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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 | in_recoord | stage | position | program | type |
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5044 |
1gb1 ![]() ![]() |
cing | recoord | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name Start of MODEL 1 Raw file had 423 H/Q atoms Entry Start of MODEL 1 1 1H MET 1 HT3 MET 1 -13.516 2.133 3.809 2 2H MET 1 HT2 MET 1 -14.346 1.281 2.598 3 3H MET 1 HT1 MET 1 -15.022 1.427 4.149 4 HA MET 1 HA MET 1 -13.926 -0.320 4.920 5 1HB MET 1 HB2 MET 1 -12.800 -0.765 2.161 6 2HB MET 1 HB1 MET 1 -13.329 -1.964 3.335 7 1HG MET 1 HG2 MET 1 -15.174 -1.969 1.991 8 2HG MET 1 HG1 MET 1 -15.634 -0.696 3.089 9 1HE MET 1 HE3 MET 1 -17.376 0.387 1.918 10 2HE MET 1 HE2 MET 1 -17.416 0.766 0.196 11 3HE MET 1 HE1 MET 1 -17.359 -0.914 0.728 12 H THR 2 HN THR 2 -11.625 -1.573 4.628 13 HA THR 2 HA THR 2 -9.458 0.459 4.511 14 HB THR 2 HB THR 2 -9.743 -1.444 6.870 15 HG1 THR 2 HG1 THR 2 -10.535 1.235 6.354 16 1HG2 THR 2 HG22 THR 2 -7.507 -0.134 6.077 17 2HG2 THR 2 HG21 THR 2 -8.319 1.188 6.912 18 3HG2 THR 2 HG23 THR 2 -7.930 -0.295 7.779 19 OH TYR 3 OH TYR 3 -11.615 0.333 -0.828 20 H TYR 3 HN TYR 3 -7.815 -0.317 3.337 21 HA TYR 3 HA TYR 3 -7.683 -3.267 2.883 22 1HB TYR 3 HB2 TYR 3 -6.094 -1.227 1.347 23 2HB TYR 3 HB1 TYR 3 -6.624 -2.820 0.834 24 HD1 TYR 3 HD1 TYR 3 -7.909 0.560 1.761 25 HD2 TYR 3 HD2 TYR 3 -8.690 -3.078 -0.293 26 HE1 TYR 3 HE1 TYR 3 -9.945 1.535 0.804 27 HE2 TYR 3 HE2 TYR 3 -10.724 -2.103 -1.251 28 HH TYR 3 HH TYR 3 -12.046 -0.341 -1.359 29 H LYS 4 HN LYS 4 -5.591 -4.320 2.908 30 HA LYS 4 HA LYS 4 -3.784 -3.101 4.949 31 1HB LYS 4 HB2 LYS 4 -4.922 -5.531 5.007 32 2HB LYS 4 HB1 LYS 4 -3.492 -5.937 4.078 33 1HG LYS 4 HG2 LYS 4 -2.293 -4.500 6.012 34 2HG LYS 4 HG1 LYS 4 -3.699 -5.041 6.919 35 1HD LYS 4 HD2 LYS 4 -1.801 -6.858 5.393 36 2HD LYS 4 HD1 LYS 4 -1.798 -6.626 7.137 37 1HE LYS 4 HE2 LYS 4 -3.279 -8.335 7.237 38 2HE LYS 4 HE1 LYS 4 -4.461 -7.219 6.567 39 1HZ LYS 4 HZ3 LYS 4 -2.729 -8.397 4.599 40 2HZ LYS 4 HZ2 LYS 4 -3.688 -9.528 5.428 41 3HZ LYS 4 HZ1 LYS 4 -4.420 -8.235 4.606 42 H LEU 5 HN LEU 5 -1.849 -2.348 4.290 43 HA LEU 5 HA LEU 5 -0.987 -2.958 1.538 44 1HB LEU 5 HB2 LEU 5 -0.732 -0.652 1.988 45 2HB LEU 5 HB1 LEU 5 -0.194 -0.936 3.637 46 HG LEU 5 HG LEU 5 2.009 -1.741 2.803 47 1HD1 LEU 5 HD13 LEU 5 0.608 -1.930 0.296 48 2HD1 LEU 5 HD12 LEU 5 1.922 -0.791 0.108 49 3HD1 LEU 5 HD11 LEU 5 2.250 -2.428 0.653 50 1HD2 LEU 5 HD23 LEU 5 1.591 0.681 3.256 51 2HD2 LEU 5 HD22 LEU 5 2.834 0.415 2.039 52 3HD2 LEU 5 HD21 LEU 5 1.217 0.899 1.551 53 H ILE 6 HN ILE 6 1.037 -3.850 1.038 54 HA ILE 6 HA ILE 6 2.492 -5.166 3.248 55 HB ILE 6 HB ILE 6 1.766 -6.318 0.553 56 1HG1 ILE 6 HG12 ILE 6 1.279 -7.557 3.253 57 2HG1 ILE 6 HG11 ILE 6 0.184 -6.315 2.660 58 1HG2 ILE 6 HG22 ILE 6 3.907 -6.984 2.510 59 2HG2 ILE 6 HG21 ILE 6 2.995 -8.344 1.864 60 3HG2 ILE 6 HG23 ILE 6 3.853 -7.261 0.773 61 1HD1 ILE 6 HD2 ILE 6 0.919 -8.566 0.818 62 2HD1 ILE 6 HD1 ILE 6 -0.250 -8.875 2.098 63 3HD1 ILE 6 HD3 ILE 6 -0.569 -7.630 0.895 64 H LEU 7 HN LEU 7 4.253 -3.876 3.347 65 HA LEU 7 HA LEU 7 5.485 -2.786 0.941 66 1HB LEU 7 HB2 LEU 7 6.250 -2.720 3.854 67 2HB LEU 7 HB1 LEU 7 7.212 -1.953 2.596 68 HG LEU 7 HG LEU 7 4.351 -1.323 2.401 69 1HD1 LEU 7 HD13 LEU 7 5.929 -0.452 4.848 70 2HD1 LEU 7 HD12 LEU 7 4.370 0.210 4.366 71 3HD1 LEU 7 HD11 LEU 7 4.498 -1.477 4.855 72 1HD2 LEU 7 HD22 LEU 7 6.161 -0.174 1.150 73 2HD2 LEU 7 HD21 LEU 7 5.279 0.956 2.172 74 3HD2 LEU 7 HD23 LEU 7 6.861 0.368 2.671 75 H ASN 8 HN ASN 8 6.677 -4.016 -0.363 76 HA ASN 8 HA ASN 8 8.345 -6.167 0.850 77 1HB ASN 8 HB2 ASN 8 6.817 -5.873 -1.617 78 2HB ASN 8 HB1 ASN 8 8.456 -6.402 -1.931 79 1HD2 ASN 8 HD22 ASN 8 5.904 -9.117 -0.812 80 2HD2 ASN 8 HD21 ASN 8 5.566 -7.692 -1.659 81 H GLY 9 HN GLY 9 9.144 -3.481 1.136 82 1HA GLY 9 HA2 GLY 9 10.910 -2.541 -0.874 83 2HA GLY 9 HA1 GLY 9 11.044 -2.131 0.827 84 H LYS 10 HN LYS 10 13.017 -2.913 -1.331 85 HA LYS 10 HA LYS 10 14.119 -5.478 -0.577 86 1HB LYS 10 HB2 LYS 10 14.594 -4.446 -2.766 87 2HB LYS 10 HB1 LYS 10 15.436 -3.125 -1.963 88 1HG LYS 10 HG2 LYS 10 17.206 -4.510 -1.264 89 2HG LYS 10 HG1 LYS 10 16.249 -5.977 -1.432 90 1HD LYS 10 HD2 LYS 10 16.617 -6.119 -3.699 91 2HD LYS 10 HD1 LYS 10 16.646 -4.372 -3.908 92 1HE LYS 10 HE2 LYS 10 18.854 -5.747 -2.388 93 2HE LYS 10 HE1 LYS 10 18.886 -5.711 -4.146 94 1HZ LYS 10 HZ1 LYS 10 18.318 -3.175 -2.887 95 2HZ LYS 10 HZ3 LYS 10 19.871 -3.788 -2.580 96 3HZ LYS 10 HZ2 LYS 10 19.356 -3.543 -4.179 97 H THR 11 HN THR 11 14.444 -2.222 0.557 98 HA THR 11 HA THR 11 16.630 -3.038 2.407 99 HB THR 11 HB THR 11 16.498 -0.380 2.795 100 HG1 THR 11 HG1 THR 11 14.683 -0.126 1.501 101 1HG2 THR 11 HG21 THR 11 18.419 -1.646 1.692 102 2HG2 THR 11 HG23 THR 11 17.537 -1.518 0.173 103 3HG2 THR 11 HG22 THR 11 18.107 -0.064 0.985 104 H LEU 12 HN LEU 12 13.295 -2.682 2.297 105 HA LEU 12 HA LEU 12 13.118 -2.909 5.209 106 1HB LEU 12 HB2 LEU 12 13.391 -0.419 4.767 107 2HB LEU 12 HB1 LEU 12 11.838 -0.480 3.948 108 HG LEU 12 HG LEU 12 10.826 -1.448 6.042 109 1HD1 LEU 12 HD11 LEU 12 13.672 -1.234 6.899 110 2HD1 LEU 12 HD13 LEU 12 12.474 -0.724 8.082 111 3HD1 LEU 12 HD12 LEU 12 12.424 -2.356 7.425 112 1HD2 LEU 12 HD22 LEU 12 10.704 0.976 5.521 113 2HD2 LEU 12 HD21 LEU 12 10.801 0.698 7.257 114 3HD2 LEU 12 HD23 LEU 12 12.226 1.228 6.369 115 H LYS 13 HN LYS 13 11.475 -4.231 5.639 116 HA LYS 13 HA LYS 13 9.199 -4.356 3.693 117 1HB LYS 13 HB2 LYS 13 10.254 -6.556 5.485 118 2HB LYS 13 HB1 LYS 13 8.940 -6.709 4.326 119 1HG LYS 13 HG2 LYS 13 10.388 -6.991 2.611 120 2HG LYS 13 HG1 LYS 13 11.310 -5.567 3.076 121 1HD LYS 13 HD2 LYS 13 12.484 -6.892 4.807 122 2HD LYS 13 HD1 LYS 13 11.561 -8.316 4.342 123 1HE LYS 13 HE2 LYS 13 13.603 -8.538 3.154 124 2HE LYS 13 HE1 LYS 13 12.477 -7.906 1.959 125 1HZ LYS 13 HZ3 LYS 13 13.754 -5.824 3.429 126 2HZ LYS 13 HZ2 LYS 13 14.883 -6.825 2.649 127 3HZ LYS 13 HZ1 LYS 13 13.660 -6.064 1.750 128 H GLY 14 HN GLY 14 7.158 -4.132 4.480 129 1HA GLY 14 HA2 GLY 14 6.598 -4.449 7.337 130 2HA GLY 14 HA1 GLY 14 6.533 -2.779 6.784 131 H GLU 15 HN GLU 15 4.269 -2.917 7.443 132 HA GLU 15 HA GLU 15 2.510 -3.299 5.239 133 1HB GLU 15 HB2 GLU 15 1.159 -5.193 6.372 134 2HB GLU 15 HB1 GLU 15 2.632 -5.647 5.525 135 1HG GLU 15 HG2 GLU 15 3.713 -6.228 7.452 136 2HG GLU 15 HG1 GLU 15 3.025 -4.882 8.356 137 H THR 16 HN THR 16 0.779 -2.009 5.612 138 HA THR 16 HA THR 16 -0.164 -1.629 8.399 139 HB THR 16 HB THR 16 1.622 0.144 7.936 140 HG1 THR 16 HG1 THR 16 0.100 0.595 9.457 141 1HG2 THR 16 HG23 THR 16 0.458 0.416 5.482 142 2HG2 THR 16 HG22 THR 16 -0.445 1.629 6.385 143 3HG2 THR 16 HG21 THR 16 1.309 1.735 6.279 144 H THR 17 HN THR 17 -2.269 -0.690 8.531 145 HA THR 17 HA THR 17 -3.811 -1.027 5.999 146 HB THR 17 HB THR 17 -5.675 -1.677 7.331 147 HG1 THR 17 HG1 THR 17 -5.993 -0.607 9.148 148 1HG2 THR 17 HG21 THR 17 -3.286 -2.973 7.872 149 2HG2 THR 17 HG23 THR 17 -3.787 -2.448 9.475 150 3HG2 THR 17 HG22 THR 17 -4.846 -3.473 8.513 151 H THR 18 HN THR 18 -5.002 0.591 5.161 152 HA THR 18 HA THR 18 -5.140 3.159 6.695 153 HB THR 18 HB THR 18 -3.462 3.036 4.659 154 HG1 THR 18 HG1 THR 18 -5.531 4.984 4.706 155 1HG2 THR 18 HG21 THR 18 -5.495 2.115 3.203 156 2HG2 THR 18 HG23 THR 18 -5.961 3.812 3.164 157 3HG2 THR 18 HG22 THR 18 -4.403 3.311 2.514 158 H GLU 19 HN GLU 19 -7.033 4.320 6.511 159 HA GLU 19 HA GLU 19 -9.346 2.801 5.493 160 1HB GLU 19 HB2 GLU 19 -8.889 4.855 7.491 161 2HB GLU 19 HB1 GLU 19 -10.224 5.296 6.432 162 1HG GLU 19 HG2 GLU 19 -11.260 3.075 6.822 163 2HG GLU 19 HG1 GLU 19 -9.931 2.650 7.897 164 H ALA 20 HN ALA 20 -10.128 3.108 3.508 165 HA ALA 20 HA ALA 20 -9.912 5.810 2.274 166 1HB ALA 20 HB1 ALA 20 -8.578 3.346 1.381 167 2HB ALA 20 HB3 ALA 20 -9.492 4.161 0.116 168 3HB ALA 20 HB2 ALA 20 -8.222 5.022 0.981 169 H VAL 21 HN VAL 21 -11.476 6.219 0.646 170 HA VAL 21 HA VAL 21 -13.937 4.637 1.017 171 HB VAL 21 HB VAL 21 -14.380 6.943 1.069 172 1HG1 VAL 21 HG11 VAL 21 -12.445 7.095 -1.259 173 2HG1 VAL 21 HG13 VAL 21 -13.470 8.449 -0.793 174 3HG1 VAL 21 HG12 VAL 21 -12.270 7.824 0.334 175 1HG2 VAL 21 HG23 VAL 21 -15.695 5.522 -0.696 176 2HG2 VAL 21 HG22 VAL 21 -15.853 7.275 -0.741 177 3HG2 VAL 21 HG21 VAL 21 -14.787 6.457 -1.879 178 H ASP 22 HN ASP 22 -11.495 5.198 -1.402 179 HA ASP 22 HA ASP 22 -12.768 3.107 -3.088 180 1HB ASP 22 HB2 ASP 22 -12.079 4.602 -5.106 181 2HB ASP 22 HB1 ASP 22 -13.561 4.995 -4.240 182 H ALA 23 HN ALA 23 -11.179 2.654 -5.018 183 HA ALA 23 HA ALA 23 -8.660 1.859 -3.795 184 1HB ALA 23 HB2 ALA 23 -9.938 1.515 -6.485 185 2HB ALA 23 HB1 ALA 23 -8.219 1.183 -6.304 186 3HB ALA 23 HB3 ALA 23 -9.395 0.286 -5.347 187 H ALA 24 HN ALA 24 -9.643 4.221 -6.235 188 HA ALA 24 HA ALA 24 -7.105 5.081 -7.096 189 1HB ALA 24 HB3 ALA 24 -9.676 5.886 -7.567 190 2HB ALA 24 HB2 ALA 24 -9.049 7.253 -6.651 191 3HB ALA 24 HB1 ALA 24 -8.250 6.749 -8.137 192 H THR 25 HN THR 25 -9.040 6.436 -4.429 193 HA THR 25 HA THR 25 -6.972 8.213 -3.535 194 HB THR 25 HB THR 25 -9.544 8.170 -2.914 195 HG1 THR 25 HG1 THR 25 -8.885 9.550 -1.365 196 1HG2 THR 25 HG21 THR 25 -9.082 5.841 -1.709 197 2HG2 THR 25 HG23 THR 25 -8.422 6.869 -0.441 198 3HG2 THR 25 HG22 THR 25 -10.107 7.038 -0.924 199 H ALA 26 HN ALA 26 -7.615 4.842 -2.980 200 HA ALA 26 HA ALA 26 -5.958 4.560 -0.631 201 1HB ALA 26 HB2 ALA 26 -7.675 2.888 -1.306 202 2HB ALA 26 HB1 ALA 26 -6.681 2.467 -2.696 203 3HB ALA 26 HB3 ALA 26 -6.090 2.158 -1.067 204 H GLU 27 HN GLU 27 -5.386 4.261 -4.101 205 HA GLU 27 HA GLU 27 -2.737 3.228 -3.977 206 1HB GLU 27 HB2 GLU 27 -4.125 4.984 -6.010 207 2HB GLU 27 HB1 GLU 27 -2.511 4.334 -6.251 208 1HG GLU 27 HG2 GLU 27 -3.461 2.026 -5.848 209 2HG GLU 27 HG1 GLU 27 -5.065 2.753 -5.841 210 H LYS 28 HN LYS 28 -3.984 6.518 -3.819 211 HA LYS 28 HA LYS 28 -1.306 7.700 -3.784 212 1HB LYS 28 HB2 LYS 28 -4.033 8.887 -3.222 213 2HB LYS 28 HB1 LYS 28 -2.543 9.816 -3.329 214 1HG LYS 28 HG2 LYS 28 -2.470 9.668 -5.606 215 2HG LYS 28 HG1 LYS 28 -2.984 7.986 -5.603 216 1HD LYS 28 HD2 LYS 28 -4.706 9.402 -6.654 217 2HD LYS 28 HD1 LYS 28 -5.321 8.706 -5.161 218 1HE LYS 28 HE2 LYS 28 -5.219 10.742 -4.016 219 2HE LYS 28 HE1 LYS 28 -3.962 11.386 -5.063 220 1HZ LYS 28 HZ2 LYS 28 -6.128 10.911 -6.694 221 2HZ LYS 28 HZ1 LYS 28 -6.771 11.623 -5.292 222 3HZ LYS 28 HZ3 LYS 28 -5.551 12.419 -6.166 223 H VAL 29 HN VAL 29 -3.858 7.046 -1.425 224 HA VAL 29 HA VAL 29 -2.704 8.319 0.820 225 HB VAL 29 HB VAL 29 -4.430 5.860 0.566 226 1HG1 VAL 29 HG11 VAL 29 -3.225 7.156 3.009 227 2HG1 VAL 29 HG13 VAL 29 -4.776 6.328 3.105 228 3HG1 VAL 29 HG12 VAL 29 -3.335 5.443 2.617 229 1HG2 VAL 29 HG23 VAL 29 -5.154 8.355 0.115 230 2HG2 VAL 29 HG22 VAL 29 -6.197 7.313 1.078 231 3HG2 VAL 29 HG21 VAL 29 -5.140 8.475 1.872 232 H PHE 30 HN PHE 30 -2.408 4.887 -0.111 233 HA PHE 30 HA PHE 30 -0.421 4.289 1.861 234 1HB PHE 30 HB2 PHE 30 -1.333 2.971 -0.677 235 2HB PHE 30 HB1 PHE 30 0.133 2.394 0.105 236 HD1 PHE 30 HD1 PHE 30 -0.202 2.218 2.844 237 HD2 PHE 30 HD2 PHE 30 -3.279 1.820 -0.081 238 HE1 PHE 30 HE1 PHE 30 -1.570 0.951 4.442 239 HE2 PHE 30 HE2 PHE 30 -4.621 0.544 1.526 240 HZ PHE 30 HZ PHE 30 -3.767 0.085 3.776 241 H LYS 31 HN LYS 31 -0.153 5.199 -1.563 242 HA LYS 31 HA LYS 31 2.645 4.983 -1.838 243 1HB LYS 31 HB2 LYS 31 1.156 5.496 -3.726 244 2HB LYS 31 HB1 LYS 31 0.821 7.080 -3.036 245 1HG LYS 31 HG2 LYS 31 2.767 7.937 -3.825 246 2HG LYS 31 HG1 LYS 31 3.691 6.560 -3.237 247 1HD LYS 31 HD2 LYS 31 3.134 5.256 -5.195 248 2HD LYS 31 HD1 LYS 31 1.973 6.464 -5.734 249 1HE LYS 31 HE2 LYS 31 4.879 7.175 -5.318 250 2HE LYS 31 HE1 LYS 31 4.326 6.477 -6.835 251 1HZ LYS 31 HZ1 LYS 31 2.648 8.295 -6.912 252 2HZ LYS 31 HZ3 LYS 31 3.438 9.012 -5.590 253 3HZ LYS 31 HZ2 LYS 31 4.260 8.809 -7.062 254 H GLN 32 HN GLN 32 0.702 7.550 -0.434 255 HA GLN 32 HA GLN 32 2.857 9.407 -0.038 256 1HB GLN 32 HB2 GLN 32 0.358 9.894 0.095 257 2HB GLN 32 HB1 GLN 32 0.387 9.152 1.691 258 1HG GLN 32 HG2 GLN 32 0.788 11.370 2.269 259 2HG GLN 32 HG1 GLN 32 2.444 10.814 2.043 260 1HE2 GLN 32 HE22 GLN 32 2.955 13.324 -0.356 261 2HE2 GLN 32 HE21 GLN 32 3.527 12.493 1.010 262 OH TYR 33 OH TYR 33 4.779 2.613 8.148 263 H TYR 33 HN TYR 33 1.733 6.613 1.695 264 HA TYR 33 HA TYR 33 3.251 7.198 4.117 265 1HB TYR 33 HB2 TYR 33 1.249 5.829 4.298 266 2HB TYR 33 HB1 TYR 33 1.900 4.670 3.144 267 HD1 TYR 33 HD1 TYR 33 3.971 3.361 3.759 268 HD2 TYR 33 HD2 TYR 33 1.896 5.745 6.605 269 HE1 TYR 33 HE1 TYR 33 5.102 2.173 5.577 270 HE2 TYR 33 HE2 TYR 33 3.028 4.554 8.426 271 HH TYR 33 HH TYR 33 4.108 2.199 8.696 272 H ALA 34 HN ALA 34 3.543 4.748 1.558 273 HA ALA 34 HA ALA 34 5.982 3.600 2.306 274 1HB ALA 34 HB1 ALA 34 4.382 3.736 -0.083 275 2HB ALA 34 HB3 ALA 34 6.085 3.871 -0.508 276 3HB ALA 34 HB2 ALA 34 5.515 2.483 0.411 277 H ASN 35 HN ASN 35 5.378 6.702 0.832 278 HA ASN 35 HA ASN 35 8.062 7.263 -0.016 279 1HB ASN 35 HB2 ASN 35 5.981 8.536 -0.689 280 2HB ASN 35 HB1 ASN 35 6.005 9.283 0.906 281 1HD2 ASN 35 HD22 ASN 35 8.397 11.659 -0.051 282 2HD2 ASN 35 HD21 ASN 35 7.151 11.202 1.008 283 H ASP 36 HN ASP 36 6.386 7.614 3.043 284 HA ASP 36 HA ASP 36 8.416 9.221 4.324 285 1HB ASP 36 HB2 ASP 36 6.131 7.534 5.316 286 2HB ASP 36 HB1 ASP 36 7.275 8.249 6.449 287 H ASN 37 HN ASN 37 8.754 6.270 3.073 288 HA ASN 37 HA ASN 37 10.766 5.462 5.138 289 1HB ASN 37 HB2 ASN 37 8.878 3.654 3.609 290 2HB ASN 37 HB1 ASN 37 10.214 3.084 4.604 291 1HD2 ASN 37 HD22 ASN 37 6.985 4.836 6.465 292 2HD2 ASN 37 HD21 ASN 37 7.340 5.249 4.857 293 H GLY 38 HN GLY 38 9.864 5.736 1.797 294 1HA GLY 38 HA2 GLY 38 11.549 6.156 0.090 295 2HA GLY 38 HA1 GLY 38 12.703 5.236 1.049 296 H VAL 39 HN VAL 39 9.419 4.537 -0.128 297 HA VAL 39 HA VAL 39 10.520 2.124 -1.523 298 HB VAL 39 HB VAL 39 7.837 2.261 -0.125 299 1HG1 VAL 39 HG13 VAL 39 8.078 0.617 -1.983 300 2HG1 VAL 39 HG12 VAL 39 9.495 -0.056 -1.186 301 3HG1 VAL 39 HG11 VAL 39 7.913 -0.185 -0.425 302 1HG2 VAL 39 HG23 VAL 39 10.527 1.217 0.813 303 2HG2 VAL 39 HG22 VAL 39 9.518 2.427 1.599 304 3HG2 VAL 39 HG21 VAL 39 9.003 0.743 1.556 305 H ASP 40 HN ASP 40 10.492 3.081 -3.551 306 HA ASP 40 HA ASP 40 7.763 3.626 -4.648 307 1HB ASP 40 HB2 ASP 40 10.276 5.214 -5.242 308 2HB ASP 40 HB1 ASP 40 8.705 5.464 -6.001 309 H GLY 41 HN GLY 41 7.358 2.180 -6.181 310 1HA GLY 41 HA2 GLY 41 9.164 1.755 -8.401 311 2HA GLY 41 HA1 GLY 41 9.152 0.363 -7.320 312 H GLU 42 HN GLU 42 7.623 -1.124 -7.656 313 HA GLU 42 HA GLU 42 5.417 -0.463 -9.544 314 1HB GLU 42 HB2 GLU 42 6.286 -3.157 -8.500 315 2HB GLU 42 HB1 GLU 42 5.185 -2.857 -9.837 316 1HG GLU 42 HG2 GLU 42 7.565 -1.381 -10.368 317 2HG GLU 42 HG1 GLU 42 8.058 -3.005 -9.896 318 CH2 TRP 43 CH2 TRP 43 2.205 2.421 -2.224 319 H TRP 43 HN TRP 43 3.261 -0.889 -9.016 320 HA TRP 43 HA TRP 43 2.734 -1.406 -6.112 321 1HB TRP 43 HB2 TRP 43 1.636 0.687 -7.958 322 2HB TRP 43 HB1 TRP 43 0.710 0.160 -6.562 323 HD1 TRP 43 HD1 TRP 43 4.251 1.453 -7.418 324 HE1 TRP 43 HE1 TRP 43 5.032 2.779 -5.396 325 HE3 TRP 43 HE3 TRP 43 0.411 0.572 -4.379 326 HZ2 TRP 43 HZ2 TRP 43 4.091 3.327 -2.639 327 HZ3 TRP 43 HZ3 TRP 43 0.330 1.415 -2.085 328 HH2 TRP 43 HH2 TRP 43 2.169 2.784 -1.207 329 H THR 44 HN THR 44 1.179 -2.834 -5.639 330 HA THR 44 HA THR 44 -0.443 -3.923 -7.912 331 HB THR 44 HB THR 44 -0.343 -6.115 -6.472 332 HG1 THR 44 HG1 THR 44 0.594 -4.787 -4.734 333 1HG2 THR 44 HG22 THR 44 2.203 -5.006 -7.722 334 2HG2 THR 44 HG21 THR 44 1.896 -6.704 -7.374 335 3HG2 THR 44 HG23 THR 44 0.948 -5.873 -8.603 336 OH TYR 45 OH TYR 45 -8.900 -1.276 -3.148 337 H TYR 45 HN TYR 45 -2.432 -5.035 -7.188 338 HA TYR 45 HA TYR 45 -3.583 -3.964 -4.655 339 1HB TYR 45 HB2 TYR 45 -4.083 -2.510 -6.745 340 2HB TYR 45 HB1 TYR 45 -5.106 -3.849 -7.271 341 HD1 TYR 45 HD1 TYR 45 -6.628 -4.725 -4.955 342 HD2 TYR 45 HD2 TYR 45 -5.349 -0.783 -5.889 343 HE1 TYR 45 HE1 TYR 45 -8.385 -3.818 -3.530 344 HE2 TYR 45 HE2 TYR 45 -7.152 0.120 -4.512 345 HH TYR 45 HH TYR 45 -9.628 -1.036 -3.727 346 H ASP 46 HN ASP 46 -4.591 -5.567 -3.598 347 HA ASP 46 HA ASP 46 -5.324 -8.037 -5.119 348 1HB ASP 46 HB2 ASP 46 -3.689 -8.069 -3.109 349 2HB ASP 46 HB1 ASP 46 -5.128 -7.833 -2.124 350 H ASP 47 HN ASP 47 -7.290 -6.761 -5.781 351 HA ASP 47 HA ASP 47 -9.270 -5.999 -3.846 352 1HB ASP 47 HB2 ASP 47 -9.140 -5.323 -6.314 353 2HB ASP 47 HB1 ASP 47 -9.869 -6.887 -6.670 354 H ALA 48 HN ALA 48 -8.062 -8.959 -4.296 355 HA ALA 48 HA ALA 48 -10.594 -10.468 -4.277 356 1HB ALA 48 HB1 ALA 48 -8.046 -11.069 -5.129 357 2HB ALA 48 HB3 ALA 48 -8.138 -11.923 -3.591 358 3HB ALA 48 HB2 ALA 48 -9.321 -12.252 -4.853 359 H THR 49 HN THR 49 -8.339 -9.154 -2.026 360 HA THR 49 HA THR 49 -9.977 -10.243 0.195 361 HB THR 49 HB THR 49 -7.913 -10.943 1.450 362 HG1 THR 49 HG1 THR 49 -6.624 -9.425 0.205 363 1HG2 THR 49 HG23 THR 49 -9.113 -12.519 -0.301 364 2HG2 THR 49 HG22 THR 49 -7.702 -12.181 -1.298 365 3HG2 THR 49 HG21 THR 49 -7.506 -12.961 0.269 366 H LYS 50 HN LYS 50 -9.138 -7.610 -1.210 367 HA LYS 50 HA LYS 50 -8.753 -5.394 -0.549 368 1HB LYS 50 HB2 LYS 50 -9.614 -6.403 2.173 369 2HB LYS 50 HB1 LYS 50 -9.677 -4.742 1.597 370 1HG LYS 50 HG2 LYS 50 -11.310 -5.358 -0.120 371 2HG LYS 50 HG1 LYS 50 -11.189 -7.054 0.334 372 1HD LYS 50 HD2 LYS 50 -11.774 -5.302 2.616 373 2HD LYS 50 HD1 LYS 50 -13.019 -5.248 1.372 374 1HE LYS 50 HE2 LYS 50 -13.390 -7.061 3.076 375 2HE LYS 50 HE1 LYS 50 -13.259 -7.667 1.429 376 1HZ LYS 50 HZ2 LYS 50 -10.975 -7.548 3.310 377 2HZ LYS 50 HZ1 LYS 50 -11.959 -8.918 3.115 378 3HZ LYS 50 HZ3 LYS 50 -11.040 -8.339 1.809 379 H THR 51 HN THR 51 -6.450 -6.474 -0.833 380 HA THR 51 HA THR 51 -4.869 -5.634 1.565 381 HB THR 51 HB THR 51 -4.041 -8.035 -0.093 382 HG1 THR 51 HG1 THR 51 -5.943 -7.734 1.980 383 1HG2 THR 51 HG23 THR 51 -2.781 -6.748 1.968 384 2HG2 THR 51 HG22 THR 51 -3.776 -7.893 2.855 385 3HG2 THR 51 HG21 THR 51 -2.617 -8.471 1.667 386 H PHE 52 HN PHE 52 -3.710 -3.885 0.812 387 HA PHE 52 HA PHE 52 -3.028 -3.656 -2.013 388 1HB PHE 52 HB2 PHE 52 -3.081 -1.931 0.292 389 2HB PHE 52 HB1 PHE 52 -1.543 -1.782 -0.547 390 HD1 PHE 52 HD1 PHE 52 -1.517 -1.184 -3.001 391 HD2 PHE 52 HD2 PHE 52 -5.100 -1.208 -0.742 392 HE1 PHE 52 HE1 PHE 52 -2.650 0.111 -4.763 393 HE2 PHE 52 HE2 PHE 52 -6.185 0.201 -2.408 394 HZ PHE 52 HZ PHE 52 -4.948 0.904 -4.406 395 H THR 53 HN THR 53 -0.740 -3.357 -2.711 396 HA THR 53 HA THR 53 1.345 -4.367 -0.924 397 HB THR 53 HB THR 53 0.440 -6.027 -3.305 398 HG1 THR 53 HG1 THR 53 -0.164 -7.375 -1.681 399 1HG2 THR 53 HG21 THR 53 2.889 -6.097 -1.529 400 2HG2 THR 53 HG23 THR 53 2.229 -7.590 -2.190 401 3HG2 THR 53 HG22 THR 53 2.808 -6.328 -3.273 402 H VAL 54 HN VAL 54 3.309 -3.640 -1.523 403 HA VAL 54 HA VAL 54 3.655 -2.626 -4.310 404 HB VAL 54 HB VAL 54 3.081 -0.740 -2.722 405 1HG1 VAL 54 HG11 VAL 54 4.296 -1.856 -0.795 406 2HG1 VAL 54 HG13 VAL 54 5.801 -1.322 -1.535 407 3HG1 VAL 54 HG12 VAL 54 4.616 -0.140 -0.990 408 1HG2 VAL 54 HG21 VAL 54 5.823 -0.825 -4.008 409 2HG2 VAL 54 HG23 VAL 54 4.344 -0.164 -4.682 410 3HG2 VAL 54 HG22 VAL 54 5.130 0.641 -3.333 411 H THR 55 HN THR 55 5.834 -2.675 -5.019 412 HA THR 55 HA THR 55 7.798 -3.968 -3.196 413 HB THR 55 HB THR 55 7.253 -5.044 -5.992 414 HG1 THR 55 HG1 THR 55 6.394 -5.810 -3.387 415 1HG2 THR 55 HG23 THR 55 9.261 -5.561 -3.949 416 2HG2 THR 55 HG22 THR 55 8.233 -6.977 -4.161 417 3HG2 THR 55 HG21 THR 55 9.100 -6.303 -5.533 418 H GLU 56 HN GLU 56 9.491 -2.604 -3.243 419 HA GLU 56 HA GLU 56 10.000 -0.687 -5.287 420 1HB GLU 56 HB2 GLU 56 11.060 -1.245 -2.796 421 2HB GLU 56 HB1 GLU 56 12.401 -1.598 -3.876 422 1HG GLU 56 HG2 GLU 56 11.996 0.639 -4.981 423 2HG GLU 56 HG1 GLU 56 10.814 0.986 -3.722 Start of MODEL 2 Raw file had 423 H/Q atoms Entry Start of MODEL 2 1 1H MET 1 HT1 MET 1 -13.001 1.616 2.047 2 2H MET 1 HT3 MET 1 -13.475 0.295 1.091 3 3H MET 1 HT2 MET 1 -14.604 1.061 2.102 4 HA MET 1 HA MET 1 -13.866 0.058 3.969 5 1HB MET 1 HB2 MET 1 -13.420 -1.683 1.610 6 2HB MET 1 HB1 MET 1 -12.697 -2.233 3.117 7 1HG MET 1 HG2 MET 1 -15.587 -1.425 2.747 8 2HG MET 1 HG1 MET 1 -15.013 -3.071 2.793 9 1HE MET 1 HE3 MET 1 -13.407 -3.794 4.778 10 2HE MET 1 HE2 MET 1 -14.246 -3.894 6.326 11 3HE MET 1 HE1 MET 1 -15.014 -4.514 4.863 12 H THR 2 HN THR 2 -11.932 -1.334 4.918 13 HA THR 2 HA THR 2 -9.520 0.375 4.589 14 HB THR 2 HB THR 2 -9.847 -1.692 6.772 15 HG1 THR 2 HG1 THR 2 -10.828 0.972 6.773 16 1HG2 THR 2 HG23 THR 2 -7.820 0.037 6.293 17 2HG2 THR 2 HG22 THR 2 -8.911 1.125 7.145 18 3HG2 THR 2 HG21 THR 2 -8.341 -0.343 7.931 19 OH TYR 3 OH TYR 3 -11.419 0.430 -0.991 20 H TYR 3 HN TYR 3 -7.908 -0.374 3.357 21 HA TYR 3 HA TYR 3 -7.758 -3.310 2.854 22 1HB TYR 3 HB2 TYR 3 -6.054 -1.253 1.463 23 2HB TYR 3 HB1 TYR 3 -6.573 -2.829 0.883 24 HD1 TYR 3 HD1 TYR 3 -7.737 0.610 1.636 25 HD2 TYR 3 HD2 TYR 3 -8.709 -3.106 -0.189 26 HE1 TYR 3 HE1 TYR 3 -9.696 1.640 0.584 27 HE2 TYR 3 HE2 TYR 3 -10.669 -2.076 -1.242 28 HH TYR 3 HH TYR 3 -11.190 0.648 -1.897 29 H LYS 4 HN LYS 4 -5.415 -4.115 2.588 30 HA LYS 4 HA LYS 4 -3.793 -3.073 4.876 31 1HB LYS 4 HB2 LYS 4 -4.971 -5.379 5.081 32 2HB LYS 4 HB1 LYS 4 -3.765 -5.931 3.946 33 1HG LYS 4 HG2 LYS 4 -2.344 -4.463 5.926 34 2HG LYS 4 HG1 LYS 4 -3.477 -5.492 6.789 35 1HD LYS 4 HD2 LYS 4 -1.607 -6.480 4.604 36 2HD LYS 4 HD1 LYS 4 -1.253 -6.588 6.322 37 1HE LYS 4 HE2 LYS 4 -3.920 -7.626 5.638 38 2HE LYS 4 HE1 LYS 4 -2.615 -8.503 4.853 39 1HZ LYS 4 HZ3 LYS 4 -2.515 -7.878 7.731 40 2HZ LYS 4 HZ2 LYS 4 -3.338 -9.246 7.155 41 3HZ LYS 4 HZ1 LYS 4 -1.673 -9.076 6.871 42 H LEU 5 HN LEU 5 -1.958 -2.189 4.164 43 HA LEU 5 HA LEU 5 -0.961 -2.879 1.501 44 1HB LEU 5 HB2 LEU 5 -0.851 -0.549 2.119 45 2HB LEU 5 HB1 LEU 5 -0.040 -0.922 3.627 46 HG LEU 5 HG LEU 5 1.948 -1.764 2.256 47 1HD1 LEU 5 HD11 LEU 5 0.346 -0.493 0.015 48 2HD1 LEU 5 HD13 LEU 5 2.026 -0.991 -0.111 49 3HD1 LEU 5 HD12 LEU 5 0.772 -2.196 0.136 50 1HD2 LEU 5 HD22 LEU 5 1.714 0.574 3.235 51 2HD2 LEU 5 HD21 LEU 5 2.814 0.431 1.869 52 3HD2 LEU 5 HD23 LEU 5 1.202 1.096 1.634 53 H ILE 6 HN ILE 6 1.076 -3.751 1.063 54 HA ILE 6 HA ILE 6 2.480 -5.053 3.312 55 HB ILE 6 HB ILE 6 1.786 -6.261 0.632 56 1HG1 ILE 6 HG12 ILE 6 1.219 -7.416 3.353 57 2HG1 ILE 6 HG11 ILE 6 0.141 -6.204 2.673 58 1HG2 ILE 6 HG21 ILE 6 3.881 -6.897 2.637 59 2HG2 ILE 6 HG23 ILE 6 2.958 -8.267 2.029 60 3HG2 ILE 6 HG22 ILE 6 3.844 -7.236 0.910 61 1HD1 ILE 6 HD3 ILE 6 0.933 -8.444 0.875 62 2HD1 ILE 6 HD2 ILE 6 -0.173 -8.836 2.188 63 3HD1 ILE 6 HD1 ILE 6 -0.608 -7.604 1.007 64 H LEU 7 HN LEU 7 4.264 -3.783 3.391 65 HA LEU 7 HA LEU 7 5.518 -2.774 0.959 66 1HB LEU 7 HB2 LEU 7 6.268 -2.656 3.876 67 2HB LEU 7 HB1 LEU 7 7.286 -1.978 2.612 68 HG LEU 7 HG LEU 7 4.419 -1.240 2.452 69 1HD1 LEU 7 HD13 LEU 7 6.223 -0.347 4.722 70 2HD1 LEU 7 HD12 LEU 7 4.787 0.543 4.228 71 3HD1 LEU 7 HD11 LEU 7 4.635 -1.096 4.854 72 1HD2 LEU 7 HD21 LEU 7 6.216 -0.338 0.967 73 2HD2 LEU 7 HD23 LEU 7 5.415 0.935 1.883 74 3HD2 LEU 7 HD22 LEU 7 7.003 0.360 2.380 75 H ASN 8 HN ASN 8 6.692 -4.046 -0.309 76 HA ASN 8 HA ASN 8 8.259 -6.251 0.944 77 1HB ASN 8 HB2 ASN 8 6.716 -5.963 -1.493 78 2HB ASN 8 HB1 ASN 8 8.342 -6.497 -1.860 79 1HD2 ASN 8 HD22 ASN 8 5.808 -9.193 -0.641 80 2HD2 ASN 8 HD21 ASN 8 5.442 -7.759 -1.463 81 H GLY 9 HN GLY 9 9.238 -3.657 1.257 82 1HA GLY 9 HA2 GLY 9 11.026 -2.779 -0.760 83 2HA GLY 9 HA1 GLY 9 11.223 -2.434 0.949 84 H LYS 10 HN LYS 10 13.042 -3.352 -1.344 85 HA LYS 10 HA LYS 10 13.990 -5.981 -0.607 86 1HB LYS 10 HB2 LYS 10 15.920 -5.455 -2.032 87 2HB LYS 10 HB1 LYS 10 14.427 -4.974 -2.830 88 1HG LYS 10 HG2 LYS 10 14.923 -2.679 -1.542 89 2HG LYS 10 HG1 LYS 10 16.578 -3.268 -1.644 90 1HD LYS 10 HD2 LYS 10 16.075 -3.708 -4.141 91 2HD LYS 10 HD1 LYS 10 14.658 -2.692 -3.907 92 1HE LYS 10 HE2 LYS 10 16.077 -0.972 -4.376 93 2HE LYS 10 HE1 LYS 10 16.614 -1.178 -2.714 94 1HZ LYS 10 HZ2 LYS 10 17.807 -2.601 -5.024 95 2HZ LYS 10 HZ1 LYS 10 18.425 -1.158 -4.373 96 3HZ LYS 10 HZ3 LYS 10 18.385 -2.568 -3.427 97 H THR 11 HN THR 11 14.270 -2.921 0.771 98 HA THR 11 HA THR 11 16.448 -3.884 2.566 99 HB THR 11 HB THR 11 16.863 -1.228 2.672 100 HG1 THR 11 HG1 THR 11 15.651 -0.356 1.178 101 1HG2 THR 11 HG21 THR 11 17.752 -3.153 0.502 102 2HG2 THR 11 HG23 THR 11 18.357 -1.501 0.581 103 3HG2 THR 11 HG22 THR 11 18.679 -2.620 1.901 104 H LEU 12 HN LEU 12 13.270 -2.954 2.279 105 HA LEU 12 HA LEU 12 13.034 -2.673 5.203 106 1HB LEU 12 HB2 LEU 12 13.537 -0.353 4.201 107 2HB LEU 12 HB1 LEU 12 11.915 -0.436 3.522 108 HG LEU 12 HG LEU 12 11.310 -1.145 6.035 109 1HD1 LEU 12 HD12 LEU 12 13.696 -1.048 6.758 110 2HD1 LEU 12 HD11 LEU 12 13.739 0.658 6.325 111 3HD1 LEU 12 HD13 LEU 12 12.699 0.109 7.635 112 1HD2 LEU 12 HD22 LEU 12 11.711 1.585 4.816 113 2HD2 LEU 12 HD21 LEU 12 10.205 0.720 5.104 114 3HD2 LEU 12 HD23 LEU 12 11.087 1.425 6.454 115 H LYS 13 HN LYS 13 11.557 -4.260 5.443 116 HA LYS 13 HA LYS 13 9.176 -4.277 3.651 117 1HB LYS 13 HB2 LYS 13 10.257 -6.360 5.559 118 2HB LYS 13 HB1 LYS 13 8.774 -6.545 4.632 119 1HG LYS 13 HG2 LYS 13 9.896 -6.840 2.648 120 2HG LYS 13 HG1 LYS 13 11.184 -5.726 3.091 121 1HD LYS 13 HD2 LYS 13 12.327 -7.358 4.354 122 2HD LYS 13 HD1 LYS 13 10.896 -8.369 4.516 123 1HE LYS 13 HE2 LYS 13 12.782 -9.015 2.776 124 2HE LYS 13 HE1 LYS 13 11.087 -9.221 2.354 125 1HZ LYS 13 HZ2 LYS 13 11.319 -6.809 1.499 126 2HZ LYS 13 HZ1 LYS 13 12.981 -7.159 1.470 127 3HZ LYS 13 HZ3 LYS 13 11.901 -8.095 0.553 128 H GLY 14 HN GLY 14 7.058 -4.401 4.558 129 1HA GLY 14 HA2 GLY 14 6.559 -4.249 7.386 130 2HA GLY 14 HA1 GLY 14 6.529 -2.632 6.689 131 H GLU 15 HN GLU 15 4.244 -2.815 7.498 132 HA GLU 15 HA GLU 15 2.450 -3.221 5.306 133 1HB GLU 15 HB2 GLU 15 1.138 -5.115 6.505 134 2HB GLU 15 HB1 GLU 15 2.580 -5.556 5.596 135 1HG GLU 15 HG2 GLU 15 3.899 -5.751 7.571 136 2HG GLU 15 HG1 GLU 15 2.711 -4.889 8.545 137 H THR 16 HN THR 16 0.665 -2.015 5.679 138 HA THR 16 HA THR 16 -0.283 -1.611 8.450 139 HB THR 16 HB THR 16 1.453 0.193 8.075 140 HG1 THR 16 HG1 THR 16 -0.412 0.466 9.393 141 1HG2 THR 16 HG21 THR 16 0.332 0.376 5.530 142 2HG2 THR 16 HG23 THR 16 -0.405 1.727 6.382 143 3HG2 THR 16 HG22 THR 16 1.347 1.607 6.269 144 H THR 17 HN THR 17 -2.418 -0.824 8.565 145 HA THR 17 HA THR 17 -3.908 -1.045 5.986 146 HB THR 17 HB THR 17 -5.769 -1.874 7.239 147 HG1 THR 17 HG1 THR 17 -6.121 -0.858 9.061 148 1HG2 THR 17 HG23 THR 17 -3.343 -3.147 7.594 149 2HG2 THR 17 HG22 THR 17 -3.816 -2.816 9.257 150 3HG2 THR 17 HG21 THR 17 -4.871 -3.762 8.213 151 H THR 18 HN THR 18 -5.152 0.581 5.261 152 HA THR 18 HA THR 18 -5.505 2.970 7.029 153 HB THR 18 HB THR 18 -3.682 3.159 5.132 154 HG1 THR 18 HG1 THR 18 -5.697 4.746 6.105 155 1HG2 THR 18 HG21 THR 18 -5.562 2.307 3.434 156 2HG2 THR 18 HG23 THR 18 -6.088 3.984 3.523 157 3HG2 THR 18 HG22 THR 18 -4.465 3.598 2.958 158 H GLU 19 HN GLU 19 -7.434 4.074 6.806 159 HA GLU 19 HA GLU 19 -9.570 2.564 5.415 160 1HB GLU 19 HB2 GLU 19 -10.153 3.104 7.650 161 2HB GLU 19 HB1 GLU 19 -9.563 4.753 7.489 162 1HG GLU 19 HG2 GLU 19 -11.433 5.448 6.286 163 2HG GLU 19 HG1 GLU 19 -11.749 3.835 5.649 164 H ALA 20 HN ALA 20 -10.275 3.168 3.482 165 HA ALA 20 HA ALA 20 -10.081 6.050 2.712 166 1HB ALA 20 HB1 ALA 20 -8.882 3.686 1.399 167 2HB ALA 20 HB3 ALA 20 -9.703 4.811 0.322 168 3HB ALA 20 HB2 ALA 20 -8.385 5.375 1.344 169 H VAL 21 HN VAL 21 -11.415 6.440 0.662 170 HA VAL 21 HA VAL 21 -14.046 5.120 1.076 171 HB VAL 21 HB VAL 21 -13.721 7.670 1.076 172 1HG1 VAL 21 HG13 VAL 21 -12.316 7.317 -1.160 173 2HG1 VAL 21 HG12 VAL 21 -13.904 7.443 -1.909 174 3HG1 VAL 21 HG11 VAL 21 -13.284 8.768 -0.929 175 1HG2 VAL 21 HG21 VAL 21 -15.705 6.378 -0.829 176 2HG2 VAL 21 HG23 VAL 21 -15.930 6.589 0.904 177 3HG2 VAL 21 HG22 VAL 21 -15.862 7.996 -0.152 178 H ASP 22 HN ASP 22 -11.430 5.224 -1.131 179 HA ASP 22 HA ASP 22 -12.847 3.346 -2.902 180 1HB ASP 22 HB2 ASP 22 -12.459 4.654 -4.937 181 2HB ASP 22 HB1 ASP 22 -13.446 5.580 -3.810 182 H ALA 23 HN ALA 23 -11.334 2.617 -4.707 183 HA ALA 23 HA ALA 23 -8.811 1.838 -3.501 184 1HB ALA 23 HB3 ALA 23 -10.215 1.316 -6.085 185 2HB ALA 23 HB2 ALA 23 -8.480 1.020 -6.018 186 3HB ALA 23 HB1 ALA 23 -9.562 0.172 -4.917 187 H ALA 24 HN ALA 24 -9.827 4.223 -5.851 188 HA ALA 24 HA ALA 24 -7.290 4.891 -6.941 189 1HB ALA 24 HB2 ALA 24 -9.909 5.868 -7.140 190 2HB ALA 24 HB1 ALA 24 -8.960 7.233 -6.561 191 3HB ALA 24 HB3 ALA 24 -8.513 6.420 -8.058 192 H THR 25 HN THR 25 -9.039 6.509 -4.289 193 HA THR 25 HA THR 25 -6.844 8.178 -3.536 194 HB THR 25 HB THR 25 -9.367 8.341 -2.816 195 HG1 THR 25 HG1 THR 25 -7.037 9.171 -1.920 196 1HG2 THR 25 HG22 THR 25 -9.014 5.980 -1.597 197 2HG2 THR 25 HG21 THR 25 -8.320 7.000 -0.341 198 3HG2 THR 25 HG23 THR 25 -9.990 7.236 -0.843 199 H ALA 26 HN ALA 26 -7.566 4.850 -2.899 200 HA ALA 26 HA ALA 26 -5.882 4.562 -0.567 201 1HB ALA 26 HB3 ALA 26 -7.633 2.903 -1.211 202 2HB ALA 26 HB2 ALA 26 -6.650 2.444 -2.597 203 3HB ALA 26 HB1 ALA 26 -6.057 2.160 -0.964 204 H GLU 27 HN GLU 27 -5.365 4.366 -4.031 205 HA GLU 27 HA GLU 27 -2.722 3.271 -3.954 206 1HB GLU 27 HB2 GLU 27 -4.211 4.966 -5.957 207 2HB GLU 27 HB1 GLU 27 -2.551 4.464 -6.231 208 1HG GLU 27 HG2 GLU 27 -3.289 2.073 -5.864 209 2HG GLU 27 HG1 GLU 27 -4.950 2.655 -5.810 210 H LYS 28 HN LYS 28 -3.952 6.578 -3.884 211 HA LYS 28 HA LYS 28 -1.267 7.739 -3.834 212 1HB LYS 28 HB2 LYS 28 -3.801 9.179 -3.068 213 2HB LYS 28 HB1 LYS 28 -2.347 9.843 -3.801 214 1HG LYS 28 HG2 LYS 28 -2.811 8.506 -5.861 215 2HG LYS 28 HG1 LYS 28 -4.306 7.935 -5.128 216 1HD LYS 28 HD2 LYS 28 -5.092 10.279 -4.921 217 2HD LYS 28 HD1 LYS 28 -3.607 10.837 -5.682 218 1HE LYS 28 HE2 LYS 28 -4.816 8.744 -7.277 219 2HE LYS 28 HE1 LYS 28 -5.984 10.024 -6.978 220 1HZ LYS 28 HZ3 LYS 28 -3.390 11.031 -7.635 221 2HZ LYS 28 HZ2 LYS 28 -4.037 10.054 -8.864 222 3HZ LYS 28 HZ1 LYS 28 -4.903 11.405 -8.309 223 H VAL 29 HN VAL 29 -3.846 7.155 -1.487 224 HA VAL 29 HA VAL 29 -2.686 8.487 0.731 225 HB VAL 29 HB VAL 29 -4.480 6.064 0.552 226 1HG1 VAL 29 HG11 VAL 29 -3.304 7.471 2.949 227 2HG1 VAL 29 HG13 VAL 29 -4.870 6.673 3.052 228 3HG1 VAL 29 HG12 VAL 29 -3.433 5.741 2.648 229 1HG2 VAL 29 HG23 VAL 29 -5.087 8.600 -0.013 230 2HG2 VAL 29 HG22 VAL 29 -6.220 7.576 0.863 231 3HG2 VAL 29 HG21 VAL 29 -5.206 8.718 1.741 232 H PHE 30 HN PHE 30 -2.550 4.997 0.006 233 HA PHE 30 HA PHE 30 -0.610 4.376 1.980 234 1HB PHE 30 HB2 PHE 30 -1.510 3.072 -0.559 235 2HB PHE 30 HB1 PHE 30 -0.041 2.479 0.205 236 HD1 PHE 30 HD1 PHE 30 -0.337 2.286 2.936 237 HD2 PHE 30 HD2 PHE 30 -3.470 1.959 0.063 238 HE1 PHE 30 HE1 PHE 30 -1.702 1.034 4.553 239 HE2 PHE 30 HE2 PHE 30 -4.809 0.693 1.681 240 HZ PHE 30 HZ PHE 30 -3.920 0.199 3.914 241 H LYS 31 HN LYS 31 -0.225 5.387 -1.397 242 HA LYS 31 HA LYS 31 2.590 5.063 -1.567 243 1HB LYS 31 HB2 LYS 31 1.134 5.603 -3.502 244 2HB LYS 31 HB1 LYS 31 0.906 7.226 -2.863 245 1HG LYS 31 HG2 LYS 31 3.359 7.612 -2.992 246 2HG LYS 31 HG1 LYS 31 3.576 5.995 -3.647 247 1HD LYS 31 HD2 LYS 31 1.894 8.183 -4.924 248 2HD LYS 31 HD1 LYS 31 3.517 7.739 -5.434 249 1HE LYS 31 HE2 LYS 31 2.432 5.301 -5.551 250 2HE LYS 31 HE1 LYS 31 0.949 6.227 -5.749 251 1HZ LYS 31 HZ3 LYS 31 2.226 7.487 -7.524 252 2HZ LYS 31 HZ2 LYS 31 3.347 6.213 -7.467 253 3HZ LYS 31 HZ1 LYS 31 1.732 5.905 -7.892 254 H GLN 32 HN GLN 32 0.634 7.650 -0.215 255 HA GLN 32 HA GLN 32 2.729 9.534 0.221 256 1HB GLN 32 HB2 GLN 32 0.270 9.986 0.504 257 2HB GLN 32 HB1 GLN 32 0.323 9.066 2.003 258 1HG GLN 32 HG2 GLN 32 2.056 10.615 2.881 259 2HG GLN 32 HG1 GLN 32 1.971 11.545 1.387 260 1HE2 GLN 32 HE22 GLN 32 -0.575 13.514 2.788 261 2HE2 GLN 32 HE21 GLN 32 0.898 13.446 1.947 262 OH TYR 33 OH TYR 33 4.999 2.869 8.437 263 H TYR 33 HN TYR 33 1.719 6.673 1.945 264 HA TYR 33 HA TYR 33 3.365 7.160 4.288 265 1HB TYR 33 HB2 TYR 33 1.385 5.661 4.339 266 2HB TYR 33 HB1 TYR 33 2.215 4.558 3.247 267 HD1 TYR 33 HD1 TYR 33 4.380 3.489 3.999 268 HD2 TYR 33 HD2 TYR 33 1.892 5.657 6.681 269 HE1 TYR 33 HE1 TYR 33 5.521 2.446 5.895 270 HE2 TYR 33 HE2 TYR 33 3.035 4.611 8.583 271 HH TYR 33 HH TYR 33 4.960 3.478 9.179 272 H ALA 34 HN ALA 34 3.630 4.656 1.781 273 HA ALA 34 HA ALA 34 6.182 3.719 2.300 274 1HB ALA 34 HB2 ALA 34 4.385 3.503 0.182 275 2HB ALA 34 HB1 ALA 34 5.843 4.152 -0.562 276 3HB ALA 34 HB3 ALA 34 5.910 2.639 0.338 277 H ASN 35 HN ASN 35 5.300 6.737 0.746 278 HA ASN 35 HA ASN 35 7.811 7.495 -0.307 279 1HB ASN 35 HB2 ASN 35 5.594 8.718 -0.559 280 2HB ASN 35 HB1 ASN 35 5.885 9.398 1.039 281 1HD2 ASN 35 HD22 ASN 35 8.165 10.635 -2.136 282 2HD2 ASN 35 HD21 ASN 35 7.233 9.223 -2.265 283 H ASP 36 HN ASP 36 6.521 7.836 2.963 284 HA ASP 36 HA ASP 36 8.778 9.297 4.004 285 1HB ASP 36 HB2 ASP 36 6.485 7.779 5.194 286 2HB ASP 36 HB1 ASP 36 7.831 8.242 6.234 287 H ASN 37 HN ASN 37 8.720 6.311 2.730 288 HA ASN 37 HA ASN 37 10.869 5.300 4.562 289 1HB ASN 37 HB2 ASN 37 8.748 3.793 3.022 290 2HB ASN 37 HB1 ASN 37 10.169 3.005 3.705 291 1HD2 ASN 37 HD22 ASN 37 7.276 4.472 6.226 292 2HD2 ASN 37 HD21 ASN 37 7.359 5.037 4.627 293 H GLY 38 HN GLY 38 9.886 6.032 1.335 294 1HA GLY 38 HA2 GLY 38 11.477 6.488 -0.425 295 2HA GLY 38 HA1 GLY 38 12.652 5.479 0.413 296 H VAL 39 HN VAL 39 9.677 3.976 0.425 297 HA VAL 39 HA VAL 39 10.584 2.053 -1.615 298 HB VAL 39 HB VAL 39 8.185 2.066 0.235 299 1HG1 VAL 39 HG11 VAL 39 9.144 0.115 -1.866 300 2HG1 VAL 39 HG13 VAL 39 8.179 -0.424 -0.495 301 3HG1 VAL 39 HG12 VAL 39 7.519 0.752 -1.628 302 1HG2 VAL 39 HG23 VAL 39 10.569 1.775 1.161 303 2HG2 VAL 39 HG22 VAL 39 9.428 0.487 1.533 304 3HG2 VAL 39 HG21 VAL 39 10.621 0.265 0.256 305 H ASP 40 HN ASP 40 10.302 3.032 -3.599 306 HA ASP 40 HA ASP 40 7.476 3.341 -4.452 307 1HB ASP 40 HB2 ASP 40 9.501 5.505 -4.304 308 2HB ASP 40 HB1 ASP 40 8.541 5.443 -5.780 309 H GLY 41 HN GLY 41 7.314 1.945 -6.086 310 1HA GLY 41 HA2 GLY 41 8.988 2.217 -8.442 311 2HA GLY 41 HA1 GLY 41 9.345 0.738 -7.553 312 H GLU 42 HN GLU 42 7.599 -0.780 -7.216 313 HA GLU 42 HA GLU 42 5.515 -0.606 -9.363 314 1HB GLU 42 HB2 GLU 42 6.342 -3.172 -8.083 315 2HB GLU 42 HB1 GLU 42 5.703 -2.900 -9.697 316 1HG GLU 42 HG2 GLU 42 7.853 -1.643 -10.221 317 2HG GLU 42 HG1 GLU 42 8.480 -2.222 -8.679 318 CH2 TRP 43 CH2 TRP 43 2.164 2.498 -1.952 319 H TRP 43 HN TRP 43 3.454 -0.595 -8.735 320 HA TRP 43 HA TRP 43 2.840 -1.319 -5.891 321 1HB TRP 43 HB2 TRP 43 1.816 0.837 -7.705 322 2HB TRP 43 HB1 TRP 43 0.843 0.279 -6.355 323 HD1 TRP 43 HD1 TRP 43 4.439 1.519 -7.049 324 HE1 TRP 43 HE1 TRP 43 5.134 2.849 -4.993 325 HE3 TRP 43 HE3 TRP 43 0.464 0.661 -4.189 326 HZ2 TRP 43 HZ2 TRP 43 4.071 3.397 -2.278 327 HZ3 TRP 43 HZ3 TRP 43 0.282 1.493 -1.900 328 HH2 TRP 43 HH2 TRP 43 2.081 2.862 -0.938 329 H THR 44 HN THR 44 1.217 -2.733 -5.499 330 HA THR 44 HA THR 44 -0.391 -3.665 -7.854 331 HB THR 44 HB THR 44 -0.175 -5.977 -7.048 332 HG1 THR 44 HG1 THR 44 -0.167 -5.485 -4.853 333 1HG2 THR 44 HG22 THR 44 1.891 -4.746 -8.217 334 2HG2 THR 44 HG21 THR 44 2.603 -4.907 -6.615 335 3HG2 THR 44 HG23 THR 44 2.103 -6.342 -7.505 336 OH TYR 45 OH TYR 45 -8.857 -1.350 -2.951 337 H TYR 45 HN TYR 45 -2.386 -4.806 -7.222 338 HA TYR 45 HA TYR 45 -3.519 -3.891 -4.609 339 1HB TYR 45 HB2 TYR 45 -4.080 -2.397 -6.660 340 2HB TYR 45 HB1 TYR 45 -5.085 -3.743 -7.199 341 HD1 TYR 45 HD1 TYR 45 -6.550 -4.706 -4.888 342 HD2 TYR 45 HD2 TYR 45 -5.360 -0.717 -5.734 343 HE1 TYR 45 HE1 TYR 45 -8.304 -3.872 -3.415 344 HE2 TYR 45 HE2 TYR 45 -7.157 0.116 -4.308 345 HH TYR 45 HH TYR 45 -8.488 -1.191 -2.079 346 H ASP 46 HN ASP 46 -4.482 -5.544 -3.587 347 HA ASP 46 HA ASP 46 -5.143 -7.998 -5.155 348 1HB ASP 46 HB2 ASP 46 -3.560 -8.027 -3.109 349 2HB ASP 46 HB1 ASP 46 -5.022 -7.813 -2.150 350 H ASP 47 HN ASP 47 -7.112 -6.747 -5.853 351 HA ASP 47 HA ASP 47 -9.164 -6.040 -3.980 352 1HB ASP 47 HB2 ASP 47 -9.085 -5.247 -6.336 353 2HB ASP 47 HB1 ASP 47 -9.486 -6.877 -6.874 354 H ALA 48 HN ALA 48 -7.894 -8.980 -4.391 355 HA ALA 48 HA ALA 48 -10.424 -10.505 -4.406 356 1HB ALA 48 HB2 ALA 48 -7.633 -11.077 -4.941 357 2HB ALA 48 HB1 ALA 48 -8.307 -12.248 -3.812 358 3HB ALA 48 HB3 ALA 48 -9.061 -12.007 -5.386 359 H THR 49 HN THR 49 -8.273 -9.108 -2.149 360 HA THR 49 HA THR 49 -9.819 -10.325 0.061 361 HB THR 49 HB THR 49 -7.737 -11.012 1.279 362 HG1 THR 49 HG1 THR 49 -6.381 -10.631 -1.146 363 1HG2 THR 49 HG21 THR 49 -8.862 -12.613 -0.430 364 2HG2 THR 49 HG23 THR 49 -7.594 -12.111 -1.547 365 3HG2 THR 49 HG22 THR 49 -7.173 -12.938 -0.049 366 H LYS 50 HN LYS 50 -9.103 -7.620 -1.268 367 HA LYS 50 HA LYS 50 -8.728 -5.415 -0.541 368 1HB LYS 50 HB2 LYS 50 -9.676 -6.599 2.083 369 2HB LYS 50 HB1 LYS 50 -9.611 -4.882 1.698 370 1HG LYS 50 HG2 LYS 50 -11.469 -4.978 0.362 371 2HG LYS 50 HG1 LYS 50 -11.053 -6.563 -0.277 372 1HD LYS 50 HD2 LYS 50 -13.086 -6.673 1.139 373 2HD LYS 50 HD1 LYS 50 -11.775 -7.618 1.837 374 1HE LYS 50 HE2 LYS 50 -11.424 -6.105 3.566 375 2HE LYS 50 HE1 LYS 50 -12.021 -4.739 2.633 376 1HZ LYS 50 HZ1 LYS 50 -13.812 -6.925 3.491 377 2HZ LYS 50 HZ3 LYS 50 -13.471 -5.603 4.502 378 3HZ LYS 50 HZ2 LYS 50 -14.220 -5.351 2.998 379 H THR 51 HN THR 51 -6.415 -6.491 -0.816 380 HA THR 51 HA THR 51 -4.868 -5.689 1.621 381 HB THR 51 HB THR 51 -4.055 -8.090 -0.052 382 HG1 THR 51 HG1 THR 51 -5.602 -8.126 2.316 383 1HG2 THR 51 HG23 THR 51 -2.787 -6.833 2.032 384 2HG2 THR 51 HG22 THR 51 -3.792 -7.991 2.896 385 3HG2 THR 51 HG21 THR 51 -2.634 -8.552 1.700 386 H PHE 52 HN PHE 52 -3.671 -3.937 0.892 387 HA PHE 52 HA PHE 52 -2.972 -3.701 -1.935 388 1HB PHE 52 HB2 PHE 52 -2.968 -1.979 0.394 389 2HB PHE 52 HB1 PHE 52 -1.464 -1.844 -0.505 390 HD1 PHE 52 HD1 PHE 52 -1.490 -1.159 -2.914 391 HD2 PHE 52 HD2 PHE 52 -5.042 -1.271 -0.606 392 HE1 PHE 52 HE1 PHE 52 -2.661 0.175 -4.625 393 HE2 PHE 52 HE2 PHE 52 -6.160 0.177 -2.217 394 HZ PHE 52 HZ PHE 52 -4.961 0.935 -4.214 395 H THR 53 HN THR 53 -0.684 -3.490 -2.638 396 HA THR 53 HA THR 53 1.379 -4.463 -0.812 397 HB THR 53 HB THR 53 0.436 -6.212 -3.109 398 HG1 THR 53 HG1 THR 53 0.040 -7.565 -1.349 399 1HG2 THR 53 HG22 THR 53 2.984 -6.101 -1.532 400 2HG2 THR 53 HG21 THR 53 2.265 -7.688 -1.789 401 3HG2 THR 53 HG23 THR 53 2.726 -6.696 -3.169 402 H VAL 54 HN VAL 54 3.262 -3.589 -1.341 403 HA VAL 54 HA VAL 54 3.702 -2.724 -4.174 404 HB VAL 54 HB VAL 54 3.078 -0.796 -2.687 405 1HG1 VAL 54 HG12 VAL 54 4.138 -1.854 -0.648 406 2HG1 VAL 54 HG11 VAL 54 5.704 -1.387 -1.300 407 3HG1 VAL 54 HG13 VAL 54 4.521 -0.154 -0.878 408 1HG2 VAL 54 HG23 VAL 54 5.916 -0.892 -3.753 409 2HG2 VAL 54 HG22 VAL 54 4.489 -0.294 -4.582 410 3HG2 VAL 54 HG21 VAL 54 5.137 0.581 -3.204 411 H THR 55 HN THR 55 5.901 -2.752 -4.818 412 HA THR 55 HA THR 55 7.848 -3.951 -2.919 413 HB THR 55 HB THR 55 7.220 -5.180 -5.638 414 HG1 THR 55 HG1 THR 55 7.021 -6.526 -3.228 415 1HG2 THR 55 HG22 THR 55 9.418 -5.491 -3.664 416 2HG2 THR 55 HG21 THR 55 8.622 -6.995 -4.118 417 3HG2 THR 55 HG23 THR 55 9.363 -5.985 -5.351 418 H GLU 56 HN GLU 56 9.648 -2.758 -3.040 419 HA GLU 56 HA GLU 56 10.124 -0.827 -5.106 420 1HB GLU 56 HB2 GLU 56 11.216 -1.399 -2.612 421 2HB GLU 56 HB1 GLU 56 12.542 -1.695 -3.725 422 1HG GLU 56 HG2 GLU 56 10.854 0.832 -3.626 423 2HG GLU 56 HG1 GLU 56 12.498 0.676 -3.013 Start of MODEL 3 Raw file had 423 H/Q atoms Entry Start of MODEL 3 1 1H MET 1 HT1 MET 1 -13.161 2.660 3.297 2 2H MET 1 HT3 MET 1 -13.669 1.748 1.957 3 3H MET 1 HT2 MET 1 -14.737 2.030 3.246 4 HA MET 1 HA MET 1 -13.838 0.453 4.557 5 1HB MET 1 HB2 MET 1 -14.006 -0.303 1.858 6 2HB MET 1 HB1 MET 1 -12.472 -0.957 2.421 7 1HG MET 1 HG2 MET 1 -13.664 -1.891 4.406 8 2HG MET 1 HG1 MET 1 -15.171 -1.327 3.736 9 1HE MET 1 HE1 MET 1 -15.974 -3.658 4.403 10 2HE MET 1 HE3 MET 1 -16.754 -2.973 2.978 11 3HE MET 1 HE2 MET 1 -16.315 -4.681 3.007 12 H THR 2 HN THR 2 -11.680 -1.168 4.494 13 HA THR 2 HA THR 2 -9.295 0.620 4.408 14 HB THR 2 HB THR 2 -9.811 -1.236 6.753 15 HG1 THR 2 HG1 THR 2 -11.109 0.948 6.006 16 1HG2 THR 2 HG21 THR 2 -7.516 0.043 6.054 17 2HG2 THR 2 HG23 THR 2 -8.334 1.353 6.901 18 3HG2 THR 2 HG22 THR 2 -8.001 -0.161 7.735 19 OH TYR 3 OH TYR 3 -11.494 0.015 -1.173 20 H TYR 3 HN TYR 3 -7.743 -0.323 3.249 21 HA TYR 3 HA TYR 3 -7.816 -3.286 2.920 22 1HB TYR 3 HB2 TYR 3 -6.082 -1.361 1.364 23 2HB TYR 3 HB1 TYR 3 -6.574 -2.990 0.913 24 HD1 TYR 3 HD1 TYR 3 -7.944 0.414 1.609 25 HD2 TYR 3 HD2 TYR 3 -8.564 -3.325 -0.313 26 HE1 TYR 3 HE1 TYR 3 -9.933 1.317 0.495 27 HE2 TYR 3 HE2 TYR 3 -10.553 -2.426 -1.427 28 HH TYR 3 HH TYR 3 -11.743 -0.595 -1.872 29 H LYS 4 HN LYS 4 -5.525 -4.247 2.640 30 HA LYS 4 HA LYS 4 -3.821 -3.237 4.895 31 1HB LYS 4 HB2 LYS 4 -5.078 -5.603 4.870 32 2HB LYS 4 HB1 LYS 4 -3.655 -6.062 3.952 33 1HG LYS 4 HG2 LYS 4 -2.341 -4.840 5.874 34 2HG LYS 4 HG1 LYS 4 -3.827 -5.072 6.786 35 1HD LYS 4 HD2 LYS 4 -3.734 -7.492 6.388 36 2HD LYS 4 HD1 LYS 4 -2.299 -7.297 5.387 37 1HE LYS 4 HE2 LYS 4 -0.929 -7.104 7.191 38 2HE LYS 4 HE1 LYS 4 -2.047 -6.040 8.034 39 1HZ LYS 4 HZ3 LYS 4 -3.387 -8.015 8.579 40 2HZ LYS 4 HZ2 LYS 4 -2.192 -8.996 7.876 41 3HZ LYS 4 HZ1 LYS 4 -1.826 -8.063 9.248 42 H LEU 5 HN LEU 5 -1.942 -2.400 4.193 43 HA LEU 5 HA LEU 5 -0.994 -3.080 1.489 44 1HB LEU 5 HB2 LEU 5 -0.883 -0.744 2.053 45 2HB LEU 5 HB1 LEU 5 -0.095 -1.080 3.584 46 HG LEU 5 HG LEU 5 1.924 -1.930 2.265 47 1HD1 LEU 5 HD13 LEU 5 0.423 -0.659 -0.045 48 2HD1 LEU 5 HD12 LEU 5 2.065 -1.279 -0.105 49 3HD1 LEU 5 HD11 LEU 5 0.720 -2.384 0.127 50 1HD2 LEU 5 HD21 LEU 5 1.691 0.395 3.208 51 2HD2 LEU 5 HD23 LEU 5 2.760 0.276 1.814 52 3HD2 LEU 5 HD22 LEU 5 1.132 0.910 1.622 53 H ILE 6 HN ILE 6 1.076 -3.916 1.054 54 HA ILE 6 HA ILE 6 2.510 -5.164 3.314 55 HB ILE 6 HB ILE 6 2.068 -6.493 0.637 56 1HG1 ILE 6 HG12 ILE 6 0.749 -7.132 3.306 57 2HG1 ILE 6 HG11 ILE 6 -0.039 -6.236 2.017 58 1HG2 ILE 6 HG22 ILE 6 3.983 -6.913 2.646 59 2HG2 ILE 6 HG21 ILE 6 2.778 -8.164 2.929 60 3HG2 ILE 6 HG23 ILE 6 3.563 -8.039 1.360 61 1HD1 ILE 6 HD3 ILE 6 1.186 -8.913 1.395 62 2HD1 ILE 6 HD2 ILE 6 -0.391 -8.837 2.167 63 3HD1 ILE 6 HD1 ILE 6 -0.143 -8.089 0.593 64 H LEU 7 HN LEU 7 4.281 -3.915 3.363 65 HA LEU 7 HA LEU 7 5.478 -2.857 0.928 66 1HB LEU 7 HB2 LEU 7 6.207 -2.728 3.842 67 2HB LEU 7 HB1 LEU 7 7.260 -2.068 2.596 68 HG LEU 7 HG LEU 7 4.399 -1.312 2.368 69 1HD1 LEU 7 HD12 LEU 7 6.174 -0.338 4.632 70 2HD1 LEU 7 HD11 LEU 7 4.688 0.461 4.131 71 3HD1 LEU 7 HD13 LEU 7 4.631 -1.170 4.792 72 1HD2 LEU 7 HD22 LEU 7 6.399 -0.492 0.976 73 2HD2 LEU 7 HD21 LEU 7 5.350 0.760 1.635 74 3HD2 LEU 7 HD23 LEU 7 6.893 0.407 2.406 75 H ASN 8 HN ASN 8 6.721 -4.020 -0.366 76 HA ASN 8 HA ASN 8 8.354 -6.216 0.821 77 1HB ASN 8 HB2 ASN 8 6.827 -5.884 -1.634 78 2HB ASN 8 HB1 ASN 8 8.470 -6.378 -1.978 79 1HD2 ASN 8 HD22 ASN 8 5.962 -9.152 -0.890 80 2HD2 ASN 8 HD21 ASN 8 5.590 -7.706 -1.686 81 H GLY 9 HN GLY 9 9.188 -3.571 1.190 82 1HA GLY 9 HA2 GLY 9 10.941 -2.517 -0.751 83 2HA GLY 9 HA1 GLY 9 11.133 -2.265 0.976 84 H LYS 10 HN LYS 10 13.117 -2.771 -1.170 85 HA LYS 10 HA LYS 10 14.162 -5.434 -0.926 86 1HB LYS 10 HB2 LYS 10 16.209 -4.497 -1.911 87 2HB LYS 10 HB1 LYS 10 14.787 -3.901 -2.759 88 1HG LYS 10 HG2 LYS 10 14.906 -1.925 -1.038 89 2HG LYS 10 HG1 LYS 10 16.569 -2.450 -0.810 90 1HD LYS 10 HD2 LYS 10 16.461 -2.449 -3.517 91 2HD LYS 10 HD1 LYS 10 15.289 -1.182 -3.175 92 1HE LYS 10 HE2 LYS 10 17.049 -0.196 -1.585 93 2HE LYS 10 HE1 LYS 10 18.192 -1.304 -2.333 94 1HZ LYS 10 HZ3 LYS 10 16.786 -0.028 -4.370 95 2HZ LYS 10 HZ2 LYS 10 17.292 1.170 -3.278 96 3HZ LYS 10 HZ1 LYS 10 18.431 0.122 -3.975 97 H THR 11 HN THR 11 14.995 -2.396 0.699 98 HA THR 11 HA THR 11 16.692 -3.922 2.604 99 HB THR 11 HB THR 11 17.140 -1.370 3.328 100 HG1 THR 11 HG1 THR 11 16.977 -0.445 0.979 101 1HG2 THR 11 HG22 THR 11 18.166 -2.888 0.925 102 2HG2 THR 11 HG21 THR 11 18.712 -1.241 1.221 103 3HG2 THR 11 HG23 THR 11 19.023 -2.499 2.413 104 H LEU 12 HN LEU 12 13.561 -3.268 2.367 105 HA LEU 12 HA LEU 12 13.192 -3.337 5.279 106 1HB LEU 12 HB2 LEU 12 13.468 -0.876 4.581 107 2HB LEU 12 HB1 LEU 12 11.901 -1.049 3.800 108 HG LEU 12 HG LEU 12 11.339 -2.146 6.220 109 1HD1 LEU 12 HD11 LEU 12 13.684 -1.609 6.988 110 2HD1 LEU 12 HD13 LEU 12 13.305 0.099 6.784 111 3HD1 LEU 12 HD12 LEU 12 12.431 -0.860 7.974 112 1HD2 LEU 12 HD22 LEU 12 11.321 0.797 5.467 113 2HD2 LEU 12 HD21 LEU 12 10.045 -0.370 5.139 114 3HD2 LEU 12 HD23 LEU 12 10.397 0.106 6.796 115 H LYS 13 HN LYS 13 11.182 -4.101 5.876 116 HA LYS 13 HA LYS 13 9.140 -4.483 3.755 117 1HB LYS 13 HB2 LYS 13 10.234 -6.727 5.474 118 2HB LYS 13 HB1 LYS 13 8.872 -6.868 4.373 119 1HG LYS 13 HG2 LYS 13 10.566 -5.932 2.591 120 2HG LYS 13 HG1 LYS 13 11.788 -6.480 3.733 121 1HD LYS 13 HD2 LYS 13 9.578 -8.187 2.538 122 2HD LYS 13 HD1 LYS 13 11.283 -8.261 2.107 123 1HE LYS 13 HE2 LYS 13 11.279 -9.933 3.689 124 2HE LYS 13 HE1 LYS 13 11.513 -8.568 4.775 125 1HZ LYS 13 HZ1 LYS 13 8.793 -9.422 4.055 126 2HZ LYS 13 HZ3 LYS 13 9.657 -10.261 5.253 127 3HZ LYS 13 HZ2 LYS 13 9.331 -8.605 5.443 128 H GLY 14 HN GLY 14 7.131 -4.114 4.529 129 1HA GLY 14 HA2 GLY 14 6.544 -4.577 7.378 130 2HA GLY 14 HA1 GLY 14 6.473 -2.897 6.859 131 H GLU 15 HN GLU 15 4.221 -3.004 7.480 132 HA GLU 15 HA GLU 15 2.466 -3.411 5.264 133 1HB GLU 15 HB2 GLU 15 1.095 -5.254 6.511 134 2HB GLU 15 HB1 GLU 15 2.505 -5.738 5.577 135 1HG GLU 15 HG2 GLU 15 3.828 -6.055 7.490 136 2HG GLU 15 HG1 GLU 15 2.817 -5.007 8.482 137 H THR 16 HN THR 16 0.775 -2.079 5.587 138 HA THR 16 HA THR 16 -0.213 -1.632 8.345 139 HB THR 16 HB THR 16 1.403 0.167 8.219 140 HG1 THR 16 HG1 THR 16 -1.096 1.149 7.280 141 1HG2 THR 16 HG22 THR 16 0.795 0.057 5.402 142 2HG2 THR 16 HG21 THR 16 0.446 1.676 5.992 143 3HG2 THR 16 HG23 THR 16 2.055 0.990 6.195 144 H THR 17 HN THR 17 -2.316 -0.732 8.428 145 HA THR 17 HA THR 17 -3.820 -1.066 5.872 146 HB THR 17 HB THR 17 -5.712 -1.692 7.179 147 HG1 THR 17 HG1 THR 17 -4.255 -0.334 9.217 148 1HG2 THR 17 HG22 THR 17 -3.331 -3.008 7.748 149 2HG2 THR 17 HG21 THR 17 -3.879 -2.511 9.344 150 3HG2 THR 17 HG23 THR 17 -4.911 -3.514 8.330 151 H THR 18 HN THR 18 -5.028 0.563 5.032 152 HA THR 18 HA THR 18 -5.126 3.137 6.561 153 HB THR 18 HB THR 18 -3.449 2.995 4.530 154 HG1 THR 18 HG1 THR 18 -5.349 4.825 5.378 155 1HG2 THR 18 HG21 THR 18 -5.492 2.100 3.070 156 2HG2 THR 18 HG23 THR 18 -5.926 3.804 3.023 157 3HG2 THR 18 HG22 THR 18 -4.374 3.272 2.383 158 H GLU 19 HN GLU 19 -7.003 4.316 6.384 159 HA GLU 19 HA GLU 19 -9.321 2.823 5.317 160 1HB GLU 19 HB2 GLU 19 -9.659 3.666 7.522 161 2HB GLU 19 HB1 GLU 19 -9.051 5.258 7.081 162 1HG GLU 19 HG2 GLU 19 -11.009 5.859 6.002 163 2HG GLU 19 HG1 GLU 19 -11.386 4.201 5.540 164 H ALA 20 HN ALA 20 -10.186 3.276 3.404 165 HA ALA 20 HA ALA 20 -9.960 6.040 2.321 166 1HB ALA 20 HB3 ALA 20 -8.776 3.571 1.196 167 2HB ALA 20 HB2 ALA 20 -9.641 4.585 0.046 168 3HB ALA 20 HB1 ALA 20 -8.297 5.251 0.969 169 H VAL 21 HN VAL 21 -11.540 6.512 0.673 170 HA VAL 21 HA VAL 21 -14.050 5.049 1.134 171 HB VAL 21 HB VAL 21 -13.900 7.571 1.033 172 1HG1 VAL 21 HG12 VAL 21 -12.313 7.488 -0.973 173 2HG1 VAL 21 HG11 VAL 21 -13.724 7.130 -1.960 174 3HG1 VAL 21 HG13 VAL 21 -13.623 8.654 -1.084 175 1HG2 VAL 21 HG21 VAL 21 -15.809 5.793 -0.294 176 2HG2 VAL 21 HG23 VAL 21 -16.114 7.177 0.748 177 3HG2 VAL 21 HG22 VAL 21 -15.829 7.418 -0.972 178 H ASP 22 HN ASP 22 -11.614 5.344 -1.326 179 HA ASP 22 HA ASP 22 -12.992 3.217 -2.867 180 1HB ASP 22 HB2 ASP 22 -12.761 4.402 -4.984 181 2HB ASP 22 HB1 ASP 22 -13.677 5.408 -3.865 182 H ALA 23 HN ALA 23 -11.479 2.516 -4.749 183 HA ALA 23 HA ALA 23 -8.951 1.769 -3.546 184 1HB ALA 23 HB3 ALA 23 -10.440 1.150 -6.008 185 2HB ALA 23 HB2 ALA 23 -8.690 1.113 -6.196 186 3HB ALA 23 HB1 ALA 23 -9.468 0.095 -4.988 187 H ALA 24 HN ALA 24 -9.966 4.251 -5.781 188 HA ALA 24 HA ALA 24 -7.445 4.896 -6.930 189 1HB ALA 24 HB1 ALA 24 -10.052 5.976 -6.965 190 2HB ALA 24 HB3 ALA 24 -8.991 7.282 -6.449 191 3HB ALA 24 HB2 ALA 24 -8.689 6.453 -7.972 192 H THR 25 HN THR 25 -9.061 6.583 -4.233 193 HA THR 25 HA THR 25 -6.777 8.102 -3.480 194 HB THR 25 HB THR 25 -8.948 8.765 -2.592 195 HG1 THR 25 HG1 THR 25 -6.847 7.916 -1.010 196 1HG2 THR 25 HG23 THR 25 -9.032 5.902 -1.797 197 2HG2 THR 25 HG22 THR 25 -9.592 7.030 -0.571 198 3HG2 THR 25 HG21 THR 25 -10.363 6.992 -2.152 199 H ALA 26 HN ALA 26 -7.644 4.798 -2.869 200 HA ALA 26 HA ALA 26 -5.908 4.377 -0.607 201 1HB ALA 26 HB1 ALA 26 -7.756 2.823 -1.331 202 2HB ALA 26 HB3 ALA 26 -6.734 2.328 -2.676 203 3HB ALA 26 HB2 ALA 26 -6.222 2.016 -1.020 204 H GLU 27 HN GLU 27 -5.438 4.341 -4.075 205 HA GLU 27 HA GLU 27 -2.831 3.121 -4.050 206 1HB GLU 27 HB2 GLU 27 -4.274 4.881 -6.037 207 2HB GLU 27 HB1 GLU 27 -2.666 4.243 -6.338 208 1HG GLU 27 HG2 GLU 27 -3.581 1.929 -5.912 209 2HG GLU 27 HG1 GLU 27 -5.189 2.643 -5.829 210 H LYS 28 HN LYS 28 -3.951 6.477 -4.007 211 HA LYS 28 HA LYS 28 -1.214 7.524 -3.975 212 1HB LYS 28 HB2 LYS 28 -3.555 9.211 -3.216 213 2HB LYS 28 HB1 LYS 28 -2.174 9.607 -4.234 214 1HG LYS 28 HG2 LYS 28 -3.100 7.923 -5.920 215 2HG LYS 28 HG1 LYS 28 -4.568 7.893 -4.949 216 1HD LYS 28 HD2 LYS 28 -4.768 10.359 -5.211 217 2HD LYS 28 HD1 LYS 28 -3.330 10.354 -6.225 218 1HE LYS 28 HE2 LYS 28 -5.005 8.354 -7.294 219 2HE LYS 28 HE1 LYS 28 -6.069 9.710 -6.940 220 1HZ LYS 28 HZ3 LYS 28 -3.530 10.313 -8.238 221 2HZ LYS 28 HZ2 LYS 28 -4.712 9.531 -9.175 222 3HZ LYS 28 HZ1 LYS 28 -5.057 11.027 -8.447 223 H VAL 29 HN VAL 29 -3.782 6.933 -1.656 224 HA VAL 29 HA VAL 29 -2.701 8.362 0.552 225 HB VAL 29 HB VAL 29 -4.440 5.903 0.379 226 1HG1 VAL 29 HG13 VAL 29 -3.276 7.310 2.780 227 2HG1 VAL 29 HG12 VAL 29 -4.840 6.509 2.886 228 3HG1 VAL 29 HG11 VAL 29 -3.402 5.580 2.476 229 1HG2 VAL 29 HG23 VAL 29 -5.056 8.469 -0.142 230 2HG2 VAL 29 HG22 VAL 29 -6.200 7.380 0.636 231 3HG2 VAL 29 HG21 VAL 29 -5.251 8.500 1.608 232 H PHE 30 HN PHE 30 -2.485 4.854 -0.074 233 HA PHE 30 HA PHE 30 -0.536 4.328 1.908 234 1HB PHE 30 HB2 PHE 30 -1.344 2.968 -0.637 235 2HB PHE 30 HB1 PHE 30 0.128 2.439 0.162 236 HD1 PHE 30 HD1 PHE 30 -0.246 2.282 2.908 237 HD2 PHE 30 HD2 PHE 30 -3.237 1.717 -0.080 238 HE1 PHE 30 HE1 PHE 30 -1.592 0.975 4.492 239 HE2 PHE 30 HE2 PHE 30 -4.558 0.395 1.505 240 HZ PHE 30 HZ PHE 30 -3.735 -0.003 3.783 241 H LYS 31 HN LYS 31 -0.163 5.294 -1.474 242 HA LYS 31 HA LYS 31 2.634 5.062 -1.702 243 1HB LYS 31 HB2 LYS 31 1.230 5.647 -3.612 244 2HB LYS 31 HB1 LYS 31 0.818 7.187 -2.863 245 1HG LYS 31 HG2 LYS 31 3.043 8.012 -3.079 246 2HG LYS 31 HG1 LYS 31 3.689 6.409 -3.410 247 1HD LYS 31 HD2 LYS 31 3.025 6.449 -5.614 248 2HD LYS 31 HD1 LYS 31 1.577 7.388 -5.266 249 1HE LYS 31 HE2 LYS 31 3.467 8.582 -6.560 250 2HE LYS 31 HE1 LYS 31 2.787 9.430 -5.178 251 1HZ LYS 31 HZ3 LYS 31 4.870 7.775 -4.293 252 2HZ LYS 31 HZ2 LYS 31 5.433 8.694 -5.605 253 3HZ LYS 31 HZ1 LYS 31 4.770 9.469 -4.249 254 H GLN 32 HN GLN 32 0.705 7.676 -0.316 255 HA GLN 32 HA GLN 32 2.848 9.483 0.189 256 1HB GLN 32 HB2 GLN 32 0.504 10.160 0.418 257 2HB GLN 32 HB1 GLN 32 0.296 9.045 1.763 258 1HG GLN 32 HG2 GLN 32 2.511 11.060 1.918 259 2HG GLN 32 HG1 GLN 32 0.862 11.604 2.210 260 1HE2 GLN 32 HE22 GLN 32 0.487 9.444 5.123 261 2HE2 GLN 32 HE21 GLN 32 -0.390 9.937 3.755 262 OH TYR 33 OH TYR 33 4.918 2.586 8.260 263 H TYR 33 HN TYR 33 1.682 6.668 1.923 264 HA TYR 33 HA TYR 33 3.291 7.110 4.292 265 1HB TYR 33 HB2 TYR 33 1.311 5.653 4.359 266 2HB TYR 33 HB1 TYR 33 2.071 4.558 3.209 267 HD1 TYR 33 HD1 TYR 33 4.180 3.355 3.861 268 HD2 TYR 33 HD2 TYR 33 1.907 5.578 6.685 269 HE1 TYR 33 HE1 TYR 33 5.330 2.203 5.691 270 HE2 TYR 33 HE2 TYR 33 3.057 4.424 8.518 271 HH TYR 33 HH TYR 33 4.254 2.280 8.882 272 H ALA 34 HN ALA 34 3.590 4.708 1.686 273 HA ALA 34 HA ALA 34 6.132 3.719 2.321 274 1HB ALA 34 HB1 ALA 34 4.371 3.423 0.204 275 2HB ALA 34 HB3 ALA 34 5.791 4.133 -0.558 276 3HB ALA 34 HB2 ALA 34 5.936 2.629 0.346 277 H ASN 35 HN ASN 35 5.247 6.720 0.762 278 HA ASN 35 HA ASN 35 7.820 7.461 -0.223 279 1HB ASN 35 HB2 ASN 35 5.860 8.702 -0.914 280 2HB ASN 35 HB1 ASN 35 5.504 9.155 0.751 281 1HD2 ASN 35 HD22 ASN 35 7.311 12.127 0.216 282 2HD2 ASN 35 HD21 ASN 35 5.848 11.403 0.686 283 H ASP 36 HN ASP 36 6.315 7.796 2.936 284 HA ASP 36 HA ASP 36 8.374 9.453 4.083 285 1HB ASP 36 HB2 ASP 36 6.372 7.576 5.367 286 2HB ASP 36 HB1 ASP 36 7.402 8.688 6.267 287 H ASN 37 HN ASN 37 8.399 6.284 3.040 288 HA ASN 37 HA ASN 37 10.589 5.525 4.935 289 1HB ASN 37 HB2 ASN 37 8.908 3.747 3.147 290 2HB ASN 37 HB1 ASN 37 10.113 3.202 4.311 291 1HD2 ASN 37 HD22 ASN 37 6.689 4.923 5.831 292 2HD2 ASN 37 HD21 ASN 37 7.333 5.513 4.375 293 H GLY 38 HN GLY 38 9.789 6.191 1.649 294 1HA GLY 38 HA2 GLY 38 11.497 6.793 0.034 295 2HA GLY 38 HA1 GLY 38 12.644 5.789 0.916 296 H VAL 39 HN VAL 39 9.656 4.267 0.591 297 HA VAL 39 HA VAL 39 10.792 2.443 -1.444 298 HB VAL 39 HB VAL 39 8.268 2.259 0.226 299 1HG1 VAL 39 HG13 VAL 39 9.495 0.498 -1.884 300 2HG1 VAL 39 HG12 VAL 39 8.583 -0.228 -0.567 301 3HG1 VAL 39 HG11 VAL 39 7.805 0.923 -1.650 302 1HG2 VAL 39 HG22 VAL 39 10.593 2.098 1.339 303 2HG2 VAL 39 HG21 VAL 39 9.495 0.746 1.604 304 3HG2 VAL 39 HG23 VAL 39 10.796 0.605 0.426 305 H ASP 40 HN ASP 40 10.450 2.983 -3.511 306 HA ASP 40 HA ASP 40 7.687 3.587 -4.374 307 1HB ASP 40 HB2 ASP 40 10.025 5.470 -4.682 308 2HB ASP 40 HB1 ASP 40 8.656 5.521 -5.792 309 H GLY 41 HN GLY 41 7.322 2.202 -5.987 310 1HA GLY 41 HA2 GLY 41 9.064 2.070 -8.299 311 2HA GLY 41 HA1 GLY 41 9.196 0.616 -7.315 312 H GLU 42 HN GLU 42 7.652 -0.924 -7.495 313 HA GLU 42 HA GLU 42 5.448 -0.389 -9.431 314 1HB GLU 42 HB2 GLU 42 6.231 -3.071 -8.329 315 2HB GLU 42 HB1 GLU 42 5.388 -2.717 -9.831 316 1HG GLU 42 HG2 GLU 42 7.536 -1.430 -10.504 317 2HG GLU 42 HG1 GLU 42 8.309 -2.288 -9.173 318 CH2 TRP 43 CH2 TRP 43 2.212 2.508 -2.071 319 H TRP 43 HN TRP 43 3.331 -0.637 -8.881 320 HA TRP 43 HA TRP 43 2.752 -1.279 -6.010 321 1HB TRP 43 HB2 TRP 43 1.700 0.866 -7.827 322 2HB TRP 43 HB1 TRP 43 0.755 0.323 -6.452 323 HD1 TRP 43 HD1 TRP 43 4.322 1.585 -7.246 324 HE1 TRP 43 HE1 TRP 43 5.088 2.883 -5.199 325 HE3 TRP 43 HE3 TRP 43 0.434 0.705 -4.274 326 HZ2 TRP 43 HZ2 TRP 43 4.112 3.405 -2.446 327 HZ3 TRP 43 HZ3 TRP 43 0.329 1.506 -1.973 328 HH2 TRP 43 HH2 TRP 43 2.161 2.861 -1.051 329 H THR 44 HN THR 44 1.223 -2.770 -5.623 330 HA THR 44 HA THR 44 -0.421 -3.711 -7.952 331 HB THR 44 HB THR 44 -0.267 -6.008 -6.950 332 HG1 THR 44 HG1 THR 44 0.575 -6.124 -5.000 333 1HG2 THR 44 HG23 THR 44 1.840 -4.592 -8.223 334 2HG2 THR 44 HG22 THR 44 2.577 -5.422 -6.856 335 3HG2 THR 44 HG21 THR 44 1.696 -6.340 -8.072 336 OH TYR 45 OH TYR 45 -8.912 -1.323 -3.126 337 H TYR 45 HN TYR 45 -2.406 -4.899 -7.259 338 HA TYR 45 HA TYR 45 -3.551 -3.901 -4.689 339 1HB TYR 45 HB2 TYR 45 -4.083 -2.418 -6.746 340 2HB TYR 45 HB1 TYR 45 -5.086 -3.761 -7.299 341 HD1 TYR 45 HD1 TYR 45 -6.611 -4.703 -5.020 342 HD2 TYR 45 HD2 TYR 45 -5.363 -0.730 -5.848 343 HE1 TYR 45 HE1 TYR 45 -8.378 -3.848 -3.579 344 HE2 TYR 45 HE2 TYR 45 -7.176 0.125 -4.455 345 HH TYR 45 HH TYR 45 -8.526 -1.024 -2.299 346 H ASP 46 HN ASP 46 -4.566 -5.510 -3.649 347 HA ASP 46 HA ASP 46 -5.342 -7.948 -5.208 348 1HB ASP 46 HB2 ASP 46 -3.567 -8.031 -3.301 349 2HB ASP 46 HB1 ASP 46 -4.955 -7.898 -2.227 350 H ASP 47 HN ASP 47 -7.407 -7.042 -5.743 351 HA ASP 47 HA ASP 47 -9.240 -6.178 -3.656 352 1HB ASP 47 HB2 ASP 47 -9.505 -5.299 -5.904 353 2HB ASP 47 HB1 ASP 47 -9.696 -6.924 -6.557 354 H ALA 48 HN ALA 48 -8.088 -9.166 -4.467 355 HA ALA 48 HA ALA 48 -10.532 -10.722 -4.265 356 1HB ALA 48 HB1 ALA 48 -8.369 -11.486 -5.353 357 2HB ALA 48 HB3 ALA 48 -7.714 -11.681 -3.730 358 3HB ALA 48 HB2 ALA 48 -9.095 -12.645 -4.244 359 H THR 49 HN THR 49 -8.131 -9.525 -2.018 360 HA THR 49 HA THR 49 -9.840 -10.500 0.227 361 HB THR 49 HB THR 49 -7.590 -10.915 1.480 362 HG1 THR 49 HG1 THR 49 -6.935 -10.231 -1.124 363 1HG2 THR 49 HG22 THR 49 -8.970 -12.565 -0.513 364 2HG2 THR 49 HG21 THR 49 -7.250 -12.937 -0.440 365 3HG2 THR 49 HG23 THR 49 -8.240 -13.061 1.011 366 H LYS 50 HN LYS 50 -9.054 -7.874 -1.246 367 HA LYS 50 HA LYS 50 -8.752 -5.632 -0.622 368 1HB LYS 50 HB2 LYS 50 -9.599 -6.603 2.117 369 2HB LYS 50 HB1 LYS 50 -9.733 -4.966 1.487 370 1HG LYS 50 HG2 LYS 50 -11.769 -5.487 0.665 371 2HG LYS 50 HG1 LYS 50 -11.008 -6.661 -0.402 372 1HD LYS 50 HD2 LYS 50 -11.080 -8.331 1.476 373 2HD LYS 50 HD1 LYS 50 -11.973 -7.158 2.434 374 1HE LYS 50 HE2 LYS 50 -13.821 -7.177 0.904 375 2HE LYS 50 HE1 LYS 50 -12.895 -8.052 -0.309 376 1HZ LYS 50 HZ1 LYS 50 -13.367 -9.240 2.344 377 2HZ LYS 50 HZ3 LYS 50 -14.562 -9.326 1.139 378 3HZ LYS 50 HZ2 LYS 50 -13.031 -10.011 0.867 379 H THR 51 HN THR 51 -6.421 -6.508 -0.898 380 HA THR 51 HA THR 51 -4.901 -5.643 1.514 381 HB THR 51 HB THR 51 -4.452 -8.267 0.016 382 HG1 THR 51 HG1 THR 51 -4.823 -7.838 2.765 383 1HG2 THR 51 HG22 THR 51 -2.455 -6.732 1.247 384 2HG2 THR 51 HG21 THR 51 -3.010 -7.796 2.531 385 3HG2 THR 51 HG23 THR 51 -2.407 -8.474 1.025 386 H PHE 52 HN PHE 52 -3.674 -3.966 0.800 387 HA PHE 52 HA PHE 52 -2.970 -3.715 -2.025 388 1HB PHE 52 HB2 PHE 52 -3.012 -2.015 0.311 389 2HB PHE 52 HB1 PHE 52 -1.488 -1.859 -0.550 390 HD1 PHE 52 HD1 PHE 52 -1.477 -1.148 -2.959 391 HD2 PHE 52 HD2 PHE 52 -5.070 -1.334 -0.715 392 HE1 PHE 52 HE1 PHE 52 -2.646 0.165 -4.689 393 HE2 PHE 52 HE2 PHE 52 -6.185 0.089 -2.342 394 HZ PHE 52 HZ PHE 52 -4.963 0.887 -4.308 395 H THR 53 HN THR 53 -0.678 -3.435 -2.703 396 HA THR 53 HA THR 53 1.396 -4.416 -0.896 397 HB THR 53 HB THR 53 0.449 -6.141 -3.208 398 HG1 THR 53 HG1 THR 53 -0.600 -6.462 -1.259 399 1HG2 THR 53 HG23 THR 53 3.051 -5.991 -1.722 400 2HG2 THR 53 HG22 THR 53 2.370 -7.591 -2.001 401 3HG2 THR 53 HG21 THR 53 2.751 -6.546 -3.365 402 H VAL 54 HN VAL 54 3.314 -3.583 -1.449 403 HA VAL 54 HA VAL 54 3.690 -2.622 -4.259 404 HB VAL 54 HB VAL 54 3.080 -0.739 -2.689 405 1HG1 VAL 54 HG13 VAL 54 4.257 -1.837 -0.733 406 2HG1 VAL 54 HG12 VAL 54 5.778 -1.308 -1.441 407 3HG1 VAL 54 HG11 VAL 54 4.583 -0.123 -0.928 408 1HG2 VAL 54 HG21 VAL 54 5.847 -0.791 -3.921 409 2HG2 VAL 54 HG23 VAL 54 4.375 -0.143 -4.620 410 3HG2 VAL 54 HG22 VAL 54 5.128 0.664 -3.256 411 H THR 55 HN THR 55 5.873 -2.629 -4.949 412 HA THR 55 HA THR 55 7.851 -3.877 -3.108 413 HB THR 55 HB THR 55 7.297 -4.973 -5.900 414 HG1 THR 55 HG1 THR 55 6.839 -6.244 -3.433 415 1HG2 THR 55 HG23 THR 55 9.391 -5.401 -3.880 416 2HG2 THR 55 HG22 THR 55 8.500 -6.876 -4.243 417 3HG2 THR 55 HG21 THR 55 9.311 -5.998 -5.531 418 H GLU 56 HN GLU 56 9.571 -2.567 -3.146 419 HA GLU 56 HA GLU 56 10.038 -0.547 -5.093 420 1HB GLU 56 HB2 GLU 56 11.132 -1.201 -2.661 421 2HB GLU 56 HB1 GLU 56 12.452 -1.573 -3.760 422 1HG GLU 56 HG2 GLU 56 10.932 1.056 -3.636 423 2HG GLU 56 HG1 GLU 56 12.571 0.786 -3.050 Start of MODEL 4 Raw file had 423 H/Q atoms Entry Start of MODEL 4 1 1H MET 1 HT1 MET 1 -13.672 2.182 5.138 2 2H MET 1 HT3 MET 1 -15.082 1.577 4.410 3 3H MET 1 HT2 MET 1 -14.416 0.787 5.758 4 HA MET 1 HA MET 1 -13.625 -0.562 4.135 5 1HB MET 1 HB2 MET 1 -14.015 1.849 2.468 6 2HB MET 1 HB1 MET 1 -12.684 0.807 1.976 7 1HG MET 1 HG2 MET 1 -14.965 0.271 0.981 8 2HG MET 1 HG1 MET 1 -14.084 -1.056 1.689 9 1HE MET 1 HE1 MET 1 -16.273 -1.707 0.802 10 2HE MET 1 HE3 MET 1 -16.621 -2.782 2.155 11 3HE MET 1 HE2 MET 1 -17.822 -1.598 1.638 12 H THR 2 HN THR 2 -11.637 -1.286 4.537 13 HA THR 2 HA THR 2 -9.355 0.615 4.483 14 HB THR 2 HB THR 2 -9.896 -1.212 6.862 15 HG1 THR 2 HG1 THR 2 -10.832 0.532 7.658 16 1HG2 THR 2 HG21 THR 2 -7.482 -0.111 5.982 17 2HG2 THR 2 HG23 THR 2 -8.092 1.094 7.113 18 3HG2 THR 2 HG22 THR 2 -7.841 -0.566 7.644 19 OH TYR 3 OH TYR 3 -11.585 0.198 -1.053 20 H TYR 3 HN TYR 3 -7.827 -0.267 3.242 21 HA TYR 3 HA TYR 3 -7.803 -3.225 2.897 22 1HB TYR 3 HB2 TYR 3 -6.130 -1.263 1.339 23 2HB TYR 3 HB1 TYR 3 -6.638 -2.876 0.868 24 HD1 TYR 3 HD1 TYR 3 -7.945 0.536 1.618 25 HD2 TYR 3 HD2 TYR 3 -8.688 -3.190 -0.288 26 HE1 TYR 3 HE1 TYR 3 -9.951 1.473 0.564 27 HE2 TYR 3 HE2 TYR 3 -10.693 -2.256 -1.340 28 HH TYR 3 HH TYR 3 -11.360 0.443 -1.954 29 H LYS 4 HN LYS 4 -5.691 -4.313 2.848 30 HA LYS 4 HA LYS 4 -3.903 -3.192 4.968 31 1HB LYS 4 HB2 LYS 4 -5.136 -5.573 4.974 32 2HB LYS 4 HB1 LYS 4 -3.710 -6.029 4.059 33 1HG LYS 4 HG2 LYS 4 -2.475 -4.680 6.022 34 2HG LYS 4 HG1 LYS 4 -3.924 -5.148 6.904 35 1HD LYS 4 HD2 LYS 4 -3.542 -7.513 6.267 36 2HD LYS 4 HD1 LYS 4 -2.082 -7.039 5.405 37 1HE LYS 4 HE2 LYS 4 -1.730 -7.905 7.787 38 2HE LYS 4 HE1 LYS 4 -0.996 -6.349 7.424 39 1HZ LYS 4 HZ3 LYS 4 -3.642 -6.691 8.719 40 2HZ LYS 4 HZ2 LYS 4 -2.192 -6.399 9.554 41 3HZ LYS 4 HZ1 LYS 4 -2.805 -5.231 8.483 42 H LEU 5 HN LEU 5 -1.957 -2.462 4.330 43 HA LEU 5 HA LEU 5 -1.047 -3.092 1.591 44 1HB LEU 5 HB2 LEU 5 -0.897 -0.769 2.191 45 2HB LEU 5 HB1 LEU 5 -0.118 -1.138 3.719 46 HG LEU 5 HG LEU 5 1.894 -1.992 2.393 47 1HD1 LEU 5 HD11 LEU 5 0.386 -0.700 0.098 48 2HD1 LEU 5 HD13 LEU 5 2.037 -1.297 0.024 49 3HD1 LEU 5 HD12 LEU 5 0.707 -2.422 0.252 50 1HD2 LEU 5 HD21 LEU 5 1.629 0.360 3.343 51 2HD2 LEU 5 HD23 LEU 5 2.776 0.192 2.019 52 3HD2 LEU 5 HD22 LEU 5 1.178 0.859 1.718 53 H ILE 6 HN ILE 6 1.021 -3.945 1.144 54 HA ILE 6 HA ILE 6 2.437 -5.259 3.376 55 HB ILE 6 HB ILE 6 1.561 -6.458 0.756 56 1HG1 ILE 6 HG12 ILE 6 1.431 -7.455 3.629 57 2HG1 ILE 6 HG11 ILE 6 0.112 -6.625 2.819 58 1HG2 ILE 6 HG21 ILE 6 3.851 -7.235 2.574 59 2HG2 ILE 6 HG23 ILE 6 3.045 -8.432 1.570 60 3HG2 ILE 6 HG22 ILE 6 3.860 -7.067 0.822 61 1HD1 ILE 6 HD3 ILE 6 0.628 -8.561 0.979 62 2HD1 ILE 6 HD2 ILE 6 1.108 -9.404 2.447 63 3HD1 ILE 6 HD1 ILE 6 -0.525 -8.769 2.292 64 H LEU 7 HN LEU 7 4.235 -4.014 3.441 65 HA LEU 7 HA LEU 7 5.437 -2.943 1.012 66 1HB LEU 7 HB2 LEU 7 6.238 -2.876 3.910 67 2HB LEU 7 HB1 LEU 7 7.217 -2.150 2.642 68 HG LEU 7 HG LEU 7 4.329 -1.471 2.576 69 1HD1 LEU 7 HD12 LEU 7 6.192 -0.544 4.784 70 2HD1 LEU 7 HD11 LEU 7 4.692 0.280 4.366 71 3HD1 LEU 7 HD13 LEU 7 4.650 -1.371 4.978 72 1HD2 LEU 7 HD23 LEU 7 6.107 -0.531 1.060 73 2HD2 LEU 7 HD22 LEU 7 5.230 0.705 1.956 74 3HD2 LEU 7 HD21 LEU 7 6.845 0.226 2.469 75 H ASN 8 HN ASN 8 6.684 -4.077 -0.298 76 HA ASN 8 HA ASN 8 8.339 -6.275 0.853 77 1HB ASN 8 HB2 ASN 8 6.710 -5.992 -1.556 78 2HB ASN 8 HB1 ASN 8 8.328 -6.552 -1.920 79 1HD2 ASN 8 HD22 ASN 8 5.789 -9.225 -0.703 80 2HD2 ASN 8 HD21 ASN 8 5.458 -7.820 -1.584 81 H GLY 9 HN GLY 9 9.087 -3.550 1.029 82 1HA GLY 9 HA2 GLY 9 10.762 -2.606 -1.035 83 2HA GLY 9 HA1 GLY 9 10.987 -2.215 0.664 84 H LYS 10 HN LYS 10 12.905 -2.880 -1.529 85 HA LYS 10 HA LYS 10 14.032 -5.479 -0.960 86 1HB LYS 10 HB2 LYS 10 14.484 -4.335 -3.081 87 2HB LYS 10 HB1 LYS 10 15.284 -3.023 -2.220 88 1HG LYS 10 HG2 LYS 10 17.200 -4.217 -1.966 89 2HG LYS 10 HG1 LYS 10 16.326 -5.671 -1.493 90 1HD LYS 10 HD2 LYS 10 17.530 -6.008 -3.633 91 2HD LYS 10 HD1 LYS 10 15.789 -6.130 -3.860 92 1HE LYS 10 HE2 LYS 10 16.707 -3.375 -4.118 93 2HE LYS 10 HE1 LYS 10 17.529 -4.434 -5.257 94 1HZ LYS 10 HZ3 LYS 10 14.884 -5.194 -5.301 95 2HZ LYS 10 HZ2 LYS 10 14.860 -3.496 -5.298 96 3HZ LYS 10 HZ1 LYS 10 15.724 -4.331 -6.499 97 H THR 11 HN THR 11 14.535 -2.236 0.255 98 HA THR 11 HA THR 11 16.638 -3.238 2.106 99 HB THR 11 HB THR 11 16.678 -0.591 2.560 100 HG1 THR 11 HG1 THR 11 15.249 0.265 1.253 101 1HG2 THR 11 HG22 THR 11 17.833 -2.240 0.347 102 2HG2 THR 11 HG21 THR 11 17.912 -0.492 0.152 103 3HG2 THR 11 HG23 THR 11 18.669 -1.257 1.545 104 H LEU 12 HN LEU 12 13.374 -2.930 2.037 105 HA LEU 12 HA LEU 12 13.190 -3.015 4.956 106 1HB LEU 12 HB2 LEU 12 13.279 -0.517 4.231 107 2HB LEU 12 HB1 LEU 12 11.650 -0.794 3.632 108 HG LEU 12 HG LEU 12 11.065 -1.720 5.933 109 1HD1 LEU 12 HD13 LEU 12 13.909 -1.261 6.306 110 2HD1 LEU 12 HD12 LEU 12 12.987 -0.306 7.459 111 3HD1 LEU 12 HD11 LEU 12 12.769 -2.050 7.388 112 1HD2 LEU 12 HD23 LEU 12 10.507 0.598 5.149 113 2HD2 LEU 12 HD22 LEU 12 10.753 0.504 6.890 114 3HD2 LEU 12 HD21 LEU 12 12.018 1.163 5.856 115 H LYS 13 HN LYS 13 11.180 -3.754 5.695 116 HA LYS 13 HA LYS 13 9.090 -4.314 3.659 117 1HB LYS 13 HB2 LYS 13 10.332 -6.451 5.427 118 2HB LYS 13 HB1 LYS 13 8.930 -6.677 4.395 119 1HG LYS 13 HG2 LYS 13 10.623 -7.439 2.981 120 2HG LYS 13 HG1 LYS 13 10.517 -5.757 2.494 121 1HD LYS 13 HD2 LYS 13 12.740 -5.623 2.934 122 2HD LYS 13 HD1 LYS 13 12.330 -5.715 4.638 123 1HE LYS 13 HE2 LYS 13 13.942 -7.468 4.133 124 2HE LYS 13 HE1 LYS 13 12.384 -8.219 4.460 125 1HZ LYS 13 HZ2 LYS 13 12.361 -7.699 1.775 126 2HZ LYS 13 HZ1 LYS 13 13.938 -8.251 2.077 127 3HZ LYS 13 HZ3 LYS 13 12.604 -9.210 2.511 128 H GLY 14 HN GLY 14 7.011 -4.502 4.545 129 1HA GLY 14 HA2 GLY 14 6.494 -4.785 7.356 130 2HA GLY 14 HA1 GLY 14 6.476 -3.078 6.927 131 H GLU 15 HN GLU 15 4.224 -3.095 7.531 132 HA GLU 15 HA GLU 15 2.445 -3.372 5.307 133 1HB GLU 15 HB2 GLU 15 1.008 -5.201 6.258 134 2HB GLU 15 HB1 GLU 15 2.585 -5.760 5.717 135 1HG GLU 15 HG2 GLU 15 2.848 -4.897 8.435 136 2HG GLU 15 HG1 GLU 15 1.451 -5.964 8.338 137 H THR 16 HN THR 16 0.585 -2.226 5.689 138 HA THR 16 HA THR 16 -0.294 -1.711 8.448 139 HB THR 16 HB THR 16 1.411 0.041 8.245 140 HG1 THR 16 HG1 THR 16 -0.069 1.322 9.049 141 1HG2 THR 16 HG22 THR 16 0.795 0.025 5.524 142 2HG2 THR 16 HG21 THR 16 0.033 1.503 6.097 143 3HG2 THR 16 HG23 THR 16 1.760 1.255 6.330 144 H THR 17 HN THR 17 -2.396 -0.828 8.563 145 HA THR 17 HA THR 17 -3.915 -1.091 6.007 146 HB THR 17 HB THR 17 -5.795 -1.759 7.312 147 HG1 THR 17 HG1 THR 17 -5.676 -1.219 9.618 148 1HG2 THR 17 HG22 THR 17 -3.416 -3.082 7.831 149 2HG2 THR 17 HG21 THR 17 -3.925 -2.598 9.444 150 3HG2 THR 17 HG23 THR 17 -4.984 -3.591 8.448 151 H THR 18 HN THR 18 -5.108 0.559 5.206 152 HA THR 18 HA THR 18 -5.296 3.068 6.826 153 HB THR 18 HB THR 18 -3.494 3.041 4.898 154 HG1 THR 18 HG1 THR 18 -4.554 5.228 4.369 155 1HG2 THR 18 HG22 THR 18 -5.445 2.196 3.278 156 2HG2 THR 18 HG21 THR 18 -5.877 3.902 3.275 157 3HG2 THR 18 HG23 THR 18 -4.288 3.396 2.712 158 H GLU 19 HN GLU 19 -7.165 4.271 6.537 159 HA GLU 19 HA GLU 19 -9.430 2.777 5.393 160 1HB GLU 19 HB2 GLU 19 -9.524 5.521 6.650 161 2HB GLU 19 HB1 GLU 19 -10.824 4.341 6.525 162 1HG GLU 19 HG2 GLU 19 -9.478 2.792 7.984 163 2HG GLU 19 HG1 GLU 19 -8.303 4.088 8.199 164 H ALA 20 HN ALA 20 -10.231 3.120 3.421 165 HA ALA 20 HA ALA 20 -9.825 5.772 2.129 166 1HB ALA 20 HB3 ALA 20 -8.607 3.230 1.339 167 2HB ALA 20 HB2 ALA 20 -9.506 3.993 0.031 168 3HB ALA 20 HB1 ALA 20 -8.205 4.867 0.833 169 H VAL 21 HN VAL 21 -11.452 6.361 0.705 170 HA VAL 21 HA VAL 21 -13.938 4.800 0.952 171 HB VAL 21 HB VAL 21 -13.709 7.379 1.102 172 1HG1 VAL 21 HG11 VAL 21 -12.463 7.252 -1.230 173 2HG1 VAL 21 HG13 VAL 21 -14.098 7.256 -1.876 174 3HG1 VAL 21 HG12 VAL 21 -13.540 8.599 -0.885 175 1HG2 VAL 21 HG21 VAL 21 -15.763 5.747 -0.340 176 2HG2 VAL 21 HG23 VAL 21 -15.918 6.672 1.150 177 3HG2 VAL 21 HG22 VAL 21 -15.920 7.500 -0.404 178 H ASP 22 HN ASP 22 -11.398 5.197 -1.299 179 HA ASP 22 HA ASP 22 -12.816 3.423 -3.188 180 1HB ASP 22 HB2 ASP 22 -12.604 4.836 -5.085 181 2HB ASP 22 HB1 ASP 22 -13.239 5.882 -3.818 182 H ALA 23 HN ALA 23 -11.217 2.999 -5.128 183 HA ALA 23 HA ALA 23 -8.774 1.982 -3.890 184 1HB ALA 23 HB3 ALA 23 -10.207 1.635 -6.445 185 2HB ALA 23 HB2 ALA 23 -8.455 1.502 -6.556 186 3HB ALA 23 HB1 ALA 23 -9.351 0.448 -5.467 187 H ALA 24 HN ALA 24 -9.570 4.413 -6.342 188 HA ALA 24 HA ALA 24 -6.987 5.127 -7.166 189 1HB ALA 24 HB3 ALA 24 -9.284 6.055 -7.929 190 2HB ALA 24 HB2 ALA 24 -9.084 7.219 -6.623 191 3HB ALA 24 HB1 ALA 24 -7.910 7.157 -7.934 192 H THR 25 HN THR 25 -8.816 6.557 -4.465 193 HA THR 25 HA THR 25 -6.613 8.161 -3.555 194 HB THR 25 HB THR 25 -8.985 8.628 -2.890 195 HG1 THR 25 HG1 THR 25 -7.822 8.082 -0.478 196 1HG2 THR 25 HG21 THR 25 -9.363 6.050 -2.395 197 2HG2 THR 25 HG23 THR 25 -8.649 6.449 -0.836 198 3HG2 THR 25 HG22 THR 25 -10.129 7.245 -1.356 199 H ALA 26 HN ALA 26 -7.593 4.861 -2.956 200 HA ALA 26 HA ALA 26 -5.928 4.429 -0.654 201 1HB ALA 26 HB1 ALA 26 -7.783 2.906 -1.387 202 2HB ALA 26 HB3 ALA 26 -6.762 2.385 -2.724 203 3HB ALA 26 HB2 ALA 26 -6.271 2.065 -1.062 204 H GLU 27 HN GLU 27 -5.357 4.399 -4.098 205 HA GLU 27 HA GLU 27 -2.785 3.109 -4.021 206 1HB GLU 27 HB2 GLU 27 -4.113 4.942 -6.022 207 2HB GLU 27 HB1 GLU 27 -2.526 4.238 -6.287 208 1HG GLU 27 HG2 GLU 27 -3.526 1.966 -5.941 209 2HG GLU 27 HG1 GLU 27 -5.110 2.721 -5.823 210 H LYS 28 HN LYS 28 -3.717 6.542 -4.299 211 HA LYS 28 HA LYS 28 -0.972 7.450 -4.034 212 1HB LYS 28 HB2 LYS 28 -1.846 9.653 -4.176 213 2HB LYS 28 HB1 LYS 28 -2.889 8.678 -5.203 214 1HG LYS 28 HG2 LYS 28 -4.232 8.375 -2.911 215 2HG LYS 28 HG1 LYS 28 -3.469 9.914 -2.544 216 1HD LYS 28 HD2 LYS 28 -5.159 9.293 -4.990 217 2HD LYS 28 HD1 LYS 28 -5.643 10.296 -3.628 218 1HE LYS 28 HE2 LYS 28 -3.617 10.867 -5.776 219 2HE LYS 28 HE1 LYS 28 -4.908 11.897 -5.172 220 1HZ LYS 28 HZ2 LYS 28 -3.501 11.686 -2.976 221 2HZ LYS 28 HZ1 LYS 28 -2.242 11.428 -4.087 222 3HZ LYS 28 HZ3 LYS 28 -3.155 12.859 -4.154 223 H VAL 29 HN VAL 29 -3.558 6.769 -1.810 224 HA VAL 29 HA VAL 29 -2.565 8.322 0.405 225 HB VAL 29 HB VAL 29 -4.357 5.911 0.197 226 1HG1 VAL 29 HG11 VAL 29 -3.194 7.235 2.643 227 2HG1 VAL 29 HG13 VAL 29 -4.781 6.476 2.705 228 3HG1 VAL 29 HG12 VAL 29 -3.361 5.516 2.301 229 1HG2 VAL 29 HG22 VAL 29 -4.867 8.521 -0.270 230 2HG2 VAL 29 HG21 VAL 29 -6.070 7.438 0.425 231 3HG2 VAL 29 HG23 VAL 29 -5.124 8.492 1.471 232 H PHE 30 HN PHE 30 -2.440 4.786 -0.057 233 HA PHE 30 HA PHE 30 -0.541 4.259 1.956 234 1HB PHE 30 HB2 PHE 30 -1.332 2.875 -0.578 235 2HB PHE 30 HB1 PHE 30 0.121 2.325 0.244 236 HD1 PHE 30 HD1 PHE 30 -0.264 2.198 2.974 237 HD2 PHE 30 HD2 PHE 30 -3.284 1.732 0.003 238 HE1 PHE 30 HE1 PHE 30 -1.657 0.954 4.573 239 HE2 PHE 30 HE2 PHE 30 -4.653 0.486 1.607 240 HZ PHE 30 HZ PHE 30 -3.835 0.056 3.879 241 H LYS 31 HN LYS 31 -0.078 5.278 -1.390 242 HA LYS 31 HA LYS 31 2.751 4.969 -1.500 243 1HB LYS 31 HB2 LYS 31 1.392 5.436 -3.495 244 2HB LYS 31 HB1 LYS 31 1.006 7.034 -2.862 245 1HG LYS 31 HG2 LYS 31 3.136 7.860 -3.253 246 2HG LYS 31 HG1 LYS 31 3.896 6.284 -3.065 247 1HD LYS 31 HD2 LYS 31 3.250 5.588 -5.240 248 2HD LYS 31 HD1 LYS 31 2.046 6.865 -5.383 249 1HE LYS 31 HE2 LYS 31 4.892 7.681 -4.950 250 2HE LYS 31 HE1 LYS 31 4.450 7.078 -6.542 251 1HZ LYS 31 HZ1 LYS 31 2.595 8.984 -5.434 252 2HZ LYS 31 HZ3 LYS 31 4.145 9.612 -5.729 253 3HZ LYS 31 HZ2 LYS 31 3.266 8.894 -6.992 254 H GLN 32 HN GLN 32 0.711 7.420 -0.091 255 HA GLN 32 HA GLN 32 2.787 9.377 0.343 256 1HB GLN 32 HB2 GLN 32 0.289 9.802 0.447 257 2HB GLN 32 HB1 GLN 32 0.281 8.979 2.001 258 1HG GLN 32 HG2 GLN 32 2.138 10.628 2.699 259 2HG GLN 32 HG1 GLN 32 1.707 11.546 1.258 260 1HE2 GLN 32 HE22 GLN 32 -0.372 12.385 4.430 261 2HE2 GLN 32 HE21 GLN 32 1.267 11.955 4.333 262 OH TYR 33 OH TYR 33 4.910 2.464 8.366 263 H TYR 33 HN TYR 33 1.737 6.506 1.992 264 HA TYR 33 HA TYR 33 3.166 7.059 4.465 265 1HB TYR 33 HB2 TYR 33 1.273 5.508 4.477 266 2HB TYR 33 HB1 TYR 33 2.090 4.471 3.314 267 HD1 TYR 33 HD1 TYR 33 4.243 3.340 3.977 268 HD2 TYR 33 HD2 TYR 33 1.815 5.379 6.811 269 HE1 TYR 33 HE1 TYR 33 5.397 2.181 5.798 270 HE2 TYR 33 HE2 TYR 33 2.969 4.216 8.635 271 HH TYR 33 HH TYR 33 5.527 3.080 8.768 272 H ALA 34 HN ALA 34 3.710 4.759 1.816 273 HA ALA 34 HA ALA 34 6.280 3.890 2.566 274 1HB ALA 34 HB2 ALA 34 4.685 3.939 0.100 275 2HB ALA 34 HB1 ALA 34 6.422 3.963 -0.189 276 3HB ALA 34 HB3 ALA 34 5.704 2.658 0.749 277 H ASN 35 HN ASN 35 5.248 6.841 1.022 278 HA ASN 35 HA ASN 35 7.720 7.783 0.014 279 1HB ASN 35 HB2 ASN 35 5.980 9.171 -0.611 280 2HB ASN 35 HB1 ASN 35 5.195 9.063 0.959 281 1HD2 ASN 35 HD22 ASN 35 6.577 12.114 1.984 282 2HD2 ASN 35 HD21 ASN 35 5.289 11.010 2.051 283 H ASP 36 HN ASP 36 6.412 7.783 3.272 284 HA ASP 36 HA ASP 36 8.468 9.491 4.392 285 1HB ASP 36 HB2 ASP 36 6.231 7.852 5.407 286 2HB ASP 36 HB1 ASP 36 7.582 8.037 6.519 287 H ASN 37 HN ASN 37 8.893 6.709 2.906 288 HA ASN 37 HA ASN 37 11.160 5.917 4.680 289 1HB ASN 37 HB2 ASN 37 9.292 3.977 3.289 290 2HB ASN 37 HB1 ASN 37 10.675 3.551 4.294 291 1HD2 ASN 37 HD22 ASN 37 7.231 4.906 6.064 292 2HD2 ASN 37 HD21 ASN 37 7.477 5.150 4.401 293 H GLY 38 HN GLY 38 9.755 6.085 1.483 294 1HA GLY 38 HA2 GLY 38 11.136 6.677 -0.440 295 2HA GLY 38 HA1 GLY 38 12.503 5.892 0.343 296 H VAL 39 HN VAL 39 9.390 4.358 0.331 297 HA VAL 39 HA VAL 39 10.513 2.211 -1.389 298 HB VAL 39 HB VAL 39 7.952 2.232 0.232 299 1HG1 VAL 39 HG13 VAL 39 9.556 0.011 -1.083 300 2HG1 VAL 39 HG12 VAL 39 8.157 -0.240 -0.044 301 3HG1 VAL 39 HG11 VAL 39 7.970 0.581 -1.590 302 1HG2 VAL 39 HG23 VAL 39 10.671 2.135 1.089 303 2HG2 VAL 39 HG22 VAL 39 9.228 1.861 2.060 304 3HG2 VAL 39 HG21 VAL 39 10.017 0.509 1.255 305 H ASP 40 HN ASP 40 10.289 3.487 -3.348 306 HA ASP 40 HA ASP 40 7.465 3.544 -4.354 307 1HB ASP 40 HB2 ASP 40 9.583 5.364 -5.451 308 2HB ASP 40 HB1 ASP 40 7.835 5.579 -5.434 309 H GLY 41 HN GLY 41 7.138 2.174 -5.976 310 1HA GLY 41 HA2 GLY 41 8.946 1.924 -8.208 311 2HA GLY 41 HA1 GLY 41 9.078 0.522 -7.150 312 H GLU 42 HN GLU 42 7.645 -1.084 -7.427 313 HA GLU 42 HA GLU 42 5.426 -0.636 -9.355 314 1HB GLU 42 HB2 GLU 42 6.559 -3.184 -8.193 315 2HB GLU 42 HB1 GLU 42 5.301 -3.106 -9.416 316 1HG GLU 42 HG2 GLU 42 6.767 -2.366 -11.071 317 2HG GLU 42 HG1 GLU 42 7.874 -1.639 -9.910 318 CH2 TRP 43 CH2 TRP 43 2.240 2.371 -2.080 319 H TRP 43 HN TRP 43 3.293 -0.981 -8.816 320 HA TRP 43 HA TRP 43 2.730 -1.531 -5.923 321 1HB TRP 43 HB2 TRP 43 1.619 0.554 -7.779 322 2HB TRP 43 HB1 TRP 43 0.716 0.034 -6.366 323 HD1 TRP 43 HD1 TRP 43 4.250 1.320 -7.272 324 HE1 TRP 43 HE1 TRP 43 5.048 2.677 -5.278 325 HE3 TRP 43 HE3 TRP 43 0.429 0.502 -4.197 326 HZ2 TRP 43 HZ2 TRP 43 4.123 3.273 -2.518 327 HZ3 TRP 43 HZ3 TRP 43 0.367 1.368 -1.914 328 HH2 TRP 43 HH2 TRP 43 2.211 2.746 -1.068 329 H THR 44 HN THR 44 1.321 -3.108 -5.530 330 HA THR 44 HA THR 44 -0.362 -4.107 -7.799 331 HB THR 44 HB THR 44 -0.132 -6.374 -6.494 332 HG1 THR 44 HG1 THR 44 1.362 -6.304 -4.949 333 1HG2 THR 44 HG23 THR 44 1.965 -4.964 -8.121 334 2HG2 THR 44 HG22 THR 44 2.423 -6.458 -7.308 335 3HG2 THR 44 HG21 THR 44 1.111 -6.461 -8.483 336 OH TYR 45 OH TYR 45 -8.925 -1.373 -3.105 337 H TYR 45 HN TYR 45 -2.463 -4.534 -7.414 338 HA TYR 45 HA TYR 45 -3.535 -3.892 -4.685 339 1HB TYR 45 HB2 TYR 45 -4.103 -2.428 -6.753 340 2HB TYR 45 HB1 TYR 45 -5.090 -3.789 -7.285 341 HD1 TYR 45 HD1 TYR 45 -6.574 -4.734 -4.975 342 HD2 TYR 45 HD2 TYR 45 -5.411 -0.749 -5.867 343 HE1 TYR 45 HE1 TYR 45 -8.345 -3.896 -3.526 344 HE2 TYR 45 HE2 TYR 45 -7.230 0.090 -4.472 345 HH TYR 45 HH TYR 45 -9.078 -0.453 -3.334 346 H ASP 46 HN ASP 46 -4.522 -5.527 -3.638 347 HA ASP 46 HA ASP 46 -5.173 -8.006 -5.177 348 1HB ASP 46 HB2 ASP 46 -3.572 -7.999 -3.134 349 2HB ASP 46 HB1 ASP 46 -5.039 -7.822 -2.177 350 H ASP 47 HN ASP 47 -7.154 -6.786 -5.874 351 HA ASP 47 HA ASP 47 -9.197 -6.076 -3.986 352 1HB ASP 47 HB2 ASP 47 -9.111 -5.308 -6.371 353 2HB ASP 47 HB1 ASP 47 -9.568 -6.935 -6.867 354 H ALA 48 HN ALA 48 -7.904 -9.004 -4.397 355 HA ALA 48 HA ALA 48 -10.403 -10.567 -4.448 356 1HB ALA 48 HB2 ALA 48 -7.858 -11.119 -5.289 357 2HB ALA 48 HB1 ALA 48 -7.901 -11.952 -3.741 358 3HB ALA 48 HB3 ALA 48 -9.087 -12.341 -4.981 359 H THR 49 HN THR 49 -8.220 -9.234 -2.125 360 HA THR 49 HA THR 49 -9.887 -10.402 0.042 361 HB THR 49 HB THR 49 -8.031 -11.311 1.260 362 HG1 THR 49 HG1 THR 49 -6.399 -9.983 -0.653 363 1HG2 THR 49 HG23 THR 49 -8.491 -12.518 -1.011 364 2HG2 THR 49 HG22 THR 49 -7.051 -11.681 -1.581 365 3HG2 THR 49 HG21 THR 49 -6.936 -12.817 -0.241 366 H LYS 50 HN LYS 50 -9.084 -7.710 -1.307 367 HA LYS 50 HA LYS 50 -8.814 -5.494 -0.585 368 1HB LYS 50 HB2 LYS 50 -9.640 -6.527 2.131 369 2HB LYS 50 HB1 LYS 50 -9.859 -4.904 1.486 370 1HG LYS 50 HG2 LYS 50 -11.223 -6.095 -0.399 371 2HG LYS 50 HG1 LYS 50 -11.303 -7.442 0.731 372 1HD LYS 50 HD2 LYS 50 -12.079 -5.660 2.463 373 2HD LYS 50 HD1 LYS 50 -12.397 -4.647 1.059 374 1HE LYS 50 HE2 LYS 50 -14.453 -5.747 1.365 375 2HE LYS 50 HE1 LYS 50 -13.670 -6.742 0.143 376 1HZ LYS 50 HZ3 LYS 50 -13.448 -7.319 3.034 377 2HZ LYS 50 HZ2 LYS 50 -14.703 -7.942 2.075 378 3HZ LYS 50 HZ1 LYS 50 -13.090 -8.343 1.728 379 H THR 51 HN THR 51 -6.478 -6.411 -0.862 380 HA THR 51 HA THR 51 -4.970 -5.560 1.563 381 HB THR 51 HB THR 51 -4.531 -8.190 0.066 382 HG1 THR 51 HG1 THR 51 -5.210 -7.419 2.719 383 1HG2 THR 51 HG23 THR 51 -2.531 -6.658 1.300 384 2HG2 THR 51 HG22 THR 51 -3.084 -7.728 2.578 385 3HG2 THR 51 HG21 THR 51 -2.482 -8.397 1.067 386 H PHE 52 HN PHE 52 -3.746 -3.882 0.824 387 HA PHE 52 HA PHE 52 -3.045 -3.676 -2.003 388 1HB PHE 52 HB2 PHE 52 -3.065 -1.941 0.307 389 2HB PHE 52 HB1 PHE 52 -1.542 -1.811 -0.561 390 HD1 PHE 52 HD1 PHE 52 -1.533 -1.147 -2.981 391 HD2 PHE 52 HD2 PHE 52 -5.118 -1.258 -0.728 392 HE1 PHE 52 HE1 PHE 52 -2.687 0.157 -4.724 393 HE2 PHE 52 HE2 PHE 52 -6.226 0.141 -2.378 394 HZ PHE 52 HZ PHE 52 -5.000 0.903 -4.358 395 H THR 53 HN THR 53 -0.734 -3.348 -2.648 396 HA THR 53 HA THR 53 1.300 -4.428 -0.845 397 HB THR 53 HB THR 53 0.454 -5.989 -3.314 398 HG1 THR 53 HG1 THR 53 0.288 -6.160 -0.514 399 1HG2 THR 53 HG22 THR 53 2.825 -6.200 -1.432 400 2HG2 THR 53 HG21 THR 53 2.209 -7.605 -2.295 401 3HG2 THR 53 HG23 THR 53 2.849 -6.233 -3.193 402 H VAL 54 HN VAL 54 3.359 -3.904 -1.489 403 HA VAL 54 HA VAL 54 3.739 -2.738 -4.184 404 HB VAL 54 HB VAL 54 3.050 -0.875 -2.631 405 1HG1 VAL 54 HG13 VAL 54 4.185 -1.960 -0.646 406 2HG1 VAL 54 HG12 VAL 54 5.717 -1.399 -1.305 407 3HG1 VAL 54 HG11 VAL 54 4.484 -0.239 -0.825 408 1HG2 VAL 54 HG22 VAL 54 5.846 -0.891 -3.797 409 2HG2 VAL 54 HG21 VAL 54 4.384 -0.236 -4.514 410 3HG2 VAL 54 HG23 VAL 54 5.110 0.555 -3.125 411 H THR 55 HN THR 55 5.903 -2.763 -4.839 412 HA THR 55 HA THR 55 7.890 -3.933 -2.957 413 HB THR 55 HB THR 55 7.276 -5.153 -5.685 414 HG1 THR 55 HG1 THR 55 6.032 -5.313 -3.422 415 1HG2 THR 55 HG22 THR 55 9.436 -5.494 -3.668 416 2HG2 THR 55 HG21 THR 55 8.652 -6.986 -4.179 417 3HG2 THR 55 HG23 THR 55 9.422 -5.945 -5.367 418 H GLU 56 HN GLU 56 9.559 -2.526 -3.062 419 HA GLU 56 HA GLU 56 9.995 -0.714 -5.247 420 1HB GLU 56 HB2 GLU 56 10.982 -0.974 -2.676 421 2HB GLU 56 HB1 GLU 56 12.386 -1.332 -3.672 422 1HG GLU 56 HG2 GLU 56 10.616 1.126 -3.926 423 2HG GLU 56 HG1 GLU 56 12.236 1.094 -3.233 Start of MODEL 5 Raw file had 423 H/Q atoms Entry Start of MODEL 5 1 1H MET 1 HT3 MET 1 -13.455 2.410 5.017 2 2H MET 1 HT2 MET 1 -14.239 2.303 3.515 3 3H MET 1 HT1 MET 1 -14.930 1.579 4.887 4 HA MET 1 HA MET 1 -13.669 -0.243 4.752 5 1HB MET 1 HB2 MET 1 -12.755 0.613 2.034 6 2HB MET 1 HB1 MET 1 -13.394 -0.941 2.558 7 1HG MET 1 HG2 MET 1 -14.865 1.601 1.943 8 2HG MET 1 HG1 MET 1 -15.140 0.002 1.303 9 1HE MET 1 HE2 MET 1 -17.322 1.457 1.557 10 2HE MET 1 HE1 MET 1 -18.412 1.259 2.930 11 3HE MET 1 HE3 MET 1 -17.157 2.499 2.971 12 H THR 2 HN THR 2 -11.567 -1.207 4.677 13 HA THR 2 HA THR 2 -9.276 0.678 4.485 14 HB THR 2 HB THR 2 -9.697 -1.127 6.904 15 HG1 THR 2 HG1 THR 2 -10.456 0.703 7.829 16 1HG2 THR 2 HG21 THR 2 -7.356 0.025 5.931 17 2HG2 THR 2 HG23 THR 2 -7.966 1.252 7.034 18 3HG2 THR 2 HG22 THR 2 -7.649 -0.376 7.620 19 OH TYR 3 OH TYR 3 -11.509 0.227 -1.024 20 H TYR 3 HN TYR 3 -7.709 -0.230 3.305 21 HA TYR 3 HA TYR 3 -7.771 -3.187 2.933 22 1HB TYR 3 HB2 TYR 3 -6.058 -1.249 1.378 23 2HB TYR 3 HB1 TYR 3 -6.574 -2.864 0.909 24 HD1 TYR 3 HD1 TYR 3 -7.890 0.548 1.678 25 HD2 TYR 3 HD2 TYR 3 -8.604 -3.162 -0.272 26 HE1 TYR 3 HE1 TYR 3 -9.891 1.488 0.620 27 HE2 TYR 3 HE2 TYR 3 -10.602 -2.220 -1.335 28 HH TYR 3 HH TYR 3 -12.277 -0.106 -0.554 29 H LYS 4 HN LYS 4 -5.441 -4.098 2.567 30 HA LYS 4 HA LYS 4 -3.756 -3.157 4.869 31 1HB LYS 4 HB2 LYS 4 -4.984 -5.427 5.000 32 2HB LYS 4 HB1 LYS 4 -3.832 -5.976 3.797 33 1HG LYS 4 HG2 LYS 4 -1.963 -5.385 5.267 34 2HG LYS 4 HG1 LYS 4 -3.082 -4.755 6.465 35 1HD LYS 4 HD2 LYS 4 -3.479 -6.822 7.289 36 2HD LYS 4 HD1 LYS 4 -3.839 -7.444 5.683 37 1HE LYS 4 HE2 LYS 4 -1.839 -8.521 6.837 38 2HE LYS 4 HE1 LYS 4 -1.518 -7.876 5.233 39 1HZ LYS 4 HZ2 LYS 4 -1.004 -6.384 7.742 40 2HZ LYS 4 HZ1 LYS 4 0.169 -7.303 6.928 41 3HZ LYS 4 HZ3 LYS 4 -0.524 -5.952 6.171 42 H LEU 5 HN LEU 5 -1.930 -2.239 4.121 43 HA LEU 5 HA LEU 5 -0.906 -2.932 1.464 44 1HB LEU 5 HB2 LEU 5 -0.763 -0.607 2.082 45 2HB LEU 5 HB1 LEU 5 -0.003 -0.992 3.616 46 HG LEU 5 HG LEU 5 2.024 -1.837 2.311 47 1HD1 LEU 5 HD13 LEU 5 0.516 -0.600 -0.018 48 2HD1 LEU 5 HD12 LEU 5 2.183 -1.154 -0.072 49 3HD1 LEU 5 HD11 LEU 5 0.881 -2.308 0.163 50 1HD2 LEU 5 HD23 LEU 5 1.472 0.684 3.092 51 2HD2 LEU 5 HD22 LEU 5 2.951 0.267 2.236 52 3HD2 LEU 5 HD21 LEU 5 1.589 0.953 1.357 53 H ILE 6 HN ILE 6 1.182 -3.795 1.082 54 HA ILE 6 HA ILE 6 2.573 -5.026 3.364 55 HB ILE 6 HB ILE 6 1.941 -6.503 0.797 56 1HG1 ILE 6 HG12 ILE 6 0.680 -6.556 3.554 57 2HG1 ILE 6 HG11 ILE 6 -0.121 -6.296 2.010 58 1HG2 ILE 6 HG22 ILE 6 4.080 -7.058 2.134 59 2HG2 ILE 6 HG21 ILE 6 3.003 -7.608 3.411 60 3HG2 ILE 6 HG23 ILE 6 2.979 -8.395 1.836 61 1HD1 ILE 6 HD1 ILE 6 0.689 -8.664 1.380 62 2HD1 ILE 6 HD3 ILE 6 1.052 -8.869 3.091 63 3HD1 ILE 6 HD2 ILE 6 -0.600 -8.563 2.574 64 H LEU 7 HN LEU 7 4.434 -3.908 3.286 65 HA LEU 7 HA LEU 7 5.579 -3.027 0.756 66 1HB LEU 7 HB2 LEU 7 6.692 -2.925 3.561 67 2HB LEU 7 HB1 LEU 7 7.389 -2.111 2.167 68 HG LEU 7 HG LEU 7 4.514 -1.584 2.510 69 1HD1 LEU 7 HD13 LEU 7 6.506 -0.640 4.603 70 2HD1 LEU 7 HD12 LEU 7 4.854 -0.053 4.440 71 3HD1 LEU 7 HD11 LEU 7 5.151 -1.729 4.888 72 1HD2 LEU 7 HD23 LEU 7 6.058 -0.399 0.939 73 2HD2 LEU 7 HD22 LEU 7 5.275 0.704 2.065 74 3HD2 LEU 7 HD21 LEU 7 6.948 0.223 2.325 75 H ASN 8 HN ASN 8 6.855 -4.162 -0.514 76 HA ASN 8 HA ASN 8 8.272 -6.522 0.635 77 1HB ASN 8 HB2 ASN 8 6.756 -6.076 -1.774 78 2HB ASN 8 HB1 ASN 8 8.391 -6.542 -2.202 79 1HD2 ASN 8 HD22 ASN 8 5.963 -9.416 -1.249 80 2HD2 ASN 8 HD21 ASN 8 5.579 -7.948 -1.996 81 H GLY 9 HN GLY 9 9.208 -3.845 0.951 82 1HA GLY 9 HA2 GLY 9 11.111 -2.977 -0.913 83 2HA GLY 9 HA1 GLY 9 11.261 -2.708 0.812 84 H LYS 10 HN LYS 10 13.089 -3.611 -1.514 85 HA LYS 10 HA LYS 10 13.996 -6.260 -0.825 86 1HB LYS 10 HB2 LYS 10 15.484 -3.987 -2.174 87 2HB LYS 10 HB1 LYS 10 16.017 -5.664 -2.131 88 1HG LYS 10 HG2 LYS 10 13.703 -6.221 -3.160 89 2HG LYS 10 HG1 LYS 10 13.599 -4.503 -3.524 90 1HD LYS 10 HD2 LYS 10 14.719 -5.052 -5.433 91 2HD LYS 10 HD1 LYS 10 16.141 -5.096 -4.396 92 1HE LYS 10 HE2 LYS 10 14.385 -7.423 -5.223 93 2HE LYS 10 HE1 LYS 10 16.092 -7.193 -5.575 94 1HZ LYS 10 HZ2 LYS 10 16.391 -7.212 -3.067 95 2HZ LYS 10 HZ1 LYS 10 14.823 -7.860 -2.996 96 3HZ LYS 10 HZ3 LYS 10 16.049 -8.693 -3.826 97 H THR 11 HN THR 11 14.256 -3.250 0.656 98 HA THR 11 HA THR 11 16.336 -4.297 2.513 99 HB THR 11 HB THR 11 16.821 -1.659 2.687 100 HG1 THR 11 HG1 THR 11 15.248 -1.055 1.243 101 1HG2 THR 11 HG22 THR 11 17.713 -3.375 0.338 102 2HG2 THR 11 HG21 THR 11 18.501 -1.890 0.859 103 3HG2 THR 11 HG23 THR 11 18.520 -3.309 1.901 104 H LEU 12 HN LEU 12 13.197 -3.226 2.103 105 HA LEU 12 HA LEU 12 12.890 -2.935 5.032 106 1HB LEU 12 HB2 LEU 12 13.366 -0.636 4.128 107 2HB LEU 12 HB1 LEU 12 11.906 -0.771 3.159 108 HG LEU 12 HG LEU 12 10.591 -1.158 5.265 109 1HD1 LEU 12 HD13 LEU 12 13.344 -0.956 6.418 110 2HD1 LEU 12 HD12 LEU 12 12.038 -0.205 7.327 111 3HD1 LEU 12 HD11 LEU 12 11.976 -1.923 6.953 112 1HD2 LEU 12 HD22 LEU 12 10.962 1.121 4.193 113 2HD2 LEU 12 HD21 LEU 12 10.548 1.159 5.904 114 3HD2 LEU 12 HD23 LEU 12 12.217 1.393 5.397 115 H LYS 13 HN LYS 13 11.473 -4.596 5.249 116 HA LYS 13 HA LYS 13 9.051 -4.622 3.497 117 1HB LYS 13 HB2 LYS 13 10.212 -6.783 5.274 118 2HB LYS 13 HB1 LYS 13 8.757 -6.954 4.303 119 1HG LYS 13 HG2 LYS 13 10.058 -7.562 2.560 120 2HG LYS 13 HG1 LYS 13 10.736 -5.940 2.556 121 1HD LYS 13 HD2 LYS 13 12.570 -7.508 2.789 122 2HD LYS 13 HD1 LYS 13 12.361 -6.692 4.333 123 1HE LYS 13 HE2 LYS 13 10.619 -8.920 4.391 124 2HE LYS 13 HE1 LYS 13 12.135 -9.514 3.729 125 1HZ LYS 13 HZ3 LYS 13 11.860 -7.960 6.241 126 2HZ LYS 13 HZ2 LYS 13 12.072 -9.642 6.145 127 3HZ LYS 13 HZ1 LYS 13 13.303 -8.599 5.611 128 H GLY 14 HN GLY 14 7.001 -4.546 4.402 129 1HA GLY 14 HA2 GLY 14 6.561 -4.716 7.264 130 2HA GLY 14 HA1 GLY 14 6.545 -3.045 6.707 131 H GLU 15 HN GLU 15 4.293 -3.077 7.442 132 HA GLU 15 HA GLU 15 2.457 -3.456 5.273 133 1HB GLU 15 HB2 GLU 15 1.192 -5.334 5.970 134 2HB GLU 15 HB1 GLU 15 2.862 -5.855 6.136 135 1HG GLU 15 HG2 GLU 15 2.679 -4.969 8.576 136 2HG GLU 15 HG1 GLU 15 0.938 -5.011 8.304 137 H THR 16 HN THR 16 0.751 -2.141 5.596 138 HA THR 16 HA THR 16 -0.161 -1.547 8.339 139 HB THR 16 HB THR 16 1.529 0.185 8.130 140 HG1 THR 16 HG1 THR 16 -0.321 1.886 7.402 141 1HG2 THR 16 HG21 THR 16 1.178 -0.022 5.387 142 2HG2 THR 16 HG23 THR 16 0.325 1.470 5.756 143 3HG2 THR 16 HG22 THR 16 2.024 1.300 6.178 144 H THR 17 HN THR 17 -2.245 -0.598 8.409 145 HA THR 17 HA THR 17 -3.760 -0.943 5.858 146 HB THR 17 HB THR 17 -5.654 -1.533 7.165 147 HG1 THR 17 HG1 THR 17 -5.992 -0.346 8.893 148 1HG2 THR 17 HG21 THR 17 -3.305 -2.866 7.780 149 2HG2 THR 17 HG23 THR 17 -3.829 -2.305 9.361 150 3HG2 THR 17 HG22 THR 17 -4.887 -3.324 8.392 151 H THR 18 HN THR 18 -5.079 0.661 5.076 152 HA THR 18 HA THR 18 -5.069 3.270 6.544 153 HB THR 18 HB THR 18 -3.457 3.093 4.475 154 HG1 THR 18 HG1 THR 18 -5.545 5.021 4.691 155 1HG2 THR 18 HG23 THR 18 -5.523 2.137 3.093 156 2HG2 THR 18 HG22 THR 18 -5.985 3.834 3.012 157 3HG2 THR 18 HG21 THR 18 -4.443 3.308 2.345 158 H GLU 19 HN GLU 19 -6.944 4.443 6.452 159 HA GLU 19 HA GLU 19 -9.337 2.981 5.563 160 1HB GLU 19 HB2 GLU 19 -8.756 5.329 7.283 161 2HB GLU 19 HB1 GLU 19 -10.302 5.348 6.445 162 1HG GLU 19 HG2 GLU 19 -9.415 2.864 7.900 163 2HG GLU 19 HG1 GLU 19 -10.155 4.189 8.791 164 H ALA 20 HN ALA 20 -10.096 3.182 3.561 165 HA ALA 20 HA ALA 20 -9.989 5.850 2.243 166 1HB ALA 20 HB3 ALA 20 -8.671 3.351 1.349 167 2HB ALA 20 HB2 ALA 20 -9.537 4.245 0.106 168 3HB ALA 20 HB1 ALA 20 -8.246 5.025 1.013 169 H VAL 21 HN VAL 21 -11.630 6.178 0.677 170 HA VAL 21 HA VAL 21 -13.985 4.447 1.120 171 HB VAL 21 HB VAL 21 -14.338 6.848 1.288 172 1HG1 VAL 21 HG11 VAL 21 -12.630 6.853 -1.066 173 2HG1 VAL 21 HG13 VAL 21 -14.099 7.775 -1.356 174 3HG1 VAL 21 HG12 VAL 21 -13.053 8.189 -0.002 175 1HG2 VAL 21 HG23 VAL 21 -16.097 5.351 0.219 176 2HG2 VAL 21 HG22 VAL 21 -16.216 7.055 -0.208 177 3HG2 VAL 21 HG21 VAL 21 -15.515 5.911 -1.347 178 H ASP 22 HN ASP 22 -11.574 5.006 -1.263 179 HA ASP 22 HA ASP 22 -12.909 3.024 -3.020 180 1HB ASP 22 HB2 ASP 22 -12.814 4.357 -4.974 181 2HB ASP 22 HB1 ASP 22 -13.438 5.446 -3.739 182 H ALA 23 HN ALA 23 -11.283 2.700 -5.020 183 HA ALA 23 HA ALA 23 -8.783 1.819 -3.756 184 1HB ALA 23 HB1 ALA 23 -10.117 1.379 -6.400 185 2HB ALA 23 HB3 ALA 23 -8.392 1.058 -6.255 186 3HB ALA 23 HB2 ALA 23 -9.538 0.194 -5.234 187 H ALA 24 HN ALA 24 -9.757 4.060 -6.324 188 HA ALA 24 HA ALA 24 -7.220 4.880 -7.210 189 1HB ALA 24 HB1 ALA 24 -9.893 5.812 -7.460 190 2HB ALA 24 HB3 ALA 24 -8.906 7.194 -6.989 191 3HB ALA 24 HB2 ALA 24 -8.499 6.272 -8.434 192 H THR 25 HN THR 25 -9.141 6.303 -4.576 193 HA THR 25 HA THR 25 -7.096 8.130 -3.751 194 HB THR 25 HB THR 25 -9.551 8.258 -3.057 195 HG1 THR 25 HG1 THR 25 -7.597 9.228 -2.032 196 1HG2 THR 25 HG23 THR 25 -9.552 5.763 -2.291 197 2HG2 THR 25 HG22 THR 25 -8.678 6.343 -0.879 198 3HG2 THR 25 HG21 THR 25 -10.300 6.933 -1.212 199 H ALA 26 HN ALA 26 -7.846 4.801 -2.873 200 HA ALA 26 HA ALA 26 -6.078 4.553 -0.663 201 1HB ALA 26 HB1 ALA 26 -7.765 2.838 -1.347 202 2HB ALA 26 HB3 ALA 26 -6.727 2.413 -2.704 203 3HB ALA 26 HB2 ALA 26 -6.170 2.153 -1.053 204 H GLU 27 HN GLU 27 -5.495 4.316 -4.136 205 HA GLU 27 HA GLU 27 -2.826 3.319 -4.010 206 1HB GLU 27 HB2 GLU 27 -4.362 4.947 -6.014 207 2HB GLU 27 HB1 GLU 27 -2.643 4.690 -6.241 208 1HG GLU 27 HG2 GLU 27 -3.042 2.211 -6.032 209 2HG GLU 27 HG1 GLU 27 -4.771 2.546 -5.979 210 H LYS 28 HN LYS 28 -4.090 6.619 -4.047 211 HA LYS 28 HA LYS 28 -1.461 7.831 -3.854 212 1HB LYS 28 HB2 LYS 28 -4.071 9.146 -3.102 213 2HB LYS 28 HB1 LYS 28 -2.612 9.908 -3.726 214 1HG LYS 28 HG2 LYS 28 -2.912 8.661 -5.869 215 2HG LYS 28 HG1 LYS 28 -4.413 7.986 -5.244 216 1HD LYS 28 HD2 LYS 28 -5.208 10.376 -4.879 217 2HD LYS 28 HD1 LYS 28 -3.798 10.902 -5.792 218 1HE LYS 28 HE2 LYS 28 -4.564 9.335 -7.651 219 2HE LYS 28 HE1 LYS 28 -6.066 9.138 -6.757 220 1HZ LYS 28 HZ2 LYS 28 -4.983 11.755 -7.632 221 2HZ LYS 28 HZ1 LYS 28 -6.153 10.869 -8.487 222 3HZ LYS 28 HZ3 LYS 28 -6.501 11.459 -6.932 223 H VAL 29 HN VAL 29 -3.937 6.866 -1.563 224 HA VAL 29 HA VAL 29 -2.926 8.239 0.725 225 HB VAL 29 HB VAL 29 -4.382 5.589 0.571 226 1HG1 VAL 29 HG13 VAL 29 -3.795 7.494 2.855 227 2HG1 VAL 29 HG12 VAL 29 -5.059 6.271 2.934 228 3HG1 VAL 29 HG11 VAL 29 -3.378 5.786 2.751 229 1HG2 VAL 29 HG21 VAL 29 -5.223 8.163 -0.141 230 2HG2 VAL 29 HG23 VAL 29 -6.272 6.797 0.224 231 3HG2 VAL 29 HG22 VAL 29 -5.846 7.944 1.490 232 H PHE 30 HN PHE 30 -2.492 4.787 -0.113 233 HA PHE 30 HA PHE 30 -0.455 4.347 1.839 234 1HB PHE 30 HB2 PHE 30 -1.256 2.915 -0.681 235 2HB PHE 30 HB1 PHE 30 0.197 2.425 0.181 236 HD1 PHE 30 HD1 PHE 30 -0.217 2.301 2.895 237 HD2 PHE 30 HD2 PHE 30 -3.200 1.754 -0.101 238 HE1 PHE 30 HE1 PHE 30 -1.608 1.051 4.494 239 HE2 PHE 30 HE2 PHE 30 -4.562 0.501 1.499 240 HZ PHE 30 HZ PHE 30 -3.765 0.115 3.784 241 H LYS 31 HN LYS 31 -0.290 5.382 -1.538 242 HA LYS 31 HA LYS 31 2.529 5.241 -1.853 243 1HB LYS 31 HB2 LYS 31 0.949 5.721 -3.707 244 2HB LYS 31 HB1 LYS 31 0.651 7.311 -3.012 245 1HG LYS 31 HG2 LYS 31 3.013 7.910 -3.280 246 2HG LYS 31 HG1 LYS 31 3.378 6.294 -3.875 247 1HD LYS 31 HD2 LYS 31 2.788 6.908 -5.964 248 2HD LYS 31 HD1 LYS 31 1.184 7.361 -5.397 249 1HE LYS 31 HE2 LYS 31 2.105 9.568 -4.665 250 2HE LYS 31 HE1 LYS 31 3.666 9.112 -5.338 251 1HZ LYS 31 HZ1 LYS 31 1.711 8.677 -7.285 252 2HZ LYS 31 HZ3 LYS 31 1.473 10.233 -6.651 253 3HZ LYS 31 HZ2 LYS 31 2.982 9.803 -7.301 254 H GLN 32 HN GLN 32 0.473 7.597 -0.297 255 HA GLN 32 HA GLN 32 2.498 9.607 0.090 256 1HB GLN 32 HB2 GLN 32 -0.006 9.935 0.316 257 2HB GLN 32 HB1 GLN 32 0.090 9.084 1.853 258 1HG GLN 32 HG2 GLN 32 0.269 11.393 2.426 259 2HG GLN 32 HG1 GLN 32 1.925 10.796 2.482 260 1HE2 GLN 32 HE22 GLN 32 0.919 12.904 -0.910 261 2HE2 GLN 32 HE21 GLN 32 -0.179 11.773 -0.280 262 OH TYR 33 OH TYR 33 5.155 2.512 7.813 263 H TYR 33 HN TYR 33 1.606 6.683 1.744 264 HA TYR 33 HA TYR 33 3.174 7.248 4.137 265 1HB TYR 33 HB2 TYR 33 1.279 5.743 4.324 266 2HB TYR 33 HB1 TYR 33 1.941 4.696 3.073 267 HD1 TYR 33 HD1 TYR 33 4.050 3.418 3.519 268 HD2 TYR 33 HD2 TYR 33 2.093 5.616 6.591 269 HE1 TYR 33 HE1 TYR 33 5.327 2.189 5.210 270 HE2 TYR 33 HE2 TYR 33 3.374 4.388 8.284 271 HH TYR 33 HH TYR 33 4.755 1.645 7.914 272 H ALA 34 HN ALA 34 3.525 4.963 1.439 273 HA ALA 34 HA ALA 34 6.054 3.926 2.032 274 1HB ALA 34 HB1 ALA 34 4.666 3.173 0.128 275 2HB ALA 34 HB3 ALA 34 5.012 4.681 -0.714 276 3HB ALA 34 HB2 ALA 34 6.310 3.537 -0.385 277 H ASN 35 HN ASN 35 5.204 7.094 0.905 278 HA ASN 35 HA ASN 35 7.827 7.866 -0.023 279 1HB ASN 35 HB2 ASN 35 5.681 9.047 -0.602 280 2HB ASN 35 HB1 ASN 35 5.640 9.667 1.046 281 1HD2 ASN 35 HD22 ASN 35 8.696 11.636 0.494 282 2HD2 ASN 35 HD21 ASN 35 8.093 10.539 1.641 283 H ASP 36 HN ASP 36 6.169 8.002 3.074 284 HA ASP 36 HA ASP 36 8.202 9.584 4.395 285 1HB ASP 36 HB2 ASP 36 6.070 7.746 5.516 286 2HB ASP 36 HB1 ASP 36 7.059 8.836 6.483 287 H ASN 37 HN ASN 37 8.588 6.747 3.002 288 HA ASN 37 HA ASN 37 10.512 5.779 5.078 289 1HB ASN 37 HB2 ASN 37 8.482 4.239 3.494 290 2HB ASN 37 HB1 ASN 37 9.972 3.451 4.004 291 1HD2 ASN 37 HD22 ASN 37 7.295 4.680 6.877 292 2HD2 ASN 37 HD21 ASN 37 7.283 5.430 5.354 293 H GLY 38 HN GLY 38 9.616 5.404 1.663 294 1HA GLY 38 HA2 GLY 38 11.359 6.268 0.019 295 2HA GLY 38 HA1 GLY 38 12.538 5.395 0.990 296 H VAL 39 HN VAL 39 9.352 4.130 0.352 297 HA VAL 39 HA VAL 39 10.607 1.950 -1.266 298 HB VAL 39 HB VAL 39 7.916 1.902 0.118 299 1HG1 VAL 39 HG11 VAL 39 9.768 -0.267 -0.940 300 2HG1 VAL 39 HG13 VAL 39 8.238 -0.552 -0.116 301 3HG1 VAL 39 HG12 VAL 39 8.258 0.244 -1.686 302 1HG2 VAL 39 HG21 VAL 39 10.692 1.206 1.096 303 2HG2 VAL 39 HG23 VAL 39 9.467 2.183 1.898 304 3HG2 VAL 39 HG22 VAL 39 9.263 0.438 1.779 305 H ASP 40 HN ASP 40 10.423 3.750 -2.991 306 HA ASP 40 HA ASP 40 7.689 3.760 -4.202 307 1HB ASP 40 HB2 ASP 40 10.080 5.575 -4.523 308 2HB ASP 40 HB1 ASP 40 8.723 5.612 -5.645 309 H GLY 41 HN GLY 41 7.368 2.346 -5.800 310 1HA GLY 41 HA2 GLY 41 9.239 2.061 -7.992 311 2HA GLY 41 HA1 GLY 41 9.264 0.643 -6.948 312 H GLU 42 HN GLU 42 7.808 -0.902 -7.352 313 HA GLU 42 HA GLU 42 5.660 -0.316 -9.323 314 1HB GLU 42 HB2 GLU 42 6.217 -3.043 -8.237 315 2HB GLU 42 HB1 GLU 42 5.670 -2.583 -9.843 316 1HG GLU 42 HG2 GLU 42 8.034 -1.352 -9.917 317 2HG GLU 42 HG1 GLU 42 8.446 -2.567 -8.708 318 CH2 TRP 43 CH2 TRP 43 2.136 2.665 -2.200 319 H TRP 43 HN TRP 43 3.490 -0.699 -8.876 320 HA TRP 43 HA TRP 43 2.844 -1.229 -5.995 321 1HB TRP 43 HB2 TRP 43 1.767 0.816 -7.913 322 2HB TRP 43 HB1 TRP 43 0.814 0.293 -6.534 323 HD1 TRP 43 HD1 TRP 43 4.350 1.642 -7.314 324 HE1 TRP 43 HE1 TRP 43 5.052 3.009 -5.291 325 HE3 TRP 43 HE3 TRP 43 0.439 0.748 -4.372 326 HZ2 TRP 43 HZ2 TRP 43 4.021 3.591 -2.574 327 HZ3 TRP 43 HZ3 TRP 43 0.274 1.630 -2.099 328 HH2 TRP 43 HH2 TRP 43 2.062 3.047 -1.194 329 H THR 44 HN THR 44 1.254 -2.639 -5.562 330 HA THR 44 HA THR 44 -0.292 -3.765 -7.869 331 HB THR 44 HB THR 44 -0.132 -5.985 -6.476 332 HG1 THR 44 HG1 THR 44 2.257 -5.263 -5.535 333 1HG2 THR 44 HG21 THR 44 2.032 -4.653 -8.074 334 2HG2 THR 44 HG23 THR 44 2.466 -6.100 -7.168 335 3HG2 THR 44 HG22 THR 44 1.202 -6.173 -8.392 336 OH TYR 45 OH TYR 45 -8.840 -1.387 -3.040 337 H TYR 45 HN TYR 45 -2.304 -4.830 -7.237 338 HA TYR 45 HA TYR 45 -3.457 -3.875 -4.646 339 1HB TYR 45 HB2 TYR 45 -4.024 -2.410 -6.713 340 2HB TYR 45 HB1 TYR 45 -5.008 -3.773 -7.247 341 HD1 TYR 45 HD1 TYR 45 -6.484 -4.732 -4.935 342 HD2 TYR 45 HD2 TYR 45 -5.339 -0.737 -5.816 343 HE1 TYR 45 HE1 TYR 45 -8.251 -3.905 -3.477 344 HE2 TYR 45 HE2 TYR 45 -7.156 0.087 -4.408 345 HH TYR 45 HH TYR 45 -9.298 -2.145 -2.671 346 H ASP 46 HN ASP 46 -4.400 -5.511 -3.599 347 HA ASP 46 HA ASP 46 -5.069 -7.990 -5.128 348 1HB ASP 46 HB2 ASP 46 -3.412 -7.955 -3.122 349 2HB ASP 46 HB1 ASP 46 -4.862 -7.820 -2.133 350 H ASP 47 HN ASP 47 -7.080 -6.794 -5.766 351 HA ASP 47 HA ASP 47 -9.073 -6.082 -3.832 352 1HB ASP 47 HB2 ASP 47 -8.975 -5.441 -6.314 353 2HB ASP 47 HB1 ASP 47 -9.664 -7.029 -6.637 354 H ALA 48 HN ALA 48 -7.775 -9.015 -4.239 355 HA ALA 48 HA ALA 48 -10.215 -10.634 -4.290 356 1HB ALA 48 HB1 ALA 48 -7.820 -11.291 -5.093 357 2HB ALA 48 HB3 ALA 48 -7.533 -11.657 -3.395 358 3HB ALA 48 HB2 ALA 48 -8.801 -12.502 -4.276 359 H THR 49 HN THR 49 -7.958 -9.451 -1.852 360 HA THR 49 HA THR 49 -9.900 -10.322 0.244 361 HB THR 49 HB THR 49 -7.806 -10.874 1.683 362 HG1 THR 49 HG1 THR 49 -6.701 -11.092 -0.916 363 1HG2 THR 49 HG22 THR 49 -9.055 -12.431 -0.468 364 2HG2 THR 49 HG21 THR 49 -7.375 -12.893 -0.213 365 3HG2 THR 49 HG23 THR 49 -8.523 -12.976 1.119 366 H LYS 50 HN LYS 50 -8.959 -7.723 -1.118 367 HA LYS 50 HA LYS 50 -8.662 -5.495 -0.440 368 1HB LYS 50 HB2 LYS 50 -9.397 -6.417 2.338 369 2HB LYS 50 HB1 LYS 50 -9.670 -4.839 1.609 370 1HG LYS 50 HG2 LYS 50 -11.163 -5.991 -0.089 371 2HG LYS 50 HG1 LYS 50 -11.025 -7.451 0.883 372 1HD LYS 50 HD2 LYS 50 -11.992 -6.320 2.813 373 2HD LYS 50 HD1 LYS 50 -11.996 -4.784 1.955 374 1HE LYS 50 HE2 LYS 50 -14.224 -6.056 2.008 375 2HE LYS 50 HE1 LYS 50 -13.670 -5.525 0.425 376 1HZ LYS 50 HZ2 LYS 50 -13.212 -8.232 1.544 377 2HZ LYS 50 HZ1 LYS 50 -14.456 -7.834 0.459 378 3HZ LYS 50 HZ3 LYS 50 -12.834 -7.703 -0.026 379 H THR 51 HN THR 51 -6.349 -6.335 -0.784 380 HA THR 51 HA THR 51 -4.780 -5.509 1.604 381 HB THR 51 HB THR 51 -4.417 -8.156 0.121 382 HG1 THR 51 HG1 THR 51 -4.657 -8.761 2.406 383 1HG2 THR 51 HG23 THR 51 -2.310 -6.642 1.183 384 2HG2 THR 51 HG22 THR 51 -2.806 -7.653 2.530 385 3HG2 THR 51 HG21 THR 51 -2.317 -8.387 1.009 386 H PHE 52 HN PHE 52 -3.586 -3.829 0.845 387 HA PHE 52 HA PHE 52 -2.940 -3.617 -1.993 388 1HB PHE 52 HB2 PHE 52 -2.924 -1.879 0.317 389 2HB PHE 52 HB1 PHE 52 -1.422 -1.741 -0.584 390 HD1 PHE 52 HD1 PHE 52 -1.465 -1.070 -2.997 391 HD2 PHE 52 HD2 PHE 52 -5.012 -1.222 -0.683 392 HE1 PHE 52 HE1 PHE 52 -2.662 0.226 -4.719 393 HE2 PHE 52 HE2 PHE 52 -6.161 0.175 -2.311 394 HZ PHE 52 HZ PHE 52 -4.977 0.939 -4.312 395 H THR 53 HN THR 53 -0.632 -3.272 -2.669 396 HA THR 53 HA THR 53 1.436 -4.351 -0.908 397 HB THR 53 HB THR 53 0.523 -5.935 -3.338 398 HG1 THR 53 HG1 THR 53 0.657 -6.318 -0.519 399 1HG2 THR 53 HG22 THR 53 3.079 -5.835 -1.862 400 2HG2 THR 53 HG21 THR 53 2.339 -7.433 -1.863 401 3HG2 THR 53 HG23 THR 53 2.715 -6.636 -3.387 402 H VAL 54 HN VAL 54 3.437 -3.677 -1.514 403 HA VAL 54 HA VAL 54 3.794 -2.613 -4.272 404 HB VAL 54 HB VAL 54 3.152 -0.730 -2.699 405 1HG1 VAL 54 HG11 VAL 54 4.370 -1.782 -0.747 406 2HG1 VAL 54 HG13 VAL 54 5.876 -1.249 -1.484 407 3HG1 VAL 54 HG12 VAL 54 4.677 -0.069 -0.972 408 1HG2 VAL 54 HG22 VAL 54 5.808 -0.832 -4.115 409 2HG2 VAL 54 HG21 VAL 54 4.346 0.022 -4.571 410 3HG2 VAL 54 HG23 VAL 54 5.331 0.618 -3.247 411 H THR 55 HN THR 55 5.941 -2.719 -4.976 412 HA THR 55 HA THR 55 7.917 -3.947 -3.099 413 HB THR 55 HB THR 55 7.286 -5.029 -5.880 414 HG1 THR 55 HG1 THR 55 5.796 -5.881 -4.596 415 1HG2 THR 55 HG22 THR 55 9.496 -5.444 -3.937 416 2HG2 THR 55 HG21 THR 55 8.706 -6.921 -4.481 417 3HG2 THR 55 HG23 THR 55 9.440 -5.832 -5.651 418 H GLU 56 HN GLU 56 9.747 -2.797 -3.162 419 HA GLU 56 HA GLU 56 10.231 -0.701 -5.042 420 1HB GLU 56 HB2 GLU 56 11.361 -1.491 -2.658 421 2HB GLU 56 HB1 GLU 56 12.641 -1.843 -3.807 422 1HG GLU 56 HG2 GLU 56 11.184 0.813 -3.541 423 2HG GLU 56 HG1 GLU 56 12.819 0.480 -2.974 Start of MODEL 6 Raw file had 423 H/Q atoms Entry Start of MODEL 6 1 1H MET 1 HT1 MET 1 -13.788 -0.086 5.970 2 2H MET 1 HT3 MET 1 -14.304 1.431 5.407 3 3H MET 1 HT2 MET 1 -15.203 0.037 5.037 4 HA MET 1 HA MET 1 -13.564 -0.782 3.588 5 1HB MET 1 HB2 MET 1 -13.533 2.193 3.070 6 2HB MET 1 HB1 MET 1 -13.507 0.884 1.894 7 1HG MET 1 HG2 MET 1 -15.790 0.317 3.275 8 2HG MET 1 HG1 MET 1 -15.776 2.058 3.380 9 1HE MET 1 HE2 MET 1 -15.975 -1.055 1.384 10 2HE MET 1 HE1 MET 1 -16.370 -0.591 -0.271 11 3HE MET 1 HE3 MET 1 -14.729 -0.377 0.337 12 H THR 2 HN THR 2 -11.653 -1.471 4.488 13 HA THR 2 HA THR 2 -9.430 0.500 4.394 14 HB THR 2 HB THR 2 -9.867 -1.348 6.777 15 HG1 THR 2 HG1 THR 2 -11.136 0.264 7.309 16 1HG2 THR 2 HG23 THR 2 -7.506 -0.195 5.881 17 2HG2 THR 2 HG22 THR 2 -8.147 1.043 6.957 18 3HG2 THR 2 HG21 THR 2 -7.849 -0.582 7.564 19 OH TYR 3 OH TYR 3 -11.369 0.464 -1.094 20 H TYR 3 HN TYR 3 -7.812 -0.327 3.231 21 HA TYR 3 HA TYR 3 -7.763 -3.267 2.778 22 1HB TYR 3 HB2 TYR 3 -6.014 -1.267 1.356 23 2HB TYR 3 HB1 TYR 3 -6.561 -2.844 0.795 24 HD1 TYR 3 HD1 TYR 3 -7.778 0.577 1.660 25 HD2 TYR 3 HD2 TYR 3 -8.599 -3.044 -0.406 26 HE1 TYR 3 HE1 TYR 3 -9.733 1.618 0.608 27 HE2 TYR 3 HE2 TYR 3 -10.550 -2.005 -1.461 28 HH TYR 3 HH TYR 3 -11.990 -0.232 -1.320 29 H LYS 4 HN LYS 4 -5.414 -4.112 2.469 30 HA LYS 4 HA LYS 4 -3.774 -3.155 4.786 31 1HB LYS 4 HB2 LYS 4 -4.960 -5.422 5.010 32 2HB LYS 4 HB1 LYS 4 -3.888 -5.996 3.758 33 1HG LYS 4 HG2 LYS 4 -2.140 -6.183 5.187 34 2HG LYS 4 HG1 LYS 4 -2.427 -4.597 5.885 35 1HD LYS 4 HD2 LYS 4 -4.185 -5.491 7.317 36 2HD LYS 4 HD1 LYS 4 -4.060 -7.066 6.543 37 1HE LYS 4 HE2 LYS 4 -2.179 -7.628 7.707 38 2HE LYS 4 HE1 LYS 4 -1.508 -6.007 7.591 39 1HZ LYS 4 HZ2 LYS 4 -3.192 -5.336 9.284 40 2HZ LYS 4 HZ1 LYS 4 -3.551 -6.982 9.497 41 3HZ LYS 4 HZ3 LYS 4 -1.994 -6.400 9.847 42 H LEU 5 HN LEU 5 -1.941 -2.252 4.040 43 HA LEU 5 HA LEU 5 -0.928 -2.986 1.392 44 1HB LEU 5 HB2 LEU 5 -0.819 -0.650 1.965 45 2HB LEU 5 HB1 LEU 5 -0.036 -0.993 3.497 46 HG LEU 5 HG LEU 5 1.979 -1.849 2.175 47 1HD1 LEU 5 HD13 LEU 5 0.427 -0.605 -0.117 48 2HD1 LEU 5 HD12 LEU 5 2.099 -1.134 -0.201 49 3HD1 LEU 5 HD11 LEU 5 0.819 -2.313 0.041 50 1HD2 LEU 5 HD22 LEU 5 1.711 0.503 3.111 51 2HD2 LEU 5 HD21 LEU 5 2.845 0.339 1.777 52 3HD2 LEU 5 HD23 LEU 5 1.240 0.994 1.490 53 H ILE 6 HN ILE 6 1.149 -3.826 0.986 54 HA ILE 6 HA ILE 6 2.556 -5.068 3.266 55 HB ILE 6 HB ILE 6 2.059 -6.399 0.597 56 1HG1 ILE 6 HG12 ILE 6 0.930 -7.021 3.350 57 2HG1 ILE 6 HG11 ILE 6 0.028 -6.268 2.039 58 1HG2 ILE 6 HG23 ILE 6 4.026 -6.810 2.645 59 2HG2 ILE 6 HG22 ILE 6 2.919 -8.177 2.666 60 3HG2 ILE 6 HG21 ILE 6 3.766 -7.755 1.183 61 1HD1 ILE 6 HD2 ILE 6 1.287 -8.616 0.991 62 2HD1 ILE 6 HD1 ILE 6 0.480 -9.063 2.492 63 3HD1 ILE 6 HD3 ILE 6 -0.432 -8.309 1.190 64 H LEU 7 HN LEU 7 4.357 -3.847 3.319 65 HA LEU 7 HA LEU 7 5.566 -2.814 0.879 66 1HB LEU 7 HB2 LEU 7 6.410 -2.718 3.770 67 2HB LEU 7 HB1 LEU 7 7.326 -1.962 2.471 68 HG LEU 7 HG LEU 7 4.444 -1.341 2.413 69 1HD1 LEU 7 HD13 LEU 7 6.190 -0.414 4.721 70 2HD1 LEU 7 HD12 LEU 7 4.625 0.281 4.310 71 3HD1 LEU 7 HD11 LEU 7 4.731 -1.393 4.847 72 1HD2 LEU 7 HD21 LEU 7 6.218 -0.266 1.010 73 2HD2 LEU 7 HD23 LEU 7 5.324 0.902 1.978 74 3HD2 LEU 7 HD22 LEU 7 6.936 0.396 2.474 75 H ASN 8 HN ASN 8 6.788 -3.994 -0.413 76 HA ASN 8 HA ASN 8 8.390 -6.214 0.774 77 1HB ASN 8 HB2 ASN 8 6.801 -5.914 -1.642 78 2HB ASN 8 HB1 ASN 8 8.431 -6.422 -2.031 79 1HD2 ASN 8 HD22 ASN 8 5.966 -9.188 -0.865 80 2HD2 ASN 8 HD21 ASN 8 5.588 -7.766 -1.699 81 H GLY 9 HN GLY 9 9.231 -3.552 1.046 82 1HA GLY 9 HA2 GLY 9 10.975 -2.591 -0.952 83 2HA GLY 9 HA1 GLY 9 11.183 -2.269 0.762 84 H LYS 10 HN LYS 10 13.120 -2.909 -1.412 85 HA LYS 10 HA LYS 10 14.149 -5.562 -1.024 86 1HB LYS 10 HB2 LYS 10 15.020 -3.081 -2.343 87 2HB LYS 10 HB1 LYS 10 16.347 -4.062 -1.732 88 1HG LYS 10 HG2 LYS 10 14.092 -5.279 -3.343 89 2HG LYS 10 HG1 LYS 10 15.507 -4.579 -4.122 90 1HD LYS 10 HD2 LYS 10 16.847 -6.314 -3.507 91 2HD LYS 10 HD1 LYS 10 16.160 -6.389 -1.889 92 1HE LYS 10 HE2 LYS 10 14.301 -7.692 -2.629 93 2HE LYS 10 HE1 LYS 10 14.635 -7.344 -4.320 94 1HZ LYS 10 HZ2 LYS 10 16.908 -8.483 -3.664 95 2HZ LYS 10 HZ1 LYS 10 15.908 -9.254 -2.528 96 3HZ LYS 10 HZ3 LYS 10 15.563 -9.378 -4.186 97 H THR 11 HN THR 11 14.965 -2.443 0.431 98 HA THR 11 HA THR 11 16.737 -3.839 2.368 99 HB THR 11 HB THR 11 17.124 -1.246 2.976 100 HG1 THR 11 HG1 THR 11 15.454 -0.611 1.560 101 1HG2 THR 11 HG21 THR 11 18.199 -2.939 0.747 102 2HG2 THR 11 HG23 THR 11 18.580 -1.221 0.710 103 3HG2 THR 11 HG22 THR 11 19.067 -2.201 2.090 104 H LEU 12 HN LEU 12 13.564 -3.177 2.160 105 HA LEU 12 HA LEU 12 13.257 -3.212 5.084 106 1HB LEU 12 HB2 LEU 12 13.534 -0.760 4.347 107 2HB LEU 12 HB1 LEU 12 11.946 -0.932 3.609 108 HG LEU 12 HG LEU 12 11.470 -2.005 6.075 109 1HD1 LEU 12 HD12 LEU 12 13.860 -1.336 6.695 110 2HD1 LEU 12 HD11 LEU 12 13.328 0.337 6.568 111 3HD1 LEU 12 HD13 LEU 12 12.602 -0.728 7.768 112 1HD2 LEU 12 HD21 LEU 12 11.335 0.895 5.188 113 2HD2 LEU 12 HD23 LEU 12 10.067 -0.317 5.037 114 3HD2 LEU 12 HD22 LEU 12 10.531 0.278 6.628 115 H LYS 13 HN LYS 13 11.223 -3.904 5.748 116 HA LYS 13 HA LYS 13 9.150 -4.331 3.664 117 1HB LYS 13 HB2 LYS 13 10.232 -6.530 5.450 118 2HB LYS 13 HB1 LYS 13 8.844 -6.687 4.382 119 1HG LYS 13 HG2 LYS 13 10.535 -5.841 2.540 120 2HG LYS 13 HG1 LYS 13 11.753 -6.407 3.676 121 1HD LYS 13 HD2 LYS 13 9.468 -8.047 2.527 122 2HD LYS 13 HD1 LYS 13 11.174 -8.216 2.123 123 1HE LYS 13 HE2 LYS 13 11.475 -8.545 4.714 124 2HE LYS 13 HE1 LYS 13 9.758 -8.925 4.685 125 1HZ LYS 13 HZ2 LYS 13 10.362 -10.516 2.819 126 2HZ LYS 13 HZ1 LYS 13 11.971 -10.326 3.328 127 3HZ LYS 13 HZ3 LYS 13 10.811 -10.955 4.397 128 H GLY 14 HN GLY 14 7.058 -4.292 4.478 129 1HA GLY 14 HA2 GLY 14 6.514 -4.527 7.325 130 2HA GLY 14 HA1 GLY 14 6.466 -2.854 6.780 131 H GLU 15 HN GLU 15 4.193 -2.989 7.449 132 HA GLU 15 HA GLU 15 2.440 -3.343 5.225 133 1HB GLU 15 HB2 GLU 15 1.075 -5.236 6.312 134 2HB GLU 15 HB1 GLU 15 2.575 -5.695 5.516 135 1HG GLU 15 HG2 GLU 15 3.550 -6.329 7.471 136 2HG GLU 15 HG1 GLU 15 2.935 -4.922 8.333 137 H THR 16 HN THR 16 0.713 -2.060 5.574 138 HA THR 16 HA THR 16 -0.282 -1.683 8.340 139 HB THR 16 HB THR 16 1.414 0.120 8.098 140 HG1 THR 16 HG1 THR 16 -0.733 0.400 9.070 141 1HG2 THR 16 HG23 THR 16 0.510 0.204 5.421 142 2HG2 THR 16 HG22 THR 16 -0.106 1.676 6.160 143 3HG2 THR 16 HG21 THR 16 1.621 1.339 6.177 144 H THR 17 HN THR 17 -2.394 -0.779 8.432 145 HA THR 17 HA THR 17 -3.884 -1.074 5.861 146 HB THR 17 HB THR 17 -5.751 -1.824 7.135 147 HG1 THR 17 HG1 THR 17 -4.359 -0.352 9.116 148 1HG2 THR 17 HG22 THR 17 -3.494 -3.222 7.504 149 2HG2 THR 17 HG21 THR 17 -3.649 -2.596 9.141 150 3HG2 THR 17 HG23 THR 17 -4.933 -3.586 8.453 151 H THR 18 HN THR 18 -5.024 0.589 5.040 152 HA THR 18 HA THR 18 -5.300 3.058 6.721 153 HB THR 18 HB THR 18 -3.519 3.099 4.780 154 HG1 THR 18 HG1 THR 18 -4.848 4.799 6.035 155 1HG2 THR 18 HG23 THR 18 -5.491 2.237 3.172 156 2HG2 THR 18 HG22 THR 18 -5.913 3.946 3.173 157 3HG2 THR 18 HG21 THR 18 -4.329 3.430 2.603 158 H GLU 19 HN GLU 19 -7.158 4.313 6.367 159 HA GLU 19 HA GLU 19 -9.404 2.775 5.188 160 1HB GLU 19 HB2 GLU 19 -9.767 3.615 7.435 161 2HB GLU 19 HB1 GLU 19 -9.340 5.247 6.933 162 1HG GLU 19 HG2 GLU 19 -11.353 5.589 5.856 163 2HG GLU 19 HG1 GLU 19 -11.511 3.896 5.395 164 H ALA 20 HN ALA 20 -10.242 3.279 3.268 165 HA ALA 20 HA ALA 20 -9.956 6.059 2.243 166 1HB ALA 20 HB1 ALA 20 -8.690 3.635 1.163 167 2HB ALA 20 HB3 ALA 20 -9.571 4.577 -0.035 168 3HB ALA 20 HB2 ALA 20 -8.281 5.325 0.901 169 H VAL 21 HN VAL 21 -11.412 6.492 0.403 170 HA VAL 21 HA VAL 21 -13.960 5.035 0.792 171 HB VAL 21 HB VAL 21 -13.809 7.570 0.831 172 1HG1 VAL 21 HG12 VAL 21 -12.233 7.577 -1.195 173 2HG1 VAL 21 HG11 VAL 21 -13.661 7.282 -2.179 174 3HG1 VAL 21 HG13 VAL 21 -13.536 8.756 -1.224 175 1HG2 VAL 21 HG22 VAL 21 -15.698 5.845 -0.617 176 2HG2 VAL 21 HG21 VAL 21 -16.020 7.121 0.552 177 3HG2 VAL 21 HG23 VAL 21 -15.753 7.524 -1.141 178 H ASP 22 HN ASP 22 -11.459 5.478 -1.585 179 HA ASP 22 HA ASP 22 -12.850 3.493 -3.314 180 1HB ASP 22 HB2 ASP 22 -12.265 4.790 -5.342 181 2HB ASP 22 HB1 ASP 22 -13.355 5.690 -4.291 182 H ALA 23 HN ALA 23 -11.144 3.109 -5.292 183 HA ALA 23 HA ALA 23 -8.803 1.989 -3.909 184 1HB ALA 23 HB1 ALA 23 -10.230 1.517 -6.417 185 2HB ALA 23 HB3 ALA 23 -8.480 1.451 -6.602 186 3HB ALA 23 HB2 ALA 23 -9.283 0.400 -5.440 187 H ALA 24 HN ALA 24 -9.339 4.168 -6.678 188 HA ALA 24 HA ALA 24 -6.706 4.780 -7.329 189 1HB ALA 24 HB3 ALA 24 -9.078 6.657 -7.176 190 2HB ALA 24 HB2 ALA 24 -7.554 7.064 -7.958 191 3HB ALA 24 HB1 ALA 24 -8.541 5.747 -8.585 192 H THR 25 HN THR 25 -8.653 6.360 -4.811 193 HA THR 25 HA THR 25 -6.503 8.023 -3.893 194 HB THR 25 HB THR 25 -8.909 8.447 -3.284 195 HG1 THR 25 HG1 THR 25 -8.086 9.346 -1.535 196 1HG2 THR 25 HG21 THR 25 -9.316 5.932 -2.727 197 2HG2 THR 25 HG23 THR 25 -8.480 6.279 -1.220 198 3HG2 THR 25 HG22 THR 25 -9.977 7.117 -1.607 199 H ALA 26 HN ALA 26 -7.681 4.824 -2.872 200 HA ALA 26 HA ALA 26 -6.023 4.414 -0.646 201 1HB ALA 26 HB3 ALA 26 -7.735 2.784 -1.496 202 2HB ALA 26 HB2 ALA 26 -6.612 2.337 -2.774 203 3HB ALA 26 HB1 ALA 26 -6.197 2.028 -1.092 204 H GLU 27 HN GLU 27 -5.249 4.144 -4.091 205 HA GLU 27 HA GLU 27 -2.594 3.133 -3.768 206 1HB GLU 27 HB2 GLU 27 -3.692 4.953 -5.932 207 2HB GLU 27 HB1 GLU 27 -2.216 4.010 -6.039 208 1HG GLU 27 HG2 GLU 27 -3.469 1.930 -5.854 209 2HG GLU 27 HG1 GLU 27 -4.964 2.820 -5.585 210 H LYS 28 HN LYS 28 -3.988 6.324 -3.629 211 HA LYS 28 HA LYS 28 -1.429 7.721 -3.534 212 1HB LYS 28 HB2 LYS 28 -3.693 8.643 -4.325 213 2HB LYS 28 HB1 LYS 28 -4.097 8.788 -2.620 214 1HG LYS 28 HG2 LYS 28 -2.023 10.162 -2.294 215 2HG LYS 28 HG1 LYS 28 -1.738 10.090 -4.028 216 1HD LYS 28 HD2 LYS 28 -4.423 11.034 -3.044 217 2HD LYS 28 HD1 LYS 28 -3.058 12.139 -2.974 218 1HE LYS 28 HE2 LYS 28 -3.455 10.634 -5.522 219 2HE LYS 28 HE1 LYS 28 -4.598 11.921 -5.164 220 1HZ LYS 28 HZ2 LYS 28 -2.537 13.312 -4.697 221 2HZ LYS 28 HZ1 LYS 28 -1.677 12.101 -5.521 222 3HZ LYS 28 HZ3 LYS 28 -2.905 12.963 -6.317 223 H VAL 29 HN VAL 29 -4.028 7.265 -1.145 224 HA VAL 29 HA VAL 29 -2.850 8.336 1.112 225 HB VAL 29 HB VAL 29 -4.493 5.804 0.884 226 1HG1 VAL 29 HG12 VAL 29 -3.482 7.367 3.255 227 2HG1 VAL 29 HG11 VAL 29 -5.022 6.516 3.351 228 3HG1 VAL 29 HG13 VAL 29 -3.540 5.621 3.029 229 1HG2 VAL 29 HG21 VAL 29 -5.490 7.979 0.079 230 2HG2 VAL 29 HG23 VAL 29 -6.353 7.266 1.440 231 3HG2 VAL 29 HG22 VAL 29 -5.262 8.624 1.702 232 H PHE 30 HN PHE 30 -2.402 5.023 -0.093 233 HA PHE 30 HA PHE 30 -0.492 4.330 1.957 234 1HB PHE 30 HB2 PHE 30 -1.380 3.099 -0.626 235 2HB PHE 30 HB1 PHE 30 0.097 2.506 0.123 236 HD1 PHE 30 HD1 PHE 30 -0.205 2.230 2.853 237 HD2 PHE 30 HD2 PHE 30 -3.320 1.928 -0.044 238 HE1 PHE 30 HE1 PHE 30 -1.558 0.920 4.433 239 HE2 PHE 30 HE2 PHE 30 -4.644 0.602 1.536 240 HZ PHE 30 HZ PHE 30 -3.765 0.078 3.765 241 H LYS 31 HN LYS 31 -0.094 5.198 -1.482 242 HA LYS 31 HA LYS 31 2.706 5.100 -1.614 243 1HB LYS 31 HB2 LYS 31 1.164 5.624 -3.527 244 2HB LYS 31 HB1 LYS 31 0.990 7.253 -2.880 245 1HG LYS 31 HG2 LYS 31 3.547 7.420 -2.984 246 2HG LYS 31 HG1 LYS 31 3.514 5.927 -3.916 247 1HD LYS 31 HD2 LYS 31 2.094 8.515 -4.636 248 2HD LYS 31 HD1 LYS 31 3.527 7.867 -5.430 249 1HE LYS 31 HE2 LYS 31 1.859 7.069 -6.847 250 2HE LYS 31 HE1 LYS 31 2.003 5.719 -5.727 251 1HZ LYS 31 HZ3 LYS 31 0.224 7.475 -4.569 252 2HZ LYS 31 HZ2 LYS 31 -0.212 7.409 -6.210 253 3HZ LYS 31 HZ1 LYS 31 -0.131 5.981 -5.294 254 H GLN 32 HN GLN 32 0.629 7.567 -0.226 255 HA GLN 32 HA GLN 32 2.661 9.521 0.267 256 1HB GLN 32 HB2 GLN 32 0.137 9.838 0.456 257 2HB GLN 32 HB1 GLN 32 0.239 9.018 2.011 258 1HG GLN 32 HG2 GLN 32 2.242 10.831 2.308 259 2HG GLN 32 HG1 GLN 32 1.174 11.734 1.239 260 1HE2 GLN 32 HE22 GLN 32 -1.590 11.360 3.716 261 2HE2 GLN 32 HE21 GLN 32 -1.354 10.914 2.096 262 OH TYR 33 OH TYR 33 4.847 2.651 8.343 263 H TYR 33 HN TYR 33 1.564 6.689 2.016 264 HA TYR 33 HA TYR 33 3.150 7.193 4.387 265 1HB TYR 33 HB2 TYR 33 1.199 5.713 4.477 266 2HB TYR 33 HB1 TYR 33 1.953 4.625 3.315 267 HD1 TYR 33 HD1 TYR 33 3.979 3.334 3.953 268 HD2 TYR 33 HD2 TYR 33 1.912 5.731 6.793 269 HE1 TYR 33 HE1 TYR 33 5.147 2.184 5.772 270 HE2 TYR 33 HE2 TYR 33 3.081 4.580 8.616 271 HH TYR 33 HH TYR 33 5.582 3.202 8.622 272 H ALA 34 HN ALA 34 3.496 4.786 1.797 273 HA ALA 34 HA ALA 34 6.023 3.790 2.427 274 1HB ALA 34 HB3 ALA 34 4.310 3.777 0.152 275 2HB ALA 34 HB2 ALA 34 5.931 4.174 -0.410 276 3HB ALA 34 HB1 ALA 34 5.652 2.692 0.499 277 H ASN 35 HN ASN 35 5.190 6.865 0.996 278 HA ASN 35 HA ASN 35 7.771 7.609 0.034 279 1HB ASN 35 HB2 ASN 35 5.607 8.814 -0.436 280 2HB ASN 35 HB1 ASN 35 5.689 9.475 1.195 281 1HD2 ASN 35 HD22 ASN 35 8.760 10.573 -1.319 282 2HD2 ASN 35 HD21 ASN 35 8.219 8.965 -1.325 283 H ASP 36 HN ASP 36 6.310 7.794 3.227 284 HA ASP 36 HA ASP 36 8.373 9.416 4.419 285 1HB ASP 36 HB2 ASP 36 6.199 7.637 5.463 286 2HB ASP 36 HB1 ASP 36 7.450 8.196 6.569 287 H ASN 37 HN ASN 37 8.791 6.605 2.956 288 HA ASN 37 HA ASN 37 10.957 5.756 4.836 289 1HB ASN 37 HB2 ASN 37 9.098 3.951 3.270 290 2HB ASN 37 HB1 ASN 37 10.492 3.400 4.197 291 1HD2 ASN 37 HD22 ASN 37 7.105 4.619 6.152 292 2HD2 ASN 37 HD21 ASN 37 7.304 4.968 4.503 293 H GLY 38 HN GLY 38 9.721 5.502 1.527 294 1HA GLY 38 HA2 GLY 38 11.337 6.405 -0.229 295 2HA GLY 38 HA1 GLY 38 12.558 5.415 0.561 296 H VAL 39 HN VAL 39 9.424 4.067 0.466 297 HA VAL 39 HA VAL 39 10.371 2.060 -1.495 298 HB VAL 39 HB VAL 39 7.907 2.100 0.266 299 1HG1 VAL 39 HG12 VAL 39 8.998 0.173 -1.768 300 2HG1 VAL 39 HG11 VAL 39 8.133 -0.454 -0.368 301 3HG1 VAL 39 HG13 VAL 39 7.328 0.651 -1.479 302 1HG2 VAL 39 HG22 VAL 39 10.148 1.934 1.426 303 2HG2 VAL 39 HG21 VAL 39 9.127 0.516 1.646 304 3HG2 VAL 39 HG23 VAL 39 10.459 0.471 0.496 305 H ASP 40 HN ASP 40 10.089 2.879 -3.525 306 HA ASP 40 HA ASP 40 7.290 3.286 -4.391 307 1HB ASP 40 HB2 ASP 40 9.453 5.385 -4.590 308 2HB ASP 40 HB1 ASP 40 8.046 5.391 -5.651 309 H GLY 41 HN GLY 41 6.993 2.197 -6.227 310 1HA GLY 41 HA2 GLY 41 8.668 2.324 -8.514 311 2HA GLY 41 HA1 GLY 41 9.114 0.877 -7.615 312 H GLU 42 HN GLU 42 7.620 -0.816 -7.423 313 HA GLU 42 HA GLU 42 5.452 -0.741 -9.471 314 1HB GLU 42 HB2 GLU 42 6.488 -3.170 -8.030 315 2HB GLU 42 HB1 GLU 42 5.612 -3.111 -9.554 316 1HG GLU 42 HG2 GLU 42 7.584 -1.753 -10.472 317 2HG GLU 42 HG1 GLU 42 8.457 -2.214 -9.013 318 CH2 TRP 43 CH2 TRP 43 2.127 2.527 -2.167 319 H TRP 43 HN TRP 43 3.374 -0.794 -8.864 320 HA TRP 43 HA TRP 43 2.773 -1.367 -5.982 321 1HB TRP 43 HB2 TRP 43 1.719 0.703 -7.881 322 2HB TRP 43 HB1 TRP 43 0.759 0.193 -6.504 323 HD1 TRP 43 HD1 TRP 43 4.331 1.453 -7.274 324 HE1 TRP 43 HE1 TRP 43 5.058 2.809 -5.252 325 HE3 TRP 43 HE3 TRP 43 0.388 0.666 -4.349 326 HZ2 TRP 43 HZ2 TRP 43 4.034 3.409 -2.534 327 HZ3 TRP 43 HZ3 TRP 43 0.240 1.538 -2.074 328 HH2 TRP 43 HH2 TRP 43 2.061 2.905 -1.158 329 H THR 44 HN THR 44 1.266 -2.847 -5.547 330 HA THR 44 HA THR 44 -0.335 -3.934 -7.835 331 HB THR 44 HB THR 44 -0.240 -6.123 -6.390 332 HG1 THR 44 HG1 THR 44 1.880 -4.487 -5.416 333 1HG2 THR 44 HG22 THR 44 1.156 -5.620 -8.526 334 2HG2 THR 44 HG21 THR 44 2.440 -5.146 -7.418 335 3HG2 THR 44 HG23 THR 44 1.830 -6.798 -7.403 336 OH TYR 45 OH TYR 45 -8.868 -1.328 -3.170 337 H TYR 45 HN TYR 45 -2.335 -5.049 -7.140 338 HA TYR 45 HA TYR 45 -3.520 -3.977 -4.623 339 1HB TYR 45 HB2 TYR 45 -4.016 -2.544 -6.729 340 2HB TYR 45 HB1 TYR 45 -5.022 -3.896 -7.251 341 HD1 TYR 45 HD1 TYR 45 -6.557 -4.770 -4.948 342 HD2 TYR 45 HD2 TYR 45 -5.297 -0.822 -5.885 343 HE1 TYR 45 HE1 TYR 45 -8.337 -3.870 -3.547 344 HE2 TYR 45 HE2 TYR 45 -7.114 0.079 -4.519 345 HH TYR 45 HH TYR 45 -9.326 -0.661 -3.687 346 H ASP 46 HN ASP 46 -4.529 -5.578 -3.560 347 HA ASP 46 HA ASP 46 -5.241 -8.057 -5.078 348 1HB ASP 46 HB2 ASP 46 -3.542 -8.054 -3.105 349 2HB ASP 46 HB1 ASP 46 -4.972 -7.914 -2.087 350 H ASP 47 HN ASP 47 -7.256 -6.874 -5.685 351 HA ASP 47 HA ASP 47 -9.200 -6.111 -3.718 352 1HB ASP 47 HB2 ASP 47 -9.148 -5.553 -6.237 353 2HB ASP 47 HB1 ASP 47 -9.895 -7.132 -6.470 354 H ALA 48 HN ALA 48 -7.949 -9.089 -4.314 355 HA ALA 48 HA ALA 48 -10.353 -10.713 -4.193 356 1HB ALA 48 HB1 ALA 48 -7.714 -11.203 -4.791 357 2HB ALA 48 HB3 ALA 48 -7.873 -11.938 -3.199 358 3HB ALA 48 HB2 ALA 48 -8.927 -12.448 -4.512 359 H THR 49 HN THR 49 -8.241 -9.230 -1.858 360 HA THR 49 HA THR 49 -10.087 -10.099 0.294 361 HB THR 49 HB THR 49 -7.997 -10.653 1.731 362 HG1 THR 49 HG1 THR 49 -6.612 -9.627 0.168 363 1HG2 THR 49 HG22 THR 49 -9.515 -12.386 0.462 364 2HG2 THR 49 HG21 THR 49 -8.194 -12.437 -0.703 365 3HG2 THR 49 HG23 THR 49 -7.911 -12.908 0.971 366 H LYS 50 HN LYS 50 -9.183 -7.595 -1.178 367 HA LYS 50 HA LYS 50 -8.740 -5.358 -0.647 368 1HB LYS 50 HB2 LYS 50 -9.823 -6.297 2.020 369 2HB LYS 50 HB1 LYS 50 -9.597 -4.614 1.570 370 1HG LYS 50 HG2 LYS 50 -11.537 -4.600 0.411 371 2HG LYS 50 HG1 LYS 50 -11.028 -5.992 -0.533 372 1HD LYS 50 HD2 LYS 50 -13.046 -6.627 0.626 373 2HD LYS 50 HD1 LYS 50 -11.722 -7.458 1.428 374 1HE LYS 50 HE2 LYS 50 -11.715 -5.212 2.901 375 2HE LYS 50 HE1 LYS 50 -13.396 -5.172 2.391 376 1HZ LYS 50 HZ3 LYS 50 -13.062 -7.743 3.120 377 2HZ LYS 50 HZ2 LYS 50 -12.083 -6.928 4.244 378 3HZ LYS 50 HZ1 LYS 50 -13.727 -6.527 4.102 379 H THR 51 HN THR 51 -6.464 -6.478 -0.811 380 HA THR 51 HA THR 51 -4.932 -5.554 1.582 381 HB THR 51 HB THR 51 -4.759 -8.256 0.212 382 HG1 THR 51 HG1 THR 51 -4.426 -7.757 2.916 383 1HG2 THR 51 HG21 THR 51 -2.693 -6.915 1.992 384 2HG2 THR 51 HG23 THR 51 -2.709 -8.623 1.594 385 3HG2 THR 51 HG22 THR 51 -2.423 -7.428 0.335 386 H PHE 52 HN PHE 52 -3.671 -3.910 0.837 387 HA PHE 52 HA PHE 52 -2.961 -3.732 -1.989 388 1HB PHE 52 HB2 PHE 52 -2.973 -1.979 0.309 389 2HB PHE 52 HB1 PHE 52 -1.457 -1.863 -0.572 390 HD1 PHE 52 HD1 PHE 52 -1.440 -1.198 -2.969 391 HD2 PHE 52 HD2 PHE 52 -5.040 -1.311 -0.736 392 HE1 PHE 52 HE1 PHE 52 -2.591 0.077 -4.731 393 HE2 PHE 52 HE2 PHE 52 -6.139 0.085 -2.397 394 HZ PHE 52 HZ PHE 52 -4.904 0.828 -4.375 395 H THR 53 HN THR 53 -0.663 -3.419 -2.641 396 HA THR 53 HA THR 53 1.404 -4.444 -0.848 397 HB THR 53 HB THR 53 0.488 -6.094 -3.232 398 HG1 THR 53 HG1 THR 53 1.003 -7.107 -0.717 399 1HG2 THR 53 HG23 THR 53 3.002 -6.142 -1.539 400 2HG2 THR 53 HG22 THR 53 2.358 -7.628 -2.233 401 3HG2 THR 53 HG21 THR 53 2.872 -6.315 -3.287 402 H VAL 54 HN VAL 54 3.405 -3.772 -1.474 403 HA VAL 54 HA VAL 54 3.741 -2.732 -4.242 404 HB VAL 54 HB VAL 54 3.052 -0.839 -2.719 405 1HG1 VAL 54 HG13 VAL 54 4.253 -1.854 -0.732 406 2HG1 VAL 54 HG12 VAL 54 5.759 -1.284 -1.441 407 3HG1 VAL 54 HG11 VAL 54 4.516 -0.132 -0.962 408 1HG2 VAL 54 HG23 VAL 54 5.830 -0.833 -3.930 409 2HG2 VAL 54 HG22 VAL 54 4.344 -0.246 -4.654 410 3HG2 VAL 54 HG21 VAL 54 5.062 0.614 -3.303 411 H THR 55 HN THR 55 5.924 -2.687 -4.916 412 HA THR 55 HA THR 55 7.928 -3.835 -3.033 413 HB THR 55 HB THR 55 7.336 -5.036 -5.773 414 HG1 THR 55 HG1 THR 55 6.084 -6.294 -4.615 415 1HG2 THR 55 HG21 THR 55 9.524 -5.335 -3.781 416 2HG2 THR 55 HG23 THR 55 8.776 -6.845 -4.295 417 3HG2 THR 55 HG22 THR 55 9.506 -5.774 -5.483 418 H GLU 56 HN GLU 56 9.676 -2.547 -3.139 419 HA GLU 56 HA GLU 56 10.073 -0.605 -5.218 420 1HB GLU 56 HB2 GLU 56 11.172 -1.092 -2.708 421 2HB GLU 56 HB1 GLU 56 12.519 -1.335 -3.809 422 1HG GLU 56 HG2 GLU 56 11.901 0.867 -4.904 423 2HG GLU 56 HG1 GLU 56 10.742 1.116 -3.603 Start of MODEL 7 Raw file had 423 H/Q atoms Entry Start of MODEL 7 1 1H MET 1 HT1 MET 1 -12.993 1.528 1.858 2 2H MET 1 HT3 MET 1 -13.392 -0.025 1.299 3 3H MET 1 HT2 MET 1 -14.572 0.937 2.052 4 HA MET 1 HA MET 1 -13.719 0.629 4.144 5 1HB MET 1 HB2 MET 1 -13.121 -1.890 2.574 6 2HB MET 1 HB1 MET 1 -13.135 -1.814 4.332 7 1HG MET 1 HG2 MET 1 -15.434 -1.176 2.476 8 2HG MET 1 HG1 MET 1 -15.294 -2.589 3.485 9 1HE MET 1 HE2 MET 1 -15.993 1.118 3.162 10 2HE MET 1 HE1 MET 1 -17.417 0.094 2.973 11 3HE MET 1 HE3 MET 1 -17.329 1.247 4.304 12 H THR 2 HN THR 2 -11.748 -0.917 5.177 13 HA THR 2 HA THR 2 -9.337 0.666 4.473 14 HB THR 2 HB THR 2 -9.821 -1.160 6.864 15 HG1 THR 2 HG1 THR 2 -11.173 0.676 6.753 16 1HG2 THR 2 HG23 THR 2 -7.412 -0.095 5.903 17 2HG2 THR 2 HG22 THR 2 -7.956 1.085 7.088 18 3HG2 THR 2 HG21 THR 2 -7.720 -0.591 7.563 19 OH TYR 3 OH TYR 3 -11.426 0.444 -1.069 20 H TYR 3 HN TYR 3 -7.763 -0.196 3.275 21 HA TYR 3 HA TYR 3 -7.776 -3.143 2.841 22 1HB TYR 3 HB2 TYR 3 -6.034 -1.158 1.385 23 2HB TYR 3 HB1 TYR 3 -6.555 -2.753 0.850 24 HD1 TYR 3 HD1 TYR 3 -7.754 0.696 1.568 25 HD2 TYR 3 HD2 TYR 3 -8.668 -3.041 -0.235 26 HE1 TYR 3 HE1 TYR 3 -9.730 1.686 0.504 27 HE2 TYR 3 HE2 TYR 3 -10.638 -2.052 -1.300 28 HH TYR 3 HH TYR 3 -11.824 -0.223 -1.635 29 H LYS 4 HN LYS 4 -5.391 -3.977 2.455 30 HA LYS 4 HA LYS 4 -3.738 -3.035 4.771 31 1HB LYS 4 HB2 LYS 4 -4.888 -5.243 5.123 32 2HB LYS 4 HB1 LYS 4 -3.994 -5.872 3.760 33 1HG LYS 4 HG2 LYS 4 -2.044 -6.041 4.931 34 2HG LYS 4 HG1 LYS 4 -2.286 -4.510 5.753 35 1HD LYS 4 HD2 LYS 4 -2.375 -6.262 7.420 36 2HD LYS 4 HD1 LYS 4 -4.010 -5.651 7.215 37 1HE LYS 4 HE2 LYS 4 -3.862 -7.644 5.291 38 2HE LYS 4 HE1 LYS 4 -2.913 -8.314 6.610 39 1HZ LYS 4 HZ3 LYS 4 -5.577 -7.124 7.063 40 2HZ LYS 4 HZ2 LYS 4 -5.386 -8.753 6.623 41 3HZ LYS 4 HZ1 LYS 4 -4.703 -8.179 8.067 42 H LEU 5 HN LEU 5 -1.929 -2.132 4.003 43 HA LEU 5 HA LEU 5 -0.913 -2.843 1.364 44 1HB LEU 5 HB2 LEU 5 -0.756 -0.524 2.026 45 2HB LEU 5 HB1 LEU 5 0.048 -0.942 3.531 46 HG LEU 5 HG LEU 5 2.017 -1.792 2.156 47 1HD1 LEU 5 HD12 LEU 5 0.434 -0.495 -0.086 48 2HD1 LEU 5 HD11 LEU 5 2.113 -1.000 -0.211 49 3HD1 LEU 5 HD13 LEU 5 0.853 -2.200 0.025 50 1HD2 LEU 5 HD22 LEU 5 1.827 0.532 3.149 51 2HD2 LEU 5 HD21 LEU 5 2.907 0.400 1.764 52 3HD2 LEU 5 HD23 LEU 5 1.296 1.081 1.563 53 H ILE 6 HN ILE 6 1.143 -3.726 0.942 54 HA ILE 6 HA ILE 6 2.499 -5.072 3.191 55 HB ILE 6 HB ILE 6 1.630 -6.249 0.562 56 1HG1 ILE 6 HG12 ILE 6 1.534 -7.251 3.433 57 2HG1 ILE 6 HG11 ILE 6 0.200 -6.446 2.624 58 1HG2 ILE 6 HG21 ILE 6 3.940 -7.061 2.348 59 2HG2 ILE 6 HG23 ILE 6 3.134 -8.229 1.310 60 3HG2 ILE 6 HG22 ILE 6 3.946 -6.845 0.601 61 1HD1 ILE 6 HD1 ILE 6 0.721 -8.376 0.793 62 2HD1 ILE 6 HD3 ILE 6 1.242 -9.210 2.253 63 3HD1 ILE 6 HD2 ILE 6 -0.403 -8.607 2.125 64 H LEU 7 HN LEU 7 4.275 -3.815 3.311 65 HA LEU 7 HA LEU 7 5.567 -2.757 0.921 66 1HB LEU 7 HB2 LEU 7 6.250 -2.676 3.853 67 2HB LEU 7 HB1 LEU 7 7.286 -1.964 2.623 68 HG LEU 7 HG LEU 7 4.397 -1.272 2.466 69 1HD1 LEU 7 HD12 LEU 7 6.237 -0.366 4.697 70 2HD1 LEU 7 HD11 LEU 7 4.825 0.560 4.203 71 3HD1 LEU 7 HD13 LEU 7 4.630 -1.067 4.847 72 1HD2 LEU 7 HD21 LEU 7 6.157 -0.376 0.930 73 2HD2 LEU 7 HD23 LEU 7 5.345 0.899 1.831 74 3HD2 LEU 7 HD22 LEU 7 6.951 0.365 2.315 75 H ASN 8 HN ASN 8 6.751 -4.019 -0.352 76 HA ASN 8 HA ASN 8 8.396 -6.166 0.909 77 1HB ASN 8 HB2 ASN 8 6.844 -5.943 -1.543 78 2HB ASN 8 HB1 ASN 8 8.486 -6.448 -1.882 79 1HD2 ASN 8 HD22 ASN 8 6.025 -9.208 -0.721 80 2HD2 ASN 8 HD21 ASN 8 5.663 -7.815 -1.609 81 H GLY 9 HN GLY 9 9.191 -3.479 1.125 82 1HA GLY 9 HA2 GLY 9 10.950 -2.546 -0.884 83 2HA GLY 9 HA1 GLY 9 11.108 -2.150 0.821 84 H LYS 10 HN LYS 10 13.119 -2.823 -1.275 85 HA LYS 10 HA LYS 10 14.214 -5.417 -0.836 86 1HB LYS 10 HB2 LYS 10 14.915 -3.929 -2.684 87 2HB LYS 10 HB1 LYS 10 15.672 -2.850 -1.518 88 1HG LYS 10 HG2 LYS 10 17.234 -4.575 -0.836 89 2HG LYS 10 HG1 LYS 10 16.392 -5.784 -1.798 90 1HD LYS 10 HD2 LYS 10 17.233 -3.387 -3.312 91 2HD LYS 10 HD1 LYS 10 18.562 -4.351 -2.677 92 1HE LYS 10 HE2 LYS 10 16.238 -5.538 -4.224 93 2HE LYS 10 HE1 LYS 10 17.750 -5.050 -4.980 94 1HZ LYS 10 HZ1 LYS 10 17.747 -6.885 -2.675 95 2HZ LYS 10 HZ3 LYS 10 17.471 -7.466 -4.247 96 3HZ LYS 10 HZ2 LYS 10 18.929 -6.679 -3.876 97 H THR 11 HN THR 11 15.282 -2.313 0.545 98 HA THR 11 HA THR 11 16.736 -3.765 2.648 99 HB THR 11 HB THR 11 17.726 -1.607 3.156 100 HG1 THR 11 HG1 THR 11 16.488 0.093 2.897 101 1HG2 THR 11 HG22 THR 11 17.996 -2.668 0.661 102 2HG2 THR 11 HG21 THR 11 17.255 -1.124 0.257 103 3HG2 THR 11 HG23 THR 11 18.779 -1.164 1.138 104 H LEU 12 HN LEU 12 13.603 -3.001 2.268 105 HA LEU 12 HA LEU 12 13.178 -2.919 5.190 106 1HB LEU 12 HB2 LEU 12 13.413 -0.517 4.346 107 2HB LEU 12 HB1 LEU 12 11.898 -0.779 3.489 108 HG LEU 12 HG LEU 12 11.261 -1.730 5.979 109 1HD1 LEU 12 HD13 LEU 12 13.477 -0.985 6.851 110 2HD1 LEU 12 HD12 LEU 12 13.089 0.664 6.371 111 3HD1 LEU 12 HD11 LEU 12 12.143 -0.133 7.625 112 1HD2 LEU 12 HD22 LEU 12 11.077 1.123 4.953 113 2HD2 LEU 12 HD21 LEU 12 9.913 -0.164 4.655 114 3HD2 LEU 12 HD23 LEU 12 10.122 0.475 6.282 115 H LYS 13 HN LYS 13 11.214 -3.737 5.815 116 HA LYS 13 HA LYS 13 9.185 -4.290 3.722 117 1HB LYS 13 HB2 LYS 13 10.260 -6.425 5.584 118 2HB LYS 13 HB1 LYS 13 8.989 -6.635 4.389 119 1HG LYS 13 HG2 LYS 13 10.635 -5.981 2.602 120 2HG LYS 13 HG1 LYS 13 11.887 -5.919 3.832 121 1HD LYS 13 HD2 LYS 13 11.971 -8.101 2.736 122 2HD LYS 13 HD1 LYS 13 11.424 -8.311 4.393 123 1HE LYS 13 HE2 LYS 13 9.299 -8.924 3.758 124 2HE LYS 13 HE1 LYS 13 9.292 -7.856 2.363 125 1HZ LYS 13 HZ3 LYS 13 10.829 -9.405 1.265 126 2HZ LYS 13 HZ2 LYS 13 10.689 -10.459 2.589 127 3HZ LYS 13 HZ1 LYS 13 9.329 -10.112 1.634 128 H GLY 14 HN GLY 14 7.117 -4.140 4.483 129 1HA GLY 14 HA2 GLY 14 6.550 -4.399 7.347 130 2HA GLY 14 HA1 GLY 14 6.414 -2.752 6.740 131 H GLU 15 HN GLU 15 4.149 -3.128 7.499 132 HA GLU 15 HA GLU 15 2.405 -3.525 5.277 133 1HB GLU 15 HB2 GLU 15 1.213 -5.568 6.395 134 2HB GLU 15 HB1 GLU 15 2.636 -5.853 5.400 135 1HG GLU 15 HG2 GLU 15 4.023 -6.218 7.260 136 2HG GLU 15 HG1 GLU 15 2.961 -5.330 8.348 137 H THR 16 HN THR 16 0.714 -2.246 5.710 138 HA THR 16 HA THR 16 -0.347 -2.138 8.488 139 HB THR 16 HB THR 16 1.242 -0.243 8.381 140 HG1 THR 16 HG1 THR 16 -0.993 -0.124 9.252 141 1HG2 THR 16 HG22 THR 16 0.436 -0.088 5.681 142 2HG2 THR 16 HG21 THR 16 -0.289 1.319 6.450 143 3HG2 THR 16 HG23 THR 16 1.452 1.075 6.526 144 H THR 17 HN THR 17 -2.294 -0.363 8.328 145 HA THR 17 HA THR 17 -3.835 -0.969 5.843 146 HB THR 17 HB THR 17 -5.735 -1.718 7.069 147 HG1 THR 17 HG1 THR 17 -5.854 -0.074 8.545 148 1HG2 THR 17 HG21 THR 17 -3.617 -3.223 7.414 149 2HG2 THR 17 HG23 THR 17 -3.566 -2.508 9.023 150 3HG2 THR 17 HG22 THR 17 -4.969 -3.446 8.520 151 H THR 18 HN THR 18 -5.033 0.674 5.054 152 HA THR 18 HA THR 18 -5.169 3.186 6.690 153 HB THR 18 HB THR 18 -3.538 3.126 4.619 154 HG1 THR 18 HG1 THR 18 -5.027 4.878 5.864 155 1HG2 THR 18 HG23 THR 18 -5.592 2.243 3.177 156 2HG2 THR 18 HG22 THR 18 -6.072 3.937 3.203 157 3HG2 THR 18 HG21 THR 18 -4.526 3.470 2.502 158 H GLU 19 HN GLU 19 -7.049 4.384 6.559 159 HA GLU 19 HA GLU 19 -9.417 2.897 5.648 160 1HB GLU 19 HB2 GLU 19 -9.345 5.677 6.832 161 2HB GLU 19 HB1 GLU 19 -10.695 4.549 6.817 162 1HG GLU 19 HG2 GLU 19 -9.985 3.852 8.854 163 2HG GLU 19 HG1 GLU 19 -8.615 3.118 8.029 164 H ALA 20 HN ALA 20 -10.095 3.060 3.611 165 HA ALA 20 HA ALA 20 -10.056 5.735 2.303 166 1HB ALA 20 HB2 ALA 20 -8.494 3.388 1.523 167 2HB ALA 20 HB1 ALA 20 -9.501 4.000 0.214 168 3HB ALA 20 HB3 ALA 20 -8.337 5.059 0.999 169 H VAL 21 HN VAL 21 -11.816 6.132 1.028 170 HA VAL 21 HA VAL 21 -14.025 4.204 1.223 171 HB VAL 21 HB VAL 21 -14.292 6.702 1.535 172 1HG1 VAL 21 HG12 VAL 21 -12.806 6.959 -0.688 173 2HG1 VAL 21 HG11 VAL 21 -14.397 6.955 -1.442 174 3HG1 VAL 21 HG13 VAL 21 -14.000 8.170 -0.230 175 1HG2 VAL 21 HG23 VAL 21 -15.924 5.356 -0.648 176 2HG2 VAL 21 HG22 VAL 21 -16.222 5.232 1.083 177 3HG2 VAL 21 HG21 VAL 21 -16.428 6.776 0.263 178 H ASP 22 HN ASP 22 -11.687 5.193 -1.117 179 HA ASP 22 HA ASP 22 -12.918 3.315 -3.077 180 1HB ASP 22 HB2 ASP 22 -12.073 5.086 -4.839 181 2HB ASP 22 HB1 ASP 22 -13.640 5.295 -4.061 182 H ALA 23 HN ALA 23 -11.402 2.549 -4.696 183 HA ALA 23 HA ALA 23 -8.842 1.890 -3.560 184 1HB ALA 23 HB1 ALA 23 -10.200 1.437 -6.183 185 2HB ALA 23 HB3 ALA 23 -8.461 1.177 -6.092 186 3HB ALA 23 HB2 ALA 23 -9.544 0.263 -5.048 187 H ALA 24 HN ALA 24 -9.922 4.340 -5.820 188 HA ALA 24 HA ALA 24 -7.407 5.120 -6.881 189 1HB ALA 24 HB2 ALA 24 -9.944 5.958 -7.274 190 2HB ALA 24 HB1 ALA 24 -9.353 7.278 -6.271 191 3HB ALA 24 HB3 ALA 24 -8.542 6.893 -7.786 192 H THR 25 HN THR 25 -9.173 6.611 -4.166 193 HA THR 25 HA THR 25 -6.976 8.261 -3.353 194 HB THR 25 HB THR 25 -9.534 8.369 -2.662 195 HG1 THR 25 HG1 THR 25 -8.605 9.321 -0.629 196 1HG2 THR 25 HG21 THR 25 -9.159 6.052 -1.404 197 2HG2 THR 25 HG23 THR 25 -8.393 7.074 -0.192 198 3HG2 THR 25 HG22 THR 25 -10.082 7.328 -0.615 199 H ALA 26 HN ALA 26 -7.585 4.920 -2.974 200 HA ALA 26 HA ALA 26 -5.976 4.573 -0.565 201 1HB ALA 26 HB2 ALA 26 -7.777 2.976 -1.248 202 2HB ALA 26 HB1 ALA 26 -6.780 2.497 -2.615 203 3HB ALA 26 HB3 ALA 26 -6.226 2.189 -0.973 204 H GLU 27 HN GLU 27 -5.460 4.385 -4.037 205 HA GLU 27 HA GLU 27 -2.851 3.220 -3.976 206 1HB GLU 27 HB2 GLU 27 -4.233 5.037 -5.956 207 2HB GLU 27 HB1 GLU 27 -2.628 4.380 -6.235 208 1HG GLU 27 HG2 GLU 27 -3.577 2.074 -5.889 209 2HG GLU 27 HG1 GLU 27 -5.178 2.802 -5.801 210 H LYS 28 HN LYS 28 -3.907 6.611 -4.089 211 HA LYS 28 HA LYS 28 -1.186 7.622 -3.927 212 1HB LYS 28 HB2 LYS 28 -2.305 9.833 -3.602 213 2HB LYS 28 HB1 LYS 28 -2.861 8.973 -5.030 214 1HG LYS 28 HG2 LYS 28 -4.978 9.106 -4.244 215 2HG LYS 28 HG1 LYS 28 -4.507 8.085 -2.899 216 1HD LYS 28 HD2 LYS 28 -5.381 10.059 -1.895 217 2HD LYS 28 HD1 LYS 28 -3.638 10.222 -1.762 218 1HE LYS 28 HE2 LYS 28 -5.568 11.780 -3.391 219 2HE LYS 28 HE1 LYS 28 -4.036 12.282 -2.692 220 1HZ LYS 28 HZ2 LYS 28 -4.218 10.496 -5.045 221 2HZ LYS 28 HZ1 LYS 28 -4.115 12.184 -5.169 222 3HZ LYS 28 HZ3 LYS 28 -2.850 11.307 -4.457 223 H VAL 29 HN VAL 29 -3.784 7.065 -1.606 224 HA VAL 29 HA VAL 29 -2.666 8.470 0.597 225 HB VAL 29 HB VAL 29 -4.456 6.059 0.396 226 1HG1 VAL 29 HG12 VAL 29 -3.133 7.251 2.828 227 2HG1 VAL 29 HG11 VAL 29 -4.733 6.526 2.955 228 3HG1 VAL 29 HG13 VAL 29 -3.367 5.553 2.423 229 1HG2 VAL 29 HG21 VAL 29 -5.041 8.636 0.038 230 2HG2 VAL 29 HG23 VAL 29 -6.154 7.570 0.890 231 3HG2 VAL 29 HG22 VAL 29 -5.082 8.633 1.798 232 H PHE 30 HN PHE 30 -2.430 4.982 -0.105 233 HA PHE 30 HA PHE 30 -0.470 4.421 1.875 234 1HB PHE 30 HB2 PHE 30 -1.340 3.086 -0.663 235 2HB PHE 30 HB1 PHE 30 0.123 2.515 0.129 236 HD1 PHE 30 HD1 PHE 30 -0.206 2.334 2.851 237 HD2 PHE 30 HD2 PHE 30 -3.305 1.971 -0.055 238 HE1 PHE 30 HE1 PHE 30 -1.578 1.082 4.462 239 HE2 PHE 30 HE2 PHE 30 -4.658 0.714 1.558 240 HZ PHE 30 HZ PHE 30 -3.791 0.239 3.806 241 H LYS 31 HN LYS 31 -0.118 5.333 -1.532 242 HA LYS 31 HA LYS 31 2.683 5.100 -1.750 243 1HB LYS 31 HB2 LYS 31 1.111 5.657 -3.626 244 2HB LYS 31 HB1 LYS 31 1.000 7.293 -2.979 245 1HG LYS 31 HG2 LYS 31 3.456 7.554 -3.217 246 2HG LYS 31 HG1 LYS 31 3.567 5.918 -3.853 247 1HD LYS 31 HD2 LYS 31 3.538 7.517 -5.714 248 2HD LYS 31 HD1 LYS 31 2.061 6.562 -5.733 249 1HE LYS 31 HE2 LYS 31 0.736 8.346 -5.053 250 2HE LYS 31 HE1 LYS 31 2.049 9.132 -4.188 251 1HZ LYS 31 HZ2 LYS 31 2.995 9.302 -6.628 252 2HZ LYS 31 HZ1 LYS 31 1.341 9.260 -7.010 253 3HZ LYS 31 HZ3 LYS 31 1.944 10.469 -5.982 254 H GLN 32 HN GLN 32 0.726 7.697 -0.399 255 HA GLN 32 HA GLN 32 2.846 9.566 0.017 256 1HB GLN 32 HB2 GLN 32 0.415 10.104 0.234 257 2HB GLN 32 HB1 GLN 32 0.370 9.165 1.722 258 1HG GLN 32 HG2 GLN 32 1.876 10.665 2.827 259 2HG GLN 32 HG1 GLN 32 2.319 11.451 1.314 260 1HE2 GLN 32 HE22 GLN 32 -0.085 13.916 2.060 261 2HE2 GLN 32 HE21 GLN 32 1.544 13.562 1.744 262 OH TYR 33 OH TYR 33 4.955 2.943 8.307 263 H TYR 33 HN TYR 33 1.754 6.767 1.797 264 HA TYR 33 HA TYR 33 3.368 7.300 4.154 265 1HB TYR 33 HB2 TYR 33 1.370 5.860 4.273 266 2HB TYR 33 HB1 TYR 33 2.128 4.717 3.171 267 HD1 TYR 33 HD1 TYR 33 4.250 3.552 3.878 268 HD2 TYR 33 HD2 TYR 33 1.943 5.863 6.603 269 HE1 TYR 33 HE1 TYR 33 5.389 2.472 5.757 270 HE2 TYR 33 HE2 TYR 33 3.083 4.780 8.485 271 HH TYR 33 HH TYR 33 5.901 3.037 8.175 272 H ALA 34 HN ALA 34 3.618 4.790 1.648 273 HA ALA 34 HA ALA 34 6.130 3.764 2.261 274 1HB ALA 34 HB3 ALA 34 4.382 3.653 0.057 275 2HB ALA 34 HB2 ALA 34 5.942 4.137 -0.601 276 3HB ALA 34 HB1 ALA 34 5.802 2.650 0.333 277 H ASN 35 HN ASN 35 5.363 6.786 0.652 278 HA ASN 35 HA ASN 35 7.989 7.437 -0.263 279 1HB ASN 35 HB2 ASN 35 5.698 8.610 -0.716 280 2HB ASN 35 HB1 ASN 35 6.077 9.533 0.735 281 1HD2 ASN 35 HD22 ASN 35 9.218 10.733 -0.904 282 2HD2 ASN 35 HD21 ASN 35 8.866 9.827 0.487 283 H ASP 36 HN ASP 36 6.385 7.908 2.837 284 HA ASP 36 HA ASP 36 8.482 9.515 4.004 285 1HB ASP 36 HB2 ASP 36 6.407 7.766 5.357 286 2HB ASP 36 HB1 ASP 36 7.371 9.012 6.147 287 H ASN 37 HN ASN 37 8.798 6.584 2.805 288 HA ASN 37 HA ASN 37 10.821 5.780 4.848 289 1HB ASN 37 HB2 ASN 37 8.731 4.027 3.544 290 2HB ASN 37 HB1 ASN 37 10.164 3.374 4.335 291 1HD2 ASN 37 HD22 ASN 37 7.033 4.548 6.571 292 2HD2 ASN 37 HD21 ASN 37 6.969 4.458 4.877 293 H GLY 38 HN GLY 38 9.729 5.773 1.527 294 1HA GLY 38 HA2 GLY 38 11.268 6.037 -0.324 295 2HA GLY 38 HA1 GLY 38 12.542 5.340 0.672 296 H VAL 39 HN VAL 39 9.313 4.374 -0.493 297 HA VAL 39 HA VAL 39 10.530 1.866 -1.551 298 HB VAL 39 HB VAL 39 8.062 2.003 0.204 299 1HG1 VAL 39 HG12 VAL 39 9.052 0.036 -1.743 300 2HG1 VAL 39 HG11 VAL 39 8.798 -0.653 -0.143 301 3HG1 VAL 39 HG13 VAL 39 7.471 0.150 -0.977 302 1HG2 VAL 39 HG23 VAL 39 10.789 0.724 0.621 303 2HG2 VAL 39 HG22 VAL 39 10.197 2.162 1.447 304 3HG2 VAL 39 HG21 VAL 39 9.428 0.605 1.732 305 H ASP 40 HN ASP 40 9.940 3.920 -3.182 306 HA ASP 40 HA ASP 40 7.230 3.387 -4.299 307 1HB ASP 40 HB2 ASP 40 9.220 5.623 -4.655 308 2HB ASP 40 HB1 ASP 40 7.869 5.413 -5.765 309 H GLY 41 HN GLY 41 6.987 2.245 -6.123 310 1HA GLY 41 HA2 GLY 41 8.792 2.243 -8.327 311 2HA GLY 41 HA1 GLY 41 9.141 0.831 -7.333 312 H GLU 42 HN GLU 42 7.714 -0.870 -7.308 313 HA GLU 42 HA GLU 42 5.583 -0.773 -9.390 314 1HB GLU 42 HB2 GLU 42 6.603 -3.210 -7.950 315 2HB GLU 42 HB1 GLU 42 5.747 -3.145 -9.485 316 1HG GLU 42 HG2 GLU 42 7.945 -1.498 -9.921 317 2HG GLU 42 HG1 GLU 42 8.612 -2.798 -8.938 318 CH2 TRP 43 CH2 TRP 43 2.218 2.550 -2.088 319 H TRP 43 HN TRP 43 3.522 -0.657 -8.784 320 HA TRP 43 HA TRP 43 2.836 -1.347 -5.950 321 1HB TRP 43 HB2 TRP 43 1.867 0.791 -7.816 322 2HB TRP 43 HB1 TRP 43 0.878 0.277 -6.460 323 HD1 TRP 43 HD1 TRP 43 4.501 1.438 -7.155 324 HE1 TRP 43 HE1 TRP 43 5.211 2.789 -5.121 325 HE3 TRP 43 HE3 TRP 43 0.493 0.713 -4.305 326 HZ2 TRP 43 HZ2 TRP 43 4.147 3.402 -2.418 327 HZ3 TRP 43 HZ3 TRP 43 0.314 1.589 -2.033 328 HH2 TRP 43 HH2 TRP 43 2.140 2.928 -1.080 329 H THR 44 HN THR 44 1.211 -2.729 -5.563 330 HA THR 44 HA THR 44 -0.397 -3.695 -7.902 331 HB THR 44 HB THR 44 -0.336 -5.968 -6.594 332 HG1 THR 44 HG1 THR 44 1.347 -6.036 -5.142 333 1HG2 THR 44 HG22 THR 44 1.041 -5.395 -8.714 334 2HG2 THR 44 HG21 THR 44 2.349 -4.981 -7.609 335 3HG2 THR 44 HG23 THR 44 1.723 -6.626 -7.657 336 OH TYR 45 OH TYR 45 -8.854 -1.230 -3.027 337 H TYR 45 HN TYR 45 -2.402 -4.833 -7.221 338 HA TYR 45 HA TYR 45 -3.535 -3.833 -4.645 339 1HB TYR 45 HB2 TYR 45 -4.078 -2.360 -6.716 340 2HB TYR 45 HB1 TYR 45 -5.091 -3.706 -7.242 341 HD1 TYR 45 HD1 TYR 45 -6.570 -4.623 -4.918 342 HD2 TYR 45 HD2 TYR 45 -5.356 -0.656 -5.824 343 HE1 TYR 45 HE1 TYR 45 -8.315 -3.759 -3.456 344 HE2 TYR 45 HE2 TYR 45 -7.151 0.207 -4.409 345 HH TYR 45 HH TYR 45 -9.159 -0.401 -3.401 346 H ASP 46 HN ASP 46 -4.523 -5.459 -3.598 347 HA ASP 46 HA ASP 46 -5.256 -7.910 -5.152 348 1HB ASP 46 HB2 ASP 46 -3.545 -7.985 -3.215 349 2HB ASP 46 HB1 ASP 46 -4.941 -7.773 -2.161 350 H ASP 47 HN ASP 47 -7.255 -6.597 -5.694 351 HA ASP 47 HA ASP 47 -9.171 -5.946 -3.661 352 1HB ASP 47 HB2 ASP 47 -9.216 -5.103 -6.032 353 2HB ASP 47 HB1 ASP 47 -9.758 -6.703 -6.535 354 H ALA 48 HN ALA 48 -7.945 -8.869 -4.314 355 HA ALA 48 HA ALA 48 -10.409 -10.451 -4.304 356 1HB ALA 48 HB2 ALA 48 -7.948 -11.006 -5.209 357 2HB ALA 48 HB1 ALA 48 -7.789 -11.676 -3.590 358 3HB ALA 48 HB3 ALA 48 -9.046 -12.272 -4.669 359 H THR 49 HN THR 49 -8.264 -9.084 -1.967 360 HA THR 49 HA THR 49 -9.952 -10.207 0.197 361 HB THR 49 HB THR 49 -7.945 -10.937 1.502 362 HG1 THR 49 HG1 THR 49 -6.230 -10.891 -0.548 363 1HG2 THR 49 HG21 THR 49 -9.031 -12.489 -0.314 364 2HG2 THR 49 HG23 THR 49 -7.625 -12.068 -1.286 365 3HG2 THR 49 HG22 THR 49 -7.414 -12.897 0.251 366 H LYS 50 HN LYS 50 -9.084 -7.555 -1.156 367 HA LYS 50 HA LYS 50 -8.751 -5.344 -0.457 368 1HB LYS 50 HB2 LYS 50 -9.592 -6.370 2.261 369 2HB LYS 50 HB1 LYS 50 -9.707 -4.717 1.670 370 1HG LYS 50 HG2 LYS 50 -11.756 -5.182 0.831 371 2HG LYS 50 HG1 LYS 50 -11.024 -6.362 -0.243 372 1HD LYS 50 HD2 LYS 50 -12.747 -7.456 1.123 373 2HD LYS 50 HD1 LYS 50 -11.162 -8.078 1.556 374 1HE LYS 50 HE2 LYS 50 -12.995 -7.145 3.371 375 2HE LYS 50 HE1 LYS 50 -11.264 -7.209 3.667 376 1HZ LYS 50 HZ2 LYS 50 -11.272 -4.905 2.555 377 2HZ LYS 50 HZ1 LYS 50 -12.931 -4.907 2.919 378 3HZ LYS 50 HZ3 LYS 50 -11.788 -5.047 4.167 379 H THR 51 HN THR 51 -6.448 -6.261 -0.775 380 HA THR 51 HA THR 51 -4.875 -5.465 1.628 381 HB THR 51 HB THR 51 -4.527 -8.095 0.104 382 HG1 THR 51 HG1 THR 51 -4.792 -8.668 2.457 383 1HG2 THR 51 HG22 THR 51 -2.442 -6.645 1.247 384 2HG2 THR 51 HG21 THR 51 -3.006 -7.629 2.587 385 3HG2 THR 51 HG23 THR 51 -2.480 -8.391 1.094 386 H PHE 52 HN PHE 52 -3.649 -3.783 0.848 387 HA PHE 52 HA PHE 52 -2.998 -3.606 -1.995 388 1HB PHE 52 HB2 PHE 52 -2.937 -1.850 0.307 389 2HB PHE 52 HB1 PHE 52 -1.441 -1.748 -0.611 390 HD1 PHE 52 HD1 PHE 52 -1.478 -1.065 -3.011 391 HD2 PHE 52 HD2 PHE 52 -5.022 -1.158 -0.687 392 HE1 PHE 52 HE1 PHE 52 -2.656 0.252 -4.727 393 HE2 PHE 52 HE2 PHE 52 -6.149 0.265 -2.312 394 HZ PHE 52 HZ PHE 52 -4.954 1.010 -4.317 395 H THR 53 HN THR 53 -0.713 -3.390 -2.714 396 HA THR 53 HA THR 53 1.345 -4.459 -0.922 397 HB THR 53 HB THR 53 0.497 -6.034 -3.382 398 HG1 THR 53 HG1 THR 53 -0.429 -7.298 -1.890 399 1HG2 THR 53 HG21 THR 53 3.000 -5.925 -2.010 400 2HG2 THR 53 HG23 THR 53 2.185 -7.386 -1.462 401 3HG2 THR 53 HG22 THR 53 2.486 -7.140 -3.178 402 H VAL 54 HN VAL 54 3.338 -3.768 -1.493 403 HA VAL 54 HA VAL 54 3.740 -2.743 -4.264 404 HB VAL 54 HB VAL 54 3.105 -0.839 -2.745 405 1HG1 VAL 54 HG13 VAL 54 4.199 -1.923 -0.734 406 2HG1 VAL 54 HG12 VAL 54 5.751 -1.419 -1.393 407 3HG1 VAL 54 HG11 VAL 54 4.551 -0.214 -0.937 408 1HG2 VAL 54 HG23 VAL 54 5.937 -0.907 -3.832 409 2HG2 VAL 54 HG22 VAL 54 4.500 -0.323 -4.654 410 3HG2 VAL 54 HG21 VAL 54 5.146 0.555 -3.277 411 H THR 55 HN THR 55 5.938 -2.759 -4.905 412 HA THR 55 HA THR 55 7.898 -3.942 -3.014 413 HB THR 55 HB THR 55 7.241 -5.222 -5.704 414 HG1 THR 55 HG1 THR 55 6.114 -6.574 -4.463 415 1HG2 THR 55 HG21 THR 55 9.464 -5.489 -3.763 416 2HG2 THR 55 HG23 THR 55 8.646 -7.005 -4.134 417 3HG2 THR 55 HG22 THR 55 9.368 -6.054 -5.425 418 H GLU 56 HN GLU 56 9.679 -2.715 -3.171 419 HA GLU 56 HA GLU 56 10.123 -0.881 -5.349 420 1HB GLU 56 HB2 GLU 56 11.156 -1.225 -2.787 421 2HB GLU 56 HB1 GLU 56 12.528 -1.544 -3.837 422 1HG GLU 56 HG2 GLU 56 10.744 0.915 -3.938 423 2HG GLU 56 HG1 GLU 56 12.397 0.863 -3.329 Start of MODEL 8 Raw file had 423 H/Q atoms Entry Start of MODEL 8 1 1H MET 1 HT3 MET 1 -13.501 -1.138 5.797 2 2H MET 1 HT2 MET 1 -15.095 -0.757 5.353 3 3H MET 1 HT1 MET 1 -14.286 -2.042 4.593 4 HA MET 1 HA MET 1 -13.725 -0.628 3.000 5 1HB MET 1 HB2 MET 1 -14.558 1.524 4.957 6 2HB MET 1 HB1 MET 1 -13.993 1.866 3.325 7 1HG MET 1 HG2 MET 1 -15.777 0.538 2.373 8 2HG MET 1 HG1 MET 1 -16.277 -0.008 3.952 9 1HE MET 1 HE3 MET 1 -15.801 2.855 1.586 10 2HE MET 1 HE2 MET 1 -17.323 2.113 1.093 11 3HE MET 1 HE1 MET 1 -17.306 3.767 1.707 12 H THR 2 HN THR 2 -11.763 -1.749 4.450 13 HA THR 2 HA THR 2 -9.670 0.354 4.368 14 HB THR 2 HB THR 2 -9.990 -1.531 6.742 15 HG1 THR 2 HG1 THR 2 -10.198 1.273 6.720 16 1HG2 THR 2 HG23 THR 2 -7.701 -0.236 5.838 17 2HG2 THR 2 HG22 THR 2 -8.405 0.948 6.936 18 3HG2 THR 2 HG21 THR 2 -8.008 -0.665 7.518 19 OH TYR 3 OH TYR 3 -11.561 0.053 -1.283 20 H TYR 3 HN TYR 3 -8.001 -0.372 3.189 21 HA TYR 3 HA TYR 3 -7.799 -3.301 2.709 22 1HB TYR 3 HB2 TYR 3 -6.151 -1.172 1.347 23 2HB TYR 3 HB1 TYR 3 -6.532 -2.787 0.773 24 HD1 TYR 3 HD1 TYR 3 -7.894 0.604 1.315 25 HD2 TYR 3 HD2 TYR 3 -8.691 -3.273 -0.221 26 HE1 TYR 3 HE1 TYR 3 -9.903 1.456 0.192 27 HE2 TYR 3 HE2 TYR 3 -10.695 -2.426 -1.343 28 HH TYR 3 HH TYR 3 -12.267 0.100 -0.634 29 H LYS 4 HN LYS 4 -5.451 -4.092 2.479 30 HA LYS 4 HA LYS 4 -3.862 -3.052 4.796 31 1HB LYS 4 HB2 LYS 4 -4.967 -5.286 5.154 32 2HB LYS 4 HB1 LYS 4 -4.019 -5.914 3.826 33 1HG LYS 4 HG2 LYS 4 -2.012 -5.794 4.996 34 2HG LYS 4 HG1 LYS 4 -2.574 -4.501 6.043 35 1HD LYS 4 HD2 LYS 4 -2.417 -6.652 7.269 36 2HD LYS 4 HD1 LYS 4 -4.075 -6.068 7.207 37 1HE LYS 4 HE2 LYS 4 -3.218 -7.808 4.952 38 2HE LYS 4 HE1 LYS 4 -3.378 -8.596 6.515 39 1HZ LYS 4 HZ1 LYS 4 -5.566 -6.858 6.014 40 2HZ LYS 4 HZ3 LYS 4 -5.396 -7.993 4.761 41 3HZ LYS 4 HZ2 LYS 4 -5.567 -8.519 6.368 42 H LEU 5 HN LEU 5 -2.061 -2.114 4.071 43 HA LEU 5 HA LEU 5 -0.954 -2.838 1.459 44 1HB LEU 5 HB2 LEU 5 -0.911 -0.500 2.053 45 2HB LEU 5 HB1 LEU 5 -0.150 -0.838 3.596 46 HG LEU 5 HG LEU 5 1.907 -1.648 2.310 47 1HD1 LEU 5 HD13 LEU 5 0.346 -0.460 -0.006 48 2HD1 LEU 5 HD12 LEU 5 2.045 -0.898 -0.069 49 3HD1 LEU 5 HD11 LEU 5 0.828 -2.145 0.156 50 1HD2 LEU 5 HD23 LEU 5 1.528 0.724 3.227 51 2HD2 LEU 5 HD22 LEU 5 2.756 0.539 1.978 52 3HD2 LEU 5 HD21 LEU 5 1.171 1.177 1.565 53 H ILE 6 HN ILE 6 1.161 -3.633 1.128 54 HA ILE 6 HA ILE 6 2.566 -4.764 3.453 55 HB ILE 6 HB ILE 6 2.021 -6.347 0.930 56 1HG1 ILE 6 HG12 ILE 6 0.689 -6.337 3.655 57 2HG1 ILE 6 HG11 ILE 6 -0.079 -6.154 2.083 58 1HG2 ILE 6 HG21 ILE 6 4.135 -6.783 2.350 59 2HG2 ILE 6 HG23 ILE 6 3.036 -7.327 3.611 60 3HG2 ILE 6 HG22 ILE 6 3.085 -8.165 2.064 61 1HD1 ILE 6 HD3 ILE 6 0.822 -8.518 1.559 62 2HD1 ILE 6 HD2 ILE 6 1.131 -8.653 3.287 63 3HD1 ILE 6 HD1 ILE 6 -0.510 -8.413 2.704 64 H LEU 7 HN LEU 7 4.383 -3.579 3.345 65 HA LEU 7 HA LEU 7 5.521 -2.748 0.796 66 1HB LEU 7 HB2 LEU 7 6.559 -2.488 3.617 67 2HB LEU 7 HB1 LEU 7 7.300 -1.742 2.209 68 HG LEU 7 HG LEU 7 4.435 -1.209 2.310 69 1HD1 LEU 7 HD13 LEU 7 6.158 -0.430 4.683 70 2HD1 LEU 7 HD12 LEU 7 4.645 0.377 4.284 71 3HD1 LEU 7 HD11 LEU 7 4.646 -1.330 4.716 72 1HD2 LEU 7 HD22 LEU 7 6.902 0.563 2.403 73 2HD2 LEU 7 HD21 LEU 7 6.078 0.032 0.941 74 3HD2 LEU 7 HD23 LEU 7 5.265 1.116 2.065 75 H ASN 8 HN ASN 8 6.761 -3.950 -0.434 76 HA ASN 8 HA ASN 8 8.303 -6.170 0.826 77 1HB ASN 8 HB2 ASN 8 6.735 -5.895 -1.596 78 2HB ASN 8 HB1 ASN 8 8.359 -6.422 -1.983 79 1HD2 ASN 8 HD22 ASN 8 5.876 -9.152 -0.784 80 2HD2 ASN 8 HD21 ASN 8 5.515 -7.738 -1.641 81 H GLY 9 HN GLY 9 9.225 -3.507 1.014 82 1HA GLY 9 HA2 GLY 9 10.980 -2.592 -0.951 83 2HA GLY 9 HA1 GLY 9 11.285 -2.385 0.767 84 H LYS 10 HN LYS 10 12.999 -3.112 -1.635 85 HA LYS 10 HA LYS 10 13.879 -5.815 -1.376 86 1HB LYS 10 HB2 LYS 10 15.914 -5.050 -2.544 87 2HB LYS 10 HB1 LYS 10 14.468 -4.397 -3.303 88 1HG LYS 10 HG2 LYS 10 14.786 -2.334 -1.824 89 2HG LYS 10 HG1 LYS 10 16.375 -2.977 -1.428 90 1HD LYS 10 HD2 LYS 10 16.273 -3.197 -4.198 91 2HD LYS 10 HD1 LYS 10 15.459 -1.669 -3.886 92 1HE LYS 10 HE2 LYS 10 17.790 -1.142 -4.067 93 2HE LYS 10 HE1 LYS 10 17.417 -1.088 -2.349 94 1HZ LYS 10 HZ2 LYS 10 18.172 -3.702 -3.206 95 2HZ LYS 10 HZ1 LYS 10 19.383 -2.557 -3.527 96 3HZ LYS 10 HZ3 LYS 10 18.798 -2.753 -1.945 97 H THR 11 HN THR 11 14.851 -2.835 0.226 98 HA THR 11 HA THR 11 16.648 -4.413 2.012 99 HB THR 11 HB THR 11 17.306 -1.879 2.625 100 HG1 THR 11 HG1 THR 11 17.030 -0.759 0.548 101 1HG2 THR 11 HG21 THR 11 18.081 -3.519 0.208 102 2HG2 THR 11 HG23 THR 11 18.750 -1.905 0.428 103 3HG2 THR 11 HG22 THR 11 19.052 -3.155 1.632 104 H LEU 12 HN LEU 12 13.552 -3.385 1.925 105 HA LEU 12 HA LEU 12 13.382 -3.395 4.875 106 1HB LEU 12 HB2 LEU 12 13.767 -0.981 3.995 107 2HB LEU 12 HB1 LEU 12 12.105 -1.085 3.424 108 HG LEU 12 HG LEU 12 11.824 -2.030 5.974 109 1HD1 LEU 12 HD12 LEU 12 14.239 -1.542 6.427 110 2HD1 LEU 12 HD11 LEU 12 13.928 0.156 6.078 111 3HD1 LEU 12 HD13 LEU 12 13.158 -0.614 7.461 112 1HD2 LEU 12 HD21 LEU 12 11.673 0.756 4.822 113 2HD2 LEU 12 HD23 LEU 12 10.353 -0.358 5.162 114 3HD2 LEU 12 HD22 LEU 12 11.200 0.435 6.487 115 H LYS 13 HN LYS 13 11.215 -3.686 5.655 116 HA LYS 13 HA LYS 13 9.108 -4.176 3.638 117 1HB LYS 13 HB2 LYS 13 10.172 -6.299 5.515 118 2HB LYS 13 HB1 LYS 13 8.648 -6.441 4.652 119 1HG LYS 13 HG2 LYS 13 9.954 -6.038 2.504 120 2HG LYS 13 HG1 LYS 13 11.425 -6.200 3.456 121 1HD LYS 13 HD2 LYS 13 10.789 -8.460 4.132 122 2HD LYS 13 HD1 LYS 13 9.236 -8.300 3.320 123 1HE LYS 13 HE2 LYS 13 11.072 -9.548 2.027 124 2HE LYS 13 HE1 LYS 13 10.253 -8.253 1.163 125 1HZ LYS 13 HZ3 LYS 13 12.658 -7.589 2.686 126 2HZ LYS 13 HZ2 LYS 13 12.845 -8.421 1.218 127 3HZ LYS 13 HZ1 LYS 13 12.065 -6.914 1.245 128 H GLY 14 HN GLY 14 7.015 -4.076 4.501 129 1HA GLY 14 HA2 GLY 14 6.531 -3.953 7.362 130 2HA GLY 14 HA1 GLY 14 6.513 -2.352 6.630 131 H GLU 15 HN GLU 15 4.222 -2.522 7.477 132 HA GLU 15 HA GLU 15 2.409 -2.946 5.300 133 1HB GLU 15 HB2 GLU 15 1.117 -4.848 6.258 134 2HB GLU 15 HB1 GLU 15 2.742 -5.321 5.786 135 1HG GLU 15 HG2 GLU 15 3.438 -4.854 8.209 136 2HG GLU 15 HG1 GLU 15 1.718 -4.751 8.579 137 H THR 16 HN THR 16 0.429 -2.017 5.715 138 HA THR 16 HA THR 16 -0.467 -1.488 8.448 139 HB THR 16 HB THR 16 1.217 0.340 8.162 140 HG1 THR 16 HG1 THR 16 -1.399 1.363 7.830 141 1HG2 THR 16 HG22 THR 16 0.249 0.420 5.518 142 2HG2 THR 16 HG21 THR 16 -0.425 1.856 6.278 143 3HG2 THR 16 HG23 THR 16 1.318 1.604 6.258 144 H THR 17 HN THR 17 -2.626 -0.736 8.518 145 HA THR 17 HA THR 17 -4.050 -1.004 5.905 146 HB THR 17 HB THR 17 -5.924 -1.854 7.112 147 HG1 THR 17 HG1 THR 17 -6.154 -1.297 9.283 148 1HG2 THR 17 HG22 THR 17 -3.493 -3.060 7.632 149 2HG2 THR 17 HG21 THR 17 -4.053 -2.678 9.256 150 3HG2 THR 17 HG23 THR 17 -5.038 -3.684 8.197 151 H THR 18 HN THR 18 -5.231 0.633 5.099 152 HA THR 18 HA THR 18 -5.679 3.032 6.842 153 HB THR 18 HB THR 18 -3.799 3.214 5.002 154 HG1 THR 18 HG1 THR 18 -5.388 5.281 4.520 155 1HG2 THR 18 HG22 THR 18 -5.640 2.342 3.258 156 2HG2 THR 18 HG21 THR 18 -6.147 4.027 3.307 157 3HG2 THR 18 HG23 THR 18 -4.512 3.612 2.800 158 H GLU 19 HN GLU 19 -7.560 4.231 6.422 159 HA GLU 19 HA GLU 19 -9.724 2.647 5.195 160 1HB GLU 19 HB2 GLU 19 -9.579 5.098 6.917 161 2HB GLU 19 HB1 GLU 19 -11.051 4.772 6.008 162 1HG GLU 19 HG2 GLU 19 -11.358 2.652 7.084 163 2HG GLU 19 HG1 GLU 19 -9.735 2.686 7.768 164 H ALA 20 HN ALA 20 -10.491 2.982 3.201 165 HA ALA 20 HA ALA 20 -10.095 5.643 1.922 166 1HB ALA 20 HB1 ALA 20 -8.724 3.191 1.216 167 2HB ALA 20 HB3 ALA 20 -9.700 3.770 -0.131 168 3HB ALA 20 HB2 ALA 20 -8.480 4.816 0.588 169 H VAL 21 HN VAL 21 -11.734 6.236 0.543 170 HA VAL 21 HA VAL 21 -14.155 4.555 0.632 171 HB VAL 21 HB VAL 21 -14.223 7.038 1.023 172 1HG1 VAL 21 HG12 VAL 21 -12.499 7.429 -0.865 173 2HG1 VAL 21 HG11 VAL 21 -13.857 7.261 -1.972 174 3HG1 VAL 21 HG13 VAL 21 -13.852 8.553 -0.776 175 1HG2 VAL 21 HG21 VAL 21 -16.228 5.752 0.294 176 2HG2 VAL 21 HG23 VAL 21 -16.237 7.388 -0.357 177 3HG2 VAL 21 HG22 VAL 21 -15.782 6.034 -1.386 178 H ASP 22 HN ASP 22 -11.647 5.410 -1.587 179 HA ASP 22 HA ASP 22 -12.906 3.647 -3.622 180 1HB ASP 22 HB2 ASP 22 -12.042 5.397 -5.355 181 2HB ASP 22 HB1 ASP 22 -13.562 5.714 -4.522 182 H ALA 23 HN ALA 23 -11.470 2.304 -4.552 183 HA ALA 23 HA ALA 23 -8.919 1.819 -3.593 184 1HB ALA 23 HB1 ALA 23 -10.320 1.233 -6.131 185 2HB ALA 23 HB3 ALA 23 -8.564 1.116 -6.194 186 3HB ALA 23 HB2 ALA 23 -9.470 0.143 -5.039 187 H ALA 24 HN ALA 24 -9.910 4.363 -5.714 188 HA ALA 24 HA ALA 24 -7.361 5.003 -6.859 189 1HB ALA 24 HB1 ALA 24 -9.819 6.673 -6.308 190 2HB ALA 24 HB3 ALA 24 -8.403 7.311 -7.138 191 3HB ALA 24 HB2 ALA 24 -9.311 5.977 -7.844 192 H THR 25 HN THR 25 -9.071 6.701 -4.227 193 HA THR 25 HA THR 25 -6.855 8.269 -3.413 194 HB THR 25 HB THR 25 -9.342 8.472 -2.662 195 HG1 THR 25 HG1 THR 25 -7.366 9.579 -1.904 196 1HG2 THR 25 HG23 THR 25 -9.009 6.011 -1.557 197 2HG2 THR 25 HG22 THR 25 -8.432 7.006 -0.224 198 3HG2 THR 25 HG21 THR 25 -10.066 7.221 -0.839 199 H ALA 26 HN ALA 26 -7.475 4.920 -2.976 200 HA ALA 26 HA ALA 26 -5.812 4.571 -0.615 201 1HB ALA 26 HB3 ALA 26 -7.583 2.946 -1.291 202 2HB ALA 26 HB2 ALA 26 -6.611 2.518 -2.696 203 3HB ALA 26 HB1 ALA 26 -6.011 2.183 -1.074 204 H GLU 27 HN GLU 27 -5.332 4.319 -4.098 205 HA GLU 27 HA GLU 27 -2.685 3.258 -4.034 206 1HB GLU 27 HB2 GLU 27 -4.139 4.982 -6.049 207 2HB GLU 27 HB1 GLU 27 -2.525 4.348 -6.329 208 1HG GLU 27 HG2 GLU 27 -3.444 2.032 -5.872 209 2HG GLU 27 HG1 GLU 27 -5.052 2.747 -5.839 210 H LYS 28 HN LYS 28 -3.935 6.535 -3.816 211 HA LYS 28 HA LYS 28 -1.232 7.698 -3.855 212 1HB LYS 28 HB2 LYS 28 -3.494 9.374 -2.962 213 2HB LYS 28 HB1 LYS 28 -2.276 9.694 -4.190 214 1HG LYS 28 HG2 LYS 28 -3.463 7.948 -5.636 215 2HG LYS 28 HG1 LYS 28 -4.771 7.997 -4.459 216 1HD LYS 28 HD2 LYS 28 -5.035 10.418 -4.824 217 2HD LYS 28 HD1 LYS 28 -3.693 10.405 -5.964 218 1HE LYS 28 HE2 LYS 28 -4.978 9.553 -7.636 219 2HE LYS 28 HE1 LYS 28 -5.750 8.390 -6.566 220 1HZ LYS 28 HZ3 LYS 28 -6.515 11.116 -6.066 221 2HZ LYS 28 HZ2 LYS 28 -6.941 10.562 -7.614 222 3HZ LYS 28 HZ1 LYS 28 -7.479 9.728 -6.235 223 H VAL 29 HN VAL 29 -3.854 7.256 -1.510 224 HA VAL 29 HA VAL 29 -2.666 8.539 0.704 225 HB VAL 29 HB VAL 29 -4.485 6.132 0.547 226 1HG1 VAL 29 HG12 VAL 29 -3.241 7.530 2.901 227 2HG1 VAL 29 HG11 VAL 29 -4.876 6.894 3.045 228 3HG1 VAL 29 HG13 VAL 29 -3.540 5.811 2.667 229 1HG2 VAL 29 HG23 VAL 29 -5.036 8.694 -0.048 230 2HG2 VAL 29 HG22 VAL 29 -6.209 7.660 0.760 231 3HG2 VAL 29 HG21 VAL 29 -5.234 8.785 1.699 232 H PHE 30 HN PHE 30 -2.503 5.078 -0.128 233 HA PHE 30 HA PHE 30 -0.612 4.417 1.906 234 1HB PHE 30 HB2 PHE 30 -1.534 3.130 -0.632 235 2HB PHE 30 HB1 PHE 30 -0.069 2.515 0.117 236 HD1 PHE 30 HD1 PHE 30 -0.373 2.349 2.874 237 HD2 PHE 30 HD2 PHE 30 -3.474 1.974 -0.030 238 HE1 PHE 30 HE1 PHE 30 -1.750 1.106 4.489 239 HE2 PHE 30 HE2 PHE 30 -4.819 0.712 1.585 240 HZ PHE 30 HZ PHE 30 -3.952 0.244 3.833 241 H LYS 31 HN LYS 31 -0.173 5.322 -1.498 242 HA LYS 31 HA LYS 31 2.617 4.971 -1.679 243 1HB LYS 31 HB2 LYS 31 1.203 5.573 -3.602 244 2HB LYS 31 HB1 LYS 31 0.960 7.179 -2.918 245 1HG LYS 31 HG2 LYS 31 3.289 7.730 -3.144 246 2HG LYS 31 HG1 LYS 31 3.721 6.062 -3.482 247 1HD LYS 31 HD2 LYS 31 3.732 7.146 -5.609 248 2HD LYS 31 HD1 LYS 31 2.224 6.247 -5.568 249 1HE LYS 31 HE2 LYS 31 1.956 8.604 -6.395 250 2HE LYS 31 HE1 LYS 31 0.978 8.255 -4.979 251 1HZ LYS 31 HZ1 LYS 31 3.672 9.386 -4.654 252 2HZ LYS 31 HZ3 LYS 31 2.373 10.400 -5.067 253 3HZ LYS 31 HZ2 LYS 31 2.326 9.503 -3.626 254 H GLN 32 HN GLN 32 0.782 7.643 -0.295 255 HA GLN 32 HA GLN 32 2.983 9.407 0.141 256 1HB GLN 32 HB2 GLN 32 0.685 10.177 0.416 257 2HB GLN 32 HB1 GLN 32 0.433 9.044 1.739 258 1HG GLN 32 HG2 GLN 32 1.866 10.231 3.191 259 2HG GLN 32 HG1 GLN 32 2.674 11.062 1.864 260 1HE2 GLN 32 HE22 GLN 32 0.481 13.662 3.145 261 2HE2 GLN 32 HE21 GLN 32 1.981 12.938 3.474 262 OH TYR 33 OH TYR 33 4.976 2.524 8.248 263 H TYR 33 HN TYR 33 1.672 6.741 2.038 264 HA TYR 33 HA TYR 33 3.305 7.105 4.355 265 1HB TYR 33 HB2 TYR 33 1.364 5.592 4.349 266 2HB TYR 33 HB1 TYR 33 2.177 4.547 3.190 267 HD1 TYR 33 HD1 TYR 33 4.324 3.406 3.857 268 HD2 TYR 33 HD2 TYR 33 1.898 5.454 6.685 269 HE1 TYR 33 HE1 TYR 33 5.468 2.240 5.679 270 HE2 TYR 33 HE2 TYR 33 3.043 4.285 8.513 271 HH TYR 33 HH TYR 33 4.310 2.210 8.863 272 H ALA 34 HN ALA 34 3.726 4.789 1.690 273 HA ALA 34 HA ALA 34 6.262 3.817 2.342 274 1HB ALA 34 HB3 ALA 34 4.615 3.949 -0.035 275 2HB ALA 34 HB2 ALA 34 6.315 4.145 -0.450 276 3HB ALA 34 HB1 ALA 34 5.783 2.719 0.434 277 H ASN 35 HN ASN 35 5.393 6.904 0.967 278 HA ASN 35 HA ASN 35 7.985 7.706 0.064 279 1HB ASN 35 HB2 ASN 35 5.582 8.811 -0.193 280 2HB ASN 35 HB1 ASN 35 6.108 9.728 1.216 281 1HD2 ASN 35 HD22 ASN 35 8.142 11.837 -0.709 282 2HD2 ASN 35 HD21 ASN 35 7.266 11.580 0.722 283 H ASP 36 HN ASP 36 6.448 7.791 3.215 284 HA ASP 36 HA ASP 36 8.553 9.401 4.433 285 1HB ASP 36 HB2 ASP 36 6.216 7.828 5.507 286 2HB ASP 36 HB1 ASP 36 7.402 8.557 6.587 287 H ASN 37 HN ASN 37 9.089 6.724 3.045 288 HA ASN 37 HA ASN 37 10.862 5.674 5.193 289 1HB ASN 37 HB2 ASN 37 9.016 3.997 3.477 290 2HB ASN 37 HB1 ASN 37 10.278 3.342 4.518 291 1HD2 ASN 37 HD22 ASN 37 6.819 4.769 6.157 292 2HD2 ASN 37 HD21 ASN 37 7.154 5.013 4.512 293 H GLY 38 HN GLY 38 9.997 5.623 1.772 294 1HA GLY 38 HA2 GLY 38 11.804 6.260 0.160 295 2HA GLY 38 HA1 GLY 38 12.904 5.281 1.123 296 H VAL 39 HN VAL 39 9.607 4.558 0.057 297 HA VAL 39 HA VAL 39 10.698 2.238 -1.500 298 HB VAL 39 HB VAL 39 8.046 2.329 -0.043 299 1HG1 VAL 39 HG12 VAL 39 8.250 0.784 -2.005 300 2HG1 VAL 39 HG11 VAL 39 9.639 0.030 -1.230 301 3HG1 VAL 39 HG13 VAL 39 8.048 -0.081 -0.485 302 1HG2 VAL 39 HG21 VAL 39 10.793 1.675 0.859 303 2HG2 VAL 39 HG23 VAL 39 9.386 2.148 1.805 304 3HG2 VAL 39 HG22 VAL 39 9.567 0.480 1.269 305 H ASP 40 HN ASP 40 10.559 2.973 -3.561 306 HA ASP 40 HA ASP 40 7.836 3.624 -4.555 307 1HB ASP 40 HB2 ASP 40 10.254 5.290 -5.286 308 2HB ASP 40 HB1 ASP 40 8.578 5.590 -5.737 309 H GLY 41 HN GLY 41 7.524 2.023 -5.980 310 1HA GLY 41 HA2 GLY 41 9.290 1.811 -8.299 311 2HA GLY 41 HA1 GLY 41 9.327 0.385 -7.265 312 H GLU 42 HN GLU 42 7.741 -1.096 -7.479 313 HA GLU 42 HA GLU 42 5.587 -0.502 -9.452 314 1HB GLU 42 HB2 GLU 42 6.364 -3.173 -8.291 315 2HB GLU 42 HB1 GLU 42 5.374 -2.883 -9.714 316 1HG GLU 42 HG2 GLU 42 7.252 -2.929 -10.971 317 2HG GLU 42 HG1 GLU 42 7.802 -1.478 -10.140 318 CH2 TRP 43 CH2 TRP 43 2.188 2.421 -2.183 319 H TRP 43 HN TRP 43 3.414 -0.906 -8.963 320 HA TRP 43 HA TRP 43 2.807 -1.354 -6.063 321 1HB TRP 43 HB2 TRP 43 1.808 0.745 -7.958 322 2HB TRP 43 HB1 TRP 43 0.813 0.243 -6.601 323 HD1 TRP 43 HD1 TRP 43 4.401 1.494 -7.317 324 HE1 TRP 43 HE1 TRP 43 5.125 2.794 -5.256 325 HE3 TRP 43 HE3 TRP 43 0.445 0.637 -4.426 326 HZ2 TRP 43 HZ2 TRP 43 4.093 3.317 -2.519 327 HZ3 TRP 43 HZ3 TRP 43 0.300 1.437 -2.123 328 HH2 TRP 43 HH2 TRP 43 2.121 2.763 -1.161 329 H THR 44 HN THR 44 1.192 -2.741 -5.607 330 HA THR 44 HA THR 44 -0.423 -3.792 -7.909 331 HB THR 44 HB THR 44 -0.335 -6.021 -6.524 332 HG1 THR 44 HG1 THR 44 2.120 -5.232 -5.659 333 1HG2 THR 44 HG21 THR 44 0.996 -5.520 -8.683 334 2HG2 THR 44 HG23 THR 44 2.317 -5.036 -7.625 335 3HG2 THR 44 HG22 THR 44 1.724 -6.692 -7.589 336 OH TYR 45 OH TYR 45 -8.873 -1.298 -3.068 337 H TYR 45 HN TYR 45 -2.385 -5.005 -7.136 338 HA TYR 45 HA TYR 45 -3.541 -3.928 -4.610 339 1HB TYR 45 HB2 TYR 45 -4.076 -2.493 -6.707 340 2HB TYR 45 HB1 TYR 45 -5.085 -3.848 -7.214 341 HD1 TYR 45 HD1 TYR 45 -6.583 -4.727 -4.891 342 HD2 TYR 45 HD2 TYR 45 -5.352 -0.776 -5.846 343 HE1 TYR 45 HE1 TYR 45 -8.339 -3.836 -3.457 344 HE2 TYR 45 HE2 TYR 45 -7.156 0.117 -4.461 345 HH TYR 45 HH TYR 45 -8.577 -1.327 -2.155 346 H ASP 46 HN ASP 46 -4.544 -5.537 -3.541 347 HA ASP 46 HA ASP 46 -5.280 -8.011 -5.062 348 1HB ASP 46 HB2 ASP 46 -3.559 -8.089 -3.144 349 2HB ASP 46 HB1 ASP 46 -4.934 -7.830 -2.075 350 H ASP 47 HN ASP 47 -7.286 -6.795 -5.634 351 HA ASP 47 HA ASP 47 -9.201 -6.050 -3.626 352 1HB ASP 47 HB2 ASP 47 -9.360 -5.206 -5.916 353 2HB ASP 47 HB1 ASP 47 -9.615 -6.840 -6.521 354 H ALA 48 HN ALA 48 -7.966 -8.990 -4.089 355 HA ALA 48 HA ALA 48 -10.449 -10.562 -4.054 356 1HB ALA 48 HB1 ALA 48 -7.957 -11.145 -4.919 357 2HB ALA 48 HB3 ALA 48 -7.875 -11.832 -3.299 358 3HB ALA 48 HB2 ALA 48 -9.112 -12.380 -4.426 359 H THR 49 HN THR 49 -7.992 -9.493 -1.774 360 HA THR 49 HA THR 49 -9.747 -10.453 0.455 361 HB THR 49 HB THR 49 -7.629 -11.008 1.731 362 HG1 THR 49 HG1 THR 49 -6.089 -9.863 0.737 363 1HG2 THR 49 HG22 THR 49 -7.879 -12.334 -0.999 364 2HG2 THR 49 HG21 THR 49 -6.954 -12.981 0.352 365 3HG2 THR 49 HG23 THR 49 -8.707 -12.860 0.463 366 H LYS 50 HN LYS 50 -8.970 -7.817 -0.997 367 HA LYS 50 HA LYS 50 -8.707 -5.580 -0.360 368 1HB LYS 50 HB2 LYS 50 -9.398 -6.485 2.434 369 2HB LYS 50 HB1 LYS 50 -9.711 -4.919 1.692 370 1HG LYS 50 HG2 LYS 50 -11.231 -6.047 0.054 371 2HG LYS 50 HG1 LYS 50 -10.980 -7.564 0.909 372 1HD LYS 50 HD2 LYS 50 -11.634 -5.809 2.953 373 2HD LYS 50 HD1 LYS 50 -12.668 -5.273 1.635 374 1HE LYS 50 HE2 LYS 50 -12.475 -8.074 2.780 375 2HE LYS 50 HE1 LYS 50 -13.862 -6.995 2.849 376 1HZ LYS 50 HZ3 LYS 50 -12.828 -7.598 0.202 377 2HZ LYS 50 HZ2 LYS 50 -13.585 -8.879 1.022 378 3HZ LYS 50 HZ1 LYS 50 -14.433 -7.435 0.736 379 H THR 51 HN THR 51 -6.371 -6.440 -0.700 380 HA THR 51 HA THR 51 -4.798 -5.537 1.665 381 HB THR 51 HB THR 51 -4.344 -8.159 0.161 382 HG1 THR 51 HG1 THR 51 -4.576 -8.723 2.524 383 1HG2 THR 51 HG22 THR 51 -2.309 -6.628 1.247 384 2HG2 THR 51 HG21 THR 51 -2.845 -7.546 2.645 385 3HG2 THR 51 HG23 THR 51 -2.297 -8.382 1.200 386 H PHE 52 HN PHE 52 -3.649 -3.825 0.872 387 HA PHE 52 HA PHE 52 -3.011 -3.633 -1.966 388 1HB PHE 52 HB2 PHE 52 -3.039 -1.884 0.320 389 2HB PHE 52 HB1 PHE 52 -1.510 -1.744 -0.536 390 HD1 PHE 52 HD1 PHE 52 -1.509 -1.159 -2.992 391 HD2 PHE 52 HD2 PHE 52 -5.071 -1.171 -0.701 392 HE1 PHE 52 HE1 PHE 52 -2.655 0.132 -4.748 393 HE2 PHE 52 HE2 PHE 52 -6.172 0.233 -2.366 394 HZ PHE 52 HZ PHE 52 -4.954 0.922 -4.377 395 H THR 53 HN THR 53 -0.745 -3.415 -2.725 396 HA THR 53 HA THR 53 1.347 -4.387 -0.908 397 HB THR 53 HB THR 53 0.566 -6.029 -3.345 398 HG1 THR 53 HG1 THR 53 -0.597 -7.039 -1.892 399 1HG2 THR 53 HG23 THR 53 2.980 -5.883 -1.709 400 2HG2 THR 53 HG22 THR 53 2.187 -7.443 -1.512 401 3HG2 THR 53 HG21 THR 53 2.673 -6.898 -3.115 402 H VAL 54 HN VAL 54 3.314 -3.663 -1.483 403 HA VAL 54 HA VAL 54 3.696 -2.643 -4.260 404 HB VAL 54 HB VAL 54 3.043 -0.749 -2.737 405 1HG1 VAL 54 HG11 VAL 54 4.102 -1.792 -0.716 406 2HG1 VAL 54 HG13 VAL 54 5.675 -1.348 -1.366 407 3HG1 VAL 54 HG12 VAL 54 4.510 -0.100 -0.941 408 1HG2 VAL 54 HG21 VAL 54 5.842 -0.811 -3.886 409 2HG2 VAL 54 HG23 VAL 54 4.395 -0.119 -4.593 410 3HG2 VAL 54 HG22 VAL 54 5.141 0.646 -3.201 411 H THR 55 HN THR 55 5.885 -2.672 -4.918 412 HA THR 55 HA THR 55 7.857 -3.861 -3.040 413 HB THR 55 HB THR 55 7.201 -5.100 -5.749 414 HG1 THR 55 HG1 THR 55 6.139 -6.533 -4.512 415 1HG2 THR 55 HG21 THR 55 9.417 -5.408 -3.794 416 2HG2 THR 55 HG23 THR 55 8.618 -6.913 -4.242 417 3HG2 THR 55 HG22 THR 55 9.349 -5.901 -5.481 418 H GLU 56 HN GLU 56 9.598 -2.575 -3.171 419 HA GLU 56 HA GLU 56 10.050 -0.717 -5.306 420 1HB GLU 56 HB2 GLU 56 11.122 -1.154 -2.776 421 2HB GLU 56 HB1 GLU 56 12.471 -1.472 -3.858 422 1HG GLU 56 HG2 GLU 56 10.732 1.023 -3.911 423 2HG GLU 56 HG1 GLU 56 12.361 0.929 -3.244 Start of MODEL 9 Raw file had 423 H/Q atoms Entry Start of MODEL 9 1 1H MET 1 HT3 MET 1 -13.148 1.859 2.693 2 2H MET 1 HT2 MET 1 -14.551 0.975 2.325 3 3H MET 1 HT1 MET 1 -14.387 1.711 3.846 4 HA MET 1 HA MET 1 -13.669 -0.248 4.568 5 1HB MET 1 HB2 MET 1 -14.241 -0.936 1.949 6 2HB MET 1 HB1 MET 1 -12.550 -1.392 2.114 7 1HG MET 1 HG2 MET 1 -13.956 -3.251 2.781 8 2HG MET 1 HG1 MET 1 -13.080 -2.642 4.159 9 1HE MET 1 HE1 MET 1 -16.436 -2.811 2.286 10 2HE MET 1 HE3 MET 1 -16.037 -4.282 3.174 11 3HE MET 1 HE2 MET 1 -17.450 -3.332 3.632 12 H THR 2 HN THR 2 -11.696 -0.994 5.351 13 HA THR 2 HA THR 2 -9.365 0.676 4.554 14 HB THR 2 HB THR 2 -9.713 -1.088 7.015 15 HG1 THR 2 HG1 THR 2 -10.135 0.992 7.925 16 1HG2 THR 2 HG21 THR 2 -7.391 0.070 5.970 17 2HG2 THR 2 HG23 THR 2 -7.981 1.279 7.106 18 3HG2 THR 2 HG22 THR 2 -7.640 -0.358 7.659 19 OH TYR 3 OH TYR 3 -11.520 0.319 -0.960 20 H TYR 3 HN TYR 3 -7.820 -0.189 3.308 21 HA TYR 3 HA TYR 3 -7.770 -3.143 2.974 22 1HB TYR 3 HB2 TYR 3 -6.070 -1.179 1.439 23 2HB TYR 3 HB1 TYR 3 -6.590 -2.789 0.954 24 HD1 TYR 3 HD1 TYR 3 -7.831 0.655 1.641 25 HD2 TYR 3 HD2 TYR 3 -8.688 -3.109 -0.134 26 HE1 TYR 3 HE1 TYR 3 -9.833 1.603 0.588 27 HE2 TYR 3 HE2 TYR 3 -10.685 -2.163 -1.190 28 HH TYR 3 HH TYR 3 -11.670 1.187 -0.580 29 H LYS 4 HN LYS 4 -5.396 -3.966 2.581 30 HA LYS 4 HA LYS 4 -3.727 -2.985 4.867 31 1HB LYS 4 HB2 LYS 4 -4.868 -5.257 5.140 32 2HB LYS 4 HB1 LYS 4 -3.849 -5.829 3.845 33 1HG LYS 4 HG2 LYS 4 -1.983 -5.906 5.155 34 2HG LYS 4 HG1 LYS 4 -2.378 -4.414 5.991 35 1HD LYS 4 HD2 LYS 4 -4.022 -5.578 7.378 36 2HD LYS 4 HD1 LYS 4 -3.757 -7.070 6.483 37 1HE LYS 4 HE2 LYS 4 -1.564 -7.334 7.342 38 2HE LYS 4 HE1 LYS 4 -1.465 -5.650 7.844 39 1HZ LYS 4 HZ1 LYS 4 -3.224 -6.126 9.479 40 2HZ LYS 4 HZ3 LYS 4 -3.156 -7.766 9.049 41 3HZ LYS 4 HZ2 LYS 4 -1.803 -7.017 9.750 42 H LEU 5 HN LEU 5 -1.885 -2.092 4.121 43 HA LEU 5 HA LEU 5 -0.917 -2.781 1.443 44 1HB LEU 5 HB2 LEU 5 -0.759 -0.460 2.102 45 2HB LEU 5 HB1 LEU 5 0.075 -0.871 3.593 46 HG LEU 5 HG LEU 5 2.022 -1.714 2.189 47 1HD1 LEU 5 HD13 LEU 5 0.373 -0.467 -0.032 48 2HD1 LEU 5 HD12 LEU 5 2.064 -0.920 -0.187 49 3HD1 LEU 5 HD11 LEU 5 0.846 -2.157 0.083 50 1HD2 LEU 5 HD21 LEU 5 1.880 0.600 3.166 51 2HD2 LEU 5 HD23 LEU 5 2.869 0.499 1.712 52 3HD2 LEU 5 HD22 LEU 5 1.238 1.152 1.623 53 H ILE 6 HN ILE 6 1.132 -3.673 0.997 54 HA ILE 6 HA ILE 6 2.529 -4.999 3.234 55 HB ILE 6 HB ILE 6 1.633 -6.179 0.615 56 1HG1 ILE 6 HG12 ILE 6 1.595 -7.207 3.477 57 2HG1 ILE 6 HG11 ILE 6 0.242 -6.394 2.706 58 1HG2 ILE 6 HG22 ILE 6 3.993 -6.940 2.346 59 2HG2 ILE 6 HG21 ILE 6 3.168 -8.149 1.371 60 3HG2 ILE 6 HG23 ILE 6 3.933 -6.772 0.597 61 1HD1 ILE 6 HD3 ILE 6 0.753 -8.309 0.839 62 2HD1 ILE 6 HD2 ILE 6 1.274 -9.154 2.292 63 3HD1 ILE 6 HD1 ILE 6 -0.369 -8.543 2.172 64 H LEU 7 HN LEU 7 4.321 -3.754 3.327 65 HA LEU 7 HA LEU 7 5.561 -2.689 0.914 66 1HB LEU 7 HB2 LEU 7 6.408 -2.662 3.809 67 2HB LEU 7 HB1 LEU 7 7.299 -1.854 2.525 68 HG LEU 7 HG LEU 7 4.454 -1.226 2.404 69 1HD1 LEU 7 HD13 LEU 7 5.974 -0.575 4.951 70 2HD1 LEU 7 HD12 LEU 7 4.455 0.179 4.481 71 3HD1 LEU 7 HD11 LEU 7 4.512 -1.546 4.828 72 1HD2 LEU 7 HD23 LEU 7 6.950 0.451 2.841 73 2HD2 LEU 7 HD22 LEU 7 6.260 0.036 1.275 74 3HD2 LEU 7 HD21 LEU 7 5.369 1.076 2.382 75 H ASN 8 HN ASN 8 6.711 -3.927 -0.394 76 HA ASN 8 HA ASN 8 8.321 -6.144 0.788 77 1HB ASN 8 HB2 ASN 8 6.695 -5.845 -1.601 78 2HB ASN 8 HB1 ASN 8 8.312 -6.367 -2.019 79 1HD2 ASN 8 HD22 ASN 8 5.867 -9.124 -0.833 80 2HD2 ASN 8 HD21 ASN 8 5.500 -7.711 -1.688 81 H GLY 9 HN GLY 9 9.220 -3.481 1.011 82 1HA GLY 9 HA2 GLY 9 10.930 -2.574 -1.027 83 2HA GLY 9 HA1 GLY 9 11.218 -2.270 0.674 84 H LYS 10 HN LYS 10 13.096 -2.910 -1.505 85 HA LYS 10 HA LYS 10 14.004 -5.596 -1.381 86 1HB LYS 10 HB2 LYS 10 14.761 -3.832 -3.025 87 2HB LYS 10 HB1 LYS 10 15.739 -3.142 -1.736 88 1HG LYS 10 HG2 LYS 10 17.152 -4.629 -3.046 89 2HG LYS 10 HG1 LYS 10 16.882 -5.365 -1.473 90 1HD LYS 10 HD2 LYS 10 15.701 -7.109 -2.357 91 2HD LYS 10 HD1 LYS 10 14.855 -6.084 -3.508 92 1HE LYS 10 HE2 LYS 10 16.843 -6.012 -4.947 93 2HE LYS 10 HE1 LYS 10 17.747 -6.963 -3.776 94 1HZ LYS 10 HZ1 LYS 10 15.979 -8.703 -4.077 95 2HZ LYS 10 HZ3 LYS 10 15.442 -7.812 -5.420 96 3HZ LYS 10 HZ2 LYS 10 17.013 -8.456 -5.402 97 H THR 11 HN THR 11 15.398 -2.782 0.290 98 HA THR 11 HA THR 11 16.644 -4.623 2.235 99 HB THR 11 HB THR 11 17.923 -2.603 2.924 100 HG1 THR 11 HG1 THR 11 16.382 -1.365 0.890 101 1HG2 THR 11 HG23 THR 11 18.460 -3.885 0.683 102 2HG2 THR 11 HG22 THR 11 17.758 -2.464 -0.083 103 3HG2 THR 11 HG21 THR 11 19.183 -2.301 0.939 104 H LEU 12 HN LEU 12 13.686 -3.450 2.012 105 HA LEU 12 HA LEU 12 13.386 -3.304 4.948 106 1HB LEU 12 HB2 LEU 12 13.868 -0.955 4.085 107 2HB LEU 12 HB1 LEU 12 12.316 -1.041 3.260 108 HG LEU 12 HG LEU 12 11.584 -1.878 5.743 109 1HD1 LEU 12 HD13 LEU 12 13.893 -1.511 6.607 110 2HD1 LEU 12 HD12 LEU 12 13.779 0.185 6.143 111 3HD1 LEU 12 HD11 LEU 12 12.724 -0.458 7.398 112 1HD2 LEU 12 HD22 LEU 12 11.766 0.874 4.514 113 2HD2 LEU 12 HD21 LEU 12 10.349 -0.156 4.689 114 3HD2 LEU 12 HD23 LEU 12 11.034 0.644 6.099 115 H LYS 13 HN LYS 13 11.446 -4.078 5.620 116 HA LYS 13 HA LYS 13 9.262 -4.363 3.602 117 1HB LYS 13 HB2 LYS 13 10.365 -6.534 5.402 118 2HB LYS 13 HB1 LYS 13 8.815 -6.659 4.585 119 1HG LYS 13 HG2 LYS 13 9.825 -7.252 2.654 120 2HG LYS 13 HG1 LYS 13 10.844 -5.822 2.701 121 1HD LYS 13 HD2 LYS 13 12.370 -6.992 4.292 122 2HD LYS 13 HD1 LYS 13 11.377 -8.437 4.143 123 1HE LYS 13 HE2 LYS 13 11.832 -7.779 1.504 124 2HE LYS 13 HE1 LYS 13 13.351 -7.316 2.263 125 1HZ LYS 13 HZ2 LYS 13 12.357 -9.849 3.170 126 2HZ LYS 13 HZ1 LYS 13 12.672 -9.818 1.500 127 3HZ LYS 13 HZ3 LYS 13 13.902 -9.425 2.605 128 H GLY 14 HN GLY 14 7.172 -4.287 4.459 129 1HA GLY 14 HA2 GLY 14 6.725 -4.221 7.341 130 2HA GLY 14 HA1 GLY 14 6.628 -2.626 6.603 131 H GLU 15 HN GLU 15 4.368 -2.863 7.481 132 HA GLU 15 HA GLU 15 2.531 -3.367 5.354 133 1HB GLU 15 HB2 GLU 15 1.320 -5.294 6.547 134 2HB GLU 15 HB1 GLU 15 2.807 -5.699 5.698 135 1HG GLU 15 HG2 GLU 15 4.064 -5.792 7.719 136 2HG GLU 15 HG1 GLU 15 2.815 -4.946 8.628 137 H THR 16 HN THR 16 0.523 -2.508 5.821 138 HA THR 16 HA THR 16 -0.317 -2.017 8.574 139 HB THR 16 HB THR 16 1.426 -0.161 7.984 140 HG1 THR 16 HG1 THR 16 0.296 0.726 9.536 141 1HG2 THR 16 HG23 THR 16 0.094 0.195 5.693 142 2HG2 THR 16 HG22 THR 16 -0.964 1.154 6.724 143 3HG2 THR 16 HG21 THR 16 0.736 1.580 6.569 144 H THR 17 HN THR 17 -2.205 -0.132 8.284 145 HA THR 17 HA THR 17 -3.798 -0.864 5.873 146 HB THR 17 HB THR 17 -5.694 -1.567 7.137 147 HG1 THR 17 HG1 THR 17 -5.453 0.316 8.516 148 1HG2 THR 17 HG21 THR 17 -3.613 -3.101 7.488 149 2HG2 THR 17 HG23 THR 17 -3.482 -2.327 9.063 150 3HG2 THR 17 HG22 THR 17 -4.924 -3.251 8.653 151 H THR 18 HN THR 18 -5.108 0.744 5.107 152 HA THR 18 HA THR 18 -5.265 3.267 6.712 153 HB THR 18 HB THR 18 -3.508 3.244 4.743 154 HG1 THR 18 HG1 THR 18 -4.133 5.112 5.783 155 1HG2 THR 18 HG23 THR 18 -5.510 2.385 3.178 156 2HG2 THR 18 HG22 THR 18 -5.921 4.096 3.164 157 3HG2 THR 18 HG21 THR 18 -4.350 3.563 2.574 158 H GLU 19 HN GLU 19 -7.124 4.503 6.412 159 HA GLU 19 HA GLU 19 -9.439 2.996 5.400 160 1HB GLU 19 HB2 GLU 19 -9.330 5.771 6.609 161 2HB GLU 19 HB1 GLU 19 -10.770 4.783 6.386 162 1HG GLU 19 HG2 GLU 19 -9.706 3.033 7.867 163 2HG GLU 19 HG1 GLU 19 -8.409 4.179 8.197 164 H ALA 20 HN ALA 20 -10.187 3.194 3.389 165 HA ALA 20 HA ALA 20 -9.886 5.801 1.984 166 1HB ALA 20 HB3 ALA 20 -8.479 3.349 1.346 167 2HB ALA 20 HB2 ALA 20 -9.500 3.853 0.002 168 3HB ALA 20 HB1 ALA 20 -8.286 4.952 0.646 169 H VAL 21 HN VAL 21 -11.636 6.350 0.790 170 HA VAL 21 HA VAL 21 -14.019 4.684 1.013 171 HB VAL 21 HB VAL 21 -13.952 7.237 1.070 172 1HG1 VAL 21 HG12 VAL 21 -12.469 7.248 -1.056 173 2HG1 VAL 21 HG11 VAL 21 -13.967 6.974 -1.942 174 3HG1 VAL 21 HG13 VAL 21 -13.769 8.432 -0.974 175 1HG2 VAL 21 HG22 VAL 21 -15.821 5.471 -0.416 176 2HG2 VAL 21 HG21 VAL 21 -16.144 6.577 0.916 177 3HG2 VAL 21 HG23 VAL 21 -15.999 7.196 -0.726 178 H ASP 22 HN ASP 22 -11.592 5.296 -1.391 179 HA ASP 22 HA ASP 22 -12.915 3.299 -3.162 180 1HB ASP 22 HB2 ASP 22 -12.484 4.671 -5.141 181 2HB ASP 22 HB1 ASP 22 -13.476 5.577 -4.001 182 H ALA 23 HN ALA 23 -11.364 2.570 -4.913 183 HA ALA 23 HA ALA 23 -8.868 1.789 -3.651 184 1HB ALA 23 HB1 ALA 23 -10.230 1.254 -6.248 185 2HB ALA 23 HB3 ALA 23 -8.495 0.972 -6.167 186 3HB ALA 23 HB2 ALA 23 -9.577 0.118 -5.072 187 H ALA 24 HN ALA 24 -9.806 4.119 -6.107 188 HA ALA 24 HA ALA 24 -7.240 4.776 -7.113 189 1HB ALA 24 HB2 ALA 24 -9.875 5.816 -7.310 190 2HB ALA 24 HB1 ALA 24 -8.821 7.159 -6.880 191 3HB ALA 24 HB3 ALA 24 -8.487 6.204 -8.321 192 H THR 25 HN THR 25 -9.048 6.424 -4.521 193 HA THR 25 HA THR 25 -6.892 8.130 -3.755 194 HB THR 25 HB THR 25 -9.429 8.235 -3.061 195 HG1 THR 25 HG1 THR 25 -7.131 8.681 -1.454 196 1HG2 THR 25 HG23 THR 25 -9.049 5.913 -1.799 197 2HG2 THR 25 HG22 THR 25 -8.342 6.954 -0.566 198 3HG2 THR 25 HG21 THR 25 -10.021 7.173 -1.046 199 H ALA 26 HN ALA 26 -7.644 4.817 -2.977 200 HA ALA 26 HA ALA 26 -5.931 4.589 -0.674 201 1HB ALA 26 HB2 ALA 26 -7.668 2.913 -1.211 202 2HB ALA 26 HB1 ALA 26 -6.766 2.448 -2.649 203 3HB ALA 26 HB3 ALA 26 -6.084 2.161 -1.052 204 H GLU 27 HN GLU 27 -5.398 4.361 -4.130 205 HA GLU 27 HA GLU 27 -2.776 3.211 -4.032 206 1HB GLU 27 HB2 GLU 27 -4.171 4.963 -6.061 207 2HB GLU 27 HB1 GLU 27 -2.556 4.323 -6.316 208 1HG GLU 27 HG2 GLU 27 -3.456 2.016 -5.940 209 2HG GLU 27 HG1 GLU 27 -5.072 2.703 -5.827 210 H LYS 28 HN LYS 28 -3.911 6.567 -4.126 211 HA LYS 28 HA LYS 28 -1.208 7.650 -4.012 212 1HB LYS 28 HB2 LYS 28 -3.883 8.988 -3.548 213 2HB LYS 28 HB1 LYS 28 -2.346 9.824 -3.744 214 1HG LYS 28 HG2 LYS 28 -2.478 9.652 -5.994 215 2HG LYS 28 HG1 LYS 28 -2.719 7.911 -5.888 216 1HD LYS 28 HD2 LYS 28 -4.664 8.974 -6.963 217 2HD LYS 28 HD1 LYS 28 -5.129 8.287 -5.412 218 1HE LYS 28 HE2 LYS 28 -4.159 10.996 -5.060 219 2HE LYS 28 HE1 LYS 28 -5.457 10.963 -6.248 220 1HZ LYS 28 HZ1 LYS 28 -6.801 9.712 -4.652 221 2HZ LYS 28 HZ3 LYS 28 -5.558 9.845 -3.502 222 3HZ LYS 28 HZ2 LYS 28 -6.355 11.239 -4.058 223 H VAL 29 HN VAL 29 -3.818 7.111 -1.696 224 HA VAL 29 HA VAL 29 -2.716 8.494 0.517 225 HB VAL 29 HB VAL 29 -4.403 5.985 0.411 226 1HG1 VAL 29 HG11 VAL 29 -3.456 7.682 2.730 227 2HG1 VAL 29 HG13 VAL 29 -4.929 6.724 2.831 228 3HG1 VAL 29 HG12 VAL 29 -3.381 5.930 2.563 229 1HG2 VAL 29 HG21 VAL 29 -5.041 8.550 -0.293 230 2HG2 VAL 29 HG23 VAL 29 -6.205 7.396 0.348 231 3HG2 VAL 29 HG22 VAL 29 -5.444 8.568 1.421 232 H PHE 30 HN PHE 30 -2.493 4.997 -0.147 233 HA PHE 30 HA PHE 30 -0.552 4.459 1.855 234 1HB PHE 30 HB2 PHE 30 -1.400 3.084 -0.667 235 2HB PHE 30 HB1 PHE 30 0.064 2.531 0.134 236 HD1 PHE 30 HD1 PHE 30 -0.288 2.412 2.873 237 HD2 PHE 30 HD2 PHE 30 -3.337 1.925 -0.067 238 HE1 PHE 30 HE1 PHE 30 -1.661 1.174 4.490 239 HE2 PHE 30 HE2 PHE 30 -4.684 0.676 1.554 240 HZ PHE 30 HZ PHE 30 -3.843 0.270 3.823 241 H LYS 31 HN LYS 31 -0.182 5.359 -1.544 242 HA LYS 31 HA LYS 31 2.622 5.114 -1.750 243 1HB LYS 31 HB2 LYS 31 1.158 5.619 -3.670 244 2HB LYS 31 HB1 LYS 31 0.843 7.217 -3.003 245 1HG LYS 31 HG2 LYS 31 3.708 6.599 -3.196 246 2HG LYS 31 HG1 LYS 31 2.896 6.601 -4.757 247 1HD LYS 31 HD2 LYS 31 2.106 8.841 -4.451 248 2HD LYS 31 HD1 LYS 31 2.525 8.831 -2.741 249 1HE LYS 31 HE2 LYS 31 4.877 8.836 -3.227 250 2HE LYS 31 HE1 LYS 31 4.592 8.498 -4.930 251 1HZ LYS 31 HZ2 LYS 31 3.173 10.801 -4.304 252 2HZ LYS 31 HZ1 LYS 31 4.721 10.986 -3.630 253 3HZ LYS 31 HZ3 LYS 31 4.551 10.660 -5.288 254 H GLN 32 HN GLN 32 0.653 7.625 -0.310 255 HA GLN 32 HA GLN 32 2.785 9.522 0.080 256 1HB GLN 32 HB2 GLN 32 0.327 10.049 0.215 257 2HB GLN 32 HB1 GLN 32 0.279 9.190 1.750 258 1HG GLN 32 HG2 GLN 32 2.482 10.937 1.952 259 2HG GLN 32 HG1 GLN 32 1.205 11.887 1.199 260 1HE2 GLN 32 HE22 GLN 32 0.249 10.187 4.824 261 2HE2 GLN 32 HE21 GLN 32 1.122 9.278 3.689 262 OH TYR 33 OH TYR 33 4.771 2.721 8.241 263 H TYR 33 HN TYR 33 1.672 6.713 1.800 264 HA TYR 33 HA TYR 33 3.166 7.273 4.232 265 1HB TYR 33 HB2 TYR 33 1.206 5.822 4.329 266 2HB TYR 33 HB1 TYR 33 1.944 4.710 3.182 267 HD1 TYR 33 HD1 TYR 33 4.005 3.443 3.839 268 HD2 TYR 33 HD2 TYR 33 1.839 5.784 6.653 269 HE1 TYR 33 HE1 TYR 33 5.139 2.285 5.675 270 HE2 TYR 33 HE2 TYR 33 2.972 4.623 8.491 271 HH TYR 33 HH TYR 33 4.211 2.778 9.019 272 H ALA 34 HN ALA 34 3.571 4.860 1.650 273 HA ALA 34 HA ALA 34 6.030 3.783 2.378 274 1HB ALA 34 HB2 ALA 34 4.540 4.090 -0.110 275 2HB ALA 34 HB1 ALA 34 6.281 4.095 -0.379 276 3HB ALA 34 HB3 ALA 34 5.521 2.736 0.444 277 H ASN 35 HN ASN 35 5.378 6.908 0.944 278 HA ASN 35 HA ASN 35 7.994 7.643 0.158 279 1HB ASN 35 HB2 ASN 35 6.001 8.999 -0.353 280 2HB ASN 35 HB1 ASN 35 5.835 9.404 1.353 281 1HD2 ASN 35 HD22 ASN 35 9.451 10.786 0.309 282 2HD2 ASN 35 HD21 ASN 35 9.122 9.139 0.557 283 H ASP 36 HN ASP 36 6.378 8.167 3.284 284 HA ASP 36 HA ASP 36 8.552 9.400 4.616 285 1HB ASP 36 HB2 ASP 36 6.158 7.841 5.492 286 2HB ASP 36 HB1 ASP 36 7.420 8.160 6.680 287 H ASN 37 HN ASN 37 8.330 6.292 3.375 288 HA ASN 37 HA ASN 37 10.523 5.313 5.170 289 1HB ASN 37 HB2 ASN 37 8.342 3.820 3.709 290 2HB ASN 37 HB1 ASN 37 9.757 3.013 4.378 291 1HD2 ASN 37 HD22 ASN 37 6.971 4.625 6.933 292 2HD2 ASN 37 HD21 ASN 37 7.038 5.160 5.324 293 H GLY 38 HN GLY 38 9.590 6.109 1.977 294 1HA GLY 38 HA2 GLY 38 11.000 6.332 0.085 295 2HA GLY 38 HA1 GLY 38 12.307 5.606 1.016 296 H VAL 39 HN VAL 39 9.117 4.655 -0.263 297 HA VAL 39 HA VAL 39 10.401 2.238 -1.448 298 HB VAL 39 HB VAL 39 7.785 2.154 0.077 299 1HG1 VAL 39 HG12 VAL 39 8.071 0.469 -1.722 300 2HG1 VAL 39 HG11 VAL 39 9.613 -0.012 -1.021 301 3HG1 VAL 39 HG13 VAL 39 8.117 -0.289 -0.133 302 1HG2 VAL 39 HG21 VAL 39 10.633 1.703 0.915 303 2HG2 VAL 39 HG23 VAL 39 9.306 2.418 1.825 304 3HG2 VAL 39 HG22 VAL 39 9.379 0.673 1.600 305 H ASP 40 HN ASP 40 10.120 3.812 -3.295 306 HA ASP 40 HA ASP 40 7.333 3.686 -4.392 307 1HB ASP 40 HB2 ASP 40 9.401 5.537 -5.508 308 2HB ASP 40 HB1 ASP 40 7.654 5.746 -5.406 309 H GLY 41 HN GLY 41 7.033 2.400 -6.097 310 1HA GLY 41 HA2 GLY 41 8.868 2.176 -8.288 311 2HA GLY 41 HA1 GLY 41 9.053 0.777 -7.233 312 H GLU 42 HN GLU 42 7.624 -0.858 -7.410 313 HA GLU 42 HA GLU 42 5.444 -0.538 -9.412 314 1HB GLU 42 HB2 GLU 42 6.861 -2.902 -8.220 315 2HB GLU 42 HB1 GLU 42 5.363 -3.099 -9.115 316 1HG GLU 42 HG2 GLU 42 7.505 -1.430 -10.371 317 2HG GLU 42 HG1 GLU 42 7.748 -3.175 -10.344 318 CH2 TRP 43 CH2 TRP 43 2.126 2.546 -2.169 319 H TRP 43 HN TRP 43 3.317 -0.822 -8.882 320 HA TRP 43 HA TRP 43 2.716 -1.328 -5.990 321 1HB TRP 43 HB2 TRP 43 1.667 0.741 -7.892 322 2HB TRP 43 HB1 TRP 43 0.708 0.238 -6.509 323 HD1 TRP 43 HD1 TRP 43 4.280 1.496 -7.304 324 HE1 TRP 43 HE1 TRP 43 5.022 2.851 -5.285 325 HE3 TRP 43 HE3 TRP 43 0.363 0.692 -4.343 326 HZ2 TRP 43 HZ2 TRP 43 4.029 3.430 -2.552 327 HZ3 TRP 43 HZ3 TRP 43 0.243 1.551 -2.059 328 HH2 TRP 43 HH2 TRP 43 2.070 2.921 -1.157 329 H THR 44 HN THR 44 1.196 -2.791 -5.546 330 HA THR 44 HA THR 44 -0.438 -3.860 -7.820 331 HB THR 44 HB THR 44 -0.262 -6.101 -6.530 332 HG1 THR 44 HG1 THR 44 0.507 -4.910 -4.649 333 1HG2 THR 44 HG21 THR 44 2.286 -4.808 -7.585 334 2HG2 THR 44 HG23 THR 44 2.083 -6.533 -7.298 335 3HG2 THR 44 HG22 THR 44 1.140 -5.732 -8.551 336 OH TYR 45 OH TYR 45 -8.891 -1.357 -2.971 337 H TYR 45 HN TYR 45 -2.438 -4.896 -7.168 338 HA TYR 45 HA TYR 45 -3.550 -3.916 -4.567 339 1HB TYR 45 HB2 TYR 45 -4.138 -2.516 -6.677 340 2HB TYR 45 HB1 TYR 45 -5.134 -3.894 -7.149 341 HD1 TYR 45 HD1 TYR 45 -6.562 -4.765 -4.780 342 HD2 TYR 45 HD2 TYR 45 -5.430 -0.810 -5.814 343 HE1 TYR 45 HE1 TYR 45 -8.318 -3.891 -3.336 344 HE2 TYR 45 HE2 TYR 45 -7.228 0.065 -4.412 345 HH TYR 45 HH TYR 45 -9.554 -2.044 -2.866 346 H ASP 46 HN ASP 46 -4.489 -5.539 -3.467 347 HA ASP 46 HA ASP 46 -5.108 -8.068 -4.935 348 1HB ASP 46 HB2 ASP 46 -3.495 -7.935 -2.886 349 2HB ASP 46 HB1 ASP 46 -4.978 -7.835 -1.939 350 H ASP 47 HN ASP 47 -7.103 -6.764 -5.610 351 HA ASP 47 HA ASP 47 -9.156 -6.122 -3.737 352 1HB ASP 47 HB2 ASP 47 -9.064 -5.438 -6.173 353 2HB ASP 47 HB1 ASP 47 -9.581 -7.071 -6.580 354 H ALA 48 HN ALA 48 -7.810 -9.056 -4.309 355 HA ALA 48 HA ALA 48 -10.255 -10.674 -4.199 356 1HB ALA 48 HB2 ALA 48 -7.902 -11.246 -5.262 357 2HB ALA 48 HB1 ALA 48 -7.536 -11.794 -3.630 358 3HB ALA 48 HB3 ALA 48 -8.873 -12.515 -4.522 359 H THR 49 HN THR 49 -8.248 -9.079 -1.971 360 HA THR 49 HA THR 49 -9.719 -10.325 0.266 361 HB THR 49 HB THR 49 -7.547 -10.796 1.511 362 HG1 THR 49 HG1 THR 49 -5.740 -10.330 0.452 363 1HG2 THR 49 HG23 THR 49 -8.758 -12.577 0.041 364 2HG2 THR 49 HG22 THR 49 -7.537 -12.207 -1.173 365 3HG2 THR 49 HG21 THR 49 -7.055 -12.858 0.390 366 H LYS 50 HN LYS 50 -9.095 -7.634 -1.143 367 HA LYS 50 HA LYS 50 -8.826 -5.399 -0.479 368 1HB LYS 50 HB2 LYS 50 -9.704 -6.514 2.198 369 2HB LYS 50 HB1 LYS 50 -9.769 -4.824 1.708 370 1HG LYS 50 HG2 LYS 50 -11.417 -5.283 0.019 371 2HG LYS 50 HG1 LYS 50 -11.189 -7.021 0.175 372 1HD LYS 50 HD2 LYS 50 -12.095 -6.974 2.450 373 2HD LYS 50 HD1 LYS 50 -12.226 -5.219 2.390 374 1HE LYS 50 HE2 LYS 50 -14.415 -6.089 1.897 375 2HE LYS 50 HE1 LYS 50 -13.750 -5.511 0.374 376 1HZ LYS 50 HZ3 LYS 50 -12.977 -7.859 0.013 377 2HZ LYS 50 HZ2 LYS 50 -13.962 -8.303 1.324 378 3HZ LYS 50 HZ1 LYS 50 -14.656 -7.608 -0.063 379 H THR 51 HN THR 51 -6.463 -6.386 -0.717 380 HA THR 51 HA THR 51 -4.964 -5.410 1.674 381 HB THR 51 HB THR 51 -4.734 -8.139 0.369 382 HG1 THR 51 HG1 THR 51 -5.014 -6.911 2.897 383 1HG2 THR 51 HG22 THR 51 -2.650 -6.716 2.067 384 2HG2 THR 51 HG21 THR 51 -2.643 -8.429 1.697 385 3HG2 THR 51 HG23 THR 51 -2.409 -7.253 0.413 386 H PHE 52 HN PHE 52 -3.690 -3.766 0.910 387 HA PHE 52 HA PHE 52 -3.028 -3.618 -1.930 388 1HB PHE 52 HB2 PHE 52 -3.003 -1.834 0.346 389 2HB PHE 52 HB1 PHE 52 -1.500 -1.726 -0.561 390 HD1 PHE 52 HD1 PHE 52 -1.541 -1.109 -2.986 391 HD2 PHE 52 HD2 PHE 52 -5.082 -1.168 -0.658 392 HE1 PHE 52 HE1 PHE 52 -2.733 0.142 -4.741 393 HE2 PHE 52 HE2 PHE 52 -6.223 0.196 -2.322 394 HZ PHE 52 HZ PHE 52 -5.037 0.895 -4.349 395 H THR 53 HN THR 53 -0.723 -3.312 -2.614 396 HA THR 53 HA THR 53 1.344 -4.357 -0.831 397 HB THR 53 HB THR 53 0.413 -6.002 -3.212 398 HG1 THR 53 HG1 THR 53 0.542 -7.437 -1.153 399 1HG2 THR 53 HG22 THR 53 3.005 -5.823 -1.837 400 2HG2 THR 53 HG21 THR 53 2.282 -7.422 -1.699 401 3HG2 THR 53 HG23 THR 53 2.589 -6.729 -3.288 402 H VAL 54 HN VAL 54 3.293 -3.583 -1.402 403 HA VAL 54 HA VAL 54 3.663 -2.595 -4.197 404 HB VAL 54 HB VAL 54 3.015 -0.706 -2.648 405 1HG1 VAL 54 HG13 VAL 54 4.200 -1.752 -0.675 406 2HG1 VAL 54 HG12 VAL 54 5.719 -1.223 -1.391 407 3HG1 VAL 54 HG11 VAL 54 4.513 -0.039 -0.902 408 1HG2 VAL 54 HG22 VAL 54 5.777 -0.743 -3.888 409 2HG2 VAL 54 HG21 VAL 54 4.296 -0.103 -4.576 410 3HG2 VAL 54 HG23 VAL 54 5.057 0.713 -3.221 411 H THR 55 HN THR 55 5.837 -2.601 -4.880 412 HA THR 55 HA THR 55 7.840 -3.775 -3.020 413 HB THR 55 HB THR 55 7.195 -4.985 -5.746 414 HG1 THR 55 HG1 THR 55 5.985 -5.173 -3.478 415 1HG2 THR 55 HG23 THR 55 9.404 -5.306 -3.779 416 2HG2 THR 55 HG22 THR 55 8.633 -6.806 -4.283 417 3HG2 THR 55 HG21 THR 55 9.360 -5.745 -5.481 418 H GLU 56 HN GLU 56 9.623 -2.540 -3.178 419 HA GLU 56 HA GLU 56 9.990 -0.587 -5.257 420 1HB GLU 56 HB2 GLU 56 11.138 -1.098 -2.777 421 2HB GLU 56 HB1 GLU 56 12.459 -1.360 -3.904 422 1HG GLU 56 HG2 GLU 56 11.818 0.864 -4.979 423 2HG GLU 56 HG1 GLU 56 10.744 1.124 -3.606 Start of MODEL 10 Raw file had 423 H/Q atoms Entry Start of MODEL 10 1 1H MET 1 HT3 MET 1 -13.298 0.972 4.960 2 2H MET 1 HT2 MET 1 -14.536 1.448 3.899 3 3H MET 1 HT1 MET 1 -14.496 -0.140 4.501 4 HA MET 1 HA MET 1 -13.304 -0.783 2.777 5 1HB MET 1 HB2 MET 1 -13.131 2.152 2.041 6 2HB MET 1 HB1 MET 1 -12.752 0.805 0.975 7 1HG MET 1 HG2 MET 1 -14.910 0.490 0.486 8 2HG MET 1 HG1 MET 1 -15.330 0.393 2.175 9 1HE MET 1 HE2 MET 1 -15.047 2.325 -0.985 10 2HE MET 1 HE1 MET 1 -16.691 1.720 -0.778 11 3HE MET 1 HE3 MET 1 -16.393 3.458 -0.848 12 H THR 2 HN THR 2 -11.836 -0.958 4.866 13 HA THR 2 HA THR 2 -9.324 0.590 4.484 14 HB THR 2 HB THR 2 -9.775 -1.398 6.722 15 HG1 THR 2 HG1 THR 2 -11.116 0.033 7.623 16 1HG2 THR 2 HG23 THR 2 -7.612 0.094 6.230 17 2HG2 THR 2 HG22 THR 2 -8.607 1.367 6.929 18 3HG2 THR 2 HG21 THR 2 -8.219 -0.067 7.875 19 OH TYR 3 OH TYR 3 -11.556 0.238 -1.015 20 H TYR 3 HN TYR 3 -7.770 -0.280 3.275 21 HA TYR 3 HA TYR 3 -7.752 -3.241 2.884 22 1HB TYR 3 HB2 TYR 3 -6.095 -1.272 1.327 23 2HB TYR 3 HB1 TYR 3 -6.614 -2.880 0.848 24 HD1 TYR 3 HD1 TYR 3 -7.912 0.525 1.660 25 HD2 TYR 3 HD2 TYR 3 -8.653 -3.163 -0.320 26 HE1 TYR 3 HE1 TYR 3 -9.919 1.483 0.626 27 HE2 TYR 3 HE2 TYR 3 -10.657 -2.208 -1.356 28 HH TYR 3 HH TYR 3 -11.533 1.189 -0.886 29 H LYS 4 HN LYS 4 -5.639 -4.312 2.853 30 HA LYS 4 HA LYS 4 -3.854 -3.161 4.957 31 1HB LYS 4 HB2 LYS 4 -5.073 -5.543 4.994 32 2HB LYS 4 HB1 LYS 4 -3.656 -6.006 4.066 33 1HG LYS 4 HG2 LYS 4 -2.397 -4.648 5.998 34 2HG LYS 4 HG1 LYS 4 -3.838 -5.094 6.906 35 1HD LYS 4 HD2 LYS 4 -3.411 -7.483 5.918 36 2HD LYS 4 HD1 LYS 4 -1.780 -6.887 5.636 37 1HE LYS 4 HE2 LYS 4 -1.852 -6.116 8.113 38 2HE LYS 4 HE1 LYS 4 -3.236 -7.191 8.263 39 1HZ LYS 4 HZ2 LYS 4 -1.111 -8.484 6.914 40 2HZ LYS 4 HZ1 LYS 4 -0.577 -7.875 8.407 41 3HZ LYS 4 HZ3 LYS 4 -1.905 -8.932 8.346 42 H LEU 5 HN LEU 5 -1.905 -2.437 4.320 43 HA LEU 5 HA LEU 5 -0.995 -3.082 1.585 44 1HB LEU 5 HB2 LEU 5 -0.850 -0.749 2.173 45 2HB LEU 5 HB1 LEU 5 -0.054 -1.109 3.694 46 HG LEU 5 HG LEU 5 1.943 -1.974 2.349 47 1HD1 LEU 5 HD13 LEU 5 0.391 -0.705 0.070 48 2HD1 LEU 5 HD12 LEU 5 2.051 -1.275 -0.028 49 3HD1 LEU 5 HD11 LEU 5 0.744 -2.421 0.225 50 1HD2 LEU 5 HD21 LEU 5 1.692 0.383 3.288 51 2HD2 LEU 5 HD23 LEU 5 2.825 0.204 1.952 52 3HD2 LEU 5 HD22 LEU 5 1.225 0.873 1.665 53 H ILE 6 HN ILE 6 1.075 -3.929 1.150 54 HA ILE 6 HA ILE 6 2.514 -5.183 3.400 55 HB ILE 6 HB ILE 6 1.985 -6.542 0.747 56 1HG1 ILE 6 HG12 ILE 6 0.645 -6.782 3.455 57 2HG1 ILE 6 HG11 ILE 6 -0.119 -6.462 1.903 58 1HG2 ILE 6 HG21 ILE 6 4.097 -7.093 2.125 59 2HG2 ILE 6 HG23 ILE 6 2.999 -7.750 3.332 60 3HG2 ILE 6 HG22 ILE 6 3.055 -8.447 1.716 61 1HD1 ILE 6 HD1 ILE 6 0.799 -8.764 1.174 62 2HD1 ILE 6 HD3 ILE 6 1.099 -9.052 2.885 63 3HD1 ILE 6 HD2 ILE 6 -0.539 -8.769 2.316 64 H LEU 7 HN LEU 7 4.326 -3.975 3.400 65 HA LEU 7 HA LEU 7 5.463 -2.926 0.930 66 1HB LEU 7 HB2 LEU 7 6.491 -2.893 3.767 67 2HB LEU 7 HB1 LEU 7 7.229 -2.025 2.428 68 HG LEU 7 HG LEU 7 4.348 -1.546 2.596 69 1HD1 LEU 7 HD13 LEU 7 6.125 -0.821 4.950 70 2HD1 LEU 7 HD12 LEU 7 4.548 -0.098 4.649 71 3HD1 LEU 7 HD11 LEU 7 4.676 -1.821 4.995 72 1HD2 LEU 7 HD22 LEU 7 6.015 -0.236 1.267 73 2HD2 LEU 7 HD21 LEU 7 5.107 0.777 2.386 74 3HD2 LEU 7 HD23 LEU 7 6.757 0.297 2.773 75 H ASN 8 HN ASN 8 6.733 -4.011 -0.392 76 HA ASN 8 HA ASN 8 8.336 -6.277 0.709 77 1HB ASN 8 HB2 ASN 8 6.731 -5.901 -1.681 78 2HB ASN 8 HB1 ASN 8 8.360 -6.389 -2.098 79 1HD2 ASN 8 HD22 ASN 8 5.924 -9.209 -1.011 80 2HD2 ASN 8 HD21 ASN 8 5.533 -7.765 -1.800 81 H GLY 9 HN GLY 9 9.181 -3.624 1.062 82 1HA GLY 9 HA2 GLY 9 10.878 -2.512 -0.862 83 2HA GLY 9 HA1 GLY 9 11.179 -2.395 0.866 84 H LYS 10 HN LYS 10 13.059 -2.729 -1.363 85 HA LYS 10 HA LYS 10 14.081 -5.354 -1.604 86 1HB LYS 10 HB2 LYS 10 15.006 -2.646 -2.109 87 2HB LYS 10 HB1 LYS 10 16.319 -3.683 -1.572 88 1HG LYS 10 HG2 LYS 10 15.826 -5.306 -3.313 89 2HG LYS 10 HG1 LYS 10 14.378 -4.430 -3.786 90 1HD LYS 10 HD2 LYS 10 17.201 -3.297 -3.922 91 2HD LYS 10 HD1 LYS 10 16.339 -3.975 -5.296 92 1HE LYS 10 HE2 LYS 10 15.679 -1.801 -5.612 93 2HE LYS 10 HE1 LYS 10 14.472 -2.202 -4.400 94 1HZ LYS 10 HZ3 LYS 10 17.111 -1.233 -3.547 95 2HZ LYS 10 HZ2 LYS 10 15.951 -0.125 -4.107 96 3HZ LYS 10 HZ1 LYS 10 15.610 -1.104 -2.763 97 H THR 11 HN THR 11 15.317 -2.792 0.522 98 HA THR 11 HA THR 11 16.433 -4.893 2.310 99 HB THR 11 HB THR 11 17.628 -2.785 3.294 100 HG1 THR 11 HG1 THR 11 17.064 -1.002 2.305 101 1HG2 THR 11 HG23 THR 11 18.139 -4.277 0.830 102 2HG2 THR 11 HG22 THR 11 18.728 -2.622 0.711 103 3HG2 THR 11 HG21 THR 11 19.302 -3.669 2.005 104 H LEU 12 HN LEU 12 13.590 -3.550 2.051 105 HA LEU 12 HA LEU 12 13.209 -3.417 4.994 106 1HB LEU 12 HB2 LEU 12 13.584 -1.076 3.971 107 2HB LEU 12 HB1 LEU 12 12.000 -1.288 3.234 108 HG LEU 12 HG LEU 12 11.470 -2.048 5.808 109 1HD1 LEU 12 HD12 LEU 12 13.812 -1.416 6.460 110 2HD1 LEU 12 HD11 LEU 12 13.462 0.238 5.970 111 3HD1 LEU 12 HD13 LEU 12 12.587 -0.485 7.316 112 1HD2 LEU 12 HD22 LEU 12 11.406 0.714 4.551 113 2HD2 LEU 12 HD21 LEU 12 10.106 -0.474 4.570 114 3HD2 LEU 12 HD23 LEU 12 10.594 0.321 6.064 115 H LYS 13 HN LYS 13 11.158 -4.005 5.671 116 HA LYS 13 HA LYS 13 9.061 -4.496 3.649 117 1HB LYS 13 HB2 LYS 13 10.262 -6.714 5.331 118 2HB LYS 13 HB1 LYS 13 8.784 -6.866 4.388 119 1HG LYS 13 HG2 LYS 13 10.172 -6.115 2.363 120 2HG LYS 13 HG1 LYS 13 11.593 -6.367 3.368 121 1HD LYS 13 HD2 LYS 13 10.085 -8.692 3.745 122 2HD LYS 13 HD1 LYS 13 9.911 -8.342 2.028 123 1HE LYS 13 HE2 LYS 13 12.374 -8.144 1.827 124 2HE LYS 13 HE1 LYS 13 12.540 -8.509 3.539 125 1HZ LYS 13 HZ2 LYS 13 11.101 -10.352 1.751 126 2HZ LYS 13 HZ1 LYS 13 12.797 -10.390 1.847 127 3HZ LYS 13 HZ3 LYS 13 11.861 -10.675 3.236 128 H GLY 14 HN GLY 14 7.010 -4.456 4.527 129 1HA GLY 14 HA2 GLY 14 6.550 -4.759 7.381 130 2HA GLY 14 HA1 GLY 14 6.497 -3.072 6.880 131 H GLU 15 HN GLU 15 4.256 -3.088 7.521 132 HA GLU 15 HA GLU 15 2.447 -3.503 5.343 133 1HB GLU 15 HB2 GLU 15 1.055 -5.306 6.361 134 2HB GLU 15 HB1 GLU 15 2.656 -5.874 5.908 135 1HG GLU 15 HG2 GLU 15 2.892 -6.593 8.045 136 2HG GLU 15 HG1 GLU 15 2.970 -4.901 8.525 137 H THR 16 HN THR 16 0.770 -2.143 5.647 138 HA THR 16 HA THR 16 -0.147 -1.569 8.403 139 HB THR 16 HB THR 16 1.431 0.211 8.235 140 HG1 THR 16 HG1 THR 16 -0.341 1.836 7.195 141 1HG2 THR 16 HG22 THR 16 0.453 0.442 5.371 142 2HG2 THR 16 HG21 THR 16 1.398 1.700 6.156 143 3HG2 THR 16 HG23 THR 16 2.096 0.104 5.899 144 H THR 17 HN THR 17 -2.248 -0.719 8.510 145 HA THR 17 HA THR 17 -3.804 -1.052 5.983 146 HB THR 17 HB THR 17 -5.662 -1.692 7.336 147 HG1 THR 17 HG1 THR 17 -4.975 -1.146 9.770 148 1HG2 THR 17 HG23 THR 17 -3.280 -3.013 7.815 149 2HG2 THR 17 HG22 THR 17 -3.728 -2.490 9.434 150 3HG2 THR 17 HG21 THR 17 -4.826 -3.500 8.499 151 H THR 18 HN THR 18 -5.088 0.563 5.198 152 HA THR 18 HA THR 18 -5.205 3.118 6.752 153 HB THR 18 HB THR 18 -3.453 3.033 4.780 154 HG1 THR 18 HG1 THR 18 -3.762 5.060 5.303 155 1HG2 THR 18 HG22 THR 18 -5.457 2.166 3.233 156 2HG2 THR 18 HG21 THR 18 -5.865 3.877 3.194 157 3HG2 THR 18 HG23 THR 18 -4.298 3.332 2.606 158 H GLU 19 HN GLU 19 -7.066 4.343 6.459 159 HA GLU 19 HA GLU 19 -9.334 2.852 5.261 160 1HB GLU 19 HB2 GLU 19 -9.614 3.675 7.557 161 2HB GLU 19 HB1 GLU 19 -9.282 5.317 7.022 162 1HG GLU 19 HG2 GLU 19 -11.461 3.799 5.631 163 2HG GLU 19 HG1 GLU 19 -11.789 4.432 7.242 164 H ALA 20 HN ALA 20 -10.279 3.473 3.408 165 HA ALA 20 HA ALA 20 -9.811 6.243 2.414 166 1HB ALA 20 HB2 ALA 20 -8.886 3.706 1.190 167 2HB ALA 20 HB1 ALA 20 -9.616 4.871 0.090 168 3HB ALA 20 HB3 ALA 20 -8.215 5.328 1.054 169 H VAL 21 HN VAL 21 -11.194 6.641 0.411 170 HA VAL 21 HA VAL 21 -13.897 5.524 0.958 171 HB VAL 21 HB VAL 21 -13.887 7.910 0.983 172 1HG1 VAL 21 HG11 VAL 21 -12.327 7.660 -1.608 173 2HG1 VAL 21 HG13 VAL 21 -12.989 9.180 -1.014 174 3HG1 VAL 21 HG12 VAL 21 -11.754 8.335 -0.085 175 1HG2 VAL 21 HG22 VAL 21 -15.639 6.645 -0.472 176 2HG2 VAL 21 HG21 VAL 21 -15.502 8.389 -0.678 177 3HG2 VAL 21 HG23 VAL 21 -14.754 7.303 -1.845 178 H ASP 22 HN ASP 22 -11.329 5.202 -1.214 179 HA ASP 22 HA ASP 22 -12.914 3.434 -2.922 180 1HB ASP 22 HB2 ASP 22 -12.687 4.622 -4.978 181 2HB ASP 22 HB1 ASP 22 -13.273 5.808 -3.815 182 H ALA 23 HN ALA 23 -11.420 2.723 -4.860 183 HA ALA 23 HA ALA 23 -8.974 1.712 -3.627 184 1HB ALA 23 HB3 ALA 23 -10.511 1.220 -6.104 185 2HB ALA 23 HB2 ALA 23 -8.773 0.968 -6.236 186 3HB ALA 23 HB1 ALA 23 -9.704 0.076 -5.036 187 H ALA 24 HN ALA 24 -9.783 4.061 -6.134 188 HA ALA 24 HA ALA 24 -7.149 4.533 -7.095 189 1HB ALA 24 HB1 ALA 24 -9.531 5.470 -7.839 190 2HB ALA 24 HB3 ALA 24 -9.038 6.833 -6.841 191 3HB ALA 24 HB2 ALA 24 -8.050 6.345 -8.213 192 H THR 25 HN THR 25 -8.961 6.411 -4.656 193 HA THR 25 HA THR 25 -6.742 8.017 -3.882 194 HB THR 25 HB THR 25 -9.195 8.402 -3.211 195 HG1 THR 25 HG1 THR 25 -8.166 8.764 -0.894 196 1HG2 THR 25 HG23 THR 25 -9.315 5.971 -2.201 197 2HG2 THR 25 HG22 THR 25 -8.444 6.680 -0.845 198 3HG2 THR 25 HG21 THR 25 -10.034 7.290 -1.285 199 H ALA 26 HN ALA 26 -7.682 4.761 -3.027 200 HA ALA 26 HA ALA 26 -6.134 4.415 -0.679 201 1HB ALA 26 HB3 ALA 26 -7.748 2.753 -1.870 202 2HB ALA 26 HB2 ALA 26 -6.321 2.267 -2.777 203 3HB ALA 26 HB1 ALA 26 -6.350 2.095 -1.026 204 H GLU 27 HN GLU 27 -5.236 4.145 -4.097 205 HA GLU 27 HA GLU 27 -2.541 3.311 -3.698 206 1HB GLU 27 HB2 GLU 27 -4.041 4.693 -5.883 207 2HB GLU 27 HB1 GLU 27 -2.285 4.746 -5.944 208 1HG GLU 27 HG2 GLU 27 -2.219 2.264 -5.755 209 2HG GLU 27 HG1 GLU 27 -3.978 2.235 -5.747 210 H LYS 28 HN LYS 28 -3.881 6.562 -4.163 211 HA LYS 28 HA LYS 28 -1.420 7.953 -3.730 212 1HB LYS 28 HB2 LYS 28 -2.912 9.414 -4.664 213 2HB LYS 28 HB1 LYS 28 -4.295 8.629 -3.920 214 1HG LYS 28 HG2 LYS 28 -3.931 9.778 -1.826 215 2HG LYS 28 HG1 LYS 28 -2.358 10.372 -2.360 216 1HD LYS 28 HD2 LYS 28 -3.306 11.935 -3.818 217 2HD LYS 28 HD1 LYS 28 -4.806 11.029 -3.974 218 1HE LYS 28 HE2 LYS 28 -5.419 11.599 -1.664 219 2HE LYS 28 HE1 LYS 28 -3.894 12.450 -1.451 220 1HZ LYS 28 HZ2 LYS 28 -5.973 13.164 -3.441 221 2HZ LYS 28 HZ1 LYS 28 -5.740 13.943 -1.950 222 3HZ LYS 28 HZ3 LYS 28 -4.532 14.012 -3.143 223 H VAL 29 HN VAL 29 -3.808 6.658 -1.549 224 HA VAL 29 HA VAL 29 -2.942 8.129 0.784 225 HB VAL 29 HB VAL 29 -4.432 5.505 0.511 226 1HG1 VAL 29 HG13 VAL 29 -3.777 7.235 2.911 227 2HG1 VAL 29 HG12 VAL 29 -5.106 6.081 2.915 228 3HG1 VAL 29 HG11 VAL 29 -3.452 5.517 2.701 229 1HG2 VAL 29 HG23 VAL 29 -5.222 8.103 -0.080 230 2HG2 VAL 29 HG22 VAL 29 -6.310 6.771 0.295 231 3HG2 VAL 29 HG21 VAL 29 -5.803 7.877 1.566 232 H PHE 30 HN PHE 30 -2.448 4.728 -0.164 233 HA PHE 30 HA PHE 30 -0.466 4.242 1.852 234 1HB PHE 30 HB2 PHE 30 -1.314 2.827 -0.655 235 2HB PHE 30 HB1 PHE 30 0.139 2.304 0.186 236 HD1 PHE 30 HD1 PHE 30 -0.250 2.197 2.911 237 HD2 PHE 30 HD2 PHE 30 -3.275 1.706 -0.054 238 HE1 PHE 30 HE1 PHE 30 -1.651 0.983 4.526 239 HE2 PHE 30 HE2 PHE 30 -4.645 0.487 1.565 240 HZ PHE 30 HZ PHE 30 -3.831 0.082 3.841 241 H LYS 31 HN LYS 31 -0.306 5.442 -1.444 242 HA LYS 31 HA LYS 31 2.532 5.155 -1.779 243 1HB LYS 31 HB2 LYS 31 0.943 5.611 -3.646 244 2HB LYS 31 HB1 LYS 31 0.709 7.237 -3.017 245 1HG LYS 31 HG2 LYS 31 3.125 7.694 -3.288 246 2HG LYS 31 HG1 LYS 31 3.370 6.061 -3.896 247 1HD LYS 31 HD2 LYS 31 1.464 6.762 -5.609 248 2HD LYS 31 HD1 LYS 31 2.003 8.388 -5.209 249 1HE LYS 31 HE2 LYS 31 3.321 7.701 -7.089 250 2HE LYS 31 HE1 LYS 31 4.379 7.584 -5.689 251 1HZ LYS 31 HZ2 LYS 31 2.814 5.249 -6.557 252 2HZ LYS 31 HZ1 LYS 31 4.270 5.641 -7.340 253 3HZ LYS 31 HZ3 LYS 31 4.265 5.302 -5.676 254 H GLN 32 HN GLN 32 0.514 7.699 -0.420 255 HA GLN 32 HA GLN 32 2.644 9.602 -0.048 256 1HB GLN 32 HB2 GLN 32 0.218 10.187 0.027 257 2HB GLN 32 HB1 GLN 32 0.079 9.306 1.545 258 1HG GLN 32 HG2 GLN 32 1.568 10.823 2.664 259 2HG GLN 32 HG1 GLN 32 2.075 11.554 1.143 260 1HE2 GLN 32 HE22 GLN 32 -1.860 12.364 1.703 261 2HE2 GLN 32 HE21 GLN 32 -1.307 10.779 1.451 262 OH TYR 33 OH TYR 33 4.733 2.822 8.090 263 H TYR 33 HN TYR 33 1.589 6.797 1.678 264 HA TYR 33 HA TYR 33 2.974 7.441 4.157 265 1HB TYR 33 HB2 TYR 33 1.094 5.916 4.244 266 2HB TYR 33 HB1 TYR 33 1.856 4.848 3.068 267 HD1 TYR 33 HD1 TYR 33 3.880 3.548 3.704 268 HD2 TYR 33 HD2 TYR 33 1.798 5.911 6.560 269 HE1 TYR 33 HE1 TYR 33 5.042 2.377 5.517 270 HE2 TYR 33 HE2 TYR 33 2.960 4.741 8.375 271 HH TYR 33 HH TYR 33 4.507 3.257 8.915 272 H ALA 34 HN ALA 34 3.565 5.061 1.586 273 HA ALA 34 HA ALA 34 6.060 4.108 2.430 274 1HB ALA 34 HB2 ALA 34 4.616 4.276 -0.116 275 2HB ALA 34 HB1 ALA 34 6.365 4.257 -0.307 276 3HB ALA 34 HB3 ALA 34 5.560 2.947 0.551 277 H ASN 35 HN ASN 35 5.299 7.073 0.688 278 HA ASN 35 HA ASN 35 7.874 7.921 -0.042 279 1HB ASN 35 HB2 ASN 35 5.870 9.167 -0.680 280 2HB ASN 35 HB1 ASN 35 5.574 9.594 1.004 281 1HD2 ASN 35 HD22 ASN 35 8.001 12.173 1.067 282 2HD2 ASN 35 HD21 ASN 35 6.943 11.215 1.985 283 H ASP 36 HN ASP 36 6.274 8.080 3.092 284 HA ASP 36 HA ASP 36 8.376 9.635 4.352 285 1HB ASP 36 HB2 ASP 36 5.939 8.180 5.248 286 2HB ASP 36 HB1 ASP 36 7.184 8.474 6.460 287 H ASN 37 HN ASN 37 8.914 6.953 2.922 288 HA ASN 37 HA ASN 37 10.759 5.932 5.023 289 1HB ASN 37 HB2 ASN 37 8.788 4.293 3.424 290 2HB ASN 37 HB1 ASN 37 10.197 3.577 4.200 291 1HD2 ASN 37 HD22 ASN 37 7.077 4.916 6.493 292 2HD2 ASN 37 HD21 ASN 37 7.182 5.365 4.859 293 H GLY 38 HN GLY 38 9.790 5.765 1.626 294 1HA GLY 38 HA2 GLY 38 11.580 6.500 -0.010 295 2HA GLY 38 HA1 GLY 38 12.684 5.474 0.897 296 H VAL 39 HN VAL 39 9.434 4.400 0.432 297 HA VAL 39 HA VAL 39 10.459 2.242 -1.338 298 HB VAL 39 HB VAL 39 7.814 2.454 0.123 299 1HG1 VAL 39 HG11 VAL 39 9.182 0.184 -1.363 300 2HG1 VAL 39 HG13 VAL 39 7.736 -0.003 -0.377 301 3HG1 VAL 39 HG12 VAL 39 7.687 0.987 -1.832 302 1HG2 VAL 39 HG21 VAL 39 10.447 1.904 1.078 303 2HG2 VAL 39 HG23 VAL 39 8.930 1.752 1.958 304 3HG2 VAL 39 HG22 VAL 39 9.568 0.379 1.061 305 H ASP 40 HN ASP 40 10.434 3.032 -3.398 306 HA ASP 40 HA ASP 40 7.753 3.715 -4.501 307 1HB ASP 40 HB2 ASP 40 10.281 5.337 -4.883 308 2HB ASP 40 HB1 ASP 40 8.822 5.548 -5.848 309 H GLY 41 HN GLY 41 7.398 2.204 -5.997 310 1HA GLY 41 HA2 GLY 41 9.209 1.873 -8.240 311 2HA GLY 41 HA1 GLY 41 9.230 0.468 -7.178 312 H GLU 42 HN GLU 42 7.684 -1.035 -7.454 313 HA GLU 42 HA GLU 42 5.519 -0.442 -9.412 314 1HB GLU 42 HB2 GLU 42 6.046 -3.163 -8.296 315 2HB GLU 42 HB1 GLU 42 5.469 -2.716 -9.896 316 1HG GLU 42 HG2 GLU 42 7.867 -1.530 -10.019 317 2HG GLU 42 HG1 GLU 42 8.267 -2.770 -8.833 318 CH2 TRP 43 CH2 TRP 43 2.045 2.565 -2.217 319 H TRP 43 HN TRP 43 3.348 -0.864 -8.928 320 HA TRP 43 HA TRP 43 2.741 -1.319 -6.026 321 1HB TRP 43 HB2 TRP 43 1.698 0.742 -7.942 322 2HB TRP 43 HB1 TRP 43 0.720 0.233 -6.576 323 HD1 TRP 43 HD1 TRP 43 4.279 1.539 -7.318 324 HE1 TRP 43 HE1 TRP 43 4.985 2.884 -5.284 325 HE3 TRP 43 HE3 TRP 43 0.335 0.676 -4.408 326 HZ2 TRP 43 HZ2 TRP 43 3.945 3.466 -2.574 327 HZ3 TRP 43 HZ3 TRP 43 0.168 1.555 -2.131 328 HH2 TRP 43 HH2 TRP 43 1.970 2.948 -1.211 329 H THR 44 HN THR 44 1.185 -2.770 -5.578 330 HA THR 44 HA THR 44 -0.430 -3.831 -7.875 331 HB THR 44 HB THR 44 -0.246 -6.094 -6.627 332 HG1 THR 44 HG1 THR 44 0.550 -4.806 -4.752 333 1HG2 THR 44 HG21 THR 44 1.596 -4.834 -8.417 334 2HG2 THR 44 HG23 THR 44 2.556 -5.598 -7.154 335 3HG2 THR 44 HG22 THR 44 1.432 -6.560 -8.108 336 OH TYR 45 OH TYR 45 -9.022 -1.558 -3.102 337 H TYR 45 HN TYR 45 -2.436 -4.846 -7.283 338 HA TYR 45 HA TYR 45 -3.575 -3.928 -4.667 339 1HB TYR 45 HB2 TYR 45 -4.194 -2.531 -6.767 340 2HB TYR 45 HB1 TYR 45 -5.140 -3.936 -7.263 341 HD1 TYR 45 HD1 TYR 45 -6.604 -4.879 -4.963 342 HD2 TYR 45 HD2 TYR 45 -5.527 -0.874 -5.877 343 HE1 TYR 45 HE1 TYR 45 -8.388 -4.068 -3.513 344 HE2 TYR 45 HE2 TYR 45 -7.354 -0.064 -4.469 345 HH TYR 45 HH TYR 45 -8.794 -0.677 -2.799 346 H ASP 46 HN ASP 46 -4.549 -5.550 -3.583 347 HA ASP 46 HA ASP 46 -5.105 -8.089 -5.064 348 1HB ASP 46 HB2 ASP 46 -3.477 -7.921 -3.011 349 2HB ASP 46 HB1 ASP 46 -4.965 -7.915 -2.070 350 H ASP 47 HN ASP 47 -7.167 -7.190 -5.782 351 HA ASP 47 HA ASP 47 -9.214 -6.412 -3.905 352 1HB ASP 47 HB2 ASP 47 -9.438 -5.711 -6.196 353 2HB ASP 47 HB1 ASP 47 -9.335 -7.372 -6.774 354 H ALA 48 HN ALA 48 -7.748 -9.306 -4.252 355 HA ALA 48 HA ALA 48 -10.078 -11.065 -4.131 356 1HB ALA 48 HB1 ALA 48 -7.599 -11.550 -4.926 357 2HB ALA 48 HB3 ALA 48 -7.364 -11.940 -3.225 358 3HB ALA 48 HB2 ALA 48 -8.560 -12.818 -4.171 359 H THR 49 HN THR 49 -8.132 -9.323 -1.859 360 HA THR 49 HA THR 49 -9.872 -10.303 0.320 361 HB THR 49 HB THR 49 -7.799 -10.782 1.761 362 HG1 THR 49 HG1 THR 49 -5.919 -11.050 0.477 363 1HG2 THR 49 HG21 THR 49 -9.134 -12.577 0.381 364 2HG2 THR 49 HG23 THR 49 -7.779 -12.486 -0.738 365 3HG2 THR 49 HG22 THR 49 -7.512 -12.994 0.926 366 H LYS 50 HN LYS 50 -9.112 -7.735 -1.152 367 HA LYS 50 HA LYS 50 -8.786 -5.478 -0.582 368 1HB LYS 50 HB2 LYS 50 -9.711 -6.444 2.137 369 2HB LYS 50 HB1 LYS 50 -9.750 -4.784 1.554 370 1HG LYS 50 HG2 LYS 50 -11.039 -6.499 -0.375 371 2HG LYS 50 HG1 LYS 50 -11.743 -6.782 1.212 372 1HD LYS 50 HD2 LYS 50 -12.202 -4.408 1.493 373 2HD LYS 50 HD1 LYS 50 -11.340 -4.025 0.006 374 1HE LYS 50 HE2 LYS 50 -13.600 -5.994 -0.114 375 2HE LYS 50 HE1 LYS 50 -13.984 -4.282 0.003 376 1HZ LYS 50 HZ1 LYS 50 -12.033 -5.226 -1.985 377 2HZ LYS 50 HZ3 LYS 50 -13.697 -5.346 -2.299 378 3HZ LYS 50 HZ2 LYS 50 -12.996 -3.827 -2.006 379 H THR 51 HN THR 51 -6.459 -6.460 -0.785 380 HA THR 51 HA THR 51 -4.946 -5.495 1.600 381 HB THR 51 HB THR 51 -4.580 -8.193 0.215 382 HG1 THR 51 HG1 THR 51 -5.612 -7.120 2.541 383 1HG2 THR 51 HG21 THR 51 -2.491 -6.629 1.310 384 2HG2 THR 51 HG23 THR 51 -2.978 -7.705 2.607 385 3HG2 THR 51 HG22 THR 51 -2.463 -8.363 1.060 386 H PHE 52 HN PHE 52 -3.702 -3.858 0.819 387 HA PHE 52 HA PHE 52 -3.018 -3.722 -2.018 388 1HB PHE 52 HB2 PHE 52 -2.993 -1.928 0.264 389 2HB PHE 52 HB1 PHE 52 -1.514 -1.804 -0.678 390 HD1 PHE 52 HD1 PHE 52 -1.598 -1.108 -3.064 391 HD2 PHE 52 HD2 PHE 52 -5.134 -1.370 -0.744 392 HE1 PHE 52 HE1 PHE 52 -2.844 0.133 -4.789 393 HE2 PHE 52 HE2 PHE 52 -6.333 -0.021 -2.369 394 HZ PHE 52 HZ PHE 52 -5.177 0.789 -4.370 395 H THR 53 HN THR 53 -0.708 -3.388 -2.671 396 HA THR 53 HA THR 53 1.352 -4.421 -0.869 397 HB THR 53 HB THR 53 0.480 -6.055 -3.281 398 HG1 THR 53 HG1 THR 53 -0.729 -6.397 -1.426 399 1HG2 THR 53 HG21 THR 53 2.953 -6.036 -1.576 400 2HG2 THR 53 HG23 THR 53 2.258 -7.602 -1.987 401 3HG2 THR 53 HG22 THR 53 2.782 -6.508 -3.264 402 H VAL 54 HN VAL 54 3.301 -3.621 -1.420 403 HA VAL 54 HA VAL 54 3.677 -2.604 -4.203 404 HB VAL 54 HB VAL 54 2.993 -0.743 -2.622 405 1HG1 VAL 54 HG13 VAL 54 4.257 -1.800 -0.682 406 2HG1 VAL 54 HG12 VAL 54 5.734 -1.183 -1.416 407 3HG1 VAL 54 HG11 VAL 54 4.482 -0.070 -0.879 408 1HG2 VAL 54 HG23 VAL 54 5.733 -0.726 -3.911 409 2HG2 VAL 54 HG22 VAL 54 4.230 -0.105 -4.569 410 3HG2 VAL 54 HG21 VAL 54 5.001 0.717 -3.225 411 H THR 55 HN THR 55 5.842 -2.599 -4.882 412 HA THR 55 HA THR 55 7.851 -3.773 -3.018 413 HB THR 55 HB THR 55 7.256 -4.908 -5.786 414 HG1 THR 55 HG1 THR 55 5.853 -5.960 -4.598 415 1HG2 THR 55 HG21 THR 55 9.452 -5.255 -3.807 416 2HG2 THR 55 HG23 THR 55 8.712 -6.751 -4.371 417 3HG2 THR 55 HG22 THR 55 9.434 -5.637 -5.523 418 H GLU 56 HN GLU 56 9.525 -2.379 -3.068 419 HA GLU 56 HA GLU 56 9.946 -0.410 -5.080 420 1HB GLU 56 HB2 GLU 56 11.072 -0.988 -2.626 421 2HB GLU 56 HB1 GLU 56 12.398 -1.296 -3.742 422 1HG GLU 56 HG2 GLU 56 11.832 0.961 -4.817 423 2HG GLU 56 HG1 GLU 56 10.800 1.257 -3.423 Start of MODEL 11 Raw file had 423 H/Q atoms Entry Start of MODEL 11 1 1H MET 1 HT3 MET 1 -13.915 2.059 4.788 2 2H MET 1 HT2 MET 1 -13.805 2.357 3.120 3 3H MET 1 HT1 MET 1 -15.132 1.503 3.745 4 HA MET 1 HA MET 1 -13.800 -0.356 4.309 5 1HB MET 1 HB2 MET 1 -12.473 -0.008 1.750 6 2HB MET 1 HB1 MET 1 -13.761 -1.123 2.188 7 1HG MET 1 HG2 MET 1 -14.104 1.788 1.440 8 2HG MET 1 HG1 MET 1 -14.458 0.431 0.408 9 1HE MET 1 HE3 MET 1 -16.255 -1.410 1.019 10 2HE MET 1 HE2 MET 1 -17.848 -0.653 1.062 11 3HE MET 1 HE1 MET 1 -16.664 -0.149 -0.144 12 H THR 2 HN THR 2 -11.681 -1.353 4.363 13 HA THR 2 HA THR 2 -9.398 0.557 4.383 14 HB THR 2 HB THR 2 -9.873 -1.390 6.668 15 HG1 THR 2 HG1 THR 2 -10.653 1.270 6.118 16 1HG2 THR 2 HG23 THR 2 -7.577 -0.072 5.992 17 2HG2 THR 2 HG22 THR 2 -8.391 1.183 6.919 18 3HG2 THR 2 HG21 THR 2 -8.042 -0.375 7.662 19 OH TYR 3 OH TYR 3 -11.534 0.267 -1.098 20 H TYR 3 HN TYR 3 -7.782 -0.264 3.224 21 HA TYR 3 HA TYR 3 -7.708 -3.217 2.783 22 1HB TYR 3 HB2 TYR 3 -6.068 -1.194 1.277 23 2HB TYR 3 HB1 TYR 3 -6.561 -2.800 0.766 24 HD1 TYR 3 HD1 TYR 3 -7.932 0.568 1.627 25 HD2 TYR 3 HD2 TYR 3 -8.574 -3.091 -0.434 26 HE1 TYR 3 HE1 TYR 3 -9.949 1.504 0.593 27 HE2 TYR 3 HE2 TYR 3 -10.587 -2.156 -1.474 28 HH TYR 3 HH TYR 3 -12.241 -0.376 -1.011 29 H LYS 4 HN LYS 4 -5.608 -4.278 2.805 30 HA LYS 4 HA LYS 4 -3.832 -3.093 4.897 31 1HB LYS 4 HB2 LYS 4 -5.027 -5.489 4.954 32 2HB LYS 4 HB1 LYS 4 -3.601 -5.946 4.037 33 1HG LYS 4 HG2 LYS 4 -2.364 -4.549 5.956 34 2HG LYS 4 HG1 LYS 4 -3.804 -4.997 6.863 35 1HD LYS 4 HD2 LYS 4 -3.423 -7.378 6.269 36 2HD LYS 4 HD1 LYS 4 -1.960 -6.917 5.405 37 1HE LYS 4 HE2 LYS 4 -1.239 -7.612 7.582 38 2HE LYS 4 HE1 LYS 4 -1.162 -5.854 7.591 39 1HZ LYS 4 HZ1 LYS 4 -3.720 -6.483 8.374 40 2HZ LYS 4 HZ3 LYS 4 -2.725 -7.586 9.198 41 3HZ LYS 4 HZ2 LYS 4 -2.458 -5.916 9.359 42 H LEU 5 HN LEU 5 -1.932 -2.302 4.216 43 HA LEU 5 HA LEU 5 -0.980 -2.994 1.511 44 1HB LEU 5 HB2 LEU 5 -0.886 -0.652 2.038 45 2HB LEU 5 HB1 LEU 5 -0.123 -0.956 3.589 46 HG LEU 5 HG LEU 5 1.929 -1.804 2.314 47 1HD1 LEU 5 HD13 LEU 5 0.436 -0.596 -0.036 48 2HD1 LEU 5 HD12 LEU 5 2.091 -1.186 -0.068 49 3HD1 LEU 5 HD11 LEU 5 0.764 -2.311 0.170 50 1HD2 LEU 5 HD21 LEU 5 1.573 0.581 3.186 51 2HD2 LEU 5 HD23 LEU 5 2.780 0.376 1.921 52 3HD2 LEU 5 HD22 LEU 5 1.189 1.007 1.524 53 H ILE 6 HN ILE 6 1.127 -3.801 1.109 54 HA ILE 6 HA ILE 6 2.555 -5.000 3.398 55 HB ILE 6 HB ILE 6 2.108 -6.416 0.763 56 1HG1 ILE 6 HG12 ILE 6 0.672 -6.619 3.426 57 2HG1 ILE 6 HG11 ILE 6 -0.037 -6.310 1.846 58 1HG2 ILE 6 HG21 ILE 6 4.164 -6.915 2.252 59 2HG2 ILE 6 HG23 ILE 6 3.013 -7.574 3.407 60 3HG2 ILE 6 HG22 ILE 6 3.157 -8.285 1.803 61 1HD1 ILE 6 HD3 ILE 6 0.925 -8.616 1.168 62 2HD1 ILE 6 HD2 ILE 6 1.143 -8.890 2.894 63 3HD1 ILE 6 HD1 ILE 6 -0.466 -8.615 2.244 64 H LEU 7 HN LEU 7 4.384 -3.823 3.406 65 HA LEU 7 HA LEU 7 5.556 -2.805 0.937 66 1HB LEU 7 HB2 LEU 7 6.329 -2.675 3.834 67 2HB LEU 7 HB1 LEU 7 7.411 -2.090 2.578 68 HG LEU 7 HG LEU 7 4.587 -1.191 2.365 69 1HD1 LEU 7 HD12 LEU 7 6.461 -0.203 4.546 70 2HD1 LEU 7 HD11 LEU 7 4.950 0.577 4.087 71 3HD1 LEU 7 HD13 LEU 7 4.929 -1.034 4.798 72 1HD2 LEU 7 HD21 LEU 7 6.691 -0.538 0.964 73 2HD2 LEU 7 HD23 LEU 7 5.603 0.749 1.477 74 3HD2 LEU 7 HD22 LEU 7 7.108 0.470 2.347 75 H ASN 8 HN ASN 8 6.869 -3.891 -0.352 76 HA ASN 8 HA ASN 8 8.428 -6.173 0.802 77 1HB ASN 8 HB2 ASN 8 6.803 -5.849 -1.587 78 2HB ASN 8 HB1 ASN 8 8.418 -6.376 -2.006 79 1HD2 ASN 8 HD22 ASN 8 5.968 -9.135 -0.843 80 2HD2 ASN 8 HD21 ASN 8 5.606 -7.722 -1.697 81 H GLY 9 HN GLY 9 9.408 -3.591 1.134 82 1HA GLY 9 HA2 GLY 9 11.066 -2.542 -0.875 83 2HA GLY 9 HA1 GLY 9 11.445 -2.428 0.836 84 H LYS 10 HN LYS 10 13.220 -2.865 -1.462 85 HA LYS 10 HA LYS 10 14.069 -5.566 -1.689 86 1HB LYS 10 HB2 LYS 10 16.360 -4.429 -2.195 87 2HB LYS 10 HB1 LYS 10 15.006 -4.118 -3.274 88 1HG LYS 10 HG2 LYS 10 14.797 -1.936 -2.596 89 2HG LYS 10 HG1 LYS 10 15.224 -2.308 -0.930 90 1HD LYS 10 HD2 LYS 10 17.592 -2.533 -1.565 91 2HD LYS 10 HD1 LYS 10 17.182 -2.220 -3.248 92 1HE LYS 10 HE2 LYS 10 16.915 0.027 -2.900 93 2HE LYS 10 HE1 LYS 10 16.198 -0.203 -1.311 94 1HZ LYS 10 HZ1 LYS 10 18.829 -1.037 -1.122 95 2HZ LYS 10 HZ3 LYS 10 18.859 0.432 -1.975 96 3HZ LYS 10 HZ2 LYS 10 18.132 0.354 -0.443 97 H THR 11 HN THR 11 14.867 -3.076 0.657 98 HA THR 11 HA THR 11 16.271 -5.150 2.286 99 HB THR 11 HB THR 11 17.465 -2.912 3.175 100 HG1 THR 11 HG1 THR 11 15.993 -1.822 1.616 101 1HG2 THR 11 HG21 THR 11 18.037 -4.615 0.768 102 2HG2 THR 11 HG23 THR 11 18.994 -3.154 0.991 103 3HG2 THR 11 HG22 THR 11 19.005 -4.410 2.225 104 H LEU 12 HN LEU 12 13.504 -3.564 2.076 105 HA LEU 12 HA LEU 12 13.203 -3.451 5.037 106 1HB LEU 12 HB2 LEU 12 13.716 -1.139 4.006 107 2HB LEU 12 HB1 LEU 12 12.099 -1.235 3.318 108 HG LEU 12 HG LEU 12 11.528 -1.939 5.865 109 1HD1 LEU 12 HD13 LEU 12 13.907 -1.687 6.560 110 2HD1 LEU 12 HD12 LEU 12 13.861 -0.001 6.056 111 3HD1 LEU 12 HD11 LEU 12 12.861 -0.545 7.400 112 1HD2 LEU 12 HD22 LEU 12 11.803 0.800 4.607 113 2HD2 LEU 12 HD21 LEU 12 10.341 -0.163 4.806 114 3HD2 LEU 12 HD23 LEU 12 11.099 0.587 6.207 115 H LYS 13 HN LYS 13 11.232 -4.129 5.742 116 HA LYS 13 HA LYS 13 9.050 -4.443 3.734 117 1HB LYS 13 HB2 LYS 13 9.957 -6.614 5.643 118 2HB LYS 13 HB1 LYS 13 8.589 -6.723 4.550 119 1HG LYS 13 HG2 LYS 13 10.139 -7.686 3.160 120 2HG LYS 13 HG1 LYS 13 10.530 -6.014 2.792 121 1HD LYS 13 HD2 LYS 13 12.634 -6.921 3.338 122 2HD LYS 13 HD1 LYS 13 12.133 -6.181 4.852 123 1HE LYS 13 HE2 LYS 13 12.596 -8.245 5.722 124 2HE LYS 13 HE1 LYS 13 10.995 -8.646 5.114 125 1HZ LYS 13 HZ2 LYS 13 12.857 -8.886 3.027 126 2HZ LYS 13 HZ1 LYS 13 13.432 -9.751 4.371 127 3HZ LYS 13 HZ3 LYS 13 11.894 -10.092 3.737 128 H GLY 14 HN GLY 14 6.985 -4.240 4.583 129 1HA GLY 14 HA2 GLY 14 6.567 -4.153 7.480 130 2HA GLY 14 HA1 GLY 14 6.458 -2.578 6.702 131 H GLU 15 HN GLU 15 4.217 -2.683 7.524 132 HA GLU 15 HA GLU 15 2.373 -3.353 5.447 133 1HB GLU 15 HB2 GLU 15 1.127 -5.111 6.923 134 2HB GLU 15 HB1 GLU 15 2.509 -5.634 5.965 135 1HG GLU 15 HG2 GLU 15 3.880 -5.864 7.818 136 2HG GLU 15 HG1 GLU 15 3.054 -4.594 8.716 137 H THR 16 HN THR 16 0.667 -2.037 5.714 138 HA THR 16 HA THR 16 -0.300 -1.419 8.438 139 HB THR 16 HB THR 16 1.326 0.370 8.201 140 HG1 THR 16 HG1 THR 16 -1.085 1.468 7.233 141 1HG2 THR 16 HG21 THR 16 0.850 0.097 5.432 142 2HG2 THR 16 HG23 THR 16 0.170 1.663 5.856 143 3HG2 THR 16 HG22 THR 16 1.863 1.318 6.192 144 H THR 17 HN THR 17 -2.413 -0.523 8.466 145 HA THR 17 HA THR 17 -3.890 -0.949 5.900 146 HB THR 17 HB THR 17 -5.766 -1.650 7.193 147 HG1 THR 17 HG1 THR 17 -6.110 -0.712 9.105 148 1HG2 THR 17 HG22 THR 17 -3.359 -2.893 7.756 149 2HG2 THR 17 HG21 THR 17 -3.881 -2.385 9.358 150 3HG2 THR 17 HG23 THR 17 -4.912 -3.430 8.386 151 H THR 18 HN THR 18 -5.062 0.666 5.019 152 HA THR 18 HA THR 18 -5.262 3.236 6.551 153 HB THR 18 HB THR 18 -3.675 3.117 4.445 154 HG1 THR 18 HG1 THR 18 -5.768 4.932 5.047 155 1HG2 THR 18 HG21 THR 18 -5.724 2.121 3.083 156 2HG2 THR 18 HG23 THR 18 -6.269 3.794 3.061 157 3HG2 THR 18 HG22 THR 18 -4.722 3.360 2.339 158 H GLU 19 HN GLU 19 -7.203 4.318 6.483 159 HA GLU 19 HA GLU 19 -9.508 2.726 5.551 160 1HB GLU 19 HB2 GLU 19 -9.313 3.981 7.815 161 2HB GLU 19 HB1 GLU 19 -9.684 5.422 6.875 162 1HG GLU 19 HG2 GLU 19 -11.750 4.351 6.037 163 2HG GLU 19 HG1 GLU 19 -11.376 2.900 6.964 164 H ALA 20 HN ALA 20 -9.416 2.940 3.310 165 HA ALA 20 HA ALA 20 -9.737 5.709 2.226 166 1HB ALA 20 HB3 ALA 20 -8.485 3.221 1.208 167 2HB ALA 20 HB2 ALA 20 -9.348 4.194 0.021 168 3HB ALA 20 HB1 ALA 20 -8.024 4.899 0.944 169 H VAL 21 HN VAL 21 -11.318 6.003 0.507 170 HA VAL 21 HA VAL 21 -13.739 4.362 1.018 171 HB VAL 21 HB VAL 21 -13.666 6.955 1.039 172 1HG1 VAL 21 HG13 VAL 21 -12.482 6.812 -1.311 173 2HG1 VAL 21 HG12 VAL 21 -14.125 6.640 -1.918 174 3HG1 VAL 21 HG11 VAL 21 -13.665 8.082 -1.017 175 1HG2 VAL 21 HG21 VAL 21 -15.696 5.370 -0.568 176 2HG2 VAL 21 HG23 VAL 21 -15.761 5.724 1.156 177 3HG2 VAL 21 HG22 VAL 21 -15.957 7.023 -0.018 178 H ASP 22 HN ASP 22 -11.384 5.014 -1.436 179 HA ASP 22 HA ASP 22 -12.714 3.002 -3.176 180 1HB ASP 22 HB2 ASP 22 -12.019 4.549 -5.150 181 2HB ASP 22 HB1 ASP 22 -13.482 4.946 -4.251 182 H ALA 23 HN ALA 23 -11.164 2.528 -5.110 183 HA ALA 23 HA ALA 23 -8.638 1.687 -3.937 184 1HB ALA 23 HB1 ALA 23 -9.943 1.404 -6.624 185 2HB ALA 23 HB3 ALA 23 -8.234 1.022 -6.445 186 3HB ALA 23 HB2 ALA 23 -9.435 0.148 -5.500 187 H ALA 24 HN ALA 24 -9.671 4.201 -6.161 188 HA ALA 24 HA ALA 24 -7.108 5.007 -7.100 189 1HB ALA 24 HB1 ALA 24 -9.568 6.705 -6.600 190 2HB ALA 24 HB3 ALA 24 -8.189 7.179 -7.586 191 3HB ALA 24 HB2 ALA 24 -9.207 5.832 -8.086 192 H THR 25 HN THR 25 -9.038 6.482 -4.488 193 HA THR 25 HA THR 25 -6.964 8.181 -3.542 194 HB THR 25 HB THR 25 -9.498 8.186 -2.893 195 HG1 THR 25 HG1 THR 25 -8.393 9.659 -1.814 196 1HG2 THR 25 HG21 THR 25 -9.098 5.743 -1.860 197 2HG2 THR 25 HG23 THR 25 -8.499 6.680 -0.496 198 3HG2 THR 25 HG22 THR 25 -10.155 6.893 -1.050 199 H ALA 26 HN ALA 26 -7.593 4.793 -3.021 200 HA ALA 26 HA ALA 26 -5.955 4.461 -0.682 201 1HB ALA 26 HB2 ALA 26 -7.603 2.770 -1.519 202 2HB ALA 26 HB1 ALA 26 -6.511 2.427 -2.856 203 3HB ALA 26 HB3 ALA 26 -6.011 2.087 -1.203 204 H GLU 27 HN GLU 27 -5.288 4.331 -4.145 205 HA GLU 27 HA GLU 27 -2.603 3.408 -4.000 206 1HB GLU 27 HB2 GLU 27 -4.211 4.970 -5.972 207 2HB GLU 27 HB1 GLU 27 -2.464 4.965 -6.167 208 1HG GLU 27 HG2 GLU 27 -2.474 2.480 -6.138 209 2HG GLU 27 HG1 GLU 27 -4.227 2.502 -5.970 210 H LYS 28 HN LYS 28 -3.934 6.689 -3.905 211 HA LYS 28 HA LYS 28 -1.324 7.941 -3.663 212 1HB LYS 28 HB2 LYS 28 -4.150 8.924 -3.287 213 2HB LYS 28 HB1 LYS 28 -2.758 9.958 -2.988 214 1HG LYS 28 HG2 LYS 28 -2.177 10.055 -5.221 215 2HG LYS 28 HG1 LYS 28 -2.791 8.440 -5.559 216 1HD LYS 28 HD2 LYS 28 -4.181 10.269 -6.585 217 2HD LYS 28 HD1 LYS 28 -5.089 9.240 -5.483 218 1HE LYS 28 HE2 LYS 28 -5.284 10.895 -3.883 219 2HE LYS 28 HE1 LYS 28 -3.748 11.636 -4.311 220 1HZ LYS 28 HZ1 LYS 28 -5.359 11.919 -6.525 221 2HZ LYS 28 HZ3 LYS 28 -6.354 12.287 -5.198 222 3HZ LYS 28 HZ2 LYS 28 -4.899 13.132 -5.429 223 H VAL 29 HN VAL 29 -3.930 7.184 -1.378 224 HA VAL 29 HA VAL 29 -2.833 8.386 0.927 225 HB VAL 29 HB VAL 29 -4.413 5.810 0.710 226 1HG1 VAL 29 HG12 VAL 29 -3.656 7.582 3.045 227 2HG1 VAL 29 HG11 VAL 29 -5.054 6.512 3.105 228 3HG1 VAL 29 HG13 VAL 29 -3.440 5.840 2.891 229 1HG2 VAL 29 HG21 VAL 29 -5.165 8.366 0.003 230 2HG2 VAL 29 HG23 VAL 29 -6.280 7.111 0.534 231 3HG2 VAL 29 HG22 VAL 29 -5.671 8.293 1.688 232 H PHE 30 HN PHE 30 -2.495 4.978 -0.063 233 HA PHE 30 HA PHE 30 -0.530 4.364 1.924 234 1HB PHE 30 HB2 PHE 30 -1.430 3.075 -0.627 235 2HB PHE 30 HB1 PHE 30 0.048 2.498 0.132 236 HD1 PHE 30 HD1 PHE 30 -0.248 2.275 2.865 237 HD2 PHE 30 HD2 PHE 30 -3.370 1.924 -0.018 238 HE1 PHE 30 HE1 PHE 30 -1.596 0.992 4.468 239 HE2 PHE 30 HE2 PHE 30 -4.692 0.633 1.590 240 HZ PHE 30 HZ PHE 30 -3.805 0.136 3.820 241 H LYS 31 HN LYS 31 -0.231 5.407 -1.454 242 HA LYS 31 HA LYS 31 2.586 5.181 -1.678 243 1HB LYS 31 HB2 LYS 31 1.149 5.699 -3.602 244 2HB LYS 31 HB1 LYS 31 0.765 7.266 -2.898 245 1HG LYS 31 HG2 LYS 31 3.650 6.781 -3.039 246 2HG LYS 31 HG1 LYS 31 2.882 6.750 -4.622 247 1HD LYS 31 HD2 LYS 31 1.832 8.936 -4.169 248 2HD LYS 31 HD1 LYS 31 2.562 8.964 -2.568 249 1HE LYS 31 HE2 LYS 31 4.107 8.835 -5.179 250 2HE LYS 31 HE1 LYS 31 3.876 10.292 -4.221 251 1HZ LYS 31 HZ2 LYS 31 4.819 8.467 -2.435 252 2HZ LYS 31 HZ1 LYS 31 5.714 8.142 -3.841 253 3HZ LYS 31 HZ3 LYS 31 5.720 9.704 -3.174 254 H GLN 32 HN GLN 32 0.575 7.690 -0.269 255 HA GLN 32 HA GLN 32 2.647 9.608 0.185 256 1HB GLN 32 HB2 GLN 32 0.143 9.983 0.404 257 2HB GLN 32 HB1 GLN 32 0.232 9.150 1.952 258 1HG GLN 32 HG2 GLN 32 0.660 11.243 2.777 259 2HG GLN 32 HG1 GLN 32 2.296 10.934 2.202 260 1HE2 GLN 32 HE22 GLN 32 0.896 14.158 0.749 261 2HE2 GLN 32 HE21 GLN 32 0.952 13.565 2.339 262 OH TYR 33 OH TYR 33 4.881 2.758 8.263 263 H TYR 33 HN TYR 33 1.639 6.731 1.871 264 HA TYR 33 HA TYR 33 3.224 7.255 4.258 265 1HB TYR 33 HB2 TYR 33 1.248 5.800 4.367 266 2HB TYR 33 HB1 TYR 33 1.990 4.691 3.220 267 HD1 TYR 33 HD1 TYR 33 4.083 3.463 3.865 268 HD2 TYR 33 HD2 TYR 33 1.890 5.768 6.688 269 HE1 TYR 33 HE1 TYR 33 5.245 2.324 5.696 270 HE2 TYR 33 HE2 TYR 33 3.053 4.628 8.521 271 HH TYR 33 HH TYR 33 5.087 3.411 8.936 272 H ALA 34 HN ALA 34 3.506 4.807 1.696 273 HA ALA 34 HA ALA 34 6.046 3.815 2.328 274 1HB ALA 34 HB2 ALA 34 4.322 3.257 0.375 275 2HB ALA 34 HB1 ALA 34 5.420 4.272 -0.555 276 3HB ALA 34 HB3 ALA 34 6.024 2.823 0.242 277 H ASN 35 HN ASN 35 5.189 6.853 0.871 278 HA ASN 35 HA ASN 35 7.779 7.501 -0.207 279 1HB ASN 35 HB2 ASN 35 5.535 8.640 -0.707 280 2HB ASN 35 HB1 ASN 35 5.769 9.514 0.805 281 1HD2 ASN 35 HD22 ASN 35 8.839 11.095 -0.509 282 2HD2 ASN 35 HD21 ASN 35 8.390 10.200 0.863 283 H ASP 36 HN ASP 36 6.278 7.954 2.940 284 HA ASP 36 HA ASP 36 8.421 9.610 3.989 285 1HB ASP 36 HB2 ASP 36 6.160 8.081 5.283 286 2HB ASP 36 HB1 ASP 36 7.331 9.007 6.219 287 H ASN 37 HN ASN 37 8.903 6.813 2.812 288 HA ASN 37 HA ASN 37 10.760 5.953 4.975 289 1HB ASN 37 HB2 ASN 37 8.825 4.154 3.497 290 2HB ASN 37 HB1 ASN 37 10.152 3.565 4.494 291 1HD2 ASN 37 HD22 ASN 37 6.956 5.405 6.318 292 2HD2 ASN 37 HD21 ASN 37 7.279 5.726 4.683 293 H GLY 38 HN GLY 38 9.901 6.060 1.599 294 1HA GLY 38 HA2 GLY 38 11.593 6.351 -0.120 295 2HA GLY 38 HA1 GLY 38 12.746 5.518 0.919 296 H VAL 39 HN VAL 39 9.471 4.685 -0.183 297 HA VAL 39 HA VAL 39 10.598 2.293 -1.560 298 HB VAL 39 HB VAL 39 8.297 2.268 0.411 299 1HG1 VAL 39 HG13 VAL 39 9.119 0.462 -1.772 300 2HG1 VAL 39 HG12 VAL 39 8.928 -0.343 -0.217 301 3HG1 VAL 39 HG11 VAL 39 7.583 0.554 -0.914 302 1HG2 VAL 39 HG21 VAL 39 10.554 2.311 1.444 303 2HG2 VAL 39 HG23 VAL 39 9.777 0.749 1.682 304 3HG2 VAL 39 HG22 VAL 39 11.027 0.933 0.456 305 H ASP 40 HN ASP 40 10.135 3.337 -3.541 306 HA ASP 40 HA ASP 40 7.259 3.211 -4.274 307 1HB ASP 40 HB2 ASP 40 8.993 5.639 -4.314 308 2HB ASP 40 HB1 ASP 40 7.861 5.419 -5.646 309 H GLY 41 HN GLY 41 6.977 2.234 -6.185 310 1HA GLY 41 HA2 GLY 41 8.597 2.569 -8.492 311 2HA GLY 41 HA1 GLY 41 9.169 1.131 -7.649 312 H GLU 42 HN GLU 42 7.604 -0.577 -7.239 313 HA GLU 42 HA GLU 42 5.525 -0.690 -9.386 314 1HB GLU 42 HB2 GLU 42 6.950 -2.888 -7.888 315 2HB GLU 42 HB1 GLU 42 5.698 -3.156 -9.092 316 1HG GLU 42 HG2 GLU 42 7.810 -1.344 -10.032 317 2HG GLU 42 HG1 GLU 42 8.417 -2.948 -9.626 318 CH2 TRP 43 CH2 TRP 43 2.114 2.605 -2.105 319 H TRP 43 HN TRP 43 3.460 -0.674 -8.784 320 HA TRP 43 HA TRP 43 2.813 -1.294 -5.924 321 1HB TRP 43 HB2 TRP 43 1.783 0.789 -7.822 322 2HB TRP 43 HB1 TRP 43 0.808 0.269 -6.458 323 HD1 TRP 43 HD1 TRP 43 4.395 1.527 -7.178 324 HE1 TRP 43 HE1 TRP 43 5.084 2.899 -5.152 325 HE3 TRP 43 HE3 TRP 43 0.414 0.731 -4.307 326 HZ2 TRP 43 HZ2 TRP 43 4.020 3.499 -2.449 327 HZ3 TRP 43 HZ3 TRP 43 0.232 1.601 -2.034 328 HH2 TRP 43 HH2 TRP 43 2.032 2.985 -1.098 329 H THR 44 HN THR 44 1.313 -2.796 -5.532 330 HA THR 44 HA THR 44 -0.265 -3.850 -7.854 331 HB THR 44 HB THR 44 -0.172 -6.064 -6.445 332 HG1 THR 44 HG1 THR 44 0.736 -4.671 -4.694 333 1HG2 THR 44 HG21 THR 44 2.360 -4.882 -7.658 334 2HG2 THR 44 HG23 THR 44 2.136 -6.585 -7.272 335 3HG2 THR 44 HG22 THR 44 1.160 -5.831 -8.529 336 OH TYR 45 OH TYR 45 -8.863 -1.398 -3.249 337 H TYR 45 HN TYR 45 -2.248 -5.033 -7.155 338 HA TYR 45 HA TYR 45 -3.466 -3.963 -4.653 339 1HB TYR 45 HB2 TYR 45 -3.976 -2.560 -6.775 340 2HB TYR 45 HB1 TYR 45 -4.956 -3.934 -7.288 341 HD1 TYR 45 HD1 TYR 45 -6.488 -4.813 -4.992 342 HD2 TYR 45 HD2 TYR 45 -5.289 -0.853 -5.954 343 HE1 TYR 45 HE1 TYR 45 -8.288 -3.932 -3.605 344 HE2 TYR 45 HE2 TYR 45 -7.131 0.027 -4.612 345 HH TYR 45 HH TYR 45 -9.435 -0.882 -3.823 346 H ASP 46 HN ASP 46 -4.458 -5.573 -3.580 347 HA ASP 46 HA ASP 46 -5.087 -8.089 -5.071 348 1HB ASP 46 HB2 ASP 46 -3.466 -8.031 -3.043 349 2HB ASP 46 HB1 ASP 46 -4.926 -7.867 -2.074 350 H ASP 47 HN ASP 47 -7.111 -7.078 -5.797 351 HA ASP 47 HA ASP 47 -9.142 -6.277 -3.914 352 1HB ASP 47 HB2 ASP 47 -9.205 -5.583 -6.276 353 2HB ASP 47 HB1 ASP 47 -9.425 -7.260 -6.768 354 H ALA 48 HN ALA 48 -7.759 -9.172 -4.183 355 HA ALA 48 HA ALA 48 -10.121 -10.893 -4.213 356 1HB ALA 48 HB1 ALA 48 -7.524 -11.361 -4.769 357 2HB ALA 48 HB3 ALA 48 -7.562 -11.901 -3.094 358 3HB ALA 48 HB2 ALA 48 -8.636 -12.635 -4.280 359 H THR 49 HN THR 49 -8.153 -9.305 -1.802 360 HA THR 49 HA THR 49 -10.100 -10.166 0.261 361 HB THR 49 HB THR 49 -8.129 -10.727 1.820 362 HG1 THR 49 HG1 THR 49 -6.669 -11.186 -0.492 363 1HG2 THR 49 HG21 THR 49 -9.475 -12.484 0.443 364 2HG2 THR 49 HG23 THR 49 -8.121 -12.440 -0.680 365 3HG2 THR 49 HG22 THR 49 -7.869 -12.959 0.984 366 H LYS 50 HN LYS 50 -9.098 -7.656 -1.177 367 HA LYS 50 HA LYS 50 -8.786 -5.404 -0.603 368 1HB LYS 50 HB2 LYS 50 -9.610 -6.184 2.194 369 2HB LYS 50 HB1 LYS 50 -9.850 -4.641 1.383 370 1HG LYS 50 HG2 LYS 50 -11.187 -6.115 -0.361 371 2HG LYS 50 HG1 LYS 50 -11.317 -7.232 0.992 372 1HD LYS 50 HD2 LYS 50 -12.195 -5.329 2.392 373 2HD LYS 50 HD1 LYS 50 -12.208 -4.332 0.942 374 1HE LYS 50 HE2 LYS 50 -14.387 -5.155 0.910 375 2HE LYS 50 HE1 LYS 50 -13.570 -6.368 -0.067 376 1HZ LYS 50 HZ3 LYS 50 -13.311 -7.723 1.934 377 2HZ LYS 50 HZ2 LYS 50 -14.178 -6.569 2.828 378 3HZ LYS 50 HZ1 LYS 50 -14.943 -7.420 1.573 379 H THR 51 HN THR 51 -6.471 -6.333 -0.832 380 HA THR 51 HA THR 51 -4.959 -5.432 1.571 381 HB THR 51 HB THR 51 -4.754 -8.155 0.240 382 HG1 THR 51 HG1 THR 51 -5.496 -6.954 2.576 383 1HG2 THR 51 HG22 THR 51 -2.705 -6.817 2.053 384 2HG2 THR 51 HG21 THR 51 -2.697 -8.509 1.582 385 3HG2 THR 51 HG23 THR 51 -2.414 -7.261 0.375 386 H PHE 52 HN PHE 52 -3.693 -3.800 0.820 387 HA PHE 52 HA PHE 52 -2.977 -3.656 -2.010 388 1HB PHE 52 HB2 PHE 52 -3.010 -1.866 0.260 389 2HB PHE 52 HB1 PHE 52 -1.486 -1.755 -0.609 390 HD1 PHE 52 HD1 PHE 52 -1.465 -1.117 -3.029 391 HD2 PHE 52 HD2 PHE 52 -5.075 -1.229 -0.807 392 HE1 PHE 52 HE1 PHE 52 -2.622 0.130 -4.813 393 HE2 PHE 52 HE2 PHE 52 -6.180 0.136 -2.494 394 HZ PHE 52 HZ PHE 52 -4.945 0.857 -4.482 395 H THR 53 HN THR 53 -0.658 -3.322 -2.639 396 HA THR 53 HA THR 53 1.385 -4.360 -0.822 397 HB THR 53 HB THR 53 0.529 -5.986 -3.247 398 HG1 THR 53 HG1 THR 53 0.456 -6.142 -0.427 399 1HG2 THR 53 HG21 THR 53 2.962 -6.044 -1.455 400 2HG2 THR 53 HG23 THR 53 2.308 -7.554 -2.082 401 3HG2 THR 53 HG22 THR 53 2.882 -6.315 -3.193 402 H VAL 54 HN VAL 54 3.417 -3.721 -1.438 403 HA VAL 54 HA VAL 54 3.767 -2.648 -4.193 404 HB VAL 54 HB VAL 54 3.072 -0.768 -2.661 405 1HG1 VAL 54 HG12 VAL 54 4.260 -1.813 -0.675 406 2HG1 VAL 54 HG11 VAL 54 5.767 -1.222 -1.366 407 3HG1 VAL 54 HG13 VAL 54 4.514 -0.087 -0.879 408 1HG2 VAL 54 HG22 VAL 54 5.868 -0.750 -3.831 409 2HG2 VAL 54 HG21 VAL 54 4.389 -0.182 -4.590 410 3HG2 VAL 54 HG23 VAL 54 5.071 0.692 -3.226 411 H THR 55 HN THR 55 5.946 -2.611 -4.856 412 HA THR 55 HA THR 55 7.949 -3.762 -2.977 413 HB THR 55 HB THR 55 7.353 -4.959 -5.718 414 HG1 THR 55 HG1 THR 55 5.821 -5.605 -4.281 415 1HG2 THR 55 HG22 THR 55 9.541 -5.272 -3.723 416 2HG2 THR 55 HG21 THR 55 8.801 -6.773 -4.268 417 3HG2 THR 55 HG23 THR 55 9.532 -5.679 -5.433 418 H GLU 56 HN GLU 56 9.673 -2.434 -3.081 419 HA GLU 56 HA GLU 56 10.060 -0.470 -5.115 420 1HB GLU 56 HB2 GLU 56 11.239 -1.069 -2.670 421 2HB GLU 56 HB1 GLU 56 12.542 -1.299 -3.828 422 1HG GLU 56 HG2 GLU 56 10.789 1.173 -3.606 423 2HG GLU 56 HG1 GLU 56 12.462 1.052 -3.071 Start of MODEL 12 Raw file had 423 H/Q atoms Entry Start of MODEL 12 1 1H MET 1 HT2 MET 1 -13.612 2.344 3.617 2 2H MET 1 HT1 MET 1 -13.242 1.713 2.084 3 3H MET 1 HT3 MET 1 -14.756 1.404 2.786 4 HA MET 1 HA MET 1 -13.740 0.103 4.524 5 1HB MET 1 HB2 MET 1 -12.636 -0.790 1.854 6 2HB MET 1 HB1 MET 1 -13.101 -1.806 3.214 7 1HG MET 1 HG2 MET 1 -14.941 -0.067 1.560 8 2HG MET 1 HG1 MET 1 -14.830 -1.805 1.473 9 1HE MET 1 HE3 MET 1 -17.206 -2.042 1.448 10 2HE MET 1 HE2 MET 1 -16.540 -3.297 2.491 11 3HE MET 1 HE1 MET 1 -18.026 -2.466 2.951 12 H THR 2 HN THR 2 -11.629 -1.281 4.811 13 HA THR 2 HA THR 2 -9.280 0.567 4.586 14 HB THR 2 HB THR 2 -9.668 -1.381 6.879 15 HG1 THR 2 HG1 THR 2 -11.361 -0.042 7.112 16 1HG2 THR 2 HG22 THR 2 -7.469 0.065 6.212 17 2HG2 THR 2 HG21 THR 2 -8.370 1.303 7.078 18 3HG2 THR 2 HG23 THR 2 -7.937 -0.199 7.888 19 OH TYR 3 OH TYR 3 -11.664 -0.074 -0.991 20 H TYR 3 HN TYR 3 -7.779 -0.266 3.289 21 HA TYR 3 HA TYR 3 -7.676 -3.220 2.929 22 1HB TYR 3 HB2 TYR 3 -6.107 -1.176 1.362 23 2HB TYR 3 HB1 TYR 3 -6.517 -2.819 0.895 24 HD1 TYR 3 HD1 TYR 3 -8.043 0.498 1.664 25 HD2 TYR 3 HD2 TYR 3 -8.537 -3.260 -0.259 26 HE1 TYR 3 HE1 TYR 3 -10.115 1.301 0.625 27 HE2 TYR 3 HE2 TYR 3 -10.605 -2.458 -1.299 28 HH TYR 3 HH TYR 3 -12.137 -0.833 -1.337 29 H LYS 4 HN LYS 4 -5.511 -4.223 2.801 30 HA LYS 4 HA LYS 4 -3.719 -3.065 4.896 31 1HB LYS 4 HB2 LYS 4 -4.892 -5.471 4.955 32 2HB LYS 4 HB1 LYS 4 -3.485 -5.903 4.000 33 1HG LYS 4 HG2 LYS 4 -2.222 -4.509 5.914 34 2HG LYS 4 HG1 LYS 4 -3.628 -5.015 6.845 35 1HD LYS 4 HD2 LYS 4 -3.192 -7.379 6.065 36 2HD LYS 4 HD1 LYS 4 -1.691 -6.806 5.349 37 1HE LYS 4 HE2 LYS 4 -1.384 -7.760 7.654 38 2HE LYS 4 HE1 LYS 4 -0.863 -6.084 7.524 39 1HZ LYS 4 HZ3 LYS 4 -3.543 -6.899 8.487 40 2HZ LYS 4 HZ2 LYS 4 -2.225 -6.595 9.513 41 3HZ LYS 4 HZ1 LYS 4 -2.855 -5.349 8.546 42 H LEU 5 HN LEU 5 -1.828 -2.272 4.195 43 HA LEU 5 HA LEU 5 -0.950 -2.913 1.457 44 1HB LEU 5 HB2 LEU 5 -0.817 -0.581 2.045 45 2HB LEU 5 HB1 LEU 5 0.002 -0.936 3.558 46 HG LEU 5 HG LEU 5 1.990 -1.780 2.196 47 1HD1 LEU 5 HD12 LEU 5 0.384 -0.562 -0.074 48 2HD1 LEU 5 HD11 LEU 5 2.061 -1.077 -0.188 49 3HD1 LEU 5 HD13 LEU 5 0.796 -2.264 0.088 50 1HD2 LEU 5 HD21 LEU 5 1.736 0.573 3.124 51 2HD2 LEU 5 HD23 LEU 5 2.832 0.413 1.756 52 3HD2 LEU 5 HD22 LEU 5 1.214 1.056 1.515 53 H ILE 6 HN ILE 6 1.068 -3.816 0.977 54 HA ILE 6 HA ILE 6 2.500 -5.131 3.210 55 HB ILE 6 HB ILE 6 1.715 -6.205 0.512 56 1HG1 ILE 6 HG12 ILE 6 1.629 -7.404 3.308 57 2HG1 ILE 6 HG11 ILE 6 0.276 -6.565 2.562 58 1HG2 ILE 6 HG21 ILE 6 4.048 -6.968 2.273 59 2HG2 ILE 6 HG23 ILE 6 3.281 -8.168 1.240 60 3HG2 ILE 6 HG22 ILE 6 4.020 -6.741 0.528 61 1HD1 ILE 6 HD2 ILE 6 1.040 -8.411 0.611 62 2HD1 ILE 6 HD1 ILE 6 1.233 -9.300 2.117 63 3HD1 ILE 6 HD3 ILE 6 -0.321 -8.585 1.711 64 H LEU 7 HN LEU 7 4.274 -3.871 3.405 65 HA LEU 7 HA LEU 7 5.517 -2.652 1.064 66 1HB LEU 7 HB2 LEU 7 6.272 -2.692 3.982 67 2HB LEU 7 HB1 LEU 7 7.183 -1.822 2.755 68 HG LEU 7 HG LEU 7 4.267 -1.330 2.696 69 1HD1 LEU 7 HD11 LEU 7 5.993 -0.464 5.041 70 2HD1 LEU 7 HD13 LEU 7 4.431 0.251 4.653 71 3HD1 LEU 7 HD12 LEU 7 4.532 -1.444 5.114 72 1HD2 LEU 7 HD21 LEU 7 5.941 -0.112 1.316 73 2HD2 LEU 7 HD23 LEU 7 5.068 0.981 2.385 74 3HD2 LEU 7 HD22 LEU 7 6.707 0.480 2.787 75 H ASN 8 HN ASN 8 6.670 -3.912 -0.272 76 HA ASN 8 HA ASN 8 8.422 -6.005 0.938 77 1HB ASN 8 HB2 ASN 8 6.917 -5.730 -1.570 78 2HB ASN 8 HB1 ASN 8 8.557 -6.298 -1.816 79 1HD2 ASN 8 HD22 ASN 8 5.876 -8.898 -0.630 80 2HD2 ASN 8 HD21 ASN 8 5.560 -7.461 -1.462 81 H GLY 9 HN GLY 9 9.219 -3.390 1.318 82 1HA GLY 9 HA2 GLY 9 10.838 -2.174 -0.614 83 2HA GLY 9 HA1 GLY 9 11.162 -2.078 1.109 84 H LYS 10 HN LYS 10 12.947 -2.378 -1.265 85 HA LYS 10 HA LYS 10 14.054 -5.002 -1.379 86 1HB LYS 10 HB2 LYS 10 14.512 -2.779 -2.785 87 2HB LYS 10 HB1 LYS 10 15.850 -2.632 -1.652 88 1HG LYS 10 HG2 LYS 10 16.606 -4.915 -2.247 89 2HG LYS 10 HG1 LYS 10 15.264 -5.068 -3.375 90 1HD LYS 10 HD2 LYS 10 16.227 -3.669 -4.925 91 2HD LYS 10 HD1 LYS 10 16.979 -2.656 -3.698 92 1HE LYS 10 HE2 LYS 10 18.676 -3.948 -4.961 93 2HE LYS 10 HE1 LYS 10 18.660 -4.402 -3.263 94 1HZ LYS 10 HZ3 LYS 10 17.044 -5.883 -5.232 95 2HZ LYS 10 HZ2 LYS 10 18.691 -6.237 -5.017 96 3HZ LYS 10 HZ1 LYS 10 17.612 -6.394 -3.715 97 H THR 11 HN THR 11 15.008 -2.178 0.543 98 HA THR 11 HA THR 11 16.730 -3.946 2.207 99 HB THR 11 HB THR 11 17.329 -1.489 3.134 100 HG1 THR 11 HG1 THR 11 15.648 -0.601 1.833 101 1HG2 THR 11 HG21 THR 11 18.208 -2.912 0.633 102 2HG2 THR 11 HG23 THR 11 18.768 -1.263 0.896 103 3HG2 THR 11 HG22 THR 11 19.154 -2.522 2.066 104 H LEU 12 HN LEU 12 13.614 -3.044 2.198 105 HA LEU 12 HA LEU 12 13.428 -3.326 5.137 106 1HB LEU 12 HB2 LEU 12 13.629 -0.829 4.469 107 2HB LEU 12 HB1 LEU 12 11.989 -1.012 3.858 108 HG LEU 12 HG LEU 12 11.728 -2.191 6.299 109 1HD1 LEU 12 HD11 LEU 12 14.123 -1.584 6.820 110 2HD1 LEU 12 HD13 LEU 12 13.668 0.112 6.696 111 3HD1 LEU 12 HD12 LEU 12 12.962 -0.899 7.952 112 1HD2 LEU 12 HD21 LEU 12 11.533 0.770 5.644 113 2HD2 LEU 12 HD23 LEU 12 10.272 -0.432 5.392 114 3HD2 LEU 12 HD22 LEU 12 10.764 -0.002 7.028 115 H LYS 13 HN LYS 13 11.355 -3.961 5.859 116 HA LYS 13 HA LYS 13 9.297 -4.448 3.770 117 1HB LYS 13 HB2 LYS 13 10.519 -6.548 5.564 118 2HB LYS 13 HB1 LYS 13 8.968 -6.774 4.775 119 1HG LYS 13 HG2 LYS 13 9.990 -6.519 2.582 120 2HG LYS 13 HG1 LYS 13 11.532 -6.091 3.304 121 1HD LYS 13 HD2 LYS 13 11.534 -8.458 2.611 122 2HD LYS 13 HD1 LYS 13 11.662 -8.325 4.360 123 1HE LYS 13 HE2 LYS 13 9.479 -9.066 4.713 124 2HE LYS 13 HE1 LYS 13 8.933 -8.539 3.126 125 1HZ LYS 13 HZ2 LYS 13 10.727 -10.364 2.436 126 2HZ LYS 13 HZ1 LYS 13 10.215 -11.016 3.918 127 3HZ LYS 13 HZ3 LYS 13 9.084 -10.717 2.686 128 H GLY 14 HN GLY 14 7.227 -4.222 4.516 129 1HA GLY 14 HA2 GLY 14 6.620 -4.401 7.367 130 2HA GLY 14 HA1 GLY 14 6.600 -2.750 6.759 131 H GLU 15 HN GLU 15 4.323 -2.865 7.422 132 HA GLU 15 HA GLU 15 2.578 -3.247 5.192 133 1HB GLU 15 HB2 GLU 15 1.190 -5.096 6.362 134 2HB GLU 15 HB1 GLU 15 2.653 -5.587 5.516 135 1HG GLU 15 HG2 GLU 15 3.728 -6.157 7.452 136 2HG GLU 15 HG1 GLU 15 3.070 -4.781 8.334 137 H THR 16 HN THR 16 0.882 -1.911 5.522 138 HA THR 16 HA THR 16 -0.081 -1.464 8.296 139 HB THR 16 HB THR 16 1.541 0.340 8.093 140 HG1 THR 16 HG1 THR 16 -0.861 1.532 7.259 141 1HG2 THR 16 HG22 THR 16 1.020 0.190 5.338 142 2HG2 THR 16 HG21 THR 16 0.260 1.698 5.831 143 3HG2 THR 16 HG23 THR 16 1.975 1.437 6.128 144 H THR 17 HN THR 17 -2.187 -0.585 8.413 145 HA THR 17 HA THR 17 -3.733 -0.941 5.886 146 HB THR 17 HB THR 17 -5.587 -1.613 7.229 147 HG1 THR 17 HG1 THR 17 -4.172 0.009 9.040 148 1HG2 THR 17 HG21 THR 17 -3.185 -2.898 7.715 149 2HG2 THR 17 HG23 THR 17 -3.656 -2.393 9.334 150 3HG2 THR 17 HG22 THR 17 -4.728 -3.415 8.381 151 H THR 18 HN THR 18 -4.999 0.657 5.082 152 HA THR 18 HA THR 18 -5.131 3.226 6.617 153 HB THR 18 HB THR 18 -3.523 3.126 4.524 154 HG1 THR 18 HG1 THR 18 -3.980 5.071 5.393 155 1HG2 THR 18 HG23 THR 18 -5.588 2.171 3.139 156 2HG2 THR 18 HG22 THR 18 -6.086 3.859 3.118 157 3HG2 THR 18 HG21 THR 18 -4.543 3.388 2.413 158 H GLU 19 HN GLU 19 -7.057 4.358 6.490 159 HA GLU 19 HA GLU 19 -9.366 2.772 5.552 160 1HB GLU 19 HB2 GLU 19 -9.505 3.770 7.775 161 2HB GLU 19 HB1 GLU 19 -9.207 5.370 7.102 162 1HG GLU 19 HG2 GLU 19 -11.313 5.456 6.050 163 2HG GLU 19 HG1 GLU 19 -11.507 3.705 6.082 164 H ALA 20 HN ALA 20 -9.517 2.955 3.362 165 HA ALA 20 HA ALA 20 -9.725 5.725 2.232 166 1HB ALA 20 HB1 ALA 20 -8.714 3.142 1.060 167 2HB ALA 20 HB3 ALA 20 -9.265 4.451 0.018 168 3HB ALA 20 HB2 ALA 20 -7.913 4.709 1.118 169 H VAL 21 HN VAL 21 -11.429 6.161 0.802 170 HA VAL 21 HA VAL 21 -13.789 4.433 1.206 171 HB VAL 21 HB VAL 21 -13.831 6.974 1.408 172 1HG1 VAL 21 HG11 VAL 21 -12.446 7.116 -0.811 173 2HG1 VAL 21 HG13 VAL 21 -14.008 6.934 -1.602 174 3HG1 VAL 21 HG12 VAL 21 -13.716 8.303 -0.534 175 1HG2 VAL 21 HG22 VAL 21 -15.700 5.600 -0.555 176 2HG2 VAL 21 HG21 VAL 21 -15.897 5.665 1.194 177 3HG2 VAL 21 HG23 VAL 21 -16.034 7.137 0.236 178 H ASP 22 HN ASP 22 -11.425 5.092 -1.193 179 HA ASP 22 HA ASP 22 -12.818 3.226 -3.032 180 1HB ASP 22 HB2 ASP 22 -12.921 4.670 -4.834 181 2HB ASP 22 HB1 ASP 22 -13.160 5.823 -3.524 182 H ALA 23 HN ALA 23 -11.278 2.837 -5.005 183 HA ALA 23 HA ALA 23 -8.761 1.899 -3.864 184 1HB ALA 23 HB3 ALA 23 -10.219 1.585 -6.435 185 2HB ALA 23 HB2 ALA 23 -8.472 1.375 -6.485 186 3HB ALA 23 HB1 ALA 23 -9.450 0.365 -5.425 187 H ALA 24 HN ALA 24 -9.747 4.362 -6.198 188 HA ALA 24 HA ALA 24 -7.216 5.159 -7.139 189 1HB ALA 24 HB1 ALA 24 -9.716 6.030 -7.598 190 2HB ALA 24 HB3 ALA 24 -9.173 7.314 -6.523 191 3HB ALA 24 HB2 ALA 24 -8.298 6.986 -8.016 192 H THR 25 HN THR 25 -9.011 6.557 -4.397 193 HA THR 25 HA THR 25 -6.861 8.230 -3.524 194 HB THR 25 HB THR 25 -9.349 8.351 -2.794 195 HG1 THR 25 HG1 THR 25 -8.144 8.584 -0.476 196 1HG2 THR 25 HG23 THR 25 -9.115 5.845 -1.897 197 2HG2 THR 25 HG22 THR 25 -8.397 6.645 -0.503 198 3HG2 THR 25 HG21 THR 25 -10.049 7.023 -0.979 199 H ALA 26 HN ALA 26 -7.655 4.878 -2.909 200 HA ALA 26 HA ALA 26 -5.854 4.514 -0.690 201 1HB ALA 26 HB2 ALA 26 -7.714 2.954 -1.256 202 2HB ALA 26 HB1 ALA 26 -6.811 2.448 -2.680 203 3HB ALA 26 HB3 ALA 26 -6.167 2.132 -1.073 204 H GLU 27 HN GLU 27 -5.468 4.418 -4.165 205 HA GLU 27 HA GLU 27 -2.904 3.124 -4.199 206 1HB GLU 27 HB2 GLU 27 -4.363 4.912 -6.142 207 2HB GLU 27 HB1 GLU 27 -2.747 4.316 -6.480 208 1HG GLU 27 HG2 GLU 27 -3.609 1.968 -6.085 209 2HG GLU 27 HG1 GLU 27 -5.229 2.647 -5.973 210 H LYS 28 HN LYS 28 -3.835 6.556 -4.354 211 HA LYS 28 HA LYS 28 -1.051 7.426 -4.232 212 1HB LYS 28 HB2 LYS 28 -1.954 9.677 -4.224 213 2HB LYS 28 HB1 LYS 28 -2.832 8.717 -5.410 214 1HG LYS 28 HG2 LYS 28 -4.516 8.238 -3.513 215 2HG LYS 28 HG1 LYS 28 -3.736 9.557 -2.648 216 1HD LYS 28 HD2 LYS 28 -4.094 10.706 -5.099 217 2HD LYS 28 HD1 LYS 28 -5.494 9.643 -5.034 218 1HE LYS 28 HE2 LYS 28 -6.266 11.624 -4.003 219 2HE LYS 28 HE1 LYS 28 -5.844 10.595 -2.641 220 1HZ LYS 28 HZ3 LYS 28 -3.841 12.423 -3.777 221 2HZ LYS 28 HZ2 LYS 28 -5.016 13.014 -2.703 222 3HZ LYS 28 HZ1 LYS 28 -3.949 11.790 -2.204 223 H VAL 29 HN VAL 29 -3.669 6.992 -1.935 224 HA VAL 29 HA VAL 29 -2.565 8.510 0.218 225 HB VAL 29 HB VAL 29 -4.391 6.117 0.130 226 1HG1 VAL 29 HG12 VAL 29 -3.097 7.483 2.471 227 2HG1 VAL 29 HG11 VAL 29 -4.746 6.889 2.632 228 3HG1 VAL 29 HG13 VAL 29 -3.443 5.772 2.240 229 1HG2 VAL 29 HG21 VAL 29 -4.905 8.684 -0.465 230 2HG2 VAL 29 HG23 VAL 29 -6.088 7.673 0.358 231 3HG2 VAL 29 HG22 VAL 29 -5.082 8.783 1.283 232 H PHE 30 HN PHE 30 -2.488 4.964 -0.182 233 HA PHE 30 HA PHE 30 -0.588 4.434 1.822 234 1HB PHE 30 HB2 PHE 30 -1.402 3.051 -0.698 235 2HB PHE 30 HB1 PHE 30 0.082 2.512 0.076 236 HD1 PHE 30 HD1 PHE 30 -0.218 2.373 2.817 237 HD2 PHE 30 HD2 PHE 30 -3.321 1.874 -0.066 238 HE1 PHE 30 HE1 PHE 30 -1.549 1.112 4.456 239 HE2 PHE 30 HE2 PHE 30 -4.626 0.602 1.573 240 HZ PHE 30 HZ PHE 30 -3.738 0.189 3.823 241 H LYS 31 HN LYS 31 -0.095 5.338 -1.562 242 HA LYS 31 HA LYS 31 2.721 5.092 -1.667 243 1HB LYS 31 HB2 LYS 31 1.211 5.609 -3.608 244 2HB LYS 31 HB1 LYS 31 1.074 7.256 -2.997 245 1HG LYS 31 HG2 LYS 31 3.587 7.437 -3.106 246 2HG LYS 31 HG1 LYS 31 3.622 5.855 -3.875 247 1HD LYS 31 HD2 LYS 31 3.486 7.102 -5.796 248 2HD LYS 31 HD1 LYS 31 1.764 7.085 -5.427 249 1HE LYS 31 HE2 LYS 31 2.274 9.192 -3.988 250 2HE LYS 31 HE1 LYS 31 3.779 9.270 -4.895 251 1HZ LYS 31 HZ2 LYS 31 1.296 8.941 -6.399 252 2HZ LYS 31 HZ1 LYS 31 1.610 10.464 -5.715 253 3HZ LYS 31 HZ3 LYS 31 2.714 9.782 -6.810 254 H GLN 32 HN GLN 32 0.689 7.584 -0.289 255 HA GLN 32 HA GLN 32 2.801 9.494 0.167 256 1HB GLN 32 HB2 GLN 32 0.299 9.958 0.229 257 2HB GLN 32 HB1 GLN 32 0.276 9.179 1.807 258 1HG GLN 32 HG2 GLN 32 0.838 11.201 2.672 259 2HG GLN 32 HG1 GLN 32 2.431 10.957 1.963 260 1HE2 GLN 32 HE22 GLN 32 0.507 14.075 0.669 261 2HE2 GLN 32 HE21 GLN 32 0.490 13.407 2.229 262 OH TYR 33 OH TYR 33 4.486 2.704 8.407 263 H TYR 33 HN TYR 33 1.692 6.647 1.795 264 HA TYR 33 HA TYR 33 3.121 7.214 4.282 265 1HB TYR 33 HB2 TYR 33 1.105 5.824 4.348 266 2HB TYR 33 HB1 TYR 33 1.843 4.672 3.239 267 HD1 TYR 33 HD1 TYR 33 3.892 3.399 3.975 268 HD2 TYR 33 HD2 TYR 33 1.636 5.774 6.689 269 HE1 TYR 33 HE1 TYR 33 4.948 2.247 5.860 270 HE2 TYR 33 HE2 TYR 33 2.692 4.618 8.577 271 HH TYR 33 HH TYR 33 5.341 2.377 8.115 272 H ALA 34 HN ALA 34 3.460 4.734 1.760 273 HA ALA 34 HA ALA 34 5.890 3.608 2.514 274 1HB ALA 34 HB3 ALA 34 4.364 3.836 0.060 275 2HB ALA 34 HB2 ALA 34 6.092 3.868 -0.270 276 3HB ALA 34 HB1 ALA 34 5.390 2.515 0.610 277 H ASN 35 HN ASN 35 5.311 6.730 1.070 278 HA ASN 35 HA ASN 35 7.984 7.328 0.253 279 1HB ASN 35 HB2 ASN 35 5.969 8.663 -0.382 280 2HB ASN 35 HB1 ASN 35 5.890 9.267 1.271 281 1HD2 ASN 35 HD22 ASN 35 8.403 11.005 -1.324 282 2HD2 ASN 35 HD21 ASN 35 7.206 9.896 -1.790 283 H ASP 36 HN ASP 36 6.298 7.755 3.325 284 HA ASP 36 HA ASP 36 8.358 9.208 4.670 285 1HB ASP 36 HB2 ASP 36 6.111 7.434 5.605 286 2HB ASP 36 HB1 ASP 36 7.263 8.108 6.756 287 H ASN 37 HN ASN 37 8.589 6.252 3.307 288 HA ASN 37 HA ASN 37 10.710 5.389 5.235 289 1HB ASN 37 HB2 ASN 37 8.632 3.700 3.835 290 2HB ASN 37 HB1 ASN 37 10.074 3.018 4.581 291 1HD2 ASN 37 HD22 ASN 37 7.143 4.625 6.974 292 2HD2 ASN 37 HD21 ASN 37 7.221 5.065 5.337 293 H GLY 38 HN GLY 38 9.637 5.745 1.952 294 1HA GLY 38 HA2 GLY 38 11.182 6.118 0.128 295 2HA GLY 38 HA1 GLY 38 12.426 5.276 1.046 296 H VAL 39 HN VAL 39 9.149 4.524 -0.128 297 HA VAL 39 HA VAL 39 10.261 2.073 -1.427 298 HB VAL 39 HB VAL 39 7.641 2.113 0.084 299 1HG1 VAL 39 HG12 VAL 39 8.124 0.404 -1.764 300 2HG1 VAL 39 HG11 VAL 39 9.409 -0.211 -0.731 301 3HG1 VAL 39 HG13 VAL 39 7.738 -0.271 -0.185 302 1HG2 VAL 39 HG22 VAL 39 10.414 1.275 0.992 303 2HG2 VAL 39 HG21 VAL 39 9.387 2.506 1.721 304 3HG2 VAL 39 HG23 VAL 39 8.934 0.808 1.824 305 H ASP 40 HN ASP 40 10.076 3.047 -3.466 306 HA ASP 40 HA ASP 40 7.271 3.254 -4.452 307 1HB ASP 40 HB2 ASP 40 9.344 5.385 -4.442 308 2HB ASP 40 HB1 ASP 40 8.381 5.225 -5.908 309 H GLY 41 HN GLY 41 6.970 2.319 -6.387 310 1HA GLY 41 HA2 GLY 41 8.756 2.185 -8.551 311 2HA GLY 41 HA1 GLY 41 9.075 0.752 -7.575 312 H GLU 42 HN GLU 42 7.592 -0.901 -7.545 313 HA GLU 42 HA GLU 42 5.432 -0.717 -9.587 314 1HB GLU 42 HB2 GLU 42 6.635 -3.094 -8.165 315 2HB GLU 42 HB1 GLU 42 5.391 -3.190 -9.403 316 1HG GLU 42 HG2 GLU 42 7.892 -1.657 -10.028 317 2HG GLU 42 HG1 GLU 42 7.970 -3.417 -10.043 318 CH2 TRP 43 CH2 TRP 43 2.037 2.543 -2.363 319 H TRP 43 HN TRP 43 3.311 -0.892 -9.038 320 HA TRP 43 HA TRP 43 2.688 -1.332 -6.138 321 1HB TRP 43 HB2 TRP 43 1.687 0.712 -8.088 322 2HB TRP 43 HB1 TRP 43 0.690 0.235 -6.724 323 HD1 TRP 43 HD1 TRP 43 4.290 1.445 -7.442 324 HE1 TRP 43 HE1 TRP 43 5.010 2.787 -5.409 325 HE3 TRP 43 HE3 TRP 43 0.292 0.717 -4.571 326 HZ2 TRP 43 HZ2 TRP 43 3.961 3.397 -2.704 327 HZ3 TRP 43 HZ3 TRP 43 0.136 1.586 -2.292 328 HH2 TRP 43 HH2 TRP 43 1.967 2.915 -1.351 329 H THR 44 HN THR 44 1.152 -2.768 -5.662 330 HA THR 44 HA THR 44 -0.484 -3.871 -7.918 331 HB THR 44 HB THR 44 -0.328 -6.079 -6.516 332 HG1 THR 44 HG1 THR 44 2.010 -4.735 -5.661 333 1HG2 THR 44 HG23 THR 44 2.174 -4.905 -7.798 334 2HG2 THR 44 HG22 THR 44 1.932 -6.611 -7.434 335 3HG2 THR 44 HG21 THR 44 0.934 -5.820 -8.650 336 OH TYR 45 OH TYR 45 -8.982 -1.327 -3.088 337 H TYR 45 HN TYR 45 -2.498 -4.855 -7.266 338 HA TYR 45 HA TYR 45 -3.591 -3.853 -4.667 339 1HB TYR 45 HB2 TYR 45 -4.178 -2.433 -6.751 340 2HB TYR 45 HB1 TYR 45 -5.166 -3.804 -7.255 341 HD1 TYR 45 HD1 TYR 45 -6.647 -4.715 -4.930 342 HD2 TYR 45 HD2 TYR 45 -5.473 -0.740 -5.869 343 HE1 TYR 45 HE1 TYR 45 -8.408 -3.855 -3.484 344 HE2 TYR 45 HE2 TYR 45 -7.282 0.117 -4.469 345 HH TYR 45 HH TYR 45 -8.587 -0.834 -2.366 346 H ASP 46 HN ASP 46 -4.557 -5.440 -3.566 347 HA ASP 46 HA ASP 46 -5.263 -7.950 -5.023 348 1HB ASP 46 HB2 ASP 46 -3.598 -7.792 -2.968 349 2HB ASP 46 HB1 ASP 46 -5.091 -7.816 -2.039 350 H ASP 47 HN ASP 47 -7.329 -7.282 -5.710 351 HA ASP 47 HA ASP 47 -9.281 -6.296 -3.769 352 1HB ASP 47 HB2 ASP 47 -9.400 -5.575 -6.112 353 2HB ASP 47 HB1 ASP 47 -9.629 -7.243 -6.627 354 H ALA 48 HN ALA 48 -8.001 -9.277 -4.347 355 HA ALA 48 HA ALA 48 -10.427 -10.882 -4.152 356 1HB ALA 48 HB3 ALA 48 -7.481 -11.466 -4.022 357 2HB ALA 48 HB2 ALA 48 -8.654 -12.707 -3.600 358 3HB ALA 48 HB1 ALA 48 -8.658 -12.004 -5.214 359 H THR 49 HN THR 49 -8.238 -9.380 -1.927 360 HA THR 49 HA THR 49 -9.895 -10.405 0.318 361 HB THR 49 HB THR 49 -7.543 -10.642 1.564 362 HG1 THR 49 HG1 THR 49 -6.147 -11.494 -0.226 363 1HG2 THR 49 HG23 THR 49 -8.634 -12.606 -0.488 364 2HG2 THR 49 HG22 THR 49 -7.339 -13.005 0.635 365 3HG2 THR 49 HG21 THR 49 -8.946 -12.622 1.245 366 H LYS 50 HN LYS 50 -9.098 -7.804 -1.206 367 HA LYS 50 HA LYS 50 -8.838 -5.546 -0.633 368 1HB LYS 50 HB2 LYS 50 -9.702 -6.438 2.126 369 2HB LYS 50 HB1 LYS 50 -9.869 -4.834 1.425 370 1HG LYS 50 HG2 LYS 50 -11.160 -6.254 -0.471 371 2HG LYS 50 HG1 LYS 50 -11.460 -7.305 0.908 372 1HD LYS 50 HD2 LYS 50 -12.362 -5.382 2.181 373 2HD LYS 50 HD1 LYS 50 -12.062 -4.329 0.803 374 1HE LYS 50 HE2 LYS 50 -14.404 -5.028 0.778 375 2HE LYS 50 HE1 LYS 50 -13.567 -5.769 -0.580 376 1HZ LYS 50 HZ3 LYS 50 -13.208 -7.687 1.108 377 2HZ LYS 50 HZ2 LYS 50 -14.548 -7.001 1.893 378 3HZ LYS 50 HZ1 LYS 50 -14.687 -7.538 0.288 379 H THR 51 HN THR 51 -6.498 -6.377 -0.859 380 HA THR 51 HA THR 51 -5.019 -5.419 1.543 381 HB THR 51 HB THR 51 -4.748 -8.149 0.250 382 HG1 THR 51 HG1 THR 51 -4.333 -7.618 2.917 383 1HG2 THR 51 HG21 THR 51 -2.676 -6.727 1.967 384 2HG2 THR 51 HG23 THR 51 -2.642 -8.427 1.534 385 3HG2 THR 51 HG22 THR 51 -2.426 -7.200 0.293 386 H PHE 52 HN PHE 52 -3.709 -3.802 0.819 387 HA PHE 52 HA PHE 52 -3.062 -3.602 -2.027 388 1HB PHE 52 HB2 PHE 52 -3.052 -1.855 0.275 389 2HB PHE 52 HB1 PHE 52 -1.546 -1.726 -0.623 390 HD1 PHE 52 HD1 PHE 52 -1.586 -1.078 -3.045 391 HD2 PHE 52 HD2 PHE 52 -5.134 -1.191 -0.730 392 HE1 PHE 52 HE1 PHE 52 -2.776 0.209 -4.778 393 HE2 PHE 52 HE2 PHE 52 -6.277 0.193 -2.374 394 HZ PHE 52 HZ PHE 52 -5.087 0.941 -4.380 395 H THR 53 HN THR 53 -0.767 -3.311 -2.722 396 HA THR 53 HA THR 53 1.308 -4.341 -0.938 397 HB THR 53 HB THR 53 0.448 -5.980 -3.350 398 HG1 THR 53 HG1 THR 53 -0.870 -6.367 -1.627 399 1HG2 THR 53 HG21 THR 53 2.938 -5.844 -1.822 400 2HG2 THR 53 HG23 THR 53 2.155 -7.409 -1.622 401 3HG2 THR 53 HG22 THR 53 2.573 -6.832 -3.233 402 H VAL 54 HN VAL 54 3.280 -3.612 -1.536 403 HA VAL 54 HA VAL 54 3.623 -2.597 -4.327 404 HB VAL 54 HB VAL 54 3.060 -0.729 -2.679 405 1HG1 VAL 54 HG11 VAL 54 4.607 -1.998 -0.948 406 2HG1 VAL 54 HG13 VAL 54 5.870 -1.023 -1.687 407 3HG1 VAL 54 HG12 VAL 54 4.492 -0.244 -0.915 408 1HG2 VAL 54 HG22 VAL 54 5.736 -0.779 -4.107 409 2HG2 VAL 54 HG21 VAL 54 4.212 -0.167 -4.725 410 3HG2 VAL 54 HG23 VAL 54 5.035 0.682 -3.426 411 H THR 55 HN THR 55 5.805 -2.653 -5.049 412 HA THR 55 HA THR 55 7.743 -3.995 -3.214 413 HB THR 55 HB THR 55 7.464 -4.904 -6.088 414 HG1 THR 55 HG1 THR 55 5.781 -6.086 -5.467 415 1HG2 THR 55 HG22 THR 55 9.179 -5.614 -3.963 416 2HG2 THR 55 HG21 THR 55 7.932 -6.858 -3.964 417 3HG2 THR 55 HG23 THR 55 8.886 -6.566 -5.410 418 H GLU 56 HN GLU 56 9.422 -2.625 -3.119 419 HA GLU 56 HA GLU 56 9.994 -0.628 -5.097 420 1HB GLU 56 HB2 GLU 56 10.752 -0.913 -2.561 421 2HB GLU 56 HB1 GLU 56 12.167 -1.634 -3.315 422 1HG GLU 56 HG2 GLU 56 12.083 0.491 -4.865 423 2HG GLU 56 HG1 GLU 56 11.117 1.176 -3.560 Start of MODEL 13 Raw file had 423 H/Q atoms Entry Start of MODEL 13 1 1H MET 1 HT2 MET 1 -12.737 1.758 2.160 2 2H MET 1 HT1 MET 1 -14.050 0.779 1.711 3 3H MET 1 HT3 MET 1 -14.205 1.864 3.008 4 HA MET 1 HA MET 1 -13.610 0.268 4.391 5 1HB MET 1 HB2 MET 1 -12.612 -1.470 2.141 6 2HB MET 1 HB1 MET 1 -13.327 -1.961 3.673 7 1HG MET 1 HG2 MET 1 -15.167 -2.228 2.352 8 2HG MET 1 HG1 MET 1 -15.376 -0.548 2.768 9 1HE MET 1 HE2 MET 1 -17.059 -1.544 1.024 10 2HE MET 1 HE1 MET 1 -16.934 -1.074 -0.670 11 3HE MET 1 HE3 MET 1 -16.291 -2.627 -0.137 12 H THR 2 HN THR 2 -11.683 -0.893 5.266 13 HA THR 2 HA THR 2 -9.243 0.668 4.603 14 HB THR 2 HB THR 2 -9.638 -1.204 6.970 15 HG1 THR 2 HG1 THR 2 -10.392 0.680 7.972 16 1HG2 THR 2 HG23 THR 2 -7.371 0.108 6.128 17 2HG2 THR 2 HG22 THR 2 -8.128 1.348 7.122 18 3HG2 THR 2 HG21 THR 2 -7.729 -0.219 7.820 19 OH TYR 3 OH TYR 3 -11.528 0.221 -0.980 20 H TYR 3 HN TYR 3 -7.748 -0.233 3.320 21 HA TYR 3 HA TYR 3 -7.767 -3.192 2.981 22 1HB TYR 3 HB2 TYR 3 -6.069 -1.257 1.403 23 2HB TYR 3 HB1 TYR 3 -6.597 -2.872 0.945 24 HD1 TYR 3 HD1 TYR 3 -7.892 0.551 1.696 25 HD2 TYR 3 HD2 TYR 3 -8.632 -3.171 -0.219 26 HE1 TYR 3 HE1 TYR 3 -9.898 1.489 0.644 27 HE2 TYR 3 HE2 TYR 3 -10.634 -2.232 -1.275 28 HH TYR 3 HH TYR 3 -11.288 1.063 -1.376 29 H LYS 4 HN LYS 4 -5.516 -4.172 2.683 30 HA LYS 4 HA LYS 4 -3.747 -3.155 4.882 31 1HB LYS 4 HB2 LYS 4 -5.025 -5.502 4.912 32 2HB LYS 4 HB1 LYS 4 -3.634 -5.989 3.958 33 1HG LYS 4 HG2 LYS 4 -2.236 -4.791 5.816 34 2HG LYS 4 HG1 LYS 4 -3.699 -4.947 6.781 35 1HD LYS 4 HD2 LYS 4 -3.714 -7.382 6.399 36 2HD LYS 4 HD1 LYS 4 -2.279 -7.246 5.389 37 1HE LYS 4 HE2 LYS 4 -1.865 -5.933 7.949 38 2HE LYS 4 HE1 LYS 4 -2.345 -7.609 8.181 39 1HZ LYS 4 HZ1 LYS 4 -0.600 -8.088 6.388 40 2HZ LYS 4 HZ3 LYS 4 -0.005 -6.539 6.749 41 3HZ LYS 4 HZ2 LYS 4 -0.068 -7.728 7.961 42 H LEU 5 HN LEU 5 -1.925 -2.294 4.093 43 HA LEU 5 HA LEU 5 -0.986 -3.021 1.414 44 1HB LEU 5 HB2 LEU 5 -0.843 -0.684 1.970 45 2HB LEU 5 HB1 LEU 5 -0.051 -1.024 3.499 46 HG LEU 5 HG LEU 5 1.955 -1.895 2.181 47 1HD1 LEU 5 HD12 LEU 5 0.452 -0.643 -0.140 48 2HD1 LEU 5 HD11 LEU 5 2.092 -1.269 -0.198 49 3HD1 LEU 5 HD13 LEU 5 0.745 -2.366 0.050 50 1HD2 LEU 5 HD22 LEU 5 1.719 0.455 3.092 51 2HD2 LEU 5 HD21 LEU 5 2.805 0.302 1.716 52 3HD2 LEU 5 HD23 LEU 5 1.185 0.942 1.488 53 H ILE 6 HN ILE 6 1.067 -3.887 0.968 54 HA ILE 6 HA ILE 6 2.495 -5.156 3.218 55 HB ILE 6 HB ILE 6 1.579 -6.377 0.630 56 1HG1 ILE 6 HG12 ILE 6 1.623 -7.372 3.504 57 2HG1 ILE 6 HG11 ILE 6 0.241 -6.586 2.756 58 1HG2 ILE 6 HG23 ILE 6 3.991 -7.079 2.312 59 2HG2 ILE 6 HG22 ILE 6 3.156 -8.319 1.386 60 3HG2 ILE 6 HG21 ILE 6 3.881 -6.950 0.561 61 1HD1 ILE 6 HD3 ILE 6 0.825 -8.552 0.912 62 2HD1 ILE 6 HD2 ILE 6 1.231 -9.347 2.428 63 3HD1 ILE 6 HD1 ILE 6 -0.385 -8.702 2.179 64 H LEU 7 HN LEU 7 4.274 -3.896 3.288 65 HA LEU 7 HA LEU 7 5.505 -2.856 0.857 66 1HB LEU 7 HB2 LEU 7 6.164 -2.692 3.778 67 2HB LEU 7 HB1 LEU 7 7.286 -2.095 2.563 68 HG LEU 7 HG LEU 7 4.438 -1.271 2.281 69 1HD1 LEU 7 HD11 LEU 7 6.300 -0.169 4.412 70 2HD1 LEU 7 HD13 LEU 7 4.778 0.571 3.929 71 3HD1 LEU 7 HD12 LEU 7 4.781 -1.012 4.700 72 1HD2 LEU 7 HD23 LEU 7 6.227 -0.551 0.713 73 2HD2 LEU 7 HD22 LEU 7 5.526 0.822 1.562 74 3HD2 LEU 7 HD21 LEU 7 7.092 0.189 2.057 75 H ASN 8 HN ASN 8 6.726 -4.064 -0.414 76 HA ASN 8 HA ASN 8 8.324 -6.264 0.808 77 1HB ASN 8 HB2 ASN 8 6.799 -5.938 -1.644 78 2HB ASN 8 HB1 ASN 8 8.435 -6.451 -1.997 79 1HD2 ASN 8 HD22 ASN 8 5.890 -9.180 -0.842 80 2HD2 ASN 8 HD21 ASN 8 5.516 -7.723 -1.618 81 H GLY 9 HN GLY 9 9.200 -3.610 1.135 82 1HA GLY 9 HA2 GLY 9 11.017 -2.713 -0.860 83 2HA GLY 9 HA1 GLY 9 11.129 -2.298 0.841 84 H LYS 10 HN LYS 10 13.035 -3.290 -1.394 85 HA LYS 10 HA LYS 10 14.072 -5.823 -0.516 86 1HB LYS 10 HB2 LYS 10 14.605 -4.869 -2.730 87 2HB LYS 10 HB1 LYS 10 15.490 -3.560 -1.953 88 1HG LYS 10 HG2 LYS 10 17.315 -4.866 -1.659 89 2HG LYS 10 HG1 LYS 10 16.352 -6.160 -0.956 90 1HD LYS 10 HD2 LYS 10 15.686 -6.898 -3.222 91 2HD LYS 10 HD1 LYS 10 16.650 -5.604 -3.926 92 1HE LYS 10 HE2 LYS 10 17.726 -7.836 -2.172 93 2HE LYS 10 HE1 LYS 10 17.893 -7.750 -3.920 94 1HZ LYS 10 HZ2 LYS 10 18.759 -5.350 -2.652 95 2HZ LYS 10 HZ1 LYS 10 19.606 -6.702 -2.072 96 3HZ LYS 10 HZ3 LYS 10 19.587 -6.362 -3.736 97 H THR 11 HN THR 11 14.465 -2.556 0.538 98 HA THR 11 HA THR 11 16.533 -3.418 2.511 99 HB THR 11 HB THR 11 16.705 -0.739 2.644 100 HG1 THR 11 HG1 THR 11 15.414 0.025 1.154 101 1HG2 THR 11 HG23 THR 11 18.523 -2.292 1.796 102 2HG2 THR 11 HG22 THR 11 17.726 -2.274 0.226 103 3HG2 THR 11 HG21 THR 11 18.412 -0.791 0.883 104 H LEU 12 HN LEU 12 13.277 -2.795 2.208 105 HA LEU 12 HA LEU 12 12.995 -2.578 5.123 106 1HB LEU 12 HB2 LEU 12 13.367 -0.208 4.175 107 2HB LEU 12 HB1 LEU 12 11.749 -0.368 3.503 108 HG LEU 12 HG LEU 12 11.195 -1.170 5.995 109 1HD1 LEU 12 HD11 LEU 12 13.733 -0.825 6.496 110 2HD1 LEU 12 HD13 LEU 12 13.340 0.891 6.511 111 3HD1 LEU 12 HD12 LEU 12 12.567 -0.199 7.657 112 1HD2 LEU 12 HD21 LEU 12 11.575 1.718 5.129 113 2HD2 LEU 12 HD23 LEU 12 10.142 0.734 4.847 114 3HD2 LEU 12 HD22 LEU 12 10.582 1.198 6.488 115 H LYS 13 HN LYS 13 11.616 -4.260 5.307 116 HA LYS 13 HA LYS 13 9.221 -4.351 3.531 117 1HB LYS 13 HB2 LYS 13 10.309 -6.437 5.443 118 2HB LYS 13 HB1 LYS 13 8.931 -6.653 4.376 119 1HG LYS 13 HG2 LYS 13 10.539 -7.522 2.979 120 2HG LYS 13 HG1 LYS 13 10.747 -5.830 2.556 121 1HD LYS 13 HD2 LYS 13 12.948 -6.403 3.055 122 2HD LYS 13 HD1 LYS 13 12.409 -5.851 4.634 123 1HE LYS 13 HE2 LYS 13 11.814 -8.218 5.208 124 2HE LYS 13 HE1 LYS 13 12.485 -8.726 3.663 125 1HZ LYS 13 HZ2 LYS 13 14.054 -7.190 5.643 126 2HZ LYS 13 HZ1 LYS 13 13.997 -8.886 5.642 127 3HZ LYS 13 HZ3 LYS 13 14.622 -8.056 4.298 128 H GLY 14 HN GLY 14 7.183 -4.082 4.354 129 1HA GLY 14 HA2 GLY 14 6.786 -4.080 7.275 130 2HA GLY 14 HA1 GLY 14 6.560 -2.525 6.483 131 H GLU 15 HN GLU 15 4.367 -2.776 7.377 132 HA GLU 15 HA GLU 15 2.486 -3.557 5.377 133 1HB GLU 15 HB2 GLU 15 1.417 -5.382 6.933 134 2HB GLU 15 HB1 GLU 15 2.748 -5.826 5.869 135 1HG GLU 15 HG2 GLU 15 4.257 -6.012 7.613 136 2HG GLU 15 HG1 GLU 15 3.459 -4.769 8.574 137 H THR 16 HN THR 16 0.821 -2.210 5.712 138 HA THR 16 HA THR 16 -0.124 -1.730 8.479 139 HB THR 16 HB THR 16 1.540 0.082 8.143 140 HG1 THR 16 HG1 THR 16 -0.411 0.528 9.225 141 1HG2 THR 16 HG23 THR 16 0.595 0.043 5.474 142 2HG2 THR 16 HG22 THR 16 -0.011 1.546 6.161 143 3HG2 THR 16 HG21 THR 16 1.718 1.209 6.163 144 H THR 17 HN THR 17 -2.154 -0.338 8.429 145 HA THR 17 HA THR 17 -3.713 -0.922 5.932 146 HB THR 17 HB THR 17 -5.576 -1.628 7.237 147 HG1 THR 17 HG1 THR 17 -5.537 0.181 8.601 148 1HG2 THR 17 HG23 THR 17 -3.176 -2.897 7.759 149 2HG2 THR 17 HG22 THR 17 -3.675 -2.403 9.373 150 3HG2 THR 17 HG21 THR 17 -4.726 -3.428 8.400 151 H THR 18 HN THR 18 -4.968 0.689 5.128 152 HA THR 18 HA THR 18 -5.143 3.225 6.714 153 HB THR 18 HB THR 18 -3.439 3.177 4.699 154 HG1 THR 18 HG1 THR 18 -5.412 4.940 5.553 155 1HG2 THR 18 HG23 THR 18 -5.437 2.272 3.189 156 2HG2 THR 18 HG22 THR 18 -5.929 3.962 3.194 157 3HG2 THR 18 HG21 THR 18 -4.355 3.505 2.549 158 H GLU 19 HN GLU 19 -7.046 4.367 6.544 159 HA GLU 19 HA GLU 19 -9.344 2.848 5.504 160 1HB GLU 19 HB2 GLU 19 -9.240 5.528 6.914 161 2HB GLU 19 HB1 GLU 19 -10.693 4.588 6.598 162 1HG GLU 19 HG2 GLU 19 -9.955 2.810 8.050 163 2HG GLU 19 HG1 GLU 19 -8.343 3.510 8.185 164 H ALA 20 HN ALA 20 -10.169 3.157 3.534 165 HA ALA 20 HA ALA 20 -9.932 5.845 2.272 166 1HB ALA 20 HB2 ALA 20 -8.665 3.342 1.372 167 2HB ALA 20 HB1 ALA 20 -9.562 4.193 0.119 168 3HB ALA 20 HB3 ALA 20 -8.261 5.008 0.979 169 H VAL 21 HN VAL 21 -11.573 6.331 0.800 170 HA VAL 21 HA VAL 21 -14.005 4.696 1.129 171 HB VAL 21 HB VAL 21 -14.064 7.186 1.321 172 1HG1 VAL 21 HG13 VAL 21 -12.346 7.490 -0.547 173 2HG1 VAL 21 HG12 VAL 21 -13.651 7.164 -1.684 174 3HG1 VAL 21 HG11 VAL 21 -13.739 8.565 -0.621 175 1HG2 VAL 21 HG23 VAL 21 -16.058 5.787 0.624 176 2HG2 VAL 21 HG22 VAL 21 -16.112 7.452 0.053 177 3HG2 VAL 21 HG21 VAL 21 -15.657 6.156 -1.050 178 H ASP 22 HN ASP 22 -11.496 5.094 -1.139 179 HA ASP 22 HA ASP 22 -12.887 3.271 -3.004 180 1HB ASP 22 HB2 ASP 22 -12.590 4.679 -4.939 181 2HB ASP 22 HB1 ASP 22 -13.418 5.640 -3.714 182 H ALA 23 HN ALA 23 -11.383 2.518 -4.739 183 HA ALA 23 HA ALA 23 -8.855 1.746 -3.565 184 1HB ALA 23 HB3 ALA 23 -10.261 1.277 -6.152 185 2HB ALA 23 HB2 ALA 23 -8.523 1.004 -6.112 186 3HB ALA 23 HB1 ALA 23 -9.580 0.112 -5.021 187 H ALA 24 HN ALA 24 -9.856 4.196 -5.857 188 HA ALA 24 HA ALA 24 -7.308 4.864 -6.928 189 1HB ALA 24 HB3 ALA 24 -9.884 5.815 -7.219 190 2HB ALA 24 HB2 ALA 24 -9.051 7.170 -6.463 191 3HB ALA 24 HB1 ALA 24 -8.454 6.504 -7.980 192 H THR 25 HN THR 25 -9.062 6.554 -4.325 193 HA THR 25 HA THR 25 -6.876 8.178 -3.522 194 HB THR 25 HB THR 25 -9.387 8.330 -2.791 195 HG1 THR 25 HG1 THR 25 -7.126 9.228 -1.951 196 1HG2 THR 25 HG22 THR 25 -9.018 5.928 -1.622 197 2HG2 THR 25 HG21 THR 25 -8.374 6.942 -0.333 198 3HG2 THR 25 HG23 THR 25 -10.035 7.156 -0.874 199 H ALA 26 HN ALA 26 -7.594 4.845 -2.873 200 HA ALA 26 HA ALA 26 -5.878 4.561 -0.567 201 1HB ALA 26 HB2 ALA 26 -7.628 2.898 -1.163 202 2HB ALA 26 HB1 ALA 26 -6.698 2.459 -2.592 203 3HB ALA 26 HB3 ALA 26 -6.045 2.149 -0.987 204 H GLU 27 HN GLU 27 -5.394 4.308 -4.041 205 HA GLU 27 HA GLU 27 -2.752 3.225 -3.985 206 1HB GLU 27 HB2 GLU 27 -4.209 4.957 -5.990 207 2HB GLU 27 HB1 GLU 27 -2.590 4.343 -6.273 208 1HG GLU 27 HG2 GLU 27 -3.492 2.012 -5.835 209 2HG GLU 27 HG1 GLU 27 -5.106 2.717 -5.824 210 H LYS 28 HN LYS 28 -3.987 6.516 -3.799 211 HA LYS 28 HA LYS 28 -1.289 7.668 -3.834 212 1HB LYS 28 HB2 LYS 28 -3.666 9.248 -2.970 213 2HB LYS 28 HB1 LYS 28 -2.324 9.722 -4.007 214 1HG LYS 28 HG2 LYS 28 -3.222 8.084 -5.736 215 2HG LYS 28 HG1 LYS 28 -4.653 7.918 -4.727 216 1HD LYS 28 HD2 LYS 28 -5.133 10.296 -4.918 217 2HD LYS 28 HD1 LYS 28 -3.619 10.571 -5.773 218 1HE LYS 28 HE2 LYS 28 -5.812 8.733 -6.783 219 2HE LYS 28 HE1 LYS 28 -5.640 10.410 -7.284 220 1HZ LYS 28 HZ1 LYS 28 -3.267 9.739 -7.880 221 2HZ LYS 28 HZ3 LYS 28 -3.832 8.140 -7.793 222 3HZ LYS 28 HZ2 LYS 28 -4.522 9.226 -8.902 223 H VAL 29 HN VAL 29 -3.845 7.097 -1.462 224 HA VAL 29 HA VAL 29 -2.679 8.427 0.747 225 HB VAL 29 HB VAL 29 -4.401 5.945 0.613 226 1HG1 VAL 29 HG13 VAL 29 -3.215 7.434 2.943 227 2HG1 VAL 29 HG12 VAL 29 -4.813 6.713 3.103 228 3HG1 VAL 29 HG11 VAL 29 -3.424 5.699 2.729 229 1HG2 VAL 29 HG21 VAL 29 -5.069 8.480 -0.006 230 2HG2 VAL 29 HG23 VAL 29 -6.193 7.392 0.802 231 3HG2 VAL 29 HG22 VAL 29 -5.276 8.567 1.740 232 H PHE 30 HN PHE 30 -2.461 4.954 -0.039 233 HA PHE 30 HA PHE 30 -0.485 4.347 1.917 234 1HB PHE 30 HB2 PHE 30 -1.390 3.060 -0.634 235 2HB PHE 30 HB1 PHE 30 0.096 2.483 0.109 236 HD1 PHE 30 HD1 PHE 30 -0.183 2.256 2.849 237 HD2 PHE 30 HD2 PHE 30 -3.310 1.876 -0.024 238 HE1 PHE 30 HE1 PHE 30 -1.511 0.953 4.455 239 HE2 PHE 30 HE2 PHE 30 -4.613 0.555 1.581 240 HZ PHE 30 HZ PHE 30 -3.712 0.073 3.811 241 H LYS 31 HN LYS 31 -0.162 5.291 -1.489 242 HA LYS 31 HA LYS 31 2.638 5.085 -1.732 243 1HB LYS 31 HB2 LYS 31 1.184 5.597 -3.634 244 2HB LYS 31 HB1 LYS 31 0.797 7.162 -2.934 245 1HG LYS 31 HG2 LYS 31 3.694 6.638 -3.153 246 2HG LYS 31 HG1 LYS 31 2.871 6.686 -4.705 247 1HD LYS 31 HD2 LYS 31 2.346 8.846 -2.662 248 2HD LYS 31 HD1 LYS 31 3.778 8.922 -3.676 249 1HE LYS 31 HE2 LYS 31 2.373 8.760 -5.701 250 2HE LYS 31 HE1 LYS 31 0.931 8.671 -4.702 251 1HZ LYS 31 HZ2 LYS 31 2.828 10.939 -4.601 252 2HZ LYS 31 HZ1 LYS 31 1.462 10.910 -5.610 253 3HZ LYS 31 HZ3 LYS 31 1.273 10.854 -3.923 254 H GLN 32 HN GLN 32 0.674 7.591 -0.263 255 HA GLN 32 HA GLN 32 2.793 9.488 0.140 256 1HB GLN 32 HB2 GLN 32 0.310 9.945 0.353 257 2HB GLN 32 HB1 GLN 32 0.358 9.101 1.897 258 1HG GLN 32 HG2 GLN 32 2.087 10.692 2.702 259 2HG GLN 32 HG1 GLN 32 2.011 11.543 1.162 260 1HE2 GLN 32 HE22 GLN 32 -0.918 13.317 1.994 261 2HE2 GLN 32 HE21 GLN 32 0.291 13.019 0.839 262 OH TYR 33 OH TYR 33 4.980 2.627 8.191 263 H TYR 33 HN TYR 33 1.713 6.657 1.860 264 HA TYR 33 HA TYR 33 3.302 7.173 4.241 265 1HB TYR 33 HB2 TYR 33 1.319 5.743 4.382 266 2HB TYR 33 HB1 TYR 33 2.021 4.627 3.215 267 HD1 TYR 33 HD1 TYR 33 4.101 3.364 3.813 268 HD2 TYR 33 HD2 TYR 33 2.003 5.690 6.689 269 HE1 TYR 33 HE1 TYR 33 5.283 2.200 5.613 270 HE2 TYR 33 HE2 TYR 33 3.186 4.525 8.493 271 HH TYR 33 HH TYR 33 5.073 1.706 7.938 272 H ALA 34 HN ALA 34 3.567 4.758 1.644 273 HA ALA 34 HA ALA 34 6.080 3.706 2.281 274 1HB ALA 34 HB3 ALA 34 4.350 3.380 0.197 275 2HB ALA 34 HB2 ALA 34 5.673 4.224 -0.602 276 3HB ALA 34 HB1 ALA 34 5.975 2.705 0.234 277 H ASN 35 HN ASN 35 5.277 6.769 0.821 278 HA ASN 35 HA ASN 35 7.836 7.489 -0.190 279 1HB ASN 35 HB2 ASN 35 5.933 8.857 -0.745 280 2HB ASN 35 HB1 ASN 35 5.596 9.172 0.954 281 1HD2 ASN 35 HD22 ASN 35 7.672 11.993 0.998 282 2HD2 ASN 35 HD21 ASN 35 6.337 11.166 1.641 283 H ASP 36 HN ASP 36 6.363 8.249 2.955 284 HA ASP 36 HA ASP 36 8.644 9.486 4.103 285 1HB ASP 36 HB2 ASP 36 6.334 7.971 5.329 286 2HB ASP 36 HB1 ASP 36 7.570 8.760 6.307 287 H ASN 37 HN ASN 37 8.242 6.318 3.108 288 HA ASN 37 HA ASN 37 10.264 5.281 5.051 289 1HB ASN 37 HB2 ASN 37 8.199 3.948 3.313 290 2HB ASN 37 HB1 ASN 37 9.564 3.035 3.951 291 1HD2 ASN 37 HD22 ASN 37 6.811 4.559 6.607 292 2HD2 ASN 37 HD21 ASN 37 7.028 5.326 5.109 293 H GLY 38 HN GLY 38 9.668 5.976 1.698 294 1HA GLY 38 HA2 GLY 38 11.479 6.416 0.146 295 2HA GLY 38 HA1 GLY 38 12.527 5.395 1.126 296 H VAL 39 HN VAL 39 9.536 3.949 0.770 297 HA VAL 39 HA VAL 39 10.652 2.074 -1.240 298 HB VAL 39 HB VAL 39 8.158 1.862 0.468 299 1HG1 VAL 39 HG11 VAL 39 9.590 -0.072 -1.378 300 2HG1 VAL 39 HG13 VAL 39 8.401 -0.585 -0.185 301 3HG1 VAL 39 HG12 VAL 39 7.924 0.485 -1.500 302 1HG2 VAL 39 HG21 VAL 39 10.954 0.714 0.760 303 2HG2 VAL 39 HG23 VAL 39 10.163 1.844 1.853 304 3HG2 VAL 39 HG22 VAL 39 9.572 0.191 1.717 305 H ASP 40 HN ASP 40 10.159 2.412 -3.311 306 HA ASP 40 HA ASP 40 7.395 2.879 -4.123 307 1HB ASP 40 HB2 ASP 40 9.403 5.078 -4.093 308 2HB ASP 40 HB1 ASP 40 8.345 4.975 -5.498 309 H GLY 41 HN GLY 41 7.043 2.286 -6.231 310 1HA GLY 41 HA2 GLY 41 8.769 2.258 -8.401 311 2HA GLY 41 HA1 GLY 41 9.160 0.774 -7.534 312 H GLU 42 HN GLU 42 7.660 -0.899 -7.477 313 HA GLU 42 HA GLU 42 5.495 -0.683 -9.514 314 1HB GLU 42 HB2 GLU 42 6.529 -3.165 -8.157 315 2HB GLU 42 HB1 GLU 42 5.567 -3.078 -9.626 316 1HG GLU 42 HG2 GLU 42 7.601 -3.202 -10.675 317 2HG GLU 42 HG1 GLU 42 7.690 -1.483 -10.300 318 CH2 TRP 43 CH2 TRP 43 2.122 2.526 -2.184 319 H TRP 43 HN TRP 43 3.411 -0.692 -8.916 320 HA TRP 43 HA TRP 43 2.783 -1.340 -6.056 321 1HB TRP 43 HB2 TRP 43 1.777 0.783 -7.918 322 2HB TRP 43 HB1 TRP 43 0.793 0.258 -6.563 323 HD1 TRP 43 HD1 TRP 43 4.400 1.464 -7.259 324 HE1 TRP 43 HE1 TRP 43 5.102 2.809 -5.219 325 HE3 TRP 43 HE3 TRP 43 0.404 0.680 -4.401 326 HZ2 TRP 43 HZ2 TRP 43 4.042 3.395 -2.516 327 HZ3 TRP 43 HZ3 TRP 43 0.229 1.547 -2.123 328 HH2 TRP 43 HH2 TRP 43 2.044 2.898 -1.173 329 H THR 44 HN THR 44 1.154 -2.714 -5.626 330 HA THR 44 HA THR 44 -0.458 -3.724 -7.943 331 HB THR 44 HB THR 44 -0.387 -5.974 -6.590 332 HG1 THR 44 HG1 THR 44 2.047 -5.389 -5.681 333 1HG2 THR 44 HG21 THR 44 2.087 -4.797 -7.915 334 2HG2 THR 44 HG23 THR 44 1.931 -6.495 -7.471 335 3HG2 THR 44 HG22 THR 44 0.869 -5.801 -8.694 336 OH TYR 45 OH TYR 45 -8.871 -1.228 -3.047 337 H TYR 45 HN TYR 45 -2.429 -4.929 -7.195 338 HA TYR 45 HA TYR 45 -3.581 -3.891 -4.652 339 1HB TYR 45 HB2 TYR 45 -4.099 -2.410 -6.722 340 2HB TYR 45 HB1 TYR 45 -5.123 -3.745 -7.253 341 HD1 TYR 45 HD1 TYR 45 -6.640 -4.651 -4.956 342 HD2 TYR 45 HD2 TYR 45 -5.346 -0.696 -5.817 343 HE1 TYR 45 HE1 TYR 45 -8.377 -3.764 -3.490 344 HE2 TYR 45 HE2 TYR 45 -7.133 0.188 -4.406 345 HH TYR 45 HH TYR 45 -8.779 -0.274 -3.020 346 H ASP 46 HN ASP 46 -4.626 -5.492 -3.621 347 HA ASP 46 HA ASP 46 -5.357 -7.943 -5.179 348 1HB ASP 46 HB2 ASP 46 -3.661 -8.012 -3.219 349 2HB ASP 46 HB1 ASP 46 -5.073 -7.815 -2.187 350 H ASP 47 HN ASP 47 -7.382 -6.853 -5.794 351 HA ASP 47 HA ASP 47 -9.307 -6.049 -3.797 352 1HB ASP 47 HB2 ASP 47 -9.314 -5.354 -6.231 353 2HB ASP 47 HB1 ASP 47 -9.907 -6.967 -6.617 354 H ALA 48 HN ALA 48 -8.104 -9.036 -4.472 355 HA ALA 48 HA ALA 48 -10.597 -10.560 -4.274 356 1HB ALA 48 HB2 ALA 48 -8.054 -11.132 -5.187 357 2HB ALA 48 HB1 ALA 48 -8.116 -11.997 -3.655 358 3HB ALA 48 HB3 ALA 48 -9.318 -12.322 -4.899 359 H THR 49 HN THR 49 -8.268 -9.222 -2.112 360 HA THR 49 HA THR 49 -9.813 -10.320 0.178 361 HB THR 49 HB THR 49 -7.879 -11.185 1.306 362 HG1 THR 49 HG1 THR 49 -5.986 -10.440 -0.460 363 1HG2 THR 49 HG22 THR 49 -8.474 -12.453 -0.901 364 2HG2 THR 49 HG21 THR 49 -7.071 -11.630 -1.579 365 3HG2 THR 49 HG23 THR 49 -6.875 -12.730 -0.218 366 H LYS 50 HN LYS 50 -9.101 -7.681 -1.311 367 HA LYS 50 HA LYS 50 -8.741 -5.442 -0.710 368 1HB LYS 50 HB2 LYS 50 -9.924 -6.625 1.800 369 2HB LYS 50 HB1 LYS 50 -9.521 -4.917 1.685 370 1HG LYS 50 HG2 LYS 50 -11.882 -5.297 1.059 371 2HG LYS 50 HG1 LYS 50 -10.958 -4.709 -0.320 372 1HD LYS 50 HD2 LYS 50 -10.946 -6.804 -1.372 373 2HD LYS 50 HD1 LYS 50 -11.206 -7.674 0.136 374 1HE LYS 50 HE2 LYS 50 -13.201 -7.366 -1.576 375 2HE LYS 50 HE1 LYS 50 -13.496 -7.236 0.152 376 1HZ LYS 50 HZ1 LYS 50 -12.680 -4.738 -0.862 377 2HZ LYS 50 HZ3 LYS 50 -13.972 -5.328 -1.792 378 3HZ LYS 50 HZ2 LYS 50 -14.143 -5.160 -0.110 379 H THR 51 HN THR 51 -6.421 -6.562 -0.874 380 HA THR 51 HA THR 51 -4.915 -5.608 1.531 381 HB THR 51 HB THR 51 -4.452 -8.224 0.013 382 HG1 THR 51 HG1 THR 51 -5.224 -7.453 2.637 383 1HG2 THR 51 HG23 THR 51 -2.466 -6.708 1.254 384 2HG2 THR 51 HG22 THR 51 -3.039 -7.746 2.550 385 3HG2 THR 51 HG21 THR 51 -2.427 -8.452 1.061 386 H PHE 52 HN PHE 52 -3.679 -3.928 0.816 387 HA PHE 52 HA PHE 52 -3.012 -3.670 -2.010 388 1HB PHE 52 HB2 PHE 52 -3.006 -1.981 0.323 389 2HB PHE 52 HB1 PHE 52 -1.484 -1.845 -0.543 390 HD1 PHE 52 HD1 PHE 52 -1.484 -1.179 -2.975 391 HD2 PHE 52 HD2 PHE 52 -5.044 -1.232 -0.676 392 HE1 PHE 52 HE1 PHE 52 -2.633 0.154 -4.698 393 HE2 PHE 52 HE2 PHE 52 -6.141 0.209 -2.305 394 HZ PHE 52 HZ PHE 52 -4.922 0.949 -4.298 395 H THR 53 HN THR 53 -0.727 -3.377 -2.719 396 HA THR 53 HA THR 53 1.357 -4.455 -0.972 397 HB THR 53 HB THR 53 0.465 -6.031 -3.414 398 HG1 THR 53 HG1 THR 53 0.026 -7.527 -1.718 399 1HG2 THR 53 HG23 THR 53 2.968 -5.951 -1.860 400 2HG2 THR 53 HG22 THR 53 2.206 -7.539 -1.844 401 3HG2 THR 53 HG21 THR 53 2.637 -6.784 -3.376 402 H VAL 54 HN VAL 54 3.341 -3.764 -1.574 403 HA VAL 54 HA VAL 54 3.712 -2.724 -4.342 404 HB VAL 54 HB VAL 54 3.066 -0.826 -2.799 405 1HG1 VAL 54 HG13 VAL 54 4.259 -1.903 -0.825 406 2HG1 VAL 54 HG12 VAL 54 5.766 -1.330 -1.531 407 3HG1 VAL 54 HG11 VAL 54 4.533 -0.179 -1.027 408 1HG2 VAL 54 HG21 VAL 54 5.858 -0.870 -3.979 409 2HG2 VAL 54 HG23 VAL 54 4.392 -0.280 -4.738 410 3HG2 VAL 54 HG22 VAL 54 5.089 0.589 -3.383 411 H THR 55 HN THR 55 5.922 -2.728 -4.990 412 HA THR 55 HA THR 55 7.874 -3.904 -3.075 413 HB THR 55 HB THR 55 7.272 -5.149 -5.791 414 HG1 THR 55 HG1 THR 55 6.206 -6.585 -4.565 415 1HG2 THR 55 HG21 THR 55 9.470 -5.422 -3.813 416 2HG2 THR 55 HG23 THR 55 8.693 -6.940 -4.256 417 3HG2 THR 55 HG22 THR 55 9.424 -5.929 -5.496 418 H GLU 56 HN GLU 56 9.662 -2.702 -3.179 419 HA GLU 56 HA GLU 56 10.164 -0.764 -5.221 420 1HB GLU 56 HB2 GLU 56 11.242 -1.368 -2.736 421 2HB GLU 56 HB1 GLU 56 12.566 -1.709 -3.838 422 1HG GLU 56 HG2 GLU 56 10.966 0.876 -3.777 423 2HG GLU 56 HG1 GLU 56 12.577 0.667 -3.103 Start of MODEL 14 Raw file had 423 H/Q atoms Entry Start of MODEL 14 1 1H MET 1 HT2 MET 1 -13.571 1.270 5.170 2 2H MET 1 HT1 MET 1 -14.224 1.948 3.756 3 3H MET 1 HT3 MET 1 -14.971 0.603 4.478 4 HA MET 1 HA MET 1 -13.491 -0.870 3.657 5 1HB MET 1 HB2 MET 1 -12.759 1.232 1.650 6 2HB MET 1 HB1 MET 1 -13.187 -0.456 1.389 7 1HG MET 1 HG2 MET 1 -15.131 0.567 0.703 8 2HG MET 1 HG1 MET 1 -15.497 0.261 2.379 9 1HE MET 1 HE2 MET 1 -17.514 1.738 1.619 10 2HE MET 1 HE1 MET 1 -17.100 1.833 3.329 11 3HE MET 1 HE3 MET 1 -17.528 3.296 2.444 12 H THR 2 HN THR 2 -11.739 -1.331 4.860 13 HA THR 2 HA THR 2 -9.363 0.479 4.625 14 HB THR 2 HB THR 2 -9.686 -1.553 6.840 15 HG1 THR 2 HG1 THR 2 -11.577 -0.282 6.739 16 1HG2 THR 2 HG22 THR 2 -7.606 0.059 6.323 17 2HG2 THR 2 HG21 THR 2 -8.649 1.257 7.084 18 3HG2 THR 2 HG23 THR 2 -8.161 -0.180 7.976 19 OH TYR 3 OH TYR 3 -11.615 0.398 -0.872 20 H TYR 3 HN TYR 3 -7.880 -0.309 3.275 21 HA TYR 3 HA TYR 3 -7.742 -3.252 2.856 22 1HB TYR 3 HB2 TYR 3 -6.128 -1.220 1.339 23 2HB TYR 3 HB1 TYR 3 -6.662 -2.809 0.815 24 HD1 TYR 3 HD1 TYR 3 -7.891 0.595 1.693 25 HD2 TYR 3 HD2 TYR 3 -8.775 -3.077 -0.267 26 HE1 TYR 3 HE1 TYR 3 -9.909 1.595 0.723 27 HE2 TYR 3 HE2 TYR 3 -10.781 -2.060 -1.251 28 HH TYR 3 HH TYR 3 -11.699 0.082 -1.775 29 H LYS 4 HN LYS 4 -5.546 -4.212 2.681 30 HA LYS 4 HA LYS 4 -3.786 -3.106 4.825 31 1HB LYS 4 HB2 LYS 4 -4.922 -5.457 4.964 32 2HB LYS 4 HB1 LYS 4 -3.684 -5.939 3.826 33 1HG LYS 4 HG2 LYS 4 -2.268 -4.504 5.777 34 2HG LYS 4 HG1 LYS 4 -3.441 -5.435 6.697 35 1HD LYS 4 HD2 LYS 4 -1.588 -6.594 4.581 36 2HD LYS 4 HD1 LYS 4 -1.298 -6.673 6.313 37 1HE LYS 4 HE2 LYS 4 -2.687 -8.438 6.530 38 2HE LYS 4 HE1 LYS 4 -3.987 -7.580 5.717 39 1HZ LYS 4 HZ1 LYS 4 -1.809 -8.603 4.065 40 2HZ LYS 4 HZ3 LYS 4 -2.895 -9.735 4.713 41 3HZ LYS 4 HZ2 LYS 4 -3.468 -8.480 3.722 42 H LEU 5 HN LEU 5 -1.944 -2.213 4.109 43 HA LEU 5 HA LEU 5 -0.983 -2.855 1.408 44 1HB LEU 5 HB2 LEU 5 -0.867 -0.533 2.032 45 2HB LEU 5 HB1 LEU 5 -0.075 -0.904 3.556 46 HG LEU 5 HG LEU 5 1.934 -1.733 2.211 47 1HD1 LEU 5 HD12 LEU 5 0.361 -0.480 -0.064 48 2HD1 LEU 5 HD11 LEU 5 2.044 -0.982 -0.161 49 3HD1 LEU 5 HD13 LEU 5 0.782 -2.183 0.076 50 1HD2 LEU 5 HD23 LEU 5 1.663 0.608 3.174 51 2HD2 LEU 5 HD22 LEU 5 2.793 0.461 1.833 52 3HD2 LEU 5 HD21 LEU 5 1.184 1.116 1.560 53 H ILE 6 HN ILE 6 1.089 -3.711 0.970 54 HA ILE 6 HA ILE 6 2.483 -5.022 3.226 55 HB ILE 6 HB ILE 6 2.057 -6.244 0.495 56 1HG1 ILE 6 HG12 ILE 6 0.766 -6.905 3.164 57 2HG1 ILE 6 HG11 ILE 6 -0.047 -6.130 1.808 58 1HG2 ILE 6 HG22 ILE 6 3.944 -6.752 2.556 59 2HG2 ILE 6 HG21 ILE 6 2.779 -8.069 2.605 60 3HG2 ILE 6 HG23 ILE 6 3.647 -7.718 1.114 61 1HD1 ILE 6 HD1 ILE 6 1.206 -8.430 0.741 62 2HD1 ILE 6 HD3 ILE 6 0.456 -8.948 2.247 63 3HD1 ILE 6 HD2 ILE 6 -0.515 -8.186 0.996 64 H LEU 7 HN LEU 7 4.261 -3.761 3.350 65 HA LEU 7 HA LEU 7 5.539 -2.692 0.957 66 1HB LEU 7 HB2 LEU 7 6.161 -2.594 3.895 67 2HB LEU 7 HB1 LEU 7 7.304 -1.985 2.703 68 HG LEU 7 HG LEU 7 4.462 -1.115 2.423 69 1HD1 LEU 7 HD13 LEU 7 6.354 -0.045 4.547 70 2HD1 LEU 7 HD12 LEU 7 4.819 0.690 4.096 71 3HD1 LEU 7 HD11 LEU 7 4.845 -0.900 4.851 72 1HD2 LEU 7 HD21 LEU 7 6.297 -0.424 0.866 73 2HD2 LEU 7 HD23 LEU 7 5.564 0.950 1.689 74 3HD2 LEU 7 HD22 LEU 7 7.125 0.335 2.223 75 H ASN 8 HN ASN 8 6.619 -4.050 -0.330 76 HA ASN 8 HA ASN 8 8.295 -6.169 0.936 77 1HB ASN 8 HB2 ASN 8 6.671 -5.982 -1.479 78 2HB ASN 8 HB1 ASN 8 8.281 -6.570 -1.828 79 1HD2 ASN 8 HD22 ASN 8 5.713 -9.143 -0.451 80 2HD2 ASN 8 HD21 ASN 8 5.379 -7.763 -1.370 81 H GLY 9 HN GLY 9 9.143 -3.498 1.043 82 1HA GLY 9 HA2 GLY 9 10.875 -2.766 -1.103 83 2HA GLY 9 HA1 GLY 9 11.005 -2.156 0.537 84 H LYS 10 HN LYS 10 13.009 -3.142 -1.483 85 HA LYS 10 HA LYS 10 14.098 -5.615 -0.417 86 1HB LYS 10 HB2 LYS 10 16.037 -5.125 -1.839 87 2HB LYS 10 HB1 LYS 10 14.544 -4.856 -2.733 88 1HG LYS 10 HG2 LYS 10 14.706 -2.409 -2.045 89 2HG LYS 10 HG1 LYS 10 16.326 -2.765 -1.455 90 1HD LYS 10 HD2 LYS 10 15.344 -3.208 -4.295 91 2HD LYS 10 HD1 LYS 10 16.410 -1.909 -3.773 92 1HE LYS 10 HE2 LYS 10 17.972 -3.472 -4.513 93 2HE LYS 10 HE1 LYS 10 17.860 -3.907 -2.812 94 1HZ LYS 10 HZ1 LYS 10 15.886 -5.199 -4.443 95 2HZ LYS 10 HZ3 LYS 10 17.477 -5.586 -4.895 96 3HZ LYS 10 HZ2 LYS 10 16.956 -5.859 -3.301 97 H THR 11 HN THR 11 14.524 -2.215 0.206 98 HA THR 11 HA THR 11 16.742 -2.769 2.088 99 HB THR 11 HB THR 11 16.424 -0.104 2.310 100 HG1 THR 11 HG1 THR 11 14.461 -0.509 0.959 101 1HG2 THR 11 HG21 THR 11 17.708 -1.767 0.168 102 2HG2 THR 11 HG23 THR 11 17.577 -0.035 -0.120 103 3HG2 THR 11 HG22 THR 11 18.460 -0.630 1.282 104 H LEU 12 HN LEU 12 13.404 -2.670 2.081 105 HA LEU 12 HA LEU 12 13.284 -2.810 4.986 106 1HB LEU 12 HB2 LEU 12 13.456 -0.311 4.458 107 2HB LEU 12 HB1 LEU 12 11.852 -0.458 3.749 108 HG LEU 12 HG LEU 12 11.416 -1.718 6.108 109 1HD1 LEU 12 HD13 LEU 12 13.791 -1.250 6.805 110 2HD1 LEU 12 HD12 LEU 12 13.427 0.471 6.732 111 3HD1 LEU 12 HD11 LEU 12 12.597 -0.556 7.897 112 1HD2 LEU 12 HD23 LEU 12 11.287 1.206 5.362 113 2HD2 LEU 12 HD22 LEU 12 9.972 0.038 5.441 114 3HD2 LEU 12 HD21 LEU 12 10.701 0.645 6.924 115 H LYS 13 HN LYS 13 11.425 -3.788 5.672 116 HA LYS 13 HA LYS 13 9.249 -4.179 3.654 117 1HB LYS 13 HB2 LYS 13 10.433 -6.264 5.502 118 2HB LYS 13 HB1 LYS 13 9.000 -6.507 4.512 119 1HG LYS 13 HG2 LYS 13 10.235 -6.336 2.489 120 2HG LYS 13 HG1 LYS 13 11.616 -5.603 3.297 121 1HD LYS 13 HD2 LYS 13 10.809 -8.285 4.291 122 2HD LYS 13 HD1 LYS 13 11.498 -8.243 2.672 123 1HE LYS 13 HE2 LYS 13 12.791 -6.897 5.060 124 2HE LYS 13 HE1 LYS 13 13.194 -8.529 4.543 125 1HZ LYS 13 HZ3 LYS 13 13.591 -7.455 2.278 126 2HZ LYS 13 HZ2 LYS 13 13.636 -5.983 3.124 127 3HZ LYS 13 HZ1 LYS 13 14.752 -7.209 3.491 128 H GLY 14 HN GLY 14 7.179 -4.086 4.446 129 1HA GLY 14 HA2 GLY 14 6.647 -4.221 7.312 130 2HA GLY 14 HA1 GLY 14 6.529 -2.587 6.668 131 H GLU 15 HN GLU 15 4.272 -2.815 7.394 132 HA GLU 15 HA GLU 15 2.503 -3.325 5.209 133 1HB GLU 15 HB2 GLU 15 1.245 -5.224 6.492 134 2HB GLU 15 HB1 GLU 15 2.658 -5.644 5.530 135 1HG GLU 15 HG2 GLU 15 4.028 -5.905 7.419 136 2HG GLU 15 HG1 GLU 15 3.005 -4.883 8.424 137 H THR 16 HN THR 16 0.845 -1.968 5.551 138 HA THR 16 HA THR 16 -0.180 -1.602 8.309 139 HB THR 16 HB THR 16 1.338 0.234 8.296 140 HG1 THR 16 HG1 THR 16 -0.634 1.042 8.803 141 1HG2 THR 16 HG21 THR 16 0.378 0.788 5.463 142 2HG2 THR 16 HG23 THR 16 1.528 1.772 6.359 143 3HG2 THR 16 HG22 THR 16 1.960 0.136 5.872 144 H THR 17 HN THR 17 -2.297 -0.780 8.410 145 HA THR 17 HA THR 17 -3.783 -1.010 5.834 146 HB THR 17 HB THR 17 -5.690 -1.724 7.128 147 HG1 THR 17 HG1 THR 17 -5.635 -0.196 8.722 148 1HG2 THR 17 HG22 THR 17 -3.281 -3.102 7.396 149 2HG2 THR 17 HG21 THR 17 -3.772 -2.842 9.067 150 3HG2 THR 17 HG23 THR 17 -4.843 -3.693 7.957 151 H THR 18 HN THR 18 -5.135 0.585 5.143 152 HA THR 18 HA THR 18 -5.340 3.047 6.829 153 HB THR 18 HB THR 18 -3.612 3.131 4.838 154 HG1 THR 18 HG1 THR 18 -5.422 5.159 4.535 155 1HG2 THR 18 HG23 THR 18 -5.593 2.249 3.273 156 2HG2 THR 18 HG22 THR 18 -6.081 3.939 3.321 157 3HG2 THR 18 HG21 THR 18 -4.498 3.497 2.689 158 H GLU 19 HN GLU 19 -7.248 4.221 6.600 159 HA GLU 19 HA GLU 19 -9.484 2.682 5.416 160 1HB GLU 19 HB2 GLU 19 -9.877 3.432 7.661 161 2HB GLU 19 HB1 GLU 19 -9.376 5.071 7.264 162 1HG GLU 19 HG2 GLU 19 -11.360 5.560 6.174 163 2HG GLU 19 HG1 GLU 19 -11.611 3.893 5.663 164 H ALA 20 HN ALA 20 -9.914 3.084 3.345 165 HA ALA 20 HA ALA 20 -9.871 5.930 2.410 166 1HB ALA 20 HB2 ALA 20 -8.652 3.493 1.248 167 2HB ALA 20 HB1 ALA 20 -9.480 4.547 0.108 168 3HB ALA 20 HB3 ALA 20 -8.162 5.174 1.093 169 H VAL 21 HN VAL 21 -11.389 6.389 0.665 170 HA VAL 21 HA VAL 21 -13.905 4.898 1.076 171 HB VAL 21 HB VAL 21 -14.133 7.279 1.170 172 1HG1 VAL 21 HG12 VAL 21 -12.660 7.250 -1.484 173 2HG1 VAL 21 HG11 VAL 21 -13.439 8.679 -0.810 174 3HG1 VAL 21 HG13 VAL 21 -12.085 7.934 0.034 175 1HG2 VAL 21 HG21 VAL 21 -15.734 5.804 -0.333 176 2HG2 VAL 21 HG23 VAL 21 -15.885 7.558 -0.352 177 3HG2 VAL 21 HG22 VAL 21 -15.024 6.733 -1.648 178 H ASP 22 HN ASP 22 -11.462 5.352 -1.361 179 HA ASP 22 HA ASP 22 -12.848 3.328 -3.036 180 1HB ASP 22 HB2 ASP 22 -12.201 4.770 -5.078 181 2HB ASP 22 HB1 ASP 22 -13.596 5.287 -4.136 182 H ALA 23 HN ALA 23 -11.376 2.577 -4.839 183 HA ALA 23 HA ALA 23 -8.839 1.801 -3.714 184 1HB ALA 23 HB1 ALA 23 -10.146 1.483 -6.403 185 2HB ALA 23 HB3 ALA 23 -8.460 1.026 -6.181 186 3HB ALA 23 HB2 ALA 23 -9.717 0.243 -5.229 187 H ALA 24 HN ALA 24 -9.877 4.468 -5.636 188 HA ALA 24 HA ALA 24 -7.341 5.143 -6.817 189 1HB ALA 24 HB2 ALA 24 -9.850 6.066 -7.169 190 2HB ALA 24 HB1 ALA 24 -9.225 7.334 -6.120 191 3HB ALA 24 HB3 ALA 24 -8.427 6.984 -7.650 192 H THR 25 HN THR 25 -9.033 6.831 -4.173 193 HA THR 25 HA THR 25 -6.794 8.304 -3.289 194 HB THR 25 HB THR 25 -9.146 8.746 -2.511 195 HG1 THR 25 HG1 THR 25 -7.564 9.635 -1.281 196 1HG2 THR 25 HG23 THR 25 -9.068 6.023 -1.751 197 2HG2 THR 25 HG22 THR 25 -8.949 6.924 -0.244 198 3HG2 THR 25 HG21 THR 25 -10.318 7.185 -1.319 199 H ALA 26 HN ALA 26 -7.538 4.956 -2.899 200 HA ALA 26 HA ALA 26 -5.910 4.496 -0.553 201 1HB ALA 26 HB2 ALA 26 -7.687 2.927 -1.489 202 2HB ALA 26 HB1 ALA 26 -6.513 2.479 -2.722 203 3HB ALA 26 HB3 ALA 26 -6.170 2.164 -1.022 204 H GLU 27 HN GLU 27 -5.318 4.434 -4.027 205 HA GLU 27 HA GLU 27 -2.657 3.390 -3.927 206 1HB GLU 27 HB2 GLU 27 -4.261 4.975 -5.890 207 2HB GLU 27 HB1 GLU 27 -2.520 4.914 -6.121 208 1HG GLU 27 HG2 GLU 27 -2.621 2.418 -6.039 209 2HG GLU 27 HG1 GLU 27 -4.373 2.520 -5.887 210 H LYS 28 HN LYS 28 -3.850 6.730 -4.047 211 HA LYS 28 HA LYS 28 -1.225 7.900 -3.768 212 1HB LYS 28 HB2 LYS 28 -2.493 9.591 -4.574 213 2HB LYS 28 HB1 LYS 28 -3.978 8.810 -4.061 214 1HG LYS 28 HG2 LYS 28 -3.747 9.728 -1.805 215 2HG LYS 28 HG1 LYS 28 -2.161 10.394 -2.203 216 1HD LYS 28 HD2 LYS 28 -3.172 11.854 -3.894 217 2HD LYS 28 HD1 LYS 28 -4.755 11.149 -3.586 218 1HE LYS 28 HE2 LYS 28 -5.071 12.658 -1.941 219 2HE LYS 28 HE1 LYS 28 -3.723 11.945 -1.063 220 1HZ LYS 28 HZ3 LYS 28 -2.971 13.707 -3.225 221 2HZ LYS 28 HZ2 LYS 28 -3.785 14.463 -1.940 222 3HZ LYS 28 HZ1 LYS 28 -2.357 13.593 -1.645 223 H VAL 29 HN VAL 29 -3.849 7.209 -1.492 224 HA VAL 29 HA VAL 29 -2.732 8.459 0.794 225 HB VAL 29 HB VAL 29 -4.502 6.037 0.483 226 1HG1 VAL 29 HG12 VAL 29 -3.359 7.320 2.965 227 2HG1 VAL 29 HG11 VAL 29 -4.913 6.493 3.008 228 3HG1 VAL 29 HG13 VAL 29 -3.457 5.607 2.565 229 1HG2 VAL 29 HG23 VAL 29 -5.078 8.641 0.096 230 2HG2 VAL 29 HG22 VAL 29 -6.245 7.521 0.793 231 3HG2 VAL 29 HG21 VAL 29 -5.297 8.571 1.841 232 H PHE 30 HN PHE 30 -2.506 5.018 -0.120 233 HA PHE 30 HA PHE 30 -0.569 4.375 1.881 234 1HB PHE 30 HB2 PHE 30 -1.504 3.078 -0.651 235 2HB PHE 30 HB1 PHE 30 -0.035 2.475 0.104 236 HD1 PHE 30 HD1 PHE 30 -0.344 2.315 2.861 237 HD2 PHE 30 HD2 PHE 30 -3.436 1.908 -0.048 238 HE1 PHE 30 HE1 PHE 30 -1.714 1.068 4.475 239 HE2 PHE 30 HE2 PHE 30 -4.771 0.639 1.568 240 HZ PHE 30 HZ PHE 30 -3.906 0.181 3.814 241 H LYS 31 HN LYS 31 -0.230 5.383 -1.497 242 HA LYS 31 HA LYS 31 2.570 5.030 -1.744 243 1HB LYS 31 HB2 LYS 31 1.111 5.621 -3.642 244 2HB LYS 31 HB1 LYS 31 0.856 7.219 -2.948 245 1HG LYS 31 HG2 LYS 31 3.243 7.730 -3.145 246 2HG LYS 31 HG1 LYS 31 3.574 6.097 -3.712 247 1HD LYS 31 HD2 LYS 31 1.483 7.201 -5.336 248 2HD LYS 31 HD1 LYS 31 2.792 8.375 -5.258 249 1HE LYS 31 HE2 LYS 31 4.403 6.548 -5.856 250 2HE LYS 31 HE1 LYS 31 3.039 5.453 -6.047 251 1HZ LYS 31 HZ1 LYS 31 3.185 8.006 -7.521 252 2HZ LYS 31 HZ3 LYS 31 3.929 6.597 -8.109 253 3HZ LYS 31 HZ2 LYS 31 2.248 6.633 -7.868 254 H GLN 32 HN GLN 32 0.720 7.733 -0.409 255 HA GLN 32 HA GLN 32 2.902 9.499 0.046 256 1HB GLN 32 HB2 GLN 32 0.785 10.458 0.393 257 2HB GLN 32 HB1 GLN 32 0.234 9.109 1.381 258 1HG GLN 32 HG2 GLN 32 1.458 9.823 3.262 259 2HG GLN 32 HG1 GLN 32 2.561 10.796 2.292 260 1HE2 GLN 32 HE22 GLN 32 -1.191 12.424 2.421 261 2HE2 GLN 32 HE21 GLN 32 -0.974 10.825 1.893 262 OH TYR 33 OH TYR 33 4.873 2.753 8.275 263 H TYR 33 HN TYR 33 1.696 6.750 1.859 264 HA TYR 33 HA TYR 33 3.353 7.176 4.187 265 1HB TYR 33 HB2 TYR 33 1.340 5.750 4.256 266 2HB TYR 33 HB1 TYR 33 2.106 4.623 3.142 267 HD1 TYR 33 HD1 TYR 33 4.218 3.439 3.852 268 HD2 TYR 33 HD2 TYR 33 1.884 5.707 6.591 269 HE1 TYR 33 HE1 TYR 33 5.335 2.325 5.723 270 HE2 TYR 33 HE2 TYR 33 3.001 4.589 8.466 271 HH TYR 33 HH TYR 33 5.820 2.778 8.115 272 H ALA 34 HN ALA 34 3.598 4.705 1.637 273 HA ALA 34 HA ALA 34 6.109 3.667 2.244 274 1HB ALA 34 HB2 ALA 34 4.387 3.297 0.197 275 2HB ALA 34 HB1 ALA 34 5.639 4.212 -0.636 276 3HB ALA 34 HB3 ALA 34 6.043 2.700 0.168 277 H ASN 35 HN ASN 35 5.400 6.577 0.352 278 HA ASN 35 HA ASN 35 8.043 7.248 -0.393 279 1HB ASN 35 HB2 ASN 35 5.677 8.383 -0.880 280 2HB ASN 35 HB1 ASN 35 6.196 9.444 0.427 281 1HD2 ASN 35 HD22 ASN 35 8.042 11.301 -1.919 282 2HD2 ASN 35 HD21 ASN 35 6.878 11.300 -0.683 283 H ASP 36 HN ASP 36 6.335 7.727 2.631 284 HA ASP 36 HA ASP 36 8.457 9.372 3.788 285 1HB ASP 36 HB2 ASP 36 5.923 8.131 4.830 286 2HB ASP 36 HB1 ASP 36 7.097 8.831 5.942 287 H ASN 37 HN ASN 37 8.861 6.503 2.784 288 HA ASN 37 HA ASN 37 10.416 5.615 5.167 289 1HB ASN 37 HB2 ASN 37 8.380 4.023 3.626 290 2HB ASN 37 HB1 ASN 37 9.713 3.215 4.447 291 1HD2 ASN 37 HD22 ASN 37 6.947 5.232 6.737 292 2HD2 ASN 37 HD21 ASN 37 7.233 5.742 5.144 293 H GLY 38 HN GLY 38 9.896 5.562 1.709 294 1HA GLY 38 HA2 GLY 38 11.819 5.766 0.200 295 2HA GLY 38 HA1 GLY 38 12.773 4.841 1.355 296 H VAL 39 HN VAL 39 9.558 4.245 -0.032 297 HA VAL 39 HA VAL 39 10.638 1.828 -1.395 298 HB VAL 39 HB VAL 39 8.235 1.818 0.454 299 1HG1 VAL 39 HG12 VAL 39 9.453 -0.206 -1.432 300 2HG1 VAL 39 HG11 VAL 39 8.511 -0.722 -0.036 301 3HG1 VAL 39 HG13 VAL 39 7.765 0.273 -1.282 302 1HG2 VAL 39 HG22 VAL 39 10.989 0.549 0.673 303 2HG2 VAL 39 HG21 VAL 39 10.361 1.843 1.687 304 3HG2 VAL 39 HG23 VAL 39 9.652 0.235 1.774 305 H ASP 40 HN ASP 40 10.277 2.800 -3.391 306 HA ASP 40 HA ASP 40 7.418 2.920 -4.191 307 1HB ASP 40 HB2 ASP 40 9.379 5.097 -4.942 308 2HB ASP 40 HB1 ASP 40 7.643 5.069 -5.241 309 H GLY 41 HN GLY 41 7.068 2.071 -6.173 310 1HA GLY 41 HA2 GLY 41 8.794 2.147 -8.401 311 2HA GLY 41 HA1 GLY 41 9.188 0.672 -7.520 312 H GLU 42 HN GLU 42 7.580 -0.950 -7.301 313 HA GLU 42 HA GLU 42 5.466 -0.802 -9.413 314 1HB GLU 42 HB2 GLU 42 6.554 -3.244 -8.021 315 2HB GLU 42 HB1 GLU 42 5.540 -3.213 -9.457 316 1HG GLU 42 HG2 GLU 42 7.427 -1.806 -10.534 317 2HG GLU 42 HG1 GLU 42 8.425 -2.340 -9.184 318 CH2 TRP 43 CH2 TRP 43 2.134 2.472 -2.090 319 H TRP 43 HN TRP 43 3.393 -0.763 -8.807 320 HA TRP 43 HA TRP 43 2.749 -1.422 -5.955 321 1HB TRP 43 HB2 TRP 43 1.751 0.707 -7.817 322 2HB TRP 43 HB1 TRP 43 0.774 0.191 -6.455 323 HD1 TRP 43 HD1 TRP 43 4.385 1.377 -7.175 324 HE1 TRP 43 HE1 TRP 43 5.110 2.718 -5.139 325 HE3 TRP 43 HE3 TRP 43 0.399 0.642 -4.300 326 HZ2 TRP 43 HZ2 TRP 43 4.058 3.330 -2.429 327 HZ3 TRP 43 HZ3 TRP 43 0.233 1.510 -2.024 328 HH2 TRP 43 HH2 TRP 43 2.060 2.849 -1.081 329 H THR 44 HN THR 44 1.216 -2.897 -5.573 330 HA THR 44 HA THR 44 -0.458 -3.838 -7.873 331 HB THR 44 HB THR 44 -0.282 -6.147 -6.642 332 HG1 THR 44 HG1 THR 44 2.127 -5.653 -5.726 333 1HG2 THR 44 HG23 THR 44 2.072 -4.802 -8.017 334 2HG2 THR 44 HG22 THR 44 2.099 -6.499 -7.548 335 3HG2 THR 44 HG21 THR 44 0.927 -5.932 -8.735 336 OH TYR 45 OH TYR 45 -8.904 -1.336 -2.945 337 H TYR 45 HN TYR 45 -2.523 -4.617 -7.365 338 HA TYR 45 HA TYR 45 -3.569 -3.840 -4.660 339 1HB TYR 45 HB2 TYR 45 -4.196 -2.404 -6.736 340 2HB TYR 45 HB1 TYR 45 -5.191 -3.779 -7.216 341 HD1 TYR 45 HD1 TYR 45 -6.586 -4.705 -4.855 342 HD2 TYR 45 HD2 TYR 45 -5.472 -0.719 -5.814 343 HE1 TYR 45 HE1 TYR 45 -8.331 -3.862 -3.376 344 HE2 TYR 45 HE2 TYR 45 -7.250 0.127 -4.368 345 HH TYR 45 HH TYR 45 -9.672 -1.148 -3.489 346 H ASP 46 HN ASP 46 -4.475 -5.495 -3.576 347 HA ASP 46 HA ASP 46 -5.073 -8.004 -5.075 348 1HB ASP 46 HB2 ASP 46 -3.520 -7.831 -2.958 349 2HB ASP 46 HB1 ASP 46 -5.044 -7.834 -2.080 350 H ASP 47 HN ASP 47 -7.061 -6.744 -5.803 351 HA ASP 47 HA ASP 47 -9.165 -6.120 -3.972 352 1HB ASP 47 HB2 ASP 47 -9.232 -5.268 -6.238 353 2HB ASP 47 HB1 ASP 47 -9.255 -6.902 -6.896 354 H ALA 48 HN ALA 48 -7.779 -9.032 -4.475 355 HA ALA 48 HA ALA 48 -10.234 -10.654 -4.456 356 1HB ALA 48 HB2 ALA 48 -7.881 -11.225 -5.504 357 2HB ALA 48 HB1 ALA 48 -7.519 -11.778 -3.872 358 3HB ALA 48 HB3 ALA 48 -8.851 -12.497 -4.770 359 H THR 49 HN THR 49 -8.323 -9.042 -2.188 360 HA THR 49 HA THR 49 -9.806 -10.321 0.010 361 HB THR 49 HB THR 49 -7.524 -10.669 1.261 362 HG1 THR 49 HG1 THR 49 -5.813 -10.768 -0.137 363 1HG2 THR 49 HG23 THR 49 -9.017 -12.524 0.186 364 2HG2 THR 49 HG22 THR 49 -7.895 -12.440 -1.168 365 3HG2 THR 49 HG21 THR 49 -7.315 -12.902 0.430 366 H LYS 50 HN LYS 50 -9.160 -7.619 -1.355 367 HA LYS 50 HA LYS 50 -8.889 -5.388 -0.651 368 1HB LYS 50 HB2 LYS 50 -9.780 -6.540 2.009 369 2HB LYS 50 HB1 LYS 50 -9.848 -4.848 1.535 370 1HG LYS 50 HG2 LYS 50 -11.209 -6.863 -0.226 371 2HG LYS 50 HG1 LYS 50 -11.985 -6.423 1.288 372 1HD LYS 50 HD2 LYS 50 -12.279 -4.203 0.649 373 2HD LYS 50 HD1 LYS 50 -10.927 -4.244 -0.474 374 1HE LYS 50 HE2 LYS 50 -13.364 -4.266 -1.433 375 2HE LYS 50 HE1 LYS 50 -12.164 -5.345 -2.134 376 1HZ LYS 50 HZ2 LYS 50 -13.517 -6.477 0.126 377 2HZ LYS 50 HZ1 LYS 50 -14.569 -6.092 -1.151 378 3HZ LYS 50 HZ3 LYS 50 -13.250 -7.128 -1.420 379 H THR 51 HN THR 51 -6.534 -6.324 -0.906 380 HA THR 51 HA THR 51 -5.058 -5.433 1.520 381 HB THR 51 HB THR 51 -4.880 -8.158 0.219 382 HG1 THR 51 HG1 THR 51 -4.392 -7.745 2.865 383 1HG2 THR 51 HG22 THR 51 -2.732 -6.759 1.852 384 2HG2 THR 51 HG21 THR 51 -2.772 -8.483 1.528 385 3HG2 THR 51 HG23 THR 51 -2.540 -7.344 0.206 386 H PHE 52 HN PHE 52 -3.722 -3.824 0.813 387 HA PHE 52 HA PHE 52 -3.027 -3.641 -2.018 388 1HB PHE 52 HB2 PHE 52 -2.964 -1.894 0.295 389 2HB PHE 52 HB1 PHE 52 -1.473 -1.797 -0.632 390 HD1 PHE 52 HD1 PHE 52 -1.542 -1.123 -3.049 391 HD2 PHE 52 HD2 PHE 52 -5.050 -1.195 -0.680 392 HE1 PHE 52 HE1 PHE 52 -2.744 0.188 -4.757 393 HE2 PHE 52 HE2 PHE 52 -6.204 0.203 -2.295 394 HZ PHE 52 HZ PHE 52 -5.042 0.944 -4.317 395 H THR 53 HN THR 53 -0.750 -3.480 -2.720 396 HA THR 53 HA THR 53 1.290 -4.538 -0.904 397 HB THR 53 HB THR 53 0.488 -6.143 -3.359 398 HG1 THR 53 HG1 THR 53 0.131 -6.347 -0.549 399 1HG2 THR 53 HG23 THR 53 2.875 -6.087 -1.701 400 2HG2 THR 53 HG22 THR 53 2.010 -7.601 -1.452 401 3HG2 THR 53 HG21 THR 53 2.527 -7.139 -3.070 402 H VAL 54 HN VAL 54 3.231 -3.737 -1.430 403 HA VAL 54 HA VAL 54 3.669 -2.798 -4.232 404 HB VAL 54 HB VAL 54 3.030 -0.881 -2.726 405 1HG1 VAL 54 HG12 VAL 54 4.147 -1.944 -0.715 406 2HG1 VAL 54 HG11 VAL 54 5.691 -1.436 -1.393 407 3HG1 VAL 54 HG13 VAL 54 4.488 -0.234 -0.940 408 1HG2 VAL 54 HG21 VAL 54 5.841 -0.976 -3.860 409 2HG2 VAL 54 HG23 VAL 54 4.392 -0.372 -4.647 410 3HG2 VAL 54 HG22 VAL 54 5.084 0.500 -3.287 411 H THR 55 HN THR 55 5.834 -2.876 -4.893 412 HA THR 55 HA THR 55 7.811 -4.017 -2.988 413 HB THR 55 HB THR 55 7.129 -5.353 -5.645 414 HG1 THR 55 HG1 THR 55 6.920 -6.711 -3.295 415 1HG2 THR 55 HG22 THR 55 9.335 -5.620 -3.671 416 2HG2 THR 55 HG21 THR 55 8.517 -7.127 -4.074 417 3HG2 THR 55 HG23 THR 55 9.267 -6.165 -5.340 418 H GLU 56 HN GLU 56 9.588 -2.776 -3.198 419 HA GLU 56 HA GLU 56 10.025 -1.019 -5.433 420 1HB GLU 56 HB2 GLU 56 11.115 -1.326 -2.885 421 2HB GLU 56 HB1 GLU 56 12.455 -1.676 -3.965 422 1HG GLU 56 HG2 GLU 56 10.680 0.788 -4.107 423 2HG GLU 56 HG1 GLU 56 12.318 0.749 -3.462 Start of MODEL 15 Raw file had 423 H/Q atoms Entry Start of MODEL 15 1 1H MET 1 HT3 MET 1 -13.672 2.372 3.778 2 2H MET 1 HT2 MET 1 -13.545 1.616 2.262 3 3H MET 1 HT1 MET 1 -14.960 1.438 3.183 4 HA MET 1 HA MET 1 -13.888 0.113 4.788 5 1HB MET 1 HB2 MET 1 -12.645 -0.870 2.232 6 2HB MET 1 HB1 MET 1 -13.377 -1.804 3.531 7 1HG MET 1 HG2 MET 1 -15.552 -0.556 2.928 8 2HG MET 1 HG1 MET 1 -14.738 -0.097 1.455 9 1HE MET 1 HE1 MET 1 -13.827 -1.607 -0.241 10 2HE MET 1 HE3 MET 1 -14.894 -2.863 -0.871 11 3HE MET 1 HE2 MET 1 -15.497 -1.219 -0.654 12 H THR 2 HN THR 2 -11.617 -1.354 4.641 13 HA THR 2 HA THR 2 -9.367 0.599 4.532 14 HB THR 2 HB THR 2 -9.743 -1.293 6.882 15 HG1 THR 2 HG1 THR 2 -10.224 1.491 6.813 16 1HG2 THR 2 HG23 THR 2 -7.511 0.088 6.129 17 2HG2 THR 2 HG22 THR 2 -8.359 1.341 7.031 18 3HG2 THR 2 HG21 THR 2 -7.939 -0.176 7.815 19 OH TYR 3 OH TYR 3 -11.576 0.240 -0.919 20 H TYR 3 HN TYR 3 -7.792 -0.240 3.315 21 HA TYR 3 HA TYR 3 -7.695 -3.201 2.968 22 1HB TYR 3 HB2 TYR 3 -6.075 -1.231 1.371 23 2HB TYR 3 HB1 TYR 3 -6.605 -2.842 0.914 24 HD1 TYR 3 HD1 TYR 3 -7.904 0.572 1.709 25 HD2 TYR 3 HD2 TYR 3 -8.650 -3.137 -0.223 26 HE1 TYR 3 HE1 TYR 3 -9.934 1.503 0.695 27 HE2 TYR 3 HE2 TYR 3 -10.672 -2.204 -1.244 28 HH TYR 3 HH TYR 3 -12.010 0.794 -0.265 29 H LYS 4 HN LYS 4 -5.529 -4.205 2.863 30 HA LYS 4 HA LYS 4 -3.754 -3.020 4.960 31 1HB LYS 4 HB2 LYS 4 -4.909 -5.442 5.006 32 2HB LYS 4 HB1 LYS 4 -3.481 -5.859 4.076 33 1HG LYS 4 HG2 LYS 4 -2.276 -4.436 6.021 34 2HG LYS 4 HG1 LYS 4 -3.685 -4.985 6.922 35 1HD LYS 4 HD2 LYS 4 -1.756 -6.759 5.391 36 2HD LYS 4 HD1 LYS 4 -1.840 -6.602 7.142 37 1HE LYS 4 HE2 LYS 4 -3.268 -8.376 7.011 38 2HE LYS 4 HE1 LYS 4 -4.453 -7.169 6.529 39 1HZ LYS 4 HZ2 LYS 4 -2.778 -8.144 4.389 40 2HZ LYS 4 HZ1 LYS 4 -3.803 -9.312 5.075 41 3HZ LYS 4 HZ3 LYS 4 -4.456 -7.883 4.429 42 H LEU 5 HN LEU 5 -1.839 -2.247 4.287 43 HA LEU 5 HA LEU 5 -0.950 -2.897 1.549 44 1HB LEU 5 HB2 LEU 5 -0.821 -0.565 2.110 45 2HB LEU 5 HB1 LEU 5 -0.030 -0.897 3.641 46 HG LEU 5 HG LEU 5 1.986 -1.748 2.324 47 1HD1 LEU 5 HD13 LEU 5 0.439 -0.541 0.009 48 2HD1 LEU 5 HD12 LEU 5 2.103 -1.096 -0.062 49 3HD1 LEU 5 HD11 LEU 5 0.807 -2.251 0.200 50 1HD2 LEU 5 HD22 LEU 5 1.699 0.619 3.221 51 2HD2 LEU 5 HD21 LEU 5 2.830 0.444 1.883 52 3HD2 LEU 5 HD23 LEU 5 1.216 1.078 1.592 53 H ILE 6 HN ILE 6 1.084 -3.806 1.090 54 HA ILE 6 HA ILE 6 2.567 -4.997 3.349 55 HB ILE 6 HB ILE 6 1.778 -6.358 0.769 56 1HG1 ILE 6 HG12 ILE 6 1.364 -7.382 3.574 57 2HG1 ILE 6 HG11 ILE 6 0.241 -6.214 2.900 58 1HG2 ILE 6 HG21 ILE 6 4.016 -6.806 2.656 59 2HG2 ILE 6 HG23 ILE 6 3.086 -8.246 2.267 60 3HG2 ILE 6 HG22 ILE 6 3.845 -7.318 0.981 61 1HD1 ILE 6 HD1 ILE 6 0.974 -8.830 1.545 62 2HD1 ILE 6 HD3 ILE 6 -0.473 -8.587 2.512 63 3HD1 ILE 6 HD2 ILE 6 -0.248 -7.683 1.019 64 H LEU 7 HN LEU 7 4.370 -3.776 3.307 65 HA LEU 7 HA LEU 7 5.511 -2.845 0.794 66 1HB LEU 7 HB2 LEU 7 6.428 -2.666 3.661 67 2HB LEU 7 HB1 LEU 7 7.348 -1.994 2.319 68 HG LEU 7 HG LEU 7 4.494 -1.274 2.261 69 1HD1 LEU 7 HD11 LEU 7 6.277 -0.329 4.534 70 2HD1 LEU 7 HD13 LEU 7 4.723 0.386 4.113 71 3HD1 LEU 7 HD12 LEU 7 4.799 -1.272 4.698 72 1HD2 LEU 7 HD23 LEU 7 6.384 -0.326 0.856 73 2HD2 LEU 7 HD22 LEU 7 5.415 0.887 1.687 74 3HD2 LEU 7 HD21 LEU 7 6.997 0.441 2.318 75 H ASN 8 HN ASN 8 6.783 -3.997 -0.476 76 HA ASN 8 HA ASN 8 8.279 -6.288 0.720 77 1HB ASN 8 HB2 ASN 8 6.755 -5.923 -1.703 78 2HB ASN 8 HB1 ASN 8 8.395 -6.383 -2.110 79 1HD2 ASN 8 HD22 ASN 8 5.976 -9.236 -1.047 80 2HD2 ASN 8 HD21 ASN 8 5.565 -7.784 -1.810 81 H GLY 9 HN GLY 9 9.237 -3.687 1.105 82 1HA GLY 9 HA2 GLY 9 11.046 -2.630 -0.740 83 2HA GLY 9 HA1 GLY 9 11.318 -2.583 0.998 84 H LYS 10 HN LYS 10 13.142 -3.035 -1.328 85 HA LYS 10 HA LYS 10 14.018 -5.698 -1.550 86 1HB LYS 10 HB2 LYS 10 14.869 -3.550 -2.738 87 2HB LYS 10 HB1 LYS 10 15.971 -3.415 -1.372 88 1HG LYS 10 HG2 LYS 10 17.291 -4.751 -2.697 89 2HG LYS 10 HG1 LYS 10 16.327 -6.029 -1.966 90 1HD LYS 10 HD2 LYS 10 14.668 -5.591 -3.930 91 2HD LYS 10 HD1 LYS 10 16.027 -4.772 -4.693 92 1HE LYS 10 HE2 LYS 10 16.226 -7.000 -5.460 93 2HE LYS 10 HE1 LYS 10 17.372 -6.921 -4.128 94 1HZ LYS 10 HZ1 LYS 10 14.583 -7.890 -3.866 95 2HZ LYS 10 HZ3 LYS 10 15.930 -8.900 -4.089 96 3HZ LYS 10 HZ2 LYS 10 15.803 -7.953 -2.686 97 H THR 11 HN THR 11 14.767 -3.281 0.902 98 HA THR 11 HA THR 11 15.853 -5.465 2.619 99 HB THR 11 HB THR 11 17.308 -3.387 3.509 100 HG1 THR 11 HG1 THR 11 16.548 -2.901 0.816 101 1HG2 THR 11 HG23 THR 11 17.915 -4.801 0.885 102 2HG2 THR 11 HG22 THR 11 19.098 -4.009 1.922 103 3HG2 THR 11 HG21 THR 11 18.278 -5.467 2.473 104 H LEU 12 HN LEU 12 13.320 -3.563 2.255 105 HA LEU 12 HA LEU 12 12.978 -3.238 5.206 106 1HB LEU 12 HB2 LEU 12 13.677 -1.049 4.113 107 2HB LEU 12 HB1 LEU 12 12.142 -1.089 3.253 108 HG LEU 12 HG LEU 12 11.196 -1.526 5.725 109 1HD1 LEU 12 HD13 LEU 12 13.465 -1.538 6.738 110 2HD1 LEU 12 HD12 LEU 12 13.721 0.105 6.160 111 3HD1 LEU 12 HD11 LEU 12 12.486 -0.220 7.371 112 1HD2 LEU 12 HD23 LEU 12 12.019 1.132 4.516 113 2HD2 LEU 12 HD22 LEU 12 10.461 0.327 4.358 114 3HD2 LEU 12 HD21 LEU 12 10.954 0.994 5.911 115 H LYS 13 HN LYS 13 11.483 -4.845 5.383 116 HA LYS 13 HA LYS 13 9.080 -4.705 3.626 117 1HB LYS 13 HB2 LYS 13 10.296 -6.883 5.305 118 2HB LYS 13 HB1 LYS 13 8.617 -6.983 4.792 119 1HG LYS 13 HG2 LYS 13 9.176 -7.354 2.603 120 2HG LYS 13 HG1 LYS 13 10.542 -6.245 2.658 121 1HD LYS 13 HD2 LYS 13 11.864 -7.918 3.903 122 2HD LYS 13 HD1 LYS 13 10.496 -9.024 3.885 123 1HE LYS 13 HE2 LYS 13 11.306 -9.808 1.921 124 2HE LYS 13 HE1 LYS 13 10.805 -8.283 1.204 125 1HZ LYS 13 HZ2 LYS 13 13.035 -7.421 2.027 126 2HZ LYS 13 HZ1 LYS 13 13.466 -9.052 2.214 127 3HZ LYS 13 HZ3 LYS 13 13.039 -8.457 0.682 128 H GLY 14 HN GLY 14 7.132 -4.131 4.433 129 1HA GLY 14 HA2 GLY 14 6.673 -4.199 7.353 130 2HA GLY 14 HA1 GLY 14 6.622 -2.609 6.598 131 H GLU 15 HN GLU 15 4.368 -2.703 7.466 132 HA GLU 15 HA GLU 15 2.505 -3.212 5.362 133 1HB GLU 15 HB2 GLU 15 1.203 -5.020 6.673 134 2HB GLU 15 HB1 GLU 15 2.633 -5.530 5.785 135 1HG GLU 15 HG2 GLU 15 3.941 -5.697 7.746 136 2HG GLU 15 HG1 GLU 15 2.852 -4.668 8.669 137 H THR 16 HN THR 16 0.715 -2.009 5.714 138 HA THR 16 HA THR 16 -0.186 -1.442 8.460 139 HB THR 16 HB THR 16 1.630 0.295 7.908 140 HG1 THR 16 HG1 THR 16 -0.382 0.424 9.285 141 1HG2 THR 16 HG22 THR 16 0.386 0.506 5.473 142 2HG2 THR 16 HG21 THR 16 -0.447 1.769 6.372 143 3HG2 THR 16 HG23 THR 16 1.304 1.822 6.199 144 H THR 17 HN THR 17 -2.299 -0.547 8.534 145 HA THR 17 HA THR 17 -3.796 -0.891 5.969 146 HB THR 17 HB THR 17 -5.675 -1.581 7.263 147 HG1 THR 17 HG1 THR 17 -5.486 0.305 8.604 148 1HG2 THR 17 HG23 THR 17 -3.283 -2.866 7.805 149 2HG2 THR 17 HG22 THR 17 -3.802 -2.375 9.413 150 3HG2 THR 17 HG21 THR 17 -4.845 -3.390 8.423 151 H THR 18 HN THR 18 -5.132 0.701 5.212 152 HA THR 18 HA THR 18 -5.321 3.223 6.804 153 HB THR 18 HB THR 18 -3.538 3.231 4.860 154 HG1 THR 18 HG1 THR 18 -4.939 5.354 4.322 155 1HG2 THR 18 HG23 THR 18 -5.503 2.343 3.266 156 2HG2 THR 18 HG22 THR 18 -5.940 4.047 3.245 157 3HG2 THR 18 HG21 THR 18 -4.352 3.537 2.678 158 H GLU 19 HN GLU 19 -7.212 4.404 6.509 159 HA GLU 19 HA GLU 19 -9.466 2.850 5.441 160 1HB GLU 19 HB2 GLU 19 -9.800 4.007 7.545 161 2HB GLU 19 HB1 GLU 19 -9.322 5.540 6.822 162 1HG GLU 19 HG2 GLU 19 -11.331 5.800 5.720 163 2HG GLU 19 HG1 GLU 19 -11.542 4.067 5.479 164 H ALA 20 HN ALA 20 -10.207 3.051 3.432 165 HA ALA 20 HA ALA 20 -9.913 5.667 2.036 166 1HB ALA 20 HB3 ALA 20 -8.505 3.213 1.402 167 2HB ALA 20 HB2 ALA 20 -9.519 3.720 0.054 168 3HB ALA 20 HB1 ALA 20 -8.307 4.816 0.705 169 H VAL 21 HN VAL 21 -11.616 6.183 0.733 170 HA VAL 21 HA VAL 21 -14.021 4.537 0.997 171 HB VAL 21 HB VAL 21 -14.384 6.884 1.121 172 1HG1 VAL 21 HG13 VAL 21 -12.643 6.954 -1.351 173 2HG1 VAL 21 HG12 VAL 21 -13.676 8.313 -0.918 174 3HG1 VAL 21 HG11 VAL 21 -12.398 7.794 0.177 175 1HG2 VAL 21 HG22 VAL 21 -15.852 5.414 -0.506 176 2HG2 VAL 21 HG21 VAL 21 -16.054 7.164 -0.499 177 3HG2 VAL 21 HG23 VAL 21 -15.098 6.393 -1.761 178 H ASP 22 HN ASP 22 -11.559 5.058 -1.383 179 HA ASP 22 HA ASP 22 -12.880 3.044 -3.117 180 1HB ASP 22 HB2 ASP 22 -12.468 4.430 -5.138 181 2HB ASP 22 HB1 ASP 22 -13.605 5.199 -4.033 182 H ALA 23 HN ALA 23 -11.391 2.235 -4.813 183 HA ALA 23 HA ALA 23 -8.834 1.571 -3.688 184 1HB ALA 23 HB1 ALA 23 -10.234 1.090 -6.272 185 2HB ALA 23 HB3 ALA 23 -8.485 0.890 -6.260 186 3HB ALA 23 HB2 ALA 23 -9.487 -0.063 -5.170 187 H ALA 24 HN ALA 24 -9.912 4.066 -5.876 188 HA ALA 24 HA ALA 24 -7.364 4.820 -6.935 189 1HB ALA 24 HB2 ALA 24 -9.958 5.650 -7.310 190 2HB ALA 24 HB1 ALA 24 -9.248 7.030 -6.480 191 3HB ALA 24 HB3 ALA 24 -8.542 6.449 -7.985 192 H THR 25 HN THR 25 -9.242 6.456 -4.384 193 HA THR 25 HA THR 25 -7.150 8.156 -3.517 194 HB THR 25 HB THR 25 -9.690 8.157 -2.846 195 HG1 THR 25 HG1 THR 25 -8.231 8.659 -0.607 196 1HG2 THR 25 HG21 THR 25 -9.217 5.818 -1.621 197 2HG2 THR 25 HG23 THR 25 -8.596 6.876 -0.358 198 3HG2 THR 25 HG22 THR 25 -10.272 7.015 -0.878 199 H ALA 26 HN ALA 26 -7.598 4.785 -3.051 200 HA ALA 26 HA ALA 26 -5.974 4.569 -0.642 201 1HB ALA 26 HB3 ALA 26 -7.642 2.846 -1.231 202 2HB ALA 26 HB2 ALA 26 -6.721 2.455 -2.679 203 3HB ALA 26 HB1 ALA 26 -6.032 2.146 -1.089 204 H GLU 27 HN GLU 27 -5.409 4.299 -4.108 205 HA GLU 27 HA GLU 27 -2.742 3.298 -3.995 206 1HB GLU 27 HB2 GLU 27 -4.201 4.997 -6.025 207 2HB GLU 27 HB1 GLU 27 -2.557 4.430 -6.275 208 1HG GLU 27 HG2 GLU 27 -3.387 2.076 -5.876 209 2HG GLU 27 HG1 GLU 27 -5.025 2.721 -5.856 210 H LYS 28 HN LYS 28 -4.023 6.589 -3.983 211 HA LYS 28 HA LYS 28 -1.373 7.803 -3.918 212 1HB LYS 28 HB2 LYS 28 -3.586 9.464 -2.952 213 2HB LYS 28 HB1 LYS 28 -2.474 9.747 -4.286 214 1HG LYS 28 HG2 LYS 28 -3.781 8.015 -5.610 215 2HG LYS 28 HG1 LYS 28 -4.969 8.028 -4.315 216 1HD LYS 28 HD2 LYS 28 -4.121 10.425 -5.968 217 2HD LYS 28 HD1 LYS 28 -5.658 9.579 -6.088 218 1HE LYS 28 HE2 LYS 28 -5.793 10.093 -3.495 219 2HE LYS 28 HE1 LYS 28 -4.648 11.366 -3.896 220 1HZ LYS 28 HZ1 LYS 28 -6.858 11.223 -5.715 221 2HZ LYS 28 HZ3 LYS 28 -7.337 11.537 -4.116 222 3HZ LYS 28 HZ2 LYS 28 -6.218 12.559 -4.885 223 H VAL 29 HN VAL 29 -3.879 7.050 -1.556 224 HA VAL 29 HA VAL 29 -2.738 8.423 0.662 225 HB VAL 29 HB VAL 29 -4.466 5.951 0.498 226 1HG1 VAL 29 HG11 VAL 29 -3.304 7.410 2.872 227 2HG1 VAL 29 HG13 VAL 29 -4.848 6.575 3.000 228 3HG1 VAL 29 HG12 VAL 29 -3.392 5.674 2.587 229 1HG2 VAL 29 HG22 VAL 29 -5.111 8.518 -0.034 230 2HG2 VAL 29 HG21 VAL 29 -6.240 7.409 0.738 231 3HG2 VAL 29 HG23 VAL 29 -5.310 8.541 1.716 232 H PHE 30 HN PHE 30 -2.547 4.934 -0.054 233 HA PHE 30 HA PHE 30 -0.557 4.364 1.882 234 1HB PHE 30 HB2 PHE 30 -1.459 3.026 -0.641 235 2HB PHE 30 HB1 PHE 30 0.009 2.453 0.137 236 HD1 PHE 30 HD1 PHE 30 -0.308 2.304 2.878 237 HD2 PHE 30 HD2 PHE 30 -3.403 1.884 -0.024 238 HE1 PHE 30 HE1 PHE 30 -1.676 1.068 4.501 239 HE2 PHE 30 HE2 PHE 30 -4.741 0.635 1.603 240 HZ PHE 30 HZ PHE 30 -3.876 0.195 3.854 241 H LYS 31 HN LYS 31 -0.293 5.533 -1.421 242 HA LYS 31 HA LYS 31 2.528 5.182 -1.718 243 1HB LYS 31 HB2 LYS 31 1.141 5.698 -3.641 244 2HB LYS 31 HB1 LYS 31 0.659 7.233 -2.923 245 1HG LYS 31 HG2 LYS 31 2.853 8.145 -3.135 246 2HG LYS 31 HG1 LYS 31 3.560 6.565 -3.451 247 1HD LYS 31 HD2 LYS 31 1.417 7.310 -5.335 248 2HD LYS 31 HD1 LYS 31 2.820 8.370 -5.401 249 1HE LYS 31 HE2 LYS 31 4.299 6.409 -5.671 250 2HE LYS 31 HE1 LYS 31 2.905 5.339 -5.580 251 1HZ LYS 31 HZ2 LYS 31 2.135 6.982 -7.516 252 2HZ LYS 31 HZ1 LYS 31 3.816 7.021 -7.758 253 3HZ LYS 31 HZ3 LYS 31 2.987 5.539 -7.797 254 H GLN 32 HN GLN 32 0.602 7.671 -0.181 255 HA GLN 32 HA GLN 32 2.757 9.553 0.189 256 1HB GLN 32 HB2 GLN 32 0.376 10.197 0.382 257 2HB GLN 32 HB1 GLN 32 0.223 9.180 1.810 258 1HG GLN 32 HG2 GLN 32 1.623 10.571 3.103 259 2HG GLN 32 HG1 GLN 32 2.346 11.319 1.681 260 1HE2 GLN 32 HE22 GLN 32 -1.372 12.576 2.916 261 2HE2 GLN 32 HE21 GLN 32 -0.830 11.028 3.352 262 OH TYR 33 OH TYR 33 4.910 2.534 8.119 263 H TYR 33 HN TYR 33 1.691 6.705 1.854 264 HA TYR 33 HA TYR 33 3.180 7.204 4.297 265 1HB TYR 33 HB2 TYR 33 1.270 5.683 4.319 266 2HB TYR 33 HB1 TYR 33 2.051 4.648 3.129 267 HD1 TYR 33 HD1 TYR 33 4.168 3.443 3.747 268 HD2 TYR 33 HD2 TYR 33 1.871 5.546 6.642 269 HE1 TYR 33 HE1 TYR 33 5.328 2.243 5.539 270 HE2 TYR 33 HE2 TYR 33 3.031 4.344 8.436 271 HH TYR 33 HH TYR 33 4.630 2.909 8.957 272 H ALA 34 HN ALA 34 3.664 4.925 1.613 273 HA ALA 34 HA ALA 34 6.198 3.955 2.308 274 1HB ALA 34 HB2 ALA 34 4.662 4.242 -0.188 275 2HB ALA 34 HB1 ALA 34 6.404 4.154 -0.416 276 3HB ALA 34 HB3 ALA 34 5.562 2.858 0.424 277 H ASN 35 HN ASN 35 5.307 7.068 1.051 278 HA ASN 35 HA ASN 35 7.901 7.899 0.144 279 1HB ASN 35 HB2 ASN 35 5.933 9.145 -0.525 280 2HB ASN 35 HB1 ASN 35 5.536 9.499 1.155 281 1HD2 ASN 35 HD22 ASN 35 7.342 12.500 0.881 282 2HD2 ASN 35 HD21 ASN 35 5.893 11.729 1.313 283 H ASP 36 HN ASP 36 6.338 7.882 3.275 284 HA ASP 36 HA ASP 36 8.343 9.522 4.584 285 1HB ASP 36 HB2 ASP 36 5.991 7.912 5.414 286 2HB ASP 36 HB1 ASP 36 7.235 8.159 6.635 287 H ASN 37 HN ASN 37 8.941 6.878 3.052 288 HA ASN 37 HA ASN 37 10.921 5.912 5.052 289 1HB ASN 37 HB2 ASN 37 9.186 4.072 3.388 290 2HB ASN 37 HB1 ASN 37 10.403 3.583 4.563 291 1HD2 ASN 37 HD22 ASN 37 6.914 5.262 5.966 292 2HD2 ASN 37 HD21 ASN 37 7.484 5.702 4.429 293 H GLY 38 HN GLY 38 9.795 5.454 1.717 294 1HA GLY 38 HA2 GLY 38 11.422 6.319 -0.049 295 2HA GLY 38 HA1 GLY 38 12.661 5.440 0.841 296 H VAL 39 HN VAL 39 9.363 4.631 -0.227 297 HA VAL 39 HA VAL 39 10.507 2.291 -1.701 298 HB VAL 39 HB VAL 39 8.008 2.316 0.015 299 1HG1 VAL 39 HG13 VAL 39 9.167 0.381 -1.969 300 2HG1 VAL 39 HG12 VAL 39 8.337 -0.256 -0.554 301 3HG1 VAL 39 HG11 VAL 39 7.482 0.795 -1.676 302 1HG2 VAL 39 HG21 VAL 39 10.133 2.228 1.297 303 2HG2 VAL 39 HG23 VAL 39 9.270 0.696 1.389 304 3HG2 VAL 39 HG22 VAL 39 10.659 0.860 0.319 305 H ASP 40 HN ASP 40 10.276 3.198 -3.732 306 HA ASP 40 HA ASP 40 7.466 3.485 -4.659 307 1HB ASP 40 HB2 ASP 40 9.616 5.586 -4.833 308 2HB ASP 40 HB1 ASP 40 8.310 5.533 -6.014 309 H GLY 41 HN GLY 41 7.253 2.128 -6.309 310 1HA GLY 41 HA2 GLY 41 8.987 2.238 -8.618 311 2HA GLY 41 HA1 GLY 41 9.301 0.787 -7.671 312 H GLU 42 HN GLU 42 7.569 -0.717 -7.354 313 HA GLU 42 HA GLU 42 5.480 -0.559 -9.500 314 1HB GLU 42 HB2 GLU 42 6.403 -3.080 -8.161 315 2HB GLU 42 HB1 GLU 42 5.593 -2.906 -9.712 316 1HG GLU 42 HG2 GLU 42 8.429 -2.045 -9.040 317 2HG GLU 42 HG1 GLU 42 7.955 -3.347 -10.127 318 CH2 TRP 43 CH2 TRP 43 2.080 2.608 -2.161 319 H TRP 43 HN TRP 43 3.395 -0.638 -8.900 320 HA TRP 43 HA TRP 43 2.789 -1.254 -6.027 321 1HB TRP 43 HB2 TRP 43 1.757 0.851 -7.896 322 2HB TRP 43 HB1 TRP 43 0.778 0.321 -6.540 323 HD1 TRP 43 HD1 TRP 43 4.366 1.581 -7.243 324 HE1 TRP 43 HE1 TRP 43 5.052 2.937 -5.205 325 HE3 TRP 43 HE3 TRP 43 0.389 0.746 -4.381 326 HZ2 TRP 43 HZ2 TRP 43 3.983 3.512 -2.494 327 HZ3 TRP 43 HZ3 TRP 43 0.202 1.597 -2.101 328 HH2 TRP 43 HH2 TRP 43 1.995 2.978 -1.150 329 H THR 44 HN THR 44 1.204 -2.695 -5.595 330 HA THR 44 HA THR 44 -0.421 -3.686 -7.917 331 HB THR 44 HB THR 44 0.061 -5.918 -7.399 332 HG1 THR 44 HG1 THR 44 -0.684 -5.982 -5.352 333 1HG2 THR 44 HG23 THR 44 2.306 -4.485 -7.563 334 2HG2 THR 44 HG22 THR 44 2.406 -4.846 -5.843 335 3HG2 THR 44 HG21 THR 44 2.372 -6.158 -7.018 336 OH TYR 45 OH TYR 45 -8.866 -1.450 -2.988 337 H TYR 45 HN TYR 45 -2.353 -4.948 -7.164 338 HA TYR 45 HA TYR 45 -3.488 -3.926 -4.599 339 1HB TYR 45 HB2 TYR 45 -4.109 -2.538 -6.708 340 2HB TYR 45 HB1 TYR 45 -5.086 -3.932 -7.172 341 HD1 TYR 45 HD1 TYR 45 -6.484 -4.818 -4.795 342 HD2 TYR 45 HD2 TYR 45 -5.427 -0.847 -5.849 343 HE1 TYR 45 HE1 TYR 45 -8.251 -3.974 -3.348 344 HE2 TYR 45 HE2 TYR 45 -7.232 0.001 -4.440 345 HH TYR 45 HH TYR 45 -9.022 -0.533 -3.221 346 H ASP 46 HN ASP 46 -4.392 -5.574 -3.493 347 HA ASP 46 HA ASP 46 -4.979 -8.110 -4.958 348 1HB ASP 46 HB2 ASP 46 -3.397 -7.955 -2.889 349 2HB ASP 46 HB1 ASP 46 -4.891 -7.858 -1.961 350 H ASP 47 HN ASP 47 -6.978 -6.828 -5.665 351 HA ASP 47 HA ASP 47 -9.055 -6.180 -3.825 352 1HB ASP 47 HB2 ASP 47 -9.183 -5.373 -6.094 353 2HB ASP 47 HB1 ASP 47 -9.168 -7.015 -6.731 354 H ALA 48 HN ALA 48 -7.719 -9.142 -4.468 355 HA ALA 48 HA ALA 48 -10.164 -10.740 -4.310 356 1HB ALA 48 HB2 ALA 48 -7.360 -11.204 -4.844 357 2HB ALA 48 HB1 ALA 48 -7.958 -12.361 -3.658 358 3HB ALA 48 HB3 ALA 48 -8.743 -12.223 -5.228 359 H THR 49 HN THR 49 -8.224 -9.093 -2.093 360 HA THR 49 HA THR 49 -9.675 -10.342 0.146 361 HB THR 49 HB THR 49 -7.376 -10.644 1.373 362 HG1 THR 49 HG1 THR 49 -6.687 -10.680 -1.391 363 1HG2 THR 49 HG22 THR 49 -8.858 -12.532 0.323 364 2HG2 THR 49 HG21 THR 49 -7.732 -12.453 -1.030 365 3HG2 THR 49 HG23 THR 49 -7.151 -12.886 0.574 366 H LYS 50 HN LYS 50 -9.047 -7.663 -1.287 367 HA LYS 50 HA LYS 50 -8.787 -5.419 -0.641 368 1HB LYS 50 HB2 LYS 50 -9.753 -6.549 2.000 369 2HB LYS 50 HB1 LYS 50 -9.759 -4.846 1.552 370 1HG LYS 50 HG2 LYS 50 -11.679 -5.093 0.386 371 2HG LYS 50 HG1 LYS 50 -11.017 -6.452 -0.514 372 1HD LYS 50 HD2 LYS 50 -12.985 -7.162 0.793 373 2HD LYS 50 HD1 LYS 50 -11.531 -7.955 1.391 374 1HE LYS 50 HE2 LYS 50 -11.921 -5.391 2.702 375 2HE LYS 50 HE1 LYS 50 -13.342 -6.410 2.893 376 1HZ LYS 50 HZ3 LYS 50 -10.689 -7.580 3.327 377 2HZ LYS 50 HZ2 LYS 50 -11.357 -6.590 4.534 378 3HZ LYS 50 HZ1 LYS 50 -12.180 -7.988 4.031 379 H THR 51 HN THR 51 -6.421 -6.364 -0.827 380 HA THR 51 HA THR 51 -4.986 -5.369 1.589 381 HB THR 51 HB THR 51 -4.770 -8.128 0.366 382 HG1 THR 51 HG1 THR 51 -4.270 -7.489 3.006 383 1HG2 THR 51 HG23 THR 51 -2.609 -6.668 1.934 384 2HG2 THR 51 HG22 THR 51 -2.636 -8.398 1.639 385 3HG2 THR 51 HG21 THR 51 -2.433 -7.281 0.296 386 H PHE 52 HN PHE 52 -3.678 -3.756 0.853 387 HA PHE 52 HA PHE 52 -2.965 -3.611 -1.974 388 1HB PHE 52 HB2 PHE 52 -2.980 -1.830 0.302 389 2HB PHE 52 HB1 PHE 52 -1.471 -1.711 -0.592 390 HD1 PHE 52 HD1 PHE 52 -1.510 -1.126 -3.038 391 HD2 PHE 52 HD2 PHE 52 -5.049 -1.158 -0.706 392 HE1 PHE 52 HE1 PHE 52 -2.700 0.119 -4.798 393 HE2 PHE 52 HE2 PHE 52 -6.190 0.194 -2.380 394 HZ PHE 52 HZ PHE 52 -5.006 0.875 -4.413 395 H THR 53 HN THR 53 -0.675 -3.364 -2.657 396 HA THR 53 HA THR 53 1.398 -4.324 -0.834 397 HB THR 53 HB THR 53 0.416 -6.089 -3.102 398 HG1 THR 53 HG1 THR 53 -0.085 -7.348 -1.398 399 1HG2 THR 53 HG21 THR 53 3.076 -5.836 -1.821 400 2HG2 THR 53 HG23 THR 53 2.386 -7.454 -1.733 401 3HG2 THR 53 HG22 THR 53 2.637 -6.688 -3.299 402 H VAL 54 HN VAL 54 3.310 -3.481 -1.408 403 HA VAL 54 HA VAL 54 3.682 -2.607 -4.246 404 HB VAL 54 HB VAL 54 3.068 -0.674 -2.739 405 1HG1 VAL 54 HG13 VAL 54 4.254 -1.699 -0.749 406 2HG1 VAL 54 HG12 VAL 54 5.770 -1.190 -1.480 407 3HG1 VAL 54 HG11 VAL 54 4.573 0.009 -1.006 408 1HG2 VAL 54 HG22 VAL 54 5.845 -0.756 -3.952 409 2HG2 VAL 54 HG21 VAL 54 4.372 -0.164 -4.698 410 3HG2 VAL 54 HG23 VAL 54 5.093 0.720 -3.365 411 H THR 55 HN THR 55 5.856 -2.638 -4.942 412 HA THR 55 HA THR 55 7.839 -3.842 -3.075 413 HB THR 55 HB THR 55 7.203 -4.979 -5.831 414 HG1 THR 55 HG1 THR 55 7.047 -6.512 -3.580 415 1HG2 THR 55 HG21 THR 55 9.434 -5.322 -3.906 416 2HG2 THR 55 HG23 THR 55 8.647 -6.824 -4.382 417 3HG2 THR 55 HG22 THR 55 9.352 -5.775 -5.604 418 H GLU 56 HN GLU 56 9.590 -2.587 -3.136 419 HA GLU 56 HA GLU 56 10.067 -0.559 -5.067 420 1HB GLU 56 HB2 GLU 56 11.208 -1.302 -2.667 421 2HB GLU 56 HB1 GLU 56 12.494 -1.647 -3.818 422 1HG GLU 56 HG2 GLU 56 10.998 0.991 -3.586 423 2HG GLU 56 HG1 GLU 56 12.636 0.691 -3.017 Start of MODEL 16 Raw file had 423 H/Q atoms Entry Start of MODEL 16 1 1H MET 1 HT1 MET 1 -13.617 0.022 5.307 2 2H MET 1 HT3 MET 1 -14.489 1.099 4.325 3 3H MET 1 HT2 MET 1 -15.028 -0.500 4.519 4 HA MET 1 HA MET 1 -13.515 -1.362 3.094 5 1HB MET 1 HB2 MET 1 -13.520 1.503 2.119 6 2HB MET 1 HB1 MET 1 -13.312 0.050 1.147 7 1HG MET 1 HG2 MET 1 -15.783 0.907 2.657 8 2HG MET 1 HG1 MET 1 -15.592 0.839 0.926 9 1HE MET 1 HE3 MET 1 -15.395 -1.239 -0.470 10 2HE MET 1 HE2 MET 1 -16.693 -2.400 -0.189 11 3HE MET 1 HE1 MET 1 -17.051 -0.674 -0.240 12 H THR 2 HN THR 2 -11.880 -1.435 4.959 13 HA THR 2 HA THR 2 -9.574 0.387 4.460 14 HB THR 2 HB THR 2 -9.759 -1.610 6.734 15 HG1 THR 2 HG1 THR 2 -11.112 -0.233 7.688 16 1HG2 THR 2 HG22 THR 2 -7.693 -0.030 6.101 17 2HG2 THR 2 HG21 THR 2 -8.703 1.203 6.852 18 3HG2 THR 2 HG23 THR 2 -8.196 -0.205 7.780 19 OH TYR 3 OH TYR 3 -11.579 0.250 -1.030 20 H TYR 3 HN TYR 3 -7.908 -0.332 3.288 21 HA TYR 3 HA TYR 3 -7.700 -3.264 2.778 22 1HB TYR 3 HB2 TYR 3 -6.102 -1.141 1.360 23 2HB TYR 3 HB1 TYR 3 -6.547 -2.744 0.789 24 HD1 TYR 3 HD1 TYR 3 -7.947 0.597 1.651 25 HD2 TYR 3 HD2 TYR 3 -8.606 -3.093 -0.355 26 HE1 TYR 3 HE1 TYR 3 -9.973 1.517 0.620 27 HE2 TYR 3 HE2 TYR 3 -10.631 -2.176 -1.384 28 HH TYR 3 HH TYR 3 -11.677 1.158 -0.734 29 H LYS 4 HN LYS 4 -5.477 -4.171 2.674 30 HA LYS 4 HA LYS 4 -3.777 -2.993 4.845 31 1HB LYS 4 HB2 LYS 4 -4.977 -5.389 4.940 32 2HB LYS 4 HB1 LYS 4 -3.541 -5.856 4.054 33 1HG LYS 4 HG2 LYS 4 -2.345 -4.408 5.976 34 2HG LYS 4 HG1 LYS 4 -3.785 -4.899 6.862 35 1HD LYS 4 HD2 LYS 4 -3.283 -7.282 6.024 36 2HD LYS 4 HD1 LYS 4 -1.699 -6.665 5.570 37 1HE LYS 4 HE2 LYS 4 -2.917 -6.883 8.322 38 2HE LYS 4 HE1 LYS 4 -1.357 -7.474 7.764 39 1HZ LYS 4 HZ2 LYS 4 -0.845 -5.011 7.379 40 2HZ LYS 4 HZ1 LYS 4 -2.160 -4.717 8.414 41 3HZ LYS 4 HZ3 LYS 4 -0.823 -5.603 8.971 42 H LEU 5 HN LEU 5 -1.934 -2.147 4.086 43 HA LEU 5 HA LEU 5 -0.947 -2.889 1.433 44 1HB LEU 5 HB2 LEU 5 -0.804 -0.551 2.014 45 2HB LEU 5 HB1 LEU 5 -0.007 -0.912 3.538 46 HG LEU 5 HG LEU 5 1.984 -1.788 2.198 47 1HD1 LEU 5 HD13 LEU 5 0.450 -0.519 -0.093 48 2HD1 LEU 5 HD12 LEU 5 2.107 -1.104 -0.179 49 3HD1 LEU 5 HD11 LEU 5 0.788 -2.237 0.072 50 1HD2 LEU 5 HD22 LEU 5 1.775 0.554 3.136 51 2HD2 LEU 5 HD21 LEU 5 2.862 0.396 1.762 52 3HD2 LEU 5 HD23 LEU 5 1.252 1.063 1.535 53 H ILE 6 HN ILE 6 1.099 -3.761 1.004 54 HA ILE 6 HA ILE 6 2.494 -5.068 3.262 55 HB ILE 6 HB ILE 6 1.691 -6.221 0.601 56 1HG1 ILE 6 HG12 ILE 6 1.530 -7.304 3.439 57 2HG1 ILE 6 HG11 ILE 6 0.214 -6.451 2.645 58 1HG2 ILE 6 HG21 ILE 6 3.966 -6.990 2.431 59 2HG2 ILE 6 HG23 ILE 6 3.181 -8.199 1.422 60 3HG2 ILE 6 HG22 ILE 6 3.981 -6.820 0.679 61 1HD1 ILE 6 HD1 ILE 6 0.783 -8.330 0.746 62 2HD1 ILE 6 HD3 ILE 6 1.213 -9.216 2.204 63 3HD1 ILE 6 HD2 ILE 6 -0.411 -8.569 2.013 64 H LEU 7 HN LEU 7 4.271 -3.784 3.385 65 HA LEU 7 HA LEU 7 5.533 -2.698 0.992 66 1HB LEU 7 HB2 LEU 7 6.272 -2.629 3.912 67 2HB LEU 7 HB1 LEU 7 7.245 -1.864 2.662 68 HG LEU 7 HG LEU 7 4.357 -1.248 2.517 69 1HD1 LEU 7 HD12 LEU 7 6.071 -0.232 4.813 70 2HD1 LEU 7 HD11 LEU 7 4.466 0.366 4.400 71 3HD1 LEU 7 HD13 LEU 7 4.670 -1.288 4.971 72 1HD2 LEU 7 HD21 LEU 7 6.101 -0.178 1.106 73 2HD2 LEU 7 HD23 LEU 7 5.270 1.009 2.106 74 3HD2 LEU 7 HD22 LEU 7 6.877 0.450 2.556 75 H ASN 8 HN ASN 8 6.731 -3.939 -0.298 76 HA ASN 8 HA ASN 8 8.373 -6.097 0.938 77 1HB ASN 8 HB2 ASN 8 6.865 -5.807 -1.541 78 2HB ASN 8 HB1 ASN 8 8.504 -6.346 -1.845 79 1HD2 ASN 8 HD22 ASN 8 5.958 -9.067 -0.775 80 2HD2 ASN 8 HD21 ASN 8 5.655 -7.663 -1.670 81 H GLY 9 HN GLY 9 9.239 -3.455 1.254 82 1HA GLY 9 HA2 GLY 9 11.019 -2.502 -0.730 83 2HA GLY 9 HA1 GLY 9 11.190 -2.167 0.986 84 H LYS 10 HN LYS 10 13.148 -2.907 -1.192 85 HA LYS 10 HA LYS 10 14.139 -5.544 -0.737 86 1HB LYS 10 HB2 LYS 10 15.212 -3.029 -1.905 87 2HB LYS 10 HB1 LYS 10 16.391 -4.242 -1.417 88 1HG LYS 10 HG2 LYS 10 15.406 -5.903 -2.840 89 2HG LYS 10 HG1 LYS 10 13.976 -4.916 -3.117 90 1HD LYS 10 HD2 LYS 10 15.019 -3.616 -4.689 91 2HD LYS 10 HD1 LYS 10 16.556 -3.638 -3.832 92 1HE LYS 10 HE2 LYS 10 16.999 -5.916 -4.609 93 2HE LYS 10 HE1 LYS 10 15.418 -5.991 -5.376 94 1HZ LYS 10 HZ1 LYS 10 16.959 -3.720 -6.199 95 2HZ LYS 10 HZ3 LYS 10 17.716 -5.196 -6.564 96 3HZ LYS 10 HZ2 LYS 10 16.148 -4.881 -7.137 97 H THR 11 HN THR 11 15.276 -2.442 0.583 98 HA THR 11 HA THR 11 16.816 -3.879 2.638 99 HB THR 11 HB THR 11 17.886 -1.786 3.033 100 HG1 THR 11 HG1 THR 11 16.285 -0.112 1.727 101 1HG2 THR 11 HG21 THR 11 18.164 -2.526 0.598 102 2HG2 THR 11 HG23 THR 11 16.837 -1.438 0.206 103 3HG2 THR 11 HG22 THR 11 18.339 -0.795 0.861 104 H LEU 12 HN LEU 12 13.662 -3.150 2.347 105 HA LEU 12 HA LEU 12 13.292 -3.142 5.267 106 1HB LEU 12 HB2 LEU 12 13.593 -0.706 4.453 107 2HB LEU 12 HB1 LEU 12 12.000 -0.897 3.732 108 HG LEU 12 HG LEU 12 11.481 -1.880 6.198 109 1HD1 LEU 12 HD11 LEU 12 13.973 -1.261 6.718 110 2HD1 LEU 12 HD13 LEU 12 13.368 0.391 6.804 111 3HD1 LEU 12 HD12 LEU 12 12.736 -0.838 7.896 112 1HD2 LEU 12 HD22 LEU 12 11.563 1.058 5.427 113 2HD2 LEU 12 HD21 LEU 12 10.252 -0.062 5.066 114 3HD2 LEU 12 HD23 LEU 12 10.598 0.381 6.735 115 H LYS 13 HN LYS 13 11.217 -3.756 5.910 116 HA LYS 13 HA LYS 13 9.181 -4.227 3.810 117 1HB LYS 13 HB2 LYS 13 10.281 -6.414 5.594 118 2HB LYS 13 HB1 LYS 13 8.866 -6.581 4.563 119 1HG LYS 13 HG2 LYS 13 10.458 -5.795 2.646 120 2HG LYS 13 HG1 LYS 13 11.752 -6.228 3.758 121 1HD LYS 13 HD2 LYS 13 10.443 -8.475 4.029 122 2HD LYS 13 HD1 LYS 13 9.648 -8.007 2.530 123 1HE LYS 13 HE2 LYS 13 12.003 -7.634 1.576 124 2HE LYS 13 HE1 LYS 13 12.600 -8.479 2.998 125 1HZ LYS 13 HZ1 LYS 13 10.659 -9.566 1.036 126 2HZ LYS 13 HZ3 LYS 13 12.305 -9.973 1.130 127 3HZ LYS 13 HZ2 LYS 13 11.255 -10.383 2.401 128 H GLY 14 HN GLY 14 7.108 -4.080 4.585 129 1HA GLY 14 HA2 GLY 14 6.558 -4.312 7.449 130 2HA GLY 14 HA1 GLY 14 6.462 -2.661 6.846 131 H GLU 15 HN GLU 15 4.199 -2.882 7.556 132 HA GLU 15 HA GLU 15 2.435 -3.317 5.354 133 1HB GLU 15 HB2 GLU 15 1.168 -5.234 6.673 134 2HB GLU 15 HB1 GLU 15 2.483 -5.627 5.571 135 1HG GLU 15 HG2 GLU 15 3.983 -6.063 7.301 136 2HG GLU 15 HG1 GLU 15 3.148 -4.999 8.431 137 H THR 16 HN THR 16 0.750 -2.011 5.722 138 HA THR 16 HA THR 16 -0.242 -1.666 8.507 139 HB THR 16 HB THR 16 1.401 0.195 8.138 140 HG1 THR 16 HG1 THR 16 -0.742 0.323 9.231 141 1HG2 THR 16 HG23 THR 16 0.287 0.246 5.542 142 2HG2 THR 16 HG22 THR 16 -0.342 1.683 6.339 143 3HG2 THR 16 HG21 THR 16 1.396 1.432 6.217 144 H THR 17 HN THR 17 -2.299 -0.236 8.438 145 HA THR 17 HA THR 17 -3.840 -0.897 5.948 146 HB THR 17 HB THR 17 -5.688 -1.657 7.247 147 HG1 THR 17 HG1 THR 17 -5.684 -1.058 9.514 148 1HG2 THR 17 HG22 THR 17 -3.254 -2.847 7.808 149 2HG2 THR 17 HG21 THR 17 -3.788 -2.354 9.409 150 3HG2 THR 17 HG23 THR 17 -4.795 -3.420 8.434 151 H THR 18 HN THR 18 -5.095 0.684 5.118 152 HA THR 18 HA THR 18 -5.417 3.199 6.712 153 HB THR 18 HB THR 18 -3.651 3.233 4.753 154 HG1 THR 18 HG1 THR 18 -5.243 4.902 5.921 155 1HG2 THR 18 HG22 THR 18 -5.591 2.253 3.189 156 2HG2 THR 18 HG21 THR 18 -6.099 3.940 3.155 157 3HG2 THR 18 HG23 THR 18 -4.498 3.490 2.576 158 H GLU 19 HN GLU 19 -7.334 4.346 6.368 159 HA GLU 19 HA GLU 19 -9.530 2.706 5.252 160 1HB GLU 19 HB2 GLU 19 -10.128 3.564 7.353 161 2HB GLU 19 HB1 GLU 19 -9.390 5.129 7.027 162 1HG GLU 19 HG2 GLU 19 -11.158 5.813 5.629 163 2HG GLU 19 HG1 GLU 19 -11.694 4.160 5.339 164 H ALA 20 HN ALA 20 -10.281 3.043 3.262 165 HA ALA 20 HA ALA 20 -10.164 5.786 2.113 166 1HB ALA 20 HB3 ALA 20 -8.702 3.404 1.176 167 2HB ALA 20 HB2 ALA 20 -9.598 4.249 -0.083 168 3HB ALA 20 HB1 ALA 20 -8.388 5.108 0.865 169 H VAL 21 HN VAL 21 -11.867 6.280 0.776 170 HA VAL 21 HA VAL 21 -14.165 4.469 0.898 171 HB VAL 21 HB VAL 21 -14.314 6.982 1.123 172 1HG1 VAL 21 HG11 VAL 21 -12.748 7.029 -1.103 173 2HG1 VAL 21 HG13 VAL 21 -14.335 7.225 -1.837 174 3HG1 VAL 21 HG12 VAL 21 -13.779 8.372 -0.623 175 1HG2 VAL 21 HG21 VAL 21 -15.915 5.659 -1.095 176 2HG2 VAL 21 HG23 VAL 21 -16.296 5.601 0.623 177 3HG2 VAL 21 HG22 VAL 21 -16.384 7.128 -0.247 178 H ASP 22 HN ASP 22 -11.700 5.271 -1.389 179 HA ASP 22 HA ASP 22 -12.919 3.344 -3.298 180 1HB ASP 22 HB2 ASP 22 -12.507 4.837 -5.199 181 2HB ASP 22 HB1 ASP 22 -13.577 5.622 -4.041 182 H ALA 23 HN ALA 23 -11.363 2.585 -4.921 183 HA ALA 23 HA ALA 23 -8.856 1.887 -3.707 184 1HB ALA 23 HB3 ALA 23 -10.198 1.418 -6.305 185 2HB ALA 23 HB2 ALA 23 -8.441 1.299 -6.320 186 3HB ALA 23 HB1 ALA 23 -9.384 0.278 -5.239 187 H ALA 24 HN ALA 24 -9.842 4.587 -5.606 188 HA ALA 24 HA ALA 24 -7.269 5.267 -6.715 189 1HB ALA 24 HB2 ALA 24 -9.829 6.242 -6.996 190 2HB ALA 24 HB1 ALA 24 -9.040 7.529 -6.092 191 3HB ALA 24 HB3 ALA 24 -8.384 7.012 -7.642 192 H THR 25 HN THR 25 -9.020 6.957 -4.104 193 HA THR 25 HA THR 25 -6.760 8.363 -3.144 194 HB THR 25 HB THR 25 -8.924 9.077 -2.329 195 HG1 THR 25 HG1 THR 25 -7.304 7.717 -0.429 196 1HG2 THR 25 HG21 THR 25 -9.666 6.431 -2.296 197 2HG2 THR 25 HG23 THR 25 -9.305 6.689 -0.594 198 3HG2 THR 25 HG22 THR 25 -10.517 7.678 -1.395 199 H ALA 26 HN ALA 26 -7.600 5.038 -2.821 200 HA ALA 26 HA ALA 26 -6.075 4.506 -0.422 201 1HB ALA 26 HB3 ALA 26 -7.823 2.972 -1.482 202 2HB ALA 26 HB2 ALA 26 -6.593 2.545 -2.668 203 3HB ALA 26 HB1 ALA 26 -6.335 2.186 -0.963 204 H GLU 27 HN GLU 27 -5.368 4.358 -3.884 205 HA GLU 27 HA GLU 27 -2.696 3.404 -3.683 206 1HB GLU 27 HB2 GLU 27 -4.086 5.169 -5.711 207 2HB GLU 27 HB1 GLU 27 -2.427 4.625 -5.912 208 1HG GLU 27 HG2 GLU 27 -3.259 2.252 -5.637 209 2HG GLU 27 HG1 GLU 27 -4.898 2.889 -5.677 210 H LYS 28 HN LYS 28 -3.947 6.705 -3.950 211 HA LYS 28 HA LYS 28 -1.438 8.032 -3.647 212 1HB LYS 28 HB2 LYS 28 -3.569 9.051 -4.501 213 2HB LYS 28 HB1 LYS 28 -4.176 9.052 -2.851 214 1HG LYS 28 HG2 LYS 28 -1.714 10.258 -2.542 215 2HG LYS 28 HG1 LYS 28 -2.206 10.839 -4.128 216 1HD LYS 28 HD2 LYS 28 -3.869 10.999 -1.588 217 2HD LYS 28 HD1 LYS 28 -3.043 12.347 -2.361 218 1HE LYS 28 HE2 LYS 28 -4.483 11.292 -4.458 219 2HE LYS 28 HE1 LYS 28 -5.571 11.024 -3.102 220 1HZ LYS 28 HZ2 LYS 28 -4.386 13.617 -3.032 221 2HZ LYS 28 HZ1 LYS 28 -5.244 13.354 -4.474 222 3HZ LYS 28 HZ3 LYS 28 -6.024 13.173 -2.976 223 H VAL 29 HN VAL 29 -3.934 7.183 -1.264 224 HA VAL 29 HA VAL 29 -2.744 8.410 0.993 225 HB VAL 29 HB VAL 29 -4.443 5.924 0.734 226 1HG1 VAL 29 HG13 VAL 29 -3.212 7.240 3.151 227 2HG1 VAL 29 HG12 VAL 29 -4.770 6.431 3.283 228 3HG1 VAL 29 HG11 VAL 29 -3.346 5.524 2.780 229 1HG2 VAL 29 HG22 VAL 29 -5.113 8.527 0.385 230 2HG2 VAL 29 HG21 VAL 29 -6.224 7.345 1.070 231 3HG2 VAL 29 HG23 VAL 29 -5.306 8.409 2.132 232 H PHE 30 HN PHE 30 -2.456 5.002 -0.019 233 HA PHE 30 HA PHE 30 -0.408 4.378 1.877 234 1HB PHE 30 HB2 PHE 30 -1.375 3.098 -0.664 235 2HB PHE 30 HB1 PHE 30 0.084 2.498 0.111 236 HD1 PHE 30 HD1 PHE 30 -0.241 2.298 2.847 237 HD2 PHE 30 HD2 PHE 30 -3.340 1.978 -0.065 238 HE1 PHE 30 HE1 PHE 30 -1.626 1.049 4.446 239 HE2 PHE 30 HE2 PHE 30 -4.699 0.711 1.538 240 HZ PHE 30 HZ PHE 30 -3.841 0.228 3.785 241 H LYS 31 HN LYS 31 -0.264 5.451 -1.501 242 HA LYS 31 HA LYS 31 2.549 5.207 -1.850 243 1HB LYS 31 HB2 LYS 31 0.889 5.724 -3.663 244 2HB LYS 31 HB1 LYS 31 0.781 7.365 -3.030 245 1HG LYS 31 HG2 LYS 31 3.531 6.916 -3.247 246 2HG LYS 31 HG1 LYS 31 2.866 6.143 -4.681 247 1HD LYS 31 HD2 LYS 31 1.583 8.238 -5.165 248 2HD LYS 31 HD1 LYS 31 2.372 9.004 -3.789 249 1HE LYS 31 HE2 LYS 31 3.937 7.725 -6.044 250 2HE LYS 31 HE1 LYS 31 3.451 9.415 -6.081 251 1HZ LYS 31 HZ1 LYS 31 4.534 9.235 -3.650 252 2HZ LYS 31 HZ3 LYS 31 5.484 8.109 -4.495 253 3HZ LYS 31 HZ2 LYS 31 5.387 9.716 -5.038 254 H GLN 32 HN GLN 32 0.608 7.673 -0.293 255 HA GLN 32 HA GLN 32 2.737 9.595 0.019 256 1HB GLN 32 HB2 GLN 32 0.245 10.039 0.283 257 2HB GLN 32 HB1 GLN 32 0.348 9.239 1.847 258 1HG GLN 32 HG2 GLN 32 2.461 10.974 2.014 259 2HG GLN 32 HG1 GLN 32 1.340 11.907 1.025 260 1HE2 GLN 32 HE22 GLN 32 0.669 12.228 4.796 261 2HE2 GLN 32 HE21 GLN 32 2.139 12.230 3.945 262 OH TYR 33 OH TYR 33 5.054 2.701 8.025 263 H TYR 33 HN TYR 33 1.758 6.731 1.705 264 HA TYR 33 HA TYR 33 3.376 7.264 4.078 265 1HB TYR 33 HB2 TYR 33 1.381 5.858 4.263 266 2HB TYR 33 HB1 TYR 33 2.046 4.731 3.086 267 HD1 TYR 33 HD1 TYR 33 4.143 3.455 3.657 268 HD2 TYR 33 HD2 TYR 33 2.083 5.785 6.558 269 HE1 TYR 33 HE1 TYR 33 5.334 2.279 5.445 270 HE2 TYR 33 HE2 TYR 33 3.274 4.608 8.349 271 HH TYR 33 HH TYR 33 4.854 1.764 7.948 272 H ALA 34 HN ALA 34 3.559 4.821 1.499 273 HA ALA 34 HA ALA 34 6.053 3.720 2.078 274 1HB ALA 34 HB2 ALA 34 4.786 4.329 -0.600 275 2HB ALA 34 HB1 ALA 34 6.270 3.394 -0.438 276 3HB ALA 34 HB3 ALA 34 4.773 2.800 0.273 277 H ASN 35 HN ASN 35 5.336 6.784 0.525 278 HA ASN 35 HA ASN 35 7.947 7.423 -0.403 279 1HB ASN 35 HB2 ASN 35 5.785 8.681 -0.876 280 2HB ASN 35 HB1 ASN 35 5.969 9.420 0.713 281 1HD2 ASN 35 HD22 ASN 35 7.651 11.554 -1.904 282 2HD2 ASN 35 HD21 ASN 35 6.082 10.924 -1.753 283 H ASP 36 HN ASP 36 6.457 7.736 2.761 284 HA ASP 36 HA ASP 36 8.653 9.246 3.918 285 1HB ASP 36 HB2 ASP 36 6.458 7.625 5.241 286 2HB ASP 36 HB1 ASP 36 7.535 8.745 6.073 287 H ASN 37 HN ASN 37 9.011 6.493 2.569 288 HA ASN 37 HA ASN 37 10.850 5.443 4.664 289 1HB ASN 37 HB2 ASN 37 8.787 3.834 3.143 290 2HB ASN 37 HB1 ASN 37 10.132 3.105 4.013 291 1HD2 ASN 37 HD22 ASN 37 7.248 5.060 6.212 292 2HD2 ASN 37 HD21 ASN 37 7.579 5.583 4.631 293 H GLY 38 HN GLY 38 9.887 5.601 1.298 294 1HA GLY 38 HA2 GLY 38 11.576 5.982 -0.435 295 2HA GLY 38 HA1 GLY 38 12.722 5.063 0.535 296 H VAL 39 HN VAL 39 9.549 3.796 0.356 297 HA VAL 39 HA VAL 39 10.562 1.562 -1.313 298 HB VAL 39 HB VAL 39 7.914 1.748 0.140 299 1HG1 VAL 39 HG11 VAL 39 9.590 -0.562 -0.907 300 2HG1 VAL 39 HG13 VAL 39 8.112 -0.744 0.033 301 3HG1 VAL 39 HG12 VAL 39 8.053 -0.012 -1.567 302 1HG2 VAL 39 HG23 VAL 39 10.667 0.912 1.076 303 2HG2 VAL 39 HG22 VAL 39 9.537 2.012 1.861 304 3HG2 VAL 39 HG21 VAL 39 9.209 0.282 1.837 305 H ASP 40 HN ASP 40 10.446 3.293 -3.109 306 HA ASP 40 HA ASP 40 7.693 3.385 -4.277 307 1HB ASP 40 HB2 ASP 40 10.136 5.096 -4.792 308 2HB ASP 40 HB1 ASP 40 8.637 5.217 -5.712 309 H GLY 41 HN GLY 41 7.295 2.470 -6.229 310 1HA GLY 41 HA2 GLY 41 9.109 1.922 -8.299 311 2HA GLY 41 HA1 GLY 41 9.142 0.506 -7.251 312 H GLU 42 HN GLU 42 7.645 -1.015 -7.610 313 HA GLU 42 HA GLU 42 5.445 -0.388 -9.507 314 1HB GLU 42 HB2 GLU 42 5.976 -3.122 -8.424 315 2HB GLU 42 HB1 GLU 42 5.378 -2.658 -10.011 316 1HG GLU 42 HG2 GLU 42 8.211 -2.392 -8.961 317 2HG GLU 42 HG1 GLU 42 7.661 -3.365 -10.323 318 CH2 TRP 43 CH2 TRP 43 2.101 2.634 -2.290 319 H TRP 43 HN TRP 43 3.282 -0.777 -9.000 320 HA TRP 43 HA TRP 43 2.711 -1.242 -6.094 321 1HB TRP 43 HB2 TRP 43 1.626 0.801 -8.009 322 2HB TRP 43 HB1 TRP 43 0.679 0.300 -6.619 323 HD1 TRP 43 HD1 TRP 43 4.219 1.612 -7.444 324 HE1 TRP 43 HE1 TRP 43 4.964 2.973 -5.433 325 HE3 TRP 43 HE3 TRP 43 0.344 0.755 -4.446 326 HZ2 TRP 43 HZ2 TRP 43 3.983 3.552 -2.693 327 HZ3 TRP 43 HZ3 TRP 43 0.233 1.614 -2.162 328 HH2 TRP 43 HH2 TRP 43 2.051 3.005 -1.278 329 H THR 44 HN THR 44 1.197 -2.708 -5.622 330 HA THR 44 HA THR 44 -0.443 -3.812 -7.875 331 HB THR 44 HB THR 44 -0.262 -6.034 -6.532 332 HG1 THR 44 HG1 THR 44 2.092 -4.898 -5.563 333 1HG2 THR 44 HG21 THR 44 1.638 -4.776 -8.335 334 2HG2 THR 44 HG23 THR 44 2.500 -5.733 -7.135 335 3HG2 THR 44 HG22 THR 44 1.281 -6.491 -8.155 336 OH TYR 45 OH TYR 45 -8.869 -1.173 -3.028 337 H TYR 45 HN TYR 45 -2.468 -4.741 -7.270 338 HA TYR 45 HA TYR 45 -3.568 -3.799 -4.648 339 1HB TYR 45 HB2 TYR 45 -4.120 -2.346 -6.731 340 2HB TYR 45 HB1 TYR 45 -5.138 -3.695 -7.236 341 HD1 TYR 45 HD1 TYR 45 -6.617 -4.593 -4.921 342 HD2 TYR 45 HD2 TYR 45 -5.363 -0.634 -5.818 343 HE1 TYR 45 HE1 TYR 45 -8.359 -3.710 -3.461 344 HE2 TYR 45 HE2 TYR 45 -7.146 0.251 -4.401 345 HH TYR 45 HH TYR 45 -9.436 -1.903 -2.773 346 H ASP 46 HN ASP 46 -4.561 -5.406 -3.587 347 HA ASP 46 HA ASP 46 -5.281 -7.879 -5.112 348 1HB ASP 46 HB2 ASP 46 -3.562 -7.868 -3.146 349 2HB ASP 46 HB1 ASP 46 -4.990 -7.764 -2.121 350 H ASP 47 HN ASP 47 -7.339 -6.985 -5.735 351 HA ASP 47 HA ASP 47 -9.260 -6.093 -3.761 352 1HB ASP 47 HB2 ASP 47 -9.613 -5.323 -5.980 353 2HB ASP 47 HB1 ASP 47 -9.487 -6.948 -6.647 354 H ALA 48 HN ALA 48 -8.078 -9.134 -4.570 355 HA ALA 48 HA ALA 48 -10.503 -10.674 -4.150 356 1HB ALA 48 HB3 ALA 48 -7.896 -11.211 -5.030 357 2HB ALA 48 HB2 ALA 48 -8.067 -12.126 -3.536 358 3HB ALA 48 HB1 ALA 48 -9.206 -12.375 -4.856 359 H THR 49 HN THR 49 -8.130 -9.231 -2.094 360 HA THR 49 HA THR 49 -9.598 -10.291 0.266 361 HB THR 49 HB THR 49 -7.126 -10.488 1.300 362 HG1 THR 49 HG1 THR 49 -5.741 -11.103 -0.400 363 1HG2 THR 49 HG23 THR 49 -8.461 -12.474 -0.576 364 2HG2 THR 49 HG22 THR 49 -7.012 -12.866 0.346 365 3HG2 THR 49 HG21 THR 49 -8.513 -12.482 1.185 366 H LYS 50 HN LYS 50 -9.072 -7.661 -1.257 367 HA LYS 50 HA LYS 50 -8.676 -5.406 -0.699 368 1HB LYS 50 HB2 LYS 50 -9.495 -6.282 2.076 369 2HB LYS 50 HB1 LYS 50 -9.735 -4.706 1.330 370 1HG LYS 50 HG2 LYS 50 -11.091 -6.014 -0.473 371 2HG LYS 50 HG1 LYS 50 -11.137 -7.308 0.718 372 1HD LYS 50 HD2 LYS 50 -12.032 -5.613 2.382 373 2HD LYS 50 HD1 LYS 50 -12.182 -4.480 1.044 374 1HE LYS 50 HE2 LYS 50 -13.411 -6.649 -0.037 375 2HE LYS 50 HE1 LYS 50 -13.790 -6.902 1.661 376 1HZ LYS 50 HZ3 LYS 50 -14.150 -4.187 0.800 377 2HZ LYS 50 HZ2 LYS 50 -15.149 -5.289 -0.020 378 3HZ LYS 50 HZ1 LYS 50 -15.195 -5.199 1.676 379 H THR 51 HN THR 51 -6.352 -6.588 -0.858 380 HA THR 51 HA THR 51 -4.817 -5.639 1.540 381 HB THR 51 HB THR 51 -3.801 -7.944 -0.113 382 HG1 THR 51 HG1 THR 51 -6.178 -7.754 1.193 383 1HG2 THR 51 HG21 THR 51 -2.757 -6.832 2.081 384 2HG2 THR 51 HG23 THR 51 -3.979 -7.812 2.884 385 3HG2 THR 51 HG22 THR 51 -2.750 -8.579 1.887 386 H PHE 52 HN PHE 52 -3.648 -3.867 0.833 387 HA PHE 52 HA PHE 52 -2.970 -3.587 -1.991 388 1HB PHE 52 HB2 PHE 52 -3.018 -1.893 0.338 389 2HB PHE 52 HB1 PHE 52 -1.488 -1.730 -0.512 390 HD1 PHE 52 HD1 PHE 52 -1.488 -1.117 -2.968 391 HD2 PHE 52 HD2 PHE 52 -5.041 -1.152 -0.669 392 HE1 PHE 52 HE1 PHE 52 -2.638 0.203 -4.701 393 HE2 PHE 52 HE2 PHE 52 -6.142 0.277 -2.305 394 HZ PHE 52 HZ PHE 52 -4.928 1.000 -4.303 395 H THR 53 HN THR 53 -0.691 -3.287 -2.694 396 HA THR 53 HA THR 53 1.407 -4.273 -0.917 397 HB THR 53 HB THR 53 0.497 -5.963 -3.274 398 HG1 THR 53 HG1 THR 53 -0.632 -6.608 -1.567 399 1HG2 THR 53 HG22 THR 53 3.031 -5.844 -1.687 400 2HG2 THR 53 HG21 THR 53 2.332 -7.441 -1.934 401 3HG2 THR 53 HG23 THR 53 2.777 -6.451 -3.321 402 H VAL 54 HN VAL 54 3.376 -3.566 -1.543 403 HA VAL 54 HA VAL 54 3.694 -2.565 -4.338 404 HB VAL 54 HB VAL 54 3.140 -0.681 -2.706 405 1HG1 VAL 54 HG11 VAL 54 4.549 -1.829 -0.889 406 2HG1 VAL 54 HG13 VAL 54 5.950 -1.151 -1.708 407 3HG1 VAL 54 HG12 VAL 54 4.716 -0.088 -1.039 408 1HG2 VAL 54 HG23 VAL 54 5.734 -0.805 -4.250 409 2HG2 VAL 54 HG22 VAL 54 4.234 -0.012 -4.695 410 3HG2 VAL 54 HG21 VAL 54 5.237 0.667 -3.425 411 H THR 55 HN THR 55 5.819 -2.711 -5.102 412 HA THR 55 HA THR 55 7.802 -3.999 -3.274 413 HB THR 55 HB THR 55 7.453 -4.973 -6.121 414 HG1 THR 55 HG1 THR 55 5.477 -5.327 -5.274 415 1HG2 THR 55 HG21 THR 55 9.187 -5.665 -3.978 416 2HG2 THR 55 HG23 THR 55 7.948 -6.917 -4.014 417 3HG2 THR 55 HG22 THR 55 8.916 -6.595 -5.444 418 H GLU 56 HN GLU 56 9.633 -2.845 -3.320 419 HA GLU 56 HA GLU 56 10.123 -0.730 -5.183 420 1HB GLU 56 HB2 GLU 56 11.197 -1.428 -2.792 421 2HB GLU 56 HB1 GLU 56 12.481 -1.953 -3.874 422 1HG GLU 56 HG2 GLU 56 12.187 0.379 -5.000 423 2HG GLU 56 HG1 GLU 56 11.330 0.818 -3.524 Start of MODEL 17 Raw file had 423 H/Q atoms Entry Start of MODEL 17 1 1H MET 1 HT1 MET 1 -13.730 -1.055 5.691 2 2H MET 1 HT3 MET 1 -15.200 -1.246 4.862 3 3H MET 1 HT2 MET 1 -14.101 -2.537 4.950 4 HA MET 1 HA MET 1 -13.557 -1.837 2.894 5 1HB MET 1 HB2 MET 1 -14.262 0.982 3.757 6 2HB MET 1 HB1 MET 1 -13.804 0.492 2.130 7 1HG MET 1 HG2 MET 1 -16.249 -0.330 3.695 8 2HG MET 1 HG1 MET 1 -16.202 0.597 2.220 9 1HE MET 1 HE2 MET 1 -16.797 -2.615 3.879 10 2HE MET 1 HE1 MET 1 -18.094 -1.827 2.981 11 3HE MET 1 HE3 MET 1 -17.542 -3.433 2.506 12 H THR 2 HN THR 2 -11.812 -2.344 4.905 13 HA THR 2 HA THR 2 -9.705 -0.233 4.597 14 HB THR 2 HB THR 2 -9.618 -2.292 6.802 15 HG1 THR 2 HG1 THR 2 -11.420 -1.444 7.512 16 1HG2 THR 2 HG23 THR 2 -7.833 -0.420 6.284 17 2HG2 THR 2 HG22 THR 2 -9.052 0.672 6.932 18 3HG2 THR 2 HG21 THR 2 -8.393 -0.608 7.942 19 OH TYR 3 OH TYR 3 -11.757 -0.195 -0.775 20 H TYR 3 HN TYR 3 -8.005 -0.799 3.396 21 HA TYR 3 HA TYR 3 -7.605 -3.689 2.784 22 1HB TYR 3 HB2 TYR 3 -6.166 -1.429 1.423 23 2HB TYR 3 HB1 TYR 3 -6.546 -3.025 0.795 24 HD1 TYR 3 HD1 TYR 3 -8.109 0.181 1.877 25 HD2 TYR 3 HD2 TYR 3 -8.591 -3.401 -0.358 26 HE1 TYR 3 HE1 TYR 3 -10.201 1.048 0.939 27 HE2 TYR 3 HE2 TYR 3 -10.679 -2.533 -1.304 28 HH TYR 3 HH TYR 3 -11.952 0.641 -0.343 29 H LYS 4 HN LYS 4 -5.497 -4.601 2.884 30 HA LYS 4 HA LYS 4 -3.799 -3.323 4.979 31 1HB LYS 4 HB2 LYS 4 -4.842 -5.789 4.994 32 2HB LYS 4 HB1 LYS 4 -3.387 -6.142 4.081 33 1HG LYS 4 HG2 LYS 4 -2.275 -4.677 6.063 34 2HG LYS 4 HG1 LYS 4 -3.673 -5.303 6.928 35 1HD LYS 4 HD2 LYS 4 -1.928 -6.918 7.245 36 2HD LYS 4 HD1 LYS 4 -3.033 -7.616 6.069 37 1HE LYS 4 HE2 LYS 4 -1.119 -6.052 4.623 38 2HE LYS 4 HE1 LYS 4 -0.233 -7.057 5.760 39 1HZ LYS 4 HZ3 LYS 4 -2.314 -8.529 4.523 40 2HZ LYS 4 HZ2 LYS 4 -1.304 -7.826 3.352 41 3HZ LYS 4 HZ1 LYS 4 -0.644 -8.837 4.546 42 H LEU 5 HN LEU 5 -1.900 -2.462 4.362 43 HA LEU 5 HA LEU 5 -0.921 -3.029 1.636 44 1HB LEU 5 HB2 LEU 5 -0.921 -0.698 2.242 45 2HB LEU 5 HB1 LEU 5 -0.128 -1.026 3.772 46 HG LEU 5 HG LEU 5 1.931 -1.775 2.433 47 1HD1 LEU 5 HD11 LEU 5 0.375 -0.482 0.173 48 2HD1 LEU 5 HD13 LEU 5 2.044 -1.025 0.088 49 3HD1 LEU 5 HD12 LEU 5 0.751 -2.198 0.282 50 1HD2 LEU 5 HD23 LEU 5 1.583 0.526 3.450 51 2HD2 LEU 5 HD22 LEU 5 2.708 0.458 2.099 52 3HD2 LEU 5 HD21 LEU 5 1.074 1.057 1.853 53 H ILE 6 HN ILE 6 1.183 -3.790 1.211 54 HA ILE 6 HA ILE 6 2.655 -4.988 3.478 55 HB ILE 6 HB ILE 6 2.288 -6.320 0.787 56 1HG1 ILE 6 HG12 ILE 6 0.858 -6.692 3.434 57 2HG1 ILE 6 HG11 ILE 6 0.139 -6.363 1.862 58 1HG2 ILE 6 HG21 ILE 6 4.366 -6.785 2.254 59 2HG2 ILE 6 HG23 ILE 6 3.249 -7.533 3.388 60 3HG2 ILE 6 HG22 ILE 6 3.421 -8.181 1.761 61 1HD1 ILE 6 HD2 ILE 6 1.209 -8.593 1.106 62 2HD1 ILE 6 HD1 ILE 6 1.445 -8.918 2.821 63 3HD1 ILE 6 HD3 ILE 6 -0.178 -8.699 2.183 64 H LEU 7 HN LEU 7 4.396 -3.685 3.549 65 HA LEU 7 HA LEU 7 5.573 -2.573 1.123 66 1HB LEU 7 HB2 LEU 7 6.386 -2.487 4.027 67 2HB LEU 7 HB1 LEU 7 7.301 -1.693 2.752 68 HG LEU 7 HG LEU 7 4.448 -1.103 2.555 69 1HD1 LEU 7 HD11 LEU 7 5.917 -0.306 5.092 70 2HD1 LEU 7 HD13 LEU 7 4.346 0.312 4.592 71 3HD1 LEU 7 HD12 LEU 7 4.531 -1.389 5.007 72 1HD2 LEU 7 HD23 LEU 7 6.276 0.144 1.428 73 2HD2 LEU 7 HD22 LEU 7 5.334 1.204 2.472 74 3HD2 LEU 7 HD21 LEU 7 6.910 0.623 2.999 75 H ASN 8 HN ASN 8 6.919 -3.628 -0.159 76 HA ASN 8 HA ASN 8 8.523 -5.865 0.995 77 1HB ASN 8 HB2 ASN 8 7.044 -5.487 -1.459 78 2HB ASN 8 HB1 ASN 8 8.714 -5.865 -1.828 79 1HD2 ASN 8 HD22 ASN 8 6.405 -8.861 -0.973 80 2HD2 ASN 8 HD21 ASN 8 5.973 -7.411 -1.729 81 H GLY 9 HN GLY 9 9.315 -3.207 1.470 82 1HA GLY 9 HA2 GLY 9 11.133 -2.070 -0.339 83 2HA GLY 9 HA1 GLY 9 11.295 -1.935 1.401 84 H LYS 10 HN LYS 10 13.268 -2.366 -0.818 85 HA LYS 10 HA LYS 10 14.328 -4.970 -0.853 86 1HB LYS 10 HB2 LYS 10 15.204 -3.161 -2.263 87 2HB LYS 10 HB1 LYS 10 15.841 -2.345 -0.839 88 1HG LYS 10 HG2 LYS 10 17.658 -3.700 -0.760 89 2HG LYS 10 HG1 LYS 10 16.679 -5.146 -0.977 90 1HD LYS 10 HD2 LYS 10 16.556 -4.701 -3.408 91 2HD LYS 10 HD1 LYS 10 17.528 -3.250 -3.193 92 1HE LYS 10 HE2 LYS 10 19.436 -4.458 -3.193 93 2HE LYS 10 HE1 LYS 10 18.821 -5.511 -1.925 94 1HZ LYS 10 HZ3 LYS 10 18.115 -5.789 -4.790 95 2HZ LYS 10 HZ2 LYS 10 19.359 -6.659 -4.028 96 3HZ LYS 10 HZ1 LYS 10 17.749 -6.870 -3.532 97 H THR 11 HN THR 11 15.040 -2.338 1.415 98 HA THR 11 HA THR 11 16.139 -4.375 3.309 99 HB THR 11 HB THR 11 17.299 -2.123 4.207 100 HG1 THR 11 HG1 THR 11 16.598 -0.658 2.807 101 1HG2 THR 11 HG22 THR 11 18.128 -3.684 1.733 102 2HG2 THR 11 HG21 THR 11 19.173 -2.519 2.539 103 3HG2 THR 11 HG23 THR 11 18.669 -3.979 3.383 104 H LEU 12 HN LEU 12 13.417 -2.782 2.785 105 HA LEU 12 HA LEU 12 12.899 -2.481 5.706 106 1HB LEU 12 HB2 LEU 12 13.482 -0.233 4.659 107 2HB LEU 12 HB1 LEU 12 11.994 -0.384 3.731 108 HG LEU 12 HG LEU 12 10.969 -0.914 6.146 109 1HD1 LEU 12 HD11 LEU 12 13.168 -0.787 7.287 110 2HD1 LEU 12 HD13 LEU 12 13.361 0.869 6.724 111 3HD1 LEU 12 HD12 LEU 12 12.082 0.470 7.866 112 1HD2 LEU 12 HD21 LEU 12 11.629 1.759 4.897 113 2HD2 LEU 12 HD23 LEU 12 10.096 0.893 4.873 114 3HD2 LEU 12 HD22 LEU 12 10.657 1.648 6.362 115 H LYS 13 HN LYS 13 11.542 -4.221 5.772 116 HA LYS 13 HA LYS 13 9.200 -4.208 3.925 117 1HB LYS 13 HB2 LYS 13 10.214 -6.419 5.723 118 2HB LYS 13 HB1 LYS 13 8.892 -6.552 4.572 119 1HG LYS 13 HG2 LYS 13 10.336 -6.908 2.873 120 2HG LYS 13 HG1 LYS 13 11.234 -5.448 3.275 121 1HD LYS 13 HD2 LYS 13 12.472 -6.681 5.021 122 2HD LYS 13 HD1 LYS 13 11.564 -8.140 4.643 123 1HE LYS 13 HE2 LYS 13 12.416 -7.769 2.207 124 2HE LYS 13 HE1 LYS 13 13.604 -6.703 2.947 125 1HZ LYS 13 HZ3 LYS 13 13.672 -8.937 4.496 126 2HZ LYS 13 HZ2 LYS 13 13.485 -9.556 2.925 127 3HZ LYS 13 HZ1 LYS 13 14.788 -8.527 3.283 128 H GLY 14 HN GLY 14 7.157 -3.969 4.696 129 1HA GLY 14 HA2 GLY 14 6.575 -4.247 7.553 130 2HA GLY 14 HA1 GLY 14 6.526 -2.583 6.977 131 H GLU 15 HN GLU 15 4.241 -2.771 7.661 132 HA GLU 15 HA GLU 15 2.509 -3.132 5.415 133 1HB GLU 15 HB2 GLU 15 1.171 -5.057 6.355 134 2HB GLU 15 HB1 GLU 15 2.765 -5.506 5.765 135 1HG GLU 15 HG2 GLU 15 2.994 -4.694 8.519 136 2HG GLU 15 HG1 GLU 15 1.713 -5.894 8.383 137 H THR 16 HN THR 16 0.676 -1.994 5.761 138 HA THR 16 HA THR 16 -0.303 -1.602 8.523 139 HB THR 16 HB THR 16 1.348 0.265 8.191 140 HG1 THR 16 HG1 THR 16 -1.368 1.087 8.014 141 1HG2 THR 16 HG23 THR 16 0.300 0.357 5.587 142 2HG2 THR 16 HG22 THR 16 -0.421 1.746 6.388 143 3HG2 THR 16 HG21 THR 16 1.330 1.580 6.318 144 H THR 17 HN THR 17 -2.462 -0.811 8.607 145 HA THR 17 HA THR 17 -3.929 -1.234 6.039 146 HB THR 17 HB THR 17 -5.763 -2.048 7.327 147 HG1 THR 17 HG1 THR 17 -4.440 -0.530 9.332 148 1HG2 THR 17 HG22 THR 17 -3.300 -3.190 7.841 149 2HG2 THR 17 HG21 THR 17 -3.823 -2.735 9.459 150 3HG2 THR 17 HG23 THR 17 -4.819 -3.808 8.481 151 H THR 18 HN THR 18 -5.223 0.307 5.211 152 HA THR 18 HA THR 18 -5.647 2.802 6.810 153 HB THR 18 HB THR 18 -3.853 2.907 4.875 154 HG1 THR 18 HG1 THR 18 -6.047 4.692 4.767 155 1HG2 THR 18 HG22 THR 18 -5.731 1.872 3.275 156 2HG2 THR 18 HG21 THR 18 -6.305 3.536 3.248 157 3HG2 THR 18 HG23 THR 18 -4.680 3.156 2.687 158 H GLU 19 HN GLU 19 -7.614 3.856 6.469 159 HA GLU 19 HA GLU 19 -9.697 2.143 5.230 160 1HB GLU 19 HB2 GLU 19 -9.964 3.070 7.563 161 2HB GLU 19 HB1 GLU 19 -10.069 4.673 6.845 162 1HG GLU 19 HG2 GLU 19 -12.035 4.027 5.560 163 2HG GLU 19 HG1 GLU 19 -11.879 2.354 6.090 164 H ALA 20 HN ALA 20 -10.448 2.571 3.265 165 HA ALA 20 HA ALA 20 -10.441 5.389 2.293 166 1HB ALA 20 HB1 ALA 20 -9.007 3.056 1.127 167 2HB ALA 20 HB3 ALA 20 -9.798 4.152 0.001 168 3HB ALA 20 HB2 ALA 20 -8.572 4.761 1.109 169 H VAL 21 HN VAL 21 -12.207 5.922 1.097 170 HA VAL 21 HA VAL 21 -14.468 4.123 1.127 171 HB VAL 21 HB VAL 21 -14.997 6.424 1.276 172 1HG1 VAL 21 HG13 VAL 21 -13.148 6.701 -1.106 173 2HG1 VAL 21 HG12 VAL 21 -14.248 7.987 -0.622 174 3HG1 VAL 21 HG11 VAL 21 -12.986 7.447 0.480 175 1HG2 VAL 21 HG23 VAL 21 -16.298 4.951 -0.458 176 2HG2 VAL 21 HG22 VAL 21 -16.557 6.692 -0.469 177 3HG2 VAL 21 HG21 VAL 21 -15.493 5.953 -1.661 178 H ASP 22 HN ASP 22 -11.977 4.832 -1.183 179 HA ASP 22 HA ASP 22 -13.146 2.779 -2.983 180 1HB ASP 22 HB2 ASP 22 -12.493 4.336 -4.944 181 2HB ASP 22 HB1 ASP 22 -13.974 4.707 -4.066 182 H ALA 23 HN ALA 23 -11.507 2.396 -4.865 183 HA ALA 23 HA ALA 23 -8.986 1.672 -3.601 184 1HB ALA 23 HB3 ALA 23 -10.345 1.155 -6.171 185 2HB ALA 23 HB2 ALA 23 -8.586 1.185 -6.255 186 3HB ALA 23 HB1 ALA 23 -9.398 0.067 -5.164 187 H ALA 24 HN ALA 24 -10.074 4.150 -5.830 188 HA ALA 24 HA ALA 24 -7.571 5.049 -6.797 189 1HB ALA 24 HB2 ALA 24 -10.175 6.468 -6.255 190 2HB ALA 24 HB1 ALA 24 -8.781 7.328 -6.901 191 3HB ALA 24 HB3 ALA 24 -9.489 5.994 -7.806 192 H THR 25 HN THR 25 -9.419 6.415 -4.075 193 HA THR 25 HA THR 25 -7.292 8.074 -3.149 194 HB THR 25 HB THR 25 -9.671 8.386 -2.415 195 HG1 THR 25 HG1 THR 25 -8.857 8.239 -0.030 196 1HG2 THR 25 HG22 THR 25 -9.515 5.646 -1.781 197 2HG2 THR 25 HG21 THR 25 -9.458 6.467 -0.226 198 3HG2 THR 25 HG23 THR 25 -10.813 6.739 -1.316 199 H ALA 26 HN ALA 26 -7.980 4.690 -2.697 200 HA ALA 26 HA ALA 26 -6.275 4.298 -0.400 201 1HB ALA 26 HB3 ALA 26 -8.044 2.688 -1.194 202 2HB ALA 26 HB2 ALA 26 -6.973 2.263 -2.526 203 3HB ALA 26 HB1 ALA 26 -6.485 1.938 -0.865 204 H GLU 27 HN GLU 27 -5.739 4.357 -3.859 205 HA GLU 27 HA GLU 27 -3.097 3.231 -3.831 206 1HB GLU 27 HB2 GLU 27 -4.590 4.988 -5.779 207 2HB GLU 27 HB1 GLU 27 -2.933 4.484 -6.072 208 1HG GLU 27 HG2 GLU 27 -3.688 2.087 -5.768 209 2HG GLU 27 HG1 GLU 27 -5.343 2.682 -5.700 210 H LYS 28 HN LYS 28 -4.228 6.611 -3.973 211 HA LYS 28 HA LYS 28 -1.516 7.642 -3.732 212 1HB LYS 28 HB2 LYS 28 -2.591 9.847 -3.592 213 2HB LYS 28 HB1 LYS 28 -3.262 8.908 -4.919 214 1HG LYS 28 HG2 LYS 28 -5.312 9.190 -4.021 215 2HG LYS 28 HG1 LYS 28 -4.796 8.244 -2.631 216 1HD LYS 28 HD2 LYS 28 -3.923 10.274 -1.546 217 2HD LYS 28 HD1 LYS 28 -4.367 11.234 -2.954 218 1HE LYS 28 HE2 LYS 28 -6.450 9.572 -1.557 219 2HE LYS 28 HE1 LYS 28 -6.003 11.141 -0.904 220 1HZ LYS 28 HZ1 LYS 28 -6.584 10.988 -3.758 221 2HZ LYS 28 HZ3 LYS 28 -7.895 10.859 -2.687 222 3HZ LYS 28 HZ2 LYS 28 -6.900 12.234 -2.649 223 H VAL 29 HN VAL 29 -4.022 6.758 -1.497 224 HA VAL 29 HA VAL 29 -3.096 8.326 0.736 225 HB VAL 29 HB VAL 29 -4.782 5.854 0.467 226 1HG1 VAL 29 HG11 VAL 29 -3.534 7.019 2.949 227 2HG1 VAL 29 HG13 VAL 29 -5.118 6.255 3.035 228 3HG1 VAL 29 HG12 VAL 29 -3.720 5.327 2.500 229 1HG2 VAL 29 HG22 VAL 29 -5.387 8.478 0.223 230 2HG2 VAL 29 HG21 VAL 29 -6.530 7.302 0.865 231 3HG2 VAL 29 HG23 VAL 29 -5.583 8.301 1.963 232 H PHE 30 HN PHE 30 -2.752 4.817 0.176 233 HA PHE 30 HA PHE 30 -0.804 4.359 2.165 234 1HB PHE 30 HB2 PHE 30 -1.499 3.005 -0.418 235 2HB PHE 30 HB1 PHE 30 -0.029 2.520 0.413 236 HD1 PHE 30 HD1 PHE 30 -0.447 2.291 3.132 237 HD2 PHE 30 HD2 PHE 30 -3.386 1.726 0.095 238 HE1 PHE 30 HE1 PHE 30 -1.788 0.923 4.672 239 HE2 PHE 30 HE2 PHE 30 -4.700 0.349 1.638 240 HZ PHE 30 HZ PHE 30 -3.899 -0.080 3.916 241 H LYS 31 HN LYS 31 -0.465 5.536 -1.125 242 HA LYS 31 HA LYS 31 2.371 5.405 -1.322 243 1HB LYS 31 HB2 LYS 31 0.880 5.885 -3.239 244 2HB LYS 31 HB1 LYS 31 0.493 7.451 -2.533 245 1HG LYS 31 HG2 LYS 31 2.781 8.196 -2.741 246 2HG LYS 31 HG1 LYS 31 3.323 6.582 -3.189 247 1HD LYS 31 HD2 LYS 31 2.286 6.692 -5.311 248 2HD LYS 31 HD1 LYS 31 1.226 8.009 -4.824 249 1HE LYS 31 HE2 LYS 31 3.051 8.833 -6.277 250 2HE LYS 31 HE1 LYS 31 3.168 9.525 -4.665 251 1HZ LYS 31 HZ1 LYS 31 4.599 7.033 -5.170 252 2HZ LYS 31 HZ3 LYS 31 5.223 8.450 -5.868 253 3HZ LYS 31 HZ2 LYS 31 5.022 8.350 -4.184 254 H GLN 32 HN GLN 32 0.226 7.839 0.048 255 HA GLN 32 HA GLN 32 2.203 9.828 0.568 256 1HB GLN 32 HB2 GLN 32 -0.259 10.193 0.763 257 2HB GLN 32 HB1 GLN 32 -0.264 9.194 2.212 258 1HG GLN 32 HG2 GLN 32 1.311 10.751 3.306 259 2HG GLN 32 HG1 GLN 32 1.356 11.740 1.849 260 1HE2 GLN 32 HE22 GLN 32 -1.159 13.427 3.884 261 2HE2 GLN 32 HE21 GLN 32 0.529 13.286 3.770 262 OH TYR 33 OH TYR 33 4.623 3.155 8.724 263 H TYR 33 HN TYR 33 1.376 6.853 2.152 264 HA TYR 33 HA TYR 33 2.889 7.429 4.581 265 1HB TYR 33 HB2 TYR 33 0.973 5.857 4.595 266 2HB TYR 33 HB1 TYR 33 1.857 4.791 3.507 267 HD1 TYR 33 HD1 TYR 33 3.923 3.654 4.281 268 HD2 TYR 33 HD2 TYR 33 1.571 5.988 6.946 269 HE1 TYR 33 HE1 TYR 33 5.073 2.634 6.186 270 HE2 TYR 33 HE2 TYR 33 2.722 4.966 8.855 271 HH TYR 33 HH TYR 33 4.531 2.202 8.651 272 H ALA 34 HN ALA 34 3.317 4.947 2.075 273 HA ALA 34 HA ALA 34 5.889 4.099 2.669 274 1HB ALA 34 HB1 ALA 34 4.149 3.845 0.495 275 2HB ALA 34 HB3 ALA 34 5.627 4.506 -0.196 276 3HB ALA 34 HB2 ALA 34 5.678 2.999 0.713 277 H ASN 35 HN ASN 35 4.931 7.098 1.137 278 HA ASN 35 HA ASN 35 7.485 7.918 0.173 279 1HB ASN 35 HB2 ASN 35 5.186 8.990 -0.254 280 2HB ASN 35 HB1 ASN 35 5.421 9.817 1.284 281 1HD2 ASN 35 HD22 ASN 35 8.695 10.949 -0.543 282 2HD2 ASN 35 HD21 ASN 35 8.497 9.575 0.433 283 H ASP 36 HN ASP 36 5.934 8.326 3.322 284 HA ASP 36 HA ASP 36 7.957 9.995 4.472 285 1HB ASP 36 HB2 ASP 36 5.847 8.175 5.594 286 2HB ASP 36 HB1 ASP 36 7.038 8.906 6.667 287 H ASN 37 HN ASN 37 8.079 6.804 3.460 288 HA ASN 37 HA ASN 37 10.308 6.146 5.346 289 1HB ASN 37 HB2 ASN 37 8.684 4.305 3.570 290 2HB ASN 37 HB1 ASN 37 9.922 3.804 4.719 291 1HD2 ASN 37 HD22 ASN 37 6.189 4.730 6.030 292 2HD2 ASN 37 HD21 ASN 37 6.606 4.873 4.391 293 H GLY 38 HN GLY 38 9.389 6.412 1.977 294 1HA GLY 38 HA2 GLY 38 11.086 7.182 0.356 295 2HA GLY 38 HA1 GLY 38 12.285 6.247 1.242 296 H VAL 39 HN VAL 39 9.286 4.688 0.925 297 HA VAL 39 HA VAL 39 10.469 2.838 -1.079 298 HB VAL 39 HB VAL 39 7.964 2.497 0.592 299 1HG1 VAL 39 HG12 VAL 39 8.101 1.086 -1.449 300 2HG1 VAL 39 HG11 VAL 39 9.691 0.522 -0.945 301 3HG1 VAL 39 HG13 VAL 39 8.269 0.113 0.009 302 1HG2 VAL 39 HG22 VAL 39 10.005 2.746 1.991 303 2HG2 VAL 39 HG21 VAL 39 9.386 1.099 2.048 304 3HG2 VAL 39 HG23 VAL 39 10.791 1.477 1.056 305 H ASP 40 HN ASP 40 10.079 3.715 -3.075 306 HA ASP 40 HA ASP 40 7.230 3.874 -3.884 307 1HB ASP 40 HB2 ASP 40 9.187 6.084 -4.539 308 2HB ASP 40 HB1 ASP 40 7.459 6.054 -4.880 309 H GLY 41 HN GLY 41 6.979 2.766 -5.723 310 1HA GLY 41 HA2 GLY 41 8.649 3.042 -8.021 311 2HA GLY 41 HA1 GLY 41 9.131 1.586 -7.154 312 H GLU 42 HN GLU 42 7.752 -0.184 -7.113 313 HA GLU 42 HA GLU 42 5.586 -0.099 -9.154 314 1HB GLU 42 HB2 GLU 42 6.943 -2.429 -7.796 315 2HB GLU 42 HB1 GLU 42 5.731 -2.566 -9.062 316 1HG GLU 42 HG2 GLU 42 7.839 -2.733 -10.186 317 2HG GLU 42 HG1 GLU 42 7.281 -1.090 -10.490 318 CH2 TRP 43 CH2 TRP 43 1.988 2.824 -1.817 319 H TRP 43 HN TRP 43 3.504 -0.253 -8.590 320 HA TRP 43 HA TRP 43 2.872 -0.944 -5.741 321 1HB TRP 43 HB2 TRP 43 1.797 1.164 -7.584 322 2HB TRP 43 HB1 TRP 43 0.819 0.574 -6.252 323 HD1 TRP 43 HD1 TRP 43 4.375 1.957 -6.880 324 HE1 TRP 43 HE1 TRP 43 4.987 3.298 -4.810 325 HE3 TRP 43 HE3 TRP 43 0.385 0.943 -4.090 326 HZ2 TRP 43 HZ2 TRP 43 3.867 3.790 -2.110 327 HZ3 TRP 43 HZ3 TRP 43 0.141 1.755 -1.799 328 HH2 TRP 43 HH2 TRP 43 1.878 3.177 -0.802 329 H THR 44 HN THR 44 1.347 -2.443 -5.378 330 HA THR 44 HA THR 44 -0.173 -3.489 -7.742 331 HB THR 44 HB THR 44 -0.017 -5.743 -6.406 332 HG1 THR 44 HG1 THR 44 2.085 -5.523 -5.207 333 1HG2 THR 44 HG21 THR 44 1.334 -5.182 -8.511 334 2HG2 THR 44 HG23 THR 44 2.586 -4.563 -7.440 335 3HG2 THR 44 HG22 THR 44 2.145 -6.267 -7.387 336 OH TYR 45 OH TYR 45 -8.887 -1.525 -3.101 337 H TYR 45 HN TYR 45 -2.102 -4.798 -7.063 338 HA TYR 45 HA TYR 45 -3.376 -3.847 -4.546 339 1HB TYR 45 HB2 TYR 45 -3.912 -2.359 -6.600 340 2HB TYR 45 HB1 TYR 45 -4.838 -3.738 -7.198 341 HD1 TYR 45 HD1 TYR 45 -6.378 -4.775 -4.963 342 HD2 TYR 45 HD2 TYR 45 -5.301 -0.737 -5.730 343 HE1 TYR 45 HE1 TYR 45 -8.219 -4.018 -3.560 344 HE2 TYR 45 HE2 TYR 45 -7.192 0.016 -4.375 345 HH TYR 45 HH TYR 45 -9.697 -1.826 -3.517 346 H ASP 46 HN ASP 46 -4.344 -5.522 -3.556 347 HA ASP 46 HA ASP 46 -4.951 -7.970 -5.173 348 1HB ASP 46 HB2 ASP 46 -3.235 -8.038 -3.242 349 2HB ASP 46 HB1 ASP 46 -4.631 -7.908 -2.178 350 H ASP 47 HN ASP 47 -7.013 -6.828 -5.709 351 HA ASP 47 HA ASP 47 -8.958 -6.253 -3.670 352 1HB ASP 47 HB2 ASP 47 -9.069 -5.384 -6.011 353 2HB ASP 47 HB1 ASP 47 -9.461 -7.012 -6.561 354 H ALA 48 HN ALA 48 -7.667 -9.152 -4.670 355 HA ALA 48 HA ALA 48 -10.033 -10.821 -4.543 356 1HB ALA 48 HB3 ALA 48 -7.765 -11.376 -5.630 357 2HB ALA 48 HB2 ALA 48 -7.217 -11.757 -4.001 358 3HB ALA 48 HB1 ALA 48 -8.548 -12.661 -4.716 359 H THR 49 HN THR 49 -7.965 -9.378 -2.208 360 HA THR 49 HA THR 49 -9.547 -10.670 -0.058 361 HB THR 49 HB THR 49 -7.538 -11.344 1.204 362 HG1 THR 49 HG1 THR 49 -6.464 -9.794 -0.868 363 1HG2 THR 49 HG23 THR 49 -8.330 -12.852 -0.763 364 2HG2 THR 49 HG22 THR 49 -6.997 -12.146 -1.670 365 3HG2 THR 49 HG21 THR 49 -6.675 -13.079 -0.212 366 H LYS 50 HN LYS 50 -8.786 -7.930 -1.391 367 HA LYS 50 HA LYS 50 -8.621 -5.714 -0.645 368 1HB LYS 50 HB2 LYS 50 -9.438 -6.763 2.066 369 2HB LYS 50 HB1 LYS 50 -9.754 -5.174 1.377 370 1HG LYS 50 HG2 LYS 50 -11.168 -6.245 -0.378 371 2HG LYS 50 HG1 LYS 50 -10.896 -7.808 0.383 372 1HD LYS 50 HD2 LYS 50 -11.775 -6.644 2.549 373 2HD LYS 50 HD1 LYS 50 -12.428 -5.438 1.447 374 1HE LYS 50 HE2 LYS 50 -12.969 -8.423 1.304 375 2HE LYS 50 HE1 LYS 50 -14.090 -7.216 1.919 376 1HZ LYS 50 HZ1 LYS 50 -13.524 -6.188 -0.460 377 2HZ LYS 50 HZ3 LYS 50 -13.355 -7.840 -0.813 378 3HZ LYS 50 HZ2 LYS 50 -14.818 -7.252 -0.184 379 H THR 51 HN THR 51 -6.253 -6.474 -0.899 380 HA THR 51 HA THR 51 -4.822 -5.624 1.568 381 HB THR 51 HB THR 51 -4.448 -8.274 0.127 382 HG1 THR 51 HG1 THR 51 -4.590 -7.353 2.818 383 1HG2 THR 51 HG23 THR 51 -2.517 -6.904 2.041 384 2HG2 THR 51 HG22 THR 51 -2.405 -8.573 1.504 385 3HG2 THR 51 HG21 THR 51 -2.166 -7.264 0.355 386 H PHE 52 HN PHE 52 -3.615 -3.906 0.894 387 HA PHE 52 HA PHE 52 -2.899 -3.611 -1.924 388 1HB PHE 52 HB2 PHE 52 -2.998 -1.926 0.425 389 2HB PHE 52 HB1 PHE 52 -1.486 -1.715 -0.445 390 HD1 PHE 52 HD1 PHE 52 -1.503 -0.959 -2.830 391 HD2 PHE 52 HD2 PHE 52 -5.101 -1.339 -0.617 392 HE1 PHE 52 HE1 PHE 52 -2.713 0.339 -4.540 393 HE2 PHE 52 HE2 PHE 52 -6.267 0.053 -2.239 394 HZ PHE 52 HZ PHE 52 -5.062 0.936 -4.180 395 H THR 53 HN THR 53 -0.591 -3.177 -2.534 396 HA THR 53 HA THR 53 1.476 -4.206 -0.741 397 HB THR 53 HB THR 53 0.709 -5.779 -3.229 398 HG1 THR 53 HG1 THR 53 0.415 -7.339 -1.518 399 1HG2 THR 53 HG23 THR 53 3.114 -5.779 -1.419 400 2HG2 THR 53 HG22 THR 53 2.487 -7.328 -1.971 401 3HG2 THR 53 HG21 THR 53 3.036 -6.134 -3.142 402 H VAL 54 HN VAL 54 3.497 -3.509 -1.330 403 HA VAL 54 HA VAL 54 3.841 -2.322 -4.035 404 HB VAL 54 HB VAL 54 3.058 -0.522 -2.446 405 1HG1 VAL 54 HG12 VAL 54 4.249 -1.591 -0.478 406 2HG1 VAL 54 HG11 VAL 54 5.748 -0.932 -1.122 407 3HG1 VAL 54 HG13 VAL 54 4.452 0.149 -0.619 408 1HG2 VAL 54 HG23 VAL 54 5.870 -0.350 -3.563 409 2HG2 VAL 54 HG22 VAL 54 4.384 0.182 -4.332 410 3HG2 VAL 54 HG21 VAL 54 5.002 1.034 -2.926 411 H THR 55 HN THR 55 6.069 -2.134 -4.632 412 HA THR 55 HA THR 55 8.046 -3.308 -2.741 413 HB THR 55 HB THR 55 7.573 -4.419 -5.541 414 HG1 THR 55 HG1 THR 55 6.043 -5.056 -3.996 415 1HG2 THR 55 HG22 THR 55 9.753 -4.673 -3.539 416 2HG2 THR 55 HG21 THR 55 9.089 -6.204 -4.102 417 3HG2 THR 55 HG23 THR 55 9.770 -5.064 -5.254 418 H GLU 56 HN GLU 56 9.843 -2.117 -2.773 419 HA GLU 56 HA GLU 56 10.223 0.035 -4.646 420 1HB GLU 56 HB2 GLU 56 11.289 -0.673 -2.184 421 2HB GLU 56 HB1 GLU 56 12.655 -0.840 -3.277 422 1HG GLU 56 HG2 GLU 56 10.871 1.612 -3.043 423 2HG GLU 56 HG1 GLU 56 12.505 1.471 -2.401 Start of MODEL 18 Raw file had 423 H/Q atoms Entry Start of MODEL 18 1 1H MET 1 HT2 MET 1 -14.035 1.296 5.109 2 2H MET 1 HT1 MET 1 -15.402 0.724 4.280 3 3H MET 1 HT3 MET 1 -14.786 -0.146 5.602 4 HA MET 1 HA MET 1 -13.779 -1.382 4.057 5 1HB MET 1 HB2 MET 1 -14.380 0.972 2.314 6 2HB MET 1 HB1 MET 1 -13.134 -0.154 1.785 7 1HG MET 1 HG2 MET 1 -14.614 -1.951 1.679 8 2HG MET 1 HG1 MET 1 -15.744 -1.220 2.787 9 1HE MET 1 HE3 MET 1 -17.136 -2.566 1.310 10 2HE MET 1 HE2 MET 1 -17.970 -1.920 -0.104 11 3HE MET 1 HE1 MET 1 -16.424 -2.746 -0.293 12 H THR 2 HN THR 2 -11.762 -1.819 4.620 13 HA THR 2 HA THR 2 -9.685 0.305 4.325 14 HB THR 2 HB THR 2 -9.928 -1.508 6.763 15 HG1 THR 2 HG1 THR 2 -11.453 0.352 6.246 16 1HG2 THR 2 HG21 THR 2 -7.675 -0.229 5.790 17 2HG2 THR 2 HG23 THR 2 -8.386 1.016 6.813 18 3HG2 THR 2 HG22 THR 2 -7.966 -0.552 7.496 19 OH TYR 3 OH TYR 3 -11.538 0.291 -1.042 20 H TYR 3 HN TYR 3 -7.961 -0.413 3.234 21 HA TYR 3 HA TYR 3 -7.727 -3.348 2.777 22 1HB TYR 3 HB2 TYR 3 -6.106 -1.259 1.347 23 2HB TYR 3 HB1 TYR 3 -6.592 -2.851 0.781 24 HD1 TYR 3 HD1 TYR 3 -7.861 0.546 1.586 25 HD2 TYR 3 HD2 TYR 3 -8.705 -3.162 -0.311 26 HE1 TYR 3 HE1 TYR 3 -9.857 1.528 0.557 27 HE2 TYR 3 HE2 TYR 3 -10.701 -2.183 -1.342 28 HH TYR 3 HH TYR 3 -12.091 -0.427 -1.357 29 H LYS 4 HN LYS 4 -5.592 -4.323 2.834 30 HA LYS 4 HA LYS 4 -3.887 -3.087 4.959 31 1HB LYS 4 HB2 LYS 4 -5.035 -5.505 5.032 32 2HB LYS 4 HB1 LYS 4 -3.589 -5.944 4.138 33 1HG LYS 4 HG2 LYS 4 -2.416 -4.489 6.068 34 2HG LYS 4 HG1 LYS 4 -3.849 -4.996 6.955 35 1HD LYS 4 HD2 LYS 4 -3.275 -7.372 5.986 36 2HD LYS 4 HD1 LYS 4 -1.668 -6.689 5.764 37 1HE LYS 4 HE2 LYS 4 -3.222 -6.846 8.366 38 2HE LYS 4 HE1 LYS 4 -1.773 -7.755 7.957 39 1HZ LYS 4 HZ2 LYS 4 -0.724 -5.463 7.635 40 2HZ LYS 4 HZ1 LYS 4 -2.046 -4.878 8.528 41 3HZ LYS 4 HZ3 LYS 4 -0.987 -6.011 9.221 42 H LEU 5 HN LEU 5 -1.991 -2.266 4.285 43 HA LEU 5 HA LEU 5 -1.023 -2.928 1.592 44 1HB LEU 5 HB2 LEU 5 -0.810 -0.620 1.990 45 2HB LEU 5 HB1 LEU 5 -0.359 -0.854 3.668 46 HG LEU 5 HG LEU 5 1.901 -1.657 2.962 47 1HD1 LEU 5 HD11 LEU 5 0.630 -1.910 0.407 48 2HD1 LEU 5 HD13 LEU 5 1.888 -0.705 0.248 49 3HD1 LEU 5 HD12 LEU 5 2.283 -2.315 0.822 50 1HD2 LEU 5 HD23 LEU 5 1.440 0.755 3.393 51 2HD2 LEU 5 HD22 LEU 5 2.742 0.502 2.237 52 3HD2 LEU 5 HD21 LEU 5 1.145 0.972 1.673 53 H ILE 6 HN ILE 6 1.053 -3.742 1.157 54 HA ILE 6 HA ILE 6 2.519 -4.961 3.409 55 HB ILE 6 HB ILE 6 1.581 -6.309 0.882 56 1HG1 ILE 6 HG12 ILE 6 1.501 -7.131 3.811 57 2HG1 ILE 6 HG11 ILE 6 0.169 -6.347 2.976 58 1HG2 ILE 6 HG22 ILE 6 3.894 -6.997 2.710 59 2HG2 ILE 6 HG21 ILE 6 3.073 -8.236 1.769 60 3HG2 ILE 6 HG23 ILE 6 3.886 -6.911 0.951 61 1HD1 ILE 6 HD1 ILE 6 0.647 -8.391 1.247 62 2HD1 ILE 6 HD3 ILE 6 1.156 -9.146 2.752 63 3HD1 ILE 6 HD2 ILE 6 -0.480 -8.520 2.592 64 H LEU 7 HN LEU 7 4.288 -3.668 3.342 65 HA LEU 7 HA LEU 7 5.435 -2.770 0.815 66 1HB LEU 7 HB2 LEU 7 6.229 -2.460 3.698 67 2HB LEU 7 HB1 LEU 7 7.263 -1.893 2.393 68 HG LEU 7 HG LEU 7 4.427 -1.113 2.125 69 1HD1 LEU 7 HD13 LEU 7 6.140 -0.195 4.449 70 2HD1 LEU 7 HD12 LEU 7 4.796 0.761 3.834 71 3HD1 LEU 7 HD11 LEU 7 4.502 -0.840 4.508 72 1HD2 LEU 7 HD23 LEU 7 6.502 -0.361 0.778 73 2HD2 LEU 7 HD22 LEU 7 5.404 0.904 1.320 74 3HD2 LEU 7 HD21 LEU 7 6.908 0.616 2.186 75 H ASN 8 HN ASN 8 6.787 -3.869 -0.402 76 HA ASN 8 HA ASN 8 8.366 -6.078 0.847 77 1HB ASN 8 HB2 ASN 8 6.799 -5.838 -1.587 78 2HB ASN 8 HB1 ASN 8 8.434 -6.341 -1.955 79 1HD2 ASN 8 HD22 ASN 8 6.000 -9.117 -0.794 80 2HD2 ASN 8 HD21 ASN 8 5.635 -7.724 -1.684 81 H GLY 9 HN GLY 9 9.234 -3.423 1.085 82 1HA GLY 9 HA2 GLY 9 10.924 -2.361 -0.848 83 2HA GLY 9 HA1 GLY 9 11.289 -2.270 0.867 84 H LYS 10 HN LYS 10 13.135 -2.597 -1.353 85 HA LYS 10 HA LYS 10 14.037 -5.251 -1.726 86 1HB LYS 10 HB2 LYS 10 15.121 -2.560 -2.083 87 2HB LYS 10 HB1 LYS 10 16.364 -3.724 -1.643 88 1HG LYS 10 HG2 LYS 10 14.335 -4.284 -3.825 89 2HG LYS 10 HG1 LYS 10 15.867 -3.487 -4.154 90 1HD LYS 10 HD2 LYS 10 17.046 -5.418 -3.940 91 2HD LYS 10 HD1 LYS 10 16.156 -5.899 -2.500 92 1HE LYS 10 HE2 LYS 10 14.351 -6.794 -3.802 93 2HE LYS 10 HE1 LYS 10 14.952 -6.042 -5.275 94 1HZ LYS 10 HZ2 LYS 10 17.043 -7.475 -4.744 95 2HZ LYS 10 HZ1 LYS 10 15.934 -8.414 -3.864 96 3HZ LYS 10 HZ3 LYS 10 15.702 -8.161 -5.528 97 H THR 11 HN THR 11 15.373 -2.860 0.540 98 HA THR 11 HA THR 11 16.313 -5.124 2.241 99 HB THR 11 HB THR 11 17.639 -3.031 3.285 100 HG1 THR 11 HG1 THR 11 16.549 -1.551 1.968 101 1HG2 THR 11 HG21 THR 11 18.218 -4.411 0.641 102 2HG2 THR 11 HG23 THR 11 19.362 -3.311 1.404 103 3HG2 THR 11 HG22 THR 11 18.905 -4.806 2.213 104 H LEU 12 HN LEU 12 13.596 -3.627 2.057 105 HA LEU 12 HA LEU 12 13.268 -3.462 5.002 106 1HB LEU 12 HB2 LEU 12 13.816 -1.150 4.033 107 2HB LEU 12 HB1 LEU 12 12.238 -1.227 3.259 108 HG LEU 12 HG LEU 12 11.562 -1.966 5.788 109 1HD1 LEU 12 HD12 LEU 12 13.900 -1.635 6.577 110 2HD1 LEU 12 HD11 LEU 12 13.823 0.046 6.057 111 3HD1 LEU 12 HD13 LEU 12 12.787 -0.521 7.362 112 1HD2 LEU 12 HD23 LEU 12 11.775 0.743 4.470 113 2HD2 LEU 12 HD22 LEU 12 10.338 -0.243 4.724 114 3HD2 LEU 12 HD21 LEU 12 11.091 0.582 6.085 115 H LYS 13 HN LYS 13 11.228 -3.989 5.698 116 HA LYS 13 HA LYS 13 9.094 -4.348 3.650 117 1HB LYS 13 HB2 LYS 13 9.975 -6.465 5.635 118 2HB LYS 13 HB1 LYS 13 8.544 -6.580 4.626 119 1HG LYS 13 HG2 LYS 13 9.969 -7.649 3.190 120 2HG LYS 13 HG1 LYS 13 10.424 -6.014 2.734 121 1HD LYS 13 HD2 LYS 13 12.210 -6.080 4.506 122 2HD LYS 13 HD1 LYS 13 11.802 -7.764 4.794 123 1HE LYS 13 HE2 LYS 13 13.197 -6.522 2.470 124 2HE LYS 13 HE1 LYS 13 13.462 -8.086 3.227 125 1HZ LYS 13 HZ3 LYS 13 11.047 -7.483 1.632 126 2HZ LYS 13 HZ2 LYS 13 12.465 -8.114 0.943 127 3HZ LYS 13 HZ1 LYS 13 11.626 -9.003 2.123 128 H GLY 14 HN GLY 14 7.063 -3.911 4.403 129 1HA GLY 14 HA2 GLY 14 6.585 -3.722 7.309 130 2HA GLY 14 HA1 GLY 14 6.483 -2.205 6.422 131 H GLU 15 HN GLU 15 4.226 -2.485 7.422 132 HA GLU 15 HA GLU 15 2.365 -3.113 5.340 133 1HB GLU 15 HB2 GLU 15 1.323 -5.095 6.157 134 2HB GLU 15 HB1 GLU 15 3.047 -5.438 6.187 135 1HG GLU 15 HG2 GLU 15 2.960 -4.520 8.628 136 2HG GLU 15 HG1 GLU 15 1.223 -4.784 8.498 137 H THR 16 HN THR 16 0.568 -1.940 5.709 138 HA THR 16 HA THR 16 -0.361 -1.459 8.465 139 HB THR 16 HB THR 16 1.248 0.385 8.255 140 HG1 THR 16 HG1 THR 16 -0.696 0.940 9.193 141 1HG2 THR 16 HG21 THR 16 0.367 0.367 5.508 142 2HG2 THR 16 HG23 THR 16 -0.003 1.936 6.208 143 3HG2 THR 16 HG22 THR 16 1.651 1.333 6.222 144 H THR 17 HN THR 17 -2.494 -0.517 8.531 145 HA THR 17 HA THR 17 -3.980 -0.975 5.975 146 HB THR 17 HB THR 17 -5.841 -1.689 7.279 147 HG1 THR 17 HG1 THR 17 -5.247 -1.090 9.728 148 1HG2 THR 17 HG23 THR 17 -3.415 -2.894 7.848 149 2HG2 THR 17 HG22 THR 17 -3.946 -2.384 9.446 150 3HG2 THR 17 HG21 THR 17 -4.960 -3.450 8.479 151 H THR 18 HN THR 18 -5.163 0.614 5.079 152 HA THR 18 HA THR 18 -5.510 3.157 6.624 153 HB THR 18 HB THR 18 -3.708 3.143 4.699 154 HG1 THR 18 HG1 THR 18 -4.243 5.094 5.426 155 1HG2 THR 18 HG23 THR 18 -5.620 2.139 3.116 156 2HG2 THR 18 HG22 THR 18 -6.117 3.826 3.033 157 3HG2 THR 18 HG21 THR 18 -4.506 3.355 2.498 158 H GLU 19 HN GLU 19 -7.437 4.268 6.285 159 HA GLU 19 HA GLU 19 -9.592 2.633 5.071 160 1HB GLU 19 HB2 GLU 19 -10.028 3.461 7.310 161 2HB GLU 19 HB1 GLU 19 -9.664 5.109 6.812 162 1HG GLU 19 HG2 GLU 19 -11.652 5.334 5.621 163 2HG GLU 19 HG1 GLU 19 -11.783 3.605 5.312 164 H ALA 20 HN ALA 20 -10.397 3.085 3.123 165 HA ALA 20 HA ALA 20 -10.228 5.876 2.096 166 1HB ALA 20 HB1 ALA 20 -8.733 3.583 1.115 167 2HB ALA 20 HB3 ALA 20 -9.752 4.274 -0.142 168 3HB ALA 20 HB2 ALA 20 -8.570 5.282 0.686 169 H VAL 21 HN VAL 21 -11.644 6.218 0.206 170 HA VAL 21 HA VAL 21 -14.145 4.672 0.548 171 HB VAL 21 HB VAL 21 -14.123 7.197 0.521 172 1HG1 VAL 21 HG12 VAL 21 -12.391 7.213 -1.389 173 2HG1 VAL 21 HG11 VAL 21 -13.743 6.873 -2.464 174 3HG1 VAL 21 HG13 VAL 21 -13.720 8.359 -1.522 175 1HG2 VAL 21 HG22 VAL 21 -16.160 5.843 0.009 176 2HG2 VAL 21 HG21 VAL 21 -16.132 7.360 -0.884 177 3HG2 VAL 21 HG23 VAL 21 -15.712 5.854 -1.694 178 H ASP 22 HN ASP 22 -11.605 5.200 -1.772 179 HA ASP 22 HA ASP 22 -12.781 3.060 -3.458 180 1HB ASP 22 HB2 ASP 22 -12.434 4.352 -5.515 181 2HB ASP 22 HB1 ASP 22 -13.527 5.216 -4.437 182 H ALA 23 HN ALA 23 -11.165 2.401 -5.195 183 HA ALA 23 HA ALA 23 -8.666 1.758 -3.915 184 1HB ALA 23 HB2 ALA 23 -9.846 1.335 -6.633 185 2HB ALA 23 HB1 ALA 23 -8.122 1.061 -6.407 186 3HB ALA 23 HB3 ALA 23 -9.291 0.144 -5.461 187 H ALA 24 HN ALA 24 -9.708 4.378 -5.903 188 HA ALA 24 HA ALA 24 -7.163 5.169 -6.962 189 1HB ALA 24 HB1 ALA 24 -9.729 6.032 -7.304 190 2HB ALA 24 HB3 ALA 24 -9.067 7.333 -6.317 191 3HB ALA 24 HB2 ALA 24 -8.312 6.923 -7.853 192 H THR 25 HN THR 25 -8.987 6.620 -4.254 193 HA THR 25 HA THR 25 -6.848 8.235 -3.322 194 HB THR 25 HB THR 25 -9.052 8.704 -2.440 195 HG1 THR 25 HG1 THR 25 -7.762 9.128 -0.786 196 1HG2 THR 25 HG21 THR 25 -8.974 5.775 -1.765 197 2HG2 THR 25 HG23 THR 25 -9.848 6.854 -0.685 198 3HG2 THR 25 HG22 THR 25 -10.320 6.728 -2.374 199 H ALA 26 HN ALA 26 -7.487 4.838 -2.899 200 HA ALA 26 HA ALA 26 -5.777 4.438 -0.613 201 1HB ALA 26 HB3 ALA 26 -7.500 2.799 -1.468 202 2HB ALA 26 HB2 ALA 26 -6.395 2.427 -2.787 203 3HB ALA 26 HB1 ALA 26 -5.927 2.087 -1.122 204 H GLU 27 HN GLU 27 -5.241 4.399 -4.097 205 HA GLU 27 HA GLU 27 -2.568 3.417 -4.084 206 1HB GLU 27 HB2 GLU 27 -4.231 5.043 -5.950 207 2HB GLU 27 HB1 GLU 27 -2.493 5.021 -6.218 208 1HG GLU 27 HG2 GLU 27 -2.463 2.641 -6.465 209 2HG GLU 27 HG1 GLU 27 -4.094 2.485 -5.823 210 H LYS 28 HN LYS 28 -3.816 6.730 -3.894 211 HA LYS 28 HA LYS 28 -1.142 7.879 -3.688 212 1HB LYS 28 HB2 LYS 28 -3.604 9.366 -2.856 213 2HB LYS 28 HB1 LYS 28 -2.193 9.951 -3.730 214 1HG LYS 28 HG2 LYS 28 -2.897 8.461 -5.663 215 2HG LYS 28 HG1 LYS 28 -4.399 8.164 -4.796 216 1HD LYS 28 HD2 LYS 28 -4.922 10.553 -4.800 217 2HD LYS 28 HD1 LYS 28 -3.372 10.919 -5.548 218 1HE LYS 28 HE2 LYS 28 -5.562 9.214 -6.782 219 2HE LYS 28 HE1 LYS 28 -5.189 10.873 -7.233 220 1HZ LYS 28 HZ3 LYS 28 -2.792 9.634 -7.411 221 2HZ LYS 28 HZ2 LYS 28 -3.863 8.437 -7.961 222 3HZ LYS 28 HZ1 LYS 28 -3.832 9.958 -8.714 223 H VAL 29 HN VAL 29 -3.761 7.135 -1.439 224 HA VAL 29 HA VAL 29 -2.689 8.388 0.867 225 HB VAL 29 HB VAL 29 -4.374 5.896 0.569 226 1HG1 VAL 29 HG11 VAL 29 -3.407 7.379 3.022 227 2HG1 VAL 29 HG13 VAL 29 -4.891 6.432 3.046 228 3HG1 VAL 29 HG12 VAL 29 -3.352 5.649 2.705 229 1HG2 VAL 29 HG21 VAL 29 -5.026 8.479 0.052 230 2HG2 VAL 29 HG23 VAL 29 -6.181 7.314 0.692 231 3HG2 VAL 29 HG22 VAL 29 -5.359 8.429 1.779 232 H PHE 30 HN PHE 30 -2.438 4.942 -0.015 233 HA PHE 30 HA PHE 30 -0.497 4.323 1.973 234 1HB PHE 30 HB2 PHE 30 -1.358 3.030 -0.592 235 2HB PHE 30 HB1 PHE 30 0.096 2.445 0.202 236 HD1 PHE 30 HD1 PHE 30 -0.292 2.268 2.950 237 HD2 PHE 30 HD2 PHE 30 -3.295 1.839 -0.048 238 HE1 PHE 30 HE1 PHE 30 -1.682 0.986 4.514 239 HE2 PHE 30 HE2 PHE 30 -4.660 0.544 1.526 240 HZ PHE 30 HZ PHE 30 -3.851 0.094 3.796 241 H LYS 31 HN LYS 31 -0.134 5.359 -1.398 242 HA LYS 31 HA LYS 31 2.684 5.093 -1.579 243 1HB LYS 31 HB2 LYS 31 1.259 5.634 -3.515 244 2HB LYS 31 HB1 LYS 31 0.924 7.219 -2.824 245 1HG LYS 31 HG2 LYS 31 3.274 7.841 -2.971 246 2HG LYS 31 HG1 LYS 31 3.711 6.216 -3.486 247 1HD LYS 31 HD2 LYS 31 1.620 7.227 -5.197 248 2HD LYS 31 HD1 LYS 31 2.934 8.396 -5.131 249 1HE LYS 31 HE2 LYS 31 4.556 6.636 -5.704 250 2HE LYS 31 HE1 LYS 31 3.270 5.435 -5.715 251 1HZ LYS 31 HZ1 LYS 31 3.209 7.821 -7.458 252 2HZ LYS 31 HZ3 LYS 31 3.960 6.373 -7.929 253 3HZ LYS 31 HZ2 LYS 31 2.295 6.396 -7.591 254 H GLN 32 HN GLN 32 0.683 7.635 -0.208 255 HA GLN 32 HA GLN 32 2.741 9.541 0.284 256 1HB GLN 32 HB2 GLN 32 0.250 9.914 0.538 257 2HB GLN 32 HB1 GLN 32 0.336 9.017 2.051 258 1HG GLN 32 HG2 GLN 32 0.825 11.021 3.012 259 2HG GLN 32 HG1 GLN 32 2.423 10.831 2.295 260 1HE2 GLN 32 HE22 GLN 32 0.597 14.039 1.191 261 2HE2 GLN 32 HE21 GLN 32 0.672 13.309 2.723 262 OH TYR 33 OH TYR 33 5.090 2.707 8.346 263 H TYR 33 HN TYR 33 1.766 6.630 1.948 264 HA TYR 33 HA TYR 33 3.386 7.126 4.316 265 1HB TYR 33 HB2 TYR 33 1.419 5.633 4.393 266 2HB TYR 33 HB1 TYR 33 2.209 4.542 3.259 267 HD1 TYR 33 HD1 TYR 33 4.292 3.342 3.936 268 HD2 TYR 33 HD2 TYR 33 2.068 5.661 6.721 269 HE1 TYR 33 HE1 TYR 33 5.464 2.242 5.785 270 HE2 TYR 33 HE2 TYR 33 3.238 4.560 8.573 271 HH TYR 33 HH TYR 33 4.883 3.184 9.154 272 H ALA 34 HN ALA 34 3.662 4.655 1.777 273 HA ALA 34 HA ALA 34 6.204 3.691 2.326 274 1HB ALA 34 HB3 ALA 34 4.494 3.194 0.357 275 2HB ALA 34 HB2 ALA 34 5.562 4.272 -0.536 276 3HB ALA 34 HB1 ALA 34 6.201 2.800 0.189 277 H ASN 35 HN ASN 35 5.358 6.700 0.720 278 HA ASN 35 HA ASN 35 7.910 7.439 -0.253 279 1HB ASN 35 HB2 ASN 35 5.693 8.639 -0.627 280 2HB ASN 35 HB1 ASN 35 5.925 9.370 0.959 281 1HD2 ASN 35 HD22 ASN 35 7.437 11.801 -1.315 282 2HD2 ASN 35 HD21 ASN 35 5.894 11.293 -0.823 283 H ASP 36 HN ASP 36 6.492 7.815 2.954 284 HA ASP 36 HA ASP 36 8.694 9.330 4.046 285 1HB ASP 36 HB2 ASP 36 6.490 7.695 5.312 286 2HB ASP 36 HB1 ASP 36 7.692 8.563 6.264 287 H ASN 37 HN ASN 37 8.520 6.196 2.986 288 HA ASN 37 HA ASN 37 10.617 5.261 4.910 289 1HB ASN 37 HB2 ASN 37 8.517 3.813 3.317 290 2HB ASN 37 HB1 ASN 37 9.962 2.964 3.861 291 1HD2 ASN 37 HD22 ASN 37 7.544 4.540 6.802 292 2HD2 ASN 37 HD21 ASN 37 7.771 5.413 5.365 293 H GLY 38 HN GLY 38 10.020 6.218 1.708 294 1HA GLY 38 HA2 GLY 38 11.695 6.569 0.041 295 2HA GLY 38 HA1 GLY 38 12.799 5.566 0.977 296 H VAL 39 HN VAL 39 9.624 4.366 0.427 297 HA VAL 39 HA VAL 39 10.730 2.393 -1.534 298 HB VAL 39 HB VAL 39 8.439 2.162 0.431 299 1HG1 VAL 39 HG11 VAL 39 9.280 0.523 -1.921 300 2HG1 VAL 39 HG13 VAL 39 8.789 -0.345 -0.470 301 3HG1 VAL 39 HG12 VAL 39 7.672 0.770 -1.250 302 1HG2 VAL 39 HG22 VAL 39 10.781 2.003 1.334 303 2HG2 VAL 39 HG21 VAL 39 9.867 0.508 1.511 304 3HG2 VAL 39 HG23 VAL 39 11.070 0.660 0.233 305 H ASP 40 HN ASP 40 10.151 2.894 -3.556 306 HA ASP 40 HA ASP 40 7.325 3.205 -4.223 307 1HB ASP 40 HB2 ASP 40 9.180 5.542 -4.166 308 2HB ASP 40 HB1 ASP 40 8.032 5.442 -5.498 309 H GLY 41 HN GLY 41 7.046 2.161 -6.089 310 1HA GLY 41 HA2 GLY 41 8.617 2.574 -8.435 311 2HA GLY 41 HA1 GLY 41 9.180 1.107 -7.639 312 H GLU 42 HN GLU 42 7.617 -0.601 -7.274 313 HA GLU 42 HA GLU 42 5.509 -0.627 -9.393 314 1HB GLU 42 HB2 GLU 42 6.840 -2.905 -7.924 315 2HB GLU 42 HB1 GLU 42 5.645 -3.083 -9.200 316 1HG GLU 42 HG2 GLU 42 7.925 -1.331 -9.898 317 2HG GLU 42 HG1 GLU 42 8.355 -3.019 -9.636 318 CH2 TRP 43 CH2 TRP 43 2.195 2.529 -2.043 319 H TRP 43 HN TRP 43 3.432 -0.666 -8.799 320 HA TRP 43 HA TRP 43 2.800 -1.288 -5.936 321 1HB TRP 43 HB2 TRP 43 1.769 0.828 -7.797 322 2HB TRP 43 HB1 TRP 43 0.804 0.298 -6.429 323 HD1 TRP 43 HD1 TRP 43 4.382 1.563 -7.180 324 HE1 TRP 43 HE1 TRP 43 5.112 2.884 -5.135 325 HE3 TRP 43 HE3 TRP 43 0.450 0.708 -4.256 326 HZ2 TRP 43 HZ2 TRP 43 4.099 3.424 -2.401 327 HZ3 TRP 43 HZ3 TRP 43 0.311 1.531 -1.961 328 HH2 TRP 43 HH2 TRP 43 2.132 2.886 -1.026 329 H THR 44 HN THR 44 1.256 -2.745 -5.539 330 HA THR 44 HA THR 44 -0.334 -3.777 -7.860 331 HB THR 44 HB THR 44 -0.243 -6.007 -6.476 332 HG1 THR 44 HG1 THR 44 2.177 -5.040 -5.567 333 1HG2 THR 44 HG21 THR 44 2.068 -4.729 -7.948 334 2HG2 THR 44 HG23 THR 44 2.273 -6.307 -7.196 335 3HG2 THR 44 HG22 THR 44 1.067 -6.084 -8.460 336 OH TYR 45 OH TYR 45 -8.882 -1.362 -3.143 337 H TYR 45 HN TYR 45 -2.301 -5.012 -7.111 338 HA TYR 45 HA TYR 45 -3.494 -3.932 -4.604 339 1HB TYR 45 HB2 TYR 45 -4.019 -2.509 -6.706 340 2HB TYR 45 HB1 TYR 45 -5.006 -3.875 -7.228 341 HD1 TYR 45 HD1 TYR 45 -6.532 -4.770 -4.927 342 HD2 TYR 45 HD2 TYR 45 -5.325 -0.807 -5.864 343 HE1 TYR 45 HE1 TYR 45 -8.314 -3.893 -3.517 344 HE2 TYR 45 HE2 TYR 45 -7.152 0.067 -4.499 345 HH TYR 45 HH TYR 45 -8.839 -0.403 -3.170 346 H ASP 46 HN ASP 46 -4.503 -5.535 -3.535 347 HA ASP 46 HA ASP 46 -5.234 -8.015 -5.053 348 1HB ASP 46 HB2 ASP 46 -3.462 -8.084 -3.172 349 2HB ASP 46 HB1 ASP 46 -4.821 -7.869 -2.074 350 H ASP 47 HN ASP 47 -7.263 -6.793 -5.557 351 HA ASP 47 HA ASP 47 -9.120 -6.098 -3.475 352 1HB ASP 47 HB2 ASP 47 -9.450 -5.156 -5.661 353 2HB ASP 47 HB1 ASP 47 -9.508 -6.752 -6.404 354 H ALA 48 HN ALA 48 -7.935 -9.056 -4.306 355 HA ALA 48 HA ALA 48 -10.366 -10.642 -4.147 356 1HB ALA 48 HB1 ALA 48 -7.815 -11.156 -4.980 357 2HB ALA 48 HB3 ALA 48 -7.821 -11.939 -3.404 358 3HB ALA 48 HB2 ALA 48 -9.005 -12.403 -4.622 359 H THR 49 HN THR 49 -8.159 -9.263 -1.863 360 HA THR 49 HA THR 49 -9.828 -10.359 0.339 361 HB THR 49 HB THR 49 -7.784 -11.000 1.638 362 HG1 THR 49 HG1 THR 49 -6.609 -9.375 0.245 363 1HG2 THR 49 HG23 THR 49 -8.865 -12.601 -0.166 364 2HG2 THR 49 HG22 THR 49 -7.429 -12.210 -1.106 365 3HG2 THR 49 HG21 THR 49 -7.268 -12.993 0.462 366 H LYS 50 HN LYS 50 -8.969 -7.719 -1.095 367 HA LYS 50 HA LYS 50 -8.694 -5.485 -0.444 368 1HB LYS 50 HB2 LYS 50 -9.474 -6.392 2.327 369 2HB LYS 50 HB1 LYS 50 -9.742 -4.818 1.585 370 1HG LYS 50 HG2 LYS 50 -11.190 -5.985 -0.140 371 2HG LYS 50 HG1 LYS 50 -11.058 -7.445 0.833 372 1HD LYS 50 HD2 LYS 50 -12.073 -6.317 2.745 373 2HD LYS 50 HD1 LYS 50 -12.086 -4.786 1.876 374 1HE LYS 50 HE2 LYS 50 -13.510 -7.258 0.857 375 2HE LYS 50 HE1 LYS 50 -14.297 -6.065 1.882 376 1HZ LYS 50 HZ3 LYS 50 -12.949 -5.365 -0.658 377 2HZ LYS 50 HZ2 LYS 50 -14.598 -5.759 -0.563 378 3HZ LYS 50 HZ1 LYS 50 -14.000 -4.402 0.265 379 H THR 51 HN THR 51 -6.366 -6.393 -0.727 380 HA THR 51 HA THR 51 -4.829 -5.499 1.661 381 HB THR 51 HB THR 51 -4.403 -8.151 0.200 382 HG1 THR 51 HG1 THR 51 -5.054 -7.316 2.841 383 1HG2 THR 51 HG22 THR 51 -2.372 -6.599 1.348 384 2HG2 THR 51 HG21 THR 51 -2.900 -7.622 2.673 385 3HG2 THR 51 HG23 THR 51 -2.334 -8.345 1.174 386 H PHE 52 HN PHE 52 -3.655 -3.811 0.881 387 HA PHE 52 HA PHE 52 -2.971 -3.639 -1.951 388 1HB PHE 52 HB2 PHE 52 -3.007 -1.868 0.331 389 2HB PHE 52 HB1 PHE 52 -1.484 -1.730 -0.539 390 HD1 PHE 52 HD1 PHE 52 -1.483 -1.101 -2.968 391 HD2 PHE 52 HD2 PHE 52 -5.071 -1.227 -0.715 392 HE1 PHE 52 HE1 PHE 52 -2.653 0.158 -4.733 393 HE2 PHE 52 HE2 PHE 52 -6.195 0.138 -2.386 394 HZ PHE 52 HZ PHE 52 -4.973 0.886 -4.375 395 H THR 53 HN THR 53 -0.700 -3.373 -2.665 396 HA THR 53 HA THR 53 1.382 -4.373 -0.856 397 HB THR 53 HB THR 53 0.530 -5.996 -3.285 398 HG1 THR 53 HG1 THR 53 -0.714 -6.537 -1.583 399 1HG2 THR 53 HG23 THR 53 2.916 -6.094 -1.429 400 2HG2 THR 53 HG22 THR 53 2.269 -7.582 -2.113 401 3HG2 THR 53 HG21 THR 53 2.887 -6.321 -3.175 402 H VAL 54 HN VAL 54 3.370 -3.674 -1.449 403 HA VAL 54 HA VAL 54 3.736 -2.623 -4.212 404 HB VAL 54 HB VAL 54 3.052 -0.727 -2.730 405 1HG1 VAL 54 HG13 VAL 54 4.007 -1.715 -0.652 406 2HG1 VAL 54 HG12 VAL 54 5.622 -1.350 -1.251 407 3HG1 VAL 54 HG11 VAL 54 4.495 -0.046 -0.902 408 1HG2 VAL 54 HG23 VAL 54 5.908 -0.748 -3.745 409 2HG2 VAL 54 HG22 VAL 54 4.484 -0.124 -4.559 410 3HG2 VAL 54 HG21 VAL 54 5.122 0.698 -3.144 411 H THR 55 HN THR 55 5.930 -2.581 -4.857 412 HA THR 55 HA THR 55 7.918 -3.760 -2.988 413 HB THR 55 HB THR 55 7.306 -4.976 -5.720 414 HG1 THR 55 HG1 THR 55 5.757 -5.479 -4.178 415 1HG2 THR 55 HG23 THR 55 9.498 -5.282 -3.736 416 2HG2 THR 55 HG22 THR 55 8.726 -6.789 -4.221 417 3HG2 THR 55 HG21 THR 55 9.462 -5.747 -5.431 418 H GLU 56 HN GLU 56 9.698 -2.515 -3.128 419 HA GLU 56 HA GLU 56 10.089 -0.641 -5.309 420 1HB GLU 56 HB2 GLU 56 11.110 -0.976 -2.706 421 2HB GLU 56 HB1 GLU 56 12.498 -1.111 -3.777 422 1HG GLU 56 HG2 GLU 56 10.459 1.143 -3.847 423 2HG GLU 56 HG1 GLU 56 12.059 1.253 -3.121 Start of MODEL 19 Raw file had 423 H/Q atoms Entry Start of MODEL 19 1 1H MET 1 HT2 MET 1 -13.432 -0.670 5.802 2 2H MET 1 HT1 MET 1 -14.723 0.404 5.546 3 3H MET 1 HT3 MET 1 -14.751 -1.141 4.842 4 HA MET 1 HA MET 1 -13.524 -0.529 3.110 5 1HB MET 1 HB2 MET 1 -13.397 2.066 2.857 6 2HB MET 1 HB1 MET 1 -14.977 1.291 2.864 7 1HG MET 1 HG2 MET 1 -14.497 3.364 4.411 8 2HG MET 1 HG1 MET 1 -15.503 2.051 4.960 9 1HE MET 1 HE1 MET 1 -15.374 3.270 7.076 10 2HE MET 1 HE3 MET 1 -15.388 1.550 7.462 11 3HE MET 1 HE2 MET 1 -14.323 2.642 8.346 12 H THR 2 HN THR 2 -11.676 -1.502 4.501 13 HA THR 2 HA THR 2 -9.452 0.473 4.426 14 HB THR 2 HB THR 2 -9.818 -1.441 6.763 15 HG1 THR 2 HG1 THR 2 -10.202 1.365 6.661 16 1HG2 THR 2 HG23 THR 2 -7.544 -0.149 5.969 17 2HG2 THR 2 HG22 THR 2 -8.314 1.126 6.908 18 3HG2 THR 2 HG21 THR 2 -7.942 -0.421 7.662 19 OH TYR 3 OH TYR 3 -11.528 0.353 -1.033 20 H TYR 3 HN TYR 3 -7.837 -0.335 3.236 21 HA TYR 3 HA TYR 3 -7.760 -3.281 2.781 22 1HB TYR 3 HB2 TYR 3 -6.094 -1.256 1.305 23 2HB TYR 3 HB1 TYR 3 -6.612 -2.845 0.769 24 HD1 TYR 3 HD1 TYR 3 -7.886 0.544 1.650 25 HD2 TYR 3 HD2 TYR 3 -8.668 -3.100 -0.400 26 HE1 TYR 3 HE1 TYR 3 -9.879 1.545 0.632 27 HE2 TYR 3 HE2 TYR 3 -10.663 -2.099 -1.417 28 HH TYR 3 HH TYR 3 -11.255 0.819 -1.826 29 H LYS 4 HN LYS 4 -5.665 -4.353 2.765 30 HA LYS 4 HA LYS 4 -3.879 -3.245 4.890 31 1HB LYS 4 HB2 LYS 4 -5.113 -5.621 4.896 32 2HB LYS 4 HB1 LYS 4 -3.698 -6.079 3.966 33 1HG LYS 4 HG2 LYS 4 -2.439 -4.747 5.922 34 2HG LYS 4 HG1 LYS 4 -3.881 -5.211 6.817 35 1HD LYS 4 HD2 LYS 4 -2.052 -7.097 5.293 36 2HD LYS 4 HD1 LYS 4 -2.139 -6.940 7.044 37 1HE LYS 4 HE2 LYS 4 -4.763 -7.361 6.485 38 2HE LYS 4 HE1 LYS 4 -4.027 -8.261 5.165 39 1HZ LYS 4 HZ1 LYS 4 -2.566 -8.946 7.370 40 2HZ LYS 4 HZ3 LYS 4 -4.168 -8.907 7.932 41 3HZ LYS 4 HZ2 LYS 4 -3.755 -9.892 6.612 42 H LEU 5 HN LEU 5 -1.954 -2.486 4.239 43 HA LEU 5 HA LEU 5 -1.023 -3.130 1.512 44 1HB LEU 5 HB2 LEU 5 -0.903 -0.799 2.089 45 2HB LEU 5 HB1 LEU 5 -0.132 -1.145 3.627 46 HG LEU 5 HG LEU 5 1.902 -1.987 2.328 47 1HD1 LEU 5 HD11 LEU 5 0.414 -0.722 0.004 48 2HD1 LEU 5 HD13 LEU 5 2.061 -1.332 -0.044 49 3HD1 LEU 5 HD12 LEU 5 0.722 -2.445 0.179 50 1HD2 LEU 5 HD22 LEU 5 1.598 0.371 3.251 51 2HD2 LEU 5 HD21 LEU 5 2.761 0.203 1.941 52 3HD2 LEU 5 HD23 LEU 5 1.159 0.848 1.616 53 H ILE 6 HN ILE 6 1.069 -3.954 1.091 54 HA ILE 6 HA ILE 6 2.475 -5.232 3.351 55 HB ILE 6 HB ILE 6 2.037 -6.532 0.656 56 1HG1 ILE 6 HG12 ILE 6 0.611 -6.847 3.312 57 2HG1 ILE 6 HG11 ILE 6 -0.104 -6.477 1.748 58 1HG2 ILE 6 HG22 ILE 6 4.101 -7.103 2.106 59 2HG2 ILE 6 HG21 ILE 6 2.956 -7.803 3.243 60 3HG2 ILE 6 HG23 ILE 6 3.086 -8.449 1.611 61 1HD1 ILE 6 HD1 ILE 6 0.848 -8.755 0.976 62 2HD1 ILE 6 HD3 ILE 6 1.084 -9.097 2.686 63 3HD1 ILE 6 HD2 ILE 6 -0.533 -8.796 2.065 64 H LEU 7 HN LEU 7 4.262 -3.987 3.429 65 HA LEU 7 HA LEU 7 5.485 -2.912 1.010 66 1HB LEU 7 HB2 LEU 7 6.178 -2.810 3.930 67 2HB LEU 7 HB1 LEU 7 7.267 -2.164 2.707 68 HG LEU 7 HG LEU 7 4.392 -1.376 2.526 69 1HD1 LEU 7 HD11 LEU 7 6.328 -0.250 4.582 70 2HD1 LEU 7 HD13 LEU 7 4.760 0.443 4.182 71 3HD1 LEU 7 HD12 LEU 7 4.853 -1.144 4.938 72 1HD2 LEU 7 HD22 LEU 7 6.212 -0.653 0.927 73 2HD2 LEU 7 HD21 LEU 7 5.375 0.686 1.704 74 3HD2 LEU 7 HD23 LEU 7 6.972 0.202 2.265 75 H ASN 8 HN ASN 8 6.673 -4.126 -0.297 76 HA ASN 8 HA ASN 8 8.352 -6.283 0.896 77 1HB ASN 8 HB2 ASN 8 6.739 -6.027 -1.526 78 2HB ASN 8 HB1 ASN 8 8.358 -6.593 -1.876 79 1HD2 ASN 8 HD22 ASN 8 5.804 -9.241 -0.629 80 2HD2 ASN 8 HD21 ASN 8 5.474 -7.840 -1.518 81 H GLY 9 HN GLY 9 9.144 -3.595 1.084 82 1HA GLY 9 HA2 GLY 9 10.871 -2.750 -1.019 83 2HA GLY 9 HA1 GLY 9 10.986 -2.203 0.645 84 H LYS 10 HN LYS 10 13.024 -3.049 -1.403 85 HA LYS 10 HA LYS 10 14.189 -5.528 -0.450 86 1HB LYS 10 HB2 LYS 10 14.626 -4.584 -2.720 87 2HB LYS 10 HB1 LYS 10 15.513 -3.263 -1.969 88 1HG LYS 10 HG2 LYS 10 17.359 -4.556 -1.879 89 2HG LYS 10 HG1 LYS 10 16.502 -5.705 -0.860 90 1HD LYS 10 HD2 LYS 10 15.526 -6.733 -2.938 91 2HD LYS 10 HD1 LYS 10 16.541 -5.657 -3.895 92 1HE LYS 10 HE2 LYS 10 17.562 -7.649 -1.842 93 2HE LYS 10 HE1 LYS 10 17.597 -7.890 -3.584 94 1HZ LYS 10 HZ2 LYS 10 18.844 -5.516 -2.360 95 2HZ LYS 10 HZ1 LYS 10 19.676 -6.995 -2.443 96 3HZ LYS 10 HZ3 LYS 10 19.160 -6.230 -3.868 97 H THR 11 HN THR 11 14.494 -2.149 0.334 98 HA THR 11 HA THR 11 16.687 -2.712 2.244 99 HB THR 11 HB THR 11 16.274 -0.062 2.550 100 HG1 THR 11 HG1 THR 11 15.212 0.717 0.805 101 1HG2 THR 11 HG22 THR 11 17.659 -1.580 0.346 102 2HG2 THR 11 HG21 THR 11 17.554 0.175 0.230 103 3HG2 THR 11 HG23 THR 11 18.372 -0.571 1.599 104 H LEU 12 HN LEU 12 13.345 -2.687 2.163 105 HA LEU 12 HA LEU 12 13.179 -2.886 5.072 106 1HB LEU 12 HB2 LEU 12 13.209 -0.365 4.477 107 2HB LEU 12 HB1 LEU 12 11.586 -0.640 3.855 108 HG LEU 12 HG LEU 12 11.344 -1.885 6.239 109 1HD1 LEU 12 HD11 LEU 12 13.801 -1.131 6.666 110 2HD1 LEU 12 HD13 LEU 12 13.112 0.471 6.908 111 3HD1 LEU 12 HD12 LEU 12 12.625 -0.864 7.948 112 1HD2 LEU 12 HD22 LEU 12 11.128 1.108 5.755 113 2HD2 LEU 12 HD21 LEU 12 9.887 -0.086 5.386 114 3HD2 LEU 12 HD23 LEU 12 10.330 0.235 7.059 115 H LYS 13 HN LYS 13 11.213 -3.753 5.772 116 HA LYS 13 HA LYS 13 9.132 -4.275 3.705 117 1HB LYS 13 HB2 LYS 13 10.377 -6.401 5.476 118 2HB LYS 13 HB1 LYS 13 9.001 -6.648 4.413 119 1HG LYS 13 HG2 LYS 13 10.647 -7.310 2.944 120 2HG LYS 13 HG1 LYS 13 10.722 -5.588 2.622 121 1HD LYS 13 HD2 LYS 13 12.962 -6.000 3.062 122 2HD LYS 13 HD1 LYS 13 12.414 -5.625 4.689 123 1HE LYS 13 HE2 LYS 13 13.049 -8.299 3.471 124 2HE LYS 13 HE1 LYS 13 13.540 -7.649 5.029 125 1HZ LYS 13 HZ1 LYS 13 10.774 -8.452 4.322 126 2HZ LYS 13 HZ3 LYS 13 11.863 -9.390 5.226 127 3HZ LYS 13 HZ2 LYS 13 11.308 -7.908 5.839 128 H GLY 14 HN GLY 14 7.060 -4.317 4.527 129 1HA GLY 14 HA2 GLY 14 6.541 -4.666 7.364 130 2HA GLY 14 HA1 GLY 14 6.425 -2.979 6.879 131 H GLU 15 HN GLU 15 4.187 -3.107 7.482 132 HA GLU 15 HA GLU 15 2.424 -3.551 5.281 133 1HB GLU 15 HB2 GLU 15 1.090 -5.406 6.558 134 2HB GLU 15 HB1 GLU 15 2.491 -5.874 5.601 135 1HG GLU 15 HG2 GLU 15 3.816 -6.255 7.474 136 2HG GLU 15 HG1 GLU 15 2.927 -5.101 8.465 137 H THR 16 HN THR 16 0.776 -2.164 5.611 138 HA THR 16 HA THR 16 -0.223 -1.757 8.377 139 HB THR 16 HB THR 16 1.359 0.047 8.296 140 HG1 THR 16 HG1 THR 16 -0.213 1.824 7.847 141 1HG2 THR 16 HG21 THR 16 0.449 0.218 5.436 142 2HG2 THR 16 HG23 THR 16 0.952 1.700 6.240 143 3HG2 THR 16 HG22 THR 16 2.081 0.357 6.080 144 H THR 17 HN THR 17 -2.316 -0.866 8.491 145 HA THR 17 HA THR 17 -3.853 -1.155 5.949 146 HB THR 17 HB THR 17 -5.718 -1.825 7.275 147 HG1 THR 17 HG1 THR 17 -5.598 -1.268 9.566 148 1HG2 THR 17 HG23 THR 17 -3.342 -3.149 7.761 149 2HG2 THR 17 HG22 THR 17 -3.800 -2.641 9.381 150 3HG2 THR 17 HG21 THR 17 -4.893 -3.643 8.431 151 H THR 18 HN THR 18 -5.029 0.497 5.142 152 HA THR 18 HA THR 18 -5.221 3.007 6.761 153 HB THR 18 HB THR 18 -3.430 2.981 4.827 154 HG1 THR 18 HG1 THR 18 -3.976 4.883 5.760 155 1HG2 THR 18 HG23 THR 18 -5.396 2.119 3.225 156 2HG2 THR 18 HG22 THR 18 -5.810 3.828 3.197 157 3HG2 THR 18 HG21 THR 18 -4.227 3.296 2.641 158 H GLU 19 HN GLU 19 -7.088 4.215 6.474 159 HA GLU 19 HA GLU 19 -9.350 2.723 5.304 160 1HB GLU 19 HB2 GLU 19 -9.773 3.686 7.462 161 2HB GLU 19 HB1 GLU 19 -9.169 5.256 6.946 162 1HG GLU 19 HG2 GLU 19 -11.056 5.679 5.599 163 2HG GLU 19 HG1 GLU 19 -11.483 3.974 5.498 164 H ALA 20 HN ALA 20 -10.205 3.164 3.363 165 HA ALA 20 HA ALA 20 -9.722 5.841 2.149 166 1HB ALA 20 HB3 ALA 20 -8.411 3.446 1.362 167 2HB ALA 20 HB2 ALA 20 -9.568 3.848 0.097 168 3HB ALA 20 HB1 ALA 20 -8.344 5.019 0.577 169 H VAL 21 HN VAL 21 -11.259 6.458 0.587 170 HA VAL 21 HA VAL 21 -13.869 5.145 0.939 171 HB VAL 21 HB VAL 21 -13.421 7.692 0.890 172 1HG1 VAL 21 HG12 VAL 21 -12.126 7.306 -1.368 173 2HG1 VAL 21 HG11 VAL 21 -13.733 7.342 -2.086 174 3HG1 VAL 21 HG13 VAL 21 -13.135 8.739 -1.193 175 1HG2 VAL 21 HG23 VAL 21 -15.564 6.461 -0.880 176 2HG2 VAL 21 HG22 VAL 21 -15.679 6.694 0.862 177 3HG2 VAL 21 HG21 VAL 21 -15.613 8.089 -0.211 178 H ASP 22 HN ASP 22 -11.362 5.395 -1.446 179 HA ASP 22 HA ASP 22 -12.823 3.437 -3.126 180 1HB ASP 22 HB2 ASP 22 -12.382 4.732 -5.183 181 2HB ASP 22 HB1 ASP 22 -13.407 5.638 -4.074 182 H ALA 23 HN ALA 23 -11.348 2.602 -4.901 183 HA ALA 23 HA ALA 23 -8.847 1.778 -3.707 184 1HB ALA 23 HB2 ALA 23 -10.328 1.239 -6.208 185 2HB ALA 23 HB1 ALA 23 -8.578 1.071 -6.324 186 3HB ALA 23 HB3 ALA 23 -9.477 0.124 -5.143 187 H ALA 24 HN ALA 24 -9.768 4.297 -5.932 188 HA ALA 24 HA ALA 24 -7.171 4.848 -7.018 189 1HB ALA 24 HB3 ALA 24 -9.636 6.553 -6.625 190 2HB ALA 24 HB2 ALA 24 -8.175 7.179 -7.384 191 3HB ALA 24 HB1 ALA 24 -9.041 5.834 -8.119 192 H THR 25 HN THR 25 -8.942 6.597 -4.464 193 HA THR 25 HA THR 25 -6.722 8.168 -3.633 194 HB THR 25 HB THR 25 -9.294 8.319 -2.972 195 HG1 THR 25 HG1 THR 25 -6.880 9.031 -1.855 196 1HG2 THR 25 HG22 THR 25 -8.958 6.069 -1.613 197 2HG2 THR 25 HG21 THR 25 -8.141 7.115 -0.456 198 3HG2 THR 25 HG23 THR 25 -9.832 7.397 -0.857 199 H ALA 26 HN ALA 26 -7.507 4.861 -3.064 200 HA ALA 26 HA ALA 26 -5.931 4.510 -0.664 201 1HB ALA 26 HB2 ALA 26 -7.687 2.898 -1.408 202 2HB ALA 26 HB1 ALA 26 -6.653 2.444 -2.759 203 3HB ALA 26 HB3 ALA 26 -6.137 2.120 -1.106 204 H GLU 27 HN GLU 27 -5.270 4.402 -4.098 205 HA GLU 27 HA GLU 27 -2.654 3.240 -3.943 206 1HB GLU 27 HB2 GLU 27 -4.001 5.031 -5.972 207 2HB GLU 27 HB1 GLU 27 -2.374 4.407 -6.197 208 1HG GLU 27 HG2 GLU 27 -3.286 2.082 -5.878 209 2HG GLU 27 HG1 GLU 27 -4.904 2.775 -5.839 210 H LYS 28 HN LYS 28 -3.783 6.601 -4.046 211 HA LYS 28 HA LYS 28 -1.107 7.706 -3.822 212 1HB LYS 28 HB2 LYS 28 -3.805 8.982 -3.327 213 2HB LYS 28 HB1 LYS 28 -2.284 9.852 -3.468 214 1HG LYS 28 HG2 LYS 28 -2.297 9.706 -5.733 215 2HG LYS 28 HG1 LYS 28 -2.710 7.997 -5.692 216 1HD LYS 28 HD2 LYS 28 -4.522 9.276 -6.763 217 2HD LYS 28 HD1 LYS 28 -5.083 8.589 -5.247 218 1HE LYS 28 HE2 LYS 28 -3.867 11.303 -5.083 219 2HE LYS 28 HE1 LYS 28 -5.421 11.200 -5.895 220 1HZ LYS 28 HZ3 LYS 28 -5.717 9.663 -3.664 221 2HZ LYS 28 HZ2 LYS 28 -4.811 10.992 -3.123 222 3HZ LYS 28 HZ1 LYS 28 -6.307 11.239 -3.887 223 H VAL 29 HN VAL 29 -3.711 6.994 -1.554 224 HA VAL 29 HA VAL 29 -2.656 8.321 0.723 225 HB VAL 29 HB VAL 29 -4.363 5.853 0.427 226 1HG1 VAL 29 HG13 VAL 29 -3.248 7.170 2.903 227 2HG1 VAL 29 HG12 VAL 29 -4.788 6.317 2.951 228 3HG1 VAL 29 HG11 VAL 29 -3.317 5.455 2.513 229 1HG2 VAL 29 HG21 VAL 29 -5.015 8.420 0.008 230 2HG2 VAL 29 HG23 VAL 29 -6.142 7.299 0.764 231 3HG2 VAL 29 HG22 VAL 29 -5.193 8.398 1.759 232 H PHE 30 HN PHE 30 -2.407 4.847 -0.032 233 HA PHE 30 HA PHE 30 -0.451 4.276 1.946 234 1HB PHE 30 HB2 PHE 30 -1.300 2.953 -0.606 235 2HB PHE 30 HB1 PHE 30 0.163 2.391 0.184 236 HD1 PHE 30 HD1 PHE 30 -0.203 2.215 2.931 237 HD2 PHE 30 HD2 PHE 30 -3.221 1.751 -0.046 238 HE1 PHE 30 HE1 PHE 30 -1.580 0.929 4.512 239 HE2 PHE 30 HE2 PHE 30 -4.565 0.452 1.536 240 HZ PHE 30 HZ PHE 30 -3.743 0.005 3.801 241 H LYS 31 HN LYS 31 -0.107 5.315 -1.418 242 HA LYS 31 HA LYS 31 2.707 5.055 -1.636 243 1HB LYS 31 HB2 LYS 31 1.211 5.603 -3.537 244 2HB LYS 31 HB1 LYS 31 0.958 7.206 -2.851 245 1HG LYS 31 HG2 LYS 31 3.323 7.736 -3.068 246 2HG LYS 31 HG1 LYS 31 3.684 6.091 -3.580 247 1HD LYS 31 HD2 LYS 31 2.246 6.410 -5.581 248 2HD LYS 31 HD1 LYS 31 1.924 8.065 -5.074 249 1HE LYS 31 HE2 LYS 31 4.704 7.878 -4.975 250 2HE LYS 31 HE1 LYS 31 4.280 6.962 -6.414 251 1HZ LYS 31 HZ2 LYS 31 2.885 8.899 -7.076 252 2HZ LYS 31 HZ1 LYS 31 3.580 9.770 -5.794 253 3HZ LYS 31 HZ3 LYS 31 4.557 9.196 -7.059 254 H GLN 32 HN GLN 32 0.728 7.594 -0.227 255 HA GLN 32 HA GLN 32 2.827 9.484 0.228 256 1HB GLN 32 HB2 GLN 32 0.395 9.997 0.443 257 2HB GLN 32 HB1 GLN 32 0.344 9.016 1.902 258 1HG GLN 32 HG2 GLN 32 1.962 10.484 2.998 259 2HG GLN 32 HG1 GLN 32 2.162 11.418 1.518 260 1HE2 GLN 32 HE22 GLN 32 -0.350 13.112 3.756 261 2HE2 GLN 32 HE21 GLN 32 1.254 12.602 3.978 262 OH TYR 33 OH TYR 33 4.950 2.607 8.314 263 H TYR 33 HN TYR 33 1.715 6.669 1.979 264 HA TYR 33 HA TYR 33 3.308 7.145 4.351 265 1HB TYR 33 HB2 TYR 33 1.341 5.671 4.413 266 2HB TYR 33 HB1 TYR 33 2.109 4.585 3.260 267 HD1 TYR 33 HD1 TYR 33 4.231 3.397 3.916 268 HD2 TYR 33 HD2 TYR 33 1.923 5.584 6.740 269 HE1 TYR 33 HE1 TYR 33 5.379 2.244 5.746 270 HE2 TYR 33 HE2 TYR 33 3.072 4.429 8.573 271 HH TYR 33 HH TYR 33 4.521 1.757 8.442 272 H ALA 34 HN ALA 34 3.633 4.754 1.745 273 HA ALA 34 HA ALA 34 6.170 3.762 2.368 274 1HB ALA 34 HB2 ALA 34 4.422 3.702 0.123 275 2HB ALA 34 HB1 ALA 34 6.029 4.103 -0.474 276 3HB ALA 34 HB3 ALA 34 5.779 2.633 0.461 277 H ASN 35 HN ASN 35 5.309 6.780 0.809 278 HA ASN 35 HA ASN 35 7.889 7.520 -0.150 279 1HB ASN 35 HB2 ASN 35 5.648 8.656 -0.625 280 2HB ASN 35 HB1 ASN 35 5.841 9.459 0.930 281 1HD2 ASN 35 HD22 ASN 35 7.875 10.816 -2.268 282 2HD2 ASN 35 HD21 ASN 35 6.690 9.606 -2.385 283 H ASP 36 HN ASP 36 6.376 7.870 3.011 284 HA ASP 36 HA ASP 36 8.424 9.547 4.147 285 1HB ASP 36 HB2 ASP 36 6.158 7.920 5.183 286 2HB ASP 36 HB1 ASP 36 7.436 8.322 6.327 287 H ASN 37 HN ASN 37 8.853 6.652 2.855 288 HA ASN 37 HA ASN 37 10.977 5.898 4.822 289 1HB ASN 37 HB2 ASN 37 9.095 4.060 3.324 290 2HB ASN 37 HB1 ASN 37 10.521 3.504 4.196 291 1HD2 ASN 37 HD22 ASN 37 7.143 4.236 6.233 292 2HD2 ASN 37 HD21 ASN 37 7.210 4.178 4.537 293 H GLY 38 HN GLY 38 9.851 5.835 1.487 294 1HA GLY 38 HA2 GLY 38 11.499 6.551 -0.251 295 2HA GLY 38 HA1 GLY 38 12.709 5.603 0.606 296 H VAL 39 HN VAL 39 9.576 4.233 0.432 297 HA VAL 39 HA VAL 39 10.610 2.184 -1.455 298 HB VAL 39 HB VAL 39 8.055 2.150 0.169 299 1HG1 VAL 39 HG12 VAL 39 9.656 -0.022 -1.231 300 2HG1 VAL 39 HG11 VAL 39 8.225 -0.298 -0.241 301 3HG1 VAL 39 HG13 VAL 39 8.091 0.600 -1.749 302 1HG2 VAL 39 HG22 VAL 39 10.803 1.916 0.998 303 2HG2 VAL 39 HG21 VAL 39 9.349 1.762 1.979 304 3HG2 VAL 39 HG23 VAL 39 10.019 0.348 1.170 305 H ASP 40 HN ASP 40 10.320 2.939 -3.507 306 HA ASP 40 HA ASP 40 7.515 3.293 -4.383 307 1HB ASP 40 HB2 ASP 40 9.567 5.434 -4.319 308 2HB ASP 40 HB1 ASP 40 8.615 5.318 -5.798 309 H GLY 41 HN GLY 41 7.266 1.980 -6.068 310 1HA GLY 41 HA2 GLY 41 8.993 2.074 -8.376 311 2HA GLY 41 HA1 GLY 41 9.306 0.619 -7.435 312 H GLU 42 HN GLU 42 7.682 -0.958 -7.255 313 HA GLU 42 HA GLU 42 5.575 -0.765 -9.371 314 1HB GLU 42 HB2 GLU 42 6.691 -3.198 -7.975 315 2HB GLU 42 HB1 GLU 42 5.552 -3.212 -9.314 316 1HG GLU 42 HG2 GLU 42 7.210 -2.921 -10.835 317 2HG GLU 42 HG1 GLU 42 7.915 -1.595 -9.916 318 CH2 TRP 43 CH2 TRP 43 2.160 2.492 -2.085 319 H TRP 43 HN TRP 43 3.476 -0.796 -8.805 320 HA TRP 43 HA TRP 43 2.816 -1.389 -5.939 321 1HB TRP 43 HB2 TRP 43 1.854 0.736 -7.823 322 2HB TRP 43 HB1 TRP 43 0.847 0.227 -6.478 323 HD1 TRP 43 HD1 TRP 43 4.475 1.396 -7.137 324 HE1 TRP 43 HE1 TRP 43 5.170 2.735 -5.092 325 HE3 TRP 43 HE3 TRP 43 0.438 0.670 -4.320 326 HZ2 TRP 43 HZ2 TRP 43 4.093 3.336 -2.401 327 HZ3 TRP 43 HZ3 TRP 43 0.252 1.540 -2.042 328 HH2 TRP 43 HH2 TRP 43 2.077 2.870 -1.078 329 H THR 44 HN THR 44 1.227 -2.808 -5.541 330 HA THR 44 HA THR 44 -0.370 -3.813 -7.872 331 HB THR 44 HB THR 44 -0.321 -6.051 -6.502 332 HG1 THR 44 HG1 THR 44 0.578 -4.874 -4.685 333 1HG2 THR 44 HG21 THR 44 2.237 -4.912 -7.702 334 2HG2 THR 44 HG23 THR 44 1.958 -6.618 -7.364 335 3HG2 THR 44 HG22 THR 44 1.004 -5.796 -8.595 336 OH TYR 45 OH TYR 45 -8.909 -1.166 -3.241 337 H TYR 45 HN TYR 45 -2.396 -4.912 -7.216 338 HA TYR 45 HA TYR 45 -3.577 -3.869 -4.680 339 1HB TYR 45 HB2 TYR 45 -4.034 -2.395 -6.761 340 2HB TYR 45 HB1 TYR 45 -5.053 -3.723 -7.322 341 HD1 TYR 45 HD1 TYR 45 -6.649 -4.611 -5.068 342 HD2 TYR 45 HD2 TYR 45 -5.299 -0.672 -5.903 343 HE1 TYR 45 HE1 TYR 45 -8.422 -3.706 -3.661 344 HE2 TYR 45 HE2 TYR 45 -7.117 0.231 -4.546 345 HH TYR 45 HH TYR 45 -8.585 -0.372 -2.808 346 H ASP 46 HN ASP 46 -4.669 -5.442 -3.650 347 HA ASP 46 HA ASP 46 -5.479 -7.866 -5.217 348 1HB ASP 46 HB2 ASP 46 -3.703 -8.003 -3.315 349 2HB ASP 46 HB1 ASP 46 -5.083 -7.846 -2.239 350 H ASP 47 HN ASP 47 -7.517 -6.850 -5.735 351 HA ASP 47 HA ASP 47 -9.323 -5.991 -3.629 352 1HB ASP 47 HB2 ASP 47 -9.565 -5.093 -5.885 353 2HB ASP 47 HB1 ASP 47 -9.842 -6.711 -6.527 354 H ALA 48 HN ALA 48 -8.319 -9.007 -4.714 355 HA ALA 48 HA ALA 48 -10.773 -10.494 -4.409 356 1HB ALA 48 HB2 ALA 48 -8.067 -11.050 -5.101 357 2HB ALA 48 HB1 ALA 48 -8.506 -12.123 -3.775 358 3HB ALA 48 HB3 ALA 48 -9.462 -12.114 -5.253 359 H THR 49 HN THR 49 -8.488 -9.177 -2.192 360 HA THR 49 HA THR 49 -10.070 -10.317 0.049 361 HB THR 49 HB THR 49 -8.000 -11.010 1.254 362 HG1 THR 49 HG1 THR 49 -6.887 -10.099 -1.205 363 1HG2 THR 49 HG23 THR 49 -9.107 -12.544 -0.588 364 2HG2 THR 49 HG22 THR 49 -7.701 -12.094 -1.549 365 3HG2 THR 49 HG21 THR 49 -7.488 -12.944 -0.021 366 H LYS 50 HN LYS 50 -9.136 -7.648 -1.382 367 HA LYS 50 HA LYS 50 -8.825 -5.427 -0.684 368 1HB LYS 50 HB2 LYS 50 -9.676 -6.362 2.058 369 2HB LYS 50 HB1 LYS 50 -9.907 -4.777 1.329 370 1HG LYS 50 HG2 LYS 50 -11.278 -6.029 -0.482 371 2HG LYS 50 HG1 LYS 50 -11.307 -7.369 0.659 372 1HD LYS 50 HD2 LYS 50 -12.289 -4.546 1.201 373 2HD LYS 50 HD1 LYS 50 -13.304 -5.964 0.960 374 1HE LYS 50 HE2 LYS 50 -11.787 -6.941 2.928 375 2HE LYS 50 HE1 LYS 50 -11.592 -5.234 3.305 376 1HZ LYS 50 HZ3 LYS 50 -14.294 -5.730 2.761 377 2HZ LYS 50 HZ2 LYS 50 -13.756 -6.886 3.883 378 3HZ LYS 50 HZ1 LYS 50 -13.581 -5.231 4.219 379 H THR 51 HN THR 51 -6.517 -6.381 -0.938 380 HA THR 51 HA THR 51 -5.008 -5.572 1.498 381 HB THR 51 HB THR 51 -4.628 -8.212 0.004 382 HG1 THR 51 HG1 THR 51 -5.003 -7.664 2.747 383 1HG2 THR 51 HG22 THR 51 -2.577 -6.717 1.217 384 2HG2 THR 51 HG21 THR 51 -3.131 -7.795 2.487 385 3HG2 THR 51 HG23 THR 51 -2.563 -8.453 0.959 386 H PHE 52 HN PHE 52 -3.756 -3.917 0.782 387 HA PHE 52 HA PHE 52 -3.034 -3.692 -2.036 388 1HB PHE 52 HB2 PHE 52 -3.062 -1.983 0.290 389 2HB PHE 52 HB1 PHE 52 -1.525 -1.861 -0.555 390 HD1 PHE 52 HD1 PHE 52 -1.476 -1.161 -2.967 391 HD2 PHE 52 HD2 PHE 52 -5.098 -1.259 -0.768 392 HE1 PHE 52 HE1 PHE 52 -2.590 0.177 -4.710 393 HE2 PHE 52 HE2 PHE 52 -6.163 0.184 -2.415 394 HZ PHE 52 HZ PHE 52 -4.896 0.953 -4.366 395 H THR 53 HN THR 53 -0.726 -3.420 -2.676 396 HA THR 53 HA THR 53 1.301 -4.498 -0.867 397 HB THR 53 HB THR 53 0.460 -6.096 -3.316 398 HG1 THR 53 HG1 THR 53 -0.477 -7.302 -1.813 399 1HG2 THR 53 HG22 THR 53 2.887 -6.086 -1.584 400 2HG2 THR 53 HG21 THR 53 2.136 -7.661 -1.825 401 3HG2 THR 53 HG23 THR 53 2.692 -6.730 -3.212 402 H VAL 54 HN VAL 54 3.304 -3.834 -1.440 403 HA VAL 54 HA VAL 54 3.710 -2.778 -4.196 404 HB VAL 54 HB VAL 54 3.058 -0.899 -2.644 405 1HG1 VAL 54 HG12 VAL 54 4.218 -1.997 -0.670 406 2HG1 VAL 54 HG11 VAL 54 5.739 -1.435 -1.351 407 3HG1 VAL 54 HG13 VAL 54 4.512 -0.276 -0.853 408 1HG2 VAL 54 HG22 VAL 54 5.855 -0.947 -3.810 409 2HG2 VAL 54 HG21 VAL 54 4.394 -0.332 -4.563 410 3HG2 VAL 54 HG23 VAL 54 5.096 0.512 -3.193 411 H THR 55 HN THR 55 5.881 -2.825 -4.854 412 HA THR 55 HA THR 55 7.861 -4.005 -2.975 413 HB THR 55 HB THR 55 7.196 -5.264 -5.675 414 HG1 THR 55 HG1 THR 55 5.716 -6.101 -4.397 415 1HG2 THR 55 HG21 THR 55 9.390 -5.586 -3.700 416 2HG2 THR 55 HG23 THR 55 8.569 -7.082 -4.137 417 3HG2 THR 55 HG22 THR 55 9.326 -6.096 -5.380 418 H GLU 56 HN GLU 56 9.562 -2.651 -3.121 419 HA GLU 56 HA GLU 56 10.002 -0.824 -5.270 420 1HB GLU 56 HB2 GLU 56 11.122 -1.257 -2.766 421 2HB GLU 56 HB1 GLU 56 12.450 -1.582 -3.870 422 1HG GLU 56 HG2 GLU 56 10.718 0.916 -3.868 423 2HG GLU 56 HG1 GLU 56 12.376 0.817 -3.282 Start of MODEL 20 Raw file had 423 H/Q atoms Entry Start of MODEL 20 1 1H MET 1 HT2 MET 1 -13.017 1.676 2.580 2 2H MET 1 HT1 MET 1 -14.365 0.698 2.250 3 3H MET 1 HT3 MET 1 -14.418 1.814 3.529 4 HA MET 1 HA MET 1 -13.813 0.177 4.867 5 1HB MET 1 HB2 MET 1 -12.862 -1.382 2.450 6 2HB MET 1 HB1 MET 1 -13.163 -2.024 4.061 7 1HG MET 1 HG2 MET 1 -15.281 -2.387 3.469 8 2HG MET 1 HG1 MET 1 -15.503 -0.660 3.390 9 1HE MET 1 HE2 MET 1 -17.251 -2.814 2.076 10 2HE MET 1 HE1 MET 1 -17.599 -1.095 1.891 11 3HE MET 1 HE3 MET 1 -17.570 -2.146 0.475 12 H THR 2 HN THR 2 -11.633 -1.411 5.060 13 HA THR 2 HA THR 2 -9.330 0.471 4.680 14 HB THR 2 HB THR 2 -9.607 -1.461 7.008 15 HG1 THR 2 HG1 THR 2 -11.229 0.390 6.535 16 1HG2 THR 2 HG22 THR 2 -7.410 -0.090 6.211 17 2HG2 THR 2 HG21 THR 2 -8.230 1.190 7.099 18 3HG2 THR 2 HG23 THR 2 -7.799 -0.310 7.912 19 OH TYR 3 OH TYR 3 -11.650 0.302 -0.687 20 H TYR 3 HN TYR 3 -7.778 -0.352 3.424 21 HA TYR 3 HA TYR 3 -7.717 -3.305 3.004 22 1HB TYR 3 HB2 TYR 3 -6.117 -1.315 1.412 23 2HB TYR 3 HB1 TYR 3 -6.682 -2.906 0.933 24 HD1 TYR 3 HD1 TYR 3 -7.904 0.505 1.842 25 HD2 TYR 3 HD2 TYR 3 -8.765 -3.149 -0.159 26 HE1 TYR 3 HE1 TYR 3 -9.942 1.497 0.908 27 HE2 TYR 3 HE2 TYR 3 -10.799 -2.150 -1.102 28 HH TYR 3 HH TYR 3 -11.716 1.203 -0.360 29 H LYS 4 HN LYS 4 -5.556 -4.323 2.835 30 HA LYS 4 HA LYS 4 -3.736 -3.209 4.934 31 1HB LYS 4 HB2 LYS 4 -4.894 -5.632 4.906 32 2HB LYS 4 HB1 LYS 4 -3.483 -6.009 3.937 33 1HG LYS 4 HG2 LYS 4 -2.209 -4.704 5.878 34 2HG LYS 4 HG1 LYS 4 -3.626 -5.177 6.809 35 1HD LYS 4 HD2 LYS 4 -3.274 -7.539 6.132 36 2HD LYS 4 HD1 LYS 4 -1.841 -7.061 5.231 37 1HE LYS 4 HE2 LYS 4 -0.592 -7.101 7.105 38 2HE LYS 4 HE1 LYS 4 -1.697 -5.996 7.912 39 1HZ LYS 4 HZ2 LYS 4 -2.435 -8.823 7.622 40 2HZ LYS 4 HZ1 LYS 4 -1.334 -8.369 8.832 41 3HZ LYS 4 HZ3 LYS 4 -2.897 -7.705 8.815 42 H LEU 5 HN LEU 5 -1.811 -2.438 4.264 43 HA LEU 5 HA LEU 5 -0.990 -2.990 1.481 44 1HB LEU 5 HB2 LEU 5 -0.819 -0.681 2.142 45 2HB LEU 5 HB1 LEU 5 0.024 -1.092 3.625 46 HG LEU 5 HG LEU 5 1.971 -1.917 2.199 47 1HD1 LEU 5 HD12 LEU 5 0.325 -0.620 0.003 48 2HD1 LEU 5 HD11 LEU 5 1.999 -1.130 -0.165 49 3HD1 LEU 5 HD13 LEU 5 0.741 -2.327 0.102 50 1HD2 LEU 5 HD22 LEU 5 1.773 0.405 3.207 51 2HD2 LEU 5 HD21 LEU 5 2.830 0.283 1.805 52 3HD2 LEU 5 HD23 LEU 5 1.212 0.950 1.631 53 H ILE 6 HN ILE 6 1.007 -3.913 0.942 54 HA ILE 6 HA ILE 6 2.451 -5.307 3.119 55 HB ILE 6 HB ILE 6 1.599 -6.300 0.414 56 1HG1 ILE 6 HG12 ILE 6 1.593 -7.573 3.177 57 2HG1 ILE 6 HG11 ILE 6 0.221 -6.716 2.493 58 1HG2 ILE 6 HG22 ILE 6 4.018 -7.054 2.039 59 2HG2 ILE 6 HG21 ILE 6 3.190 -8.295 1.110 60 3HG2 ILE 6 HG23 ILE 6 3.865 -6.893 0.293 61 1HD1 ILE 6 HD3 ILE 6 0.774 -8.455 0.456 62 2HD1 ILE 6 HD2 ILE 6 1.272 -9.416 1.843 63 3HD1 ILE 6 HD1 ILE 6 -0.372 -8.800 1.744 64 H LEU 7 HN LEU 7 4.216 -4.039 3.324 65 HA LEU 7 HA LEU 7 5.486 -2.807 1.007 66 1HB LEU 7 HB2 LEU 7 6.139 -2.915 3.942 67 2HB LEU 7 HB1 LEU 7 7.226 -2.167 2.779 68 HG LEU 7 HG LEU 7 4.396 -1.356 2.511 69 1HD1 LEU 7 HD13 LEU 7 6.023 -0.794 5.002 70 2HD1 LEU 7 HD12 LEU 7 4.729 0.276 4.473 71 3HD1 LEU 7 HD11 LEU 7 4.371 -1.394 4.902 72 1HD2 LEU 7 HD23 LEU 7 6.450 -0.410 1.318 73 2HD2 LEU 7 HD22 LEU 7 5.408 0.781 2.087 74 3HD2 LEU 7 HD21 LEU 7 6.912 0.298 2.863 75 H ASN 8 HN ASN 8 6.648 -4.017 -0.360 76 HA ASN 8 HA ASN 8 8.286 -6.236 0.773 77 1HB ASN 8 HB2 ASN 8 6.774 -5.834 -1.682 78 2HB ASN 8 HB1 ASN 8 8.417 -6.339 -2.022 79 1HD2 ASN 8 HD22 ASN 8 5.888 -9.123 -1.035 80 2HD2 ASN 8 HD21 ASN 8 5.543 -7.667 -1.823 81 H GLY 9 HN GLY 9 9.118 -3.590 1.200 82 1HA GLY 9 HA2 GLY 9 10.919 -2.541 -0.714 83 2HA GLY 9 HA1 GLY 9 11.059 -2.280 1.016 84 H LYS 10 HN LYS 10 13.007 -2.941 -1.229 85 HA LYS 10 HA LYS 10 14.072 -5.546 -0.847 86 1HB LYS 10 HB2 LYS 10 14.876 -3.098 -2.150 87 2HB LYS 10 HB1 LYS 10 16.248 -3.777 -1.289 88 1HG LYS 10 HG2 LYS 10 16.271 -4.760 -3.483 89 2HG LYS 10 HG1 LYS 10 15.701 -6.016 -2.394 90 1HD LYS 10 HD2 LYS 10 13.402 -5.649 -3.063 91 2HD LYS 10 HD1 LYS 10 13.830 -4.182 -3.933 92 1HE LYS 10 HE2 LYS 10 13.506 -6.300 -5.352 93 2HE LYS 10 HE1 LYS 10 14.992 -5.399 -5.621 94 1HZ LYS 10 HZ1 LYS 10 14.919 -7.590 -3.657 95 2HZ LYS 10 HZ3 LYS 10 15.107 -7.927 -5.310 96 3HZ LYS 10 HZ2 LYS 10 16.246 -6.956 -4.507 97 H THR 11 HN THR 11 14.711 -2.512 0.831 98 HA THR 11 HA THR 11 16.236 -4.043 2.897 99 HB THR 11 HB THR 11 16.997 -1.517 3.402 100 HG1 THR 11 HG1 THR 11 15.577 -0.710 1.815 101 1HG2 THR 11 HG23 THR 11 17.944 -3.456 1.305 102 2HG2 THR 11 HG22 THR 11 18.652 -1.844 1.341 103 3HG2 THR 11 HG21 THR 11 18.790 -2.898 2.744 104 H LEU 12 HN LEU 12 13.249 -2.894 2.356 105 HA LEU 12 HA LEU 12 12.790 -2.504 5.262 106 1HB LEU 12 HB2 LEU 12 13.171 -0.236 4.248 107 2HB LEU 12 HB1 LEU 12 11.780 -0.519 3.213 108 HG LEU 12 HG LEU 12 10.368 -0.855 5.262 109 1HD1 LEU 12 HD11 LEU 12 13.035 -0.415 6.552 110 2HD1 LEU 12 HD13 LEU 12 11.626 0.280 7.345 111 3HD1 LEU 12 HD12 LEU 12 11.707 -1.454 7.055 112 1HD2 LEU 12 HD22 LEU 12 10.551 1.357 4.122 113 2HD2 LEU 12 HD21 LEU 12 10.266 1.522 5.851 114 3HD2 LEU 12 HD23 LEU 12 11.881 1.776 5.197 115 H LYS 13 HN LYS 13 11.629 -4.436 5.275 116 HA LYS 13 HA LYS 13 9.216 -4.572 3.535 117 1HB LYS 13 HB2 LYS 13 10.433 -6.706 5.299 118 2HB LYS 13 HB1 LYS 13 9.116 -6.933 4.157 119 1HG LYS 13 HG2 LYS 13 10.593 -6.313 2.294 120 2HG LYS 13 HG1 LYS 13 11.909 -5.996 3.418 121 1HD LYS 13 HD2 LYS 13 10.637 -8.668 3.659 122 2HD LYS 13 HD1 LYS 13 11.548 -8.392 2.178 123 1HE LYS 13 HE2 LYS 13 13.524 -7.749 3.467 124 2HE LYS 13 HE1 LYS 13 12.621 -7.876 4.971 125 1HZ LYS 13 HZ2 LYS 13 12.225 -10.260 4.332 126 2HZ LYS 13 HZ1 LYS 13 13.405 -10.051 3.129 127 3HZ LYS 13 HZ3 LYS 13 13.817 -9.858 4.765 128 H GLY 14 HN GLY 14 7.211 -4.321 4.367 129 1HA GLY 14 HA2 GLY 14 6.683 -4.795 7.206 130 2HA GLY 14 HA1 GLY 14 6.627 -3.094 6.756 131 H GLU 15 HN GLU 15 4.387 -3.148 7.371 132 HA GLU 15 HA GLU 15 2.585 -3.496 5.172 133 1HB GLU 15 HB2 GLU 15 1.215 -5.348 6.090 134 2HB GLU 15 HB1 GLU 15 2.840 -5.890 5.695 135 1HG GLU 15 HG2 GLU 15 2.902 -6.690 7.827 136 2HG GLU 15 HG1 GLU 15 3.123 -5.011 8.309 137 H THR 16 HN THR 16 0.889 -2.152 5.540 138 HA THR 16 HA THR 16 -0.002 -1.686 8.330 139 HB THR 16 HB THR 16 1.838 0.035 7.683 140 HG1 THR 16 HG1 THR 16 0.248 0.221 9.355 141 1HG2 THR 16 HG21 THR 16 0.435 0.391 5.389 142 2HG2 THR 16 HG23 THR 16 -0.406 1.547 6.415 143 3HG2 THR 16 HG22 THR 16 1.326 1.704 6.147 144 H THR 17 HN THR 17 -2.099 -0.806 8.491 145 HA THR 17 HA THR 17 -3.687 -1.077 5.975 146 HB THR 17 HB THR 17 -5.521 -1.780 7.327 147 HG1 THR 17 HG1 THR 17 -5.423 -1.227 9.592 148 1HG2 THR 17 HG22 THR 17 -3.134 -3.095 7.739 149 2HG2 THR 17 HG21 THR 17 -3.538 -2.598 9.378 150 3HG2 THR 17 HG23 THR 17 -4.658 -3.600 8.460 151 H THR 18 HN THR 18 -5.088 0.524 5.325 152 HA THR 18 HA THR 18 -5.236 3.003 6.968 153 HB THR 18 HB THR 18 -3.368 3.072 5.112 154 HG1 THR 18 HG1 THR 18 -4.056 4.902 6.162 155 1HG2 THR 18 HG23 THR 18 -5.291 2.269 3.399 156 2HG2 THR 18 HG22 THR 18 -5.652 3.992 3.396 157 3HG2 THR 18 HG21 THR 18 -4.060 3.422 2.905 158 H GLU 19 HN GLU 19 -7.042 4.343 6.472 159 HA GLU 19 HA GLU 19 -9.302 2.826 5.331 160 1HB GLU 19 HB2 GLU 19 -8.976 4.877 7.309 161 2HB GLU 19 HB1 GLU 19 -10.108 5.439 6.084 162 1HG GLU 19 HG2 GLU 19 -11.434 3.384 6.332 163 2HG GLU 19 HG1 GLU 19 -10.274 2.755 7.500 164 H ALA 20 HN ALA 20 -10.168 3.190 3.376 165 HA ALA 20 HA ALA 20 -9.546 5.739 1.965 166 1HB ALA 20 HB3 ALA 20 -8.386 3.192 1.356 167 2HB ALA 20 HB2 ALA 20 -9.466 3.642 0.039 168 3HB ALA 20 HB1 ALA 20 -8.159 4.722 0.514 169 H VAL 21 HN VAL 21 -11.268 6.537 0.887 170 HA VAL 21 HA VAL 21 -13.815 5.133 1.076 171 HB VAL 21 HB VAL 21 -13.617 7.603 1.298 172 1HG1 VAL 21 HG12 VAL 21 -12.024 7.352 -0.984 173 2HG1 VAL 21 HG11 VAL 21 -13.497 8.108 -1.580 174 3HG1 VAL 21 HG13 VAL 21 -12.584 8.864 -0.279 175 1HG2 VAL 21 HG22 VAL 21 -15.764 6.546 0.614 176 2HG2 VAL 21 HG21 VAL 21 -15.568 8.139 -0.109 177 3HG2 VAL 21 HG23 VAL 21 -15.288 6.694 -1.074 178 H ASP 22 HN ASP 22 -11.326 5.428 -1.291 179 HA ASP 22 HA ASP 22 -12.851 3.643 -3.088 180 1HB ASP 22 HB2 ASP 22 -12.296 5.122 -5.069 181 2HB ASP 22 HB1 ASP 22 -13.508 5.785 -3.974 182 H ALA 23 HN ALA 23 -11.549 2.332 -4.319 183 HA ALA 23 HA ALA 23 -8.965 1.698 -3.481 184 1HB ALA 23 HB2 ALA 23 -10.540 1.208 -5.946 185 2HB ALA 23 HB1 ALA 23 -8.800 0.976 -6.087 186 3HB ALA 23 HB3 ALA 23 -9.717 0.061 -4.893 187 H ALA 24 HN ALA 24 -9.981 4.302 -5.512 188 HA ALA 24 HA ALA 24 -7.464 4.835 -6.798 189 1HB ALA 24 HB3 ALA 24 -9.900 6.512 -6.210 190 2HB ALA 24 HB2 ALA 24 -8.480 7.201 -6.992 191 3HB ALA 24 HB1 ALA 24 -9.356 5.880 -7.761 192 H THR 25 HN THR 25 -9.022 6.640 -4.144 193 HA THR 25 HA THR 25 -6.729 8.133 -3.425 194 HB THR 25 HB THR 25 -9.214 8.356 -2.572 195 HG1 THR 25 HG1 THR 25 -7.658 8.793 -0.432 196 1HG2 THR 25 HG23 THR 25 -8.873 5.989 -1.380 197 2HG2 THR 25 HG22 THR 25 -8.036 6.964 -0.177 198 3HG2 THR 25 HG21 THR 25 -9.729 7.278 -0.543 199 H ALA 26 HN ALA 26 -7.472 4.811 -2.901 200 HA ALA 26 HA ALA 26 -5.751 4.415 -0.607 201 1HB ALA 26 HB3 ALA 26 -7.552 2.818 -1.263 202 2HB ALA 26 HB2 ALA 26 -6.608 2.388 -2.687 203 3HB ALA 26 HB1 ALA 26 -5.984 2.036 -1.077 204 H GLU 27 HN GLU 27 -5.315 4.360 -4.082 205 HA GLU 27 HA GLU 27 -2.691 3.202 -4.104 206 1HB GLU 27 HB2 GLU 27 -4.315 4.846 -6.012 207 2HB GLU 27 HB1 GLU 27 -2.598 4.649 -6.328 208 1HG GLU 27 HG2 GLU 27 -2.886 2.167 -6.173 209 2HG GLU 27 HG1 GLU 27 -4.617 2.415 -5.963 210 H LYS 28 HN LYS 28 -3.812 6.571 -4.109 211 HA LYS 28 HA LYS 28 -1.089 7.614 -3.976 212 1HB LYS 28 HB2 LYS 28 -3.755 8.976 -3.548 213 2HB LYS 28 HB1 LYS 28 -2.209 9.804 -3.667 214 1HG LYS 28 HG2 LYS 28 -2.369 9.780 -5.921 215 2HG LYS 28 HG1 LYS 28 -2.374 8.023 -5.891 216 1HD LYS 28 HD2 LYS 28 -4.397 8.660 -7.000 217 2HD LYS 28 HD1 LYS 28 -4.882 8.161 -5.386 218 1HE LYS 28 HE2 LYS 28 -4.943 10.853 -6.637 219 2HE LYS 28 HE1 LYS 28 -5.980 10.178 -5.391 220 1HZ LYS 28 HZ3 LYS 28 -3.183 10.938 -4.830 221 2HZ LYS 28 HZ2 LYS 28 -4.452 12.061 -4.737 222 3HZ LYS 28 HZ1 LYS 28 -4.455 10.692 -3.732 223 H VAL 29 HN VAL 29 -3.666 6.971 -1.658 224 HA VAL 29 HA VAL 29 -2.527 8.390 0.548 225 HB VAL 29 HB VAL 29 -4.389 6.031 0.369 226 1HG1 VAL 29 HG11 VAL 29 -3.105 7.284 2.800 227 2HG1 VAL 29 HG13 VAL 29 -4.690 6.526 2.902 228 3HG1 VAL 29 HG12 VAL 29 -3.290 5.575 2.422 229 1HG2 VAL 29 HG21 VAL 29 -4.960 8.557 -0.106 230 2HG2 VAL 29 HG23 VAL 29 -6.052 7.604 0.894 231 3HG2 VAL 29 HG22 VAL 29 -4.905 8.706 1.647 232 H PHE 30 HN PHE 30 -2.474 4.869 -0.027 233 HA PHE 30 HA PHE 30 -0.526 4.266 1.926 234 1HB PHE 30 HB2 PHE 30 -1.422 2.940 -0.608 235 2HB PHE 30 HB1 PHE 30 0.044 2.348 0.161 236 HD1 PHE 30 HD1 PHE 30 -0.289 2.208 2.919 237 HD2 PHE 30 HD2 PHE 30 -3.348 1.755 -0.017 238 HE1 PHE 30 HE1 PHE 30 -1.667 0.959 4.530 239 HE2 PHE 30 HE2 PHE 30 -4.687 0.484 1.593 240 HZ PHE 30 HZ PHE 30 -3.844 0.051 3.853 241 H LYS 31 HN LYS 31 -0.183 5.475 -1.342 242 HA LYS 31 HA LYS 31 2.651 5.078 -1.575 243 1HB LYS 31 HB2 LYS 31 1.181 5.585 -3.505 244 2HB LYS 31 HB1 LYS 31 0.920 7.203 -2.860 245 1HG LYS 31 HG2 LYS 31 3.750 6.660 -2.934 246 2HG LYS 31 HG1 LYS 31 3.054 6.332 -4.516 247 1HD LYS 31 HD2 LYS 31 1.992 8.557 -4.527 248 2HD LYS 31 HD1 LYS 31 2.643 8.886 -2.925 249 1HE LYS 31 HE2 LYS 31 4.277 8.336 -5.424 250 2HE LYS 31 HE1 LYS 31 4.067 9.907 -4.661 251 1HZ LYS 31 HZ3 LYS 31 4.967 8.664 -2.590 252 2HZ LYS 31 HZ2 LYS 31 5.602 7.584 -3.737 253 3HZ LYS 31 HZ1 LYS 31 6.043 9.224 -3.780 254 H GLN 32 HN GLN 32 0.701 7.822 -0.465 255 HA GLN 32 HA GLN 32 2.791 9.652 0.030 256 1HB GLN 32 HB2 GLN 32 0.340 10.146 0.241 257 2HB GLN 32 HB1 GLN 32 0.333 9.248 1.755 258 1HG GLN 32 HG2 GLN 32 2.521 11.070 1.881 259 2HG GLN 32 HG1 GLN 32 1.124 11.978 1.309 260 1HE2 GLN 32 HE22 GLN 32 -0.808 11.047 4.310 261 2HE2 GLN 32 HE21 GLN 32 -1.014 10.991 2.626 262 OH TYR 33 OH TYR 33 4.838 3.324 8.533 263 H TYR 33 HN TYR 33 1.848 6.780 1.713 264 HA TYR 33 HA TYR 33 3.402 7.370 4.116 265 1HB TYR 33 HB2 TYR 33 1.387 5.899 4.163 266 2HB TYR 33 HB1 TYR 33 2.252 4.736 3.164 267 HD1 TYR 33 HD1 TYR 33 4.291 3.609 4.050 268 HD2 TYR 33 HD2 TYR 33 1.900 6.116 6.515 269 HE1 TYR 33 HE1 TYR 33 5.359 2.667 6.041 270 HE2 TYR 33 HE2 TYR 33 2.968 5.171 8.511 271 HH TYR 33 HH TYR 33 5.721 3.695 8.599 272 H ALA 34 HN ALA 34 3.657 4.718 1.770 273 HA ALA 34 HA ALA 34 6.193 3.789 2.342 274 1HB ALA 34 HB2 ALA 34 4.457 3.767 0.024 275 2HB ALA 34 HB1 ALA 34 6.146 3.866 -0.466 276 3HB ALA 34 HB3 ALA 34 5.602 2.544 0.560 277 H ASN 35 HN ASN 35 5.357 6.821 0.888 278 HA ASN 35 HA ASN 35 7.947 7.433 -0.224 279 1HB ASN 35 HB2 ASN 35 5.785 8.607 -0.795 280 2HB ASN 35 HB1 ASN 35 5.878 9.407 0.772 281 1HD2 ASN 35 HD22 ASN 35 8.568 11.548 -0.175 282 2HD2 ASN 35 HD21 ASN 35 7.742 10.868 1.142 283 H ASP 36 HN ASP 36 6.354 8.473 2.783 284 HA ASP 36 HA ASP 36 8.549 9.900 3.865 285 1HB ASP 36 HB2 ASP 36 6.349 8.348 5.253 286 2HB ASP 36 HB1 ASP 36 7.465 9.428 6.087 287 H ASN 37 HN ASN 37 8.302 6.637 3.170 288 HA ASN 37 HA ASN 37 10.383 5.905 5.193 289 1HB ASN 37 HB2 ASN 37 8.184 4.398 3.859 290 2HB ASN 37 HB1 ASN 37 9.657 3.518 4.253 291 1HD2 ASN 37 HD22 ASN 37 7.209 4.833 7.250 292 2HD2 ASN 37 HD21 ASN 37 6.956 5.344 5.651 293 H GLY 38 HN GLY 38 9.591 5.951 1.783 294 1HA GLY 38 HA2 GLY 38 11.327 6.246 0.099 295 2HA GLY 38 HA1 GLY 38 12.463 5.445 1.178 296 H VAL 39 HN VAL 39 9.374 4.740 -0.462 297 HA VAL 39 HA VAL 39 10.572 2.224 -1.485 298 HB VAL 39 HB VAL 39 7.911 2.278 -0.039 299 1HG1 VAL 39 HG11 VAL 39 9.594 0.093 -1.304 300 2HG1 VAL 39 HG13 VAL 39 8.263 -0.241 -0.199 301 3HG1 VAL 39 HG12 VAL 39 7.953 0.561 -1.736 302 1HG2 VAL 39 HG21 VAL 39 10.662 1.325 0.821 303 2HG2 VAL 39 HG23 VAL 39 9.677 2.562 1.597 304 3HG2 VAL 39 HG22 VAL 39 9.175 0.876 1.651 305 H ASP 40 HN ASP 40 10.436 3.743 -3.379 306 HA ASP 40 HA ASP 40 7.679 3.829 -4.541 307 1HB ASP 40 HB2 ASP 40 10.074 5.351 -5.561 308 2HB ASP 40 HB1 ASP 40 8.369 5.683 -5.849 309 H GLY 41 HN GLY 41 7.249 2.352 -6.041 310 1HA GLY 41 HA2 GLY 41 9.078 1.774 -8.209 311 2HA GLY 41 HA1 GLY 41 9.009 0.438 -7.063 312 H GLU 42 HN GLU 42 7.598 -1.086 -7.619 313 HA GLU 42 HA GLU 42 5.384 -0.415 -9.471 314 1HB GLU 42 HB2 GLU 42 6.315 -3.073 -8.377 315 2HB GLU 42 HB1 GLU 42 5.081 -2.863 -9.610 316 1HG GLU 42 HG2 GLU 42 7.762 -1.581 -10.042 317 2HG GLU 42 HG1 GLU 42 7.608 -3.316 -10.304 318 CH2 TRP 43 CH2 TRP 43 2.004 2.516 -2.228 319 H TRP 43 HN TRP 43 3.200 -0.910 -8.989 320 HA TRP 43 HA TRP 43 2.617 -1.326 -6.079 321 1HB TRP 43 HB2 TRP 43 1.597 0.764 -7.971 322 2HB TRP 43 HB1 TRP 43 0.617 0.260 -6.605 323 HD1 TRP 43 HD1 TRP 43 4.202 1.501 -7.350 324 HE1 TRP 43 HE1 TRP 43 4.939 2.820 -5.307 325 HE3 TRP 43 HE3 TRP 43 0.250 0.698 -4.437 326 HZ2 TRP 43 HZ2 TRP 43 3.917 3.389 -2.583 327 HZ3 TRP 43 HZ3 TRP 43 0.110 1.538 -2.147 328 HH2 TRP 43 HH2 TRP 43 1.940 2.883 -1.214 329 H THR 44 HN THR 44 1.067 -2.761 -5.621 330 HA THR 44 HA THR 44 -0.580 -3.816 -7.896 331 HB THR 44 HB THR 44 -0.440 -6.046 -6.518 332 HG1 THR 44 HG1 THR 44 1.934 -4.771 -5.681 333 1HG2 THR 44 HG23 THR 44 0.860 -5.530 -8.689 334 2HG2 THR 44 HG22 THR 44 2.180 -5.008 -7.649 335 3HG2 THR 44 HG21 THR 44 1.628 -6.678 -7.599 336 OH TYR 45 OH TYR 45 -9.034 -1.455 -2.984 337 H TYR 45 HN TYR 45 -2.525 -5.021 -7.131 338 HA TYR 45 HA TYR 45 -3.665 -3.978 -4.582 339 1HB TYR 45 HB2 TYR 45 -4.260 -2.565 -6.683 340 2HB TYR 45 HB1 TYR 45 -5.247 -3.945 -7.165 341 HD1 TYR 45 HD1 TYR 45 -6.675 -4.839 -4.803 342 HD2 TYR 45 HD2 TYR 45 -5.569 -0.868 -5.822 343 HE1 TYR 45 HE1 TYR 45 -8.441 -3.982 -3.360 344 HE2 TYR 45 HE2 TYR 45 -7.372 -0.008 -4.410 345 HH TYR 45 HH TYR 45 -8.758 -0.602 -2.640 346 H ASP 46 HN ASP 46 -4.578 -5.626 -3.488 347 HA ASP 46 HA ASP 46 -5.210 -8.138 -4.977 348 1HB ASP 46 HB2 ASP 46 -3.616 -8.045 -2.921 349 2HB ASP 46 HB1 ASP 46 -5.096 -7.902 -1.977 350 H ASP 47 HN ASP 47 -7.200 -6.876 -5.682 351 HA ASP 47 HA ASP 47 -9.265 -6.206 -3.821 352 1HB ASP 47 HB2 ASP 47 -9.164 -5.495 -6.235 353 2HB ASP 47 HB1 ASP 47 -9.645 -7.132 -6.679 354 H ALA 48 HN ALA 48 -7.964 -9.175 -4.512 355 HA ALA 48 HA ALA 48 -10.430 -10.748 -4.367 356 1HB ALA 48 HB3 ALA 48 -7.760 -11.234 -5.135 357 2HB ALA 48 HB2 ALA 48 -8.050 -12.259 -3.732 358 3HB ALA 48 HB1 ALA 48 -9.094 -12.384 -5.146 359 H THR 49 HN THR 49 -8.290 -9.277 -2.148 360 HA THR 49 HA THR 49 -9.776 -10.532 0.090 361 HB THR 49 HB THR 49 -7.598 -10.982 1.312 362 HG1 THR 49 HG1 THR 49 -6.698 -9.402 -0.432 363 1HG2 THR 49 HG21 THR 49 -8.768 -12.704 -0.328 364 2HG2 THR 49 HG23 THR 49 -7.416 -12.319 -1.387 365 3HG2 THR 49 HG22 THR 49 -7.118 -13.016 0.203 366 H LYS 50 HN LYS 50 -9.055 -7.814 -1.350 367 HA LYS 50 HA LYS 50 -8.882 -5.572 -0.660 368 1HB LYS 50 HB2 LYS 50 -9.683 -6.571 2.077 369 2HB LYS 50 HB1 LYS 50 -9.996 -4.993 1.368 370 1HG LYS 50 HG2 LYS 50 -11.108 -6.779 -0.474 371 2HG LYS 50 HG1 LYS 50 -11.510 -7.485 1.087 372 1HD LYS 50 HD2 LYS 50 -13.294 -5.974 0.606 373 2HD LYS 50 HD1 LYS 50 -12.287 -5.128 1.774 374 1HE LYS 50 HE2 LYS 50 -12.283 -3.437 0.245 375 2HE LYS 50 HE1 LYS 50 -11.104 -4.421 -0.613 376 1HZ LYS 50 HZ1 LYS 50 -13.063 -5.512 -1.713 377 2HZ LYS 50 HZ3 LYS 50 -14.018 -4.261 -1.076 378 3HZ LYS 50 HZ2 LYS 50 -12.760 -3.902 -2.158 379 H THR 51 HN THR 51 -6.504 -6.447 -0.889 380 HA THR 51 HA THR 51 -5.061 -5.475 1.524 381 HB THR 51 HB THR 51 -4.903 -8.243 0.352 382 HG1 THR 51 HG1 THR 51 -5.653 -7.098 2.518 383 1HG2 THR 51 HG22 THR 51 -2.577 -6.607 1.363 384 2HG2 THR 51 HG21 THR 51 -2.661 -8.321 1.722 385 3HG2 THR 51 HG23 THR 51 -2.594 -7.770 0.051 386 H PHE 52 HN PHE 52 -3.758 -3.862 0.797 387 HA PHE 52 HA PHE 52 -3.087 -3.677 -2.035 388 1HB PHE 52 HB2 PHE 52 -3.057 -1.929 0.272 389 2HB PHE 52 HB1 PHE 52 -1.569 -1.797 -0.654 390 HD1 PHE 52 HD1 PHE 52 -1.651 -1.138 -3.069 391 HD2 PHE 52 HD2 PHE 52 -5.161 -1.272 -0.694 392 HE1 PHE 52 HE1 PHE 52 -2.881 0.130 -4.787 393 HE2 PHE 52 HE2 PHE 52 -6.343 0.094 -2.325 394 HZ PHE 52 HZ PHE 52 -5.193 0.844 -4.352 395 H THR 53 HN THR 53 -0.784 -3.333 -2.695 396 HA THR 53 HA THR 53 1.285 -4.411 -0.938 397 HB THR 53 HB THR 53 0.375 -5.996 -3.368 398 HG1 THR 53 HG1 THR 53 -0.089 -7.462 -1.731 399 1HG2 THR 53 HG22 THR 53 2.928 -5.898 -1.867 400 2HG2 THR 53 HG21 THR 53 2.203 -7.500 -1.945 401 3HG2 THR 53 HG23 THR 53 2.592 -6.637 -3.429 402 H VAL 54 HN VAL 54 3.231 -3.606 -1.488 403 HA VAL 54 HA VAL 54 3.574 -2.529 -4.258 404 HB VAL 54 HB VAL 54 2.997 -0.707 -2.586 405 1HG1 VAL 54 HG13 VAL 54 4.292 -1.862 -0.726 406 2HG1 VAL 54 HG12 VAL 54 5.764 -1.277 -1.496 407 3HG1 VAL 54 HG11 VAL 54 4.576 -0.134 -0.881 408 1HG2 VAL 54 HG21 VAL 54 5.703 -0.716 -3.951 409 2HG2 VAL 54 HG23 VAL 54 4.192 -0.069 -4.570 410 3HG2 VAL 54 HG22 VAL 54 4.998 0.724 -3.227 411 H THR 55 HN THR 55 5.752 -2.544 -4.980 412 HA THR 55 HA THR 55 7.721 -3.890 -3.200 413 HB THR 55 HB THR 55 7.190 -4.862 -6.036 414 HG1 THR 55 HG1 THR 55 5.976 -6.424 -4.989 415 1HG2 THR 55 HG21 THR 55 9.202 -5.437 -4.017 416 2HG2 THR 55 HG23 THR 55 8.181 -6.851 -4.266 417 3HG2 THR 55 HG22 THR 55 9.039 -6.133 -5.621 418 H GLU 56 HN GLU 56 9.460 -2.607 -3.202 419 HA GLU 56 HA GLU 56 9.976 -0.550 -5.097 420 1HB GLU 56 HB2 GLU 56 11.055 -1.307 -2.683 421 2HB GLU 56 HB1 GLU 56 12.366 -1.666 -3.798 422 1HG GLU 56 HG2 GLU 56 12.035 0.658 -4.771 423 2HG GLU 56 HG1 GLU 56 10.932 0.982 -3.436 Start of MODEL 21 Raw file had 423 H/Q atoms Entry Start of MODEL 21 1 1H MET 1 HT3 MET 1 -13.646 -1.301 5.065 2 2H MET 1 HT2 MET 1 -14.806 -0.074 4.882 3 3H MET 1 HT1 MET 1 -15.068 -1.601 4.186 4 HA MET 1 HA MET 1 -13.722 -1.220 2.438 5 1HB MET 1 HB2 MET 1 -15.400 0.817 2.902 6 2HB MET 1 HB1 MET 1 -13.882 1.701 3.014 7 1HG MET 1 HG2 MET 1 -14.668 1.742 0.721 8 2HG MET 1 HG1 MET 1 -13.198 0.810 0.828 9 1HE MET 1 HE3 MET 1 -16.854 1.022 0.069 10 2HE MET 1 HE2 MET 1 -15.814 1.120 -1.352 11 3HE MET 1 HE1 MET 1 -16.968 -0.205 -1.193 12 H THR 2 HN THR 2 -12.035 -1.820 4.494 13 HA THR 2 HA THR 2 -9.822 0.185 4.259 14 HB THR 2 HB THR 2 -9.760 -2.005 6.319 15 HG1 THR 2 HG1 THR 2 -11.869 -1.154 6.370 16 1HG2 THR 2 HG21 THR 2 -8.050 -0.004 5.931 17 2HG2 THR 2 HG23 THR 2 -9.297 0.941 6.736 18 3HG2 THR 2 HG22 THR 2 -8.547 -0.417 7.568 19 OH TYR 3 OH TYR 3 -11.657 0.292 -0.886 20 H TYR 3 HN TYR 3 -7.781 -0.499 3.624 21 HA TYR 3 HA TYR 3 -7.586 -3.340 2.673 22 1HB TYR 3 HB2 TYR 3 -6.114 -1.083 1.343 23 2HB TYR 3 HB1 TYR 3 -6.519 -2.663 0.693 24 HD1 TYR 3 HD1 TYR 3 -7.869 0.664 1.561 25 HD2 TYR 3 HD2 TYR 3 -8.716 -3.089 -0.247 26 HE1 TYR 3 HE1 TYR 3 -9.935 1.584 0.615 27 HE2 TYR 3 HE2 TYR 3 -10.780 -2.166 -1.197 28 HH TYR 3 HH TYR 3 -11.689 0.056 -1.816 29 H LYS 4 HN LYS 4 -5.555 -4.325 2.859 30 HA LYS 4 HA LYS 4 -3.785 -3.043 4.888 31 1HB LYS 4 HB2 LYS 4 -4.904 -5.456 5.032 32 2HB LYS 4 HB1 LYS 4 -3.516 -5.907 4.060 33 1HG LYS 4 HG2 LYS 4 -2.256 -4.416 5.943 34 2HG LYS 4 HG1 LYS 4 -3.618 -4.997 6.894 35 1HD LYS 4 HD2 LYS 4 -1.731 -6.759 5.287 36 2HD LYS 4 HD1 LYS 4 -1.678 -6.546 7.033 37 1HE LYS 4 HE2 LYS 4 -4.086 -7.352 7.108 38 2HE LYS 4 HE1 LYS 4 -3.930 -7.769 5.407 39 1HZ LYS 4 HZ3 LYS 4 -1.761 -8.778 6.959 40 2HZ LYS 4 HZ2 LYS 4 -3.259 -9.345 7.525 41 3HZ LYS 4 HZ1 LYS 4 -2.812 -9.597 5.906 42 H LEU 5 HN LEU 5 -1.931 -2.182 4.160 43 HA LEU 5 HA LEU 5 -0.961 -2.907 1.479 44 1HB LEU 5 HB2 LEU 5 -0.873 -0.560 1.998 45 2HB LEU 5 HB1 LEU 5 -0.095 -0.859 3.542 46 HG LEU 5 HG LEU 5 1.944 -1.718 2.251 47 1HD1 LEU 5 HD13 LEU 5 0.421 -0.518 -0.082 48 2HD1 LEU 5 HD12 LEU 5 2.082 -1.084 -0.133 49 3HD1 LEU 5 HD11 LEU 5 0.776 -2.231 0.120 50 1HD2 LEU 5 HD21 LEU 5 1.617 0.663 3.129 51 2HD2 LEU 5 HD23 LEU 5 2.794 0.462 1.837 52 3HD2 LEU 5 HD22 LEU 5 1.196 1.098 1.477 53 H ILE 6 HN ILE 6 1.095 -3.772 1.062 54 HA ILE 6 HA ILE 6 2.555 -4.932 3.349 55 HB ILE 6 HB ILE 6 1.758 -6.273 0.770 56 1HG1 ILE 6 HG12 ILE 6 1.556 -7.399 3.546 57 2HG1 ILE 6 HG11 ILE 6 0.372 -6.215 3.022 58 1HG2 ILE 6 HG23 ILE 6 4.077 -6.746 2.584 59 2HG2 ILE 6 HG22 ILE 6 3.192 -8.170 2.054 60 3HG2 ILE 6 HG21 ILE 6 3.911 -7.092 0.865 61 1HD1 ILE 6 HD2 ILE 6 -0.134 -7.627 1.034 62 2HD1 ILE 6 HD1 ILE 6 1.014 -8.829 1.608 63 3HD1 ILE 6 HD3 ILE 6 -0.439 -8.489 2.538 64 H LEU 7 HN LEU 7 4.352 -3.709 3.367 65 HA LEU 7 HA LEU 7 5.558 -2.717 0.903 66 1HB LEU 7 HB2 LEU 7 6.328 -2.553 3.806 67 2HB LEU 7 HB1 LEU 7 7.358 -1.914 2.533 68 HG LEU 7 HG LEU 7 4.539 -1.109 2.262 69 1HD1 LEU 7 HD12 LEU 7 6.159 -0.226 4.676 70 2HD1 LEU 7 HD11 LEU 7 4.660 0.528 4.141 71 3HD1 LEU 7 HD13 LEU 7 4.652 -1.135 4.718 72 1HD2 LEU 7 HD23 LEU 7 6.517 -0.189 1.001 73 2HD2 LEU 7 HD22 LEU 7 5.585 1.051 1.831 74 3HD2 LEU 7 HD21 LEU 7 7.109 0.492 2.513 75 H ASN 8 HN ASN 8 6.787 -3.916 -0.369 76 HA ASN 8 HA ASN 8 8.352 -6.146 0.852 77 1HB ASN 8 HB2 ASN 8 6.765 -5.861 -1.554 78 2HB ASN 8 HB1 ASN 8 8.394 -6.360 -1.964 79 1HD2 ASN 8 HD22 ASN 8 5.984 -9.161 -0.814 80 2HD2 ASN 8 HD21 ASN 8 5.606 -7.758 -1.680 81 H GLY 9 HN GLY 9 9.276 -3.500 1.099 82 1HA GLY 9 HA2 GLY 9 11.018 -2.544 -0.872 83 2HA GLY 9 HA1 GLY 9 11.311 -2.339 0.848 84 H LYS 10 HN LYS 10 13.121 -2.957 -1.460 85 HA LYS 10 HA LYS 10 14.014 -5.656 -1.344 86 1HB LYS 10 HB2 LYS 10 15.029 -3.107 -2.368 87 2HB LYS 10 HB1 LYS 10 16.310 -4.188 -1.835 88 1HG LYS 10 HG2 LYS 10 14.046 -5.115 -3.625 89 2HG LYS 10 HG1 LYS 10 15.548 -4.462 -4.270 90 1HD LYS 10 HD2 LYS 10 16.677 -6.379 -3.836 91 2HD LYS 10 HD1 LYS 10 16.027 -6.479 -2.204 92 1HE LYS 10 HE2 LYS 10 13.992 -7.508 -2.995 93 2HE LYS 10 HE1 LYS 10 14.422 -7.198 -4.671 94 1HZ LYS 10 HZ3 LYS 10 16.348 -8.728 -3.135 95 2HZ LYS 10 HZ2 LYS 10 14.868 -9.504 -3.441 96 3HZ LYS 10 HZ1 LYS 10 15.813 -8.938 -4.733 97 H THR 11 HN THR 11 15.178 -2.788 0.396 98 HA THR 11 HA THR 11 16.675 -4.576 2.244 99 HB THR 11 HB THR 11 17.468 -2.126 3.025 100 HG1 THR 11 HG1 THR 11 17.068 -0.678 1.455 101 1HG2 THR 11 HG23 THR 11 18.293 -3.827 0.699 102 2HG2 THR 11 HG22 THR 11 18.941 -2.192 0.767 103 3HG2 THR 11 HG21 THR 11 19.248 -3.316 2.087 104 H LEU 12 HN LEU 12 13.662 -3.367 2.054 105 HA LEU 12 HA LEU 12 13.385 -3.393 5.003 106 1HB LEU 12 HB2 LEU 12 13.785 -0.991 4.113 107 2HB LEU 12 HB1 LEU 12 12.152 -1.113 3.472 108 HG LEU 12 HG LEU 12 11.775 -2.039 6.022 109 1HD1 LEU 12 HD11 LEU 12 14.219 -1.433 6.462 110 2HD1 LEU 12 HD13 LEU 12 13.748 0.251 6.258 111 3HD1 LEU 12 HD12 LEU 12 13.054 -0.705 7.563 112 1HD2 LEU 12 HD22 LEU 12 11.669 0.775 4.902 113 2HD2 LEU 12 HD21 LEU 12 10.347 -0.382 5.032 114 3HD2 LEU 12 HD23 LEU 12 11.015 0.358 6.484 115 H LYS 13 HN LYS 13 11.248 -3.760 5.720 116 HA LYS 13 HA LYS 13 9.170 -4.234 3.671 117 1HB LYS 13 HB2 LYS 13 10.070 -6.389 5.598 118 2HB LYS 13 HB1 LYS 13 8.731 -6.518 4.467 119 1HG LYS 13 HG2 LYS 13 10.408 -6.031 2.609 120 2HG LYS 13 HG1 LYS 13 11.676 -6.234 3.813 121 1HD LYS 13 HD2 LYS 13 10.678 -8.505 4.344 122 2HD LYS 13 HD1 LYS 13 9.628 -8.295 2.948 123 1HE LYS 13 HE2 LYS 13 11.579 -8.073 1.476 124 2HE LYS 13 HE1 LYS 13 12.661 -8.186 2.860 125 1HZ LYS 13 HZ3 LYS 13 10.723 -10.320 2.219 126 2HZ LYS 13 HZ2 LYS 13 12.273 -10.278 1.527 127 3HZ LYS 13 HZ1 LYS 13 12.098 -10.405 3.211 128 H GLY 14 HN GLY 14 7.068 -4.162 4.515 129 1HA GLY 14 HA2 GLY 14 6.581 -4.085 7.379 130 2HA GLY 14 HA1 GLY 14 6.532 -2.479 6.658 131 H GLU 15 HN GLU 15 4.261 -2.626 7.458 132 HA GLU 15 HA GLU 15 2.462 -3.115 5.299 133 1HB GLU 15 HB2 GLU 15 1.161 -4.963 6.598 134 2HB GLU 15 HB1 GLU 15 2.571 -5.431 5.653 135 1HG GLU 15 HG2 GLU 15 3.850 -5.854 7.526 136 2HG GLU 15 HG1 GLU 15 3.075 -4.583 8.468 137 H THR 16 HN THR 16 0.775 -1.794 5.624 138 HA THR 16 HA THR 16 -0.189 -1.328 8.392 139 HB THR 16 HB THR 16 1.283 0.550 8.246 140 HG1 THR 16 HG1 THR 16 -0.457 1.655 8.730 141 1HG2 THR 16 HG22 THR 16 0.508 0.460 5.360 142 2HG2 THR 16 HG21 THR 16 0.784 2.051 6.054 143 3HG2 THR 16 HG23 THR 16 2.068 0.847 6.073 144 H THR 17 HN THR 17 -2.316 -0.390 8.471 145 HA THR 17 HA THR 17 -3.852 -0.854 5.940 146 HB THR 17 HB THR 17 -5.657 -1.689 7.256 147 HG1 THR 17 HG1 THR 17 -5.863 -1.011 9.360 148 1HG2 THR 17 HG23 THR 17 -3.189 -2.844 7.690 149 2HG2 THR 17 HG22 THR 17 -3.662 -2.409 9.328 150 3HG2 THR 17 HG21 THR 17 -4.691 -3.466 8.364 151 H THR 18 HN THR 18 -5.076 0.755 5.139 152 HA THR 18 HA THR 18 -5.530 3.174 6.845 153 HB THR 18 HB THR 18 -3.660 3.364 4.996 154 HG1 THR 18 HG1 THR 18 -5.844 5.167 4.904 155 1HG2 THR 18 HG23 THR 18 -5.496 2.435 3.273 156 2HG2 THR 18 HG22 THR 18 -6.016 4.115 3.291 157 3HG2 THR 18 HG21 THR 18 -4.379 3.706 2.790 158 H GLU 19 HN GLU 19 -7.445 4.329 6.417 159 HA GLU 19 HA GLU 19 -9.564 2.679 5.188 160 1HB GLU 19 HB2 GLU 19 -10.102 5.384 6.339 161 2HB GLU 19 HB1 GLU 19 -11.072 3.918 6.434 162 1HG GLU 19 HG2 GLU 19 -8.992 3.009 7.807 163 2HG GLU 19 HG1 GLU 19 -8.692 4.724 8.077 164 H ALA 20 HN ALA 20 -10.364 3.027 3.214 165 HA ALA 20 HA ALA 20 -10.072 5.724 1.987 166 1HB ALA 20 HB3 ALA 20 -8.576 3.379 1.245 167 2HB ALA 20 HB2 ALA 20 -9.630 3.850 -0.086 168 3HB ALA 20 HB1 ALA 20 -8.475 5.003 0.576 169 H VAL 21 HN VAL 21 -11.706 6.259 0.547 170 HA VAL 21 HA VAL 21 -14.124 4.611 0.732 171 HB VAL 21 HB VAL 21 -14.029 7.181 0.790 172 1HG1 VAL 21 HG13 VAL 21 -12.567 7.103 -1.381 173 2HG1 VAL 21 HG12 VAL 21 -14.106 6.927 -2.213 174 3HG1 VAL 21 HG11 VAL 21 -13.791 8.357 -1.236 175 1HG2 VAL 21 HG22 VAL 21 -15.896 5.425 -0.744 176 2HG2 VAL 21 HG21 VAL 21 -16.214 6.438 0.660 177 3HG2 VAL 21 HG23 VAL 21 -16.096 7.164 -0.940 178 H ASP 22 HN ASP 22 -11.696 5.400 -1.659 179 HA ASP 22 HA ASP 22 -12.894 3.342 -3.460 180 1HB ASP 22 HB2 ASP 22 -12.454 4.731 -5.411 181 2HB ASP 22 HB1 ASP 22 -13.457 5.639 -4.283 182 H ALA 23 HN ALA 23 -11.327 2.462 -5.009 183 HA ALA 23 HA ALA 23 -8.843 1.806 -3.705 184 1HB ALA 23 HB1 ALA 23 -10.184 1.130 -6.256 185 2HB ALA 23 HB3 ALA 23 -8.428 0.992 -6.258 186 3HB ALA 23 HB2 ALA 23 -9.382 0.077 -5.094 187 H ALA 24 HN ALA 24 -9.775 4.333 -5.858 188 HA ALA 24 HA ALA 24 -7.185 4.879 -6.994 189 1HB ALA 24 HB3 ALA 24 -9.726 5.868 -7.378 190 2HB ALA 24 HB2 ALA 24 -8.916 7.217 -6.587 191 3HB ALA 24 HB1 ALA 24 -8.263 6.552 -8.079 192 H THR 25 HN THR 25 -8.931 6.799 -4.545 193 HA THR 25 HA THR 25 -6.690 8.292 -3.704 194 HB THR 25 HB THR 25 -8.946 8.941 -2.972 195 HG1 THR 25 HG1 THR 25 -7.867 8.155 -0.567 196 1HG2 THR 25 HG21 THR 25 -9.542 6.360 -2.563 197 2HG2 THR 25 HG23 THR 25 -8.925 6.717 -0.955 198 3HG2 THR 25 HG22 THR 25 -10.296 7.616 -1.588 199 H ALA 26 HN ALA 26 -7.579 5.009 -3.005 200 HA ALA 26 HA ALA 26 -5.986 4.665 -0.635 201 1HB ALA 26 HB1 ALA 26 -7.712 3.027 -1.444 202 2HB ALA 26 HB3 ALA 26 -6.615 2.579 -2.746 203 3HB ALA 26 HB2 ALA 26 -6.163 2.276 -1.072 204 H GLU 27 HN GLU 27 -5.303 4.312 -4.082 205 HA GLU 27 HA GLU 27 -2.646 3.331 -3.867 206 1HB GLU 27 HB2 GLU 27 -4.029 5.029 -5.956 207 2HB GLU 27 HB1 GLU 27 -2.377 4.466 -6.147 208 1HG GLU 27 HG2 GLU 27 -3.245 2.108 -5.755 209 2HG GLU 27 HG1 GLU 27 -4.870 2.771 -5.863 210 H LYS 28 HN LYS 28 -3.997 6.539 -3.607 211 HA LYS 28 HA LYS 28 -1.377 7.856 -3.618 212 1HB LYS 28 HB2 LYS 28 -2.949 9.328 -4.440 213 2HB LYS 28 HB1 LYS 28 -4.230 8.692 -3.420 214 1HG LYS 28 HG2 LYS 28 -3.466 9.912 -1.514 215 2HG LYS 28 HG1 LYS 28 -1.908 10.260 -2.266 216 1HD LYS 28 HD2 LYS 28 -2.778 11.936 -3.603 217 2HD LYS 28 HD1 LYS 28 -4.367 11.184 -3.695 218 1HE LYS 28 HE2 LYS 28 -4.967 11.940 -1.515 219 2HE LYS 28 HE1 LYS 28 -3.303 12.343 -1.112 220 1HZ LYS 28 HZ1 LYS 28 -4.510 13.687 -3.407 221 2HZ LYS 28 HZ3 LYS 28 -5.019 14.161 -1.858 222 3HZ LYS 28 HZ2 LYS 28 -3.378 14.265 -2.282 223 H VAL 29 HN VAL 29 -3.937 7.405 -1.189 224 HA VAL 29 HA VAL 29 -2.663 8.532 1.022 225 HB VAL 29 HB VAL 29 -4.477 6.122 0.850 226 1HG1 VAL 29 HG11 VAL 29 -3.272 7.551 3.225 227 2HG1 VAL 29 HG13 VAL 29 -4.818 6.717 3.353 228 3HG1 VAL 29 HG12 VAL 29 -3.365 5.819 2.925 229 1HG2 VAL 29 HG23 VAL 29 -5.107 8.640 0.279 230 2HG2 VAL 29 HG22 VAL 29 -6.209 7.639 1.219 231 3HG2 VAL 29 HG21 VAL 29 -5.159 8.796 2.032 232 H PHE 30 HN PHE 30 -2.452 5.135 -0.039 233 HA PHE 30 HA PHE 30 -0.533 4.409 1.969 234 1HB PHE 30 HB2 PHE 30 -1.488 3.191 -0.590 235 2HB PHE 30 HB1 PHE 30 -0.005 2.569 0.122 236 HD1 PHE 30 HD1 PHE 30 -0.249 2.307 2.862 237 HD2 PHE 30 HD2 PHE 30 -3.425 2.041 0.031 238 HE1 PHE 30 HE1 PHE 30 -1.588 1.019 4.471 239 HE2 PHE 30 HE2 PHE 30 -4.732 0.736 1.642 240 HZ PHE 30 HZ PHE 30 -3.813 0.196 3.845 241 H LYS 31 HN LYS 31 -0.164 5.401 -1.420 242 HA LYS 31 HA LYS 31 2.632 5.121 -1.628 243 1HB LYS 31 HB2 LYS 31 1.170 5.717 -3.526 244 2HB LYS 31 HB1 LYS 31 0.916 7.313 -2.825 245 1HG LYS 31 HG2 LYS 31 3.336 7.782 -2.987 246 2HG LYS 31 HG1 LYS 31 3.616 6.171 -3.635 247 1HD LYS 31 HD2 LYS 31 3.462 7.370 -5.617 248 2HD LYS 31 HD1 LYS 31 1.768 6.951 -5.400 249 1HE LYS 31 HE2 LYS 31 1.990 9.351 -5.891 250 2HE LYS 31 HE1 LYS 31 1.388 9.120 -4.254 251 1HZ LYS 31 HZ2 LYS 31 4.279 9.341 -4.692 252 2HZ LYS 31 HZ1 LYS 31 3.330 10.749 -4.720 253 3HZ LYS 31 HZ3 LYS 31 3.356 9.770 -3.333 254 H GLN 32 HN GLN 32 0.724 7.679 -0.158 255 HA GLN 32 HA GLN 32 2.871 9.511 0.306 256 1HB GLN 32 HB2 GLN 32 0.523 10.174 0.571 257 2HB GLN 32 HB1 GLN 32 0.342 9.049 1.912 258 1HG GLN 32 HG2 GLN 32 2.596 10.980 2.129 259 2HG GLN 32 HG1 GLN 32 0.977 11.662 2.266 260 1HE2 GLN 32 HE22 GLN 32 0.380 10.281 5.456 261 2HE2 GLN 32 HE21 GLN 32 -0.221 11.215 4.172 262 OH TYR 33 OH TYR 33 4.984 2.456 8.237 263 H TYR 33 HN TYR 33 1.691 6.708 2.050 264 HA TYR 33 HA TYR 33 3.315 7.100 4.405 265 1HB TYR 33 HB2 TYR 33 1.351 5.625 4.443 266 2HB TYR 33 HB1 TYR 33 2.108 4.569 3.257 267 HD1 TYR 33 HD1 TYR 33 4.242 3.368 3.867 268 HD2 TYR 33 HD2 TYR 33 1.940 5.467 6.762 269 HE1 TYR 33 HE1 TYR 33 5.401 2.166 5.657 270 HE2 TYR 33 HE2 TYR 33 3.099 4.262 8.556 271 HH TYR 33 HH TYR 33 4.355 2.297 8.944 272 H ALA 34 HN ALA 34 3.641 4.781 1.735 273 HA ALA 34 HA ALA 34 6.163 3.748 2.330 274 1HB ALA 34 HB2 ALA 34 4.531 3.258 0.343 275 2HB ALA 34 HB1 ALA 34 5.488 4.466 -0.508 276 3HB ALA 34 HB3 ALA 34 6.258 3.009 0.112 277 H ASN 35 HN ASN 35 5.348 6.846 0.914 278 HA ASN 35 HA ASN 35 7.914 7.620 -0.020 279 1HB ASN 35 HB2 ASN 35 5.785 8.871 -0.433 280 2HB ASN 35 HB1 ASN 35 5.831 9.422 1.240 281 1HD2 ASN 35 HD22 ASN 35 8.482 10.972 -1.476 282 2HD2 ASN 35 HD21 ASN 35 7.629 9.552 -1.845 283 H ASP 36 HN ASP 36 6.505 7.695 3.196 284 HA ASP 36 HA ASP 36 8.655 9.219 4.397 285 1HB ASP 36 HB2 ASP 36 6.386 7.554 5.443 286 2HB ASP 36 HB1 ASP 36 7.653 8.091 6.542 287 H ASN 37 HN ASN 37 9.016 6.514 2.855 288 HA ASN 37 HA ASN 37 11.063 5.469 4.758 289 1HB ASN 37 HB2 ASN 37 8.925 3.897 3.324 290 2HB ASN 37 HB1 ASN 37 10.414 3.136 3.877 291 1HD2 ASN 37 HD22 ASN 37 7.864 4.670 6.728 292 2HD2 ASN 37 HD21 ASN 37 7.929 5.402 5.199 293 H GLY 38 HN GLY 38 9.947 5.931 1.485 294 1HA GLY 38 HA2 GLY 38 11.534 6.487 -0.286 295 2HA GLY 38 HA1 GLY 38 12.742 5.507 0.539 296 H VAL 39 HN VAL 39 9.741 4.009 0.575 297 HA VAL 39 HA VAL 39 10.655 2.075 -1.467 298 HB VAL 39 HB VAL 39 8.352 2.028 0.500 299 1HG1 VAL 39 HG12 VAL 39 9.113 0.248 -1.785 300 2HG1 VAL 39 HG11 VAL 39 8.541 -0.518 -0.306 301 3HG1 VAL 39 HG13 VAL 39 7.514 0.634 -1.156 302 1HG2 VAL 39 HG22 VAL 39 10.884 1.742 1.166 303 2HG2 VAL 39 HG21 VAL 39 9.699 0.596 1.787 304 3HG2 VAL 39 HG23 VAL 39 10.713 0.160 0.416 305 H ASP 40 HN ASP 40 10.204 2.803 -3.491 306 HA ASP 40 HA ASP 40 7.364 3.064 -4.220 307 1HB ASP 40 HB2 ASP 40 9.238 5.367 -4.105 308 2HB ASP 40 HB1 ASP 40 8.207 5.266 -5.530 309 H GLY 41 HN GLY 41 7.023 2.216 -6.189 310 1HA GLY 41 HA2 GLY 41 8.666 2.490 -8.469 311 2HA GLY 41 HA1 GLY 41 9.173 1.008 -7.661 312 H GLU 42 HN GLU 42 7.548 -0.645 -7.305 313 HA GLU 42 HA GLU 42 5.439 -0.596 -9.428 314 1HB GLU 42 HB2 GLU 42 6.793 -2.914 -8.051 315 2HB GLU 42 HB1 GLU 42 5.537 -3.069 -9.272 316 1HG GLU 42 HG2 GLU 42 6.957 -1.905 -10.912 317 2HG GLU 42 HG1 GLU 42 8.205 -1.672 -9.690 318 CH2 TRP 43 CH2 TRP 43 2.141 2.560 -2.053 319 H TRP 43 HN TRP 43 3.375 -0.618 -8.807 320 HA TRP 43 HA TRP 43 2.778 -1.264 -5.943 321 1HB TRP 43 HB2 TRP 43 1.734 0.847 -7.799 322 2HB TRP 43 HB1 TRP 43 0.768 0.316 -6.434 323 HD1 TRP 43 HD1 TRP 43 4.357 1.560 -7.171 324 HE1 TRP 43 HE1 TRP 43 5.084 2.880 -5.123 325 HE3 TRP 43 HE3 TRP 43 0.397 0.752 -4.277 326 HZ2 TRP 43 HZ2 TRP 43 4.056 3.435 -2.396 327 HZ3 TRP 43 HZ3 TRP 43 0.248 1.576 -1.984 328 HH2 TRP 43 HH2 TRP 43 2.071 2.924 -1.038 329 H THR 44 HN THR 44 1.218 -2.698 -5.511 330 HA THR 44 HA THR 44 -0.381 -3.757 -7.814 331 HB THR 44 HB THR 44 -0.293 -5.968 -6.403 332 HG1 THR 44 HG1 THR 44 0.602 -4.710 -4.620 333 1HG2 THR 44 HG21 THR 44 1.066 -5.536 -8.535 334 2HG2 THR 44 HG23 THR 44 2.349 -4.929 -7.494 335 3HG2 THR 44 HG22 THR 44 1.843 -6.611 -7.377 336 OH TYR 45 OH TYR 45 -8.841 -1.138 -3.084 337 H TYR 45 HN TYR 45 -2.365 -4.930 -7.076 338 HA TYR 45 HA TYR 45 -3.538 -3.828 -4.568 339 1HB TYR 45 HB2 TYR 45 -4.049 -2.429 -6.696 340 2HB TYR 45 HB1 TYR 45 -5.067 -3.787 -7.178 341 HD1 TYR 45 HD1 TYR 45 -6.592 -4.613 -4.876 342 HD2 TYR 45 HD2 TYR 45 -5.291 -0.687 -5.835 343 HE1 TYR 45 HE1 TYR 45 -8.345 -3.687 -3.459 344 HE2 TYR 45 HE2 TYR 45 -7.087 0.241 -4.463 345 HH TYR 45 HH TYR 45 -8.597 -0.240 -2.846 346 H ASP 46 HN ASP 46 -4.585 -5.397 -3.482 347 HA ASP 46 HA ASP 46 -5.353 -7.880 -4.977 348 1HB ASP 46 HB2 ASP 46 -3.562 -7.889 -3.055 349 2HB ASP 46 HB1 ASP 46 -4.966 -7.819 -2.000 350 H ASP 47 HN ASP 47 -7.414 -6.948 -5.514 351 HA ASP 47 HA ASP 47 -9.241 -6.070 -3.432 352 1HB ASP 47 HB2 ASP 47 -9.456 -5.306 -5.774 353 2HB ASP 47 HB1 ASP 47 -9.819 -6.956 -6.273 354 H ALA 48 HN ALA 48 -8.120 -9.080 -4.365 355 HA ALA 48 HA ALA 48 -10.520 -10.651 -4.023 356 1HB ALA 48 HB3 ALA 48 -8.354 -11.377 -5.163 357 2HB ALA 48 HB2 ALA 48 -7.692 -11.604 -3.547 358 3HB ALA 48 HB1 ALA 48 -9.078 -12.555 -4.072 359 H THR 49 HN THR 49 -8.263 -9.198 -1.847 360 HA THR 49 HA THR 49 -9.837 -10.275 0.431 361 HB THR 49 HB THR 49 -7.751 -10.884 1.667 362 HG1 THR 49 HG1 THR 49 -6.417 -10.536 -0.785 363 1HG2 THR 49 HG21 THR 49 -8.852 -12.541 -0.037 364 2HG2 THR 49 HG23 THR 49 -7.518 -12.097 -1.097 365 3HG2 THR 49 HG22 THR 49 -7.193 -12.864 0.455 366 H LYS 50 HN LYS 50 -9.097 -7.657 -1.072 367 HA LYS 50 HA LYS 50 -8.777 -5.410 -0.479 368 1HB LYS 50 HB2 LYS 50 -9.628 -6.371 2.265 369 2HB LYS 50 HB1 LYS 50 -9.732 -4.727 1.647 370 1HG LYS 50 HG2 LYS 50 -11.035 -6.342 -0.269 371 2HG LYS 50 HG1 LYS 50 -11.596 -6.918 1.298 372 1HD LYS 50 HD2 LYS 50 -12.106 -4.555 1.942 373 2HD LYS 50 HD1 LYS 50 -11.637 -4.039 0.326 374 1HE LYS 50 HE2 LYS 50 -14.040 -4.294 0.326 375 2HE LYS 50 HE1 LYS 50 -13.374 -5.640 -0.590 376 1HZ LYS 50 HZ1 LYS 50 -13.417 -6.582 1.943 377 2HZ LYS 50 HZ3 LYS 50 -14.834 -5.650 1.876 378 3HZ LYS 50 HZ2 LYS 50 -14.588 -6.899 0.754 379 H THR 51 HN THR 51 -6.446 -6.405 -0.726 380 HA THR 51 HA THR 51 -4.912 -5.457 1.650 381 HB THR 51 HB THR 51 -4.676 -8.164 0.295 382 HG1 THR 51 HG1 THR 51 -4.345 -8.303 2.810 383 1HG2 THR 51 HG23 THR 51 -2.626 -6.801 2.088 384 2HG2 THR 51 HG22 THR 51 -2.589 -8.489 1.605 385 3HG2 THR 51 HG21 THR 51 -2.353 -7.227 0.404 386 H PHE 52 HN PHE 52 -3.692 -3.789 0.894 387 HA PHE 52 HA PHE 52 -3.011 -3.601 -1.932 388 1HB PHE 52 HB2 PHE 52 -3.031 -1.858 0.356 389 2HB PHE 52 HB1 PHE 52 -1.491 -1.749 -0.483 390 HD1 PHE 52 HD1 PHE 52 -1.446 -1.154 -2.934 391 HD2 PHE 52 HD2 PHE 52 -5.034 -1.101 -0.687 392 HE1 PHE 52 HE1 PHE 52 -2.551 0.145 -4.709 393 HE2 PHE 52 HE2 PHE 52 -6.091 0.320 -2.365 394 HZ PHE 52 HZ PHE 52 -4.836 0.983 -4.362 395 H THR 53 HN THR 53 -0.708 -3.299 -2.608 396 HA THR 53 HA THR 53 1.355 -4.348 -0.822 397 HB THR 53 HB THR 53 0.470 -5.973 -3.237 398 HG1 THR 53 HG1 THR 53 0.368 -6.112 -0.418 399 1HG2 THR 53 HG21 THR 53 3.039 -5.777 -1.904 400 2HG2 THR 53 HG23 THR 53 2.301 -7.330 -1.525 401 3HG2 THR 53 HG22 THR 53 2.572 -6.871 -3.203 402 H VAL 54 HN VAL 54 3.373 -3.736 -1.464 403 HA VAL 54 HA VAL 54 3.720 -2.680 -4.223 404 HB VAL 54 HB VAL 54 3.047 -0.777 -2.708 405 1HG1 VAL 54 HG11 VAL 54 4.214 -1.827 -0.714 406 2HG1 VAL 54 HG13 VAL 54 5.729 -1.256 -1.399 407 3HG1 VAL 54 HG12 VAL 54 4.486 -0.105 -0.923 408 1HG2 VAL 54 HG21 VAL 54 5.845 -0.802 -3.874 409 2HG2 VAL 54 HG23 VAL 54 4.380 -0.193 -4.620 410 3HG2 VAL 54 HG22 VAL 54 5.086 0.652 -3.253 411 H THR 55 HN THR 55 5.906 -2.663 -4.884 412 HA THR 55 HA THR 55 7.897 -3.800 -2.985 413 HB THR 55 HB THR 55 7.297 -5.047 -5.704 414 HG1 THR 55 HG1 THR 55 7.157 -6.488 -3.385 415 1HG2 THR 55 HG21 THR 55 9.504 -5.302 -3.725 416 2HG2 THR 55 HG23 THR 55 8.769 -6.823 -4.222 417 3HG2 THR 55 HG22 THR 55 9.479 -5.754 -5.424 418 H GLU 56 HN GLU 56 9.685 -2.577 -3.130 419 HA GLU 56 HA GLU 56 10.069 -0.636 -5.218 420 1HB GLU 56 HB2 GLU 56 11.201 -1.151 -2.718 421 2HB GLU 56 HB1 GLU 56 12.530 -1.362 -3.849 422 1HG GLU 56 HG2 GLU 56 11.880 0.850 -4.892 423 2HG GLU 56 HG1 GLU 56 10.724 1.063 -3.581 Start of MODEL 22 Raw file had 423 H/Q atoms Entry Start of MODEL 22 1 1H MET 1 HT1 MET 1 -13.898 0.443 5.160 2 2H MET 1 HT3 MET 1 -15.182 -0.346 4.379 3 3H MET 1 HT2 MET 1 -13.903 -1.251 5.033 4 HA MET 1 HA MET 1 -13.521 -1.204 2.733 5 1HB MET 1 HB2 MET 1 -13.526 1.791 2.661 6 2HB MET 1 HB1 MET 1 -13.806 0.647 1.354 7 1HG MET 1 HG2 MET 1 -15.924 1.584 1.855 8 2HG MET 1 HG1 MET 1 -15.932 -0.028 2.518 9 1HE MET 1 HE2 MET 1 -15.107 3.513 3.105 10 2HE MET 1 HE1 MET 1 -15.697 3.937 4.711 11 3HE MET 1 HE3 MET 1 -14.174 3.066 4.533 12 H THR 2 HN THR 2 -11.921 -1.393 4.942 13 HA THR 2 HA THR 2 -9.612 0.423 4.416 14 HB THR 2 HB THR 2 -9.815 -1.545 6.717 15 HG1 THR 2 HG1 THR 2 -11.318 -0.261 7.476 16 1HG2 THR 2 HG22 THR 2 -7.700 -0.064 6.069 17 2HG2 THR 2 HG21 THR 2 -8.668 1.239 6.749 18 3HG2 THR 2 HG23 THR 2 -8.227 -0.142 7.747 19 OH TYR 3 OH TYR 3 -11.586 0.330 -0.925 20 H TYR 3 HN TYR 3 -7.859 -0.318 3.376 21 HA TYR 3 HA TYR 3 -7.707 -3.259 2.844 22 1HB TYR 3 HB2 TYR 3 -6.106 -1.181 1.378 23 2HB TYR 3 HB1 TYR 3 -6.601 -2.775 0.834 24 HD1 TYR 3 HD1 TYR 3 -7.947 0.579 1.757 25 HD2 TYR 3 HD2 TYR 3 -8.644 -3.055 -0.332 26 HE1 TYR 3 HE1 TYR 3 -9.968 1.542 0.755 27 HE2 TYR 3 HE2 TYR 3 -10.659 -2.093 -1.342 28 HH TYR 3 HH TYR 3 -11.315 1.000 -1.556 29 H LYS 4 HN LYS 4 -5.593 -4.252 2.862 30 HA LYS 4 HA LYS 4 -3.836 -3.052 4.964 31 1HB LYS 4 HB2 LYS 4 -5.011 -5.458 5.015 32 2HB LYS 4 HB1 LYS 4 -3.577 -5.897 4.101 33 1HG LYS 4 HG2 LYS 4 -2.288 -4.581 5.973 34 2HG LYS 4 HG1 LYS 4 -3.763 -4.793 6.902 35 1HD LYS 4 HD2 LYS 4 -2.341 -7.128 5.581 36 2HD LYS 4 HD1 LYS 4 -1.975 -6.604 7.217 37 1HE LYS 4 HE2 LYS 4 -3.617 -8.361 7.392 38 2HE LYS 4 HE1 LYS 4 -4.439 -6.851 7.760 39 1HZ LYS 4 HZ2 LYS 4 -4.474 -7.498 4.969 40 2HZ LYS 4 HZ1 LYS 4 -5.231 -8.676 5.929 41 3HZ LYS 4 HZ3 LYS 4 -5.750 -7.061 6.001 42 H LEU 5 HN LEU 5 -1.960 -2.219 4.253 43 HA LEU 5 HA LEU 5 -1.015 -2.916 1.551 44 1HB LEU 5 HB2 LEU 5 -0.919 -0.579 2.056 45 2HB LEU 5 HB1 LEU 5 -0.170 -0.867 3.616 46 HG LEU 5 HG LEU 5 1.900 -1.712 2.376 47 1HD1 LEU 5 HD12 LEU 5 0.429 -0.548 -0.009 48 2HD1 LEU 5 HD11 LEU 5 2.083 -1.136 -0.012 49 3HD1 LEU 5 HD13 LEU 5 0.756 -2.259 0.228 50 1HD2 LEU 5 HD21 LEU 5 1.509 0.687 3.207 51 2HD2 LEU 5 HD23 LEU 5 2.739 0.468 1.967 52 3HD2 LEU 5 HD22 LEU 5 1.151 1.080 1.529 53 H ILE 6 HN ILE 6 1.022 -3.803 1.113 54 HA ILE 6 HA ILE 6 2.509 -4.963 3.387 55 HB ILE 6 HB ILE 6 1.747 -6.298 0.790 56 1HG1 ILE 6 HG12 ILE 6 1.419 -7.408 3.564 57 2HG1 ILE 6 HG11 ILE 6 0.268 -6.219 2.975 58 1HG2 ILE 6 HG22 ILE 6 4.003 -6.762 2.670 59 2HG2 ILE 6 HG21 ILE 6 3.117 -8.196 2.170 60 3HG2 ILE 6 HG23 ILE 6 3.869 -7.162 0.961 61 1HD1 ILE 6 HD2 ILE 6 0.970 -8.813 1.557 62 2HD1 ILE 6 HD1 ILE 6 -0.494 -8.532 2.488 63 3HD1 ILE 6 HD3 ILE 6 -0.204 -7.626 1.008 64 H LEU 7 HN LEU 7 4.286 -3.696 3.383 65 HA LEU 7 HA LEU 7 5.461 -2.714 0.904 66 1HB LEU 7 HB2 LEU 7 6.279 -2.524 3.793 67 2HB LEU 7 HB1 LEU 7 7.245 -1.841 2.491 68 HG LEU 7 HG LEU 7 4.395 -1.154 2.292 69 1HD1 LEU 7 HD11 LEU 7 6.012 -0.185 4.674 70 2HD1 LEU 7 HD13 LEU 7 4.448 0.456 4.181 71 3HD1 LEU 7 HD12 LEU 7 4.579 -1.204 4.753 72 1HD2 LEU 7 HD23 LEU 7 6.212 -0.106 0.967 73 2HD2 LEU 7 HD22 LEU 7 5.372 1.091 1.948 74 3HD2 LEU 7 HD21 LEU 7 6.947 0.488 2.453 75 H ASN 8 HN ASN 8 6.670 -3.933 -0.372 76 HA ASN 8 HA ASN 8 8.321 -6.090 0.866 77 1HB ASN 8 HB2 ASN 8 6.699 -5.870 -1.547 78 2HB ASN 8 HB1 ASN 8 8.316 -6.437 -1.910 79 1HD2 ASN 8 HD22 ASN 8 5.767 -9.058 -0.570 80 2HD2 ASN 8 HD21 ASN 8 5.413 -7.656 -1.448 81 H GLY 9 HN GLY 9 9.194 -3.433 1.039 82 1HA GLY 9 HA2 GLY 9 10.857 -2.479 -1.010 83 2HA GLY 9 HA1 GLY 9 11.188 -2.221 0.697 84 H LYS 10 HN LYS 10 13.035 -2.775 -1.521 85 HA LYS 10 HA LYS 10 13.979 -5.457 -1.492 86 1HB LYS 10 HB2 LYS 10 14.687 -3.228 -2.855 87 2HB LYS 10 HB1 LYS 10 16.010 -3.305 -1.697 88 1HG LYS 10 HG2 LYS 10 16.393 -5.687 -2.338 89 2HG LYS 10 HG1 LYS 10 15.122 -5.542 -3.549 90 1HD LYS 10 HD2 LYS 10 16.381 -3.735 -4.667 91 2HD LYS 10 HD1 LYS 10 17.645 -3.852 -3.447 92 1HE LYS 10 HE2 LYS 10 17.394 -5.374 -5.838 93 2HE LYS 10 HE1 LYS 10 18.615 -5.541 -4.583 94 1HZ LYS 10 HZ1 LYS 10 15.950 -6.846 -4.574 95 2HZ LYS 10 HZ3 LYS 10 17.421 -7.604 -4.955 96 3HZ LYS 10 HZ2 LYS 10 17.148 -7.021 -3.383 97 H THR 11 HN THR 11 15.354 -2.666 0.234 98 HA THR 11 HA THR 11 16.634 -4.540 2.129 99 HB THR 11 HB THR 11 17.844 -2.446 2.879 100 HG1 THR 11 HG1 THR 11 17.382 -0.691 1.305 101 1HG2 THR 11 HG21 THR 11 18.385 -3.886 0.642 102 2HG2 THR 11 HG23 THR 11 17.985 -2.340 -0.098 103 3HG2 THR 11 HG22 THR 11 19.301 -2.443 1.067 104 H LEU 12 HN LEU 12 13.670 -3.409 1.958 105 HA LEU 12 HA LEU 12 13.398 -3.294 4.894 106 1HB LEU 12 HB2 LEU 12 13.865 -0.923 3.969 107 2HB LEU 12 HB1 LEU 12 12.233 -1.011 3.316 108 HG LEU 12 HG LEU 12 11.725 -1.855 5.827 109 1HD1 LEU 12 HD12 LEU 12 14.177 -1.592 6.401 110 2HD1 LEU 12 HD11 LEU 12 13.990 0.140 6.148 111 3HD1 LEU 12 HD13 LEU 12 13.097 -0.663 7.435 112 1HD2 LEU 12 HD22 LEU 12 12.044 1.026 4.916 113 2HD2 LEU 12 HD21 LEU 12 10.608 0.026 4.719 114 3HD2 LEU 12 HD23 LEU 12 11.121 0.523 6.329 115 H LYS 13 HN LYS 13 11.331 -3.759 5.625 116 HA LYS 13 HA LYS 13 9.204 -4.183 3.589 117 1HB LYS 13 HB2 LYS 13 10.082 -6.266 5.611 118 2HB LYS 13 HB1 LYS 13 8.682 -6.406 4.562 119 1HG LYS 13 HG2 LYS 13 10.193 -7.500 3.215 120 2HG LYS 13 HG1 LYS 13 10.551 -5.863 2.691 121 1HD LYS 13 HD2 LYS 13 12.692 -6.607 3.219 122 2HD LYS 13 HD1 LYS 13 12.219 -5.913 4.763 123 1HE LYS 13 HE2 LYS 13 11.319 -8.241 5.366 124 2HE LYS 13 HE1 LYS 13 12.180 -8.828 3.949 125 1HZ LYS 13 HZ2 LYS 13 14.015 -7.302 5.262 126 2HZ LYS 13 HZ1 LYS 13 13.192 -8.101 6.515 127 3HZ LYS 13 HZ3 LYS 13 13.927 -8.998 5.274 128 H GLY 14 HN GLY 14 7.061 -4.275 4.521 129 1HA GLY 14 HA2 GLY 14 6.611 -3.913 7.345 130 2HA GLY 14 HA1 GLY 14 6.566 -2.358 6.521 131 H GLU 15 HN GLU 15 4.294 -2.553 7.450 132 HA GLU 15 HA GLU 15 2.447 -3.079 5.325 133 1HB GLU 15 HB2 GLU 15 1.239 -4.983 6.239 134 2HB GLU 15 HB1 GLU 15 2.925 -5.439 6.034 135 1HG GLU 15 HG2 GLU 15 3.065 -4.465 8.543 136 2HG GLU 15 HG1 GLU 15 1.379 -4.980 8.543 137 H THR 16 HN THR 16 0.698 -1.831 5.671 138 HA THR 16 HA THR 16 -0.203 -1.306 8.439 139 HB THR 16 HB THR 16 1.421 0.521 8.099 140 HG1 THR 16 HG1 THR 16 -0.375 1.194 9.151 141 1HG2 THR 16 HG23 THR 16 0.579 0.405 5.409 142 2HG2 THR 16 HG22 THR 16 -0.094 1.907 6.027 143 3HG2 THR 16 HG21 THR 16 1.641 1.619 6.106 144 H THR 17 HN THR 17 -2.325 -0.326 8.521 145 HA THR 17 HA THR 17 -3.874 -0.832 6.005 146 HB THR 17 HB THR 17 -5.687 -1.605 7.346 147 HG1 THR 17 HG1 THR 17 -4.457 -0.629 9.672 148 1HG2 THR 17 HG23 THR 17 -3.215 -2.758 7.870 149 2HG2 THR 17 HG22 THR 17 -3.754 -2.288 9.477 150 3HG2 THR 17 HG21 THR 17 -4.743 -3.364 8.496 151 H THR 18 HN THR 18 -5.120 0.758 5.174 152 HA THR 18 HA THR 18 -5.471 3.257 6.789 153 HB THR 18 HB THR 18 -3.664 3.330 4.874 154 HG1 THR 18 HG1 THR 18 -5.894 5.033 5.298 155 1HG2 THR 18 HG22 THR 18 -5.585 2.366 3.254 156 2HG2 THR 18 HG21 THR 18 -6.053 4.063 3.208 157 3HG2 THR 18 HG23 THR 18 -4.445 3.577 2.678 158 H GLU 19 HN GLU 19 -7.346 4.476 6.323 159 HA GLU 19 HA GLU 19 -9.567 2.830 5.280 160 1HB GLU 19 HB2 GLU 19 -9.464 5.484 6.723 161 2HB GLU 19 HB1 GLU 19 -10.960 4.772 6.131 162 1HG GLU 19 HG2 GLU 19 -10.670 4.127 8.465 163 2HG GLU 19 HG1 GLU 19 -10.428 2.700 7.462 164 H ALA 20 HN ALA 20 -10.286 3.024 3.259 165 HA ALA 20 HA ALA 20 -10.052 5.655 1.884 166 1HB ALA 20 HB1 ALA 20 -8.503 3.297 1.280 167 2HB ALA 20 HB3 ALA 20 -9.547 3.692 -0.082 168 3HB ALA 20 HB2 ALA 20 -8.418 4.891 0.539 169 H VAL 21 HN VAL 21 -11.636 6.024 0.315 170 HA VAL 21 HA VAL 21 -13.982 4.226 0.534 171 HB VAL 21 HB VAL 21 -14.144 6.750 0.811 172 1HG1 VAL 21 HG13 VAL 21 -12.574 7.038 -1.257 173 2HG1 VAL 21 HG12 VAL 21 -14.041 6.813 -2.203 174 3HG1 VAL 21 HG11 VAL 21 -13.920 8.156 -1.070 175 1HG2 VAL 21 HG21 VAL 21 -15.771 5.301 -1.301 176 2HG2 VAL 21 HG23 VAL 21 -16.157 5.467 0.408 177 3HG2 VAL 21 HG22 VAL 21 -16.219 6.874 -0.648 178 H ASP 22 HN ASP 22 -11.729 5.490 -1.847 179 HA ASP 22 HA ASP 22 -12.819 3.523 -3.828 180 1HB ASP 22 HB2 ASP 22 -11.853 5.260 -5.530 181 2HB ASP 22 HB1 ASP 22 -13.418 5.577 -4.785 182 H ALA 23 HN ALA 23 -11.359 2.197 -4.748 183 HA ALA 23 HA ALA 23 -8.843 1.703 -3.667 184 1HB ALA 23 HB2 ALA 23 -10.168 1.075 -6.244 185 2HB ALA 23 HB1 ALA 23 -8.416 0.908 -6.221 186 3HB ALA 23 HB3 ALA 23 -9.402 -0.004 -5.083 187 H ALA 24 HN ALA 24 -9.761 4.287 -5.721 188 HA ALA 24 HA ALA 24 -7.148 4.850 -6.837 189 1HB ALA 24 HB1 ALA 24 -9.726 6.373 -6.585 190 2HB ALA 24 HB3 ALA 24 -8.266 7.204 -7.115 191 3HB ALA 24 HB2 ALA 24 -8.890 5.842 -8.042 192 H THR 25 HN THR 25 -9.020 6.617 -4.362 193 HA THR 25 HA THR 25 -6.869 8.237 -3.483 194 HB THR 25 HB THR 25 -9.370 8.476 -2.860 195 HG1 THR 25 HG1 THR 25 -8.651 9.573 -1.069 196 1HG2 THR 25 HG22 THR 25 -9.095 6.005 -1.711 197 2HG2 THR 25 HG21 THR 25 -8.671 7.039 -0.349 198 3HG2 THR 25 HG23 THR 25 -10.240 7.207 -1.127 199 H ALA 26 HN ALA 26 -7.491 4.892 -2.962 200 HA ALA 26 HA ALA 26 -5.966 4.610 -0.520 201 1HB ALA 26 HB1 ALA 26 -6.557 2.563 -2.681 202 2HB ALA 26 HB3 ALA 26 -5.946 2.200 -1.069 203 3HB ALA 26 HB2 ALA 26 -7.559 2.877 -1.268 204 H GLU 27 HN GLU 27 -5.205 4.337 -3.962 205 HA GLU 27 HA GLU 27 -2.524 3.450 -3.735 206 1HB GLU 27 HB2 GLU 27 -4.072 5.006 -5.764 207 2HB GLU 27 HB1 GLU 27 -2.321 4.999 -5.905 208 1HG GLU 27 HG2 GLU 27 -2.345 2.506 -5.855 209 2HG GLU 27 HG1 GLU 27 -4.104 2.547 -5.782 210 H LYS 28 HN LYS 28 -3.800 6.754 -3.913 211 HA LYS 28 HA LYS 28 -1.261 8.040 -3.545 212 1HB LYS 28 HB2 LYS 28 -3.956 9.168 -2.764 213 2HB LYS 28 HB1 LYS 28 -2.518 10.062 -3.243 214 1HG LYS 28 HG2 LYS 28 -2.646 9.057 -5.505 215 2HG LYS 28 HG1 LYS 28 -4.083 8.162 -5.027 216 1HD LYS 28 HD2 LYS 28 -4.992 10.547 -4.352 217 2HD LYS 28 HD1 LYS 28 -3.756 11.120 -5.467 218 1HE LYS 28 HE2 LYS 28 -5.919 10.788 -6.629 219 2HE LYS 28 HE1 LYS 28 -4.691 9.695 -7.253 220 1HZ LYS 28 HZ2 LYS 28 -6.554 8.892 -5.110 221 2HZ LYS 28 HZ1 LYS 28 -6.947 8.722 -6.751 222 3HZ LYS 28 HZ3 LYS 28 -5.607 7.899 -6.108 223 H VAL 29 HN VAL 29 -3.898 7.347 -1.259 224 HA VAL 29 HA VAL 29 -2.749 8.469 1.052 225 HB VAL 29 HB VAL 29 -4.494 6.019 0.724 226 1HG1 VAL 29 HG13 VAL 29 -3.461 7.420 3.200 227 2HG1 VAL 29 HG12 VAL 29 -4.960 6.498 3.221 228 3HG1 VAL 29 HG11 VAL 29 -3.440 5.697 2.838 229 1HG2 VAL 29 HG21 VAL 29 -5.159 8.553 0.214 230 2HG2 VAL 29 HG23 VAL 29 -6.283 7.472 1.033 231 3HG2 VAL 29 HG22 VAL 29 -5.324 8.617 1.966 232 H PHE 30 HN PHE 30 -2.486 5.086 -0.044 233 HA PHE 30 HA PHE 30 -0.560 4.378 1.965 234 1HB PHE 30 HB2 PHE 30 -1.531 3.135 -0.578 235 2HB PHE 30 HB1 PHE 30 -0.049 2.515 0.136 236 HD1 PHE 30 HD1 PHE 30 -0.303 2.295 2.894 237 HD2 PHE 30 HD2 PHE 30 -3.460 1.972 0.044 238 HE1 PHE 30 HE1 PHE 30 -1.645 1.021 4.509 239 HE2 PHE 30 HE2 PHE 30 -4.770 0.682 1.664 240 HZ PHE 30 HZ PHE 30 -3.863 0.177 3.882 241 H LYS 31 HN LYS 31 -0.236 5.434 -1.404 242 HA LYS 31 HA LYS 31 2.572 5.112 -1.646 243 1HB LYS 31 HB2 LYS 31 1.111 5.691 -3.550 244 2HB LYS 31 HB1 LYS 31 0.840 7.286 -2.849 245 1HG LYS 31 HG2 LYS 31 3.178 7.863 -3.072 246 2HG LYS 31 HG1 LYS 31 3.596 6.214 -3.525 247 1HD LYS 31 HD2 LYS 31 1.498 7.376 -5.222 248 2HD LYS 31 HD1 LYS 31 3.017 8.260 -5.302 249 1HE LYS 31 HE2 LYS 31 2.842 5.245 -5.573 250 2HE LYS 31 HE1 LYS 31 2.807 6.335 -6.953 251 1HZ LYS 31 HZ1 LYS 31 4.951 7.089 -5.349 252 2HZ LYS 31 HZ3 LYS 31 5.027 5.401 -5.518 253 3HZ LYS 31 HZ2 LYS 31 4.995 6.392 -6.898 254 H GLN 32 HN GLN 32 0.665 7.631 -0.132 255 HA GLN 32 HA GLN 32 2.827 9.482 0.288 256 1HB GLN 32 HB2 GLN 32 0.368 10.017 0.498 257 2HB GLN 32 HB1 GLN 32 0.363 9.127 2.016 258 1HG GLN 32 HG2 GLN 32 2.575 10.832 2.233 259 2HG GLN 32 HG1 GLN 32 1.340 11.825 1.462 260 1HE2 GLN 32 HE22 GLN 32 0.854 10.606 5.328 261 2HE2 GLN 32 HE21 GLN 32 2.125 9.992 4.385 262 OH TYR 33 OH TYR 33 4.889 2.395 8.181 263 H TYR 33 HN TYR 33 1.638 6.687 2.016 264 HA TYR 33 HA TYR 33 3.201 7.121 4.410 265 1HB TYR 33 HB2 TYR 33 1.255 5.649 4.463 266 2HB TYR 33 HB1 TYR 33 1.988 4.598 3.255 267 HD1 TYR 33 HD1 TYR 33 4.118 3.367 3.831 268 HD2 TYR 33 HD2 TYR 33 1.865 5.455 6.772 269 HE1 TYR 33 HE1 TYR 33 5.282 2.135 5.596 270 HE2 TYR 33 HE2 TYR 33 3.029 4.218 8.540 271 HH TYR 33 HH TYR 33 4.490 2.631 9.021 272 H ALA 34 HN ALA 34 3.592 4.846 1.709 273 HA ALA 34 HA ALA 34 6.080 3.770 2.372 274 1HB ALA 34 HB1 ALA 34 4.440 3.886 0.053 275 2HB ALA 34 HB3 ALA 34 6.075 4.310 -0.446 276 3HB ALA 34 HB2 ALA 34 5.775 2.783 0.374 277 H ASN 35 HN ASN 35 5.364 6.882 0.895 278 HA ASN 35 HA ASN 35 7.944 7.672 0.094 279 1HB ASN 35 HB2 ASN 35 5.940 9.021 -0.355 280 2HB ASN 35 HB1 ASN 35 5.786 9.382 1.362 281 1HD2 ASN 35 HD22 ASN 35 7.904 12.157 1.057 282 2HD2 ASN 35 HD21 ASN 35 6.555 11.436 1.794 283 H ASP 36 HN ASP 36 6.461 7.773 3.297 284 HA ASP 36 HA ASP 36 8.680 9.124 4.565 285 1HB ASP 36 HB2 ASP 36 6.209 7.741 5.446 286 2HB ASP 36 HB1 ASP 36 7.519 7.804 6.622 287 H ASN 37 HN ASN 37 8.836 6.376 2.999 288 HA ASN 37 HA ASN 37 10.801 5.176 4.906 289 1HB ASN 37 HB2 ASN 37 8.825 3.676 3.166 290 2HB ASN 37 HB1 ASN 37 10.088 2.929 4.141 291 1HD2 ASN 37 HD22 ASN 37 6.608 3.806 5.875 292 2HD2 ASN 37 HD21 ASN 37 6.843 3.727 4.196 293 H GLY 38 HN GLY 38 9.849 5.871 1.627 294 1HA GLY 38 HA2 GLY 38 11.489 6.395 -0.081 295 2HA GLY 38 HA1 GLY 38 12.660 5.399 0.777 296 H VAL 39 HN VAL 39 9.496 4.115 0.443 297 HA VAL 39 HA VAL 39 10.553 2.080 -1.441 298 HB VAL 39 HB VAL 39 8.044 2.178 0.251 299 1HG1 VAL 39 HG13 VAL 39 8.957 0.321 -1.923 300 2HG1 VAL 39 HG12 VAL 39 8.101 -0.355 -0.541 301 3HG1 VAL 39 HG11 VAL 39 7.328 0.870 -1.543 302 1HG2 VAL 39 HG21 VAL 39 10.206 1.768 1.433 303 2HG2 VAL 39 HG23 VAL 39 9.152 0.359 1.475 304 3HG2 VAL 39 HG22 VAL 39 10.511 0.408 0.357 305 H ASP 40 HN ASP 40 10.390 2.827 -3.501 306 HA ASP 40 HA ASP 40 7.650 3.414 -4.485 307 1HB ASP 40 HB2 ASP 40 10.012 5.168 -5.194 308 2HB ASP 40 HB1 ASP 40 8.326 5.420 -5.639 309 H GLY 41 HN GLY 41 7.279 2.154 -6.190 310 1HA GLY 41 HA2 GLY 41 9.053 1.940 -8.429 311 2HA GLY 41 HA1 GLY 41 9.220 0.504 -7.423 312 H GLU 42 HN GLU 42 7.627 -1.025 -7.437 313 HA GLU 42 HA GLU 42 5.458 -0.623 -9.449 314 1HB GLU 42 HB2 GLU 42 6.226 -3.243 -8.217 315 2HB GLU 42 HB1 GLU 42 5.454 -2.950 -9.769 316 1HG GLU 42 HG2 GLU 42 7.632 -3.335 -10.485 317 2HG GLU 42 HG1 GLU 42 7.708 -1.594 -10.229 318 CH2 TRP 43 CH2 TRP 43 2.119 2.551 -2.119 319 H TRP 43 HN TRP 43 3.368 -0.678 -8.856 320 HA TRP 43 HA TRP 43 2.754 -1.298 -5.990 321 1HB TRP 43 HB2 TRP 43 1.748 0.816 -7.863 322 2HB TRP 43 HB1 TRP 43 0.765 0.303 -6.502 323 HD1 TRP 43 HD1 TRP 43 4.368 1.509 -7.216 324 HE1 TRP 43 HE1 TRP 43 5.080 2.859 -5.180 325 HE3 TRP 43 HE3 TRP 43 0.391 0.727 -4.340 326 HZ2 TRP 43 HZ2 TRP 43 4.031 3.436 -2.459 327 HZ3 TRP 43 HZ3 TRP 43 0.228 1.567 -2.056 328 HH2 TRP 43 HH2 TRP 43 2.047 2.913 -1.105 329 H THR 44 HN THR 44 1.170 -2.735 -5.563 330 HA THR 44 HA THR 44 -0.461 -3.711 -7.885 331 HB THR 44 HB THR 44 0.012 -5.943 -7.362 332 HG1 THR 44 HG1 THR 44 -0.281 -6.454 -5.330 333 1HG2 THR 44 HG22 THR 44 2.256 -4.723 -7.660 334 2HG2 THR 44 HG21 THR 44 2.339 -4.642 -5.904 335 3HG2 THR 44 HG23 THR 44 2.333 -6.205 -6.713 336 OH TYR 45 OH TYR 45 -8.845 -1.324 -2.973 337 H TYR 45 HN TYR 45 -2.393 -4.990 -7.111 338 HA TYR 45 HA TYR 45 -3.540 -3.945 -4.564 339 1HB TYR 45 HB2 TYR 45 -4.115 -2.546 -6.684 340 2HB TYR 45 HB1 TYR 45 -5.123 -3.919 -7.141 341 HD1 TYR 45 HD1 TYR 45 -6.555 -4.766 -4.778 342 HD2 TYR 45 HD2 TYR 45 -5.375 -0.821 -5.815 343 HE1 TYR 45 HE1 TYR 45 -8.305 -3.866 -3.336 344 HE2 TYR 45 HE2 TYR 45 -7.155 0.080 -4.411 345 HH TYR 45 HH TYR 45 -8.527 -1.315 -2.067 346 H ASP 46 HN ASP 46 -4.510 -5.574 -3.479 347 HA ASP 46 HA ASP 46 -5.147 -8.087 -4.973 348 1HB ASP 46 HB2 ASP 46 -3.499 -8.053 -2.983 349 2HB ASP 46 HB1 ASP 46 -4.932 -7.848 -1.979 350 H ASP 47 HN ASP 47 -7.150 -6.744 -5.586 351 HA ASP 47 HA ASP 47 -9.158 -6.105 -3.678 352 1HB ASP 47 HB2 ASP 47 -9.193 -5.393 -6.066 353 2HB ASP 47 HB1 ASP 47 -9.574 -7.050 -6.525 354 H ALA 48 HN ALA 48 -7.848 -9.062 -4.272 355 HA ALA 48 HA ALA 48 -10.247 -10.706 -4.150 356 1HB ALA 48 HB1 ALA 48 -7.598 -11.156 -4.803 357 2HB ALA 48 HB3 ALA 48 -7.760 -11.962 -3.246 358 3HB ALA 48 HB2 ALA 48 -8.818 -12.406 -4.581 359 H THR 49 HN THR 49 -8.144 -9.187 -1.857 360 HA THR 49 HA THR 49 -9.873 -10.195 0.332 361 HB THR 49 HB THR 49 -7.789 -10.697 1.720 362 HG1 THR 49 HG1 THR 49 -6.821 -9.822 -0.740 363 1HG2 THR 49 HG22 THR 49 -9.061 -12.420 0.103 364 2HG2 THR 49 HG21 THR 49 -7.557 -12.305 -0.807 365 3HG2 THR 49 HG23 THR 49 -7.535 -12.865 0.863 366 H LYS 50 HN LYS 50 -9.123 -7.618 -1.146 367 HA LYS 50 HA LYS 50 -8.796 -5.362 -0.590 368 1HB LYS 50 HB2 LYS 50 -9.786 -6.352 2.099 369 2HB LYS 50 HB1 LYS 50 -9.723 -4.668 1.591 370 1HG LYS 50 HG2 LYS 50 -11.503 -4.894 0.138 371 2HG LYS 50 HG1 LYS 50 -11.136 -6.578 -0.219 372 1HD LYS 50 HD2 LYS 50 -13.213 -6.332 1.145 373 2HD LYS 50 HD1 LYS 50 -11.975 -7.264 1.977 374 1HE LYS 50 HE2 LYS 50 -11.507 -5.555 3.486 375 2HE LYS 50 HE1 LYS 50 -12.033 -4.293 2.379 376 1HZ LYS 50 HZ2 LYS 50 -14.328 -5.466 2.705 377 2HZ LYS 50 HZ1 LYS 50 -13.622 -5.984 4.160 378 3HZ LYS 50 HZ3 LYS 50 -13.761 -4.324 3.827 379 H THR 51 HN THR 51 -6.466 -6.402 -0.755 380 HA THR 51 HA THR 51 -4.977 -5.409 1.636 381 HB THR 51 HB THR 51 -4.764 -8.140 0.336 382 HG1 THR 51 HG1 THR 51 -5.998 -7.749 2.226 383 1HG2 THR 51 HG23 THR 51 -2.673 -6.754 2.061 384 2HG2 THR 51 HG22 THR 51 -2.677 -8.462 1.655 385 3HG2 THR 51 HG21 THR 51 -2.428 -7.263 0.395 386 H PHE 52 HN PHE 52 -3.706 -3.773 0.888 387 HA PHE 52 HA PHE 52 -2.999 -3.621 -1.940 388 1HB PHE 52 HB2 PHE 52 -2.999 -1.847 0.340 389 2HB PHE 52 HB1 PHE 52 -1.481 -1.742 -0.543 390 HD1 PHE 52 HD1 PHE 52 -1.499 -1.155 -2.991 391 HD2 PHE 52 HD2 PHE 52 -5.044 -1.138 -0.672 392 HE1 PHE 52 HE1 PHE 52 -2.665 0.107 -4.758 393 HE2 PHE 52 HE2 PHE 52 -6.155 0.244 -2.339 394 HZ PHE 52 HZ PHE 52 -4.960 0.900 -4.374 395 H THR 53 HN THR 53 -0.716 -3.416 -2.647 396 HA THR 53 HA THR 53 1.361 -4.361 -0.822 397 HB THR 53 HB THR 53 0.397 -6.151 -3.078 398 HG1 THR 53 HG1 THR 53 -0.549 -7.000 -1.392 399 1HG2 THR 53 HG22 THR 53 3.023 -5.882 -1.766 400 2HG2 THR 53 HG21 THR 53 2.315 -7.481 -1.562 401 3HG2 THR 53 HG23 THR 53 2.590 -6.840 -3.178 402 H VAL 54 HN VAL 54 3.244 -3.499 -1.393 403 HA VAL 54 HA VAL 54 3.641 -2.674 -4.244 404 HB VAL 54 HB VAL 54 3.042 -0.727 -2.759 405 1HG1 VAL 54 HG13 VAL 54 4.198 -1.782 -0.761 406 2HG1 VAL 54 HG12 VAL 54 5.722 -1.260 -1.467 407 3HG1 VAL 54 HG11 VAL 54 4.512 -0.071 -0.997 408 1HG2 VAL 54 HG22 VAL 54 5.831 -0.850 -3.941 409 2HG2 VAL 54 HG21 VAL 54 4.376 -0.231 -4.697 410 3HG2 VAL 54 HG23 VAL 54 5.103 0.635 -3.356 411 H THR 55 HN THR 55 5.815 -2.741 -4.935 412 HA THR 55 HA THR 55 7.807 -3.888 -3.050 413 HB THR 55 HB THR 55 7.111 -5.199 -5.714 414 HG1 THR 55 HG1 THR 55 5.581 -5.639 -4.159 415 1HG2 THR 55 HG22 THR 55 9.337 -5.472 -3.766 416 2HG2 THR 55 HG21 THR 55 8.519 -6.981 -4.162 417 3HG2 THR 55 HG23 THR 55 9.251 -6.015 -5.435 418 H GLU 56 HN GLU 56 9.472 -2.498 -3.227 419 HA GLU 56 HA GLU 56 9.917 -0.741 -5.421 420 1HB GLU 56 HB2 GLU 56 11.049 -1.134 -2.907 421 2HB GLU 56 HB1 GLU 56 12.372 -1.454 -4.020 422 1HG GLU 56 HG2 GLU 56 11.725 0.719 -5.211 423 2HG GLU 56 HG1 GLU 56 10.679 1.054 -3.832 Start of MODEL 23 Raw file had 423 H/Q atoms Entry Start of MODEL 23 1 1H MET 1 HT1 MET 1 -13.572 0.417 5.221 2 2H MET 1 HT3 MET 1 -14.473 1.267 4.060 3 3H MET 1 HT2 MET 1 -14.973 -0.277 4.560 4 HA MET 1 HA MET 1 -13.518 -1.352 3.253 5 1HB MET 1 HB2 MET 1 -13.320 1.324 1.861 6 2HB MET 1 HB1 MET 1 -13.252 -0.275 1.130 7 1HG MET 1 HG2 MET 1 -15.591 -0.644 2.081 8 2HG MET 1 HG1 MET 1 -15.619 1.062 2.440 9 1HE MET 1 HE3 MET 1 -17.587 1.800 1.361 10 2HE MET 1 HE2 MET 1 -18.167 1.306 -0.229 11 3HE MET 1 HE1 MET 1 -18.022 0.117 1.066 12 H THR 2 HN THR 2 -11.893 -1.339 5.067 13 HA THR 2 HA THR 2 -9.549 0.406 4.530 14 HB THR 2 HB THR 2 -9.756 -1.602 6.793 15 HG1 THR 2 HG1 THR 2 -10.542 1.085 6.981 16 1HG2 THR 2 HG23 THR 2 -7.654 -0.100 6.218 17 2HG2 THR 2 HG22 THR 2 -8.650 1.207 6.852 18 3HG2 THR 2 HG21 THR 2 -8.227 -0.157 7.883 19 OH TYR 3 OH TYR 3 -11.592 0.444 -0.856 20 H TYR 3 HN TYR 3 -7.895 -0.331 3.348 21 HA TYR 3 HA TYR 3 -7.727 -3.266 2.833 22 1HB TYR 3 HB2 TYR 3 -6.121 -1.187 1.375 23 2HB TYR 3 HB1 TYR 3 -6.640 -2.767 0.813 24 HD1 TYR 3 HD1 TYR 3 -7.867 0.627 1.707 25 HD2 TYR 3 HD2 TYR 3 -8.759 -3.032 -0.262 26 HE1 TYR 3 HE1 TYR 3 -9.878 1.639 0.738 27 HE2 TYR 3 HE2 TYR 3 -10.770 -2.022 -1.232 28 HH TYR 3 HH TYR 3 -12.305 -0.194 -0.792 29 H LYS 4 HN LYS 4 -5.618 -4.275 2.848 30 HA LYS 4 HA LYS 4 -3.850 -3.091 4.948 31 1HB LYS 4 HB2 LYS 4 -5.019 -5.507 4.974 32 2HB LYS 4 HB1 LYS 4 -3.579 -5.928 4.062 33 1HG LYS 4 HG2 LYS 4 -2.354 -4.560 5.981 34 2HG LYS 4 HG1 LYS 4 -3.805 -4.968 6.888 35 1HD LYS 4 HD2 LYS 4 -3.452 -7.378 6.201 36 2HD LYS 4 HD1 LYS 4 -1.897 -6.895 5.534 37 1HE LYS 4 HE2 LYS 4 -1.124 -6.151 7.709 38 2HE LYS 4 HE1 LYS 4 -2.720 -6.386 8.410 39 1HZ LYS 4 HZ1 LYS 4 -1.085 -8.564 7.240 40 2HZ LYS 4 HZ3 LYS 4 -1.133 -8.190 8.896 41 3HZ LYS 4 HZ2 LYS 4 -2.539 -8.725 8.105 42 H LEU 5 HN LEU 5 -1.914 -2.336 4.299 43 HA LEU 5 HA LEU 5 -1.002 -2.983 1.565 44 1HB LEU 5 HB2 LEU 5 -0.868 -0.649 2.159 45 2HB LEU 5 HB1 LEU 5 -0.057 -1.007 3.673 46 HG LEU 5 HG LEU 5 1.928 -1.863 2.309 47 1HD1 LEU 5 HD13 LEU 5 0.335 -0.609 0.051 48 2HD1 LEU 5 HD12 LEU 5 2.007 -1.134 -0.068 49 3HD1 LEU 5 HD11 LEU 5 0.735 -2.317 0.195 50 1HD2 LEU 5 HD22 LEU 5 1.693 0.483 3.260 51 2HD2 LEU 5 HD21 LEU 5 2.798 0.319 1.901 52 3HD2 LEU 5 HD23 LEU 5 1.193 0.982 1.651 53 H ILE 6 HN ILE 6 1.076 -3.826 1.129 54 HA ILE 6 HA ILE 6 2.504 -5.094 3.385 55 HB ILE 6 HB ILE 6 2.079 -6.397 0.686 56 1HG1 ILE 6 HG12 ILE 6 0.612 -6.720 3.320 57 2HG1 ILE 6 HG11 ILE 6 -0.080 -6.319 1.753 58 1HG2 ILE 6 HG23 ILE 6 4.109 -6.962 2.190 59 2HG2 ILE 6 HG22 ILE 6 2.933 -7.676 3.288 60 3HG2 ILE 6 HG21 ILE 6 3.109 -8.307 1.654 61 1HD1 ILE 6 HD2 ILE 6 0.884 -8.589 0.958 62 2HD1 ILE 6 HD1 ILE 6 1.070 -8.961 2.669 63 3HD1 ILE 6 HD3 ILE 6 -0.527 -8.637 2.007 64 H LEU 7 HN LEU 7 4.287 -3.835 3.438 65 HA LEU 7 HA LEU 7 5.485 -2.775 1.000 66 1HB LEU 7 HB2 LEU 7 6.236 -2.660 3.908 67 2HB LEU 7 HB1 LEU 7 7.263 -1.976 2.653 68 HG LEU 7 HG LEU 7 4.350 -1.284 2.621 69 1HD1 LEU 7 HD11 LEU 7 6.404 -0.180 4.563 70 2HD1 LEU 7 HD13 LEU 7 4.896 0.644 4.177 71 3HD1 LEU 7 HD12 LEU 7 4.862 -0.932 4.961 72 1HD2 LEU 7 HD22 LEU 7 6.330 -0.585 0.996 73 2HD2 LEU 7 HD21 LEU 7 5.097 0.589 1.445 74 3HD2 LEU 7 HD23 LEU 7 6.661 0.600 2.256 75 H ASN 8 HN ASN 8 6.623 -4.044 -0.309 76 HA ASN 8 HA ASN 8 8.337 -6.162 0.903 77 1HB ASN 8 HB2 ASN 8 6.673 -5.971 -1.486 78 2HB ASN 8 HB1 ASN 8 8.287 -6.527 -1.865 79 1HD2 ASN 8 HD22 ASN 8 5.808 -9.193 -0.547 80 2HD2 ASN 8 HD21 ASN 8 5.455 -7.822 -1.474 81 H GLY 9 HN GLY 9 9.135 -3.460 1.001 82 1HA GLY 9 HA2 GLY 9 10.796 -2.631 -1.142 83 2HA GLY 9 HA1 GLY 9 11.015 -2.132 0.528 84 H LYS 10 HN LYS 10 12.879 -3.040 -1.694 85 HA LYS 10 HA LYS 10 14.027 -5.552 -0.835 86 1HB LYS 10 HB2 LYS 10 14.930 -3.310 -2.624 87 2HB LYS 10 HB1 LYS 10 16.051 -4.591 -2.179 88 1HG LYS 10 HG2 LYS 10 14.459 -6.286 -3.024 89 2HG LYS 10 HG1 LYS 10 13.332 -5.007 -3.466 90 1HD LYS 10 HD2 LYS 10 15.421 -4.053 -4.785 91 2HD LYS 10 HD1 LYS 10 15.968 -5.724 -4.711 92 1HE LYS 10 HE2 LYS 10 13.492 -6.236 -5.508 93 2HE LYS 10 HE1 LYS 10 13.561 -4.577 -6.090 94 1HZ LYS 10 HZ3 LYS 10 15.918 -5.615 -6.913 95 2HZ LYS 10 HZ2 LYS 10 14.854 -6.926 -7.102 96 3HZ LYS 10 HZ1 LYS 10 14.525 -5.449 -7.872 97 H THR 11 HN THR 11 14.467 -2.203 -0.013 98 HA THR 11 HA THR 11 16.746 -2.878 1.765 99 HB THR 11 HB THR 11 16.537 -0.214 2.058 100 HG1 THR 11 HG1 THR 11 14.531 -0.392 0.818 101 1HG2 THR 11 HG22 THR 11 17.488 -1.614 -0.471 102 2HG2 THR 11 HG21 THR 11 17.849 0.065 -0.082 103 3HG2 THR 11 HG23 THR 11 18.481 -1.229 0.931 104 H LEU 12 HN LEU 12 13.421 -2.682 1.842 105 HA LEU 12 HA LEU 12 13.394 -2.791 4.768 106 1HB LEU 12 HB2 LEU 12 13.433 -0.295 4.047 107 2HB LEU 12 HB1 LEU 12 11.770 -0.571 3.543 108 HG LEU 12 HG LEU 12 11.663 -1.697 5.994 109 1HD1 LEU 12 HD12 LEU 12 14.112 -1.076 6.327 110 2HD1 LEU 12 HD11 LEU 12 13.603 0.610 6.326 111 3HD1 LEU 12 HD13 LEU 12 13.021 -0.485 7.576 112 1HD2 LEU 12 HD22 LEU 12 11.456 1.264 5.349 113 2HD2 LEU 12 HD21 LEU 12 10.171 0.072 5.181 114 3HD2 LEU 12 HD23 LEU 12 10.768 0.502 6.780 115 H LYS 13 HN LYS 13 11.353 -3.460 5.608 116 HA LYS 13 HA LYS 13 9.234 -4.096 3.628 117 1HB LYS 13 HB2 LYS 13 10.447 -6.171 5.473 118 2HB LYS 13 HB1 LYS 13 9.109 -6.432 4.361 119 1HG LYS 13 HG2 LYS 13 10.654 -5.720 2.482 120 2HG LYS 13 HG1 LYS 13 11.973 -5.730 3.647 121 1HD LYS 13 HD2 LYS 13 11.179 -8.149 4.195 122 2HD LYS 13 HD1 LYS 13 10.318 -8.053 2.663 123 1HE LYS 13 HE2 LYS 13 12.707 -7.130 1.841 124 2HE LYS 13 HE1 LYS 13 13.257 -8.121 3.186 125 1HZ LYS 13 HZ3 LYS 13 12.022 -9.989 2.234 126 2HZ LYS 13 HZ2 LYS 13 11.589 -9.023 0.907 127 3HZ LYS 13 HZ1 LYS 13 13.220 -9.408 1.181 128 H GLY 14 HN GLY 14 7.180 -4.158 4.515 129 1HA GLY 14 HA2 GLY 14 6.677 -4.373 7.349 130 2HA GLY 14 HA1 GLY 14 6.641 -2.686 6.846 131 H GLU 15 HN GLU 15 4.380 -2.750 7.494 132 HA GLU 15 HA GLU 15 2.597 -3.096 5.283 133 1HB GLU 15 HB2 GLU 15 1.204 -4.943 6.284 134 2HB GLU 15 HB1 GLU 15 2.780 -5.471 5.707 135 1HG GLU 15 HG2 GLU 15 3.033 -4.566 8.433 136 2HG GLU 15 HG1 GLU 15 1.724 -5.741 8.333 137 H THR 16 HN THR 16 0.653 -2.062 5.683 138 HA THR 16 HA THR 16 -0.194 -1.506 8.440 139 HB THR 16 HB THR 16 1.545 0.279 8.006 140 HG1 THR 16 HG1 THR 16 -1.228 0.746 8.283 141 1HG2 THR 16 HG21 THR 16 0.425 0.408 5.465 142 2HG2 THR 16 HG23 THR 16 -0.331 1.769 6.284 143 3HG2 THR 16 HG22 THR 16 1.423 1.668 6.179 144 H THR 17 HN THR 17 -2.308 -0.508 8.532 145 HA THR 17 HA THR 17 -3.839 -0.930 5.992 146 HB THR 17 HB THR 17 -5.694 -1.647 7.308 147 HG1 THR 17 HG1 THR 17 -4.304 -0.497 9.510 148 1HG2 THR 17 HG23 THR 17 -3.274 -2.895 7.816 149 2HG2 THR 17 HG22 THR 17 -3.782 -2.420 9.431 150 3HG2 THR 17 HG21 THR 17 -4.820 -3.448 8.448 151 H THR 18 HN THR 18 -5.178 0.634 5.224 152 HA THR 18 HA THR 18 -5.443 3.157 6.808 153 HB THR 18 HB THR 18 -3.664 3.197 4.858 154 HG1 THR 18 HG1 THR 18 -5.129 4.880 6.063 155 1HG2 THR 18 HG22 THR 18 -5.602 2.240 3.277 156 2HG2 THR 18 HG21 THR 18 -6.099 3.927 3.251 157 3HG2 THR 18 HG23 THR 18 -4.498 3.473 2.678 158 H GLU 19 HN GLU 19 -7.337 4.376 6.357 159 HA GLU 19 HA GLU 19 -9.539 2.705 5.283 160 1HB GLU 19 HB2 GLU 19 -10.016 3.665 7.422 161 2HB GLU 19 HB1 GLU 19 -9.481 5.257 6.899 162 1HG GLU 19 HG2 GLU 19 -11.680 3.950 5.342 163 2HG GLU 19 HG1 GLU 19 -12.076 4.611 6.927 164 H ALA 20 HN ALA 20 -10.110 2.939 3.227 165 HA ALA 20 HA ALA 20 -10.136 5.670 2.040 166 1HB ALA 20 HB3 ALA 20 -8.427 3.420 1.243 167 2HB ALA 20 HB2 ALA 20 -9.353 4.104 -0.089 168 3HB ALA 20 HB1 ALA 20 -8.280 5.132 0.856 169 H VAL 21 HN VAL 21 -11.845 6.030 0.681 170 HA VAL 21 HA VAL 21 -13.943 3.982 0.659 171 HB VAL 21 HB VAL 21 -14.414 6.420 1.010 172 1HG1 VAL 21 HG11 VAL 21 -12.722 7.135 -0.757 173 2HG1 VAL 21 HG13 VAL 21 -13.904 6.653 -1.970 174 3HG1 VAL 21 HG12 VAL 21 -14.280 7.950 -0.841 175 1HG2 VAL 21 HG23 VAL 21 -15.763 4.558 -0.776 176 2HG2 VAL 21 HG22 VAL 21 -16.460 5.682 0.386 177 3HG2 VAL 21 HG21 VAL 21 -16.083 6.225 -1.245 178 H ASP 22 HN ASP 22 -11.853 5.579 -1.716 179 HA ASP 22 HA ASP 22 -12.796 3.601 -3.762 180 1HB ASP 22 HB2 ASP 22 -11.821 5.260 -5.421 181 2HB ASP 22 HB1 ASP 22 -13.238 5.826 -4.540 182 H ALA 23 HN ALA 23 -11.003 3.193 -5.462 183 HA ALA 23 HA ALA 23 -8.696 2.147 -3.972 184 1HB ALA 23 HB1 ALA 23 -9.694 1.868 -6.797 185 2HB ALA 23 HB3 ALA 23 -8.084 1.313 -6.353 186 3HB ALA 23 HB2 ALA 23 -9.500 0.619 -5.572 187 H ALA 24 HN ALA 24 -9.249 4.402 -6.656 188 HA ALA 24 HA ALA 24 -6.624 5.098 -7.275 189 1HB ALA 24 HB1 ALA 24 -9.098 6.825 -7.120 190 2HB ALA 24 HB3 ALA 24 -7.569 7.412 -7.764 191 3HB ALA 24 HB2 ALA 24 -8.399 6.072 -8.550 192 H THR 25 HN THR 25 -8.642 6.513 -4.714 193 HA THR 25 HA THR 25 -6.550 8.227 -3.728 194 HB THR 25 HB THR 25 -9.025 8.543 -3.211 195 HG1 THR 25 HG1 THR 25 -7.886 9.695 -1.829 196 1HG2 THR 25 HG22 THR 25 -9.297 6.050 -2.516 197 2HG2 THR 25 HG21 THR 25 -8.481 6.514 -1.030 198 3HG2 THR 25 HG23 THR 25 -10.020 7.252 -1.458 199 H ALA 26 HN ALA 26 -7.568 4.926 -2.964 200 HA ALA 26 HA ALA 26 -5.933 4.589 -0.642 201 1HB ALA 26 HB1 ALA 26 -7.689 2.968 -1.343 202 2HB ALA 26 HB3 ALA 26 -6.679 2.495 -2.706 203 3HB ALA 26 HB2 ALA 26 -6.141 2.179 -1.060 204 H GLU 27 HN GLU 27 -5.234 4.376 -4.079 205 HA GLU 27 HA GLU 27 -2.630 3.205 -3.858 206 1HB GLU 27 HB2 GLU 27 -3.851 5.018 -5.950 207 2HB GLU 27 HB1 GLU 27 -2.292 4.230 -6.132 208 1HG GLU 27 HG2 GLU 27 -3.388 2.020 -5.817 209 2HG GLU 27 HG1 GLU 27 -4.947 2.830 -5.701 210 H LYS 28 HN LYS 28 -3.782 6.533 -3.798 211 HA LYS 28 HA LYS 28 -1.081 7.646 -3.696 212 1HB LYS 28 HB2 LYS 28 -2.285 9.376 -4.510 213 2HB LYS 28 HB1 LYS 28 -3.795 8.628 -4.027 214 1HG LYS 28 HG2 LYS 28 -3.580 9.552 -1.763 215 2HG LYS 28 HG1 LYS 28 -1.990 10.212 -2.156 216 1HD LYS 28 HD2 LYS 28 -2.929 11.742 -3.745 217 2HD LYS 28 HD1 LYS 28 -4.489 10.931 -3.707 218 1HE LYS 28 HE2 LYS 28 -5.142 12.056 -1.849 219 2HE LYS 28 HE1 LYS 28 -3.599 11.782 -1.047 220 1HZ LYS 28 HZ2 LYS 28 -4.110 13.843 -3.119 221 2HZ LYS 28 HZ1 LYS 28 -4.012 14.128 -1.447 222 3HZ LYS 28 HZ3 LYS 28 -2.644 13.592 -2.298 223 H VAL 29 HN VAL 29 -3.720 7.175 -1.378 224 HA VAL 29 HA VAL 29 -2.551 8.416 0.867 225 HB VAL 29 HB VAL 29 -4.346 5.985 0.697 226 1HG1 VAL 29 HG11 VAL 29 -3.323 7.579 3.056 227 2HG1 VAL 29 HG13 VAL 29 -4.841 6.689 3.135 228 3HG1 VAL 29 HG12 VAL 29 -3.331 5.831 2.846 229 1HG2 VAL 29 HG22 VAL 29 -5.029 8.392 -0.093 230 2HG2 VAL 29 HG21 VAL 29 -6.123 7.505 0.965 231 3HG2 VAL 29 HG23 VAL 29 -5.078 8.757 1.630 232 H PHE 30 HN PHE 30 -2.392 4.968 -0.016 233 HA PHE 30 HA PHE 30 -0.529 4.282 2.029 234 1HB PHE 30 HB2 PHE 30 -1.417 3.027 -0.537 235 2HB PHE 30 HB1 PHE 30 0.037 2.400 0.224 236 HD1 PHE 30 HD1 PHE 30 -0.296 2.201 2.973 237 HD2 PHE 30 HD2 PHE 30 -3.378 1.896 0.041 238 HE1 PHE 30 HE1 PHE 30 -1.700 0.960 4.563 239 HE2 PHE 30 HE2 PHE 30 -4.748 0.640 1.635 240 HZ PHE 30 HZ PHE 30 -3.910 0.142 3.883 241 H LYS 31 HN LYS 31 -0.043 5.274 -1.342 242 HA LYS 31 HA LYS 31 2.775 4.970 -1.425 243 1HB LYS 31 HB2 LYS 31 1.260 5.554 -3.369 244 2HB LYS 31 HB1 LYS 31 1.231 7.206 -2.759 245 1HG LYS 31 HG2 LYS 31 3.904 6.785 -2.750 246 2HG LYS 31 HG1 LYS 31 3.453 5.695 -4.055 247 1HD LYS 31 HD2 LYS 31 2.113 7.636 -5.040 248 2HD LYS 31 HD1 LYS 31 2.913 8.670 -3.860 249 1HE LYS 31 HE2 LYS 31 5.105 8.064 -4.748 250 2HE LYS 31 HE1 LYS 31 4.376 6.900 -5.846 251 1HZ LYS 31 HZ1 LYS 31 3.094 9.305 -6.297 252 2HZ LYS 31 HZ3 LYS 31 4.748 9.674 -6.193 253 3HZ LYS 31 HZ2 LYS 31 4.205 8.518 -7.314 254 H GLN 32 HN GLN 32 0.763 7.457 -0.017 255 HA GLN 32 HA GLN 32 2.819 9.392 0.457 256 1HB GLN 32 HB2 GLN 32 0.303 9.725 0.711 257 2HB GLN 32 HB1 GLN 32 0.435 8.884 2.251 258 1HG GLN 32 HG2 GLN 32 2.484 10.703 2.452 259 2HG GLN 32 HG1 GLN 32 1.296 11.615 1.525 260 1HE2 GLN 32 HE22 GLN 32 0.490 10.580 5.404 261 2HE2 GLN 32 HE21 GLN 32 1.791 9.861 4.586 262 OH TYR 33 OH TYR 33 5.106 2.474 8.469 263 H TYR 33 HN TYR 33 1.755 6.530 2.175 264 HA TYR 33 HA TYR 33 3.352 6.962 4.541 265 1HB TYR 33 HB2 TYR 33 1.437 5.398 4.510 266 2HB TYR 33 HB1 TYR 33 2.299 4.377 3.362 267 HD1 TYR 33 HD1 TYR 33 4.444 3.270 4.063 268 HD2 TYR 33 HD2 TYR 33 1.984 5.329 6.855 269 HE1 TYR 33 HE1 TYR 33 5.604 2.152 5.908 270 HE2 TYR 33 HE2 TYR 33 3.145 4.209 8.703 271 HH TYR 33 HH TYR 33 5.152 3.088 9.206 272 H ALA 34 HN ALA 34 3.776 4.599 1.922 273 HA ALA 34 HA ALA 34 6.341 3.709 2.482 274 1HB ALA 34 HB3 ALA 34 4.663 3.861 0.122 275 2HB ALA 34 HB2 ALA 34 6.359 4.076 -0.300 276 3HB ALA 34 HB1 ALA 34 5.843 2.632 0.566 277 H ASN 35 HN ASN 35 5.392 6.789 1.124 278 HA ASN 35 HA ASN 35 7.906 7.692 0.178 279 1HB ASN 35 HB2 ASN 35 5.640 8.839 -0.066 280 2HB ASN 35 HB1 ASN 35 5.878 9.451 1.568 281 1HD2 ASN 35 HD22 ASN 35 7.682 12.162 0.258 282 2HD2 ASN 35 HD21 ASN 35 6.457 11.613 1.296 283 H ASP 36 HN ASP 36 6.502 7.781 3.417 284 HA ASP 36 HA ASP 36 8.736 9.215 4.589 285 1HB ASP 36 HB2 ASP 36 6.364 7.718 5.668 286 2HB ASP 36 HB1 ASP 36 7.657 8.216 6.757 287 H ASN 37 HN ASN 37 9.000 6.515 3.085 288 HA ASN 37 HA ASN 37 10.925 5.351 5.042 289 1HB ASN 37 HB2 ASN 37 8.938 3.754 3.402 290 2HB ASN 37 HB1 ASN 37 10.188 3.075 4.440 291 1HD2 ASN 37 HD22 ASN 37 6.740 4.480 6.066 292 2HD2 ASN 37 HD21 ASN 37 7.029 4.577 4.397 293 H GLY 38 HN GLY 38 9.878 5.792 1.733 294 1HA GLY 38 HA2 GLY 38 11.453 6.218 -0.061 295 2HA GLY 38 HA1 GLY 38 12.684 5.351 0.855 296 H VAL 39 HN VAL 39 9.392 4.583 -0.268 297 HA VAL 39 HA VAL 39 10.515 2.229 -1.720 298 HB VAL 39 HB VAL 39 8.096 2.158 0.107 299 1HG1 VAL 39 HG13 VAL 39 9.482 0.041 -1.577 300 2HG1 VAL 39 HG12 VAL 39 8.236 -0.306 -0.382 301 3HG1 VAL 39 HG11 VAL 39 7.847 0.654 -1.806 302 1HG2 VAL 39 HG22 VAL 39 10.949 1.178 0.380 303 2HG2 VAL 39 HG21 VAL 39 10.036 2.185 1.498 304 3HG2 VAL 39 HG23 VAL 39 9.636 0.479 1.323 305 H ASP 40 HN ASP 40 10.142 3.202 -3.711 306 HA ASP 40 HA ASP 40 7.277 3.330 -4.500 307 1HB ASP 40 HB2 ASP 40 9.280 5.556 -4.654 308 2HB ASP 40 HB1 ASP 40 8.045 5.428 -5.903 309 H GLY 41 HN GLY 41 7.100 1.907 -6.111 310 1HA GLY 41 HA2 GLY 41 8.736 2.140 -8.499 311 2HA GLY 41 HA1 GLY 41 9.129 0.692 -7.574 312 H GLU 42 HN GLU 42 7.501 -0.906 -7.279 313 HA GLU 42 HA GLU 42 5.384 -0.822 -9.391 314 1HB GLU 42 HB2 GLU 42 6.474 -3.225 -7.928 315 2HB GLU 42 HB1 GLU 42 5.451 -3.235 -9.358 316 1HG GLU 42 HG2 GLU 42 7.464 -1.694 -10.288 317 2HG GLU 42 HG1 GLU 42 8.368 -2.652 -9.117 318 CH2 TRP 43 CH2 TRP 43 2.078 2.432 -2.080 319 H TRP 43 HN TRP 43 3.294 -0.869 -8.805 320 HA TRP 43 HA TRP 43 2.662 -1.411 -5.924 321 1HB TRP 43 HB2 TRP 43 1.682 0.694 -7.825 322 2HB TRP 43 HB1 TRP 43 0.689 0.201 -6.464 323 HD1 TRP 43 HD1 TRP 43 4.299 1.384 -7.185 324 HE1 TRP 43 HE1 TRP 43 5.047 2.682 -5.132 325 HE3 TRP 43 HE3 TRP 43 0.307 0.661 -4.311 326 HZ2 TRP 43 HZ2 TRP 43 4.016 3.260 -2.413 327 HZ3 TRP 43 HZ3 TRP 43 0.163 1.498 -2.023 328 HH2 TRP 43 HH2 TRP 43 2.011 2.797 -1.067 329 H THR 44 HN THR 44 1.180 -2.918 -5.522 330 HA THR 44 HA THR 44 -0.477 -3.920 -7.809 331 HB THR 44 HB THR 44 -0.413 -6.137 -6.401 332 HG1 THR 44 HG1 THR 44 1.271 -6.139 -4.954 333 1HG2 THR 44 HG23 THR 44 2.006 -4.955 -7.809 334 2HG2 THR 44 HG22 THR 44 1.981 -6.611 -7.210 335 3HG2 THR 44 HG21 THR 44 0.854 -6.112 -8.468 336 OH TYR 45 OH TYR 45 -8.922 -1.235 -3.087 337 H TYR 45 HN TYR 45 -2.466 -5.075 -7.069 338 HA TYR 45 HA TYR 45 -3.623 -3.973 -4.554 339 1HB TYR 45 HB2 TYR 45 -4.118 -2.551 -6.671 340 2HB TYR 45 HB1 TYR 45 -5.147 -3.894 -7.171 341 HD1 TYR 45 HD1 TYR 45 -6.670 -4.723 -4.852 342 HD2 TYR 45 HD2 TYR 45 -5.367 -0.802 -5.837 343 HE1 TYR 45 HE1 TYR 45 -8.427 -3.788 -3.447 344 HE2 TYR 45 HE2 TYR 45 -7.164 0.135 -4.472 345 HH TYR 45 HH TYR 45 -9.593 -1.911 -2.972 346 H ASP 46 HN ASP 46 -4.661 -5.555 -3.477 347 HA ASP 46 HA ASP 46 -5.415 -8.035 -4.977 348 1HB ASP 46 HB2 ASP 46 -3.696 -8.079 -3.028 349 2HB ASP 46 HB1 ASP 46 -5.102 -7.877 -1.986 350 H ASP 47 HN ASP 47 -7.385 -6.709 -5.543 351 HA ASP 47 HA ASP 47 -9.298 -5.963 -3.548 352 1HB ASP 47 HB2 ASP 47 -9.241 -5.334 -6.050 353 2HB ASP 47 HB1 ASP 47 -10.036 -6.883 -6.325 354 H ALA 48 HN ALA 48 -8.230 -8.999 -4.511 355 HA ALA 48 HA ALA 48 -10.699 -10.484 -4.238 356 1HB ALA 48 HB3 ALA 48 -8.113 -11.070 -5.062 357 2HB ALA 48 HB2 ALA 48 -8.276 -11.968 -3.556 358 3HB ALA 48 HB1 ALA 48 -9.418 -12.236 -4.870 359 H THR 49 HN THR 49 -8.487 -9.093 -2.019 360 HA THR 49 HA THR 49 -10.070 -10.207 0.224 361 HB THR 49 HB THR 49 -7.945 -10.794 1.473 362 HG1 THR 49 HG1 THR 49 -6.121 -10.288 0.491 363 1HG2 THR 49 HG23 THR 49 -9.205 -12.459 -0.153 364 2HG2 THR 49 HG22 THR 49 -7.827 -12.173 -1.211 365 3HG2 THR 49 HG21 THR 49 -7.580 -12.868 0.387 366 H LYS 50 HN LYS 50 -9.272 -7.570 -1.229 367 HA LYS 50 HA LYS 50 -8.920 -5.339 -0.593 368 1HB LYS 50 HB2 LYS 50 -9.890 -6.369 2.080 369 2HB LYS 50 HB1 LYS 50 -9.879 -4.691 1.564 370 1HG LYS 50 HG2 LYS 50 -11.859 -4.956 0.505 371 2HG LYS 50 HG1 LYS 50 -11.185 -6.254 -0.468 372 1HD LYS 50 HD2 LYS 50 -13.012 -7.259 0.680 373 2HD LYS 50 HD1 LYS 50 -11.599 -7.789 1.575 374 1HE LYS 50 HE2 LYS 50 -13.227 -5.338 2.337 375 2HE LYS 50 HE1 LYS 50 -13.525 -6.936 3.004 376 1HZ LYS 50 HZ3 LYS 50 -11.062 -6.885 3.604 377 2HZ LYS 50 HZ2 LYS 50 -11.167 -5.210 3.348 378 3HZ LYS 50 HZ1 LYS 50 -12.134 -5.949 4.532 379 H THR 51 HN THR 51 -6.600 -6.364 -0.801 380 HA THR 51 HA THR 51 -5.105 -5.449 1.608 381 HB THR 51 HB THR 51 -4.997 -8.192 0.353 382 HG1 THR 51 HG1 THR 51 -5.905 -7.178 2.485 383 1HG2 THR 51 HG22 THR 51 -2.716 -6.657 1.611 384 2HG2 THR 51 HG21 THR 51 -2.841 -8.397 1.803 385 3HG2 THR 51 HG23 THR 51 -2.664 -7.697 0.197 386 H PHE 52 HN PHE 52 -3.799 -3.836 0.877 387 HA PHE 52 HA PHE 52 -3.079 -3.675 -1.945 388 1HB PHE 52 HB2 PHE 52 -3.088 -1.916 0.345 389 2HB PHE 52 HB1 PHE 52 -1.557 -1.821 -0.514 390 HD1 PHE 52 HD1 PHE 52 -1.530 -1.205 -2.951 391 HD2 PHE 52 HD2 PHE 52 -5.118 -1.181 -0.697 392 HE1 PHE 52 HE1 PHE 52 -2.653 0.089 -4.722 393 HE2 PHE 52 HE2 PHE 52 -6.187 0.230 -2.371 394 HZ PHE 52 HZ PHE 52 -4.945 0.900 -4.375 395 H THR 53 HN THR 53 -0.805 -3.484 -2.632 396 HA THR 53 HA THR 53 1.246 -4.503 -0.804 397 HB THR 53 HB THR 53 0.420 -6.138 -3.235 398 HG1 THR 53 HG1 THR 53 -0.863 -6.203 -1.267 399 1HG2 THR 53 HG22 THR 53 2.905 -5.979 -1.756 400 2HG2 THR 53 HG21 THR 53 2.113 -7.509 -1.395 401 3HG2 THR 53 HG23 THR 53 2.493 -7.086 -3.062 402 H VAL 54 HN VAL 54 3.240 -3.816 -1.400 403 HA VAL 54 HA VAL 54 3.610 -2.793 -4.175 404 HB VAL 54 HB VAL 54 2.956 -0.902 -2.639 405 1HG1 VAL 54 HG11 VAL 54 4.118 -1.958 -0.654 406 2HG1 VAL 54 HG13 VAL 54 5.644 -1.425 -1.351 407 3HG1 VAL 54 HG12 VAL 54 4.431 -0.243 -0.870 408 1HG2 VAL 54 HG22 VAL 54 5.731 -0.950 -3.853 409 2HG2 VAL 54 HG21 VAL 54 4.260 -0.302 -4.552 410 3HG2 VAL 54 HG23 VAL 54 5.013 0.509 -3.191 411 H THR 55 HN THR 55 5.769 -2.828 -4.863 412 HA THR 55 HA THR 55 7.789 -3.959 -2.998 413 HB THR 55 HB THR 55 7.094 -5.282 -5.658 414 HG1 THR 55 HG1 THR 55 5.753 -5.378 -3.577 415 1HG2 THR 55 HG23 THR 55 9.315 -5.545 -3.701 416 2HG2 THR 55 HG22 THR 55 8.507 -7.055 -4.112 417 3HG2 THR 55 HG21 THR 55 9.241 -6.076 -5.374 418 H GLU 56 HN GLU 56 9.485 -2.600 -3.212 419 HA GLU 56 HA GLU 56 9.870 -0.849 -5.451 420 1HB GLU 56 HB2 GLU 56 10.998 -1.149 -2.913 421 2HB GLU 56 HB1 GLU 56 12.333 -1.436 -4.017 422 1HG GLU 56 HG2 GLU 56 10.474 0.967 -4.093 423 2HG GLU 56 HG1 GLU 56 12.126 0.974 -3.484 Start of MODEL 24 Raw file had 423 H/Q atoms Entry Start of MODEL 24 1 1H MET 1 HT1 MET 1 -13.742 0.016 5.995 2 2H MET 1 HT3 MET 1 -14.981 -0.422 4.918 3 3H MET 1 HT2 MET 1 -13.561 -1.349 5.001 4 HA MET 1 HA MET 1 -13.420 -0.038 3.051 5 1HB MET 1 HB2 MET 1 -13.490 2.472 3.253 6 2HB MET 1 HB1 MET 1 -15.039 1.686 3.539 7 1HG MET 1 HG2 MET 1 -14.583 1.745 5.978 8 2HG MET 1 HG1 MET 1 -13.085 2.580 5.668 9 1HE MET 1 HE2 MET 1 -13.066 4.637 4.123 10 2HE MET 1 HE1 MET 1 -14.551 4.560 3.174 11 3HE MET 1 HE3 MET 1 -14.243 5.947 4.218 12 H THR 2 HN THR 2 -11.617 -1.265 4.663 13 HA THR 2 HA THR 2 -9.334 0.646 4.566 14 HB THR 2 HB THR 2 -9.710 -1.272 6.893 15 HG1 THR 2 HG1 THR 2 -10.555 1.371 6.344 16 1HG2 THR 2 HG23 THR 2 -7.459 0.052 6.142 17 2HG2 THR 2 HG22 THR 2 -8.270 1.340 7.025 18 3HG2 THR 2 HG21 THR 2 -7.889 -0.176 7.834 19 OH TYR 3 OH TYR 3 -11.607 0.423 -0.856 20 H TYR 3 HN TYR 3 -7.797 -0.205 3.311 21 HA TYR 3 HA TYR 3 -7.751 -3.161 2.926 22 1HB TYR 3 HB2 TYR 3 -6.112 -1.200 1.341 23 2HB TYR 3 HB1 TYR 3 -6.677 -2.792 0.867 24 HD1 TYR 3 HD1 TYR 3 -7.886 0.637 1.714 25 HD2 TYR 3 HD2 TYR 3 -8.754 -3.034 -0.240 26 HE1 TYR 3 HE1 TYR 3 -9.905 1.632 0.740 27 HE2 TYR 3 HE2 TYR 3 -10.769 -2.041 -1.219 28 HH TYR 3 HH TYR 3 -12.354 0.187 -0.301 29 H LYS 4 HN LYS 4 -5.610 -4.197 2.783 30 HA LYS 4 HA LYS 4 -3.799 -3.110 4.902 31 1HB LYS 4 HB2 LYS 4 -5.000 -5.510 4.856 32 2HB LYS 4 HB1 LYS 4 -3.579 -5.914 3.906 33 1HG LYS 4 HG2 LYS 4 -2.180 -4.856 5.758 34 2HG LYS 4 HG1 LYS 4 -3.651 -4.799 6.718 35 1HD LYS 4 HD2 LYS 4 -3.881 -7.186 6.693 36 2HD LYS 4 HD1 LYS 4 -2.640 -7.359 5.456 37 1HE LYS 4 HE2 LYS 4 -0.898 -6.863 6.946 38 2HE LYS 4 HE1 LYS 4 -1.964 -6.028 8.068 39 1HZ LYS 4 HZ1 LYS 4 -2.578 -8.819 7.638 40 2HZ LYS 4 HZ3 LYS 4 -1.092 -8.522 8.403 41 3HZ LYS 4 HZ2 LYS 4 -2.530 -7.922 9.079 42 H LEU 5 HN LEU 5 -1.875 -2.329 4.228 43 HA LEU 5 HA LEU 5 -0.999 -2.926 1.473 44 1HB LEU 5 HB2 LEU 5 -0.844 -0.602 2.098 45 2HB LEU 5 HB1 LEU 5 -0.023 -0.987 3.603 46 HG LEU 5 HG LEU 5 1.947 -1.834 2.214 47 1HD1 LEU 5 HD12 LEU 5 0.355 -0.546 -0.027 48 2HD1 LEU 5 HD11 LEU 5 2.021 -1.092 -0.157 49 3HD1 LEU 5 HD13 LEU 5 0.733 -2.260 0.101 50 1HD2 LEU 5 HD22 LEU 5 1.731 0.502 3.189 51 2HD2 LEU 5 HD21 LEU 5 2.819 0.355 1.813 52 3HD2 LEU 5 HD23 LEU 5 1.207 1.024 1.594 53 H ILE 6 HN ILE 6 1.053 -3.798 0.992 54 HA ILE 6 HA ILE 6 2.474 -5.140 3.214 55 HB ILE 6 HB ILE 6 1.939 -6.306 0.475 56 1HG1 ILE 6 HG12 ILE 6 0.876 -7.135 3.195 57 2HG1 ILE 6 HG11 ILE 6 -0.047 -6.205 2.021 58 1HG2 ILE 6 HG22 ILE 6 3.909 -6.873 2.496 59 2HG2 ILE 6 HG21 ILE 6 2.792 -8.230 2.388 60 3HG2 ILE 6 HG23 ILE 6 3.659 -7.687 0.955 61 1HD1 ILE 6 HD1 ILE 6 1.136 -8.527 0.750 62 2HD1 ILE 6 HD3 ILE 6 0.186 -9.015 2.149 63 3HD1 ILE 6 HD2 ILE 6 -0.560 -8.076 0.862 64 H LEU 7 HN LEU 7 4.251 -3.885 3.335 65 HA LEU 7 HA LEU 7 5.500 -2.765 0.951 66 1HB LEU 7 HB2 LEU 7 6.202 -2.744 3.877 67 2HB LEU 7 HB1 LEU 7 7.259 -2.037 2.659 68 HG LEU 7 HG LEU 7 4.389 -1.280 2.481 69 1HD1 LEU 7 HD13 LEU 7 6.216 -0.310 4.706 70 2HD1 LEU 7 HD12 LEU 7 4.684 0.441 4.272 71 3HD1 LEU 7 HD11 LEU 7 4.711 -1.200 4.911 72 1HD2 LEU 7 HD21 LEU 7 6.419 -0.452 1.089 73 2HD2 LEU 7 HD23 LEU 7 5.305 0.765 1.701 74 3HD2 LEU 7 HD22 LEU 7 6.840 0.488 2.517 75 H ASN 8 HN ASN 8 6.672 -3.989 -0.375 76 HA ASN 8 HA ASN 8 8.327 -6.172 0.804 77 1HB ASN 8 HB2 ASN 8 6.781 -5.845 -1.646 78 2HB ASN 8 HB1 ASN 8 8.415 -6.375 -1.985 79 1HD2 ASN 8 HD22 ASN 8 5.867 -9.094 -0.868 80 2HD2 ASN 8 HD21 ASN 8 5.525 -7.660 -1.697 81 H GLY 9 HN GLY 9 9.179 -3.541 1.162 82 1HA GLY 9 HA2 GLY 9 10.918 -2.509 -0.817 83 2HA GLY 9 HA1 GLY 9 11.104 -2.220 0.906 84 H LYS 10 HN LYS 10 13.060 -2.817 -1.290 85 HA LYS 10 HA LYS 10 14.131 -5.440 -0.990 86 1HB LYS 10 HB2 LYS 10 14.740 -3.370 -2.589 87 2HB LYS 10 HB1 LYS 10 16.023 -3.180 -1.398 88 1HG LYS 10 HG2 LYS 10 16.477 -5.686 -1.701 89 2HG LYS 10 HG1 LYS 10 15.423 -5.607 -3.108 90 1HD LYS 10 HD2 LYS 10 16.972 -3.513 -3.700 91 2HD LYS 10 HD1 LYS 10 18.122 -4.380 -2.688 92 1HE LYS 10 HE2 LYS 10 18.467 -5.166 -4.934 93 2HE LYS 10 HE1 LYS 10 17.616 -6.450 -4.083 94 1HZ LYS 10 HZ2 LYS 10 15.530 -5.270 -4.991 95 2HZ LYS 10 HZ1 LYS 10 16.603 -4.586 -6.114 96 3HZ LYS 10 HZ3 LYS 10 16.434 -6.273 -6.021 97 H THR 11 HN THR 11 15.191 -2.409 0.543 98 HA THR 11 HA THR 11 16.696 -3.986 2.542 99 HB THR 11 HB THR 11 17.230 -1.450 3.266 100 HG1 THR 11 HG1 THR 11 16.406 -0.125 1.836 101 1HG2 THR 11 HG23 THR 11 18.866 -3.076 2.183 102 2HG2 THR 11 HG22 THR 11 18.233 -2.568 0.621 103 3HG2 THR 11 HG21 THR 11 19.067 -1.410 1.652 104 H LEU 12 HN LEU 12 13.590 -3.106 2.227 105 HA LEU 12 HA LEU 12 13.196 -3.108 5.161 106 1HB LEU 12 HB2 LEU 12 13.401 -0.689 4.280 107 2HB LEU 12 HB1 LEU 12 11.834 -0.971 3.530 108 HG LEU 12 HG LEU 12 11.380 -1.924 6.058 109 1HD1 LEU 12 HD13 LEU 12 13.746 -1.006 6.593 110 2HD1 LEU 12 HD12 LEU 12 13.013 0.589 6.463 111 3HD1 LEU 12 HD11 LEU 12 12.439 -0.547 7.680 112 1HD2 LEU 12 HD21 LEU 12 11.036 0.822 4.840 113 2HD2 LEU 12 HD23 LEU 12 9.829 -0.445 5.025 114 3HD2 LEU 12 HD22 LEU 12 10.398 0.441 6.436 115 H LYS 13 HN LYS 13 11.162 -3.838 5.793 116 HA LYS 13 HA LYS 13 9.144 -4.396 3.712 117 1HB LYS 13 HB2 LYS 13 10.536 -6.547 5.317 118 2HB LYS 13 HB1 LYS 13 9.000 -6.809 4.503 119 1HG LYS 13 HG2 LYS 13 10.113 -6.035 2.357 120 2HG LYS 13 HG1 LYS 13 11.645 -6.049 3.224 121 1HD LYS 13 HD2 LYS 13 11.427 -8.424 3.688 122 2HD LYS 13 HD1 LYS 13 9.801 -8.448 3.015 123 1HE LYS 13 HE2 LYS 13 11.644 -9.277 1.455 124 2HE LYS 13 HE1 LYS 13 10.613 -8.011 0.800 125 1HZ LYS 13 HZ2 LYS 13 12.852 -6.957 2.224 126 2HZ LYS 13 HZ1 LYS 13 13.328 -7.960 0.938 127 3HZ LYS 13 HZ3 LYS 13 12.317 -6.627 0.646 128 H GLY 14 HN GLY 14 7.122 -4.177 4.519 129 1HA GLY 14 HA2 GLY 14 6.539 -4.753 7.326 130 2HA GLY 14 HA1 GLY 14 6.505 -3.035 6.945 131 H GLU 15 HN GLU 15 4.258 -3.036 7.469 132 HA GLU 15 HA GLU 15 2.525 -3.320 5.216 133 1HB GLU 15 HB2 GLU 15 1.048 -5.130 6.322 134 2HB GLU 15 HB1 GLU 15 2.515 -5.670 5.512 135 1HG GLU 15 HG2 GLU 15 3.710 -5.784 7.636 136 2HG GLU 15 HG1 GLU 15 2.343 -5.073 8.486 137 H THR 16 HN THR 16 0.826 -1.990 5.541 138 HA THR 16 HA THR 16 -0.106 -1.482 8.311 139 HB THR 16 HB THR 16 1.452 0.320 8.168 140 HG1 THR 16 HG1 THR 16 -0.970 0.741 8.362 141 1HG2 THR 16 HG21 THR 16 0.482 0.545 5.302 142 2HG2 THR 16 HG23 THR 16 1.369 1.841 6.097 143 3HG2 THR 16 HG22 THR 16 2.133 0.273 5.845 144 H THR 17 HN THR 17 -2.198 -0.533 8.417 145 HA THR 17 HA THR 17 -3.764 -0.934 5.901 146 HB THR 17 HB THR 17 -5.617 -1.559 7.259 147 HG1 THR 17 HG1 THR 17 -5.915 -0.219 8.869 148 1HG2 THR 17 HG22 THR 17 -3.201 -2.829 7.837 149 2HG2 THR 17 HG21 THR 17 -3.763 -2.317 9.422 150 3HG2 THR 17 HG23 THR 17 -4.773 -3.354 8.421 151 H THR 18 HN THR 18 -5.100 0.657 5.127 152 HA THR 18 HA THR 18 -5.144 3.252 6.618 153 HB THR 18 HB THR 18 -3.528 3.109 4.533 154 HG1 THR 18 HG1 THR 18 -4.116 5.017 5.578 155 1HG2 THR 18 HG22 THR 18 -5.614 2.194 3.148 156 2HG2 THR 18 HG21 THR 18 -6.066 3.894 3.113 157 3HG2 THR 18 HG23 THR 18 -4.534 3.377 2.418 158 H GLU 19 HN GLU 19 -7.030 4.440 6.450 159 HA GLU 19 HA GLU 19 -9.395 2.905 5.616 160 1HB GLU 19 HB2 GLU 19 -9.151 5.665 6.843 161 2HB GLU 19 HB1 GLU 19 -10.657 4.784 6.612 162 1HG GLU 19 HG2 GLU 19 -9.883 2.993 8.092 163 2HG GLU 19 HG1 GLU 19 -8.308 3.767 8.250 164 H ALA 20 HN ALA 20 -9.952 2.936 3.533 165 HA ALA 20 HA ALA 20 -10.071 5.567 2.144 166 1HB ALA 20 HB1 ALA 20 -8.377 3.261 1.439 167 2HB ALA 20 HB3 ALA 20 -9.328 3.900 0.102 168 3HB ALA 20 HB2 ALA 20 -8.220 4.951 0.977 169 H VAL 21 HN VAL 21 -11.737 5.742 0.651 170 HA VAL 21 HA VAL 21 -13.828 3.671 0.900 171 HB VAL 21 HB VAL 21 -14.378 6.094 1.147 172 1HG1 VAL 21 HG12 VAL 21 -12.690 6.689 -0.743 173 2HG1 VAL 21 HG11 VAL 21 -14.007 6.296 -1.843 174 3HG1 VAL 21 HG13 VAL 21 -14.197 7.597 -0.672 175 1HG2 VAL 21 HG21 VAL 21 -16.093 4.440 0.431 176 2HG2 VAL 21 HG23 VAL 21 -16.377 6.018 -0.298 177 3HG2 VAL 21 HG22 VAL 21 -15.653 4.727 -1.250 178 H ASP 22 HN ASP 22 -12.001 5.303 -1.675 179 HA ASP 22 HA ASP 22 -12.861 3.135 -3.554 180 1HB ASP 22 HB2 ASP 22 -12.086 4.819 -5.327 181 2HB ASP 22 HB1 ASP 22 -13.558 5.224 -4.448 182 H ALA 23 HN ALA 23 -11.213 2.553 -5.206 183 HA ALA 23 HA ALA 23 -8.733 1.828 -3.902 184 1HB ALA 23 HB3 ALA 23 -9.874 1.493 -6.656 185 2HB ALA 23 HB2 ALA 23 -8.169 1.155 -6.380 186 3HB ALA 23 HB1 ALA 23 -9.398 0.259 -5.494 187 H ALA 24 HN ALA 24 -9.705 4.337 -6.137 188 HA ALA 24 HA ALA 24 -7.137 5.187 -7.007 189 1HB ALA 24 HB1 ALA 24 -9.759 6.041 -7.369 190 2HB ALA 24 HB3 ALA 24 -8.985 7.399 -6.559 191 3HB ALA 24 HB2 ALA 24 -8.325 6.785 -8.071 192 H THR 25 HN THR 25 -9.122 6.558 -4.380 193 HA THR 25 HA THR 25 -7.072 8.274 -3.382 194 HB THR 25 HB THR 25 -9.625 8.278 -2.799 195 HG1 THR 25 HG1 THR 25 -8.996 9.344 -0.920 196 1HG2 THR 25 HG23 THR 25 -9.196 5.827 -1.727 197 2HG2 THR 25 HG22 THR 25 -8.726 6.813 -0.348 198 3HG2 THR 25 HG21 THR 25 -10.348 6.953 -1.019 199 H ALA 26 HN ALA 26 -7.638 4.877 -2.983 200 HA ALA 26 HA ALA 26 -6.024 4.575 -0.590 201 1HB ALA 26 HB3 ALA 26 -7.717 2.896 -1.270 202 2HB ALA 26 HB2 ALA 26 -6.749 2.516 -2.689 203 3HB ALA 26 HB1 ALA 26 -6.123 2.172 -1.079 204 H GLU 27 HN GLU 27 -5.423 4.426 -4.047 205 HA GLU 27 HA GLU 27 -2.800 3.337 -3.976 206 1HB GLU 27 HB2 GLU 27 -4.232 5.162 -5.895 207 2HB GLU 27 HB1 GLU 27 -2.558 4.704 -6.160 208 1HG GLU 27 HG2 GLU 27 -3.223 2.298 -6.026 209 2HG GLU 27 HG1 GLU 27 -4.902 2.800 -5.856 210 H LYS 28 HN LYS 28 -3.807 6.758 -4.122 211 HA LYS 28 HA LYS 28 -1.112 7.744 -3.785 212 1HB LYS 28 HB2 LYS 28 -2.070 9.909 -3.718 213 2HB LYS 28 HB1 LYS 28 -3.124 8.987 -4.783 214 1HG LYS 28 HG2 LYS 28 -4.503 8.465 -2.654 215 2HG LYS 28 HG1 LYS 28 -3.602 9.777 -1.904 216 1HD LYS 28 HD2 LYS 28 -4.293 11.102 -4.081 217 2HD LYS 28 HD1 LYS 28 -5.563 9.887 -4.179 218 1HE LYS 28 HE2 LYS 28 -6.635 11.439 -2.835 219 2HE LYS 28 HE1 LYS 28 -5.835 10.490 -1.589 220 1HZ LYS 28 HZ3 LYS 28 -4.031 12.415 -2.493 221 2HZ LYS 28 HZ2 LYS 28 -5.505 13.201 -2.190 222 3HZ LYS 28 HZ1 LYS 28 -4.760 12.293 -0.964 223 H VAL 29 HN VAL 29 -3.779 7.131 -1.548 224 HA VAL 29 HA VAL 29 -2.701 8.400 0.745 225 HB VAL 29 HB VAL 29 -4.447 5.962 0.423 226 1HG1 VAL 29 HG12 VAL 29 -3.236 7.183 2.890 227 2HG1 VAL 29 HG11 VAL 29 -4.853 6.493 2.974 228 3HG1 VAL 29 HG13 VAL 29 -3.489 5.483 2.508 229 1HG2 VAL 29 HG21 VAL 29 -5.065 8.538 0.029 230 2HG2 VAL 29 HG23 VAL 29 -6.205 7.431 0.787 231 3HG2 VAL 29 HG22 VAL 29 -5.232 8.509 1.781 232 H PHE 30 HN PHE 30 -2.453 4.947 -0.115 233 HA PHE 30 HA PHE 30 -0.515 4.344 1.888 234 1HB PHE 30 HB2 PHE 30 -1.411 3.017 -0.644 235 2HB PHE 30 HB1 PHE 30 0.055 2.435 0.131 236 HD1 PHE 30 HD1 PHE 30 -0.279 2.292 2.884 237 HD2 PHE 30 HD2 PHE 30 -3.343 1.846 -0.048 238 HE1 PHE 30 HE1 PHE 30 -1.657 1.050 4.496 239 HE2 PHE 30 HE2 PHE 30 -4.686 0.589 1.567 240 HZ PHE 30 HZ PHE 30 -3.840 0.152 3.825 241 H LYS 31 HN LYS 31 -0.151 5.224 -1.532 242 HA LYS 31 HA LYS 31 2.653 4.992 -1.724 243 1HB LYS 31 HB2 LYS 31 1.019 5.579 -3.588 244 2HB LYS 31 HB1 LYS 31 1.062 7.231 -2.985 245 1HG LYS 31 HG2 LYS 31 3.757 6.518 -3.117 246 2HG LYS 31 HG1 LYS 31 3.068 5.763 -4.548 247 1HD LYS 31 HD2 LYS 31 2.686 8.683 -3.789 248 2HD LYS 31 HD1 LYS 31 3.844 8.101 -4.980 249 1HE LYS 31 HE2 LYS 31 2.233 8.041 -6.554 250 2HE LYS 31 HE1 LYS 31 1.281 6.943 -5.564 251 1HZ LYS 31 HZ3 LYS 31 1.310 9.874 -5.151 252 2HZ LYS 31 HZ2 LYS 31 0.185 9.088 -6.153 253 3HZ LYS 31 HZ1 LYS 31 0.231 8.740 -4.491 254 H GLN 32 HN GLN 32 0.677 7.550 -0.357 255 HA GLN 32 HA GLN 32 2.762 9.455 0.067 256 1HB GLN 32 HB2 GLN 32 0.269 9.855 0.316 257 2HB GLN 32 HB1 GLN 32 0.361 9.014 1.860 258 1HG GLN 32 HG2 GLN 32 2.462 10.805 2.038 259 2HG GLN 32 HG1 GLN 32 1.253 11.731 1.154 260 1HE2 GLN 32 HE22 GLN 32 -1.109 11.692 3.873 261 2HE2 GLN 32 HE21 GLN 32 -1.014 11.710 2.178 262 OH TYR 33 OH TYR 33 5.088 2.779 8.254 263 H TYR 33 HN TYR 33 1.708 6.636 1.857 264 HA TYR 33 HA TYR 33 3.317 7.167 4.206 265 1HB TYR 33 HB2 TYR 33 1.382 5.650 4.299 266 2HB TYR 33 HB1 TYR 33 2.176 4.560 3.166 267 HD1 TYR 33 HD1 TYR 33 4.345 3.458 3.842 268 HD2 TYR 33 HD2 TYR 33 1.959 5.616 6.624 269 HE1 TYR 33 HE1 TYR 33 5.532 2.383 5.693 270 HE2 TYR 33 HE2 TYR 33 3.146 4.536 8.478 271 HH TYR 33 HH TYR 33 4.862 3.244 9.062 272 H ALA 34 HN ALA 34 3.678 4.731 1.641 273 HA ALA 34 HA ALA 34 6.237 3.811 2.271 274 1HB ALA 34 HB3 ALA 34 4.489 3.634 0.050 275 2HB ALA 34 HB2 ALA 34 6.057 4.122 -0.585 276 3HB ALA 34 HB1 ALA 34 5.915 2.650 0.371 277 H ASN 35 HN ASN 35 5.329 6.747 0.554 278 HA ASN 35 HA ASN 35 7.916 7.524 -0.337 279 1HB ASN 35 HB2 ASN 35 5.497 8.580 -0.695 280 2HB ASN 35 HB1 ASN 35 6.015 9.617 0.630 281 1HD2 ASN 35 HD22 ASN 35 7.861 11.615 -1.581 282 2HD2 ASN 35 HD21 ASN 35 6.862 11.511 -0.213 283 H ASP 36 HN ASP 36 6.320 7.870 2.769 284 HA ASP 36 HA ASP 36 8.479 9.517 3.870 285 1HB ASP 36 HB2 ASP 36 6.168 8.143 5.268 286 2HB ASP 36 HB1 ASP 36 7.215 9.376 5.969 287 H ASN 37 HN ASN 37 8.905 6.704 2.824 288 HA ASN 37 HA ASN 37 10.433 5.747 5.196 289 1HB ASN 37 HB2 ASN 37 8.388 4.220 3.613 290 2HB ASN 37 HB1 ASN 37 9.740 3.365 4.351 291 1HD2 ASN 37 HD22 ASN 37 6.708 4.742 6.669 292 2HD2 ASN 37 HD21 ASN 37 6.714 4.976 4.988 293 H GLY 38 HN GLY 38 9.951 5.786 1.728 294 1HA GLY 38 HA2 GLY 38 11.903 6.048 0.257 295 2HA GLY 38 HA1 GLY 38 12.834 5.076 1.390 296 H VAL 39 HN VAL 39 9.681 4.614 -0.197 297 HA VAL 39 HA VAL 39 10.766 2.174 -1.516 298 HB VAL 39 HB VAL 39 8.248 2.278 0.167 299 1HG1 VAL 39 HG11 VAL 39 9.138 0.507 -2.020 300 2HG1 VAL 39 HG13 VAL 39 8.677 -0.348 -0.553 301 3HG1 VAL 39 HG12 VAL 39 7.527 0.726 -1.345 302 1HG2 VAL 39 HG23 VAL 39 10.820 0.680 0.423 303 2HG2 VAL 39 HG22 VAL 39 10.350 2.029 1.453 304 3HG2 VAL 39 HG21 VAL 39 9.422 0.533 1.483 305 H ASP 40 HN ASP 40 10.621 3.083 -3.546 306 HA ASP 40 HA ASP 40 7.844 3.595 -4.522 307 1HB ASP 40 HB2 ASP 40 10.189 5.207 -5.505 308 2HB ASP 40 HB1 ASP 40 8.472 5.570 -5.648 309 H GLY 41 HN GLY 41 7.422 2.143 -6.048 310 1HA GLY 41 HA2 GLY 41 9.198 1.780 -8.320 311 2HA GLY 41 HA1 GLY 41 9.173 0.365 -7.270 312 H GLU 42 HN GLU 42 7.620 -1.094 -7.623 313 HA GLU 42 HA GLU 42 5.430 -0.377 -9.508 314 1HB GLU 42 HB2 GLU 42 6.360 -3.064 -8.483 315 2HB GLU 42 HB1 GLU 42 5.110 -2.821 -9.693 316 1HG GLU 42 HG2 GLU 42 6.622 -2.265 -11.337 317 2HG GLU 42 HG1 GLU 42 7.711 -1.466 -10.208 318 CH2 TRP 43 CH2 TRP 43 2.161 2.446 -2.187 319 H TRP 43 HN TRP 43 3.248 -0.884 -9.007 320 HA TRP 43 HA TRP 43 2.705 -1.342 -6.097 321 1HB TRP 43 HB2 TRP 43 1.654 0.771 -7.948 322 2HB TRP 43 HB1 TRP 43 0.696 0.250 -6.571 323 HD1 TRP 43 HD1 TRP 43 4.267 1.502 -7.360 324 HE1 TRP 43 HE1 TRP 43 5.035 2.800 -5.316 325 HE3 TRP 43 HE3 TRP 43 0.369 0.652 -4.389 326 HZ2 TRP 43 HZ2 TRP 43 4.066 3.331 -2.567 327 HZ3 TRP 43 HZ3 TRP 43 0.273 1.463 -2.083 328 HH2 TRP 43 HH2 TRP 43 2.118 2.794 -1.166 329 H THR 44 HN THR 44 1.162 -2.784 -5.637 330 HA THR 44 HA THR 44 -0.496 -3.827 -7.908 331 HB THR 44 HB THR 44 -0.365 -6.053 -6.524 332 HG1 THR 44 HG1 THR 44 1.728 -4.387 -5.546 333 1HG2 THR 44 HG21 THR 44 1.623 -4.797 -8.320 334 2HG2 THR 44 HG23 THR 44 2.306 -6.032 -7.267 335 3HG2 THR 44 HG22 THR 44 0.981 -6.436 -8.354 336 OH TYR 45 OH TYR 45 -8.946 -1.343 -3.050 337 H TYR 45 HN TYR 45 -2.475 -4.930 -7.207 338 HA TYR 45 HA TYR 45 -3.599 -3.904 -4.636 339 1HB TYR 45 HB2 TYR 45 -4.184 -2.502 -6.745 340 2HB TYR 45 HB1 TYR 45 -5.180 -3.879 -7.219 341 HD1 TYR 45 HD1 TYR 45 -6.620 -4.755 -4.864 342 HD2 TYR 45 HD2 TYR 45 -5.472 -0.791 -5.881 343 HE1 TYR 45 HE1 TYR 45 -8.374 -3.877 -3.418 344 HE2 TYR 45 HE2 TYR 45 -7.273 0.084 -4.481 345 HH TYR 45 HH TYR 45 -8.595 -0.596 -2.558 346 H ASP 46 HN ASP 46 -4.550 -5.522 -3.535 347 HA ASP 46 HA ASP 46 -5.173 -8.050 -5.003 348 1HB ASP 46 HB2 ASP 46 -3.556 -7.914 -2.954 349 2HB ASP 46 HB1 ASP 46 -5.038 -7.828 -2.009 350 H ASP 47 HN ASP 47 -7.176 -6.798 -5.688 351 HA ASP 47 HA ASP 47 -9.227 -6.092 -3.845 352 1HB ASP 47 HB2 ASP 47 -9.563 -5.333 -6.045 353 2HB ASP 47 HB1 ASP 47 -9.233 -6.917 -6.741 354 H ALA 48 HN ALA 48 -7.918 -9.101 -4.483 355 HA ALA 48 HA ALA 48 -10.263 -10.766 -4.307 356 1HB ALA 48 HB2 ALA 48 -7.682 -11.258 -4.907 357 2HB ALA 48 HB1 ALA 48 -7.691 -11.788 -3.227 358 3HB ALA 48 HB3 ALA 48 -8.792 -12.523 -4.387 359 H THR 49 HN THR 49 -8.240 -9.195 -1.937 360 HA THR 49 HA THR 49 -10.151 -10.045 0.169 361 HB THR 49 HB THR 49 -8.119 -10.536 1.695 362 HG1 THR 49 HG1 THR 49 -6.384 -9.880 0.638 363 1HG2 THR 49 HG22 THR 49 -9.469 -12.382 0.572 364 2HG2 THR 49 HG21 THR 49 -8.347 -12.288 -0.783 365 3HG2 THR 49 HG23 THR 49 -7.770 -12.787 0.804 366 H LYS 50 HN LYS 50 -9.254 -7.546 -1.319 367 HA LYS 50 HA LYS 50 -8.901 -5.286 -0.805 368 1HB LYS 50 HB2 LYS 50 -9.917 -6.143 1.917 369 2HB LYS 50 HB1 LYS 50 -9.901 -4.504 1.281 370 1HG LYS 50 HG2 LYS 50 -11.292 -5.466 -0.686 371 2HG LYS 50 HG1 LYS 50 -11.560 -6.855 0.360 372 1HD LYS 50 HD2 LYS 50 -12.502 -5.394 2.099 373 2HD LYS 50 HD1 LYS 50 -12.181 -3.977 1.105 374 1HE LYS 50 HE2 LYS 50 -14.521 -4.616 0.832 375 2HE LYS 50 HE1 LYS 50 -13.664 -4.940 -0.669 376 1HZ LYS 50 HZ2 LYS 50 -13.452 -7.254 -0.001 377 2HZ LYS 50 HZ1 LYS 50 -14.311 -6.933 1.429 378 3HZ LYS 50 HZ3 LYS 50 -15.081 -6.779 -0.077 379 H THR 51 HN THR 51 -6.585 -6.325 -0.917 380 HA THR 51 HA THR 51 -5.125 -5.314 1.481 381 HB THR 51 HB THR 51 -5.028 -8.087 0.316 382 HG1 THR 51 HG1 THR 51 -4.258 -7.592 2.862 383 1HG2 THR 51 HG23 THR 51 -2.688 -6.639 1.610 384 2HG2 THR 51 HG22 THR 51 -2.804 -8.383 1.456 385 3HG2 THR 51 HG21 THR 51 -2.680 -7.379 0.017 386 H PHE 52 HN PHE 52 -3.760 -3.744 0.774 387 HA PHE 52 HA PHE 52 -3.071 -3.581 -2.061 388 1HB PHE 52 HB2 PHE 52 -3.032 -1.815 0.234 389 2HB PHE 52 HB1 PHE 52 -1.536 -1.713 -0.686 390 HD1 PHE 52 HD1 PHE 52 -1.596 -1.074 -3.106 391 HD2 PHE 52 HD2 PHE 52 -5.121 -1.134 -0.752 392 HE1 PHE 52 HE1 PHE 52 -2.795 0.202 -4.842 393 HE2 PHE 52 HE2 PHE 52 -6.270 0.244 -2.400 394 HZ PHE 52 HZ PHE 52 -5.097 0.952 -4.433 395 H THR 53 HN THR 53 -0.761 -3.299 -2.716 396 HA THR 53 HA THR 53 1.283 -4.382 -0.928 397 HB THR 53 HB THR 53 0.403 -5.975 -3.366 398 HG1 THR 53 HG1 THR 53 -0.873 -6.448 -1.654 399 1HG2 THR 53 HG22 THR 53 2.858 -5.977 -1.668 400 2HG2 THR 53 HG21 THR 53 2.111 -7.549 -1.937 401 3HG2 THR 53 HG23 THR 53 2.647 -6.583 -3.308 402 H VAL 54 HN VAL 54 3.258 -3.626 -1.489 403 HA VAL 54 HA VAL 54 3.627 -2.579 -4.265 404 HB VAL 54 HB VAL 54 3.031 -0.718 -2.658 405 1HG1 VAL 54 HG12 VAL 54 4.230 -1.845 -0.730 406 2HG1 VAL 54 HG11 VAL 54 5.743 -1.308 -1.452 407 3HG1 VAL 54 HG13 VAL 54 4.555 -0.128 -0.908 408 1HG2 VAL 54 HG21 VAL 54 5.780 -0.772 -3.928 409 2HG2 VAL 54 HG23 VAL 54 4.302 -0.103 -4.596 410 3HG2 VAL 54 HG22 VAL 54 5.081 0.681 -3.232 411 H THR 55 HN THR 55 5.812 -2.597 -4.958 412 HA THR 55 HA THR 55 7.780 -3.880 -3.137 413 HB THR 55 HB THR 55 7.180 -4.981 -5.916 414 HG1 THR 55 HG1 THR 55 5.729 -6.105 -4.864 415 1HG2 THR 55 HG22 THR 55 9.293 -5.424 -3.921 416 2HG2 THR 55 HG21 THR 55 8.371 -6.890 -4.246 417 3HG2 THR 55 HG23 THR 55 9.175 -6.046 -5.561 418 H GLU 56 HN GLU 56 9.491 -2.556 -3.194 419 HA GLU 56 HA GLU 56 9.982 -0.609 -5.215 420 1HB GLU 56 HB2 GLU 56 11.066 -1.212 -2.743 421 2HB GLU 56 HB1 GLU 56 12.396 -1.541 -3.844 422 1HG GLU 56 HG2 GLU 56 11.908 0.722 -4.918 423 2HG GLU 56 HG1 GLU 56 10.824 1.036 -3.565 Start of MODEL 25 Raw file had 423 H/Q atoms Entry Start of MODEL 25 1 1H MET 1 HT1 MET 1 -13.805 1.642 5.142 2 2H MET 1 HT3 MET 1 -15.042 1.312 4.025 3 3H MET 1 HT2 MET 1 -14.968 0.454 5.489 4 HA MET 1 HA MET 1 -13.786 -1.104 4.493 5 1HB MET 1 HB2 MET 1 -13.496 0.801 2.153 6 2HB MET 1 HB1 MET 1 -13.170 -0.928 2.124 7 1HG MET 1 HG2 MET 1 -15.333 -0.873 1.313 8 2HG MET 1 HG1 MET 1 -15.604 -1.153 3.012 9 1HE MET 1 HE2 MET 1 -17.833 -0.564 3.460 10 2HE MET 1 HE1 MET 1 -16.813 0.310 4.605 11 3HE MET 1 HE3 MET 1 -18.216 1.103 3.887 12 H THR 2 HN THR 2 -11.665 -1.764 4.548 13 HA THR 2 HA THR 2 -9.545 0.319 4.480 14 HB THR 2 HB THR 2 -9.786 -1.661 6.780 15 HG1 THR 2 HG1 THR 2 -10.998 -0.147 7.644 16 1HG2 THR 2 HG21 THR 2 -7.543 -0.351 5.948 17 2HG2 THR 2 HG23 THR 2 -8.293 0.919 6.911 18 3HG2 THR 2 HG22 THR 2 -7.897 -0.630 7.651 19 OH TYR 3 OH TYR 3 -11.681 0.343 -0.781 20 H TYR 3 HN TYR 3 -7.833 -0.371 3.355 21 HA TYR 3 HA TYR 3 -7.644 -3.290 2.753 22 1HB TYR 3 HB2 TYR 3 -6.109 -1.142 1.315 23 2HB TYR 3 HB1 TYR 3 -6.591 -2.726 0.733 24 HD1 TYR 3 HD1 TYR 3 -7.974 0.568 1.808 25 HD2 TYR 3 HD2 TYR 3 -8.657 -3.000 -0.394 26 HE1 TYR 3 HE1 TYR 3 -10.043 1.523 0.901 27 HE2 TYR 3 HE2 TYR 3 -10.718 -2.044 -1.311 28 HH TYR 3 HH TYR 3 -11.554 0.483 -1.722 29 H LYS 4 HN LYS 4 -5.580 -4.311 2.803 30 HA LYS 4 HA LYS 4 -3.770 -3.123 4.857 31 1HB LYS 4 HB2 LYS 4 -4.936 -5.495 4.982 32 2HB LYS 4 HB1 LYS 4 -3.613 -5.975 3.937 33 1HG LYS 4 HG2 LYS 4 -2.239 -4.564 5.822 34 2HG LYS 4 HG1 LYS 4 -3.560 -5.201 6.796 35 1HD LYS 4 HD2 LYS 4 -1.713 -6.830 5.021 36 2HD LYS 4 HD1 LYS 4 -1.683 -6.790 6.780 37 1HE LYS 4 HE2 LYS 4 -4.299 -7.389 6.373 38 2HE LYS 4 HE1 LYS 4 -3.593 -8.146 4.951 39 1HZ LYS 4 HZ1 LYS 4 -2.654 -8.597 7.727 40 2HZ LYS 4 HZ3 LYS 4 -3.718 -9.624 6.892 41 3HZ LYS 4 HZ2 LYS 4 -2.130 -9.408 6.330 42 H LEU 5 HN LEU 5 -1.919 -2.267 4.121 43 HA LEU 5 HA LEU 5 -0.974 -2.951 1.421 44 1HB LEU 5 HB2 LEU 5 -0.845 -0.618 2.004 45 2HB LEU 5 HB1 LEU 5 -0.055 -0.972 3.532 46 HG LEU 5 HG LEU 5 1.956 -1.822 2.203 47 1HD1 LEU 5 HD13 LEU 5 0.412 -0.575 -0.093 48 2HD1 LEU 5 HD12 LEU 5 2.076 -1.129 -0.174 49 3HD1 LEU 5 HD11 LEU 5 0.780 -2.289 0.072 50 1HD2 LEU 5 HD22 LEU 5 1.672 0.542 3.129 51 2HD2 LEU 5 HD21 LEU 5 2.827 0.359 1.814 52 3HD2 LEU 5 HD23 LEU 5 1.228 1.017 1.495 53 H ILE 6 HN ILE 6 1.110 -3.806 0.987 54 HA ILE 6 HA ILE 6 2.509 -5.086 3.256 55 HB ILE 6 HB ILE 6 2.069 -6.378 0.555 56 1HG1 ILE 6 HG12 ILE 6 0.645 -6.691 3.213 57 2HG1 ILE 6 HG11 ILE 6 -0.069 -6.329 1.649 58 1HG2 ILE 6 HG21 ILE 6 4.138 -6.962 1.996 59 2HG2 ILE 6 HG23 ILE 6 2.997 -7.658 3.137 60 3HG2 ILE 6 HG22 ILE 6 3.116 -8.304 1.504 61 1HD1 ILE 6 HD2 ILE 6 0.879 -8.606 0.881 62 2HD1 ILE 6 HD1 ILE 6 1.118 -8.944 2.593 63 3HD1 ILE 6 HD3 ILE 6 -0.499 -8.645 1.972 64 H LEU 7 HN LEU 7 4.294 -3.847 3.343 65 HA LEU 7 HA LEU 7 5.566 -2.809 0.935 66 1HB LEU 7 HB2 LEU 7 6.156 -2.660 3.869 67 2HB LEU 7 HB1 LEU 7 7.354 -2.129 2.696 68 HG LEU 7 HG LEU 7 4.549 -1.166 2.324 69 1HD1 LEU 7 HD13 LEU 7 6.455 -0.092 4.435 70 2HD1 LEU 7 HD12 LEU 7 4.960 0.690 3.932 71 3HD1 LEU 7 HD11 LEU 7 4.906 -0.870 4.747 72 1HD2 LEU 7 HD22 LEU 7 6.396 -0.592 0.759 73 2HD2 LEU 7 HD21 LEU 7 5.761 0.843 1.559 74 3HD2 LEU 7 HD23 LEU 7 7.285 0.139 2.092 75 H ASN 8 HN ASN 8 6.710 -4.107 -0.344 76 HA ASN 8 HA ASN 8 8.374 -6.240 0.914 77 1HB ASN 8 HB2 ASN 8 6.749 -6.061 -1.497 78 2HB ASN 8 HB1 ASN 8 8.369 -6.609 -1.861 79 1HD2 ASN 8 HD22 ASN 8 5.902 -9.294 -0.578 80 2HD2 ASN 8 HD21 ASN 8 5.559 -7.933 -1.523 81 H GLY 9 HN GLY 9 9.175 -3.540 1.001 82 1HA GLY 9 HA2 GLY 9 10.900 -2.769 -1.120 83 2HA GLY 9 HA1 GLY 9 11.038 -2.192 0.533 84 H LYS 10 HN LYS 10 13.015 -3.159 -1.562 85 HA LYS 10 HA LYS 10 14.159 -5.618 -0.564 86 1HB LYS 10 HB2 LYS 10 15.470 -3.372 -2.126 87 2HB LYS 10 HB1 LYS 10 16.142 -4.980 -1.892 88 1HG LYS 10 HG2 LYS 10 13.684 -5.640 -2.851 89 2HG LYS 10 HG1 LYS 10 13.913 -4.094 -3.657 90 1HD LYS 10 HD2 LYS 10 15.900 -6.397 -3.718 91 2HD LYS 10 HD1 LYS 10 14.787 -5.990 -5.018 92 1HE LYS 10 HE2 LYS 10 16.967 -4.182 -3.920 93 2HE LYS 10 HE1 LYS 10 16.996 -5.011 -5.470 94 1HZ LYS 10 HZ1 LYS 10 14.952 -3.017 -4.675 95 2HZ LYS 10 HZ3 LYS 10 16.316 -2.673 -5.626 96 3HZ LYS 10 HZ2 LYS 10 15.127 -3.741 -6.201 97 H THR 11 HN THR 11 14.684 -2.208 0.078 98 HA THR 11 HA THR 11 16.786 -2.829 2.049 99 HB THR 11 HB THR 11 16.776 -0.259 2.273 100 HG1 THR 11 HG1 THR 11 15.432 0.762 0.840 101 1HG2 THR 11 HG23 THR 11 17.661 -1.895 0.055 102 2HG2 THR 11 HG22 THR 11 17.090 -0.345 -0.556 103 3HG2 THR 11 HG21 THR 11 18.374 -0.398 0.648 104 H LEU 12 HN LEU 12 13.450 -2.694 1.969 105 HA LEU 12 HA LEU 12 13.297 -2.735 4.894 106 1HB LEU 12 HB2 LEU 12 13.323 -0.257 4.117 107 2HB LEU 12 HB1 LEU 12 11.690 -0.575 3.546 108 HG LEU 12 HG LEU 12 11.438 -1.627 5.994 109 1HD1 LEU 12 HD12 LEU 12 13.976 -0.906 6.277 110 2HD1 LEU 12 HD11 LEU 12 13.269 0.670 6.619 111 3HD1 LEU 12 HD13 LEU 12 12.850 -0.720 7.617 112 1HD2 LEU 12 HD22 LEU 12 11.386 1.340 5.344 113 2HD2 LEU 12 HD21 LEU 12 10.066 0.203 5.092 114 3HD2 LEU 12 HD23 LEU 12 10.583 0.602 6.727 115 H LYS 13 HN LYS 13 11.278 -3.481 5.664 116 HA LYS 13 HA LYS 13 9.215 -4.158 3.637 117 1HB LYS 13 HB2 LYS 13 10.448 -6.207 5.497 118 2HB LYS 13 HB1 LYS 13 9.126 -6.498 4.374 119 1HG LYS 13 HG2 LYS 13 10.669 -5.759 2.507 120 2HG LYS 13 HG1 LYS 13 11.978 -5.729 3.683 121 1HD LYS 13 HD2 LYS 13 11.569 -8.120 4.194 122 2HD LYS 13 HD1 LYS 13 10.267 -8.148 3.010 123 1HE LYS 13 HE2 LYS 13 11.835 -7.607 1.213 124 2HE LYS 13 HE1 LYS 13 13.148 -7.434 2.371 125 1HZ LYS 13 HZ2 LYS 13 12.426 -9.858 2.985 126 2HZ LYS 13 HZ1 LYS 13 11.839 -9.857 1.391 127 3HZ LYS 13 HZ3 LYS 13 13.484 -9.555 1.691 128 H GLY 14 HN GLY 14 7.166 -4.057 4.454 129 1HA GLY 14 HA2 GLY 14 6.611 -4.384 7.292 130 2HA GLY 14 HA1 GLY 14 6.549 -2.697 6.794 131 H GLU 15 HN GLU 15 4.280 -2.840 7.429 132 HA GLU 15 HA GLU 15 2.522 -3.185 5.196 133 1HB GLU 15 HB2 GLU 15 1.192 -5.094 6.025 134 2HB GLU 15 HB1 GLU 15 2.843 -5.587 5.677 135 1HG GLU 15 HG2 GLU 15 3.021 -4.756 8.308 136 2HG GLU 15 HG1 GLU 15 1.423 -5.494 8.253 137 H THR 16 HN THR 16 0.701 -2.008 5.570 138 HA THR 16 HA THR 16 -0.220 -1.590 8.347 139 HB THR 16 HB THR 16 1.460 0.230 8.041 140 HG1 THR 16 HG1 THR 16 -0.887 0.361 8.908 141 1HG2 THR 16 HG22 THR 16 0.467 0.314 5.406 142 2HG2 THR 16 HG21 THR 16 -0.186 1.758 6.172 143 3HG2 THR 16 HG23 THR 16 1.554 1.490 6.135 144 H THR 17 HN THR 17 -2.343 -0.702 8.470 145 HA THR 17 HA THR 17 -3.866 -1.020 5.914 146 HB THR 17 HB THR 17 -5.710 -1.822 7.206 147 HG1 THR 17 HG1 THR 17 -5.115 -1.421 9.670 148 1HG2 THR 17 HG21 THR 17 -3.257 -3.055 7.639 149 2HG2 THR 17 HG23 THR 17 -3.792 -2.692 9.276 150 3HG2 THR 17 HG22 THR 17 -4.798 -3.675 8.220 151 H THR 18 HN THR 18 -5.046 0.631 5.134 152 HA THR 18 HA THR 18 -5.414 3.049 6.866 153 HB THR 18 HB THR 18 -3.605 3.192 4.948 154 HG1 THR 18 HG1 THR 18 -5.694 4.822 5.790 155 1HG2 THR 18 HG23 THR 18 -5.508 2.306 3.289 156 2HG2 THR 18 HG22 THR 18 -6.024 3.987 3.344 157 3HG2 THR 18 HG21 THR 18 -4.410 3.581 2.772 158 H GLU 19 HN GLU 19 -7.266 4.354 6.337 159 HA GLU 19 HA GLU 19 -9.493 2.715 5.275 160 1HB GLU 19 HB2 GLU 19 -9.345 5.293 6.835 161 2HB GLU 19 HB1 GLU 19 -10.850 4.746 6.105 162 1HG GLU 19 HG2 GLU 19 -10.709 2.626 7.345 163 2HG GLU 19 HG1 GLU 19 -9.163 3.114 8.034 164 H ALA 20 HN ALA 20 -10.278 2.986 3.282 165 HA ALA 20 HA ALA 20 -9.938 5.621 1.936 166 1HB ALA 20 HB3 ALA 20 -8.488 3.229 1.291 167 2HB ALA 20 HB2 ALA 20 -9.570 3.617 -0.042 168 3HB ALA 20 HB1 ALA 20 -8.397 4.806 0.514 169 H VAL 21 HN VAL 21 -11.543 6.115 0.451 170 HA VAL 21 HA VAL 21 -13.984 4.469 0.684 171 HB VAL 21 HB VAL 21 -13.888 7.037 0.875 172 1HG1 VAL 21 HG13 VAL 21 -12.488 7.082 -1.332 173 2HG1 VAL 21 HG12 VAL 21 -14.045 6.913 -2.136 174 3HG1 VAL 21 HG11 VAL 21 -13.732 8.308 -1.109 175 1HG2 VAL 21 HG23 VAL 21 -15.799 5.334 -0.652 176 2HG2 VAL 21 HG22 VAL 21 -16.077 6.322 0.779 177 3HG2 VAL 21 HG21 VAL 21 -16.005 7.075 -0.811 178 H ASP 22 HN ASP 22 -11.459 5.106 -1.561 179 HA ASP 22 HA ASP 22 -12.760 3.271 -3.497 180 1HB ASP 22 HB2 ASP 22 -11.901 4.886 -5.341 181 2HB ASP 22 HB1 ASP 22 -13.385 5.313 -4.495 182 H ALA 23 HN ALA 23 -11.186 2.551 -5.188 183 HA ALA 23 HA ALA 23 -8.708 1.758 -3.922 184 1HB ALA 23 HB3 ALA 23 -9.950 1.365 -6.619 185 2HB ALA 23 HB2 ALA 23 -8.240 1.003 -6.409 186 3HB ALA 23 HB1 ALA 23 -9.444 0.160 -5.441 187 H ALA 24 HN ALA 24 -9.665 4.408 -5.900 188 HA ALA 24 HA ALA 24 -7.052 5.058 -6.951 189 1HB ALA 24 HB2 ALA 24 -9.472 6.823 -6.497 190 2HB ALA 24 HB1 ALA 24 -8.062 7.263 -7.455 191 3HB ALA 24 HB3 ALA 24 -9.103 5.941 -7.974 192 H THR 25 HN THR 25 -8.976 6.690 -4.436 193 HA THR 25 HA THR 25 -6.884 8.318 -3.454 194 HB THR 25 HB THR 25 -9.467 8.270 -2.834 195 HG1 THR 25 HG1 THR 25 -7.641 8.719 -0.736 196 1HG2 THR 25 HG23 THR 25 -9.009 5.952 -1.621 197 2HG2 THR 25 HG22 THR 25 -8.311 6.974 -0.370 198 3HG2 THR 25 HG21 THR 25 -10.003 7.162 -0.817 199 H ALA 26 HN ALA 26 -7.563 4.939 -2.927 200 HA ALA 26 HA ALA 26 -5.966 4.592 -0.563 201 1HB ALA 26 HB1 ALA 26 -7.619 2.917 -1.410 202 2HB ALA 26 HB3 ALA 26 -6.524 2.561 -2.743 203 3HB ALA 26 HB2 ALA 26 -6.038 2.212 -1.087 204 H GLU 27 HN GLU 27 -5.239 4.317 -4.018 205 HA GLU 27 HA GLU 27 -2.584 3.387 -3.829 206 1HB GLU 27 HB2 GLU 27 -3.959 5.195 -5.813 207 2HB GLU 27 HB1 GLU 27 -2.287 4.697 -6.013 208 1HG GLU 27 HG2 GLU 27 -3.006 2.311 -5.874 209 2HG GLU 27 HG1 GLU 27 -4.677 2.850 -5.765 210 H LYS 28 HN LYS 28 -3.700 6.757 -4.082 211 HA LYS 28 HA LYS 28 -1.109 7.906 -3.654 212 1HB LYS 28 HB2 LYS 28 -3.877 9.050 -3.226 213 2HB LYS 28 HB1 LYS 28 -2.398 9.999 -3.164 214 1HG LYS 28 HG2 LYS 28 -2.058 9.878 -5.441 215 2HG LYS 28 HG1 LYS 28 -2.752 8.266 -5.563 216 1HD LYS 28 HD2 LYS 28 -4.227 9.895 -6.664 217 2HD LYS 28 HD1 LYS 28 -5.026 9.243 -5.239 218 1HE LYS 28 HE2 LYS 28 -5.255 11.717 -5.377 219 2HE LYS 28 HE1 LYS 28 -4.371 11.227 -3.938 220 1HZ LYS 28 HZ3 LYS 28 -2.781 11.733 -6.315 221 2HZ LYS 28 HZ2 LYS 28 -3.513 13.089 -5.601 222 3HZ LYS 28 HZ1 LYS 28 -2.465 12.111 -4.690 223 H VAL 29 HN VAL 29 -3.793 7.219 -1.436 224 HA VAL 29 HA VAL 29 -2.718 8.417 0.887 225 HB VAL 29 HB VAL 29 -4.424 5.939 0.575 226 1HG1 VAL 29 HG12 VAL 29 -3.489 7.443 3.030 227 2HG1 VAL 29 HG11 VAL 29 -4.971 6.491 3.039 228 3HG1 VAL 29 HG13 VAL 29 -3.424 5.710 2.728 229 1HG2 VAL 29 HG22 VAL 29 -5.042 8.538 0.043 230 2HG2 VAL 29 HG21 VAL 29 -6.218 7.371 0.639 231 3HG2 VAL 29 HG23 VAL 29 -5.425 8.473 1.760 232 H PHE 30 HN PHE 30 -2.436 5.005 -0.105 233 HA PHE 30 HA PHE 30 -0.529 4.340 1.928 234 1HB PHE 30 HB2 PHE 30 -1.448 3.073 -0.622 235 2HB PHE 30 HB1 PHE 30 0.030 2.470 0.115 236 HD1 PHE 30 HD1 PHE 30 -0.236 2.239 2.850 237 HD2 PHE 30 HD2 PHE 30 -3.397 1.945 0.006 238 HE1 PHE 30 HE1 PHE 30 -1.581 0.965 4.464 239 HE2 PHE 30 HE2 PHE 30 -4.716 0.663 1.626 240 HZ PHE 30 HZ PHE 30 -3.806 0.137 3.838 241 H LYS 31 HN LYS 31 -0.145 5.299 -1.471 242 HA LYS 31 HA LYS 31 2.662 5.034 -1.659 243 1HB LYS 31 HB2 LYS 31 1.096 5.620 -3.539 244 2HB LYS 31 HB1 LYS 31 1.009 7.252 -2.890 245 1HG LYS 31 HG2 LYS 31 2.859 7.735 -4.113 246 2HG LYS 31 HG1 LYS 31 3.758 6.735 -2.983 247 1HD LYS 31 HD2 LYS 31 4.305 5.738 -5.025 248 2HD LYS 31 HD1 LYS 31 2.949 4.744 -4.519 249 1HE LYS 31 HE2 LYS 31 2.959 7.010 -6.528 250 2HE LYS 31 HE1 LYS 31 2.498 5.335 -6.795 251 1HZ LYS 31 HZ3 LYS 31 0.617 5.678 -5.292 252 2HZ LYS 31 HZ2 LYS 31 1.044 7.314 -5.135 253 3HZ LYS 31 HZ1 LYS 31 0.557 6.705 -6.643 254 H GLN 32 HN GLN 32 0.701 7.548 -0.198 255 HA GLN 32 HA GLN 32 2.810 9.442 0.242 256 1HB GLN 32 HB2 GLN 32 0.355 9.930 0.468 257 2HB GLN 32 HB1 GLN 32 0.353 8.991 1.957 258 1HG GLN 32 HG2 GLN 32 1.016 10.854 3.056 259 2HG GLN 32 HG1 GLN 32 2.539 10.775 2.176 260 1HE2 GLN 32 HE22 GLN 32 -0.273 13.532 1.137 261 2HE2 GLN 32 HE21 GLN 32 -0.596 12.365 2.326 262 OH TYR 33 OH TYR 33 4.972 2.478 8.236 263 H TYR 33 HN TYR 33 1.639 6.665 2.038 264 HA TYR 33 HA TYR 33 3.230 7.105 4.396 265 1HB TYR 33 HB2 TYR 33 1.306 5.583 4.423 266 2HB TYR 33 HB1 TYR 33 2.093 4.544 3.240 267 HD1 TYR 33 HD1 TYR 33 4.254 3.396 3.864 268 HD2 TYR 33 HD2 TYR 33 1.872 5.422 6.745 269 HE1 TYR 33 HE1 TYR 33 5.424 2.214 5.659 270 HE2 TYR 33 HE2 TYR 33 3.042 4.237 8.545 271 HH TYR 33 HH TYR 33 5.584 1.858 7.834 272 H ALA 34 HN ALA 34 3.646 4.808 1.721 273 HA ALA 34 HA ALA 34 6.168 3.798 2.316 274 1HB ALA 34 HB3 ALA 34 5.085 4.590 -0.400 275 2HB ALA 34 HB2 ALA 34 6.481 3.553 -0.143 276 3HB ALA 34 HB1 ALA 34 4.889 3.028 0.388 277 H ASN 35 HN ASN 35 5.373 6.904 0.850 278 HA ASN 35 HA ASN 35 7.940 7.757 0.070 279 1HB ASN 35 HB2 ASN 35 5.724 8.975 -0.255 280 2HB ASN 35 HB1 ASN 35 5.905 9.557 1.398 281 1HD2 ASN 35 HD22 ASN 35 9.278 10.805 -0.244 282 2HD2 ASN 35 HD21 ASN 35 9.015 9.258 0.401 283 H ASP 36 HN ASP 36 6.443 7.752 3.255 284 HA ASP 36 HA ASP 36 8.618 9.177 4.545 285 1HB ASP 36 HB2 ASP 36 6.285 7.549 5.541 286 2HB ASP 36 HB1 ASP 36 7.507 8.163 6.651 287 H ASN 37 HN ASN 37 8.992 6.553 2.947 288 HA ASN 37 HA ASN 37 10.886 5.359 4.909 289 1HB ASN 37 HB2 ASN 37 9.013 3.720 3.183 290 2HB ASN 37 HB1 ASN 37 10.181 3.097 4.346 291 1HD2 ASN 37 HD22 ASN 37 6.557 4.364 5.621 292 2HD2 ASN 37 HD21 ASN 37 6.973 4.346 3.975 293 H GLY 38 HN GLY 38 9.852 5.793 1.589 294 1HA GLY 38 HA2 GLY 38 11.435 6.291 -0.183 295 2HA GLY 38 HA1 GLY 38 12.681 5.450 0.734 296 H VAL 39 HN VAL 39 9.418 4.295 0.061 297 HA VAL 39 HA VAL 39 10.613 2.072 -1.560 298 HB VAL 39 HB VAL 39 8.201 2.026 0.279 299 1HG1 VAL 39 HG12 VAL 39 9.310 0.100 -1.751 300 2HG1 VAL 39 HG11 VAL 39 8.548 -0.534 -0.296 301 3HG1 VAL 39 HG13 VAL 39 7.630 0.490 -1.395 302 1HG2 VAL 39 HG21 VAL 39 10.764 1.934 1.064 303 2HG2 VAL 39 HG23 VAL 39 9.540 0.910 1.809 304 3HG2 VAL 39 HG22 VAL 39 10.599 0.255 0.563 305 H ASP 40 HN ASP 40 10.281 3.144 -3.546 306 HA ASP 40 HA ASP 40 7.423 3.197 -4.406 307 1HB ASP 40 HB2 ASP 40 9.447 5.345 -5.094 308 2HB ASP 40 HB1 ASP 40 7.752 5.307 -5.577 309 H GLY 41 HN GLY 41 7.173 1.933 -6.126 310 1HA GLY 41 HA2 GLY 41 8.878 2.065 -8.441 311 2HA GLY 41 HA1 GLY 41 9.247 0.619 -7.504 312 H GLU 42 HN GLU 42 7.669 -1.005 -7.303 313 HA GLU 42 HA GLU 42 5.552 -0.886 -9.410 314 1HB GLU 42 HB2 GLU 42 7.001 -3.151 -8.069 315 2HB GLU 42 HB1 GLU 42 5.548 -3.418 -9.020 316 1HG GLU 42 HG2 GLU 42 7.684 -1.741 -10.262 317 2HG GLU 42 HG1 GLU 42 8.004 -3.467 -10.127 318 CH2 TRP 43 CH2 TRP 43 2.188 2.453 -2.120 319 H TRP 43 HN TRP 43 3.480 -0.838 -8.818 320 HA TRP 43 HA TRP 43 2.818 -1.450 -5.960 321 1HB TRP 43 HB2 TRP 43 1.865 0.674 -7.846 322 2HB TRP 43 HB1 TRP 43 0.858 0.176 -6.497 323 HD1 TRP 43 HD1 TRP 43 4.503 1.300 -7.162 324 HE1 TRP 43 HE1 TRP 43 5.208 2.651 -5.127 325 HE3 TRP 43 HE3 TRP 43 0.455 0.643 -4.349 326 HZ2 TRP 43 HZ2 TRP 43 4.126 3.285 -2.435 327 HZ3 TRP 43 HZ3 TRP 43 0.273 1.517 -2.077 328 HH2 TRP 43 HH2 TRP 43 2.105 2.834 -1.112 329 H THR 44 HN THR 44 1.237 -2.863 -5.551 330 HA THR 44 HA THR 44 -0.365 -3.885 -7.868 331 HB THR 44 HB THR 44 -0.326 -6.100 -6.461 332 HG1 THR 44 HG1 THR 44 1.786 -5.957 -5.267 333 1HG2 THR 44 HG23 THR 44 1.848 -4.880 -8.103 334 2HG2 THR 44 HG22 THR 44 2.312 -6.260 -7.113 335 3HG2 THR 44 HG21 THR 44 1.036 -6.428 -8.314 336 OH TYR 45 OH TYR 45 -8.834 -1.202 -3.161 337 H TYR 45 HN TYR 45 -2.364 -5.051 -7.124 338 HA TYR 45 HA TYR 45 -3.538 -3.944 -4.623 339 1HB TYR 45 HB2 TYR 45 -4.007 -2.499 -6.726 340 2HB TYR 45 HB1 TYR 45 -5.038 -3.832 -7.249 341 HD1 TYR 45 HD1 TYR 45 -6.584 -4.681 -4.943 342 HD2 TYR 45 HD2 TYR 45 -5.262 -0.753 -5.888 343 HE1 TYR 45 HE1 TYR 45 -8.345 -3.750 -3.539 344 HE2 TYR 45 HE2 TYR 45 -7.069 0.178 -4.529 345 HH TYR 45 HH TYR 45 -9.629 -1.710 -3.329 346 H ASP 46 HN ASP 46 -4.553 -5.545 -3.562 347 HA ASP 46 HA ASP 46 -5.309 -8.005 -5.088 348 1HB ASP 46 HB2 ASP 46 -3.662 -8.083 -3.097 349 2HB ASP 46 HB1 ASP 46 -5.082 -7.812 -2.090 350 H ASP 47 HN ASP 47 -7.259 -6.730 -5.744 351 HA ASP 47 HA ASP 47 -9.236 -5.937 -3.819 352 1HB ASP 47 HB2 ASP 47 -9.127 -5.257 -6.267 353 2HB ASP 47 HB1 ASP 47 -9.790 -6.844 -6.651 354 H ALA 48 HN ALA 48 -8.049 -8.908 -4.241 355 HA ALA 48 HA ALA 48 -10.551 -10.434 -4.276 356 1HB ALA 48 HB1 ALA 48 -7.948 -11.037 -4.914 357 2HB ALA 48 HB3 ALA 48 -8.128 -11.811 -3.342 358 3HB ALA 48 HB2 ALA 48 -9.219 -12.229 -4.660 359 H THR 49 HN THR 49 -8.276 -9.234 -1.902 360 HA THR 49 HA THR 49 -10.147 -10.127 0.244 361 HB THR 49 HB THR 49 -8.153 -10.789 1.647 362 HG1 THR 49 HG1 THR 49 -6.347 -10.030 0.849 363 1HG2 THR 49 HG21 THR 49 -9.279 -12.278 -0.430 364 2HG2 THR 49 HG23 THR 49 -7.558 -12.318 -0.797 365 3HG2 THR 49 HG22 THR 49 -8.142 -12.906 0.758 366 H LYS 50 HN LYS 50 -9.200 -7.543 -1.179 367 HA LYS 50 HA LYS 50 -8.852 -5.312 -0.541 368 1HB LYS 50 HB2 LYS 50 -9.649 -6.168 2.242 369 2HB LYS 50 HB1 LYS 50 -9.865 -4.593 1.487 370 1HG LYS 50 HG2 LYS 50 -11.447 -5.592 -0.138 371 2HG LYS 50 HG1 LYS 50 -11.238 -7.164 0.625 372 1HD LYS 50 HD2 LYS 50 -12.641 -6.635 2.327 373 2HD LYS 50 HD1 LYS 50 -11.889 -5.062 2.561 374 1HE LYS 50 HE2 LYS 50 -13.862 -5.725 0.351 375 2HE LYS 50 HE1 LYS 50 -14.269 -4.874 1.836 376 1HZ LYS 50 HZ3 LYS 50 -12.040 -3.644 0.655 377 2HZ LYS 50 HZ2 LYS 50 -13.255 -3.810 -0.520 378 3HZ LYS 50 HZ1 LYS 50 -13.586 -2.999 0.935 379 H THR 51 HN THR 51 -6.551 -6.287 -0.820 380 HA THR 51 HA THR 51 -5.001 -5.452 1.580 381 HB THR 51 HB THR 51 -4.867 -8.157 0.214 382 HG1 THR 51 HG1 THR 51 -5.343 -8.709 2.236 383 1HG2 THR 51 HG21 THR 51 -2.740 -6.843 1.952 384 2HG2 THR 51 HG23 THR 51 -2.784 -8.548 1.529 385 3HG2 THR 51 HG22 THR 51 -2.513 -7.340 0.280 386 H PHE 52 HN PHE 52 -3.737 -3.813 0.833 387 HA PHE 52 HA PHE 52 -3.041 -3.644 -1.995 388 1HB PHE 52 HB2 PHE 52 -3.029 -1.893 0.298 389 2HB PHE 52 HB1 PHE 52 -1.496 -1.806 -0.559 390 HD1 PHE 52 HD1 PHE 52 -1.458 -1.184 -2.995 391 HD2 PHE 52 HD2 PHE 52 -5.053 -1.147 -0.746 392 HE1 PHE 52 HE1 PHE 52 -2.567 0.128 -4.762 393 HE2 PHE 52 HE2 PHE 52 -6.109 0.276 -2.422 394 HZ PHE 52 HZ PHE 52 -4.857 0.948 -4.418 395 H THR 53 HN THR 53 -0.742 -3.434 -2.679 396 HA THR 53 HA THR 53 1.290 -4.507 -0.863 397 HB THR 53 HB THR 53 0.416 -6.113 -3.296 398 HG1 THR 53 HG1 THR 53 -0.641 -7.164 -1.788 399 1HG2 THR 53 HG22 THR 53 2.937 -5.988 -1.857 400 2HG2 THR 53 HG21 THR 53 2.145 -7.528 -1.536 401 3HG2 THR 53 HG23 THR 53 2.501 -7.050 -3.193 402 H VAL 54 HN VAL 54 3.323 -3.932 -1.485 403 HA VAL 54 HA VAL 54 3.710 -2.873 -4.238 404 HB VAL 54 HB VAL 54 3.058 -0.972 -2.724 405 1HG1 VAL 54 HG12 VAL 54 4.162 -2.046 -0.715 406 2HG1 VAL 54 HG11 VAL 54 5.708 -1.524 -1.374 407 3HG1 VAL 54 HG13 VAL 54 4.495 -0.332 -0.918 408 1HG2 VAL 54 HG21 VAL 54 5.877 -1.032 -3.838 409 2HG2 VAL 54 HG23 VAL 54 4.431 -0.418 -4.621 410 3HG2 VAL 54 HG22 VAL 54 5.109 0.431 -3.244 411 H THR 55 HN THR 55 5.890 -2.908 -4.892 412 HA THR 55 HA THR 55 7.874 -4.054 -2.999 413 HB THR 55 HB THR 55 7.209 -5.372 -5.669 414 HG1 THR 55 HG1 THR 55 6.114 -6.741 -4.402 415 1HG2 THR 55 HG21 THR 55 9.415 -5.637 -3.696 416 2HG2 THR 55 HG23 THR 55 8.608 -7.147 -4.107 417 3HG2 THR 55 HG22 THR 55 9.352 -6.174 -5.368 418 H GLU 56 HN GLU 56 9.573 -2.695 -3.179 419 HA GLU 56 HA GLU 56 10.006 -0.939 -5.397 420 1HB GLU 56 HB2 GLU 56 11.114 -1.279 -2.860 421 2HB GLU 56 HB1 GLU 56 12.452 -1.584 -3.956 422 1HG GLU 56 HG2 GLU 56 10.637 0.853 -4.017 423 2HG GLU 56 HG1 GLU 56 12.293 0.824 -3.417 Start of MODEL 26 Raw file had 423 H/Q atoms Entry Start of MODEL 26 1 1H MET 1 HT3 MET 1 -13.415 2.106 3.548 2 2H MET 1 HT2 MET 1 -14.252 1.402 2.249 3 3H MET 1 HT1 MET 1 -14.915 1.354 3.812 4 HA MET 1 HA MET 1 -13.807 -0.471 4.351 5 1HB MET 1 HB2 MET 1 -12.788 -0.479 1.502 6 2HB MET 1 HB1 MET 1 -13.074 -1.871 2.541 7 1HG MET 1 HG2 MET 1 -15.068 -1.954 1.478 8 2HG MET 1 HG1 MET 1 -15.510 -0.733 2.641 9 1HE MET 1 HE2 MET 1 -17.516 -0.666 1.013 10 2HE MET 1 HE1 MET 1 -17.184 0.868 1.817 11 3HE MET 1 HE3 MET 1 -17.613 0.844 0.107 12 H THR 2 HN THR 2 -11.711 -1.504 4.698 13 HA THR 2 HA THR 2 -9.435 0.440 4.495 14 HB THR 2 HB THR 2 -9.713 -1.573 6.746 15 HG1 THR 2 HG1 THR 2 -11.227 -0.305 7.509 16 1HG2 THR 2 HG23 THR 2 -7.594 -0.041 6.165 17 2HG2 THR 2 HG22 THR 2 -8.582 1.206 6.920 18 3HG2 THR 2 HG21 THR 2 -8.127 -0.229 7.833 19 OH TYR 3 OH TYR 3 -11.614 0.081 -1.102 20 H TYR 3 HN TYR 3 -7.871 -0.313 3.217 21 HA TYR 3 HA TYR 3 -7.686 -3.252 2.769 22 1HB TYR 3 HB2 TYR 3 -6.102 -1.157 1.298 23 2HB TYR 3 HB1 TYR 3 -6.522 -2.777 0.768 24 HD1 TYR 3 HD1 TYR 3 -8.037 0.529 1.633 25 HD2 TYR 3 HD2 TYR 3 -8.515 -3.145 -0.442 26 HE1 TYR 3 HE1 TYR 3 -10.087 1.381 0.592 27 HE2 TYR 3 HE2 TYR 3 -10.558 -2.294 -1.489 28 HH TYR 3 HH TYR 3 -11.892 -0.548 -1.770 29 H LYS 4 HN LYS 4 -5.509 -4.208 2.691 30 HA LYS 4 HA LYS 4 -3.793 -3.048 4.853 31 1HB LYS 4 HB2 LYS 4 -4.929 -5.472 4.853 32 2HB LYS 4 HB1 LYS 4 -3.490 -5.867 3.931 33 1HG LYS 4 HG2 LYS 4 -2.118 -4.764 5.756 34 2HG LYS 4 HG1 LYS 4 -3.595 -4.627 6.692 35 1HD LYS 4 HD2 LYS 4 -2.969 -7.334 5.602 36 2HD LYS 4 HD1 LYS 4 -1.955 -6.753 6.913 37 1HE LYS 4 HE2 LYS 4 -3.924 -7.993 7.771 38 2HE LYS 4 HE1 LYS 4 -3.942 -6.312 8.290 39 1HZ LYS 4 HZ3 LYS 4 -5.305 -6.993 5.796 40 2HZ LYS 4 HZ2 LYS 4 -6.044 -7.447 7.257 41 3HZ LYS 4 HZ1 LYS 4 -5.687 -5.813 6.956 42 H LEU 5 HN LEU 5 -1.956 -2.149 4.155 43 HA LEU 5 HA LEU 5 -0.934 -2.790 1.475 44 1HB LEU 5 HB2 LEU 5 -0.879 -0.461 2.087 45 2HB LEU 5 HB1 LEU 5 -0.108 -0.808 3.626 46 HG LEU 5 HG LEU 5 1.945 -1.601 2.322 47 1HD1 LEU 5 HD11 LEU 5 0.387 -0.390 0.015 48 2HD1 LEU 5 HD13 LEU 5 2.081 -0.855 -0.051 49 3HD1 LEU 5 HD12 LEU 5 0.841 -2.083 0.168 50 1HD2 LEU 5 HD23 LEU 5 1.568 0.758 3.259 51 2HD2 LEU 5 HD22 LEU 5 2.780 0.594 1.994 52 3HD2 LEU 5 HD21 LEU 5 1.187 1.226 1.608 53 H ILE 6 HN ILE 6 1.182 -3.587 1.097 54 HA ILE 6 HA ILE 6 2.606 -4.760 3.393 55 HB ILE 6 HB ILE 6 1.692 -6.200 0.911 56 1HG1 ILE 6 HG12 ILE 6 1.546 -6.889 3.871 57 2HG1 ILE 6 HG11 ILE 6 0.241 -6.126 2.976 58 1HG2 ILE 6 HG22 ILE 6 3.962 -6.823 2.812 59 2HG2 ILE 6 HG21 ILE 6 3.143 -8.101 1.923 60 3HG2 ILE 6 HG23 ILE 6 3.984 -6.827 1.053 61 1HD1 ILE 6 HD2 ILE 6 0.875 -8.312 1.383 62 2HD1 ILE 6 HD1 ILE 6 1.074 -8.942 3.015 63 3HD1 ILE 6 HD3 ILE 6 -0.463 -8.238 2.524 64 H LEU 7 HN LEU 7 4.403 -3.528 3.312 65 HA LEU 7 HA LEU 7 5.586 -2.700 0.778 66 1HB LEU 7 HB2 LEU 7 6.495 -2.413 3.641 67 2HB LEU 7 HB1 LEU 7 7.372 -1.742 2.272 68 HG LEU 7 HG LEU 7 4.528 -1.087 2.158 69 1HD1 LEU 7 HD13 LEU 7 6.146 -0.166 4.559 70 2HD1 LEU 7 HD12 LEU 7 4.591 0.505 4.078 71 3HD1 LEU 7 HD11 LEU 7 4.700 -1.170 4.611 72 1HD2 LEU 7 HD22 LEU 7 6.352 0.002 0.855 73 2HD2 LEU 7 HD21 LEU 7 5.459 1.170 1.824 74 3HD2 LEU 7 HD23 LEU 7 7.041 0.610 2.357 75 H ASN 8 HN ASN 8 6.816 -3.971 -0.430 76 HA ASN 8 HA ASN 8 8.373 -6.142 0.903 77 1HB ASN 8 HB2 ASN 8 6.827 -5.938 -1.544 78 2HB ASN 8 HB1 ASN 8 8.456 -6.472 -1.901 79 1HD2 ASN 8 HD22 ASN 8 5.929 -9.139 -0.594 80 2HD2 ASN 8 HD21 ASN 8 5.555 -7.727 -1.448 81 H GLY 9 HN GLY 9 9.303 -3.510 1.087 82 1HA GLY 9 HA2 GLY 9 11.087 -2.661 -0.925 83 2HA GLY 9 HA1 GLY 9 11.289 -2.292 0.780 84 H LYS 10 HN LYS 10 13.199 -3.098 -1.402 85 HA LYS 10 HA LYS 10 14.164 -5.739 -0.978 86 1HB LYS 10 HB2 LYS 10 16.323 -3.838 -1.427 87 2HB LYS 10 HB1 LYS 10 15.733 -5.119 -2.478 88 1HG LYS 10 HG2 LYS 10 13.799 -3.603 -3.095 89 2HG LYS 10 HG1 LYS 10 14.605 -2.317 -2.201 90 1HD LYS 10 HD2 LYS 10 15.500 -1.920 -4.297 91 2HD LYS 10 HD1 LYS 10 16.680 -3.084 -3.708 92 1HE LYS 10 HE2 LYS 10 14.993 -4.855 -4.697 93 2HE LYS 10 HE1 LYS 10 14.430 -3.494 -5.658 94 1HZ LYS 10 HZ1 LYS 10 17.300 -4.131 -5.494 95 2HZ LYS 10 HZ3 LYS 10 16.290 -4.957 -6.581 96 3HZ LYS 10 HZ2 LYS 10 16.463 -3.271 -6.695 97 H THR 11 HN THR 11 15.383 -2.704 0.430 98 HA THR 11 HA THR 11 16.793 -4.268 2.503 99 HB THR 11 HB THR 11 17.585 -1.854 3.135 100 HG1 THR 11 HG1 THR 11 16.216 -0.571 2.088 101 1HG2 THR 11 HG22 THR 11 18.362 -3.583 0.927 102 2HG2 THR 11 HG21 THR 11 18.538 -1.894 0.462 103 3HG2 THR 11 HG23 THR 11 19.381 -2.509 1.879 104 H LEU 12 HN LEU 12 13.728 -3.218 2.141 105 HA LEU 12 HA LEU 12 13.351 -3.107 5.074 106 1HB LEU 12 HB2 LEU 12 13.708 -0.732 4.104 107 2HB LEU 12 HB1 LEU 12 12.102 -0.931 3.411 108 HG LEU 12 HG LEU 12 11.588 -1.754 5.937 109 1HD1 LEU 12 HD12 LEU 12 14.091 -1.180 6.413 110 2HD1 LEU 12 HD11 LEU 12 13.550 0.495 6.383 111 3HD1 LEU 12 HD13 LEU 12 12.877 -0.626 7.562 112 1HD2 LEU 12 HD21 LEU 12 11.715 1.115 4.946 113 2HD2 LEU 12 HD23 LEU 12 10.358 0.007 4.763 114 3HD2 LEU 12 HD22 LEU 12 10.809 0.591 6.362 115 H LYS 13 HN LYS 13 11.273 -3.626 5.750 116 HA LYS 13 HA LYS 13 9.226 -4.199 3.683 117 1HB LYS 13 HB2 LYS 13 10.360 -6.244 5.600 118 2HB LYS 13 HB1 LYS 13 8.833 -6.463 4.764 119 1HG LYS 13 HG2 LYS 13 9.997 -6.223 2.590 120 2HG LYS 13 HG1 LYS 13 11.526 -6.012 3.432 121 1HD LYS 13 HD2 LYS 13 11.439 -8.240 4.334 122 2HD LYS 13 HD1 LYS 13 9.771 -8.452 3.812 123 1HE LYS 13 HE2 LYS 13 11.685 -7.733 1.666 124 2HE LYS 13 HE1 LYS 13 11.921 -9.323 2.379 125 1HZ LYS 13 HZ2 LYS 13 9.300 -8.352 1.412 126 2HZ LYS 13 HZ1 LYS 13 10.378 -9.244 0.449 127 3HZ LYS 13 HZ3 LYS 13 9.720 -9.936 1.854 128 H GLY 14 HN GLY 14 7.155 -3.900 4.444 129 1HA GLY 14 HA2 GLY 14 6.699 -3.765 7.356 130 2HA GLY 14 HA1 GLY 14 6.486 -2.252 6.482 131 H GLU 15 HN GLU 15 4.281 -2.600 7.462 132 HA GLU 15 HA GLU 15 2.426 -3.347 5.428 133 1HB GLU 15 HB2 GLU 15 2.805 -5.634 5.861 134 2HB GLU 15 HB1 GLU 15 2.979 -5.370 7.591 135 1HG GLU 15 HG2 GLU 15 0.355 -4.681 6.301 136 2HG GLU 15 HG1 GLU 15 0.726 -6.375 6.604 137 H THR 16 HN THR 16 0.843 -1.931 5.785 138 HA THR 16 HA THR 16 -0.159 -1.559 8.566 139 HB THR 16 HB THR 16 1.548 0.285 7.985 140 HG1 THR 16 HG1 THR 16 -1.210 0.720 8.515 141 1HG2 THR 16 HG21 THR 16 0.228 0.443 5.587 142 2HG2 THR 16 HG23 THR 16 -0.651 1.649 6.524 143 3HG2 THR 16 HG22 THR 16 1.088 1.802 6.303 144 H THR 17 HN THR 17 -2.222 -0.137 8.482 145 HA THR 17 HA THR 17 -3.770 -0.832 6.004 146 HB THR 17 HB THR 17 -5.612 -1.592 7.305 147 HG1 THR 17 HG1 THR 17 -5.765 0.144 8.673 148 1HG2 THR 17 HG23 THR 17 -3.146 -2.742 7.938 149 2HG2 THR 17 HG22 THR 17 -3.788 -2.290 9.510 150 3HG2 THR 17 HG21 THR 17 -4.707 -3.361 8.457 151 H THR 18 HN THR 18 -5.191 0.682 5.244 152 HA THR 18 HA THR 18 -5.509 3.204 6.813 153 HB THR 18 HB THR 18 -3.700 3.294 4.891 154 HG1 THR 18 HG1 THR 18 -4.180 5.283 5.435 155 1HG2 THR 18 HG22 THR 18 -5.610 2.316 3.272 156 2HG2 THR 18 HG21 THR 18 -6.114 4.001 3.245 157 3HG2 THR 18 HG23 THR 18 -4.501 3.555 2.699 158 H GLU 19 HN GLU 19 -7.436 4.330 6.425 159 HA GLU 19 HA GLU 19 -9.606 2.654 5.355 160 1HB GLU 19 HB2 GLU 19 -9.402 4.602 7.373 161 2HB GLU 19 HB1 GLU 19 -10.422 5.320 6.132 162 1HG GLU 19 HG2 GLU 19 -11.772 3.184 6.111 163 2HG GLU 19 HG1 GLU 19 -10.829 2.639 7.495 164 H ALA 20 HN ALA 20 -10.291 2.797 3.318 165 HA ALA 20 HA ALA 20 -10.135 5.417 1.915 166 1HB ALA 20 HB3 ALA 20 -8.585 3.020 1.306 167 2HB ALA 20 HB2 ALA 20 -9.536 3.566 -0.072 168 3HB ALA 20 HB1 ALA 20 -8.388 4.657 0.697 169 H VAL 21 HN VAL 21 -12.039 5.882 1.004 170 HA VAL 21 HA VAL 21 -14.187 3.929 0.959 171 HB VAL 21 HB VAL 21 -14.838 6.185 1.345 172 1HG1 VAL 21 HG12 VAL 21 -13.182 6.769 -1.126 173 2HG1 VAL 21 HG11 VAL 21 -14.311 7.938 -0.447 174 3HG1 VAL 21 HG13 VAL 21 -12.936 7.387 0.505 175 1HG2 VAL 21 HG21 VAL 21 -16.095 4.729 -0.481 176 2HG2 VAL 21 HG23 VAL 21 -16.547 6.412 -0.230 177 3HG2 VAL 21 HG22 VAL 21 -15.502 5.972 -1.577 178 H ASP 22 HN ASP 22 -11.824 5.044 -1.312 179 HA ASP 22 HA ASP 22 -12.913 3.128 -3.312 180 1HB ASP 22 HB2 ASP 22 -12.691 4.717 -5.124 181 2HB ASP 22 HB1 ASP 22 -13.684 5.461 -3.874 182 H ALA 23 HN ALA 23 -11.318 2.518 -4.943 183 HA ALA 23 HA ALA 23 -8.765 1.945 -3.770 184 1HB ALA 23 HB3 ALA 23 -10.014 1.586 -6.455 185 2HB ALA 23 HB2 ALA 23 -8.263 1.444 -6.340 186 3HB ALA 23 HB1 ALA 23 -9.296 0.386 -5.384 187 H ALA 24 HN ALA 24 -9.886 4.482 -5.911 188 HA ALA 24 HA ALA 24 -7.385 5.457 -6.818 189 1HB ALA 24 HB3 ALA 24 -10.021 6.230 -7.096 190 2HB ALA 24 HB2 ALA 24 -9.322 7.564 -6.183 191 3HB ALA 24 HB1 ALA 24 -8.635 7.106 -7.738 192 H THR 25 HN THR 25 -9.296 6.626 -4.045 193 HA THR 25 HA THR 25 -7.266 8.374 -3.061 194 HB THR 25 HB THR 25 -9.847 8.091 -2.380 195 HG1 THR 25 HG1 THR 25 -7.580 8.850 -0.847 196 1HG2 THR 25 HG23 THR 25 -9.176 5.835 -1.196 197 2HG2 THR 25 HG22 THR 25 -8.430 6.888 0.004 198 3HG2 THR 25 HG21 THR 25 -10.161 6.986 -0.300 199 H ALA 26 HN ALA 26 -7.617 4.951 -2.890 200 HA ALA 26 HA ALA 26 -5.921 4.592 -0.546 201 1HB ALA 26 HB1 ALA 26 -7.613 2.906 -1.309 202 2HB ALA 26 HB3 ALA 26 -6.593 2.580 -2.707 203 3HB ALA 26 HB2 ALA 26 -6.004 2.227 -1.086 204 H GLU 27 HN GLU 27 -5.465 4.394 -4.051 205 HA GLU 27 HA GLU 27 -2.796 3.499 -4.109 206 1HB GLU 27 HB2 GLU 27 -4.498 5.158 -5.916 207 2HB GLU 27 HB1 GLU 27 -2.769 5.111 -6.232 208 1HG GLU 27 HG2 GLU 27 -2.850 2.626 -6.270 209 2HG GLU 27 HG1 GLU 27 -4.586 2.692 -5.984 210 H LYS 28 HN LYS 28 -4.031 6.818 -3.822 211 HA LYS 28 HA LYS 28 -1.332 7.932 -3.676 212 1HB LYS 28 HB2 LYS 28 -2.980 9.918 -2.752 213 2HB LYS 28 HB1 LYS 28 -2.607 9.636 -4.449 214 1HG LYS 28 HG2 LYS 28 -4.591 8.284 -4.734 215 2HG LYS 28 HG1 LYS 28 -4.906 8.286 -3.002 216 1HD LYS 28 HD2 LYS 28 -5.933 10.304 -3.103 217 2HD LYS 28 HD1 LYS 28 -4.628 10.996 -4.061 218 1HE LYS 28 HE2 LYS 28 -5.557 10.097 -6.104 219 2HE LYS 28 HE1 LYS 28 -6.742 9.152 -5.213 220 1HZ LYS 28 HZ2 LYS 28 -7.243 11.625 -4.323 221 2HZ LYS 28 HZ1 LYS 28 -6.764 11.950 -5.920 222 3HZ LYS 28 HZ3 LYS 28 -8.057 10.891 -5.620 223 H VAL 29 HN VAL 29 -3.944 7.313 -1.357 224 HA VAL 29 HA VAL 29 -2.790 8.514 0.917 225 HB VAL 29 HB VAL 29 -4.541 6.074 0.624 226 1HG1 VAL 29 HG12 VAL 29 -3.365 7.360 3.092 227 2HG1 VAL 29 HG11 VAL 29 -4.907 6.511 3.160 228 3HG1 VAL 29 HG13 VAL 29 -3.447 5.649 2.686 229 1HG2 VAL 29 HG22 VAL 29 -5.178 8.645 0.236 230 2HG2 VAL 29 HG21 VAL 29 -6.296 7.539 1.029 231 3HG2 VAL 29 HG23 VAL 29 -5.300 8.626 1.992 232 H PHE 30 HN PHE 30 -2.524 5.096 -0.057 233 HA PHE 30 HA PHE 30 -0.562 4.458 1.931 234 1HB PHE 30 HB2 PHE 30 -1.502 3.160 -0.603 235 2HB PHE 30 HB1 PHE 30 -0.036 2.565 0.156 236 HD1 PHE 30 HD1 PHE 30 -0.360 2.397 2.916 237 HD2 PHE 30 HD2 PHE 30 -3.431 1.981 -0.013 238 HE1 PHE 30 HE1 PHE 30 -1.736 1.138 4.518 239 HE2 PHE 30 HE2 PHE 30 -4.769 0.703 1.592 240 HZ PHE 30 HZ PHE 30 -3.919 0.246 3.844 241 H LYS 31 HN LYS 31 -0.257 5.373 -1.489 242 HA LYS 31 HA LYS 31 2.531 5.080 -1.763 243 1HB LYS 31 HB2 LYS 31 1.067 5.654 -3.643 244 2HB LYS 31 HB1 LYS 31 0.775 7.242 -2.941 245 1HG LYS 31 HG2 LYS 31 3.053 7.908 -3.229 246 2HG LYS 31 HG1 LYS 31 3.574 6.263 -3.566 247 1HD LYS 31 HD2 LYS 31 1.647 7.839 -5.318 248 2HD LYS 31 HD1 LYS 31 3.372 7.714 -5.629 249 1HE LYS 31 HE2 LYS 31 2.832 5.868 -6.847 250 2HE LYS 31 HE1 LYS 31 2.649 5.061 -5.296 251 1HZ LYS 31 HZ3 LYS 31 0.319 6.535 -5.947 252 2HZ LYS 31 HZ2 LYS 31 0.708 5.454 -7.196 253 3HZ LYS 31 HZ1 LYS 31 0.487 4.878 -5.614 254 H GLN 32 HN GLN 32 0.693 7.701 -0.295 255 HA GLN 32 HA GLN 32 2.887 9.499 0.075 256 1HB GLN 32 HB2 GLN 32 0.669 10.343 0.413 257 2HB GLN 32 HB1 GLN 32 0.312 9.107 1.611 258 1HG GLN 32 HG2 GLN 32 2.663 10.893 2.112 259 2HG GLN 32 HG1 GLN 32 1.053 11.567 2.347 260 1HE2 GLN 32 HE22 GLN 32 1.652 10.179 5.627 261 2HE2 GLN 32 HE21 GLN 32 1.922 11.579 4.706 262 OH TYR 33 OH TYR 33 5.068 2.582 8.115 263 H TYR 33 HN TYR 33 1.670 6.789 1.955 264 HA TYR 33 HA TYR 33 3.364 7.183 4.245 265 1HB TYR 33 HB2 TYR 33 1.394 5.718 4.334 266 2HB TYR 33 HB1 TYR 33 2.130 4.641 3.154 267 HD1 TYR 33 HD1 TYR 33 4.222 3.400 3.746 268 HD2 TYR 33 HD2 TYR 33 2.062 5.633 6.648 269 HE1 TYR 33 HE1 TYR 33 5.404 2.218 5.533 270 HE2 TYR 33 HE2 TYR 33 3.243 4.447 8.440 271 HH TYR 33 HH TYR 33 5.418 3.237 8.726 272 H ALA 34 HN ALA 34 3.650 4.833 1.589 273 HA ALA 34 HA ALA 34 6.149 3.758 2.151 274 1HB ALA 34 HB2 ALA 34 4.447 3.887 -0.112 275 2HB ALA 34 HB1 ALA 34 6.060 4.327 -0.665 276 3HB ALA 34 HB3 ALA 34 5.798 2.790 0.154 277 H ASN 35 HN ASN 35 5.465 6.847 0.568 278 HA ASN 35 HA ASN 35 8.104 7.559 -0.158 279 1HB ASN 35 HB2 ASN 35 5.985 8.821 -0.727 280 2HB ASN 35 HB1 ASN 35 6.023 9.480 0.906 281 1HD2 ASN 35 HD22 ASN 35 8.108 12.068 -0.231 282 2HD2 ASN 35 HD21 ASN 35 6.719 11.611 0.630 283 H ASP 36 HN ASP 36 6.422 7.899 2.923 284 HA ASP 36 HA ASP 36 8.590 9.325 4.217 285 1HB ASP 36 HB2 ASP 36 6.139 7.881 5.218 286 2HB ASP 36 HB1 ASP 36 7.322 8.560 6.331 287 H ASN 37 HN ASN 37 8.898 6.532 2.880 288 HA ASN 37 HA ASN 37 10.638 5.451 5.041 289 1HB ASN 37 HB2 ASN 37 8.402 4.037 3.632 290 2HB ASN 37 HB1 ASN 37 9.823 3.117 4.122 291 1HD2 ASN 37 HD22 ASN 37 7.102 4.167 6.889 292 2HD2 ASN 37 HD21 ASN 37 6.848 4.373 5.223 293 H GLY 38 HN GLY 38 9.850 5.718 1.647 294 1HA GLY 38 HA2 GLY 38 11.586 5.966 -0.033 295 2HA GLY 38 HA1 GLY 38 12.682 5.064 1.010 296 H VAL 39 HN VAL 39 9.424 4.433 -0.278 297 HA VAL 39 HA VAL 39 10.496 2.018 -1.650 298 HB VAL 39 HB VAL 39 8.006 1.935 0.070 299 1HG1 VAL 39 HG12 VAL 39 9.715 -0.172 -1.299 300 2HG1 VAL 39 HG11 VAL 39 8.389 -0.534 -0.197 301 3HG1 VAL 39 HG13 VAL 39 8.067 0.278 -1.726 302 1HG2 VAL 39 HG21 VAL 39 10.841 1.026 0.685 303 2HG2 VAL 39 HG23 VAL 39 9.955 2.300 1.518 304 3HG2 VAL 39 HG22 VAL 39 9.431 0.626 1.659 305 H ASP 40 HN ASP 40 10.123 2.960 -3.652 306 HA ASP 40 HA ASP 40 7.273 3.055 -4.452 307 1HB ASP 40 HB2 ASP 40 9.100 5.383 -4.331 308 2HB ASP 40 HB1 ASP 40 8.157 5.230 -5.811 309 H GLY 41 HN GLY 41 6.993 2.083 -6.360 310 1HA GLY 41 HA2 GLY 41 8.642 2.315 -8.641 311 2HA GLY 41 HA1 GLY 41 9.187 0.887 -7.766 312 H GLU 42 HN GLU 42 7.630 -0.812 -7.369 313 HA GLU 42 HA GLU 42 5.532 -0.912 -9.500 314 1HB GLU 42 HB2 GLU 42 6.935 -3.120 -7.999 315 2HB GLU 42 HB1 GLU 42 5.695 -3.374 -9.219 316 1HG GLU 42 HG2 GLU 42 7.925 -1.601 -10.046 317 2HG GLU 42 HG1 GLU 42 8.370 -3.285 -9.780 318 CH2 TRP 43 CH2 TRP 43 2.344 2.492 -2.151 319 H TRP 43 HN TRP 43 3.504 -0.709 -8.836 320 HA TRP 43 HA TRP 43 2.863 -1.396 -5.993 321 1HB TRP 43 HB2 TRP 43 1.840 0.710 -7.869 322 2HB TRP 43 HB1 TRP 43 0.886 0.209 -6.483 323 HD1 TRP 43 HD1 TRP 43 4.484 1.388 -7.285 324 HE1 TRP 43 HE1 TRP 43 5.236 2.764 -5.280 325 HE3 TRP 43 HE3 TRP 43 0.560 0.659 -4.320 326 HZ2 TRP 43 HZ2 TRP 43 4.248 3.373 -2.542 327 HZ3 TRP 43 HZ3 TRP 43 0.454 1.513 -2.036 328 HH2 TRP 43 HH2 TRP 43 2.299 2.857 -1.137 329 H THR 44 HN THR 44 1.281 -2.804 -5.573 330 HA THR 44 HA THR 44 -0.331 -3.844 -7.874 331 HB THR 44 HB THR 44 -0.257 -6.066 -6.494 332 HG1 THR 44 HG1 THR 44 2.157 -5.096 -5.551 333 1HG2 THR 44 HG21 THR 44 1.783 -4.838 -8.227 334 2HG2 THR 44 HG23 THR 44 2.463 -6.019 -7.113 335 3HG2 THR 44 HG22 THR 44 1.187 -6.494 -8.228 336 OH TYR 45 OH TYR 45 -8.855 -1.224 -3.149 337 H TYR 45 HN TYR 45 -2.357 -4.893 -7.214 338 HA TYR 45 HA TYR 45 -3.498 -3.861 -4.653 339 1HB TYR 45 HB2 TYR 45 -4.014 -2.402 -6.739 340 2HB TYR 45 HB1 TYR 45 -5.026 -3.747 -7.272 341 HD1 TYR 45 HD1 TYR 45 -6.545 -4.642 -4.964 342 HD2 TYR 45 HD2 TYR 45 -5.300 -0.684 -5.885 343 HE1 TYR 45 HE1 TYR 45 -8.312 -3.758 -3.542 344 HE2 TYR 45 HE2 TYR 45 -7.122 0.201 -4.511 345 HH TYR 45 HH TYR 45 -8.481 -0.573 -2.550 346 H ASP 46 HN ASP 46 -4.510 -5.461 -3.592 347 HA ASP 46 HA ASP 46 -5.291 -7.915 -5.125 348 1HB ASP 46 HB2 ASP 46 -3.509 -8.029 -3.260 349 2HB ASP 46 HB1 ASP 46 -4.852 -7.796 -2.146 350 H ASP 47 HN ASP 47 -7.344 -6.891 -5.649 351 HA ASP 47 HA ASP 47 -9.170 -6.059 -3.568 352 1HB ASP 47 HB2 ASP 47 -9.351 -5.319 -5.940 353 2HB ASP 47 HB1 ASP 47 -9.808 -6.960 -6.390 354 H ALA 48 HN ALA 48 -8.164 -9.104 -4.696 355 HA ALA 48 HA ALA 48 -10.560 -10.623 -4.250 356 1HB ALA 48 HB1 ALA 48 -8.568 -11.467 -5.493 357 2HB ALA 48 HB3 ALA 48 -7.687 -11.545 -3.970 358 3HB ALA 48 HB2 ALA 48 -9.093 -12.573 -4.227 359 H THR 49 HN THR 49 -8.259 -9.198 -2.123 360 HA THR 49 HA THR 49 -9.753 -10.321 0.189 361 HB THR 49 HB THR 49 -7.623 -10.876 1.371 362 HG1 THR 49 HG1 THR 49 -6.029 -10.772 -0.760 363 1HG2 THR 49 HG22 THR 49 -8.642 -12.635 -0.172 364 2HG2 THR 49 HG21 THR 49 -7.580 -12.035 -1.443 365 3HG2 THR 49 HG23 THR 49 -6.896 -12.766 0.006 366 H LYS 50 HN LYS 50 -9.026 -7.680 -1.346 367 HA LYS 50 HA LYS 50 -8.736 -5.431 -0.762 368 1HB LYS 50 HB2 LYS 50 -9.705 -6.420 1.932 369 2HB LYS 50 HB1 LYS 50 -9.714 -4.750 1.381 370 1HG LYS 50 HG2 LYS 50 -11.635 -5.062 0.227 371 2HG LYS 50 HG1 LYS 50 -10.999 -6.503 -0.559 372 1HD LYS 50 HD2 LYS 50 -12.969 -7.059 0.828 373 2HD LYS 50 HD1 LYS 50 -11.521 -7.836 1.460 374 1HE LYS 50 HE2 LYS 50 -11.631 -6.669 3.401 375 2HE LYS 50 HE1 LYS 50 -11.893 -5.149 2.557 376 1HZ LYS 50 HZ3 LYS 50 -14.221 -6.563 2.238 377 2HZ LYS 50 HZ2 LYS 50 -13.774 -6.831 3.854 378 3HZ LYS 50 HZ1 LYS 50 -13.964 -5.245 3.277 379 H THR 51 HN THR 51 -6.387 -6.387 -0.931 380 HA THR 51 HA THR 51 -4.940 -5.406 1.488 381 HB THR 51 HB THR 51 -4.641 -8.118 0.163 382 HG1 THR 51 HG1 THR 51 -4.259 -7.940 2.784 383 1HG2 THR 51 HG22 THR 51 -2.611 -6.715 1.949 384 2HG2 THR 51 HG21 THR 51 -2.557 -8.407 1.485 385 3HG2 THR 51 HG23 THR 51 -2.324 -7.156 0.273 386 H PHE 52 HN PHE 52 -3.652 -3.762 0.802 387 HA PHE 52 HA PHE 52 -2.938 -3.549 -2.022 388 1HB PHE 52 HB2 PHE 52 -2.986 -1.809 0.285 389 2HB PHE 52 HB1 PHE 52 -1.460 -1.670 -0.579 390 HD1 PHE 52 HD1 PHE 52 -1.464 -1.030 -3.022 391 HD2 PHE 52 HD2 PHE 52 -5.041 -1.124 -0.748 392 HE1 PHE 52 HE1 PHE 52 -2.629 0.268 -4.767 393 HE2 PHE 52 HE2 PHE 52 -6.154 0.283 -2.400 394 HZ PHE 52 HZ PHE 52 -4.936 1.013 -4.397 395 H THR 53 HN THR 53 -0.660 -3.354 -2.713 396 HA THR 53 HA THR 53 1.400 -4.321 -0.868 397 HB THR 53 HB THR 53 0.548 -6.032 -3.233 398 HG1 THR 53 HG1 THR 53 -0.668 -6.049 -1.221 399 1HG2 THR 53 HG22 THR 53 2.943 -6.016 -1.410 400 2HG2 THR 53 HG21 THR 53 2.240 -7.571 -1.843 401 3HG2 THR 53 HG23 THR 53 2.851 -6.500 -3.100 402 H VAL 54 HN VAL 54 3.417 -3.723 -1.502 403 HA VAL 54 HA VAL 54 3.799 -2.788 -4.301 404 HB VAL 54 HB VAL 54 3.170 -0.813 -2.883 405 1HG1 VAL 54 HG11 VAL 54 4.185 -1.758 -0.792 406 2HG1 VAL 54 HG13 VAL 54 5.777 -1.392 -1.450 407 3HG1 VAL 54 HG12 VAL 54 4.642 -0.091 -1.110 408 1HG2 VAL 54 HG23 VAL 54 6.006 -0.947 -3.950 409 2HG2 VAL 54 HG22 VAL 54 4.580 -0.355 -4.783 410 3HG2 VAL 54 HG21 VAL 54 5.247 0.543 -3.429 411 H THR 55 HN THR 55 5.982 -2.825 -4.953 412 HA THR 55 HA THR 55 7.950 -3.961 -3.037 413 HB THR 55 HB THR 55 7.298 -5.278 -5.710 414 HG1 THR 55 HG1 THR 55 5.831 -6.071 -4.379 415 1HG2 THR 55 HG21 THR 55 9.518 -5.519 -3.752 416 2HG2 THR 55 HG23 THR 55 8.723 -7.038 -4.153 417 3HG2 THR 55 HG22 THR 55 9.449 -6.061 -5.423 418 H GLU 56 HN GLU 56 9.766 -2.800 -3.221 419 HA GLU 56 HA GLU 56 10.206 -0.930 -5.364 420 1HB GLU 56 HB2 GLU 56 11.290 -1.373 -2.839 421 2HB GLU 56 HB1 GLU 56 12.632 -1.688 -3.930 422 1HG GLU 56 HG2 GLU 56 10.896 0.808 -3.906 423 2HG GLU 56 HG1 GLU 56 12.562 0.703 -3.346 Start of MODEL 27 Raw file had 423 H/Q atoms Entry Start of MODEL 27 1 1H MET 1 HT3 MET 1 -13.559 2.097 4.520 2 2H MET 1 HT2 MET 1 -13.706 2.455 2.866 3 3H MET 1 HT1 MET 1 -14.915 1.557 3.651 4 HA MET 1 HA MET 1 -13.615 -0.336 3.813 5 1HB MET 1 HB2 MET 1 -12.702 0.931 1.218 6 2HB MET 1 HB1 MET 1 -12.854 -0.789 1.561 7 1HG MET 1 HG2 MET 1 -14.971 -0.708 0.865 8 2HG MET 1 HG1 MET 1 -15.340 0.323 2.221 9 1HE MET 1 HE1 MET 1 -17.149 0.153 -0.060 10 2HE MET 1 HE3 MET 1 -16.964 1.259 -1.422 11 3HE MET 1 HE2 MET 1 -15.940 -0.173 -1.302 12 H THR 2 HN THR 2 -11.767 -1.149 4.590 13 HA THR 2 HA THR 2 -9.310 0.561 4.444 14 HB THR 2 HB THR 2 -9.778 -1.409 6.686 15 HG1 THR 2 HG1 THR 2 -11.606 0.014 6.392 16 1HG2 THR 2 HG22 THR 2 -7.622 0.102 6.196 17 2HG2 THR 2 HG21 THR 2 -8.631 1.363 6.898 18 3HG2 THR 2 HG23 THR 2 -8.231 -0.070 7.838 19 OH TYR 3 OH TYR 3 -11.269 0.592 -1.085 20 H TYR 3 HN TYR 3 -7.761 -0.327 3.244 21 HA TYR 3 HA TYR 3 -7.804 -3.278 2.818 22 1HB TYR 3 HB2 TYR 3 -5.996 -1.360 1.366 23 2HB TYR 3 HB1 TYR 3 -6.611 -2.916 0.823 24 HD1 TYR 3 HD1 TYR 3 -7.527 0.614 1.460 25 HD2 TYR 3 HD2 TYR 3 -8.803 -3.096 -0.182 26 HE1 TYR 3 HE1 TYR 3 -9.429 1.738 0.400 27 HE2 TYR 3 HE2 TYR 3 -10.709 -1.973 -1.235 28 HH TYR 3 HH TYR 3 -12.059 0.082 -0.893 29 H LYS 4 HN LYS 4 -5.408 -4.118 2.439 30 HA LYS 4 HA LYS 4 -3.754 -3.177 4.755 31 1HB LYS 4 HB2 LYS 4 -4.938 -5.370 5.128 32 2HB LYS 4 HB1 LYS 4 -4.034 -6.027 3.784 33 1HG LYS 4 HG2 LYS 4 -2.032 -6.048 4.941 34 2HG LYS 4 HG1 LYS 4 -2.461 -4.661 5.932 35 1HD LYS 4 HD2 LYS 4 -4.045 -6.040 7.215 36 2HD LYS 4 HD1 LYS 4 -3.680 -7.428 6.196 37 1HE LYS 4 HE2 LYS 4 -1.606 -5.946 7.841 38 2HE LYS 4 HE1 LYS 4 -2.414 -7.413 8.375 39 1HZ LYS 4 HZ3 LYS 4 -1.018 -7.327 5.783 40 2HZ LYS 4 HZ2 LYS 4 -0.159 -7.609 7.222 41 3HZ LYS 4 HZ1 LYS 4 -1.397 -8.672 6.750 42 H LEU 5 HN LEU 5 -1.936 -2.299 3.976 43 HA LEU 5 HA LEU 5 -0.934 -3.049 1.333 44 1HB LEU 5 HB2 LEU 5 -0.793 -0.718 1.921 45 2HB LEU 5 HB1 LEU 5 -0.008 -1.080 3.448 46 HG LEU 5 HG LEU 5 1.995 -1.948 2.119 47 1HD1 LEU 5 HD13 LEU 5 0.461 -0.689 -0.178 48 2HD1 LEU 5 HD12 LEU 5 2.125 -1.250 -0.258 49 3HD1 LEU 5 HD11 LEU 5 0.823 -2.403 -0.014 50 1HD2 LEU 5 HD21 LEU 5 1.757 0.402 3.055 51 2HD2 LEU 5 HD23 LEU 5 2.872 0.238 1.703 52 3HD2 LEU 5 HD22 LEU 5 1.265 0.901 1.442 53 H ILE 6 HN ILE 6 1.107 -3.925 0.905 54 HA ILE 6 HA ILE 6 2.496 -5.238 3.155 55 HB ILE 6 HB ILE 6 1.843 -6.386 0.442 56 1HG1 ILE 6 HG12 ILE 6 1.350 -7.640 3.138 57 2HG1 ILE 6 HG11 ILE 6 0.234 -6.432 2.518 58 1HG2 ILE 6 HG21 ILE 6 4.016 -6.979 2.370 59 2HG2 ILE 6 HG23 ILE 6 3.118 -8.384 1.812 60 3HG2 ILE 6 HG22 ILE 6 3.918 -7.335 0.650 61 1HD1 ILE 6 HD3 ILE 6 1.071 -8.767 0.797 62 2HD1 ILE 6 HD2 ILE 6 -0.240 -8.931 1.959 63 3HD1 ILE 6 HD1 ILE 6 -0.358 -7.756 0.657 64 H LEU 7 HN LEU 7 4.266 -3.990 3.316 65 HA LEU 7 HA LEU 7 5.539 -2.823 0.968 66 1HB LEU 7 HB2 LEU 7 6.153 -2.831 3.909 67 2HB LEU 7 HB1 LEU 7 7.279 -2.144 2.742 68 HG LEU 7 HG LEU 7 4.421 -1.341 2.476 69 1HD1 LEU 7 HD11 LEU 7 6.241 -0.421 4.725 70 2HD1 LEU 7 HD13 LEU 7 4.788 0.441 4.228 71 3HD1 LEU 7 HD12 LEU 7 4.663 -1.185 4.889 72 1HD2 LEU 7 HD23 LEU 7 6.445 -0.579 1.069 73 2HD2 LEU 7 HD22 LEU 7 5.396 0.690 1.695 74 3HD2 LEU 7 HD21 LEU 7 6.932 0.347 2.486 75 H ASN 8 HN ASN 8 6.767 -3.992 -0.357 76 HA ASN 8 HA ASN 8 8.420 -6.186 0.814 77 1HB ASN 8 HB2 ASN 8 6.905 -5.846 -1.651 78 2HB ASN 8 HB1 ASN 8 8.552 -6.349 -1.974 79 1HD2 ASN 8 HD22 ASN 8 6.005 -9.101 -0.884 80 2HD2 ASN 8 HD21 ASN 8 5.637 -7.645 -1.664 81 H GLY 9 HN GLY 9 9.249 -3.538 1.207 82 1HA GLY 9 HA2 GLY 9 10.985 -2.434 -0.709 83 2HA GLY 9 HA1 GLY 9 11.224 -2.269 1.022 84 H LYS 10 HN LYS 10 13.042 -2.818 -1.350 85 HA LYS 10 HA LYS 10 14.092 -5.469 -1.120 86 1HB LYS 10 HB2 LYS 10 16.230 -4.287 -2.024 87 2HB LYS 10 HB1 LYS 10 14.792 -4.306 -3.038 88 1HG LYS 10 HG2 LYS 10 14.311 -2.056 -2.629 89 2HG LYS 10 HG1 LYS 10 15.174 -2.045 -1.095 90 1HD LYS 10 HD2 LYS 10 17.323 -2.184 -2.268 91 2HD LYS 10 HD1 LYS 10 16.496 -2.300 -3.817 92 1HE LYS 10 HE2 LYS 10 15.540 -0.005 -2.318 93 2HE LYS 10 HE1 LYS 10 17.287 0.063 -2.503 94 1HZ LYS 10 HZ2 LYS 10 15.403 -0.415 -4.739 95 2HZ LYS 10 HZ1 LYS 10 16.041 1.107 -4.338 96 3HZ LYS 10 HZ3 LYS 10 17.075 -0.140 -4.849 97 H THR 11 HN THR 11 14.386 -2.657 0.828 98 HA THR 11 HA THR 11 16.277 -4.111 2.611 99 HB THR 11 HB THR 11 17.055 -1.581 3.077 100 HG1 THR 11 HG1 THR 11 15.358 -1.471 1.065 101 1HG2 THR 11 HG22 THR 11 17.858 -3.464 0.861 102 2HG2 THR 11 HG21 THR 11 18.595 -1.867 0.952 103 3HG2 THR 11 HG23 THR 11 18.782 -3.000 2.287 104 H LEU 12 HN LEU 12 13.265 -2.879 2.269 105 HA LEU 12 HA LEU 12 12.966 -2.632 5.208 106 1HB LEU 12 HB2 LEU 12 13.435 -0.326 4.228 107 2HB LEU 12 HB1 LEU 12 11.883 -0.461 3.409 108 HG LEU 12 HG LEU 12 11.062 -1.130 5.869 109 1HD1 LEU 12 HD13 LEU 12 13.356 -0.990 6.823 110 2HD1 LEU 12 HD12 LEU 12 13.443 0.700 6.340 111 3HD1 LEU 12 HD11 LEU 12 12.280 0.191 7.561 112 1HD2 LEU 12 HD22 LEU 12 11.499 1.548 4.576 113 2HD2 LEU 12 HD21 LEU 12 9.988 0.698 4.884 114 3HD2 LEU 12 HD23 LEU 12 10.840 1.487 6.207 115 H LYS 13 HN LYS 13 11.612 -4.368 5.326 116 HA LYS 13 HA LYS 13 9.222 -4.411 3.557 117 1HB LYS 13 HB2 LYS 13 10.264 -6.503 5.478 118 2HB LYS 13 HB1 LYS 13 8.908 -6.710 4.378 119 1HG LYS 13 HG2 LYS 13 10.294 -7.160 2.650 120 2HG LYS 13 HG1 LYS 13 11.232 -5.703 2.957 121 1HD LYS 13 HD2 LYS 13 12.490 -6.873 4.728 122 2HD LYS 13 HD1 LYS 13 11.538 -8.327 4.456 123 1HE LYS 13 HE2 LYS 13 12.931 -8.934 2.790 124 2HE LYS 13 HE1 LYS 13 12.551 -7.450 1.926 125 1HZ LYS 13 HZ2 LYS 13 14.287 -6.838 4.036 126 2HZ LYS 13 HZ1 LYS 13 14.938 -8.150 3.176 127 3HZ LYS 13 HZ3 LYS 13 14.564 -6.705 2.366 128 H GLY 14 HN GLY 14 7.109 -4.568 4.432 129 1HA GLY 14 HA2 GLY 14 6.571 -4.530 7.257 130 2HA GLY 14 HA1 GLY 14 6.533 -2.889 6.622 131 H GLU 15 HN GLU 15 4.254 -3.049 7.347 132 HA GLU 15 HA GLU 15 2.484 -3.440 5.137 133 1HB GLU 15 HB2 GLU 15 1.142 -5.322 6.320 134 2HB GLU 15 HB1 GLU 15 2.588 -5.779 5.428 135 1HG GLU 15 HG2 GLU 15 3.771 -6.281 7.336 136 2HG GLU 15 HG1 GLU 15 2.987 -5.014 8.278 137 H THR 16 HN THR 16 0.721 -2.192 5.500 138 HA THR 16 HA THR 16 -0.250 -1.797 8.264 139 HB THR 16 HB THR 16 1.524 -0.028 7.932 140 HG1 THR 16 HG1 THR 16 -1.155 0.219 8.449 141 1HG2 THR 16 HG22 THR 16 0.456 0.184 5.366 142 2HG2 THR 16 HG21 THR 16 -0.270 1.549 6.207 143 3HG2 THR 16 HG23 THR 16 1.482 1.394 6.127 144 H THR 17 HN THR 17 -2.342 -0.820 8.356 145 HA THR 17 HA THR 17 -3.833 -1.092 5.784 146 HB THR 17 HB THR 17 -5.733 -1.761 7.054 147 HG1 THR 17 HG1 THR 17 -4.400 -0.816 9.367 148 1HG2 THR 17 HG21 THR 17 -3.810 -3.406 7.378 149 2HG2 THR 17 HG23 THR 17 -3.424 -2.553 8.868 150 3HG2 THR 17 HG22 THR 17 -4.967 -3.386 8.704 151 H THR 18 HN THR 18 -5.075 0.545 5.007 152 HA THR 18 HA THR 18 -5.164 3.080 6.608 153 HB THR 18 HB THR 18 -3.497 2.997 4.560 154 HG1 THR 18 HG1 THR 18 -5.332 5.067 4.339 155 1HG2 THR 18 HG21 THR 18 -5.574 2.163 3.092 156 2HG2 THR 18 HG23 THR 18 -5.974 3.877 3.094 157 3HG2 THR 18 HG22 THR 18 -4.437 3.331 2.429 158 H GLU 19 HN GLU 19 -7.025 4.317 6.401 159 HA GLU 19 HA GLU 19 -9.347 2.860 5.245 160 1HB GLU 19 HB2 GLU 19 -9.174 3.839 7.682 161 2HB GLU 19 HB1 GLU 19 -9.602 5.351 6.891 162 1HG GLU 19 HG2 GLU 19 -11.563 4.148 5.834 163 2HG GLU 19 HG1 GLU 19 -11.179 2.756 6.844 164 H ALA 20 HN ALA 20 -10.027 3.451 3.293 165 HA ALA 20 HA ALA 20 -9.862 6.339 2.529 166 1HB ALA 20 HB1 ALA 20 -8.421 4.175 1.354 167 2HB ALA 20 HB3 ALA 20 -9.629 4.710 0.190 168 3HB ALA 20 HB2 ALA 20 -8.460 5.859 0.836 169 H VAL 21 HN VAL 21 -11.247 6.670 0.447 170 HA VAL 21 HA VAL 21 -13.889 5.466 1.045 171 HB VAL 21 HB VAL 21 -13.821 7.896 0.881 172 1HG1 VAL 21 HG12 VAL 21 -11.837 8.049 -0.596 173 2HG1 VAL 21 HG11 VAL 21 -12.788 7.412 -1.933 174 3HG1 VAL 21 HG13 VAL 21 -13.181 8.983 -1.244 175 1HG2 VAL 21 HG21 VAL 21 -15.762 6.498 -0.102 176 2HG2 VAL 21 HG23 VAL 21 -15.652 8.179 -0.614 177 3HG2 VAL 21 HG22 VAL 21 -15.086 6.896 -1.678 178 H ASP 22 HN ASP 22 -11.339 5.172 -1.198 179 HA ASP 22 HA ASP 22 -12.803 3.117 -2.662 180 1HB ASP 22 HB2 ASP 22 -12.699 4.166 -4.866 181 2HB ASP 22 HB1 ASP 22 -13.613 5.197 -3.768 182 H ALA 23 HN ALA 23 -11.335 2.582 -4.756 183 HA ALA 23 HA ALA 23 -8.789 1.754 -3.631 184 1HB ALA 23 HB1 ALA 23 -10.159 1.429 -6.279 185 2HB ALA 23 HB3 ALA 23 -8.448 1.042 -6.139 186 3HB ALA 23 HB2 ALA 23 -9.626 0.193 -5.145 187 H ALA 24 HN ALA 24 -9.837 4.268 -5.851 188 HA ALA 24 HA ALA 24 -7.311 4.995 -6.918 189 1HB ALA 24 HB1 ALA 24 -9.717 5.880 -7.459 190 2HB ALA 24 HB3 ALA 24 -9.356 7.081 -6.223 191 3HB ALA 24 HB2 ALA 24 -8.340 6.960 -7.656 192 H THR 25 HN THR 25 -9.012 6.559 -4.206 193 HA THR 25 HA THR 25 -6.749 8.096 -3.387 194 HB THR 25 HB THR 25 -8.798 8.876 -2.475 195 HG1 THR 25 HG1 THR 25 -8.441 8.473 -0.231 196 1HG2 THR 25 HG23 THR 25 -9.351 5.989 -2.239 197 2HG2 THR 25 HG22 THR 25 -9.812 6.896 -0.805 198 3HG2 THR 25 HG21 THR 25 -10.489 7.322 -2.374 199 H ALA 26 HN ALA 26 -7.566 4.769 -2.917 200 HA ALA 26 HA ALA 26 -5.917 4.349 -0.572 201 1HB ALA 26 HB3 ALA 26 -7.713 2.765 -1.359 202 2HB ALA 26 HB2 ALA 26 -6.655 2.315 -2.692 203 3HB ALA 26 HB1 ALA 26 -6.169 1.983 -1.033 204 H GLU 27 HN GLU 27 -5.394 4.139 -4.056 205 HA GLU 27 HA GLU 27 -2.733 3.098 -3.970 206 1HB GLU 27 HB2 GLU 27 -4.164 4.839 -5.991 207 2HB GLU 27 HB1 GLU 27 -2.558 4.179 -6.256 208 1HG GLU 27 HG2 GLU 27 -3.510 1.883 -5.836 209 2HG GLU 27 HG1 GLU 27 -5.110 2.615 -5.797 210 H LYS 28 HN LYS 28 -4.069 6.301 -3.654 211 HA LYS 28 HA LYS 28 -1.457 7.632 -3.777 212 1HB LYS 28 HB2 LYS 28 -3.790 8.555 -4.475 213 2HB LYS 28 HB1 LYS 28 -3.997 8.880 -2.759 214 1HG LYS 28 HG2 LYS 28 -1.868 10.175 -2.775 215 2HG LYS 28 HG1 LYS 28 -1.734 9.896 -4.507 216 1HD LYS 28 HD2 LYS 28 -2.945 11.809 -4.736 217 2HD LYS 28 HD1 LYS 28 -4.327 10.836 -4.245 218 1HE LYS 28 HE2 LYS 28 -4.256 12.767 -2.793 219 2HE LYS 28 HE1 LYS 28 -3.745 11.377 -1.842 220 1HZ LYS 28 HZ2 LYS 28 -1.909 13.295 -3.166 221 2HZ LYS 28 HZ1 LYS 28 -2.319 13.315 -1.519 222 3HZ LYS 28 HZ3 LYS 28 -1.461 11.999 -2.164 223 H VAL 29 HN VAL 29 -3.925 7.086 -1.284 224 HA VAL 29 HA VAL 29 -2.639 8.297 0.891 225 HB VAL 29 HB VAL 29 -4.436 5.878 0.738 226 1HG1 VAL 29 HG12 VAL 29 -3.016 7.115 3.079 227 2HG1 VAL 29 HG11 VAL 29 -4.652 6.505 3.305 228 3HG1 VAL 29 HG13 VAL 29 -3.375 5.419 2.768 229 1HG2 VAL 29 HG21 VAL 29 -5.086 8.412 0.299 230 2HG2 VAL 29 HG23 VAL 29 -6.146 7.380 1.254 231 3HG2 VAL 29 HG22 VAL 29 -5.054 8.504 2.057 232 H PHE 30 HN PHE 30 -2.425 4.875 -0.075 233 HA PHE 30 HA PHE 30 -0.432 4.201 1.862 234 1HB PHE 30 HB2 PHE 30 -1.392 2.962 -0.696 235 2HB PHE 30 HB1 PHE 30 0.072 2.339 0.050 236 HD1 PHE 30 HD1 PHE 30 -0.221 2.107 2.787 237 HD2 PHE 30 HD2 PHE 30 -3.352 1.838 -0.095 238 HE1 PHE 30 HE1 PHE 30 -1.599 0.851 4.387 239 HE2 PHE 30 HE2 PHE 30 -4.701 0.562 1.506 240 HZ PHE 30 HZ PHE 30 -3.823 0.048 3.737 241 H LYS 31 HN LYS 31 -0.187 5.278 -1.501 242 HA LYS 31 HA LYS 31 2.636 5.019 -1.762 243 1HB LYS 31 HB2 LYS 31 1.105 5.493 -3.657 244 2HB LYS 31 HB1 LYS 31 0.839 7.112 -3.017 245 1HG LYS 31 HG2 LYS 31 3.212 7.646 -3.266 246 2HG LYS 31 HG1 LYS 31 3.560 5.998 -3.775 247 1HD LYS 31 HD2 LYS 31 1.877 6.394 -5.678 248 2HD LYS 31 HD1 LYS 31 1.955 8.098 -5.249 249 1HE LYS 31 HE2 LYS 31 4.574 7.668 -5.371 250 2HE LYS 31 HE1 LYS 31 4.086 6.335 -6.409 251 1HZ LYS 31 HZ3 LYS 31 2.730 8.775 -7.033 252 2HZ LYS 31 HZ2 LYS 31 4.416 8.915 -7.177 253 3HZ LYS 31 HZ1 LYS 31 3.587 7.717 -8.050 254 H GLN 32 HN GLN 32 0.641 7.600 -0.442 255 HA GLN 32 HA GLN 32 2.729 9.511 -0.059 256 1HB GLN 32 HB2 GLN 32 0.178 9.837 0.164 257 2HB GLN 32 HB1 GLN 32 0.356 9.178 1.785 258 1HG GLN 32 HG2 GLN 32 1.975 11.541 0.772 259 2HG GLN 32 HG1 GLN 32 0.465 11.713 1.659 260 1HE2 GLN 32 HE22 GLN 32 3.509 11.657 3.968 261 2HE2 GLN 32 HE21 GLN 32 3.233 12.489 2.515 262 OH TYR 33 OH TYR 33 4.906 3.002 8.301 263 H TYR 33 HN TYR 33 1.694 6.714 1.740 264 HA TYR 33 HA TYR 33 3.247 7.313 4.119 265 1HB TYR 33 HB2 TYR 33 1.294 5.822 4.224 266 2HB TYR 33 HB1 TYR 33 2.090 4.695 3.130 267 HD1 TYR 33 HD1 TYR 33 4.230 3.578 3.864 268 HD2 TYR 33 HD2 TYR 33 1.843 5.843 6.557 269 HE1 TYR 33 HE1 TYR 33 5.378 2.534 5.757 270 HE2 TYR 33 HE2 TYR 33 2.989 4.794 8.454 271 HH TYR 33 HH TYR 33 5.770 3.412 8.389 272 H ALA 34 HN ALA 34 3.617 4.807 1.624 273 HA ALA 34 HA ALA 34 6.137 3.842 2.304 274 1HB ALA 34 HB2 ALA 34 4.458 3.780 -0.006 275 2HB ALA 34 HB1 ALA 34 6.105 4.112 -0.536 276 3HB ALA 34 HB3 ALA 34 5.761 2.674 0.421 277 H ASN 35 HN ASN 35 5.333 6.966 1.146 278 HA ASN 35 HA ASN 35 7.938 7.644 0.065 279 1HB ASN 35 HB2 ASN 35 5.881 8.873 -0.559 280 2HB ASN 35 HB1 ASN 35 5.743 9.461 1.095 281 1HD2 ASN 35 HD22 ASN 35 8.688 11.577 0.775 282 2HD2 ASN 35 HD21 ASN 35 7.963 10.521 1.890 283 H ASP 36 HN ASP 36 6.305 8.304 3.147 284 HA ASP 36 HA ASP 36 8.407 9.783 4.357 285 1HB ASP 36 HB2 ASP 36 6.043 8.267 5.311 286 2HB ASP 36 HB1 ASP 36 7.312 8.547 6.500 287 H ASN 37 HN ASN 37 8.350 6.567 3.387 288 HA ASN 37 HA ASN 37 10.477 5.797 5.344 289 1HB ASN 37 HB2 ASN 37 8.858 4.018 3.505 290 2HB ASN 37 HB1 ASN 37 9.971 3.485 4.762 291 1HD2 ASN 37 HD22 ASN 37 6.425 5.220 5.941 292 2HD2 ASN 37 HD21 ASN 37 7.134 5.703 4.477 293 H GLY 38 HN GLY 38 9.641 5.352 1.923 294 1HA GLY 38 HA2 GLY 38 11.411 6.217 0.298 295 2HA GLY 38 HA1 GLY 38 12.571 5.349 1.295 296 H VAL 39 HN VAL 39 9.365 4.484 0.027 297 HA VAL 39 HA VAL 39 10.635 2.183 -1.405 298 HB VAL 39 HB VAL 39 8.079 2.115 0.224 299 1HG1 VAL 39 HG11 VAL 39 9.202 0.390 -1.887 300 2HG1 VAL 39 HG13 VAL 39 8.793 -0.477 -0.412 301 3HG1 VAL 39 HG12 VAL 39 7.561 0.457 -1.254 302 1HG2 VAL 39 HG21 VAL 39 10.309 2.098 1.468 303 2HG2 VAL 39 HG23 VAL 39 9.293 0.686 1.735 304 3HG2 VAL 39 HG22 VAL 39 10.666 0.587 0.637 305 H ASP 40 HN ASP 40 10.416 2.925 -3.463 306 HA ASP 40 HA ASP 40 7.627 3.326 -4.428 307 1HB ASP 40 HB2 ASP 40 9.948 5.217 -4.764 308 2HB ASP 40 HB1 ASP 40 8.625 5.189 -5.926 309 H GLY 41 HN GLY 41 7.236 2.147 -6.184 310 1HA GLY 41 HA2 GLY 41 9.043 1.825 -8.378 311 2HA GLY 41 HA1 GLY 41 9.132 0.395 -7.351 312 H GLU 42 HN GLU 42 7.630 -1.143 -7.623 313 HA GLU 42 HA GLU 42 5.435 -0.602 -9.551 314 1HB GLU 42 HB2 GLU 42 6.359 -3.222 -8.364 315 2HB GLU 42 HB1 GLU 42 5.234 -3.029 -9.699 316 1HG GLU 42 HG2 GLU 42 8.099 -2.022 -9.735 317 2HG GLU 42 HG1 GLU 42 7.579 -3.546 -10.451 318 CH2 TRP 43 CH2 TRP 43 2.055 2.438 -2.325 319 H TRP 43 HN TRP 43 3.271 -1.034 -9.046 320 HA TRP 43 HA TRP 43 2.683 -1.450 -6.137 321 1HB TRP 43 HB2 TRP 43 1.656 0.619 -8.047 322 2HB TRP 43 HB1 TRP 43 0.679 0.125 -6.675 323 HD1 TRP 43 HD1 TRP 43 4.258 1.373 -7.435 324 HE1 TRP 43 HE1 TRP 43 4.987 2.721 -5.408 325 HE3 TRP 43 HE3 TRP 43 0.315 0.574 -4.508 326 HZ2 TRP 43 HZ2 TRP 43 3.961 3.322 -2.691 327 HZ3 TRP 43 HZ3 TRP 43 0.168 1.449 -2.231 328 HH2 TRP 43 HH2 TRP 43 1.989 2.818 -1.317 329 H THR 44 HN THR 44 1.158 -2.910 -5.676 330 HA THR 44 HA THR 44 -0.503 -3.959 -7.947 331 HB THR 44 HB THR 44 -0.348 -6.206 -6.642 332 HG1 THR 44 HG1 THR 44 1.851 -5.917 -5.476 333 1HG2 THR 44 HG22 THR 44 1.441 -5.069 -8.537 334 2HG2 THR 44 HG21 THR 44 2.457 -5.716 -7.255 335 3HG2 THR 44 HG23 THR 44 1.326 -6.770 -8.098 336 OH TYR 45 OH TYR 45 -8.884 -1.434 -3.008 337 H TYR 45 HN TYR 45 -2.474 -5.078 -7.232 338 HA TYR 45 HA TYR 45 -3.583 -4.066 -4.650 339 1HB TYR 45 HB2 TYR 45 -4.160 -2.632 -6.740 340 2HB TYR 45 HB1 TYR 45 -5.177 -3.991 -7.220 341 HD1 TYR 45 HD1 TYR 45 -6.609 -4.867 -4.845 342 HD2 TYR 45 HD2 TYR 45 -5.429 -0.916 -5.866 343 HE1 TYR 45 HE1 TYR 45 -8.341 -3.972 -3.377 344 HE2 TYR 45 HE2 TYR 45 -7.200 -0.022 -4.442 345 HH TYR 45 HH TYR 45 -8.668 -0.521 -2.807 346 H ASP 46 HN ASP 46 -4.515 -5.699 -3.571 347 HA ASP 46 HA ASP 46 -5.226 -8.178 -5.077 348 1HB ASP 46 HB2 ASP 46 -3.597 -8.167 -3.062 349 2HB ASP 46 HB1 ASP 46 -5.042 -7.950 -2.083 350 H ASP 47 HN ASP 47 -7.201 -6.922 -5.754 351 HA ASP 47 HA ASP 47 -9.204 -6.170 -3.846 352 1HB ASP 47 HB2 ASP 47 -9.173 -5.423 -6.226 353 2HB ASP 47 HB1 ASP 47 -9.613 -7.059 -6.713 354 H ALA 48 HN ALA 48 -7.956 -9.119 -4.251 355 HA ALA 48 HA ALA 48 -10.482 -10.640 -4.177 356 1HB ALA 48 HB1 ALA 48 -8.372 -11.417 -5.384 357 2HB ALA 48 HB3 ALA 48 -7.689 -11.723 -3.790 358 3HB ALA 48 HB2 ALA 48 -9.124 -12.598 -4.316 359 H THR 49 HN THR 49 -8.404 -9.108 -1.985 360 HA THR 49 HA THR 49 -9.873 -10.304 0.273 361 HB THR 49 HB THR 49 -7.531 -10.720 1.427 362 HG1 THR 49 HG1 THR 49 -6.734 -9.682 -0.692 363 1HG2 THR 49 HG23 THR 49 -9.186 -12.528 0.538 364 2HG2 THR 49 HG22 THR 49 -8.182 -12.543 -0.908 365 3HG2 THR 49 HG21 THR 49 -7.490 -12.990 0.648 366 H LYS 50 HN LYS 50 -9.147 -7.630 -1.119 367 HA LYS 50 HA LYS 50 -8.749 -5.418 -0.433 368 1HB LYS 50 HB2 LYS 50 -9.611 -6.515 2.255 369 2HB LYS 50 HB1 LYS 50 -9.633 -4.825 1.763 370 1HG LYS 50 HG2 LYS 50 -11.180 -5.503 -0.134 371 2HG LYS 50 HG1 LYS 50 -11.286 -7.093 0.612 372 1HD LYS 50 HD2 LYS 50 -13.089 -6.091 1.658 373 2HD LYS 50 HD1 LYS 50 -11.824 -5.610 2.783 374 1HE LYS 50 HE2 LYS 50 -11.530 -3.527 1.288 375 2HE LYS 50 HE1 LYS 50 -13.071 -3.974 0.566 376 1HZ LYS 50 HZ3 LYS 50 -13.705 -4.121 3.126 377 2HZ LYS 50 HZ2 LYS 50 -12.493 -2.933 3.217 378 3HZ LYS 50 HZ1 LYS 50 -13.848 -2.691 2.220 379 H THR 51 HN THR 51 -6.446 -6.494 -0.740 380 HA THR 51 HA THR 51 -4.853 -5.625 1.633 381 HB THR 51 HB THR 51 -4.522 -8.283 0.150 382 HG1 THR 51 HG1 THR 51 -4.834 -7.780 2.899 383 1HG2 THR 51 HG23 THR 51 -2.425 -6.834 1.249 384 2HG2 THR 51 HG22 THR 51 -3.000 -7.756 2.628 385 3HG2 THR 51 HG21 THR 51 -2.483 -8.586 1.168 386 H PHE 52 HN PHE 52 -3.647 -3.958 0.825 387 HA PHE 52 HA PHE 52 -2.994 -3.802 -2.016 388 1HB PHE 52 HB2 PHE 52 -2.954 -2.031 0.269 389 2HB PHE 52 HB1 PHE 52 -1.452 -1.923 -0.640 390 HD1 PHE 52 HD1 PHE 52 -1.499 -1.309 -3.068 391 HD2 PHE 52 HD2 PHE 52 -5.022 -1.329 -0.720 392 HE1 PHE 52 HE1 PHE 52 -2.682 -0.031 -4.807 393 HE2 PHE 52 HE2 PHE 52 -6.155 0.059 -2.366 394 HZ PHE 52 HZ PHE 52 -4.973 0.756 -4.393 395 H THR 53 HN THR 53 -0.701 -3.492 -2.714 396 HA THR 53 HA THR 53 1.388 -4.524 -0.950 397 HB THR 53 HB THR 53 0.478 -6.160 -3.347 398 HG1 THR 53 HG1 THR 53 -0.667 -6.338 -1.344 399 1HG2 THR 53 HG23 THR 53 2.957 -6.168 -1.638 400 2HG2 THR 53 HG22 THR 53 2.265 -7.716 -2.112 401 3HG2 THR 53 HG21 THR 53 2.797 -6.576 -3.343 402 H VAL 54 HN VAL 54 3.326 -3.718 -1.533 403 HA VAL 54 HA VAL 54 3.634 -2.673 -4.318 404 HB VAL 54 HB VAL 54 3.028 -0.838 -2.678 405 1HG1 VAL 54 HG13 VAL 54 4.337 -1.982 -0.811 406 2HG1 VAL 54 HG12 VAL 54 5.792 -1.339 -1.563 407 3HG1 VAL 54 HG11 VAL 54 4.557 -0.244 -0.949 408 1HG2 VAL 54 HG22 VAL 54 5.748 -0.819 -4.014 409 2HG2 VAL 54 HG21 VAL 54 4.235 -0.202 -4.658 410 3HG2 VAL 54 HG23 VAL 54 5.013 0.617 -3.314 411 H THR 55 HN THR 55 5.790 -2.673 -5.055 412 HA THR 55 HA THR 55 7.801 -3.976 -3.285 413 HB THR 55 HB THR 55 7.446 -4.872 -6.161 414 HG1 THR 55 HG1 THR 55 6.237 -6.594 -4.990 415 1HG2 THR 55 HG22 THR 55 9.250 -5.557 -4.059 416 2HG2 THR 55 HG21 THR 55 8.087 -6.877 -4.170 417 3HG2 THR 55 HG23 THR 55 9.028 -6.411 -5.578 418 H GLU 56 HN GLU 56 9.474 -2.588 -3.240 419 HA GLU 56 HA GLU 56 9.919 -0.497 -5.119 420 1HB GLU 56 HB2 GLU 56 11.002 -1.205 -2.694 421 2HB GLU 56 HB1 GLU 56 12.340 -1.506 -3.794 422 1HG GLU 56 HG2 GLU 56 11.951 0.798 -4.767 423 2HG GLU 56 HG1 GLU 56 10.784 1.080 -3.479 Start of MODEL 28 Raw file had 423 H/Q atoms Entry Start of MODEL 28 1 1H MET 1 HT1 MET 1 -13.467 -1.658 5.613 2 2H MET 1 HT3 MET 1 -14.200 -0.220 6.143 3 3H MET 1 HT2 MET 1 -15.045 -1.273 5.113 4 HA MET 1 HA MET 1 -13.627 -0.805 3.297 5 1HB MET 1 HB2 MET 1 -13.744 1.797 3.305 6 2HB MET 1 HB1 MET 1 -15.251 0.889 3.364 7 1HG MET 1 HG2 MET 1 -13.795 1.794 5.845 8 2HG MET 1 HG1 MET 1 -14.967 2.806 5.043 9 1HE MET 1 HE3 MET 1 -17.219 1.783 4.291 10 2HE MET 1 HE2 MET 1 -18.307 1.257 5.575 11 3HE MET 1 HE1 MET 1 -17.505 2.824 5.685 12 H THR 2 HN THR 2 -11.637 -1.742 4.621 13 HA THR 2 HA THR 2 -9.557 0.375 4.463 14 HB THR 2 HB THR 2 -9.737 -1.533 6.831 15 HG1 THR 2 HG1 THR 2 -10.126 1.254 6.843 16 1HG2 THR 2 HG21 THR 2 -7.532 -0.185 5.917 17 2HG2 THR 2 HG23 THR 2 -8.289 1.062 6.904 18 3HG2 THR 2 HG22 THR 2 -7.839 -0.478 7.626 19 OH TYR 3 OH TYR 3 -11.616 0.305 -0.909 20 H TYR 3 HN TYR 3 -7.868 -0.332 3.297 21 HA TYR 3 HA TYR 3 -7.658 -3.266 2.789 22 1HB TYR 3 HB2 TYR 3 -6.089 -1.166 1.319 23 2HB TYR 3 HB1 TYR 3 -6.574 -2.760 0.769 24 HD1 TYR 3 HD1 TYR 3 -7.949 0.575 1.734 25 HD2 TYR 3 HD2 TYR 3 -8.621 -3.043 -0.386 26 HE1 TYR 3 HE1 TYR 3 -9.995 1.520 0.764 27 HE2 TYR 3 HE2 TYR 3 -10.663 -2.102 -1.358 28 HH TYR 3 HH TYR 3 -11.839 -0.208 -1.688 29 H LYS 4 HN LYS 4 -5.537 -4.249 2.791 30 HA LYS 4 HA LYS 4 -3.791 -3.040 4.892 31 1HB LYS 4 HB2 LYS 4 -4.949 -5.453 4.945 32 2HB LYS 4 HB1 LYS 4 -3.517 -5.888 4.028 33 1HG LYS 4 HG2 LYS 4 -2.312 -4.465 5.969 34 2HG LYS 4 HG1 LYS 4 -3.741 -4.962 6.864 35 1HD LYS 4 HD2 LYS 4 -1.905 -6.870 5.369 36 2HD LYS 4 HD1 LYS 4 -1.840 -6.575 7.100 37 1HE LYS 4 HE2 LYS 4 -4.298 -7.589 5.631 38 2HE LYS 4 HE1 LYS 4 -3.176 -8.612 6.513 39 1HZ LYS 4 HZ2 LYS 4 -4.214 -6.337 7.977 40 2HZ LYS 4 HZ1 LYS 4 -5.350 -7.538 7.589 41 3HZ LYS 4 HZ3 LYS 4 -3.962 -7.939 8.482 42 H LEU 5 HN LEU 5 -1.959 -2.151 4.169 43 HA LEU 5 HA LEU 5 -0.956 -2.830 1.493 44 1HB LEU 5 HB2 LEU 5 -0.877 -0.499 2.056 45 2HB LEU 5 HB1 LEU 5 -0.134 -0.816 3.612 46 HG LEU 5 HG LEU 5 1.936 -1.646 2.338 47 1HD1 LEU 5 HD13 LEU 5 0.439 -0.401 0.012 48 2HD1 LEU 5 HD12 LEU 5 2.106 -0.950 -0.030 49 3HD1 LEU 5 HD11 LEU 5 0.806 -2.112 0.178 50 1HD2 LEU 5 HD21 LEU 5 1.558 0.729 3.255 51 2HD2 LEU 5 HD23 LEU 5 2.801 0.530 2.027 52 3HD2 LEU 5 HD22 LEU 5 1.228 1.180 1.590 53 H ILE 6 HN ILE 6 1.181 -3.607 1.114 54 HA ILE 6 HA ILE 6 2.614 -4.769 3.405 55 HB ILE 6 HB ILE 6 2.000 -6.340 0.893 56 1HG1 ILE 6 HG12 ILE 6 0.724 -6.325 3.643 57 2HG1 ILE 6 HG11 ILE 6 -0.073 -6.111 2.088 58 1HG2 ILE 6 HG21 ILE 6 4.134 -6.807 2.277 59 2HG2 ILE 6 HG23 ILE 6 3.046 -7.345 3.551 60 3HG2 ILE 6 HG22 ILE 6 3.061 -8.172 1.996 61 1HD1 ILE 6 HD1 ILE 6 0.785 -8.482 1.523 62 2HD1 ILE 6 HD3 ILE 6 1.115 -8.641 3.246 63 3HD1 ILE 6 HD2 ILE 6 -0.530 -8.366 2.687 64 H LEU 7 HN LEU 7 4.427 -3.565 3.255 65 HA LEU 7 HA LEU 7 5.548 -2.810 0.669 66 1HB LEU 7 HB2 LEU 7 6.640 -2.491 3.464 67 2HB LEU 7 HB1 LEU 7 7.350 -1.777 2.024 68 HG LEU 7 HG LEU 7 4.490 -1.228 2.196 69 1HD1 LEU 7 HD11 LEU 7 6.290 -0.253 4.442 70 2HD1 LEU 7 HD13 LEU 7 4.657 0.328 4.128 71 3HD1 LEU 7 HD12 LEU 7 4.918 -1.342 4.624 72 1HD2 LEU 7 HD22 LEU 7 6.226 -0.076 0.768 73 2HD2 LEU 7 HD21 LEU 7 5.264 1.033 1.739 74 3HD2 LEU 7 HD23 LEU 7 6.901 0.618 2.239 75 H ASN 8 HN ASN 8 6.886 -3.962 -0.526 76 HA ASN 8 HA ASN 8 8.338 -6.234 0.761 77 1HB ASN 8 HB2 ASN 8 6.821 -5.947 -1.677 78 2HB ASN 8 HB1 ASN 8 8.457 -6.436 -2.067 79 1HD2 ASN 8 HD22 ASN 8 6.006 -9.223 -0.898 80 2HD2 ASN 8 HD21 ASN 8 5.606 -7.789 -1.701 81 H GLY 9 HN GLY 9 9.338 -3.620 1.035 82 1HA GLY 9 HA2 GLY 9 11.153 -2.683 -0.861 83 2HA GLY 9 HA1 GLY 9 11.439 -2.562 0.866 84 H LYS 10 HN LYS 10 13.164 -3.226 -1.546 85 HA LYS 10 HA LYS 10 13.996 -5.929 -1.479 86 1HB LYS 10 HB2 LYS 10 15.024 -3.418 -2.501 87 2HB LYS 10 HB1 LYS 10 16.334 -4.372 -1.823 88 1HG LYS 10 HG2 LYS 10 16.145 -5.030 -4.126 89 2HG LYS 10 HG1 LYS 10 15.450 -6.348 -3.194 90 1HD LYS 10 HD2 LYS 10 13.176 -5.373 -3.577 91 2HD LYS 10 HD1 LYS 10 13.908 -4.109 -4.557 92 1HE LYS 10 HE2 LYS 10 14.686 -5.708 -6.183 93 2HE LYS 10 HE1 LYS 10 14.269 -7.061 -5.139 94 1HZ LYS 10 HZ3 LYS 10 12.065 -5.304 -5.702 95 2HZ LYS 10 HZ2 LYS 10 12.702 -6.059 -7.082 96 3HZ LYS 10 HZ1 LYS 10 12.154 -6.998 -5.777 97 H THR 11 HN THR 11 14.585 -3.301 0.702 98 HA THR 11 HA THR 11 15.957 -5.188 2.537 99 HB THR 11 HB THR 11 17.344 -2.957 3.105 100 HG1 THR 11 HG1 THR 11 15.885 -2.399 0.986 101 1HG2 THR 11 HG23 THR 11 17.915 -4.613 0.621 102 2HG2 THR 11 HG22 THR 11 19.097 -3.690 1.542 103 3HG2 THR 11 HG21 THR 11 18.348 -5.117 2.252 104 H LEU 12 HN LEU 12 13.350 -3.349 2.072 105 HA LEU 12 HA LEU 12 13.076 -2.823 4.992 106 1HB LEU 12 HB2 LEU 12 13.805 -0.687 4.050 107 2HB LEU 12 HB1 LEU 12 12.551 -0.772 2.821 108 HG LEU 12 HG LEU 12 10.801 -0.628 4.547 109 1HD1 LEU 12 HD13 LEU 12 13.182 -0.916 6.363 110 2HD1 LEU 12 HD12 LEU 12 11.775 -0.019 6.928 111 3HD1 LEU 12 HD11 LEU 12 11.613 -1.709 6.461 112 1HD2 LEU 12 HD22 LEU 12 11.809 1.474 3.670 113 2HD2 LEU 12 HD21 LEU 12 11.254 1.654 5.330 114 3HD2 LEU 12 HD23 LEU 12 12.970 1.449 4.993 115 H LYS 13 HN LYS 13 11.568 -4.473 5.172 116 HA LYS 13 HA LYS 13 9.149 -4.331 3.457 117 1HB LYS 13 HB2 LYS 13 9.923 -6.372 5.554 118 2HB LYS 13 HB1 LYS 13 8.567 -6.499 4.444 119 1HG LYS 13 HG2 LYS 13 10.107 -6.485 2.528 120 2HG LYS 13 HG1 LYS 13 11.479 -6.279 3.609 121 1HD LYS 13 HD2 LYS 13 9.639 -8.577 4.133 122 2HD LYS 13 HD1 LYS 13 10.726 -8.703 2.754 123 1HE LYS 13 HE2 LYS 13 12.657 -8.253 4.197 124 2HE LYS 13 HE1 LYS 13 11.597 -8.013 5.580 125 1HZ LYS 13 HZ3 LYS 13 11.015 -10.491 4.399 126 2HZ LYS 13 HZ2 LYS 13 12.691 -10.393 4.658 127 3HZ LYS 13 HZ1 LYS 13 11.617 -10.170 5.954 128 H GLY 14 HN GLY 14 7.041 -4.226 4.386 129 1HA GLY 14 HA2 GLY 14 6.742 -3.654 7.238 130 2HA GLY 14 HA1 GLY 14 6.523 -2.239 6.214 131 H GLU 15 HN GLU 15 4.338 -2.464 7.331 132 HA GLU 15 HA GLU 15 2.414 -3.379 5.423 133 1HB GLU 15 HB2 GLU 15 2.603 -5.606 5.984 134 2HB GLU 15 HB1 GLU 15 3.197 -5.258 7.601 135 1HG GLU 15 HG2 GLU 15 0.997 -4.808 8.426 136 2HG GLU 15 HG1 GLU 15 0.328 -4.696 6.798 137 H THR 16 HN THR 16 0.779 -1.988 5.708 138 HA THR 16 HA THR 16 -0.192 -1.399 8.439 139 HB THR 16 HB THR 16 1.446 0.394 8.189 140 HG1 THR 16 HG1 THR 16 -0.972 0.707 8.671 141 1HG2 THR 16 HG23 THR 16 0.965 0.152 5.446 142 2HG2 THR 16 HG22 THR 16 0.157 1.657 5.869 143 3HG2 THR 16 HG21 THR 16 1.875 1.455 6.203 144 H THR 17 HN THR 17 -2.305 -0.485 8.473 145 HA THR 17 HA THR 17 -3.796 -0.905 5.911 146 HB THR 17 HB THR 17 -5.665 -1.614 7.216 147 HG1 THR 17 HG1 THR 17 -5.942 -0.112 8.719 148 1HG2 THR 17 HG23 THR 17 -3.257 -2.862 7.742 149 2HG2 THR 17 HG22 THR 17 -3.754 -2.359 9.354 150 3HG2 THR 17 HG21 THR 17 -4.801 -3.399 8.393 151 H THR 18 HN THR 18 -5.134 0.663 5.118 152 HA THR 18 HA THR 18 -5.347 3.215 6.669 153 HB THR 18 HB THR 18 -3.648 3.187 4.644 154 HG1 THR 18 HG1 THR 18 -4.283 5.337 4.380 155 1HG2 THR 18 HG23 THR 18 -5.664 2.233 3.163 156 2HG2 THR 18 HG22 THR 18 -6.145 3.926 3.134 157 3HG2 THR 18 HG21 THR 18 -4.576 3.444 2.497 158 H GLU 19 HN GLU 19 -7.268 4.369 6.392 159 HA GLU 19 HA GLU 19 -9.519 2.738 5.383 160 1HB GLU 19 HB2 GLU 19 -9.494 4.005 7.625 161 2HB GLU 19 HB1 GLU 19 -9.724 5.461 6.663 162 1HG GLU 19 HG2 GLU 19 -11.639 3.948 5.543 163 2HG GLU 19 HG1 GLU 19 -11.600 3.182 7.130 164 H ALA 20 HN ALA 20 -10.249 2.993 3.379 165 HA ALA 20 HA ALA 20 -10.212 5.708 2.159 166 1HB ALA 20 HB1 ALA 20 -8.665 3.368 1.299 167 2HB ALA 20 HB3 ALA 20 -9.639 4.072 0.011 168 3HB ALA 20 HB2 ALA 20 -8.464 5.062 0.870 169 H VAL 21 HN VAL 21 -11.767 5.987 0.467 170 HA VAL 21 HA VAL 21 -14.086 4.176 0.789 171 HB VAL 21 HB VAL 21 -14.337 6.676 0.923 172 1HG1 VAL 21 HG12 VAL 21 -12.657 7.021 -0.992 173 2HG1 VAL 21 HG11 VAL 21 -13.972 6.591 -2.081 174 3HG1 VAL 21 HG13 VAL 21 -14.113 8.010 -1.048 175 1HG2 VAL 21 HG23 VAL 21 -16.236 5.165 0.351 176 2HG2 VAL 21 HG22 VAL 21 -16.378 6.726 -0.451 177 3HG2 VAL 21 HG21 VAL 21 -15.823 5.319 -1.354 178 H ASP 22 HN ASP 22 -11.664 5.031 -1.551 179 HA ASP 22 HA ASP 22 -12.768 2.946 -3.365 180 1HB ASP 22 HB2 ASP 22 -12.342 4.401 -5.334 181 2HB ASP 22 HB1 ASP 22 -13.569 5.080 -4.267 182 H ALA 23 HN ALA 23 -11.089 2.614 -5.232 183 HA ALA 23 HA ALA 23 -8.590 1.891 -3.924 184 1HB ALA 23 HB3 ALA 23 -9.695 1.586 -6.704 185 2HB ALA 23 HB2 ALA 23 -8.004 1.222 -6.371 186 3HB ALA 23 HB1 ALA 23 -9.277 0.333 -5.539 187 H ALA 24 HN ALA 24 -9.476 4.120 -6.544 188 HA ALA 24 HA ALA 24 -6.956 5.131 -7.192 189 1HB ALA 24 HB3 ALA 24 -9.703 6.305 -7.166 190 2HB ALA 24 HB2 ALA 24 -8.342 7.388 -7.436 191 3HB ALA 24 HB1 ALA 24 -8.617 6.032 -8.525 192 H THR 25 HN THR 25 -9.099 6.246 -4.587 193 HA THR 25 HA THR 25 -7.234 8.225 -3.622 194 HB THR 25 HB THR 25 -9.852 7.903 -3.137 195 HG1 THR 25 HG1 THR 25 -9.425 9.403 -1.565 196 1HG2 THR 25 HG23 THR 25 -9.223 5.748 -1.752 197 2HG2 THR 25 HG22 THR 25 -8.615 6.901 -0.567 198 3HG2 THR 25 HG21 THR 25 -10.314 6.920 -1.022 199 H ALA 26 HN ALA 26 -7.670 4.820 -3.066 200 HA ALA 26 HA ALA 26 -6.064 4.693 -0.654 201 1HB ALA 26 HB2 ALA 26 -7.699 2.935 -1.248 202 2HB ALA 26 HB1 ALA 26 -6.725 2.516 -2.653 203 3HB ALA 26 HB3 ALA 26 -6.085 2.263 -1.032 204 H GLU 27 HN GLU 27 -5.432 4.350 -4.098 205 HA GLU 27 HA GLU 27 -2.781 3.353 -3.949 206 1HB GLU 27 HB2 GLU 27 -4.147 5.115 -5.987 207 2HB GLU 27 HB1 GLU 27 -2.542 4.442 -6.217 208 1HG GLU 27 HG2 GLU 27 -3.487 2.152 -5.867 209 2HG GLU 27 HG1 GLU 27 -5.093 2.868 -5.757 210 H LYS 28 HN LYS 28 -3.922 6.721 -4.198 211 HA LYS 28 HA LYS 28 -1.260 7.820 -3.977 212 1HB LYS 28 HB2 LYS 28 -2.417 9.986 -3.678 213 2HB LYS 28 HB1 LYS 28 -3.057 9.086 -5.047 214 1HG LYS 28 HG2 LYS 28 -4.891 8.227 -3.588 215 2HG LYS 28 HG1 LYS 28 -4.272 9.213 -2.268 216 1HD LYS 28 HD2 LYS 28 -4.474 10.935 -4.509 217 2HD LYS 28 HD1 LYS 28 -5.969 10.008 -4.466 218 1HE LYS 28 HE2 LYS 28 -4.772 11.537 -2.131 219 2HE LYS 28 HE1 LYS 28 -6.161 12.048 -3.082 220 1HZ LYS 28 HZ1 LYS 28 -6.147 9.424 -1.744 221 2HZ LYS 28 HZ3 LYS 28 -6.556 10.831 -0.885 222 3HZ LYS 28 HZ2 LYS 28 -7.470 10.367 -2.238 223 H VAL 29 HN VAL 29 -3.802 7.086 -1.666 224 HA VAL 29 HA VAL 29 -2.713 8.502 0.565 225 HB VAL 29 HB VAL 29 -4.448 6.041 0.364 226 1HG1 VAL 29 HG11 VAL 29 -3.238 7.399 2.763 227 2HG1 VAL 29 HG13 VAL 29 -4.837 6.673 2.888 228 3HG1 VAL 29 HG12 VAL 29 -3.449 5.678 2.457 229 1HG2 VAL 29 HG22 VAL 29 -5.110 8.572 -0.160 230 2HG2 VAL 29 HG21 VAL 29 -6.218 7.512 0.704 231 3HG2 VAL 29 HG23 VAL 29 -5.225 8.661 1.594 232 H PHE 30 HN PHE 30 -2.542 4.999 -0.066 233 HA PHE 30 HA PHE 30 -0.552 4.443 1.870 234 1HB PHE 30 HB2 PHE 30 -1.453 3.093 -0.649 235 2HB PHE 30 HB1 PHE 30 0.015 2.525 0.128 236 HD1 PHE 30 HD1 PHE 30 -0.310 2.383 2.878 237 HD2 PHE 30 HD2 PHE 30 -3.387 1.933 -0.039 238 HE1 PHE 30 HE1 PHE 30 -1.674 1.129 4.497 239 HE2 PHE 30 HE2 PHE 30 -4.721 0.670 1.582 240 HZ PHE 30 HZ PHE 30 -3.863 0.229 3.834 241 H LYS 31 HN LYS 31 -0.263 5.502 -1.487 242 HA LYS 31 HA LYS 31 2.549 5.173 -1.767 243 1HB LYS 31 HB2 LYS 31 1.076 5.719 -3.662 244 2HB LYS 31 HB1 LYS 31 0.767 7.306 -2.963 245 1HG LYS 31 HG2 LYS 31 2.766 8.134 -3.663 246 2HG LYS 31 HG1 LYS 31 3.631 6.672 -3.207 247 1HD LYS 31 HD2 LYS 31 2.822 5.538 -5.239 248 2HD LYS 31 HD1 LYS 31 1.902 6.970 -5.686 249 1HE LYS 31 HE2 LYS 31 4.178 6.731 -6.819 250 2HE LYS 31 HE1 LYS 31 3.895 8.265 -6.005 251 1HZ LYS 31 HZ3 LYS 31 5.059 6.197 -4.353 252 2HZ LYS 31 HZ2 LYS 31 6.047 6.740 -5.624 253 3HZ LYS 31 HZ1 LYS 31 5.453 7.844 -4.479 254 H GLN 32 HN GLN 32 0.627 7.690 -0.271 255 HA GLN 32 HA GLN 32 2.764 9.574 0.113 256 1HB GLN 32 HB2 GLN 32 0.335 10.125 0.325 257 2HB GLN 32 HB1 GLN 32 0.284 9.183 1.811 258 1HG GLN 32 HG2 GLN 32 2.518 10.950 2.004 259 2HG GLN 32 HG1 GLN 32 1.139 11.903 1.463 260 1HE2 GLN 32 HE22 GLN 32 0.876 9.983 5.098 261 2HE2 GLN 32 HE21 GLN 32 1.870 9.330 3.887 262 OH TYR 33 OH TYR 33 5.071 2.521 7.972 263 H TYR 33 HN TYR 33 1.692 6.738 1.826 264 HA TYR 33 HA TYR 33 3.243 7.238 4.229 265 1HB TYR 33 HB2 TYR 33 1.325 5.737 4.328 266 2HB TYR 33 HB1 TYR 33 2.045 4.693 3.109 267 HD1 TYR 33 HD1 TYR 33 4.189 3.476 3.638 268 HD2 TYR 33 HD2 TYR 33 1.996 5.560 6.628 269 HE1 TYR 33 HE1 TYR 33 5.401 2.252 5.378 270 HE2 TYR 33 HE2 TYR 33 3.210 4.334 8.370 271 HH TYR 33 HH TYR 33 5.994 2.780 7.929 272 H ALA 34 HN ALA 34 3.645 4.958 1.535 273 HA ALA 34 HA ALA 34 6.133 3.885 2.154 274 1HB ALA 34 HB1 ALA 34 4.496 3.944 -0.101 275 2HB ALA 34 HB3 ALA 34 6.014 4.638 -0.662 276 3HB ALA 34 HB2 ALA 34 5.994 3.035 0.065 277 H ASN 35 HN ASN 35 5.428 7.038 0.751 278 HA ASN 35 HA ASN 35 8.037 7.854 0.056 279 1HB ASN 35 HB2 ASN 35 6.001 9.170 -0.446 280 2HB ASN 35 HB1 ASN 35 5.838 9.555 1.265 281 1HD2 ASN 35 HD22 ASN 35 7.663 12.475 0.291 282 2HD2 ASN 35 HD21 ASN 35 6.102 11.870 0.572 283 H ASP 36 HN ASP 36 6.387 7.996 3.180 284 HA ASP 36 HA ASP 36 8.630 9.253 4.534 285 1HB ASP 36 HB2 ASP 36 6.199 7.791 5.599 286 2HB ASP 36 HB1 ASP 36 7.353 8.664 6.605 287 H ASN 37 HN ASN 37 8.662 6.462 3.084 288 HA ASN 37 HA ASN 37 10.328 5.148 5.191 289 1HB ASN 37 HB2 ASN 37 8.169 3.931 3.476 290 2HB ASN 37 HB1 ASN 37 9.456 2.944 4.162 291 1HD2 ASN 37 HD22 ASN 37 6.544 4.471 6.588 292 2HD2 ASN 37 HD21 ASN 37 6.665 4.972 4.971 293 H GLY 38 HN GLY 38 9.837 5.979 1.877 294 1HA GLY 38 HA2 GLY 38 11.545 6.139 0.223 295 2HA GLY 38 HA1 GLY 38 12.619 5.235 1.286 296 H VAL 39 HN VAL 39 9.429 4.562 -0.145 297 HA VAL 39 HA VAL 39 10.609 2.209 -1.530 298 HB VAL 39 HB VAL 39 8.129 2.073 0.208 299 1HG1 VAL 39 HG12 VAL 39 9.654 -0.030 -1.371 300 2HG1 VAL 39 HG11 VAL 39 8.316 -0.368 -0.279 301 3HG1 VAL 39 HG13 VAL 39 8.042 0.572 -1.742 302 1HG2 VAL 39 HG21 VAL 39 11.000 1.215 0.611 303 2HG2 VAL 39 HG23 VAL 39 9.970 2.134 1.705 304 3HG2 VAL 39 HG22 VAL 39 9.683 0.414 1.463 305 H ASP 40 HN ASP 40 10.279 3.156 -3.525 306 HA ASP 40 HA ASP 40 7.431 3.315 -4.377 307 1HB ASP 40 HB2 ASP 40 9.489 5.420 -5.090 308 2HB ASP 40 HB1 ASP 40 7.780 5.426 -5.517 309 H GLY 41 HN GLY 41 7.122 2.201 -6.200 310 1HA GLY 41 HA2 GLY 41 8.848 2.248 -8.467 311 2HA GLY 41 HA1 GLY 41 9.209 0.801 -7.531 312 H GLU 42 HN GLU 42 7.712 -0.864 -7.449 313 HA GLU 42 HA GLU 42 5.537 -0.684 -9.483 314 1HB GLU 42 HB2 GLU 42 6.561 -3.173 -8.148 315 2HB GLU 42 HB1 GLU 42 5.665 -3.051 -9.655 316 1HG GLU 42 HG2 GLU 42 7.699 -3.089 -10.674 317 2HG GLU 42 HG1 GLU 42 7.867 -1.426 -10.115 318 CH2 TRP 43 CH2 TRP 43 2.293 2.590 -2.091 319 H TRP 43 HN TRP 43 3.503 -0.558 -8.814 320 HA TRP 43 HA TRP 43 2.886 -1.308 -5.981 321 1HB TRP 43 HB2 TRP 43 1.852 0.834 -7.808 322 2HB TRP 43 HB1 TRP 43 0.900 0.299 -6.435 323 HD1 TRP 43 HD1 TRP 43 4.500 1.497 -7.196 324 HE1 TRP 43 HE1 TRP 43 5.219 2.883 -5.185 325 HE3 TRP 43 HE3 TRP 43 0.561 0.721 -4.271 326 HZ2 TRP 43 HZ2 TRP 43 4.191 3.489 -2.462 327 HZ3 TRP 43 HZ3 TRP 43 0.413 1.586 -1.994 328 HH2 TRP 43 HH2 TRP 43 2.227 2.965 -1.080 329 H THR 44 HN THR 44 1.286 -2.726 -5.574 330 HA THR 44 HA THR 44 -0.335 -3.690 -7.907 331 HB THR 44 HB THR 44 0.103 -5.926 -7.361 332 HG1 THR 44 HG1 THR 44 0.660 -6.344 -5.091 333 1HG2 THR 44 HG22 THR 44 2.372 -4.751 -7.636 334 2HG2 THR 44 HG21 THR 44 2.425 -4.642 -5.879 335 3HG2 THR 44 HG23 THR 44 2.410 -6.218 -6.663 336 OH TYR 45 OH TYR 45 -8.791 -1.252 -3.065 337 H TYR 45 HN TYR 45 -2.306 -4.910 -7.164 338 HA TYR 45 HA TYR 45 -3.447 -3.857 -4.618 339 1HB TYR 45 HB2 TYR 45 -3.994 -2.421 -6.708 340 2HB TYR 45 HB1 TYR 45 -5.000 -3.778 -7.217 341 HD1 TYR 45 HD1 TYR 45 -6.491 -4.670 -4.896 342 HD2 TYR 45 HD2 TYR 45 -5.273 -0.711 -5.841 343 HE1 TYR 45 HE1 TYR 45 -8.251 -3.787 -3.461 344 HE2 TYR 45 HE2 TYR 45 -7.077 0.169 -4.451 345 HH TYR 45 HH TYR 45 -9.223 -0.542 -3.546 346 H ASP 46 HN ASP 46 -4.446 -5.463 -3.542 347 HA ASP 46 HA ASP 46 -5.184 -7.939 -5.059 348 1HB ASP 46 HB2 ASP 46 -3.420 -7.977 -3.155 349 2HB ASP 46 HB1 ASP 46 -4.803 -7.808 -2.076 350 H ASP 47 HN ASP 47 -7.219 -6.776 -5.591 351 HA ASP 47 HA ASP 47 -9.093 -6.009 -3.560 352 1HB ASP 47 HB2 ASP 47 -9.111 -5.493 -6.105 353 2HB ASP 47 HB1 ASP 47 -9.923 -7.049 -6.261 354 H ALA 48 HN ALA 48 -7.944 -9.036 -4.440 355 HA ALA 48 HA ALA 48 -10.291 -10.651 -4.166 356 1HB ALA 48 HB2 ALA 48 -7.696 -11.161 -4.804 357 2HB ALA 48 HB1 ALA 48 -7.751 -11.784 -3.158 358 3HB ALA 48 HB3 ALA 48 -8.858 -12.413 -4.375 359 H THR 49 HN THR 49 -8.028 -9.321 -1.830 360 HA THR 49 HA THR 49 -9.921 -10.106 0.340 361 HB THR 49 HB THR 49 -8.253 -11.130 1.657 362 HG1 THR 49 HG1 THR 49 -5.987 -10.536 0.996 363 1HG2 THR 49 HG23 THR 49 -8.375 -12.279 -0.696 364 2HG2 THR 49 HG22 THR 49 -6.849 -11.456 -1.006 365 3HG2 THR 49 HG21 THR 49 -6.970 -12.622 0.308 366 H LYS 50 HN LYS 50 -9.059 -7.601 -1.187 367 HA LYS 50 HA LYS 50 -8.675 -5.346 -0.687 368 1HB LYS 50 HB2 LYS 50 -9.792 -6.296 1.963 369 2HB LYS 50 HB1 LYS 50 -9.551 -4.604 1.545 370 1HG LYS 50 HG2 LYS 50 -11.002 -4.969 -0.483 371 2HG LYS 50 HG1 LYS 50 -11.341 -6.591 0.111 372 1HD LYS 50 HD2 LYS 50 -13.109 -5.520 1.121 373 2HD LYS 50 HD1 LYS 50 -11.896 -5.181 2.351 374 1HE LYS 50 HE2 LYS 50 -11.350 -3.057 1.028 375 2HE LYS 50 HE1 LYS 50 -12.813 -3.369 0.103 376 1HZ LYS 50 HZ1 LYS 50 -13.782 -3.586 2.541 377 2HZ LYS 50 HZ3 LYS 50 -12.509 -2.511 2.867 378 3HZ LYS 50 HZ2 LYS 50 -13.695 -2.102 1.722 379 H THR 51 HN THR 51 -6.371 -6.360 -0.831 380 HA THR 51 HA THR 51 -4.882 -5.397 1.572 381 HB THR 51 HB THR 51 -4.650 -8.112 0.235 382 HG1 THR 51 HG1 THR 51 -5.762 -7.168 2.333 383 1HG2 THR 51 HG23 THR 51 -2.609 -6.760 2.046 384 2HG2 THR 51 HG22 THR 51 -2.591 -8.454 1.583 385 3HG2 THR 51 HG21 THR 51 -2.316 -7.210 0.371 386 H PHE 52 HN PHE 52 -3.629 -3.746 0.839 387 HA PHE 52 HA PHE 52 -2.896 -3.570 -1.981 388 1HB PHE 52 HB2 PHE 52 -2.920 -1.816 0.318 389 2HB PHE 52 HB1 PHE 52 -1.402 -1.692 -0.558 390 HD1 PHE 52 HD1 PHE 52 -1.412 -1.054 -2.998 391 HD2 PHE 52 HD2 PHE 52 -4.977 -1.122 -0.704 392 HE1 PHE 52 HE1 PHE 52 -2.582 0.236 -4.745 393 HE2 PHE 52 HE2 PHE 52 -6.093 0.278 -2.357 394 HZ PHE 52 HZ PHE 52 -4.885 0.992 -4.367 395 H THR 53 HN THR 53 -0.609 -3.364 -2.670 396 HA THR 53 HA THR 53 1.465 -4.302 -0.834 397 HB THR 53 HB THR 53 0.468 -6.101 -3.067 398 HG1 THR 53 HG1 THR 53 0.263 -7.449 -1.253 399 1HG2 THR 53 HG23 THR 53 3.017 -6.178 -1.408 400 2HG2 THR 53 HG22 THR 53 2.370 -7.586 -2.245 401 3HG2 THR 53 HG21 THR 53 2.912 -6.187 -3.166 402 H VAL 54 HN VAL 54 3.428 -3.585 -1.456 403 HA VAL 54 HA VAL 54 3.788 -2.721 -4.294 404 HB VAL 54 HB VAL 54 3.178 -0.745 -2.880 405 1HG1 VAL 54 HG12 VAL 54 4.178 -1.700 -0.793 406 2HG1 VAL 54 HG11 VAL 54 5.774 -1.341 -1.439 407 3HG1 VAL 54 HG13 VAL 54 4.645 -0.035 -1.099 408 1HG2 VAL 54 HG21 VAL 54 6.031 -0.855 -3.905 409 2HG2 VAL 54 HG23 VAL 54 4.613 -0.301 -4.776 410 3HG2 VAL 54 HG22 VAL 54 5.230 0.624 -3.419 411 H THR 55 HN THR 55 5.990 -2.706 -4.961 412 HA THR 55 HA THR 55 7.960 -3.899 -3.079 413 HB THR 55 HB THR 55 7.340 -5.089 -5.817 414 HG1 THR 55 HG1 THR 55 5.979 -6.183 -4.627 415 1HG2 THR 55 HG22 THR 55 9.547 -5.410 -3.857 416 2HG2 THR 55 HG21 THR 55 8.763 -6.915 -4.327 417 3HG2 THR 55 HG23 THR 55 9.490 -5.881 -5.550 418 H GLU 56 HN GLU 56 9.717 -2.634 -3.171 419 HA GLU 56 HA GLU 56 10.169 -0.676 -5.205 420 1HB GLU 56 HB2 GLU 56 11.290 -1.297 -2.728 421 2HB GLU 56 HB1 GLU 56 12.612 -1.526 -3.864 422 1HG GLU 56 HG2 GLU 56 12.008 0.741 -4.854 423 2HG GLU 56 HG1 GLU 56 10.914 0.960 -3.492 Start of MODEL 29 Raw file had 423 H/Q atoms Entry Start of MODEL 29 1 1H MET 1 HT2 MET 1 -13.706 0.540 5.693 2 2H MET 1 HT1 MET 1 -15.010 0.069 4.713 3 3H MET 1 HT3 MET 1 -13.731 -1.010 5.000 4 HA MET 1 HA MET 1 -13.363 -0.197 2.851 5 1HB MET 1 HB2 MET 1 -13.424 2.651 3.791 6 2HB MET 1 HB1 MET 1 -13.669 2.012 2.169 7 1HG MET 1 HG2 MET 1 -15.551 1.796 4.522 8 2HG MET 1 HG1 MET 1 -15.793 2.751 3.085 9 1HE MET 1 HE3 MET 1 -16.409 1.988 0.860 10 2HE MET 1 HE2 MET 1 -17.691 0.781 0.773 11 3HE MET 1 HE1 MET 1 -17.831 2.136 1.893 12 H THR 2 HN THR 2 -11.675 -1.151 4.685 13 HA THR 2 HA THR 2 -9.314 0.683 4.485 14 HB THR 2 HB THR 2 -9.845 -1.197 6.821 15 HG1 THR 2 HG1 THR 2 -10.926 0.453 7.625 16 1HG2 THR 2 HG22 THR 2 -7.467 -0.087 6.072 17 2HG2 THR 2 HG21 THR 2 -8.160 1.254 6.976 18 3HG2 THR 2 HG23 THR 2 -7.923 -0.304 7.758 19 OH TYR 3 OH TYR 3 -11.705 -0.139 -1.068 20 H TYR 3 HN TYR 3 -7.750 -0.197 3.295 21 HA TYR 3 HA TYR 3 -7.738 -3.164 2.942 22 1HB TYR 3 HB2 TYR 3 -6.152 -1.167 1.327 23 2HB TYR 3 HB1 TYR 3 -6.554 -2.823 0.904 24 HD1 TYR 3 HD1 TYR 3 -8.041 0.535 1.504 25 HD2 TYR 3 HD2 TYR 3 -8.626 -3.333 -0.169 26 HE1 TYR 3 HE1 TYR 3 -10.109 1.307 0.438 27 HE2 TYR 3 HE2 TYR 3 -10.693 -2.558 -1.235 28 HH TYR 3 HH TYR 3 -12.393 -0.122 -0.399 29 H LYS 4 HN LYS 4 -5.673 -4.265 2.948 30 HA LYS 4 HA LYS 4 -3.848 -3.081 4.990 31 1HB LYS 4 HB2 LYS 4 -5.043 -5.478 5.041 32 2HB LYS 4 HB1 LYS 4 -3.629 -5.925 4.103 33 1HG LYS 4 HG2 LYS 4 -2.367 -4.544 6.017 34 2HG LYS 4 HG1 LYS 4 -3.794 -5.003 6.941 35 1HD LYS 4 HD2 LYS 4 -3.405 -7.389 6.200 36 2HD LYS 4 HD1 LYS 4 -1.880 -6.860 5.498 37 1HE LYS 4 HE2 LYS 4 -0.962 -7.207 7.538 38 2HE LYS 4 HE1 LYS 4 -1.836 -5.775 8.067 39 1HZ LYS 4 HZ1 LYS 4 -3.589 -7.969 8.050 40 2HZ LYS 4 HZ3 LYS 4 -2.188 -8.397 8.909 41 3HZ LYS 4 HZ2 LYS 4 -3.078 -7.025 9.366 42 H LEU 5 HN LEU 5 -1.942 -2.314 4.307 43 HA LEU 5 HA LEU 5 -1.036 -2.986 1.577 44 1HB LEU 5 HB2 LEU 5 -0.932 -0.645 2.119 45 2HB LEU 5 HB1 LEU 5 -0.142 -0.960 3.654 46 HG LEU 5 HG LEU 5 1.886 -1.802 2.339 47 1HD1 LEU 5 HD11 LEU 5 0.360 -0.579 0.019 48 2HD1 LEU 5 HD13 LEU 5 2.009 -1.179 -0.041 49 3HD1 LEU 5 HD12 LEU 5 0.680 -2.298 0.213 50 1HD2 LEU 5 HD22 LEU 5 1.534 0.588 3.221 51 2HD2 LEU 5 HD21 LEU 5 2.737 0.373 1.957 52 3HD2 LEU 5 HD23 LEU 5 1.149 1.011 1.558 53 H ILE 6 HN ILE 6 1.065 -3.792 1.153 54 HA ILE 6 HA ILE 6 2.533 -4.959 3.429 55 HB ILE 6 HB ILE 6 1.984 -6.435 0.841 56 1HG1 ILE 6 HG12 ILE 6 0.701 -6.580 3.584 57 2HG1 ILE 6 HG11 ILE 6 -0.097 -6.346 2.035 58 1HG2 ILE 6 HG21 ILE 6 4.136 -6.897 2.194 59 2HG2 ILE 6 HG23 ILE 6 3.075 -7.517 3.453 60 3HG2 ILE 6 HG22 ILE 6 3.105 -8.283 1.868 61 1HD1 ILE 6 HD3 ILE 6 0.841 -8.663 1.392 62 2HD1 ILE 6 HD2 ILE 6 1.191 -8.869 3.106 63 3HD1 ILE 6 HD1 ILE 6 -0.466 -8.640 2.568 64 H LEU 7 HN LEU 7 4.351 -3.789 3.374 65 HA LEU 7 HA LEU 7 5.441 -2.781 0.871 66 1HB LEU 7 HB2 LEU 7 6.554 -2.715 3.673 67 2HB LEU 7 HB1 LEU 7 7.224 -1.842 2.305 68 HG LEU 7 HG LEU 7 4.338 -1.418 2.613 69 1HD1 LEU 7 HD13 LEU 7 6.245 -0.708 4.860 70 2HD1 LEU 7 HD12 LEU 7 4.715 0.128 4.615 71 3HD1 LEU 7 HD11 LEU 7 4.729 -1.594 4.978 72 1HD2 LEU 7 HD21 LEU 7 5.860 -0.093 1.155 73 2HD2 LEU 7 HD23 LEU 7 5.050 0.926 2.341 74 3HD2 LEU 7 HD22 LEU 7 6.730 0.457 2.584 75 H ASN 8 HN ASN 8 6.662 -3.898 -0.464 76 HA ASN 8 HA ASN 8 8.242 -6.179 0.625 77 1HB ASN 8 HB2 ASN 8 6.635 -5.766 -1.762 78 2HB ASN 8 HB1 ASN 8 8.251 -6.293 -2.181 79 1HD2 ASN 8 HD22 ASN 8 5.742 -9.050 -1.096 80 2HD2 ASN 8 HD21 ASN 8 5.389 -7.594 -1.881 81 H GLY 9 HN GLY 9 9.116 -3.515 0.950 82 1HA GLY 9 HA2 GLY 9 10.862 -2.551 -1.046 83 2HA GLY 9 HA1 GLY 9 11.094 -2.263 0.671 84 H LYS 10 HN LYS 10 12.992 -2.925 -1.542 85 HA LYS 10 HA LYS 10 13.939 -5.603 -1.222 86 1HB LYS 10 HB2 LYS 10 14.581 -3.508 -2.869 87 2HB LYS 10 HB1 LYS 10 15.978 -3.543 -1.802 88 1HG LYS 10 HG2 LYS 10 16.622 -5.063 -3.463 89 2HG LYS 10 HG1 LYS 10 15.920 -6.144 -2.267 90 1HD LYS 10 HD2 LYS 10 13.760 -6.084 -3.491 91 2HD LYS 10 HD1 LYS 10 14.467 -4.999 -4.680 92 1HE LYS 10 HE2 LYS 10 16.186 -7.290 -4.334 93 2HE LYS 10 HE1 LYS 10 14.548 -7.836 -4.671 94 1HZ LYS 10 HZ2 LYS 10 14.993 -5.739 -6.391 95 2HZ LYS 10 HZ1 LYS 10 16.431 -6.641 -6.417 96 3HZ LYS 10 HZ3 LYS 10 14.952 -7.392 -6.782 97 H THR 11 HN THR 11 14.993 -2.555 0.262 98 HA THR 11 HA THR 11 16.646 -4.091 2.173 99 HB THR 11 HB THR 11 17.857 -2.112 2.470 100 HG1 THR 11 HG1 THR 11 15.526 -0.685 1.725 101 1HG2 THR 11 HG21 THR 11 17.604 -2.528 -0.072 102 2HG2 THR 11 HG23 THR 11 16.366 -1.277 -0.032 103 3HG2 THR 11 HG22 THR 11 18.027 -0.887 0.405 104 H LEU 12 HN LEU 12 13.493 -3.253 2.000 105 HA LEU 12 HA LEU 12 13.217 -3.353 4.936 106 1HB LEU 12 HB2 LEU 12 13.544 -0.906 4.253 107 2HB LEU 12 HB1 LEU 12 11.967 -1.023 3.483 108 HG LEU 12 HG LEU 12 11.424 -2.125 5.928 109 1HD1 LEU 12 HD12 LEU 12 13.784 -1.541 6.636 110 2HD1 LEU 12 HD11 LEU 12 13.361 0.156 6.436 111 3HD1 LEU 12 HD13 LEU 12 12.533 -0.821 7.645 112 1HD2 LEU 12 HD22 LEU 12 11.345 0.774 5.035 113 2HD2 LEU 12 HD21 LEU 12 10.052 -0.414 4.913 114 3HD2 LEU 12 HD23 LEU 12 10.544 0.194 6.491 115 H LYS 13 HN LYS 13 11.255 -4.139 5.600 116 HA LYS 13 HA LYS 13 9.097 -4.456 3.561 117 1HB LYS 13 HB2 LYS 13 10.432 -6.633 5.164 118 2HB LYS 13 HB1 LYS 13 8.772 -6.816 4.623 119 1HG LYS 13 HG2 LYS 13 9.385 -7.095 2.441 120 2HG LYS 13 HG1 LYS 13 10.643 -5.874 2.534 121 1HD LYS 13 HD2 LYS 13 11.629 -8.107 2.187 122 2HD LYS 13 HD1 LYS 13 12.098 -7.464 3.755 123 1HE LYS 13 HE2 LYS 13 11.047 -9.146 4.847 124 2HE LYS 13 HE1 LYS 13 9.575 -8.914 3.914 125 1HZ LYS 13 HZ2 LYS 13 10.881 -10.079 2.058 126 2HZ LYS 13 HZ1 LYS 13 11.895 -10.618 3.310 127 3HZ LYS 13 HZ3 LYS 13 10.244 -11.018 3.323 128 H GLY 14 HN GLY 14 7.030 -4.304 4.416 129 1HA GLY 14 HA2 GLY 14 6.541 -4.535 7.283 130 2HA GLY 14 HA1 GLY 14 6.522 -2.864 6.729 131 H GLU 15 HN GLU 15 4.262 -2.911 7.441 132 HA GLU 15 HA GLU 15 2.437 -3.267 5.266 133 1HB GLU 15 HB2 GLU 15 1.066 -5.106 6.193 134 2HB GLU 15 HB1 GLU 15 2.690 -5.661 5.816 135 1HG GLU 15 HG2 GLU 15 2.980 -4.764 8.411 136 2HG GLU 15 HG1 GLU 15 1.349 -5.429 8.431 137 H THR 16 HN THR 16 0.676 -2.004 5.629 138 HA THR 16 HA THR 16 -0.213 -1.481 8.397 139 HB THR 16 HB THR 16 1.438 0.297 8.181 140 HG1 THR 16 HG1 THR 16 -0.175 2.075 7.958 141 1HG2 THR 16 HG23 THR 16 0.879 0.152 5.430 142 2HG2 THR 16 HG22 THR 16 0.180 1.686 5.934 143 3HG2 THR 16 HG21 THR 16 1.889 1.363 6.207 144 H THR 17 HN THR 17 -2.320 -0.568 8.512 145 HA THR 17 HA THR 17 -3.867 -0.906 5.977 146 HB THR 17 HB THR 17 -5.724 -1.572 7.312 147 HG1 THR 17 HG1 THR 17 -5.765 -0.908 9.500 148 1HG2 THR 17 HG23 THR 17 -3.348 -2.881 7.802 149 2HG2 THR 17 HG22 THR 17 -3.784 -2.344 9.421 150 3HG2 THR 17 HG21 THR 17 -4.888 -3.365 8.504 151 H THR 18 HN THR 18 -5.051 0.741 5.147 152 HA THR 18 HA THR 18 -5.233 3.273 6.737 153 HB THR 18 HB THR 18 -3.479 3.217 4.767 154 HG1 THR 18 HG1 THR 18 -4.776 4.978 5.990 155 1HG2 THR 18 HG21 THR 18 -5.493 2.350 3.216 156 2HG2 THR 18 HG23 THR 18 -5.884 4.065 3.176 157 3HG2 THR 18 HG22 THR 18 -4.319 3.504 2.594 158 H GLU 19 HN GLU 19 -7.061 4.575 6.320 159 HA GLU 19 HA GLU 19 -9.397 3.036 5.388 160 1HB GLU 19 HB2 GLU 19 -9.326 5.872 6.439 161 2HB GLU 19 HB1 GLU 19 -10.722 4.807 6.346 162 1HG GLU 19 HG2 GLU 19 -8.757 3.369 7.784 163 2HG GLU 19 HG1 GLU 19 -8.732 5.003 8.440 164 H ALA 20 HN ALA 20 -10.137 3.164 3.367 165 HA ALA 20 HA ALA 20 -9.803 5.715 1.865 166 1HB ALA 20 HB3 ALA 20 -8.421 3.230 1.325 167 2HB ALA 20 HB2 ALA 20 -9.453 3.669 -0.033 168 3HB ALA 20 HB1 ALA 20 -8.228 4.796 0.544 169 H VAL 21 HN VAL 21 -11.629 6.294 0.858 170 HA VAL 21 HA VAL 21 -13.973 4.572 1.018 171 HB VAL 21 HB VAL 21 -13.972 7.109 1.219 172 1HG1 VAL 21 HG13 VAL 21 -12.477 7.278 -0.896 173 2HG1 VAL 21 HG12 VAL 21 -13.967 7.038 -1.804 174 3HG1 VAL 21 HG11 VAL 21 -13.796 8.433 -0.744 175 1HG2 VAL 21 HG21 VAL 21 -16.039 5.779 0.867 176 2HG2 VAL 21 HG23 VAL 21 -16.127 7.324 0.026 177 3HG2 VAL 21 HG22 VAL 21 -15.782 5.850 -0.873 178 H ASP 22 HN ASP 22 -11.569 5.294 -1.362 179 HA ASP 22 HA ASP 22 -12.939 3.434 -3.247 180 1HB ASP 22 HB2 ASP 22 -12.318 4.925 -5.143 181 2HB ASP 22 HB1 ASP 22 -13.458 5.691 -4.038 182 H ALA 23 HN ALA 23 -11.474 2.505 -4.841 183 HA ALA 23 HA ALA 23 -8.966 1.717 -3.657 184 1HB ALA 23 HB1 ALA 23 -10.436 1.161 -6.169 185 2HB ALA 23 HB3 ALA 23 -8.690 0.945 -6.240 186 3HB ALA 23 HB2 ALA 23 -9.642 0.046 -5.062 187 H ALA 24 HN ALA 24 -9.907 4.219 -5.876 188 HA ALA 24 HA ALA 24 -7.325 4.758 -7.006 189 1HB ALA 24 HB3 ALA 24 -9.830 5.709 -7.463 190 2HB ALA 24 HB2 ALA 24 -9.134 7.060 -6.574 191 3HB ALA 24 HB1 ALA 24 -8.371 6.496 -8.057 192 H THR 25 HN THR 25 -9.071 6.612 -4.512 193 HA THR 25 HA THR 25 -6.891 8.205 -3.700 194 HB THR 25 HB THR 25 -9.432 8.273 -2.952 195 HG1 THR 25 HG1 THR 25 -7.037 9.102 -2.001 196 1HG2 THR 25 HG23 THR 25 -9.026 5.991 -1.679 197 2HG2 THR 25 HG22 THR 25 -8.189 7.004 -0.507 198 3HG2 THR 25 HG21 THR 25 -9.895 7.277 -0.849 199 H ALA 26 HN ALA 26 -7.619 4.879 -2.985 200 HA ALA 26 HA ALA 26 -5.919 4.598 -0.686 201 1HB ALA 26 HB2 ALA 26 -7.617 2.911 -1.323 202 2HB ALA 26 HB1 ALA 26 -6.669 2.511 -2.750 203 3HB ALA 26 HB3 ALA 26 -6.023 2.188 -1.145 204 H GLU 27 HN GLU 27 -5.365 4.351 -4.149 205 HA GLU 27 HA GLU 27 -2.697 3.339 -4.037 206 1HB GLU 27 HB2 GLU 27 -4.155 5.025 -6.081 207 2HB GLU 27 HB1 GLU 27 -2.525 4.420 -6.334 208 1HG GLU 27 HG2 GLU 27 -3.402 2.091 -5.886 209 2HG GLU 27 HG1 GLU 27 -5.025 2.771 -5.869 210 H LYS 28 HN LYS 28 -4.015 6.601 -3.931 211 HA LYS 28 HA LYS 28 -1.359 7.838 -3.935 212 1HB LYS 28 HB2 LYS 28 -3.768 9.355 -3.052 213 2HB LYS 28 HB1 LYS 28 -2.462 9.852 -4.121 214 1HG LYS 28 HG2 LYS 28 -3.364 8.190 -5.822 215 2HG LYS 28 HG1 LYS 28 -4.765 7.992 -4.777 216 1HD LYS 28 HD2 LYS 28 -5.089 10.500 -4.878 217 2HD LYS 28 HD1 LYS 28 -3.827 10.552 -6.104 218 1HE LYS 28 HE2 LYS 28 -5.603 10.280 -7.532 219 2HE LYS 28 HE1 LYS 28 -5.379 8.581 -7.133 220 1HZ LYS 28 HZ3 LYS 28 -7.025 10.097 -5.293 221 2HZ LYS 28 HZ2 LYS 28 -7.678 9.872 -6.845 222 3HZ LYS 28 HZ1 LYS 28 -7.235 8.527 -5.906 223 H VAL 29 HN VAL 29 -3.830 7.027 -1.570 224 HA VAL 29 HA VAL 29 -2.701 8.448 0.642 225 HB VAL 29 HB VAL 29 -4.453 5.996 0.479 226 1HG1 VAL 29 HG13 VAL 29 -3.253 7.405 2.859 227 2HG1 VAL 29 HG12 VAL 29 -4.820 6.614 2.989 228 3HG1 VAL 29 HG11 VAL 29 -3.393 5.676 2.562 229 1HG2 VAL 29 HG21 VAL 29 -5.159 8.465 -0.112 230 2HG2 VAL 29 HG23 VAL 29 -6.216 7.485 0.899 231 3HG2 VAL 29 HG22 VAL 29 -5.156 8.683 1.636 232 H PHE 30 HN PHE 30 -2.516 4.954 -0.075 233 HA PHE 30 HA PHE 30 -0.525 4.384 1.870 234 1HB PHE 30 HB2 PHE 30 -1.462 3.032 -0.633 235 2HB PHE 30 HB1 PHE 30 0.021 2.464 0.117 236 HD1 PHE 30 HD1 PHE 30 -0.258 2.334 2.875 237 HD2 PHE 30 HD2 PHE 30 -3.376 1.856 0.006 238 HE1 PHE 30 HE1 PHE 30 -1.591 1.088 4.520 239 HE2 PHE 30 HE2 PHE 30 -4.680 0.594 1.653 240 HZ PHE 30 HZ PHE 30 -3.785 0.173 3.895 241 H LYS 31 HN LYS 31 -0.283 5.584 -1.420 242 HA LYS 31 HA LYS 31 2.529 5.179 -1.756 243 1HB LYS 31 HB2 LYS 31 1.137 5.712 -3.664 244 2HB LYS 31 HB1 LYS 31 0.677 7.252 -2.944 245 1HG LYS 31 HG2 LYS 31 2.759 8.217 -3.339 246 2HG LYS 31 HG1 LYS 31 3.595 6.669 -3.319 247 1HD LYS 31 HD2 LYS 31 2.661 6.079 -5.493 248 2HD LYS 31 HD1 LYS 31 1.663 7.529 -5.497 249 1HE LYS 31 HE2 LYS 31 3.913 7.582 -6.812 250 2HE LYS 31 HE1 LYS 31 3.519 8.955 -5.785 251 1HZ LYS 31 HZ2 LYS 31 5.238 6.669 -5.002 252 2HZ LYS 31 HZ1 LYS 31 5.792 8.206 -5.466 253 3HZ LYS 31 HZ3 LYS 31 4.883 8.025 -4.044 254 H GLN 32 HN GLN 32 0.688 7.965 -0.557 255 HA GLN 32 HA GLN 32 2.907 9.677 -0.088 256 1HB GLN 32 HB2 GLN 32 0.638 10.530 0.050 257 2HB GLN 32 HB1 GLN 32 0.269 9.446 1.385 258 1HG GLN 32 HG2 GLN 32 1.386 10.741 2.916 259 2HG GLN 32 HG1 GLN 32 2.643 11.191 1.768 260 1HE2 GLN 32 HE22 GLN 32 0.897 14.061 0.567 261 2HE2 GLN 32 HE21 GLN 32 2.114 12.937 0.202 262 OH TYR 33 OH TYR 33 4.513 3.095 8.330 263 H TYR 33 HN TYR 33 1.749 6.894 1.608 264 HA TYR 33 HA TYR 33 3.262 7.442 4.049 265 1HB TYR 33 HB2 TYR 33 1.193 6.112 4.147 266 2HB TYR 33 HB1 TYR 33 1.913 4.907 3.087 267 HD1 TYR 33 HD1 TYR 33 3.802 3.515 3.880 268 HD2 TYR 33 HD2 TYR 33 1.856 6.260 6.481 269 HE1 TYR 33 HE1 TYR 33 4.835 2.418 5.810 270 HE2 TYR 33 HE2 TYR 33 2.889 5.161 8.414 271 HH TYR 33 HH TYR 33 4.185 3.523 9.125 272 H ALA 34 HN ALA 34 3.450 4.850 1.626 273 HA ALA 34 HA ALA 34 5.874 3.698 2.312 274 1HB ALA 34 HB2 ALA 34 4.203 3.675 0.053 275 2HB ALA 34 HB1 ALA 34 5.803 4.084 -0.556 276 3HB ALA 34 HB3 ALA 34 5.565 2.605 0.367 277 H ASN 35 HN ASN 35 5.352 6.750 0.661 278 HA ASN 35 HA ASN 35 8.038 7.248 -0.156 279 1HB ASN 35 HB2 ASN 35 5.941 8.558 -0.794 280 2HB ASN 35 HB1 ASN 35 6.093 9.372 0.761 281 1HD2 ASN 35 HD22 ASN 35 8.120 11.693 -0.994 282 2HD2 ASN 35 HD21 ASN 35 6.621 11.429 -0.244 283 H ASP 36 HN ASP 36 6.359 7.853 2.884 284 HA ASP 36 HA ASP 36 8.586 9.273 4.092 285 1HB ASP 36 HB2 ASP 36 6.133 7.964 5.291 286 2HB ASP 36 HB1 ASP 36 7.283 8.930 6.211 287 H ASN 37 HN ASN 37 8.919 6.475 2.943 288 HA ASN 37 HA ASN 37 10.411 5.387 5.284 289 1HB ASN 37 HB2 ASN 37 8.394 3.940 3.575 290 2HB ASN 37 HB1 ASN 37 9.672 3.063 4.412 291 1HD2 ASN 37 HD22 ASN 37 6.469 4.370 6.482 292 2HD2 ASN 37 HD21 ASN 37 6.573 4.500 4.794 293 H GLY 38 HN GLY 38 9.951 5.575 1.818 294 1HA GLY 38 HA2 GLY 38 11.988 5.892 0.428 295 2HA GLY 38 HA1 GLY 38 12.797 4.714 1.455 296 H VAL 39 HN VAL 39 9.597 3.859 0.864 297 HA VAL 39 HA VAL 39 10.496 1.790 -1.074 298 HB VAL 39 HB VAL 39 7.796 1.889 0.259 299 1HG1 VAL 39 HG13 VAL 39 8.583 0.255 -1.648 300 2HG1 VAL 39 HG12 VAL 39 9.480 -0.532 -0.353 301 3HG1 VAL 39 HG11 VAL 39 7.726 -0.401 -0.256 302 1HG2 VAL 39 HG23 VAL 39 10.482 1.257 1.425 303 2HG2 VAL 39 HG22 VAL 39 9.071 1.973 2.199 304 3HG2 VAL 39 HG21 VAL 39 9.121 0.239 1.889 305 H ASP 40 HN ASP 40 10.409 2.711 -3.081 306 HA ASP 40 HA ASP 40 7.703 3.468 -4.046 307 1HB ASP 40 HB2 ASP 40 10.179 5.169 -4.449 308 2HB ASP 40 HB1 ASP 40 8.610 5.464 -5.195 309 H GLY 41 HN GLY 41 7.301 2.279 -5.796 310 1HA GLY 41 HA2 GLY 41 9.071 2.136 -8.051 311 2HA GLY 41 HA1 GLY 41 9.177 0.640 -7.127 312 H GLU 42 HN GLU 42 7.697 -0.892 -7.527 313 HA GLU 42 HA GLU 42 5.499 -0.246 -9.409 314 1HB GLU 42 HB2 GLU 42 6.773 -2.778 -8.434 315 2HB GLU 42 HB1 GLU 42 5.217 -2.826 -9.248 316 1HG GLU 42 HG2 GLU 42 7.328 -3.078 -10.728 317 2HG GLU 42 HG1 GLU 42 6.116 -1.913 -11.254 318 CH2 TRP 43 CH2 TRP 43 2.056 2.611 -2.191 319 H TRP 43 HN TRP 43 3.323 -0.751 -8.952 320 HA TRP 43 HA TRP 43 2.715 -1.215 -6.056 321 1HB TRP 43 HB2 TRP 43 1.684 0.877 -7.937 322 2HB TRP 43 HB1 TRP 43 0.707 0.354 -6.575 323 HD1 TRP 43 HD1 TRP 43 4.293 1.614 -7.299 324 HE1 TRP 43 HE1 TRP 43 4.998 2.956 -5.259 325 HE3 TRP 43 HE3 TRP 43 0.334 0.770 -4.406 326 HZ2 TRP 43 HZ2 TRP 43 3.961 3.507 -2.537 327 HZ3 TRP 43 HZ3 TRP 43 0.175 1.605 -2.117 328 HH2 TRP 43 HH2 TRP 43 1.984 2.977 -1.177 329 H THR 44 HN THR 44 1.169 -2.661 -5.622 330 HA THR 44 HA THR 44 -0.438 -3.723 -7.921 331 HB THR 44 HB THR 44 -0.310 -5.951 -6.541 332 HG1 THR 44 HG1 THR 44 1.801 -5.783 -5.373 333 1HG2 THR 44 HG23 THR 44 1.927 -4.651 -8.089 334 2HG2 THR 44 HG22 THR 44 2.233 -6.183 -7.277 335 3HG2 THR 44 HG21 THR 44 0.983 -6.077 -8.513 336 OH TYR 45 OH TYR 45 -8.926 -1.324 -3.088 337 H TYR 45 HN TYR 45 -2.400 -4.915 -7.185 338 HA TYR 45 HA TYR 45 -3.556 -3.860 -4.647 339 1HB TYR 45 HB2 TYR 45 -4.132 -2.455 -6.752 340 2HB TYR 45 HB1 TYR 45 -5.117 -3.834 -7.241 341 HD1 TYR 45 HD1 TYR 45 -6.581 -4.726 -4.898 342 HD2 TYR 45 HD2 TYR 45 -5.432 -0.756 -5.889 343 HE1 TYR 45 HE1 TYR 45 -8.348 -3.857 -3.460 344 HE2 TYR 45 HE2 TYR 45 -7.241 0.110 -4.498 345 HH TYR 45 HH TYR 45 -9.034 -0.392 -3.287 346 H ASP 46 HN ASP 46 -4.488 -5.476 -3.553 347 HA ASP 46 HA ASP 46 -5.168 -7.984 -5.028 348 1HB ASP 46 HB2 ASP 46 -3.505 -7.851 -2.989 349 2HB ASP 46 HB1 ASP 46 -4.986 -7.835 -2.041 350 H ASP 47 HN ASP 47 -7.249 -7.413 -5.707 351 HA ASP 47 HA ASP 47 -9.212 -6.447 -3.753 352 1HB ASP 47 HB2 ASP 47 -9.401 -5.655 -6.037 353 2HB ASP 47 HB1 ASP 47 -9.481 -7.308 -6.644 354 H ALA 48 HN ALA 48 -7.847 -9.355 -4.198 355 HA ALA 48 HA ALA 48 -10.304 -10.976 -3.994 356 1HB ALA 48 HB2 ALA 48 -7.371 -11.733 -3.968 357 2HB ALA 48 HB1 ALA 48 -8.694 -12.891 -3.897 358 3HB ALA 48 HB3 ALA 48 -8.483 -11.884 -5.325 359 H THR 49 HN THR 49 -8.198 -9.332 -1.925 360 HA THR 49 HA THR 49 -9.487 -10.592 0.416 361 HB THR 49 HB THR 49 -7.237 -10.971 1.531 362 HG1 THR 49 HG1 THR 49 -6.549 -9.514 -0.528 363 1HG2 THR 49 HG22 THR 49 -8.449 -12.796 0.107 364 2HG2 THR 49 HG21 THR 49 -7.286 -12.381 -1.149 365 3HG2 THR 49 HG23 THR 49 -6.726 -13.014 0.396 366 H LYS 50 HN LYS 50 -8.959 -7.903 -1.105 367 HA LYS 50 HA LYS 50 -8.733 -5.645 -0.497 368 1HB LYS 50 HB2 LYS 50 -9.588 -6.746 2.195 369 2HB LYS 50 HB1 LYS 50 -9.644 -5.053 1.715 370 1HG LYS 50 HG2 LYS 50 -11.383 -5.409 0.179 371 2HG LYS 50 HG1 LYS 50 -11.024 -7.123 0.016 372 1HD LYS 50 HD2 LYS 50 -11.797 -7.492 2.351 373 2HD LYS 50 HD1 LYS 50 -12.194 -5.782 2.477 374 1HE LYS 50 HE2 LYS 50 -14.258 -6.660 1.839 375 2HE LYS 50 HE1 LYS 50 -13.575 -6.262 0.269 376 1HZ LYS 50 HZ3 LYS 50 -13.462 -8.925 1.569 377 2HZ LYS 50 HZ2 LYS 50 -14.502 -8.485 0.301 378 3HZ LYS 50 HZ1 LYS 50 -12.824 -8.535 0.044 379 H THR 51 HN THR 51 -6.366 -6.525 -0.757 380 HA THR 51 HA THR 51 -4.862 -5.515 1.616 381 HB THR 51 HB THR 51 -4.345 -8.163 0.175 382 HG1 THR 51 HG1 THR 51 -4.665 -8.797 2.418 383 1HG2 THR 51 HG23 THR 51 -2.362 -6.527 1.292 384 2HG2 THR 51 HG22 THR 51 -2.840 -7.560 2.629 385 3HG2 THR 51 HG21 THR 51 -2.263 -8.271 1.128 386 H PHE 52 HN PHE 52 -3.704 -3.814 0.833 387 HA PHE 52 HA PHE 52 -3.048 -3.612 -1.999 388 1HB PHE 52 HB2 PHE 52 -3.098 -1.868 0.288 389 2HB PHE 52 HB1 PHE 52 -1.564 -1.720 -0.555 390 HD1 PHE 52 HD1 PHE 52 -1.546 -1.128 -3.014 391 HD2 PHE 52 HD2 PHE 52 -5.121 -1.155 -0.740 392 HE1 PHE 52 HE1 PHE 52 -2.695 0.148 -4.781 393 HE2 PHE 52 HE2 PHE 52 -6.223 0.233 -2.416 394 HZ PHE 52 HZ PHE 52 -4.998 0.928 -4.422 395 H THR 53 HN THR 53 -0.765 -3.294 -2.715 396 HA THR 53 HA THR 53 1.329 -4.290 -0.924 397 HB THR 53 HB THR 53 0.504 -5.915 -3.359 398 HG1 THR 53 HG1 THR 53 0.334 -7.419 -1.472 399 1HG2 THR 53 HG21 THR 53 2.776 -6.181 -1.353 400 2HG2 THR 53 HG23 THR 53 2.240 -7.503 -2.385 401 3HG2 THR 53 HG22 THR 53 2.936 -6.053 -3.102 402 H VAL 54 HN VAL 54 3.262 -3.480 -1.473 403 HA VAL 54 HA VAL 54 3.628 -2.415 -4.241 404 HB VAL 54 HB VAL 54 2.993 -0.578 -2.627 405 1HG1 VAL 54 HG13 VAL 54 4.180 -1.720 -0.702 406 2HG1 VAL 54 HG12 VAL 54 5.693 -1.145 -1.388 407 3HG1 VAL 54 HG11 VAL 54 4.477 0.005 -0.843 408 1HG2 VAL 54 HG21 VAL 54 5.771 -0.578 -3.839 409 2HG2 VAL 54 HG23 VAL 54 4.296 0.064 -4.539 410 3HG2 VAL 54 HG22 VAL 54 5.025 0.858 -3.154 411 H THR 55 HN THR 55 5.818 -2.406 -4.925 412 HA THR 55 HA THR 55 7.800 -3.671 -3.103 413 HB THR 55 HB THR 55 7.148 -4.776 -5.871 414 HG1 THR 55 HG1 THR 55 5.861 -6.018 -4.734 415 1HG2 THR 55 HG21 THR 55 9.349 -5.192 -3.915 416 2HG2 THR 55 HG23 THR 55 8.552 -6.666 -4.457 417 3HG2 THR 55 HG22 THR 55 9.296 -5.586 -5.627 418 H GLU 56 HN GLU 56 9.693 -2.607 -3.266 419 HA GLU 56 HA GLU 56 10.078 -0.581 -5.316 420 1HB GLU 56 HB2 GLU 56 11.098 -1.022 -2.774 421 2HB GLU 56 HB1 GLU 56 12.475 -1.341 -3.818 422 1HG GLU 56 HG2 GLU 56 10.749 1.161 -3.940 423 2HG GLU 56 HG1 GLU 56 12.334 1.064 -3.178 Start of MODEL 30 Raw file had 423 H/Q atoms Entry Start of MODEL 30 1 1H MET 1 HT2 MET 1 -13.900 1.870 4.272 2 2H MET 1 HT1 MET 1 -15.265 0.924 3.911 3 3H MET 1 HT3 MET 1 -14.429 0.687 5.371 4 HA MET 1 HA MET 1 -13.708 -1.065 4.062 5 1HB MET 1 HB2 MET 1 -14.482 0.588 1.936 6 2HB MET 1 HB1 MET 1 -12.752 0.354 1.716 7 1HG MET 1 HG2 MET 1 -13.109 -2.101 2.038 8 2HG MET 1 HG1 MET 1 -14.827 -1.811 2.103 9 1HE MET 1 HE2 MET 1 -16.261 -0.938 0.185 10 2HE MET 1 HE1 MET 1 -16.104 -1.940 -1.257 11 3HE MET 1 HE3 MET 1 -16.139 -2.691 0.339 12 H THR 2 HN THR 2 -11.717 -1.676 4.600 13 HA THR 2 HA THR 2 -9.509 0.339 4.481 14 HB THR 2 HB THR 2 -9.757 -1.659 6.752 15 HG1 THR 2 HG1 THR 2 -11.231 0.529 6.105 16 1HG2 THR 2 HG22 THR 2 -7.641 -0.129 6.125 17 2HG2 THR 2 HG21 THR 2 -8.616 1.115 6.901 18 3HG2 THR 2 HG23 THR 2 -8.143 -0.322 7.802 19 OH TYR 3 OH TYR 3 -11.614 0.203 -0.962 20 H TYR 3 HN TYR 3 -7.873 -0.395 3.284 21 HA TYR 3 HA TYR 3 -7.679 -3.330 2.794 22 1HB TYR 3 HB2 TYR 3 -6.106 -1.232 1.324 23 2HB TYR 3 HB1 TYR 3 -6.577 -2.831 0.778 24 HD1 TYR 3 HD1 TYR 3 -7.974 0.500 1.714 25 HD2 TYR 3 HD2 TYR 3 -8.616 -3.137 -0.387 26 HE1 TYR 3 HE1 TYR 3 -10.013 1.433 0.721 27 HE2 TYR 3 HE2 TYR 3 -10.650 -2.205 -1.386 28 HH TYR 3 HH TYR 3 -11.603 0.002 -1.901 29 H LYS 4 HN LYS 4 -5.571 -4.326 2.792 30 HA LYS 4 HA LYS 4 -3.781 -3.129 4.864 31 1HB LYS 4 HB2 LYS 4 -4.959 -5.534 4.943 32 2HB LYS 4 HB1 LYS 4 -3.545 -5.981 4.002 33 1HG LYS 4 HG2 LYS 4 -2.292 -4.573 5.910 34 2HG LYS 4 HG1 LYS 4 -3.711 -5.053 6.835 35 1HD LYS 4 HD2 LYS 4 -3.300 -7.423 6.192 36 2HD LYS 4 HD1 LYS 4 -1.848 -6.921 5.334 37 1HE LYS 4 HE2 LYS 4 -0.771 -6.234 7.345 38 2HE LYS 4 HE1 LYS 4 -2.277 -6.258 8.253 39 1HZ LYS 4 HZ3 LYS 4 -2.253 -8.753 7.578 40 2HZ LYS 4 HZ2 LYS 4 -0.584 -8.494 7.403 41 3HZ LYS 4 HZ1 LYS 4 -1.336 -8.212 8.900 42 H LEU 5 HN LEU 5 -1.900 -2.322 4.139 43 HA LEU 5 HA LEU 5 -1.000 -3.006 1.419 44 1HB LEU 5 HB2 LEU 5 -0.889 -0.663 1.960 45 2HB LEU 5 HB1 LEU 5 -0.086 -0.982 3.487 46 HG LEU 5 HG LEU 5 1.929 -1.830 2.160 47 1HD1 LEU 5 HD12 LEU 5 0.394 -0.603 -0.153 48 2HD1 LEU 5 HD11 LEU 5 2.043 -1.209 -0.222 49 3HD1 LEU 5 HD13 LEU 5 0.711 -2.323 0.039 50 1HD2 LEU 5 HD23 LEU 5 1.632 0.537 3.059 51 2HD2 LEU 5 HD22 LEU 5 2.773 0.354 1.731 52 3HD2 LEU 5 HD21 LEU 5 1.164 0.989 1.426 53 H ILE 6 HN ILE 6 1.076 -3.832 0.960 54 HA ILE 6 HA ILE 6 2.517 -5.105 3.210 55 HB ILE 6 HB ILE 6 1.845 -6.271 0.506 56 1HG1 ILE 6 HG12 ILE 6 1.381 -7.288 3.337 57 2HG1 ILE 6 HG11 ILE 6 0.166 -6.452 2.380 58 1HG2 ILE 6 HG22 ILE 6 3.874 -7.126 2.589 59 2HG2 ILE 6 HG21 ILE 6 3.224 -8.252 1.404 60 3HG2 ILE 6 HG23 ILE 6 4.143 -6.854 0.871 61 1HD1 ILE 6 HD2 ILE 6 0.893 -8.373 0.601 62 2HD1 ILE 6 HD1 ILE 6 1.211 -9.227 2.107 63 3HD1 ILE 6 HD3 ILE 6 -0.396 -8.599 1.774 64 H LEU 7 HN LEU 7 4.277 -3.819 3.350 65 HA LEU 7 HA LEU 7 5.504 -2.648 0.979 66 1HB LEU 7 HB2 LEU 7 6.195 -2.621 3.905 67 2HB LEU 7 HB1 LEU 7 7.224 -1.867 2.695 68 HG LEU 7 HG LEU 7 4.336 -1.210 2.506 69 1HD1 LEU 7 HD12 LEU 7 6.083 -0.371 4.836 70 2HD1 LEU 7 HD11 LEU 7 4.666 0.546 4.336 71 3HD1 LEU 7 HD13 LEU 7 4.487 -1.111 4.902 72 1HD2 LEU 7 HD22 LEU 7 6.093 -0.204 1.062 73 2HD2 LEU 7 HD21 LEU 7 5.282 1.017 2.038 74 3HD2 LEU 7 HD23 LEU 7 6.884 0.446 2.495 75 H ASN 8 HN ASN 8 6.700 -3.865 -0.347 76 HA ASN 8 HA ASN 8 8.442 -5.968 0.862 77 1HB ASN 8 HB2 ASN 8 6.911 -5.720 -1.617 78 2HB ASN 8 HB1 ASN 8 8.561 -6.230 -1.909 79 1HD2 ASN 8 HD22 ASN 8 5.997 -8.929 -0.691 80 2HD2 ASN 8 HD21 ASN 8 5.613 -7.492 -1.497 81 H GLY 9 HN GLY 9 9.214 -3.321 1.211 82 1HA GLY 9 HA2 GLY 9 10.859 -2.146 -0.731 83 2HA GLY 9 HA1 GLY 9 11.162 -2.012 0.996 84 H LYS 10 HN LYS 10 13.026 -2.325 -1.274 85 HA LYS 10 HA LYS 10 14.102 -4.961 -1.392 86 1HB LYS 10 HB2 LYS 10 14.681 -3.090 -2.952 87 2HB LYS 10 HB1 LYS 10 15.616 -2.351 -1.656 88 1HG LYS 10 HG2 LYS 10 17.056 -4.334 -1.525 89 2HG LYS 10 HG1 LYS 10 16.084 -5.147 -2.747 90 1HD LYS 10 HD2 LYS 10 16.943 -3.879 -4.471 91 2HD LYS 10 HD1 LYS 10 17.149 -2.454 -3.458 92 1HE LYS 10 HE2 LYS 10 18.846 -4.945 -3.141 93 2HE LYS 10 HE1 LYS 10 19.310 -3.607 -4.184 94 1HZ LYS 10 HZ1 LYS 10 18.922 -2.189 -2.103 95 2HZ LYS 10 HZ3 LYS 10 19.037 -3.657 -1.254 96 3HZ LYS 10 HZ2 LYS 10 20.341 -3.118 -2.200 97 H THR 11 HN THR 11 15.144 -2.168 0.542 98 HA THR 11 HA THR 11 16.705 -4.014 2.273 99 HB THR 11 HB THR 11 17.385 -1.584 3.218 100 HG1 THR 11 HG1 THR 11 16.393 -0.168 1.997 101 1HG2 THR 11 HG23 THR 11 18.271 -2.588 0.484 102 2HG2 THR 11 HG22 THR 11 19.163 -1.466 1.506 103 3HG2 THR 11 HG21 THR 11 18.953 -3.139 2.010 104 H LEU 12 HN LEU 12 13.633 -3.091 2.184 105 HA LEU 12 HA LEU 12 13.371 -3.290 5.118 106 1HB LEU 12 HB2 LEU 12 13.657 -0.814 4.425 107 2HB LEU 12 HB1 LEU 12 12.033 -0.959 3.763 108 HG LEU 12 HG LEU 12 11.599 -2.072 6.182 109 1HD1 LEU 12 HD11 LEU 12 14.106 -1.569 6.667 110 2HD1 LEU 12 HD13 LEU 12 13.591 0.108 6.822 111 3HD1 LEU 12 HD12 LEU 12 12.929 -1.121 7.897 112 1HD2 LEU 12 HD23 LEU 12 11.716 0.909 5.598 113 2HD2 LEU 12 HD22 LEU 12 10.370 -0.160 5.216 114 3HD2 LEU 12 HD21 LEU 12 10.786 0.166 6.895 115 H LYS 13 HN LYS 13 11.356 -3.993 5.791 116 HA LYS 13 HA LYS 13 9.274 -4.403 3.701 117 1HB LYS 13 HB2 LYS 13 10.564 -6.501 5.427 118 2HB LYS 13 HB1 LYS 13 8.919 -6.716 4.847 119 1HG LYS 13 HG2 LYS 13 9.585 -6.958 2.654 120 2HG LYS 13 HG1 LYS 13 10.953 -5.869 2.838 121 1HD LYS 13 HD2 LYS 13 12.277 -7.541 3.902 122 2HD LYS 13 HD1 LYS 13 10.881 -8.573 4.189 123 1HE LYS 13 HE2 LYS 13 12.595 -8.883 2.081 124 2HE LYS 13 HE1 LYS 13 10.923 -9.431 2.073 125 1HZ LYS 13 HZ3 LYS 13 11.537 -6.666 1.301 126 2HZ LYS 13 HZ2 LYS 13 11.797 -7.921 0.187 127 3HZ LYS 13 HZ1 LYS 13 10.244 -7.658 0.823 128 H GLY 14 HN GLY 14 7.236 -4.027 4.429 129 1HA GLY 14 HA2 GLY 14 6.636 -4.188 7.304 130 2HA GLY 14 HA1 GLY 14 6.589 -2.562 6.633 131 H GLU 15 HN GLU 15 4.316 -2.723 7.355 132 HA GLU 15 HA GLU 15 2.551 -3.168 5.152 133 1HB GLU 15 HB2 GLU 15 1.218 -5.040 6.314 134 2HB GLU 15 HB1 GLU 15 2.715 -5.509 5.517 135 1HG GLU 15 HG2 GLU 15 3.915 -5.427 7.661 136 2HG GLU 15 HG1 GLU 15 2.456 -4.872 8.478 137 H THR 16 HN THR 16 0.750 -1.961 5.500 138 HA THR 16 HA THR 16 -0.159 -1.477 8.276 139 HB THR 16 HB THR 16 1.401 0.369 8.059 140 HG1 THR 16 HG1 THR 16 -0.457 2.020 7.515 141 1HG2 THR 16 HG23 THR 16 0.829 0.180 5.291 142 2HG2 THR 16 HG22 THR 16 0.156 1.722 5.804 143 3HG2 THR 16 HG21 THR 16 1.863 1.376 6.062 144 H THR 17 HN THR 17 -2.280 -0.559 8.393 145 HA THR 17 HA THR 17 -3.843 -1.008 5.881 146 HB THR 17 HB THR 17 -5.658 -1.749 7.239 147 HG1 THR 17 HG1 THR 17 -5.884 -0.929 9.260 148 1HG2 THR 17 HG21 THR 17 -3.214 -2.952 7.708 149 2HG2 THR 17 HG23 THR 17 -3.676 -2.449 9.330 150 3HG2 THR 17 HG22 THR 17 -4.731 -3.512 8.404 151 H THR 18 HN THR 18 -5.055 0.596 5.043 152 HA THR 18 HA THR 18 -5.325 3.127 6.627 153 HB THR 18 HB THR 18 -3.659 3.111 4.579 154 HG1 THR 18 HG1 THR 18 -5.803 4.850 5.204 155 1HG2 THR 18 HG21 THR 18 -5.686 2.129 3.131 156 2HG2 THR 18 HG23 THR 18 -6.183 3.817 3.101 157 3HG2 THR 18 HG22 THR 18 -4.618 3.348 2.444 158 H GLU 19 HN GLU 19 -7.255 4.269 6.379 159 HA GLU 19 HA GLU 19 -9.503 2.634 5.350 160 1HB GLU 19 HB2 GLU 19 -9.228 4.167 7.615 161 2HB GLU 19 HB1 GLU 19 -10.119 5.249 6.550 162 1HG GLU 19 HG2 GLU 19 -11.674 3.264 6.071 163 2HG GLU 19 HG1 GLU 19 -10.896 2.456 7.430 164 H ALA 20 HN ALA 20 -10.265 2.985 3.363 165 HA ALA 20 HA ALA 20 -10.257 5.763 2.287 166 1HB ALA 20 HB1 ALA 20 -8.829 3.398 1.187 167 2HB ALA 20 HB3 ALA 20 -9.657 4.433 0.027 168 3HB ALA 20 HB2 ALA 20 -8.418 5.106 1.082 169 H VAL 21 HN VAL 21 -11.676 5.980 0.369 170 HA VAL 21 HA VAL 21 -14.075 4.257 0.715 171 HB VAL 21 HB VAL 21 -14.418 6.679 0.891 172 1HG1 VAL 21 HG12 VAL 21 -12.486 7.286 -0.602 173 2HG1 VAL 21 HG11 VAL 21 -13.449 6.776 -1.987 174 3HG1 VAL 21 HG13 VAL 21 -13.969 8.144 -1.008 175 1HG2 VAL 21 HG23 VAL 21 -16.133 5.136 -0.209 176 2HG2 VAL 21 HG22 VAL 21 -16.274 6.840 -0.629 177 3HG2 VAL 21 HG21 VAL 21 -15.529 5.714 -1.760 178 H ASP 22 HN ASP 22 -11.626 5.117 -1.604 179 HA ASP 22 HA ASP 22 -12.738 3.062 -3.451 180 1HB ASP 22 HB2 ASP 22 -12.582 4.464 -5.365 181 2HB ASP 22 HB1 ASP 22 -13.386 5.447 -4.144 182 H ALA 23 HN ALA 23 -11.069 2.661 -5.272 183 HA ALA 23 HA ALA 23 -8.580 1.935 -3.958 184 1HB ALA 23 HB2 ALA 23 -9.691 1.601 -6.731 185 2HB ALA 23 HB1 ALA 23 -8.003 1.224 -6.397 186 3HB ALA 23 HB3 ALA 23 -9.282 0.361 -5.549 187 H ALA 24 HN ALA 24 -9.534 4.297 -6.403 188 HA ALA 24 HA ALA 24 -6.998 5.215 -7.194 189 1HB ALA 24 HB2 ALA 24 -9.428 5.945 -7.910 190 2HB ALA 24 HB1 ALA 24 -9.189 7.199 -6.698 191 3HB ALA 24 HB3 ALA 24 -8.089 7.077 -8.068 192 H THR 25 HN THR 25 -8.981 6.413 -4.492 193 HA THR 25 HA THR 25 -6.974 8.249 -3.552 194 HB THR 25 HB THR 25 -9.558 8.122 -2.973 195 HG1 THR 25 HG1 THR 25 -7.482 8.627 -1.087 196 1HG2 THR 25 HG21 THR 25 -9.058 5.801 -1.790 197 2HG2 THR 25 HG23 THR 25 -8.409 6.820 -0.511 198 3HG2 THR 25 HG22 THR 25 -10.097 6.969 -0.982 199 H ALA 26 HN ALA 26 -7.555 4.852 -3.042 200 HA ALA 26 HA ALA 26 -5.871 4.618 -0.689 201 1HB ALA 26 HB2 ALA 26 -7.608 2.939 -1.250 202 2HB ALA 26 HB1 ALA 26 -6.694 2.494 -2.687 203 3HB ALA 26 HB3 ALA 26 -6.019 2.197 -1.089 204 H GLU 27 HN GLU 27 -5.373 4.375 -4.154 205 HA GLU 27 HA GLU 27 -2.769 3.230 -4.125 206 1HB GLU 27 HB2 GLU 27 -4.204 5.041 -6.060 207 2HB GLU 27 HB1 GLU 27 -2.569 4.478 -6.365 208 1HG GLU 27 HG2 GLU 27 -3.363 2.121 -6.103 209 2HG GLU 27 HG1 GLU 27 -5.004 2.728 -5.900 210 H LYS 28 HN LYS 28 -3.754 6.653 -4.251 211 HA LYS 28 HA LYS 28 -1.011 7.595 -4.054 212 1HB LYS 28 HB2 LYS 28 -1.918 9.778 -4.101 213 2HB LYS 28 HB1 LYS 28 -3.007 8.821 -5.100 214 1HG LYS 28 HG2 LYS 28 -4.354 8.447 -2.910 215 2HG LYS 28 HG1 LYS 28 -3.427 9.803 -2.275 216 1HD LYS 28 HD2 LYS 28 -4.149 11.115 -4.337 217 2HD LYS 28 HD1 LYS 28 -5.257 9.795 -4.693 218 1HE LYS 28 HE2 LYS 28 -5.686 10.351 -1.980 219 2HE LYS 28 HE1 LYS 28 -5.512 11.934 -2.727 220 1HZ LYS 28 HZ2 LYS 28 -7.084 10.591 -4.473 221 2HZ LYS 28 HZ1 LYS 28 -7.629 10.018 -2.969 222 3HZ LYS 28 HZ3 LYS 28 -7.628 11.686 -3.294 223 H VAL 29 HN VAL 29 -3.643 7.098 -1.763 224 HA VAL 29 HA VAL 29 -2.501 8.482 0.451 225 HB VAL 29 HB VAL 29 -4.355 6.104 0.302 226 1HG1 VAL 29 HG13 VAL 29 -3.150 7.525 2.674 227 2HG1 VAL 29 HG12 VAL 29 -4.755 6.810 2.788 228 3HG1 VAL 29 HG11 VAL 29 -3.363 5.795 2.422 229 1HG2 VAL 29 HG21 VAL 29 -4.870 8.663 -0.311 230 2HG2 VAL 29 HG23 VAL 29 -6.055 7.664 0.524 231 3HG2 VAL 29 HG22 VAL 29 -5.047 8.783 1.436 232 H PHE 30 HN PHE 30 -2.457 4.973 -0.169 233 HA PHE 30 HA PHE 30 -0.584 4.321 1.851 234 1HB PHE 30 HB2 PHE 30 -1.501 3.034 -0.678 235 2HB PHE 30 HB1 PHE 30 -0.016 2.425 0.036 236 HD1 PHE 30 HD1 PHE 30 -0.258 2.237 2.792 237 HD2 PHE 30 HD2 PHE 30 -3.425 1.875 -0.038 238 HE1 PHE 30 HE1 PHE 30 -1.586 0.970 4.426 239 HE2 PHE 30 HE2 PHE 30 -4.726 0.599 1.599 240 HZ PHE 30 HZ PHE 30 -3.806 0.111 3.817 241 H LYS 31 HN LYS 31 -0.109 5.530 -1.407 242 HA LYS 31 HA LYS 31 2.704 5.024 -1.586 243 1HB LYS 31 HB2 LYS 31 1.469 5.586 -3.580 244 2HB LYS 31 HB1 LYS 31 0.971 7.131 -2.887 245 1HG LYS 31 HG2 LYS 31 3.013 8.114 -3.262 246 2HG LYS 31 HG1 LYS 31 3.901 6.626 -2.955 247 1HD LYS 31 HD2 LYS 31 3.282 5.748 -5.145 248 2HD LYS 31 HD1 LYS 31 2.243 7.136 -5.446 249 1HE LYS 31 HE2 LYS 31 4.001 8.499 -5.966 250 2HE LYS 31 HE1 LYS 31 5.026 7.817 -4.710 251 1HZ LYS 31 HZ2 LYS 31 5.017 5.765 -6.280 252 2HZ LYS 31 HZ1 LYS 31 4.612 6.911 -7.467 253 3HZ LYS 31 HZ3 LYS 31 6.055 7.074 -6.586 254 H GLN 32 HN GLN 32 0.856 7.728 -0.273 255 HA GLN 32 HA GLN 32 3.062 9.470 0.216 256 1HB GLN 32 HB2 GLN 32 0.971 10.487 0.491 257 2HB GLN 32 HB1 GLN 32 0.339 9.151 1.445 258 1HG GLN 32 HG2 GLN 32 1.519 9.813 3.382 259 2HG GLN 32 HG1 GLN 32 2.660 10.790 2.463 260 1HE2 GLN 32 HE22 GLN 32 0.014 12.961 4.108 261 2HE2 GLN 32 HE21 GLN 32 1.021 11.734 4.714 262 OH TYR 33 OH TYR 33 4.793 2.551 8.345 263 H TYR 33 HN TYR 33 1.781 6.730 1.970 264 HA TYR 33 HA TYR 33 3.287 7.121 4.389 265 1HB TYR 33 HB2 TYR 33 1.350 5.598 4.282 266 2HB TYR 33 HB1 TYR 33 2.226 4.563 3.160 267 HD1 TYR 33 HD1 TYR 33 4.349 3.438 3.930 268 HD2 TYR 33 HD2 TYR 33 1.770 5.458 6.640 269 HE1 TYR 33 HE1 TYR 33 5.412 2.276 5.805 270 HE2 TYR 33 HE2 TYR 33 2.832 4.293 8.519 271 HH TYR 33 HH TYR 33 5.592 2.131 8.020 272 H ALA 34 HN ALA 34 3.801 4.800 1.749 273 HA ALA 34 HA ALA 34 6.309 3.826 2.448 274 1HB ALA 34 HB3 ALA 34 4.943 4.313 -0.159 275 2HB ALA 34 HB2 ALA 34 6.657 3.914 -0.198 276 3HB ALA 34 HB1 ALA 34 5.512 2.801 0.542 277 H ASN 35 HN ASN 35 5.514 6.950 1.097 278 HA ASN 35 HA ASN 35 8.099 7.774 0.260 279 1HB ASN 35 HB2 ASN 35 5.894 8.991 -0.102 280 2HB ASN 35 HB1 ASN 35 6.048 9.582 1.551 281 1HD2 ASN 35 HD22 ASN 35 8.715 11.821 0.794 282 2HD2 ASN 35 HD21 ASN 35 7.925 10.984 2.041 283 H ASP 36 HN ASP 36 6.566 7.841 3.433 284 HA ASP 36 HA ASP 36 8.716 9.282 4.727 285 1HB ASP 36 HB2 ASP 36 6.252 7.871 5.559 286 2HB ASP 36 HB1 ASP 36 7.531 7.942 6.768 287 H ASN 37 HN ASN 37 9.068 6.567 3.185 288 HA ASN 37 HA ASN 37 11.038 5.494 5.147 289 1HB ASN 37 HB2 ASN 37 8.898 3.910 3.716 290 2HB ASN 37 HB1 ASN 37 10.326 3.157 4.421 291 1HD2 ASN 37 HD22 ASN 37 7.680 4.989 6.995 292 2HD2 ASN 37 HD21 ASN 37 7.894 5.630 5.438 293 H GLY 38 HN GLY 38 9.926 5.788 1.842 294 1HA GLY 38 HA2 GLY 38 11.446 6.163 -0.001 295 2HA GLY 38 HA1 GLY 38 12.725 5.394 0.935 296 H VAL 39 HN VAL 39 9.457 4.464 -0.147 297 HA VAL 39 HA VAL 39 10.656 2.069 -1.465 298 HB VAL 39 HB VAL 39 8.317 2.067 0.462 299 1HG1 VAL 39 HG13 VAL 39 9.157 0.211 -1.702 300 2HG1 VAL 39 HG12 VAL 39 8.791 -0.546 -0.155 301 3HG1 VAL 39 HG11 VAL 39 7.572 0.430 -0.968 302 1HG2 VAL 39 HG22 VAL 39 10.599 2.034 1.472 303 2HG2 VAL 39 HG21 VAL 39 9.742 0.518 1.736 304 3HG2 VAL 39 HG23 VAL 39 10.990 0.621 0.498 305 H ASP 40 HN ASP 40 10.264 3.246 -3.425 306 HA ASP 40 HA ASP 40 7.387 3.188 -4.249 307 1HB ASP 40 HB2 ASP 40 9.439 5.270 -5.045 308 2HB ASP 40 HB1 ASP 40 7.761 5.218 -5.576 309 H GLY 41 HN GLY 41 6.977 2.291 -6.208 310 1HA GLY 41 HA2 GLY 41 8.718 2.108 -8.416 311 2HA GLY 41 HA1 GLY 41 9.004 0.667 -7.443 312 H GLU 42 HN GLU 42 7.575 -0.989 -7.556 313 HA GLU 42 HA GLU 42 5.368 -0.715 -9.515 314 1HB GLU 42 HB2 GLU 42 6.470 -3.147 -8.104 315 2HB GLU 42 HB1 GLU 42 5.267 -3.175 -9.385 316 1HG GLU 42 HG2 GLU 42 6.813 -2.439 -11.017 317 2HG GLU 42 HG1 GLU 42 7.935 -1.823 -9.808 318 CH2 TRP 43 CH2 TRP 43 2.056 2.482 -2.259 319 H TRP 43 HN TRP 43 3.233 -0.936 -8.983 320 HA TRP 43 HA TRP 43 2.599 -1.347 -6.083 321 1HB TRP 43 HB2 TRP 43 1.646 0.738 -8.015 322 2HB TRP 43 HB1 TRP 43 0.639 0.275 -6.653 323 HD1 TRP 43 HD1 TRP 43 4.249 1.456 -7.384 324 HE1 TRP 43 HE1 TRP 43 4.996 2.768 -5.339 325 HE3 TRP 43 HE3 TRP 43 0.280 0.705 -4.480 326 HZ2 TRP 43 HZ2 TRP 43 3.978 3.339 -2.608 327 HZ3 TRP 43 HZ3 TRP 43 0.152 1.527 -2.186 328 HH2 TRP 43 HH2 TRP 43 1.997 2.838 -1.242 329 H THR 44 HN THR 44 1.159 -2.880 -5.671 330 HA THR 44 HA THR 44 -0.529 -3.884 -7.937 331 HB THR 44 HB THR 44 -0.437 -6.098 -6.529 332 HG1 THR 44 HG1 THR 44 1.892 -4.726 -5.661 333 1HG2 THR 44 HG23 THR 44 0.886 -5.640 -8.693 334 2HG2 THR 44 HG22 THR 44 2.205 -5.109 -7.654 335 3HG2 THR 44 HG21 THR 44 1.637 -6.774 -7.575 336 OH TYR 45 OH TYR 45 -8.926 -1.256 -3.089 337 H TYR 45 HN TYR 45 -2.511 -5.031 -7.184 338 HA TYR 45 HA TYR 45 -3.638 -3.941 -4.651 339 1HB TYR 45 HB2 TYR 45 -4.167 -2.513 -6.752 340 2HB TYR 45 HB1 TYR 45 -5.194 -3.861 -7.246 341 HD1 TYR 45 HD1 TYR 45 -6.693 -4.715 -4.923 342 HD2 TYR 45 HD2 TYR 45 -5.409 -0.780 -5.878 343 HE1 TYR 45 HE1 TYR 45 -8.430 -3.800 -3.481 344 HE2 TYR 45 HE2 TYR 45 -7.192 0.131 -4.484 345 HH TYR 45 HH TYR 45 -9.735 -1.735 -3.280 346 H ASP 46 HN ASP 46 -4.653 -5.520 -3.562 347 HA ASP 46 HA ASP 46 -5.458 -7.985 -5.062 348 1HB ASP 46 HB2 ASP 46 -3.664 -8.033 -3.166 349 2HB ASP 46 HB1 ASP 46 -5.046 -7.892 -2.088 350 H ASP 47 HN ASP 47 -7.544 -7.244 -5.593 351 HA ASP 47 HA ASP 47 -9.354 -6.232 -3.550 352 1HB ASP 47 HB2 ASP 47 -9.579 -5.637 -5.953 353 2HB ASP 47 HB1 ASP 47 -9.977 -7.316 -6.311 354 H ALA 48 HN ALA 48 -8.263 -9.305 -4.427 355 HA ALA 48 HA ALA 48 -10.603 -10.883 -3.958 356 1HB ALA 48 HB2 ALA 48 -7.835 -11.341 -4.475 357 2HB ALA 48 HB1 ALA 48 -8.290 -12.301 -3.069 358 3HB ALA 48 HB3 ALA 48 -9.166 -12.490 -4.585 359 H THR 49 HN THR 49 -8.320 -9.356 -1.811 360 HA THR 49 HA THR 49 -10.016 -10.196 0.483 361 HB THR 49 HB THR 49 -7.685 -10.495 1.738 362 HG1 THR 49 HG1 THR 49 -6.873 -11.491 -0.698 363 1HG2 THR 49 HG22 THR 49 -8.797 -12.484 -0.280 364 2HG2 THR 49 HG21 THR 49 -7.571 -12.887 0.918 365 3HG2 THR 49 HG23 THR 49 -9.187 -12.418 1.436 366 H LYS 50 HN LYS 50 -9.223 -7.706 -1.146 367 HA LYS 50 HA LYS 50 -8.820 -5.440 -0.698 368 1HB LYS 50 HB2 LYS 50 -9.974 -6.391 1.929 369 2HB LYS 50 HB1 LYS 50 -9.637 -4.697 1.591 370 1HG LYS 50 HG2 LYS 50 -11.310 -4.540 -0.012 371 2HG LYS 50 HG1 LYS 50 -11.206 -6.245 -0.438 372 1HD LYS 50 HD2 LYS 50 -12.114 -5.534 2.330 373 2HD LYS 50 HD1 LYS 50 -13.249 -5.318 1.002 374 1HE LYS 50 HE2 LYS 50 -13.123 -7.627 0.389 375 2HE LYS 50 HE1 LYS 50 -11.706 -7.893 1.397 376 1HZ LYS 50 HZ3 LYS 50 -14.122 -6.926 2.713 377 2HZ LYS 50 HZ2 LYS 50 -14.120 -8.538 2.177 378 3HZ LYS 50 HZ1 LYS 50 -12.936 -8.006 3.271 379 H THR 51 HN THR 51 -6.524 -6.486 -0.833 380 HA THR 51 HA THR 51 -5.010 -5.491 1.546 381 HB THR 51 HB THR 51 -4.792 -8.208 0.211 382 HG1 THR 51 HG1 THR 51 -6.005 -8.079 2.056 383 1HG2 THR 51 HG21 THR 51 -2.728 -6.847 1.986 384 2HG2 THR 51 HG23 THR 51 -2.717 -8.544 1.536 385 3HG2 THR 51 HG22 THR 51 -2.459 -7.310 0.310 386 H PHE 52 HN PHE 52 -3.742 -3.853 0.800 387 HA PHE 52 HA PHE 52 -3.061 -3.669 -2.033 388 1HB PHE 52 HB2 PHE 52 -3.054 -1.922 0.264 389 2HB PHE 52 HB1 PHE 52 -1.534 -1.810 -0.611 390 HD1 PHE 52 HD1 PHE 52 -1.551 -1.194 -3.063 391 HD2 PHE 52 HD2 PHE 52 -5.096 -1.189 -0.743 392 HE1 PHE 52 HE1 PHE 52 -2.706 0.121 -4.800 393 HE2 PHE 52 HE2 PHE 52 -6.199 0.227 -2.390 394 HZ PHE 52 HZ PHE 52 -4.992 0.920 -4.408 395 H THR 53 HN THR 53 -0.763 -3.381 -2.712 396 HA THR 53 HA THR 53 1.307 -4.415 -0.929 397 HB THR 53 HB THR 53 0.445 -6.049 -3.346 398 HG1 THR 53 HG1 THR 53 -0.560 -7.140 -1.827 399 1HG2 THR 53 HG23 THR 53 2.889 -6.002 -1.632 400 2HG2 THR 53 HG22 THR 53 2.161 -7.585 -1.884 401 3HG2 THR 53 HG21 THR 53 2.697 -6.632 -3.265 402 H VAL 54 HN VAL 54 3.259 -3.623 -1.504 403 HA VAL 54 HA VAL 54 3.581 -2.584 -4.290 404 HB VAL 54 HB VAL 54 2.993 -0.735 -2.671 405 1HG1 VAL 54 HG12 VAL 54 4.243 -1.870 -0.776 406 2HG1 VAL 54 HG11 VAL 54 5.732 -1.293 -1.515 407 3HG1 VAL 54 HG13 VAL 54 4.529 -0.145 -0.939 408 1HG2 VAL 54 HG23 VAL 54 5.723 -0.765 -3.983 409 2HG2 VAL 54 HG22 VAL 54 4.228 -0.111 -4.629 410 3HG2 VAL 54 HG21 VAL 54 5.021 0.682 -3.278 411 H THR 55 HN THR 55 5.719 -2.624 -5.041 412 HA THR 55 HA THR 55 7.738 -3.913 -3.274 413 HB THR 55 HB THR 55 7.327 -4.882 -6.118 414 HG1 THR 55 HG1 THR 55 5.500 -5.633 -5.362 415 1HG2 THR 55 HG22 THR 55 9.172 -5.516 -4.045 416 2HG2 THR 55 HG21 THR 55 7.993 -6.825 -4.067 417 3HG2 THR 55 HG23 THR 55 8.896 -6.429 -5.520 418 H GLU 56 HN GLU 56 9.396 -2.506 -3.282 419 HA GLU 56 HA GLU 56 9.837 -0.502 -5.259 420 1HB GLU 56 HB2 GLU 56 10.889 -1.050 -2.793 421 2HB GLU 56 HB1 GLU 56 12.241 -1.452 -3.844 422 1HG GLU 56 HG2 GLU 56 11.795 0.801 -5.010 423 2HG GLU 56 HG1 GLU 56 10.763 1.182 -3.633 Start of MODEL 31 Raw file had 423 H/Q atoms Entry Start of MODEL 31 1 1H MET 1 HT2 MET 1 -13.369 2.429 4.174 2 2H MET 1 HT1 MET 1 -14.740 1.876 3.338 3 3H MET 1 HT3 MET 1 -14.481 1.404 4.948 4 HA MET 1 HA MET 1 -13.631 -0.445 4.061 5 1HB MET 1 HB2 MET 1 -12.860 1.071 1.558 6 2HB MET 1 HB1 MET 1 -12.966 -0.674 1.757 7 1HG MET 1 HG2 MET 1 -15.449 0.325 2.591 8 2HG MET 1 HG1 MET 1 -15.057 1.251 1.168 9 1HE MET 1 HE1 MET 1 -15.911 -2.120 2.725 10 2HE MET 1 HE3 MET 1 -17.286 -1.130 2.235 11 3HE MET 1 HE2 MET 1 -17.004 -2.691 1.466 12 H THR 2 HN THR 2 -11.703 -1.247 4.642 13 HA THR 2 HA THR 2 -9.316 0.560 4.500 14 HB THR 2 HB THR 2 -9.782 -1.396 6.776 15 HG1 THR 2 HG1 THR 2 -11.123 0.054 7.549 16 1HG2 THR 2 HG22 THR 2 -7.518 -0.080 6.167 17 2HG2 THR 2 HG21 THR 2 -8.379 1.250 6.937 18 3HG2 THR 2 HG23 THR 2 -8.055 -0.227 7.837 19 OH TYR 3 OH TYR 3 -11.592 0.166 -1.016 20 H TYR 3 HN TYR 3 -7.761 -0.307 3.292 21 HA TYR 3 HA TYR 3 -7.773 -3.258 2.859 22 1HB TYR 3 HB2 TYR 3 -6.108 -1.259 1.340 23 2HB TYR 3 HB1 TYR 3 -6.596 -2.870 0.840 24 HD1 TYR 3 HD1 TYR 3 -7.975 0.498 1.688 25 HD2 TYR 3 HD2 TYR 3 -8.612 -3.172 -0.353 26 HE1 TYR 3 HE1 TYR 3 -10.000 1.421 0.655 27 HE2 TYR 3 HE2 TYR 3 -10.634 -2.252 -1.388 28 HH TYR 3 HH TYR 3 -11.664 -0.194 -1.902 29 H LYS 4 HN LYS 4 -5.614 -4.303 2.704 30 HA LYS 4 HA LYS 4 -3.839 -3.274 4.876 31 1HB LYS 4 HB2 LYS 4 -5.044 -5.618 4.912 32 2HB LYS 4 HB1 LYS 4 -3.785 -6.089 3.795 33 1HG LYS 4 HG2 LYS 4 -2.345 -6.382 5.503 34 2HG LYS 4 HG1 LYS 4 -2.532 -4.707 5.987 35 1HD LYS 4 HD2 LYS 4 -3.190 -6.146 7.846 36 2HD LYS 4 HD1 LYS 4 -4.622 -5.341 7.218 37 1HE LYS 4 HE2 LYS 4 -5.574 -7.332 6.765 38 2HE LYS 4 HE1 LYS 4 -4.218 -7.765 5.732 39 1HZ LYS 4 HZ2 LYS 4 -3.596 -7.944 8.521 40 2HZ LYS 4 HZ1 LYS 4 -4.879 -8.961 8.072 41 3HZ LYS 4 HZ3 LYS 4 -3.380 -9.087 7.284 42 H LEU 5 HN LEU 5 -1.912 -2.473 4.218 43 HA LEU 5 HA LEU 5 -1.006 -3.071 1.472 44 1HB LEU 5 HB2 LEU 5 -0.869 -0.751 2.095 45 2HB LEU 5 HB1 LEU 5 -0.069 -1.128 3.611 46 HG LEU 5 HG LEU 5 1.929 -1.962 2.249 47 1HD1 LEU 5 HD11 LEU 5 0.368 -0.667 -0.009 48 2HD1 LEU 5 HD13 LEU 5 2.031 -1.228 -0.116 49 3HD1 LEU 5 HD12 LEU 5 0.730 -2.383 0.122 50 1HD2 LEU 5 HD22 LEU 5 1.665 0.383 3.224 51 2HD2 LEU 5 HD21 LEU 5 2.801 0.226 1.889 52 3HD2 LEU 5 HD23 LEU 5 1.199 0.891 1.605 53 H ILE 6 HN ILE 6 1.060 -3.924 1.007 54 HA ILE 6 HA ILE 6 2.474 -5.264 3.235 55 HB ILE 6 HB ILE 6 2.086 -6.441 0.474 56 1HG1 ILE 6 HG12 ILE 6 0.609 -6.900 3.083 57 2HG1 ILE 6 HG11 ILE 6 -0.077 -6.433 1.532 58 1HG2 ILE 6 HG21 ILE 6 4.117 -7.070 1.955 59 2HG2 ILE 6 HG23 ILE 6 2.943 -7.837 3.017 60 3HG2 ILE 6 HG22 ILE 6 3.124 -8.392 1.356 61 1HD1 ILE 6 HD3 ILE 6 0.906 -8.656 0.637 62 2HD1 ILE 6 HD2 ILE 6 1.091 -9.106 2.329 63 3HD1 ILE 6 HD1 ILE 6 -0.506 -8.766 1.680 64 H LEU 7 HN LEU 7 4.249 -3.998 3.381 65 HA LEU 7 HA LEU 7 5.516 -2.853 1.015 66 1HB LEU 7 HB2 LEU 7 6.229 -2.865 3.942 67 2HB LEU 7 HB1 LEU 7 7.248 -2.106 2.725 68 HG LEU 7 HG LEU 7 4.413 -1.378 2.468 69 1HD1 LEU 7 HD13 LEU 7 5.958 -0.616 4.971 70 2HD1 LEU 7 HD12 LEU 7 4.443 0.123 4.462 71 3HD1 LEU 7 HD11 LEU 7 4.483 -1.577 4.918 72 1HD2 LEU 7 HD23 LEU 7 6.317 -0.283 1.290 73 2HD2 LEU 7 HD22 LEU 7 5.413 0.864 2.274 74 3HD2 LEU 7 HD21 LEU 7 6.957 0.240 2.845 75 H ASN 8 HN ASN 8 6.757 -4.007 -0.297 76 HA ASN 8 HA ASN 8 8.403 -6.208 0.874 77 1HB ASN 8 HB2 ASN 8 6.800 -5.929 -1.534 78 2HB ASN 8 HB1 ASN 8 8.436 -6.410 -1.926 79 1HD2 ASN 8 HD22 ASN 8 6.026 -9.221 -0.763 80 2HD2 ASN 8 HD21 ASN 8 5.623 -7.806 -1.597 81 H GLY 9 HN GLY 9 9.202 -3.526 1.144 82 1HA GLY 9 HA2 GLY 9 10.913 -2.500 -0.839 83 2HA GLY 9 HA1 GLY 9 11.151 -2.235 0.882 84 H LYS 10 HN LYS 10 13.088 -2.754 -1.316 85 HA LYS 10 HA LYS 10 14.157 -5.383 -1.169 86 1HB LYS 10 HB2 LYS 10 14.834 -3.541 -2.782 87 2HB LYS 10 HB1 LYS 10 15.789 -2.854 -1.473 88 1HG LYS 10 HG2 LYS 10 17.018 -5.008 -1.261 89 2HG LYS 10 HG1 LYS 10 16.088 -5.655 -2.608 90 1HD LYS 10 HD2 LYS 10 17.064 -4.140 -4.156 91 2HD LYS 10 HD1 LYS 10 17.660 -3.088 -2.877 92 1HE LYS 10 HE2 LYS 10 19.415 -4.587 -3.969 93 2HE LYS 10 HE1 LYS 10 19.325 -4.684 -2.215 94 1HZ LYS 10 HZ1 LYS 10 17.641 -6.520 -3.718 95 2HZ LYS 10 HZ3 LYS 10 19.314 -6.811 -3.761 96 3HZ LYS 10 HZ2 LYS 10 18.497 -6.762 -2.272 97 H THR 11 HN THR 11 15.320 -2.479 0.529 98 HA THR 11 HA THR 11 16.617 -4.236 2.534 99 HB THR 11 HB THR 11 17.387 -1.773 3.310 100 HG1 THR 11 HG1 THR 11 15.783 -1.225 1.457 101 1HG2 THR 11 HG22 THR 11 18.359 -3.050 0.723 102 2HG2 THR 11 HG21 THR 11 19.259 -1.894 1.700 103 3HG2 THR 11 HG23 THR 11 18.926 -3.506 2.326 104 H LEU 12 HN LEU 12 13.630 -3.229 2.159 105 HA LEU 12 HA LEU 12 13.184 -3.000 5.080 106 1HB LEU 12 HB2 LEU 12 13.414 -0.672 4.028 107 2HB LEU 12 HB1 LEU 12 11.894 -1.014 3.209 108 HG LEU 12 HG LEU 12 11.203 -1.733 5.721 109 1HD1 LEU 12 HD12 LEU 12 13.593 -1.004 6.413 110 2HD1 LEU 12 HD11 LEU 12 13.017 0.643 6.175 111 3HD1 LEU 12 HD13 LEU 12 12.253 -0.392 7.378 112 1HD2 LEU 12 HD21 LEU 12 11.248 1.078 4.571 113 2HD2 LEU 12 HD23 LEU 12 9.983 -0.125 4.341 114 3HD2 LEU 12 HD22 LEU 12 10.250 0.577 5.933 115 H LYS 13 HN LYS 13 11.175 -3.739 5.738 116 HA LYS 13 HA LYS 13 9.158 -4.428 3.694 117 1HB LYS 13 HB2 LYS 13 10.562 -6.483 5.414 118 2HB LYS 13 HB1 LYS 13 9.033 -6.796 4.604 119 1HG LYS 13 HG2 LYS 13 10.164 -6.112 2.431 120 2HG LYS 13 HG1 LYS 13 11.687 -6.095 3.313 121 1HD LYS 13 HD2 LYS 13 11.359 -8.462 3.940 122 2HD LYS 13 HD1 LYS 13 9.823 -8.481 3.081 123 1HE LYS 13 HE2 LYS 13 12.124 -7.502 1.494 124 2HE LYS 13 HE1 LYS 13 12.210 -9.198 1.951 125 1HZ LYS 13 HZ1 LYS 13 9.799 -9.271 1.122 126 2HZ LYS 13 HZ3 LYS 13 10.184 -7.825 0.318 127 3HZ LYS 13 HZ2 LYS 13 11.054 -9.243 -0.021 128 H GLY 14 HN GLY 14 7.100 -4.431 4.508 129 1HA GLY 14 HA2 GLY 14 6.515 -4.790 7.316 130 2HA GLY 14 HA1 GLY 14 6.501 -3.084 6.885 131 H GLU 15 HN GLU 15 4.233 -3.157 7.462 132 HA GLU 15 HA GLU 15 2.507 -3.391 5.198 133 1HB GLU 15 HB2 GLU 15 1.070 -5.265 6.079 134 2HB GLU 15 HB1 GLU 15 2.653 -5.786 5.517 135 1HG GLU 15 HG2 GLU 15 2.900 -5.036 8.274 136 2HG GLU 15 HG1 GLU 15 1.518 -6.115 8.122 137 H THR 16 HN THR 16 0.728 -2.162 5.566 138 HA THR 16 HA THR 16 -0.205 -1.754 8.344 139 HB THR 16 HB THR 16 1.428 0.047 8.198 140 HG1 THR 16 HG1 THR 16 -1.245 0.792 7.569 141 1HG2 THR 16 HG21 THR 16 0.889 -0.021 5.435 142 2HG2 THR 16 HG23 THR 16 0.180 1.493 5.984 143 3HG2 THR 16 HG22 THR 16 1.890 1.169 6.259 144 H THR 17 HN THR 17 -2.303 -0.835 8.473 145 HA THR 17 HA THR 17 -3.835 -1.110 5.925 146 HB THR 17 HB THR 17 -5.697 -1.814 7.235 147 HG1 THR 17 HG1 THR 17 -5.470 0.058 8.601 148 1HG2 THR 17 HG21 THR 17 -3.536 -3.297 7.574 149 2HG2 THR 17 HG23 THR 17 -3.509 -2.566 9.176 150 3HG2 THR 17 HG22 THR 17 -4.896 -3.524 8.669 151 H THR 18 HN THR 18 -5.032 0.553 5.147 152 HA THR 18 HA THR 18 -5.209 3.040 6.804 153 HB THR 18 HB THR 18 -3.431 3.037 4.855 154 HG1 THR 18 HG1 THR 18 -5.540 4.944 5.044 155 1HG2 THR 18 HG22 THR 18 -5.419 2.217 3.253 156 2HG2 THR 18 HG21 THR 18 -5.823 3.931 3.267 157 3HG2 THR 18 HG23 THR 18 -4.248 3.401 2.683 158 H GLU 19 HN GLU 19 -7.025 4.359 6.397 159 HA GLU 19 HA GLU 19 -9.345 2.849 5.378 160 1HB GLU 19 HB2 GLU 19 -9.041 5.471 6.845 161 2HB GLU 19 HB1 GLU 19 -10.591 4.924 6.216 162 1HG GLU 19 HG2 GLU 19 -10.511 2.916 7.570 163 2HG GLU 19 HG1 GLU 19 -8.852 3.254 8.060 164 H ALA 20 HN ALA 20 -10.122 3.096 3.385 165 HA ALA 20 HA ALA 20 -9.713 5.688 1.977 166 1HB ALA 20 HB3 ALA 20 -8.508 3.107 1.292 167 2HB ALA 20 HB2 ALA 20 -9.399 3.828 -0.044 168 3HB ALA 20 HB1 ALA 20 -8.092 4.720 0.727 169 H VAL 21 HN VAL 21 -11.475 6.330 0.867 170 HA VAL 21 HA VAL 21 -13.893 4.701 1.035 171 HB VAL 21 HB VAL 21 -14.100 7.096 1.338 172 1HG1 VAL 21 HG11 VAL 21 -12.918 7.274 -1.457 173 2HG1 VAL 21 HG13 VAL 21 -13.564 8.639 -0.550 174 3HG1 VAL 21 HG12 VAL 21 -12.135 7.792 0.033 175 1HG2 VAL 21 HG22 VAL 21 -15.777 5.649 -0.149 176 2HG2 VAL 21 HG21 VAL 21 -15.997 7.387 0.026 177 3HG2 VAL 21 HG23 VAL 21 -15.225 6.738 -1.418 178 H ASP 22 HN ASP 22 -11.353 4.966 -1.167 179 HA ASP 22 HA ASP 22 -12.783 3.263 -3.086 180 1HB ASP 22 HB2 ASP 22 -12.557 4.705 -4.990 181 2HB ASP 22 HB1 ASP 22 -13.310 5.669 -3.723 182 H ALA 23 HN ALA 23 -11.262 2.699 -4.959 183 HA ALA 23 HA ALA 23 -8.746 1.815 -3.808 184 1HB ALA 23 HB3 ALA 23 -10.040 1.589 -6.513 185 2HB ALA 23 HB2 ALA 23 -8.361 1.110 -6.292 186 3HB ALA 23 HB1 ALA 23 -9.633 0.309 -5.374 187 H ALA 24 HN ALA 24 -9.749 4.406 -5.932 188 HA ALA 24 HA ALA 24 -7.183 5.145 -6.940 189 1HB ALA 24 HB2 ALA 24 -9.739 6.046 -7.312 190 2HB ALA 24 HB1 ALA 24 -9.040 7.365 -6.379 191 3HB ALA 24 HB3 ALA 24 -8.302 6.877 -7.900 192 H THR 25 HN THR 25 -9.016 6.603 -4.250 193 HA THR 25 HA THR 25 -6.871 8.244 -3.337 194 HB THR 25 HB THR 25 -9.369 8.387 -2.654 195 HG1 THR 25 HG1 THR 25 -8.494 8.910 -0.419 196 1HG2 THR 25 HG22 THR 25 -9.041 5.856 -1.693 197 2HG2 THR 25 HG21 THR 25 -8.572 6.781 -0.271 198 3HG2 THR 25 HG23 THR 25 -10.171 6.999 -0.975 199 H ALA 26 HN ALA 26 -7.555 4.870 -2.893 200 HA ALA 26 HA ALA 26 -5.883 4.486 -0.563 201 1HB ALA 26 HB3 ALA 26 -7.634 2.863 -1.289 202 2HB ALA 26 HB2 ALA 26 -6.646 2.468 -2.692 203 3HB ALA 26 HB1 ALA 26 -6.061 2.104 -1.071 204 H GLU 27 HN GLU 27 -5.352 4.384 -4.036 205 HA GLU 27 HA GLU 27 -2.708 3.305 -3.984 206 1HB GLU 27 HB2 GLU 27 -4.187 5.066 -5.937 207 2HB GLU 27 HB1 GLU 27 -2.529 4.564 -6.221 208 1HG GLU 27 HG2 GLU 27 -3.268 2.170 -5.942 209 2HG GLU 27 HG1 GLU 27 -4.929 2.748 -5.842 210 H LYS 28 HN LYS 28 -3.956 6.579 -3.665 211 HA LYS 28 HA LYS 28 -1.259 7.741 -3.619 212 1HB LYS 28 HB2 LYS 28 -3.755 9.185 -2.764 213 2HB LYS 28 HB1 LYS 28 -2.318 9.836 -3.544 214 1HG LYS 28 HG2 LYS 28 -2.894 8.487 -5.590 215 2HG LYS 28 HG1 LYS 28 -4.399 8.023 -4.805 216 1HD LYS 28 HD2 LYS 28 -5.077 10.372 -4.640 217 2HD LYS 28 HD1 LYS 28 -3.541 10.888 -5.323 218 1HE LYS 28 HE2 LYS 28 -4.650 8.931 -7.082 219 2HE LYS 28 HE1 LYS 28 -5.919 10.090 -6.713 220 1HZ LYS 28 HZ2 LYS 28 -4.091 11.818 -7.180 221 2HZ LYS 28 HZ1 LYS 28 -3.310 10.546 -7.991 222 3HZ LYS 28 HZ3 LYS 28 -4.855 11.049 -8.489 223 H VAL 29 HN VAL 29 -3.854 7.076 -1.313 224 HA VAL 29 HA VAL 29 -2.744 8.295 0.975 225 HB VAL 29 HB VAL 29 -4.396 5.775 0.708 226 1HG1 VAL 29 HG13 VAL 29 -3.432 7.303 3.134 227 2HG1 VAL 29 HG12 VAL 29 -4.902 6.333 3.183 228 3HG1 VAL 29 HG11 VAL 29 -3.353 5.569 2.838 229 1HG2 VAL 29 HG23 VAL 29 -5.069 8.388 0.216 230 2HG2 VAL 29 HG22 VAL 29 -6.212 7.163 0.758 231 3HG2 VAL 29 HG21 VAL 29 -5.467 8.251 1.925 232 H PHE 30 HN PHE 30 -2.436 4.878 0.013 233 HA PHE 30 HA PHE 30 -0.467 4.256 1.990 234 1HB PHE 30 HB2 PHE 30 -1.375 2.972 -0.563 235 2HB PHE 30 HB1 PHE 30 0.101 2.388 0.194 236 HD1 PHE 30 HD1 PHE 30 -0.215 2.184 2.943 237 HD2 PHE 30 HD2 PHE 30 -3.299 1.785 0.025 238 HE1 PHE 30 HE1 PHE 30 -1.571 0.901 4.540 239 HE2 PHE 30 HE2 PHE 30 -4.624 0.486 1.622 240 HZ PHE 30 HZ PHE 30 -3.760 0.006 3.865 241 H LYS 31 HN LYS 31 -0.157 5.231 -1.411 242 HA LYS 31 HA LYS 31 2.664 5.032 -1.604 243 1HB LYS 31 HB2 LYS 31 1.188 5.490 -3.539 244 2HB LYS 31 HB1 LYS 31 0.869 7.098 -2.898 245 1HG LYS 31 HG2 LYS 31 3.120 7.794 -3.213 246 2HG LYS 31 HG1 LYS 31 3.688 6.139 -3.409 247 1HD LYS 31 HD2 LYS 31 2.760 5.947 -5.572 248 2HD LYS 31 HD1 LYS 31 1.663 7.302 -5.321 249 1HE LYS 31 HE2 LYS 31 3.274 8.866 -5.801 250 2HE LYS 31 HE1 LYS 31 4.560 7.916 -5.069 251 1HZ LYS 31 HZ2 LYS 31 3.399 6.769 -7.455 252 2HZ LYS 31 HZ1 LYS 31 4.231 8.230 -7.696 253 3HZ LYS 31 HZ3 LYS 31 5.028 6.907 -6.991 254 H GLN 32 HN GLN 32 0.620 7.564 -0.280 255 HA GLN 32 HA GLN 32 2.630 9.541 0.117 256 1HB GLN 32 HB2 GLN 32 0.115 9.808 0.429 257 2HB GLN 32 HB1 GLN 32 0.311 9.011 1.985 258 1HG GLN 32 HG2 GLN 32 2.291 10.871 2.153 259 2HG GLN 32 HG1 GLN 32 1.137 11.737 1.141 260 1HE2 GLN 32 HE22 GLN 32 0.259 11.001 5.058 261 2HE2 GLN 32 HE21 GLN 32 1.637 10.319 4.340 262 OH TYR 33 OH TYR 33 5.243 3.079 8.398 263 H TYR 33 HN TYR 33 1.732 6.685 1.921 264 HA TYR 33 HA TYR 33 3.375 7.274 4.236 265 1HB TYR 33 HB2 TYR 33 1.467 5.694 4.329 266 2HB TYR 33 HB1 TYR 33 2.326 4.614 3.236 267 HD1 TYR 33 HD1 TYR 33 4.506 3.599 3.964 268 HD2 TYR 33 HD2 TYR 33 2.041 5.770 6.664 269 HE1 TYR 33 HE1 TYR 33 5.712 2.614 5.853 270 HE2 TYR 33 HE2 TYR 33 3.249 4.785 8.557 271 HH TYR 33 HH TYR 33 5.866 2.438 8.051 272 H ALA 34 HN ALA 34 3.740 4.759 1.752 273 HA ALA 34 HA ALA 34 6.370 4.000 2.321 274 1HB ALA 34 HB3 ALA 34 4.543 3.712 0.112 275 2HB ALA 34 HB2 ALA 34 6.168 4.003 -0.499 276 3HB ALA 34 HB1 ALA 34 5.865 2.654 0.591 277 H ASN 35 HN ASN 35 5.265 6.993 1.140 278 HA ASN 35 HA ASN 35 7.684 7.775 -0.266 279 1HB ASN 35 HB2 ASN 35 5.360 8.792 -0.560 280 2HB ASN 35 HB1 ASN 35 5.645 9.639 0.958 281 1HD2 ASN 35 HD22 ASN 35 6.848 12.029 -1.515 282 2HD2 ASN 35 HD21 ASN 35 5.386 11.473 -0.856 283 H ASP 36 HN ASP 36 6.363 8.388 2.961 284 HA ASP 36 HA ASP 36 8.588 10.007 3.831 285 1HB ASP 36 HB2 ASP 36 6.216 8.739 5.085 286 2HB ASP 36 HB1 ASP 36 7.575 9.067 6.158 287 H ASN 37 HN ASN 37 8.477 6.826 3.018 288 HA ASN 37 HA ASN 37 10.603 6.066 4.989 289 1HB ASN 37 HB2 ASN 37 8.755 4.279 3.386 290 2HB ASN 37 HB1 ASN 37 9.975 3.727 4.530 291 1HD2 ASN 37 HD22 ASN 37 6.430 5.207 5.889 292 2HD2 ASN 37 HD21 ASN 37 6.813 5.253 4.236 293 H GLY 38 HN GLY 38 9.624 5.929 1.605 294 1HA GLY 38 HA2 GLY 38 11.266 6.382 -0.162 295 2HA GLY 38 HA1 GLY 38 12.506 5.672 0.866 296 H VAL 39 HN VAL 39 9.316 4.635 -0.348 297 HA VAL 39 HA VAL 39 10.632 2.244 -1.547 298 HB VAL 39 HB VAL 39 8.208 2.175 0.272 299 1HG1 VAL 39 HG12 VAL 39 9.225 0.357 -1.805 300 2HG1 VAL 39 HG11 VAL 39 9.027 -0.424 -0.241 301 3HG1 VAL 39 HG13 VAL 39 7.656 0.373 -1.006 302 1HG2 VAL 39 HG23 VAL 39 10.995 0.988 0.537 303 2HG2 VAL 39 HG22 VAL 39 10.375 2.355 1.458 304 3HG2 VAL 39 HG21 VAL 39 9.675 0.755 1.680 305 H ASP 40 HN ASP 40 10.176 3.780 -3.397 306 HA ASP 40 HA ASP 40 7.347 3.486 -4.344 307 1HB ASP 40 HB2 ASP 40 9.384 5.514 -5.287 308 2HB ASP 40 HB1 ASP 40 7.659 5.490 -5.643 309 H GLY 41 HN GLY 41 7.030 2.203 -6.049 310 1HA GLY 41 HA2 GLY 41 8.822 2.050 -8.295 311 2HA GLY 41 HA1 GLY 41 9.037 0.641 -7.259 312 H GLU 42 HN GLU 42 7.585 -0.990 -7.377 313 HA GLU 42 HA GLU 42 5.383 -0.680 -9.358 314 1HB GLU 42 HB2 GLU 42 6.373 -3.225 -8.080 315 2HB GLU 42 HB1 GLU 42 5.402 -3.070 -9.538 316 1HG GLU 42 HG2 GLU 42 7.303 -1.833 -10.614 317 2HG GLU 42 HG1 GLU 42 8.275 -2.145 -9.178 318 CH2 TRP 43 CH2 TRP 43 2.111 2.447 -2.101 319 H TRP 43 HN TRP 43 3.270 -0.931 -8.801 320 HA TRP 43 HA TRP 43 2.683 -1.486 -5.913 321 1HB TRP 43 HB2 TRP 43 1.596 0.589 -7.795 322 2HB TRP 43 HB1 TRP 43 0.669 0.077 -6.396 323 HD1 TRP 43 HD1 TRP 43 4.216 1.361 -7.247 324 HE1 TRP 43 HE1 TRP 43 4.977 2.729 -5.245 325 HE3 TRP 43 HE3 TRP 43 0.342 0.556 -4.235 326 HZ2 TRP 43 HZ2 TRP 43 4.004 3.340 -2.512 327 HZ3 TRP 43 HZ3 TRP 43 0.234 1.447 -1.963 328 HH2 TRP 43 HH2 TRP 43 2.062 2.834 -1.094 329 H THR 44 HN THR 44 1.287 -3.079 -5.532 330 HA THR 44 HA THR 44 -0.400 -4.068 -7.804 331 HB THR 44 HB THR 44 -0.190 -6.332 -6.494 332 HG1 THR 44 HG1 THR 44 1.968 -4.728 -5.544 333 1HG2 THR 44 HG23 THR 44 2.030 -4.947 -8.014 334 2HG2 THR 44 HG22 THR 44 2.287 -6.553 -7.341 335 3HG2 THR 44 HG21 THR 44 1.028 -6.294 -8.544 336 OH TYR 45 OH TYR 45 -8.955 -1.357 -3.117 337 H TYR 45 HN TYR 45 -2.499 -4.568 -7.408 338 HA TYR 45 HA TYR 45 -3.580 -3.881 -4.694 339 1HB TYR 45 HB2 TYR 45 -4.149 -2.437 -6.776 340 2HB TYR 45 HB1 TYR 45 -5.137 -3.806 -7.291 341 HD1 TYR 45 HD1 TYR 45 -6.612 -4.731 -4.980 342 HD2 TYR 45 HD2 TYR 45 -5.442 -0.750 -5.886 343 HE1 TYR 45 HE1 TYR 45 -8.384 -3.883 -3.538 344 HE2 TYR 45 HE2 TYR 45 -7.254 0.100 -4.485 345 HH TYR 45 HH TYR 45 -9.790 -1.563 -3.546 346 H ASP 46 HN ASP 46 -4.552 -5.516 -3.631 347 HA ASP 46 HA ASP 46 -5.202 -8.001 -5.162 348 1HB ASP 46 HB2 ASP 46 -3.552 -7.943 -3.131 349 2HB ASP 46 HB1 ASP 46 -5.022 -7.883 -2.163 350 H ASP 47 HN ASP 47 -7.243 -7.054 -5.848 351 HA ASP 47 HA ASP 47 -9.248 -6.233 -3.944 352 1HB ASP 47 HB2 ASP 47 -9.554 -5.468 -6.169 353 2HB ASP 47 HB1 ASP 47 -9.348 -7.084 -6.839 354 H ALA 48 HN ALA 48 -7.930 -9.221 -4.559 355 HA ALA 48 HA ALA 48 -10.292 -10.882 -4.371 356 1HB ALA 48 HB2 ALA 48 -7.940 -11.516 -5.236 357 2HB ALA 48 HB1 ALA 48 -7.529 -11.742 -3.538 358 3HB ALA 48 HB3 ALA 48 -8.804 -12.711 -4.272 359 H THR 49 HN THR 49 -8.233 -9.299 -2.063 360 HA THR 49 HA THR 49 -10.026 -10.242 0.102 361 HB THR 49 HB THR 49 -7.777 -10.568 1.492 362 HG1 THR 49 HG1 THR 49 -6.630 -11.586 -0.684 363 1HG2 THR 49 HG23 THR 49 -8.656 -12.530 -0.665 364 2HG2 THR 49 HG22 THR 49 -7.630 -12.935 0.708 365 3HG2 THR 49 HG21 THR 49 -9.307 -12.464 0.970 366 H LYS 50 HN LYS 50 -9.242 -7.685 -1.373 367 HA LYS 50 HA LYS 50 -8.888 -5.431 -0.822 368 1HB LYS 50 HB2 LYS 50 -10.047 -6.505 1.758 369 2HB LYS 50 HB1 LYS 50 -9.767 -4.792 1.467 370 1HG LYS 50 HG2 LYS 50 -11.186 -4.963 -0.596 371 2HG LYS 50 HG1 LYS 50 -11.542 -6.633 -0.170 372 1HD LYS 50 HD2 LYS 50 -13.339 -5.616 0.867 373 2HD LYS 50 HD1 LYS 50 -12.171 -5.491 2.176 374 1HE LYS 50 HE2 LYS 50 -12.966 -3.285 1.997 375 2HE LYS 50 HE1 LYS 50 -11.495 -3.237 1.032 376 1HZ LYS 50 HZ1 LYS 50 -13.883 -4.019 -0.401 377 2HZ LYS 50 HZ3 LYS 50 -13.880 -2.420 0.171 378 3HZ LYS 50 HZ2 LYS 50 -12.637 -2.957 -0.853 379 H THR 51 HN THR 51 -6.568 -6.444 -0.952 380 HA THR 51 HA THR 51 -5.113 -5.493 1.478 381 HB THR 51 HB THR 51 -4.922 -8.211 0.158 382 HG1 THR 51 HG1 THR 51 -5.469 -8.690 2.158 383 1HG2 THR 51 HG22 THR 51 -2.775 -6.844 1.828 384 2HG2 THR 51 HG21 THR 51 -2.815 -8.557 1.450 385 3HG2 THR 51 HG23 THR 51 -2.572 -7.380 0.166 386 H PHE 52 HN PHE 52 -3.789 -3.866 0.786 387 HA PHE 52 HA PHE 52 -3.068 -3.663 -2.039 388 1HB PHE 52 HB2 PHE 52 -3.078 -1.925 0.275 389 2HB PHE 52 HB1 PHE 52 -1.560 -1.808 -0.604 390 HD1 PHE 52 HD1 PHE 52 -1.561 -1.139 -3.022 391 HD2 PHE 52 HD2 PHE 52 -5.139 -1.230 -0.751 392 HE1 PHE 52 HE1 PHE 52 -2.721 0.163 -4.766 393 HE2 PHE 52 HE2 PHE 52 -6.246 0.179 -2.398 394 HZ PHE 52 HZ PHE 52 -5.029 0.917 -4.391 395 H THR 53 HN THR 53 -0.740 -3.335 -2.642 396 HA THR 53 HA THR 53 1.273 -4.451 -0.839 397 HB THR 53 HB THR 53 0.410 -5.996 -3.313 398 HG1 THR 53 HG1 THR 53 0.732 -7.059 -0.773 399 1HG2 THR 53 HG23 THR 53 2.932 -5.934 -1.761 400 2HG2 THR 53 HG22 THR 53 2.194 -7.530 -1.860 401 3HG2 THR 53 HG21 THR 53 2.618 -6.664 -3.333 402 H VAL 54 HN VAL 54 3.346 -3.895 -1.469 403 HA VAL 54 HA VAL 54 3.711 -2.744 -4.176 404 HB VAL 54 HB VAL 54 3.000 -0.885 -2.615 405 1HG1 VAL 54 HG11 VAL 54 4.208 -1.939 -0.646 406 2HG1 VAL 54 HG13 VAL 54 5.708 -1.336 -1.343 407 3HG1 VAL 54 HG12 VAL 54 4.452 -0.209 -0.840 408 1HG2 VAL 54 HG23 VAL 54 5.776 -0.857 -3.827 409 2HG2 VAL 54 HG22 VAL 54 4.289 -0.252 -4.535 410 3HG2 VAL 54 HG21 VAL 54 5.013 0.580 -3.169 411 H THR 55 HN THR 55 5.875 -2.725 -4.832 412 HA THR 55 HA THR 55 7.885 -3.848 -2.946 413 HB THR 55 HB THR 55 7.293 -5.083 -5.672 414 HG1 THR 55 HG1 THR 55 6.173 -5.302 -3.296 415 1HG2 THR 55 HG22 THR 55 9.497 -5.337 -3.693 416 2HG2 THR 55 HG21 THR 55 8.761 -6.861 -4.183 417 3HG2 THR 55 HG23 THR 55 9.469 -5.797 -5.390 418 H GLU 56 HN GLU 56 9.655 -2.597 -3.089 419 HA GLU 56 HA GLU 56 10.011 -0.669 -5.206 420 1HB GLU 56 HB2 GLU 56 11.088 -1.073 -2.670 421 2HB GLU 56 HB1 GLU 56 12.454 -1.310 -3.752 422 1HG GLU 56 HG2 GLU 56 11.775 0.853 -4.908 423 2HG GLU 56 HG1 GLU 56 10.628 1.108 -3.594 Start of MODEL 32 Raw file had 423 H/Q atoms Entry Start of MODEL 32 1 1H MET 1 HT1 MET 1 -12.816 0.929 1.392 2 2H MET 1 HT3 MET 1 -14.457 0.720 1.779 3 3H MET 1 HT2 MET 1 -13.558 1.952 2.528 4 HA MET 1 HA MET 1 -13.706 0.286 4.135 5 1HB MET 1 HB2 MET 1 -14.152 -1.412 2.030 6 2HB MET 1 HB1 MET 1 -12.533 -1.888 2.530 7 1HG MET 1 HG2 MET 1 -13.390 -1.980 4.896 8 2HG MET 1 HG1 MET 1 -14.996 -1.711 4.273 9 1HE MET 1 HE1 MET 1 -14.504 -3.587 6.240 10 2HE MET 1 HE3 MET 1 -14.546 -5.302 5.830 11 3HE MET 1 HE2 MET 1 -13.008 -4.438 5.855 12 H THR 2 HN THR 2 -11.833 -0.971 5.160 13 HA THR 2 HA THR 2 -9.359 0.560 4.601 14 HB THR 2 HB THR 2 -9.766 -1.399 6.885 15 HG1 THR 2 HG1 THR 2 -11.376 -0.042 7.276 16 1HG2 THR 2 HG22 THR 2 -7.533 -0.026 6.228 17 2HG2 THR 2 HG21 THR 2 -8.401 1.259 7.062 18 3HG2 THR 2 HG23 THR 2 -8.021 -0.237 7.906 19 OH TYR 3 OH TYR 3 -11.517 0.304 -0.924 20 H TYR 3 HN TYR 3 -7.784 -0.290 3.401 21 HA TYR 3 HA TYR 3 -7.769 -3.234 2.945 22 1HB TYR 3 HB2 TYR 3 -6.075 -1.220 1.474 23 2HB TYR 3 HB1 TYR 3 -6.579 -2.820 0.943 24 HD1 TYR 3 HD1 TYR 3 -7.924 0.557 1.818 25 HD2 TYR 3 HD2 TYR 3 -8.590 -3.083 -0.271 26 HE1 TYR 3 HE1 TYR 3 -9.929 1.516 0.780 27 HE2 TYR 3 HE2 TYR 3 -10.587 -2.122 -1.315 28 HH TYR 3 HH TYR 3 -11.992 0.798 -0.253 29 H LYS 4 HN LYS 4 -5.460 -4.128 2.631 30 HA LYS 4 HA LYS 4 -3.749 -3.117 4.876 31 1HB LYS 4 HB2 LYS 4 -4.994 -5.453 4.960 32 2HB LYS 4 HB1 LYS 4 -3.663 -5.963 3.942 33 1HG LYS 4 HG2 LYS 4 -2.310 -4.580 5.898 34 2HG LYS 4 HG1 LYS 4 -3.661 -5.225 6.818 35 1HD LYS 4 HD2 LYS 4 -1.890 -6.926 5.024 36 2HD LYS 4 HD1 LYS 4 -1.634 -6.735 6.752 37 1HE LYS 4 HE2 LYS 4 -3.431 -8.043 7.305 38 2HE LYS 4 HE1 LYS 4 -4.397 -7.475 5.953 39 1HZ LYS 4 HZ2 LYS 4 -2.364 -8.850 4.780 40 2HZ LYS 4 HZ1 LYS 4 -2.736 -9.782 6.151 41 3HZ LYS 4 HZ3 LYS 4 -3.949 -9.414 5.020 42 H LEU 5 HN LEU 5 -1.907 -2.254 4.121 43 HA LEU 5 HA LEU 5 -0.968 -2.940 1.426 44 1HB LEU 5 HB2 LEU 5 -0.791 -0.616 2.046 45 2HB LEU 5 HB1 LEU 5 0.007 -1.008 3.559 46 HG LEU 5 HG LEU 5 1.984 -1.883 2.195 47 1HD1 LEU 5 HD13 LEU 5 0.436 -0.571 -0.061 48 2HD1 LEU 5 HD12 LEU 5 2.095 -1.144 -0.172 49 3HD1 LEU 5 HD11 LEU 5 0.786 -2.290 0.071 50 1HD2 LEU 5 HD22 LEU 5 1.803 0.448 3.174 51 2HD2 LEU 5 HD21 LEU 5 2.884 0.300 1.793 52 3HD2 LEU 5 HD23 LEU 5 1.279 0.987 1.584 53 H ILE 6 HN ILE 6 1.079 -3.832 0.964 54 HA ILE 6 HA ILE 6 2.461 -5.195 3.194 55 HB ILE 6 HB ILE 6 1.585 -6.292 0.539 56 1HG1 ILE 6 HG12 ILE 6 1.569 -7.431 3.359 57 2HG1 ILE 6 HG11 ILE 6 0.211 -6.578 2.644 58 1HG2 ILE 6 HG23 ILE 6 3.980 -7.045 2.210 59 2HG2 ILE 6 HG22 ILE 6 3.133 -8.284 1.294 60 3HG2 ILE 6 HG21 ILE 6 3.855 -6.918 0.460 61 1HD1 ILE 6 HD2 ILE 6 0.706 -8.422 0.689 62 2HD1 ILE 6 HD1 ILE 6 1.204 -9.326 2.115 63 3HD1 ILE 6 HD3 ILE 6 -0.429 -8.685 2.005 64 H LEU 7 HN LEU 7 4.255 -3.956 3.347 65 HA LEU 7 HA LEU 7 5.554 -2.848 0.983 66 1HB LEU 7 HB2 LEU 7 6.134 -2.803 3.924 67 2HB LEU 7 HB1 LEU 7 7.321 -2.212 2.769 68 HG LEU 7 HG LEU 7 4.490 -1.272 2.483 69 1HD1 LEU 7 HD13 LEU 7 6.466 -0.246 4.553 70 2HD1 LEU 7 HD12 LEU 7 4.969 0.567 4.105 71 3HD1 LEU 7 HD11 LEU 7 4.914 -1.008 4.890 72 1HD2 LEU 7 HD21 LEU 7 6.672 -0.755 1.048 73 2HD2 LEU 7 HD23 LEU 7 5.494 0.511 1.372 74 3HD2 LEU 7 HD22 LEU 7 6.967 0.415 2.330 75 H ASN 8 HN ASN 8 6.736 -4.081 -0.325 76 HA ASN 8 HA ASN 8 8.339 -6.292 0.876 77 1HB ASN 8 HB2 ASN 8 6.786 -5.982 -1.564 78 2HB ASN 8 HB1 ASN 8 8.414 -6.510 -1.920 79 1HD2 ASN 8 HD22 ASN 8 5.895 -9.242 -0.791 80 2HD2 ASN 8 HD21 ASN 8 5.550 -7.819 -1.636 81 H GLY 9 HN GLY 9 9.212 -3.637 1.169 82 1HA GLY 9 HA2 GLY 9 10.982 -2.711 -0.834 83 2HA GLY 9 HA1 GLY 9 11.161 -2.356 0.874 84 H LYS 10 HN LYS 10 13.015 -3.215 -1.413 85 HA LYS 10 HA LYS 10 14.067 -5.802 -0.696 86 1HB LYS 10 HB2 LYS 10 14.516 -4.785 -2.889 87 2HB LYS 10 HB1 LYS 10 15.397 -3.474 -2.113 88 1HG LYS 10 HG2 LYS 10 17.208 -4.821 -1.580 89 2HG LYS 10 HG1 LYS 10 16.229 -6.280 -1.480 90 1HD LYS 10 HD2 LYS 10 16.495 -4.911 -4.139 91 2HD LYS 10 HD1 LYS 10 17.843 -5.879 -3.553 92 1HE LYS 10 HE2 LYS 10 16.628 -7.861 -3.617 93 2HE LYS 10 HE1 LYS 10 15.086 -7.045 -3.399 94 1HZ LYS 10 HZ2 LYS 10 15.486 -6.086 -5.685 95 2HZ LYS 10 HZ1 LYS 10 16.717 -7.245 -5.852 96 3HZ LYS 10 HZ3 LYS 10 15.111 -7.740 -5.607 97 H THR 11 HN THR 11 14.295 -2.685 0.645 98 HA THR 11 HA THR 11 16.446 -3.608 2.499 99 HB THR 11 HB THR 11 16.763 -0.941 2.627 100 HG1 THR 11 HG1 THR 11 14.914 -1.262 0.866 101 1HG2 THR 11 HG23 THR 11 17.822 -2.974 0.705 102 2HG2 THR 11 HG22 THR 11 18.116 -1.283 0.313 103 3HG2 THR 11 HG21 THR 11 18.711 -1.951 1.830 104 H LEU 12 HN LEU 12 13.237 -2.788 2.181 105 HA LEU 12 HA LEU 12 12.973 -2.497 5.107 106 1HB LEU 12 HB2 LEU 12 13.333 -0.172 4.052 107 2HB LEU 12 HB1 LEU 12 11.717 -0.371 3.383 108 HG LEU 12 HG LEU 12 11.145 -1.055 5.899 109 1HD1 LEU 12 HD13 LEU 12 13.723 -0.649 6.344 110 2HD1 LEU 12 HD12 LEU 12 13.237 1.042 6.416 111 3HD1 LEU 12 HD11 LEU 12 12.536 -0.124 7.533 112 1HD2 LEU 12 HD22 LEU 12 11.437 1.674 4.648 113 2HD2 LEU 12 HD21 LEU 12 9.966 0.752 4.947 114 3HD2 LEU 12 HD23 LEU 12 10.818 1.511 6.288 115 H LYS 13 HN LYS 13 11.633 -4.218 5.318 116 HA LYS 13 HA LYS 13 9.233 -4.374 3.555 117 1HB LYS 13 HB2 LYS 13 10.313 -6.429 5.498 118 2HB LYS 13 HB1 LYS 13 9.021 -6.676 4.332 119 1HG LYS 13 HG2 LYS 13 10.551 -6.343 2.476 120 2HG LYS 13 HG1 LYS 13 11.845 -5.868 3.568 121 1HD LYS 13 HD2 LYS 13 12.401 -8.023 3.965 122 2HD LYS 13 HD1 LYS 13 10.733 -8.444 4.335 123 1HE LYS 13 HE2 LYS 13 11.552 -9.703 2.367 124 2HE LYS 13 HE1 LYS 13 10.234 -8.624 1.924 125 1HZ LYS 13 HZ1 LYS 13 12.945 -7.569 1.734 126 2HZ LYS 13 HZ3 LYS 13 12.479 -8.723 0.578 127 3HZ LYS 13 HZ2 LYS 13 11.594 -7.285 0.747 128 H GLY 14 HN GLY 14 7.149 -4.432 4.430 129 1HA GLY 14 HA2 GLY 14 6.643 -4.474 7.272 130 2HA GLY 14 HA1 GLY 14 6.597 -2.823 6.663 131 H GLU 15 HN GLU 15 4.334 -2.958 7.391 132 HA GLU 15 HA GLU 15 2.537 -3.347 5.201 133 1HB GLU 15 HB2 GLU 15 1.189 -5.211 6.377 134 2HB GLU 15 HB1 GLU 15 2.652 -5.690 5.524 135 1HG GLU 15 HG2 GLU 15 3.919 -5.731 7.601 136 2HG GLU 15 HG1 GLU 15 2.560 -5.055 8.493 137 H THR 16 HN THR 16 0.733 -2.142 5.587 138 HA THR 16 HA THR 16 -0.154 -1.689 8.366 139 HB THR 16 HB THR 16 1.475 0.109 8.195 140 HG1 THR 16 HG1 THR 16 -0.002 1.576 8.726 141 1HG2 THR 16 HG22 THR 16 0.932 0.027 5.440 142 2HG2 THR 16 HG21 THR 16 0.200 1.533 5.977 143 3HG2 THR 16 HG23 THR 16 1.914 1.238 6.253 144 H THR 17 HN THR 17 -2.255 -0.808 8.516 145 HA THR 17 HA THR 17 -3.813 -1.068 5.983 146 HB THR 17 HB THR 17 -5.653 -1.818 7.298 147 HG1 THR 17 HG1 THR 17 -4.241 -0.798 9.545 148 1HG2 THR 17 HG22 THR 17 -3.251 -3.112 7.713 149 2HG2 THR 17 HG21 THR 17 -3.691 -2.663 9.357 150 3HG2 THR 17 HG23 THR 17 -4.782 -3.654 8.392 151 H THR 18 HN THR 18 -4.984 0.588 5.213 152 HA THR 18 HA THR 18 -5.211 3.054 6.897 153 HB THR 18 HB THR 18 -3.445 3.115 4.960 154 HG1 THR 18 HG1 THR 18 -4.921 5.202 4.407 155 1HG2 THR 18 HG21 THR 18 -5.412 2.189 3.366 156 2HG2 THR 18 HG23 THR 18 -5.823 3.900 3.308 157 3HG2 THR 18 HG22 THR 18 -4.237 3.355 2.772 158 H GLU 19 HN GLU 19 -7.099 4.252 6.642 159 HA GLU 19 HA GLU 19 -9.357 2.729 5.507 160 1HB GLU 19 HB2 GLU 19 -9.498 3.811 7.761 161 2HB GLU 19 HB1 GLU 19 -9.383 5.379 6.970 162 1HG GLU 19 HG2 GLU 19 -11.385 3.907 5.582 163 2HG GLU 19 HG1 GLU 19 -11.710 3.711 7.303 164 H ALA 20 HN ALA 20 -10.182 3.119 3.562 165 HA ALA 20 HA ALA 20 -9.884 5.833 2.374 166 1HB ALA 20 HB2 ALA 20 -8.639 3.343 1.440 167 2HB ALA 20 HB1 ALA 20 -9.548 4.186 0.190 168 3HB ALA 20 HB3 ALA 20 -8.245 5.010 1.042 169 H VAL 21 HN VAL 21 -11.472 6.331 0.786 170 HA VAL 21 HA VAL 21 -13.952 4.756 1.137 171 HB VAL 21 HB VAL 21 -14.165 7.150 1.425 172 1HG1 VAL 21 HG12 VAL 21 -12.984 7.309 -1.371 173 2HG1 VAL 21 HG11 VAL 21 -13.651 8.678 -0.487 174 3HG1 VAL 21 HG13 VAL 21 -12.215 7.857 0.116 175 1HG2 VAL 21 HG23 VAL 21 -15.856 5.698 -0.021 176 2HG2 VAL 21 HG22 VAL 21 -16.061 7.443 0.102 177 3HG2 VAL 21 HG21 VAL 21 -15.301 6.744 -1.324 178 H ASP 22 HN ASP 22 -11.405 4.670 -0.939 179 HA ASP 22 HA ASP 22 -12.826 3.038 -2.852 180 1HB ASP 22 HB2 ASP 22 -12.871 4.422 -4.756 181 2HB ASP 22 HB1 ASP 22 -13.405 5.494 -3.465 182 H ALA 23 HN ALA 23 -11.218 2.987 -4.983 183 HA ALA 23 HA ALA 23 -8.726 1.942 -3.845 184 1HB ALA 23 HB1 ALA 23 -9.797 2.030 -6.673 185 2HB ALA 23 HB3 ALA 23 -8.269 1.278 -6.229 186 3HB ALA 23 HB2 ALA 23 -9.781 0.644 -5.588 187 H ALA 24 HN ALA 24 -9.492 4.283 -6.420 188 HA ALA 24 HA ALA 24 -6.945 5.243 -6.964 189 1HB ALA 24 HB3 ALA 24 -9.663 6.430 -7.018 190 2HB ALA 24 HB2 ALA 24 -8.322 7.571 -7.051 191 3HB ALA 24 HB1 ALA 24 -8.454 6.332 -8.295 192 H THR 25 HN THR 25 -9.114 6.412 -4.399 193 HA THR 25 HA THR 25 -7.208 8.267 -3.304 194 HB THR 25 HB THR 25 -9.699 8.342 -2.827 195 HG1 THR 25 HG1 THR 25 -8.058 8.007 -0.535 196 1HG2 THR 25 HG22 THR 25 -9.616 5.740 -2.217 197 2HG2 THR 25 HG21 THR 25 -9.140 6.358 -0.641 198 3HG2 THR 25 HG23 THR 25 -10.689 6.820 -1.335 199 H ALA 26 HN ALA 26 -7.825 4.859 -2.775 200 HA ALA 26 HA ALA 26 -6.183 4.649 -0.401 201 1HB ALA 26 HB2 ALA 26 -7.908 2.968 -1.010 202 2HB ALA 26 HB1 ALA 26 -6.933 2.500 -2.399 203 3HB ALA 26 HB3 ALA 26 -6.327 2.229 -0.768 204 H GLU 27 HN GLU 27 -5.581 4.439 -3.842 205 HA GLU 27 HA GLU 27 -2.982 3.285 -3.760 206 1HB GLU 27 HB2 GLU 27 -4.295 5.184 -5.710 207 2HB GLU 27 HB1 GLU 27 -2.704 4.492 -5.977 208 1HG GLU 27 HG2 GLU 27 -3.692 2.207 -5.745 209 2HG GLU 27 HG1 GLU 27 -5.286 2.945 -5.594 210 H LYS 28 HN LYS 28 -3.847 6.722 -4.167 211 HA LYS 28 HA LYS 28 -1.187 7.689 -3.785 212 1HB LYS 28 HB2 LYS 28 -2.560 9.851 -3.091 213 2HB LYS 28 HB1 LYS 28 -2.528 9.295 -4.760 214 1HG LYS 28 HG2 LYS 28 -4.689 8.456 -4.665 215 2HG LYS 28 HG1 LYS 28 -4.611 8.162 -2.935 216 1HD LYS 28 HD2 LYS 28 -4.443 10.992 -3.907 217 2HD LYS 28 HD1 LYS 28 -6.016 10.203 -3.893 218 1HE LYS 28 HE2 LYS 28 -5.998 9.916 -1.565 219 2HE LYS 28 HE1 LYS 28 -4.245 10.034 -1.466 220 1HZ LYS 28 HZ3 LYS 28 -5.479 12.398 -2.518 221 2HZ LYS 28 HZ2 LYS 28 -5.991 12.029 -0.941 222 3HZ LYS 28 HZ1 LYS 28 -4.337 12.229 -1.273 223 H VAL 29 HN VAL 29 -3.798 7.039 -1.502 224 HA VAL 29 HA VAL 29 -2.705 8.358 0.764 225 HB VAL 29 HB VAL 29 -4.424 5.892 0.498 226 1HG1 VAL 29 HG11 VAL 29 -3.280 7.222 2.958 227 2HG1 VAL 29 HG13 VAL 29 -4.811 6.356 3.024 228 3HG1 VAL 29 HG12 VAL 29 -3.338 5.506 2.571 229 1HG2 VAL 29 HG21 VAL 29 -5.070 8.471 0.092 230 2HG2 VAL 29 HG23 VAL 29 -6.194 7.344 0.845 231 3HG2 VAL 29 HG22 VAL 29 -5.239 8.433 1.844 232 H PHE 30 HN PHE 30 -2.412 4.907 -0.091 233 HA PHE 30 HA PHE 30 -0.417 4.342 1.884 234 1HB PHE 30 HB2 PHE 30 -1.339 2.988 -0.633 235 2HB PHE 30 HB1 PHE 30 0.129 2.422 0.149 236 HD1 PHE 30 HD1 PHE 30 -0.189 2.267 2.885 237 HD2 PHE 30 HD2 PHE 30 -3.287 1.853 -0.015 238 HE1 PHE 30 HE1 PHE 30 -1.549 1.015 4.506 239 HE2 PHE 30 HE2 PHE 30 -4.625 0.593 1.608 240 HZ PHE 30 HZ PHE 30 -3.753 0.146 3.858 241 H LYS 31 HN LYS 31 -0.168 5.191 -1.555 242 HA LYS 31 HA LYS 31 2.632 4.970 -1.842 243 1HB LYS 31 HB2 LYS 31 0.914 5.505 -3.646 244 2HB LYS 31 HB1 LYS 31 0.981 7.170 -3.084 245 1HG LYS 31 HG2 LYS 31 3.669 6.471 -3.313 246 2HG LYS 31 HG1 LYS 31 2.932 5.655 -4.685 247 1HD LYS 31 HD2 LYS 31 2.505 8.598 -4.046 248 2HD LYS 31 HD1 LYS 31 3.701 8.005 -5.189 249 1HE LYS 31 HE2 LYS 31 0.758 7.311 -5.406 250 2HE LYS 31 HE1 LYS 31 1.472 8.699 -6.214 251 1HZ LYS 31 HZ2 LYS 31 2.821 6.148 -6.572 252 2HZ LYS 31 HZ1 LYS 31 1.310 6.320 -7.327 253 3HZ LYS 31 HZ3 LYS 31 2.563 7.411 -7.678 254 H GLN 32 HN GLN 32 0.693 7.623 -0.555 255 HA GLN 32 HA GLN 32 2.835 9.486 -0.223 256 1HB GLN 32 HB2 GLN 32 0.457 10.126 -0.042 257 2HB GLN 32 HB1 GLN 32 0.313 9.168 1.426 258 1HG GLN 32 HG2 GLN 32 2.576 11.037 1.512 259 2HG GLN 32 HG1 GLN 32 1.026 11.852 1.325 260 1HE2 GLN 32 HE22 GLN 32 -0.083 11.079 4.588 261 2HE2 GLN 32 HE21 GLN 32 -0.475 11.758 3.084 262 OH TYR 33 OH TYR 33 5.026 3.030 8.167 263 H TYR 33 HN TYR 33 1.738 6.763 1.662 264 HA TYR 33 HA TYR 33 3.332 7.402 4.008 265 1HB TYR 33 HB2 TYR 33 1.354 5.979 4.234 266 2HB TYR 33 HB1 TYR 33 2.047 4.807 3.121 267 HD1 TYR 33 HD1 TYR 33 4.069 3.512 3.770 268 HD2 TYR 33 HD2 TYR 33 2.112 6.086 6.532 269 HE1 TYR 33 HE1 TYR 33 5.256 2.428 5.617 270 HE2 TYR 33 HE2 TYR 33 3.300 5.002 8.383 271 HH TYR 33 HH TYR 33 4.436 2.378 8.555 272 H ALA 34 HN ALA 34 3.597 4.852 1.549 273 HA ALA 34 HA ALA 34 6.080 3.793 2.240 274 1HB ALA 34 HB2 ALA 34 4.385 3.759 -0.054 275 2HB ALA 34 HB1 ALA 34 6.032 4.039 -0.606 276 3HB ALA 34 HB3 ALA 34 5.659 2.622 0.368 277 H ASN 35 HN ASN 35 5.391 6.770 0.503 278 HA ASN 35 HA ASN 35 8.037 7.366 -0.363 279 1HB ASN 35 HB2 ASN 35 5.848 8.561 -0.973 280 2HB ASN 35 HB1 ASN 35 6.046 9.449 0.536 281 1HD2 ASN 35 HD22 ASN 35 7.905 10.922 -2.567 282 2HD2 ASN 35 HD21 ASN 35 6.439 10.065 -2.556 283 H ASP 36 HN ASP 36 6.403 7.909 2.702 284 HA ASP 36 HA ASP 36 8.607 9.459 3.820 285 1HB ASP 36 HB2 ASP 36 6.194 8.161 5.111 286 2HB ASP 36 HB1 ASP 36 7.332 9.206 5.959 287 H ASN 37 HN ASN 37 8.607 6.420 2.895 288 HA ASN 37 HA ASN 37 10.281 5.504 5.205 289 1HB ASN 37 HB2 ASN 37 8.137 4.071 3.680 290 2HB ASN 37 HB1 ASN 37 9.486 3.146 4.334 291 1HD2 ASN 37 HD22 ASN 37 6.571 4.411 6.803 292 2HD2 ASN 37 HD21 ASN 37 6.469 4.559 5.115 293 H GLY 38 HN GLY 38 9.928 5.910 1.813 294 1HA GLY 38 HA2 GLY 38 11.826 5.967 0.318 295 2HA GLY 38 HA1 GLY 38 12.709 4.941 1.444 296 H VAL 39 HN VAL 39 9.593 4.695 -0.271 297 HA VAL 39 HA VAL 39 10.561 2.210 -1.574 298 HB VAL 39 HB VAL 39 7.942 2.301 -0.064 299 1HG1 VAL 39 HG11 VAL 39 8.892 0.619 -2.089 300 2HG1 VAL 39 HG13 VAL 39 9.198 -0.281 -0.607 301 3HG1 VAL 39 HG12 VAL 39 7.567 0.262 -0.987 302 1HG2 VAL 39 HG22 VAL 39 10.660 1.213 0.730 303 2HG2 VAL 39 HG21 VAL 39 9.705 2.420 1.585 304 3HG2 VAL 39 HG23 VAL 39 9.163 0.745 1.529 305 H ASP 40 HN ASP 40 10.331 2.870 -3.652 306 HA ASP 40 HA ASP 40 7.587 3.498 -4.569 307 1HB ASP 40 HB2 ASP 40 9.942 5.290 -5.219 308 2HB ASP 40 HB1 ASP 40 8.284 5.500 -5.775 309 H GLY 41 HN GLY 41 7.293 1.958 -6.060 310 1HA GLY 41 HA2 GLY 41 8.979 1.880 -8.427 311 2HA GLY 41 HA1 GLY 41 9.187 0.449 -7.421 312 H GLU 42 HN GLU 42 7.669 -1.132 -7.492 313 HA GLU 42 HA GLU 42 5.443 -0.744 -9.430 314 1HB GLU 42 HB2 GLU 42 6.373 -3.316 -8.161 315 2HB GLU 42 HB1 GLU 42 5.362 -3.137 -9.588 316 1HG GLU 42 HG2 GLU 42 7.411 -3.461 -10.626 317 2HG GLU 42 HG1 GLU 42 7.469 -1.711 -10.435 318 CH2 TRP 43 CH2 TRP 43 2.260 2.399 -2.141 319 H TRP 43 HN TRP 43 3.318 -1.060 -8.863 320 HA TRP 43 HA TRP 43 2.762 -1.532 -5.958 321 1HB TRP 43 HB2 TRP 43 1.692 0.551 -7.837 322 2HB TRP 43 HB1 TRP 43 0.761 0.055 -6.434 323 HD1 TRP 43 HD1 TRP 43 4.314 1.307 -7.307 324 HE1 TRP 43 HE1 TRP 43 5.101 2.667 -5.310 325 HE3 TRP 43 HE3 TRP 43 0.460 0.519 -4.262 326 HZ2 TRP 43 HZ2 TRP 43 4.153 3.284 -2.567 327 HZ3 TRP 43 HZ3 TRP 43 0.379 1.411 -1.986 328 HH2 TRP 43 HH2 TRP 43 2.223 2.784 -1.133 329 H THR 44 HN THR 44 1.298 -3.069 -5.535 330 HA THR 44 HA THR 44 -0.405 -4.047 -7.801 331 HB THR 44 HB THR 44 -0.174 -6.333 -6.532 332 HG1 THR 44 HG1 THR 44 0.920 -4.875 -4.842 333 1HG2 THR 44 HG22 THR 44 1.822 -4.920 -8.247 334 2HG2 THR 44 HG21 THR 44 2.407 -6.339 -7.384 335 3HG2 THR 44 HG23 THR 44 1.054 -6.484 -8.501 336 OH TYR 45 OH TYR 45 -8.914 -1.261 -2.997 337 H TYR 45 HN TYR 45 -2.504 -4.231 -7.438 338 HA TYR 45 HA TYR 45 -3.538 -3.727 -4.673 339 1HB TYR 45 HB2 TYR 45 -4.128 -2.233 -6.712 340 2HB TYR 45 HB1 TYR 45 -5.118 -3.588 -7.259 341 HD1 TYR 45 HD1 TYR 45 -6.603 -4.577 -4.995 342 HD2 TYR 45 HD2 TYR 45 -5.404 -0.575 -5.748 343 HE1 TYR 45 HE1 TYR 45 -8.355 -3.773 -3.504 344 HE2 TYR 45 HE2 TYR 45 -7.211 0.228 -4.320 345 HH TYR 45 HH TYR 45 -9.369 -0.552 -3.458 346 H ASP 46 HN ASP 46 -4.561 -5.362 -3.646 347 HA ASP 46 HA ASP 46 -5.222 -7.819 -5.224 348 1HB ASP 46 HB2 ASP 46 -3.559 -7.853 -3.226 349 2HB ASP 46 HB1 ASP 46 -5.002 -7.724 -2.228 350 H ASP 47 HN ASP 47 -7.277 -6.952 -5.887 351 HA ASP 47 HA ASP 47 -9.260 -6.154 -3.921 352 1HB ASP 47 HB2 ASP 47 -9.408 -5.342 -6.221 353 2HB ASP 47 HB1 ASP 47 -9.555 -6.994 -6.819 354 H ALA 48 HN ALA 48 -7.874 -9.028 -4.337 355 HA ALA 48 HA ALA 48 -10.270 -10.727 -4.324 356 1HB ALA 48 HB3 ALA 48 -7.787 -11.219 -5.184 357 2HB ALA 48 HB2 ALA 48 -7.603 -11.794 -3.529 358 3HB ALA 48 HB1 ALA 48 -8.826 -12.504 -4.577 359 H THR 49 HN THR 49 -8.263 -9.130 -2.027 360 HA THR 49 HA THR 49 -9.940 -10.217 0.150 361 HB THR 49 HB THR 49 -7.611 -10.559 1.445 362 HG1 THR 49 HG1 THR 49 -6.503 -11.599 -0.661 363 1HG2 THR 49 HG21 THR 49 -9.332 -12.379 0.813 364 2HG2 THR 49 HG23 THR 49 -8.423 -12.571 -0.682 365 3HG2 THR 49 HG22 THR 49 -7.654 -12.907 0.866 366 H LYS 50 HN LYS 50 -9.140 -7.605 -1.259 367 HA LYS 50 HA LYS 50 -8.793 -5.375 -0.622 368 1HB LYS 50 HB2 LYS 50 -9.747 -6.413 2.061 369 2HB LYS 50 HB1 LYS 50 -9.748 -4.733 1.539 370 1HG LYS 50 HG2 LYS 50 -11.058 -6.138 -0.519 371 2HG LYS 50 HG1 LYS 50 -11.689 -6.820 0.976 372 1HD LYS 50 HD2 LYS 50 -12.191 -4.541 1.804 373 2HD LYS 50 HD1 LYS 50 -11.557 -3.859 0.310 374 1HE LYS 50 HE2 LYS 50 -13.731 -5.942 0.206 375 2HE LYS 50 HE1 LYS 50 -14.141 -4.262 0.530 376 1HZ LYS 50 HZ3 LYS 50 -12.337 -4.694 -1.694 377 2HZ LYS 50 HZ2 LYS 50 -13.913 -5.293 -1.910 378 3HZ LYS 50 HZ1 LYS 50 -13.670 -3.650 -1.556 379 H THR 51 HN THR 51 -6.485 -6.359 -0.858 380 HA THR 51 HA THR 51 -4.959 -5.507 1.565 381 HB THR 51 HB THR 51 -4.566 -8.116 0.019 382 HG1 THR 51 HG1 THR 51 -5.873 -8.623 1.602 383 1HG2 THR 51 HG22 THR 51 -2.500 -6.636 1.196 384 2HG2 THR 51 HG21 THR 51 -3.035 -7.691 2.494 385 3HG2 THR 51 HG23 THR 51 -2.496 -8.375 0.967 386 H PHE 52 HN PHE 52 -3.712 -3.824 0.857 387 HA PHE 52 HA PHE 52 -3.049 -3.569 -1.976 388 1HB PHE 52 HB2 PHE 52 -3.025 -1.874 0.366 389 2HB PHE 52 HB1 PHE 52 -1.516 -1.737 -0.527 390 HD1 PHE 52 HD1 PHE 52 -1.553 -1.027 -2.945 391 HD2 PHE 52 HD2 PHE 52 -5.098 -1.173 -0.624 392 HE1 PHE 52 HE1 PHE 52 -2.736 0.330 -4.632 393 HE2 PHE 52 HE2 PHE 52 -6.229 0.277 -2.218 394 HZ PHE 52 HZ PHE 52 -5.037 1.069 -4.206 395 H THR 53 HN THR 53 -0.744 -3.276 -2.650 396 HA THR 53 HA THR 53 1.290 -4.411 -0.875 397 HB THR 53 HB THR 53 0.419 -5.914 -3.372 398 HG1 THR 53 HG1 THR 53 -0.850 -6.346 -1.597 399 1HG2 THR 53 HG23 THR 53 2.920 -5.893 -1.801 400 2HG2 THR 53 HG22 THR 53 2.156 -7.479 -1.873 401 3HG2 THR 53 HG21 THR 53 2.602 -6.648 -3.361 402 H VAL 54 HN VAL 54 3.375 -3.958 -1.557 403 HA VAL 54 HA VAL 54 3.755 -2.741 -4.223 404 HB VAL 54 HB VAL 54 3.069 -0.890 -2.647 405 1HG1 VAL 54 HG12 VAL 54 4.217 -2.005 -0.679 406 2HG1 VAL 54 HG11 VAL 54 5.744 -1.429 -1.339 407 3HG1 VAL 54 HG13 VAL 54 4.510 -0.279 -0.836 408 1HG2 VAL 54 HG23 VAL 54 5.867 -0.894 -3.812 409 2HG2 VAL 54 HG22 VAL 54 4.404 -0.247 -4.535 410 3HG2 VAL 54 HG21 VAL 54 5.119 0.546 -3.140 411 H THR 55 HN THR 55 5.937 -2.748 -4.863 412 HA THR 55 HA THR 55 7.904 -3.930 -2.970 413 HB THR 55 HB THR 55 7.304 -5.153 -5.700 414 HG1 THR 55 HG1 THR 55 6.330 -6.687 -4.450 415 1HG2 THR 55 HG22 THR 55 9.482 -5.461 -3.701 416 2HG2 THR 55 HG21 THR 55 8.704 -6.966 -4.183 417 3HG2 THR 55 HG23 THR 55 9.454 -5.935 -5.393 418 H GLU 56 HN GLU 56 9.619 -2.610 -3.061 419 HA GLU 56 HA GLU 56 10.078 -0.685 -5.112 420 1HB GLU 56 HB2 GLU 56 11.193 -1.267 -2.635 421 2HB GLU 56 HB1 GLU 56 12.519 -1.545 -3.755 422 1HG GLU 56 HG2 GLU 56 10.813 0.971 -3.635 423 2HG GLU 56 HG1 GLU 56 12.457 0.821 -3.020 Start of MODEL 33 Raw file had 423 H/Q atoms Entry Start of MODEL 33 1 1H MET 1 HT2 MET 1 -12.368 1.281 1.536 2 2H MET 1 HT1 MET 1 -13.538 0.068 1.327 3 3H MET 1 HT3 MET 1 -13.983 1.576 1.974 4 HA MET 1 HA MET 1 -13.478 0.961 4.021 5 1HB MET 1 HB2 MET 1 -13.857 -1.433 2.524 6 2HB MET 1 HB1 MET 1 -12.561 -1.729 3.678 7 1HG MET 1 HG2 MET 1 -13.977 -0.819 5.482 8 2HG MET 1 HG1 MET 1 -15.261 -0.536 4.337 9 1HE MET 1 HE2 MET 1 -16.225 -1.228 6.360 10 2HE MET 1 HE1 MET 1 -17.345 -2.461 5.779 11 3HE MET 1 HE3 MET 1 -16.218 -2.837 7.083 12 H THR 2 HN THR 2 -11.661 -0.628 5.249 13 HA THR 2 HA THR 2 -9.144 0.792 4.629 14 HB THR 2 HB THR 2 -9.548 -1.132 6.939 15 HG1 THR 2 HG1 THR 2 -10.995 0.248 7.624 16 1HG2 THR 2 HG21 THR 2 -7.333 0.251 6.262 17 2HG2 THR 2 HG23 THR 2 -8.211 1.548 7.066 18 3HG2 THR 2 HG22 THR 2 -7.818 0.074 7.945 19 OH TYR 3 OH TYR 3 -11.441 0.414 -0.909 20 H TYR 3 HN TYR 3 -7.638 -0.122 3.378 21 HA TYR 3 HA TYR 3 -7.692 -3.083 3.015 22 1HB TYR 3 HB2 TYR 3 -5.992 -1.167 1.424 23 2HB TYR 3 HB1 TYR 3 -6.550 -2.771 0.968 24 HD1 TYR 3 HD1 TYR 3 -7.800 0.661 1.767 25 HD2 TYR 3 HD2 TYR 3 -8.573 -3.017 -0.216 26 HE1 TYR 3 HE1 TYR 3 -9.798 1.634 0.737 27 HE2 TYR 3 HE2 TYR 3 -10.570 -2.042 -1.251 28 HH TYR 3 HH TYR 3 -11.883 0.954 -0.249 29 H LYS 4 HN LYS 4 -5.431 -4.057 2.706 30 HA LYS 4 HA LYS 4 -3.648 -3.014 4.881 31 1HB LYS 4 HB2 LYS 4 -4.918 -5.365 4.961 32 2HB LYS 4 HB1 LYS 4 -3.544 -5.867 3.988 33 1HG LYS 4 HG2 LYS 4 -2.199 -4.523 5.886 34 2HG LYS 4 HG1 LYS 4 -3.617 -4.963 6.833 35 1HD LYS 4 HD2 LYS 4 -3.279 -7.349 5.955 36 2HD LYS 4 HD1 LYS 4 -1.703 -6.810 5.388 37 1HE LYS 4 HE2 LYS 4 -1.657 -5.851 7.937 38 2HE LYS 4 HE1 LYS 4 -2.656 -7.282 8.160 39 1HZ LYS 4 HZ3 LYS 4 -0.900 -8.549 6.976 40 2HZ LYS 4 HZ2 LYS 4 0.075 -7.160 7.018 41 3HZ LYS 4 HZ1 LYS 4 -0.408 -7.903 8.467 42 H LEU 5 HN LEU 5 -1.829 -2.165 4.068 43 HA LEU 5 HA LEU 5 -0.913 -2.877 1.384 44 1HB LEU 5 HB2 LEU 5 -0.711 -0.557 2.042 45 2HB LEU 5 HB1 LEU 5 0.140 -0.985 3.518 46 HG LEU 5 HG LEU 5 2.052 -1.853 2.076 47 1HD1 LEU 5 HD12 LEU 5 0.413 -0.535 -0.112 48 2HD1 LEU 5 HD11 LEU 5 2.078 -1.067 -0.290 49 3HD1 LEU 5 HD13 LEU 5 0.807 -2.248 -0.013 50 1HD2 LEU 5 HD22 LEU 5 1.929 0.466 3.077 51 2HD2 LEU 5 HD21 LEU 5 2.942 0.336 1.642 52 3HD2 LEU 5 HD23 LEU 5 1.328 1.029 1.520 53 H ILE 6 HN ILE 6 1.112 -3.796 0.901 54 HA ILE 6 HA ILE 6 2.516 -5.161 3.115 55 HB ILE 6 HB ILE 6 1.630 -6.282 0.468 56 1HG1 ILE 6 HG12 ILE 6 1.540 -7.368 3.308 57 2HG1 ILE 6 HG11 ILE 6 0.207 -6.518 2.540 58 1HG2 ILE 6 HG22 ILE 6 3.950 -7.107 2.222 59 2HG2 ILE 6 HG21 ILE 6 3.127 -8.283 1.207 60 3HG2 ILE 6 HG23 ILE 6 3.925 -6.900 0.474 61 1HD1 ILE 6 HD1 ILE 6 0.722 -8.401 0.636 62 2HD1 ILE 6 HD3 ILE 6 1.198 -9.284 2.082 63 3HD1 ILE 6 HD2 ILE 6 -0.432 -8.641 1.940 64 H LEU 7 HN LEU 7 4.306 -3.915 3.229 65 HA LEU 7 HA LEU 7 5.555 -2.820 0.832 66 1HB LEU 7 HB2 LEU 7 6.431 -2.847 3.721 67 2HB LEU 7 HB1 LEU 7 7.270 -1.981 2.441 68 HG LEU 7 HG LEU 7 4.390 -1.441 2.451 69 1HD1 LEU 7 HD11 LEU 7 6.060 -0.802 4.904 70 2HD1 LEU 7 HD13 LEU 7 4.545 0.009 4.523 71 3HD1 LEU 7 HD12 LEU 7 4.558 -1.720 4.854 72 1HD2 LEU 7 HD22 LEU 7 6.857 0.313 2.724 73 2HD2 LEU 7 HD21 LEU 7 6.093 -0.139 1.204 74 3HD2 LEU 7 HD23 LEU 7 5.234 0.884 2.351 75 H ASN 8 HN ASN 8 6.755 -4.015 -0.480 76 HA ASN 8 HA ASN 8 8.335 -6.261 0.682 77 1HB ASN 8 HB2 ASN 8 6.778 -5.906 -1.734 78 2HB ASN 8 HB1 ASN 8 8.419 -6.370 -2.135 79 1HD2 ASN 8 HD22 ASN 8 5.983 -9.204 -1.034 80 2HD2 ASN 8 HD21 ASN 8 5.564 -7.748 -1.784 81 H GLY 9 HN GLY 9 9.191 -3.591 1.016 82 1HA GLY 9 HA2 GLY 9 10.985 -2.607 -0.917 83 2HA GLY 9 HA1 GLY 9 11.172 -2.343 0.808 84 H LYS 10 HN LYS 10 13.009 -3.098 -1.530 85 HA LYS 10 HA LYS 10 14.040 -5.725 -0.948 86 1HB LYS 10 HB2 LYS 10 14.418 -4.124 -3.021 87 2HB LYS 10 HB1 LYS 10 15.782 -3.554 -2.066 88 1HG LYS 10 HG2 LYS 10 16.640 -5.858 -1.884 89 2HG LYS 10 HG1 LYS 10 15.257 -6.459 -2.792 90 1HD LYS 10 HD2 LYS 10 16.831 -4.258 -4.045 91 2HD LYS 10 HD1 LYS 10 17.593 -5.843 -3.983 92 1HE LYS 10 HE2 LYS 10 14.756 -5.486 -4.967 93 2HE LYS 10 HE1 LYS 10 16.132 -5.327 -6.050 94 1HZ LYS 10 HZ1 LYS 10 16.228 -7.680 -4.405 95 2HZ LYS 10 HZ3 LYS 10 14.884 -7.637 -5.443 96 3HZ LYS 10 HZ2 LYS 10 16.454 -7.512 -6.079 97 H THR 11 HN THR 11 14.261 -2.717 0.593 98 HA THR 11 HA THR 11 16.389 -3.769 2.397 99 HB THR 11 HB THR 11 16.826 -1.126 2.618 100 HG1 THR 11 HG1 THR 11 15.036 -1.433 0.698 101 1HG2 THR 11 HG23 THR 11 17.820 -3.142 0.644 102 2HG2 THR 11 HG22 THR 11 18.193 -1.454 0.309 103 3HG2 THR 11 HG21 THR 11 18.737 -2.195 1.812 104 H LEU 12 HN LEU 12 13.227 -2.842 2.082 105 HA LEU 12 HA LEU 12 12.960 -2.575 5.016 106 1HB LEU 12 HB2 LEU 12 13.315 -0.246 3.998 107 2HB LEU 12 HB1 LEU 12 11.727 -0.450 3.265 108 HG LEU 12 HG LEU 12 11.078 -1.158 5.766 109 1HD1 LEU 12 HD11 LEU 12 13.603 -0.739 6.332 110 2HD1 LEU 12 HD13 LEU 12 13.152 0.962 6.303 111 3HD1 LEU 12 HD12 LEU 12 12.377 -0.134 7.442 112 1HD2 LEU 12 HD21 LEU 12 11.442 1.677 4.740 113 2HD2 LEU 12 HD23 LEU 12 10.013 0.666 4.547 114 3HD2 LEU 12 HD22 LEU 12 10.467 1.254 6.144 115 H LYS 13 HN LYS 13 11.653 -4.330 5.191 116 HA LYS 13 HA LYS 13 9.219 -4.445 3.467 117 1HB LYS 13 HB2 LYS 13 10.524 -6.563 5.189 118 2HB LYS 13 HB1 LYS 13 9.055 -6.802 4.252 119 1HG LYS 13 HG2 LYS 13 10.192 -6.550 2.189 120 2HG LYS 13 HG1 LYS 13 11.581 -5.779 2.948 121 1HD LYS 13 HD2 LYS 13 11.992 -8.179 2.295 122 2HD LYS 13 HD1 LYS 13 12.234 -7.863 4.010 123 1HE LYS 13 HE2 LYS 13 10.151 -8.853 4.597 124 2HE LYS 13 HE1 LYS 13 9.570 -8.807 2.937 125 1HZ LYS 13 HZ2 LYS 13 11.831 -10.464 3.905 126 2HZ LYS 13 HZ1 LYS 13 10.254 -11.028 3.623 127 3HZ LYS 13 HZ3 LYS 13 11.194 -10.455 2.330 128 H GLY 14 HN GLY 14 7.190 -4.395 4.354 129 1HA GLY 14 HA2 GLY 14 6.739 -4.688 7.211 130 2HA GLY 14 HA1 GLY 14 6.659 -3.005 6.699 131 H GLU 15 HN GLU 15 4.410 -3.132 7.405 132 HA GLU 15 HA GLU 15 2.591 -3.498 5.239 133 1HB GLU 15 HB2 GLU 15 1.274 -5.389 6.467 134 2HB GLU 15 HB1 GLU 15 2.661 -5.831 5.478 135 1HG GLU 15 HG2 GLU 15 3.958 -6.375 7.304 136 2HG GLU 15 HG1 GLU 15 3.227 -5.137 8.323 137 H THR 16 HN THR 16 0.903 -2.191 5.649 138 HA THR 16 HA THR 16 -0.002 -1.824 8.454 139 HB THR 16 HB THR 16 1.741 -0.016 7.896 140 HG1 THR 16 HG1 THR 16 0.340 0.479 9.484 141 1HG2 THR 16 HG23 THR 16 0.397 0.218 5.511 142 2HG2 THR 16 HG22 THR 16 -0.414 1.448 6.472 143 3HG2 THR 16 HG21 THR 16 1.328 1.527 6.229 144 H THR 17 HN THR 17 -1.967 -0.181 8.367 145 HA THR 17 HA THR 17 -3.608 -0.830 5.942 146 HB THR 17 HB THR 17 -5.455 -1.504 7.283 147 HG1 THR 17 HG1 THR 17 -5.733 -0.561 9.204 148 1HG2 THR 17 HG22 THR 17 -3.143 -2.864 7.729 149 2HG2 THR 17 HG21 THR 17 -3.433 -2.248 9.350 150 3HG2 THR 17 HG23 THR 17 -4.638 -3.263 8.564 151 H THR 18 HN THR 18 -4.918 0.778 5.193 152 HA THR 18 HA THR 18 -5.032 3.318 6.767 153 HB THR 18 HB THR 18 -3.313 3.270 4.765 154 HG1 THR 18 HG1 THR 18 -5.426 5.103 5.261 155 1HG2 THR 18 HG21 THR 18 -5.347 2.397 3.248 156 2HG2 THR 18 HG23 THR 18 -5.751 4.109 3.219 157 3HG2 THR 18 HG22 THR 18 -4.194 3.561 2.608 158 H GLU 19 HN GLU 19 -6.912 4.531 6.508 159 HA GLU 19 HA GLU 19 -9.223 2.996 5.525 160 1HB GLU 19 HB2 GLU 19 -9.397 4.193 7.661 161 2HB GLU 19 HB1 GLU 19 -9.053 5.715 6.850 162 1HG GLU 19 HG2 GLU 19 -11.235 4.240 5.564 163 2HG GLU 19 HG1 GLU 19 -11.588 4.630 7.245 164 H ALA 20 HN ALA 20 -10.048 3.217 3.553 165 HA ALA 20 HA ALA 20 -9.774 5.830 2.149 166 1HB ALA 20 HB1 ALA 20 -8.403 3.371 1.461 167 2HB ALA 20 HB3 ALA 20 -9.467 3.879 0.152 168 3HB ALA 20 HB2 ALA 20 -8.226 4.973 0.754 169 H VAL 21 HN VAL 21 -11.387 6.214 0.577 170 HA VAL 21 HA VAL 21 -13.840 4.624 1.030 171 HB VAL 21 HB VAL 21 -14.124 7.014 1.167 172 1HG1 VAL 21 HG13 VAL 21 -12.823 7.038 -1.579 173 2HG1 VAL 21 HG12 VAL 21 -13.585 8.439 -0.834 174 3HG1 VAL 21 HG11 VAL 21 -12.158 7.717 -0.098 175 1HG2 VAL 21 HG22 VAL 21 -15.713 5.438 -0.307 176 2HG2 VAL 21 HG21 VAL 21 -15.998 7.172 -0.189 177 3HG2 VAL 21 HG23 VAL 21 -15.167 6.509 -1.594 178 H ASP 22 HN ASP 22 -11.407 5.103 -1.366 179 HA ASP 22 HA ASP 22 -12.791 3.132 -3.099 180 1HB ASP 22 HB2 ASP 22 -12.664 4.450 -5.068 181 2HB ASP 22 HB1 ASP 22 -13.291 5.547 -3.841 182 H ALA 23 HN ALA 23 -11.297 2.387 -4.883 183 HA ALA 23 HA ALA 23 -8.772 1.606 -3.709 184 1HB ALA 23 HB2 ALA 23 -10.219 1.101 -6.253 185 2HB ALA 23 HB1 ALA 23 -8.472 0.883 -6.286 186 3HB ALA 23 HB3 ALA 23 -9.454 -0.040 -5.152 187 H ALA 24 HN ALA 24 -9.769 4.113 -5.918 188 HA ALA 24 HA ALA 24 -7.179 4.728 -6.994 189 1HB ALA 24 HB1 ALA 24 -9.710 5.614 -7.488 190 2HB ALA 24 HB3 ALA 24 -9.040 6.991 -6.617 191 3HB ALA 24 HB2 ALA 24 -8.257 6.412 -8.084 192 H THR 25 HN THR 25 -9.027 6.450 -4.475 193 HA THR 25 HA THR 25 -6.879 8.117 -3.656 194 HB THR 25 HB THR 25 -9.396 8.281 -2.997 195 HG1 THR 25 HG1 THR 25 -8.107 9.749 -2.088 196 1HG2 THR 25 HG22 THR 25 -9.040 5.880 -1.779 197 2HG2 THR 25 HG21 THR 25 -8.519 6.941 -0.473 198 3HG2 THR 25 HG23 THR 25 -10.141 7.093 -1.138 199 H ALA 26 HN ALA 26 -7.547 4.784 -3.014 200 HA ALA 26 HA ALA 26 -5.957 4.509 -0.631 201 1HB ALA 26 HB2 ALA 26 -7.585 2.788 -1.417 202 2HB ALA 26 HB1 ALA 26 -6.509 2.424 -2.763 203 3HB ALA 26 HB3 ALA 26 -5.988 2.111 -1.110 204 H GLU 27 HN GLU 27 -5.235 4.266 -4.082 205 HA GLU 27 HA GLU 27 -2.545 3.364 -3.867 206 1HB GLU 27 HB2 GLU 27 -4.126 4.870 -5.908 207 2HB GLU 27 HB1 GLU 27 -2.376 4.871 -6.069 208 1HG GLU 27 HG2 GLU 27 -2.375 2.388 -5.985 209 2HG GLU 27 HG1 GLU 27 -4.129 2.403 -5.851 210 H LYS 28 HN LYS 28 -3.857 6.647 -4.072 211 HA LYS 28 HA LYS 28 -1.329 7.974 -3.753 212 1HB LYS 28 HB2 LYS 28 -4.166 8.884 -3.241 213 2HB LYS 28 HB1 LYS 28 -2.774 9.959 -3.175 214 1HG LYS 28 HG2 LYS 28 -2.284 9.643 -5.491 215 2HG LYS 28 HG1 LYS 28 -3.337 8.238 -5.602 216 1HD LYS 28 HD2 LYS 28 -4.828 10.561 -4.668 217 2HD LYS 28 HD1 LYS 28 -4.025 10.907 -6.193 218 1HE LYS 28 HE2 LYS 28 -5.004 8.905 -7.208 219 2HE LYS 28 HE1 LYS 28 -5.737 8.457 -5.675 220 1HZ LYS 28 HZ3 LYS 28 -6.427 11.112 -6.384 221 2HZ LYS 28 HZ2 LYS 28 -6.832 10.038 -7.635 222 3HZ LYS 28 HZ1 LYS 28 -7.440 9.785 -6.070 223 H VAL 29 HN VAL 29 -3.914 7.178 -1.463 224 HA VAL 29 HA VAL 29 -2.829 8.391 0.840 225 HB VAL 29 HB VAL 29 -4.430 5.835 0.583 226 1HG1 VAL 29 HG13 VAL 29 -3.613 7.494 2.981 227 2HG1 VAL 29 HG12 VAL 29 -5.008 6.420 3.017 228 3HG1 VAL 29 HG11 VAL 29 -3.398 5.763 2.743 229 1HG2 VAL 29 HG22 VAL 29 -5.155 8.417 -0.010 230 2HG2 VAL 29 HG21 VAL 29 -6.282 7.177 0.531 231 3HG2 VAL 29 HG23 VAL 29 -5.603 8.314 1.690 232 H PHE 30 HN PHE 30 -2.422 5.006 -0.212 233 HA PHE 30 HA PHE 30 -0.464 4.415 1.810 234 1HB PHE 30 HB2 PHE 30 -1.378 3.077 -0.710 235 2HB PHE 30 HB1 PHE 30 0.109 2.519 0.049 236 HD1 PHE 30 HD1 PHE 30 -0.156 2.339 2.779 237 HD2 PHE 30 HD2 PHE 30 -3.313 1.939 -0.059 238 HE1 PHE 30 HE1 PHE 30 -1.487 1.086 4.422 239 HE2 PHE 30 HE2 PHE 30 -4.615 0.677 1.586 240 HZ PHE 30 HZ PHE 30 -3.702 0.221 3.816 241 H LYS 31 HN LYS 31 -0.209 5.410 -1.581 242 HA LYS 31 HA LYS 31 2.601 5.181 -1.847 243 1HB LYS 31 HB2 LYS 31 1.087 5.678 -3.737 244 2HB LYS 31 HB1 LYS 31 0.793 7.280 -3.064 245 1HG LYS 31 HG2 LYS 31 3.079 7.935 -3.380 246 2HG LYS 31 HG1 LYS 31 3.576 6.280 -3.717 247 1HD LYS 31 HD2 LYS 31 2.606 6.283 -5.850 248 2HD LYS 31 HD1 LYS 31 1.487 7.581 -5.447 249 1HE LYS 31 HE2 LYS 31 3.257 9.220 -5.474 250 2HE LYS 31 HE1 LYS 31 4.490 7.970 -5.587 251 1HZ LYS 31 HZ3 LYS 31 2.510 7.863 -7.674 252 2HZ LYS 31 HZ2 LYS 31 3.434 9.288 -7.675 253 3HZ LYS 31 HZ1 LYS 31 4.202 7.776 -7.773 254 H GLN 32 HN GLN 32 0.621 7.731 -0.456 255 HA GLN 32 HA GLN 32 2.765 9.603 -0.038 256 1HB GLN 32 HB2 GLN 32 0.298 10.134 0.070 257 2HB GLN 32 HB1 GLN 32 0.248 9.306 1.621 258 1HG GLN 32 HG2 GLN 32 2.059 10.861 2.436 259 2HG GLN 32 HG1 GLN 32 1.912 11.748 0.921 260 1HE2 GLN 32 HE22 GLN 32 -0.951 12.148 3.804 261 2HE2 GLN 32 HE21 GLN 32 0.269 10.977 3.958 262 OH TYR 33 OH TYR 33 4.588 2.748 8.124 263 H TYR 33 HN TYR 33 1.601 6.820 1.692 264 HA TYR 33 HA TYR 33 3.101 7.381 4.126 265 1HB TYR 33 HB2 TYR 33 1.099 6.008 4.273 266 2HB TYR 33 HB1 TYR 33 1.762 4.863 3.111 267 HD1 TYR 33 HD1 TYR 33 3.760 3.487 3.736 268 HD2 TYR 33 HD2 TYR 33 1.789 5.956 6.583 269 HE1 TYR 33 HE1 TYR 33 4.873 2.278 5.553 270 HE2 TYR 33 HE2 TYR 33 2.902 4.746 8.402 271 HH TYR 33 HH TYR 33 3.925 2.526 8.781 272 H ALA 34 HN ALA 34 3.405 4.936 1.567 273 HA ALA 34 HA ALA 34 5.845 3.800 2.324 274 1HB ALA 34 HB2 ALA 34 4.197 3.675 0.082 275 2HB ALA 34 HB1 ALA 34 5.733 4.252 -0.556 276 3HB ALA 34 HB3 ALA 34 5.664 2.736 0.337 277 H ASN 35 HN ASN 35 5.220 6.870 0.778 278 HA ASN 35 HA ASN 35 7.868 7.495 -0.064 279 1HB ASN 35 HB2 ASN 35 5.908 8.827 -0.734 280 2HB ASN 35 HB1 ASN 35 5.694 9.359 0.931 281 1HD2 ASN 35 HD22 ASN 35 8.343 11.717 0.815 282 2HD2 ASN 35 HD21 ASN 35 7.278 10.861 1.822 283 H ASP 36 HN ASP 36 6.209 8.024 3.015 284 HA ASP 36 HA ASP 36 8.441 9.376 4.263 285 1HB ASP 36 HB2 ASP 36 6.065 7.936 5.476 286 2HB ASP 36 HB1 ASP 36 7.186 8.957 6.374 287 H ASN 37 HN ASN 37 8.374 6.396 3.095 288 HA ASN 37 HA ASN 37 10.096 5.287 5.284 289 1HB ASN 37 HB2 ASN 37 8.117 3.858 3.496 290 2HB ASN 37 HB1 ASN 37 9.310 3.019 4.483 291 1HD2 ASN 37 HD22 ASN 37 5.980 4.574 6.209 292 2HD2 ASN 37 HD21 ASN 37 6.274 4.749 4.547 293 H GLY 38 HN GLY 38 9.647 5.908 1.918 294 1HA GLY 38 HA2 GLY 38 11.441 6.082 0.335 295 2HA GLY 38 HA1 GLY 38 12.465 5.161 1.433 296 H VAL 39 HN VAL 39 9.224 4.292 0.356 297 HA VAL 39 HA VAL 39 10.398 1.988 -1.161 298 HB VAL 39 HB VAL 39 7.861 1.924 0.490 299 1HG1 VAL 39 HG13 VAL 39 9.471 -0.171 -1.002 300 2HG1 VAL 39 HG12 VAL 39 8.195 -0.565 0.146 301 3HG1 VAL 39 HG11 VAL 39 7.812 0.322 -1.326 302 1HG2 VAL 39 HG21 VAL 39 10.624 0.812 1.092 303 2HG2 VAL 39 HG23 VAL 39 9.866 2.167 1.924 304 3HG2 VAL 39 HG22 VAL 39 9.183 0.550 2.070 305 H ASP 40 HN ASP 40 10.087 2.752 -3.212 306 HA ASP 40 HA ASP 40 7.268 2.994 -4.084 307 1HB ASP 40 HB2 ASP 40 9.265 5.201 -4.084 308 2HB ASP 40 HB1 ASP 40 8.238 5.053 -5.508 309 H GLY 41 HN GLY 41 6.937 2.373 -6.193 310 1HA GLY 41 HA2 GLY 41 8.687 2.274 -8.338 311 2HA GLY 41 HA1 GLY 41 9.062 0.812 -7.428 312 H GLU 42 HN GLU 42 7.650 -0.896 -7.481 313 HA GLU 42 HA GLU 42 5.462 -0.687 -9.481 314 1HB GLU 42 HB2 GLU 42 6.567 -3.141 -8.116 315 2HB GLU 42 HB1 GLU 42 5.515 -3.110 -9.523 316 1HG GLU 42 HG2 GLU 42 7.330 -2.958 -10.861 317 2HG GLU 42 HG1 GLU 42 7.759 -1.432 -10.093 318 CH2 TRP 43 CH2 TRP 43 2.078 2.597 -2.255 319 H TRP 43 HN TRP 43 3.366 -0.767 -8.906 320 HA TRP 43 HA TRP 43 2.740 -1.354 -6.033 321 1HB TRP 43 HB2 TRP 43 1.693 0.707 -7.943 322 2HB TRP 43 HB1 TRP 43 0.731 0.201 -6.565 323 HD1 TRP 43 HD1 TRP 43 4.316 1.436 -7.326 324 HE1 TRP 43 HE1 TRP 43 5.028 2.828 -5.323 325 HE3 TRP 43 HE3 TRP 43 0.349 0.701 -4.418 326 HZ2 TRP 43 HZ2 TRP 43 3.989 3.469 -2.624 327 HZ3 TRP 43 HZ3 TRP 43 0.190 1.609 -2.156 328 HH2 TRP 43 HH2 TRP 43 2.005 2.995 -1.253 329 H THR 44 HN THR 44 1.165 -2.768 -5.587 330 HA THR 44 HA THR 44 -0.421 -3.873 -7.877 331 HB THR 44 HB THR 44 -0.287 -6.083 -6.466 332 HG1 THR 44 HG1 THR 44 2.135 -5.305 -5.572 333 1HG2 THR 44 HG22 THR 44 1.803 -4.801 -8.166 334 2HG2 THR 44 HG21 THR 44 2.350 -6.147 -7.170 335 3HG2 THR 44 HG23 THR 44 1.054 -6.385 -8.338 336 OH TYR 45 OH TYR 45 -8.905 -1.425 -3.043 337 H TYR 45 HN TYR 45 -2.386 -5.062 -7.122 338 HA TYR 45 HA TYR 45 -3.540 -3.993 -4.592 339 1HB TYR 45 HB2 TYR 45 -4.097 -2.569 -6.686 340 2HB TYR 45 HB1 TYR 45 -5.091 -3.935 -7.192 341 HD1 TYR 45 HD1 TYR 45 -6.578 -4.831 -4.861 342 HD2 TYR 45 HD2 TYR 45 -5.399 -0.865 -5.832 343 HE1 TYR 45 HE1 TYR 45 -8.336 -3.955 -3.419 344 HE2 TYR 45 HE2 TYR 45 -7.212 0.004 -4.445 345 HH TYR 45 HH TYR 45 -9.604 -1.107 -3.619 346 H ASP 46 HN ASP 46 -4.511 -5.603 -3.507 347 HA ASP 46 HA ASP 46 -5.189 -8.107 -4.989 348 1HB ASP 46 HB2 ASP 46 -3.585 -8.084 -2.960 349 2HB ASP 46 HB1 ASP 46 -5.036 -7.835 -1.993 350 H ASP 47 HN ASP 47 -7.173 -6.927 -5.717 351 HA ASP 47 HA ASP 47 -9.199 -6.124 -3.852 352 1HB ASP 47 HB2 ASP 47 -9.162 -5.467 -6.257 353 2HB ASP 47 HB1 ASP 47 -9.573 -7.126 -6.687 354 H ALA 48 HN ALA 48 -7.913 -9.081 -4.180 355 HA ALA 48 HA ALA 48 -10.386 -10.663 -4.118 356 1HB ALA 48 HB3 ALA 48 -7.842 -11.255 -4.880 357 2HB ALA 48 HB2 ALA 48 -7.850 -11.915 -3.247 358 3HB ALA 48 HB1 ALA 48 -9.030 -12.473 -4.427 359 H THR 49 HN THR 49 -8.233 -9.164 -1.862 360 HA THR 49 HA THR 49 -9.954 -10.125 0.359 361 HB THR 49 HB THR 49 -7.670 -10.445 1.675 362 HG1 THR 49 HG1 THR 49 -6.332 -11.369 -0.266 363 1HG2 THR 49 HG23 THR 49 -8.635 -12.362 -0.486 364 2HG2 THR 49 HG22 THR 49 -7.450 -12.789 0.742 365 3HG2 THR 49 HG21 THR 49 -9.100 -12.392 1.213 366 H LYS 50 HN LYS 50 -9.210 -7.552 -1.137 367 HA LYS 50 HA LYS 50 -8.841 -5.298 -0.589 368 1HB LYS 50 HB2 LYS 50 -9.856 -6.314 2.081 369 2HB LYS 50 HB1 LYS 50 -9.705 -4.614 1.648 370 1HG LYS 50 HG2 LYS 50 -11.633 -4.670 0.467 371 2HG LYS 50 HG1 LYS 50 -11.116 -6.101 -0.419 372 1HD LYS 50 HD2 LYS 50 -11.812 -7.539 1.445 373 2HD LYS 50 HD1 LYS 50 -12.258 -6.126 2.395 374 1HE LYS 50 HE2 LYS 50 -13.824 -5.513 0.447 375 2HE LYS 50 HE1 LYS 50 -13.551 -7.147 -0.143 376 1HZ LYS 50 HZ3 LYS 50 -14.128 -7.493 2.489 377 2HZ LYS 50 HZ2 LYS 50 -15.178 -6.244 2.023 378 3HZ LYS 50 HZ1 LYS 50 -15.201 -7.726 1.194 379 H THR 51 HN THR 51 -6.525 -6.383 -0.768 380 HA THR 51 HA THR 51 -5.001 -5.395 1.602 381 HB THR 51 HB THR 51 -4.841 -8.135 0.316 382 HG1 THR 51 HG1 THR 51 -5.713 -8.399 2.220 383 1HG2 THR 51 HG23 THR 51 -2.698 -6.788 2.006 384 2HG2 THR 51 HG22 THR 51 -2.732 -8.489 1.573 385 3HG2 THR 51 HG21 THR 51 -2.486 -7.270 0.329 386 H PHE 52 HN PHE 52 -3.653 -3.817 0.876 387 HA PHE 52 HA PHE 52 -3.022 -3.650 -1.976 388 1HB PHE 52 HB2 PHE 52 -2.969 -1.877 0.307 389 2HB PHE 52 HB1 PHE 52 -1.475 -1.777 -0.614 390 HD1 PHE 52 HD1 PHE 52 -1.525 -1.124 -3.022 391 HD2 PHE 52 HD2 PHE 52 -5.071 -1.236 -0.696 392 HE1 PHE 52 HE1 PHE 52 -2.727 0.130 -4.768 393 HE2 PHE 52 HE2 PHE 52 -6.221 0.136 -2.350 394 HZ PHE 52 HZ PHE 52 -5.040 0.859 -4.370 395 H THR 53 HN THR 53 -0.721 -3.330 -2.659 396 HA THR 53 HA THR 53 1.353 -4.426 -0.917 397 HB THR 53 HB THR 53 0.396 -6.005 -3.334 398 HG1 THR 53 HG1 THR 53 0.435 -7.522 -1.389 399 1HG2 THR 53 HG23 THR 53 3.005 -5.862 -2.013 400 2HG2 THR 53 HG22 THR 53 2.275 -7.453 -1.820 401 3HG2 THR 53 HG21 THR 53 2.544 -6.797 -3.432 402 H VAL 54 HN VAL 54 3.348 -3.748 -1.538 403 HA VAL 54 HA VAL 54 3.685 -2.691 -4.301 404 HB VAL 54 HB VAL 54 3.016 -0.806 -2.758 405 1HG1 VAL 54 HG12 VAL 54 4.229 -1.852 -0.786 406 2HG1 VAL 54 HG11 VAL 54 5.729 -1.270 -1.500 407 3HG1 VAL 54 HG13 VAL 54 4.487 -0.128 -0.998 408 1HG2 VAL 54 HG21 VAL 54 5.799 -0.797 -3.959 409 2HG2 VAL 54 HG23 VAL 54 4.315 -0.235 -4.709 410 3HG2 VAL 54 HG22 VAL 54 5.007 0.648 -3.355 411 H THR 55 HN THR 55 5.873 -2.646 -4.973 412 HA THR 55 HA THR 55 7.873 -3.815 -3.105 413 HB THR 55 HB THR 55 7.279 -4.984 -5.859 414 HG1 THR 55 HG1 THR 55 6.545 -6.689 -4.521 415 1HG2 THR 55 HG21 THR 55 9.487 -5.285 -3.897 416 2HG2 THR 55 HG23 THR 55 8.738 -6.799 -4.396 417 3HG2 THR 55 HG22 THR 55 9.446 -5.728 -5.597 418 H GLU 56 HN GLU 56 9.595 -2.510 -3.182 419 HA GLU 56 HA GLU 56 10.002 -0.492 -5.148 420 1HB GLU 56 HB2 GLU 56 11.165 -1.162 -2.728 421 2HB GLU 56 HB1 GLU 56 12.468 -1.429 -3.877 422 1HG GLU 56 HG2 GLU 56 11.881 0.872 -4.852 423 2HG GLU 56 HG1 GLU 56 10.880 1.113 -3.421 Start of MODEL 34 Raw file had 423 H/Q atoms Entry Start of MODEL 34 1 1H MET 1 HT3 MET 1 -13.250 1.830 4.626 2 2H MET 1 HT2 MET 1 -13.663 2.274 3.038 3 3H MET 1 HT1 MET 1 -14.718 1.303 3.951 4 HA MET 1 HA MET 1 -13.430 -0.569 3.748 5 1HB MET 1 HB2 MET 1 -12.911 1.004 1.210 6 2HB MET 1 HB1 MET 1 -12.779 -0.743 1.370 7 1HG MET 1 HG2 MET 1 -15.297 0.053 2.435 8 2HG MET 1 HG1 MET 1 -15.113 0.850 0.896 9 1HE MET 1 HE3 MET 1 -15.556 -0.031 -1.250 10 2HE MET 1 HE2 MET 1 -16.641 -1.415 -1.387 11 3HE MET 1 HE1 MET 1 -17.047 -0.080 -0.311 12 H THR 2 HN THR 2 -11.700 -0.755 5.102 13 HA THR 2 HA THR 2 -9.206 0.712 4.459 14 HB THR 2 HB THR 2 -9.746 -1.163 6.796 15 HG1 THR 2 HG1 THR 2 -10.932 0.477 7.409 16 1HG2 THR 2 HG22 THR 2 -7.348 -0.059 5.930 17 2HG2 THR 2 HG21 THR 2 -7.951 1.160 7.046 18 3HG2 THR 2 HG23 THR 2 -7.703 -0.490 7.599 19 OH TYR 3 OH TYR 3 -11.433 0.425 -1.011 20 H TYR 3 HN TYR 3 -7.620 -0.194 3.313 21 HA TYR 3 HA TYR 3 -7.719 -3.146 2.864 22 1HB TYR 3 HB2 TYR 3 -6.005 -1.203 1.334 23 2HB TYR 3 HB1 TYR 3 -6.552 -2.795 0.840 24 HD1 TYR 3 HD1 TYR 3 -7.816 0.613 1.706 25 HD2 TYR 3 HD2 TYR 3 -8.570 -3.020 -0.360 26 HE1 TYR 3 HE1 TYR 3 -9.807 1.608 0.680 27 HE2 TYR 3 HE2 TYR 3 -10.556 -2.024 -1.396 28 HH TYR 3 HH TYR 3 -12.190 -0.125 -0.795 29 H LYS 4 HN LYS 4 -5.519 -4.177 2.623 30 HA LYS 4 HA LYS 4 -3.749 -3.215 4.843 31 1HB LYS 4 HB2 LYS 4 -4.971 -5.512 4.920 32 2HB LYS 4 HB1 LYS 4 -3.786 -6.017 3.733 33 1HG LYS 4 HG2 LYS 4 -1.958 -5.361 5.259 34 2HG LYS 4 HG1 LYS 4 -3.141 -4.852 6.452 35 1HD LYS 4 HD2 LYS 4 -3.963 -7.088 6.736 36 2HD LYS 4 HD1 LYS 4 -3.074 -7.658 5.329 37 1HE LYS 4 HE2 LYS 4 -1.027 -7.626 6.440 38 2HE LYS 4 HE1 LYS 4 -1.541 -6.378 7.567 39 1HZ LYS 4 HZ3 LYS 4 -2.973 -7.993 8.648 40 2HZ LYS 4 HZ2 LYS 4 -2.464 -9.197 7.564 41 3HZ LYS 4 HZ1 LYS 4 -1.356 -8.511 8.654 42 H LEU 5 HN LEU 5 -1.896 -2.320 4.110 43 HA LEU 5 HA LEU 5 -0.940 -2.988 1.409 44 1HB LEU 5 HB2 LEU 5 -0.787 -0.665 2.014 45 2HB LEU 5 HB1 LEU 5 -0.002 -1.038 3.541 46 HG LEU 5 HG LEU 5 1.998 -1.903 2.208 47 1HD1 LEU 5 HD11 LEU 5 0.447 -0.653 -0.082 48 2HD1 LEU 5 HD13 LEU 5 2.120 -1.183 -0.171 49 3HD1 LEU 5 HD12 LEU 5 0.840 -2.361 0.076 50 1HD2 LEU 5 HD22 LEU 5 1.744 0.459 3.142 51 2HD2 LEU 5 HD21 LEU 5 2.890 0.272 1.819 52 3HD2 LEU 5 HD23 LEU 5 1.295 0.948 1.513 53 H ILE 6 HN ILE 6 1.070 -3.925 0.960 54 HA ILE 6 HA ILE 6 2.476 -5.224 3.211 55 HB ILE 6 HB ILE 6 1.736 -6.377 0.524 56 1HG1 ILE 6 HG12 ILE 6 1.416 -7.680 3.212 57 2HG1 ILE 6 HG11 ILE 6 0.274 -6.438 2.727 58 1HG2 ILE 6 HG22 ILE 6 3.982 -7.007 2.381 59 2HG2 ILE 6 HG21 ILE 6 3.093 -8.379 1.735 60 3HG2 ILE 6 HG23 ILE 6 3.870 -7.243 0.640 61 1HD1 ILE 6 HD2 ILE 6 0.933 -8.907 1.083 62 2HD1 ILE 6 HD1 ILE 6 -0.498 -8.724 2.088 63 3HD1 ILE 6 HD3 ILE 6 -0.268 -7.687 0.688 64 H LEU 7 HN LEU 7 4.285 -4.022 3.355 65 HA LEU 7 HA LEU 7 5.565 -2.889 0.993 66 1HB LEU 7 HB2 LEU 7 6.162 -2.886 3.930 67 2HB LEU 7 HB1 LEU 7 7.362 -2.308 2.783 68 HG LEU 7 HG LEU 7 4.591 -1.291 2.398 69 1HD1 LEU 7 HD12 LEU 7 6.352 -0.518 4.747 70 2HD1 LEU 7 HD11 LEU 7 5.010 0.466 4.170 71 3HD1 LEU 7 HD13 LEU 7 4.707 -1.144 4.817 72 1HD2 LEU 7 HD21 LEU 7 6.578 -0.618 1.022 73 2HD2 LEU 7 HD23 LEU 7 5.824 0.747 1.840 74 3HD2 LEU 7 HD22 LEU 7 7.313 0.055 2.473 75 H ASN 8 HN ASN 8 6.689 -4.130 -0.347 76 HA ASN 8 HA ASN 8 8.313 -6.357 0.795 77 1HB ASN 8 HB2 ASN 8 6.673 -6.028 -1.586 78 2HB ASN 8 HB1 ASN 8 8.281 -6.580 -1.999 79 1HD2 ASN 8 HD22 ASN 8 5.780 -9.287 -0.803 80 2HD2 ASN 8 HD21 ASN 8 5.433 -7.868 -1.655 81 H GLY 9 HN GLY 9 9.168 -3.675 1.007 82 1HA GLY 9 HA2 GLY 9 10.901 -2.852 -1.088 83 2HA GLY 9 HA1 GLY 9 11.065 -2.351 0.584 84 H LYS 10 HN LYS 10 13.031 -3.206 -1.506 85 HA LYS 10 HA LYS 10 14.098 -5.772 -0.691 86 1HB LYS 10 HB2 LYS 10 16.181 -4.887 -1.915 87 2HB LYS 10 HB1 LYS 10 14.711 -5.059 -2.868 88 1HG LYS 10 HG2 LYS 10 14.247 -2.710 -2.747 89 2HG LYS 10 HG1 LYS 10 15.458 -2.465 -1.494 90 1HD LYS 10 HD2 LYS 10 17.250 -3.024 -3.071 91 2HD LYS 10 HD1 LYS 10 16.067 -3.394 -4.321 92 1HE LYS 10 HE2 LYS 10 15.216 -0.995 -4.026 93 2HE LYS 10 HE1 LYS 10 16.666 -0.700 -3.075 94 1HZ LYS 10 HZ2 LYS 10 16.687 -1.746 -5.847 95 2HZ LYS 10 HZ1 LYS 10 16.879 -0.108 -5.444 96 3HZ LYS 10 HZ3 LYS 10 18.026 -1.250 -4.929 97 H THR 11 HN THR 11 14.519 -2.476 0.327 98 HA THR 11 HA THR 11 16.676 -3.299 2.209 99 HB THR 11 HB THR 11 16.623 -0.626 2.510 100 HG1 THR 11 HG1 THR 11 15.766 0.287 0.679 101 1HG2 THR 11 HG23 THR 11 17.642 -1.982 -0.018 102 2HG2 THR 11 HG22 THR 11 18.179 -0.418 0.590 103 3HG2 THR 11 HG21 THR 11 18.540 -1.887 1.493 104 H LEU 12 HN LEU 12 13.372 -2.955 2.105 105 HA LEU 12 HA LEU 12 13.185 -3.021 5.023 106 1HB LEU 12 HB2 LEU 12 13.437 -0.557 4.435 107 2HB LEU 12 HB1 LEU 12 11.870 -0.678 3.642 108 HG LEU 12 HG LEU 12 11.301 -1.859 6.033 109 1HD1 LEU 12 HD12 LEU 12 13.626 -1.337 6.834 110 2HD1 LEU 12 HD11 LEU 12 13.269 0.376 6.635 111 3HD1 LEU 12 HD13 LEU 12 12.376 -0.579 7.814 112 1HD2 LEU 12 HD23 LEU 12 11.217 1.051 5.196 113 2HD2 LEU 12 HD22 LEU 12 9.914 -0.131 5.124 114 3HD2 LEU 12 HD21 LEU 12 10.462 0.481 6.682 115 H LYS 13 HN LYS 13 11.444 -4.179 5.600 116 HA LYS 13 HA LYS 13 9.208 -4.458 3.623 117 1HB LYS 13 HB2 LYS 13 10.098 -6.657 5.489 118 2HB LYS 13 HB1 LYS 13 9.054 -6.785 4.080 119 1HG LYS 13 HG2 LYS 13 11.003 -7.477 3.075 120 2HG LYS 13 HG1 LYS 13 11.244 -5.745 2.891 121 1HD LYS 13 HD2 LYS 13 13.261 -6.342 3.888 122 2HD LYS 13 HD1 LYS 13 12.311 -5.960 5.317 123 1HE LYS 13 HE2 LYS 13 11.702 -8.366 5.529 124 2HE LYS 13 HE1 LYS 13 12.704 -8.727 4.130 125 1HZ LYS 13 HZ1 LYS 13 13.793 -7.354 6.508 126 2HZ LYS 13 HZ3 LYS 13 13.727 -9.048 6.405 127 3HZ LYS 13 HZ2 LYS 13 14.636 -8.164 5.275 128 H GLY 14 HN GLY 14 7.146 -4.395 4.447 129 1HA GLY 14 HA2 GLY 14 6.589 -4.679 7.281 130 2HA GLY 14 HA1 GLY 14 6.571 -2.990 6.781 131 H GLU 15 HN GLU 15 4.299 -3.071 7.411 132 HA GLU 15 HA GLU 15 2.537 -3.372 5.178 133 1HB GLU 15 HB2 GLU 15 1.156 -5.249 5.993 134 2HB GLU 15 HB1 GLU 15 2.798 -5.784 5.667 135 1HG GLU 15 HG2 GLU 15 3.148 -5.124 8.230 136 2HG GLU 15 HG1 GLU 15 1.412 -5.411 8.297 137 H THR 16 HN THR 16 0.817 -2.070 5.539 138 HA THR 16 HA THR 16 -0.110 -1.639 8.322 139 HB THR 16 HB THR 16 1.518 0.159 8.136 140 HG1 THR 16 HG1 THR 16 -1.025 1.159 7.357 141 1HG2 THR 16 HG23 THR 16 0.966 0.044 5.376 142 2HG2 THR 16 HG22 THR 16 0.264 1.569 5.902 143 3HG2 THR 16 HG21 THR 16 1.972 1.247 6.175 144 H THR 17 HN THR 17 -2.205 -0.665 8.451 145 HA THR 17 HA THR 17 -3.764 -0.990 5.921 146 HB THR 17 HB THR 17 -5.617 -1.697 7.234 147 HG1 THR 17 HG1 THR 17 -5.642 -1.088 9.458 148 1HG2 THR 17 HG23 THR 17 -3.204 -2.970 7.785 149 2HG2 THR 17 HG22 THR 17 -3.768 -2.511 9.385 150 3HG2 THR 17 HG21 THR 17 -4.774 -3.521 8.350 151 H THR 18 HN THR 18 -4.961 0.681 5.138 152 HA THR 18 HA THR 18 -5.112 3.173 6.797 153 HB THR 18 HB THR 18 -3.359 3.155 4.829 154 HG1 THR 18 HG1 THR 18 -3.655 5.232 5.155 155 1HG2 THR 18 HG21 THR 18 -5.363 2.343 3.251 156 2HG2 THR 18 HG23 THR 18 -5.770 4.055 3.270 157 3HG2 THR 18 HG22 THR 18 -4.202 3.529 2.665 158 H GLU 19 HN GLU 19 -6.937 4.466 6.484 159 HA GLU 19 HA GLU 19 -9.293 3.015 5.488 160 1HB GLU 19 HB2 GLU 19 -8.826 5.547 7.031 161 2HB GLU 19 HB1 GLU 19 -10.380 5.301 6.243 162 1HG GLU 19 HG2 GLU 19 -10.471 4.450 8.548 163 2HG GLU 19 HG1 GLU 19 -10.598 3.106 7.417 164 H ALA 20 HN ALA 20 -10.055 3.223 3.478 165 HA ALA 20 HA ALA 20 -9.670 5.807 2.047 166 1HB ALA 20 HB1 ALA 20 -8.362 3.299 1.412 167 2HB ALA 20 HB3 ALA 20 -9.380 3.831 0.076 168 3HB ALA 20 HB2 ALA 20 -8.117 4.889 0.698 169 H VAL 21 HN VAL 21 -11.359 6.367 0.731 170 HA VAL 21 HA VAL 21 -13.843 4.887 1.085 171 HB VAL 21 HB VAL 21 -13.916 7.315 0.990 172 1HG1 VAL 21 HG12 VAL 21 -12.810 6.982 -1.819 173 2HG1 VAL 21 HG11 VAL 21 -13.303 8.506 -1.090 174 3HG1 VAL 21 HG13 VAL 21 -11.921 7.628 -0.445 175 1HG2 VAL 21 HG21 VAL 21 -15.733 5.799 -0.127 176 2HG2 VAL 21 HG23 VAL 21 -15.766 7.528 -0.456 177 3HG2 VAL 21 HG22 VAL 21 -15.084 6.419 -1.642 178 H ASP 22 HN ASP 22 -11.453 5.233 -1.447 179 HA ASP 22 HA ASP 22 -12.787 3.021 -2.911 180 1HB ASP 22 HB2 ASP 22 -12.622 4.192 -5.051 181 2HB ASP 22 HB1 ASP 22 -13.585 5.148 -3.928 182 H ALA 23 HN ALA 23 -11.298 2.392 -4.851 183 HA ALA 23 HA ALA 23 -8.739 1.677 -3.716 184 1HB ALA 23 HB1 ALA 23 -10.162 1.217 -6.287 185 2HB ALA 23 HB3 ALA 23 -8.411 1.036 -6.301 186 3HB ALA 23 HB2 ALA 23 -9.388 0.059 -5.210 187 H ALA 24 HN ALA 24 -9.836 4.250 -5.792 188 HA ALA 24 HA ALA 24 -7.313 4.978 -6.930 189 1HB ALA 24 HB2 ALA 24 -9.694 5.817 -7.526 190 2HB ALA 24 HB1 ALA 24 -9.448 6.984 -6.231 191 3HB ALA 24 HB3 ALA 24 -8.367 6.970 -7.620 192 H THR 25 HN THR 25 -9.042 6.691 -4.331 193 HA THR 25 HA THR 25 -6.819 8.209 -3.467 194 HB THR 25 HB THR 25 -8.926 8.908 -2.584 195 HG1 THR 25 HG1 THR 25 -7.783 9.174 -0.817 196 1HG2 THR 25 HG23 THR 25 -9.344 6.022 -2.305 197 2HG2 THR 25 HG22 THR 25 -9.732 6.876 -0.817 198 3HG2 THR 25 HG21 THR 25 -10.545 7.309 -2.318 199 H ALA 26 HN ALA 26 -7.569 4.872 -2.980 200 HA ALA 26 HA ALA 26 -5.939 4.483 -0.622 201 1HB ALA 26 HB2 ALA 26 -7.694 2.869 -1.430 202 2HB ALA 26 HB1 ALA 26 -6.617 2.440 -2.755 203 3HB ALA 26 HB3 ALA 26 -6.141 2.112 -1.092 204 H GLU 27 HN GLU 27 -5.359 4.227 -4.098 205 HA GLU 27 HA GLU 27 -2.694 3.233 -3.969 206 1HB GLU 27 HB2 GLU 27 -4.138 4.940 -6.004 207 2HB GLU 27 HB1 GLU 27 -2.492 4.379 -6.246 208 1HG GLU 27 HG2 GLU 27 -3.339 2.017 -5.850 209 2HG GLU 27 HG1 GLU 27 -4.970 2.677 -5.889 210 H LYS 28 HN LYS 28 -4.036 6.441 -3.644 211 HA LYS 28 HA LYS 28 -1.391 7.729 -3.690 212 1HB LYS 28 HB2 LYS 28 -2.926 9.209 -4.569 213 2HB LYS 28 HB1 LYS 28 -4.236 8.609 -3.563 214 1HG LYS 28 HG2 LYS 28 -3.479 9.850 -1.660 215 2HG LYS 28 HG1 LYS 28 -1.916 10.181 -2.406 216 1HD LYS 28 HD2 LYS 28 -2.786 11.820 -3.803 217 2HD LYS 28 HD1 LYS 28 -4.385 11.086 -3.841 218 1HE LYS 28 HE2 LYS 28 -4.795 11.801 -1.526 219 2HE LYS 28 HE1 LYS 28 -3.174 12.477 -1.427 220 1HZ LYS 28 HZ1 LYS 28 -4.896 13.384 -3.605 221 2HZ LYS 28 HZ3 LYS 28 -5.245 13.941 -2.038 222 3HZ LYS 28 HZ2 LYS 28 -3.719 14.234 -2.723 223 H VAL 29 HN VAL 29 -3.921 7.044 -1.322 224 HA VAL 29 HA VAL 29 -2.776 8.310 0.922 225 HB VAL 29 HB VAL 29 -4.430 5.781 0.747 226 1HG1 VAL 29 HG12 VAL 29 -3.527 7.452 3.107 227 2HG1 VAL 29 HG11 VAL 29 -4.947 6.413 3.183 228 3HG1 VAL 29 HG13 VAL 29 -3.359 5.714 2.888 229 1HG2 VAL 29 HG21 VAL 29 -5.097 8.384 0.144 230 2HG2 VAL 29 HG23 VAL 29 -6.245 7.168 0.693 231 3HG2 VAL 29 HG22 VAL 29 -5.534 8.291 1.847 232 H PHE 30 HN PHE 30 -2.400 4.917 -0.106 233 HA PHE 30 HA PHE 30 -0.465 4.297 1.923 234 1HB PHE 30 HB2 PHE 30 -1.362 3.000 -0.622 235 2HB PHE 30 HB1 PHE 30 0.120 2.427 0.134 236 HD1 PHE 30 HD1 PHE 30 -0.151 2.205 2.862 237 HD2 PHE 30 HD2 PHE 30 -3.305 1.869 0.011 238 HE1 PHE 30 HE1 PHE 30 -1.492 0.931 4.483 239 HE2 PHE 30 HE2 PHE 30 -4.617 0.592 1.635 240 HZ PHE 30 HZ PHE 30 -3.710 0.082 3.851 241 H LYS 31 HN LYS 31 -0.117 5.264 -1.486 242 HA LYS 31 HA LYS 31 2.704 5.061 -1.644 243 1HB LYS 31 HB2 LYS 31 1.127 5.584 -3.548 244 2HB LYS 31 HB1 LYS 31 1.040 7.234 -2.941 245 1HG LYS 31 HG2 LYS 31 3.753 6.838 -2.998 246 2HG LYS 31 HG1 LYS 31 3.243 5.855 -4.364 247 1HD LYS 31 HD2 LYS 31 1.864 7.864 -5.133 248 2HD LYS 31 HD1 LYS 31 2.712 8.803 -3.911 249 1HE LYS 31 HE2 LYS 31 3.840 8.994 -6.102 250 2HE LYS 31 HE1 LYS 31 4.878 8.186 -4.933 251 1HZ LYS 31 HZ1 LYS 31 3.160 6.770 -6.890 252 2HZ LYS 31 HZ3 LYS 31 4.810 7.097 -7.125 253 3HZ LYS 31 HZ2 LYS 31 4.317 6.079 -5.858 254 H GLN 32 HN GLN 32 0.651 7.579 -0.312 255 HA GLN 32 HA GLN 32 2.706 9.517 0.150 256 1HB GLN 32 HB2 GLN 32 0.177 9.852 0.320 257 2HB GLN 32 HB1 GLN 32 0.280 9.088 1.902 258 1HG GLN 32 HG2 GLN 32 2.255 10.866 2.222 259 2HG GLN 32 HG1 GLN 32 1.331 11.743 1.007 260 1HE2 GLN 32 HE22 GLN 32 -1.473 12.299 3.157 261 2HE2 GLN 32 HE21 GLN 32 -0.999 12.178 1.532 262 OH TYR 33 OH TYR 33 4.785 2.757 8.351 263 H TYR 33 HN TYR 33 1.646 6.677 1.878 264 HA TYR 33 HA TYR 33 3.205 7.235 4.274 265 1HB TYR 33 HB2 TYR 33 1.215 5.807 4.402 266 2HB TYR 33 HB1 TYR 33 1.942 4.671 3.269 267 HD1 TYR 33 HD1 TYR 33 3.998 3.401 3.942 268 HD2 TYR 33 HD2 TYR 33 1.865 5.809 6.724 269 HE1 TYR 33 HE1 TYR 33 5.134 2.267 5.793 270 HE2 TYR 33 HE2 TYR 33 3.003 4.674 8.576 271 HH TYR 33 HH TYR 33 4.117 2.325 8.890 272 H ALA 34 HN ALA 34 3.484 4.735 1.766 273 HA ALA 34 HA ALA 34 5.996 3.713 2.445 274 1HB ALA 34 HB3 ALA 34 4.598 4.061 -0.194 275 2HB ALA 34 HB2 ALA 34 6.220 3.380 -0.133 276 3HB ALA 34 HB1 ALA 34 4.896 2.580 0.709 277 H ASN 35 HN ASN 35 5.210 6.743 0.930 278 HA ASN 35 HA ASN 35 7.806 7.355 -0.125 279 1HB ASN 35 HB2 ASN 35 5.733 8.589 -0.735 280 2HB ASN 35 HB1 ASN 35 5.692 9.276 0.886 281 1HD2 ASN 35 HD22 ASN 35 7.611 11.947 -0.390 282 2HD2 ASN 35 HD21 ASN 35 6.150 11.459 0.324 283 H ASP 36 HN ASP 36 6.239 8.372 2.907 284 HA ASP 36 HA ASP 36 8.397 9.788 4.022 285 1HB ASP 36 HB2 ASP 36 6.127 8.222 5.195 286 2HB ASP 36 HB1 ASP 36 7.388 8.833 6.264 287 H ASN 37 HN ASN 37 8.216 6.505 3.256 288 HA ASN 37 HA ASN 37 10.432 5.817 5.142 289 1HB ASN 37 HB2 ASN 37 8.433 4.114 3.648 290 2HB ASN 37 HB1 ASN 37 9.845 3.433 4.452 291 1HD2 ASN 37 HD22 ASN 37 6.942 5.185 6.791 292 2HD2 ASN 37 HD21 ASN 37 7.173 5.744 5.204 293 H GLY 38 HN GLY 38 9.507 5.989 1.778 294 1HA GLY 38 HA2 GLY 38 11.128 6.372 0.020 295 2HA GLY 38 HA1 GLY 38 12.365 5.645 1.042 296 H VAL 39 HN VAL 39 9.180 4.609 -0.181 297 HA VAL 39 HA VAL 39 10.503 2.260 -1.448 298 HB VAL 39 HB VAL 39 8.126 2.130 0.429 299 1HG1 VAL 39 HG11 VAL 39 9.252 0.246 -1.608 300 2HG1 VAL 39 HG13 VAL 39 8.682 -0.437 -0.090 301 3HG1 VAL 39 HG12 VAL 39 7.580 0.481 -1.110 302 1HG2 VAL 39 HG23 VAL 39 10.914 0.925 0.570 303 2HG2 VAL 39 HG22 VAL 39 10.333 2.269 1.548 304 3HG2 VAL 39 HG21 VAL 39 9.630 0.667 1.748 305 H ASP 40 HN ASP 40 10.053 3.562 -3.369 306 HA ASP 40 HA ASP 40 7.210 3.250 -4.261 307 1HB ASP 40 HB2 ASP 40 9.077 5.581 -4.758 308 2HB ASP 40 HB1 ASP 40 7.542 5.356 -5.594 309 H GLY 41 HN GLY 41 6.977 2.161 -6.111 310 1HA GLY 41 HA2 GLY 41 8.712 2.321 -8.364 311 2HA GLY 41 HA1 GLY 41 9.168 0.903 -7.423 312 H GLU 42 HN GLU 42 7.687 -0.813 -7.217 313 HA GLU 42 HA GLU 42 5.607 -0.853 -9.356 314 1HB GLU 42 HB2 GLU 42 7.127 -2.990 -7.890 315 2HB GLU 42 HB1 GLU 42 5.688 -3.373 -8.823 316 1HG GLU 42 HG2 GLU 42 7.799 -3.625 -10.156 317 2HG GLU 42 HG1 GLU 42 6.702 -2.430 -10.844 318 CH2 TRP 43 CH2 TRP 43 2.138 2.491 -2.160 319 H TRP 43 HN TRP 43 3.509 -0.864 -8.819 320 HA TRP 43 HA TRP 43 2.799 -1.412 -5.957 321 1HB TRP 43 HB2 TRP 43 1.845 0.676 -7.887 322 2HB TRP 43 HB1 TRP 43 0.836 0.187 -6.536 323 HD1 TRP 43 HD1 TRP 43 4.455 1.377 -7.209 324 HE1 TRP 43 HE1 TRP 43 5.148 2.728 -5.172 325 HE3 TRP 43 HE3 TRP 43 0.422 0.652 -4.384 326 HZ2 TRP 43 HZ2 TRP 43 4.065 3.346 -2.482 327 HZ3 TRP 43 HZ3 TRP 43 0.235 1.529 -2.112 328 HH2 TRP 43 HH2 TRP 43 2.053 2.872 -1.153 329 H THR 44 HN THR 44 1.248 -2.853 -5.565 330 HA THR 44 HA THR 44 -0.348 -3.878 -7.885 331 HB THR 44 HB THR 44 -0.272 -6.112 -6.502 332 HG1 THR 44 HG1 THR 44 0.660 -4.876 -4.717 333 1HG2 THR 44 HG21 THR 44 1.082 -5.608 -8.645 334 2HG2 THR 44 HG23 THR 44 2.390 -5.120 -7.572 335 3HG2 THR 44 HG22 THR 44 1.800 -6.779 -7.542 336 OH TYR 45 OH TYR 45 -8.825 -1.291 -3.149 337 H TYR 45 HN TYR 45 -2.339 -5.051 -7.161 338 HA TYR 45 HA TYR 45 -3.505 -3.976 -4.637 339 1HB TYR 45 HB2 TYR 45 -4.006 -2.538 -6.739 340 2HB TYR 45 HB1 TYR 45 -5.025 -3.884 -7.255 341 HD1 TYR 45 HD1 TYR 45 -6.546 -4.742 -4.941 342 HD2 TYR 45 HD2 TYR 45 -5.274 -0.805 -5.895 343 HE1 TYR 45 HE1 TYR 45 -8.310 -3.835 -3.529 344 HE2 TYR 45 HE2 TYR 45 -7.081 0.105 -4.527 345 HH TYR 45 HH TYR 45 -9.595 -1.166 -3.708 346 H ASP 46 HN ASP 46 -4.526 -5.572 -3.569 347 HA ASP 46 HA ASP 46 -5.232 -8.057 -5.077 348 1HB ASP 46 HB2 ASP 46 -3.598 -8.055 -3.053 349 2HB ASP 46 HB1 ASP 46 -5.053 -7.868 -2.077 350 H ASP 47 HN ASP 47 -7.194 -6.740 -5.734 351 HA ASP 47 HA ASP 47 -9.194 -5.990 -3.840 352 1HB ASP 47 HB2 ASP 47 -9.267 -5.230 -6.168 353 2HB ASP 47 HB1 ASP 47 -9.510 -6.885 -6.717 354 H ALA 48 HN ALA 48 -7.962 -8.977 -4.342 355 HA ALA 48 HA ALA 48 -10.420 -10.547 -4.274 356 1HB ALA 48 HB3 ALA 48 -7.814 -11.106 -4.923 357 2HB ALA 48 HB2 ALA 48 -7.947 -11.835 -3.326 358 3HB ALA 48 HB1 ALA 48 -9.045 -12.326 -4.611 359 H THR 49 HN THR 49 -8.170 -9.233 -1.948 360 HA THR 49 HA THR 49 -10.001 -10.114 0.234 361 HB THR 49 HB THR 49 -7.960 -10.682 1.638 362 HG1 THR 49 HG1 THR 49 -6.917 -9.776 -0.780 363 1HG2 THR 49 HG22 THR 49 -9.146 -12.278 -0.324 364 2HG2 THR 49 HG21 THR 49 -7.436 -12.340 -0.737 365 3HG2 THR 49 HG23 THR 49 -7.974 -12.842 0.862 366 H LYS 50 HN LYS 50 -9.227 -7.559 -1.245 367 HA LYS 50 HA LYS 50 -8.832 -5.311 -0.692 368 1HB LYS 50 HB2 LYS 50 -9.841 -6.291 1.991 369 2HB LYS 50 HB1 LYS 50 -9.731 -4.604 1.501 370 1HG LYS 50 HG2 LYS 50 -11.259 -5.095 -0.412 371 2HG LYS 50 HG1 LYS 50 -11.416 -6.749 0.167 372 1HD LYS 50 HD2 LYS 50 -12.491 -6.050 2.182 373 2HD LYS 50 HD1 LYS 50 -12.025 -4.371 1.937 374 1HE LYS 50 HE2 LYS 50 -13.737 -3.974 0.476 375 2HE LYS 50 HE1 LYS 50 -13.598 -5.560 -0.271 376 1HZ LYS 50 HZ1 LYS 50 -14.505 -6.275 2.090 377 2HZ LYS 50 HZ3 LYS 50 -15.179 -4.718 2.024 378 3HZ LYS 50 HZ2 LYS 50 -15.537 -5.850 0.809 379 H THR 51 HN THR 51 -6.528 -6.442 -0.851 380 HA THR 51 HA THR 51 -5.013 -5.481 1.536 381 HB THR 51 HB THR 51 -4.891 -8.211 0.239 382 HG1 THR 51 HG1 THR 51 -5.701 -8.488 2.168 383 1HG2 THR 51 HG22 THR 51 -2.692 -6.853 1.843 384 2HG2 THR 51 HG21 THR 51 -2.764 -8.572 1.504 385 3HG2 THR 51 HG23 THR 51 -2.535 -7.426 0.190 386 H PHE 52 HN PHE 52 -3.706 -3.871 0.812 387 HA PHE 52 HA PHE 52 -3.006 -3.692 -2.015 388 1HB PHE 52 HB2 PHE 52 -2.989 -1.950 0.285 389 2HB PHE 52 HB1 PHE 52 -1.464 -1.857 -0.584 390 HD1 PHE 52 HD1 PHE 52 -1.441 -1.208 -3.004 391 HD2 PHE 52 HD2 PHE 52 -5.030 -1.228 -0.751 392 HE1 PHE 52 HE1 PHE 52 -2.572 0.089 -4.765 393 HE2 PHE 52 HE2 PHE 52 -6.110 0.181 -2.417 394 HZ PHE 52 HZ PHE 52 -4.870 0.881 -4.411 395 H THR 53 HN THR 53 -0.706 -3.436 -2.676 396 HA THR 53 HA THR 53 1.328 -4.548 -0.890 397 HB THR 53 HB THR 53 0.459 -6.099 -3.358 398 HG1 THR 53 HG1 THR 53 -0.851 -6.576 -1.675 399 1HG2 THR 53 HG21 THR 53 2.863 -6.189 -1.571 400 2HG2 THR 53 HG23 THR 53 2.118 -7.730 -1.986 401 3HG2 THR 53 HG22 THR 53 2.724 -6.673 -3.259 402 H VAL 54 HN VAL 54 3.312 -3.820 -1.442 403 HA VAL 54 HA VAL 54 3.719 -2.764 -4.202 404 HB VAL 54 HB VAL 54 3.040 -0.898 -2.633 405 1HG1 VAL 54 HG12 VAL 54 4.256 -2.003 -0.681 406 2HG1 VAL 54 HG11 VAL 54 5.747 -1.376 -1.375 407 3HG1 VAL 54 HG13 VAL 54 4.485 -0.268 -0.846 408 1HG2 VAL 54 HG21 VAL 54 5.823 -0.907 -3.835 409 2HG2 VAL 54 HG23 VAL 54 4.347 -0.295 -4.560 410 3HG2 VAL 54 HG22 VAL 54 5.063 0.540 -3.191 411 H THR 55 HN THR 55 5.893 -2.776 -4.857 412 HA THR 55 HA THR 55 7.876 -3.948 -2.969 413 HB THR 55 HB THR 55 7.278 -5.146 -5.710 414 HG1 THR 55 HG1 THR 55 7.062 -6.684 -3.499 415 1HG2 THR 55 HG23 THR 55 9.444 -5.487 -3.694 416 2HG2 THR 55 HG22 THR 55 8.691 -6.978 -4.253 417 3HG2 THR 55 HG21 THR 55 9.448 -5.886 -5.405 418 H GLU 56 HN GLU 56 9.566 -2.561 -3.058 419 HA GLU 56 HA GLU 56 9.999 -0.657 -5.131 420 1HB GLU 56 HB2 GLU 56 11.150 -1.204 -2.660 421 2HB GLU 56 HB1 GLU 56 12.466 -1.464 -3.794 422 1HG GLU 56 HG2 GLU 56 11.837 0.774 -4.843 423 2HG GLU 56 HG1 GLU 56 10.768 1.028 -3.467 Start of MODEL 35 Raw file had 423 H/Q atoms Entry Start of MODEL 35 1 1H MET 1 HT1 MET 1 -14.057 1.415 5.062 2 2H MET 1 HT3 MET 1 -14.302 1.914 3.458 3 3H MET 1 HT2 MET 1 -15.363 0.795 4.170 4 HA MET 1 HA MET 1 -13.800 -0.912 4.149 5 1HB MET 1 HB2 MET 1 -12.771 -0.643 1.727 6 2HB MET 1 HB1 MET 1 -14.503 -0.869 1.939 7 1HG MET 1 HG2 MET 1 -13.309 1.884 1.951 8 2HG MET 1 HG1 MET 1 -13.614 1.080 0.435 9 1HE MET 1 HE2 MET 1 -16.026 -0.011 -0.082 10 2HE MET 1 HE1 MET 1 -17.166 1.315 -0.308 11 3HE MET 1 HE3 MET 1 -15.511 1.465 -0.899 12 H THR 2 HN THR 2 -11.764 -1.567 4.572 13 HA THR 2 HA THR 2 -9.561 0.448 4.374 14 HB THR 2 HB THR 2 -9.780 -1.468 6.716 15 HG1 THR 2 HG1 THR 2 -10.477 1.044 7.276 16 1HG2 THR 2 HG23 THR 2 -7.674 0.015 6.076 17 2HG2 THR 2 HG22 THR 2 -8.667 1.333 6.690 18 3HG2 THR 2 HG21 THR 2 -8.234 -0.009 7.744 19 OH TYR 3 OH TYR 3 -11.560 0.130 -1.125 20 H TYR 3 HN TYR 3 -7.889 -0.327 3.244 21 HA TYR 3 HA TYR 3 -7.727 -3.278 2.828 22 1HB TYR 3 HB2 TYR 3 -6.108 -1.232 1.330 23 2HB TYR 3 HB1 TYR 3 -6.568 -2.852 0.822 24 HD1 TYR 3 HD1 TYR 3 -7.985 0.507 1.628 25 HD2 TYR 3 HD2 TYR 3 -8.578 -3.192 -0.382 26 HE1 TYR 3 HE1 TYR 3 -9.997 1.411 0.557 27 HE2 TYR 3 HE2 TYR 3 -10.589 -2.289 -1.454 28 HH TYR 3 HH TYR 3 -12.079 0.580 -0.453 29 H LYS 4 HN LYS 4 -5.580 -4.260 2.809 30 HA LYS 4 HA LYS 4 -3.844 -3.072 4.936 31 1HB LYS 4 HB2 LYS 4 -5.030 -5.472 4.986 32 2HB LYS 4 HB1 LYS 4 -3.591 -5.922 4.085 33 1HG LYS 4 HG2 LYS 4 -2.370 -4.531 6.004 34 2HG LYS 4 HG1 LYS 4 -3.824 -4.943 6.905 35 1HD LYS 4 HD2 LYS 4 -3.473 -7.339 6.343 36 2HD LYS 4 HD1 LYS 4 -1.994 -6.910 5.492 37 1HE LYS 4 HE2 LYS 4 -1.312 -7.595 7.684 38 2HE LYS 4 HE1 LYS 4 -1.202 -5.840 7.673 39 1HZ LYS 4 HZ2 LYS 4 -3.699 -6.146 8.490 40 2HZ LYS 4 HZ1 LYS 4 -3.029 -7.576 9.113 41 3HZ LYS 4 HZ3 LYS 4 -2.378 -6.071 9.554 42 H LEU 5 HN LEU 5 -1.926 -2.302 4.277 43 HA LEU 5 HA LEU 5 -0.983 -2.938 1.561 44 1HB LEU 5 HB2 LEU 5 -0.860 -0.616 2.186 45 2HB LEU 5 HB1 LEU 5 -0.062 -0.992 3.701 46 HG LEU 5 HG LEU 5 1.938 -1.825 2.345 47 1HD1 LEU 5 HD13 LEU 5 0.357 -0.547 0.091 48 2HD1 LEU 5 HD12 LEU 5 2.036 -1.058 -0.021 49 3HD1 LEU 5 HD11 LEU 5 0.770 -2.253 0.214 50 1HD2 LEU 5 HD21 LEU 5 1.699 0.500 3.331 51 2HD2 LEU 5 HD23 LEU 5 2.798 0.374 1.960 52 3HD2 LEU 5 HD22 LEU 5 1.183 1.031 1.736 53 H ILE 6 HN ILE 6 1.078 -3.793 1.111 54 HA ILE 6 HA ILE 6 2.515 -5.080 3.350 55 HB ILE 6 HB ILE 6 2.048 -6.360 0.648 56 1HG1 ILE 6 HG12 ILE 6 0.670 -6.718 3.324 57 2HG1 ILE 6 HG11 ILE 6 -0.075 -6.335 1.777 58 1HG2 ILE 6 HG22 ILE 6 4.142 -6.931 2.055 59 2HG2 ILE 6 HG21 ILE 6 3.024 -7.649 3.208 60 3HG2 ILE 6 HG23 ILE 6 3.128 -8.280 1.568 61 1HD1 ILE 6 HD2 ILE 6 0.885 -8.592 0.958 62 2HD1 ILE 6 HD1 ILE 6 1.155 -8.956 2.660 63 3HD1 ILE 6 HD3 ILE 6 -0.473 -8.663 2.071 64 H LEU 7 HN LEU 7 4.306 -3.845 3.413 65 HA LEU 7 HA LEU 7 5.501 -2.761 0.984 66 1HB LEU 7 HB2 LEU 7 6.252 -2.684 3.896 67 2HB LEU 7 HB1 LEU 7 7.303 -2.018 2.653 68 HG LEU 7 HG LEU 7 4.474 -1.207 2.402 69 1HD1 LEU 7 HD12 LEU 7 6.154 -0.285 4.760 70 2HD1 LEU 7 HD11 LEU 7 4.614 0.417 4.272 71 3HD1 LEU 7 HD13 LEU 7 4.678 -1.239 4.865 72 1HD2 LEU 7 HD21 LEU 7 6.391 -0.289 1.076 73 2HD2 LEU 7 HD23 LEU 7 5.532 0.961 1.971 74 3HD2 LEU 7 HD22 LEU 7 7.074 0.356 2.566 75 H ASN 8 HN ASN 8 6.664 -3.980 -0.341 76 HA ASN 8 HA ASN 8 8.321 -6.169 0.825 77 1HB ASN 8 HB2 ASN 8 6.693 -5.880 -1.574 78 2HB ASN 8 HB1 ASN 8 8.311 -6.426 -1.961 79 1HD2 ASN 8 HD22 ASN 8 5.811 -9.131 -0.752 80 2HD2 ASN 8 HD21 ASN 8 5.461 -7.723 -1.620 81 H GLY 9 HN GLY 9 9.179 -3.521 1.077 82 1HA GLY 9 HA2 GLY 9 10.876 -2.582 -0.986 83 2HA GLY 9 HA1 GLY 9 11.091 -2.207 0.716 84 H LYS 10 HN LYS 10 13.003 -2.918 -1.481 85 HA LYS 10 HA LYS 10 14.075 -5.538 -0.879 86 1HB LYS 10 HB2 LYS 10 14.909 -3.179 -2.486 87 2HB LYS 10 HB1 LYS 10 16.191 -4.268 -1.967 88 1HG LYS 10 HG2 LYS 10 13.672 -5.388 -3.184 89 2HG LYS 10 HG1 LYS 10 14.939 -4.753 -4.225 90 1HD LYS 10 HD2 LYS 10 15.820 -6.580 -2.045 91 2HD LYS 10 HD1 LYS 10 14.914 -7.317 -3.361 92 1HE LYS 10 HE2 LYS 10 16.502 -6.670 -4.980 93 2HE LYS 10 HE1 LYS 10 17.186 -5.423 -3.945 94 1HZ LYS 10 HZ3 LYS 10 17.669 -7.544 -2.461 95 2HZ LYS 10 HZ2 LYS 10 17.693 -8.286 -3.988 96 3HZ LYS 10 HZ1 LYS 10 18.747 -6.996 -3.654 97 H THR 11 HN THR 11 14.627 -2.291 0.288 98 HA THR 11 HA THR 11 16.778 -3.266 2.091 99 HB THR 11 HB THR 11 16.728 -0.627 2.603 100 HG1 THR 11 HG1 THR 11 15.928 -0.635 -0.065 101 1HG2 THR 11 HG22 THR 11 17.811 -2.079 0.183 102 2HG2 THR 11 HG21 THR 11 18.012 -0.335 0.326 103 3HG2 THR 11 HG23 THR 11 18.710 -1.404 1.539 104 H LEU 12 HN LEU 12 13.479 -2.951 2.084 105 HA LEU 12 HA LEU 12 13.350 -3.215 4.994 106 1HB LEU 12 HB2 LEU 12 13.519 -0.684 4.434 107 2HB LEU 12 HB1 LEU 12 11.863 -0.854 3.867 108 HG LEU 12 HG LEU 12 11.663 -2.136 6.252 109 1HD1 LEU 12 HD11 LEU 12 14.049 -1.646 6.786 110 2HD1 LEU 12 HD13 LEU 12 13.707 0.077 6.654 111 3HD1 LEU 12 HD12 LEU 12 12.951 -0.877 7.928 112 1HD2 LEU 12 HD22 LEU 12 11.506 0.863 5.779 113 2HD2 LEU 12 HD21 LEU 12 10.217 -0.299 5.477 114 3HD2 LEU 12 HD23 LEU 12 10.751 0.014 7.126 115 H LYS 13 HN LYS 13 11.271 -3.846 5.735 116 HA LYS 13 HA LYS 13 9.175 -4.258 3.674 117 1HB LYS 13 HB2 LYS 13 10.351 -6.476 5.372 118 2HB LYS 13 HB1 LYS 13 8.916 -6.637 4.368 119 1HG LYS 13 HG2 LYS 13 10.381 -5.830 2.414 120 2HG LYS 13 HG1 LYS 13 11.759 -6.105 3.475 121 1HD LYS 13 HD2 LYS 13 11.020 -8.462 3.791 122 2HD LYS 13 HD1 LYS 13 9.684 -8.177 2.680 123 1HE LYS 13 HE2 LYS 13 11.626 -7.326 1.081 124 2HE LYS 13 HE1 LYS 13 12.623 -8.352 2.104 125 1HZ LYS 13 HZ2 LYS 13 10.155 -9.561 1.223 126 2HZ LYS 13 HZ1 LYS 13 11.251 -9.207 -0.025 127 3HZ LYS 13 HZ3 LYS 13 11.728 -10.199 1.268 128 H GLY 14 HN GLY 14 7.116 -4.148 4.510 129 1HA GLY 14 HA2 GLY 14 6.593 -4.520 7.352 130 2HA GLY 14 HA1 GLY 14 6.563 -2.824 6.880 131 H GLU 15 HN GLU 15 4.307 -2.861 7.509 132 HA GLU 15 HA GLU 15 2.528 -3.187 5.293 133 1HB GLU 15 HB2 GLU 15 1.112 -5.016 6.388 134 2HB GLU 15 HB1 GLU 15 2.617 -5.542 5.642 135 1HG GLU 15 HG2 GLU 15 3.508 -6.169 7.638 136 2HG GLU 15 HG1 GLU 15 2.955 -4.700 8.438 137 H THR 16 HN THR 16 0.692 -2.020 5.652 138 HA THR 16 HA THR 16 -0.217 -1.501 8.411 139 HB THR 16 HB THR 16 1.589 0.252 7.909 140 HG1 THR 16 HG1 THR 16 -1.132 1.049 8.199 141 1HG2 THR 16 HG22 THR 16 0.358 0.486 5.458 142 2HG2 THR 16 HG21 THR 16 -0.436 1.768 6.364 143 3HG2 THR 16 HG23 THR 16 1.316 1.766 6.191 144 H THR 17 HN THR 17 -2.320 -0.500 8.480 145 HA THR 17 HA THR 17 -3.831 -0.916 5.932 146 HB THR 17 HB THR 17 -5.708 -1.559 7.250 147 HG1 THR 17 HG1 THR 17 -5.194 -0.978 9.675 148 1HG2 THR 17 HG23 THR 17 -3.331 -2.849 7.803 149 2HG2 THR 17 HG22 THR 17 -3.806 -2.292 9.404 150 3HG2 THR 17 HG21 THR 17 -4.884 -3.331 8.476 151 H THR 18 HN THR 18 -5.220 0.640 5.160 152 HA THR 18 HA THR 18 -5.387 3.214 6.662 153 HB THR 18 HB THR 18 -3.604 3.168 4.714 154 HG1 THR 18 HG1 THR 18 -4.879 4.927 5.903 155 1HG2 THR 18 HG22 THR 18 -5.587 2.244 3.150 156 2HG2 THR 18 HG21 THR 18 -5.999 3.953 3.080 157 3HG2 THR 18 HG23 THR 18 -4.420 3.406 2.528 158 H GLU 19 HN GLU 19 -7.259 4.433 6.253 159 HA GLU 19 HA GLU 19 -9.480 2.840 5.083 160 1HB GLU 19 HB2 GLU 19 -9.641 3.802 7.416 161 2HB GLU 19 HB1 GLU 19 -9.661 5.400 6.682 162 1HG GLU 19 HG2 GLU 19 -11.669 4.792 5.381 163 2HG GLU 19 HG1 GLU 19 -11.641 3.175 6.078 164 H ALA 20 HN ALA 20 -10.338 3.355 3.171 165 HA ALA 20 HA ALA 20 -10.091 6.150 2.173 166 1HB ALA 20 HB2 ALA 20 -9.190 3.647 0.741 167 2HB ALA 20 HB1 ALA 20 -9.529 5.149 -0.111 168 3HB ALA 20 HB3 ALA 20 -8.244 5.090 1.092 169 H VAL 21 HN VAL 21 -11.435 6.365 0.076 170 HA VAL 21 HA VAL 21 -14.049 5.043 0.596 171 HB VAL 21 HB VAL 21 -14.289 7.401 0.495 172 1HG1 VAL 21 HG11 VAL 21 -12.499 7.202 -1.941 173 2HG1 VAL 21 HG13 VAL 21 -13.382 8.665 -1.522 174 3HG1 VAL 21 HG12 VAL 21 -12.157 8.032 -0.428 175 1HG2 VAL 21 HG21 VAL 21 -15.784 5.909 -1.059 176 2HG2 VAL 21 HG23 VAL 21 -15.833 7.657 -1.266 177 3HG2 VAL 21 HG22 VAL 21 -14.883 6.665 -2.369 178 H ASP 22 HN ASP 22 -11.536 5.333 -1.813 179 HA ASP 22 HA ASP 22 -12.832 3.138 -3.333 180 1HB ASP 22 HB2 ASP 22 -12.512 4.299 -5.478 181 2HB ASP 22 HB1 ASP 22 -13.566 5.237 -4.422 182 H ALA 23 HN ALA 23 -11.285 2.372 -5.120 183 HA ALA 23 HA ALA 23 -8.782 1.673 -3.884 184 1HB ALA 23 HB3 ALA 23 -10.059 1.222 -6.544 185 2HB ALA 23 HB2 ALA 23 -8.324 0.954 -6.409 186 3HB ALA 23 HB1 ALA 23 -9.436 0.048 -5.388 187 H ALA 24 HN ALA 24 -9.758 4.343 -5.804 188 HA ALA 24 HA ALA 24 -7.190 4.999 -6.942 189 1HB ALA 24 HB1 ALA 24 -9.663 5.919 -7.398 190 2HB ALA 24 HB3 ALA 24 -9.123 7.172 -6.286 191 3HB ALA 24 HB2 ALA 24 -8.234 6.875 -7.777 192 H THR 25 HN THR 25 -8.933 6.711 -4.340 193 HA THR 25 HA THR 25 -6.674 8.156 -3.431 194 HB THR 25 HB THR 25 -8.642 9.006 -2.482 195 HG1 THR 25 HG1 THR 25 -8.312 8.635 -0.342 196 1HG2 THR 25 HG22 THR 25 -9.388 6.105 -2.327 197 2HG2 THR 25 HG21 THR 25 -10.090 7.192 -1.136 198 3HG2 THR 25 HG23 THR 25 -10.365 7.469 -2.852 199 H ALA 26 HN ALA 26 -7.487 4.833 -3.042 200 HA ALA 26 HA ALA 26 -5.977 4.354 -0.626 201 1HB ALA 26 HB3 ALA 26 -7.686 2.781 -1.705 202 2HB ALA 26 HB2 ALA 26 -6.417 2.349 -2.846 203 3HB ALA 26 HB1 ALA 26 -6.201 2.028 -1.128 204 H GLU 27 HN GLU 27 -5.200 4.346 -4.062 205 HA GLU 27 HA GLU 27 -2.526 3.339 -3.802 206 1HB GLU 27 HB2 GLU 27 -4.057 4.852 -5.876 207 2HB GLU 27 HB1 GLU 27 -2.304 4.826 -6.011 208 1HG GLU 27 HG2 GLU 27 -2.354 2.331 -5.888 209 2HG GLU 27 HG1 GLU 27 -4.112 2.395 -5.829 210 H LYS 28 HN LYS 28 -3.847 6.620 -3.887 211 HA LYS 28 HA LYS 28 -1.279 7.919 -3.592 212 1HB LYS 28 HB2 LYS 28 -3.368 8.965 -4.550 213 2HB LYS 28 HB1 LYS 28 -4.004 9.039 -2.912 214 1HG LYS 28 HG2 LYS 28 -1.837 10.295 -2.300 215 2HG LYS 28 HG1 LYS 28 -1.575 10.457 -4.031 216 1HD LYS 28 HD2 LYS 28 -2.815 12.368 -3.749 217 2HD LYS 28 HD1 LYS 28 -4.166 11.249 -3.883 218 1HE LYS 28 HE2 LYS 28 -2.937 12.410 -1.379 219 2HE LYS 28 HE1 LYS 28 -4.617 12.467 -1.895 220 1HZ LYS 28 HZ3 LYS 28 -3.366 9.860 -1.405 221 2HZ LYS 28 HZ2 LYS 28 -3.855 10.802 -0.079 222 3HZ LYS 28 HZ1 LYS 28 -4.992 10.327 -1.248 223 H VAL 29 HN VAL 29 -3.888 7.096 -1.344 224 HA VAL 29 HA VAL 29 -2.850 8.343 0.970 225 HB VAL 29 HB VAL 29 -4.476 5.812 0.653 226 1HG1 VAL 29 HG11 VAL 29 -3.551 7.306 3.116 227 2HG1 VAL 29 HG13 VAL 29 -5.021 6.337 3.131 228 3HG1 VAL 29 HG12 VAL 29 -3.468 5.576 2.795 229 1HG2 VAL 29 HG23 VAL 29 -5.175 8.403 0.163 230 2HG2 VAL 29 HG22 VAL 29 -6.311 7.187 0.740 231 3HG2 VAL 29 HG21 VAL 29 -5.551 8.293 1.880 232 H PHE 30 HN PHE 30 -2.466 4.937 -0.002 233 HA PHE 30 HA PHE 30 -0.530 4.344 2.018 234 1HB PHE 30 HB2 PHE 30 -1.372 3.036 -0.547 235 2HB PHE 30 HB1 PHE 30 0.076 2.461 0.267 236 HD1 PHE 30 HD1 PHE 30 -0.330 2.285 3.004 237 HD2 PHE 30 HD2 PHE 30 -3.317 1.860 -0.011 238 HE1 PHE 30 HE1 PHE 30 -1.744 1.029 4.568 239 HE2 PHE 30 HE2 PHE 30 -4.697 0.583 1.558 240 HZ PHE 30 HZ PHE 30 -3.909 0.140 3.836 241 H LYS 31 HN LYS 31 -0.198 5.386 -1.352 242 HA LYS 31 HA LYS 31 2.604 5.131 -1.593 243 1HB LYS 31 HB2 LYS 31 1.184 5.721 -3.496 244 2HB LYS 31 HB1 LYS 31 0.794 7.266 -2.747 245 1HG LYS 31 HG2 LYS 31 3.102 8.002 -2.906 246 2HG LYS 31 HG1 LYS 31 3.621 6.408 -3.438 247 1HD LYS 31 HD2 LYS 31 3.125 6.914 -5.583 248 2HD LYS 31 HD1 LYS 31 1.482 7.361 -5.138 249 1HE LYS 31 HE2 LYS 31 2.278 9.601 -4.450 250 2HE LYS 31 HE1 LYS 31 3.921 9.154 -4.893 251 1HZ LYS 31 HZ3 LYS 31 2.584 8.572 -7.134 252 2HZ LYS 31 HZ2 LYS 31 1.693 9.904 -6.570 253 3HZ LYS 31 HZ1 LYS 31 3.363 10.052 -6.843 254 H GLN 32 HN GLN 32 0.675 7.713 -0.157 255 HA GLN 32 HA GLN 32 2.822 9.519 0.359 256 1HB GLN 32 HB2 GLN 32 0.529 10.259 0.621 257 2HB GLN 32 HB1 GLN 32 0.233 9.042 1.858 258 1HG GLN 32 HG2 GLN 32 1.299 10.254 3.484 259 2HG GLN 32 HG1 GLN 32 2.545 10.825 2.377 260 1HE2 GLN 32 HE22 GLN 32 0.996 13.951 2.074 261 2HE2 GLN 32 HE21 GLN 32 2.427 13.037 2.095 262 OH TYR 33 OH TYR 33 4.712 2.510 8.389 263 H TYR 33 HN TYR 33 1.624 6.698 2.054 264 HA TYR 33 HA TYR 33 3.283 7.077 4.407 265 1HB TYR 33 HB2 TYR 33 1.229 5.721 4.494 266 2HB TYR 33 HB1 TYR 33 1.926 4.587 3.341 267 HD1 TYR 33 HD1 TYR 33 3.997 3.299 3.991 268 HD2 TYR 33 HD2 TYR 33 1.822 5.619 6.815 269 HE1 TYR 33 HE1 TYR 33 5.103 2.108 5.821 270 HE2 TYR 33 HE2 TYR 33 2.928 4.424 8.648 271 HH TYR 33 HH TYR 33 5.063 1.689 8.038 272 H ALA 34 HN ALA 34 3.423 4.648 1.810 273 HA ALA 34 HA ALA 34 5.904 3.519 2.406 274 1HB ALA 34 HB3 ALA 34 4.163 3.141 0.409 275 2HB ALA 34 HB2 ALA 34 5.357 4.094 -0.468 276 3HB ALA 34 HB1 ALA 34 5.831 2.583 0.302 277 H ASN 35 HN ASN 35 5.222 6.561 0.786 278 HA ASN 35 HA ASN 35 7.806 7.167 -0.192 279 1HB ASN 35 HB2 ASN 35 5.799 8.531 -0.680 280 2HB ASN 35 HB1 ASN 35 5.780 9.086 0.991 281 1HD2 ASN 35 HD22 ASN 35 7.911 11.202 -1.530 282 2HD2 ASN 35 HD21 ASN 35 6.530 10.283 -1.890 283 H ASP 36 HN ASP 36 6.465 7.437 3.039 284 HA ASP 36 HA ASP 36 8.707 8.904 4.142 285 1HB ASP 36 HB2 ASP 36 6.456 7.310 5.374 286 2HB ASP 36 HB1 ASP 36 7.710 8.065 6.354 287 H ASN 37 HN ASN 37 8.967 6.162 2.687 288 HA ASN 37 HA ASN 37 10.975 5.092 4.610 289 1HB ASN 37 HB2 ASN 37 8.882 3.447 3.164 290 2HB ASN 37 HB1 ASN 37 10.240 2.772 4.060 291 1HD2 ASN 37 HD22 ASN 37 6.954 3.987 6.050 292 2HD2 ASN 37 HD21 ASN 37 7.029 3.946 4.354 293 H GLY 38 HN GLY 38 10.408 6.314 1.655 294 1HA GLY 38 HA2 GLY 38 11.813 6.429 -0.234 295 2HA GLY 38 HA1 GLY 38 12.939 5.365 0.601 296 H VAL 39 HN VAL 39 9.754 4.185 0.489 297 HA VAL 39 HA VAL 39 10.591 2.145 -1.494 298 HB VAL 39 HB VAL 39 8.176 2.288 0.333 299 1HG1 VAL 39 HG11 VAL 39 9.036 0.393 -1.823 300 2HG1 VAL 39 HG13 VAL 39 8.294 -0.284 -0.377 301 3HG1 VAL 39 HG12 VAL 39 7.412 0.886 -1.353 302 1HG2 VAL 39 HG22 VAL 39 10.447 1.958 1.402 303 2HG2 VAL 39 HG21 VAL 39 9.342 0.607 1.640 304 3HG2 VAL 39 HG23 VAL 39 10.624 0.494 0.438 305 H ASP 40 HN ASP 40 10.296 2.937 -3.523 306 HA ASP 40 HA ASP 40 7.513 3.484 -4.345 307 1HB ASP 40 HB2 ASP 40 9.740 5.510 -4.481 308 2HB ASP 40 HB1 ASP 40 8.398 5.562 -5.622 309 H GLY 41 HN GLY 41 7.280 2.077 -5.968 310 1HA GLY 41 HA2 GLY 41 8.944 2.276 -8.338 311 2HA GLY 41 HA1 GLY 41 9.252 0.789 -7.448 312 H GLU 42 HN GLU 42 7.613 -0.774 -7.297 313 HA GLU 42 HA GLU 42 5.462 -0.474 -9.353 314 1HB GLU 42 HB2 GLU 42 6.223 -3.086 -8.122 315 2HB GLU 42 HB1 GLU 42 5.595 -2.764 -9.733 316 1HG GLU 42 HG2 GLU 42 7.851 -1.419 -10.024 317 2HG GLU 42 HG1 GLU 42 8.399 -2.435 -8.693 318 CH2 TRP 43 CH2 TRP 43 2.162 2.574 -1.975 319 H TRP 43 HN TRP 43 3.375 -0.577 -8.757 320 HA TRP 43 HA TRP 43 2.777 -1.238 -5.893 321 1HB TRP 43 HB2 TRP 43 1.729 0.892 -7.727 322 2HB TRP 43 HB1 TRP 43 0.773 0.347 -6.360 323 HD1 TRP 43 HD1 TRP 43 4.350 1.607 -7.110 324 HE1 TRP 43 HE1 TRP 43 5.082 2.926 -5.064 325 HE3 TRP 43 HE3 TRP 43 0.416 0.758 -4.192 326 HZ2 TRP 43 HZ2 TRP 43 4.068 3.466 -2.330 327 HZ3 TRP 43 HZ3 TRP 43 0.277 1.575 -1.897 328 HH2 TRP 43 HH2 TRP 43 2.098 2.934 -0.959 329 H THR 44 HN THR 44 1.238 -2.728 -5.501 330 HA THR 44 HA THR 44 -0.366 -3.703 -7.843 331 HB THR 44 HB THR 44 -0.149 -5.988 -6.961 332 HG1 THR 44 HG1 THR 44 0.050 -5.949 -4.851 333 1HG2 THR 44 HG22 THR 44 1.858 -5.054 -8.246 334 2HG2 THR 44 HG21 THR 44 2.563 -4.643 -6.685 335 3HG2 THR 44 HG23 THR 44 2.258 -6.327 -7.098 336 OH TYR 45 OH TYR 45 -8.965 -1.444 -3.177 337 H TYR 45 HN TYR 45 -2.314 -4.964 -7.124 338 HA TYR 45 HA TYR 45 -3.521 -3.925 -4.605 339 1HB TYR 45 HB2 TYR 45 -4.066 -2.514 -6.711 340 2HB TYR 45 HB1 TYR 45 -5.027 -3.898 -7.232 341 HD1 TYR 45 HD1 TYR 45 -6.547 -4.816 -4.946 342 HD2 TYR 45 HD2 TYR 45 -5.396 -0.831 -5.871 343 HE1 TYR 45 HE1 TYR 45 -8.356 -3.967 -3.550 344 HE2 TYR 45 HE2 TYR 45 -7.242 0.015 -4.512 345 HH TYR 45 HH TYR 45 -9.572 -0.980 -3.759 346 H ASP 46 HN ASP 46 -4.500 -5.548 -3.537 347 HA ASP 46 HA ASP 46 -5.130 -8.056 -5.043 348 1HB ASP 46 HB2 ASP 46 -3.455 -7.984 -3.039 349 2HB ASP 46 HB1 ASP 46 -4.905 -7.907 -2.048 350 H ASP 47 HN ASP 47 -7.187 -7.112 -5.707 351 HA ASP 47 HA ASP 47 -9.164 -6.327 -3.748 352 1HB ASP 47 HB2 ASP 47 -9.137 -5.726 -6.233 353 2HB ASP 47 HB1 ASP 47 -9.748 -7.351 -6.530 354 H ALA 48 HN ALA 48 -7.817 -9.266 -4.340 355 HA ALA 48 HA ALA 48 -10.174 -10.955 -4.237 356 1HB ALA 48 HB2 ALA 48 -7.442 -11.348 -4.694 357 2HB ALA 48 HB1 ALA 48 -7.770 -12.211 -3.193 358 3HB ALA 48 HB3 ALA 48 -8.683 -12.594 -4.649 359 H THR 49 HN THR 49 -8.155 -9.373 -1.884 360 HA THR 49 HA THR 49 -9.995 -10.328 0.243 361 HB THR 49 HB THR 49 -8.344 -11.342 1.570 362 HG1 THR 49 HG1 THR 49 -6.545 -9.686 0.107 363 1HG2 THR 49 HG23 THR 49 -8.271 -12.523 -0.690 364 2HG2 THR 49 HG22 THR 49 -6.938 -11.458 -1.127 365 3HG2 THR 49 HG21 THR 49 -6.755 -12.597 0.204 366 H LYS 50 HN LYS 50 -9.101 -7.762 -1.243 367 HA LYS 50 HA LYS 50 -8.848 -5.496 -0.678 368 1HB LYS 50 HB2 LYS 50 -9.715 -6.295 2.103 369 2HB LYS 50 HB1 LYS 50 -9.970 -4.757 1.288 370 1HG LYS 50 HG2 LYS 50 -11.232 -6.263 -0.490 371 2HG LYS 50 HG1 LYS 50 -11.369 -7.382 0.862 372 1HD LYS 50 HD2 LYS 50 -13.276 -6.124 1.241 373 2HD LYS 50 HD1 LYS 50 -12.122 -5.147 2.140 374 1HE LYS 50 HE2 LYS 50 -11.753 -3.778 0.063 375 2HE LYS 50 HE1 LYS 50 -13.034 -4.695 -0.720 376 1HZ LYS 50 HZ1 LYS 50 -13.333 -3.057 1.737 377 2HZ LYS 50 HZ3 LYS 50 -13.858 -2.622 0.182 378 3HZ LYS 50 HZ2 LYS 50 -14.569 -3.942 0.981 379 H THR 51 HN THR 51 -6.509 -6.385 -0.854 380 HA THR 51 HA THR 51 -5.057 -5.431 1.567 381 HB THR 51 HB THR 51 -4.804 -8.164 0.275 382 HG1 THR 51 HG1 THR 51 -5.065 -6.953 2.825 383 1HG2 THR 51 HG22 THR 51 -2.763 -6.781 2.061 384 2HG2 THR 51 HG21 THR 51 -2.744 -8.479 1.617 385 3HG2 THR 51 HG23 THR 51 -2.472 -7.249 0.390 386 H PHE 52 HN PHE 52 -3.697 -3.843 0.872 387 HA PHE 52 HA PHE 52 -2.985 -3.668 -1.966 388 1HB PHE 52 HB2 PHE 52 -3.024 -1.887 0.321 389 2HB PHE 52 HB1 PHE 52 -1.513 -1.758 -0.568 390 HD1 PHE 52 HD1 PHE 52 -1.520 -1.068 -2.964 391 HD2 PHE 52 HD2 PHE 52 -5.120 -1.301 -0.735 392 HE1 PHE 52 HE1 PHE 52 -2.715 0.168 -4.729 393 HE2 PHE 52 HE2 PHE 52 -6.263 0.060 -2.394 394 HZ PHE 52 HZ PHE 52 -5.053 0.845 -4.372 395 H THR 53 HN THR 53 -0.692 -3.414 -2.623 396 HA THR 53 HA THR 53 1.366 -4.355 -0.774 397 HB THR 53 HB THR 53 0.391 -6.142 -3.023 398 HG1 THR 53 HG1 THR 53 0.626 -7.519 -1.025 399 1HG2 THR 53 HG21 THR 53 3.061 -5.898 -1.697 400 2HG2 THR 53 HG23 THR 53 2.393 -7.522 -1.828 401 3HG2 THR 53 HG22 THR 53 2.671 -6.565 -3.279 402 H VAL 54 HN VAL 54 3.258 -3.479 -1.315 403 HA VAL 54 HA VAL 54 3.666 -2.598 -4.147 404 HB VAL 54 HB VAL 54 3.059 -0.688 -2.620 405 1HG1 VAL 54 HG13 VAL 54 4.194 -1.751 -0.626 406 2HG1 VAL 54 HG12 VAL 54 5.734 -1.267 -1.327 407 3HG1 VAL 54 HG11 VAL 54 4.557 -0.048 -0.857 408 1HG2 VAL 54 HG21 VAL 54 5.848 -0.774 -3.804 409 2HG2 VAL 54 HG23 VAL 54 4.389 -0.149 -4.552 410 3HG2 VAL 54 HG22 VAL 54 5.111 0.696 -3.191 411 H THR 55 HN THR 55 5.844 -2.626 -4.838 412 HA THR 55 HA THR 55 7.829 -3.843 -2.991 413 HB THR 55 HB THR 55 7.149 -5.040 -5.714 414 HG1 THR 55 HG1 THR 55 5.605 -5.533 -4.182 415 1HG2 THR 55 HG22 THR 55 9.359 -5.399 -3.763 416 2HG2 THR 55 HG21 THR 55 8.539 -6.889 -4.226 417 3HG2 THR 55 HG23 THR 55 9.282 -5.874 -5.454 418 H GLU 56 HN GLU 56 9.519 -2.465 -3.105 419 HA GLU 56 HA GLU 56 9.969 -0.610 -5.224 420 1HB GLU 56 HB2 GLU 56 11.078 -1.062 -2.728 421 2HB GLU 56 HB1 GLU 56 12.407 -1.426 -3.818 422 1HG GLU 56 HG2 GLU 56 10.746 1.120 -3.858 423 2HG GLU 56 HG1 GLU 56 12.384 0.977 -3.225 Start of MODEL 36 Raw file had 423 H/Q atoms Entry Start of MODEL 36 1 1H MET 1 HT1 MET 1 -13.811 2.070 4.608 2 2H MET 1 HT3 MET 1 -13.683 2.001 2.916 3 3H MET 1 HT2 MET 1 -15.025 1.311 3.695 4 HA MET 1 HA MET 1 -13.690 -0.376 4.685 5 1HB MET 1 HB2 MET 1 -12.979 -0.039 1.759 6 2HB MET 1 HB1 MET 1 -12.873 -1.539 2.672 7 1HG MET 1 HG2 MET 1 -15.334 -1.233 3.213 8 2HG MET 1 HG1 MET 1 -15.356 0.062 2.047 9 1HE MET 1 HE2 MET 1 -14.748 -0.080 -0.249 10 2HE MET 1 HE1 MET 1 -15.372 -1.353 -1.297 11 3HE MET 1 HE3 MET 1 -16.478 -0.424 -0.285 12 H THR 2 HN THR 2 -11.560 -1.398 4.820 13 HA THR 2 HA THR 2 -9.306 0.560 4.577 14 HB THR 2 HB THR 2 -9.622 -1.397 6.887 15 HG1 THR 2 HG1 THR 2 -10.893 0.887 6.246 16 1HG2 THR 2 HG21 THR 2 -7.385 -0.042 6.091 17 2HG2 THR 2 HG23 THR 2 -8.171 1.198 7.063 18 3HG2 THR 2 HG22 THR 2 -7.756 -0.356 7.782 19 OH TYR 3 OH TYR 3 -11.674 0.111 -0.843 20 H TYR 3 HN TYR 3 -7.692 -0.214 3.375 21 HA TYR 3 HA TYR 3 -7.586 -3.157 2.888 22 1HB TYR 3 HB2 TYR 3 -6.063 -1.065 1.347 23 2HB TYR 3 HB1 TYR 3 -6.488 -2.691 0.845 24 HD1 TYR 3 HD1 TYR 3 -8.023 0.586 1.791 25 HD2 TYR 3 HD2 TYR 3 -8.502 -3.070 -0.316 26 HE1 TYR 3 HE1 TYR 3 -10.120 1.414 0.827 27 HE2 TYR 3 HE2 TYR 3 -10.592 -2.241 -1.289 28 HH TYR 3 HH TYR 3 -12.383 -0.471 -0.561 29 H LYS 4 HN LYS 4 -5.506 -4.198 2.844 30 HA LYS 4 HA LYS 4 -3.662 -3.046 4.887 31 1HB LYS 4 HB2 LYS 4 -4.830 -5.409 5.011 32 2HB LYS 4 HB1 LYS 4 -3.547 -5.882 3.912 33 1HG LYS 4 HG2 LYS 4 -2.113 -4.495 5.794 34 2HG LYS 4 HG1 LYS 4 -3.395 -5.172 6.789 35 1HD LYS 4 HD2 LYS 4 -1.659 -6.789 4.887 36 2HD LYS 4 HD1 LYS 4 -1.404 -6.676 6.623 37 1HE LYS 4 HE2 LYS 4 -3.635 -7.628 7.037 38 2HE LYS 4 HE1 LYS 4 -3.941 -7.705 5.309 39 1HZ LYS 4 HZ2 LYS 4 -1.502 -8.968 5.842 40 2HZ LYS 4 HZ1 LYS 4 -2.667 -9.588 6.910 41 3HZ LYS 4 HZ3 LYS 4 -2.936 -9.645 5.234 42 H LEU 5 HN LEU 5 -1.838 -2.160 4.095 43 HA LEU 5 HA LEU 5 -0.931 -2.857 1.392 44 1HB LEU 5 HB2 LEU 5 -0.774 -0.523 1.998 45 2HB LEU 5 HB1 LEU 5 0.060 -0.900 3.496 46 HG LEU 5 HG LEU 5 2.020 -1.754 2.107 47 1HD1 LEU 5 HD13 LEU 5 0.415 -0.500 -0.142 48 2HD1 LEU 5 HD12 LEU 5 2.079 -1.046 -0.271 49 3HD1 LEU 5 HD11 LEU 5 0.795 -2.211 0.007 50 1HD2 LEU 5 HD22 LEU 5 1.802 0.596 3.051 51 2HD2 LEU 5 HD21 LEU 5 2.883 0.432 1.673 52 3HD2 LEU 5 HD23 LEU 5 1.270 1.095 1.450 53 H ILE 6 HN ILE 6 1.142 -3.724 0.933 54 HA ILE 6 HA ILE 6 2.555 -5.019 3.181 55 HB ILE 6 HB ILE 6 2.079 -6.299 0.481 56 1HG1 ILE 6 HG12 ILE 6 0.723 -6.668 3.167 57 2HG1 ILE 6 HG11 ILE 6 -0.035 -6.263 1.634 58 1HG2 ILE 6 HG23 ILE 6 4.180 -6.884 1.885 59 2HG2 ILE 6 HG22 ILE 6 3.057 -7.604 3.030 60 3HG2 ILE 6 HG21 ILE 6 3.159 -8.223 1.385 61 1HD1 ILE 6 HD1 ILE 6 0.914 -8.515 0.778 62 2HD1 ILE 6 HD3 ILE 6 1.182 -8.899 2.476 63 3HD1 ILE 6 HD2 ILE 6 -0.445 -8.589 1.891 64 H LEU 7 HN LEU 7 4.344 -3.784 3.259 65 HA LEU 7 HA LEU 7 5.586 -2.751 0.831 66 1HB LEU 7 HB2 LEU 7 6.329 -2.662 3.748 67 2HB LEU 7 HB1 LEU 7 7.379 -2.004 2.500 68 HG LEU 7 HG LEU 7 4.579 -1.157 2.207 69 1HD1 LEU 7 HD12 LEU 7 6.150 -0.318 4.669 70 2HD1 LEU 7 HD11 LEU 7 4.627 0.390 4.139 71 3HD1 LEU 7 HD13 LEU 7 4.678 -1.284 4.679 72 1HD2 LEU 7 HD23 LEU 7 6.516 -0.185 0.990 73 2HD2 LEU 7 HD22 LEU 7 5.688 1.035 1.951 74 3HD2 LEU 7 HD21 LEU 7 7.205 0.343 2.521 75 H ASN 8 HN ASN 8 6.786 -3.970 -0.455 76 HA ASN 8 HA ASN 8 8.304 -6.239 0.746 77 1HB ASN 8 HB2 ASN 8 6.761 -5.897 -1.664 78 2HB ASN 8 HB1 ASN 8 8.403 -6.332 -2.089 79 1HD2 ASN 8 HD22 ASN 8 6.055 -9.234 -1.036 80 2HD2 ASN 8 HD21 ASN 8 5.622 -7.791 -1.805 81 H GLY 9 HN GLY 9 9.248 -3.605 1.084 82 1HA GLY 9 HA2 GLY 9 11.071 -2.657 -0.824 83 2HA GLY 9 HA1 GLY 9 11.297 -2.460 0.905 84 H LYS 10 HN LYS 10 13.047 -3.239 -1.503 85 HA LYS 10 HA LYS 10 13.953 -5.930 -1.017 86 1HB LYS 10 HB2 LYS 10 15.913 -5.294 -2.370 87 2HB LYS 10 HB1 LYS 10 14.426 -4.738 -3.128 88 1HG LYS 10 HG2 LYS 10 14.919 -2.558 -1.663 89 2HG LYS 10 HG1 LYS 10 16.573 -3.150 -1.777 90 1HD LYS 10 HD2 LYS 10 16.042 -3.415 -4.325 91 2HD LYS 10 HD1 LYS 10 14.713 -2.311 -3.998 92 1HE LYS 10 HE2 LYS 10 16.436 -0.777 -2.892 93 2HE LYS 10 HE1 LYS 10 17.673 -1.817 -3.586 94 1HZ LYS 10 HZ1 LYS 10 15.548 -0.618 -5.247 95 2HZ LYS 10 HZ3 LYS 10 16.986 0.215 -4.900 96 3HZ LYS 10 HZ2 LYS 10 17.042 -1.261 -5.738 97 H THR 11 HN THR 11 14.318 -3.015 0.644 98 HA THR 11 HA THR 11 16.435 -4.223 2.360 99 HB THR 11 HB THR 11 16.978 -1.611 2.687 100 HG1 THR 11 HG1 THR 11 15.136 -1.296 1.180 101 1HG2 THR 11 HG21 THR 11 17.792 -3.410 0.388 102 2HG2 THR 11 HG23 THR 11 18.455 -1.788 0.561 103 3HG2 THR 11 HG22 THR 11 18.741 -2.993 1.812 104 H LEU 12 HN LEU 12 13.311 -3.085 2.132 105 HA LEU 12 HA LEU 12 13.103 -2.977 5.085 106 1HB LEU 12 HB2 LEU 12 13.588 -0.627 4.233 107 2HB LEU 12 HB1 LEU 12 12.015 -0.686 3.446 108 HG LEU 12 HG LEU 12 11.294 -1.519 5.915 109 1HD1 LEU 12 HD12 LEU 12 13.780 -1.178 6.573 110 2HD1 LEU 12 HD11 LEU 12 13.425 0.545 6.494 111 3HD1 LEU 12 HD13 LEU 12 12.560 -0.481 7.634 112 1HD2 LEU 12 HD23 LEU 12 11.693 1.342 4.978 113 2HD2 LEU 12 HD22 LEU 12 10.261 0.348 4.731 114 3HD2 LEU 12 HD21 LEU 12 10.692 0.883 6.352 115 H LYS 13 HN LYS 13 11.653 -4.605 5.256 116 HA LYS 13 HA LYS 13 9.258 -4.567 3.494 117 1HB LYS 13 HB2 LYS 13 10.233 -6.702 5.401 118 2HB LYS 13 HB1 LYS 13 8.861 -6.853 4.313 119 1HG LYS 13 HG2 LYS 13 10.259 -6.724 2.375 120 2HG LYS 13 HG1 LYS 13 11.638 -6.174 3.321 121 1HD LYS 13 HD2 LYS 13 10.417 -8.798 4.070 122 2HD LYS 13 HD1 LYS 13 11.369 -8.742 2.590 123 1HE LYS 13 HE2 LYS 13 12.441 -7.521 5.130 124 2HE LYS 13 HE1 LYS 13 12.589 -9.251 4.850 125 1HZ LYS 13 HZ1 LYS 13 13.571 -7.122 3.033 126 2HZ LYS 13 HZ3 LYS 13 14.531 -8.056 4.077 127 3HZ LYS 13 HZ2 LYS 13 13.725 -8.794 2.777 128 H GLY 14 HN GLY 14 7.242 -4.176 4.276 129 1HA GLY 14 HA2 GLY 14 6.741 -4.204 7.179 130 2HA GLY 14 HA1 GLY 14 6.651 -2.617 6.420 131 H GLU 15 HN GLU 15 4.382 -2.931 7.346 132 HA GLU 15 HA GLU 15 2.544 -3.375 5.207 133 1HB GLU 15 HB2 GLU 15 1.371 -5.362 6.434 134 2HB GLU 15 HB1 GLU 15 2.756 -5.700 5.404 135 1HG GLU 15 HG2 GLU 15 4.178 -6.083 7.208 136 2HG GLU 15 HG1 GLU 15 3.245 -5.057 8.294 137 H THR 16 HN THR 16 0.838 -2.113 5.663 138 HA THR 16 HA THR 16 -0.087 -1.894 8.480 139 HB THR 16 HB THR 16 1.480 0.013 8.208 140 HG1 THR 16 HG1 THR 16 -1.103 1.063 7.884 141 1HG2 THR 16 HG21 THR 16 0.334 0.111 5.581 142 2HG2 THR 16 HG23 THR 16 -0.112 1.595 6.413 143 3HG2 THR 16 HG22 THR 16 1.586 1.157 6.238 144 H THR 17 HN THR 17 -2.069 -0.146 8.333 145 HA THR 17 HA THR 17 -3.704 -0.880 5.939 146 HB THR 17 HB THR 17 -5.534 -1.629 7.270 147 HG1 THR 17 HG1 THR 17 -5.844 -0.242 8.853 148 1HG2 THR 17 HG23 THR 17 -3.274 -3.003 7.632 149 2HG2 THR 17 HG22 THR 17 -3.375 -2.316 9.248 150 3HG2 THR 17 HG21 THR 17 -4.676 -3.335 8.640 151 H THR 18 HN THR 18 -4.929 0.745 5.138 152 HA THR 18 HA THR 18 -5.153 3.256 6.760 153 HB THR 18 HB THR 18 -3.499 3.254 4.702 154 HG1 THR 18 HG1 THR 18 -4.795 4.971 5.995 155 1HG2 THR 18 HG23 THR 18 -5.533 2.316 3.246 156 2HG2 THR 18 HG22 THR 18 -6.032 4.004 3.259 157 3HG2 THR 18 HG21 THR 18 -4.472 3.553 2.579 158 H GLU 19 HN GLU 19 -7.079 4.403 6.573 159 HA GLU 19 HA GLU 19 -9.356 2.802 5.575 160 1HB GLU 19 HB2 GLU 19 -9.498 3.800 7.818 161 2HB GLU 19 HB1 GLU 19 -9.288 5.403 7.125 162 1HG GLU 19 HG2 GLU 19 -11.489 3.644 6.078 163 2HG GLU 19 HG1 GLU 19 -11.723 4.487 7.605 164 H ALA 20 HN ALA 20 -10.062 3.092 3.566 165 HA ALA 20 HA ALA 20 -10.162 5.858 2.462 166 1HB ALA 20 HB2 ALA 20 -8.983 3.444 1.067 167 2HB ALA 20 HB1 ALA 20 -9.344 4.968 0.266 168 3HB ALA 20 HB3 ALA 20 -8.127 4.907 1.537 169 H VAL 21 HN VAL 21 -11.562 5.947 0.478 170 HA VAL 21 HA VAL 21 -13.906 4.157 0.886 171 HB VAL 21 HB VAL 21 -14.327 6.582 0.971 172 1HG1 VAL 21 HG12 VAL 21 -12.384 6.969 -0.760 173 2HG1 VAL 21 HG11 VAL 21 -13.655 6.769 -1.960 174 3HG1 VAL 21 HG13 VAL 21 -13.767 8.056 -0.765 175 1HG2 VAL 21 HG22 VAL 21 -16.065 5.027 0.049 176 2HG2 VAL 21 HG21 VAL 21 -16.174 6.646 -0.633 177 3HG2 VAL 21 HG23 VAL 21 -15.452 5.344 -1.570 178 H ASP 22 HN ASP 22 -12.015 5.543 -1.803 179 HA ASP 22 HA ASP 22 -12.913 3.247 -3.500 180 1HB ASP 22 HB2 ASP 22 -12.558 4.630 -5.421 181 2HB ASP 22 HB1 ASP 22 -13.428 5.623 -4.254 182 H ALA 23 HN ALA 23 -11.294 2.502 -5.110 183 HA ALA 23 HA ALA 23 -8.821 1.815 -3.765 184 1HB ALA 23 HB1 ALA 23 -10.118 1.189 -6.365 185 2HB ALA 23 HB3 ALA 23 -8.368 1.010 -6.294 186 3HB ALA 23 HB2 ALA 23 -9.392 0.105 -5.184 187 H ALA 24 HN ALA 24 -9.761 4.194 -6.145 188 HA ALA 24 HA ALA 24 -7.179 4.866 -7.143 189 1HB ALA 24 HB1 ALA 24 -9.695 5.733 -7.671 190 2HB ALA 24 HB3 ALA 24 -9.086 7.098 -6.741 191 3HB ALA 24 HB2 ALA 24 -8.250 6.586 -8.203 192 H THR 25 HN THR 25 -9.049 6.551 -4.617 193 HA THR 25 HA THR 25 -6.931 8.232 -3.757 194 HB THR 25 HB THR 25 -9.489 8.254 -3.089 195 HG1 THR 25 HG1 THR 25 -7.662 9.626 -2.439 196 1HG2 THR 25 HG22 THR 25 -9.061 5.944 -1.845 197 2HG2 THR 25 HG21 THR 25 -8.345 6.975 -0.610 198 3HG2 THR 25 HG23 THR 25 -10.035 7.181 -1.058 199 H ALA 26 HN ALA 26 -7.627 4.886 -3.058 200 HA ALA 26 HA ALA 26 -5.958 4.649 -0.724 201 1HB ALA 26 HB2 ALA 26 -7.645 2.947 -1.368 202 2HB ALA 26 HB1 ALA 26 -6.666 2.528 -2.770 203 3HB ALA 26 HB3 ALA 26 -6.050 2.233 -1.148 204 H GLU 27 HN GLU 27 -5.355 4.324 -4.181 205 HA GLU 27 HA GLU 27 -2.695 3.326 -4.028 206 1HB GLU 27 HB2 GLU 27 -4.115 5.029 -6.083 207 2HB GLU 27 HB1 GLU 27 -2.472 4.448 -6.309 208 1HG GLU 27 HG2 GLU 27 -3.325 2.101 -5.915 209 2HG GLU 27 HG1 GLU 27 -4.958 2.758 -5.917 210 H LYS 28 HN LYS 28 -3.995 6.592 -3.904 211 HA LYS 28 HA LYS 28 -1.334 7.820 -3.859 212 1HB LYS 28 HB2 LYS 28 -3.785 9.292 -2.987 213 2HB LYS 28 HB1 LYS 28 -2.438 9.851 -3.974 214 1HG LYS 28 HG2 LYS 28 -3.234 8.243 -5.778 215 2HG LYS 28 HG1 LYS 28 -4.680 7.989 -4.810 216 1HD LYS 28 HD2 LYS 28 -5.146 10.423 -4.875 217 2HD LYS 28 HD1 LYS 28 -3.711 10.665 -5.864 218 1HE LYS 28 HE2 LYS 28 -4.744 8.949 -7.487 219 2HE LYS 28 HE1 LYS 28 -6.238 9.165 -6.583 220 1HZ LYS 28 HZ2 LYS 28 -5.176 11.687 -7.167 221 2HZ LYS 28 HZ1 LYS 28 -5.198 10.778 -8.602 222 3HZ LYS 28 HZ3 LYS 28 -6.628 10.998 -7.714 223 H VAL 29 HN VAL 29 -3.903 7.154 -1.524 224 HA VAL 29 HA VAL 29 -2.791 8.468 0.719 225 HB VAL 29 HB VAL 29 -4.459 5.954 0.521 226 1HG1 VAL 29 HG11 VAL 29 -3.412 7.477 2.911 227 2HG1 VAL 29 HG13 VAL 29 -4.922 6.576 3.004 228 3HG1 VAL 29 HG12 VAL 29 -3.418 5.737 2.638 229 1HG2 VAL 29 HG22 VAL 29 -5.128 8.542 -0.013 230 2HG2 VAL 29 HG21 VAL 29 -6.268 7.362 0.628 231 3HG2 VAL 29 HG23 VAL 29 -5.455 8.482 1.717 232 H PHE 30 HN PHE 30 -2.481 5.021 -0.129 233 HA PHE 30 HA PHE 30 -0.515 4.445 1.861 234 1HB PHE 30 HB2 PHE 30 -1.438 3.117 -0.656 235 2HB PHE 30 HB1 PHE 30 0.058 2.554 0.078 236 HD1 PHE 30 HD1 PHE 30 -0.166 2.353 2.808 237 HD2 PHE 30 HD2 PHE 30 -3.370 1.990 0.022 238 HE1 PHE 30 HE1 PHE 30 -1.474 1.087 4.463 239 HE2 PHE 30 HE2 PHE 30 -4.650 0.720 1.677 240 HZ PHE 30 HZ PHE 30 -3.699 0.229 3.879 241 H LYS 31 HN LYS 31 -0.210 5.417 -1.533 242 HA LYS 31 HA LYS 31 2.598 5.165 -1.774 243 1HB LYS 31 HB2 LYS 31 1.163 5.654 -3.696 244 2HB LYS 31 HB1 LYS 31 0.772 7.234 -3.017 245 1HG LYS 31 HG2 LYS 31 3.036 7.999 -3.254 246 2HG LYS 31 HG1 LYS 31 3.620 6.375 -3.597 247 1HD LYS 31 HD2 LYS 31 2.229 6.361 -5.679 248 2HD LYS 31 HD1 LYS 31 1.773 8.029 -5.351 249 1HE LYS 31 HE2 LYS 31 4.554 8.042 -5.113 250 2HE LYS 31 HE1 LYS 31 4.258 6.977 -6.482 251 1HZ LYS 31 HZ3 LYS 31 3.171 9.719 -6.165 252 2HZ LYS 31 HZ2 LYS 31 4.468 9.278 -7.169 253 3HZ LYS 31 HZ1 LYS 31 2.907 8.693 -7.493 254 H GLN 32 HN GLN 32 0.644 7.698 -0.337 255 HA GLN 32 HA GLN 32 2.794 9.573 0.047 256 1HB GLN 32 HB2 GLN 32 0.408 10.216 0.189 257 2HB GLN 32 HB1 GLN 32 0.233 9.230 1.636 258 1HG GLN 32 HG2 GLN 32 2.388 11.330 1.539 259 2HG GLN 32 HG1 GLN 32 0.727 11.810 1.878 260 1HE2 GLN 32 HE22 GLN 32 2.870 10.368 4.872 261 2HE2 GLN 32 HE21 GLN 32 3.502 11.060 3.457 262 OH TYR 33 OH TYR 33 4.668 2.756 8.238 263 H TYR 33 HN TYR 33 1.680 6.765 1.755 264 HA TYR 33 HA TYR 33 3.208 7.308 4.180 265 1HB TYR 33 HB2 TYR 33 1.196 5.926 4.301 266 2HB TYR 33 HB1 TYR 33 1.892 4.778 3.164 267 HD1 TYR 33 HD1 TYR 33 3.924 3.463 3.829 268 HD2 TYR 33 HD2 TYR 33 1.825 5.886 6.621 269 HE1 TYR 33 HE1 TYR 33 5.027 2.290 5.674 270 HE2 TYR 33 HE2 TYR 33 2.925 4.711 8.470 271 HH TYR 33 HH TYR 33 4.988 3.413 8.861 272 H ALA 34 HN ALA 34 3.485 4.848 1.628 273 HA ALA 34 HA ALA 34 5.949 3.736 2.341 274 1HB ALA 34 HB3 ALA 34 4.677 4.237 -0.343 275 2HB ALA 34 HB2 ALA 34 6.250 3.458 -0.217 276 3HB ALA 34 HB1 ALA 34 4.839 2.716 0.528 277 H ASN 35 HN ASN 35 5.299 6.757 0.674 278 HA ASN 35 HA ASN 35 7.952 7.364 -0.159 279 1HB ASN 35 HB2 ASN 35 5.825 8.601 -0.788 280 2HB ASN 35 HB1 ASN 35 5.912 9.386 0.787 281 1HD2 ASN 35 HD22 ASN 35 9.432 10.298 -0.797 282 2HD2 ASN 35 HD21 ASN 35 9.070 8.836 -0.013 283 H ASP 36 HN ASP 36 6.258 8.054 2.870 284 HA ASP 36 HA ASP 36 8.424 9.516 4.073 285 1HB ASP 36 HB2 ASP 36 6.215 7.944 5.428 286 2HB ASP 36 HB1 ASP 36 7.201 9.200 6.172 287 H ASN 37 HN ASN 37 8.207 6.324 3.197 288 HA ASN 37 HA ASN 37 10.102 5.444 5.346 289 1HB ASN 37 HB2 ASN 37 8.049 3.988 3.708 290 2HB ASN 37 HB1 ASN 37 9.422 3.108 4.374 291 1HD2 ASN 37 HD22 ASN 37 6.544 4.590 6.889 292 2HD2 ASN 37 HD21 ASN 37 6.619 5.123 5.278 293 H GLY 38 HN GLY 38 9.650 5.924 1.953 294 1HA GLY 38 HA2 GLY 38 11.485 6.167 0.409 295 2HA GLY 38 HA1 GLY 38 12.505 5.256 1.519 296 H VAL 39 HN VAL 39 9.400 4.640 -0.132 297 HA VAL 39 HA VAL 39 10.625 2.252 -1.412 298 HB VAL 39 HB VAL 39 8.159 2.213 0.344 299 1HG1 VAL 39 HG11 VAL 39 9.099 0.422 -1.864 300 2HG1 VAL 39 HG13 VAL 39 8.418 -0.343 -0.432 301 3HG1 VAL 39 HG12 VAL 39 7.456 0.803 -1.358 302 1HG2 VAL 39 HG21 VAL 39 10.804 0.712 0.407 303 2HG2 VAL 39 HG23 VAL 39 10.299 1.966 1.535 304 3HG2 VAL 39 HG22 VAL 39 9.459 0.420 1.504 305 H ASP 40 HN ASP 40 10.412 3.226 -3.428 306 HA ASP 40 HA ASP 40 7.598 3.467 -4.407 307 1HB ASP 40 HB2 ASP 40 9.869 5.416 -4.821 308 2HB ASP 40 HB1 ASP 40 8.438 5.396 -5.848 309 H GLY 41 HN GLY 41 7.253 2.233 -6.135 310 1HA GLY 41 HA2 GLY 41 9.062 2.008 -8.350 311 2HA GLY 41 HA1 GLY 41 9.207 0.578 -7.331 312 H GLU 42 HN GLU 42 7.686 -0.993 -7.496 313 HA GLU 42 HA GLU 42 5.501 -0.541 -9.472 314 1HB GLU 42 HB2 GLU 42 6.153 -3.213 -8.302 315 2HB GLU 42 HB1 GLU 42 5.546 -2.827 -9.906 316 1HG GLU 42 HG2 GLU 42 7.782 -1.688 -10.355 317 2HG GLU 42 HG1 GLU 42 8.357 -2.395 -8.848 318 CH2 TRP 43 CH2 TRP 43 2.083 2.592 -2.249 319 H TRP 43 HN TRP 43 3.368 -0.798 -8.932 320 HA TRP 43 HA TRP 43 2.779 -1.324 -6.037 321 1HB TRP 43 HB2 TRP 43 1.705 0.723 -7.949 322 2HB TRP 43 HB1 TRP 43 0.746 0.211 -6.571 323 HD1 TRP 43 HD1 TRP 43 4.310 1.491 -7.340 324 HE1 TRP 43 HE1 TRP 43 5.024 2.866 -5.325 325 HE3 TRP 43 HE3 TRP 43 0.363 0.704 -4.422 326 HZ2 TRP 43 HZ2 TRP 43 3.987 3.483 -2.616 327 HZ3 TRP 43 HZ3 TRP 43 0.203 1.593 -2.153 328 HH2 TRP 43 HH2 TRP 43 2.012 2.977 -1.242 329 H THR 44 HN THR 44 1.203 -2.737 -5.557 330 HA THR 44 HA THR 44 -0.372 -3.890 -7.834 331 HB THR 44 HB THR 44 -0.253 -6.063 -6.370 332 HG1 THR 44 HG1 THR 44 1.726 -4.294 -5.357 333 1HG2 THR 44 HG23 THR 44 1.816 -4.838 -8.112 334 2HG2 THR 44 HG22 THR 44 2.418 -6.087 -7.027 335 3HG2 THR 44 HG21 THR 44 1.135 -6.460 -8.174 336 OH TYR 45 OH TYR 45 -8.856 -1.286 -3.118 337 H TYR 45 HN TYR 45 -2.335 -5.078 -7.058 338 HA TYR 45 HA TYR 45 -3.521 -3.962 -4.565 339 1HB TYR 45 HB2 TYR 45 -4.029 -2.556 -6.690 340 2HB TYR 45 HB1 TYR 45 -5.038 -3.916 -7.183 341 HD1 TYR 45 HD1 TYR 45 -6.546 -4.752 -4.845 342 HD2 TYR 45 HD2 TYR 45 -5.315 -0.818 -5.880 343 HE1 TYR 45 HE1 TYR 45 -8.318 -3.831 -3.449 344 HE2 TYR 45 HE2 TYR 45 -7.129 0.100 -4.525 345 HH TYR 45 HH TYR 45 -8.459 -0.833 -2.370 346 H ASP 46 HN ASP 46 -4.512 -5.571 -3.482 347 HA ASP 46 HA ASP 46 -5.175 -8.077 -4.971 348 1HB ASP 46 HB2 ASP 46 -3.582 -8.063 -2.944 349 2HB ASP 46 HB1 ASP 46 -5.028 -7.801 -1.976 350 H ASP 47 HN ASP 47 -7.162 -6.937 -5.715 351 HA ASP 47 HA ASP 47 -9.208 -6.155 -3.847 352 1HB ASP 47 HB2 ASP 47 -9.229 -5.387 -6.176 353 2HB ASP 47 HB1 ASP 47 -9.444 -7.045 -6.734 354 H ALA 48 HN ALA 48 -7.897 -9.082 -4.166 355 HA ALA 48 HA ALA 48 -10.365 -10.685 -4.193 356 1HB ALA 48 HB3 ALA 48 -8.135 -11.432 -5.180 357 2HB ALA 48 HB2 ALA 48 -7.577 -11.638 -3.522 358 3HB ALA 48 HB1 ALA 48 -8.928 -12.595 -4.121 359 H THR 49 HN THR 49 -8.371 -9.118 -1.882 360 HA THR 49 HA THR 49 -10.078 -10.178 0.287 361 HB THR 49 HB THR 49 -7.813 -10.562 1.629 362 HG1 THR 49 HG1 THR 49 -6.149 -10.444 0.326 363 1HG2 THR 49 HG21 THR 49 -9.462 -12.382 0.835 364 2HG2 THR 49 HG23 THR 49 -8.472 -12.499 -0.615 365 3HG2 THR 49 HG22 THR 49 -7.779 -12.884 0.957 366 H LYS 50 HN LYS 50 -9.126 -7.592 -1.162 367 HA LYS 50 HA LYS 50 -8.818 -5.355 -0.545 368 1HB LYS 50 HB2 LYS 50 -9.657 -6.189 2.232 369 2HB LYS 50 HB1 LYS 50 -9.879 -4.626 1.455 370 1HG LYS 50 HG2 LYS 50 -11.324 -5.817 -0.271 371 2HG LYS 50 HG1 LYS 50 -11.259 -7.236 0.769 372 1HD LYS 50 HD2 LYS 50 -12.161 -5.840 2.648 373 2HD LYS 50 HD1 LYS 50 -12.331 -4.496 1.523 374 1HE LYS 50 HE2 LYS 50 -14.429 -5.370 1.233 375 2HE LYS 50 HE1 LYS 50 -13.594 -6.439 0.113 376 1HZ LYS 50 HZ2 LYS 50 -13.210 -7.739 2.388 377 2HZ LYS 50 HZ1 LYS 50 -14.696 -6.995 2.739 378 3HZ LYS 50 HZ3 LYS 50 -14.553 -8.003 1.380 379 H THR 51 HN THR 51 -6.510 -6.223 -0.794 380 HA THR 51 HA THR 51 -4.995 -5.366 1.614 381 HB THR 51 HB THR 51 -4.874 -8.104 0.334 382 HG1 THR 51 HG1 THR 51 -5.866 -8.128 2.238 383 1HG2 THR 51 HG21 THR 51 -2.663 -6.736 1.913 384 2HG2 THR 51 HG23 THR 51 -2.742 -8.457 1.580 385 3HG2 THR 51 HG22 THR 51 -2.517 -7.318 0.259 386 H PHE 52 HN PHE 52 -3.714 -3.737 0.859 387 HA PHE 52 HA PHE 52 -3.032 -3.589 -1.974 388 1HB PHE 52 HB2 PHE 52 -3.029 -1.811 0.296 389 2HB PHE 52 HB1 PHE 52 -1.505 -1.715 -0.572 390 HD1 PHE 52 HD1 PHE 52 -1.494 -1.126 -3.017 391 HD2 PHE 52 HD2 PHE 52 -5.066 -1.107 -0.740 392 HE1 PHE 52 HE1 PHE 52 -2.635 0.142 -4.795 393 HE2 PHE 52 HE2 PHE 52 -6.161 0.268 -2.429 394 HZ PHE 52 HZ PHE 52 -4.935 0.930 -4.447 395 H THR 53 HN THR 53 -0.723 -3.281 -2.640 396 HA THR 53 HA THR 53 1.332 -4.342 -0.855 397 HB THR 53 HB THR 53 0.392 -5.969 -3.246 398 HG1 THR 53 HG1 THR 53 -0.603 -6.900 -1.627 399 1HG2 THR 53 HG22 THR 53 2.959 -5.903 -1.713 400 2HG2 THR 53 HG21 THR 53 2.239 -7.492 -1.958 401 3HG2 THR 53 HG23 THR 53 2.661 -6.492 -3.345 402 H VAL 54 HN VAL 54 3.355 -3.718 -1.491 403 HA VAL 54 HA VAL 54 3.704 -2.670 -4.254 404 HB VAL 54 HB VAL 54 3.007 -0.777 -2.728 405 1HG1 VAL 54 HG11 VAL 54 4.232 -1.807 -0.752 406 2HG1 VAL 54 HG13 VAL 54 5.721 -1.199 -1.462 407 3HG1 VAL 54 HG12 VAL 54 4.458 -0.078 -0.964 408 1HG2 VAL 54 HG22 VAL 54 5.783 -0.764 -3.943 409 2HG2 VAL 54 HG21 VAL 54 4.295 -0.181 -4.669 410 3HG2 VAL 54 HG23 VAL 54 5.010 0.682 -3.317 411 H THR 55 HN THR 55 5.895 -2.628 -4.913 412 HA THR 55 HA THR 55 7.888 -3.777 -3.018 413 HB THR 55 HB THR 55 7.328 -4.935 -5.784 414 HG1 THR 55 HG1 THR 55 6.053 -6.174 -4.639 415 1HG2 THR 55 HG21 THR 55 9.527 -5.230 -3.804 416 2HG2 THR 55 HG23 THR 55 8.807 -6.744 -4.344 417 3HG2 THR 55 HG22 THR 55 9.513 -5.637 -5.514 418 H GLU 56 HN GLU 56 9.639 -2.505 -3.083 419 HA GLU 56 HA GLU 56 10.048 -0.442 -5.000 420 1HB GLU 56 HB2 GLU 56 11.228 -1.184 -2.609 421 2HB GLU 56 HB1 GLU 56 12.515 -1.459 -3.771 422 1HG GLU 56 HG2 GLU 56 10.924 1.128 -3.550 423 2HG GLU 56 HG1 GLU 56 12.520 0.873 -2.855 Start of MODEL 37 Raw file had 423 H/Q atoms Entry Start of MODEL 37 1 1H MET 1 HT1 MET 1 -13.844 0.203 5.755 2 2H MET 1 HT3 MET 1 -14.232 1.709 5.071 3 3H MET 1 HT2 MET 1 -15.198 0.353 4.739 4 HA MET 1 HA MET 1 -13.522 -0.667 3.456 5 1HB MET 1 HB2 MET 1 -14.025 2.236 2.905 6 2HB MET 1 HB1 MET 1 -12.890 1.356 1.889 7 1HG MET 1 HG2 MET 1 -15.173 1.288 0.970 8 2HG MET 1 HG1 MET 1 -14.568 -0.302 1.354 9 1HE MET 1 HE2 MET 1 -16.812 -1.309 0.966 10 2HE MET 1 HE1 MET 1 -15.909 -2.024 2.301 11 3HE MET 1 HE3 MET 1 -17.646 -1.762 2.453 12 H THR 2 HN THR 2 -11.701 -1.347 4.533 13 HA THR 2 HA THR 2 -9.401 0.554 4.470 14 HB THR 2 HB THR 2 -9.894 -1.350 6.792 15 HG1 THR 2 HG1 THR 2 -11.487 0.267 6.671 16 1HG2 THR 2 HG21 THR 2 -7.578 -0.060 6.051 17 2HG2 THR 2 HG23 THR 2 -8.352 1.169 7.046 18 3HG2 THR 2 HG22 THR 2 -8.001 -0.418 7.722 19 OH TYR 3 OH TYR 3 -11.547 0.260 -1.051 20 H TYR 3 HN TYR 3 -7.842 -0.304 3.248 21 HA TYR 3 HA TYR 3 -7.799 -3.264 2.881 22 1HB TYR 3 HB2 TYR 3 -6.117 -1.308 1.334 23 2HB TYR 3 HB1 TYR 3 -6.654 -2.907 0.855 24 HD1 TYR 3 HD1 TYR 3 -7.877 0.536 1.585 25 HD2 TYR 3 HD2 TYR 3 -8.736 -3.196 -0.259 26 HE1 TYR 3 HE1 TYR 3 -9.868 1.510 0.535 27 HE2 TYR 3 HE2 TYR 3 -10.723 -2.221 -1.311 28 HH TYR 3 HH TYR 3 -11.586 -0.054 -1.957 29 H LYS 4 HN LYS 4 -5.672 -4.328 2.826 30 HA LYS 4 HA LYS 4 -3.912 -3.211 4.969 31 1HB LYS 4 HB2 LYS 4 -5.119 -5.604 4.945 32 2HB LYS 4 HB1 LYS 4 -3.681 -6.037 4.034 33 1HG LYS 4 HG2 LYS 4 -2.454 -4.713 5.996 34 2HG LYS 4 HG1 LYS 4 -3.914 -5.141 6.881 35 1HD LYS 4 HD2 LYS 4 -3.452 -7.536 5.819 36 2HD LYS 4 HD1 LYS 4 -1.801 -6.931 5.736 37 1HE LYS 4 HE2 LYS 4 -3.509 -7.451 8.149 38 2HE LYS 4 HE1 LYS 4 -1.821 -7.862 7.875 39 1HZ LYS 4 HZ3 LYS 4 -1.825 -5.161 7.756 40 2HZ LYS 4 HZ2 LYS 4 -2.970 -5.476 8.971 41 3HZ LYS 4 HZ1 LYS 4 -1.391 -6.087 9.113 42 H LEU 5 HN LEU 5 -1.977 -2.456 4.357 43 HA LEU 5 HA LEU 5 -1.021 -3.063 1.630 44 1HB LEU 5 HB2 LEU 5 -0.916 -0.739 2.219 45 2HB LEU 5 HB1 LEU 5 -0.169 -1.087 3.768 46 HG LEU 5 HG LEU 5 1.889 -1.919 2.483 47 1HD1 LEU 5 HD12 LEU 5 0.418 -0.631 0.163 48 2HD1 LEU 5 HD11 LEU 5 2.070 -1.227 0.122 49 3HD1 LEU 5 HD13 LEU 5 0.739 -2.354 0.319 50 1HD2 LEU 5 HD21 LEU 5 1.529 0.453 3.419 51 2HD2 LEU 5 HD23 LEU 5 2.771 0.253 2.190 52 3HD2 LEU 5 HD22 LEU 5 1.205 0.919 1.755 53 H ILE 6 HN ILE 6 1.073 -3.876 1.222 54 HA ILE 6 HA ILE 6 2.518 -5.089 3.486 55 HB ILE 6 HB ILE 6 1.984 -6.531 0.880 56 1HG1 ILE 6 HG12 ILE 6 0.640 -6.699 3.591 57 2HG1 ILE 6 HG11 ILE 6 -0.123 -6.402 2.033 58 1HG2 ILE 6 HG23 ILE 6 4.088 -7.030 2.303 59 2HG2 ILE 6 HG22 ILE 6 2.972 -7.670 3.503 60 3HG2 ILE 6 HG21 ILE 6 3.057 -8.397 1.902 61 1HD1 ILE 6 HD2 ILE 6 0.802 -8.720 1.345 62 2HD1 ILE 6 HD1 ILE 6 1.080 -8.981 3.064 63 3HD1 ILE 6 HD3 ILE 6 -0.550 -8.701 2.471 64 H LEU 7 HN LEU 7 4.326 -3.864 3.424 65 HA LEU 7 HA LEU 7 5.439 -2.925 0.901 66 1HB LEU 7 HB2 LEU 7 6.480 -2.761 3.728 67 2HB LEU 7 HB1 LEU 7 7.235 -1.977 2.348 68 HG LEU 7 HG LEU 7 4.351 -1.454 2.519 69 1HD1 LEU 7 HD11 LEU 7 6.204 -0.683 4.791 70 2HD1 LEU 7 HD13 LEU 7 4.718 0.197 4.443 71 3HD1 LEU 7 HD12 LEU 7 4.648 -1.501 4.901 72 1HD2 LEU 7 HD21 LEU 7 6.062 -0.287 1.068 73 2HD2 LEU 7 HD23 LEU 7 5.100 0.809 2.056 74 3HD2 LEU 7 HD22 LEU 7 6.747 0.411 2.534 75 H ASN 8 HN ASN 8 6.721 -4.040 -0.380 76 HA ASN 8 HA ASN 8 8.257 -6.319 0.783 77 1HB ASN 8 HB2 ASN 8 6.713 -5.937 -1.637 78 2HB ASN 8 HB1 ASN 8 8.344 -6.435 -2.032 79 1HD2 ASN 8 HD22 ASN 8 5.843 -9.213 -0.926 80 2HD2 ASN 8 HD21 ASN 8 5.458 -7.749 -1.680 81 H GLY 9 HN GLY 9 9.143 -3.646 1.093 82 1HA GLY 9 HA2 GLY 9 10.961 -2.703 -0.832 83 2HA GLY 9 HA1 GLY 9 11.161 -2.450 0.893 84 H LYS 10 HN LYS 10 13.013 -3.191 -1.399 85 HA LYS 10 HA LYS 10 13.961 -5.865 -0.923 86 1HB LYS 10 HB2 LYS 10 14.495 -4.585 -2.977 87 2HB LYS 10 HB1 LYS 10 15.461 -3.469 -2.018 88 1HG LYS 10 HG2 LYS 10 17.090 -5.106 -1.529 89 2HG LYS 10 HG1 LYS 10 16.004 -6.436 -1.917 90 1HD LYS 10 HD2 LYS 10 17.683 -6.090 -3.712 91 2HD LYS 10 HD1 LYS 10 16.049 -5.795 -4.298 92 1HE LYS 10 HE2 LYS 10 17.810 -4.038 -4.931 93 2HE LYS 10 HE1 LYS 10 16.332 -3.426 -4.201 94 1HZ LYS 10 HZ2 LYS 10 18.824 -3.992 -2.699 95 2HZ LYS 10 HZ1 LYS 10 18.372 -2.456 -3.265 96 3HZ LYS 10 HZ3 LYS 10 17.420 -3.246 -2.102 97 H THR 11 HN THR 11 14.311 -2.892 0.728 98 HA THR 11 HA THR 11 16.303 -4.142 2.565 99 HB THR 11 HB THR 11 16.886 -1.539 2.896 100 HG1 THR 11 HG1 THR 11 15.535 -0.638 1.476 101 1HG2 THR 11 HG23 THR 11 17.757 -3.090 0.429 102 2HG2 THR 11 HG22 THR 11 18.623 -1.742 1.158 103 3HG2 THR 11 HG21 THR 11 18.495 -3.274 2.017 104 H LEU 12 HN LEU 12 13.195 -3.091 2.236 105 HA LEU 12 HA LEU 12 12.911 -2.859 5.172 106 1HB LEU 12 HB2 LEU 12 13.375 -0.532 4.211 107 2HB LEU 12 HB1 LEU 12 11.792 -0.650 3.450 108 HG LEU 12 HG LEU 12 11.112 -1.403 5.949 109 1HD1 LEU 12 HD13 LEU 12 13.638 -0.972 6.518 110 2HD1 LEU 12 HD12 LEU 12 13.173 0.725 6.497 111 3HD1 LEU 12 HD11 LEU 12 12.406 -0.383 7.629 112 1HD2 LEU 12 HD23 LEU 12 11.434 1.383 4.805 113 2HD2 LEU 12 HD22 LEU 12 9.979 0.391 4.836 114 3HD2 LEU 12 HD21 LEU 12 10.604 1.084 6.329 115 H LYS 13 HN LYS 13 11.448 -4.449 5.429 116 HA LYS 13 HA LYS 13 9.058 -4.483 3.635 117 1HB LYS 13 HB2 LYS 13 10.221 -6.641 5.409 118 2HB LYS 13 HB1 LYS 13 8.745 -6.812 4.467 119 1HG LYS 13 HG2 LYS 13 9.935 -7.267 2.602 120 2HG LYS 13 HG1 LYS 13 10.860 -5.780 2.787 121 1HD LYS 13 HD2 LYS 13 12.335 -6.926 4.434 122 2HD LYS 13 HD1 LYS 13 11.431 -8.416 4.184 123 1HE LYS 13 HE2 LYS 13 12.038 -7.648 1.598 124 2HE LYS 13 HE1 LYS 13 13.478 -7.162 2.483 125 1HZ LYS 13 HZ1 LYS 13 12.251 -9.854 2.666 126 2HZ LYS 13 HZ3 LYS 13 13.543 -9.463 1.635 127 3HZ LYS 13 HZ2 LYS 13 13.738 -9.359 3.319 128 H GLY 14 HN GLY 14 7.017 -4.323 4.489 129 1HA GLY 14 HA2 GLY 14 6.533 -4.498 7.360 130 2HA GLY 14 HA1 GLY 14 6.486 -2.842 6.762 131 H GLU 15 HN GLU 15 4.215 -3.010 7.534 132 HA GLU 15 HA GLU 15 2.404 -3.382 5.342 133 1HB GLU 15 HB2 GLU 15 1.106 -5.290 6.218 134 2HB GLU 15 HB1 GLU 15 2.756 -5.775 5.856 135 1HG GLU 15 HG2 GLU 15 3.017 -4.939 8.453 136 2HG GLU 15 HG1 GLU 15 1.380 -5.588 8.469 137 H THR 16 HN THR 16 0.657 -2.126 5.719 138 HA THR 16 HA THR 16 -0.299 -1.725 8.486 139 HB THR 16 HB THR 16 1.331 0.077 8.381 140 HG1 THR 16 HG1 THR 16 -1.321 0.368 8.410 141 1HG2 THR 16 HG23 THR 16 0.300 0.296 5.591 142 2HG2 THR 16 HG22 THR 16 0.606 1.818 6.417 143 3HG2 THR 16 HG21 THR 16 1.909 0.652 6.207 144 H THR 17 HN THR 17 -2.402 -0.751 8.583 145 HA THR 17 HA THR 17 -3.908 -1.051 6.014 146 HB THR 17 HB THR 17 -5.789 -1.754 7.299 147 HG1 THR 17 HG1 THR 17 -6.133 -0.535 8.993 148 1HG2 THR 17 HG22 THR 17 -3.406 -3.065 7.805 149 2HG2 THR 17 HG21 THR 17 -3.909 -2.599 9.425 150 3HG2 THR 17 HG23 THR 17 -4.967 -3.590 8.426 151 H THR 18 HN THR 18 -5.223 0.571 5.279 152 HA THR 18 HA THR 18 -5.449 3.042 6.937 153 HB THR 18 HB THR 18 -3.554 3.111 5.106 154 HG1 THR 18 HG1 THR 18 -4.442 5.308 4.660 155 1HG2 THR 18 HG21 THR 18 -5.440 2.311 3.364 156 2HG2 THR 18 HG23 THR 18 -5.833 4.025 3.377 157 3HG2 THR 18 HG22 THR 18 -4.225 3.494 2.894 158 H GLU 19 HN GLU 19 -7.288 4.293 6.535 159 HA GLU 19 HA GLU 19 -9.521 2.810 5.324 160 1HB GLU 19 HB2 GLU 19 -9.253 5.314 6.959 161 2HB GLU 19 HB1 GLU 19 -10.746 5.006 6.080 162 1HG GLU 19 HG2 GLU 19 -11.052 2.883 7.222 163 2HG GLU 19 HG1 GLU 19 -9.466 3.011 7.978 164 H ALA 20 HN ALA 20 -10.264 3.123 3.318 165 HA ALA 20 HA ALA 20 -9.737 5.725 1.967 166 1HB ALA 20 HB3 ALA 20 -8.474 3.202 1.340 167 2HB ALA 20 HB2 ALA 20 -9.448 3.750 -0.023 168 3HB ALA 20 HB1 ALA 20 -8.184 4.787 0.632 169 H VAL 21 HN VAL 21 -11.445 6.434 0.804 170 HA VAL 21 HA VAL 21 -13.932 4.932 0.927 171 HB VAL 21 HB VAL 21 -14.062 7.329 1.101 172 1HG1 VAL 21 HG12 VAL 21 -12.601 7.302 -1.559 173 2HG1 VAL 21 HG11 VAL 21 -13.348 8.741 -0.875 174 3HG1 VAL 21 HG13 VAL 21 -12.014 7.958 -0.035 175 1HG2 VAL 21 HG23 VAL 21 -15.723 5.936 -0.419 176 2HG2 VAL 21 HG22 VAL 21 -15.820 7.694 -0.393 177 3HG2 VAL 21 HG21 VAL 21 -14.999 6.877 -1.719 178 H ASP 22 HN ASP 22 -11.344 5.117 -1.299 179 HA ASP 22 HA ASP 22 -12.788 3.299 -3.114 180 1HB ASP 22 HB2 ASP 22 -12.814 4.642 -5.003 181 2HB ASP 22 HB1 ASP 22 -13.081 5.858 -3.758 182 H ALA 23 HN ALA 23 -11.196 2.837 -5.079 183 HA ALA 23 HA ALA 23 -8.761 1.816 -3.836 184 1HB ALA 23 HB3 ALA 23 -10.174 1.491 -6.412 185 2HB ALA 23 HB2 ALA 23 -8.423 1.319 -6.490 186 3HB ALA 23 HB1 ALA 23 -9.361 0.287 -5.415 187 H ALA 24 HN ALA 24 -9.553 4.321 -6.194 188 HA ALA 24 HA ALA 24 -6.906 4.984 -6.974 189 1HB ALA 24 HB3 ALA 24 -9.154 5.846 -7.914 190 2HB ALA 24 HB2 ALA 24 -9.073 7.050 -6.631 191 3HB ALA 24 HB1 ALA 24 -7.810 6.982 -7.857 192 H THR 25 HN THR 25 -8.909 6.513 -4.455 193 HA THR 25 HA THR 25 -6.837 8.214 -3.481 194 HB THR 25 HB THR 25 -9.340 8.401 -2.929 195 HG1 THR 25 HG1 THR 25 -7.819 9.621 -1.842 196 1HG2 THR 25 HG22 THR 25 -9.154 5.857 -1.981 197 2HG2 THR 25 HG21 THR 25 -8.743 6.745 -0.519 198 3HG2 THR 25 HG23 THR 25 -10.287 7.024 -1.316 199 H ALA 26 HN ALA 26 -7.630 4.865 -2.825 200 HA ALA 26 HA ALA 26 -6.067 4.544 -0.453 201 1HB ALA 26 HB1 ALA 26 -7.676 2.839 -1.255 202 2HB ALA 26 HB3 ALA 26 -6.623 2.503 -2.624 203 3HB ALA 26 HB2 ALA 26 -6.082 2.144 -0.988 204 H GLU 27 HN GLU 27 -5.252 4.320 -3.884 205 HA GLU 27 HA GLU 27 -2.592 3.379 -3.604 206 1HB GLU 27 HB2 GLU 27 -3.881 5.181 -5.661 207 2HB GLU 27 HB1 GLU 27 -2.238 4.580 -5.812 208 1HG GLU 27 HG2 GLU 27 -3.127 2.242 -5.588 209 2HG GLU 27 HG1 GLU 27 -4.758 2.906 -5.606 210 H LYS 28 HN LYS 28 -3.760 6.725 -3.926 211 HA LYS 28 HA LYS 28 -1.220 7.954 -3.489 212 1HB LYS 28 HB2 LYS 28 -3.678 9.357 -2.560 213 2HB LYS 28 HB1 LYS 28 -2.358 9.954 -3.558 214 1HG LYS 28 HG2 LYS 28 -3.215 8.312 -5.360 215 2HG LYS 28 HG1 LYS 28 -4.675 8.196 -4.383 216 1HD LYS 28 HD2 LYS 28 -4.882 10.690 -4.471 217 2HD LYS 28 HD1 LYS 28 -3.495 10.735 -5.552 218 1HE LYS 28 HE2 LYS 28 -4.866 10.332 -7.296 219 2HE LYS 28 HE1 LYS 28 -5.286 8.779 -6.584 220 1HZ LYS 28 HZ1 LYS 28 -6.579 11.241 -5.626 221 2HZ LYS 28 HZ3 LYS 28 -7.128 10.485 -7.044 222 3HZ LYS 28 HZ2 LYS 28 -7.144 9.641 -5.571 223 H VAL 29 HN VAL 29 -3.802 7.030 -1.263 224 HA VAL 29 HA VAL 29 -2.743 8.246 1.081 225 HB VAL 29 HB VAL 29 -4.352 5.694 0.785 226 1HG1 VAL 29 HG11 VAL 29 -3.626 7.390 3.191 227 2HG1 VAL 29 HG13 VAL 29 -4.978 6.262 3.196 228 3HG1 VAL 29 HG12 VAL 29 -3.336 5.668 2.966 229 1HG2 VAL 29 HG22 VAL 29 -5.063 8.292 0.178 230 2HG2 VAL 29 HG21 VAL 29 -6.197 7.027 0.643 231 3HG2 VAL 29 HG23 VAL 29 -5.584 8.150 1.853 232 H PHE 30 HN PHE 30 -2.471 4.828 0.098 233 HA PHE 30 HA PHE 30 -0.480 4.192 2.047 234 1HB PHE 30 HB2 PHE 30 -1.417 2.905 -0.498 235 2HB PHE 30 HB1 PHE 30 0.029 2.293 0.289 236 HD1 PHE 30 HD1 PHE 30 -0.334 2.126 3.035 237 HD2 PHE 30 HD2 PHE 30 -3.379 1.773 0.071 238 HE1 PHE 30 HE1 PHE 30 -1.750 0.899 4.623 239 HE2 PHE 30 HE2 PHE 30 -4.763 0.527 1.662 240 HZ PHE 30 HZ PHE 30 -3.946 0.051 3.923 241 H LYS 31 HN LYS 31 -0.249 5.362 -1.277 242 HA LYS 31 HA LYS 31 2.586 5.013 -1.544 243 1HB LYS 31 HB2 LYS 31 1.021 5.492 -3.439 244 2HB LYS 31 HB1 LYS 31 0.870 7.140 -2.843 245 1HG LYS 31 HG2 LYS 31 3.657 6.555 -2.948 246 2HG LYS 31 HG1 LYS 31 2.969 5.995 -4.466 247 1HD LYS 31 HD2 LYS 31 2.450 8.760 -3.316 248 2HD LYS 31 HD1 LYS 31 3.712 8.416 -4.489 249 1HE LYS 31 HE2 LYS 31 2.229 8.136 -6.213 250 2HE LYS 31 HE1 LYS 31 1.013 7.391 -5.186 251 1HZ LYS 31 HZ3 LYS 31 1.424 10.107 -4.477 252 2HZ LYS 31 HZ2 LYS 31 1.027 9.967 -6.122 253 3HZ LYS 31 HZ1 LYS 31 -0.007 9.319 -4.941 254 H GLN 32 HN GLN 32 0.609 7.651 -0.298 255 HA GLN 32 HA GLN 32 2.665 9.569 0.070 256 1HB GLN 32 HB2 GLN 32 0.179 9.929 0.403 257 2HB GLN 32 HB1 GLN 32 0.336 9.104 1.950 258 1HG GLN 32 HG2 GLN 32 0.538 11.467 2.400 259 2HG GLN 32 HG1 GLN 32 2.157 10.787 2.539 260 1HE2 GLN 32 HE22 GLN 32 1.435 12.691 -1.033 261 2HE2 GLN 32 HE21 GLN 32 0.299 11.580 -0.433 262 OH TYR 33 OH TYR 33 5.178 3.225 8.467 263 H TYR 33 HN TYR 33 1.747 6.748 1.905 264 HA TYR 33 HA TYR 33 3.417 7.319 4.202 265 1HB TYR 33 HB2 TYR 33 1.481 5.750 4.273 266 2HB TYR 33 HB1 TYR 33 2.366 4.655 3.217 267 HD1 TYR 33 HD1 TYR 33 4.450 3.567 4.014 268 HD2 TYR 33 HD2 TYR 33 2.087 5.965 6.611 269 HE1 TYR 33 HE1 TYR 33 5.620 2.624 5.945 270 HE2 TYR 33 HE2 TYR 33 3.258 5.020 8.549 271 HH TYR 33 HH TYR 33 5.662 2.451 8.171 272 H ALA 34 HN ALA 34 3.731 4.740 1.782 273 HA ALA 34 HA ALA 34 6.347 3.957 2.273 274 1HB ALA 34 HB3 ALA 34 4.524 3.840 0.009 275 2HB ALA 34 HB2 ALA 34 6.199 3.967 -0.515 276 3HB ALA 34 HB1 ALA 34 5.706 2.652 0.548 277 H ASN 35 HN ASN 35 5.249 6.829 0.595 278 HA ASN 35 HA ASN 35 7.693 7.639 -0.594 279 1HB ASN 35 HB2 ASN 35 5.543 8.753 -1.050 280 2HB ASN 35 HB1 ASN 35 5.513 9.377 0.597 281 1HD2 ASN 35 HD22 ASN 35 8.839 10.838 -1.168 282 2HD2 ASN 35 HD21 ASN 35 8.672 9.193 -0.784 283 H ASP 36 HN ASP 36 6.425 8.215 2.661 284 HA ASP 36 HA ASP 36 8.742 9.783 3.472 285 1HB ASP 36 HB2 ASP 36 6.258 8.775 4.750 286 2HB ASP 36 HB1 ASP 36 7.624 9.068 5.823 287 H ASN 37 HN ASN 37 8.691 6.737 2.597 288 HA ASN 37 HA ASN 37 10.632 5.878 4.712 289 1HB ASN 37 HB2 ASN 37 8.343 4.395 3.472 290 2HB ASN 37 HB1 ASN 37 9.773 3.497 3.976 291 1HD2 ASN 37 HD22 ASN 37 7.167 4.823 6.756 292 2HD2 ASN 37 HD21 ASN 37 6.873 4.979 5.093 293 H GLY 38 HN GLY 38 9.972 6.370 1.416 294 1HA GLY 38 HA2 GLY 38 11.540 6.308 -0.367 295 2HA GLY 38 HA1 GLY 38 12.686 5.517 0.712 296 H VAL 39 HN VAL 39 9.471 4.795 -0.654 297 HA VAL 39 HA VAL 39 10.561 2.208 -1.648 298 HB VAL 39 HB VAL 39 7.909 2.393 -0.208 299 1HG1 VAL 39 HG13 VAL 39 9.690 0.098 -1.100 300 2HG1 VAL 39 HG12 VAL 39 8.242 -0.097 -0.116 301 3HG1 VAL 39 HG11 VAL 39 8.112 0.516 -1.762 302 1HG2 VAL 39 HG23 VAL 39 10.667 1.667 0.816 303 2HG2 VAL 39 HG22 VAL 39 9.566 2.879 1.463 304 3HG2 VAL 39 HG21 VAL 39 9.190 1.167 1.633 305 H ASP 40 HN ASP 40 10.330 4.028 -3.451 306 HA ASP 40 HA ASP 40 7.586 3.922 -4.616 307 1HB ASP 40 HB2 ASP 40 9.975 5.631 -5.365 308 2HB ASP 40 HB1 ASP 40 8.375 5.737 -6.097 309 H GLY 41 HN GLY 41 7.253 2.314 -6.012 310 1HA GLY 41 HA2 GLY 41 9.073 1.888 -8.249 311 2HA GLY 41 HA1 GLY 41 9.074 0.544 -7.111 312 H GLU 42 HN GLU 42 7.614 -1.005 -7.457 313 HA GLU 42 HA GLU 42 5.395 -0.450 -9.366 314 1HB GLU 42 HB2 GLU 42 6.131 -3.152 -8.292 315 2HB GLU 42 HB1 GLU 42 5.350 -2.758 -9.816 316 1HG GLU 42 HG2 GLU 42 7.593 -1.445 -10.290 317 2HG GLU 42 HG1 GLU 42 8.253 -2.522 -9.061 318 CH2 TRP 43 CH2 TRP 43 2.132 2.432 -2.055 319 H TRP 43 HN TRP 43 3.260 -0.830 -8.829 320 HA TRP 43 HA TRP 43 2.719 -1.406 -5.938 321 1HB TRP 43 HB2 TRP 43 1.575 0.671 -7.780 322 2HB TRP 43 HB1 TRP 43 0.671 0.123 -6.380 323 HD1 TRP 43 HD1 TRP 43 4.175 1.496 -7.256 324 HE1 TRP 43 HE1 TRP 43 4.937 2.847 -5.242 325 HE3 TRP 43 HE3 TRP 43 0.372 0.543 -4.198 326 HZ2 TRP 43 HZ2 TRP 43 3.993 3.383 -2.478 327 HZ3 TRP 43 HZ3 TRP 43 0.283 1.383 -1.906 328 HH2 TRP 43 HH2 TRP 43 2.091 2.793 -1.039 329 H THR 44 HN THR 44 1.298 -2.969 -5.528 330 HA THR 44 HA THR 44 -0.375 -3.996 -7.792 331 HB THR 44 HB THR 44 -0.107 -6.279 -6.655 332 HG1 THR 44 HG1 THR 44 2.091 -5.806 -5.380 333 1HG2 THR 44 HG21 THR 44 1.547 -5.140 -8.494 334 2HG2 THR 44 HG23 THR 44 2.671 -5.299 -7.147 335 3HG2 THR 44 HG22 THR 44 1.869 -6.724 -7.797 336 OH TYR 45 OH TYR 45 -8.851 -1.362 -2.964 337 H TYR 45 HN TYR 45 -2.458 -4.502 -7.378 338 HA TYR 45 HA TYR 45 -3.514 -3.854 -4.645 339 1HB TYR 45 HB2 TYR 45 -4.123 -2.417 -6.729 340 2HB TYR 45 HB1 TYR 45 -5.113 -3.793 -7.215 341 HD1 TYR 45 HD1 TYR 45 -6.511 -4.722 -4.854 342 HD2 TYR 45 HD2 TYR 45 -5.418 -0.733 -5.825 343 HE1 TYR 45 HE1 TYR 45 -8.262 -3.884 -3.382 344 HE2 TYR 45 HE2 TYR 45 -7.205 0.105 -4.387 345 HH TYR 45 HH TYR 45 -9.343 -2.117 -2.633 346 H ASP 46 HN ASP 46 -4.408 -5.528 -3.582 347 HA ASP 46 HA ASP 46 -5.015 -8.018 -5.111 348 1HB ASP 46 HB2 ASP 46 -3.439 -7.918 -3.031 349 2HB ASP 46 HB1 ASP 46 -4.937 -7.850 -2.111 350 H ASP 47 HN ASP 47 -7.005 -6.753 -5.810 351 HA ASP 47 HA ASP 47 -9.093 -6.143 -3.950 352 1HB ASP 47 HB2 ASP 47 -9.067 -5.303 -6.273 353 2HB ASP 47 HB1 ASP 47 -9.318 -6.943 -6.865 354 H ALA 48 HN ALA 48 -7.722 -9.045 -4.522 355 HA ALA 48 HA ALA 48 -10.148 -10.689 -4.575 356 1HB ALA 48 HB1 ALA 48 -7.411 -11.096 -5.131 357 2HB ALA 48 HB3 ALA 48 -7.791 -12.140 -3.766 358 3HB ALA 48 HB2 ALA 48 -8.710 -12.277 -5.262 359 H THR 49 HN THR 49 -8.172 -9.198 -2.199 360 HA THR 49 HA THR 49 -9.838 -10.409 -0.077 361 HB THR 49 HB THR 49 -7.742 -10.958 1.282 362 HG1 THR 49 HG1 THR 49 -6.775 -10.103 -1.222 363 1HG2 THR 49 HG23 THR 49 -9.002 -12.641 -0.325 364 2HG2 THR 49 HG22 THR 49 -7.598 -12.405 -1.362 365 3HG2 THR 49 HG21 THR 49 -7.395 -13.065 0.258 366 H LYS 50 HN LYS 50 -9.071 -7.713 -1.382 367 HA LYS 50 HA LYS 50 -8.811 -5.498 -0.651 368 1HB LYS 50 HB2 LYS 50 -9.744 -6.648 1.992 369 2HB LYS 50 HB1 LYS 50 -9.815 -4.959 1.506 370 1HG LYS 50 HG2 LYS 50 -11.389 -5.470 -0.269 371 2HG LYS 50 HG1 LYS 50 -11.208 -7.199 0.003 372 1HD LYS 50 HD2 LYS 50 -12.057 -6.825 2.362 373 2HD LYS 50 HD1 LYS 50 -12.429 -5.169 1.896 374 1HE LYS 50 HE2 LYS 50 -13.581 -7.712 0.718 375 2HE LYS 50 HE1 LYS 50 -14.447 -6.453 1.589 376 1HZ LYS 50 HZ1 LYS 50 -13.664 -4.926 -0.257 377 2HZ LYS 50 HZ3 LYS 50 -13.278 -6.337 -1.119 378 3HZ LYS 50 HZ2 LYS 50 -14.882 -6.046 -0.641 379 H THR 51 HN THR 51 -6.459 -6.333 -0.906 380 HA THR 51 HA THR 51 -5.001 -5.478 1.543 381 HB THR 51 HB THR 51 -4.739 -8.191 0.199 382 HG1 THR 51 HG1 THR 51 -4.456 -7.693 2.901 383 1HG2 THR 51 HG22 THR 51 -2.731 -6.838 2.046 384 2HG2 THR 51 HG21 THR 51 -2.698 -8.528 1.571 385 3HG2 THR 51 HG23 THR 51 -2.412 -7.274 0.373 386 H PHE 52 HN PHE 52 -3.710 -3.838 0.829 387 HA PHE 52 HA PHE 52 -2.961 -3.655 -1.987 388 1HB PHE 52 HB2 PHE 52 -2.977 -1.909 0.319 389 2HB PHE 52 HB1 PHE 52 -1.455 -1.798 -0.553 390 HD1 PHE 52 HD1 PHE 52 -1.467 -1.196 -3.007 391 HD2 PHE 52 HD2 PHE 52 -5.012 -1.168 -0.689 392 HE1 PHE 52 HE1 PHE 52 -2.613 0.115 -4.751 393 HE2 PHE 52 HE2 PHE 52 -6.112 0.236 -2.347 394 HZ PHE 52 HZ PHE 52 -4.900 0.925 -4.364 395 H THR 53 HN THR 53 -0.654 -3.409 -2.629 396 HA THR 53 HA THR 53 1.386 -4.437 -0.804 397 HB THR 53 HB THR 53 0.480 -6.110 -3.177 398 HG1 THR 53 HG1 THR 53 -0.658 -6.232 -1.156 399 1HG2 THR 53 HG23 THR 53 2.902 -6.231 -1.357 400 2HG2 THR 53 HG22 THR 53 2.244 -7.689 -2.093 401 3HG2 THR 53 HG21 THR 53 2.863 -6.393 -3.110 402 H VAL 54 HN VAL 54 3.280 -3.504 -1.312 403 HA VAL 54 HA VAL 54 3.695 -2.607 -4.141 404 HB VAL 54 HB VAL 54 3.061 -0.703 -2.606 405 1HG1 VAL 54 HG13 VAL 54 4.234 -1.715 -0.619 406 2HG1 VAL 54 HG12 VAL 54 5.762 -1.242 -1.348 407 3HG1 VAL 54 HG11 VAL 54 4.590 -0.017 -0.882 408 1HG2 VAL 54 HG21 VAL 54 5.819 -0.767 -3.854 409 2HG2 VAL 54 HG23 VAL 54 4.338 -0.134 -4.550 410 3HG2 VAL 54 HG22 VAL 54 5.104 0.700 -3.208 411 H THR 55 HN THR 55 5.856 -2.632 -4.837 412 HA THR 55 HA THR 55 7.849 -3.855 -2.994 413 HB THR 55 HB THR 55 7.198 -4.986 -5.750 414 HG1 THR 55 HG1 THR 55 6.051 -5.231 -3.411 415 1HG2 THR 55 HG21 THR 55 9.409 -5.368 -3.807 416 2HG2 THR 55 HG23 THR 55 8.609 -6.856 -4.306 417 3HG2 THR 55 HG22 THR 55 9.341 -5.802 -5.510 418 H GLU 56 HN GLU 56 9.611 -2.598 -3.087 419 HA GLU 56 HA GLU 56 10.049 -0.595 -5.073 420 1HB GLU 56 HB2 GLU 56 11.190 -1.248 -2.642 421 2HB GLU 56 HB1 GLU 56 12.488 -1.584 -3.778 422 1HG GLU 56 HG2 GLU 56 10.917 1.014 -3.627 423 2HG GLU 56 HG1 GLU 56 12.553 0.778 -3.023 Start of MODEL 38 Raw file had 423 H/Q atoms Entry Start of MODEL 38 1 1H MET 1 HT1 MET 1 -13.603 2.280 4.839 2 2H MET 1 HT3 MET 1 -14.150 2.409 3.237 3 3H MET 1 HT2 MET 1 -15.066 1.551 4.381 4 HA MET 1 HA MET 1 -13.763 -0.278 4.303 5 1HB MET 1 HB2 MET 1 -13.459 1.131 1.657 6 2HB MET 1 HB1 MET 1 -12.747 -0.457 1.921 7 1HG MET 1 HG2 MET 1 -14.888 -1.401 2.478 8 2HG MET 1 HG1 MET 1 -15.641 0.171 2.504 9 1HE MET 1 HE3 MET 1 -13.654 -2.239 0.600 10 2HE MET 1 HE2 MET 1 -15.174 -3.041 0.204 11 3HE MET 1 HE1 MET 1 -14.243 -2.241 -1.063 12 H THR 2 HN THR 2 -11.726 -1.221 4.494 13 HA THR 2 HA THR 2 -9.378 0.622 4.385 14 HB THR 2 HB THR 2 -9.805 -1.313 6.686 15 HG1 THR 2 HG1 THR 2 -11.220 0.779 6.073 16 1HG2 THR 2 HG23 THR 2 -7.539 0.001 5.964 17 2HG2 THR 2 HG22 THR 2 -8.344 1.280 6.865 18 3HG2 THR 2 HG21 THR 2 -7.978 -0.251 7.649 19 OH TYR 3 OH TYR 3 -11.570 0.190 -0.940 20 H TYR 3 HN TYR 3 -7.640 -0.265 3.435 21 HA TYR 3 HA TYR 3 -7.700 -3.222 2.928 22 1HB TYR 3 HB2 TYR 3 -6.065 -1.242 1.359 23 2HB TYR 3 HB1 TYR 3 -6.572 -2.857 0.888 24 HD1 TYR 3 HD1 TYR 3 -7.918 0.529 1.715 25 HD2 TYR 3 HD2 TYR 3 -8.608 -3.165 -0.269 26 HE1 TYR 3 HE1 TYR 3 -9.950 1.454 0.699 27 HE2 TYR 3 HE2 TYR 3 -10.635 -2.241 -1.293 28 HH TYR 3 HH TYR 3 -12.317 -0.047 -0.385 29 H LYS 4 HN LYS 4 -5.518 -4.234 2.763 30 HA LYS 4 HA LYS 4 -3.738 -3.113 4.894 31 1HB LYS 4 HB2 LYS 4 -4.949 -5.506 4.931 32 2HB LYS 4 HB1 LYS 4 -3.531 -5.957 3.997 33 1HG LYS 4 HG2 LYS 4 -2.299 -4.565 5.956 34 2HG LYS 4 HG1 LYS 4 -3.725 -5.094 6.846 35 1HD LYS 4 HD2 LYS 4 -3.261 -7.441 6.107 36 2HD LYS 4 HD1 LYS 4 -1.788 -6.877 5.328 37 1HE LYS 4 HE2 LYS 4 -2.153 -7.599 8.068 38 2HE LYS 4 HE1 LYS 4 -0.687 -7.013 7.293 39 1HZ LYS 4 HZ2 LYS 4 -1.455 -4.744 7.670 40 2HZ LYS 4 HZ1 LYS 4 -2.835 -5.334 8.461 41 3HZ LYS 4 HZ3 LYS 4 -1.295 -5.604 9.126 42 H LEU 5 HN LEU 5 -1.885 -2.278 4.154 43 HA LEU 5 HA LEU 5 -0.940 -2.941 1.454 44 1HB LEU 5 HB2 LEU 5 -0.810 -0.617 2.096 45 2HB LEU 5 HB1 LEU 5 0.008 -1.006 3.601 46 HG LEU 5 HG LEU 5 1.992 -1.821 2.214 47 1HD1 LEU 5 HD11 LEU 5 0.378 -0.550 -0.021 48 2HD1 LEU 5 HD13 LEU 5 2.056 -1.052 -0.153 49 3HD1 LEU 5 HD12 LEU 5 0.801 -2.255 0.096 50 1HD2 LEU 5 HD21 LEU 5 1.720 0.522 3.193 51 2HD2 LEU 5 HD23 LEU 5 2.851 0.367 1.853 52 3HD2 LEU 5 HD22 LEU 5 1.246 1.028 1.576 53 H ILE 6 HN ILE 6 1.168 -3.757 1.016 54 HA ILE 6 HA ILE 6 2.595 -5.035 3.262 55 HB ILE 6 HB ILE 6 2.130 -6.368 0.586 56 1HG1 ILE 6 HG12 ILE 6 0.716 -6.647 3.253 57 2HG1 ILE 6 HG11 ILE 6 -0.005 -6.300 1.686 58 1HG2 ILE 6 HG23 ILE 6 4.200 -6.918 2.038 59 2HG2 ILE 6 HG22 ILE 6 3.061 -7.608 3.185 60 3HG2 ILE 6 HG21 ILE 6 3.186 -8.272 1.560 61 1HD1 ILE 6 HD3 ILE 6 0.949 -8.584 0.939 62 2HD1 ILE 6 HD2 ILE 6 1.188 -8.905 2.654 63 3HD1 ILE 6 HD1 ILE 6 -0.428 -8.613 2.031 64 H LEU 7 HN LEU 7 4.390 -3.792 3.291 65 HA LEU 7 HA LEU 7 5.577 -2.766 0.832 66 1HB LEU 7 HB2 LEU 7 6.412 -2.650 3.722 67 2HB LEU 7 HB1 LEU 7 7.368 -1.941 2.429 68 HG LEU 7 HG LEU 7 4.480 -1.261 2.388 69 1HD1 LEU 7 HD13 LEU 7 6.355 -0.321 4.582 70 2HD1 LEU 7 HD12 LEU 7 4.854 0.499 4.168 71 3HD1 LEU 7 HD11 LEU 7 4.815 -1.148 4.789 72 1HD2 LEU 7 HD21 LEU 7 6.158 -0.293 0.833 73 2HD2 LEU 7 HD23 LEU 7 5.420 0.954 1.832 74 3HD2 LEU 7 HD22 LEU 7 7.038 0.371 2.206 75 H ASN 8 HN ASN 8 6.824 -3.919 -0.458 76 HA ASN 8 HA ASN 8 8.385 -6.181 0.712 77 1HB ASN 8 HB2 ASN 8 6.823 -5.828 -1.693 78 2HB ASN 8 HB1 ASN 8 8.462 -6.276 -2.119 79 1HD2 ASN 8 HD22 ASN 8 6.093 -9.161 -1.076 80 2HD2 ASN 8 HD21 ASN 8 5.683 -7.721 -1.864 81 H GLY 9 HN GLY 9 9.351 -3.595 1.119 82 1HA GLY 9 HA2 GLY 9 11.117 -2.548 -0.794 83 2HA GLY 9 HA1 GLY 9 11.394 -2.437 0.935 84 H LYS 10 HN LYS 10 13.174 -2.991 -1.440 85 HA LYS 10 HA LYS 10 14.077 -5.654 -1.501 86 1HB LYS 10 HB2 LYS 10 15.176 -3.025 -2.183 87 2HB LYS 10 HB1 LYS 10 16.416 -4.164 -1.677 88 1HG LYS 10 HG2 LYS 10 16.107 -4.374 -4.085 89 2HG LYS 10 HG1 LYS 10 15.486 -5.831 -3.322 90 1HD LYS 10 HD2 LYS 10 13.307 -4.051 -3.343 91 2HD LYS 10 HD1 LYS 10 14.073 -3.834 -4.911 92 1HE LYS 10 HE2 LYS 10 12.483 -5.635 -5.142 93 2HE LYS 10 HE1 LYS 10 14.088 -6.356 -5.153 94 1HZ LYS 10 HZ3 LYS 10 12.514 -6.099 -2.668 95 2HZ LYS 10 HZ2 LYS 10 12.345 -7.436 -3.703 96 3HZ LYS 10 HZ1 LYS 10 13.846 -7.107 -2.977 97 H THR 11 HN THR 11 14.792 -3.082 0.783 98 HA THR 11 HA THR 11 15.968 -5.124 2.607 99 HB THR 11 HB THR 11 17.391 -2.968 3.343 100 HG1 THR 11 HG1 THR 11 16.588 -1.535 1.911 101 1HG2 THR 11 HG21 THR 11 17.991 -4.526 0.801 102 2HG2 THR 11 HG23 THR 11 19.171 -3.651 1.772 103 3HG2 THR 11 HG22 THR 11 18.389 -5.088 2.423 104 H LEU 12 HN LEU 12 13.414 -3.248 2.148 105 HA LEU 12 HA LEU 12 13.089 -2.757 5.076 106 1HB LEU 12 HB2 LEU 12 13.764 -0.639 3.828 107 2HB LEU 12 HB1 LEU 12 12.215 -0.745 2.999 108 HG LEU 12 HG LEU 12 11.258 -0.983 5.457 109 1HD1 LEU 12 HD11 LEU 12 13.871 -0.860 6.152 110 2HD1 LEU 12 HD13 LEU 12 13.498 0.858 6.155 111 3HD1 LEU 12 HD12 LEU 12 12.591 -0.240 7.189 112 1HD2 LEU 12 HD22 LEU 12 12.269 1.604 4.229 113 2HD2 LEU 12 HD21 LEU 12 10.694 0.863 3.967 114 3HD2 LEU 12 HD23 LEU 12 11.102 1.528 5.545 115 H LYS 13 HN LYS 13 11.672 -4.472 5.255 116 HA LYS 13 HA LYS 13 9.221 -4.404 3.565 117 1HB LYS 13 HB2 LYS 13 10.423 -6.524 5.338 118 2HB LYS 13 HB1 LYS 13 8.814 -6.673 4.653 119 1HG LYS 13 HG2 LYS 13 9.614 -7.114 2.565 120 2HG LYS 13 HG1 LYS 13 10.844 -5.864 2.679 121 1HD LYS 13 HD2 LYS 13 11.968 -8.010 2.520 122 2HD LYS 13 HD1 LYS 13 12.188 -7.413 4.158 123 1HE LYS 13 HE2 LYS 13 11.549 -9.749 4.298 124 2HE LYS 13 HE1 LYS 13 10.179 -8.792 4.843 125 1HZ LYS 13 HZ3 LYS 13 9.778 -8.992 2.173 126 2HZ LYS 13 HZ2 LYS 13 10.412 -10.516 2.569 127 3HZ LYS 13 HZ1 LYS 13 9.023 -9.943 3.361 128 H GLY 14 HN GLY 14 7.207 -4.108 4.434 129 1HA GLY 14 HA2 GLY 14 6.846 -4.019 7.352 130 2HA GLY 14 HA1 GLY 14 6.674 -2.469 6.536 131 H GLU 15 HN GLU 15 4.460 -2.675 7.471 132 HA GLU 15 HA GLU 15 2.560 -3.410 5.461 133 1HB GLU 15 HB2 GLU 15 1.528 -5.350 6.378 134 2HB GLU 15 HB1 GLU 15 3.249 -5.698 6.420 135 1HG GLU 15 HG2 GLU 15 1.477 -4.848 8.729 136 2HG GLU 15 HG1 GLU 15 2.419 -6.325 8.575 137 H THR 16 HN THR 16 0.482 -2.649 5.974 138 HA THR 16 HA THR 16 -0.324 -1.880 8.629 139 HB THR 16 HB THR 16 1.484 -0.128 8.165 140 HG1 THR 16 HG1 THR 16 -0.137 1.554 8.693 141 1HG2 THR 16 HG21 THR 16 0.313 0.060 5.668 142 2HG2 THR 16 HG23 THR 16 -0.472 1.378 6.532 143 3HG2 THR 16 HG22 THR 16 1.283 1.335 6.397 144 H THR 17 HN THR 17 -2.318 -0.421 8.522 145 HA THR 17 HA THR 17 -3.800 -0.926 5.959 146 HB THR 17 HB THR 17 -5.720 -1.640 7.172 147 HG1 THR 17 HG1 THR 17 -4.536 -0.784 9.579 148 1HG2 THR 17 HG21 THR 17 -3.372 -2.968 7.740 149 2HG2 THR 17 HG23 THR 17 -3.892 -2.489 9.351 150 3HG2 THR 17 HG22 THR 17 -4.947 -3.475 8.342 151 H THR 18 HN THR 18 -5.048 0.718 5.183 152 HA THR 18 HA THR 18 -5.217 3.219 6.823 153 HB THR 18 HB THR 18 -3.446 3.202 4.867 154 HG1 THR 18 HG1 THR 18 -3.841 5.341 4.881 155 1HG2 THR 18 HG23 THR 18 -5.431 2.367 3.277 156 2HG2 THR 18 HG22 THR 18 -5.848 4.077 3.283 157 3HG2 THR 18 HG21 THR 18 -4.272 3.558 2.695 158 H GLU 19 HN GLU 19 -7.059 4.484 6.497 159 HA GLU 19 HA GLU 19 -9.378 2.992 5.478 160 1HB GLU 19 HB2 GLU 19 -9.438 5.823 6.508 161 2HB GLU 19 HB1 GLU 19 -10.707 4.606 6.575 162 1HG GLU 19 HG2 GLU 19 -9.943 4.357 8.732 163 2HG GLU 19 HG1 GLU 19 -8.761 3.310 7.951 164 H ALA 20 HN ALA 20 -10.192 3.218 3.496 165 HA ALA 20 HA ALA 20 -9.775 5.779 2.036 166 1HB ALA 20 HB2 ALA 20 -8.563 3.206 1.400 167 2HB ALA 20 HB1 ALA 20 -9.527 3.827 0.063 168 3HB ALA 20 HB3 ALA 20 -8.217 4.797 0.729 169 H VAL 21 HN VAL 21 -11.428 6.305 0.625 170 HA VAL 21 HA VAL 21 -13.924 4.793 1.006 171 HB VAL 21 HB VAL 21 -14.121 7.185 1.110 172 1HG1 VAL 21 HG11 VAL 21 -12.686 7.117 -1.564 173 2HG1 VAL 21 HG13 VAL 21 -13.473 8.557 -0.924 174 3HG1 VAL 21 HG12 VAL 21 -12.110 7.844 -0.066 175 1HG2 VAL 21 HG21 VAL 21 -15.830 5.784 -0.257 176 2HG2 VAL 21 HG23 VAL 21 -15.857 7.532 -0.468 177 3HG2 VAL 21 HG22 VAL 21 -15.081 6.511 -1.675 178 H ASP 22 HN ASP 22 -11.416 5.024 -1.313 179 HA ASP 22 HA ASP 22 -12.850 3.109 -3.044 180 1HB ASP 22 HB2 ASP 22 -12.698 4.398 -5.042 181 2HB ASP 22 HB1 ASP 22 -13.356 5.496 -3.831 182 H ALA 23 HN ALA 23 -11.307 2.548 -4.975 183 HA ALA 23 HA ALA 23 -8.805 1.670 -3.771 184 1HB ALA 23 HB2 ALA 23 -10.248 1.233 -6.325 185 2HB ALA 23 HB1 ALA 23 -8.496 1.062 -6.390 186 3HB ALA 23 HB3 ALA 23 -9.437 0.071 -5.280 187 H ALA 24 HN ALA 24 -9.777 4.119 -6.098 188 HA ALA 24 HA ALA 24 -7.201 4.843 -7.054 189 1HB ALA 24 HB2 ALA 24 -9.748 5.705 -7.539 190 2HB ALA 24 HB1 ALA 24 -9.091 7.073 -6.645 191 3HB ALA 24 HB3 ALA 24 -8.303 6.526 -8.121 192 H THR 25 HN THR 25 -9.097 6.422 -4.476 193 HA THR 25 HA THR 25 -6.994 8.135 -3.611 194 HB THR 25 HB THR 25 -9.470 8.306 -2.945 195 HG1 THR 25 HG1 THR 25 -7.250 8.359 -1.185 196 1HG2 THR 25 HG22 THR 25 -9.193 5.772 -1.974 197 2HG2 THR 25 HG21 THR 25 -8.759 6.694 -0.540 198 3HG2 THR 25 HG23 THR 25 -10.334 6.925 -1.293 199 H ALA 26 HN ALA 26 -7.677 4.778 -2.928 200 HA ALA 26 HA ALA 26 -5.995 4.529 -0.609 201 1HB ALA 26 HB1 ALA 26 -7.657 2.811 -1.236 202 2HB ALA 26 HB3 ALA 26 -6.722 2.437 -2.680 203 3HB ALA 26 HB2 ALA 26 -6.050 2.108 -1.086 204 H GLU 27 HN GLU 27 -5.403 4.275 -4.072 205 HA GLU 27 HA GLU 27 -2.738 3.284 -3.948 206 1HB GLU 27 HB2 GLU 27 -4.171 5.021 -5.963 207 2HB GLU 27 HB1 GLU 27 -2.528 4.451 -6.206 208 1HG GLU 27 HG2 GLU 27 -3.356 2.097 -5.870 209 2HG GLU 27 HG1 GLU 27 -4.996 2.735 -5.817 210 H LYS 28 HN LYS 28 -4.029 6.571 -3.866 211 HA LYS 28 HA LYS 28 -1.382 7.795 -3.760 212 1HB LYS 28 HB2 LYS 28 -3.784 9.287 -2.829 213 2HB LYS 28 HB1 LYS 28 -2.487 9.807 -3.898 214 1HG LYS 28 HG2 LYS 28 -3.424 8.132 -5.604 215 2HG LYS 28 HG1 LYS 28 -4.839 8.021 -4.565 216 1HD LYS 28 HD2 LYS 28 -5.044 10.533 -4.699 217 2HD LYS 28 HD1 LYS 28 -3.752 10.522 -5.894 218 1HE LYS 28 HE2 LYS 28 -5.874 10.511 -7.076 219 2HE LYS 28 HE1 LYS 28 -5.130 8.930 -7.274 220 1HZ LYS 28 HZ2 LYS 28 -6.967 9.371 -5.031 221 2HZ LYS 28 HZ1 LYS 28 -7.606 9.138 -6.587 222 3HZ LYS 28 HZ3 LYS 28 -6.627 7.942 -5.884 223 H VAL 29 HN VAL 29 -3.932 7.049 -1.430 224 HA VAL 29 HA VAL 29 -2.829 8.341 0.833 225 HB VAL 29 HB VAL 29 -4.423 5.772 0.657 226 1HG1 VAL 29 HG13 VAL 29 -3.556 7.487 2.994 227 2HG1 VAL 29 HG12 VAL 29 -4.988 6.466 3.083 228 3HG1 VAL 29 HG11 VAL 29 -3.406 5.742 2.811 229 1HG2 VAL 29 HG22 VAL 29 -5.166 8.334 -0.002 230 2HG2 VAL 29 HG21 VAL 29 -6.281 7.098 0.574 231 3HG2 VAL 29 HG23 VAL 29 -5.606 8.271 1.701 232 H PHE 30 HN PHE 30 -2.505 4.905 -0.051 233 HA PHE 30 HA PHE 30 -0.517 4.332 1.913 234 1HB PHE 30 HB2 PHE 30 -1.424 3.006 -0.617 235 2HB PHE 30 HB1 PHE 30 0.050 2.438 0.154 236 HD1 PHE 30 HD1 PHE 30 -0.250 2.257 2.889 237 HD2 PHE 30 HD2 PHE 30 -3.368 1.869 0.007 238 HE1 PHE 30 HE1 PHE 30 -1.603 1.000 4.512 239 HE2 PHE 30 HE2 PHE 30 -4.696 0.604 1.631 240 HZ PHE 30 HZ PHE 30 -3.813 0.137 3.870 241 H LYS 31 HN LYS 31 -0.261 5.394 -1.452 242 HA LYS 31 HA LYS 31 2.565 5.146 -1.697 243 1HB LYS 31 HB2 LYS 31 1.081 5.602 -3.615 244 2HB LYS 31 HB1 LYS 31 0.748 7.206 -2.972 245 1HG LYS 31 HG2 LYS 31 3.049 7.878 -3.234 246 2HG LYS 31 HG1 LYS 31 3.550 6.229 -3.591 247 1HD LYS 31 HD2 LYS 31 2.056 6.297 -5.629 248 2HD LYS 31 HD1 LYS 31 1.780 8.004 -5.303 249 1HE LYS 31 HE2 LYS 31 4.532 7.819 -5.158 250 2HE LYS 31 HE1 LYS 31 4.149 6.673 -6.437 251 1HZ LYS 31 HZ2 LYS 31 2.818 8.432 -7.499 252 2HZ LYS 31 HZ1 LYS 31 3.352 9.526 -6.315 253 3HZ LYS 31 HZ3 LYS 31 4.467 8.821 -7.385 254 H GLN 32 HN GLN 32 0.546 7.709 -0.379 255 HA GLN 32 HA GLN 32 2.616 9.637 0.020 256 1HB GLN 32 HB2 GLN 32 0.108 10.008 0.249 257 2HB GLN 32 HB1 GLN 32 0.216 9.225 1.821 258 1HG GLN 32 HG2 GLN 32 2.233 10.990 2.108 259 2HG GLN 32 HG1 GLN 32 1.252 11.890 0.955 260 1HE2 GLN 32 HE22 GLN 32 -1.448 12.397 3.240 261 2HE2 GLN 32 HE21 GLN 32 -1.040 12.328 1.593 262 OH TYR 33 OH TYR 33 4.927 3.115 8.332 263 H TYR 33 HN TYR 33 1.659 6.784 1.764 264 HA TYR 33 HA TYR 33 3.238 7.387 4.138 265 1HB TYR 33 HB2 TYR 33 1.275 5.899 4.264 266 2HB TYR 33 HB1 TYR 33 2.064 4.766 3.173 267 HD1 TYR 33 HD1 TYR 33 4.079 3.527 3.906 268 HD2 TYR 33 HD2 TYR 33 1.977 6.072 6.586 269 HE1 TYR 33 HE1 TYR 33 5.243 2.494 5.797 270 HE2 TYR 33 HE2 TYR 33 3.140 5.038 8.480 271 HH TYR 33 HH TYR 33 5.406 3.804 8.797 272 H ALA 34 HN ALA 34 3.539 4.837 1.682 273 HA ALA 34 HA ALA 34 6.059 3.864 2.275 274 1HB ALA 34 HB1 ALA 34 4.699 4.337 -0.366 275 2HB ALA 34 HB3 ALA 34 6.309 3.632 -0.297 276 3HB ALA 34 HB2 ALA 34 4.959 2.816 0.481 277 H ASN 35 HN ASN 35 5.285 6.853 0.584 278 HA ASN 35 HA ASN 35 7.864 7.571 -0.315 279 1HB ASN 35 HB2 ASN 35 5.713 8.801 -0.792 280 2HB ASN 35 HB1 ASN 35 5.813 9.484 0.828 281 1HD2 ASN 35 HD22 ASN 35 7.484 12.046 -1.117 282 2HD2 ASN 35 HD21 ASN 35 5.927 11.538 -0.672 283 H ASP 36 HN ASP 36 6.362 8.017 2.852 284 HA ASP 36 HA ASP 36 8.681 9.408 3.944 285 1HB ASP 36 HB2 ASP 36 6.185 8.235 5.179 286 2HB ASP 36 HB1 ASP 36 7.452 8.989 6.146 287 H ASN 37 HN ASN 37 8.572 6.451 2.863 288 HA ASN 37 HA ASN 37 10.267 5.351 5.071 289 1HB ASN 37 HB2 ASN 37 7.970 4.093 3.621 290 2HB ASN 37 HB1 ASN 37 9.308 3.069 4.139 291 1HD2 ASN 37 HD22 ASN 37 6.706 4.545 6.883 292 2HD2 ASN 37 HD21 ASN 37 6.554 4.917 5.234 293 H GLY 38 HN GLY 38 10.001 6.192 1.838 294 1HA GLY 38 HA2 GLY 38 11.623 6.043 0.131 295 2HA GLY 38 HA1 GLY 38 12.653 5.158 1.252 296 H VAL 39 HN VAL 39 9.466 4.585 -0.248 297 HA VAL 39 HA VAL 39 10.542 2.091 -1.445 298 HB VAL 39 HB VAL 39 8.026 2.115 0.238 299 1HG1 VAL 39 HG11 VAL 39 9.606 -0.047 -1.190 300 2HG1 VAL 39 HG13 VAL 39 8.352 -0.391 -0.003 301 3HG1 VAL 39 HG12 VAL 39 7.942 0.436 -1.502 302 1HG2 VAL 39 HG21 VAL 39 10.847 1.169 0.837 303 2HG2 VAL 39 HG23 VAL 39 9.918 2.375 1.724 304 3HG2 VAL 39 HG22 VAL 39 9.442 0.681 1.780 305 H ASP 40 HN ASP 40 10.255 3.517 -3.338 306 HA ASP 40 HA ASP 40 7.412 3.485 -4.289 307 1HB ASP 40 HB2 ASP 40 9.490 5.558 -5.024 308 2HB ASP 40 HB1 ASP 40 7.776 5.580 -5.430 309 H GLY 41 HN GLY 41 7.116 2.327 -6.075 310 1HA GLY 41 HA2 GLY 41 8.887 2.342 -8.327 311 2HA GLY 41 HA1 GLY 41 9.164 0.881 -7.383 312 H GLU 42 HN GLU 42 7.666 -0.750 -7.431 313 HA GLU 42 HA GLU 42 5.500 -0.449 -9.456 314 1HB GLU 42 HB2 GLU 42 6.915 -2.816 -8.258 315 2HB GLU 42 HB1 GLU 42 5.431 -3.005 -9.179 316 1HG GLU 42 HG2 GLU 42 7.490 -3.263 -10.593 317 2HG GLU 42 HG1 GLU 42 6.460 -1.938 -11.129 318 CH2 TRP 43 CH2 TRP 43 2.064 2.563 -2.206 319 H TRP 43 HN TRP 43 3.371 -0.801 -8.933 320 HA TRP 43 HA TRP 43 2.773 -1.292 -6.037 321 1HB TRP 43 HB2 TRP 43 1.720 0.773 -7.937 322 2HB TRP 43 HB1 TRP 43 0.747 0.253 -6.573 323 HD1 TRP 43 HD1 TRP 43 4.320 1.543 -7.301 324 HE1 TRP 43 HE1 TRP 43 5.011 2.903 -5.268 325 HE3 TRP 43 HE3 TRP 43 0.362 0.688 -4.410 326 HZ2 TRP 43 HZ2 TRP 43 3.961 3.473 -2.555 327 HZ3 TRP 43 HZ3 TRP 43 0.191 1.546 -2.128 328 HH2 TRP 43 HH2 TRP 43 1.987 2.935 -1.196 329 H THR 44 HN THR 44 1.199 -2.716 -5.582 330 HA THR 44 HA THR 44 -0.382 -3.818 -7.881 331 HB THR 44 HB THR 44 -0.245 -6.032 -6.477 332 HG1 THR 44 HG1 THR 44 1.839 -4.356 -5.494 333 1HG2 THR 44 HG23 THR 44 1.079 -5.543 -8.631 334 2HG2 THR 44 HG22 THR 44 2.375 -4.968 -7.588 335 3HG2 THR 44 HG21 THR 44 1.861 -6.650 -7.505 336 OH TYR 45 OH TYR 45 -8.884 -1.408 -3.094 337 H TYR 45 HN TYR 45 -2.336 -5.022 -7.138 338 HA TYR 45 HA TYR 45 -3.514 -3.968 -4.612 339 1HB TYR 45 HB2 TYR 45 -4.064 -2.552 -6.719 340 2HB TYR 45 HB1 TYR 45 -5.052 -3.925 -7.219 341 HD1 TYR 45 HD1 TYR 45 -6.532 -4.814 -4.884 342 HD2 TYR 45 HD2 TYR 45 -5.369 -0.848 -5.872 343 HE1 TYR 45 HE1 TYR 45 -8.307 -3.939 -3.464 344 HE2 TYR 45 HE2 TYR 45 -7.186 0.025 -4.492 345 HH TYR 45 HH TYR 45 -8.505 -0.776 -2.479 346 H ASP 46 HN ASP 46 -4.468 -5.600 -3.534 347 HA ASP 46 HA ASP 46 -5.104 -8.106 -5.036 348 1HB ASP 46 HB2 ASP 46 -3.483 -8.050 -3.008 349 2HB ASP 46 HB1 ASP 46 -4.944 -7.892 -2.039 350 H ASP 47 HN ASP 47 -7.120 -7.039 -5.750 351 HA ASP 47 HA ASP 47 -9.155 -6.268 -3.874 352 1HB ASP 47 HB2 ASP 47 -9.377 -5.486 -6.118 353 2HB ASP 47 HB1 ASP 47 -9.246 -7.116 -6.773 354 H ALA 48 HN ALA 48 -7.821 -9.240 -4.438 355 HA ALA 48 HA ALA 48 -10.250 -10.856 -4.246 356 1HB ALA 48 HB1 ALA 48 -8.062 -11.566 -5.352 357 2HB ALA 48 HB3 ALA 48 -7.422 -11.780 -3.725 358 3HB ALA 48 HB2 ALA 48 -8.792 -12.744 -4.266 359 H THR 49 HN THR 49 -8.272 -9.184 -2.040 360 HA THR 49 HA THR 49 -9.787 -10.353 0.206 361 HB THR 49 HB THR 49 -7.534 -10.704 1.472 362 HG1 THR 49 HG1 THR 49 -6.663 -9.555 -0.595 363 1HG2 THR 49 HG21 THR 49 -8.997 -12.562 0.324 364 2HG2 THR 49 HG23 THR 49 -7.793 -12.487 -0.958 365 3HG2 THR 49 HG22 THR 49 -7.312 -12.937 0.675 366 H LYS 50 HN LYS 50 -9.122 -7.708 -1.259 367 HA LYS 50 HA LYS 50 -8.834 -5.456 -0.647 368 1HB LYS 50 HB2 LYS 50 -9.773 -6.523 2.032 369 2HB LYS 50 HB1 LYS 50 -9.774 -4.833 1.544 370 1HG LYS 50 HG2 LYS 50 -11.512 -5.134 0.012 371 2HG LYS 50 HG1 LYS 50 -11.172 -6.846 -0.197 372 1HD LYS 50 HD2 LYS 50 -11.985 -7.281 2.107 373 2HD LYS 50 HD1 LYS 50 -12.346 -5.568 2.294 374 1HE LYS 50 HE2 LYS 50 -14.055 -5.636 0.645 375 2HE LYS 50 HE1 LYS 50 -13.491 -7.174 0.005 376 1HZ LYS 50 HZ2 LYS 50 -14.075 -7.539 2.704 377 2HZ LYS 50 HZ1 LYS 50 -15.385 -6.710 2.012 378 3HZ LYS 50 HZ3 LYS 50 -14.878 -8.193 1.358 379 H THR 51 HN THR 51 -6.484 -6.419 -0.854 380 HA THR 51 HA THR 51 -5.008 -5.451 1.548 381 HB THR 51 HB THR 51 -4.801 -8.190 0.272 382 HG1 THR 51 HG1 THR 51 -4.340 -8.105 2.828 383 1HG2 THR 51 HG21 THR 51 -2.670 -6.813 1.952 384 2HG2 THR 51 HG23 THR 51 -2.690 -8.515 1.527 385 3HG2 THR 51 HG22 THR 51 -2.456 -7.303 0.276 386 H PHE 52 HN PHE 52 -3.679 -3.846 0.839 387 HA PHE 52 HA PHE 52 -3.006 -3.656 -2.000 388 1HB PHE 52 HB2 PHE 52 -3.019 -1.899 0.291 389 2HB PHE 52 HB1 PHE 52 -1.503 -1.776 -0.589 390 HD1 PHE 52 HD1 PHE 52 -1.516 -1.155 -3.023 391 HD2 PHE 52 HD2 PHE 52 -5.080 -1.218 -0.730 392 HE1 PHE 52 HE1 PHE 52 -2.686 0.115 -4.781 393 HE2 PHE 52 HE2 PHE 52 -6.201 0.165 -2.396 394 HZ PHE 52 HZ PHE 52 -4.996 0.868 -4.410 395 H THR 53 HN THR 53 -0.712 -3.336 -2.669 396 HA THR 53 HA THR 53 1.364 -4.382 -0.889 397 HB THR 53 HB THR 53 0.494 -5.976 -3.330 398 HG1 THR 53 HG1 THR 53 0.496 -7.491 -1.382 399 1HG2 THR 53 HG21 THR 53 3.061 -5.772 -1.966 400 2HG2 THR 53 HG23 THR 53 2.354 -7.364 -1.711 401 3HG2 THR 53 HG22 THR 53 2.637 -6.779 -3.348 402 H VAL 54 HN VAL 54 3.365 -3.687 -1.499 403 HA VAL 54 HA VAL 54 3.699 -2.584 -4.246 404 HB VAL 54 HB VAL 54 2.995 -0.734 -2.675 405 1HG1 VAL 54 HG12 VAL 54 4.197 -1.805 -0.716 406 2HG1 VAL 54 HG11 VAL 54 5.699 -1.194 -1.400 407 3HG1 VAL 54 HG13 VAL 54 4.439 -0.074 -0.889 408 1HG2 VAL 54 HG21 VAL 54 5.775 -0.679 -3.873 409 2HG2 VAL 54 HG23 VAL 54 4.290 -0.072 -4.581 410 3HG2 VAL 54 HG22 VAL 54 5.002 0.746 -3.200 411 H THR 55 HN THR 55 5.902 -2.511 -4.901 412 HA THR 55 HA THR 55 7.893 -3.698 -3.033 413 HB THR 55 HB THR 55 7.313 -4.829 -5.805 414 HG1 THR 55 HG1 THR 55 6.230 -5.151 -3.415 415 1HG2 THR 55 HG23 THR 55 9.530 -5.140 -3.847 416 2HG2 THR 55 HG22 THR 55 8.808 -6.650 -4.398 417 3HG2 THR 55 HG21 THR 55 9.502 -5.529 -5.562 418 H GLU 56 HN GLU 56 9.744 -2.575 -3.145 419 HA GLU 56 HA GLU 56 10.128 -0.488 -5.108 420 1HB GLU 56 HB2 GLU 56 11.226 -1.120 -2.630 421 2HB GLU 56 HB1 GLU 56 12.565 -1.343 -3.745 422 1HG GLU 56 HG2 GLU 56 10.816 1.138 -3.571 423 2HG GLU 56 HG1 GLU 56 12.458 1.001 -2.947 Start of MODEL 39 Raw file had 423 H/Q atoms Entry Start of MODEL 39 1 1H MET 1 HT2 MET 1 -13.360 -1.369 5.206 2 2H MET 1 HT1 MET 1 -14.522 -0.153 5.446 3 3H MET 1 HT3 MET 1 -14.808 -1.391 4.319 4 HA MET 1 HA MET 1 -13.473 -0.499 2.745 5 1HB MET 1 HB2 MET 1 -14.391 1.790 4.483 6 2HB MET 1 HB1 MET 1 -13.548 2.063 2.964 7 1HG MET 1 HG2 MET 1 -15.266 1.240 1.689 8 2HG MET 1 HG1 MET 1 -15.791 0.123 2.919 9 1HE MET 1 HE1 MET 1 -16.760 0.704 4.982 10 2HE MET 1 HE3 MET 1 -16.444 2.363 5.487 11 3HE MET 1 HE2 MET 1 -18.096 1.841 5.157 12 H THR 2 HN THR 2 -11.698 -1.617 4.437 13 HA THR 2 HA THR 2 -9.481 0.380 4.440 14 HB THR 2 HB THR 2 -9.821 -1.628 6.691 15 HG1 THR 2 HG1 THR 2 -11.500 -0.361 7.079 16 1HG2 THR 2 HG23 THR 2 -7.642 -0.160 6.108 17 2HG2 THR 2 HG22 THR 2 -8.588 1.098 6.896 18 3HG2 THR 2 HG21 THR 2 -8.172 -0.370 7.774 19 OH TYR 3 OH TYR 3 -11.451 0.434 -1.035 20 H TYR 3 HN TYR 3 -7.850 -0.374 3.237 21 HA TYR 3 HA TYR 3 -7.710 -3.312 2.739 22 1HB TYR 3 HB2 TYR 3 -6.048 -1.258 1.311 23 2HB TYR 3 HB1 TYR 3 -6.572 -2.832 0.743 24 HD1 TYR 3 HD1 TYR 3 -7.750 0.592 1.561 25 HD2 TYR 3 HD2 TYR 3 -8.703 -3.094 -0.334 26 HE1 TYR 3 HE1 TYR 3 -9.731 1.618 0.549 27 HE2 TYR 3 HE2 TYR 3 -10.682 -2.059 -1.347 28 HH TYR 3 HH TYR 3 -11.893 0.952 -0.358 29 H LYS 4 HN LYS 4 -5.564 -4.306 2.678 30 HA LYS 4 HA LYS 4 -3.814 -3.192 4.832 31 1HB LYS 4 HB2 LYS 4 -5.010 -5.594 4.829 32 2HB LYS 4 HB1 LYS 4 -3.584 -6.024 3.900 33 1HG LYS 4 HG2 LYS 4 -2.366 -4.663 5.878 34 2HG LYS 4 HG1 LYS 4 -3.796 -5.197 6.758 35 1HD LYS 4 HD2 LYS 4 -3.325 -7.538 5.879 36 2HD LYS 4 HD1 LYS 4 -1.780 -6.926 5.300 37 1HE LYS 4 HE2 LYS 4 -2.642 -7.539 8.053 38 2HE LYS 4 HE1 LYS 4 -1.020 -7.481 7.375 39 1HZ LYS 4 HZ3 LYS 4 -1.354 -4.973 7.375 40 2HZ LYS 4 HZ2 LYS 4 -2.652 -5.265 8.431 41 3HZ LYS 4 HZ1 LYS 4 -1.079 -5.733 8.869 42 H LEU 5 HN LEU 5 -1.928 -2.362 4.141 43 HA LEU 5 HA LEU 5 -0.987 -3.022 1.428 44 1HB LEU 5 HB2 LEU 5 -0.872 -0.690 2.002 45 2HB LEU 5 HB1 LEU 5 -0.090 -1.033 3.536 46 HG LEU 5 HG LEU 5 1.937 -1.871 2.225 47 1HD1 LEU 5 HD12 LEU 5 0.416 -0.638 -0.094 48 2HD1 LEU 5 HD11 LEU 5 2.074 -1.215 -0.154 49 3HD1 LEU 5 HD13 LEU 5 0.760 -2.354 0.088 50 1HD2 LEU 5 HD21 LEU 5 1.595 0.514 3.121 51 2HD2 LEU 5 HD23 LEU 5 2.799 0.306 1.855 52 3HD2 LEU 5 HD22 LEU 5 1.212 0.953 1.461 53 H ILE 6 HN ILE 6 1.074 -3.883 0.994 54 HA ILE 6 HA ILE 6 2.490 -5.153 3.255 55 HB ILE 6 HB ILE 6 1.817 -6.357 0.570 56 1HG1 ILE 6 HG12 ILE 6 1.342 -7.581 3.278 57 2HG1 ILE 6 HG11 ILE 6 0.234 -6.358 2.680 58 1HG2 ILE 6 HG21 ILE 6 3.995 -6.916 2.506 59 2HG2 ILE 6 HG23 ILE 6 3.104 -8.328 1.954 60 3HG2 ILE 6 HG22 ILE 6 3.903 -7.283 0.787 61 1HD1 ILE 6 HD2 ILE 6 1.002 -8.843 1.112 62 2HD1 ILE 6 HD1 ILE 6 -0.456 -8.708 2.089 63 3HD1 ILE 6 HD3 ILE 6 -0.234 -7.667 0.688 64 H LEU 7 HN LEU 7 4.260 -3.881 3.368 65 HA LEU 7 HA LEU 7 5.529 -2.810 0.972 66 1HB LEU 7 HB2 LEU 7 6.201 -2.730 3.902 67 2HB LEU 7 HB1 LEU 7 7.288 -2.069 2.687 68 HG LEU 7 HG LEU 7 4.440 -1.268 2.434 69 1HD1 LEU 7 HD12 LEU 7 6.220 -0.259 4.680 70 2HD1 LEU 7 HD11 LEU 7 4.676 0.449 4.216 71 3HD1 LEU 7 HD13 LEU 7 4.734 -1.181 4.882 72 1HD2 LEU 7 HD23 LEU 7 6.356 -0.445 1.008 73 2HD2 LEU 7 HD22 LEU 7 5.466 0.846 1.809 74 3HD2 LEU 7 HD21 LEU 7 7.024 0.326 2.443 75 H ASN 8 HN ASN 8 6.751 -4.019 -0.311 76 HA ASN 8 HA ASN 8 8.313 -6.250 0.907 77 1HB ASN 8 HB2 ASN 8 6.827 -5.888 -1.553 78 2HB ASN 8 HB1 ASN 8 8.470 -6.382 -1.902 79 1HD2 ASN 8 HD22 ASN 8 5.964 -9.171 -0.877 80 2HD2 ASN 8 HD21 ASN 8 5.605 -7.718 -1.667 81 H GLY 9 HN GLY 9 9.240 -3.641 1.318 82 1HA GLY 9 HA2 GLY 9 11.073 -2.644 -0.586 83 2HA GLY 9 HA1 GLY 9 11.247 -2.425 1.150 84 H LYS 10 HN LYS 10 13.109 -3.170 -1.172 85 HA LYS 10 HA LYS 10 14.039 -5.843 -0.738 86 1HB LYS 10 HB2 LYS 10 14.607 -4.192 -2.657 87 2HB LYS 10 HB1 LYS 10 15.845 -3.579 -1.566 88 1HG LYS 10 HG2 LYS 10 16.415 -6.158 -1.290 89 2HG LYS 10 HG1 LYS 10 15.625 -6.280 -2.858 90 1HD LYS 10 HD2 LYS 10 17.949 -4.443 -2.180 91 2HD LYS 10 HD1 LYS 10 18.048 -5.914 -3.142 92 1HE LYS 10 HE2 LYS 10 16.051 -4.617 -4.458 93 2HE LYS 10 HE1 LYS 10 16.979 -3.241 -3.877 94 1HZ LYS 10 HZ3 LYS 10 18.737 -5.191 -4.882 95 2HZ LYS 10 HZ2 LYS 10 17.537 -4.881 -6.044 96 3HZ LYS 10 HZ1 LYS 10 18.477 -3.606 -5.433 97 H THR 11 HN THR 11 14.462 -2.895 0.990 98 HA THR 11 HA THR 11 16.340 -4.274 2.858 99 HB THR 11 HB THR 11 16.997 -1.704 3.285 100 HG1 THR 11 HG1 THR 11 16.017 -0.556 1.808 101 1HG2 THR 11 HG22 THR 11 18.545 -3.503 2.370 102 2HG2 THR 11 HG21 THR 11 17.892 -3.159 0.771 103 3HG2 THR 11 HG23 THR 11 18.795 -1.921 1.638 104 H LEU 12 HN LEU 12 13.291 -3.031 2.459 105 HA LEU 12 HA LEU 12 12.945 -2.878 5.404 106 1HB LEU 12 HB2 LEU 12 13.442 -0.545 4.455 107 2HB LEU 12 HB1 LEU 12 11.865 -0.651 3.681 108 HG LEU 12 HG LEU 12 11.123 -1.389 6.147 109 1HD1 LEU 12 HD13 LEU 12 13.448 -1.267 7.025 110 2HD1 LEU 12 HD12 LEU 12 13.511 0.438 6.588 111 3HD1 LEU 12 HD11 LEU 12 12.393 -0.112 7.833 112 1HD2 LEU 12 HD23 LEU 12 11.646 1.455 5.216 113 2HD2 LEU 12 HD22 LEU 12 10.184 0.514 4.934 114 3HD2 LEU 12 HD21 LEU 12 10.598 1.029 6.566 115 H LYS 13 HN LYS 13 11.550 -4.563 5.502 116 HA LYS 13 HA LYS 13 9.193 -4.552 3.686 117 1HB LYS 13 HB2 LYS 13 10.128 -6.720 5.575 118 2HB LYS 13 HB1 LYS 13 8.872 -6.870 4.353 119 1HG LYS 13 HG2 LYS 13 10.450 -7.411 2.829 120 2HG LYS 13 HG1 LYS 13 11.175 -5.827 3.050 121 1HD LYS 13 HD2 LYS 13 12.854 -7.540 3.521 122 2HD LYS 13 HD1 LYS 13 12.443 -6.708 5.013 123 1HE LYS 13 HE2 LYS 13 12.310 -9.496 4.510 124 2HE LYS 13 HE1 LYS 13 11.775 -8.649 5.954 125 1HZ LYS 13 HZ3 LYS 13 10.107 -9.013 3.532 126 2HZ LYS 13 HZ2 LYS 13 10.045 -10.020 4.895 127 3HZ LYS 13 HZ1 LYS 13 9.613 -8.386 5.030 128 H GLY 14 HN GLY 14 7.169 -4.172 4.441 129 1HA GLY 14 HA2 GLY 14 6.582 -4.390 7.312 130 2HA GLY 14 HA1 GLY 14 6.554 -2.746 6.684 131 H GLU 15 HN GLU 15 4.271 -2.900 7.408 132 HA GLU 15 HA GLU 15 2.502 -3.267 5.195 133 1HB GLU 15 HB2 GLU 15 1.155 -5.166 6.205 134 2HB GLU 15 HB1 GLU 15 2.715 -5.635 5.542 135 1HG GLU 15 HG2 GLU 15 3.028 -4.815 8.303 136 2HG GLU 15 HG1 GLU 15 1.791 -6.061 8.183 137 H THR 16 HN THR 16 0.713 -2.059 5.564 138 HA THR 16 HA THR 16 -0.221 -1.655 8.342 139 HB THR 16 HB THR 16 1.463 0.162 8.026 140 HG1 THR 16 HG1 THR 16 -1.173 1.167 7.761 141 1HG2 THR 16 HG23 THR 16 0.457 0.257 5.401 142 2HG2 THR 16 HG22 THR 16 -0.214 1.687 6.177 143 3HG2 THR 16 HG21 THR 16 1.530 1.444 6.132 144 H THR 17 HN THR 17 -2.343 -0.760 8.467 145 HA THR 17 HA THR 17 -3.877 -1.087 5.917 146 HB THR 17 HB THR 17 -5.707 -1.899 7.218 147 HG1 THR 17 HG1 THR 17 -5.837 -1.303 9.387 148 1HG2 THR 17 HG23 THR 17 -3.261 -3.119 7.659 149 2HG2 THR 17 HG22 THR 17 -3.755 -2.705 9.297 150 3HG2 THR 17 HG21 THR 17 -4.788 -3.720 8.295 151 H THR 18 HN THR 18 -5.055 0.574 5.140 152 HA THR 18 HA THR 18 -5.419 2.985 6.884 153 HB THR 18 HB THR 18 -3.624 3.140 4.952 154 HG1 THR 18 HG1 THR 18 -4.144 5.257 5.032 155 1HG2 THR 18 HG23 THR 18 -5.540 2.270 3.302 156 2HG2 THR 18 HG22 THR 18 -6.061 3.950 3.383 157 3HG2 THR 18 HG21 THR 18 -4.451 3.555 2.787 158 H GLU 19 HN GLU 19 -7.335 4.144 6.581 159 HA GLU 19 HA GLU 19 -9.483 2.577 5.264 160 1HB GLU 19 HB2 GLU 19 -9.645 3.459 7.665 161 2HB GLU 19 HB1 GLU 19 -9.839 5.054 6.947 162 1HG GLU 19 HG2 GLU 19 -11.792 4.270 5.674 163 2HG GLU 19 HG1 GLU 19 -11.578 2.644 6.317 164 H ALA 20 HN ALA 20 -10.410 3.208 3.415 165 HA ALA 20 HA ALA 20 -10.131 6.044 2.550 166 1HB ALA 20 HB2 ALA 20 -8.919 3.670 1.295 167 2HB ALA 20 HB1 ALA 20 -9.789 4.719 0.183 168 3HB ALA 20 HB3 ALA 20 -8.471 5.363 1.155 169 H VAL 21 HN VAL 21 -11.529 6.471 0.592 170 HA VAL 21 HA VAL 21 -14.123 5.077 0.986 171 HB VAL 21 HB VAL 21 -13.819 7.653 1.016 172 1HG1 VAL 21 HG13 VAL 21 -12.507 7.385 -1.261 173 2HG1 VAL 21 HG12 VAL 21 -14.121 7.379 -1.965 174 3HG1 VAL 21 HG11 VAL 21 -13.573 8.768 -1.031 175 1HG2 VAL 21 HG23 VAL 21 -15.881 6.088 -0.532 176 2HG2 VAL 21 HG22 VAL 21 -16.041 6.867 1.040 177 3HG2 VAL 21 HG21 VAL 21 -16.000 7.842 -0.427 178 H ASP 22 HN ASP 22 -11.533 5.358 -1.250 179 HA ASP 22 HA ASP 22 -12.934 3.496 -3.073 180 1HB ASP 22 HB2 ASP 22 -12.198 4.929 -5.053 181 2HB ASP 22 HB1 ASP 22 -13.541 5.562 -4.106 182 H ALA 23 HN ALA 23 -11.420 2.685 -4.789 183 HA ALA 23 HA ALA 23 -8.920 1.890 -3.558 184 1HB ALA 23 HB1 ALA 23 -10.371 1.307 -6.078 185 2HB ALA 23 HB3 ALA 23 -8.622 1.107 -6.132 186 3HB ALA 23 HB2 ALA 23 -9.575 0.204 -4.959 187 H ALA 24 HN ALA 24 -9.877 4.331 -5.857 188 HA ALA 24 HA ALA 24 -7.304 4.899 -6.965 189 1HB ALA 24 HB3 ALA 24 -9.775 6.591 -6.567 190 2HB ALA 24 HB2 ALA 24 -8.330 7.216 -7.355 191 3HB ALA 24 HB1 ALA 24 -9.196 5.852 -8.056 192 H THR 25 HN THR 25 -9.045 6.566 -4.340 193 HA THR 25 HA THR 25 -6.840 8.216 -3.590 194 HB THR 25 HB THR 25 -9.384 8.334 -2.855 195 HG1 THR 25 HG1 THR 25 -7.543 8.792 -0.800 196 1HG2 THR 25 HG21 THR 25 -8.998 6.052 -1.572 197 2HG2 THR 25 HG23 THR 25 -8.178 7.075 -0.398 198 3HG2 THR 25 HG22 THR 25 -9.878 7.346 -0.765 199 H ALA 26 HN ALA 26 -7.586 4.887 -2.928 200 HA ALA 26 HA ALA 26 -5.898 4.597 -0.604 201 1HB ALA 26 HB2 ALA 26 -6.716 2.524 -2.658 202 2HB ALA 26 HB1 ALA 26 -6.009 2.176 -1.083 203 3HB ALA 26 HB3 ALA 26 -7.604 2.916 -1.190 204 H GLU 27 HN GLU 27 -5.371 4.293 -4.075 205 HA GLU 27 HA GLU 27 -2.724 3.259 -3.997 206 1HB GLU 27 HB2 GLU 27 -4.144 5.037 -5.988 207 2HB GLU 27 HB1 GLU 27 -2.533 4.393 -6.263 208 1HG GLU 27 HG2 GLU 27 -3.470 2.078 -5.881 209 2HG GLU 27 HG1 GLU 27 -5.074 2.802 -5.826 210 H LYS 28 HN LYS 28 -3.963 6.560 -3.884 211 HA LYS 28 HA LYS 28 -1.295 7.747 -3.847 212 1HB LYS 28 HB2 LYS 28 -3.907 9.058 -3.074 213 2HB LYS 28 HB1 LYS 28 -2.434 9.851 -3.620 214 1HG LYS 28 HG2 LYS 28 -2.649 8.738 -5.823 215 2HG LYS 28 HG1 LYS 28 -4.123 7.944 -5.278 216 1HD LYS 28 HD2 LYS 28 -5.091 10.237 -4.826 217 2HD LYS 28 HD1 LYS 28 -3.673 10.924 -5.610 218 1HE LYS 28 HE2 LYS 28 -4.542 8.944 -7.384 219 2HE LYS 28 HE1 LYS 28 -6.029 9.688 -6.811 220 1HZ LYS 28 HZ3 LYS 28 -4.455 11.821 -7.254 221 2HZ LYS 28 HZ2 LYS 28 -3.962 10.769 -8.494 222 3HZ LYS 28 HZ1 LYS 28 -5.597 11.211 -8.354 223 H VAL 29 HN VAL 29 -3.832 7.123 -1.455 224 HA VAL 29 HA VAL 29 -2.619 8.399 0.766 225 HB VAL 29 HB VAL 29 -4.432 5.991 0.571 226 1HG1 VAL 29 HG11 VAL 29 -3.218 7.348 2.984 227 2HG1 VAL 29 HG13 VAL 29 -4.767 6.516 3.089 228 3HG1 VAL 29 HG12 VAL 29 -3.317 5.624 2.636 229 1HG2 VAL 29 HG23 VAL 29 -5.096 8.477 0.033 230 2HG2 VAL 29 HG22 VAL 29 -6.154 7.518 1.062 231 3HG2 VAL 29 HG21 VAL 29 -5.046 8.683 1.780 232 H PHE 30 HN PHE 30 -2.522 4.921 -0.020 233 HA PHE 30 HA PHE 30 -0.537 4.257 1.899 234 1HB PHE 30 HB2 PHE 30 -1.512 2.997 -0.633 235 2HB PHE 30 HB1 PHE 30 -0.030 2.381 0.086 236 HD1 PHE 30 HD1 PHE 30 -0.260 2.156 2.823 237 HD2 PHE 30 HD2 PHE 30 -3.463 1.890 0.022 238 HE1 PHE 30 HE1 PHE 30 -1.596 0.895 4.456 239 HE2 PHE 30 HE2 PHE 30 -4.773 0.626 1.660 240 HZ PHE 30 HZ PHE 30 -3.837 0.086 3.858 241 H LYS 31 HN LYS 31 -0.253 5.386 -1.434 242 HA LYS 31 HA LYS 31 2.567 5.025 -1.696 243 1HB LYS 31 HB2 LYS 31 1.153 5.533 -3.624 244 2HB LYS 31 HB1 LYS 31 0.761 7.108 -2.944 245 1HG LYS 31 HG2 LYS 31 3.648 6.641 -3.071 246 2HG LYS 31 HG1 LYS 31 2.888 6.562 -4.656 247 1HD LYS 31 HD2 LYS 31 1.810 8.749 -4.255 248 2HD LYS 31 HD1 LYS 31 2.555 8.828 -2.663 249 1HE LYS 31 HE2 LYS 31 3.869 10.122 -4.306 250 2HE LYS 31 HE1 LYS 31 4.797 8.752 -3.708 251 1HZ LYS 31 HZ2 LYS 31 3.187 8.543 -6.169 252 2HZ LYS 31 HZ1 LYS 31 4.762 9.178 -6.200 253 3HZ LYS 31 HZ3 LYS 31 4.498 7.587 -5.669 254 H GLN 32 HN GLN 32 0.631 7.558 -0.244 255 HA GLN 32 HA GLN 32 2.742 9.464 0.123 256 1HB GLN 32 HB2 GLN 32 0.225 9.839 0.398 257 2HB GLN 32 HB1 GLN 32 0.388 9.086 1.981 258 1HG GLN 32 HG2 GLN 32 2.394 10.820 2.224 259 2HG GLN 32 HG1 GLN 32 1.482 11.704 1.004 260 1HE2 GLN 32 HE22 GLN 32 -1.291 12.355 3.184 261 2HE2 GLN 32 HE21 GLN 32 -0.868 12.149 1.554 262 OH TYR 33 OH TYR 33 5.188 2.631 8.144 263 H TYR 33 HN TYR 33 1.785 6.588 1.822 264 HA TYR 33 HA TYR 33 3.337 7.119 4.220 265 1HB TYR 33 HB2 TYR 33 1.444 5.546 4.256 266 2HB TYR 33 HB1 TYR 33 2.274 4.515 3.097 267 HD1 TYR 33 HD1 TYR 33 4.389 3.361 3.749 268 HD2 TYR 33 HD2 TYR 33 2.085 5.534 6.586 269 HE1 TYR 33 HE1 TYR 33 5.587 2.248 5.573 270 HE2 TYR 33 HE2 TYR 33 3.282 4.421 8.412 271 HH TYR 33 HH TYR 33 5.437 1.754 7.844 272 H ALA 34 HN ALA 34 3.779 4.755 1.605 273 HA ALA 34 HA ALA 34 6.337 3.851 2.188 274 1HB ALA 34 HB1 ALA 34 4.677 4.020 -0.184 275 2HB ALA 34 HB3 ALA 34 6.377 4.224 -0.591 276 3HB ALA 34 HB2 ALA 34 5.845 2.782 0.267 277 H ASN 35 HN ASN 35 5.432 6.886 0.647 278 HA ASN 35 HA ASN 35 7.971 7.783 -0.187 279 1HB ASN 35 HB2 ASN 35 5.871 8.991 -0.677 280 2HB ASN 35 HB1 ASN 35 5.739 9.441 1.021 281 1HD2 ASN 35 HD22 ASN 35 8.753 11.148 -1.210 282 2HD2 ASN 35 HD21 ASN 35 8.193 9.600 -1.625 283 H ASP 36 HN ASP 36 6.478 7.875 3.002 284 HA ASP 36 HA ASP 36 8.595 9.406 4.241 285 1HB ASP 36 HB2 ASP 36 6.408 7.630 5.338 286 2HB ASP 36 HB1 ASP 36 7.569 8.447 6.382 287 H ASN 37 HN ASN 37 8.915 6.636 2.747 288 HA ASN 37 HA ASN 37 10.959 5.611 4.671 289 1HB ASN 37 HB2 ASN 37 8.929 4.011 3.098 290 2HB ASN 37 HB1 ASN 37 10.355 3.289 3.839 291 1HD2 ASN 37 HD22 ASN 37 7.564 4.945 6.381 292 2HD2 ASN 37 HD21 ASN 37 7.845 5.678 4.875 293 H GLY 38 HN GLY 38 9.913 6.099 1.374 294 1HA GLY 38 HA2 GLY 38 11.519 6.686 -0.364 295 2HA GLY 38 HA1 GLY 38 12.740 5.755 0.496 296 H VAL 39 HN VAL 39 9.593 4.390 0.172 297 HA VAL 39 HA VAL 39 10.711 2.349 -1.683 298 HB VAL 39 HB VAL 39 8.109 2.263 -0.140 299 1HG1 VAL 39 HG13 VAL 39 9.825 0.110 -1.428 300 2HG1 VAL 39 HG12 VAL 39 8.335 -0.171 -0.534 301 3HG1 VAL 39 HG11 VAL 39 8.294 0.706 -2.060 302 1HG2 VAL 39 HG23 VAL 39 10.867 1.212 0.586 303 2HG2 VAL 39 HG22 VAL 39 10.000 2.502 1.415 304 3HG2 VAL 39 HG21 VAL 39 9.387 0.852 1.471 305 H ASP 40 HN ASP 40 10.500 3.338 -3.691 306 HA ASP 40 HA ASP 40 7.684 3.677 -4.625 307 1HB ASP 40 HB2 ASP 40 9.892 5.497 -5.565 308 2HB ASP 40 HB1 ASP 40 8.150 5.731 -5.690 309 H GLY 41 HN GLY 41 7.451 2.053 -6.036 310 1HA GLY 41 HA2 GLY 41 9.175 1.973 -8.402 311 2HA GLY 41 HA1 GLY 41 9.305 0.543 -7.382 312 H GLU 42 HN GLU 42 7.718 -0.981 -7.458 313 HA GLU 42 HA GLU 42 5.557 -0.530 -9.466 314 1HB GLU 42 HB2 GLU 42 6.466 -3.128 -8.231 315 2HB GLU 42 HB1 GLU 42 5.421 -2.936 -9.631 316 1HG GLU 42 HG2 GLU 42 7.781 -1.428 -10.151 317 2HG GLU 42 HG1 GLU 42 8.300 -3.002 -9.550 318 CH2 TRP 43 CH2 TRP 43 2.157 2.436 -2.188 319 H TRP 43 HN TRP 43 3.404 -0.938 -8.958 320 HA TRP 43 HA TRP 43 2.806 -1.382 -6.055 321 1HB TRP 43 HB2 TRP 43 1.792 0.715 -7.943 322 2HB TRP 43 HB1 TRP 43 0.805 0.205 -6.585 323 HD1 TRP 43 HD1 TRP 43 4.384 1.472 -7.307 324 HE1 TRP 43 HE1 TRP 43 5.104 2.782 -5.254 325 HE3 TRP 43 HE3 TRP 43 0.433 0.608 -4.412 326 HZ2 TRP 43 HZ2 TRP 43 4.062 3.333 -2.528 327 HZ3 TRP 43 HZ3 TRP 43 0.273 1.440 -2.122 328 HH2 TRP 43 HH2 TRP 43 2.084 2.799 -1.173 329 H THR 44 HN THR 44 1.240 -2.809 -5.609 330 HA THR 44 HA THR 44 -0.377 -3.869 -7.902 331 HB THR 44 HB THR 44 -0.274 -6.086 -6.499 332 HG1 THR 44 HG1 THR 44 0.652 -4.825 -4.731 333 1HG2 THR 44 HG21 THR 44 1.076 -5.578 -8.653 334 2HG2 THR 44 HG23 THR 44 2.383 -5.092 -7.577 335 3HG2 THR 44 HG22 THR 44 1.791 -6.750 -7.549 336 OH TYR 45 OH TYR 45 -8.849 -1.295 -3.124 337 H TYR 45 HN TYR 45 -2.377 -4.960 -7.227 338 HA TYR 45 HA TYR 45 -3.533 -3.933 -4.673 339 1HB TYR 45 HB2 TYR 45 -4.059 -2.494 -6.774 340 2HB TYR 45 HB1 TYR 45 -5.072 -3.848 -7.279 341 HD1 TYR 45 HD1 TYR 45 -6.569 -4.725 -4.960 342 HD2 TYR 45 HD2 TYR 45 -5.329 -0.773 -5.906 343 HE1 TYR 45 HE1 TYR 45 -8.322 -3.833 -3.523 344 HE2 TYR 45 HE2 TYR 45 -7.130 0.120 -4.512 345 HH TYR 45 HH TYR 45 -8.473 -1.081 -2.267 346 H ASP 46 HN ASP 46 -4.537 -5.540 -3.610 347 HA ASP 46 HA ASP 46 -5.262 -8.011 -5.137 348 1HB ASP 46 HB2 ASP 46 -3.550 -8.022 -3.170 349 2HB ASP 46 HB1 ASP 46 -4.976 -7.894 -2.147 350 H ASP 47 HN ASP 47 -7.309 -7.077 -5.759 351 HA ASP 47 HA ASP 47 -9.233 -6.204 -3.784 352 1HB ASP 47 HB2 ASP 47 -9.667 -5.402 -5.947 353 2HB ASP 47 HB1 ASP 47 -9.375 -6.972 -6.690 354 H ALA 48 HN ALA 48 -8.014 -9.222 -4.547 355 HA ALA 48 HA ALA 48 -10.391 -10.835 -4.243 356 1HB ALA 48 HB3 ALA 48 -7.748 -11.306 -4.941 357 2HB ALA 48 HB2 ALA 48 -7.903 -12.107 -3.380 358 3HB ALA 48 HB1 ALA 48 -8.980 -12.542 -4.704 359 H THR 49 HN THR 49 -8.269 -9.240 -2.030 360 HA THR 49 HA THR 49 -9.931 -10.228 0.215 361 HB THR 49 HB THR 49 -7.592 -10.514 1.485 362 HG1 THR 49 HG1 THR 49 -6.190 -10.014 -0.078 363 1HG2 THR 49 HG21 THR 49 -8.539 -12.527 -0.597 364 2HG2 THR 49 HG23 THR 49 -7.510 -12.888 0.787 365 3HG2 THR 49 HG22 THR 49 -9.186 -12.409 1.037 366 H LYS 50 HN LYS 50 -9.193 -7.657 -1.302 367 HA LYS 50 HA LYS 50 -8.826 -5.398 -0.758 368 1HB LYS 50 HB2 LYS 50 -9.942 -6.484 1.836 369 2HB LYS 50 HB1 LYS 50 -9.648 -4.772 1.562 370 1HG LYS 50 HG2 LYS 50 -11.130 -4.842 -0.427 371 2HG LYS 50 HG1 LYS 50 -11.434 -6.550 -0.134 372 1HD LYS 50 HD2 LYS 50 -13.251 -5.653 0.987 373 2HD LYS 50 HD1 LYS 50 -12.078 -5.641 2.299 374 1HE LYS 50 HE2 LYS 50 -11.443 -3.275 1.332 375 2HE LYS 50 HE1 LYS 50 -13.042 -3.351 0.602 376 1HZ LYS 50 HZ3 LYS 50 -13.730 -4.028 3.003 377 2HZ LYS 50 HZ2 LYS 50 -12.293 -3.230 3.432 378 3HZ LYS 50 HZ1 LYS 50 -13.513 -2.393 2.597 379 H THR 51 HN THR 51 -6.507 -6.470 -0.921 380 HA THR 51 HA THR 51 -5.007 -5.497 1.470 381 HB THR 51 HB THR 51 -4.829 -8.218 0.161 382 HG1 THR 51 HG1 THR 51 -5.916 -8.154 2.048 383 1HG2 THR 51 HG22 THR 51 -2.670 -6.834 1.797 384 2HG2 THR 51 HG21 THR 51 -2.701 -8.549 1.426 385 3HG2 THR 51 HG23 THR 51 -2.486 -7.376 0.135 386 H PHE 52 HN PHE 52 -3.726 -3.860 0.755 387 HA PHE 52 HA PHE 52 -3.016 -3.661 -2.070 388 1HB PHE 52 HB2 PHE 52 -3.028 -1.927 0.238 389 2HB PHE 52 HB1 PHE 52 -1.503 -1.811 -0.628 390 HD1 PHE 52 HD1 PHE 52 -1.509 -1.200 -3.086 391 HD2 PHE 52 HD2 PHE 52 -5.054 -1.177 -0.767 392 HE1 PHE 52 HE1 PHE 52 -2.649 0.127 -4.819 393 HE2 PHE 52 HE2 PHE 52 -6.149 0.248 -2.414 394 HZ PHE 52 HZ PHE 52 -4.936 0.934 -4.430 395 H THR 53 HN THR 53 -0.700 -3.356 -2.710 396 HA THR 53 HA THR 53 1.340 -4.419 -0.909 397 HB THR 53 HB THR 53 0.480 -6.031 -3.340 398 HG1 THR 53 HG1 THR 53 0.376 -6.204 -0.521 399 1HG2 THR 53 HG22 THR 53 2.979 -5.934 -1.745 400 2HG2 THR 53 HG21 THR 53 2.247 -7.533 -1.845 401 3HG2 THR 53 HG23 THR 53 2.698 -6.678 -3.316 402 H VAL 54 HN VAL 54 3.321 -3.669 -1.459 403 HA VAL 54 HA VAL 54 3.708 -2.614 -4.228 404 HB VAL 54 HB VAL 54 3.077 -0.756 -2.633 405 1HG1 VAL 54 HG12 VAL 54 4.254 -1.879 -0.690 406 2HG1 VAL 54 HG11 VAL 54 5.772 -1.325 -1.384 407 3HG1 VAL 54 HG13 VAL 54 4.564 -0.158 -0.857 408 1HG2 VAL 54 HG22 VAL 54 5.850 -0.785 -3.851 409 2HG2 VAL 54 HG21 VAL 54 4.377 -0.135 -4.552 410 3HG2 VAL 54 HG23 VAL 54 5.120 0.661 -3.174 411 H THR 55 HN THR 55 5.906 -2.621 -4.892 412 HA THR 55 HA THR 55 7.848 -3.913 -3.047 413 HB THR 55 HB THR 55 7.316 -4.975 -5.853 414 HG1 THR 55 HG1 THR 55 6.755 -6.138 -3.333 415 1HG2 THR 55 HG23 THR 55 9.384 -5.443 -3.826 416 2HG2 THR 55 HG22 THR 55 8.460 -6.904 -4.164 417 3HG2 THR 55 HG21 THR 55 9.289 -6.065 -5.467 418 H GLU 56 HN GLU 56 9.657 -2.748 -3.091 419 HA GLU 56 HA GLU 56 10.172 -0.695 -5.021 420 1HB GLU 56 HB2 GLU 56 11.220 -1.414 -2.566 421 2HB GLU 56 HB1 GLU 56 12.552 -1.739 -3.669 422 1HG GLU 56 HG2 GLU 56 10.998 0.864 -3.472 423 2HG GLU 56 HG1 GLU 56 12.644 0.599 -2.901 Start of MODEL 40 Raw file had 423 H/Q atoms Entry Start of MODEL 40 1 1H MET 1 HT1 MET 1 -14.027 1.987 4.459 2 2H MET 1 HT3 MET 1 -15.307 0.874 4.534 3 3H MET 1 HT2 MET 1 -14.182 0.959 5.801 4 HA MET 1 HA MET 1 -13.700 -0.960 4.482 5 1HB MET 1 HB2 MET 1 -13.233 0.888 2.142 6 2HB MET 1 HB1 MET 1 -13.309 -0.871 2.141 7 1HG MET 1 HG2 MET 1 -15.426 -0.422 1.398 8 2HG MET 1 HG1 MET 1 -15.720 -0.446 3.116 9 1HE MET 1 HE1 MET 1 -17.901 0.388 1.748 10 2HE MET 1 HE3 MET 1 -17.854 0.884 3.440 11 3HE MET 1 HE2 MET 1 -18.353 2.032 2.197 12 H THR 2 HN THR 2 -11.604 -1.621 4.574 13 HA THR 2 HA THR 2 -9.453 0.418 4.410 14 HB THR 2 HB THR 2 -9.788 -1.411 6.827 15 HG1 THR 2 HG1 THR 2 -10.892 0.245 7.546 16 1HG2 THR 2 HG23 THR 2 -7.450 -0.294 5.859 17 2HG2 THR 2 HG22 THR 2 -8.066 0.995 6.887 18 3HG2 THR 2 HG21 THR 2 -7.761 -0.600 7.564 19 OH TYR 3 OH TYR 3 -11.640 -0.060 -1.136 20 H TYR 3 HN TYR 3 -7.838 -0.369 3.212 21 HA TYR 3 HA TYR 3 -7.717 -3.314 2.782 22 1HB TYR 3 HB2 TYR 3 -6.129 -1.234 1.289 23 2HB TYR 3 HB1 TYR 3 -6.530 -2.864 0.777 24 HD1 TYR 3 HD1 TYR 3 -8.024 0.462 1.537 25 HD2 TYR 3 HD2 TYR 3 -8.575 -3.301 -0.365 26 HE1 TYR 3 HE1 TYR 3 -10.072 1.295 0.481 27 HE2 TYR 3 HE2 TYR 3 -10.624 -2.469 -1.421 28 HH TYR 3 HH TYR 3 -11.900 -0.685 -1.817 29 H LYS 4 HN LYS 4 -5.641 -4.384 2.812 30 HA LYS 4 HA LYS 4 -3.855 -3.228 4.912 31 1HB LYS 4 HB2 LYS 4 -5.059 -5.628 4.913 32 2HB LYS 4 HB1 LYS 4 -3.617 -6.062 4.006 33 1HG LYS 4 HG2 LYS 4 -2.328 -4.806 5.899 34 2HG LYS 4 HG1 LYS 4 -3.815 -5.002 6.818 35 1HD LYS 4 HD2 LYS 4 -3.528 -7.523 5.830 36 2HD LYS 4 HD1 LYS 4 -1.840 -7.047 5.975 37 1HE LYS 4 HE2 LYS 4 -2.273 -6.356 8.337 38 2HE LYS 4 HE1 LYS 4 -3.929 -6.929 8.177 39 1HZ LYS 4 HZ2 LYS 4 -3.024 -9.141 7.644 40 2HZ LYS 4 HZ1 LYS 4 -1.460 -8.557 7.960 41 3HZ LYS 4 HZ3 LYS 4 -2.614 -8.612 9.206 42 H LEU 5 HN LEU 5 -1.949 -2.430 4.232 43 HA LEU 5 HA LEU 5 -1.021 -3.106 1.515 44 1HB LEU 5 HB2 LEU 5 -0.933 -0.764 2.037 45 2HB LEU 5 HB1 LEU 5 -0.158 -1.061 3.583 46 HG LEU 5 HG LEU 5 1.891 -1.901 2.296 47 1HD1 LEU 5 HD12 LEU 5 0.689 -2.404 0.157 48 2HD1 LEU 5 HD11 LEU 5 0.405 -0.680 -0.053 49 3HD1 LEU 5 HD13 LEU 5 2.043 -1.314 -0.083 50 1HD2 LEU 5 HD22 LEU 5 1.559 0.466 3.178 51 2HD2 LEU 5 HD21 LEU 5 2.718 0.291 1.866 52 3HD2 LEU 5 HD23 LEU 5 1.106 0.908 1.538 53 H ILE 6 HN ILE 6 1.085 -3.897 1.090 54 HA ILE 6 HA ILE 6 2.532 -5.103 3.365 55 HB ILE 6 HB ILE 6 2.091 -6.481 0.710 56 1HG1 ILE 6 HG12 ILE 6 0.681 -6.742 3.381 57 2HG1 ILE 6 HG11 ILE 6 -0.047 -6.408 1.814 58 1HG2 ILE 6 HG21 ILE 6 4.163 -6.986 2.176 59 2HG2 ILE 6 HG23 ILE 6 3.025 -7.670 3.330 60 3HG2 ILE 6 HG22 ILE 6 3.163 -8.357 1.715 61 1HD1 ILE 6 HD3 ILE 6 0.929 -8.692 1.081 62 2HD1 ILE 6 HD2 ILE 6 1.162 -8.999 2.801 63 3HD1 ILE 6 HD1 ILE 6 -0.456 -8.722 2.167 64 H LEU 7 HN LEU 7 4.301 -3.837 3.389 65 HA LEU 7 HA LEU 7 5.505 -2.827 0.933 66 1HB LEU 7 HB2 LEU 7 6.237 -2.644 3.845 67 2HB LEU 7 HB1 LEU 7 7.281 -1.998 2.587 68 HG LEU 7 HG LEU 7 4.452 -1.236 2.272 69 1HD1 LEU 7 HD13 LEU 7 6.038 -0.338 4.701 70 2HD1 LEU 7 HD12 LEU 7 4.576 0.455 4.124 71 3HD1 LEU 7 HD11 LEU 7 4.503 -1.202 4.713 72 1HD2 LEU 7 HD22 LEU 7 6.474 -0.325 1.035 73 2HD2 LEU 7 HD21 LEU 7 5.456 0.908 1.771 74 3HD2 LEU 7 HD23 LEU 7 6.967 0.440 2.542 75 H ASN 8 HN ASN 8 6.740 -4.027 -0.337 76 HA ASN 8 HA ASN 8 8.388 -6.183 0.910 77 1HB ASN 8 HB2 ASN 8 6.766 -5.990 -1.498 78 2HB ASN 8 HB1 ASN 8 8.391 -6.519 -1.873 79 1HD2 ASN 8 HD22 ASN 8 5.944 -9.234 -0.591 80 2HD2 ASN 8 HD21 ASN 8 5.573 -7.858 -1.503 81 H GLY 9 HN GLY 9 9.186 -3.461 0.998 82 1HA GLY 9 HA2 GLY 9 10.885 -2.587 -1.053 83 2HA GLY 9 HA1 GLY 9 11.163 -2.226 0.643 84 H LYS 10 HN LYS 10 12.958 -3.017 -1.664 85 HA LYS 10 HA LYS 10 13.981 -5.638 -1.295 86 1HB LYS 10 HB2 LYS 10 14.627 -4.199 -3.188 87 2HB LYS 10 HB1 LYS 10 15.482 -3.127 -2.086 88 1HG LYS 10 HG2 LYS 10 17.287 -4.491 -2.042 89 2HG LYS 10 HG1 LYS 10 16.289 -5.897 -1.690 90 1HD LYS 10 HD2 LYS 10 15.744 -6.147 -4.066 91 2HD LYS 10 HD1 LYS 10 16.636 -4.680 -4.450 92 1HE LYS 10 HE2 LYS 10 18.577 -5.830 -4.534 93 2HE LYS 10 HE1 LYS 10 18.315 -6.455 -2.911 94 1HZ LYS 10 HZ3 LYS 10 17.045 -7.597 -5.330 95 2HZ LYS 10 HZ2 LYS 10 18.498 -8.173 -4.667 96 3HZ LYS 10 HZ1 LYS 10 17.061 -8.254 -3.765 97 H THR 11 HN THR 11 15.158 -2.581 0.078 98 HA THR 11 HA THR 11 16.728 -4.119 2.063 99 HB THR 11 HB THR 11 17.357 -1.567 2.649 100 HG1 THR 11 HG1 THR 11 17.208 -0.699 0.308 101 1HG2 THR 11 HG21 THR 11 18.220 -2.906 0.055 102 2HG2 THR 11 HG23 THR 11 19.100 -1.638 0.901 103 3HG2 THR 11 HG22 THR 11 18.944 -3.235 1.626 104 H LEU 12 HN LEU 12 13.632 -3.200 1.859 105 HA LEU 12 HA LEU 12 13.385 -3.059 4.800 106 1HB LEU 12 HB2 LEU 12 13.665 -0.686 3.811 107 2HB LEU 12 HB1 LEU 12 12.038 -0.910 3.179 108 HG LEU 12 HG LEU 12 11.662 -1.739 5.740 109 1HD1 LEU 12 HD11 LEU 12 14.035 -1.195 6.307 110 2HD1 LEU 12 HD13 LEU 12 13.732 0.482 5.866 111 3HD1 LEU 12 HD12 LEU 12 12.891 -0.232 7.239 112 1HD2 LEU 12 HD22 LEU 12 11.547 1.033 4.528 113 2HD2 LEU 12 HD21 LEU 12 10.225 -0.111 4.745 114 3HD2 LEU 12 HD23 LEU 12 10.929 0.698 6.143 115 H LYS 13 HN LYS 13 11.344 -3.621 5.567 116 HA LYS 13 HA LYS 13 9.235 -4.250 3.571 117 1HB LYS 13 HB2 LYS 13 10.357 -6.236 5.573 118 2HB LYS 13 HB1 LYS 13 8.895 -6.496 4.637 119 1HG LYS 13 HG2 LYS 13 10.379 -7.516 3.201 120 2HG LYS 13 HG1 LYS 13 10.575 -5.874 2.614 121 1HD LYS 13 HD2 LYS 13 12.799 -6.460 2.991 122 2HD LYS 13 HD1 LYS 13 12.394 -5.740 4.545 123 1HE LYS 13 HE2 LYS 13 11.640 -8.168 5.184 124 2HE LYS 13 HE1 LYS 13 12.644 -8.652 3.822 125 1HZ LYS 13 HZ3 LYS 13 14.359 -7.095 4.986 126 2HZ LYS 13 HZ2 LYS 13 13.423 -7.425 6.363 127 3HZ LYS 13 HZ1 LYS 13 14.150 -8.698 5.506 128 H GLY 14 HN GLY 14 7.123 -4.383 4.494 129 1HA GLY 14 HA2 GLY 14 6.655 -4.117 7.325 130 2HA GLY 14 HA1 GLY 14 6.564 -2.540 6.548 131 H GLU 15 HN GLU 15 4.308 -2.736 7.400 132 HA GLU 15 HA GLU 15 2.473 -3.326 5.283 133 1HB GLU 15 HB2 GLU 15 1.260 -5.215 6.337 134 2HB GLU 15 HB1 GLU 15 2.906 -5.665 5.917 135 1HG GLU 15 HG2 GLU 15 3.095 -6.341 8.081 136 2HG GLU 15 HG1 GLU 15 3.191 -4.627 8.476 137 H THR 16 HN THR 16 0.729 -2.064 5.612 138 HA THR 16 HA THR 16 -0.209 -1.540 8.368 139 HB THR 16 HB THR 16 1.391 0.278 8.154 140 HG1 THR 16 HG1 THR 16 -0.394 1.167 8.959 141 1HG2 THR 16 HG22 THR 16 0.800 0.085 5.381 142 2HG2 THR 16 HG21 THR 16 0.195 1.655 5.897 143 3HG2 THR 16 HG23 THR 16 1.888 1.238 6.144 144 H THR 17 HN THR 17 -2.312 -0.584 8.444 145 HA THR 17 HA THR 17 -3.849 -1.018 5.915 146 HB THR 17 HB THR 17 -5.701 -1.690 7.252 147 HG1 THR 17 HG1 THR 17 -6.007 -0.286 8.816 148 1HG2 THR 17 HG22 THR 17 -3.296 -2.950 7.779 149 2HG2 THR 17 HG21 THR 17 -3.778 -2.419 9.385 150 3HG2 THR 17 HG23 THR 17 -4.840 -3.464 8.448 151 H THR 18 HN THR 18 -5.034 0.602 5.049 152 HA THR 18 HA THR 18 -5.269 3.152 6.607 153 HB THR 18 HB THR 18 -3.523 3.092 4.624 154 HG1 THR 18 HG1 THR 18 -5.271 5.138 4.186 155 1HG2 THR 18 HG23 THR 18 -5.519 2.169 3.095 156 2HG2 THR 18 HG22 THR 18 -5.965 3.871 3.051 157 3HG2 THR 18 HG21 THR 18 -4.389 3.358 2.455 158 H GLU 19 HN GLU 19 -7.123 4.414 6.162 159 HA GLU 19 HA GLU 19 -9.391 2.801 5.126 160 1HB GLU 19 HB2 GLU 19 -9.789 5.503 6.327 161 2HB GLU 19 HB1 GLU 19 -10.770 4.052 6.491 162 1HG GLU 19 HG2 GLU 19 -9.752 4.146 8.594 163 2HG GLU 19 HG1 GLU 19 -8.628 3.107 7.723 164 H ALA 20 HN ALA 20 -10.209 3.170 3.167 165 HA ALA 20 HA ALA 20 -9.958 5.890 1.981 166 1HB ALA 20 HB1 ALA 20 -8.556 3.501 1.104 167 2HB ALA 20 HB3 ALA 20 -9.589 4.140 -0.171 168 3HB ALA 20 HB2 ALA 20 -8.362 5.166 0.564 169 H VAL 21 HN VAL 21 -11.552 6.384 0.442 170 HA VAL 21 HA VAL 21 -14.028 4.850 0.770 171 HB VAL 21 HB VAL 21 -14.046 7.329 0.741 172 1HG1 VAL 21 HG12 VAL 21 -12.167 7.480 -0.962 173 2HG1 VAL 21 HG11 VAL 21 -13.346 7.047 -2.197 174 3HG1 VAL 21 HG13 VAL 21 -13.535 8.542 -1.286 175 1HG2 VAL 21 HG23 VAL 21 -16.028 5.963 -0.024 176 2HG2 VAL 21 HG22 VAL 21 -15.955 7.568 -0.747 177 3HG2 VAL 21 HG21 VAL 21 -15.459 6.158 -1.678 178 H ASP 22 HN ASP 22 -11.538 5.256 -1.622 179 HA ASP 22 HA ASP 22 -12.807 3.119 -3.235 180 1HB ASP 22 HB2 ASP 22 -12.562 4.373 -5.323 181 2HB ASP 22 HB1 ASP 22 -13.579 5.276 -4.205 182 H ALA 23 HN ALA 23 -11.284 2.315 -4.940 183 HA ALA 23 HA ALA 23 -8.739 1.708 -3.780 184 1HB ALA 23 HB1 ALA 23 -10.066 1.224 -6.399 185 2HB ALA 23 HB3 ALA 23 -8.316 1.050 -6.341 186 3HB ALA 23 HB2 ALA 23 -9.332 0.076 -5.285 187 H ALA 24 HN ALA 24 -9.801 4.341 -5.739 188 HA ALA 24 HA ALA 24 -7.270 5.063 -6.895 189 1HB ALA 24 HB3 ALA 24 -9.837 5.978 -7.151 190 2HB ALA 24 HB2 ALA 24 -9.096 7.282 -6.232 191 3HB ALA 24 HB1 ALA 24 -8.423 6.808 -7.787 192 H THR 25 HN THR 25 -8.986 6.734 -4.256 193 HA THR 25 HA THR 25 -6.765 8.234 -3.363 194 HB THR 25 HB THR 25 -8.944 8.841 -2.500 195 HG1 THR 25 HG1 THR 25 -8.437 8.394 -0.173 196 1HG2 THR 25 HG23 THR 25 -9.016 5.932 -1.772 197 2HG2 THR 25 HG22 THR 25 -9.797 7.062 -0.674 198 3HG2 THR 25 HG21 THR 25 -10.326 6.957 -2.350 199 H ALA 26 HN ALA 26 -7.465 4.885 -2.990 200 HA ALA 26 HA ALA 26 -5.836 4.437 -0.636 201 1HB ALA 26 HB3 ALA 26 -7.623 2.871 -1.493 202 2HB ALA 26 HB2 ALA 26 -6.521 2.432 -2.793 203 3HB ALA 26 HB1 ALA 26 -6.088 2.093 -1.120 204 H GLU 27 HN GLU 27 -5.271 4.290 -4.116 205 HA GLU 27 HA GLU 27 -2.625 3.226 -4.014 206 1HB GLU 27 HB2 GLU 27 -4.064 4.970 -6.018 207 2HB GLU 27 HB1 GLU 27 -2.418 4.414 -6.274 208 1HG GLU 27 HG2 GLU 27 -3.233 2.049 -5.934 209 2HG GLU 27 HG1 GLU 27 -4.874 2.683 -5.884 210 H LYS 28 HN LYS 28 -3.858 6.528 -3.864 211 HA LYS 28 HA LYS 28 -1.154 7.658 -3.770 212 1HB LYS 28 HB2 LYS 28 -2.295 9.435 -4.559 213 2HB LYS 28 HB1 LYS 28 -3.823 8.631 -4.245 214 1HG LYS 28 HG2 LYS 28 -3.811 9.462 -1.918 215 2HG LYS 28 HG1 LYS 28 -2.240 10.223 -2.184 216 1HD LYS 28 HD2 LYS 28 -3.179 11.995 -3.226 217 2HD LYS 28 HD1 LYS 28 -4.179 10.963 -4.239 218 1HE LYS 28 HE2 LYS 28 -4.793 11.533 -1.325 219 2HE LYS 28 HE1 LYS 28 -5.474 12.461 -2.655 220 1HZ LYS 28 HZ1 LYS 28 -6.220 10.213 -3.545 221 2HZ LYS 28 HZ3 LYS 28 -5.902 9.621 -1.985 222 3HZ LYS 28 HZ2 LYS 28 -7.055 10.848 -2.209 223 H VAL 29 HN VAL 29 -3.809 7.098 -1.503 224 HA VAL 29 HA VAL 29 -2.722 8.396 0.760 225 HB VAL 29 HB VAL 29 -4.464 5.948 0.496 226 1HG1 VAL 29 HG13 VAL 29 -3.297 7.269 2.938 227 2HG1 VAL 29 HG12 VAL 29 -4.886 6.514 3.020 228 3HG1 VAL 29 HG11 VAL 29 -3.474 5.551 2.594 229 1HG2 VAL 29 HG21 VAL 29 -5.039 8.563 0.072 230 2HG2 VAL 29 HG23 VAL 29 -6.215 7.423 0.721 231 3HG2 VAL 29 HG22 VAL 29 -5.317 8.478 1.809 232 H PHE 30 HN PHE 30 -2.457 4.937 -0.069 233 HA PHE 30 HA PHE 30 -0.550 4.328 1.958 234 1HB PHE 30 HB2 PHE 30 -1.401 3.034 -0.602 235 2HB PHE 30 HB1 PHE 30 0.085 2.472 0.148 236 HD1 PHE 30 HD1 PHE 30 -0.225 2.259 2.901 237 HD2 PHE 30 HD2 PHE 30 -3.297 1.800 -0.022 238 HE1 PHE 30 HE1 PHE 30 -1.554 0.939 4.493 239 HE2 PHE 30 HE2 PHE 30 -4.598 0.472 1.571 240 HZ PHE 30 HZ PHE 30 -3.727 0.011 3.816 241 H LYS 31 HN LYS 31 -0.113 5.234 -1.447 242 HA LYS 31 HA LYS 31 2.707 5.059 -1.546 243 1HB LYS 31 HB2 LYS 31 1.249 5.497 -3.516 244 2HB LYS 31 HB1 LYS 31 0.967 7.129 -2.915 245 1HG LYS 31 HG2 LYS 31 3.273 7.724 -3.177 246 2HG LYS 31 HG1 LYS 31 3.753 6.045 -3.403 247 1HD LYS 31 HD2 LYS 31 3.663 7.291 -5.562 248 2HD LYS 31 HD1 LYS 31 2.524 5.950 -5.526 249 1HE LYS 31 HE2 LYS 31 1.669 8.262 -6.371 250 2HE LYS 31 HE1 LYS 31 0.666 7.376 -5.230 251 1HZ LYS 31 HZ3 LYS 31 2.651 9.166 -4.088 252 2HZ LYS 31 HZ2 LYS 31 1.350 9.901 -4.893 253 3HZ LYS 31 HZ1 LYS 31 1.058 8.846 -3.594 254 H GLN 32 HN GLN 32 0.611 7.513 -0.198 255 HA GLN 32 HA GLN 32 2.608 9.529 0.215 256 1HB GLN 32 HB2 GLN 32 0.054 9.750 0.430 257 2HB GLN 32 HB1 GLN 32 0.244 9.051 2.034 258 1HG GLN 32 HG2 GLN 32 0.404 11.349 2.489 259 2HG GLN 32 HG1 GLN 32 2.100 10.898 2.319 260 1HE2 GLN 32 HE22 GLN 32 2.543 12.653 -0.748 261 2HE2 GLN 32 HE21 GLN 32 3.175 11.441 0.259 262 OH TYR 33 OH TYR 33 4.948 2.994 8.511 263 H TYR 33 HN TYR 33 1.649 6.674 1.974 264 HA TYR 33 HA TYR 33 3.179 7.274 4.365 265 1HB TYR 33 HB2 TYR 33 1.279 5.700 4.405 266 2HB TYR 33 HB1 TYR 33 2.148 4.627 3.313 267 HD1 TYR 33 HD1 TYR 33 4.287 3.564 4.070 268 HD2 TYR 33 HD2 TYR 33 1.821 5.756 6.751 269 HE1 TYR 33 HE1 TYR 33 5.448 2.545 5.968 270 HE2 TYR 33 HE2 TYR 33 2.982 4.735 8.655 271 HH TYR 33 HH TYR 33 5.399 3.691 8.992 272 H ALA 34 HN ALA 34 3.649 4.826 1.836 273 HA ALA 34 HA ALA 34 6.198 3.943 2.458 274 1HB ALA 34 HB2 ALA 34 4.530 3.949 0.138 275 2HB ALA 34 HB1 ALA 34 6.166 4.362 -0.365 276 3HB ALA 34 HB3 ALA 34 5.865 2.866 0.512 277 H ASN 35 HN ASN 35 5.325 6.922 0.774 278 HA ASN 35 HA ASN 35 7.889 7.806 0.007 279 1HB ASN 35 HB2 ASN 35 5.677 8.915 -0.525 280 2HB ASN 35 HB1 ASN 35 5.708 9.597 1.099 281 1HD2 ASN 35 HD22 ASN 35 8.845 10.761 -1.292 282 2HD2 ASN 35 HD21 ASN 35 8.411 9.122 -1.227 283 H ASP 36 HN ASP 36 6.272 8.009 3.126 284 HA ASP 36 HA ASP 36 8.333 9.624 4.370 285 1HB ASP 36 HB2 ASP 36 6.179 7.861 5.566 286 2HB ASP 36 HB1 ASP 36 7.201 8.954 6.496 287 H ASN 37 HN ASN 37 8.884 6.892 3.005 288 HA ASN 37 HA ASN 37 10.725 5.934 5.143 289 1HB ASN 37 HB2 ASN 37 8.763 4.287 3.553 290 2HB ASN 37 HB1 ASN 37 10.198 3.564 4.274 291 1HD2 ASN 37 HD22 ASN 37 7.251 5.019 6.748 292 2HD2 ASN 37 HD21 ASN 37 7.382 5.621 5.166 293 H GLY 38 HN GLY 38 9.830 5.590 1.726 294 1HA GLY 38 HA2 GLY 38 11.653 6.378 0.121 295 2HA GLY 38 HA1 GLY 38 12.751 5.389 1.074 296 H VAL 39 HN VAL 39 9.515 4.294 0.470 297 HA VAL 39 HA VAL 39 10.623 2.163 -1.314 298 HB VAL 39 HB VAL 39 8.104 2.196 0.368 299 1HG1 VAL 39 HG11 VAL 39 9.182 0.355 -1.722 300 2HG1 VAL 39 HG13 VAL 39 8.460 -0.385 -0.297 301 3HG1 VAL 39 HG12 VAL 39 7.510 0.707 -1.299 302 1HG2 VAL 39 HG22 VAL 39 10.488 1.983 1.429 303 2HG2 VAL 39 HG21 VAL 39 9.254 0.813 1.886 304 3HG2 VAL 39 HG23 VAL 39 10.485 0.379 0.703 305 H ASP 40 HN ASP 40 10.316 2.694 -3.398 306 HA ASP 40 HA ASP 40 7.570 3.252 -4.311 307 1HB ASP 40 HB2 ASP 40 9.845 5.196 -4.786 308 2HB ASP 40 HB1 ASP 40 8.275 5.279 -5.581 309 H GLY 41 HN GLY 41 7.246 2.048 -6.073 310 1HA GLY 41 HA2 GLY 41 9.028 1.974 -8.314 311 2HA GLY 41 HA1 GLY 41 9.259 0.519 -7.349 312 H GLU 42 HN GLU 42 7.701 -1.063 -7.361 313 HA GLU 42 HA GLU 42 5.558 -0.736 -9.414 314 1HB GLU 42 HB2 GLU 42 6.255 -3.348 -8.147 315 2HB GLU 42 HB1 GLU 42 5.675 -3.028 -9.775 316 1HG GLU 42 HG2 GLU 42 7.890 -1.858 -10.222 317 2HG GLU 42 HG1 GLU 42 8.448 -2.477 -8.670 318 CH2 TRP 43 CH2 TRP 43 2.181 2.454 -2.148 319 H TRP 43 HN TRP 43 3.445 -0.839 -8.855 320 HA TRP 43 HA TRP 43 2.815 -1.446 -5.988 321 1HB TRP 43 HB2 TRP 43 1.782 0.650 -7.866 322 2HB TRP 43 HB1 TRP 43 0.816 0.132 -6.495 323 HD1 TRP 43 HD1 TRP 43 4.396 1.379 -7.251 324 HE1 TRP 43 HE1 TRP 43 5.117 2.738 -5.226 325 HE3 TRP 43 HE3 TRP 43 0.449 0.582 -4.331 326 HZ2 TRP 43 HZ2 TRP 43 4.083 3.344 -2.514 327 HZ3 TRP 43 HZ3 TRP 43 0.296 1.461 -2.056 328 HH2 TRP 43 HH2 TRP 43 2.111 2.836 -1.141 329 H THR 44 HN THR 44 1.255 -2.880 -5.562 330 HA THR 44 HA THR 44 -0.330 -3.947 -7.872 331 HB THR 44 HB THR 44 -0.269 -6.144 -6.435 332 HG1 THR 44 HG1 THR 44 2.138 -5.483 -5.491 333 1HG2 THR 44 HG23 THR 44 2.114 -4.943 -7.872 334 2HG2 THR 44 HG22 THR 44 2.195 -6.553 -7.164 335 3HG2 THR 44 HG21 THR 44 1.037 -6.212 -8.448 336 OH TYR 45 OH TYR 45 -8.848 -1.236 -3.243 337 H TYR 45 HN TYR 45 -2.343 -5.071 -7.159 338 HA TYR 45 HA TYR 45 -3.515 -3.971 -4.652 339 1HB TYR 45 HB2 TYR 45 -3.968 -2.509 -6.738 340 2HB TYR 45 HB1 TYR 45 -4.991 -3.835 -7.294 341 HD1 TYR 45 HD1 TYR 45 -6.586 -4.704 -5.025 342 HD2 TYR 45 HD2 TYR 45 -5.227 -0.774 -5.897 343 HE1 TYR 45 HE1 TYR 45 -8.361 -3.782 -3.636 344 HE2 TYR 45 HE2 TYR 45 -7.052 0.146 -4.560 345 HH TYR 45 HH TYR 45 -8.535 -1.160 -2.339 346 H ASP 46 HN ASP 46 -4.586 -5.537 -3.602 347 HA ASP 46 HA ASP 46 -5.404 -7.976 -5.136 348 1HB ASP 46 HB2 ASP 46 -3.657 -8.075 -3.198 349 2HB ASP 46 HB1 ASP 46 -5.060 -7.903 -2.147 350 H ASP 47 HN ASP 47 -7.395 -6.824 -5.702 351 HA ASP 47 HA ASP 47 -9.248 -5.948 -3.668 352 1HB ASP 47 HB2 ASP 47 -9.305 -5.198 -6.057 353 2HB ASP 47 HB1 ASP 47 -9.868 -6.807 -6.505 354 H ALA 48 HN ALA 48 -8.261 -9.014 -4.594 355 HA ALA 48 HA ALA 48 -10.758 -10.441 -4.332 356 1HB ALA 48 HB3 ALA 48 -7.978 -11.083 -4.778 357 2HB ALA 48 HB2 ALA 48 -8.660 -12.163 -3.566 358 3HB ALA 48 HB1 ALA 48 -9.408 -12.040 -5.156 359 H THR 49 HN THR 49 -8.141 -9.644 -2.089 360 HA THR 49 HA THR 49 -9.921 -10.495 0.170 361 HB THR 49 HB THR 49 -7.758 -10.969 1.428 362 HG1 THR 49 HG1 THR 49 -5.929 -10.632 0.323 363 1HG2 THR 49 HG23 THR 49 -8.990 -12.768 0.012 364 2HG2 THR 49 HG22 THR 49 -7.787 -12.431 -1.230 365 3HG2 THR 49 HG21 THR 49 -7.284 -13.057 0.337 366 H LYS 50 HN LYS 50 -9.103 -7.844 -1.324 367 HA LYS 50 HA LYS 50 -8.852 -5.597 -0.689 368 1HB LYS 50 HB2 LYS 50 -9.678 -6.493 2.074 369 2HB LYS 50 HB1 LYS 50 -9.944 -4.926 1.320 370 1HG LYS 50 HG2 LYS 50 -11.414 -6.020 -0.373 371 2HG LYS 50 HG1 LYS 50 -11.190 -7.558 0.454 372 1HD LYS 50 HD2 LYS 50 -13.064 -6.927 1.606 373 2HD LYS 50 HD1 LYS 50 -11.928 -5.966 2.546 374 1HE LYS 50 HE2 LYS 50 -13.573 -5.040 0.171 375 2HE LYS 50 HE1 LYS 50 -13.728 -4.502 1.839 376 1HZ LYS 50 HZ3 LYS 50 -11.349 -3.741 1.622 377 2HZ LYS 50 HZ2 LYS 50 -11.520 -3.972 -0.051 378 3HZ LYS 50 HZ1 LYS 50 -12.510 -2.853 0.758 379 H THR 51 HN THR 51 -6.505 -6.489 -0.913 380 HA THR 51 HA THR 51 -5.037 -5.579 1.516 381 HB THR 51 HB THR 51 -4.754 -8.279 0.151 382 HG1 THR 51 HG1 THR 51 -4.914 -8.834 2.347 383 1HG2 THR 51 HG21 THR 51 -2.755 -6.907 1.994 384 2HG2 THR 51 HG23 THR 51 -2.703 -8.598 1.523 385 3HG2 THR 51 HG22 THR 51 -2.438 -7.343 0.320 386 H PHE 52 HN PHE 52 -3.738 -3.946 0.822 387 HA PHE 52 HA PHE 52 -3.023 -3.715 -2.000 388 1HB PHE 52 HB2 PHE 52 -3.072 -2.005 0.315 389 2HB PHE 52 HB1 PHE 52 -1.523 -1.882 -0.507 390 HD1 PHE 52 HD1 PHE 52 -1.446 -1.218 -2.932 391 HD2 PHE 52 HD2 PHE 52 -5.081 -1.276 -0.756 392 HE1 PHE 52 HE1 PHE 52 -2.543 0.101 -4.701 393 HE2 PHE 52 HE2 PHE 52 -6.128 0.155 -2.425 394 HZ PHE 52 HZ PHE 52 -4.846 0.890 -4.381 395 H THR 53 HN THR 53 -0.718 -3.437 -2.658 396 HA THR 53 HA THR 53 1.329 -4.484 -0.854 397 HB THR 53 HB THR 53 0.481 -6.115 -3.277 398 HG1 THR 53 HG1 THR 53 -0.299 -7.424 -1.715 399 1HG2 THR 53 HG23 THR 53 3.006 -5.935 -1.882 400 2HG2 THR 53 HG22 THR 53 2.238 -7.464 -1.470 401 3HG2 THR 53 HG21 THR 53 2.555 -7.066 -3.154 402 H VAL 54 HN VAL 54 3.341 -3.828 -1.459 403 HA VAL 54 HA VAL 54 3.726 -2.821 -4.237 404 HB VAL 54 HB VAL 54 3.060 -0.902 -2.737 405 1HG1 VAL 54 HG12 VAL 54 4.207 -1.932 -0.728 406 2HG1 VAL 54 HG11 VAL 54 5.736 -1.400 -1.417 407 3HG1 VAL 54 HG13 VAL 54 4.513 -0.218 -0.963 408 1HG2 VAL 54 HG23 VAL 54 5.857 -0.961 -3.905 409 2HG2 VAL 54 HG22 VAL 54 4.394 -0.346 -4.655 410 3HG2 VAL 54 HG21 VAL 54 5.109 0.506 -3.298 411 H THR 55 HN THR 55 5.904 -2.853 -4.894 412 HA THR 55 HA THR 55 7.890 -3.975 -2.986 413 HB THR 55 HB THR 55 7.246 -5.287 -5.664 414 HG1 THR 55 HG1 THR 55 5.876 -6.302 -4.416 415 1HG2 THR 55 HG22 THR 55 9.456 -5.534 -3.691 416 2HG2 THR 55 HG21 THR 55 8.673 -7.053 -4.120 417 3HG2 THR 55 HG23 THR 55 9.403 -6.054 -5.369 418 H GLU 56 HN GLU 56 9.514 -2.515 -3.129 419 HA GLU 56 HA GLU 56 9.979 -0.778 -5.337 420 1HB GLU 56 HB2 GLU 56 11.042 -1.075 -2.798 421 2HB GLU 56 HB1 GLU 56 12.401 -1.467 -3.839 422 1HG GLU 56 HG2 GLU 56 10.691 1.037 -4.046 423 2HG GLU 56 HG1 GLU 56 12.316 0.963 -3.371 Start of MODEL 41 Raw file had 423 H/Q atoms Entry Start of MODEL 41 1 1H MET 1 HT2 MET 1 -13.725 -0.651 5.747 2 2H MET 1 HT1 MET 1 -15.178 -0.736 4.870 3 3H MET 1 HT3 MET 1 -13.941 -1.861 4.575 4 HA MET 1 HA MET 1 -13.633 -0.455 2.823 5 1HB MET 1 HB2 MET 1 -13.774 2.077 3.168 6 2HB MET 1 HB1 MET 1 -15.295 1.197 3.254 7 1HG MET 1 HG2 MET 1 -13.885 1.322 5.812 8 2HG MET 1 HG1 MET 1 -14.269 2.903 5.188 9 1HE MET 1 HE1 MET 1 -15.152 2.728 7.745 10 2HE MET 1 HE3 MET 1 -15.905 3.942 6.711 11 3HE MET 1 HE2 MET 1 -16.899 2.961 7.787 12 H THR 2 HN THR 2 -11.765 -1.626 4.398 13 HA THR 2 HA THR 2 -9.586 0.403 4.345 14 HB THR 2 HB THR 2 -9.921 -1.553 6.653 15 HG1 THR 2 HG1 THR 2 -11.499 -0.096 6.946 16 1HG2 THR 2 HG21 THR 2 -7.658 -0.240 5.876 17 2HG2 THR 2 HG23 THR 2 -8.436 1.024 6.820 18 3HG2 THR 2 HG22 THR 2 -8.056 -0.523 7.567 19 OH TYR 3 OH TYR 3 -11.581 0.326 -1.006 20 H TYR 3 HN TYR 3 -7.838 -0.338 3.313 21 HA TYR 3 HA TYR 3 -7.698 -3.270 2.744 22 1HB TYR 3 HB2 TYR 3 -6.103 -1.166 1.316 23 2HB TYR 3 HB1 TYR 3 -6.577 -2.757 0.746 24 HD1 TYR 3 HD1 TYR 3 -7.951 0.580 1.688 25 HD2 TYR 3 HD2 TYR 3 -8.625 -3.049 -0.421 26 HE1 TYR 3 HE1 TYR 3 -9.974 1.538 0.683 27 HE2 TYR 3 HE2 TYR 3 -10.643 -2.091 -1.429 28 HH TYR 3 HH TYR 3 -11.650 -0.003 -1.905 29 H LYS 4 HN LYS 4 -5.615 -4.296 2.794 30 HA LYS 4 HA LYS 4 -3.840 -3.104 4.879 31 1HB LYS 4 HB2 LYS 4 -5.014 -5.509 4.941 32 2HB LYS 4 HB1 LYS 4 -3.600 -5.955 4.002 33 1HG LYS 4 HG2 LYS 4 -2.395 -4.517 5.967 34 2HG LYS 4 HG1 LYS 4 -3.785 -5.135 6.852 35 1HD LYS 4 HD2 LYS 4 -3.221 -7.435 6.061 36 2HD LYS 4 HD1 LYS 4 -1.789 -6.787 5.271 37 1HE LYS 4 HE2 LYS 4 -0.654 -6.888 7.217 38 2HE LYS 4 HE1 LYS 4 -1.835 -5.823 7.970 39 1HZ LYS 4 HZ1 LYS 4 -3.033 -8.306 7.774 40 2HZ LYS 4 HZ3 LYS 4 -1.457 -8.592 8.340 41 3HZ LYS 4 HZ2 LYS 4 -2.482 -7.531 9.180 42 H LEU 5 HN LEU 5 -1.967 -2.273 4.173 43 HA LEU 5 HA LEU 5 -1.012 -2.963 1.473 44 1HB LEU 5 HB2 LEU 5 -0.920 -0.625 2.005 45 2HB LEU 5 HB1 LEU 5 -0.160 -0.930 3.558 46 HG LEU 5 HG LEU 5 1.896 -1.776 2.282 47 1HD1 LEU 5 HD12 LEU 5 0.401 -0.557 -0.061 48 2HD1 LEU 5 HD11 LEU 5 2.057 -1.141 -0.096 49 3HD1 LEU 5 HD13 LEU 5 0.735 -2.274 0.137 50 1HD2 LEU 5 HD21 LEU 5 1.527 0.612 3.164 51 2HD2 LEU 5 HD23 LEU 5 2.751 0.402 1.918 52 3HD2 LEU 5 HD22 LEU 5 1.170 1.038 1.496 53 H ILE 6 HN ILE 6 1.074 -3.792 1.053 54 HA ILE 6 HA ILE 6 2.503 -5.022 3.332 55 HB ILE 6 HB ILE 6 2.128 -6.343 0.640 56 1HG1 ILE 6 HG12 ILE 6 0.622 -6.651 3.252 57 2HG1 ILE 6 HG11 ILE 6 -0.047 -6.287 1.667 58 1HG2 ILE 6 HG21 ILE 6 4.144 -6.879 2.172 59 2HG2 ILE 6 HG23 ILE 6 2.963 -7.589 3.265 60 3HG2 ILE 6 HG22 ILE 6 3.162 -8.239 1.641 61 1HD1 ILE 6 HD3 ILE 6 0.954 -8.559 0.929 62 2HD1 ILE 6 HD2 ILE 6 1.119 -8.898 2.649 63 3HD1 ILE 6 HD1 ILE 6 -0.471 -8.605 1.959 64 H LEU 7 HN LEU 7 4.256 -3.715 3.400 65 HA LEU 7 HA LEU 7 5.498 -2.697 0.967 66 1HB LEU 7 HB2 LEU 7 6.348 -2.534 3.855 67 2HB LEU 7 HB1 LEU 7 7.142 -1.689 2.534 68 HG LEU 7 HG LEU 7 4.240 -1.304 2.515 69 1HD1 LEU 7 HD12 LEU 7 5.855 -0.479 4.947 70 2HD1 LEU 7 HD11 LEU 7 4.314 0.257 4.517 71 3HD1 LEU 7 HD13 LEU 7 4.390 -1.455 4.925 72 1HD2 LEU 7 HD23 LEU 7 6.615 0.585 2.702 73 2HD2 LEU 7 HD22 LEU 7 5.858 0.038 1.210 74 3HD2 LEU 7 HD21 LEU 7 4.963 1.064 2.326 75 H ASN 8 HN ASN 8 6.721 -3.949 -0.276 76 HA ASN 8 HA ASN 8 8.411 -6.031 1.033 77 1HB ASN 8 HB2 ASN 8 6.904 -5.852 -1.461 78 2HB ASN 8 HB1 ASN 8 8.555 -6.365 -1.742 79 1HD2 ASN 8 HD22 ASN 8 6.012 -9.053 -0.495 80 2HD2 ASN 8 HD21 ASN 8 5.643 -7.650 -1.365 81 H GLY 9 HN GLY 9 9.209 -3.371 1.290 82 1HA GLY 9 HA2 GLY 9 10.920 -2.335 -0.691 83 2HA GLY 9 HA1 GLY 9 11.150 -2.065 1.031 84 H LYS 10 HN LYS 10 13.071 -2.601 -1.179 85 HA LYS 10 HA LYS 10 14.138 -5.256 -0.875 86 1HB LYS 10 HB2 LYS 10 14.679 -3.005 -2.468 87 2HB LYS 10 HB1 LYS 10 16.158 -3.296 -1.558 88 1HG LYS 10 HG2 LYS 10 15.992 -5.731 -2.227 89 2HG LYS 10 HG1 LYS 10 14.658 -5.289 -3.287 90 1HD LYS 10 HD2 LYS 10 17.474 -4.156 -3.419 91 2HD LYS 10 HD1 LYS 10 16.790 -5.330 -4.536 92 1HE LYS 10 HE2 LYS 10 16.380 -3.361 -5.705 93 2HE LYS 10 HE1 LYS 10 14.886 -3.496 -4.787 94 1HZ LYS 10 HZ3 LYS 10 16.442 -2.187 -3.061 95 2HZ LYS 10 HZ2 LYS 10 17.047 -1.594 -4.532 96 3HZ LYS 10 HZ1 LYS 10 15.398 -1.428 -4.164 97 H THR 11 HN THR 11 14.848 -2.156 0.641 98 HA THR 11 HA THR 11 16.794 -3.492 2.446 99 HB THR 11 HB THR 11 17.012 -0.902 3.148 100 HG1 THR 11 HG1 THR 11 15.501 -0.001 1.904 101 1HG2 THR 11 HG23 THR 11 18.107 -2.406 0.790 102 2HG2 THR 11 HG22 THR 11 18.384 -0.668 0.856 103 3HG2 THR 11 HG21 THR 11 18.978 -1.705 2.150 104 H LEU 12 HN LEU 12 13.560 -2.963 2.376 105 HA LEU 12 HA LEU 12 13.352 -3.262 5.282 106 1HB LEU 12 HB2 LEU 12 13.623 -0.739 4.763 107 2HB LEU 12 HB1 LEU 12 11.983 -0.839 4.136 108 HG LEU 12 HG LEU 12 11.687 -2.157 6.510 109 1HD1 LEU 12 HD11 LEU 12 14.061 -1.645 7.112 110 2HD1 LEU 12 HD13 LEU 12 13.695 0.072 6.991 111 3HD1 LEU 12 HD12 LEU 12 12.917 -0.908 8.228 112 1HD2 LEU 12 HD21 LEU 12 11.467 0.787 5.834 113 2HD2 LEU 12 HD23 LEU 12 10.182 -0.417 5.848 114 3HD2 LEU 12 HD22 LEU 12 10.890 0.133 7.364 115 H LYS 13 HN LYS 13 11.283 -3.894 5.972 116 HA LYS 13 HA LYS 13 9.221 -4.261 3.849 117 1HB LYS 13 HB2 LYS 13 9.972 -6.431 5.818 118 2HB LYS 13 HB1 LYS 13 8.845 -6.558 4.479 119 1HG LYS 13 HG2 LYS 13 10.687 -7.446 3.421 120 2HG LYS 13 HG1 LYS 13 11.016 -5.751 3.104 121 1HD LYS 13 HD2 LYS 13 13.051 -6.366 4.030 122 2HD LYS 13 HD1 LYS 13 12.203 -5.905 5.500 123 1HE LYS 13 HE2 LYS 13 12.787 -8.658 4.438 124 2HE LYS 13 HE1 LYS 13 13.032 -8.026 6.060 125 1HZ LYS 13 HZ2 LYS 13 10.394 -8.560 4.814 126 2HZ LYS 13 HZ1 LYS 13 11.167 -9.560 5.947 127 3HZ LYS 13 HZ3 LYS 13 10.660 -8.002 6.395 128 H GLY 14 HN GLY 14 7.139 -4.007 4.560 129 1HA GLY 14 HA2 GLY 14 6.516 -4.070 7.423 130 2HA GLY 14 HA1 GLY 14 6.467 -2.458 6.717 131 H GLU 15 HN GLU 15 4.174 -2.720 7.476 132 HA GLU 15 HA GLU 15 2.432 -3.151 5.249 133 1HB GLU 15 HB2 GLU 15 1.175 -5.106 6.104 134 2HB GLU 15 HB1 GLU 15 2.840 -5.533 5.734 135 1HG GLU 15 HG2 GLU 15 3.017 -4.690 8.365 136 2HG GLU 15 HG1 GLU 15 1.455 -5.503 8.329 137 H THR 16 HN THR 16 0.674 -1.912 5.603 138 HA THR 16 HA THR 16 -0.311 -1.555 8.377 139 HB THR 16 HB THR 16 1.237 0.309 8.262 140 HG1 THR 16 HG1 THR 16 -0.407 1.437 8.961 141 1HG2 THR 16 HG23 THR 16 0.459 0.294 5.447 142 2HG2 THR 16 HG22 THR 16 0.241 1.892 6.152 143 3HG2 THR 16 HG21 THR 16 1.820 1.115 6.202 144 H THR 17 HN THR 17 -2.435 -0.627 8.478 145 HA THR 17 HA THR 17 -3.946 -0.988 5.920 146 HB THR 17 HB THR 17 -5.791 -1.776 7.212 147 HG1 THR 17 HG1 THR 17 -4.537 -0.056 8.998 148 1HG2 THR 17 HG22 THR 17 -3.356 -3.001 7.679 149 2HG2 THR 17 HG21 THR 17 -3.857 -2.570 9.310 150 3HG2 THR 17 HG23 THR 17 -4.889 -3.590 8.313 151 H THR 18 HN THR 18 -5.077 0.675 5.096 152 HA THR 18 HA THR 18 -5.425 3.123 6.793 153 HB THR 18 HB THR 18 -3.645 3.206 4.846 154 HG1 THR 18 HG1 THR 18 -5.846 4.993 5.152 155 1HG2 THR 18 HG23 THR 18 -5.594 2.314 3.236 156 2HG2 THR 18 HG22 THR 18 -6.070 4.007 3.259 157 3HG2 THR 18 HG21 THR 18 -4.474 3.550 2.675 158 H GLU 19 HN GLU 19 -7.308 4.351 6.415 159 HA GLU 19 HA GLU 19 -9.550 2.750 5.353 160 1HB GLU 19 HB2 GLU 19 -9.832 5.525 6.469 161 2HB GLU 19 HB1 GLU 19 -10.962 4.179 6.553 162 1HG GLU 19 HG2 GLU 19 -10.111 4.022 8.692 163 2HG GLU 19 HG1 GLU 19 -8.880 3.069 7.868 164 H ALA 20 HN ALA 20 -10.254 2.981 3.332 165 HA ALA 20 HA ALA 20 -10.055 5.650 2.027 166 1HB ALA 20 HB1 ALA 20 -8.535 3.274 1.324 167 2HB ALA 20 HB3 ALA 20 -9.527 3.822 -0.022 168 3HB ALA 20 HB2 ALA 20 -8.369 4.918 0.722 169 H VAL 21 HN VAL 21 -11.748 6.124 0.689 170 HA VAL 21 HA VAL 21 -14.036 4.274 0.786 171 HB VAL 21 HB VAL 21 -14.218 6.782 1.142 172 1HG1 VAL 21 HG13 VAL 21 -12.651 7.188 -0.886 173 2HG1 VAL 21 HG12 VAL 21 -14.085 6.919 -1.873 174 3HG1 VAL 21 HG11 VAL 21 -14.047 8.246 -0.717 175 1HG2 VAL 21 HG23 VAL 21 -16.167 5.328 0.597 176 2HG2 VAL 21 HG22 VAL 21 -16.337 6.936 -0.101 177 3HG2 VAL 21 HG21 VAL 21 -15.856 5.581 -1.117 178 H ASP 22 HN ASP 22 -11.531 5.129 -1.384 179 HA ASP 22 HA ASP 22 -12.758 3.377 -3.448 180 1HB ASP 22 HB2 ASP 22 -12.161 4.982 -5.237 181 2HB ASP 22 HB1 ASP 22 -13.334 5.671 -4.119 182 H ALA 23 HN ALA 23 -11.194 2.593 -5.016 183 HA ALA 23 HA ALA 23 -8.709 1.838 -3.779 184 1HB ALA 23 HB1 ALA 23 -10.009 1.433 -6.424 185 2HB ALA 23 HB3 ALA 23 -8.262 1.217 -6.355 186 3HB ALA 23 HB2 ALA 23 -9.310 0.249 -5.324 187 H ALA 24 HN ALA 24 -9.634 4.404 -5.960 188 HA ALA 24 HA ALA 24 -7.041 5.121 -6.912 189 1HB ALA 24 HB3 ALA 24 -9.583 6.047 -7.339 190 2HB ALA 24 HB2 ALA 24 -8.882 7.364 -6.403 191 3HB ALA 24 HB1 ALA 24 -8.125 6.853 -7.909 192 H THR 25 HN THR 25 -8.921 6.754 -4.365 193 HA THR 25 HA THR 25 -6.815 8.349 -3.379 194 HB THR 25 HB THR 25 -9.401 8.262 -2.726 195 HG1 THR 25 HG1 THR 25 -7.271 8.810 -0.915 196 1HG2 THR 25 HG23 THR 25 -8.901 5.984 -1.483 197 2HG2 THR 25 HG22 THR 25 -8.136 7.019 -0.281 198 3HG2 THR 25 HG21 THR 25 -9.848 7.211 -0.647 199 H ALA 26 HN ALA 26 -7.446 4.965 -2.924 200 HA ALA 26 HA ALA 26 -5.767 4.631 -0.585 201 1HB ALA 26 HB2 ALA 26 -7.509 2.983 -1.260 202 2HB ALA 26 HB1 ALA 26 -6.545 2.580 -2.678 203 3HB ALA 26 HB3 ALA 26 -5.926 2.237 -1.065 204 H GLU 27 HN GLU 27 -5.265 4.360 -4.067 205 HA GLU 27 HA GLU 27 -2.627 3.321 -4.027 206 1HB GLU 27 HB2 GLU 27 -4.093 5.101 -5.974 207 2HB GLU 27 HB1 GLU 27 -2.446 4.566 -6.268 208 1HG GLU 27 HG2 GLU 27 -3.217 2.192 -5.989 209 2HG GLU 27 HG1 GLU 27 -4.867 2.788 -5.845 210 H LYS 28 HN LYS 28 -3.847 6.575 -3.590 211 HA LYS 28 HA LYS 28 -1.122 7.712 -3.604 212 1HB LYS 28 HB2 LYS 28 -3.315 9.430 -2.653 213 2HB LYS 28 HB1 LYS 28 -2.118 9.725 -3.908 214 1HG LYS 28 HG2 LYS 28 -3.400 8.175 -5.421 215 2HG LYS 28 HG1 LYS 28 -4.632 8.035 -4.175 216 1HD LYS 28 HD2 LYS 28 -5.482 10.113 -4.589 217 2HD LYS 28 HD1 LYS 28 -3.898 10.820 -4.873 218 1HE LYS 28 HE2 LYS 28 -5.231 8.932 -6.830 219 2HE LYS 28 HE1 LYS 28 -5.404 10.680 -6.920 220 1HZ LYS 28 HZ3 LYS 28 -2.695 9.632 -6.706 221 2HZ LYS 28 HZ2 LYS 28 -3.502 9.375 -8.177 222 3HZ LYS 28 HZ1 LYS 28 -3.285 10.955 -7.594 223 H VAL 29 HN VAL 29 -3.802 7.357 -1.296 224 HA VAL 29 HA VAL 29 -2.610 8.493 0.968 225 HB VAL 29 HB VAL 29 -4.467 6.130 0.686 226 1HG1 VAL 29 HG11 VAL 29 -3.233 7.372 3.143 227 2HG1 VAL 29 HG13 VAL 29 -4.844 6.666 3.219 228 3HG1 VAL 29 HG12 VAL 29 -3.465 5.667 2.771 229 1HG2 VAL 29 HG22 VAL 29 -5.121 8.578 0.148 230 2HG2 VAL 29 HG21 VAL 29 -6.159 7.699 1.268 231 3HG2 VAL 29 HG23 VAL 29 -4.985 8.859 1.881 232 H PHE 30 HN PHE 30 -2.391 5.101 -0.087 233 HA PHE 30 HA PHE 30 -0.548 4.351 1.983 234 1HB PHE 30 HB2 PHE 30 -1.487 3.139 -0.581 235 2HB PHE 30 HB1 PHE 30 -0.009 2.502 0.125 236 HD1 PHE 30 HD1 PHE 30 -0.261 2.252 2.878 237 HD2 PHE 30 HD2 PHE 30 -3.425 1.980 0.033 238 HE1 PHE 30 HE1 PHE 30 -1.604 0.965 4.483 239 HE2 PHE 30 HE2 PHE 30 -4.742 0.678 1.641 240 HZ PHE 30 HZ PHE 30 -3.830 0.140 3.852 241 H LYS 31 HN LYS 31 -0.039 5.209 -1.442 242 HA LYS 31 HA LYS 31 2.751 4.934 -1.541 243 1HB LYS 31 HB2 LYS 31 1.257 5.571 -3.458 244 2HB LYS 31 HB1 LYS 31 1.208 7.205 -2.805 245 1HG LYS 31 HG2 LYS 31 3.934 6.594 -2.826 246 2HG LYS 31 HG1 LYS 31 3.346 5.845 -4.302 247 1HD LYS 31 HD2 LYS 31 2.766 8.730 -3.537 248 2HD LYS 31 HD1 LYS 31 4.083 8.242 -4.593 249 1HE LYS 31 HE2 LYS 31 1.196 7.484 -5.123 250 2HE LYS 31 HE1 LYS 31 1.942 8.930 -5.789 251 1HZ LYS 31 HZ2 LYS 31 3.616 7.535 -6.836 252 2HZ LYS 31 HZ1 LYS 31 2.871 6.144 -6.208 253 3HZ LYS 31 HZ3 LYS 31 2.052 7.106 -7.342 254 H GLN 32 HN GLN 32 0.852 7.645 -0.298 255 HA GLN 32 HA GLN 32 2.994 9.412 0.255 256 1HB GLN 32 HB2 GLN 32 0.712 10.173 0.503 257 2HB GLN 32 HB1 GLN 32 0.394 8.963 1.739 258 1HG GLN 32 HG2 GLN 32 1.593 10.108 3.364 259 2HG GLN 32 HG1 GLN 32 2.670 10.858 2.188 260 1HE2 GLN 32 HE22 GLN 32 0.392 13.537 1.444 261 2HE2 GLN 32 HE21 GLN 32 1.624 12.587 0.766 262 OH TYR 33 OH TYR 33 4.782 2.715 8.570 263 H TYR 33 HN TYR 33 1.743 6.652 2.041 264 HA TYR 33 HA TYR 33 3.404 7.045 4.374 265 1HB TYR 33 HB2 TYR 33 1.359 5.637 4.401 266 2HB TYR 33 HB1 TYR 33 2.156 4.490 3.329 267 HD1 TYR 33 HD1 TYR 33 4.260 3.334 4.119 268 HD2 TYR 33 HD2 TYR 33 1.829 5.624 6.750 269 HE1 TYR 33 HE1 TYR 33 5.326 2.257 6.039 270 HE2 TYR 33 HE2 TYR 33 2.894 4.542 8.676 271 HH TYR 33 HH TYR 33 4.620 1.770 8.505 272 H ALA 34 HN ALA 34 3.611 4.522 1.873 273 HA ALA 34 HA ALA 34 6.109 3.475 2.459 274 1HB ALA 34 HB3 ALA 34 4.365 3.422 0.240 275 2HB ALA 34 HB2 ALA 34 5.948 3.854 -0.397 276 3HB ALA 34 HB1 ALA 34 5.748 2.372 0.532 277 H ASN 35 HN ASN 35 5.386 6.578 1.062 278 HA ASN 35 HA ASN 35 7.954 7.221 0.006 279 1HB ASN 35 HB2 ASN 35 5.751 8.519 -0.245 280 2HB ASN 35 HB1 ASN 35 6.119 9.223 1.327 281 1HD2 ASN 35 HD22 ASN 35 7.615 11.244 -1.548 282 2HD2 ASN 35 HD21 ASN 35 6.066 10.580 -1.340 283 H ASP 36 HN ASP 36 6.582 7.696 3.239 284 HA ASP 36 HA ASP 36 8.695 9.120 4.430 285 1HB ASP 36 HB2 ASP 36 6.545 7.336 5.385 286 2HB ASP 36 HB1 ASP 36 7.924 7.485 6.470 287 H ASN 37 HN ASN 37 8.689 5.953 3.192 288 HA ASN 37 HA ASN 37 11.205 5.289 4.677 289 1HB ASN 37 HB2 ASN 37 9.242 3.462 3.268 290 2HB ASN 37 HB1 ASN 37 10.717 2.934 4.074 291 1HD2 ASN 37 HD22 ASN 37 7.691 4.442 6.432 292 2HD2 ASN 37 HD21 ASN 37 7.898 5.056 4.864 293 H GLY 38 HN GLY 38 9.814 5.919 1.591 294 1HA GLY 38 HA2 GLY 38 11.090 6.486 -0.362 295 2HA GLY 38 HA1 GLY 38 12.498 5.717 0.366 296 H VAL 39 HN VAL 39 9.199 4.576 -0.307 297 HA VAL 39 HA VAL 39 10.391 2.338 -1.907 298 HB VAL 39 HB VAL 39 8.034 2.295 -0.003 299 1HG1 VAL 39 HG12 VAL 39 9.005 0.327 -2.084 300 2HG1 VAL 39 HG11 VAL 39 8.105 -0.212 -0.669 301 3HG1 VAL 39 HG13 VAL 39 7.365 0.907 -1.811 302 1HG2 VAL 39 HG21 VAL 39 10.699 0.831 -0.054 303 2HG2 VAL 39 HG23 VAL 39 10.250 2.114 1.064 304 3HG2 VAL 39 HG22 VAL 39 9.421 0.562 1.127 305 H ASP 40 HN ASP 40 10.031 3.236 -3.923 306 HA ASP 40 HA ASP 40 7.189 3.320 -4.757 307 1HB ASP 40 HB2 ASP 40 9.133 5.605 -5.174 308 2HB ASP 40 HB1 ASP 40 7.556 5.483 -5.950 309 H GLY 41 HN GLY 41 7.198 1.805 -6.302 310 1HA GLY 41 HA2 GLY 41 8.802 2.218 -8.704 311 2HA GLY 41 HA1 GLY 41 9.285 0.787 -7.796 312 H GLU 42 HN GLU 42 7.456 -0.703 -7.208 313 HA GLU 42 HA GLU 42 5.462 -0.832 -9.445 314 1HB GLU 42 HB2 GLU 42 7.067 -2.952 -8.062 315 2HB GLU 42 HB1 GLU 42 5.561 -3.362 -8.871 316 1HG GLU 42 HG2 GLU 42 7.496 -1.665 -10.389 317 2HG GLU 42 HG1 GLU 42 7.916 -3.363 -10.175 318 CH2 TRP 43 CH2 TRP 43 2.204 2.406 -2.094 319 H TRP 43 HN TRP 43 3.396 -0.797 -8.842 320 HA TRP 43 HA TRP 43 2.753 -1.384 -5.976 321 1HB TRP 43 HB2 TRP 43 1.773 0.732 -7.861 322 2HB TRP 43 HB1 TRP 43 0.785 0.233 -6.498 323 HD1 TRP 43 HD1 TRP 43 4.399 1.411 -7.224 324 HE1 TRP 43 HE1 TRP 43 5.138 2.727 -5.177 325 HE3 TRP 43 HE3 TRP 43 0.425 0.649 -4.329 326 HZ2 TRP 43 HZ2 TRP 43 4.126 3.269 -2.439 327 HZ3 TRP 43 HZ3 TRP 43 0.304 1.446 -2.026 328 HH2 TRP 43 HH2 TRP 43 2.148 2.747 -1.072 329 H THR 44 HN THR 44 1.202 -2.830 -5.566 330 HA THR 44 HA THR 44 -0.423 -3.833 -7.879 331 HB THR 44 HB THR 44 -0.340 -6.087 -6.588 332 HG1 THR 44 HG1 THR 44 1.143 -6.120 -4.971 333 1HG2 THR 44 HG22 THR 44 1.313 -5.224 -8.555 334 2HG2 THR 44 HG21 THR 44 2.476 -5.286 -7.236 335 3HG2 THR 44 HG23 THR 44 1.603 -6.739 -7.710 336 OH TYR 45 OH TYR 45 -8.862 -1.202 -3.103 337 H TYR 45 HN TYR 45 -2.426 -4.958 -7.187 338 HA TYR 45 HA TYR 45 -3.579 -3.913 -4.640 339 1HB TYR 45 HB2 TYR 45 -4.073 -2.456 -6.733 340 2HB TYR 45 HB1 TYR 45 -5.106 -3.789 -7.251 341 HD1 TYR 45 HD1 TYR 45 -6.623 -4.658 -4.940 342 HD2 TYR 45 HD2 TYR 45 -5.322 -0.722 -5.867 343 HE1 TYR 45 HE1 TYR 45 -8.368 -3.745 -3.507 344 HE2 TYR 45 HE2 TYR 45 -7.115 0.192 -4.481 345 HH TYR 45 HH TYR 45 -8.555 -1.204 -2.193 346 H ASP 46 HN ASP 46 -4.603 -5.515 -3.590 347 HA ASP 46 HA ASP 46 -5.356 -7.967 -5.133 348 1HB ASP 46 HB2 ASP 46 -3.677 -8.070 -3.179 349 2HB ASP 46 HB1 ASP 46 -5.071 -7.804 -2.137 350 H ASP 47 HN ASP 47 -7.374 -6.969 -5.785 351 HA ASP 47 HA ASP 47 -9.308 -6.098 -3.814 352 1HB ASP 47 HB2 ASP 47 -9.442 -5.296 -6.115 353 2HB ASP 47 HB1 ASP 47 -9.659 -6.943 -6.701 354 H ALA 48 HN ALA 48 -8.095 -9.083 -4.403 355 HA ALA 48 HA ALA 48 -10.593 -10.609 -4.235 356 1HB ALA 48 HB3 ALA 48 -7.941 -11.165 -4.997 357 2HB ALA 48 HB2 ALA 48 -8.234 -12.138 -3.560 358 3HB ALA 48 HB1 ALA 48 -9.291 -12.295 -4.959 359 H THR 49 HN THR 49 -8.466 -9.088 -2.054 360 HA THR 49 HA THR 49 -9.979 -10.230 0.215 361 HB THR 49 HB THR 49 -7.715 -10.643 1.427 362 HG1 THR 49 HG1 THR 49 -6.985 -9.568 -0.862 363 1HG2 THR 49 HG21 THR 49 -9.177 -12.489 0.349 364 2HG2 THR 49 HG23 THR 49 -8.125 -12.342 -1.056 365 3HG2 THR 49 HG22 THR 49 -7.460 -12.853 0.492 366 H LYS 50 HN LYS 50 -9.174 -7.597 -1.284 367 HA LYS 50 HA LYS 50 -8.844 -5.357 -0.671 368 1HB LYS 50 HB2 LYS 50 -9.766 -6.295 2.054 369 2HB LYS 50 HB1 LYS 50 -9.869 -4.662 1.402 370 1HG LYS 50 HG2 LYS 50 -11.110 -6.342 -0.507 371 2HG LYS 50 HG1 LYS 50 -11.714 -6.872 1.054 372 1HD LYS 50 HD2 LYS 50 -11.714 -4.007 0.032 373 2HD LYS 50 HD1 LYS 50 -13.122 -5.056 0.125 374 1HE LYS 50 HE2 LYS 50 -11.742 -3.561 2.273 375 2HE LYS 50 HE1 LYS 50 -13.417 -4.082 2.170 376 1HZ LYS 50 HZ3 LYS 50 -12.505 -6.395 2.599 377 2HZ LYS 50 HZ2 LYS 50 -11.074 -5.621 3.082 378 3HZ LYS 50 HZ1 LYS 50 -12.526 -5.308 3.903 379 H THR 51 HN THR 51 -6.527 -6.345 -0.873 380 HA THR 51 HA THR 51 -5.032 -5.453 1.549 381 HB THR 51 HB THR 51 -4.824 -8.156 0.181 382 HG1 THR 51 HG1 THR 51 -5.686 -8.569 2.061 383 1HG2 THR 51 HG21 THR 51 -2.766 -6.820 1.986 384 2HG2 THR 51 HG23 THR 51 -2.768 -8.519 1.544 385 3HG2 THR 51 HG22 THR 51 -2.486 -7.294 0.314 386 H PHE 52 HN PHE 52 -3.749 -3.812 0.825 387 HA PHE 52 HA PHE 52 -3.030 -3.629 -1.999 388 1HB PHE 52 HB2 PHE 52 -3.034 -1.883 0.302 389 2HB PHE 52 HB1 PHE 52 -1.504 -1.784 -0.559 390 HD1 PHE 52 HD1 PHE 52 -1.487 -1.163 -3.004 391 HD2 PHE 52 HD2 PHE 52 -5.060 -1.137 -0.730 392 HE1 PHE 52 HE1 PHE 52 -2.613 0.149 -4.761 393 HE2 PHE 52 HE2 PHE 52 -6.133 0.289 -2.387 394 HZ PHE 52 HZ PHE 52 -4.901 0.965 -4.393 395 H THR 53 HN THR 53 -0.728 -3.381 -2.656 396 HA THR 53 HA THR 53 1.312 -4.418 -0.841 397 HB THR 53 HB THR 53 0.442 -6.080 -3.234 398 HG1 THR 53 HG1 THR 53 0.393 -6.289 -0.399 399 1HG2 THR 53 HG23 THR 53 2.944 -5.940 -1.703 400 2HG2 THR 53 HG22 THR 53 2.170 -7.514 -1.558 401 3HG2 THR 53 HG21 THR 53 2.591 -6.883 -3.147 402 H VAL 54 HN VAL 54 3.300 -3.712 -1.426 403 HA VAL 54 HA VAL 54 3.674 -2.732 -4.222 404 HB VAL 54 HB VAL 54 3.062 -0.817 -2.705 405 1HG1 VAL 54 HG13 VAL 54 4.181 -1.887 -0.709 406 2HG1 VAL 54 HG12 VAL 54 5.724 -1.394 -1.392 407 3HG1 VAL 54 HG11 VAL 54 4.536 -0.181 -0.928 408 1HG2 VAL 54 HG22 VAL 54 5.857 -0.912 -3.873 409 2HG2 VAL 54 HG21 VAL 54 4.406 -0.267 -4.617 410 3HG2 VAL 54 HG23 VAL 54 5.135 0.557 -3.249 411 H THR 55 HN THR 55 5.837 -2.771 -4.906 412 HA THR 55 HA THR 55 7.825 -3.977 -3.056 413 HB THR 55 HB THR 55 7.303 -5.129 -5.827 414 HG1 THR 55 HG1 THR 55 6.002 -5.308 -3.464 415 1HG2 THR 55 HG23 THR 55 9.335 -5.542 -3.782 416 2HG2 THR 55 HG22 THR 55 8.352 -6.992 -3.966 417 3HG2 THR 55 HG21 THR 55 9.193 -6.315 -5.353 418 H GLU 56 HN GLU 56 9.517 -2.619 -3.143 419 HA GLU 56 HA GLU 56 9.965 -0.704 -5.210 420 1HB GLU 56 HB2 GLU 56 11.032 -1.183 -2.717 421 2HB GLU 56 HB1 GLU 56 12.379 -1.570 -3.779 422 1HG GLU 56 HG2 GLU 56 10.772 1.009 -3.836 423 2HG GLU 56 HG1 GLU 56 12.400 0.829 -3.188 Start of MODEL 42 Raw file had 423 H/Q atoms Entry Start of MODEL 42 1 1H MET 1 HT2 MET 1 -13.730 1.931 5.014 2 2H MET 1 HT1 MET 1 -14.376 2.116 3.455 3 3H MET 1 HT3 MET 1 -15.140 1.092 4.574 4 HA MET 1 HA MET 1 -13.767 -0.610 4.189 5 1HB MET 1 HB2 MET 1 -13.259 1.168 1.795 6 2HB MET 1 HB1 MET 1 -12.699 -0.498 1.889 7 1HG MET 1 HG2 MET 1 -15.574 0.275 2.358 8 2HG MET 1 HG1 MET 1 -14.965 -0.069 0.761 9 1HE MET 1 HE2 MET 1 -17.124 -1.020 1.042 10 2HE MET 1 HE1 MET 1 -17.014 -2.731 0.630 11 3HE MET 1 HE3 MET 1 -17.586 -2.244 2.225 12 H THR 2 HN THR 2 -11.691 -1.459 4.380 13 HA THR 2 HA THR 2 -9.434 0.470 4.570 14 HB THR 2 HB THR 2 -9.979 -1.569 6.758 15 HG1 THR 2 HG1 THR 2 -11.150 -0.013 7.661 16 1HG2 THR 2 HG21 THR 2 -7.623 -0.520 6.378 17 2HG2 THR 2 HG23 THR 2 -8.379 0.995 6.853 18 3HG2 THR 2 HG22 THR 2 -8.328 -0.350 7.983 19 OH TYR 3 OH TYR 3 -11.673 -0.080 -1.095 20 H TYR 3 HN TYR 3 -7.860 -0.304 3.308 21 HA TYR 3 HA TYR 3 -7.727 -3.249 2.846 22 1HB TYR 3 HB2 TYR 3 -6.160 -1.142 1.366 23 2HB TYR 3 HB1 TYR 3 -6.522 -2.780 0.852 24 HD1 TYR 3 HD1 TYR 3 -7.970 0.577 1.421 25 HD2 TYR 3 HD2 TYR 3 -8.672 -3.324 -0.123 26 HE1 TYR 3 HE1 TYR 3 -10.028 1.370 0.350 27 HE2 TYR 3 HE2 TYR 3 -10.729 -2.530 -1.193 28 HH TYR 3 HH TYR 3 -11.516 -0.030 -2.041 29 H LYS 4 HN LYS 4 -5.663 -4.309 2.896 30 HA LYS 4 HA LYS 4 -3.880 -3.148 4.992 31 1HB LYS 4 HB2 LYS 4 -5.079 -5.540 4.995 32 2HB LYS 4 HB1 LYS 4 -3.655 -5.982 4.073 33 1HG LYS 4 HG2 LYS 4 -2.395 -4.656 6.006 34 2HG LYS 4 HG1 LYS 4 -3.852 -5.049 6.910 35 1HD LYS 4 HD2 LYS 4 -2.500 -6.922 7.330 36 2HD LYS 4 HD1 LYS 4 -3.491 -7.468 5.981 37 1HE LYS 4 HE2 LYS 4 -1.487 -7.988 5.018 38 2HE LYS 4 HE1 LYS 4 -1.413 -6.271 4.649 39 1HZ LYS 4 HZ2 LYS 4 -0.323 -6.016 6.887 40 2HZ LYS 4 HZ1 LYS 4 -0.156 -7.706 6.906 41 3HZ LYS 4 HZ3 LYS 4 0.596 -6.790 5.687 42 H LEU 5 HN LEU 5 -1.973 -2.350 4.334 43 HA LEU 5 HA LEU 5 -1.022 -3.012 1.615 44 1HB LEU 5 HB2 LEU 5 -0.954 -0.675 2.141 45 2HB LEU 5 HB1 LEU 5 -0.190 -0.967 3.692 46 HG LEU 5 HG LEU 5 1.875 -1.793 2.414 47 1HD1 LEU 5 HD12 LEU 5 0.362 -0.601 0.069 48 2HD1 LEU 5 HD11 LEU 5 2.023 -1.166 0.032 49 3HD1 LEU 5 HD13 LEU 5 0.716 -2.311 0.271 50 1HD2 LEU 5 HD22 LEU 5 1.445 0.614 3.271 51 2HD2 LEU 5 HD21 LEU 5 2.718 0.378 2.080 52 3HD2 LEU 5 HD23 LEU 5 1.156 1.003 1.581 53 H ILE 6 HN ILE 6 1.083 -3.797 1.205 54 HA ILE 6 HA ILE 6 2.564 -4.947 3.481 55 HB ILE 6 HB ILE 6 2.059 -6.428 0.891 56 1HG1 ILE 6 HG12 ILE 6 0.706 -6.573 3.601 57 2HG1 ILE 6 HG11 ILE 6 -0.053 -6.325 2.032 58 1HG2 ILE 6 HG23 ILE 6 4.167 -6.877 2.316 59 2HG2 ILE 6 HG22 ILE 6 3.065 -7.508 3.534 60 3HG2 ILE 6 HG21 ILE 6 3.154 -8.266 1.948 61 1HD1 ILE 6 HD1 ILE 6 0.907 -8.642 1.399 62 2HD1 ILE 6 HD3 ILE 6 1.192 -8.859 3.123 63 3HD1 ILE 6 HD2 ILE 6 -0.445 -8.621 2.526 64 H LEU 7 HN LEU 7 4.337 -3.667 3.402 65 HA LEU 7 HA LEU 7 5.448 -2.760 0.864 66 1HB LEU 7 HB2 LEU 7 6.496 -2.500 3.682 67 2HB LEU 7 HB1 LEU 7 7.175 -1.688 2.278 68 HG LEU 7 HG LEU 7 4.281 -1.325 2.461 69 1HD1 LEU 7 HD11 LEU 7 6.048 -0.451 4.766 70 2HD1 LEU 7 HD13 LEU 7 4.485 0.284 4.421 71 3HD1 LEU 7 HD12 LEU 7 4.581 -1.421 4.853 72 1HD2 LEU 7 HD22 LEU 7 6.643 0.589 2.456 73 2HD2 LEU 7 HD21 LEU 7 5.801 0.000 1.025 74 3HD2 LEU 7 HD23 LEU 7 4.965 1.041 2.172 75 H ASN 8 HN ASN 8 6.718 -3.923 -0.384 76 HA ASN 8 HA ASN 8 8.331 -6.101 0.856 77 1HB ASN 8 HB2 ASN 8 6.770 -5.844 -1.572 78 2HB ASN 8 HB1 ASN 8 8.411 -6.319 -1.955 79 1HD2 ASN 8 HD22 ASN 8 6.007 -9.134 -0.801 80 2HD2 ASN 8 HD21 ASN 8 5.608 -7.725 -1.647 81 H GLY 9 HN GLY 9 9.240 -3.484 1.172 82 1HA GLY 9 HA2 GLY 9 10.968 -2.447 -0.781 83 2HA GLY 9 HA1 GLY 9 11.259 -2.288 0.947 84 H LYS 10 HN LYS 10 13.115 -2.795 -1.325 85 HA LYS 10 HA LYS 10 14.028 -5.480 -1.367 86 1HB LYS 10 HB2 LYS 10 15.659 -2.940 -1.621 87 2HB LYS 10 HB1 LYS 10 16.181 -4.543 -2.125 88 1HG LYS 10 HG2 LYS 10 13.624 -4.158 -3.278 89 2HG LYS 10 HG1 LYS 10 14.502 -2.656 -3.543 90 1HD LYS 10 HD2 LYS 10 15.531 -5.437 -4.217 91 2HD LYS 10 HD1 LYS 10 14.906 -4.276 -5.382 92 1HE LYS 10 HE2 LYS 10 17.056 -3.562 -5.562 93 2HE LYS 10 HE1 LYS 10 16.787 -2.782 -4.009 94 1HZ LYS 10 HZ3 LYS 10 17.386 -5.477 -3.560 95 2HZ LYS 10 HZ2 LYS 10 18.556 -4.845 -4.616 96 3HZ LYS 10 HZ1 LYS 10 18.281 -4.105 -3.112 97 H THR 11 HN THR 11 15.383 -2.775 0.507 98 HA THR 11 HA THR 11 16.573 -4.756 2.378 99 HB THR 11 HB THR 11 17.607 -2.425 3.244 100 HG1 THR 11 HG1 THR 11 17.398 -0.906 1.721 101 1HG2 THR 11 HG22 THR 11 18.322 -4.150 0.891 102 2HG2 THR 11 HG21 THR 11 19.169 -2.617 1.070 103 3HG2 THR 11 HG23 THR 11 19.259 -3.826 2.346 104 H LEU 12 HN LEU 12 13.689 -3.459 2.133 105 HA LEU 12 HA LEU 12 13.344 -3.328 5.071 106 1HB LEU 12 HB2 LEU 12 13.791 -0.981 4.065 107 2HB LEU 12 HB1 LEU 12 12.172 -1.122 3.393 108 HG LEU 12 HG LEU 12 11.588 -1.852 5.897 109 1HD1 LEU 12 HD12 LEU 12 14.175 -1.518 6.341 110 2HD1 LEU 12 HD11 LEU 12 13.728 0.182 6.455 111 3HD1 LEU 12 HD13 LEU 12 13.002 -0.993 7.546 112 1HD2 LEU 12 HD23 LEU 12 11.938 0.897 4.706 113 2HD2 LEU 12 HD22 LEU 12 10.447 0.004 4.994 114 3HD2 LEU 12 HD21 LEU 12 11.323 0.711 6.346 115 H LYS 13 HN LYS 13 11.209 -3.709 5.756 116 HA LYS 13 HA LYS 13 9.138 -4.198 3.712 117 1HB LYS 13 HB2 LYS 13 10.209 -6.380 5.520 118 2HB LYS 13 HB1 LYS 13 8.724 -6.514 4.588 119 1HG LYS 13 HG2 LYS 13 10.139 -5.946 2.523 120 2HG LYS 13 HG1 LYS 13 11.550 -6.209 3.541 121 1HD LYS 13 HD2 LYS 13 10.220 -8.459 4.139 122 2HD LYS 13 HD1 LYS 13 9.542 -8.181 2.538 123 1HE LYS 13 HE2 LYS 13 12.412 -8.665 3.316 124 2HE LYS 13 HE1 LYS 13 11.464 -9.450 2.061 125 1HZ LYS 13 HZ1 LYS 13 11.558 -6.722 1.488 126 2HZ LYS 13 HZ3 LYS 13 13.143 -7.225 1.837 127 3HZ LYS 13 HZ2 LYS 13 12.254 -8.004 0.617 128 H GLY 14 HN GLY 14 7.081 -3.962 4.528 129 1HA GLY 14 HA2 GLY 14 6.601 -4.014 7.418 130 2HA GLY 14 HA1 GLY 14 6.526 -2.401 6.715 131 H GLU 15 HN GLU 15 4.264 -2.569 7.530 132 HA GLU 15 HA GLU 15 2.443 -3.074 5.383 133 1HB GLU 15 HB2 GLU 15 1.173 -4.942 6.618 134 2HB GLU 15 HB1 GLU 15 2.652 -5.399 5.781 135 1HG GLU 15 HG2 GLU 15 3.768 -5.838 7.732 136 2HG GLU 15 HG1 GLU 15 3.034 -4.474 8.570 137 H THR 16 HN THR 16 0.546 -2.017 5.764 138 HA THR 16 HA THR 16 -0.354 -1.498 8.512 139 HB THR 16 HB THR 16 1.262 0.339 8.282 140 HG1 THR 16 HG1 THR 16 -0.869 0.703 9.153 141 1HG2 THR 16 HG21 THR 16 0.473 0.283 5.548 142 2HG2 THR 16 HG23 THR 16 -0.105 1.813 6.195 143 3HG2 THR 16 HG22 THR 16 1.605 1.404 6.292 144 H THR 17 HN THR 17 -2.485 -0.582 8.590 145 HA THR 17 HA THR 17 -3.984 -0.978 6.029 146 HB THR 17 HB THR 17 -5.830 -1.756 7.321 147 HG1 THR 17 HG1 THR 17 -5.636 -1.254 9.682 148 1HG2 THR 17 HG21 THR 17 -3.399 -2.964 7.827 149 2HG2 THR 17 HG23 THR 17 -3.905 -2.500 9.447 150 3HG2 THR 17 HG22 THR 17 -4.932 -3.543 8.468 151 H THR 18 HN THR 18 -5.064 0.697 5.161 152 HA THR 18 HA THR 18 -5.420 3.167 6.826 153 HB THR 18 HB THR 18 -3.657 3.204 4.861 154 HG1 THR 18 HG1 THR 18 -4.089 5.311 4.967 155 1HG2 THR 18 HG21 THR 18 -5.622 2.294 3.284 156 2HG2 THR 18 HG23 THR 18 -6.098 3.990 3.287 157 3HG2 THR 18 HG22 THR 18 -4.508 3.522 2.692 158 H GLU 19 HN GLU 19 -7.307 4.376 6.474 159 HA GLU 19 HA GLU 19 -9.566 2.788 5.440 160 1HB GLU 19 HB2 GLU 19 -9.626 5.564 6.644 161 2HB GLU 19 HB1 GLU 19 -10.977 4.451 6.473 162 1HG GLU 19 HG2 GLU 19 -10.479 3.623 8.517 163 2HG GLU 19 HG1 GLU 19 -8.961 3.022 7.858 164 H ALA 20 HN ALA 20 -10.318 3.003 3.430 165 HA ALA 20 HA ALA 20 -10.054 5.635 2.062 166 1HB ALA 20 HB3 ALA 20 -8.754 3.094 1.304 167 2HB ALA 20 HB2 ALA 20 -9.581 3.924 -0.011 168 3HB ALA 20 HB1 ALA 20 -8.312 4.749 0.891 169 H VAL 21 HN VAL 21 -11.599 5.990 0.414 170 HA VAL 21 HA VAL 21 -14.011 4.286 0.706 171 HB VAL 21 HB VAL 21 -14.188 6.766 0.977 172 1HG1 VAL 21 HG13 VAL 21 -12.439 7.186 -0.852 173 2HG1 VAL 21 HG12 VAL 21 -13.720 6.859 -2.015 174 3HG1 VAL 21 HG11 VAL 21 -13.865 8.216 -0.904 175 1HG2 VAL 21 HG21 VAL 21 -16.128 5.380 0.252 176 2HG2 VAL 21 HG23 VAL 21 -16.181 6.994 -0.451 177 3HG2 VAL 21 HG22 VAL 21 -15.656 5.626 -1.428 178 H ASP 22 HN ASP 22 -11.579 5.190 -1.603 179 HA ASP 22 HA ASP 22 -12.796 3.283 -3.550 180 1HB ASP 22 HB2 ASP 22 -12.155 4.827 -5.403 181 2HB ASP 22 HB1 ASP 22 -13.383 5.515 -4.344 182 H ALA 23 HN ALA 23 -11.209 2.573 -5.208 183 HA ALA 23 HA ALA 23 -8.741 1.782 -3.913 184 1HB ALA 23 HB2 ALA 23 -9.972 1.351 -6.609 185 2HB ALA 23 HB1 ALA 23 -8.269 0.967 -6.373 186 3HB ALA 23 HB3 ALA 23 -9.496 0.163 -5.400 187 H ALA 24 HN ALA 24 -9.666 4.382 -5.993 188 HA ALA 24 HA ALA 24 -7.064 4.990 -7.061 189 1HB ALA 24 HB3 ALA 24 -9.702 6.127 -7.139 190 2HB ALA 24 HB2 ALA 24 -8.535 7.399 -6.787 191 3HB ALA 24 HB1 ALA 24 -8.352 6.411 -8.234 192 H THR 25 HN THR 25 -8.884 6.629 -4.468 193 HA THR 25 HA THR 25 -6.691 8.203 -3.570 194 HB THR 25 HB THR 25 -9.066 8.646 -2.890 195 HG1 THR 25 HG1 THR 25 -7.718 8.098 -0.525 196 1HG2 THR 25 HG23 THR 25 -9.496 6.126 -2.353 197 2HG2 THR 25 HG22 THR 25 -8.631 6.446 -0.855 198 3HG2 THR 25 HG21 THR 25 -10.124 7.308 -1.213 199 H ALA 26 HN ALA 26 -7.488 4.869 -3.050 200 HA ALA 26 HA ALA 26 -5.919 4.469 -0.670 201 1HB ALA 26 HB2 ALA 26 -7.638 2.861 -1.649 202 2HB ALA 26 HB1 ALA 26 -6.412 2.413 -2.832 203 3HB ALA 26 HB3 ALA 26 -6.129 2.124 -1.117 204 H GLU 27 HN GLU 27 -5.190 4.378 -4.115 205 HA GLU 27 HA GLU 27 -2.525 3.359 -3.904 206 1HB GLU 27 HB2 GLU 27 -4.067 4.909 -5.938 207 2HB GLU 27 HB1 GLU 27 -2.316 4.873 -6.097 208 1HG GLU 27 HG2 GLU 27 -2.261 2.569 -6.453 209 2HG GLU 27 HG1 GLU 27 -3.768 2.298 -5.587 210 H LYS 28 HN LYS 28 -3.806 6.654 -3.898 211 HA LYS 28 HA LYS 28 -1.199 7.902 -3.653 212 1HB LYS 28 HB2 LYS 28 -4.031 8.870 -3.287 213 2HB LYS 28 HB1 LYS 28 -2.650 9.918 -2.981 214 1HG LYS 28 HG2 LYS 28 -1.915 9.797 -5.238 215 2HG LYS 28 HG1 LYS 28 -2.915 8.389 -5.575 216 1HD LYS 28 HD2 LYS 28 -4.451 10.723 -4.632 217 2HD LYS 28 HD1 LYS 28 -3.618 10.998 -6.157 218 1HE LYS 28 HE2 LYS 28 -4.625 8.970 -7.107 219 2HE LYS 28 HE1 LYS 28 -5.409 8.619 -5.571 220 1HZ LYS 28 HZ1 LYS 28 -5.897 11.246 -6.729 221 2HZ LYS 28 HZ3 LYS 28 -6.609 9.918 -7.512 222 3HZ LYS 28 HZ2 LYS 28 -6.946 10.218 -5.875 223 H VAL 29 HN VAL 29 -3.820 7.201 -1.361 224 HA VAL 29 HA VAL 29 -2.696 8.416 0.927 225 HB VAL 29 HB VAL 29 -4.381 5.909 0.719 226 1HG1 VAL 29 HG11 VAL 29 -3.570 7.639 3.073 227 2HG1 VAL 29 HG13 VAL 29 -4.969 6.571 3.121 228 3HG1 VAL 29 HG12 VAL 29 -3.357 5.900 2.894 229 1HG2 VAL 29 HG21 VAL 29 -5.023 8.486 0.021 230 2HG2 VAL 29 HG23 VAL 29 -6.192 7.300 0.595 231 3HG2 VAL 29 HG22 VAL 29 -5.493 8.463 1.719 232 H PHE 30 HN PHE 30 -2.480 4.984 0.005 233 HA PHE 30 HA PHE 30 -0.555 4.322 2.007 234 1HB PHE 30 HB2 PHE 30 -1.514 3.050 -0.520 235 2HB PHE 30 HB1 PHE 30 -0.028 2.440 0.194 236 HD1 PHE 30 HD1 PHE 30 -0.263 2.241 2.951 237 HD2 PHE 30 HD2 PHE 30 -3.444 1.908 0.131 238 HE1 PHE 30 HE1 PHE 30 -1.591 0.976 4.585 239 HE2 PHE 30 HE2 PHE 30 -4.744 0.635 1.769 240 HZ PHE 30 HZ PHE 30 -3.816 0.130 3.978 241 H LYS 31 HN LYS 31 -0.209 5.488 -1.305 242 HA LYS 31 HA LYS 31 2.612 5.083 -1.521 243 1HB LYS 31 HB2 LYS 31 1.246 5.618 -3.474 244 2HB LYS 31 HB1 LYS 31 0.867 7.199 -2.801 245 1HG LYS 31 HG2 LYS 31 2.911 8.068 -3.352 246 2HG LYS 31 HG1 LYS 31 3.760 6.587 -2.933 247 1HD LYS 31 HD2 LYS 31 3.954 6.951 -5.338 248 2HD LYS 31 HD1 LYS 31 2.918 5.556 -5.068 249 1HE LYS 31 HE2 LYS 31 1.902 7.024 -6.752 250 2HE LYS 31 HE1 LYS 31 0.918 7.041 -5.296 251 1HZ LYS 31 HZ2 LYS 31 2.964 9.077 -5.978 252 2HZ LYS 31 HZ1 LYS 31 1.291 9.259 -6.216 253 3HZ LYS 31 HZ3 LYS 31 1.914 9.108 -4.644 254 H GLN 32 HN GLN 32 0.703 7.758 -0.238 255 HA GLN 32 HA GLN 32 2.833 9.581 0.222 256 1HB GLN 32 HB2 GLN 32 0.647 10.432 0.535 257 2HB GLN 32 HB1 GLN 32 0.198 9.113 1.611 258 1HG GLN 32 HG2 GLN 32 1.403 9.999 3.416 259 2HG GLN 32 HG1 GLN 32 2.477 10.926 2.372 260 1HE2 GLN 32 HE22 GLN 32 -1.222 12.583 2.207 261 2HE2 GLN 32 HE21 GLN 32 -0.925 11.020 1.613 262 OH TYR 33 OH TYR 33 4.889 2.890 8.487 263 H TYR 33 HN TYR 33 1.733 6.775 1.990 264 HA TYR 33 HA TYR 33 3.337 7.241 4.352 265 1HB TYR 33 HB2 TYR 33 1.369 5.733 4.346 266 2HB TYR 33 HB1 TYR 33 2.223 4.645 3.259 267 HD1 TYR 33 HD1 TYR 33 4.352 3.547 4.043 268 HD2 TYR 33 HD2 TYR 33 1.843 5.722 6.699 269 HE1 TYR 33 HE1 TYR 33 5.450 2.479 5.951 270 HE2 TYR 33 HE2 TYR 33 2.942 4.652 8.612 271 HH TYR 33 HH TYR 33 5.677 2.446 8.167 272 H ALA 34 HN ALA 34 3.691 4.768 1.826 273 HA ALA 34 HA ALA 34 6.227 3.824 2.414 274 1HB ALA 34 HB1 ALA 34 4.564 3.974 0.033 275 2HB ALA 34 HB3 ALA 34 6.276 4.057 -0.367 276 3HB ALA 34 HB2 ALA 34 5.652 2.690 0.552 277 H ASN 35 HN ASN 35 5.406 6.839 0.793 278 HA ASN 35 HA ASN 35 7.963 7.606 -0.119 279 1HB ASN 35 HB2 ASN 35 5.872 8.855 -0.603 280 2HB ASN 35 HB1 ASN 35 5.838 9.410 1.069 281 1HD2 ASN 35 HD22 ASN 35 9.048 10.726 -1.146 282 2HD2 ASN 35 HD21 ASN 35 8.566 9.103 -1.266 283 H ASP 36 HN ASP 36 6.516 7.928 3.086 284 HA ASP 36 HA ASP 36 8.747 9.396 4.209 285 1HB ASP 36 HB2 ASP 36 6.402 7.908 5.377 286 2HB ASP 36 HB1 ASP 36 7.667 8.563 6.415 287 H ASN 37 HN ASN 37 8.896 6.538 2.885 288 HA ASN 37 HA ASN 37 10.862 5.495 4.880 289 1HB ASN 37 HB2 ASN 37 8.829 3.858 3.341 290 2HB ASN 37 HB1 ASN 37 10.108 3.190 4.351 291 1HD2 ASN 37 HD22 ASN 37 6.707 4.523 6.063 292 2HD2 ASN 37 HD21 ASN 37 6.907 4.455 4.379 293 H GLY 38 HN GLY 38 9.897 5.934 1.571 294 1HA GLY 38 HA2 GLY 38 11.503 6.221 -0.211 295 2HA GLY 38 HA1 GLY 38 12.676 5.309 0.737 296 H VAL 39 HN VAL 39 9.349 4.642 -0.339 297 HA VAL 39 HA VAL 39 10.373 2.223 -1.768 298 HB VAL 39 HB VAL 39 7.888 2.289 -0.034 299 1HG1 VAL 39 HG11 VAL 39 7.814 0.709 -1.944 300 2HG1 VAL 39 HG13 VAL 39 9.354 0.024 -1.434 301 3HG1 VAL 39 HG12 VAL 39 7.928 -0.156 -0.416 302 1HG2 VAL 39 HG22 VAL 39 10.738 1.630 0.520 303 2HG2 VAL 39 HG21 VAL 39 9.485 2.194 1.620 304 3HG2 VAL 39 HG23 VAL 39 9.544 0.499 1.148 305 H ASP 40 HN ASP 40 10.097 3.265 -3.760 306 HA ASP 40 HA ASP 40 7.257 3.469 -4.619 307 1HB ASP 40 HB2 ASP 40 9.313 5.587 -5.291 308 2HB ASP 40 HB1 ASP 40 7.594 5.610 -5.677 309 H GLY 41 HN GLY 41 7.051 2.137 -6.292 310 1HA GLY 41 HA2 GLY 41 8.724 2.344 -8.636 311 2HA GLY 41 HA1 GLY 41 9.121 0.893 -7.719 312 H GLU 42 HN GLU 42 7.448 -0.677 -7.372 313 HA GLU 42 HA GLU 42 5.332 -0.594 -9.491 314 1HB GLU 42 HB2 GLU 42 6.253 -3.087 -8.109 315 2HB GLU 42 HB1 GLU 42 5.520 -2.920 -9.698 316 1HG GLU 42 HG2 GLU 42 7.621 -1.584 -10.351 317 2HG GLU 42 HG1 GLU 42 8.338 -2.193 -8.862 318 CH2 TRP 43 CH2 TRP 43 2.066 2.522 -2.097 319 H TRP 43 HN TRP 43 3.254 -0.667 -8.870 320 HA TRP 43 HA TRP 43 2.683 -1.277 -5.989 321 1HB TRP 43 HB2 TRP 43 1.613 0.821 -7.850 322 2HB TRP 43 HB1 TRP 43 0.659 0.289 -6.477 323 HD1 TRP 43 HD1 TRP 43 4.222 1.573 -7.246 324 HE1 TRP 43 HE1 TRP 43 4.956 2.899 -5.207 325 HE3 TRP 43 HE3 TRP 43 0.310 0.704 -4.303 326 HZ2 TRP 43 HZ2 TRP 43 3.962 3.427 -2.466 327 HZ3 TRP 43 HZ3 TRP 43 0.188 1.517 -2.002 328 HH2 TRP 43 HH2 TRP 43 2.012 2.874 -1.077 329 H THR 44 HN THR 44 1.159 -2.756 -5.560 330 HA THR 44 HA THR 44 -0.476 -3.787 -7.855 331 HB THR 44 HB THR 44 -0.330 -6.031 -6.499 332 HG1 THR 44 HG1 THR 44 0.590 -4.897 -4.693 333 1HG2 THR 44 HG21 THR 44 2.135 -4.806 -7.807 334 2HG2 THR 44 HG23 THR 44 1.958 -6.517 -7.427 335 3HG2 THR 44 HG22 THR 44 0.909 -5.769 -8.629 336 OH TYR 45 OH TYR 45 -8.960 -1.437 -3.003 337 H TYR 45 HN TYR 45 -2.437 -4.955 -7.155 338 HA TYR 45 HA TYR 45 -3.586 -3.949 -4.589 339 1HB TYR 45 HB2 TYR 45 -4.173 -2.535 -6.687 340 2HB TYR 45 HB1 TYR 45 -5.157 -3.915 -7.178 341 HD1 TYR 45 HD1 TYR 45 -6.592 -4.817 -4.817 342 HD2 TYR 45 HD2 TYR 45 -5.487 -0.841 -5.825 343 HE1 TYR 45 HE1 TYR 45 -8.360 -3.963 -3.373 344 HE2 TYR 45 HE2 TYR 45 -7.299 0.012 -4.427 345 HH TYR 45 HH TYR 45 -8.612 -1.323 -2.115 346 H ASP 46 HN ASP 46 -4.493 -5.591 -3.502 347 HA ASP 46 HA ASP 46 -5.139 -8.102 -4.986 348 1HB ASP 46 HB2 ASP 46 -3.527 -8.010 -2.944 349 2HB ASP 46 HB1 ASP 46 -4.997 -7.856 -1.987 350 H ASP 47 HN ASP 47 -7.133 -6.877 -5.689 351 HA ASP 47 HA ASP 47 -9.170 -6.159 -3.801 352 1HB ASP 47 HB2 ASP 47 -9.113 -5.408 -6.185 353 2HB ASP 47 HB1 ASP 47 -9.546 -7.045 -6.674 354 H ALA 48 HN ALA 48 -7.934 -9.153 -4.529 355 HA ALA 48 HA ALA 48 -10.449 -10.651 -4.331 356 1HB ALA 48 HB2 ALA 48 -7.542 -11.395 -4.531 357 2HB ALA 48 HB1 ALA 48 -8.739 -12.608 -4.087 358 3HB ALA 48 HB3 ALA 48 -8.859 -11.779 -5.635 359 H THR 49 HN THR 49 -8.145 -9.311 -2.192 360 HA THR 49 HA THR 49 -9.540 -10.608 0.095 361 HB THR 49 HB THR 49 -7.073 -10.707 1.133 362 HG1 THR 49 HG1 THR 49 -5.599 -10.534 -0.397 363 1HG2 THR 49 HG22 THR 49 -8.307 -12.620 -0.870 364 2HG2 THR 49 HG21 THR 49 -6.753 -12.969 -0.118 365 3HG2 THR 49 HG23 THR 49 -8.197 -12.811 0.878 366 H LYS 50 HN LYS 50 -8.995 -7.840 -1.321 367 HA LYS 50 HA LYS 50 -8.802 -5.607 -0.613 368 1HB LYS 50 HB2 LYS 50 -9.756 -6.838 1.987 369 2HB LYS 50 HB1 LYS 50 -9.779 -5.119 1.604 370 1HG LYS 50 HG2 LYS 50 -11.295 -5.524 -0.278 371 2HG LYS 50 HG1 LYS 50 -11.211 -7.260 -0.006 372 1HD LYS 50 HD2 LYS 50 -11.902 -6.021 2.478 373 2HD LYS 50 HD1 LYS 50 -12.959 -5.360 1.236 374 1HE LYS 50 HE2 LYS 50 -13.537 -7.649 0.504 375 2HE LYS 50 HE1 LYS 50 -12.469 -8.317 1.732 376 1HZ LYS 50 HZ1 LYS 50 -14.752 -6.537 2.357 377 2HZ LYS 50 HZ3 LYS 50 -14.865 -8.230 2.343 378 3HZ LYS 50 HZ2 LYS 50 -13.827 -7.458 3.443 379 H THR 51 HN THR 51 -6.421 -6.443 -0.832 380 HA THR 51 HA THR 51 -4.999 -5.477 1.599 381 HB THR 51 HB THR 51 -4.667 -8.205 0.304 382 HG1 THR 51 HG1 THR 51 -4.888 -8.730 2.460 383 1HG2 THR 51 HG21 THR 51 -2.670 -6.800 2.122 384 2HG2 THR 51 HG23 THR 51 -2.593 -8.479 1.616 385 3HG2 THR 51 HG22 THR 51 -2.358 -7.195 0.439 386 H PHE 52 HN PHE 52 -3.729 -3.822 0.872 387 HA PHE 52 HA PHE 52 -3.047 -3.639 -1.959 388 1HB PHE 52 HB2 PHE 52 -3.058 -1.874 0.329 389 2HB PHE 52 HB1 PHE 52 -1.553 -1.739 -0.570 390 HD1 PHE 52 HD1 PHE 52 -1.600 -1.110 -3.003 391 HD2 PHE 52 HD2 PHE 52 -5.139 -1.230 -0.681 392 HE1 PHE 52 HE1 PHE 52 -2.806 0.143 -4.749 393 HE2 PHE 52 HE2 PHE 52 -6.299 0.131 -2.331 394 HZ PHE 52 HZ PHE 52 -5.122 0.867 -4.348 395 H THR 53 HN THR 53 -0.760 -3.351 -2.654 396 HA THR 53 HA THR 53 1.319 -4.346 -0.852 397 HB THR 53 HB THR 53 0.495 -6.002 -3.266 398 HG1 THR 53 HG1 THR 53 -0.830 -6.441 -1.577 399 1HG2 THR 53 HG23 THR 53 2.983 -5.810 -1.771 400 2HG2 THR 53 HG22 THR 53 2.219 -7.369 -1.476 401 3HG2 THR 53 HG21 THR 53 2.604 -6.876 -3.122 402 H VAL 54 HN VAL 54 3.295 -3.630 -1.453 403 HA VAL 54 HA VAL 54 3.657 -2.650 -4.245 404 HB VAL 54 HB VAL 54 2.977 -0.739 -2.742 405 1HG1 VAL 54 HG11 VAL 54 4.154 -1.748 -0.739 406 2HG1 VAL 54 HG13 VAL 54 5.670 -1.198 -1.442 407 3HG1 VAL 54 HG12 VAL 54 4.434 -0.032 -0.979 408 1HG2 VAL 54 HG22 VAL 54 5.754 -0.772 -3.948 409 2HG2 VAL 54 HG21 VAL 54 4.277 -0.157 -4.665 410 3HG2 VAL 54 HG23 VAL 54 5.016 0.688 -3.316 411 H THR 55 HN THR 55 5.838 -2.641 -4.907 412 HA THR 55 HA THR 55 7.828 -3.778 -3.004 413 HB THR 55 HB THR 55 7.218 -5.016 -5.724 414 HG1 THR 55 HG1 THR 55 6.082 -5.206 -3.371 415 1HG2 THR 55 HG22 THR 55 9.436 -5.278 -3.765 416 2HG2 THR 55 HG21 THR 55 8.676 -6.801 -4.222 417 3HG2 THR 55 HG23 THR 55 9.385 -5.765 -5.454 418 H GLU 56 HN GLU 56 9.621 -2.572 -3.134 419 HA GLU 56 HA GLU 56 10.032 -0.614 -5.200 420 1HB GLU 56 HB2 GLU 56 11.118 -1.114 -2.694 421 2HB GLU 56 HB1 GLU 56 12.461 -1.429 -3.784 422 1HG GLU 56 HG2 GLU 56 10.763 1.096 -3.795 423 2HG GLU 56 HG1 GLU 56 12.379 0.964 -3.110 Start of MODEL 43 Raw file had 423 H/Q atoms Entry Start of MODEL 43 1 1H MET 1 HT1 MET 1 -13.525 2.333 3.346 2 2H MET 1 HT3 MET 1 -13.408 1.311 1.994 3 3H MET 1 HT2 MET 1 -14.829 1.329 2.924 4 HA MET 1 HA MET 1 -13.751 0.336 4.770 5 1HB MET 1 HB2 MET 1 -13.248 -0.962 2.101 6 2HB MET 1 HB1 MET 1 -12.736 -1.751 3.589 7 1HG MET 1 HG2 MET 1 -15.012 -2.433 2.845 8 2HG MET 1 HG1 MET 1 -14.968 -1.757 4.452 9 1HE MET 1 HE1 MET 1 -17.115 -1.048 5.079 10 2HE MET 1 HE3 MET 1 -16.051 0.350 5.239 11 3HE MET 1 HE2 MET 1 -17.682 0.553 4.600 12 H THR 2 HN THR 2 -11.590 -1.162 5.026 13 HA THR 2 HA THR 2 -9.278 0.689 4.551 14 HB THR 2 HB THR 2 -9.614 -1.120 6.975 15 HG1 THR 2 HG1 THR 2 -10.034 1.675 6.657 16 1HG2 THR 2 HG21 THR 2 -7.348 0.120 6.071 17 2HG2 THR 2 HG23 THR 2 -8.083 1.431 6.988 18 3HG2 THR 2 HG22 THR 2 -7.703 -0.095 7.782 19 OH TYR 3 OH TYR 3 -11.554 0.168 -0.969 20 H TYR 3 HN TYR 3 -7.756 -0.192 3.306 21 HA TYR 3 HA TYR 3 -7.700 -3.153 3.004 22 1HB TYR 3 HB2 TYR 3 -6.062 -1.189 1.405 23 2HB TYR 3 HB1 TYR 3 -6.555 -2.817 0.957 24 HD1 TYR 3 HD1 TYR 3 -7.911 0.586 1.685 25 HD2 TYR 3 HD2 TYR 3 -8.597 -3.167 -0.190 26 HE1 TYR 3 HE1 TYR 3 -9.940 1.479 0.635 27 HE2 TYR 3 HE2 TYR 3 -10.619 -2.270 -1.248 28 HH TYR 3 HH TYR 3 -12.053 0.643 -0.300 29 H LYS 4 HN LYS 4 -5.472 -4.139 2.808 30 HA LYS 4 HA LYS 4 -3.698 -2.980 4.932 31 1HB LYS 4 HB2 LYS 4 -4.918 -5.365 5.043 32 2HB LYS 4 HB1 LYS 4 -3.505 -5.840 4.120 33 1HG LYS 4 HG2 LYS 4 -2.234 -4.429 5.999 34 2HG LYS 4 HG1 LYS 4 -3.667 -4.848 6.930 35 1HD LYS 4 HD2 LYS 4 -3.308 -7.252 6.289 36 2HD LYS 4 HD1 LYS 4 -1.793 -6.776 5.528 37 1HE LYS 4 HE2 LYS 4 -1.695 -5.591 8.063 38 2HE LYS 4 HE1 LYS 4 -2.387 -7.181 8.356 39 1HZ LYS 4 HZ2 LYS 4 -0.352 -7.634 6.594 40 2HZ LYS 4 HZ1 LYS 4 0.280 -6.470 7.657 41 3HZ LYS 4 HZ3 LYS 4 -0.325 -7.936 8.264 42 H LEU 5 HN LEU 5 -1.862 -2.147 4.133 43 HA LEU 5 HA LEU 5 -0.958 -2.882 1.446 44 1HB LEU 5 HB2 LEU 5 -0.789 -0.549 2.023 45 2HB LEU 5 HB1 LEU 5 0.039 -0.909 3.528 46 HG LEU 5 HG LEU 5 1.995 -1.796 2.135 47 1HD1 LEU 5 HD12 LEU 5 0.402 -0.504 -0.102 48 2HD1 LEU 5 HD11 LEU 5 2.056 -1.081 -0.238 49 3HD1 LEU 5 HD13 LEU 5 0.751 -2.224 0.038 50 1HD2 LEU 5 HD23 LEU 5 1.842 0.530 3.102 51 2HD2 LEU 5 HD22 LEU 5 2.866 0.397 1.677 52 3HD2 LEU 5 HD21 LEU 5 1.246 1.069 1.538 53 H ILE 6 HN ILE 6 1.084 -3.753 0.962 54 HA ILE 6 HA ILE 6 2.516 -5.081 3.182 55 HB ILE 6 HB ILE 6 1.895 -6.286 0.478 56 1HG1 ILE 6 HG12 ILE 6 0.937 -7.120 3.235 57 2HG1 ILE 6 HG11 ILE 6 -0.022 -6.142 2.129 58 1HG2 ILE 6 HG22 ILE 6 3.920 -6.851 2.459 59 2HG2 ILE 6 HG21 ILE 6 2.809 -8.211 2.344 60 3HG2 ILE 6 HG23 ILE 6 3.650 -7.639 0.908 61 1HD1 ILE 6 HD3 ILE 6 1.077 -8.492 0.793 62 2HD1 ILE 6 HD2 ILE 6 0.093 -8.940 2.184 63 3HD1 ILE 6 HD1 ILE 6 -0.596 -7.954 0.899 64 H LEU 7 HN LEU 7 4.314 -3.830 3.237 65 HA LEU 7 HA LEU 7 5.527 -2.796 0.796 66 1HB LEU 7 HB2 LEU 7 6.347 -2.718 3.695 67 2HB LEU 7 HB1 LEU 7 7.309 -1.995 2.412 68 HG LEU 7 HG LEU 7 4.464 -1.277 2.256 69 1HD1 LEU 7 HD12 LEU 7 6.105 -0.414 4.663 70 2HD1 LEU 7 HD11 LEU 7 4.545 0.263 4.203 71 3HD1 LEU 7 HD13 LEU 7 4.660 -1.419 4.712 72 1HD2 LEU 7 HD22 LEU 7 7.034 0.332 2.456 73 2HD2 LEU 7 HD21 LEU 7 6.272 -0.193 0.957 74 3HD2 LEU 7 HD23 LEU 7 5.460 0.974 1.996 75 H ASN 8 HN ASN 8 6.792 -3.941 -0.495 76 HA ASN 8 HA ASN 8 8.333 -6.214 0.671 77 1HB ASN 8 HB2 ASN 8 6.804 -5.833 -1.759 78 2HB ASN 8 HB1 ASN 8 8.442 -6.312 -2.148 79 1HD2 ASN 8 HD22 ASN 8 5.970 -9.128 -1.087 80 2HD2 ASN 8 HD21 ASN 8 5.577 -7.666 -1.841 81 H GLY 9 HN GLY 9 9.240 -3.581 1.051 82 1HA GLY 9 HA2 GLY 9 11.037 -2.539 -0.830 83 2HA GLY 9 HA1 GLY 9 11.271 -2.399 0.906 84 H LYS 10 HN LYS 10 13.123 -2.942 -1.411 85 HA LYS 10 HA LYS 10 14.080 -5.614 -1.338 86 1HB LYS 10 HB2 LYS 10 15.218 -2.967 -2.092 87 2HB LYS 10 HB1 LYS 10 16.358 -4.280 -1.822 88 1HG LYS 10 HG2 LYS 10 15.229 -5.675 -3.461 89 2HG LYS 10 HG1 LYS 10 13.932 -4.497 -3.634 90 1HD LYS 10 HD2 LYS 10 15.453 -2.870 -4.595 91 2HD LYS 10 HD1 LYS 10 16.843 -3.893 -4.247 92 1HE LYS 10 HE2 LYS 10 16.411 -5.312 -6.006 93 2HE LYS 10 HE1 LYS 10 14.668 -5.129 -5.859 94 1HZ LYS 10 HZ3 LYS 10 16.454 -3.003 -6.889 95 2HZ LYS 10 HZ2 LYS 10 15.653 -4.123 -7.883 96 3HZ LYS 10 HZ1 LYS 10 14.757 -3.037 -6.934 97 H THR 11 HN THR 11 14.701 -2.857 0.733 98 HA THR 11 HA THR 11 16.187 -4.658 2.597 99 HB THR 11 HB THR 11 17.237 -2.274 3.250 100 HG1 THR 11 HG1 THR 11 15.673 -1.651 1.373 101 1HG2 THR 11 HG23 THR 11 18.509 -4.258 2.280 102 2HG2 THR 11 HG22 THR 11 18.045 -3.683 0.682 103 3HG2 THR 11 HG21 THR 11 19.083 -2.695 1.705 104 H LEU 12 HN LEU 12 13.339 -3.200 2.181 105 HA LEU 12 HA LEU 12 12.975 -2.879 5.113 106 1HB LEU 12 HB2 LEU 12 13.515 -0.624 3.995 107 2HB LEU 12 HB1 LEU 12 11.929 -0.760 3.244 108 HG LEU 12 HG LEU 12 11.141 -1.278 5.720 109 1HD1 LEU 12 HD11 LEU 12 13.774 -1.027 6.280 110 2HD1 LEU 12 HD13 LEU 12 13.293 0.657 6.449 111 3HD1 LEU 12 HD12 LEU 12 12.522 -0.582 7.434 112 1HD2 LEU 12 HD21 LEU 12 11.897 1.478 4.690 113 2HD2 LEU 12 HD23 LEU 12 10.371 0.643 4.418 114 3HD2 LEU 12 HD22 LEU 12 10.800 1.189 6.035 115 H LYS 13 HN LYS 13 11.619 -4.623 5.211 116 HA LYS 13 HA LYS 13 9.211 -4.610 3.459 117 1HB LYS 13 HB2 LYS 13 10.237 -6.780 5.304 118 2HB LYS 13 HB1 LYS 13 8.900 -6.931 4.174 119 1HG LYS 13 HG2 LYS 13 10.546 -7.740 2.788 120 2HG LYS 13 HG1 LYS 13 10.807 -6.029 2.476 121 1HD LYS 13 HD2 LYS 13 12.971 -6.697 3.030 122 2HD LYS 13 HD1 LYS 13 12.379 -6.204 4.611 123 1HE LYS 13 HE2 LYS 13 13.377 -8.364 4.918 124 2HE LYS 13 HE1 LYS 13 11.638 -8.625 4.949 125 1HZ LYS 13 HZ1 LYS 13 11.730 -9.258 2.618 126 2HZ LYS 13 HZ3 LYS 13 13.413 -9.032 2.609 127 3HZ LYS 13 HZ2 LYS 13 12.726 -10.254 3.568 128 H GLY 14 HN GLY 14 7.227 -4.180 4.269 129 1HA GLY 14 HA2 GLY 14 6.692 -4.438 7.145 130 2HA GLY 14 HA1 GLY 14 6.694 -2.781 6.553 131 H GLU 15 HN GLU 15 4.429 -2.851 7.293 132 HA GLU 15 HA GLU 15 2.606 -3.183 5.108 133 1HB GLU 15 HB2 GLU 15 1.235 -5.033 6.017 134 2HB GLU 15 HB1 GLU 15 2.860 -5.583 5.632 135 1HG GLU 15 HG2 GLU 15 3.373 -4.956 8.138 136 2HG GLU 15 HG1 GLU 15 1.627 -5.070 8.331 137 H THR 16 HN THR 16 0.841 -1.934 5.488 138 HA THR 16 HA THR 16 -0.020 -1.415 8.270 139 HB THR 16 HB THR 16 1.644 0.358 8.018 140 HG1 THR 16 HG1 THR 16 -0.990 1.250 7.394 141 1HG2 THR 16 HG21 THR 16 1.077 0.224 5.295 142 2HG2 THR 16 HG23 THR 16 0.268 1.707 5.788 143 3HG2 THR 16 HG22 THR 16 1.995 1.513 6.064 144 H THR 17 HN THR 17 -2.116 -0.431 8.394 145 HA THR 17 HA THR 17 -3.696 -0.835 5.889 146 HB THR 17 HB THR 17 -5.547 -1.432 7.263 147 HG1 THR 17 HG1 THR 17 -5.819 -0.362 9.100 148 1HG2 THR 17 HG23 THR 17 -3.174 -2.743 7.793 149 2HG2 THR 17 HG22 THR 17 -3.617 -2.158 9.392 150 3HG2 THR 17 HG21 THR 17 -4.721 -3.196 8.497 151 H THR 18 HN THR 18 -5.027 0.749 5.102 152 HA THR 18 HA THR 18 -5.116 3.347 6.579 153 HB THR 18 HB THR 18 -3.401 3.222 4.574 154 HG1 THR 18 HG1 THR 18 -3.854 5.370 4.390 155 1HG2 THR 18 HG23 THR 18 -5.447 2.305 3.094 156 2HG2 THR 18 HG22 THR 18 -5.841 4.019 3.009 157 3HG2 THR 18 HG21 THR 18 -4.290 3.441 2.411 158 H GLU 19 HN GLU 19 -6.977 4.596 6.210 159 HA GLU 19 HA GLU 19 -9.303 3.022 5.316 160 1HB GLU 19 HB2 GLU 19 -9.135 5.821 6.467 161 2HB GLU 19 HB1 GLU 19 -10.620 4.915 6.196 162 1HG GLU 19 HG2 GLU 19 -9.899 3.186 7.772 163 2HG GLU 19 HG1 GLU 19 -8.342 3.985 7.979 164 H ALA 20 HN ALA 20 -10.092 3.138 3.314 165 HA ALA 20 HA ALA 20 -9.794 5.675 1.784 166 1HB ALA 20 HB3 ALA 20 -8.433 3.167 1.236 167 2HB ALA 20 HB2 ALA 20 -9.453 3.648 -0.117 168 3HB ALA 20 HB1 ALA 20 -8.208 4.739 0.481 169 H VAL 21 HN VAL 21 -11.591 6.203 0.663 170 HA VAL 21 HA VAL 21 -13.930 4.444 0.905 171 HB VAL 21 HB VAL 21 -14.219 6.848 1.245 172 1HG1 VAL 21 HG12 VAL 21 -12.362 7.562 -0.258 173 2HG1 VAL 21 HG11 VAL 21 -13.335 7.103 -1.652 174 3HG1 VAL 21 HG13 VAL 21 -13.856 8.423 -0.610 175 1HG2 VAL 21 HG21 VAL 21 -16.014 5.411 0.101 176 2HG2 VAL 21 HG23 VAL 21 -16.148 7.149 -0.142 177 3HG2 VAL 21 HG22 VAL 21 -15.482 6.132 -1.415 178 H ASP 22 HN ASP 22 -11.564 5.235 -1.473 179 HA ASP 22 HA ASP 22 -12.897 3.372 -3.363 180 1HB ASP 22 HB2 ASP 22 -12.479 4.932 -5.255 181 2HB ASP 22 HB1 ASP 22 -13.611 5.604 -4.084 182 H ALA 23 HN ALA 23 -11.478 2.153 -4.540 183 HA ALA 23 HA ALA 23 -8.873 1.700 -3.635 184 1HB ALA 23 HB2 ALA 23 -10.310 1.131 -6.186 185 2HB ALA 23 HB1 ALA 23 -8.564 0.912 -6.168 186 3HB ALA 23 HB3 ALA 23 -9.576 0.013 -5.042 187 H ALA 24 HN ALA 24 -10.007 4.369 -5.386 188 HA ALA 24 HA ALA 24 -7.561 5.018 -6.801 189 1HB ALA 24 HB1 ALA 24 -10.163 5.998 -6.782 190 2HB ALA 24 HB3 ALA 24 -9.217 7.314 -6.095 191 3HB ALA 24 HB2 ALA 24 -8.812 6.675 -7.685 192 H THR 25 HN THR 25 -9.071 6.773 -4.078 193 HA THR 25 HA THR 25 -6.693 8.166 -3.386 194 HB THR 25 HB THR 25 -8.938 8.849 -2.518 195 HG1 THR 25 HG1 THR 25 -6.647 8.319 -1.046 196 1HG2 THR 25 HG21 THR 25 -9.305 6.226 -1.816 197 2HG2 THR 25 HG23 THR 25 -8.700 6.884 -0.300 198 3HG2 THR 25 HG22 THR 25 -10.151 7.554 -1.033 199 H ALA 26 HN ALA 26 -7.503 4.884 -2.984 200 HA ALA 26 HA ALA 26 -5.872 4.400 -0.625 201 1HB ALA 26 HB1 ALA 26 -7.724 2.877 -1.521 202 2HB ALA 26 HB3 ALA 26 -6.575 2.370 -2.754 203 3HB ALA 26 HB2 ALA 26 -6.229 2.075 -1.052 204 H GLU 27 HN GLU 27 -5.398 4.344 -4.101 205 HA GLU 27 HA GLU 27 -2.728 3.266 -4.055 206 1HB GLU 27 HB2 GLU 27 -4.297 4.895 -6.064 207 2HB GLU 27 HB1 GLU 27 -2.638 4.401 -6.365 208 1HG GLU 27 HG2 GLU 27 -3.348 2.015 -5.923 209 2HG GLU 27 HG1 GLU 27 -5.011 2.588 -5.854 210 H LYS 28 HN LYS 28 -4.093 6.483 -3.844 211 HA LYS 28 HA LYS 28 -1.447 7.773 -3.929 212 1HB LYS 28 HB2 LYS 28 -3.388 8.848 -5.002 213 2HB LYS 28 HB1 LYS 28 -4.222 8.903 -3.457 214 1HG LYS 28 HG2 LYS 28 -1.638 10.091 -3.091 215 2HG LYS 28 HG1 LYS 28 -2.356 10.795 -4.531 216 1HD LYS 28 HD2 LYS 28 -3.778 10.551 -1.855 217 2HD LYS 28 HD1 LYS 28 -2.998 12.016 -2.438 218 1HE LYS 28 HE2 LYS 28 -4.688 11.034 -4.529 219 2HE LYS 28 HE1 LYS 28 -5.628 11.057 -3.042 220 1HZ LYS 28 HZ2 LYS 28 -3.980 13.391 -3.534 221 2HZ LYS 28 HZ1 LYS 28 -5.287 13.175 -4.596 222 3HZ LYS 28 HZ3 LYS 28 -5.560 13.280 -2.923 223 H VAL 29 HN VAL 29 -3.858 6.859 -1.556 224 HA VAL 29 HA VAL 29 -2.790 8.420 0.614 225 HB VAL 29 HB VAL 29 -4.536 5.965 0.493 226 1HG1 VAL 29 HG11 VAL 29 -3.277 7.330 2.876 227 2HG1 VAL 29 HG13 VAL 29 -4.830 6.512 3.022 228 3HG1 VAL 29 HG12 VAL 29 -3.399 5.606 2.541 229 1HG2 VAL 29 HG22 VAL 29 -5.115 8.581 0.076 230 2HG2 VAL 29 HG21 VAL 29 -6.264 7.457 0.796 231 3HG2 VAL 29 HG23 VAL 29 -5.303 8.515 1.825 232 H PHE 30 HN PHE 30 -2.443 4.966 -0.193 233 HA PHE 30 HA PHE 30 -0.491 4.435 1.823 234 1HB PHE 30 HB2 PHE 30 -1.336 3.066 -0.708 235 2HB PHE 30 HB1 PHE 30 0.138 2.531 0.089 236 HD1 PHE 30 HD1 PHE 30 -0.207 2.386 2.826 237 HD2 PHE 30 HD2 PHE 30 -3.256 1.875 -0.110 238 HE1 PHE 30 HE1 PHE 30 -1.566 1.132 4.443 239 HE2 PHE 30 HE2 PHE 30 -4.582 0.598 1.507 240 HZ PHE 30 HZ PHE 30 -3.737 0.205 3.777 241 H LYS 31 HN LYS 31 -0.187 5.411 -1.574 242 HA LYS 31 HA LYS 31 2.629 5.208 -1.790 243 1HB LYS 31 HB2 LYS 31 1.076 5.709 -3.679 244 2HB LYS 31 HB1 LYS 31 0.871 7.334 -3.038 245 1HG LYS 31 HG2 LYS 31 2.741 7.977 -4.139 246 2HG LYS 31 HG1 LYS 31 3.675 6.878 -3.136 247 1HD LYS 31 HD2 LYS 31 4.149 6.180 -5.351 248 2HD LYS 31 HD1 LYS 31 2.948 5.024 -4.800 249 1HE LYS 31 HE2 LYS 31 1.174 6.497 -5.861 250 2HE LYS 31 HE1 LYS 31 2.472 7.470 -6.538 251 1HZ LYS 31 HZ2 LYS 31 3.267 5.095 -7.328 252 2HZ LYS 31 HZ1 LYS 31 1.600 4.785 -7.247 253 3HZ LYS 31 HZ3 LYS 31 2.182 6.038 -8.234 254 H GLN 32 HN GLN 32 0.619 7.614 -0.259 255 HA GLN 32 HA GLN 32 2.724 9.562 0.130 256 1HB GLN 32 HB2 GLN 32 0.280 10.092 0.264 257 2HB GLN 32 HB1 GLN 32 0.196 9.160 1.755 258 1HG GLN 32 HG2 GLN 32 1.784 10.656 2.842 259 2HG GLN 32 HG1 GLN 32 2.054 11.526 1.334 260 1HE2 GLN 32 HE22 GLN 32 -0.540 13.287 3.469 261 2HE2 GLN 32 HE21 GLN 32 1.020 12.711 3.812 262 OH TYR 33 OH TYR 33 4.726 2.536 8.107 263 H TYR 33 HN TYR 33 1.620 6.725 1.807 264 HA TYR 33 HA TYR 33 3.137 7.247 4.239 265 1HB TYR 33 HB2 TYR 33 1.157 5.838 4.364 266 2HB TYR 33 HB1 TYR 33 1.830 4.734 3.169 267 HD1 TYR 33 HD1 TYR 33 3.908 3.423 3.745 268 HD2 TYR 33 HD2 TYR 33 1.810 5.689 6.670 269 HE1 TYR 33 HE1 TYR 33 5.053 2.186 5.522 270 HE2 TYR 33 HE2 TYR 33 2.955 4.450 8.449 271 HH TYR 33 HH TYR 33 5.108 1.745 7.718 272 H ALA 34 HN ALA 34 3.458 4.881 1.607 273 HA ALA 34 HA ALA 34 5.903 3.731 2.291 274 1HB ALA 34 HB2 ALA 34 4.270 3.623 0.093 275 2HB ALA 34 HB1 ALA 34 5.696 4.417 -0.570 276 3HB ALA 34 HB3 ALA 34 5.843 2.839 0.199 277 H ASN 35 HN ASN 35 5.287 6.896 0.943 278 HA ASN 35 HA ASN 35 7.916 7.574 0.117 279 1HB ASN 35 HB2 ASN 35 5.942 8.975 -0.371 280 2HB ASN 35 HB1 ASN 35 5.806 9.378 1.338 281 1HD2 ASN 35 HD22 ASN 35 7.734 12.217 0.316 282 2HD2 ASN 35 HD21 ASN 35 6.151 11.676 0.605 283 H ASP 36 HN ASP 36 6.325 8.103 3.252 284 HA ASP 36 HA ASP 36 8.572 9.251 4.569 285 1HB ASP 36 HB2 ASP 36 6.140 7.760 5.526 286 2HB ASP 36 HB1 ASP 36 7.392 8.248 6.666 287 H ASN 37 HN ASN 37 8.171 6.175 3.329 288 HA ASN 37 HA ASN 37 10.148 4.984 5.233 289 1HB ASN 37 HB2 ASN 37 8.183 3.703 3.322 290 2HB ASN 37 HB1 ASN 37 9.409 2.799 4.205 291 1HD2 ASN 37 HD22 ASN 37 6.133 4.251 6.177 292 2HD2 ASN 37 HD21 ASN 37 6.461 4.743 4.586 293 H GLY 38 HN GLY 38 9.564 5.886 1.934 294 1HA GLY 38 HA2 GLY 38 11.348 6.339 0.373 295 2HA GLY 38 HA1 GLY 38 12.406 5.298 1.321 296 H VAL 39 HN VAL 39 9.354 3.941 0.866 297 HA VAL 39 HA VAL 39 10.483 2.064 -1.145 298 HB VAL 39 HB VAL 39 7.941 1.825 0.485 299 1HG1 VAL 39 HG12 VAL 39 9.525 -0.076 -1.267 300 2HG1 VAL 39 HG11 VAL 39 8.314 -0.628 -0.114 301 3HG1 VAL 39 HG13 VAL 39 7.843 0.407 -1.458 302 1HG2 VAL 39 HG23 VAL 39 10.744 0.748 0.946 303 2HG2 VAL 39 HG22 VAL 39 9.878 1.887 1.971 304 3HG2 VAL 39 HG21 VAL 39 9.323 0.220 1.842 305 H ASP 40 HN ASP 40 10.091 2.644 -3.189 306 HA ASP 40 HA ASP 40 7.302 3.118 -4.017 307 1HB ASP 40 HB2 ASP 40 9.469 5.197 -4.164 308 2HB ASP 40 HB1 ASP 40 8.191 5.169 -5.377 309 H GLY 41 HN GLY 41 6.929 2.512 -6.129 310 1HA GLY 41 HA2 GLY 41 8.641 2.376 -8.294 311 2HA GLY 41 HA1 GLY 41 9.009 0.905 -7.396 312 H GLU 42 HN GLU 42 7.646 -0.811 -7.557 313 HA GLU 42 HA GLU 42 5.415 -0.546 -9.492 314 1HB GLU 42 HB2 GLU 42 6.216 -3.119 -8.194 315 2HB GLU 42 HB1 GLU 42 5.583 -2.850 -9.812 316 1HG GLU 42 HG2 GLU 42 7.742 -1.605 -10.333 317 2HG GLU 42 HG1 GLU 42 8.362 -2.185 -8.790 318 CH2 TRP 43 CH2 TRP 43 2.102 2.623 -2.222 319 H TRP 43 HN TRP 43 3.315 -0.675 -8.919 320 HA TRP 43 HA TRP 43 2.709 -1.273 -6.045 321 1HB TRP 43 HB2 TRP 43 1.634 0.798 -7.931 322 2HB TRP 43 HB1 TRP 43 0.692 0.279 -6.543 323 HD1 TRP 43 HD1 TRP 43 4.246 1.560 -7.355 324 HE1 TRP 43 HE1 TRP 43 4.990 2.920 -5.342 325 HE3 TRP 43 HE3 TRP 43 0.344 0.743 -4.378 326 HZ2 TRP 43 HZ2 TRP 43 4.001 3.513 -2.616 327 HZ3 TRP 43 HZ3 TRP 43 0.222 1.620 -2.101 328 HH2 TRP 43 HH2 TRP 43 2.045 3.010 -1.215 329 H THR 44 HN THR 44 1.150 -2.700 -5.603 330 HA THR 44 HA THR 44 -0.453 -3.785 -7.891 331 HB THR 44 HB THR 44 -0.316 -6.003 -6.490 332 HG1 THR 44 HG1 THR 44 1.761 -4.322 -5.506 333 1HG2 THR 44 HG23 THR 44 1.655 -4.753 -8.294 334 2HG2 THR 44 HG22 THR 44 2.371 -5.939 -7.208 335 3HG2 THR 44 HG21 THR 44 1.061 -6.412 -8.284 336 OH TYR 45 OH TYR 45 -8.918 -1.404 -3.009 337 H TYR 45 HN TYR 45 -2.398 -5.008 -7.109 338 HA TYR 45 HA TYR 45 -3.546 -3.939 -4.579 339 1HB TYR 45 HB2 TYR 45 -4.120 -2.518 -6.669 340 2HB TYR 45 HB1 TYR 45 -5.108 -3.890 -7.173 341 HD1 TYR 45 HD1 TYR 45 -6.578 -4.795 -4.840 342 HD2 TYR 45 HD2 TYR 45 -5.418 -0.822 -5.799 343 HE1 TYR 45 HE1 TYR 45 -8.346 -3.932 -3.403 344 HE2 TYR 45 HE2 TYR 45 -7.228 0.042 -4.401 345 HH TYR 45 HH TYR 45 -8.548 -1.201 -2.147 346 H ASP 46 HN ASP 46 -4.498 -5.557 -3.488 347 HA ASP 46 HA ASP 46 -5.134 -8.075 -4.967 348 1HB ASP 46 HB2 ASP 46 -3.509 -7.977 -2.937 349 2HB ASP 46 HB1 ASP 46 -4.975 -7.844 -1.971 350 H ASP 47 HN ASP 47 -7.164 -7.038 -5.687 351 HA ASP 47 HA ASP 47 -9.198 -6.272 -3.796 352 1HB ASP 47 HB2 ASP 47 -9.306 -5.531 -6.120 353 2HB ASP 47 HB1 ASP 47 -9.433 -7.200 -6.672 354 H ALA 48 HN ALA 48 -7.801 -9.159 -4.082 355 HA ALA 48 HA ALA 48 -10.242 -10.819 -3.989 356 1HB ALA 48 HB2 ALA 48 -7.870 -11.390 -5.033 357 2HB ALA 48 HB1 ALA 48 -7.524 -11.910 -3.387 358 3HB ALA 48 HB3 ALA 48 -8.849 -12.646 -4.282 359 H THR 49 HN THR 49 -8.066 -9.261 -1.833 360 HA THR 49 HA THR 49 -9.588 -10.356 0.460 361 HB THR 49 HB THR 49 -7.490 -10.945 1.693 362 HG1 THR 49 HG1 THR 49 -5.674 -10.987 -0.007 363 1HG2 THR 49 HG21 THR 49 -8.596 -12.644 0.057 364 2HG2 THR 49 HG23 THR 49 -7.319 -12.190 -1.066 365 3HG2 THR 49 HG22 THR 49 -6.911 -12.932 0.477 366 H LYS 50 HN LYS 50 -9.028 -7.740 -1.016 367 HA LYS 50 HA LYS 50 -8.672 -5.484 -0.448 368 1HB LYS 50 HB2 LYS 50 -9.468 -6.507 2.294 369 2HB LYS 50 HB1 LYS 50 -9.515 -4.830 1.764 370 1HG LYS 50 HG2 LYS 50 -10.986 -6.877 0.131 371 2HG LYS 50 HG1 LYS 50 -11.697 -6.354 1.650 372 1HD LYS 50 HD2 LYS 50 -11.540 -3.998 0.921 373 2HD LYS 50 HD1 LYS 50 -10.804 -4.512 -0.593 374 1HE LYS 50 HE2 LYS 50 -13.301 -5.936 -0.011 375 2HE LYS 50 HE1 LYS 50 -13.530 -4.197 -0.149 376 1HZ LYS 50 HZ1 LYS 50 -11.833 -4.918 -2.202 377 2HZ LYS 50 HZ3 LYS 50 -13.056 -6.095 -2.185 378 3HZ LYS 50 HZ2 LYS 50 -13.461 -4.451 -2.325 379 H THR 51 HN THR 51 -6.330 -6.668 -0.685 380 HA THR 51 HA THR 51 -4.735 -5.678 1.652 381 HB THR 51 HB THR 51 -3.757 -8.009 0.015 382 HG1 THR 51 HG1 THR 51 -5.198 -8.730 2.172 383 1HG2 THR 51 HG22 THR 51 -2.670 -6.818 2.167 384 2HG2 THR 51 HG21 THR 51 -3.819 -7.853 3.005 385 3HG2 THR 51 HG23 THR 51 -2.592 -8.562 1.964 386 H PHE 52 HN PHE 52 -3.620 -3.907 0.889 387 HA PHE 52 HA PHE 52 -2.985 -3.666 -1.948 388 1HB PHE 52 HB2 PHE 52 -3.008 -1.935 0.357 389 2HB PHE 52 HB1 PHE 52 -1.495 -1.772 -0.524 390 HD1 PHE 52 HD1 PHE 52 -1.517 -1.124 -2.947 391 HD2 PHE 52 HD2 PHE 52 -5.077 -1.282 -0.657 392 HE1 PHE 52 HE1 PHE 52 -2.714 0.134 -4.692 393 HE2 PHE 52 HE2 PHE 52 -6.224 0.099 -2.302 394 HZ PHE 52 HZ PHE 52 -5.032 0.852 -4.303 395 H THR 53 HN THR 53 -0.732 -3.377 -2.701 396 HA THR 53 HA THR 53 1.393 -4.379 -0.944 397 HB THR 53 HB THR 53 0.473 -5.996 -3.351 398 HG1 THR 53 HG1 THR 53 0.245 -7.508 -1.604 399 1HG2 THR 53 HG23 THR 53 3.076 -5.776 -2.037 400 2HG2 THR 53 HG22 THR 53 2.383 -7.378 -1.804 401 3HG2 THR 53 HG21 THR 53 2.633 -6.755 -3.432 402 H VAL 54 HN VAL 54 3.366 -3.677 -1.575 403 HA VAL 54 HA VAL 54 3.674 -2.606 -4.336 404 HB VAL 54 HB VAL 54 3.014 -0.736 -2.771 405 1HG1 VAL 54 HG11 VAL 54 4.217 -1.791 -0.808 406 2HG1 VAL 54 HG13 VAL 54 5.727 -1.233 -1.521 407 3HG1 VAL 54 HG12 VAL 54 4.506 -0.071 -1.015 408 1HG2 VAL 54 HG23 VAL 54 5.786 -0.717 -3.995 409 2HG2 VAL 54 HG22 VAL 54 4.297 -0.125 -4.712 410 3HG2 VAL 54 HG21 VAL 54 5.014 0.722 -3.350 411 H THR 55 HN THR 55 5.876 -2.553 -5.016 412 HA THR 55 HA THR 55 7.860 -3.764 -3.159 413 HB THR 55 HB THR 55 7.257 -4.918 -5.915 414 HG1 THR 55 HG1 THR 55 6.062 -6.267 -4.772 415 1HG2 THR 55 HG21 THR 55 9.458 -5.244 -3.954 416 2HG2 THR 55 HG23 THR 55 8.676 -6.752 -4.421 417 3HG2 THR 55 HG22 THR 55 9.401 -5.720 -5.646 418 H GLU 56 HN GLU 56 9.649 -2.577 -3.245 419 HA GLU 56 HA GLU 56 10.098 -0.541 -5.212 420 1HB GLU 56 HB2 GLU 56 11.189 -1.228 -2.749 421 2HB GLU 56 HB1 GLU 56 12.522 -1.462 -3.872 422 1HG GLU 56 HG2 GLU 56 11.963 0.835 -4.827 423 2HG GLU 56 HG1 GLU 56 10.871 1.046 -3.462 Start of MODEL 44 Raw file had 423 H/Q atoms Entry Start of MODEL 44 1 1H MET 1 HT2 MET 1 -13.292 -1.144 5.904 2 2H MET 1 HT1 MET 1 -14.907 -0.823 5.488 3 3H MET 1 HT3 MET 1 -14.018 -1.977 4.615 4 HA MET 1 HA MET 1 -13.636 -0.352 3.163 5 1HB MET 1 HB2 MET 1 -15.325 1.022 4.690 6 2HB MET 1 HB1 MET 1 -13.857 1.886 5.133 7 1HG MET 1 HG2 MET 1 -13.381 2.090 2.648 8 2HG MET 1 HG1 MET 1 -14.992 1.486 2.363 9 1HE MET 1 HE2 MET 1 -16.923 2.623 4.058 10 2HE MET 1 HE1 MET 1 -15.837 3.230 5.307 11 3HE MET 1 HE3 MET 1 -16.912 4.341 4.458 12 H THR 2 HN THR 2 -11.640 -1.648 4.544 13 HA THR 2 HA THR 2 -9.496 0.400 4.428 14 HB THR 2 HB THR 2 -9.802 -1.502 6.790 15 HG1 THR 2 HG1 THR 2 -9.966 1.327 6.611 16 1HG2 THR 2 HG21 THR 2 -7.487 -0.300 5.812 17 2HG2 THR 2 HG23 THR 2 -8.090 0.886 6.963 18 3HG2 THR 2 HG22 THR 2 -7.750 -0.756 7.492 19 OH TYR 3 OH TYR 3 -11.564 0.440 -0.991 20 H TYR 3 HN TYR 3 -7.861 -0.347 3.219 21 HA TYR 3 HA TYR 3 -7.730 -3.282 2.699 22 1HB TYR 3 HB2 TYR 3 -6.097 -1.206 1.252 23 2HB TYR 3 HB1 TYR 3 -6.621 -2.785 0.683 24 HD1 TYR 3 HD1 TYR 3 -7.883 0.589 1.641 25 HD2 TYR 3 HD2 TYR 3 -8.700 -3.022 -0.450 26 HE1 TYR 3 HE1 TYR 3 -9.895 1.602 0.671 27 HE2 TYR 3 HE2 TYR 3 -10.709 -2.008 -1.422 28 HH TYR 3 HH TYR 3 -12.302 0.256 -0.406 29 H LYS 4 HN LYS 4 -5.573 -4.289 2.625 30 HA LYS 4 HA LYS 4 -3.814 -3.152 4.763 31 1HB LYS 4 HB2 LYS 4 -5.011 -5.418 5.055 32 2HB LYS 4 HB1 LYS 4 -3.872 -6.031 3.878 33 1HG LYS 4 HG2 LYS 4 -2.314 -4.561 5.742 34 2HG LYS 4 HG1 LYS 4 -3.446 -5.497 6.703 35 1HD LYS 4 HD2 LYS 4 -1.747 -6.689 4.479 36 2HD LYS 4 HD1 LYS 4 -1.272 -6.689 6.170 37 1HE LYS 4 HE2 LYS 4 -2.832 -8.634 4.918 38 2HE LYS 4 HE1 LYS 4 -2.641 -8.424 6.652 39 1HZ LYS 4 HZ1 LYS 4 -4.543 -6.915 6.623 40 2HZ LYS 4 HZ3 LYS 4 -4.744 -7.201 4.962 41 3HZ LYS 4 HZ2 LYS 4 -4.951 -8.468 6.072 42 H LEU 5 HN LEU 5 -1.974 -2.315 4.016 43 HA LEU 5 HA LEU 5 -0.980 -3.023 1.355 44 1HB LEU 5 HB2 LEU 5 -0.818 -0.701 2.016 45 2HB LEU 5 HB1 LEU 5 -0.009 -1.123 3.517 46 HG LEU 5 HG LEU 5 1.949 -1.992 2.113 47 1HD1 LEU 5 HD12 LEU 5 0.385 -0.608 -0.088 48 2HD1 LEU 5 HD11 LEU 5 2.045 -1.165 -0.231 49 3HD1 LEU 5 HD13 LEU 5 0.748 -2.330 -0.014 50 1HD2 LEU 5 HD23 LEU 5 1.797 0.313 3.161 51 2HD2 LEU 5 HD22 LEU 5 2.871 0.190 1.772 52 3HD2 LEU 5 HD21 LEU 5 1.273 0.903 1.588 53 H ILE 6 HN ILE 6 1.030 -3.958 0.915 54 HA ILE 6 HA ILE 6 2.400 -5.312 3.159 55 HB ILE 6 HB ILE 6 1.553 -6.398 0.493 56 1HG1 ILE 6 HG12 ILE 6 1.593 -7.566 3.300 57 2HG1 ILE 6 HG11 ILE 6 0.203 -6.759 2.595 58 1HG2 ILE 6 HG21 ILE 6 3.983 -7.121 2.132 59 2HG2 ILE 6 HG23 ILE 6 3.166 -8.356 1.184 60 3HG2 ILE 6 HG22 ILE 6 3.847 -6.950 0.386 61 1HD1 ILE 6 HD2 ILE 6 0.747 -8.566 0.627 62 2HD1 ILE 6 HD1 ILE 6 1.299 -9.465 2.035 63 3HD1 ILE 6 HD3 ILE 6 -0.360 -8.890 1.954 64 H LEU 7 HN LEU 7 4.194 -4.093 3.359 65 HA LEU 7 HA LEU 7 5.485 -2.884 1.040 66 1HB LEU 7 HB2 LEU 7 6.132 -2.966 3.977 67 2HB LEU 7 HB1 LEU 7 7.206 -2.210 2.806 68 HG LEU 7 HG LEU 7 4.342 -1.458 2.582 69 1HD1 LEU 7 HD11 LEU 7 6.052 -0.835 4.995 70 2HD1 LEU 7 HD13 LEU 7 4.795 0.277 4.464 71 3HD1 LEU 7 HD12 LEU 7 4.371 -1.361 4.951 72 1HD2 LEU 7 HD23 LEU 7 6.344 -0.532 1.271 73 2HD2 LEU 7 HD22 LEU 7 5.291 0.669 2.011 74 3HD2 LEU 7 HD21 LEU 7 6.830 0.262 2.765 75 H ASN 8 HN ASN 8 6.721 -4.025 -0.301 76 HA ASN 8 HA ASN 8 8.369 -6.245 0.832 77 1HB ASN 8 HB2 ASN 8 6.813 -5.895 -1.602 78 2HB ASN 8 HB1 ASN 8 8.459 -6.364 -1.969 79 1HD2 ASN 8 HD22 ASN 8 5.999 -9.186 -0.895 80 2HD2 ASN 8 HD21 ASN 8 5.597 -7.732 -1.662 81 H GLY 9 HN GLY 9 9.151 -3.583 1.216 82 1HA GLY 9 HA2 GLY 9 10.897 -2.502 -0.726 83 2HA GLY 9 HA1 GLY 9 11.052 -2.222 1.002 84 H LYS 10 HN LYS 10 13.077 -2.706 -1.123 85 HA LYS 10 HA LYS 10 14.225 -5.306 -0.868 86 1HB LYS 10 HB2 LYS 10 14.889 -3.672 -2.609 87 2HB LYS 10 HB1 LYS 10 15.630 -2.668 -1.367 88 1HG LYS 10 HG2 LYS 10 17.501 -3.932 -1.397 89 2HG LYS 10 HG1 LYS 10 16.563 -5.393 -1.105 90 1HD LYS 10 HD2 LYS 10 16.096 -5.630 -3.484 91 2HD LYS 10 HD1 LYS 10 16.860 -4.083 -3.827 92 1HE LYS 10 HE2 LYS 10 18.989 -4.929 -3.595 93 2HE LYS 10 HE1 LYS 10 18.509 -6.075 -2.350 94 1HZ LYS 10 HZ1 LYS 10 17.897 -6.330 -5.242 95 2HZ LYS 10 HZ3 LYS 10 19.115 -7.176 -4.414 96 3HZ LYS 10 HZ2 LYS 10 17.483 -7.448 -4.031 97 H THR 11 HN THR 11 15.134 -2.274 0.760 98 HA THR 11 HA THR 11 16.619 -3.851 2.780 99 HB THR 11 HB THR 11 17.085 -1.312 3.548 100 HG1 THR 11 HG1 THR 11 16.067 -0.077 2.161 101 1HG2 THR 11 HG22 THR 11 18.776 -2.919 2.498 102 2HG2 THR 11 HG21 THR 11 18.213 -2.359 0.926 103 3HG2 THR 11 HG23 THR 11 18.991 -1.234 2.035 104 H LEU 12 HN LEU 12 13.516 -3.089 2.382 105 HA LEU 12 HA LEU 12 13.035 -3.071 5.298 106 1HB LEU 12 HB2 LEU 12 13.187 -0.652 4.385 107 2HB LEU 12 HB1 LEU 12 11.637 -0.995 3.626 108 HG LEU 12 HG LEU 12 11.093 -1.910 6.101 109 1HD1 LEU 12 HD12 LEU 12 13.374 -1.340 6.922 110 2HD1 LEU 12 HD11 LEU 12 13.084 0.348 6.511 111 3HD1 LEU 12 HD13 LEU 12 12.130 -0.427 7.773 112 1HD2 LEU 12 HD22 LEU 12 11.042 1.004 5.241 113 2HD2 LEU 12 HD21 LEU 12 9.807 -0.197 4.878 114 3HD2 LEU 12 HD23 LEU 12 10.074 0.316 6.542 115 H LYS 13 HN LYS 13 11.018 -3.871 5.876 116 HA LYS 13 HA LYS 13 9.062 -4.494 3.754 117 1HB LYS 13 HB2 LYS 13 10.405 -6.635 5.423 118 2HB LYS 13 HB1 LYS 13 8.993 -6.905 4.411 119 1HG LYS 13 HG2 LYS 13 10.385 -5.955 2.474 120 2HG LYS 13 HG1 LYS 13 11.779 -6.103 3.537 121 1HD LYS 13 HD2 LYS 13 10.797 -8.564 3.884 122 2HD LYS 13 HD1 LYS 13 10.104 -8.252 2.298 123 1HE LYS 13 HE2 LYS 13 12.183 -9.142 1.713 124 2HE LYS 13 HE1 LYS 13 12.539 -7.420 1.718 125 1HZ LYS 13 HZ2 LYS 13 13.001 -9.257 3.999 126 2HZ LYS 13 HZ1 LYS 13 14.195 -8.722 2.918 127 3HZ LYS 13 HZ3 LYS 13 13.411 -7.611 3.935 128 H GLY 14 HN GLY 14 6.999 -4.452 4.535 129 1HA GLY 14 HA2 GLY 14 6.373 -5.065 7.303 130 2HA GLY 14 HA1 GLY 14 6.356 -3.330 7.004 131 H GLU 15 HN GLU 15 4.102 -3.335 7.485 132 HA GLU 15 HA GLU 15 2.401 -3.534 5.192 133 1HB GLU 15 HB2 GLU 15 0.948 -5.383 5.915 134 2HB GLU 15 HB1 GLU 15 2.590 -5.964 5.674 135 1HG GLU 15 HG2 GLU 15 2.860 -5.371 8.236 136 2HG GLU 15 HG1 GLU 15 1.103 -5.504 8.245 137 H THR 16 HN THR 16 0.700 -2.200 5.520 138 HA THR 16 HA THR 16 -0.273 -1.754 8.287 139 HB THR 16 HB THR 16 1.381 0.022 8.137 140 HG1 THR 16 HG1 THR 16 -1.007 1.222 7.244 141 1HG2 THR 16 HG21 THR 16 0.976 -0.106 5.375 142 2HG2 THR 16 HG23 THR 16 0.177 1.393 5.829 143 3HG2 THR 16 HG22 THR 16 1.880 1.154 6.205 144 H THR 17 HN THR 17 -2.368 -0.854 8.393 145 HA THR 17 HA THR 17 -3.873 -1.064 5.819 146 HB THR 17 HB THR 17 -5.737 -1.870 7.062 147 HG1 THR 17 HG1 THR 17 -4.987 -1.493 9.563 148 1HG2 THR 17 HG22 THR 17 -3.420 -3.240 7.391 149 2HG2 THR 17 HG21 THR 17 -3.701 -2.762 9.063 150 3HG2 THR 17 HG23 THR 17 -4.905 -3.720 8.206 151 H THR 18 HN THR 18 -5.115 0.587 5.116 152 HA THR 18 HA THR 18 -5.436 2.967 6.894 153 HB THR 18 HB THR 18 -3.541 3.227 5.146 154 HG1 THR 18 HG1 THR 18 -4.469 5.011 6.082 155 1HG2 THR 18 HG21 THR 18 -5.361 2.232 3.357 156 2HG2 THR 18 HG23 THR 18 -5.691 3.956 3.216 157 3HG2 THR 18 HG22 THR 18 -4.075 3.338 2.892 158 H GLU 19 HN GLU 19 -7.262 4.290 6.405 159 HA GLU 19 HA GLU 19 -9.478 2.751 5.206 160 1HB GLU 19 HB2 GLU 19 -9.551 5.483 6.511 161 2HB GLU 19 HB1 GLU 19 -10.925 4.435 6.180 162 1HG GLU 19 HG2 GLU 19 -9.390 2.724 7.619 163 2HG GLU 19 HG1 GLU 19 -8.882 4.250 8.336 164 H ALA 20 HN ALA 20 -10.204 3.073 3.200 165 HA ALA 20 HA ALA 20 -9.756 5.714 1.901 166 1HB ALA 20 HB1 ALA 20 -8.367 3.279 1.251 167 2HB ALA 20 HB3 ALA 20 -9.382 3.755 -0.107 168 3HB ALA 20 HB2 ALA 20 -8.183 4.875 0.531 169 H VAL 21 HN VAL 21 -11.552 6.410 0.920 170 HA VAL 21 HA VAL 21 -13.940 4.775 0.889 171 HB VAL 21 HB VAL 21 -13.737 7.351 1.096 172 1HG1 VAL 21 HG12 VAL 21 -12.427 7.320 -1.175 173 2HG1 VAL 21 HG11 VAL 21 -14.028 7.235 -1.900 174 3HG1 VAL 21 HG13 VAL 21 -13.592 8.607 -0.888 175 1HG2 VAL 21 HG21 VAL 21 -15.750 5.758 -0.460 176 2HG2 VAL 21 HG23 VAL 21 -15.934 6.570 1.092 177 3HG2 VAL 21 HG22 VAL 21 -15.928 7.508 -0.398 178 H ASP 22 HN ASP 22 -11.426 5.453 -1.389 179 HA ASP 22 HA ASP 22 -12.768 3.644 -3.330 180 1HB ASP 22 HB2 ASP 22 -11.906 5.273 -5.159 181 2HB ASP 22 HB1 ASP 22 -13.374 5.709 -4.290 182 H ALA 23 HN ALA 23 -11.194 3.072 -5.140 183 HA ALA 23 HA ALA 23 -8.751 2.105 -3.914 184 1HB ALA 23 HB3 ALA 23 -10.167 1.767 -6.464 185 2HB ALA 23 HB2 ALA 23 -8.414 1.729 -6.621 186 3HB ALA 23 HB1 ALA 23 -9.226 0.600 -5.541 187 H ALA 24 HN ALA 24 -9.562 4.689 -6.167 188 HA ALA 24 HA ALA 24 -6.976 5.401 -7.029 189 1HB ALA 24 HB1 ALA 24 -9.589 6.708 -6.857 190 2HB ALA 24 HB3 ALA 24 -8.248 7.839 -6.714 191 3HB ALA 24 HB2 ALA 24 -8.376 6.798 -8.129 192 H THR 25 HN THR 25 -8.761 6.814 -4.285 193 HA THR 25 HA THR 25 -6.471 8.254 -3.312 194 HB THR 25 HB THR 25 -8.886 8.784 -2.685 195 HG1 THR 25 HG1 THR 25 -7.911 8.627 -0.270 196 1HG2 THR 25 HG22 THR 25 -8.974 6.129 -1.861 197 2HG2 THR 25 HG21 THR 25 -8.673 6.988 -0.357 198 3HG2 THR 25 HG23 THR 25 -10.090 7.377 -1.326 199 H ALA 26 HN ALA 26 -7.416 4.956 -3.088 200 HA ALA 26 HA ALA 26 -5.928 4.355 -0.664 201 1HB ALA 26 HB3 ALA 26 -7.784 2.928 -1.740 202 2HB ALA 26 HB2 ALA 26 -6.548 2.382 -2.867 203 3HB ALA 26 HB1 ALA 26 -6.369 2.065 -1.144 204 H GLU 27 HN GLU 27 -5.249 4.335 -4.119 205 HA GLU 27 HA GLU 27 -2.619 3.171 -3.918 206 1HB GLU 27 HB2 GLU 27 -3.863 4.961 -6.025 207 2HB GLU 27 HB1 GLU 27 -2.326 4.135 -6.209 208 1HG GLU 27 HG2 GLU 27 -3.458 1.957 -5.894 209 2HG GLU 27 HG1 GLU 27 -4.998 2.790 -5.726 210 H LYS 28 HN LYS 28 -3.927 6.395 -3.727 211 HA LYS 28 HA LYS 28 -1.318 7.717 -3.759 212 1HB LYS 28 HB2 LYS 28 -3.457 8.742 -4.604 213 2HB LYS 28 HB1 LYS 28 -4.013 8.823 -2.939 214 1HG LYS 28 HG2 LYS 28 -1.892 10.145 -2.414 215 2HG LYS 28 HG1 LYS 28 -1.607 10.230 -4.145 216 1HD LYS 28 HD2 LYS 28 -4.249 11.111 -2.944 217 2HD LYS 28 HD1 LYS 28 -2.880 12.208 -3.037 218 1HE LYS 28 HE2 LYS 28 -4.225 10.799 -5.365 219 2HE LYS 28 HE1 LYS 28 -4.265 12.520 -5.015 220 1HZ LYS 28 HZ1 LYS 28 -1.605 11.866 -5.097 221 2HZ LYS 28 HZ3 LYS 28 -2.296 11.015 -6.394 222 3HZ LYS 28 HZ2 LYS 28 -2.487 12.699 -6.286 223 H VAL 29 HN VAL 29 -3.822 7.073 -1.330 224 HA VAL 29 HA VAL 29 -2.596 8.323 0.879 225 HB VAL 29 HB VAL 29 -4.375 5.892 0.695 226 1HG1 VAL 29 HG12 VAL 29 -3.128 7.243 3.093 227 2HG1 VAL 29 HG11 VAL 29 -4.676 6.412 3.225 228 3HG1 VAL 29 HG13 VAL 29 -3.236 5.521 2.742 229 1HG2 VAL 29 HG21 VAL 29 -5.038 8.417 0.214 230 2HG2 VAL 29 HG23 VAL 29 -6.110 7.385 1.155 231 3HG2 VAL 29 HG22 VAL 29 -5.046 8.527 1.972 232 H PHE 30 HN PHE 30 -2.385 4.882 -0.031 233 HA PHE 30 HA PHE 30 -0.406 4.233 1.923 234 1HB PHE 30 HB2 PHE 30 -1.318 2.965 -0.640 235 2HB PHE 30 HB1 PHE 30 0.125 2.351 0.154 236 HD1 PHE 30 HD1 PHE 30 -0.236 2.141 2.878 237 HD2 PHE 30 HD2 PHE 30 -3.304 1.868 -0.072 238 HE1 PHE 30 HE1 PHE 30 -1.653 0.898 4.453 239 HE2 PHE 30 HE2 PHE 30 -4.693 0.613 1.509 240 HZ PHE 30 HZ PHE 30 -3.867 0.097 3.758 241 H LYS 31 HN LYS 31 -0.155 5.415 -1.386 242 HA LYS 31 HA LYS 31 2.669 5.088 -1.664 243 1HB LYS 31 HB2 LYS 31 1.237 5.581 -3.588 244 2HB LYS 31 HB1 LYS 31 0.836 7.154 -2.907 245 1HG LYS 31 HG2 LYS 31 3.024 7.987 -3.232 246 2HG LYS 31 HG1 LYS 31 3.713 6.375 -3.375 247 1HD LYS 31 HD2 LYS 31 2.483 6.056 -5.514 248 2HD LYS 31 HD1 LYS 31 1.845 7.690 -5.376 249 1HE LYS 31 HE2 LYS 31 4.086 8.633 -5.482 250 2HE LYS 31 HE1 LYS 31 4.806 7.029 -5.431 251 1HZ LYS 31 HZ2 LYS 31 2.944 7.145 -7.533 252 2HZ LYS 31 HZ1 LYS 31 4.005 8.464 -7.664 253 3HZ LYS 31 HZ3 LYS 31 4.620 6.882 -7.609 254 H GLN 32 HN GLN 32 0.713 7.747 -0.410 255 HA GLN 32 HA GLN 32 2.846 9.587 0.028 256 1HB GLN 32 HB2 GLN 32 0.327 10.020 0.196 257 2HB GLN 32 HB1 GLN 32 0.417 9.317 1.807 258 1HG GLN 32 HG2 GLN 32 2.532 11.077 1.856 259 2HG GLN 32 HG1 GLN 32 1.376 11.942 0.846 260 1HE2 GLN 32 HE22 GLN 32 0.733 12.572 4.541 261 2HE2 GLN 32 HE21 GLN 32 2.150 12.645 3.610 262 OH TYR 33 OH TYR 33 4.766 3.087 8.438 263 H TYR 33 HN TYR 33 1.812 6.756 1.726 264 HA TYR 33 HA TYR 33 3.308 7.355 4.161 265 1HB TYR 33 HB2 TYR 33 1.305 5.918 4.240 266 2HB TYR 33 HB1 TYR 33 2.098 4.756 3.181 267 HD1 TYR 33 HD1 TYR 33 4.176 3.583 3.979 268 HD2 TYR 33 HD2 TYR 33 1.827 5.988 6.583 269 HE1 TYR 33 HE1 TYR 33 5.256 2.541 5.914 270 HE2 TYR 33 HE2 TYR 33 2.909 4.945 8.520 271 HH TYR 33 HH TYR 33 5.117 3.788 8.993 272 H ALA 34 HN ALA 34 3.623 4.787 1.723 273 HA ALA 34 HA ALA 34 6.171 3.865 2.441 274 1HB ALA 34 HB1 ALA 34 4.402 3.397 0.351 275 2HB ALA 34 HB3 ALA 34 5.838 4.015 -0.459 276 3HB ALA 34 HB2 ALA 34 5.955 2.598 0.580 277 H ASN 35 HN ASN 35 5.253 6.776 0.793 278 HA ASN 35 HA ASN 35 7.744 7.466 -0.401 279 1HB ASN 35 HB2 ASN 35 5.892 8.799 -1.029 280 2HB ASN 35 HB1 ASN 35 5.434 9.097 0.645 281 1HD2 ASN 35 HD22 ASN 35 8.888 11.002 -0.513 282 2HD2 ASN 35 HD21 ASN 35 8.680 9.356 -0.873 283 H ASP 36 HN ASP 36 6.441 8.165 2.819 284 HA ASP 36 HA ASP 36 8.634 9.709 3.768 285 1HB ASP 36 HB2 ASP 36 6.404 8.181 4.994 286 2HB ASP 36 HB1 ASP 36 7.783 8.513 6.039 287 H ASN 37 HN ASN 37 8.505 6.471 2.884 288 HA ASN 37 HA ASN 37 10.861 5.776 4.595 289 1HB ASN 37 HB2 ASN 37 9.087 3.883 3.036 290 2HB ASN 37 HB1 ASN 37 10.283 3.458 4.259 291 1HD2 ASN 37 HD22 ASN 37 6.694 5.077 5.445 292 2HD2 ASN 37 HD21 ASN 37 7.230 5.313 3.852 293 H GLY 38 HN GLY 38 9.753 6.243 1.354 294 1HA GLY 38 HA2 GLY 38 11.283 6.700 -0.466 295 2HA GLY 38 HA1 GLY 38 12.529 5.796 0.390 296 H VAL 39 HN VAL 39 9.611 4.172 0.540 297 HA VAL 39 HA VAL 39 10.561 2.197 -1.443 298 HB VAL 39 HB VAL 39 8.256 2.139 0.522 299 1HG1 VAL 39 HG13 VAL 39 9.285 0.129 -1.494 300 2HG1 VAL 39 HG12 VAL 39 8.378 -0.371 -0.069 301 3HG1 VAL 39 HG11 VAL 39 7.631 0.686 -1.263 302 1HG2 VAL 39 HG23 VAL 39 10.940 1.940 1.024 303 2HG2 VAL 39 HG22 VAL 39 9.701 1.141 1.988 304 3HG2 VAL 39 HG21 VAL 39 10.532 0.256 0.712 305 H ASP 40 HN ASP 40 10.128 3.232 -3.413 306 HA ASP 40 HA ASP 40 7.255 3.210 -4.165 307 1HB ASP 40 HB2 ASP 40 9.090 5.585 -4.257 308 2HB ASP 40 HB1 ASP 40 7.821 5.420 -5.468 309 H GLY 41 HN GLY 41 6.993 2.173 -6.036 310 1HA GLY 41 HA2 GLY 41 8.601 2.530 -8.362 311 2HA GLY 41 HA1 GLY 41 9.159 1.081 -7.527 312 H GLU 42 HN GLU 42 7.652 -0.652 -7.212 313 HA GLU 42 HA GLU 42 5.564 -0.725 -9.343 314 1HB GLU 42 HB2 GLU 42 7.127 -2.827 -7.876 315 2HB GLU 42 HB1 GLU 42 5.660 -3.244 -8.751 316 1HG GLU 42 HG2 GLU 42 7.799 -3.471 -10.107 317 2HG GLU 42 HG1 GLU 42 6.582 -2.424 -10.832 318 CH2 TRP 43 CH2 TRP 43 2.143 2.505 -2.098 319 H TRP 43 HN TRP 43 3.456 -0.829 -8.817 320 HA TRP 43 HA TRP 43 2.757 -1.355 -5.950 321 1HB TRP 43 HB2 TRP 43 1.804 0.767 -7.846 322 2HB TRP 43 HB1 TRP 43 0.803 0.266 -6.494 323 HD1 TRP 43 HD1 TRP 43 4.407 1.485 -7.189 324 HE1 TRP 43 HE1 TRP 43 5.110 2.815 -5.143 325 HE3 TRP 43 HE3 TRP 43 0.421 0.667 -4.321 326 HZ2 TRP 43 HZ2 TRP 43 4.061 3.381 -2.433 327 HZ3 TRP 43 HZ3 TRP 43 0.253 1.518 -2.036 328 HH2 TRP 43 HH2 TRP 43 2.065 2.879 -1.088 329 H THR 44 HN THR 44 1.262 -2.855 -5.599 330 HA THR 44 HA THR 44 -0.367 -3.800 -7.936 331 HB THR 44 HB THR 44 -0.302 -6.068 -6.638 332 HG1 THR 44 HG1 THR 44 0.546 -4.899 -4.772 333 1HG2 THR 44 HG23 THR 44 1.185 -5.383 -8.693 334 2HG2 THR 44 HG22 THR 44 2.439 -5.109 -7.489 335 3HG2 THR 44 HG21 THR 44 1.741 -6.713 -7.682 336 OH TYR 45 OH TYR 45 -8.894 -1.273 -3.228 337 H TYR 45 HN TYR 45 -2.376 -4.964 -7.243 338 HA TYR 45 HA TYR 45 -3.538 -3.895 -4.708 339 1HB TYR 45 HB2 TYR 45 -4.051 -2.466 -6.808 340 2HB TYR 45 HB1 TYR 45 -5.056 -3.820 -7.331 341 HD1 TYR 45 HD1 TYR 45 -6.616 -4.699 -5.072 342 HD2 TYR 45 HD2 TYR 45 -5.311 -0.750 -5.926 343 HE1 TYR 45 HE1 TYR 45 -8.383 -3.810 -3.651 344 HE2 TYR 45 HE2 TYR 45 -7.125 0.142 -4.550 345 HH TYR 45 HH TYR 45 -8.946 -0.327 -3.382 346 H ASP 46 HN ASP 46 -4.606 -5.460 -3.634 347 HA ASP 46 HA ASP 46 -5.372 -7.934 -5.141 348 1HB ASP 46 HB2 ASP 46 -3.620 -7.948 -3.185 349 2HB ASP 46 HB1 ASP 46 -5.048 -7.872 -2.161 350 H ASP 47 HN ASP 47 -7.430 -7.096 -5.723 351 HA ASP 47 HA ASP 47 -9.293 -6.146 -3.701 352 1HB ASP 47 HB2 ASP 47 -9.610 -5.348 -5.943 353 2HB ASP 47 HB1 ASP 47 -9.635 -6.987 -6.587 354 H ALA 48 HN ALA 48 -8.068 -9.129 -4.273 355 HA ALA 48 HA ALA 48 -10.504 -10.713 -4.054 356 1HB ALA 48 HB2 ALA 48 -8.265 -11.443 -5.087 357 2HB ALA 48 HB1 ALA 48 -7.715 -11.679 -3.432 358 3HB ALA 48 HB3 ALA 48 -9.078 -12.608 -4.047 359 H THR 49 HN THR 49 -8.303 -9.199 -1.848 360 HA THR 49 HA THR 49 -9.984 -10.151 0.404 361 HB THR 49 HB THR 49 -8.044 -10.910 1.723 362 HG1 THR 49 HG1 THR 49 -6.005 -10.758 0.646 363 1HG2 THR 49 HG21 THR 49 -8.970 -12.542 -0.030 364 2HG2 THR 49 HG23 THR 49 -7.683 -11.987 -1.097 365 3HG2 THR 49 HG22 THR 49 -7.285 -12.806 0.410 366 H LYS 50 HN LYS 50 -9.169 -7.593 -1.102 367 HA LYS 50 HA LYS 50 -8.739 -5.354 -0.538 368 1HB LYS 50 HB2 LYS 50 -9.607 -6.227 2.226 369 2HB LYS 50 HB1 LYS 50 -9.675 -4.599 1.557 370 1HG LYS 50 HG2 LYS 50 -11.196 -5.555 -0.265 371 2HG LYS 50 HG1 LYS 50 -11.293 -7.018 0.709 372 1HD LYS 50 HD2 LYS 50 -12.199 -5.754 2.595 373 2HD LYS 50 HD1 LYS 50 -11.990 -4.241 1.723 374 1HE LYS 50 HE2 LYS 50 -14.325 -4.965 1.551 375 2HE LYS 50 HE1 LYS 50 -13.561 -5.068 -0.030 376 1HZ LYS 50 HZ1 LYS 50 -13.093 -7.497 1.137 377 2HZ LYS 50 HZ3 LYS 50 -14.695 -7.130 1.565 378 3HZ LYS 50 HZ2 LYS 50 -14.237 -7.158 -0.070 379 H THR 51 HN THR 51 -6.464 -6.481 -0.771 380 HA THR 51 HA THR 51 -4.868 -5.581 1.595 381 HB THR 51 HB THR 51 -4.550 -8.226 0.091 382 HG1 THR 51 HG1 THR 51 -4.709 -8.648 2.561 383 1HG2 THR 51 HG23 THR 51 -2.439 -6.779 1.193 384 2HG2 THR 51 HG22 THR 51 -2.995 -7.739 2.552 385 3HG2 THR 51 HG21 THR 51 -2.491 -8.527 1.065 386 H PHE 52 HN PHE 52 -3.678 -3.907 0.798 387 HA PHE 52 HA PHE 52 -3.006 -3.741 -2.038 388 1HB PHE 52 HB2 PHE 52 -2.983 -1.988 0.258 389 2HB PHE 52 HB1 PHE 52 -1.468 -1.883 -0.625 390 HD1 PHE 52 HD1 PHE 52 -1.454 -1.198 -3.025 391 HD2 PHE 52 HD2 PHE 52 -5.052 -1.306 -0.788 392 HE1 PHE 52 HE1 PHE 52 -2.599 0.108 -4.770 393 HE2 PHE 52 HE2 PHE 52 -6.144 0.118 -2.431 394 HZ PHE 52 HZ PHE 52 -4.904 0.875 -4.400 395 H THR 53 HN THR 53 -0.683 -3.423 -2.696 396 HA THR 53 HA THR 53 1.357 -4.522 -0.911 397 HB THR 53 HB THR 53 0.469 -6.085 -3.363 398 HG1 THR 53 HG1 THR 53 0.002 -7.572 -1.723 399 1HG2 THR 53 HG23 THR 53 3.022 -5.972 -1.914 400 2HG2 THR 53 HG22 THR 53 2.278 -7.567 -1.823 401 3HG2 THR 53 HG21 THR 53 2.633 -6.849 -3.391 402 H VAL 54 HN VAL 54 3.298 -3.684 -1.410 403 HA VAL 54 HA VAL 54 3.711 -2.616 -4.172 404 HB VAL 54 HB VAL 54 3.036 -0.785 -2.566 405 1HG1 VAL 54 HG11 VAL 54 4.220 -1.938 -0.629 406 2HG1 VAL 54 HG13 VAL 54 5.726 -1.314 -1.291 407 3HG1 VAL 54 HG12 VAL 54 4.473 -0.204 -0.752 408 1HG2 VAL 54 HG22 VAL 54 5.830 -0.763 -3.741 409 2HG2 VAL 54 HG21 VAL 54 4.362 -0.132 -4.465 410 3HG2 VAL 54 HG23 VAL 54 5.065 0.666 -3.066 411 H THR 55 HN THR 55 5.900 -2.590 -4.820 412 HA THR 55 HA THR 55 7.876 -3.805 -2.962 413 HB THR 55 HB THR 55 7.277 -4.958 -5.720 414 HG1 THR 55 HG1 THR 55 6.088 -6.316 -4.578 415 1HG2 THR 55 HG21 THR 55 9.474 -5.287 -3.755 416 2HG2 THR 55 HG23 THR 55 8.701 -6.794 -4.241 417 3HG2 THR 55 HG22 THR 55 9.425 -5.744 -5.451 418 H GLU 56 HN GLU 56 9.618 -2.524 -3.031 419 HA GLU 56 HA GLU 56 10.053 -0.545 -5.061 420 1HB GLU 56 HB2 GLU 56 11.105 -1.074 -2.556 421 2HB GLU 56 HB1 GLU 56 12.467 -1.375 -3.628 422 1HG GLU 56 HG2 GLU 56 10.763 1.141 -3.587 423 2HG GLU 56 HG1 GLU 56 12.409 1.000 -2.970 Start of MODEL 45 Raw file had 423 H/Q atoms Entry Start of MODEL 45 1 1H MET 1 HT1 MET 1 -13.972 -0.891 5.662 2 2H MET 1 HT3 MET 1 -14.309 0.774 5.671 3 3H MET 1 HT2 MET 1 -15.371 -0.304 4.898 4 HA MET 1 HA MET 1 -13.686 -0.850 3.268 5 1HB MET 1 HB2 MET 1 -13.920 2.156 3.496 6 2HB MET 1 HB1 MET 1 -13.751 1.201 2.028 7 1HG MET 1 HG2 MET 1 -16.000 1.341 1.932 8 2HG MET 1 HG1 MET 1 -15.948 0.044 3.096 9 1HE MET 1 HE3 MET 1 -18.385 0.567 3.308 10 2HE MET 1 HE2 MET 1 -17.701 0.038 4.846 11 3HE MET 1 HE1 MET 1 -18.861 1.368 4.807 12 H THR 2 HN THR 2 -11.826 -1.600 4.513 13 HA THR 2 HA THR 2 -9.621 0.406 4.425 14 HB THR 2 HB THR 2 -9.888 -1.569 6.717 15 HG1 THR 2 HG1 THR 2 -10.907 1.019 6.218 16 1HG2 THR 2 HG21 THR 2 -7.715 -0.129 6.006 17 2HG2 THR 2 HG23 THR 2 -8.602 1.131 6.858 18 3HG2 THR 2 HG22 THR 2 -8.157 -0.352 7.696 19 OH TYR 3 OH TYR 3 -11.591 0.261 -1.091 20 H TYR 3 HN TYR 3 -7.920 -0.362 3.312 21 HA TYR 3 HA TYR 3 -7.837 -3.295 2.761 22 1HB TYR 3 HB2 TYR 3 -6.160 -1.215 1.362 23 2HB TYR 3 HB1 TYR 3 -6.629 -2.811 0.789 24 HD1 TYR 3 HD1 TYR 3 -7.972 0.564 1.615 25 HD2 TYR 3 HD2 TYR 3 -8.693 -3.133 -0.353 26 HE1 TYR 3 HE1 TYR 3 -9.974 1.512 0.560 27 HE2 TYR 3 HE2 TYR 3 -10.690 -2.187 -1.409 28 HH TYR 3 HH TYR 3 -12.343 -0.283 -0.846 29 H LYS 4 HN LYS 4 -5.508 -4.121 2.457 30 HA LYS 4 HA LYS 4 -3.838 -3.144 4.741 31 1HB LYS 4 HB2 LYS 4 -5.010 -5.339 5.118 32 2HB LYS 4 HB1 LYS 4 -4.109 -5.997 3.789 33 1HG LYS 4 HG2 LYS 4 -2.149 -6.103 4.972 34 2HG LYS 4 HG1 LYS 4 -2.475 -4.615 5.846 35 1HD LYS 4 HD2 LYS 4 -2.556 -6.554 7.371 36 2HD LYS 4 HD1 LYS 4 -4.140 -5.798 7.246 37 1HE LYS 4 HE2 LYS 4 -5.010 -7.534 5.934 38 2HE LYS 4 HE1 LYS 4 -3.423 -8.034 5.366 39 1HZ LYS 4 HZ1 LYS 4 -3.080 -8.540 7.892 40 2HZ LYS 4 HZ3 LYS 4 -4.775 -8.646 7.886 41 3HZ LYS 4 HZ2 LYS 4 -3.858 -9.655 6.874 42 H LEU 5 HN LEU 5 -2.030 -2.256 3.969 43 HA LEU 5 HA LEU 5 -1.002 -2.973 1.329 44 1HB LEU 5 HB2 LEU 5 -0.857 -0.651 1.999 45 2HB LEU 5 HB1 LEU 5 -0.046 -1.077 3.498 46 HG LEU 5 HG LEU 5 1.919 -1.925 2.103 47 1HD1 LEU 5 HD13 LEU 5 0.362 -0.565 -0.118 48 2HD1 LEU 5 HD12 LEU 5 2.024 -1.122 -0.246 49 3HD1 LEU 5 HD11 LEU 5 0.725 -2.284 -0.028 50 1HD2 LEU 5 HD21 LEU 5 1.739 0.389 3.132 51 2HD2 LEU 5 HD23 LEU 5 2.820 0.267 1.748 52 3HD2 LEU 5 HD22 LEU 5 1.214 0.961 1.552 53 H ILE 6 HN ILE 6 1.024 -3.896 0.901 54 HA ILE 6 HA ILE 6 2.376 -5.244 3.165 55 HB ILE 6 HB ILE 6 2.076 -6.393 0.383 56 1HG1 ILE 6 HG12 ILE 6 0.656 -7.210 2.946 57 2HG1 ILE 6 HG11 ILE 6 -0.092 -6.270 1.663 58 1HG2 ILE 6 HG21 ILE 6 3.884 -6.931 2.485 59 2HG2 ILE 6 HG23 ILE 6 2.705 -8.235 2.542 60 3HG2 ILE 6 HG22 ILE 6 3.601 -7.923 1.059 61 1HD1 ILE 6 HD3 ILE 6 1.241 -8.808 0.822 62 2HD1 ILE 6 HD2 ILE 6 -0.242 -8.972 1.753 63 3HD1 ILE 6 HD1 ILE 6 -0.243 -8.080 0.239 64 H LEU 7 HN LEU 7 4.167 -4.032 3.385 65 HA LEU 7 HA LEU 7 5.469 -2.802 1.087 66 1HB LEU 7 HB2 LEU 7 6.117 -2.926 4.024 67 2HB LEU 7 HB1 LEU 7 7.182 -2.143 2.861 68 HG LEU 7 HG LEU 7 4.323 -1.398 2.636 69 1HD1 LEU 7 HD13 LEU 7 6.003 -0.741 5.073 70 2HD1 LEU 7 HD12 LEU 7 4.623 0.235 4.580 71 3HD1 LEU 7 HD11 LEU 7 4.391 -1.449 5.040 72 1HD2 LEU 7 HD23 LEU 7 6.206 -0.375 1.337 73 2HD2 LEU 7 HD22 LEU 7 5.320 0.811 2.290 74 3HD2 LEU 7 HD21 LEU 7 6.884 0.223 2.847 75 H ASN 8 HN ASN 8 6.676 -3.977 -0.270 76 HA ASN 8 HA ASN 8 8.318 -6.199 0.863 77 1HB ASN 8 HB2 ASN 8 6.821 -5.792 -1.611 78 2HB ASN 8 HB1 ASN 8 8.463 -6.317 -1.922 79 1HD2 ASN 8 HD22 ASN 8 5.892 -9.071 -0.976 80 2HD2 ASN 8 HD21 ASN 8 5.582 -7.617 -1.784 81 H GLY 9 HN GLY 9 9.140 -3.560 1.302 82 1HA GLY 9 HA2 GLY 9 10.913 -2.469 -0.612 83 2HA GLY 9 HA1 GLY 9 11.076 -2.235 1.122 84 H LYS 10 HN LYS 10 13.087 -2.737 -1.023 85 HA LYS 10 HA LYS 10 14.153 -5.366 -0.860 86 1HB LYS 10 HB2 LYS 10 15.105 -2.717 -1.705 87 2HB LYS 10 HB1 LYS 10 16.383 -3.773 -1.118 88 1HG LYS 10 HG2 LYS 10 15.829 -5.481 -2.709 89 2HG LYS 10 HG1 LYS 10 14.314 -4.692 -3.130 90 1HD LYS 10 HD2 LYS 10 15.350 -3.092 -4.438 91 2HD LYS 10 HD1 LYS 10 16.821 -3.103 -3.471 92 1HE LYS 10 HE2 LYS 10 16.064 -5.541 -5.066 93 2HE LYS 10 HE1 LYS 10 16.853 -4.187 -5.865 94 1HZ LYS 10 HZ2 LYS 10 18.395 -4.469 -3.717 95 2HZ LYS 10 HZ1 LYS 10 17.914 -6.081 -3.950 96 3HZ LYS 10 HZ3 LYS 10 18.695 -5.239 -5.201 97 H THR 11 HN THR 11 15.291 -2.472 0.870 98 HA THR 11 HA THR 11 16.576 -4.225 2.878 99 HB THR 11 HB THR 11 17.245 -1.756 3.724 100 HG1 THR 11 HG1 THR 11 16.962 -0.321 2.108 101 1HG2 THR 11 HG23 THR 11 18.842 -3.438 2.703 102 2HG2 THR 11 HG22 THR 11 18.311 -2.900 1.113 103 3HG2 THR 11 HG21 THR 11 19.159 -1.787 2.181 104 H LEU 12 HN LEU 12 13.558 -3.251 2.470 105 HA LEU 12 HA LEU 12 13.049 -3.196 5.383 106 1HB LEU 12 HB2 LEU 12 13.300 -0.810 4.696 107 2HB LEU 12 HB1 LEU 12 12.002 -1.033 3.533 108 HG LEU 12 HG LEU 12 10.464 -1.665 5.403 109 1HD1 LEU 12 HD13 LEU 12 13.009 -1.321 6.950 110 2HD1 LEU 12 HD12 LEU 12 11.506 -0.830 7.720 111 3HD1 LEU 12 HD11 LEU 12 11.715 -2.491 7.179 112 1HD2 LEU 12 HD21 LEU 12 10.641 0.689 4.609 113 2HD2 LEU 12 HD23 LEU 12 10.244 0.602 6.323 114 3HD2 LEU 12 HD22 LEU 12 11.887 0.984 5.817 115 H LYS 13 HN LYS 13 11.028 -3.987 5.940 116 HA LYS 13 HA LYS 13 9.069 -4.520 3.796 117 1HB LYS 13 HB2 LYS 13 10.290 -6.721 5.476 118 2HB LYS 13 HB1 LYS 13 8.918 -6.925 4.397 119 1HG LYS 13 HG2 LYS 13 10.422 -6.001 2.539 120 2HG LYS 13 HG1 LYS 13 11.764 -6.201 3.660 121 1HD LYS 13 HD2 LYS 13 10.684 -8.635 3.930 122 2HD LYS 13 HD1 LYS 13 10.093 -8.283 2.311 123 1HE LYS 13 HE2 LYS 13 12.588 -7.518 1.892 124 2HE LYS 13 HE1 LYS 13 12.927 -8.552 3.275 125 1HZ LYS 13 HZ1 LYS 13 11.450 -9.412 0.852 126 2HZ LYS 13 HZ3 LYS 13 13.097 -9.710 1.138 127 3HZ LYS 13 HZ2 LYS 13 11.922 -10.395 2.155 128 H GLY 14 HN GLY 14 7.000 -4.426 4.542 129 1HA GLY 14 HA2 GLY 14 6.331 -5.015 7.311 130 2HA GLY 14 HA1 GLY 14 6.328 -3.286 6.981 131 H GLU 15 HN GLU 15 4.059 -3.323 7.463 132 HA GLU 15 HA GLU 15 2.380 -3.487 5.157 133 1HB GLU 15 HB2 GLU 15 0.919 -5.365 5.875 134 2HB GLU 15 HB1 GLU 15 2.550 -5.916 5.517 135 1HG GLU 15 HG2 GLU 15 2.695 -5.216 8.208 136 2HG GLU 15 HG1 GLU 15 1.097 -5.944 8.064 137 H THR 16 HN THR 16 0.678 -2.152 5.513 138 HA THR 16 HA THR 16 -0.317 -1.808 8.291 139 HB THR 16 HB THR 16 1.482 -0.053 7.910 140 HG1 THR 16 HG1 THR 16 0.061 0.701 9.309 141 1HG2 THR 16 HG21 THR 16 0.328 0.221 5.400 142 2HG2 THR 16 HG23 THR 16 -0.394 1.552 6.294 143 3HG2 THR 16 HG22 THR 16 1.357 1.427 6.158 144 H THR 17 HN THR 17 -2.416 -0.939 8.423 145 HA THR 17 HA THR 17 -3.931 -1.109 5.855 146 HB THR 17 HB THR 17 -5.794 -1.909 7.111 147 HG1 THR 17 HG1 THR 17 -6.127 -1.042 9.034 148 1HG2 THR 17 HG22 THR 17 -3.408 -3.229 7.492 149 2HG2 THR 17 HG21 THR 17 -3.845 -2.836 9.151 150 3HG2 THR 17 HG23 THR 17 -4.941 -3.786 8.154 151 H THR 18 HN THR 18 -5.157 0.551 5.155 152 HA THR 18 HA THR 18 -5.448 2.932 6.941 153 HB THR 18 HB THR 18 -3.577 3.098 5.088 154 HG1 THR 18 HG1 THR 18 -5.620 4.741 5.973 155 1HG2 THR 18 HG23 THR 18 -5.456 2.330 3.340 156 2HG2 THR 18 HG22 THR 18 -5.915 4.026 3.439 157 3HG2 THR 18 HG21 THR 18 -4.297 3.581 2.904 158 H GLU 19 HN GLU 19 -7.300 4.188 6.580 159 HA GLU 19 HA GLU 19 -9.522 2.696 5.364 160 1HB GLU 19 HB2 GLU 19 -9.304 5.210 7.005 161 2HB GLU 19 HB1 GLU 19 -10.809 4.794 6.195 162 1HG GLU 19 HG2 GLU 19 -10.811 2.591 7.331 163 2HG GLU 19 HG1 GLU 19 -9.308 3.013 8.146 164 H ALA 20 HN ALA 20 -10.291 3.035 3.381 165 HA ALA 20 HA ALA 20 -9.826 5.668 2.071 166 1HB ALA 20 HB1 ALA 20 -8.539 3.169 1.376 167 2HB ALA 20 HB3 ALA 20 -9.522 3.752 0.036 168 3HB ALA 20 HB2 ALA 20 -8.263 4.776 0.716 169 H VAL 21 HN VAL 21 -11.368 6.202 0.495 170 HA VAL 21 HA VAL 21 -13.907 4.723 0.781 171 HB VAL 21 HB VAL 21 -14.202 7.061 0.958 172 1HG1 VAL 21 HG12 VAL 21 -12.368 7.202 -1.453 173 2HG1 VAL 21 HG11 VAL 21 -13.289 8.586 -0.873 174 3HG1 VAL 21 HG13 VAL 21 -12.071 7.845 0.158 175 1HG2 VAL 21 HG21 VAL 21 -15.636 5.746 -0.814 176 2HG2 VAL 21 HG23 VAL 21 -15.740 7.503 -0.764 177 3HG2 VAL 21 HG22 VAL 21 -14.746 6.714 -1.985 178 H ASP 22 HN ASP 22 -11.419 5.298 -1.584 179 HA ASP 22 HA ASP 22 -12.764 3.352 -3.389 180 1HB ASP 22 HB2 ASP 22 -12.245 4.792 -5.353 181 2HB ASP 22 HB1 ASP 22 -13.391 5.557 -4.253 182 H ALA 23 HN ALA 23 -11.264 2.545 -5.080 183 HA ALA 23 HA ALA 23 -8.742 1.799 -3.904 184 1HB ALA 23 HB2 ALA 23 -10.094 1.359 -6.532 185 2HB ALA 23 HB1 ALA 23 -8.364 1.050 -6.428 186 3HB ALA 23 HB3 ALA 23 -9.478 0.178 -5.381 187 H ALA 24 HN ALA 24 -9.758 4.450 -5.836 188 HA ALA 24 HA ALA 24 -7.182 5.092 -6.993 189 1HB ALA 24 HB3 ALA 24 -9.682 5.953 -7.492 190 2HB ALA 24 HB2 ALA 24 -9.135 7.269 -6.459 191 3HB ALA 24 HB1 ALA 24 -8.256 6.887 -7.936 192 H THR 25 HN THR 25 -9.013 6.550 -4.303 193 HA THR 25 HA THR 25 -6.882 8.249 -3.438 194 HB THR 25 HB THR 25 -9.414 8.307 -2.748 195 HG1 THR 25 HG1 THR 25 -7.111 8.644 -1.131 196 1HG2 THR 25 HG23 THR 25 -9.006 5.887 -1.648 197 2HG2 THR 25 HG22 THR 25 -8.389 6.869 -0.323 198 3HG2 THR 25 HG21 THR 25 -10.052 7.069 -0.868 199 H ALA 26 HN ALA 26 -7.450 4.874 -3.033 200 HA ALA 26 HA ALA 26 -5.786 4.543 -0.671 201 1HB ALA 26 HB1 ALA 26 -7.540 2.900 -1.336 202 2HB ALA 26 HB3 ALA 26 -6.571 2.479 -2.745 203 3HB ALA 26 HB2 ALA 26 -5.960 2.152 -1.127 204 H GLU 27 HN GLU 27 -5.296 4.449 -4.137 205 HA GLU 27 HA GLU 27 -2.668 3.325 -4.137 206 1HB GLU 27 HB2 GLU 27 -4.301 4.946 -6.037 207 2HB GLU 27 HB1 GLU 27 -2.572 4.839 -6.336 208 1HG GLU 27 HG2 GLU 27 -2.719 2.360 -6.262 209 2HG GLU 27 HG1 GLU 27 -4.454 2.482 -5.987 210 H LYS 28 HN LYS 28 -3.780 6.700 -4.073 211 HA LYS 28 HA LYS 28 -1.050 7.726 -3.919 212 1HB LYS 28 HB2 LYS 28 -2.099 9.914 -3.689 213 2HB LYS 28 HB1 LYS 28 -2.894 9.010 -4.973 214 1HG LYS 28 HG2 LYS 28 -4.554 8.233 -3.161 215 2HG LYS 28 HG1 LYS 28 -3.879 9.512 -2.160 216 1HD LYS 28 HD2 LYS 28 -4.292 10.956 -4.373 217 2HD LYS 28 HD1 LYS 28 -5.515 9.722 -4.656 218 1HE LYS 28 HE2 LYS 28 -6.137 10.188 -2.132 219 2HE LYS 28 HE1 LYS 28 -5.322 11.718 -2.418 220 1HZ LYS 28 HZ3 LYS 28 -6.897 11.476 -4.590 221 2HZ LYS 28 HZ2 LYS 28 -7.865 10.785 -3.378 222 3HZ LYS 28 HZ1 LYS 28 -7.283 12.371 -3.199 223 H VAL 29 HN VAL 29 -3.655 7.091 -1.634 224 HA VAL 29 HA VAL 29 -2.530 8.439 0.615 225 HB VAL 29 HB VAL 29 -4.358 6.051 0.388 226 1HG1 VAL 29 HG13 VAL 29 -3.192 7.401 2.823 227 2HG1 VAL 29 HG12 VAL 29 -4.760 6.603 2.892 228 3HG1 VAL 29 HG11 VAL 29 -3.318 5.679 2.486 229 1HG2 VAL 29 HG21 VAL 29 -4.894 8.628 -0.118 230 2HG2 VAL 29 HG23 VAL 29 -6.070 7.586 0.678 231 3HG2 VAL 29 HG22 VAL 29 -5.069 8.674 1.634 232 H PHE 30 HN PHE 30 -2.487 4.933 -0.028 233 HA PHE 30 HA PHE 30 -0.556 4.278 1.928 234 1HB PHE 30 HB2 PHE 30 -1.452 3.009 -0.631 235 2HB PHE 30 HB1 PHE 30 0.004 2.389 0.138 236 HD1 PHE 30 HD1 PHE 30 -0.310 2.170 2.859 237 HD2 PHE 30 HD2 PHE 30 -3.430 1.913 -0.034 238 HE1 PHE 30 HE1 PHE 30 -1.700 0.916 4.454 239 HE2 PHE 30 HE2 PHE 30 -4.795 0.651 1.564 240 HZ PHE 30 HZ PHE 30 -3.927 0.126 3.798 241 H LYS 31 HN LYS 31 -0.169 5.476 -1.351 242 HA LYS 31 HA LYS 31 2.649 5.050 -1.569 243 1HB LYS 31 HB2 LYS 31 1.229 5.626 -3.500 244 2HB LYS 31 HB1 LYS 31 0.949 7.223 -2.813 245 1HG LYS 31 HG2 LYS 31 3.287 7.800 -3.003 246 2HG LYS 31 HG1 LYS 31 3.713 6.148 -3.437 247 1HD LYS 31 HD2 LYS 31 2.849 6.344 -5.588 248 2HD LYS 31 HD1 LYS 31 1.688 7.581 -5.120 249 1HE LYS 31 HE2 LYS 31 3.254 9.294 -5.247 250 2HE LYS 31 HE1 LYS 31 4.605 8.226 -4.894 251 1HZ LYS 31 HZ3 LYS 31 3.418 7.403 -7.292 252 2HZ LYS 31 HZ2 LYS 31 3.688 9.077 -7.382 253 3HZ LYS 31 HZ1 LYS 31 4.978 8.026 -7.043 254 H GLN 32 HN GLN 32 0.742 7.690 -0.228 255 HA GLN 32 HA GLN 32 2.865 9.523 0.238 256 1HB GLN 32 HB2 GLN 32 0.462 10.086 0.508 257 2HB GLN 32 HB1 GLN 32 0.399 9.063 1.939 258 1HG GLN 32 HG2 GLN 32 2.051 10.464 3.068 259 2HG GLN 32 HG1 GLN 32 2.273 11.432 1.613 260 1HE2 GLN 32 HE22 GLN 32 -0.584 13.421 2.177 261 2HE2 GLN 32 HE21 GLN 32 0.722 13.066 1.153 262 OH TYR 33 OH TYR 33 5.076 2.733 8.362 263 H TYR 33 HN TYR 33 1.840 6.651 1.921 264 HA TYR 33 HA TYR 33 3.413 7.111 4.311 265 1HB TYR 33 HB2 TYR 33 1.483 5.552 4.264 266 2HB TYR 33 HB1 TYR 33 2.374 4.509 3.162 267 HD1 TYR 33 HD1 TYR 33 4.469 3.392 3.926 268 HD2 TYR 33 HD2 TYR 33 2.012 5.576 6.622 269 HE1 TYR 33 HE1 TYR 33 5.595 2.321 5.818 270 HE2 TYR 33 HE2 TYR 33 3.138 4.502 8.518 271 HH TYR 33 HH TYR 33 5.775 2.175 8.014 272 H ALA 34 HN ALA 34 3.840 4.699 1.734 273 HA ALA 34 HA ALA 34 6.408 3.836 2.318 274 1HB ALA 34 HB3 ALA 34 4.894 4.181 -0.226 275 2HB ALA 34 HB2 ALA 34 6.619 3.850 -0.350 276 3HB ALA 34 HB1 ALA 34 5.563 2.717 0.489 277 H ASN 35 HN ASN 35 5.455 6.875 0.859 278 HA ASN 35 HA ASN 35 7.967 7.754 -0.109 279 1HB ASN 35 HB2 ASN 35 5.857 8.969 -0.520 280 2HB ASN 35 HB1 ASN 35 5.784 9.417 1.182 281 1HD2 ASN 35 HD22 ASN 35 9.234 10.976 -0.123 282 2HD2 ASN 35 HD21 ASN 35 9.020 9.325 0.209 283 H ASP 36 HN ASP 36 6.585 7.913 3.137 284 HA ASP 36 HA ASP 36 8.681 9.461 4.321 285 1HB ASP 36 HB2 ASP 36 6.526 7.659 5.327 286 2HB ASP 36 HB1 ASP 36 7.846 8.042 6.430 287 H ASN 37 HN ASN 37 8.936 6.582 2.820 288 HA ASN 37 HA ASN 37 11.274 5.756 4.501 289 1HB ASN 37 HB2 ASN 37 9.263 3.992 3.082 290 2HB ASN 37 HB1 ASN 37 10.762 3.402 3.794 291 1HD2 ASN 37 HD22 ASN 37 7.620 4.395 6.198 292 2HD2 ASN 37 HD21 ASN 37 7.569 4.718 4.532 293 H GLY 38 HN GLY 38 9.878 6.161 1.331 294 1HA GLY 38 HA2 GLY 38 11.235 6.823 -0.572 295 2HA GLY 38 HA1 GLY 38 12.617 6.030 0.175 296 H VAL 39 HN VAL 39 9.597 4.369 0.197 297 HA VAL 39 HA VAL 39 10.729 2.374 -1.687 298 HB VAL 39 HB VAL 39 8.312 2.235 0.134 299 1HG1 VAL 39 HG13 VAL 39 9.509 0.376 -1.895 300 2HG1 VAL 39 HG12 VAL 39 8.820 -0.315 -0.430 301 3HG1 VAL 39 HG11 VAL 39 7.815 0.654 -1.503 302 1HG2 VAL 39 HG21 VAL 39 10.787 2.299 1.038 303 2HG2 VAL 39 HG23 VAL 39 9.674 1.080 1.653 304 3HG2 VAL 39 HG22 VAL 39 10.855 0.652 0.419 305 H ASP 40 HN ASP 40 10.355 3.741 -3.560 306 HA ASP 40 HA ASP 40 7.489 3.705 -4.443 307 1HB ASP 40 HB2 ASP 40 9.473 5.672 -5.537 308 2HB ASP 40 HB1 ASP 40 7.719 5.804 -5.436 309 H GLY 41 HN GLY 41 7.190 2.303 -6.044 310 1HA GLY 41 HA2 GLY 41 8.913 2.270 -8.381 311 2HA GLY 41 HA1 GLY 41 9.120 0.823 -7.398 312 H GLU 42 HN GLU 42 7.605 -0.765 -7.497 313 HA GLU 42 HA GLU 42 5.408 -0.370 -9.470 314 1HB GLU 42 HB2 GLU 42 6.480 -2.907 -8.228 315 2HB GLU 42 HB1 GLU 42 5.299 -2.819 -9.527 316 1HG GLU 42 HG2 GLU 42 8.072 -1.603 -9.730 317 2HG GLU 42 HG1 GLU 42 7.690 -3.228 -10.294 318 CH2 TRP 43 CH2 TRP 43 2.120 2.491 -2.090 319 H TRP 43 HN TRP 43 3.271 -0.749 -8.939 320 HA TRP 43 HA TRP 43 2.690 -1.252 -6.044 321 1HB TRP 43 HB2 TRP 43 1.675 0.893 -7.877 322 2HB TRP 43 HB1 TRP 43 0.698 0.359 -6.519 323 HD1 TRP 43 HD1 TRP 43 4.276 1.624 -7.254 324 HE1 TRP 43 HE1 TRP 43 5.024 2.888 -5.183 325 HE3 TRP 43 HE3 TRP 43 0.355 0.716 -4.328 326 HZ2 TRP 43 HZ2 TRP 43 4.027 3.379 -2.439 327 HZ3 TRP 43 HZ3 TRP 43 0.231 1.499 -2.019 328 HH2 TRP 43 HH2 TRP 43 2.062 2.836 -1.068 329 H THR 44 HN THR 44 1.184 -2.741 -5.641 330 HA THR 44 HA THR 44 -0.481 -3.710 -7.942 331 HB THR 44 HB THR 44 -0.370 -5.966 -6.601 332 HG1 THR 44 HG1 THR 44 1.832 -4.432 -5.644 333 1HG2 THR 44 HG21 THR 44 1.966 -4.690 -8.054 334 2HG2 THR 44 HG23 THR 44 2.064 -6.335 -7.431 335 3HG2 THR 44 HG22 THR 44 0.870 -5.928 -8.660 336 OH TYR 45 OH TYR 45 -8.967 -1.364 -3.102 337 H TYR 45 HN TYR 45 -2.428 -4.959 -7.173 338 HA TYR 45 HA TYR 45 -3.583 -3.894 -4.640 339 1HB TYR 45 HB2 TYR 45 -4.150 -2.479 -6.736 340 2HB TYR 45 HB1 TYR 45 -5.135 -3.852 -7.240 341 HD1 TYR 45 HD1 TYR 45 -6.639 -4.752 -4.949 342 HD2 TYR 45 HD2 TYR 45 -5.434 -0.780 -5.852 343 HE1 TYR 45 HE1 TYR 45 -8.406 -3.891 -3.512 344 HE2 TYR 45 HE2 TYR 45 -7.253 0.078 -4.466 345 HH TYR 45 HH TYR 45 -9.801 -1.593 -3.520 346 H ASP 46 HN ASP 46 -4.605 -5.486 -3.554 347 HA ASP 46 HA ASP 46 -5.301 -7.988 -5.048 348 1HB ASP 46 HB2 ASP 46 -3.568 -7.947 -3.084 349 2HB ASP 46 HB1 ASP 46 -4.999 -7.869 -2.062 350 H ASP 47 HN ASP 47 -7.371 -7.140 -5.657 351 HA ASP 47 HA ASP 47 -9.276 -6.266 -3.645 352 1HB ASP 47 HB2 ASP 47 -9.293 -5.689 -6.143 353 2HB ASP 47 HB1 ASP 47 -9.966 -7.297 -6.397 354 H ALA 48 HN ALA 48 -7.946 -9.175 -4.037 355 HA ALA 48 HA ALA 48 -10.351 -10.846 -3.929 356 1HB ALA 48 HB3 ALA 48 -8.202 -11.626 -4.944 357 2HB ALA 48 HB2 ALA 48 -7.477 -11.597 -3.339 358 3HB ALA 48 HB1 ALA 48 -8.802 -12.704 -3.687 359 H THR 49 HN THR 49 -8.193 -9.311 -1.677 360 HA THR 49 HA THR 49 -9.926 -10.256 0.540 361 HB THR 49 HB THR 49 -7.595 -10.568 1.833 362 HG1 THR 49 HG1 THR 49 -7.154 -10.804 -0.961 363 1HG2 THR 49 HG23 THR 49 -8.624 -12.577 -0.213 364 2HG2 THR 49 HG22 THR 49 -7.562 -12.955 1.140 365 3HG2 THR 49 HG21 THR 49 -9.218 -12.435 1.438 366 H LYS 50 HN LYS 50 -9.102 -7.709 -0.973 367 HA LYS 50 HA LYS 50 -8.775 -5.455 -0.422 368 1HB LYS 50 HB2 LYS 50 -9.497 -6.252 2.399 369 2HB LYS 50 HB1 LYS 50 -9.764 -4.700 1.609 370 1HG LYS 50 HG2 LYS 50 -11.138 -6.208 -0.109 371 2HG LYS 50 HG1 LYS 50 -11.260 -7.277 1.284 372 1HD LYS 50 HD2 LYS 50 -11.945 -5.108 2.580 373 2HD LYS 50 HD1 LYS 50 -12.280 -4.458 0.979 374 1HE LYS 50 HE2 LYS 50 -13.517 -6.844 0.736 375 2HE LYS 50 HE1 LYS 50 -13.674 -6.628 2.475 376 1HZ LYS 50 HZ1 LYS 50 -14.369 -4.434 0.641 377 2HZ LYS 50 HZ3 LYS 50 -15.475 -5.690 0.928 378 3HZ LYS 50 HZ2 LYS 50 -14.925 -4.731 2.219 379 H THR 51 HN THR 51 -6.461 -6.482 -0.696 380 HA THR 51 HA THR 51 -4.866 -5.517 1.635 381 HB THR 51 HB THR 51 -4.569 -8.194 0.208 382 HG1 THR 51 HG1 THR 51 -5.485 -8.737 2.029 383 1HG2 THR 51 HG23 THR 51 -2.297 -7.068 0.590 384 2HG2 THR 51 HG22 THR 51 -2.707 -6.993 2.291 385 3HG2 THR 51 HG21 THR 51 -2.538 -8.548 1.501 386 H PHE 52 HN PHE 52 -3.703 -3.832 0.829 387 HA PHE 52 HA PHE 52 -3.092 -3.646 -2.016 388 1HB PHE 52 HB2 PHE 52 -3.063 -1.900 0.279 389 2HB PHE 52 HB1 PHE 52 -1.556 -1.769 -0.614 390 HD1 PHE 52 HD1 PHE 52 -1.590 -1.119 -3.040 391 HD2 PHE 52 HD2 PHE 52 -5.140 -1.216 -0.719 392 HE1 PHE 52 HE1 PHE 52 -2.773 0.176 -4.770 393 HE2 PHE 52 HE2 PHE 52 -6.274 0.185 -2.361 394 HZ PHE 52 HZ PHE 52 -5.078 0.929 -4.366 395 H THR 53 HN THR 53 -0.764 -3.255 -2.703 396 HA THR 53 HA THR 53 1.307 -4.355 -0.956 397 HB THR 53 HB THR 53 0.429 -5.899 -3.422 398 HG1 THR 53 HG1 THR 53 0.037 -7.426 -1.759 399 1HG2 THR 53 HG21 THR 53 2.945 -5.838 -1.850 400 2HG2 THR 53 HG23 THR 53 2.215 -7.436 -1.987 401 3HG2 THR 53 HG22 THR 53 2.650 -6.540 -3.439 402 H VAL 54 HN VAL 54 3.302 -3.656 -1.535 403 HA VAL 54 HA VAL 54 3.645 -2.481 -4.259 404 HB VAL 54 HB VAL 54 3.068 -0.686 -2.556 405 1HG1 VAL 54 HG11 VAL 54 4.363 -1.928 -0.732 406 2HG1 VAL 54 HG13 VAL 54 5.824 -1.271 -1.460 407 3HG1 VAL 54 HG12 VAL 54 4.602 -0.188 -0.803 408 1HG2 VAL 54 HG23 VAL 54 5.796 -0.686 -3.882 409 2HG2 VAL 54 HG22 VAL 54 4.299 -0.026 -4.521 410 3HG2 VAL 54 HG21 VAL 54 5.081 0.744 -3.150 411 H THR 55 HN THR 55 5.825 -2.504 -4.971 412 HA THR 55 HA THR 55 7.778 -3.892 -3.199 413 HB THR 55 HB THR 55 7.400 -4.765 -6.081 414 HG1 THR 55 HG1 THR 55 6.267 -5.831 -3.699 415 1HG2 THR 55 HG22 THR 55 9.204 -5.489 -3.977 416 2HG2 THR 55 HG21 THR 55 8.037 -6.801 -4.134 417 3HG2 THR 55 HG23 THR 55 8.992 -6.300 -5.520 418 H GLU 56 HN GLU 56 9.557 -2.653 -3.167 419 HA GLU 56 HA GLU 56 10.067 -0.536 -5.017 420 1HB GLU 56 HB2 GLU 56 11.093 -1.249 -2.590 421 2HB GLU 56 HB1 GLU 56 12.421 -1.688 -3.655 422 1HG GLU 56 HG2 GLU 56 11.041 1.019 -3.571 423 2HG GLU 56 HG1 GLU 56 12.641 0.661 -2.927 Start of MODEL 46 Raw file had 423 H/Q atoms Entry Start of MODEL 46 1 1H MET 1 HT1 MET 1 -13.225 -2.136 5.211 2 2H MET 1 HT3 MET 1 -14.015 -1.055 6.256 3 3H MET 1 HT2 MET 1 -14.881 -1.818 5.011 4 HA MET 1 HA MET 1 -13.793 -0.599 3.344 5 1HB MET 1 HB2 MET 1 -15.563 0.656 4.533 6 2HB MET 1 HB1 MET 1 -14.367 1.252 5.678 7 1HG MET 1 HG2 MET 1 -13.588 2.798 4.241 8 2HG MET 1 HG1 MET 1 -13.564 1.678 2.907 9 1HE MET 1 HE1 MET 1 -15.629 3.884 5.146 10 2HE MET 1 HE3 MET 1 -17.099 4.249 4.244 11 3HE MET 1 HE2 MET 1 -16.858 2.640 4.925 12 H THR 2 HN THR 2 -11.666 -1.803 4.682 13 HA THR 2 HA THR 2 -9.638 0.352 4.450 14 HB THR 2 HB THR 2 -9.734 -1.531 6.846 15 HG1 THR 2 HG1 THR 2 -10.768 0.102 7.769 16 1HG2 THR 2 HG21 THR 2 -7.544 -0.212 5.802 17 2HG2 THR 2 HG23 THR 2 -8.213 1.006 6.882 18 3HG2 THR 2 HG22 THR 2 -7.752 -0.571 7.512 19 OH TYR 3 OH TYR 3 -11.713 0.333 -0.853 20 H TYR 3 HN TYR 3 -7.888 -0.330 3.333 21 HA TYR 3 HA TYR 3 -7.698 -3.258 2.759 22 1HB TYR 3 HB2 TYR 3 -6.151 -1.136 1.291 23 2HB TYR 3 HB1 TYR 3 -6.643 -2.727 0.730 24 HD1 TYR 3 HD1 TYR 3 -8.040 0.580 1.781 25 HD2 TYR 3 HD2 TYR 3 -8.675 -2.989 -0.427 26 HE1 TYR 3 HE1 TYR 3 -10.105 1.520 0.849 27 HE2 TYR 3 HE2 TYR 3 -10.729 -2.048 -1.373 28 HH TYR 3 HH TYR 3 -11.687 0.216 -1.806 29 H LYS 4 HN LYS 4 -5.586 -4.254 2.750 30 HA LYS 4 HA LYS 4 -3.811 -3.068 4.844 31 1HB LYS 4 HB2 LYS 4 -4.965 -5.489 4.862 32 2HB LYS 4 HB1 LYS 4 -3.533 -5.899 3.933 33 1HG LYS 4 HG2 LYS 4 -2.312 -4.523 5.872 34 2HG LYS 4 HG1 LYS 4 -3.743 -5.003 6.778 35 1HD LYS 4 HD2 LYS 4 -1.880 -6.875 5.282 36 2HD LYS 4 HD1 LYS 4 -1.968 -6.692 7.030 37 1HE LYS 4 HE2 LYS 4 -3.415 -8.471 6.826 38 2HE LYS 4 HE1 LYS 4 -4.573 -7.182 6.524 39 1HZ LYS 4 HZ3 LYS 4 -3.262 -7.815 4.125 40 2HZ LYS 4 HZ2 LYS 4 -3.837 -9.252 4.824 41 3HZ LYS 4 HZ1 LYS 4 -4.908 -7.973 4.509 42 H LEU 5 HN LEU 5 -1.859 -2.336 4.230 43 HA LEU 5 HA LEU 5 -0.964 -2.898 1.471 44 1HB LEU 5 HB2 LEU 5 -0.813 -0.587 2.162 45 2HB LEU 5 HB1 LEU 5 0.011 -1.016 3.651 46 HG LEU 5 HG LEU 5 1.978 -1.819 2.244 47 1HD1 LEU 5 HD12 LEU 5 0.352 -0.511 0.040 48 2HD1 LEU 5 HD11 LEU 5 2.036 -0.991 -0.112 49 3HD1 LEU 5 HD13 LEU 5 0.792 -2.212 0.122 50 1HD2 LEU 5 HD23 LEU 5 1.751 0.496 3.271 51 2HD2 LEU 5 HD22 LEU 5 2.842 0.383 1.896 52 3HD2 LEU 5 HD21 LEU 5 1.231 1.050 1.686 53 H ILE 6 HN ILE 6 1.137 -3.737 1.013 54 HA ILE 6 HA ILE 6 2.554 -5.054 3.239 55 HB ILE 6 HB ILE 6 2.081 -6.386 0.573 56 1HG1 ILE 6 HG12 ILE 6 0.622 -6.705 3.215 57 2HG1 ILE 6 HG11 ILE 6 -0.076 -6.186 1.686 58 1HG2 ILE 6 HG21 ILE 6 3.985 -6.863 2.502 59 2HG2 ILE 6 HG23 ILE 6 2.697 -7.958 2.990 60 3HG2 ILE 6 HG22 ILE 6 3.385 -8.073 1.374 61 1HD1 ILE 6 HD2 ILE 6 1.108 -8.571 0.979 62 2HD1 ILE 6 HD1 ILE 6 0.572 -8.907 2.623 63 3HD1 ILE 6 HD3 ILE 6 -0.587 -8.389 1.406 64 H LEU 7 HN LEU 7 4.316 -3.755 3.238 65 HA LEU 7 HA LEU 7 5.540 -2.854 0.749 66 1HB LEU 7 HB2 LEU 7 6.415 -2.619 3.629 67 2HB LEU 7 HB1 LEU 7 7.258 -1.869 2.277 68 HG LEU 7 HG LEU 7 4.370 -1.354 2.243 69 1HD1 LEU 7 HD11 LEU 7 6.055 -0.359 4.566 70 2HD1 LEU 7 HD13 LEU 7 4.460 0.259 4.148 71 3HD1 LEU 7 HD12 LEU 7 4.644 -1.409 4.679 72 1HD2 LEU 7 HD23 LEU 7 6.136 -0.206 0.870 73 2HD2 LEU 7 HD22 LEU 7 5.157 0.918 1.808 74 3HD2 LEU 7 HD21 LEU 7 6.778 0.495 2.353 75 H ASN 8 HN ASN 8 6.811 -4.084 -0.455 76 HA ASN 8 HA ASN 8 8.358 -6.262 0.869 77 1HB ASN 8 HB2 ASN 8 6.930 -5.999 -1.641 78 2HB ASN 8 HB1 ASN 8 8.589 -6.478 -1.936 79 1HD2 ASN 8 HD22 ASN 8 6.099 -9.275 -0.874 80 2HD2 ASN 8 HD21 ASN 8 5.732 -7.853 -1.713 81 H GLY 9 HN GLY 9 9.210 -3.605 1.182 82 1HA GLY 9 HA2 GLY 9 11.062 -2.597 -0.659 83 2HA GLY 9 HA1 GLY 9 11.226 -2.397 1.078 84 H LYS 10 HN LYS 10 13.142 -3.018 -1.191 85 HA LYS 10 HA LYS 10 14.144 -5.661 -0.952 86 1HB LYS 10 HB2 LYS 10 14.875 -4.030 -2.682 87 2HB LYS 10 HB1 LYS 10 15.733 -3.128 -1.439 88 1HG LYS 10 HG2 LYS 10 17.151 -5.064 -0.957 89 2HG LYS 10 HG1 LYS 10 16.242 -6.047 -2.100 90 1HD LYS 10 HD2 LYS 10 17.238 -5.076 -3.927 91 2HD LYS 10 HD1 LYS 10 17.329 -3.493 -3.163 92 1HE LYS 10 HE2 LYS 10 19.559 -4.735 -3.537 93 2HE LYS 10 HE1 LYS 10 19.275 -4.076 -1.931 94 1HZ LYS 10 HZ1 LYS 10 18.411 -6.817 -2.497 95 2HZ LYS 10 HZ3 LYS 10 20.065 -6.521 -2.252 96 3HZ LYS 10 HZ2 LYS 10 18.943 -6.128 -1.038 97 H THR 11 HN THR 11 14.752 -2.765 0.950 98 HA THR 11 HA THR 11 16.244 -4.440 2.925 99 HB THR 11 HB THR 11 17.137 -1.980 3.529 100 HG1 THR 11 HG1 THR 11 17.233 -0.875 1.478 101 1HG2 THR 11 HG21 THR 11 18.531 -3.919 2.616 102 2HG2 THR 11 HG23 THR 11 18.077 -3.380 1.002 103 3HG2 THR 11 HG22 THR 11 19.034 -2.332 2.044 104 H LEU 12 HN LEU 12 13.328 -3.099 2.415 105 HA LEU 12 HA LEU 12 12.888 -2.782 5.340 106 1HB LEU 12 HB2 LEU 12 13.352 -0.514 4.222 107 2HB LEU 12 HB1 LEU 12 11.796 -0.724 3.426 108 HG LEU 12 HG LEU 12 10.965 -1.264 5.889 109 1HD1 LEU 12 HD11 LEU 12 13.561 -0.884 6.519 110 2HD1 LEU 12 HD13 LEU 12 13.007 0.782 6.641 111 3HD1 LEU 12 HD12 LEU 12 12.262 -0.468 7.630 112 1HD2 LEU 12 HD21 LEU 12 11.611 1.526 4.874 113 2HD2 LEU 12 HD23 LEU 12 10.149 0.607 4.527 114 3HD2 LEU 12 HD22 LEU 12 10.468 1.170 6.166 115 H LYS 13 HN LYS 13 11.599 -4.574 5.442 116 HA LYS 13 HA LYS 13 9.217 -4.674 3.652 117 1HB LYS 13 HB2 LYS 13 10.384 -6.793 5.467 118 2HB LYS 13 HB1 LYS 13 9.004 -7.015 4.401 119 1HG LYS 13 HG2 LYS 13 10.335 -7.277 2.585 120 2HG LYS 13 HG1 LYS 13 11.303 -5.868 3.003 121 1HD LYS 13 HD2 LYS 13 12.568 -7.201 4.644 122 2HD LYS 13 HD1 LYS 13 11.578 -8.610 4.280 123 1HE LYS 13 HE2 LYS 13 12.328 -8.333 1.845 124 2HE LYS 13 HE1 LYS 13 13.519 -7.185 2.444 125 1HZ LYS 13 HZ1 LYS 13 13.873 -9.266 4.096 126 2HZ LYS 13 HZ3 LYS 13 13.462 -10.058 2.651 127 3HZ LYS 13 HZ2 LYS 13 14.780 -8.988 2.688 128 H GLY 14 HN GLY 14 7.357 -3.920 4.460 129 1HA GLY 14 HA2 GLY 14 6.722 -4.432 7.307 130 2HA GLY 14 HA1 GLY 14 6.740 -2.750 6.788 131 H GLU 15 HN GLU 15 4.478 -2.770 7.439 132 HA GLU 15 HA GLU 15 2.703 -3.100 5.206 133 1HB GLU 15 HB2 GLU 15 1.223 -4.802 6.611 134 2HB GLU 15 HB1 GLU 15 2.489 -5.388 5.544 135 1HG GLU 15 HG2 GLU 15 2.438 -6.329 7.960 136 2HG GLU 15 HG1 GLU 15 3.991 -5.779 7.344 137 H THR 16 HN THR 16 0.537 -2.350 5.722 138 HA THR 16 HA THR 16 -0.203 -1.521 8.376 139 HB THR 16 HB THR 16 1.678 0.168 7.745 140 HG1 THR 16 HG1 THR 16 -0.665 0.283 8.969 141 1HG2 THR 16 HG21 THR 16 0.341 0.491 5.406 142 2HG2 THR 16 HG23 THR 16 -0.507 1.680 6.387 143 3HG2 THR 16 HG22 THR 16 1.234 1.806 6.160 144 H THR 17 HN THR 17 -2.299 -0.638 8.447 145 HA THR 17 HA THR 17 -3.798 -0.963 5.884 146 HB THR 17 HB THR 17 -5.682 -1.628 7.183 147 HG1 THR 17 HG1 THR 17 -5.752 0.077 8.585 148 1HG2 THR 17 HG22 THR 17 -3.295 -2.930 7.725 149 2HG2 THR 17 HG21 THR 17 -3.817 -2.439 9.331 150 3HG2 THR 17 HG23 THR 17 -4.862 -3.447 8.335 151 H THR 18 HN THR 18 -5.178 0.608 5.146 152 HA THR 18 HA THR 18 -5.299 3.165 6.687 153 HB THR 18 HB THR 18 -3.587 3.119 4.678 154 HG1 THR 18 HG1 THR 18 -5.725 4.938 5.130 155 1HG2 THR 18 HG22 THR 18 -5.603 2.206 3.173 156 2HG2 THR 18 HG21 THR 18 -6.055 3.907 3.147 157 3HG2 THR 18 HG23 THR 18 -4.488 3.403 2.523 158 H GLU 19 HN GLU 19 -7.197 4.339 6.442 159 HA GLU 19 HA GLU 19 -9.498 2.774 5.495 160 1HB GLU 19 HB2 GLU 19 -9.159 5.373 6.974 161 2HB GLU 19 HB1 GLU 19 -10.724 4.922 6.307 162 1HG GLU 19 HG2 GLU 19 -10.955 3.090 7.734 163 2HG GLU 19 HG1 GLU 19 -9.215 2.898 7.935 164 H ALA 20 HN ALA 20 -10.179 2.878 3.457 165 HA ALA 20 HA ALA 20 -10.072 5.497 2.041 166 1HB ALA 20 HB2 ALA 20 -8.506 3.119 1.409 167 2HB ALA 20 HB1 ALA 20 -9.498 3.638 0.050 168 3HB ALA 20 HB3 ALA 20 -8.352 4.754 0.780 169 H VAL 21 HN VAL 21 -11.842 5.892 0.804 170 HA VAL 21 HA VAL 21 -14.036 3.938 0.942 171 HB VAL 21 HB VAL 21 -14.662 6.215 1.340 172 1HG1 VAL 21 HG12 VAL 21 -12.829 6.679 -0.946 173 2HG1 VAL 21 HG11 VAL 21 -14.258 7.707 -0.909 174 3HG1 VAL 21 HG13 VAL 21 -13.148 7.692 0.458 175 1HG2 VAL 21 HG23 VAL 21 -16.084 4.743 -0.258 176 2HG2 VAL 21 HG22 VAL 21 -16.411 6.473 -0.245 177 3HG2 VAL 21 HG21 VAL 21 -15.453 5.769 -1.543 178 H ASP 22 HN ASP 22 -11.673 5.001 -1.329 179 HA ASP 22 HA ASP 22 -12.812 3.119 -3.333 180 1HB ASP 22 HB2 ASP 22 -12.609 4.695 -5.137 181 2HB ASP 22 HB1 ASP 22 -13.512 5.503 -3.858 182 H ALA 23 HN ALA 23 -11.197 2.680 -5.098 183 HA ALA 23 HA ALA 23 -8.660 1.986 -3.891 184 1HB ALA 23 HB1 ALA 23 -9.829 1.750 -6.651 185 2HB ALA 23 HB3 ALA 23 -8.127 1.393 -6.375 186 3HB ALA 23 HB2 ALA 23 -9.368 0.470 -5.534 187 H ALA 24 HN ALA 24 -9.773 4.562 -5.991 188 HA ALA 24 HA ALA 24 -7.269 5.522 -6.917 189 1HB ALA 24 HB2 ALA 24 -9.877 6.312 -7.209 190 2HB ALA 24 HB1 ALA 24 -9.224 7.611 -6.216 191 3HB ALA 24 HB3 ALA 24 -8.489 7.238 -7.772 192 H THR 25 HN THR 25 -9.147 6.739 -4.141 193 HA THR 25 HA THR 25 -7.031 8.396 -3.161 194 HB THR 25 HB THR 25 -9.498 8.565 -2.484 195 HG1 THR 25 HG1 THR 25 -8.711 9.550 -0.748 196 1HG2 THR 25 HG22 THR 25 -9.192 5.927 -1.689 197 2HG2 THR 25 HG21 THR 25 -8.931 6.801 -0.183 198 3HG2 THR 25 HG23 THR 25 -10.435 7.008 -1.072 199 H ALA 26 HN ALA 26 -7.627 5.005 -2.920 200 HA ALA 26 HA ALA 26 -5.972 4.562 -0.572 201 1HB ALA 26 HB2 ALA 26 -7.755 2.980 -1.376 202 2HB ALA 26 HB1 ALA 26 -6.704 2.571 -2.728 203 3HB ALA 26 HB3 ALA 26 -6.198 2.211 -1.079 204 H GLU 27 HN GLU 27 -5.466 4.532 -4.051 205 HA GLU 27 HA GLU 27 -2.838 3.425 -4.050 206 1HB GLU 27 HB2 GLU 27 -4.322 5.235 -5.948 207 2HB GLU 27 HB1 GLU 27 -2.666 4.743 -6.259 208 1HG GLU 27 HG2 GLU 27 -3.376 2.350 -6.055 209 2HG GLU 27 HG1 GLU 27 -5.040 2.895 -5.865 210 H LYS 28 HN LYS 28 -3.934 6.818 -3.974 211 HA LYS 28 HA LYS 28 -1.179 7.780 -3.795 212 1HB LYS 28 HB2 LYS 28 -2.243 10.018 -3.498 213 2HB LYS 28 HB1 LYS 28 -2.803 9.172 -4.933 214 1HG LYS 28 HG2 LYS 28 -4.930 9.134 -4.168 215 2HG LYS 28 HG1 LYS 28 -4.423 8.480 -2.617 216 1HD LYS 28 HD2 LYS 28 -3.780 10.745 -1.864 217 2HD LYS 28 HD1 LYS 28 -4.264 11.403 -3.422 218 1HE LYS 28 HE2 LYS 28 -6.574 10.693 -3.046 219 2HE LYS 28 HE1 LYS 28 -6.116 9.916 -1.535 220 1HZ LYS 28 HZ3 LYS 28 -5.836 12.814 -2.098 221 2HZ LYS 28 HZ2 LYS 28 -7.106 12.113 -1.214 222 3HZ LYS 28 HZ1 LYS 28 -5.516 12.035 -0.623 223 H VAL 29 HN VAL 29 -3.690 6.940 -1.548 224 HA VAL 29 HA VAL 29 -2.653 8.414 0.704 225 HB VAL 29 HB VAL 29 -4.466 6.030 0.422 226 1HG1 VAL 29 HG13 VAL 29 -3.188 7.159 2.910 227 2HG1 VAL 29 HG12 VAL 29 -4.781 6.414 2.981 228 3HG1 VAL 29 HG11 VAL 29 -3.391 5.472 2.452 229 1HG2 VAL 29 HG21 VAL 29 -5.008 8.625 0.120 230 2HG2 VAL 29 HG23 VAL 29 -6.152 7.551 0.920 231 3HG2 VAL 29 HG22 VAL 29 -5.086 8.573 1.879 232 H PHE 30 HN PHE 30 -2.434 4.938 -0.077 233 HA PHE 30 HA PHE 30 -0.486 4.358 1.921 234 1HB PHE 30 HB2 PHE 30 -1.342 3.020 -0.625 235 2HB PHE 30 HB1 PHE 30 0.098 2.442 0.199 236 HD1 PHE 30 HD1 PHE 30 -0.310 2.294 2.932 237 HD2 PHE 30 HD2 PHE 30 -3.309 1.888 -0.072 238 HE1 PHE 30 HE1 PHE 30 -1.739 1.061 4.506 239 HE2 PHE 30 HE2 PHE 30 -4.702 0.638 1.509 240 HZ PHE 30 HZ PHE 30 -3.914 0.192 3.787 241 H LYS 31 HN LYS 31 -0.160 5.303 -1.479 242 HA LYS 31 HA LYS 31 2.657 5.070 -1.699 243 1HB LYS 31 HB2 LYS 31 1.079 5.576 -3.584 244 2HB LYS 31 HB1 LYS 31 0.930 7.215 -2.956 245 1HG LYS 31 HG2 LYS 31 3.390 7.512 -3.182 246 2HG LYS 31 HG1 LYS 31 3.515 5.889 -3.850 247 1HD LYS 31 HD2 LYS 31 1.582 7.813 -5.114 248 2HD LYS 31 HD1 LYS 31 3.297 8.001 -5.455 249 1HE LYS 31 HE2 LYS 31 3.436 5.985 -6.584 250 2HE LYS 31 HE1 LYS 31 2.153 5.244 -5.638 251 1HZ LYS 31 HZ2 LYS 31 0.595 6.787 -6.806 252 2HZ LYS 31 HZ1 LYS 31 1.876 7.193 -7.846 253 3HZ LYS 31 HZ3 LYS 31 1.305 5.594 -7.786 254 H GLN 32 HN GLN 32 0.650 7.503 -0.214 255 HA GLN 32 HA GLN 32 2.686 9.493 0.151 256 1HB GLN 32 HB2 GLN 32 0.138 9.740 0.441 257 2HB GLN 32 HB1 GLN 32 0.360 9.015 2.028 258 1HG GLN 32 HG2 GLN 32 1.888 11.469 1.086 259 2HG GLN 32 HG1 GLN 32 0.403 11.551 2.028 260 1HE2 GLN 32 HE22 GLN 32 2.045 9.919 4.901 261 2HE2 GLN 32 HE21 GLN 32 0.641 9.692 3.975 262 OH TYR 33 OH TYR 33 5.325 2.710 8.155 263 H TYR 33 HN TYR 33 1.726 6.634 1.924 264 HA TYR 33 HA TYR 33 3.328 7.172 4.270 265 1HB TYR 33 HB2 TYR 33 1.464 5.576 4.344 266 2HB TYR 33 HB1 TYR 33 2.281 4.552 3.165 267 HD1 TYR 33 HD1 TYR 33 4.480 3.487 3.778 268 HD2 TYR 33 HD2 TYR 33 2.096 5.511 6.660 269 HE1 TYR 33 HE1 TYR 33 5.730 2.393 5.578 270 HE2 TYR 33 HE2 TYR 33 3.346 4.414 8.463 271 HH TYR 33 HH TYR 33 5.355 1.770 7.966 272 H ALA 34 HN ALA 34 3.788 4.822 1.638 273 HA ALA 34 HA ALA 34 6.391 3.998 2.236 274 1HB ALA 34 HB1 ALA 34 4.913 4.348 -0.355 275 2HB ALA 34 HB3 ALA 34 6.604 3.862 -0.373 276 3HB ALA 34 HB2 ALA 34 5.411 2.860 0.444 277 H ASN 35 HN ASN 35 5.304 7.006 0.860 278 HA ASN 35 HA ASN 35 7.768 7.963 -0.196 279 1HB ASN 35 HB2 ASN 35 5.358 8.975 -0.311 280 2HB ASN 35 HB1 ASN 35 5.816 9.789 1.182 281 1HD2 ASN 35 HD22 ASN 35 7.407 10.998 -2.361 282 2HD2 ASN 35 HD21 ASN 35 6.368 9.659 -2.280 283 H ASP 36 HN ASP 36 6.446 8.000 3.065 284 HA ASP 36 HA ASP 36 8.725 9.526 4.112 285 1HB ASP 36 HB2 ASP 36 6.231 8.333 5.280 286 2HB ASP 36 HB1 ASP 36 7.553 8.790 6.351 287 H ASN 37 HN ASN 37 9.004 6.818 2.808 288 HA ASN 37 HA ASN 37 10.676 5.617 4.961 289 1HB ASN 37 HB2 ASN 37 8.544 4.222 3.344 290 2HB ASN 37 HB1 ASN 37 9.867 3.334 4.097 291 1HD2 ASN 37 HD22 ASN 37 6.884 4.895 6.406 292 2HD2 ASN 37 HD21 ASN 37 6.980 5.270 4.754 293 H GLY 38 HN GLY 38 9.925 5.966 1.559 294 1HA GLY 38 HA2 GLY 38 11.661 6.248 -0.108 295 2HA GLY 38 HA1 GLY 38 12.770 5.369 0.941 296 H VAL 39 HN VAL 39 9.564 4.711 -0.475 297 HA VAL 39 HA VAL 39 10.710 2.289 -1.769 298 HB VAL 39 HB VAL 39 8.313 2.320 0.080 299 1HG1 VAL 39 HG12 VAL 39 9.243 0.364 -2.014 300 2HG1 VAL 39 HG11 VAL 39 8.416 -0.222 -0.574 301 3HG1 VAL 39 HG13 VAL 39 7.606 0.904 -1.658 302 1HG2 VAL 39 HG22 VAL 39 10.946 0.802 0.101 303 2HG2 VAL 39 HG21 VAL 39 10.501 2.106 1.196 304 3HG2 VAL 39 HG23 VAL 39 9.640 0.571 1.260 305 H ASP 40 HN ASP 40 10.427 3.213 -3.798 306 HA ASP 40 HA ASP 40 7.584 3.438 -4.678 307 1HB ASP 40 HB2 ASP 40 9.775 5.469 -4.989 308 2HB ASP 40 HB1 ASP 40 8.503 5.360 -6.203 309 H GLY 41 HN GLY 41 7.310 1.932 -6.192 310 1HA GLY 41 HA2 GLY 41 8.998 1.857 -8.551 311 2HA GLY 41 HA1 GLY 41 9.263 0.454 -7.520 312 H GLU 42 HN GLU 42 7.801 -1.185 -7.554 313 HA GLU 42 HA GLU 42 5.598 -0.946 -9.532 314 1HB GLU 42 HB2 GLU 42 6.696 -3.369 -8.100 315 2HB GLU 42 HB1 GLU 42 5.512 -3.397 -9.401 316 1HG GLU 42 HG2 GLU 42 7.109 -2.500 -10.976 317 2HG GLU 42 HG1 GLU 42 8.268 -2.162 -9.693 318 CH2 TRP 43 CH2 TRP 43 2.413 2.420 -2.313 319 H TRP 43 HN TRP 43 3.480 -1.104 -8.979 320 HA TRP 43 HA TRP 43 2.853 -1.519 -6.077 321 1HB TRP 43 HB2 TRP 43 1.896 0.563 -8.016 322 2HB TRP 43 HB1 TRP 43 0.915 0.123 -6.629 323 HD1 TRP 43 HD1 TRP 43 4.524 1.246 -7.440 324 HE1 TRP 43 HE1 TRP 43 5.315 2.597 -5.437 325 HE3 TRP 43 HE3 TRP 43 0.589 0.606 -4.466 326 HZ2 TRP 43 HZ2 TRP 43 4.340 3.247 -2.708 327 HZ3 TRP 43 HZ3 TRP 43 0.499 1.489 -2.192 328 HH2 TRP 43 HH2 TRP 43 2.374 2.798 -1.304 329 H THR 44 HN THR 44 1.302 -2.959 -5.635 330 HA THR 44 HA THR 44 -0.395 -3.934 -7.908 331 HB THR 44 HB THR 44 -0.279 -6.192 -6.574 332 HG1 THR 44 HG1 THR 44 0.809 -4.801 -4.873 333 1HG2 THR 44 HG23 THR 44 1.706 -4.929 -8.373 334 2HG2 THR 44 HG22 THR 44 2.368 -6.219 -7.373 335 3HG2 THR 44 HG21 THR 44 1.013 -6.547 -8.450 336 OH TYR 45 OH TYR 45 -8.943 -1.196 -3.207 337 H TYR 45 HN TYR 45 -2.479 -4.584 -7.426 338 HA TYR 45 HA TYR 45 -3.538 -3.757 -4.742 339 1HB TYR 45 HB2 TYR 45 -4.085 -2.288 -6.799 340 2HB TYR 45 HB1 TYR 45 -5.080 -3.636 -7.352 341 HD1 TYR 45 HD1 TYR 45 -6.614 -4.575 -5.070 342 HD2 TYR 45 HD2 TYR 45 -5.382 -0.597 -5.918 343 HE1 TYR 45 HE1 TYR 45 -8.390 -3.721 -3.640 344 HE2 TYR 45 HE2 TYR 45 -7.207 0.255 -4.535 345 HH TYR 45 HH TYR 45 -9.280 -1.923 -2.680 346 H ASP 46 HN ASP 46 -4.559 -5.356 -3.674 347 HA ASP 46 HA ASP 46 -5.308 -7.819 -5.202 348 1HB ASP 46 HB2 ASP 46 -3.587 -7.817 -3.222 349 2HB ASP 46 HB1 ASP 46 -5.027 -7.749 -2.214 350 H ASP 47 HN ASP 47 -7.378 -7.053 -5.812 351 HA ASP 47 HA ASP 47 -9.276 -6.104 -3.822 352 1HB ASP 47 HB2 ASP 47 -9.645 -5.344 -6.049 353 2HB ASP 47 HB1 ASP 47 -9.540 -6.978 -6.702 354 H ALA 48 HN ALA 48 -8.026 -9.104 -4.497 355 HA ALA 48 HA ALA 48 -10.349 -10.777 -4.261 356 1HB ALA 48 HB2 ALA 48 -7.806 -11.291 -4.903 357 2HB ALA 48 HB1 ALA 48 -7.725 -11.715 -3.195 358 3HB ALA 48 HB3 ALA 48 -8.863 -12.542 -4.255 359 H THR 49 HN THR 49 -8.257 -9.213 -1.926 360 HA THR 49 HA THR 49 -10.189 -9.965 0.202 361 HB THR 49 HB THR 49 -8.215 -10.541 1.730 362 HG1 THR 49 HG1 THR 49 -6.269 -10.732 0.687 363 1HG2 THR 49 HG22 THR 49 -9.566 -12.235 0.113 364 2HG2 THR 49 HG21 THR 49 -7.985 -12.338 -0.656 365 3HG2 THR 49 HG23 THR 49 -8.167 -12.771 1.040 366 H LYS 50 HN LYS 50 -9.234 -7.511 -1.324 367 HA LYS 50 HA LYS 50 -8.808 -5.260 -0.842 368 1HB LYS 50 HB2 LYS 50 -10.132 -6.268 1.663 369 2HB LYS 50 HB1 LYS 50 -9.558 -4.607 1.569 370 1HG LYS 50 HG2 LYS 50 -11.945 -4.828 0.869 371 2HG LYS 50 HG1 LYS 50 -10.923 -4.212 -0.424 372 1HD LYS 50 HD2 LYS 50 -10.895 -6.305 -1.551 373 2HD LYS 50 HD1 LYS 50 -11.477 -7.169 -0.132 374 1HE LYS 50 HE2 LYS 50 -13.658 -6.634 -0.546 375 2HE LYS 50 HE1 LYS 50 -13.258 -5.003 -1.071 376 1HZ LYS 50 HZ1 LYS 50 -12.240 -6.337 -3.081 377 2HZ LYS 50 HZ3 LYS 50 -13.418 -7.470 -2.619 378 3HZ LYS 50 HZ2 LYS 50 -13.878 -5.890 -3.039 379 H THR 51 HN THR 51 -6.532 -6.298 -0.969 380 HA THR 51 HA THR 51 -5.035 -5.386 1.452 381 HB THR 51 HB THR 51 -4.894 -8.095 0.097 382 HG1 THR 51 HG1 THR 51 -4.586 -7.309 2.792 383 1HG2 THR 51 HG21 THR 51 -2.659 -6.537 1.325 384 2HG2 THR 51 HG23 THR 51 -2.859 -8.192 1.871 385 3HG2 THR 51 HG22 THR 51 -2.580 -7.852 0.167 386 H PHE 52 HN PHE 52 -3.749 -3.745 0.734 387 HA PHE 52 HA PHE 52 -3.035 -3.537 -2.088 388 1HB PHE 52 HB2 PHE 52 -3.050 -1.811 0.231 389 2HB PHE 52 HB1 PHE 52 -1.533 -1.679 -0.648 390 HD1 PHE 52 HD1 PHE 52 -1.541 -0.991 -3.061 391 HD2 PHE 52 HD2 PHE 52 -5.122 -1.125 -0.789 392 HE1 PHE 52 HE1 PHE 52 -2.706 0.336 -4.784 393 HE2 PHE 52 HE2 PHE 52 -6.235 0.296 -2.425 394 HZ PHE 52 HZ PHE 52 -5.015 1.070 -4.403 395 H THR 53 HN THR 53 -0.733 -3.276 -2.752 396 HA THR 53 HA THR 53 1.300 -4.347 -0.934 397 HB THR 53 HB THR 53 0.440 -5.925 -3.388 398 HG1 THR 53 HG1 THR 53 -0.754 -6.682 -1.793 399 1HG2 THR 53 HG23 THR 53 2.892 -5.952 -1.666 400 2HG2 THR 53 HG22 THR 53 2.172 -7.511 -2.054 401 3HG2 THR 53 HG21 THR 53 2.718 -6.447 -3.346 402 H VAL 54 HN VAL 54 3.402 -3.948 -1.641 403 HA VAL 54 HA VAL 54 3.784 -2.778 -4.330 404 HB VAL 54 HB VAL 54 3.121 -0.877 -2.828 405 1HG1 VAL 54 HG13 VAL 54 4.100 -1.898 -0.768 406 2HG1 VAL 54 HG12 VAL 54 5.706 -1.521 -1.384 407 3HG1 VAL 54 HG11 VAL 54 4.578 -0.224 -1.009 408 1HG2 VAL 54 HG22 VAL 54 5.956 -0.949 -3.893 409 2HG2 VAL 54 HG21 VAL 54 4.533 -0.270 -4.662 410 3HG2 VAL 54 HG23 VAL 54 5.227 0.508 -3.250 411 H THR 55 HN THR 55 6.001 -2.766 -4.944 412 HA THR 55 HA THR 55 7.925 -4.005 -3.048 413 HB THR 55 HB THR 55 7.335 -5.191 -5.793 414 HG1 THR 55 HG1 THR 55 7.086 -6.569 -3.407 415 1HG2 THR 55 HG21 THR 55 9.525 -5.501 -3.838 416 2HG2 THR 55 HG23 THR 55 8.698 -7.014 -4.200 417 3HG2 THR 55 HG22 THR 55 9.432 -6.079 -5.496 418 H GLU 56 HN GLU 56 9.616 -2.656 -3.083 419 HA GLU 56 HA GLU 56 10.163 -0.764 -5.135 420 1HB GLU 56 HB2 GLU 56 11.199 -1.345 -2.621 421 2HB GLU 56 HB1 GLU 56 12.554 -1.639 -3.702 422 1HG GLU 56 HG2 GLU 56 10.867 0.889 -3.638 423 2HG GLU 56 HG1 GLU 56 12.497 0.730 -2.988 Start of MODEL 47 Raw file had 423 H/Q atoms Entry Start of MODEL 47 1 1H MET 1 HT3 MET 1 -12.930 1.476 2.076 2 2H MET 1 HT2 MET 1 -13.646 0.146 1.298 3 3H MET 1 HT1 MET 1 -14.555 1.087 2.381 4 HA MET 1 HA MET 1 -13.746 0.077 4.188 5 1HB MET 1 HB2 MET 1 -13.001 -1.890 2.009 6 2HB MET 1 HB1 MET 1 -13.013 -2.285 3.724 7 1HG MET 1 HG2 MET 1 -15.122 -2.939 2.678 8 2HG MET 1 HG1 MET 1 -15.373 -1.695 3.873 9 1HE MET 1 HE3 MET 1 -17.769 -1.433 3.106 10 2HE MET 1 HE2 MET 1 -16.946 0.041 3.620 11 3HE MET 1 HE1 MET 1 -18.016 0.070 2.219 12 H THR 2 HN THR 2 -11.790 -1.192 5.150 13 HA THR 2 HA THR 2 -9.401 0.461 4.566 14 HB THR 2 HB THR 2 -9.756 -1.505 6.857 15 HG1 THR 2 HG1 THR 2 -11.122 -0.065 7.590 16 1HG2 THR 2 HG21 THR 2 -7.533 -0.070 6.103 17 2HG2 THR 2 HG23 THR 2 -8.359 1.096 7.131 18 3HG2 THR 2 HG22 THR 2 -7.905 -0.478 7.775 19 OH TYR 3 OH TYR 3 -11.473 0.381 -1.026 20 H TYR 3 HN TYR 3 -7.861 -0.318 3.276 21 HA TYR 3 HA TYR 3 -7.740 -3.255 2.826 22 1HB TYR 3 HB2 TYR 3 -6.052 -1.223 1.375 23 2HB TYR 3 HB1 TYR 3 -6.572 -2.810 0.828 24 HD1 TYR 3 HD1 TYR 3 -7.870 0.581 1.709 25 HD2 TYR 3 HD2 TYR 3 -8.603 -3.053 -0.365 26 HE1 TYR 3 HE1 TYR 3 -9.861 1.570 0.673 27 HE2 TYR 3 HE2 TYR 3 -10.587 -2.063 -1.407 28 HH TYR 3 HH TYR 3 -12.243 -0.102 -0.721 29 H LYS 4 HN LYS 4 -5.391 -4.058 2.489 30 HA LYS 4 HA LYS 4 -3.733 -3.067 4.777 31 1HB LYS 4 HB2 LYS 4 -4.819 -5.303 5.131 32 2HB LYS 4 HB1 LYS 4 -3.919 -5.905 3.757 33 1HG LYS 4 HG2 LYS 4 -1.821 -5.586 4.837 34 2HG LYS 4 HG1 LYS 4 -2.528 -4.573 6.087 35 1HD LYS 4 HD2 LYS 4 -3.463 -6.385 7.219 36 2HD LYS 4 HD1 LYS 4 -3.534 -7.382 5.770 37 1HE LYS 4 HE2 LYS 4 -1.093 -7.632 5.788 38 2HE LYS 4 HE1 LYS 4 -0.971 -6.559 7.176 39 1HZ LYS 4 HZ2 LYS 4 -2.395 -9.160 7.140 40 2HZ LYS 4 HZ1 LYS 4 -0.862 -8.884 7.815 41 3HZ LYS 4 HZ3 LYS 4 -2.232 -8.132 8.480 42 H LEU 5 HN LEU 5 -1.945 -2.117 4.014 43 HA LEU 5 HA LEU 5 -0.937 -2.791 1.358 44 1HB LEU 5 HB2 LEU 5 -0.816 -0.476 2.016 45 2HB LEU 5 HB1 LEU 5 -0.004 -0.875 3.522 46 HG LEU 5 HG LEU 5 1.981 -1.687 2.150 47 1HD1 LEU 5 HD12 LEU 5 0.363 -0.451 -0.101 48 2HD1 LEU 5 HD11 LEU 5 2.055 -0.909 -0.224 49 3HD1 LEU 5 HD13 LEU 5 0.831 -2.142 0.026 50 1HD2 LEU 5 HD21 LEU 5 1.725 0.652 3.116 51 2HD2 LEU 5 HD23 LEU 5 2.829 0.515 1.751 52 3HD2 LEU 5 HD22 LEU 5 1.209 1.165 1.513 53 H ILE 6 HN ILE 6 1.091 -3.691 0.910 54 HA ILE 6 HA ILE 6 2.495 -5.008 3.150 55 HB ILE 6 HB ILE 6 1.599 -6.167 0.531 56 1HG1 ILE 6 HG12 ILE 6 1.665 -7.249 3.371 57 2HG1 ILE 6 HG11 ILE 6 0.272 -6.452 2.658 58 1HG2 ILE 6 HG23 ILE 6 4.054 -6.835 2.147 59 2HG2 ILE 6 HG22 ILE 6 3.211 -8.114 1.287 60 3HG2 ILE 6 HG21 ILE 6 3.874 -6.753 0.399 61 1HD1 ILE 6 HD1 ILE 6 0.787 -8.324 0.739 62 2HD1 ILE 6 HD3 ILE 6 1.333 -9.183 2.174 63 3HD1 ILE 6 HD2 ILE 6 -0.318 -8.590 2.080 64 H LEU 7 HN LEU 7 4.271 -3.761 3.273 65 HA LEU 7 HA LEU 7 5.543 -2.666 0.887 66 1HB LEU 7 HB2 LEU 7 6.178 -2.610 3.826 67 2HB LEU 7 HB1 LEU 7 7.313 -1.982 2.637 68 HG LEU 7 HG LEU 7 4.492 -1.103 2.319 69 1HD1 LEU 7 HD13 LEU 7 6.248 -0.283 4.654 70 2HD1 LEU 7 HD12 LEU 7 4.891 0.684 4.089 71 3HD1 LEU 7 HD11 LEU 7 4.614 -0.934 4.723 72 1HD2 LEU 7 HD22 LEU 7 6.645 -0.399 1.024 73 2HD2 LEU 7 HD21 LEU 7 5.528 0.868 1.521 74 3HD2 LEU 7 HD23 LEU 7 6.998 0.577 2.446 75 H ASN 8 HN ASN 8 6.672 -3.969 -0.417 76 HA ASN 8 HA ASN 8 8.320 -6.126 0.824 77 1HB ASN 8 HB2 ASN 8 6.736 -5.890 -1.607 78 2HB ASN 8 HB1 ASN 8 8.363 -6.425 -1.963 79 1HD2 ASN 8 HD22 ASN 8 5.869 -9.126 -0.722 80 2HD2 ASN 8 HD21 ASN 8 5.510 -7.733 -1.611 81 H GLY 9 HN GLY 9 9.222 -3.527 1.108 82 1HA GLY 9 HA2 GLY 9 10.951 -2.589 -0.940 83 2HA GLY 9 HA1 GLY 9 11.134 -2.209 0.764 84 H LYS 10 HN LYS 10 13.095 -2.921 -1.382 85 HA LYS 10 HA LYS 10 14.146 -5.544 -0.814 86 1HB LYS 10 HB2 LYS 10 14.804 -3.330 -2.510 87 2HB LYS 10 HB1 LYS 10 16.255 -3.830 -1.646 88 1HG LYS 10 HG2 LYS 10 15.900 -6.158 -2.355 89 2HG LYS 10 HG1 LYS 10 14.407 -5.699 -3.167 90 1HD LYS 10 HD2 LYS 10 15.647 -4.232 -4.688 91 2HD LYS 10 HD1 LYS 10 17.147 -4.579 -3.837 92 1HE LYS 10 HE2 LYS 10 16.784 -7.026 -4.386 93 2HE LYS 10 HE1 LYS 10 15.444 -6.530 -5.412 94 1HZ LYS 10 HZ1 LYS 10 17.140 -5.001 -6.500 95 2HZ LYS 10 HZ3 LYS 10 18.317 -5.954 -5.731 96 3HZ LYS 10 HZ2 LYS 10 17.243 -6.661 -6.840 97 H THR 11 HN THR 11 14.880 -2.313 0.401 98 HA THR 11 HA THR 11 16.809 -3.469 2.331 99 HB THR 11 HB THR 11 16.934 -0.839 2.876 100 HG1 THR 11 HG1 THR 11 15.048 -0.756 1.338 101 1HG2 THR 11 HG23 THR 11 18.058 -2.399 0.557 102 2HG2 THR 11 HG22 THR 11 18.322 -0.659 0.614 103 3HG2 THR 11 HG21 THR 11 18.917 -1.684 1.917 104 H LEU 12 HN LEU 12 13.564 -3.026 2.181 105 HA LEU 12 HA LEU 12 13.308 -3.183 5.096 106 1HB LEU 12 HB2 LEU 12 13.513 -0.686 4.452 107 2HB LEU 12 HB1 LEU 12 11.896 -0.871 3.782 108 HG LEU 12 HG LEU 12 11.558 -2.067 6.209 109 1HD1 LEU 12 HD12 LEU 12 13.964 -1.381 6.749 110 2HD1 LEU 12 HD11 LEU 12 13.397 0.285 6.735 111 3HD1 LEU 12 HD13 LEU 12 12.748 -0.854 7.909 112 1HD2 LEU 12 HD23 LEU 12 11.362 0.901 5.582 113 2HD2 LEU 12 HD22 LEU 12 10.131 -0.309 5.229 114 3HD2 LEU 12 HD21 LEU 12 10.524 0.088 6.900 115 H LYS 13 HN LYS 13 11.256 -3.875 5.767 116 HA LYS 13 HA LYS 13 9.208 -4.310 3.663 117 1HB LYS 13 HB2 LYS 13 10.217 -6.522 5.469 118 2HB LYS 13 HB1 LYS 13 8.946 -6.667 4.264 119 1HG LYS 13 HG2 LYS 13 10.611 -6.001 2.505 120 2HG LYS 13 HG1 LYS 13 11.866 -6.027 3.739 121 1HD LYS 13 HD2 LYS 13 11.233 -8.422 4.229 122 2HD LYS 13 HD1 LYS 13 10.151 -8.366 2.842 123 1HE LYS 13 HE2 LYS 13 11.899 -8.856 1.502 124 2HE LYS 13 HE1 LYS 13 12.644 -7.330 1.959 125 1HZ LYS 13 HZ2 LYS 13 13.245 -8.786 4.079 126 2HZ LYS 13 HZ1 LYS 13 13.184 -10.021 2.914 127 3HZ LYS 13 HZ3 LYS 13 14.238 -8.706 2.704 128 H GLY 14 HN GLY 14 7.178 -3.989 4.421 129 1HA GLY 14 HA2 GLY 14 6.591 -4.351 7.281 130 2HA GLY 14 HA1 GLY 14 6.509 -2.687 6.715 131 H GLU 15 HN GLU 15 4.241 -2.919 7.417 132 HA GLU 15 HA GLU 15 2.482 -3.306 5.191 133 1HB GLU 15 HB2 GLU 15 1.227 -5.258 5.970 134 2HB GLU 15 HB1 GLU 15 2.910 -5.703 5.728 135 1HG GLU 15 HG2 GLU 15 3.137 -5.005 8.276 136 2HG GLU 15 HG1 GLU 15 1.404 -5.323 8.297 137 H THR 16 HN THR 16 0.796 -1.987 5.555 138 HA THR 16 HA THR 16 -0.213 -1.654 8.324 139 HB THR 16 HB THR 16 1.361 0.174 8.269 140 HG1 THR 16 HG1 THR 16 -1.195 1.028 7.342 141 1HG2 THR 16 HG21 THR 16 0.357 0.445 5.439 142 2HG2 THR 16 HG23 THR 16 0.918 1.883 6.287 143 3HG2 THR 16 HG22 THR 16 2.014 0.530 6.027 144 H THR 17 HN THR 17 -2.346 -0.925 8.438 145 HA THR 17 HA THR 17 -3.810 -1.023 5.839 146 HB THR 17 HB THR 17 -5.781 -1.722 7.129 147 HG1 THR 17 HG1 THR 17 -4.488 -1.876 9.512 148 1HG2 THR 17 HG21 THR 17 -3.193 -3.132 7.803 149 2HG2 THR 17 HG23 THR 17 -4.672 -3.609 8.620 150 3HG2 THR 17 HG22 THR 17 -4.558 -3.729 6.870 151 H THR 18 HN THR 18 -5.102 0.616 5.204 152 HA THR 18 HA THR 18 -5.485 2.902 7.093 153 HB THR 18 HB THR 18 -3.574 3.216 5.298 154 HG1 THR 18 HG1 THR 18 -4.441 5.405 5.119 155 1HG2 THR 18 HG23 THR 18 -5.365 2.492 3.460 156 2HG2 THR 18 HG22 THR 18 -5.919 4.151 3.656 157 3HG2 THR 18 HG21 THR 18 -4.269 3.831 3.131 158 H GLU 19 HN GLU 19 -7.357 4.133 6.733 159 HA GLU 19 HA GLU 19 -9.508 2.642 5.403 160 1HB GLU 19 HB2 GLU 19 -9.551 4.030 7.661 161 2HB GLU 19 HB1 GLU 19 -9.923 5.361 6.571 162 1HG GLU 19 HG2 GLU 19 -11.436 2.732 6.745 163 2HG GLU 19 HG1 GLU 19 -12.007 4.293 7.327 164 H ALA 20 HN ALA 20 -10.276 3.050 3.432 165 HA ALA 20 HA ALA 20 -9.792 5.720 2.210 166 1HB ALA 20 HB1 ALA 20 -8.468 3.268 1.479 167 2HB ALA 20 HB3 ALA 20 -9.471 3.822 0.141 168 3HB ALA 20 HB2 ALA 20 -8.239 4.881 0.816 169 H VAL 21 HN VAL 21 -11.420 6.406 0.884 170 HA VAL 21 HA VAL 21 -13.959 5.033 1.077 171 HB VAL 21 HB VAL 21 -13.508 7.570 0.854 172 1HG1 VAL 21 HG11 VAL 21 -12.146 7.083 -1.313 173 2HG1 VAL 21 HG13 VAL 21 -13.719 6.955 -2.094 174 3HG1 VAL 21 HG12 VAL 21 -13.239 8.462 -1.320 175 1HG2 VAL 21 HG23 VAL 21 -15.648 5.913 -0.407 176 2HG2 VAL 21 HG22 VAL 21 -15.772 7.114 0.875 177 3HG2 VAL 21 HG21 VAL 21 -15.631 7.629 -0.802 178 H ASP 22 HN ASP 22 -11.445 5.229 -1.350 179 HA ASP 22 HA ASP 22 -12.793 3.056 -2.839 180 1HB ASP 22 HB2 ASP 22 -12.738 4.189 -4.956 181 2HB ASP 22 HB1 ASP 22 -13.526 5.278 -3.817 182 H ALA 23 HN ALA 23 -11.277 2.552 -4.858 183 HA ALA 23 HA ALA 23 -8.727 1.776 -3.704 184 1HB ALA 23 HB2 ALA 23 -10.121 1.394 -6.316 185 2HB ALA 23 HB1 ALA 23 -8.376 1.159 -6.276 186 3HB ALA 23 HB3 ALA 23 -9.420 0.193 -5.236 187 H ALA 24 HN ALA 24 -9.785 4.184 -6.052 188 HA ALA 24 HA ALA 24 -7.259 5.034 -6.992 189 1HB ALA 24 HB1 ALA 24 -9.777 5.798 -7.523 190 2HB ALA 24 HB3 ALA 24 -9.310 7.126 -6.464 191 3HB ALA 24 HB2 ALA 24 -8.389 6.803 -7.929 192 H THR 25 HN THR 25 -9.159 6.435 -4.316 193 HA THR 25 HA THR 25 -7.121 8.220 -3.441 194 HB THR 25 HB THR 25 -9.699 7.941 -2.706 195 HG1 THR 25 HG1 THR 25 -8.869 9.712 -1.897 196 1HG2 THR 25 HG22 THR 25 -8.983 5.796 -1.365 197 2HG2 THR 25 HG21 THR 25 -8.203 6.941 -0.276 198 3HG2 THR 25 HG23 THR 25 -9.941 7.010 -0.526 199 H ALA 26 HN ALA 26 -7.616 4.821 -2.869 200 HA ALA 26 HA ALA 26 -5.822 4.604 -0.612 201 1HB ALA 26 HB1 ALA 26 -6.700 2.509 -2.615 202 2HB ALA 26 HB3 ALA 26 -5.881 2.175 -1.094 203 3HB ALA 26 HB2 ALA 26 -7.498 2.873 -1.089 204 H GLU 27 HN GLU 27 -5.425 4.383 -4.098 205 HA GLU 27 HA GLU 27 -2.783 3.327 -4.143 206 1HB GLU 27 HB2 GLU 27 -4.312 5.093 -6.052 207 2HB GLU 27 HB1 GLU 27 -2.686 4.529 -6.398 208 1HG GLU 27 HG2 GLU 27 -3.480 2.170 -6.051 209 2HG GLU 27 HG1 GLU 27 -5.115 2.793 -5.859 210 H LYS 28 HN LYS 28 -3.934 6.688 -4.042 211 HA LYS 28 HA LYS 28 -1.182 7.706 -3.998 212 1HB LYS 28 HB2 LYS 28 -2.644 9.872 -3.334 213 2HB LYS 28 HB1 LYS 28 -2.441 9.330 -4.994 214 1HG LYS 28 HG2 LYS 28 -4.541 8.119 -4.925 215 2HG LYS 28 HG1 LYS 28 -4.713 8.422 -3.201 216 1HD LYS 28 HD2 LYS 28 -4.387 10.776 -5.030 217 2HD LYS 28 HD1 LYS 28 -5.947 9.962 -4.995 218 1HE LYS 28 HE2 LYS 28 -4.651 10.610 -2.373 219 2HE LYS 28 HE1 LYS 28 -5.372 11.932 -3.281 220 1HZ LYS 28 HZ2 LYS 28 -7.336 10.227 -3.463 221 2HZ LYS 28 HZ1 LYS 28 -6.647 9.617 -2.036 222 3HZ LYS 28 HZ3 LYS 28 -7.161 11.234 -2.107 223 H VAL 29 HN VAL 29 -3.791 7.203 -1.674 224 HA VAL 29 HA VAL 29 -2.617 8.593 0.517 225 HB VAL 29 HB VAL 29 -4.448 6.190 0.425 226 1HG1 VAL 29 HG13 VAL 29 -3.277 7.719 2.752 227 2HG1 VAL 29 HG12 VAL 29 -4.847 6.932 2.888 228 3HG1 VAL 29 HG11 VAL 29 -3.409 5.975 2.545 229 1HG2 VAL 29 HG23 VAL 29 -4.976 8.758 -0.231 230 2HG2 VAL 29 HG22 VAL 29 -6.164 7.726 0.558 231 3HG2 VAL 29 HG21 VAL 29 -5.214 8.858 1.511 232 H PHE 30 HN PHE 30 -2.576 5.076 -0.085 233 HA PHE 30 HA PHE 30 -0.644 4.440 1.882 234 1HB PHE 30 HB2 PHE 30 -1.570 3.145 -0.649 235 2HB PHE 30 HB1 PHE 30 -0.089 2.541 0.082 236 HD1 PHE 30 HD1 PHE 30 -0.341 2.344 2.821 237 HD2 PHE 30 HD2 PHE 30 -3.512 2.011 -0.009 238 HE1 PHE 30 HE1 PHE 30 -1.676 1.077 4.453 239 HE2 PHE 30 HE2 PHE 30 -4.820 0.729 1.622 240 HZ PHE 30 HZ PHE 30 -3.900 0.229 3.840 241 H LYS 31 HN LYS 31 -0.241 5.455 -1.478 242 HA LYS 31 HA LYS 31 2.559 5.077 -1.695 243 1HB LYS 31 HB2 LYS 31 1.134 5.668 -3.614 244 2HB LYS 31 HB1 LYS 31 0.862 7.265 -2.921 245 1HG LYS 31 HG2 LYS 31 3.156 7.880 -3.180 246 2HG LYS 31 HG1 LYS 31 3.646 6.217 -3.478 247 1HD LYS 31 HD2 LYS 31 3.061 6.314 -5.679 248 2HD LYS 31 HD1 LYS 31 1.588 7.215 -5.341 249 1HE LYS 31 HE2 LYS 31 4.337 8.471 -5.166 250 2HE LYS 31 HE1 LYS 31 3.390 8.480 -6.648 251 1HZ LYS 31 HZ2 LYS 31 1.595 9.572 -5.408 252 2HZ LYS 31 HZ1 LYS 31 2.597 9.643 -4.038 253 3HZ LYS 31 HZ3 LYS 31 3.019 10.496 -5.444 254 H GLN 32 HN GLN 32 0.701 7.763 -0.359 255 HA GLN 32 HA GLN 32 2.890 9.530 0.106 256 1HB GLN 32 HB2 GLN 32 0.529 10.226 0.311 257 2HB GLN 32 HB1 GLN 32 0.348 9.194 1.725 258 1HG GLN 32 HG2 GLN 32 1.654 10.576 3.070 259 2HG GLN 32 HG1 GLN 32 2.574 11.208 1.706 260 1HE2 GLN 32 HE22 GLN 32 0.579 14.110 1.944 261 2HE2 GLN 32 HE21 GLN 32 2.137 13.445 2.050 262 OH TYR 33 OH TYR 33 4.721 2.732 8.322 263 H TYR 33 HN TYR 33 1.696 6.746 1.842 264 HA TYR 33 HA TYR 33 3.289 7.201 4.227 265 1HB TYR 33 HB2 TYR 33 1.255 5.806 4.296 266 2HB TYR 33 HB1 TYR 33 2.002 4.664 3.186 267 HD1 TYR 33 HD1 TYR 33 4.090 3.442 3.899 268 HD2 TYR 33 HD2 TYR 33 1.790 5.744 6.636 269 HE1 TYR 33 HE1 TYR 33 5.179 2.301 5.770 270 HE2 TYR 33 HE2 TYR 33 2.878 4.600 8.512 271 HH TYR 33 HH TYR 33 4.045 2.495 8.962 272 H ALA 34 HN ALA 34 3.518 4.731 1.680 273 HA ALA 34 HA ALA 34 6.012 3.656 2.320 274 1HB ALA 34 HB2 ALA 34 4.324 3.150 0.349 275 2HB ALA 34 HB1 ALA 34 5.399 4.208 -0.561 276 3HB ALA 34 HB3 ALA 34 6.029 2.742 0.183 277 H ASN 35 HN ASN 35 5.277 6.733 0.861 278 HA ASN 35 HA ASN 35 7.931 7.319 -0.099 279 1HB ASN 35 HB2 ASN 35 5.590 8.496 -0.537 280 2HB ASN 35 HB1 ASN 35 6.105 9.504 0.813 281 1HD2 ASN 35 HD22 ASN 35 7.855 9.937 -2.815 282 2HD2 ASN 35 HD21 ASN 35 6.609 8.813 -2.556 283 H ASP 36 HN ASP 36 6.298 7.744 2.971 284 HA ASP 36 HA ASP 36 8.408 9.378 4.135 285 1HB ASP 36 HB2 ASP 36 6.173 7.820 5.463 286 2HB ASP 36 HB1 ASP 36 7.182 9.033 6.248 287 H ASN 37 HN ASN 37 8.830 6.525 3.002 288 HA ASN 37 HA ASN 37 10.559 5.635 5.264 289 1HB ASN 37 HB2 ASN 37 8.549 3.965 3.754 290 2HB ASN 37 HB1 ASN 37 9.905 3.240 4.611 291 1HD2 ASN 37 HD22 ASN 37 6.718 4.647 6.689 292 2HD2 ASN 37 HD21 ASN 37 6.788 4.756 4.996 293 H GLY 38 HN GLY 38 9.885 5.737 1.842 294 1HA GLY 38 HA2 GLY 38 11.708 6.009 0.242 295 2HA GLY 38 HA1 GLY 38 12.752 5.098 1.328 296 H VAL 39 HN VAL 39 9.519 4.442 -0.010 297 HA VAL 39 HA VAL 39 10.636 2.056 -1.401 298 HB VAL 39 HB VAL 39 8.238 2.016 0.453 299 1HG1 VAL 39 HG13 VAL 39 9.155 0.261 -1.738 300 2HG1 VAL 39 HG12 VAL 39 8.834 -0.585 -0.228 301 3HG1 VAL 39 HG11 VAL 39 7.568 0.376 -0.987 302 1HG2 VAL 39 HG22 VAL 39 10.954 0.658 0.600 303 2HG2 VAL 39 HG21 VAL 39 10.410 1.978 1.630 304 3HG2 VAL 39 HG23 VAL 39 9.630 0.404 1.734 305 H ASP 40 HN ASP 40 10.251 2.818 -3.437 306 HA ASP 40 HA ASP 40 7.410 3.014 -4.236 307 1HB ASP 40 HB2 ASP 40 9.418 5.249 -4.541 308 2HB ASP 40 HB1 ASP 40 7.979 5.138 -5.553 309 H GLY 41 HN GLY 41 7.063 2.208 -6.243 310 1HA GLY 41 HA2 GLY 41 8.799 2.267 -8.455 311 2HA GLY 41 HA1 GLY 41 9.188 0.792 -7.574 312 H GLU 42 HN GLU 42 7.627 -0.853 -7.417 313 HA GLU 42 HA GLU 42 5.499 -0.682 -9.506 314 1HB GLU 42 HB2 GLU 42 6.579 -3.128 -8.118 315 2HB GLU 42 HB1 GLU 42 5.563 -3.094 -9.551 316 1HG GLU 42 HG2 GLU 42 7.726 -3.380 -10.454 317 2HG GLU 42 HG1 GLU 42 7.481 -1.641 -10.581 318 CH2 TRP 43 CH2 TRP 43 2.173 2.515 -2.144 319 H TRP 43 HN TRP 43 3.433 -0.611 -8.899 320 HA TRP 43 HA TRP 43 2.769 -1.295 -6.058 321 1HB TRP 43 HB2 TRP 43 1.800 0.858 -7.906 322 2HB TRP 43 HB1 TRP 43 0.809 0.338 -6.556 323 HD1 TRP 43 HD1 TRP 43 4.428 1.512 -7.246 324 HE1 TRP 43 HE1 TRP 43 5.137 2.844 -5.197 325 HE3 TRP 43 HE3 TRP 43 0.435 0.722 -4.385 326 HZ2 TRP 43 HZ2 TRP 43 4.088 3.395 -2.472 327 HZ3 TRP 43 HZ3 TRP 43 0.278 1.536 -2.089 328 HH2 TRP 43 HH2 TRP 43 2.103 2.865 -1.125 329 H THR 44 HN THR 44 1.145 -2.696 -5.671 330 HA THR 44 HA THR 44 -0.486 -3.604 -8.021 331 HB THR 44 HB THR 44 -0.307 -5.922 -7.188 332 HG1 THR 44 HG1 THR 44 0.191 -4.572 -4.996 333 1HG2 THR 44 HG21 THR 44 1.680 -4.892 -8.520 334 2HG2 THR 44 HG23 THR 44 2.471 -4.728 -6.955 335 3HG2 THR 44 HG22 THR 44 2.030 -6.324 -7.556 336 OH TYR 45 OH TYR 45 -8.919 -1.301 -3.104 337 H TYR 45 HN TYR 45 -2.434 -4.907 -7.252 338 HA TYR 45 HA TYR 45 -3.568 -3.868 -4.695 339 1HB TYR 45 HB2 TYR 45 -4.143 -2.437 -6.782 340 2HB TYR 45 HB1 TYR 45 -5.143 -3.801 -7.280 341 HD1 TYR 45 HD1 TYR 45 -6.622 -4.699 -4.969 342 HD2 TYR 45 HD2 TYR 45 -5.408 -0.735 -5.885 343 HE1 TYR 45 HE1 TYR 45 -8.369 -3.830 -3.512 344 HE2 TYR 45 HE2 TYR 45 -7.206 0.133 -4.477 345 HH TYR 45 HH TYR 45 -9.688 -1.863 -3.223 346 H ASP 46 HN ASP 46 -4.593 -5.466 -3.620 347 HA ASP 46 HA ASP 46 -5.340 -7.943 -5.135 348 1HB ASP 46 HB2 ASP 46 -3.540 -8.020 -3.278 349 2HB ASP 46 HB1 ASP 46 -4.887 -7.820 -2.161 350 H ASP 47 HN ASP 47 -7.377 -6.725 -5.604 351 HA ASP 47 HA ASP 47 -9.206 -6.022 -3.505 352 1HB ASP 47 HB2 ASP 47 -9.377 -5.245 -5.885 353 2HB ASP 47 HB1 ASP 47 -9.901 -6.868 -6.329 354 H ALA 48 HN ALA 48 -7.967 -8.944 -4.053 355 HA ALA 48 HA ALA 48 -10.357 -10.603 -3.997 356 1HB ALA 48 HB2 ALA 48 -7.904 -11.186 -4.756 357 2HB ALA 48 HB1 ALA 48 -7.681 -11.573 -3.052 358 3HB ALA 48 HB3 ALA 48 -8.901 -12.422 -3.995 359 H THR 49 HN THR 49 -8.095 -9.338 -1.612 360 HA THR 49 HA THR 49 -10.032 -10.115 0.522 361 HB THR 49 HB THR 49 -7.861 -10.591 1.947 362 HG1 THR 49 HG1 THR 49 -6.433 -11.522 0.070 363 1HG2 THR 49 HG22 THR 49 -9.240 -12.289 -0.065 364 2HG2 THR 49 HG21 THR 49 -7.634 -12.845 0.397 365 3HG2 THR 49 HG23 THR 49 -8.882 -12.640 1.622 366 H LYS 50 HN LYS 50 -9.083 -7.612 -0.957 367 HA LYS 50 HA LYS 50 -8.704 -5.368 -0.407 368 1HB LYS 50 HB2 LYS 50 -9.501 -6.167 2.398 369 2HB LYS 50 HB1 LYS 50 -9.631 -4.575 1.662 370 1HG LYS 50 HG2 LYS 50 -11.029 -6.134 -0.127 371 2HG LYS 50 HG1 LYS 50 -11.415 -6.911 1.405 372 1HD LYS 50 HD2 LYS 50 -12.025 -4.662 2.337 373 2HD LYS 50 HD1 LYS 50 -11.755 -3.967 0.742 374 1HE LYS 50 HE2 LYS 50 -13.877 -4.515 0.206 375 2HE LYS 50 HE1 LYS 50 -13.424 -6.209 0.328 376 1HZ LYS 50 HZ1 LYS 50 -14.049 -4.733 2.781 377 2HZ LYS 50 HZ3 LYS 50 -15.326 -5.240 1.783 378 3HZ LYS 50 HZ2 LYS 50 -14.248 -6.382 2.430 379 H THR 51 HN THR 51 -6.430 -6.340 -0.709 380 HA THR 51 HA THR 51 -4.805 -5.479 1.640 381 HB THR 51 HB THR 51 -4.478 -8.112 0.124 382 HG1 THR 51 HG1 THR 51 -5.015 -8.884 2.163 383 1HG2 THR 51 HG22 THR 51 -2.388 -6.630 1.242 384 2HG2 THR 51 HG21 THR 51 -2.912 -7.649 2.574 385 3HG2 THR 51 HG23 THR 51 -2.400 -8.374 1.057 386 H PHE 52 HN PHE 52 -3.650 -3.775 0.817 387 HA PHE 52 HA PHE 52 -3.021 -3.620 -2.031 388 1HB PHE 52 HB2 PHE 52 -2.989 -1.848 0.254 389 2HB PHE 52 HB1 PHE 52 -1.488 -1.729 -0.652 390 HD1 PHE 52 HD1 PHE 52 -1.533 -1.092 -3.077 391 HD2 PHE 52 HD2 PHE 52 -5.073 -1.170 -0.741 392 HE1 PHE 52 HE1 PHE 52 -2.721 0.196 -4.809 393 HE2 PHE 52 HE2 PHE 52 -6.210 0.228 -2.386 394 HZ PHE 52 HZ PHE 52 -5.019 0.956 -4.402 395 H THR 53 HN THR 53 -0.755 -3.442 -2.797 396 HA THR 53 HA THR 53 1.332 -4.392 -0.974 397 HB THR 53 HB THR 53 0.405 -6.132 -3.286 398 HG1 THR 53 HG1 THR 53 -0.639 -6.967 -1.651 399 1HG2 THR 53 HG23 THR 53 2.991 -5.891 -1.931 400 2HG2 THR 53 HG22 THR 53 2.259 -7.468 -1.655 401 3HG2 THR 53 HG21 THR 53 2.559 -6.914 -3.299 402 H VAL 54 HN VAL 54 3.249 -3.599 -1.531 403 HA VAL 54 HA VAL 54 3.661 -2.691 -4.352 404 HB VAL 54 HB VAL 54 3.057 -0.770 -2.831 405 1HG1 VAL 54 HG12 VAL 54 4.211 -1.881 -0.842 406 2HG1 VAL 54 HG11 VAL 54 5.731 -1.323 -1.533 407 3HG1 VAL 54 HG13 VAL 54 4.508 -0.159 -1.038 408 1HG2 VAL 54 HG21 VAL 54 5.860 -0.881 -3.984 409 2HG2 VAL 54 HG23 VAL 54 4.415 -0.260 -4.758 410 3HG2 VAL 54 HG22 VAL 54 5.119 0.596 -3.397 411 H THR 55 HN THR 55 5.857 -2.747 -5.011 412 HA THR 55 HA THR 55 7.807 -3.919 -3.101 413 HB THR 55 HB THR 55 7.153 -5.219 -5.779 414 HG1 THR 55 HG1 THR 55 6.126 -5.334 -3.312 415 1HG2 THR 55 HG21 THR 55 9.371 -5.472 -3.825 416 2HG2 THR 55 HG23 THR 55 8.563 -6.990 -4.208 417 3HG2 THR 55 HG22 THR 55 9.290 -6.032 -5.490 418 H GLU 56 HN GLU 56 9.516 -2.603 -3.224 419 HA GLU 56 HA GLU 56 10.045 -0.813 -5.379 420 1HB GLU 56 HB2 GLU 56 11.113 -1.287 -2.845 421 2HB GLU 56 HB1 GLU 56 12.455 -1.585 -3.940 422 1HG GLU 56 HG2 GLU 56 11.921 0.614 -5.064 423 2HG GLU 56 HG1 GLU 56 10.733 0.913 -3.798 Start of MODEL 48 Raw file had 423 H/Q atoms Entry Start of MODEL 48 1 1H MET 1 HT3 MET 1 -13.364 1.624 3.876 2 2H MET 1 HT2 MET 1 -14.724 0.911 3.152 3 3H MET 1 HT1 MET 1 -14.486 0.772 4.827 4 HA MET 1 HA MET 1 -13.532 -1.174 4.427 5 1HB MET 1 HB2 MET 1 -13.465 -0.213 1.566 6 2HB MET 1 HB1 MET 1 -12.748 -1.746 2.049 7 1HG MET 1 HG2 MET 1 -15.043 -2.084 1.289 8 2HG MET 1 HG1 MET 1 -14.882 -2.481 2.979 9 1HE MET 1 HE3 MET 1 -17.434 -2.704 2.344 10 2HE MET 1 HE2 MET 1 -17.163 -2.360 4.053 11 3HE MET 1 HE1 MET 1 -18.455 -1.535 3.181 12 H THR 2 HN THR 2 -11.626 -1.430 5.363 13 HA THR 2 HA THR 2 -9.385 0.371 4.606 14 HB THR 2 HB THR 2 -9.350 -1.583 6.924 15 HG1 THR 2 HG1 THR 2 -11.175 -0.457 7.296 16 1HG2 THR 2 HG23 THR 2 -7.379 0.033 6.106 17 2HG2 THR 2 HG22 THR 2 -8.360 1.255 6.908 18 3HG2 THR 2 HG21 THR 2 -7.746 -0.120 7.821 19 OH TYR 3 OH TYR 3 -11.635 0.353 -0.754 20 H TYR 3 HN TYR 3 -7.794 -0.350 3.330 21 HA TYR 3 HA TYR 3 -7.618 -3.274 2.808 22 1HB TYR 3 HB2 TYR 3 -6.065 -1.164 1.329 23 2HB TYR 3 HB1 TYR 3 -6.567 -2.750 0.767 24 HD1 TYR 3 HD1 TYR 3 -7.900 0.584 1.795 25 HD2 TYR 3 HD2 TYR 3 -8.649 -3.017 -0.330 26 HE1 TYR 3 HE1 TYR 3 -9.968 1.544 0.888 27 HE2 TYR 3 HE2 TYR 3 -10.707 -2.056 -1.246 28 HH TYR 3 HH TYR 3 -11.997 -0.268 -1.391 29 H LYS 4 HN LYS 4 -5.537 -4.316 2.784 30 HA LYS 4 HA LYS 4 -3.705 -3.153 4.839 31 1HB LYS 4 HB2 LYS 4 -4.900 -5.542 4.911 32 2HB LYS 4 HB1 LYS 4 -3.516 -5.994 3.934 33 1HG LYS 4 HG2 LYS 4 -2.230 -4.597 5.864 34 2HG LYS 4 HG1 LYS 4 -3.615 -5.157 6.792 35 1HD LYS 4 HD2 LYS 4 -1.778 -6.942 5.153 36 2HD LYS 4 HD1 LYS 4 -1.723 -6.767 6.902 37 1HE LYS 4 HE2 LYS 4 -4.078 -7.809 5.292 38 2HE LYS 4 HE1 LYS 4 -3.015 -8.768 6.312 39 1HZ LYS 4 HZ1 LYS 4 -4.007 -6.612 7.804 40 2HZ LYS 4 HZ3 LYS 4 -5.313 -7.391 7.050 41 3HZ LYS 4 HZ2 LYS 4 -4.258 -8.274 8.044 42 H LEU 5 HN LEU 5 -1.882 -2.277 4.050 43 HA LEU 5 HA LEU 5 -0.951 -3.001 1.366 44 1HB LEU 5 HB2 LEU 5 -0.822 -0.657 1.905 45 2HB LEU 5 HB1 LEU 5 -0.022 -0.982 3.436 46 HG LEU 5 HG LEU 5 1.986 -1.846 2.119 47 1HD1 LEU 5 HD11 LEU 5 0.766 -2.341 -0.005 48 2HD1 LEU 5 HD13 LEU 5 0.482 -0.618 -0.215 49 3HD1 LEU 5 HD12 LEU 5 2.121 -1.253 -0.264 50 1HD2 LEU 5 HD22 LEU 5 1.736 0.510 3.006 51 2HD2 LEU 5 HD21 LEU 5 2.820 0.352 1.628 52 3HD2 LEU 5 HD23 LEU 5 1.194 0.977 1.399 53 H ILE 6 HN ILE 6 1.119 -3.853 0.920 54 HA ILE 6 HA ILE 6 2.532 -5.131 3.185 55 HB ILE 6 HB ILE 6 2.144 -6.360 0.446 56 1HG1 ILE 6 HG12 ILE 6 0.718 -6.795 3.086 57 2HG1 ILE 6 HG11 ILE 6 -0.002 -6.368 1.538 58 1HG2 ILE 6 HG22 ILE 6 4.211 -6.944 1.895 59 2HG2 ILE 6 HG21 ILE 6 3.068 -7.701 2.996 60 3HG2 ILE 6 HG23 ILE 6 3.221 -8.288 1.344 61 1HD1 ILE 6 HD1 ILE 6 0.993 -8.596 0.671 62 2HD1 ILE 6 HD3 ILE 6 1.223 -9.007 2.368 63 3HD1 ILE 6 HD2 ILE 6 -0.395 -8.706 1.747 64 H LEU 7 HN LEU 7 4.282 -3.833 3.319 65 HA LEU 7 HA LEU 7 5.560 -2.736 0.942 66 1HB LEU 7 HB2 LEU 7 6.146 -2.618 3.884 67 2HB LEU 7 HB1 LEU 7 7.276 -1.967 2.703 68 HG LEU 7 HG LEU 7 4.449 -1.183 2.298 69 1HD1 LEU 7 HD13 LEU 7 6.063 -0.261 4.697 70 2HD1 LEU 7 HD12 LEU 7 4.634 0.575 4.095 71 3HD1 LEU 7 HD11 LEU 7 4.495 -1.063 4.727 72 1HD2 LEU 7 HD23 LEU 7 6.353 -0.303 0.964 73 2HD2 LEU 7 HD22 LEU 7 5.533 0.985 1.839 74 3HD2 LEU 7 HD21 LEU 7 7.066 0.355 2.434 75 H ASN 8 HN ASN 8 6.713 -4.039 -0.336 76 HA ASN 8 HA ASN 8 8.394 -6.145 0.938 77 1HB ASN 8 HB2 ASN 8 6.921 -5.889 -1.577 78 2HB ASN 8 HB1 ASN 8 8.564 -6.444 -1.830 79 1HD2 ASN 8 HD22 ASN 8 5.923 -9.077 -0.661 80 2HD2 ASN 8 HD21 ASN 8 5.603 -7.654 -1.516 81 H GLY 9 HN GLY 9 9.302 -3.584 1.344 82 1HA GLY 9 HA2 GLY 9 11.064 -2.614 -0.687 83 2HA GLY 9 HA1 GLY 9 11.177 -2.206 1.013 84 H LYS 10 HN LYS 10 13.133 -3.072 -1.173 85 HA LYS 10 HA LYS 10 14.206 -5.621 -0.320 86 1HB LYS 10 HB2 LYS 10 15.037 -3.431 -2.150 87 2HB LYS 10 HB1 LYS 10 16.324 -4.451 -1.517 88 1HG LYS 10 HG2 LYS 10 15.427 -6.402 -2.479 89 2HG LYS 10 HG1 LYS 10 13.819 -5.700 -2.634 90 1HD LYS 10 HD2 LYS 10 14.600 -4.194 -4.393 91 2HD LYS 10 HD1 LYS 10 16.254 -4.761 -4.185 92 1HE LYS 10 HE2 LYS 10 15.874 -6.541 -5.524 93 2HE LYS 10 HE1 LYS 10 14.467 -7.008 -4.576 94 1HZ LYS 10 HZ1 LYS 10 13.375 -5.040 -5.845 95 2HZ LYS 10 HZ3 LYS 10 14.621 -5.315 -6.965 96 3HZ LYS 10 HZ2 LYS 10 13.528 -6.559 -6.588 97 H THR 11 HN THR 11 14.447 -2.380 0.770 98 HA THR 11 HA THR 11 16.689 -3.106 2.601 99 HB THR 11 HB THR 11 16.581 -0.430 2.858 100 HG1 THR 11 HG1 THR 11 15.896 0.334 0.768 101 1HG2 THR 11 HG21 THR 11 18.484 -1.783 1.814 102 2HG2 THR 11 HG23 THR 11 17.609 -1.689 0.290 103 3HG2 THR 11 HG22 THR 11 18.205 -0.220 1.055 104 H LEU 12 HN LEU 12 13.359 -2.686 2.456 105 HA LEU 12 HA LEU 12 13.145 -2.833 5.368 106 1HB LEU 12 HB2 LEU 12 13.513 -0.354 4.793 107 2HB LEU 12 HB1 LEU 12 11.892 -0.400 4.110 108 HG LEU 12 HG LEU 12 11.481 -1.640 6.518 109 1HD1 LEU 12 HD12 LEU 12 13.842 -1.153 7.180 110 2HD1 LEU 12 HD11 LEU 12 13.519 0.566 6.978 111 3HD1 LEU 12 HD13 LEU 12 12.679 -0.346 8.228 112 1HD2 LEU 12 HD22 LEU 12 11.350 1.285 5.738 113 2HD2 LEU 12 HD21 LEU 12 10.041 0.107 5.724 114 3HD2 LEU 12 HD23 LEU 12 10.689 0.685 7.256 115 H LYS 13 HN LYS 13 11.569 -4.264 5.647 116 HA LYS 13 HA LYS 13 9.278 -4.279 3.727 117 1HB LYS 13 HB2 LYS 13 10.235 -6.449 5.608 118 2HB LYS 13 HB1 LYS 13 8.910 -6.599 4.461 119 1HG LYS 13 HG2 LYS 13 10.398 -6.326 2.584 120 2HG LYS 13 HG1 LYS 13 11.731 -5.857 3.634 121 1HD LYS 13 HD2 LYS 13 10.571 -8.446 4.374 122 2HD LYS 13 HD1 LYS 13 11.219 -8.436 2.738 123 1HE LYS 13 HE2 LYS 13 12.749 -7.408 5.146 124 2HE LYS 13 HE1 LYS 13 12.905 -9.047 4.531 125 1HZ LYS 13 HZ2 LYS 13 13.560 -8.110 2.381 126 2HZ LYS 13 HZ1 LYS 13 13.491 -6.548 3.046 127 3HZ LYS 13 HZ3 LYS 13 14.626 -7.670 3.627 128 H GLY 14 HN GLY 14 7.233 -3.939 4.455 129 1HA GLY 14 HA2 GLY 14 6.709 -4.000 7.367 130 2HA GLY 14 HA1 GLY 14 6.496 -2.449 6.565 131 H GLU 15 HN GLU 15 4.277 -2.799 7.432 132 HA GLU 15 HA GLU 15 2.462 -3.537 5.353 133 1HB GLU 15 HB2 GLU 15 1.404 -5.504 6.408 134 2HB GLU 15 HB1 GLU 15 3.086 -5.839 6.019 135 1HG GLU 15 HG2 GLU 15 3.343 -4.800 8.538 136 2HG GLU 15 HG1 GLU 15 1.778 -5.597 8.664 137 H THR 16 HN THR 16 0.821 -2.169 5.692 138 HA THR 16 HA THR 16 -0.176 -1.769 8.467 139 HB THR 16 HB THR 16 1.303 0.133 8.288 140 HG1 THR 16 HG1 THR 16 -0.274 1.588 8.565 141 1HG2 THR 16 HG23 THR 16 0.736 -0.108 5.471 142 2HG2 THR 16 HG22 THR 16 0.237 1.493 6.002 143 3HG2 THR 16 HG21 THR 16 1.898 0.964 6.246 144 H THR 17 HN THR 17 -2.211 -0.292 8.353 145 HA THR 17 HA THR 17 -3.766 -0.964 5.881 146 HB THR 17 HB THR 17 -5.613 -1.749 7.172 147 HG1 THR 17 HG1 THR 17 -5.542 -1.224 9.479 148 1HG2 THR 17 HG22 THR 17 -3.235 -3.011 7.628 149 2HG2 THR 17 HG21 THR 17 -3.610 -2.472 9.260 150 3HG2 THR 17 HG23 THR 17 -4.736 -3.515 8.395 151 H THR 18 HN THR 18 -4.931 0.672 5.044 152 HA THR 18 HA THR 18 -5.292 3.138 6.710 153 HB THR 18 HB THR 18 -3.505 3.215 4.770 154 HG1 THR 18 HG1 THR 18 -5.627 5.087 4.712 155 1HG2 THR 18 HG23 THR 18 -5.438 2.294 3.159 156 2HG2 THR 18 HG22 THR 18 -5.929 3.984 3.165 157 3HG2 THR 18 HG21 THR 18 -4.326 3.535 2.592 158 H GLU 19 HN GLU 19 -7.215 4.268 6.423 159 HA GLU 19 HA GLU 19 -9.417 2.662 5.307 160 1HB GLU 19 HB2 GLU 19 -9.748 3.757 7.468 161 2HB GLU 19 HB1 GLU 19 -9.404 5.327 6.749 162 1HG GLU 19 HG2 GLU 19 -11.493 3.817 5.324 163 2HG GLU 19 HG1 GLU 19 -11.925 4.223 6.982 164 H ALA 20 HN ALA 20 -10.211 2.936 3.320 165 HA ALA 20 HA ALA 20 -9.968 5.606 2.022 166 1HB ALA 20 HB1 ALA 20 -8.451 3.269 1.316 167 2HB ALA 20 HB3 ALA 20 -9.544 3.673 -0.004 168 3HB ALA 20 HB2 ALA 20 -8.401 4.871 0.589 169 H VAL 21 HN VAL 21 -11.717 6.160 0.826 170 HA VAL 21 HA VAL 21 -14.069 4.442 0.974 171 HB VAL 21 HB VAL 21 -14.029 7.002 1.109 172 1HG1 VAL 21 HG11 VAL 21 -12.587 7.015 -1.085 173 2HG1 VAL 21 HG13 VAL 21 -14.141 6.863 -1.900 174 3HG1 VAL 21 HG12 VAL 21 -13.820 8.255 -0.871 175 1HG2 VAL 21 HG23 VAL 21 -15.884 5.632 -0.871 176 2HG2 VAL 21 HG22 VAL 21 -16.112 5.700 0.873 177 3HG2 VAL 21 HG21 VAL 21 -16.203 7.174 -0.084 178 H ASP 22 HN ASP 22 -11.609 5.135 -1.356 179 HA ASP 22 HA ASP 22 -12.865 3.176 -3.203 180 1HB ASP 22 HB2 ASP 22 -12.690 4.590 -5.116 181 2HB ASP 22 HB1 ASP 22 -13.450 5.580 -3.872 182 H ALA 23 HN ALA 23 -11.310 2.455 -4.892 183 HA ALA 23 HA ALA 23 -8.779 1.784 -3.697 184 1HB ALA 23 HB2 ALA 23 -10.119 1.315 -6.309 185 2HB ALA 23 HB1 ALA 23 -8.365 1.172 -6.285 186 3HB ALA 23 HB3 ALA 23 -9.345 0.166 -5.223 187 H ALA 24 HN ALA 24 -9.835 4.318 -5.844 188 HA ALA 24 HA ALA 24 -7.282 5.112 -6.853 189 1HB ALA 24 HB2 ALA 24 -9.880 5.948 -7.218 190 2HB ALA 24 HB1 ALA 24 -9.168 7.308 -6.354 191 3HB ALA 24 HB3 ALA 24 -8.461 6.760 -7.871 192 H THR 25 HN THR 25 -9.184 6.684 -4.278 193 HA THR 25 HA THR 25 -7.094 8.348 -3.343 194 HB THR 25 HB THR 25 -9.684 8.216 -2.669 195 HG1 THR 25 HG1 THR 25 -8.909 9.860 -1.586 196 1HG2 THR 25 HG23 THR 25 -9.124 5.988 -1.371 197 2HG2 THR 25 HG22 THR 25 -8.354 7.067 -0.212 198 3HG2 THR 25 HG21 THR 25 -10.074 7.220 -0.547 199 H ALA 26 HN ALA 26 -7.680 4.965 -2.852 200 HA ALA 26 HA ALA 26 -6.014 4.639 -0.514 201 1HB ALA 26 HB2 ALA 26 -7.704 2.958 -1.266 202 2HB ALA 26 HB1 ALA 26 -6.675 2.590 -2.646 203 3HB ALA 26 HB3 ALA 26 -6.111 2.254 -1.011 204 H GLU 27 HN GLU 27 -5.445 4.269 -3.989 205 HA GLU 27 HA GLU 27 -2.805 3.327 -3.941 206 1HB GLU 27 HB2 GLU 27 -4.247 5.181 -5.833 207 2HB GLU 27 HB1 GLU 27 -2.589 4.681 -6.120 208 1HG GLU 27 HG2 GLU 27 -3.332 2.285 -5.963 209 2HG GLU 27 HG1 GLU 27 -4.993 2.855 -5.830 210 H LYS 28 HN LYS 28 -3.928 6.697 -3.880 211 HA LYS 28 HA LYS 28 -1.240 7.768 -3.633 212 1HB LYS 28 HB2 LYS 28 -3.941 9.033 -3.117 213 2HB LYS 28 HB1 LYS 28 -2.416 9.910 -3.148 214 1HG LYS 28 HG2 LYS 28 -2.511 10.031 -5.400 215 2HG LYS 28 HG1 LYS 28 -2.560 8.275 -5.503 216 1HD LYS 28 HD2 LYS 28 -4.560 9.165 -6.568 217 2HD LYS 28 HD1 LYS 28 -5.036 8.373 -5.070 218 1HE LYS 28 HE2 LYS 28 -5.987 10.309 -4.403 219 2HE LYS 28 HE1 LYS 28 -4.392 11.050 -4.384 220 1HZ LYS 28 HZ3 LYS 28 -6.110 10.848 -6.792 221 2HZ LYS 28 HZ2 LYS 28 -6.007 12.222 -5.797 222 3HZ LYS 28 HZ1 LYS 28 -4.642 11.689 -6.655 223 H VAL 29 HN VAL 29 -3.905 7.258 -1.337 224 HA VAL 29 HA VAL 29 -2.769 8.409 0.951 225 HB VAL 29 HB VAL 29 -4.450 5.909 0.679 226 1HG1 VAL 29 HG11 VAL 29 -3.462 7.403 3.117 227 2HG1 VAL 29 HG13 VAL 29 -4.931 6.433 3.160 228 3HG1 VAL 29 HG12 VAL 29 -3.385 5.673 2.798 229 1HG2 VAL 29 HG23 VAL 29 -5.107 8.511 0.196 230 2HG2 VAL 29 HG22 VAL 29 -6.253 7.319 0.796 231 3HG2 VAL 29 HG21 VAL 29 -5.451 8.410 1.920 232 H PHE 30 HN PHE 30 -2.425 5.028 -0.114 233 HA PHE 30 HA PHE 30 -0.476 4.372 1.894 234 1HB PHE 30 HB2 PHE 30 -1.407 3.113 -0.657 235 2HB PHE 30 HB1 PHE 30 0.090 2.534 0.060 236 HD1 PHE 30 HD1 PHE 30 -0.151 2.271 2.800 237 HD2 PHE 30 HD2 PHE 30 -3.324 1.935 -0.028 238 HE1 PHE 30 HE1 PHE 30 -1.455 0.945 4.408 239 HE2 PHE 30 HE2 PHE 30 -4.602 0.603 1.582 240 HZ PHE 30 HZ PHE 30 -3.669 0.080 3.786 241 H LYS 31 HN LYS 31 -0.118 5.141 -1.570 242 HA LYS 31 HA LYS 31 2.659 5.011 -1.789 243 1HB LYS 31 HB2 LYS 31 1.023 5.599 -3.625 244 2HB LYS 31 HB1 LYS 31 0.987 7.237 -2.979 245 1HG LYS 31 HG2 LYS 31 3.697 6.764 -3.144 246 2HG LYS 31 HG1 LYS 31 3.097 5.870 -4.534 247 1HD LYS 31 HD2 LYS 31 3.449 8.056 -5.378 248 2HD LYS 31 HD1 LYS 31 1.719 7.999 -5.068 249 1HE LYS 31 HE2 LYS 31 2.683 8.814 -2.626 250 2HE LYS 31 HE1 LYS 31 3.819 9.586 -3.725 251 1HZ LYS 31 HZ3 LYS 31 0.931 9.754 -4.246 252 2HZ LYS 31 HZ2 LYS 31 1.646 10.783 -3.101 253 3HZ LYS 31 HZ1 LYS 31 2.172 10.814 -4.715 254 H GLN 32 HN GLN 32 0.704 7.589 -0.388 255 HA GLN 32 HA GLN 32 2.829 9.449 0.046 256 1HB GLN 32 HB2 GLN 32 0.452 10.063 0.280 257 2HB GLN 32 HB1 GLN 32 0.316 9.009 1.683 258 1HG GLN 32 HG2 GLN 32 1.220 10.580 3.041 259 2HG GLN 32 HG1 GLN 32 2.581 10.821 1.949 260 1HE2 GLN 32 HE22 GLN 32 -0.123 13.691 2.149 261 2HE2 GLN 32 HE21 GLN 32 0.183 12.538 3.355 262 OH TYR 33 OH TYR 33 4.977 2.688 8.217 263 H TYR 33 HN TYR 33 1.679 6.673 1.856 264 HA TYR 33 HA TYR 33 3.332 7.163 4.185 265 1HB TYR 33 HB2 TYR 33 1.339 5.738 4.329 266 2HB TYR 33 HB1 TYR 33 2.053 4.606 3.183 267 HD1 TYR 33 HD1 TYR 33 4.157 3.379 3.819 268 HD2 TYR 33 HD2 TYR 33 1.984 5.699 6.643 269 HE1 TYR 33 HE1 TYR 33 5.327 2.246 5.648 270 HE2 TYR 33 HE2 TYR 33 3.152 4.564 8.476 271 HH TYR 33 HH TYR 33 5.219 3.349 8.870 272 H ALA 34 HN ALA 34 3.569 4.705 1.621 273 HA ALA 34 HA ALA 34 6.060 3.624 2.216 274 1HB ALA 34 HB2 ALA 34 4.332 3.510 0.053 275 2HB ALA 34 HB1 ALA 34 5.800 4.187 -0.646 276 3HB ALA 34 HB3 ALA 34 5.855 2.638 0.190 277 H ASN 35 HN ASN 35 5.371 6.663 0.562 278 HA ASN 35 HA ASN 35 7.993 7.340 -0.252 279 1HB ASN 35 HB2 ASN 35 5.802 8.585 -0.730 280 2HB ASN 35 HB1 ASN 35 6.018 9.346 0.843 281 1HD2 ASN 35 HD22 ASN 35 9.435 10.285 -0.868 282 2HD2 ASN 35 HD21 ASN 35 9.111 8.865 0.003 283 H ASP 36 HN ASP 36 6.416 7.675 2.877 284 HA ASP 36 HA ASP 36 8.520 9.213 4.111 285 1HB ASP 36 HB2 ASP 36 6.414 7.407 5.331 286 2HB ASP 36 HB1 ASP 36 7.443 8.505 6.248 287 H ASN 37 HN ASN 37 8.799 6.324 2.767 288 HA ASN 37 HA ASN 37 10.815 5.390 4.776 289 1HB ASN 37 HB2 ASN 37 8.693 3.835 3.328 290 2HB ASN 37 HB1 ASN 37 10.192 3.041 3.802 291 1HD2 ASN 37 HD22 ASN 37 7.728 4.475 6.775 292 2HD2 ASN 37 HD21 ASN 37 7.719 5.234 5.257 293 H GLY 38 HN GLY 38 9.918 5.882 1.462 294 1HA GLY 38 HA2 GLY 38 11.613 6.374 -0.218 295 2HA GLY 38 HA1 GLY 38 12.745 5.364 0.675 296 H VAL 39 HN VAL 39 9.745 3.897 0.576 297 HA VAL 39 HA VAL 39 10.714 1.931 -1.389 298 HB VAL 39 HB VAL 39 8.104 1.962 0.149 299 1HG1 VAL 39 HG12 VAL 39 9.644 -0.158 -1.383 300 2HG1 VAL 39 HG11 VAL 39 8.345 -0.545 -0.260 301 3HG1 VAL 39 HG13 VAL 39 8.008 0.414 -1.698 302 1HG2 VAL 39 HG21 VAL 39 10.793 0.709 0.812 303 2HG2 VAL 39 HG23 VAL 39 10.027 2.032 1.686 304 3HG2 VAL 39 HG22 VAL 39 9.304 0.426 1.706 305 H ASP 40 HN ASP 40 10.509 2.646 -3.453 306 HA ASP 40 HA ASP 40 7.750 3.209 -4.393 307 1HB ASP 40 HB2 ASP 40 10.095 4.988 -5.109 308 2HB ASP 40 HB1 ASP 40 8.416 5.205 -5.596 309 H GLY 41 HN GLY 41 7.340 2.078 -6.182 310 1HA GLY 41 HA2 GLY 41 9.113 1.805 -8.400 311 2HA GLY 41 HA1 GLY 41 9.237 0.354 -7.408 312 H GLU 42 HN GLU 42 7.698 -1.184 -7.610 313 HA GLU 42 HA GLU 42 5.496 -0.647 -9.538 314 1HB GLU 42 HB2 GLU 42 6.095 -3.329 -8.350 315 2HB GLU 42 HB1 GLU 42 5.428 -2.950 -9.932 316 1HG GLU 42 HG2 GLU 42 7.711 -1.808 -10.399 317 2HG GLU 42 HG1 GLU 42 8.290 -2.703 -8.996 318 CH2 TRP 43 CH2 TRP 43 2.336 2.427 -2.191 319 H TRP 43 HN TRP 43 3.350 -0.887 -8.988 320 HA TRP 43 HA TRP 43 2.775 -1.399 -6.090 321 1HB TRP 43 HB2 TRP 43 1.778 0.742 -7.942 322 2HB TRP 43 HB1 TRP 43 0.814 0.247 -6.561 323 HD1 TRP 43 HD1 TRP 43 4.402 1.430 -7.372 324 HE1 TRP 43 HE1 TRP 43 5.200 2.728 -5.339 325 HE3 TRP 43 HE3 TRP 43 0.512 0.641 -4.374 326 HZ2 TRP 43 HZ2 TRP 43 4.247 3.289 -2.585 327 HZ3 TRP 43 HZ3 TRP 43 0.435 1.464 -2.073 328 HH2 TRP 43 HH2 TRP 43 2.300 2.785 -1.173 329 H THR 44 HN THR 44 1.217 -2.831 -5.653 330 HA THR 44 HA THR 44 -0.457 -3.812 -7.941 331 HB THR 44 HB THR 44 -0.417 -6.037 -6.551 332 HG1 THR 44 HG1 THR 44 0.542 -4.814 -4.772 333 1HG2 THR 44 HG23 THR 44 2.199 -5.011 -7.723 334 2HG2 THR 44 HG22 THR 44 1.750 -6.700 -7.509 335 3HG2 THR 44 HG21 THR 44 0.900 -5.706 -8.688 336 OH TYR 45 OH TYR 45 -8.844 -1.009 -3.142 337 H TYR 45 HN TYR 45 -2.478 -4.889 -7.233 338 HA TYR 45 HA TYR 45 -3.601 -3.818 -4.685 339 1HB TYR 45 HB2 TYR 45 -4.062 -2.327 -6.759 340 2HB TYR 45 HB1 TYR 45 -5.120 -3.633 -7.300 341 HD1 TYR 45 HD1 TYR 45 -6.683 -4.493 -5.018 342 HD2 TYR 45 HD2 TYR 45 -5.271 -0.579 -5.867 343 HE1 TYR 45 HE1 TYR 45 -8.412 -3.556 -3.580 344 HE2 TYR 45 HE2 TYR 45 -7.049 0.356 -4.479 345 HH TYR 45 HH TYR 45 -9.605 -0.836 -3.703 346 H ASP 46 HN ASP 46 -4.696 -5.380 -3.648 347 HA ASP 46 HA ASP 46 -5.585 -7.775 -5.218 348 1HB ASP 46 HB2 ASP 46 -3.750 -8.010 -3.413 349 2HB ASP 46 HB1 ASP 46 -5.053 -7.758 -2.256 350 H ASP 47 HN ASP 47 -7.569 -6.473 -5.615 351 HA ASP 47 HA ASP 47 -9.304 -5.717 -3.447 352 1HB ASP 47 HB2 ASP 47 -9.505 -4.828 -5.768 353 2HB ASP 47 HB1 ASP 47 -10.059 -6.414 -6.298 354 H ALA 48 HN ALA 48 -8.453 -8.736 -4.707 355 HA ALA 48 HA ALA 48 -10.917 -10.165 -4.336 356 1HB ALA 48 HB1 ALA 48 -8.466 -10.804 -5.352 357 2HB ALA 48 HB3 ALA 48 -8.419 -11.647 -3.807 358 3HB ALA 48 HB2 ALA 48 -9.706 -11.990 -4.958 359 H THR 49 HN THR 49 -8.437 -9.089 -2.158 360 HA THR 49 HA THR 49 -10.014 -10.208 0.116 361 HB THR 49 HB THR 49 -7.870 -10.872 1.247 362 HG1 THR 49 HG1 THR 49 -6.006 -10.573 0.069 363 1HG2 THR 49 HG22 THR 49 -9.077 -12.238 -0.880 364 2HG2 THR 49 HG21 THR 49 -7.383 -12.152 -1.352 365 3HG2 THR 49 HG23 THR 49 -7.836 -12.900 0.177 366 H LYS 50 HN LYS 50 -9.160 -7.520 -1.298 367 HA LYS 50 HA LYS 50 -8.796 -5.317 -0.593 368 1HB LYS 50 HB2 LYS 50 -9.677 -6.336 2.115 369 2HB LYS 50 HB1 LYS 50 -9.774 -4.683 1.517 370 1HG LYS 50 HG2 LYS 50 -11.312 -5.472 -0.294 371 2HG LYS 50 HG1 LYS 50 -11.277 -7.081 0.417 372 1HD LYS 50 HD2 LYS 50 -12.112 -6.087 2.570 373 2HD LYS 50 HD1 LYS 50 -12.276 -4.541 1.745 374 1HE LYS 50 HE2 LYS 50 -13.829 -7.083 1.322 375 2HE LYS 50 HE1 LYS 50 -14.427 -5.439 1.505 376 1HZ LYS 50 HZ1 LYS 50 -13.262 -4.986 -0.679 377 2HZ LYS 50 HZ3 LYS 50 -13.150 -6.671 -0.853 378 3HZ LYS 50 HZ2 LYS 50 -14.674 -5.928 -0.740 379 H THR 51 HN THR 51 -6.502 -6.277 -0.891 380 HA THR 51 HA THR 51 -4.944 -5.500 1.527 381 HB THR 51 HB THR 51 -4.631 -8.133 0.004 382 HG1 THR 51 HG1 THR 51 -5.053 -8.850 2.158 383 1HG2 THR 51 HG21 THR 51 -2.522 -6.685 1.166 384 2HG2 THR 51 HG23 THR 51 -3.067 -7.745 2.455 385 3HG2 THR 51 HG22 THR 51 -2.553 -8.421 0.916 386 H PHE 52 HN PHE 52 -3.695 -3.836 0.790 387 HA PHE 52 HA PHE 52 -3.013 -3.612 -2.038 388 1HB PHE 52 HB2 PHE 52 -2.995 -1.906 0.286 389 2HB PHE 52 HB1 PHE 52 -1.467 -1.800 -0.572 390 HD1 PHE 52 HD1 PHE 52 -1.437 -1.134 -3.001 391 HD2 PHE 52 HD2 PHE 52 -5.018 -1.128 -0.732 392 HE1 PHE 52 HE1 PHE 52 -2.548 0.224 -4.731 393 HE2 PHE 52 HE2 PHE 52 -6.074 0.341 -2.366 394 HZ PHE 52 HZ PHE 52 -4.825 1.056 -4.349 395 H THR 53 HN THR 53 -0.704 -3.352 -2.720 396 HA THR 53 HA THR 53 1.349 -4.428 -0.941 397 HB THR 53 HB THR 53 0.453 -6.044 -3.356 398 HG1 THR 53 HG1 THR 53 0.449 -7.472 -1.266 399 1HG2 THR 53 HG22 THR 53 2.945 -5.981 -1.750 400 2HG2 THR 53 HG21 THR 53 2.178 -7.565 -1.823 401 3HG2 THR 53 HG23 THR 53 2.653 -6.748 -3.309 402 H VAL 54 HN VAL 54 3.334 -3.719 -1.530 403 HA VAL 54 HA VAL 54 3.695 -2.691 -4.312 404 HB VAL 54 HB VAL 54 3.139 -0.802 -2.727 405 1HG1 VAL 54 HG12 VAL 54 4.308 -1.929 -0.788 406 2HG1 VAL 54 HG11 VAL 54 5.836 -1.439 -1.512 407 3HG1 VAL 54 HG13 VAL 54 4.677 -0.222 -0.985 408 1HG2 VAL 54 HG22 VAL 54 5.892 -0.917 -3.987 409 2HG2 VAL 54 HG21 VAL 54 4.427 -0.234 -4.672 410 3HG2 VAL 54 HG23 VAL 54 5.212 0.554 -3.313 411 H THR 55 HN THR 55 5.863 -2.764 -5.026 412 HA THR 55 HA THR 55 7.812 -4.106 -3.217 413 HB THR 55 HB THR 55 7.440 -5.064 -6.069 414 HG1 THR 55 HG1 THR 55 5.535 -5.080 -4.522 415 1HG2 THR 55 HG23 THR 55 9.224 -5.743 -3.959 416 2HG2 THR 55 HG22 THR 55 8.014 -7.022 -4.002 417 3HG2 THR 55 HG21 THR 55 8.956 -6.652 -5.438 418 H GLU 56 HN GLU 56 9.563 -2.822 -3.211 419 HA GLU 56 HA GLU 56 10.086 -0.769 -5.109 420 1HB GLU 56 HB2 GLU 56 11.157 -1.498 -2.699 421 2HB GLU 56 HB1 GLU 56 12.465 -1.906 -3.796 422 1HG GLU 56 HG2 GLU 56 12.082 0.433 -4.829 423 2HG GLU 56 HG1 GLU 56 11.129 0.777 -3.388 Start of MODEL 49 Raw file had 423 H/Q atoms Entry Start of MODEL 49 1 1H MET 1 HT3 MET 1 -13.489 -0.268 5.972 2 2H MET 1 HT2 MET 1 -14.919 0.474 5.431 3 3H MET 1 HT1 MET 1 -14.608 -1.151 5.051 4 HA MET 1 HA MET 1 -13.554 -0.582 3.216 5 1HB MET 1 HB2 MET 1 -13.993 2.292 4.071 6 2HB MET 1 HB1 MET 1 -13.659 1.730 2.438 7 1HG MET 1 HG2 MET 1 -15.896 1.654 2.204 8 2HG MET 1 HG1 MET 1 -15.777 0.159 3.092 9 1HE MET 1 HE3 MET 1 -16.769 3.759 2.922 10 2HE MET 1 HE2 MET 1 -18.109 2.664 2.582 11 3HE MET 1 HE1 MET 1 -18.188 3.752 3.968 12 H THR 2 HN THR 2 -11.699 -1.448 4.615 13 HA THR 2 HA THR 2 -9.483 0.535 4.462 14 HB THR 2 HB THR 2 -9.827 -1.313 6.856 15 HG1 THR 2 HG1 THR 2 -11.361 0.132 7.218 16 1HG2 THR 2 HG21 THR 2 -7.586 0.036 6.007 17 2HG2 THR 2 HG23 THR 2 -8.379 1.274 6.975 18 3HG2 THR 2 HG22 THR 2 -7.950 -0.270 7.703 19 OH TYR 3 OH TYR 3 -11.639 -0.057 -1.111 20 H TYR 3 HN TYR 3 -7.881 -0.307 3.271 21 HA TYR 3 HA TYR 3 -7.797 -3.265 2.920 22 1HB TYR 3 HB2 TYR 3 -6.159 -1.253 1.379 23 2HB TYR 3 HB1 TYR 3 -6.592 -2.891 0.910 24 HD1 TYR 3 HD1 TYR 3 -8.014 0.488 1.546 25 HD2 TYR 3 HD2 TYR 3 -8.651 -3.330 -0.205 26 HE1 TYR 3 HE1 TYR 3 -10.040 1.328 0.449 27 HE2 TYR 3 HE2 TYR 3 -10.679 -2.497 -1.297 28 HH TYR 3 HH TYR 3 -11.371 0.532 -1.822 29 H LYS 4 HN LYS 4 -5.573 -4.229 2.743 30 HA LYS 4 HA LYS 4 -3.847 -3.125 4.930 31 1HB LYS 4 HB2 LYS 4 -5.052 -5.522 4.924 32 2HB LYS 4 HB1 LYS 4 -3.614 -5.955 4.018 33 1HG LYS 4 HG2 LYS 4 -2.394 -4.608 5.976 34 2HG LYS 4 HG1 LYS 4 -3.849 -5.057 6.859 35 1HD LYS 4 HD2 LYS 4 -3.379 -7.446 5.840 36 2HD LYS 4 HD1 LYS 4 -1.739 -6.832 5.665 37 1HE LYS 4 HE2 LYS 4 -1.629 -7.709 7.818 38 2HE LYS 4 HE1 LYS 4 -2.106 -6.055 8.175 39 1HZ LYS 4 HZ1 LYS 4 -4.455 -7.379 7.710 40 2HZ LYS 4 HZ3 LYS 4 -3.527 -8.477 8.616 41 3HZ LYS 4 HZ2 LYS 4 -3.832 -6.920 9.222 42 H LEU 5 HN LEU 5 -1.937 -2.339 4.271 43 HA LEU 5 HA LEU 5 -1.001 -2.959 1.545 44 1HB LEU 5 HB2 LEU 5 -0.876 -0.634 2.144 45 2HB LEU 5 HB1 LEU 5 -0.109 -0.995 3.682 46 HG LEU 5 HG LEU 5 1.926 -1.830 2.382 47 1HD1 LEU 5 HD12 LEU 5 0.423 -0.577 0.061 48 2HD1 LEU 5 HD11 LEU 5 2.085 -1.147 0.010 49 3HD1 LEU 5 HD13 LEU 5 0.772 -2.293 0.231 50 1HD2 LEU 5 HD23 LEU 5 1.642 0.513 3.316 51 2HD2 LEU 5 HD22 LEU 5 2.778 0.367 1.978 52 3HD2 LEU 5 HD21 LEU 5 1.166 1.007 1.697 53 H ILE 6 HN ILE 6 1.023 -3.859 1.091 54 HA ILE 6 HA ILE 6 2.464 -5.127 3.339 55 HB ILE 6 HB ILE 6 1.575 -6.332 0.731 56 1HG1 ILE 6 HG12 ILE 6 1.586 -7.360 3.596 57 2HG1 ILE 6 HG11 ILE 6 0.213 -6.560 2.848 58 1HG2 ILE 6 HG22 ILE 6 3.975 -7.020 2.433 59 2HG2 ILE 6 HG21 ILE 6 3.151 -8.274 1.514 60 3HG2 ILE 6 HG23 ILE 6 3.871 -6.906 0.679 61 1HD1 ILE 6 HD3 ILE 6 0.719 -8.468 0.969 62 2HD1 ILE 6 HD2 ILE 6 1.261 -9.309 2.417 63 3HD1 ILE 6 HD1 ILE 6 -0.389 -8.711 2.313 64 H LEU 7 HN LEU 7 4.227 -3.852 3.424 65 HA LEU 7 HA LEU 7 5.458 -2.767 1.016 66 1HB LEU 7 HB2 LEU 7 6.180 -2.682 3.936 67 2HB LEU 7 HB1 LEU 7 7.204 -1.968 2.696 68 HG LEU 7 HG LEU 7 4.295 -1.295 2.622 69 1HD1 LEU 7 HD12 LEU 7 6.256 -0.366 4.729 70 2HD1 LEU 7 HD11 LEU 7 4.880 0.623 4.252 71 3HD1 LEU 7 HD13 LEU 7 4.617 -0.968 4.959 72 1HD2 LEU 7 HD22 LEU 7 6.272 -0.516 1.071 73 2HD2 LEU 7 HD21 LEU 7 5.079 0.667 1.595 74 3HD2 LEU 7 HD23 LEU 7 6.643 0.578 2.399 75 H ASN 8 HN ASN 8 6.646 -4.012 -0.287 76 HA ASN 8 HA ASN 8 8.366 -6.113 0.954 77 1HB ASN 8 HB2 ASN 8 6.851 -5.875 -1.554 78 2HB ASN 8 HB1 ASN 8 8.478 -6.484 -1.784 79 1HD2 ASN 8 HD22 ASN 8 5.740 -8.989 -0.522 80 2HD2 ASN 8 HD21 ASN 8 5.455 -7.568 -1.394 81 H GLY 9 HN GLY 9 9.137 -3.441 1.203 82 1HA GLY 9 HA2 GLY 9 10.811 -2.394 -0.808 83 2HA GLY 9 HA1 GLY 9 11.056 -2.109 0.909 84 H LYS 10 HN LYS 10 12.979 -2.612 -1.289 85 HA LYS 10 HA LYS 10 14.093 -5.223 -1.139 86 1HB LYS 10 HB2 LYS 10 14.684 -3.366 -2.781 87 2HB LYS 10 HB1 LYS 10 15.687 -2.684 -1.506 88 1HG LYS 10 HG2 LYS 10 16.743 -5.043 -1.339 89 2HG LYS 10 HG1 LYS 10 15.985 -5.349 -2.898 90 1HD LYS 10 HD2 LYS 10 17.092 -3.083 -3.601 91 2HD LYS 10 HD1 LYS 10 18.130 -3.349 -2.205 92 1HE LYS 10 HE2 LYS 10 19.301 -4.390 -3.979 93 2HE LYS 10 HE1 LYS 10 18.489 -5.727 -3.175 94 1HZ LYS 10 HZ2 LYS 10 16.668 -5.452 -4.822 95 2HZ LYS 10 HZ1 LYS 10 17.649 -4.345 -5.656 96 3HZ LYS 10 HZ3 LYS 10 18.146 -5.959 -5.487 97 H THR 11 HN THR 11 15.164 -2.270 0.532 98 HA THR 11 HA THR 11 16.612 -3.965 2.488 99 HB THR 11 HB THR 11 17.291 -1.473 3.243 100 HG1 THR 11 HG1 THR 11 15.627 -1.145 1.272 101 1HG2 THR 11 HG22 THR 11 18.811 -3.210 2.133 102 2HG2 THR 11 HG21 THR 11 18.250 -2.586 0.584 103 3HG2 THR 11 HG23 THR 11 19.151 -1.542 1.680 104 H LEU 12 HN LEU 12 13.561 -3.055 2.215 105 HA LEU 12 HA LEU 12 13.207 -2.944 5.149 106 1HB LEU 12 HB2 LEU 12 13.444 -0.560 4.202 107 2HB LEU 12 HB1 LEU 12 11.870 -0.833 3.464 108 HG LEU 12 HG LEU 12 11.361 -1.694 5.994 109 1HD1 LEU 12 HD12 LEU 12 13.749 -0.974 6.591 110 2HD1 LEU 12 HD11 LEU 12 13.206 0.684 6.352 111 3HD1 LEU 12 HD13 LEU 12 12.474 -0.311 7.608 112 1HD2 LEU 12 HD21 LEU 12 11.257 1.142 4.914 113 2HD2 LEU 12 HD23 LEU 12 9.994 -0.079 4.786 114 3HD2 LEU 12 HD22 LEU 12 10.401 0.606 6.356 115 H LYS 13 HN LYS 13 11.231 -3.716 5.830 116 HA LYS 13 HA LYS 13 9.171 -4.300 3.776 117 1HB LYS 13 HB2 LYS 13 10.481 -6.367 5.550 118 2HB LYS 13 HB1 LYS 13 8.959 -6.642 4.718 119 1HG LYS 13 HG2 LYS 13 10.075 -6.167 2.549 120 2HG LYS 13 HG1 LYS 13 11.597 -5.922 3.392 121 1HD LYS 13 HD2 LYS 13 10.134 -8.480 3.902 122 2HD LYS 13 HD1 LYS 13 10.952 -8.301 2.355 123 1HE LYS 13 HE2 LYS 13 13.070 -7.992 3.383 124 2HE LYS 13 HE1 LYS 13 12.352 -7.653 4.952 125 1HZ LYS 13 HZ3 LYS 13 11.427 -10.128 4.362 126 2HZ LYS 13 HZ2 LYS 13 13.012 -10.167 3.752 127 3HZ LYS 13 HZ1 LYS 13 12.739 -9.778 5.383 128 H GLY 14 HN GLY 14 7.129 -4.087 4.558 129 1HA GLY 14 HA2 GLY 14 6.544 -4.382 7.403 130 2HA GLY 14 HA1 GLY 14 6.506 -2.708 6.863 131 H GLU 15 HN GLU 15 4.229 -2.865 7.527 132 HA GLU 15 HA GLU 15 2.482 -3.199 5.278 133 1HB GLU 15 HB2 GLU 15 1.132 -5.101 6.146 134 2HB GLU 15 HB1 GLU 15 2.765 -5.591 5.719 135 1HG GLU 15 HG2 GLU 15 2.969 -4.762 8.390 136 2HG GLU 15 HG1 GLU 15 1.450 -5.651 8.320 137 H THR 16 HN THR 16 0.692 -1.982 5.634 138 HA THR 16 HA THR 16 -0.264 -1.567 8.404 139 HB THR 16 HB THR 16 1.366 0.251 8.230 140 HG1 THR 16 HG1 THR 16 -0.126 1.695 8.798 141 1HG2 THR 16 HG22 THR 16 0.812 0.189 5.490 142 2HG2 THR 16 HG21 THR 16 -0.003 1.651 6.037 143 3HG2 THR 16 HG23 THR 16 1.725 1.452 6.310 144 H THR 17 HN THR 17 -2.374 -0.615 8.501 145 HA THR 17 HA THR 17 -3.889 -0.964 5.945 146 HB THR 17 HB THR 17 -5.752 -1.682 7.249 147 HG1 THR 17 HG1 THR 17 -4.484 0.069 8.983 148 1HG2 THR 17 HG22 THR 17 -3.356 -2.959 7.742 149 2HG2 THR 17 HG21 THR 17 -3.831 -2.472 9.365 150 3HG2 THR 17 HG23 THR 17 -4.899 -3.489 8.403 151 H THR 18 HN THR 18 -5.182 0.646 5.179 152 HA THR 18 HA THR 18 -5.450 3.130 6.817 153 HB THR 18 HB THR 18 -3.573 3.193 4.962 154 HG1 THR 18 HG1 THR 18 -5.176 4.861 6.113 155 1HG2 THR 18 HG22 THR 18 -5.445 2.335 3.254 156 2HG2 THR 18 HG21 THR 18 -5.911 4.031 3.265 157 3HG2 THR 18 HG23 THR 18 -4.292 3.565 2.753 158 H GLU 19 HN GLU 19 -7.327 4.319 6.438 159 HA GLU 19 HA GLU 19 -9.523 2.786 5.224 160 1HB GLU 19 HB2 GLU 19 -9.875 3.962 7.360 161 2HB GLU 19 HB1 GLU 19 -9.505 5.497 6.583 162 1HG GLU 19 HG2 GLU 19 -11.561 3.953 5.157 163 2HG GLU 19 HG1 GLU 19 -12.036 4.389 6.796 164 H ALA 20 HN ALA 20 -10.361 3.137 3.248 165 HA ALA 20 HA ALA 20 -9.792 5.721 1.878 166 1HB ALA 20 HB2 ALA 20 -8.690 3.112 1.190 167 2HB ALA 20 HB1 ALA 20 -9.592 3.817 -0.147 168 3HB ALA 20 HB3 ALA 20 -8.253 4.702 0.577 169 H VAL 21 HN VAL 21 -11.500 6.483 0.766 170 HA VAL 21 HA VAL 21 -14.036 5.090 0.929 171 HB VAL 21 HB VAL 21 -13.617 7.637 0.887 172 1HG1 VAL 21 HG12 VAL 21 -12.271 7.306 -1.332 173 2HG1 VAL 21 HG11 VAL 21 -13.856 7.263 -2.098 174 3HG1 VAL 21 HG13 VAL 21 -13.349 8.694 -1.206 175 1HG2 VAL 21 HG23 VAL 21 -15.749 6.051 -0.465 176 2HG2 VAL 21 HG22 VAL 21 -15.877 7.178 0.881 177 3HG2 VAL 21 HG21 VAL 21 -15.749 7.786 -0.767 178 H ASP 22 HN ASP 22 -11.490 5.258 -1.392 179 HA ASP 22 HA ASP 22 -12.932 3.323 -3.093 180 1HB ASP 22 HB2 ASP 22 -12.537 4.640 -5.150 181 2HB ASP 22 HB1 ASP 22 -13.585 5.506 -4.029 182 H ALA 23 HN ALA 23 -11.423 2.671 -4.982 183 HA ALA 23 HA ALA 23 -8.908 1.831 -3.810 184 1HB ALA 23 HB2 ALA 23 -10.177 1.534 -6.523 185 2HB ALA 23 HB1 ALA 23 -8.516 1.022 -6.248 186 3HB ALA 23 HB3 ALA 23 -9.827 0.286 -5.331 187 H ALA 24 HN ALA 24 -9.922 4.544 -5.637 188 HA ALA 24 HA ALA 24 -7.337 5.180 -6.801 189 1HB ALA 24 HB3 ALA 24 -9.669 6.005 -7.549 190 2HB ALA 24 HB2 ALA 24 -9.521 7.182 -6.247 191 3HB ALA 24 HB1 ALA 24 -8.352 7.174 -7.564 192 H THR 25 HN THR 25 -9.192 6.577 -4.098 193 HA THR 25 HA THR 25 -7.107 8.320 -3.230 194 HB THR 25 HB THR 25 -9.661 8.214 -2.508 195 HG1 THR 25 HG1 THR 25 -8.187 9.782 -1.851 196 1HG2 THR 25 HG23 THR 25 -9.103 5.904 -1.322 197 2HG2 THR 25 HG22 THR 25 -8.378 6.940 -0.097 198 3HG2 THR 25 HG21 THR 25 -10.090 7.089 -0.475 199 H ALA 26 HN ALA 26 -7.707 4.935 -2.690 200 HA ALA 26 HA ALA 26 -5.969 4.610 -0.421 201 1HB ALA 26 HB3 ALA 26 -7.638 2.909 -1.108 202 2HB ALA 26 HB2 ALA 26 -6.692 2.586 -2.558 203 3HB ALA 26 HB1 ALA 26 -6.024 2.220 -0.970 204 H GLU 27 HN GLU 27 -5.459 4.525 -3.902 205 HA GLU 27 HA GLU 27 -2.792 3.538 -3.909 206 1HB GLU 27 HB2 GLU 27 -4.464 5.156 -5.775 207 2HB GLU 27 HB1 GLU 27 -2.731 5.119 -6.060 208 1HG GLU 27 HG2 GLU 27 -2.785 2.642 -6.068 209 2HG GLU 27 HG1 GLU 27 -4.520 2.684 -5.780 210 H LYS 28 HN LYS 28 -3.979 6.899 -3.857 211 HA LYS 28 HA LYS 28 -1.284 7.967 -3.633 212 1HB LYS 28 HB2 LYS 28 -2.253 10.051 -3.810 213 2HB LYS 28 HB1 LYS 28 -3.542 9.077 -4.502 214 1HG LYS 28 HG2 LYS 28 -4.475 8.909 -2.099 215 2HG LYS 28 HG1 LYS 28 -3.365 10.221 -1.705 216 1HD LYS 28 HD2 LYS 28 -4.486 11.201 -3.983 217 2HD LYS 28 HD1 LYS 28 -5.835 10.273 -3.343 218 1HE LYS 28 HE2 LYS 28 -5.997 12.484 -2.398 219 2HE LYS 28 HE1 LYS 28 -5.443 11.418 -1.114 220 1HZ LYS 28 HZ2 LYS 28 -3.115 12.130 -1.978 221 2HZ LYS 28 HZ1 LYS 28 -3.961 13.467 -2.596 222 3HZ LYS 28 HZ3 LYS 28 -3.986 13.143 -0.928 223 H VAL 29 HN VAL 29 -3.764 7.023 -1.365 224 HA VAL 29 HA VAL 29 -2.688 8.403 0.916 225 HB VAL 29 HB VAL 29 -4.385 5.913 0.683 226 1HG1 VAL 29 HG11 VAL 29 -3.359 7.418 3.097 227 2HG1 VAL 29 HG13 VAL 29 -4.833 6.458 3.166 228 3HG1 VAL 29 HG12 VAL 29 -3.297 5.685 2.792 229 1HG2 VAL 29 HG23 VAL 29 -5.033 8.513 0.184 230 2HG2 VAL 29 HG22 VAL 29 -6.181 7.338 0.822 231 3HG2 VAL 29 HG21 VAL 29 -5.348 8.438 1.915 232 H PHE 30 HN PHE 30 -2.494 4.936 0.097 233 HA PHE 30 HA PHE 30 -0.485 4.325 2.007 234 1HB PHE 30 HB2 PHE 30 -1.401 3.032 -0.544 235 2HB PHE 30 HB1 PHE 30 0.056 2.439 0.239 236 HD1 PHE 30 HD1 PHE 30 -0.314 2.268 2.993 237 HD2 PHE 30 HD2 PHE 30 -3.331 1.838 0.009 238 HE1 PHE 30 HE1 PHE 30 -1.710 1.007 4.571 239 HE2 PHE 30 HE2 PHE 30 -4.693 0.548 1.589 240 HZ PHE 30 HZ PHE 30 -3.880 0.110 3.861 241 H LYS 31 HN LYS 31 -0.243 5.444 -1.338 242 HA LYS 31 HA LYS 31 2.582 5.140 -1.616 243 1HB LYS 31 HB2 LYS 31 1.060 5.636 -3.508 244 2HB LYS 31 HB1 LYS 31 0.794 7.248 -2.850 245 1HG LYS 31 HG2 LYS 31 3.634 6.697 -3.017 246 2HG LYS 31 HG1 LYS 31 2.874 6.449 -4.585 247 1HD LYS 31 HD2 LYS 31 1.828 8.685 -4.435 248 2HD LYS 31 HD1 LYS 31 2.569 8.931 -2.858 249 1HE LYS 31 HE2 LYS 31 4.760 8.990 -3.774 250 2HE LYS 31 HE1 LYS 31 4.237 8.267 -5.289 251 1HZ LYS 31 HZ3 LYS 31 3.455 10.958 -4.319 252 2HZ LYS 31 HZ2 LYS 31 4.636 10.642 -5.498 253 3HZ LYS 31 HZ1 LYS 31 3.009 10.261 -5.802 254 H GLN 32 HN GLN 32 0.610 7.703 -0.240 255 HA GLN 32 HA GLN 32 2.690 9.621 0.141 256 1HB GLN 32 HB2 GLN 32 0.190 9.992 0.424 257 2HB GLN 32 HB1 GLN 32 0.328 9.186 1.983 258 1HG GLN 32 HG2 GLN 32 2.219 10.881 2.485 259 2HG GLN 32 HG1 GLN 32 1.606 11.781 1.101 260 1HE2 GLN 32 HE22 GLN 32 -1.429 12.737 2.731 261 2HE2 GLN 32 HE21 GLN 32 -0.706 12.493 1.215 262 OH TYR 33 OH TYR 33 5.096 3.032 8.372 263 H TYR 33 HN TYR 33 1.786 6.737 1.847 264 HA TYR 33 HA TYR 33 3.393 7.312 4.211 265 1HB TYR 33 HB2 TYR 33 1.425 5.821 4.325 266 2HB TYR 33 HB1 TYR 33 2.223 4.700 3.226 267 HD1 TYR 33 HD1 TYR 33 4.359 3.585 3.941 268 HD2 TYR 33 HD2 TYR 33 2.014 5.869 6.654 269 HE1 TYR 33 HE1 TYR 33 5.530 2.547 5.824 270 HE2 TYR 33 HE2 TYR 33 3.185 4.830 8.542 271 HH TYR 33 HH TYR 33 4.770 3.432 9.182 272 H ALA 34 HN ALA 34 3.665 4.789 1.723 273 HA ALA 34 HA ALA 34 6.207 3.835 2.280 274 1HB ALA 34 HB2 ALA 34 4.436 3.742 0.068 275 2HB ALA 34 HB1 ALA 34 6.019 4.176 -0.568 276 3HB ALA 34 HB3 ALA 34 5.823 2.703 0.375 277 H ASN 35 HN ASN 35 5.354 6.861 0.738 278 HA ASN 35 HA ASN 35 7.923 7.576 -0.263 279 1HB ASN 35 HB2 ASN 35 5.713 8.759 -0.701 280 2HB ASN 35 HB1 ASN 35 5.903 9.514 0.879 281 1HD2 ASN 35 HD22 ASN 35 7.527 12.020 -1.116 282 2HD2 ASN 35 HD21 ASN 35 6.027 11.579 -0.456 283 H ASP 36 HN ASP 36 6.454 7.996 2.917 284 HA ASP 36 HA ASP 36 8.731 9.476 3.976 285 1HB ASP 36 HB2 ASP 36 6.169 8.393 5.052 286 2HB ASP 36 HB1 ASP 36 7.463 8.706 6.204 287 H ASN 37 HN ASN 37 8.989 6.672 2.798 288 HA ASN 37 HA ASN 37 10.677 5.609 5.011 289 1HB ASN 37 HB2 ASN 37 8.586 4.068 3.464 290 2HB ASN 37 HB1 ASN 37 9.866 3.285 4.388 291 1HD2 ASN 37 HD22 ASN 37 6.617 4.633 6.310 292 2HD2 ASN 37 HD21 ASN 37 6.717 4.516 4.620 293 H GLY 38 HN GLY 38 9.900 5.732 1.599 294 1HA GLY 38 HA2 GLY 38 11.644 5.913 -0.084 295 2HA GLY 38 HA1 GLY 38 12.740 5.065 1.003 296 H VAL 39 HN VAL 39 9.506 4.386 -0.329 297 HA VAL 39 HA VAL 39 10.589 1.871 -1.506 298 HB VAL 39 HB VAL 39 8.096 2.049 0.210 299 1HG1 VAL 39 HG11 VAL 39 9.029 0.144 -1.806 300 2HG1 VAL 39 HG13 VAL 39 8.783 -0.621 -0.240 301 3HG1 VAL 39 HG12 VAL 39 7.461 0.247 -1.012 302 1HG2 VAL 39 HG21 VAL 39 10.762 0.655 0.650 303 2HG2 VAL 39 HG23 VAL 39 10.193 2.077 1.520 304 3HG2 VAL 39 HG22 VAL 39 9.364 0.537 1.715 305 H ASP 40 HN ASP 40 10.362 2.774 -3.573 306 HA ASP 40 HA ASP 40 7.550 2.885 -4.529 307 1HB ASP 40 HB2 ASP 40 9.614 5.059 -4.960 308 2HB ASP 40 HB1 ASP 40 8.101 4.949 -5.855 309 H GLY 41 HN GLY 41 7.293 1.914 -6.453 310 1HA GLY 41 HA2 GLY 41 9.171 1.878 -8.588 311 2HA GLY 41 HA1 GLY 41 9.401 0.407 -7.647 312 H GLU 42 HN GLU 42 7.409 -0.880 -7.229 313 HA GLU 42 HA GLU 42 5.454 -0.666 -9.493 314 1HB GLU 42 HB2 GLU 42 6.179 -3.298 -8.285 315 2HB GLU 42 HB1 GLU 42 5.587 -2.950 -9.904 316 1HG GLU 42 HG2 GLU 42 7.793 -1.741 -10.323 317 2HG GLU 42 HG1 GLU 42 8.362 -2.421 -8.801 318 CH2 TRP 43 CH2 TRP 43 2.244 2.501 -2.220 319 H TRP 43 HN TRP 43 3.359 -0.733 -8.914 320 HA TRP 43 HA TRP 43 2.739 -1.396 -6.058 321 1HB TRP 43 HB2 TRP 43 1.658 0.690 -7.925 322 2HB TRP 43 HB1 TRP 43 0.739 0.172 -6.521 323 HD1 TRP 43 HD1 TRP 43 4.297 1.416 -7.388 324 HE1 TRP 43 HE1 TRP 43 5.095 2.754 -5.381 325 HE3 TRP 43 HE3 TRP 43 0.423 0.669 -4.361 326 HZ2 TRP 43 HZ2 TRP 43 4.150 3.363 -2.636 327 HZ3 TRP 43 HZ3 TRP 43 0.350 1.536 -2.079 328 HH2 TRP 43 HH2 TRP 43 2.211 2.876 -1.209 329 H THR 44 HN THR 44 1.195 -2.850 -5.640 330 HA THR 44 HA THR 44 -0.458 -3.859 -7.922 331 HB THR 44 HB THR 44 -0.200 -6.165 -6.709 332 HG1 THR 44 HG1 THR 44 2.196 -5.631 -5.805 333 1HG2 THR 44 HG22 THR 44 2.095 -4.743 -8.102 334 2HG2 THR 44 HG21 THR 44 2.185 -6.438 -7.637 335 3HG2 THR 44 HG23 THR 44 0.982 -5.910 -8.808 336 OH TYR 45 OH TYR 45 -8.920 -1.275 -2.950 337 H TYR 45 HN TYR 45 -2.556 -4.215 -7.504 338 HA TYR 45 HA TYR 45 -3.539 -3.656 -4.727 339 1HB TYR 45 HB2 TYR 45 -4.196 -2.185 -6.756 340 2HB TYR 45 HB1 TYR 45 -5.174 -3.557 -7.279 341 HD1 TYR 45 HD1 TYR 45 -6.604 -4.562 -4.988 342 HD2 TYR 45 HD2 TYR 45 -5.472 -0.542 -5.764 343 HE1 TYR 45 HE1 TYR 45 -8.347 -3.779 -3.475 344 HE2 TYR 45 HE2 TYR 45 -7.259 0.239 -4.301 345 HH TYR 45 HH TYR 45 -9.571 -1.976 -2.869 346 H ASP 46 HN ASP 46 -4.483 -5.297 -3.658 347 HA ASP 46 HA ASP 46 -5.167 -7.770 -5.193 348 1HB ASP 46 HB2 ASP 46 -3.488 -7.654 -3.137 349 2HB ASP 46 HB1 ASP 46 -4.979 -7.760 -2.212 350 H ASP 47 HN ASP 47 -7.256 -7.214 -5.825 351 HA ASP 47 HA ASP 47 -9.203 -6.280 -3.845 352 1HB ASP 47 HB2 ASP 47 -9.770 -5.425 -5.917 353 2HB ASP 47 HB1 ASP 47 -9.214 -6.859 -6.776 354 H ALA 48 HN ALA 48 -7.907 -9.245 -4.715 355 HA ALA 48 HA ALA 48 -10.291 -10.876 -4.349 356 1HB ALA 48 HB1 ALA 48 -8.046 -11.430 -5.593 357 2HB ALA 48 HB3 ALA 48 -7.507 -11.936 -3.995 358 3HB ALA 48 HB2 ALA 48 -8.904 -12.709 -4.739 359 H THR 49 HN THR 49 -8.171 -9.260 -2.242 360 HA THR 49 HA THR 49 -9.460 -10.590 0.064 361 HB THR 49 HB THR 49 -7.022 -10.750 1.104 362 HG1 THR 49 HG1 THR 49 -6.147 -11.398 -1.366 363 1HG2 THR 49 HG21 THR 49 -8.540 -12.722 0.368 364 2HG2 THR 49 HG23 THR 49 -7.671 -12.661 -1.162 365 3HG2 THR 49 HG22 THR 49 -6.806 -13.018 0.329 366 H LYS 50 HN LYS 50 -8.969 -7.844 -1.357 367 HA LYS 50 HA LYS 50 -8.736 -5.608 -0.666 368 1HB LYS 50 HB2 LYS 50 -9.632 -6.831 1.959 369 2HB LYS 50 HB1 LYS 50 -9.657 -5.114 1.577 370 1HG LYS 50 HG2 LYS 50 -11.747 -5.460 0.767 371 2HG LYS 50 HG1 LYS 50 -10.975 -6.273 -0.588 372 1HD LYS 50 HD2 LYS 50 -12.556 -7.842 0.279 373 2HD LYS 50 HD1 LYS 50 -10.988 -8.392 0.857 374 1HE LYS 50 HE2 LYS 50 -11.792 -6.593 2.821 375 2HE LYS 50 HE1 LYS 50 -13.291 -7.399 2.381 376 1HZ LYS 50 HZ1 LYS 50 -11.664 -9.481 2.525 377 2HZ LYS 50 HZ3 LYS 50 -10.920 -8.467 3.667 378 3HZ LYS 50 HZ2 LYS 50 -12.552 -8.902 3.852 379 H THR 51 HN THR 51 -6.361 -6.474 -0.925 380 HA THR 51 HA THR 51 -4.896 -5.542 1.502 381 HB THR 51 HB THR 51 -4.348 -8.151 0.004 382 HG1 THR 51 HG1 THR 51 -5.024 -7.444 2.677 383 1HG2 THR 51 HG21 THR 51 -2.402 -6.558 1.228 384 2HG2 THR 51 HG23 THR 51 -2.930 -7.614 2.526 385 3HG2 THR 51 HG22 THR 51 -2.305 -8.299 1.034 386 H PHE 52 HN PHE 52 -3.672 -3.848 0.797 387 HA PHE 52 HA PHE 52 -2.994 -3.582 -2.030 388 1HB PHE 52 HB2 PHE 52 -2.979 -1.894 0.326 389 2HB PHE 52 HB1 PHE 52 -1.483 -1.733 -0.584 390 HD1 PHE 52 HD1 PHE 52 -1.556 -1.013 -2.995 391 HD2 PHE 52 HD2 PHE 52 -5.072 -1.198 -0.641 392 HE1 PHE 52 HE1 PHE 52 -2.765 0.343 -4.663 393 HE2 PHE 52 HE2 PHE 52 -6.233 0.248 -2.215 394 HZ PHE 52 HZ PHE 52 -5.068 1.063 -4.205 395 H THR 53 HN THR 53 -0.722 -3.408 -2.757 396 HA THR 53 HA THR 53 1.351 -4.404 -0.942 397 HB THR 53 HB THR 53 0.471 -6.094 -3.313 398 HG1 THR 53 HG1 THR 53 -0.522 -7.189 -1.772 399 1HG2 THR 53 HG22 THR 53 2.876 -6.078 -1.533 400 2HG2 THR 53 HG21 THR 53 2.106 -7.641 -1.789 401 3HG2 THR 53 HG23 THR 53 2.710 -6.723 -3.164 402 H VAL 54 HN VAL 54 3.276 -3.594 -1.507 403 HA VAL 54 HA VAL 54 3.658 -2.696 -4.337 404 HB VAL 54 HB VAL 54 3.134 -0.783 -2.757 405 1HG1 VAL 54 HG13 VAL 54 4.408 -1.923 -0.859 406 2HG1 VAL 54 HG12 VAL 54 5.882 -1.367 -1.640 407 3HG1 VAL 54 HG11 VAL 54 4.700 -0.201 -1.057 408 1HG2 VAL 54 HG22 VAL 54 5.854 -0.929 -4.091 409 2HG2 VAL 54 HG21 VAL 54 4.366 -0.295 -4.776 410 3HG2 VAL 54 HG23 VAL 54 5.164 0.562 -3.466 411 H THR 55 HN THR 55 5.810 -2.821 -5.069 412 HA THR 55 HA THR 55 7.760 -4.144 -3.246 413 HB THR 55 HB THR 55 7.349 -5.176 -6.066 414 HG1 THR 55 HG1 THR 55 6.110 -6.770 -4.563 415 1HG2 THR 55 HG21 THR 55 9.108 -5.851 -3.942 416 2HG2 THR 55 HG23 THR 55 7.842 -7.076 -3.918 417 3HG2 THR 55 HG22 THR 55 8.784 -6.813 -5.376 418 H GLU 56 HN GLU 56 9.403 -2.693 -3.261 419 HA GLU 56 HA GLU 56 9.966 -0.841 -5.346 420 1HB GLU 56 HB2 GLU 56 10.911 -1.212 -2.819 421 2HB GLU 56 HB1 GLU 56 12.285 -1.767 -3.766 422 1HG GLU 56 HG2 GLU 56 12.012 0.389 -5.141 423 2HG GLU 56 HG1 GLU 56 10.931 0.940 -3.864 Start of MODEL 50 Raw file had 423 H/Q atoms Entry Start of MODEL 50 1 1H MET 1 HT3 MET 1 -13.666 -0.733 5.667 2 2H MET 1 HT2 MET 1 -14.614 0.658 5.450 3 3H MET 1 HT1 MET 1 -15.104 -0.818 4.768 4 HA MET 1 HA MET 1 -13.587 -0.737 3.087 5 1HB MET 1 HB2 MET 1 -14.572 1.977 3.822 6 2HB MET 1 HB1 MET 1 -13.325 1.886 2.584 7 1HG MET 1 HG2 MET 1 -15.706 0.068 2.469 8 2HG MET 1 HG1 MET 1 -15.856 1.716 1.920 9 1HE MET 1 HE2 MET 1 -16.573 1.499 -0.305 10 2HE MET 1 HE1 MET 1 -16.001 0.333 -1.499 11 3HE MET 1 HE3 MET 1 -16.827 -0.228 -0.045 12 H THR 2 HN THR 2 -11.752 -1.590 4.380 13 HA THR 2 HA THR 2 -9.536 0.396 4.368 14 HB THR 2 HB THR 2 -9.862 -1.579 6.652 15 HG1 THR 2 HG1 THR 2 -11.409 -0.243 7.213 16 1HG2 THR 2 HG21 THR 2 -7.648 -0.204 5.994 17 2HG2 THR 2 HG23 THR 2 -8.528 1.104 6.777 18 3HG2 THR 2 HG22 THR 2 -8.146 -0.359 7.677 19 OH TYR 3 OH TYR 3 -11.555 0.265 -1.033 20 H TYR 3 HN TYR 3 -7.825 -0.384 3.301 21 HA TYR 3 HA TYR 3 -7.741 -3.322 2.753 22 1HB TYR 3 HB2 TYR 3 -6.097 -1.248 1.323 23 2HB TYR 3 HB1 TYR 3 -6.582 -2.839 0.761 24 HD1 TYR 3 HD1 TYR 3 -7.973 0.492 1.725 25 HD2 TYR 3 HD2 TYR 3 -8.582 -3.096 -0.464 26 HE1 TYR 3 HE1 TYR 3 -9.987 1.453 0.707 27 HE2 TYR 3 HE2 TYR 3 -10.590 -2.136 -1.488 28 HH TYR 3 HH TYR 3 -12.182 -0.447 -1.181 29 H LYS 4 HN LYS 4 -5.584 -4.320 2.674 30 HA LYS 4 HA LYS 4 -3.831 -3.213 4.838 31 1HB LYS 4 HB2 LYS 4 -5.060 -5.591 4.873 32 2HB LYS 4 HB1 LYS 4 -3.650 -6.059 3.940 33 1HG LYS 4 HG2 LYS 4 -2.385 -4.703 5.881 34 2HG LYS 4 HG1 LYS 4 -3.822 -5.167 6.782 35 1HD LYS 4 HD2 LYS 4 -2.011 -7.073 5.262 36 2HD LYS 4 HD1 LYS 4 -2.050 -6.877 7.010 37 1HE LYS 4 HE2 LYS 4 -3.534 -8.630 6.862 38 2HE LYS 4 HE1 LYS 4 -4.679 -7.327 6.574 39 1HZ LYS 4 HZ1 LYS 4 -3.544 -7.892 4.130 40 2HZ LYS 4 HZ3 LYS 4 -3.866 -9.401 4.836 41 3HZ LYS 4 HZ2 LYS 4 -5.116 -8.269 4.644 42 H LEU 5 HN LEU 5 -1.978 -2.354 4.097 43 HA LEU 5 HA LEU 5 -1.016 -3.026 1.405 44 1HB LEU 5 HB2 LEU 5 -0.853 -0.708 2.013 45 2HB LEU 5 HB1 LEU 5 -0.092 -1.091 3.549 46 HG LEU 5 HG LEU 5 1.932 -1.947 2.248 47 1HD1 LEU 5 HD13 LEU 5 0.482 -0.642 -0.080 48 2HD1 LEU 5 HD12 LEU 5 2.117 -1.289 -0.118 49 3HD1 LEU 5 HD11 LEU 5 0.751 -2.371 0.089 50 1HD2 LEU 5 HD22 LEU 5 1.654 0.412 3.181 51 2HD2 LEU 5 HD21 LEU 5 2.825 0.232 1.880 52 3HD2 LEU 5 HD23 LEU 5 1.234 0.902 1.545 53 H ILE 6 HN ILE 6 1.018 -3.924 0.949 54 HA ILE 6 HA ILE 6 2.398 -5.277 3.185 55 HB ILE 6 HB ILE 6 1.585 -6.354 0.503 56 1HG1 ILE 6 HG12 ILE 6 1.542 -7.519 3.313 57 2HG1 ILE 6 HG11 ILE 6 0.179 -6.698 2.571 58 1HG2 ILE 6 HG22 ILE 6 3.950 -7.119 2.221 59 2HG2 ILE 6 HG21 ILE 6 3.159 -8.322 1.211 60 3HG2 ILE 6 HG23 ILE 6 3.889 -6.904 0.475 61 1HD1 ILE 6 HD1 ILE 6 0.749 -8.509 0.618 62 2HD1 ILE 6 HD3 ILE 6 1.265 -9.413 2.038 63 3HD1 ILE 6 HD2 ILE 6 -0.387 -8.824 1.923 64 H LEU 7 HN LEU 7 4.179 -4.043 3.394 65 HA LEU 7 HA LEU 7 5.486 -2.845 1.081 66 1HB LEU 7 HB2 LEU 7 6.119 -2.910 4.021 67 2HB LEU 7 HB1 LEU 7 7.193 -2.155 2.849 68 HG LEU 7 HG LEU 7 4.336 -1.409 2.602 69 1HD1 LEU 7 HD11 LEU 7 6.032 -0.517 4.959 70 2HD1 LEU 7 HD13 LEU 7 4.488 0.194 4.500 71 3HD1 LEU 7 HD12 LEU 7 4.559 -1.477 5.055 72 1HD2 LEU 7 HD21 LEU 7 6.180 -0.414 1.254 73 2HD2 LEU 7 HD23 LEU 7 5.354 0.802 2.225 74 3HD2 LEU 7 HD22 LEU 7 6.921 0.181 2.737 75 H ASN 8 HN ASN 8 6.694 -4.037 -0.253 76 HA ASN 8 HA ASN 8 8.344 -6.228 0.924 77 1HB ASN 8 HB2 ASN 8 6.835 -5.887 -1.551 78 2HB ASN 8 HB1 ASN 8 8.477 -6.413 -1.855 79 1HD2 ASN 8 HD22 ASN 8 5.911 -9.144 -0.820 80 2HD2 ASN 8 HD21 ASN 8 5.587 -7.705 -1.648 81 H GLY 9 HN GLY 9 9.089 -3.514 1.225 82 1HA GLY 9 HA2 GLY 9 10.886 -2.545 -0.740 83 2HA GLY 9 HA1 GLY 9 10.992 -2.150 0.969 84 H LYS 10 HN LYS 10 13.075 -2.788 -1.059 85 HA LYS 10 HA LYS 10 14.183 -5.377 -0.608 86 1HB LYS 10 HB2 LYS 10 15.250 -2.749 -1.554 87 2HB LYS 10 HB1 LYS 10 16.398 -4.010 -1.128 88 1HG LYS 10 HG2 LYS 10 14.066 -4.767 -2.851 89 2HG LYS 10 HG1 LYS 10 15.355 -3.843 -3.600 90 1HD LYS 10 HD2 LYS 10 15.786 -6.406 -2.015 91 2HD LYS 10 HD1 LYS 10 15.660 -6.350 -3.766 92 1HE LYS 10 HE2 LYS 10 17.936 -5.662 -2.040 93 2HE LYS 10 HE1 LYS 10 17.917 -6.062 -3.750 94 1HZ LYS 10 HZ2 LYS 10 17.093 -3.767 -4.154 95 2HZ LYS 10 HZ1 LYS 10 17.391 -3.423 -2.517 96 3HZ LYS 10 HZ3 LYS 10 18.675 -3.855 -3.541 97 H THR 11 HN THR 11 15.175 -2.275 0.834 98 HA THR 11 HA THR 11 16.563 -3.756 2.981 99 HB THR 11 HB THR 11 17.029 -1.185 3.634 100 HG1 THR 11 HG1 THR 11 15.803 -0.169 2.174 101 1HG2 THR 11 HG22 THR 11 18.727 -2.856 2.698 102 2HG2 THR 11 HG21 THR 11 18.196 -2.375 1.090 103 3HG2 THR 11 HG23 THR 11 18.964 -1.199 2.152 104 H LEU 12 HN LEU 12 13.473 -3.022 2.495 105 HA LEU 12 HA LEU 12 12.935 -2.883 5.393 106 1HB LEU 12 HB2 LEU 12 13.128 -0.502 4.640 107 2HB LEU 12 HB1 LEU 12 11.818 -0.792 3.507 108 HG LEU 12 HG LEU 12 10.337 -1.435 5.419 109 1HD1 LEU 12 HD13 LEU 12 12.894 -0.964 6.906 110 2HD1 LEU 12 HD12 LEU 12 11.395 -0.480 7.690 111 3HD1 LEU 12 HD11 LEU 12 11.633 -2.155 7.204 112 1HD2 LEU 12 HD21 LEU 12 10.617 0.957 4.510 113 2HD2 LEU 12 HD23 LEU 12 9.903 0.805 6.113 114 3HD2 LEU 12 HD22 LEU 12 11.594 1.265 5.942 115 H LYS 13 HN LYS 13 11.103 -3.960 5.926 116 HA LYS 13 HA LYS 13 9.097 -4.503 3.796 117 1HB LYS 13 HB2 LYS 13 10.362 -6.637 5.538 118 2HB LYS 13 HB1 LYS 13 9.023 -6.896 4.432 119 1HG LYS 13 HG2 LYS 13 10.454 -6.173 2.536 120 2HG LYS 13 HG1 LYS 13 11.790 -5.918 3.650 121 1HD LYS 13 HD2 LYS 13 12.035 -8.112 2.591 122 2HD LYS 13 HD1 LYS 13 11.688 -8.321 4.302 123 1HE LYS 13 HE2 LYS 13 9.543 -9.120 3.911 124 2HE LYS 13 HE1 LYS 13 9.369 -8.227 2.406 125 1HZ LYS 13 HZ2 LYS 13 11.142 -10.574 2.780 126 2HZ LYS 13 HZ1 LYS 13 9.599 -10.624 2.072 127 3HZ LYS 13 HZ3 LYS 13 10.848 -9.749 1.324 128 H GLY 14 HN GLY 14 7.035 -4.381 4.547 129 1HA GLY 14 HA2 GLY 14 6.370 -4.977 7.317 130 2HA GLY 14 HA1 GLY 14 6.356 -3.249 6.988 131 H GLU 15 HN GLU 15 4.095 -3.286 7.471 132 HA GLU 15 HA GLU 15 2.411 -3.453 5.174 133 1HB GLU 15 HB2 GLU 15 0.932 -5.328 5.981 134 2HB GLU 15 HB1 GLU 15 2.522 -5.861 5.451 135 1HG GLU 15 HG2 GLU 15 2.739 -5.180 8.217 136 2HG GLU 15 HG1 GLU 15 1.307 -6.187 8.035 137 H THR 16 HN THR 16 0.721 -2.115 5.531 138 HA THR 16 HA THR 16 -0.260 -1.752 8.316 139 HB THR 16 HB THR 16 1.385 0.042 8.163 140 HG1 THR 16 HG1 THR 16 -0.452 0.814 9.046 141 1HG2 THR 16 HG22 THR 16 0.840 -0.022 5.406 142 2HG2 THR 16 HG21 THR 16 0.121 1.488 5.955 143 3HG2 THR 16 HG23 THR 16 1.832 1.177 6.228 144 H THR 17 HN THR 17 -2.356 -0.825 8.448 145 HA THR 17 HA THR 17 -3.894 -1.104 5.901 146 HB THR 17 HB THR 17 -5.753 -1.835 7.201 147 HG1 THR 17 HG1 THR 17 -4.311 -0.621 9.342 148 1HG2 THR 17 HG21 THR 17 -3.327 -3.110 7.709 149 2HG2 THR 17 HG23 THR 17 -3.896 -2.702 9.322 150 3HG2 THR 17 HG22 THR 17 -4.895 -3.687 8.259 151 H THR 18 HN THR 18 -5.078 0.555 5.126 152 HA THR 18 HA THR 18 -5.327 3.015 6.813 153 HB THR 18 HB THR 18 -3.537 3.069 4.873 154 HG1 THR 18 HG1 THR 18 -3.891 5.096 5.355 155 1HG2 THR 18 HG23 THR 18 -5.501 2.232 3.251 156 2HG2 THR 18 HG22 THR 18 -5.936 3.936 3.282 157 3HG2 THR 18 HG21 THR 18 -4.349 3.444 2.702 158 H GLU 19 HN GLU 19 -7.186 4.275 6.445 159 HA GLU 19 HA GLU 19 -9.454 2.730 5.368 160 1HB GLU 19 HB2 GLU 19 -9.556 4.006 7.549 161 2HB GLU 19 HB1 GLU 19 -9.493 5.490 6.604 162 1HG GLU 19 HG2 GLU 19 -11.528 4.780 5.370 163 2HG GLU 19 HG1 GLU 19 -11.598 3.313 6.343 164 H ALA 20 HN ALA 20 -10.132 2.948 3.346 165 HA ALA 20 HA ALA 20 -9.877 5.596 2.009 166 1HB ALA 20 HB1 ALA 20 -8.465 3.125 1.304 167 2HB ALA 20 HB3 ALA 20 -9.355 3.827 -0.042 168 3HB ALA 20 HB2 ALA 20 -8.141 4.779 0.804 169 H VAL 21 HN VAL 21 -11.705 6.145 0.989 170 HA VAL 21 HA VAL 21 -13.994 4.382 1.039 171 HB VAL 21 HB VAL 21 -14.435 6.717 1.216 172 1HG1 VAL 21 HG12 VAL 21 -12.438 6.841 -0.970 173 2HG1 VAL 21 HG11 VAL 21 -13.766 7.987 -1.112 174 3HG1 VAL 21 HG13 VAL 21 -12.751 7.989 0.326 175 1HG2 VAL 21 HG22 VAL 21 -15.897 5.263 -0.370 176 2HG2 VAL 21 HG21 VAL 21 -16.073 7.012 -0.471 177 3HG2 VAL 21 HG23 VAL 21 -15.115 6.151 -1.672 178 H ASP 22 HN ASP 22 -11.534 5.097 -1.302 179 HA ASP 22 HA ASP 22 -12.728 3.058 -3.099 180 1HB ASP 22 HB2 ASP 22 -12.629 4.438 -5.045 181 2HB ASP 22 HB1 ASP 22 -13.434 5.407 -3.814 182 H ALA 23 HN ALA 23 -11.139 2.601 -4.955 183 HA ALA 23 HA ALA 23 -8.593 1.903 -3.767 184 1HB ALA 23 HB3 ALA 23 -9.865 1.580 -6.457 185 2HB ALA 23 HB2 ALA 23 -8.128 1.330 -6.307 186 3HB ALA 23 HB1 ALA 23 -9.246 0.348 -5.364 187 H ALA 24 HN ALA 24 -9.687 4.378 -6.012 188 HA ALA 24 HA ALA 24 -7.184 5.321 -6.924 189 1HB ALA 24 HB3 ALA 24 -9.751 6.066 -7.355 190 2HB ALA 24 HB2 ALA 24 -9.227 7.379 -6.306 191 3HB ALA 24 HB1 ALA 24 -8.372 7.062 -7.812 192 H THR 25 HN THR 25 -9.091 6.551 -4.174 193 HA THR 25 HA THR 25 -7.032 8.311 -3.238 194 HB THR 25 HB THR 25 -9.617 8.136 -2.576 195 HG1 THR 25 HG1 THR 25 -8.106 9.729 -1.947 196 1HG2 THR 25 HG23 THR 25 -9.042 5.862 -1.364 197 2HG2 THR 25 HG22 THR 25 -8.295 6.905 -0.156 198 3HG2 THR 25 HG21 THR 25 -10.014 7.050 -0.504 199 H ALA 26 HN ALA 26 -7.557 4.914 -2.885 200 HA ALA 26 HA ALA 26 -5.877 4.557 -0.551 201 1HB ALA 26 HB2 ALA 26 -7.609 2.911 -1.304 202 2HB ALA 26 HB1 ALA 26 -6.581 2.526 -2.678 203 3HB ALA 26 HB3 ALA 26 -6.027 2.187 -1.041 204 H GLU 27 HN GLU 27 -5.377 4.401 -4.035 205 HA GLU 27 HA GLU 27 -2.743 3.361 -4.050 206 1HB GLU 27 HB2 GLU 27 -4.260 5.179 -5.907 207 2HB GLU 27 HB1 GLU 27 -2.585 4.761 -6.229 208 1HG GLU 27 HG2 GLU 27 -3.188 2.343 -6.110 209 2HG GLU 27 HG1 GLU 27 -4.872 2.797 -5.864 210 H LYS 28 HN LYS 28 -3.809 6.760 -4.050 211 HA LYS 28 HA LYS 28 -1.094 7.763 -3.823 212 1HB LYS 28 HB2 LYS 28 -2.137 9.951 -3.557 213 2HB LYS 28 HB1 LYS 28 -2.935 9.069 -4.853 214 1HG LYS 28 HG2 LYS 28 -4.647 8.302 -3.138 215 2HG LYS 28 HG1 LYS 28 -3.918 9.439 -2.009 216 1HD LYS 28 HD2 LYS 28 -4.264 10.949 -4.328 217 2HD LYS 28 HD1 LYS 28 -5.717 9.960 -4.260 218 1HE LYS 28 HE2 LYS 28 -4.656 11.843 -2.139 219 2HE LYS 28 HE1 LYS 28 -6.197 11.931 -2.981 220 1HZ LYS 28 HZ2 LYS 28 -6.233 9.468 -1.852 221 2HZ LYS 28 HZ1 LYS 28 -5.465 10.414 -0.668 222 3HZ LYS 28 HZ3 LYS 28 -7.004 10.851 -1.239 223 H VAL 29 HN VAL 29 -3.675 7.064 -1.530 224 HA VAL 29 HA VAL 29 -2.541 8.388 0.730 225 HB VAL 29 HB VAL 29 -4.361 5.999 0.472 226 1HG1 VAL 29 HG11 VAL 29 -3.146 7.266 2.929 227 2HG1 VAL 29 HG13 VAL 29 -4.715 6.472 3.002 228 3HG1 VAL 29 HG12 VAL 29 -3.285 5.556 2.538 229 1HG2 VAL 29 HG21 VAL 29 -4.909 8.586 0.058 230 2HG2 VAL 29 HG23 VAL 29 -6.066 7.524 0.854 231 3HG2 VAL 29 HG22 VAL 29 -5.041 8.584 1.814 232 H PHE 30 HN PHE 30 -2.451 4.893 0.001 233 HA PHE 30 HA PHE 30 -0.486 4.246 1.939 234 1HB PHE 30 HB2 PHE 30 -1.412 2.970 -0.608 235 2HB PHE 30 HB1 PHE 30 0.058 2.361 0.145 236 HD1 PHE 30 HD1 PHE 30 -0.234 2.148 2.880 237 HD2 PHE 30 HD2 PHE 30 -3.364 1.842 0.003 238 HE1 PHE 30 HE1 PHE 30 -1.601 0.886 4.485 239 HE2 PHE 30 HE2 PHE 30 -4.703 0.568 1.611 240 HZ PHE 30 HZ PHE 30 -3.819 0.054 3.839 241 H LYS 31 HN LYS 31 -0.170 5.462 -1.343 242 HA LYS 31 HA LYS 31 2.654 5.066 -1.607 243 1HB LYS 31 HB2 LYS 31 1.124 5.644 -3.491 244 2HB LYS 31 HB1 LYS 31 0.972 7.269 -2.827 245 1HG LYS 31 HG2 LYS 31 3.355 7.665 -3.102 246 2HG LYS 31 HG1 LYS 31 3.622 5.991 -3.576 247 1HD LYS 31 HD2 LYS 31 1.553 7.231 -5.211 248 2HD LYS 31 HD1 LYS 31 3.059 8.139 -5.294 249 1HE LYS 31 HE2 LYS 31 3.014 6.364 -7.012 250 2HE LYS 31 HE1 LYS 31 4.285 6.059 -5.835 251 1HZ LYS 31 HZ3 LYS 31 2.057 4.836 -4.813 252 2HZ LYS 31 HZ2 LYS 31 2.008 4.486 -6.474 253 3HZ LYS 31 HZ1 LYS 31 3.379 4.077 -5.559 254 H GLN 32 HN GLN 32 0.738 7.758 -0.351 255 HA GLN 32 HA GLN 32 2.860 9.576 0.121 256 1HB GLN 32 HB2 GLN 32 0.483 10.187 0.361 257 2HB GLN 32 HB1 GLN 32 0.353 9.140 1.770 258 1HG GLN 32 HG2 GLN 32 1.930 10.496 3.011 259 2HG GLN 32 HG1 GLN 32 2.321 11.442 1.578 260 1HE2 GLN 32 HE22 GLN 32 -0.060 13.663 3.113 261 2HE2 GLN 32 HE21 GLN 32 1.597 13.295 3.065 262 OH TYR 33 OH TYR 33 5.036 2.947 8.386 263 H TYR 33 HN TYR 33 1.859 6.712 1.821 264 HA TYR 33 HA TYR 33 3.424 7.236 4.213 265 1HB TYR 33 HB2 TYR 33 1.469 5.706 4.226 266 2HB TYR 33 HB1 TYR 33 2.336 4.618 3.149 267 HD1 TYR 33 HD1 TYR 33 4.497 3.573 3.938 268 HD2 TYR 33 HD2 TYR 33 1.931 5.702 6.578 269 HE1 TYR 33 HE1 TYR 33 5.613 2.539 5.854 270 HE2 TYR 33 HE2 TYR 33 3.048 4.664 8.499 271 HH TYR 33 HH TYR 33 5.976 3.125 8.314 272 H ALA 34 HN ALA 34 3.790 4.740 1.712 273 HA ALA 34 HA ALA 34 6.393 3.925 2.327 274 1HB ALA 34 HB1 ALA 34 4.588 3.536 0.197 275 2HB ALA 34 HB3 ALA 34 6.088 4.084 -0.543 276 3HB ALA 34 HB2 ALA 34 6.086 2.658 0.489 277 H ASN 35 HN ASN 35 5.317 6.831 0.748 278 HA ASN 35 HA ASN 35 7.758 7.651 -0.465 279 1HB ASN 35 HB2 ASN 35 5.896 8.949 -1.060 280 2HB ASN 35 HB1 ASN 35 5.366 9.123 0.611 281 1HD2 ASN 35 HD22 ASN 35 7.300 12.005 1.200 282 2HD2 ASN 35 HD21 ASN 35 6.184 10.885 1.814 283 H ASP 36 HN ASP 36 6.567 7.953 2.832 284 HA ASP 36 HA ASP 36 8.810 9.596 3.708 285 1HB ASP 36 HB2 ASP 36 6.451 8.301 4.985 286 2HB ASP 36 HB1 ASP 36 7.826 8.665 6.024 287 H ASN 37 HN ASN 37 9.079 6.772 2.482 288 HA ASN 37 HA ASN 37 11.080 5.819 4.485 289 1HB ASN 37 HB2 ASN 37 8.819 4.299 3.246 290 2HB ASN 37 HB1 ASN 37 10.328 3.450 3.574 291 1HD2 ASN 37 HD22 ASN 37 7.854 4.402 6.627 292 2HD2 ASN 37 HD21 ASN 37 7.450 4.723 5.010 293 H GLY 38 HN GLY 38 10.028 6.078 1.171 294 1HA GLY 38 HA2 GLY 38 11.657 6.465 -0.606 295 2HA GLY 38 HA1 GLY 38 12.824 5.514 0.304 296 H VAL 39 HN VAL 39 9.822 4.060 0.445 297 HA VAL 39 HA VAL 39 10.689 2.006 -1.496 298 HB VAL 39 HB VAL 39 8.351 2.042 0.430 299 1HG1 VAL 39 HG12 VAL 39 9.476 -0.036 -1.458 300 2HG1 VAL 39 HG11 VAL 39 8.522 -0.491 -0.049 301 3HG1 VAL 39 HG13 VAL 39 7.808 0.510 -1.311 302 1HG2 VAL 39 HG21 VAL 39 10.804 2.024 1.305 303 2HG2 VAL 39 HG23 VAL 39 9.710 0.777 1.900 304 3HG2 VAL 39 HG22 VAL 39 10.876 0.397 0.635 305 H ASP 40 HN ASP 40 10.292 3.080 -3.466 306 HA ASP 40 HA ASP 40 7.416 3.127 -4.217 307 1HB ASP 40 HB2 ASP 40 9.305 5.443 -4.258 308 2HB ASP 40 HB1 ASP 40 8.140 5.300 -5.571 309 H GLY 41 HN GLY 41 7.071 2.240 -6.169 310 1HA GLY 41 HA2 GLY 41 8.727 2.452 -8.449 311 2HA GLY 41 HA1 GLY 41 9.210 0.983 -7.606 312 H GLU 42 HN GLU 42 7.653 -0.697 -7.332 313 HA GLU 42 HA GLU 42 5.533 -0.646 -9.436 314 1HB GLU 42 HB2 GLU 42 6.799 -2.965 -7.973 315 2HB GLU 42 HB1 GLU 42 5.598 -3.108 -9.248 316 1HG GLU 42 HG2 GLU 42 8.060 -1.492 -9.816 317 2HG GLU 42 HG1 GLU 42 8.207 -3.247 -9.803 318 CH2 TRP 43 CH2 TRP 43 2.187 2.510 -2.093 319 H TRP 43 HN TRP 43 3.442 -0.700 -8.866 320 HA TRP 43 HA TRP 43 2.792 -1.279 -5.997 321 1HB TRP 43 HB2 TRP 43 1.822 0.854 -7.868 322 2HB TRP 43 HB1 TRP 43 0.822 0.341 -6.520 323 HD1 TRP 43 HD1 TRP 43 4.429 1.553 -7.210 324 HE1 TRP 43 HE1 TRP 43 5.148 2.851 -5.145 325 HE3 TRP 43 HE3 TRP 43 0.447 0.728 -4.344 326 HZ2 TRP 43 HZ2 TRP 43 4.104 3.386 -2.419 327 HZ3 TRP 43 HZ3 TRP 43 0.291 1.536 -2.043 328 HH2 TRP 43 HH2 TRP 43 2.116 2.859 -1.074 329 H THR 44 HN THR 44 1.258 -2.741 -5.610 330 HA THR 44 HA THR 44 -0.365 -3.730 -7.928 331 HB THR 44 HB THR 44 -0.302 -5.969 -6.559 332 HG1 THR 44 HG1 THR 44 2.105 -4.858 -5.651 333 1HG2 THR 44 HG21 THR 44 1.838 -4.711 -8.212 334 2HG2 THR 44 HG23 THR 44 2.340 -6.089 -7.237 335 3HG2 THR 44 HG22 THR 44 1.049 -6.271 -8.422 336 OH TYR 45 OH TYR 45 -8.846 -1.160 -3.148 337 H TYR 45 HN TYR 45 -2.374 -4.871 -7.231 338 HA TYR 45 HA TYR 45 -3.533 -3.835 -4.688 339 1HB TYR 45 HB2 TYR 45 -4.021 -2.344 -6.751 340 2HB TYR 45 HB1 TYR 45 -5.044 -3.670 -7.307 341 HD1 TYR 45 HD1 TYR 45 -6.595 -4.581 -5.033 342 HD2 TYR 45 HD2 TYR 45 -5.276 -0.631 -5.859 343 HE1 TYR 45 HE1 TYR 45 -8.351 -3.696 -3.597 344 HE2 TYR 45 HE2 TYR 45 -7.080 0.254 -4.473 345 HH TYR 45 HH TYR 45 -8.844 -0.204 -3.235 346 H ASP 46 HN ASP 46 -4.592 -5.429 -3.660 347 HA ASP 46 HA ASP 46 -5.386 -7.851 -5.237 348 1HB ASP 46 HB2 ASP 46 -3.621 -7.996 -3.346 349 2HB ASP 46 HB1 ASP 46 -4.987 -7.797 -2.258 350 H ASP 47 HN ASP 47 -7.443 -6.927 -5.772 351 HA ASP 47 HA ASP 47 -9.271 -6.062 -3.682 352 1HB ASP 47 HB2 ASP 47 -9.411 -5.269 -6.048 353 2HB ASP 47 HB1 ASP 47 -9.900 -6.893 -6.527 354 H ALA 48 HN ALA 48 -8.058 -9.001 -4.241 355 HA ALA 48 HA ALA 48 -10.502 -10.603 -4.177 356 1HB ALA 48 HB2 ALA 48 -8.379 -11.435 -5.182 357 2HB ALA 48 HB1 ALA 48 -7.649 -11.429 -3.581 358 3HB ALA 48 HB3 ALA 48 -8.995 -12.508 -3.930 359 H THR 49 HN THR 49 -8.239 -9.296 -1.859 360 HA THR 49 HA THR 49 -10.055 -10.193 0.325 361 HB THR 49 HB THR 49 -7.936 -10.740 1.696 362 HG1 THR 49 HG1 THR 49 -6.956 -9.696 -0.524 363 1HG2 THR 49 HG23 THR 49 -8.388 -12.355 -0.847 364 2HG2 THR 49 HG22 THR 49 -7.558 -12.930 0.596 365 3HG2 THR 49 HG21 THR 49 -9.283 -12.583 0.652 366 H LYS 50 HN LYS 50 -9.116 -7.647 -1.156 367 HA LYS 50 HA LYS 50 -8.755 -5.408 -0.570 368 1HB LYS 50 HB2 LYS 50 -9.514 -6.206 2.240 369 2HB LYS 50 HB1 LYS 50 -9.753 -4.651 1.450 370 1HG LYS 50 HG2 LYS 50 -11.273 -5.831 -0.203 371 2HG LYS 50 HG1 LYS 50 -11.158 -7.264 0.814 372 1HD LYS 50 HD2 LYS 50 -11.739 -5.153 2.585 373 2HD LYS 50 HD1 LYS 50 -12.779 -4.881 1.191 374 1HE LYS 50 HE2 LYS 50 -13.581 -7.215 1.326 375 2HE LYS 50 HE1 LYS 50 -12.531 -7.499 2.709 376 1HZ LYS 50 HZ3 LYS 50 -14.373 -5.243 2.862 377 2HZ LYS 50 HZ2 LYS 50 -15.038 -6.801 2.978 378 3HZ LYS 50 HZ1 LYS 50 -13.847 -6.303 4.080 379 H THR 51 HN THR 51 -6.462 -6.381 -0.865 380 HA THR 51 HA THR 51 -4.875 -5.553 1.521 381 HB THR 51 HB THR 51 -4.529 -8.168 -0.019 382 HG1 THR 51 HG1 THR 51 -5.980 -8.443 1.554 383 1HG2 THR 51 HG23 THR 51 -2.433 -6.710 1.111 384 2HG2 THR 51 HG22 THR 51 -2.973 -7.720 2.440 385 3HG2 THR 51 HG21 THR 51 -2.461 -8.454 0.930 386 H PHE 52 HN PHE 52 -3.686 -3.864 0.783 387 HA PHE 52 HA PHE 52 -2.999 -3.618 -2.041 388 1HB PHE 52 HB2 PHE 52 -3.006 -1.924 0.291 389 2HB PHE 52 HB1 PHE 52 -1.476 -1.791 -0.563 390 HD1 PHE 52 HD1 PHE 52 -1.458 -1.116 -2.992 391 HD2 PHE 52 HD2 PHE 52 -5.040 -1.178 -0.727 392 HE1 PHE 52 HE1 PHE 52 -2.587 0.240 -4.713 393 HE2 PHE 52 HE2 PHE 52 -6.122 0.264 -2.360 394 HZ PHE 52 HZ PHE 52 -4.881 1.024 -4.335 395 H THR 53 HN THR 53 -0.687 -3.305 -2.708 396 HA THR 53 HA THR 53 1.365 -4.396 -0.935 397 HB THR 53 HB THR 53 0.458 -5.979 -3.367 398 HG1 THR 53 HG1 THR 53 -0.141 -7.381 -1.770 399 1HG2 THR 53 HG21 THR 53 2.943 -6.021 -1.677 400 2HG2 THR 53 HG23 THR 53 2.232 -7.566 -2.129 401 3HG2 THR 53 HG22 THR 53 2.760 -6.444 -3.377 402 H VAL 54 HN VAL 54 3.340 -3.653 -1.487 403 HA VAL 54 HA VAL 54 3.724 -2.586 -4.252 404 HB VAL 54 HB VAL 54 3.159 -0.736 -2.603 405 1HG1 VAL 54 HG11 VAL 54 4.436 -1.923 -0.738 406 2HG1 VAL 54 HG13 VAL 54 5.908 -1.319 -1.490 407 3HG1 VAL 54 HG12 VAL 54 4.704 -0.192 -0.873 408 1HG2 VAL 54 HG22 VAL 54 5.888 -0.801 -3.922 409 2HG2 VAL 54 HG21 VAL 54 4.396 -0.159 -4.590 410 3HG2 VAL 54 HG23 VAL 54 5.176 0.658 -3.245 411 H THR 55 HN THR 55 5.895 -2.655 -4.957 412 HA THR 55 HA THR 55 7.842 -3.984 -3.140 413 HB THR 55 HB THR 55 7.343 -5.014 -5.959 414 HG1 THR 55 HG1 THR 55 5.502 -5.381 -4.786 415 1HG2 THR 55 HG23 THR 55 9.279 -5.597 -3.882 416 2HG2 THR 55 HG22 THR 55 8.197 -6.975 -4.074 417 3HG2 THR 55 HG21 THR 55 9.104 -6.370 -5.449 418 H GLU 56 HN GLU 56 9.555 -2.650 -3.156 419 HA GLU 56 HA GLU 56 10.101 -0.695 -5.150 420 1HB GLU 56 HB2 GLU 56 11.127 -1.282 -2.676 421 2HB GLU 56 HB1 GLU 56 12.462 -1.731 -3.727 422 1HG GLU 56 HG2 GLU 56 12.125 0.528 -4.887 423 2HG GLU 56 HG1 GLU 56 11.061 0.949 -3.549 Start of MODEL 51 Raw file had 423 H/Q atoms Entry Start of MODEL 51 1 1H MET 1 HT1 MET 1 -12.657 1.614 2.394 2 2H MET 1 HT3 MET 1 -14.117 0.819 2.043 3 3H MET 1 HT2 MET 1 -14.003 1.822 3.409 4 HA MET 1 HA MET 1 -13.623 -0.045 4.538 5 1HB MET 1 HB2 MET 1 -12.569 -1.383 2.036 6 2HB MET 1 HB1 MET 1 -13.102 -2.163 3.521 7 1HG MET 1 HG2 MET 1 -14.728 -0.809 1.400 8 2HG MET 1 HG1 MET 1 -14.945 -2.392 2.100 9 1HE MET 1 HE2 MET 1 -17.249 -0.549 1.356 10 2HE MET 1 HE1 MET 1 -17.812 0.616 2.554 11 3HE MET 1 HE3 MET 1 -16.317 0.916 1.666 12 H THR 2 HN THR 2 -11.676 -1.419 5.214 13 HA THR 2 HA THR 2 -9.247 0.296 4.961 14 HB THR 2 HB THR 2 -9.701 -1.885 7.028 15 HG1 THR 2 HG1 THR 2 -10.984 -0.484 7.996 16 1HG2 THR 2 HG21 THR 2 -7.515 -0.205 6.467 17 2HG2 THR 2 HG23 THR 2 -8.368 0.609 7.773 18 3HG2 THR 2 HG22 THR 2 -7.805 -1.043 7.988 19 OH TYR 3 OH TYR 3 -11.705 0.349 -0.597 20 H TYR 3 HN TYR 3 -7.854 -0.410 3.456 21 HA TYR 3 HA TYR 3 -7.678 -3.332 2.917 22 1HB TYR 3 HB2 TYR 3 -6.134 -1.214 1.440 23 2HB TYR 3 HB1 TYR 3 -6.647 -2.790 0.871 24 HD1 TYR 3 HD1 TYR 3 -7.948 0.543 1.922 25 HD2 TYR 3 HD2 TYR 3 -8.745 -3.049 -0.204 26 HE1 TYR 3 HE1 TYR 3 -10.014 1.522 1.035 27 HE2 TYR 3 HE2 TYR 3 -10.804 -2.069 -1.098 28 HH TYR 3 HH TYR 3 -11.531 1.272 -0.793 29 H LYS 4 HN LYS 4 -5.631 -4.408 2.942 30 HA LYS 4 HA LYS 4 -3.786 -3.234 4.971 31 1HB LYS 4 HB2 LYS 4 -4.963 -5.638 5.008 32 2HB LYS 4 HB1 LYS 4 -3.554 -6.065 4.052 33 1HG LYS 4 HG2 LYS 4 -2.288 -4.693 5.976 34 2HG LYS 4 HG1 LYS 4 -3.703 -5.183 6.902 35 1HD LYS 4 HD2 LYS 4 -3.298 -7.547 6.200 36 2HD LYS 4 HD1 LYS 4 -1.832 -7.023 5.378 37 1HE LYS 4 HE2 LYS 4 -0.845 -7.496 7.389 38 2HE LYS 4 HE1 LYS 4 -1.445 -5.902 7.832 39 1HZ LYS 4 HZ1 LYS 4 -3.583 -7.327 8.374 40 2HZ LYS 4 HZ3 LYS 4 -2.414 -8.536 8.609 41 3HZ LYS 4 HZ2 LYS 4 -2.337 -7.094 9.504 42 H LEU 5 HN LEU 5 -1.895 -2.436 4.281 43 HA LEU 5 HA LEU 5 -1.001 -3.034 1.539 44 1HB LEU 5 HB2 LEU 5 -0.839 -0.721 2.170 45 2HB LEU 5 HB1 LEU 5 -0.061 -1.113 3.694 46 HG LEU 5 HG LEU 5 1.947 -1.959 2.348 47 1HD1 LEU 5 HD12 LEU 5 0.442 -0.609 0.084 48 2HD1 LEU 5 HD11 LEU 5 2.088 -1.222 -0.005 49 3HD1 LEU 5 HD13 LEU 5 0.746 -2.338 0.204 50 1HD2 LEU 5 HD23 LEU 5 1.716 0.364 3.351 51 2HD2 LEU 5 HD22 LEU 5 2.837 0.230 2.002 52 3HD2 LEU 5 HD21 LEU 5 1.237 0.910 1.751 53 H ILE 6 HN ILE 6 1.055 -3.901 1.059 54 HA ILE 6 HA ILE 6 2.468 -5.260 3.270 55 HB ILE 6 HB ILE 6 1.589 -6.385 0.623 56 1HG1 ILE 6 HG12 ILE 6 1.511 -7.476 3.461 57 2HG1 ILE 6 HG11 ILE 6 0.173 -6.628 2.702 58 1HG2 ILE 6 HG22 ILE 6 3.934 -7.154 2.362 59 2HG2 ILE 6 HG21 ILE 6 3.104 -8.377 1.408 60 3HG2 ILE 6 HG23 ILE 6 3.868 -7.012 0.609 61 1HD1 ILE 6 HD1 ILE 6 0.837 -8.564 0.814 62 2HD1 ILE 6 HD3 ILE 6 1.057 -9.404 2.343 63 3HD1 ILE 6 HD2 ILE 6 -0.494 -8.669 1.958 64 H LEU 7 HN LEU 7 4.243 -3.988 3.383 65 HA LEU 7 HA LEU 7 5.513 -2.919 0.984 66 1HB LEU 7 HB2 LEU 7 6.318 -2.890 3.892 67 2HB LEU 7 HB1 LEU 7 7.225 -2.081 2.621 68 HG LEU 7 HG LEU 7 4.354 -1.482 2.525 69 1HD1 LEU 7 HD12 LEU 7 5.986 -0.683 4.960 70 2HD1 LEU 7 HD11 LEU 7 4.420 0.000 4.536 71 3HD1 LEU 7 HD13 LEU 7 4.551 -1.703 4.965 72 1HD2 LEU 7 HD22 LEU 7 6.218 -0.308 1.295 73 2HD2 LEU 7 HD21 LEU 7 5.211 0.781 2.244 74 3HD2 LEU 7 HD23 LEU 7 6.795 0.298 2.845 75 H ASN 8 HN ASN 8 6.706 -4.160 -0.303 76 HA ASN 8 HA ASN 8 8.306 -6.355 0.924 77 1HB ASN 8 HB2 ASN 8 6.770 -6.067 -1.523 78 2HB ASN 8 HB1 ASN 8 8.408 -6.571 -1.876 79 1HD2 ASN 8 HD22 ASN 8 5.930 -9.341 -0.755 80 2HD2 ASN 8 HD21 ASN 8 5.565 -7.922 -1.600 81 H GLY 9 HN GLY 9 9.169 -3.705 1.226 82 1HA GLY 9 HA2 GLY 9 10.954 -2.753 -0.748 83 2HA GLY 9 HA1 GLY 9 11.123 -2.423 0.966 84 H LYS 10 HN LYS 10 13.072 -3.119 -1.206 85 HA LYS 10 HA LYS 10 14.097 -5.762 -0.659 86 1HB LYS 10 HB2 LYS 10 14.811 -4.879 -2.710 87 2HB LYS 10 HB1 LYS 10 15.182 -3.307 -2.013 88 1HG LYS 10 HG2 LYS 10 17.179 -4.078 -1.023 89 2HG LYS 10 HG1 LYS 10 16.680 -5.763 -1.108 90 1HD LYS 10 HD2 LYS 10 16.834 -5.671 -3.587 91 2HD LYS 10 HD1 LYS 10 17.367 -3.996 -3.483 92 1HE LYS 10 HE2 LYS 10 19.106 -5.199 -1.747 93 2HE LYS 10 HE1 LYS 10 18.860 -6.491 -2.915 94 1HZ LYS 10 HZ1 LYS 10 19.333 -4.796 -4.671 95 2HZ LYS 10 HZ3 LYS 10 19.831 -3.745 -3.433 96 3HZ LYS 10 HZ2 LYS 10 20.653 -5.209 -3.685 97 H THR 11 HN THR 11 14.500 -2.632 0.778 98 HA THR 11 HA THR 11 16.530 -3.755 2.661 99 HB THR 11 HB THR 11 16.795 -1.109 3.060 100 HG1 THR 11 HG1 THR 11 14.997 -0.848 1.559 101 1HG2 THR 11 HG22 THR 11 18.549 -2.678 2.066 102 2HG2 THR 11 HG21 THR 11 17.798 -2.400 0.498 103 3HG2 THR 11 HG23 THR 11 18.546 -1.062 1.365 104 H LEU 12 HN LEU 12 13.304 -3.122 2.436 105 HA LEU 12 HA LEU 12 13.028 -3.107 5.355 106 1HB LEU 12 HB2 LEU 12 13.428 -0.672 4.637 107 2HB LEU 12 HB1 LEU 12 11.826 -0.750 3.910 108 HG LEU 12 HG LEU 12 11.265 -1.800 6.346 109 1HD1 LEU 12 HD11 LEU 12 13.772 -1.310 6.892 110 2HD1 LEU 12 HD13 LEU 12 13.258 0.371 7.000 111 3HD1 LEU 12 HD12 LEU 12 12.555 -0.835 8.074 112 1HD2 LEU 12 HD23 LEU 12 11.453 1.146 5.629 113 2HD2 LEU 12 HD22 LEU 12 10.090 0.083 5.295 114 3HD2 LEU 12 HD21 LEU 12 10.497 0.497 6.957 115 H LYS 13 HN LYS 13 11.444 -4.508 5.695 116 HA LYS 13 HA LYS 13 9.138 -4.570 3.787 117 1HB LYS 13 HB2 LYS 13 9.832 -6.802 5.680 118 2HB LYS 13 HB1 LYS 13 8.909 -6.877 4.186 119 1HG LYS 13 HG2 LYS 13 10.906 -7.657 3.349 120 2HG LYS 13 HG1 LYS 13 11.239 -5.938 3.194 121 1HD LYS 13 HD2 LYS 13 13.132 -6.630 4.360 122 2HD LYS 13 HD1 LYS 13 12.078 -6.200 5.701 123 1HE LYS 13 HE2 LYS 13 11.297 -8.626 5.716 124 2HE LYS 13 HE1 LYS 13 12.590 -8.969 4.576 125 1HZ LYS 13 HZ1 LYS 13 13.872 -7.604 6.503 126 2HZ LYS 13 HZ3 LYS 13 12.719 -8.465 7.404 127 3HZ LYS 13 HZ2 LYS 13 13.802 -9.297 6.395 128 H GLY 14 HN GLY 14 7.076 -4.379 4.591 129 1HA GLY 14 HA2 GLY 14 6.583 -4.531 7.476 130 2HA GLY 14 HA1 GLY 14 6.474 -2.902 6.820 131 H GLU 15 HN GLU 15 4.232 -3.054 7.559 132 HA GLU 15 HA GLU 15 2.418 -3.617 5.417 133 1HB GLU 15 HB2 GLU 15 1.157 -5.480 6.449 134 2HB GLU 15 HB1 GLU 15 2.807 -5.962 6.075 135 1HG GLU 15 HG2 GLU 15 3.085 -4.935 8.620 136 2HG GLU 15 HG1 GLU 15 1.488 -5.675 8.698 137 H THR 16 HN THR 16 0.789 -2.208 5.712 138 HA THR 16 HA THR 16 -0.208 -1.704 8.458 139 HB THR 16 HB THR 16 1.402 0.073 8.356 140 HG1 THR 16 HG1 THR 16 -0.108 1.868 7.895 141 1HG2 THR 16 HG22 THR 16 0.468 0.283 5.490 142 2HG2 THR 16 HG21 THR 16 1.174 1.678 6.295 143 3HG2 THR 16 HG23 THR 16 2.120 0.208 6.089 144 H THR 17 HN THR 17 -2.300 -0.796 8.526 145 HA THR 17 HA THR 17 -3.797 -1.106 5.961 146 HB THR 17 HB THR 17 -5.689 -1.736 7.262 147 HG1 THR 17 HG1 THR 17 -4.302 -0.106 9.083 148 1HG2 THR 17 HG21 THR 17 -3.343 -3.074 7.819 149 2HG2 THR 17 HG23 THR 17 -3.814 -2.520 9.422 150 3HG2 THR 17 HG22 THR 17 -4.908 -3.531 8.483 151 H THR 18 HN THR 18 -5.061 0.524 5.161 152 HA THR 18 HA THR 18 -5.138 3.090 6.704 153 HB THR 18 HB THR 18 -3.452 2.969 4.680 154 HG1 THR 18 HG1 THR 18 -4.611 4.781 5.910 155 1HG2 THR 18 HG23 THR 18 -5.496 2.088 3.208 156 2HG2 THR 18 HG22 THR 18 -5.919 3.797 3.167 157 3HG2 THR 18 HG21 THR 18 -4.368 3.258 2.531 158 H GLU 19 HN GLU 19 -6.920 4.477 6.195 159 HA GLU 19 HA GLU 19 -9.306 2.944 5.304 160 1HB GLU 19 HB2 GLU 19 -8.909 5.436 6.945 161 2HB GLU 19 HB1 GLU 19 -10.482 5.056 6.254 162 1HG GLU 19 HG2 GLU 19 -9.125 2.812 7.640 163 2HG GLU 19 HG1 GLU 19 -9.653 4.133 8.677 164 H ALA 20 HN ALA 20 -10.116 3.270 3.335 165 HA ALA 20 HA ALA 20 -9.820 5.950 2.072 166 1HB ALA 20 HB2 ALA 20 -8.635 3.405 1.150 167 2HB ALA 20 HB1 ALA 20 -9.473 4.331 -0.091 168 3HB ALA 20 HB3 ALA 20 -8.145 5.059 0.808 169 H VAL 21 HN VAL 21 -11.498 6.502 0.683 170 HA VAL 21 HA VAL 21 -13.947 4.922 1.023 171 HB VAL 21 HB VAL 21 -14.150 7.329 1.158 172 1HG1 VAL 21 HG13 VAL 21 -12.933 7.304 -1.625 173 2HG1 VAL 21 HG12 VAL 21 -13.614 8.729 -0.849 174 3HG1 VAL 21 HG11 VAL 21 -12.188 7.953 -0.166 175 1HG2 VAL 21 HG23 VAL 21 -15.846 5.814 -0.200 176 2HG2 VAL 21 HG22 VAL 21 -16.025 7.565 -0.216 177 3HG2 VAL 21 HG21 VAL 21 -15.259 6.746 -1.573 178 H ASP 22 HN ASP 22 -11.403 4.906 -1.154 179 HA ASP 22 HA ASP 22 -12.828 3.083 -2.927 180 1HB ASP 22 HB2 ASP 22 -13.026 4.367 -4.839 181 2HB ASP 22 HB1 ASP 22 -13.280 5.613 -3.621 182 H ALA 23 HN ALA 23 -11.219 2.926 -5.056 183 HA ALA 23 HA ALA 23 -8.730 1.915 -3.879 184 1HB ALA 23 HB2 ALA 23 -10.236 1.544 -6.354 185 2HB ALA 23 HB1 ALA 23 -8.502 1.669 -6.636 186 3HB ALA 23 HB3 ALA 23 -9.130 0.440 -5.543 187 H ALA 24 HN ALA 24 -9.541 4.237 -6.450 188 HA ALA 24 HA ALA 24 -6.983 5.155 -7.074 189 1HB ALA 24 HB2 ALA 24 -9.533 6.771 -6.825 190 2HB ALA 24 HB1 ALA 24 -8.070 7.335 -7.628 191 3HB ALA 24 HB3 ALA 24 -8.948 5.951 -8.270 192 H THR 25 HN THR 25 -9.092 6.340 -4.468 193 HA THR 25 HA THR 25 -7.128 8.209 -3.476 194 HB THR 25 HB THR 25 -9.632 8.342 -2.989 195 HG1 THR 25 HG1 THR 25 -7.545 8.335 -1.085 196 1HG2 THR 25 HG23 THR 25 -9.397 5.756 -2.120 197 2HG2 THR 25 HG22 THR 25 -9.154 6.625 -0.611 198 3HG2 THR 25 HG21 THR 25 -10.635 6.854 -1.531 199 H ALA 26 HN ALA 26 -7.792 4.830 -2.899 200 HA ALA 26 HA ALA 26 -6.190 4.615 -0.500 201 1HB ALA 26 HB1 ALA 26 -7.904 2.935 -1.146 202 2HB ALA 26 HB3 ALA 26 -6.899 2.466 -2.514 203 3HB ALA 26 HB2 ALA 26 -6.328 2.198 -0.870 204 H GLU 27 HN GLU 27 -5.529 4.457 -3.929 205 HA GLU 27 HA GLU 27 -2.919 3.302 -3.784 206 1HB GLU 27 HB2 GLU 27 -4.249 5.108 -5.807 207 2HB GLU 27 HB1 GLU 27 -2.637 4.447 -6.037 208 1HG GLU 27 HG2 GLU 27 -3.587 2.147 -5.715 209 2HG GLU 27 HG1 GLU 27 -5.195 2.864 -5.641 210 H LYS 28 HN LYS 28 -3.917 6.723 -4.092 211 HA LYS 28 HA LYS 28 -1.219 7.701 -3.789 212 1HB LYS 28 HB2 LYS 28 -2.327 9.930 -3.461 213 2HB LYS 28 HB1 LYS 28 -2.826 9.094 -4.924 214 1HG LYS 28 HG2 LYS 28 -4.965 8.800 -4.177 215 2HG LYS 28 HG1 LYS 28 -4.451 8.473 -2.529 216 1HD LYS 28 HD2 LYS 28 -4.241 10.783 -2.011 217 2HD LYS 28 HD1 LYS 28 -4.251 11.247 -3.708 218 1HE LYS 28 HE2 LYS 28 -6.608 10.458 -3.885 219 2HE LYS 28 HE1 LYS 28 -6.589 10.072 -2.168 220 1HZ LYS 28 HZ2 LYS 28 -5.702 12.731 -2.668 221 2HZ LYS 28 HZ1 LYS 28 -7.263 12.466 -3.283 222 3HZ LYS 28 HZ3 LYS 28 -6.935 12.176 -1.642 223 H VAL 29 HN VAL 29 -3.687 6.783 -1.550 224 HA VAL 29 HA VAL 29 -2.719 8.282 0.718 225 HB VAL 29 HB VAL 29 -4.416 5.805 0.437 226 1HG1 VAL 29 HG12 VAL 29 -3.289 7.116 2.912 227 2HG1 VAL 29 HG11 VAL 29 -4.838 6.277 2.965 228 3HG1 VAL 29 HG13 VAL 29 -3.376 5.400 2.522 229 1HG2 VAL 29 HG23 VAL 29 -5.053 8.393 0.041 230 2HG2 VAL 29 HG22 VAL 29 -6.194 7.250 0.744 231 3HG2 VAL 29 HG21 VAL 29 -5.270 8.327 1.787 232 H PHE 30 HN PHE 30 -2.419 4.796 -0.005 233 HA PHE 30 HA PHE 30 -0.456 4.290 1.991 234 1HB PHE 30 HB2 PHE 30 -1.270 2.907 -0.544 235 2HB PHE 30 HB1 PHE 30 0.189 2.379 0.279 236 HD1 PHE 30 HD1 PHE 30 -0.206 2.240 3.018 237 HD2 PHE 30 HD2 PHE 30 -3.199 1.721 0.025 238 HE1 PHE 30 HE1 PHE 30 -1.590 0.973 4.608 239 HE2 PHE 30 HE2 PHE 30 -4.552 0.447 1.618 240 HZ PHE 30 HZ PHE 30 -3.745 0.034 3.896 241 H LYS 31 HN LYS 31 -0.155 5.355 -1.361 242 HA LYS 31 HA LYS 31 2.667 5.122 -1.607 243 1HB LYS 31 HB2 LYS 31 1.216 5.634 -3.520 244 2HB LYS 31 HB1 LYS 31 0.824 7.198 -2.806 245 1HG LYS 31 HG2 LYS 31 2.813 8.122 -3.429 246 2HG LYS 31 HG1 LYS 31 3.719 6.668 -3.024 247 1HD LYS 31 HD2 LYS 31 3.767 7.109 -5.465 248 2HD LYS 31 HD1 LYS 31 2.946 5.594 -5.107 249 1HE LYS 31 HE2 LYS 31 0.990 6.355 -5.955 250 2HE LYS 31 HE1 LYS 31 1.103 7.855 -5.042 251 1HZ LYS 31 HZ2 LYS 31 2.893 8.419 -6.813 252 2HZ LYS 31 HZ1 LYS 31 2.085 7.244 -7.736 253 3HZ LYS 31 HZ3 LYS 31 1.243 8.608 -7.173 254 H GLN 32 HN GLN 32 0.652 7.501 -0.038 255 HA GLN 32 HA GLN 32 2.720 9.468 0.381 256 1HB GLN 32 HB2 GLN 32 0.250 9.903 0.588 257 2HB GLN 32 HB1 GLN 32 0.256 8.967 2.078 258 1HG GLN 32 HG2 GLN 32 2.398 10.775 2.351 259 2HG GLN 32 HG1 GLN 32 1.090 11.720 1.645 260 1HE2 GLN 32 HE22 GLN 32 0.877 10.609 5.513 261 2HE2 GLN 32 HE21 GLN 32 2.258 10.340 4.564 262 OH TYR 33 OH TYR 33 5.214 2.182 7.963 263 H TYR 33 HN TYR 33 1.696 6.576 2.036 264 HA TYR 33 HA TYR 33 3.251 7.048 4.443 265 1HB TYR 33 HB2 TYR 33 1.365 5.517 4.541 266 2HB TYR 33 HB1 TYR 33 2.058 4.526 3.265 267 HD1 TYR 33 HD1 TYR 33 4.213 3.296 3.692 268 HD2 TYR 33 HD2 TYR 33 2.099 5.261 6.815 269 HE1 TYR 33 HE1 TYR 33 5.475 2.013 5.352 270 HE2 TYR 33 HE2 TYR 33 3.361 3.975 8.478 271 HH TYR 33 HH TYR 33 5.837 1.622 7.494 272 H ALA 34 HN ALA 34 3.678 4.893 1.653 273 HA ALA 34 HA ALA 34 6.251 3.928 2.309 274 1HB ALA 34 HB1 ALA 34 4.707 4.267 -0.221 275 2HB ALA 34 HB3 ALA 34 6.430 3.937 -0.358 276 3HB ALA 34 HB2 ALA 34 5.383 2.805 0.490 277 H ASN 35 HN ASN 35 5.229 6.988 1.024 278 HA ASN 35 HA ASN 35 7.700 7.913 -0.046 279 1HB ASN 35 HB2 ASN 35 5.499 9.060 -0.331 280 2HB ASN 35 HB1 ASN 35 5.577 9.561 1.356 281 1HD2 ASN 35 HD22 ASN 35 7.784 11.509 -1.446 282 2HD2 ASN 35 HD21 ASN 35 6.829 10.168 -1.858 283 H ASP 36 HN ASP 36 6.475 7.782 3.240 284 HA ASP 36 HA ASP 36 8.521 9.439 4.411 285 1HB ASP 36 HB2 ASP 36 6.390 7.645 5.373 286 2HB ASP 36 HB1 ASP 36 7.789 7.753 6.437 287 H ASN 37 HN ASN 37 8.956 6.755 2.715 288 HA ASN 37 HA ASN 37 11.388 5.996 4.267 289 1HB ASN 37 HB2 ASN 37 9.438 4.047 3.006 290 2HB ASN 37 HB1 ASN 37 10.967 3.612 3.767 291 1HD2 ASN 37 HD22 ASN 37 7.847 4.867 6.136 292 2HD2 ASN 37 HD21 ASN 37 7.878 5.308 4.498 293 H GLY 38 HN GLY 38 9.698 6.197 1.213 294 1HA GLY 38 HA2 GLY 38 10.849 6.890 -0.812 295 2HA GLY 38 HA1 GLY 38 12.336 6.202 -0.167 296 H VAL 39 HN VAL 39 9.343 4.452 0.058 297 HA VAL 39 HA VAL 39 10.472 2.398 -1.764 298 HB VAL 39 HB VAL 39 8.063 2.263 0.069 299 1HG1 VAL 39 HG13 VAL 39 9.563 0.186 -1.558 300 2HG1 VAL 39 HG12 VAL 39 8.407 -0.220 -0.293 301 3HG1 VAL 39 HG11 VAL 39 7.872 0.647 -1.729 302 1HG2 VAL 39 HG22 VAL 39 10.206 2.558 1.284 303 2HG2 VAL 39 HG21 VAL 39 9.562 0.937 1.522 304 3HG2 VAL 39 HG23 VAL 39 10.892 1.201 0.397 305 H ASP 40 HN ASP 40 10.037 3.543 -3.730 306 HA ASP 40 HA ASP 40 7.177 3.319 -4.564 307 1HB ASP 40 HB2 ASP 40 8.914 5.722 -4.570 308 2HB ASP 40 HB1 ASP 40 7.957 5.457 -6.026 309 H GLY 41 HN GLY 41 7.112 1.895 -6.168 310 1HA GLY 41 HA2 GLY 41 8.746 2.211 -8.541 311 2HA GLY 41 HA1 GLY 41 9.247 0.813 -7.592 312 H GLU 42 HN GLU 42 7.652 -0.845 -7.168 313 HA GLU 42 HA GLU 42 5.613 -1.010 -9.352 314 1HB GLU 42 HB2 GLU 42 6.936 -3.195 -7.740 315 2HB GLU 42 HB1 GLU 42 5.758 -3.456 -9.019 316 1HG GLU 42 HG2 GLU 42 7.237 -2.744 -10.702 317 2HG GLU 42 HG1 GLU 42 8.238 -1.835 -9.573 318 CH2 TRP 43 CH2 TRP 43 2.215 2.514 -2.150 319 H TRP 43 HN TRP 43 3.552 -0.867 -8.770 320 HA TRP 43 HA TRP 43 2.837 -1.441 -5.916 321 1HB TRP 43 HB2 TRP 43 1.898 0.645 -7.854 322 2HB TRP 43 HB1 TRP 43 0.889 0.172 -6.497 323 HD1 TRP 43 HD1 TRP 43 4.524 1.307 -7.184 324 HE1 TRP 43 HE1 TRP 43 5.232 2.677 -5.162 325 HE3 TRP 43 HE3 TRP 43 0.479 0.674 -4.355 326 HZ2 TRP 43 HZ2 TRP 43 4.152 3.345 -2.479 327 HZ3 TRP 43 HZ3 TRP 43 0.301 1.578 -2.093 328 HH2 TRP 43 HH2 TRP 43 2.135 2.903 -1.146 329 H THR 44 HN THR 44 1.230 -2.825 -5.509 330 HA THR 44 HA THR 44 -0.400 -3.815 -7.814 331 HB THR 44 HB THR 44 -0.207 -6.129 -6.734 332 HG1 THR 44 HG1 THR 44 0.476 -5.031 -4.724 333 1HG2 THR 44 HG22 THR 44 1.665 -4.779 -8.376 334 2HG2 THR 44 HG21 THR 44 2.620 -5.519 -7.096 335 3HG2 THR 44 HG23 THR 44 1.581 -6.517 -8.108 336 OH TYR 45 OH TYR 45 -8.857 -1.280 -2.900 337 H TYR 45 HN TYR 45 -2.468 -4.554 -7.320 338 HA TYR 45 HA TYR 45 -3.514 -3.805 -4.605 339 1HB TYR 45 HB2 TYR 45 -4.098 -2.303 -6.640 340 2HB TYR 45 HB1 TYR 45 -5.103 -3.648 -7.180 341 HD1 TYR 45 HD1 TYR 45 -6.554 -4.621 -4.865 342 HD2 TYR 45 HD2 TYR 45 -5.379 -0.628 -5.705 343 HE1 TYR 45 HE1 TYR 45 -8.305 -3.798 -3.385 344 HE2 TYR 45 HE2 TYR 45 -7.175 0.196 -4.269 345 HH TYR 45 HH TYR 45 -9.603 -1.035 -3.451 346 H ASP 46 HN ASP 46 -4.478 -5.460 -3.567 347 HA ASP 46 HA ASP 46 -5.131 -7.919 -5.128 348 1HB ASP 46 HB2 ASP 46 -3.572 -7.895 -3.041 349 2HB ASP 46 HB1 ASP 46 -5.068 -7.766 -2.123 350 H ASP 47 HN ASP 47 -7.094 -6.651 -5.847 351 HA ASP 47 HA ASP 47 -9.175 -5.978 -3.992 352 1HB ASP 47 HB2 ASP 47 -9.109 -5.120 -6.307 353 2HB ASP 47 HB1 ASP 47 -9.403 -6.748 -6.915 354 H ALA 48 HN ALA 48 -7.880 -8.905 -4.454 355 HA ALA 48 HA ALA 48 -10.385 -10.457 -4.545 356 1HB ALA 48 HB1 ALA 48 -8.108 -11.126 -5.600 357 2HB ALA 48 HB3 ALA 48 -7.660 -11.598 -3.964 358 3HB ALA 48 HB2 ALA 48 -9.029 -12.369 -4.760 359 H THR 49 HN THR 49 -8.387 -9.007 -2.200 360 HA THR 49 HA THR 49 -9.998 -10.249 -0.061 361 HB THR 49 HB THR 49 -7.729 -10.702 1.211 362 HG1 THR 49 HG1 THR 49 -6.332 -9.819 -0.232 363 1HG2 THR 49 HG21 THR 49 -9.319 -12.483 0.189 364 2HG2 THR 49 HG23 THR 49 -8.260 -12.440 -1.218 365 3HG2 THR 49 HG22 THR 49 -7.626 -12.944 0.346 366 H LYS 50 HN LYS 50 -9.159 -7.544 -1.351 367 HA LYS 50 HA LYS 50 -8.857 -5.347 -0.584 368 1HB LYS 50 HB2 LYS 50 -9.731 -6.451 2.093 369 2HB LYS 50 HB1 LYS 50 -9.890 -4.796 1.517 370 1HG LYS 50 HG2 LYS 50 -11.300 -5.780 -0.405 371 2HG LYS 50 HG1 LYS 50 -11.366 -7.256 0.553 372 1HD LYS 50 HD2 LYS 50 -12.299 -5.961 2.458 373 2HD LYS 50 HD1 LYS 50 -12.264 -4.503 1.474 374 1HE LYS 50 HE2 LYS 50 -14.419 -5.139 0.991 375 2HE LYS 50 HE1 LYS 50 -13.609 -6.137 -0.211 376 1HZ LYS 50 HZ2 LYS 50 -13.764 -7.344 2.396 377 2HZ LYS 50 HZ1 LYS 50 -15.279 -7.051 1.686 378 3HZ LYS 50 HZ3 LYS 50 -14.127 -7.994 0.870 379 H THR 51 HN THR 51 -6.528 -6.247 -0.871 380 HA THR 51 HA THR 51 -5.029 -5.462 1.578 381 HB THR 51 HB THR 51 -4.845 -8.151 0.175 382 HG1 THR 51 HG1 THR 51 -6.039 -7.424 2.195 383 1HG2 THR 51 HG22 THR 51 -2.769 -6.874 2.000 384 2HG2 THR 51 HG21 THR 51 -2.782 -8.557 1.501 385 3HG2 THR 51 HG23 THR 51 -2.495 -7.292 0.314 386 H PHE 52 HN PHE 52 -3.720 -3.830 0.877 387 HA PHE 52 HA PHE 52 -3.018 -3.606 -1.950 388 1HB PHE 52 HB2 PHE 52 -2.957 -1.900 0.392 389 2HB PHE 52 HB1 PHE 52 -1.460 -1.791 -0.526 390 HD1 PHE 52 HD1 PHE 52 -1.512 -1.072 -2.928 391 HD2 PHE 52 HD2 PHE 52 -5.044 -1.183 -0.589 392 HE1 PHE 52 HE1 PHE 52 -2.692 0.289 -4.612 393 HE2 PHE 52 HE2 PHE 52 -6.175 0.265 -2.183 394 HZ PHE 52 HZ PHE 52 -4.989 1.039 -4.184 395 H THR 53 HN THR 53 -0.715 -3.388 -2.621 396 HA THR 53 HA THR 53 1.316 -4.501 -0.833 397 HB THR 53 HB THR 53 0.382 -6.088 -3.253 398 HG1 THR 53 HG1 THR 53 -0.859 -6.522 -1.497 399 1HG2 THR 53 HG21 THR 53 2.799 -6.263 -1.446 400 2HG2 THR 53 HG23 THR 53 2.082 -7.736 -2.089 401 3HG2 THR 53 HG22 THR 53 2.720 -6.517 -3.187 402 H VAL 54 HN VAL 54 3.315 -3.832 -1.415 403 HA VAL 54 HA VAL 54 3.721 -2.819 -4.190 404 HB VAL 54 HB VAL 54 3.081 -0.911 -2.668 405 1HG1 VAL 54 HG12 VAL 54 4.210 -1.976 -0.664 406 2HG1 VAL 54 HG11 VAL 54 5.748 -1.461 -1.347 407 3HG1 VAL 54 HG13 VAL 54 4.544 -0.265 -0.884 408 1HG2 VAL 54 HG23 VAL 54 5.888 -0.981 -3.810 409 2HG2 VAL 54 HG22 VAL 54 4.437 -0.375 -4.587 410 3HG2 VAL 54 HG21 VAL 54 5.125 0.486 -3.220 411 H THR 55 HN THR 55 5.917 -2.840 -4.833 412 HA THR 55 HA THR 55 7.869 -4.035 -2.936 413 HB THR 55 HB THR 55 7.252 -5.256 -5.663 414 HG1 THR 55 HG1 THR 55 5.987 -5.416 -3.442 415 1HG2 THR 55 HG23 THR 55 9.450 -5.559 -3.693 416 2HG2 THR 55 HG22 THR 55 8.654 -7.069 -4.132 417 3HG2 THR 55 HG21 THR 55 9.390 -6.067 -5.375 418 H GLU 56 HN GLU 56 9.572 -2.699 -3.013 419 HA GLU 56 HA GLU 56 10.069 -0.817 -5.094 420 1HB GLU 56 HB2 GLU 56 11.138 -1.344 -2.586 421 2HB GLU 56 HB1 GLU 56 12.484 -1.649 -3.676 422 1HG GLU 56 HG2 GLU 56 11.989 0.571 -4.778 423 2HG GLU 56 HG1 GLU 56 10.805 0.875 -3.510 Start of MODEL 52 Raw file had 423 H/Q atoms Entry Start of MODEL 52 1 1H MET 1 HT2 MET 1 -13.243 1.715 4.485 2 2H MET 1 HT1 MET 1 -14.432 1.724 3.273 3 3H MET 1 HT3 MET 1 -14.544 0.625 4.563 4 HA MET 1 HA MET 1 -13.442 -0.867 3.392 5 1HB MET 1 HB2 MET 1 -12.831 1.308 1.374 6 2HB MET 1 HB1 MET 1 -12.772 -0.429 1.098 7 1HG MET 1 HG2 MET 1 -15.269 -0.285 1.999 8 2HG MET 1 HG1 MET 1 -15.136 1.363 1.447 9 1HE MET 1 HE1 MET 1 -17.398 0.015 0.632 10 2HE MET 1 HE3 MET 1 -17.017 1.437 -0.341 11 3HE MET 1 HE2 MET 1 -17.499 -0.067 -1.127 12 H THR 2 HN THR 2 -11.816 -1.135 4.923 13 HA THR 2 HA THR 2 -9.332 0.471 4.569 14 HB THR 2 HB THR 2 -9.626 -1.557 6.772 15 HG1 THR 2 HG1 THR 2 -11.617 -0.472 6.668 16 1HG2 THR 2 HG21 THR 2 -7.660 0.164 6.359 17 2HG2 THR 2 HG23 THR 2 -8.816 1.345 6.966 18 3HG2 THR 2 HG22 THR 2 -8.316 -0.001 7.985 19 OH TYR 3 OH TYR 3 -11.454 0.343 -1.038 20 H TYR 3 HN TYR 3 -7.815 -0.359 3.287 21 HA TYR 3 HA TYR 3 -7.755 -3.303 2.844 22 1HB TYR 3 HB2 TYR 3 -6.061 -1.288 1.378 23 2HB TYR 3 HB1 TYR 3 -6.582 -2.877 0.838 24 HD1 TYR 3 HD1 TYR 3 -7.872 0.514 1.719 25 HD2 TYR 3 HD2 TYR 3 -8.606 -3.113 -0.375 26 HE1 TYR 3 HE1 TYR 3 -9.849 1.516 0.675 27 HE2 TYR 3 HE2 TYR 3 -10.572 -2.097 -1.438 28 HH TYR 3 HH TYR 3 -11.858 0.937 -0.401 29 H LYS 4 HN LYS 4 -5.527 -4.278 2.667 30 HA LYS 4 HA LYS 4 -3.793 -3.205 4.869 31 1HB LYS 4 HB2 LYS 4 -5.031 -5.579 4.897 32 2HB LYS 4 HB1 LYS 4 -3.614 -6.047 3.969 33 1HG LYS 4 HG2 LYS 4 -2.154 -5.104 5.749 34 2HG LYS 4 HG1 LYS 4 -3.586 -4.694 6.681 35 1HD LYS 4 HD2 LYS 4 -3.951 -6.856 7.326 36 2HD LYS 4 HD1 LYS 4 -3.463 -7.509 5.767 37 1HE LYS 4 HE2 LYS 4 -1.443 -6.290 7.654 38 2HE LYS 4 HE1 LYS 4 -1.919 -7.978 7.796 39 1HZ LYS 4 HZ2 LYS 4 -1.355 -8.145 5.355 40 2HZ LYS 4 HZ1 LYS 4 -0.589 -6.638 5.524 41 3HZ LYS 4 HZ3 LYS 4 -0.050 -7.971 6.428 42 H LEU 5 HN LEU 5 -1.952 -2.344 4.121 43 HA LEU 5 HA LEU 5 -0.968 -3.042 1.444 44 1HB LEU 5 HB2 LEU 5 -0.888 -0.701 2.045 45 2HB LEU 5 HB1 LEU 5 -0.063 -1.055 3.553 46 HG LEU 5 HG LEU 5 1.923 -1.894 2.155 47 1HD1 LEU 5 HD13 LEU 5 0.328 -0.563 -0.054 48 2HD1 LEU 5 HD12 LEU 5 1.990 -1.110 -0.195 49 3HD1 LEU 5 HD11 LEU 5 0.702 -2.281 0.040 50 1HD2 LEU 5 HD21 LEU 5 1.703 0.421 3.181 51 2HD2 LEU 5 HD23 LEU 5 2.784 0.307 1.796 52 3HD2 LEU 5 HD22 LEU 5 1.171 0.971 1.600 53 H ILE 6 HN ILE 6 1.068 -3.918 1.013 54 HA ILE 6 HA ILE 6 2.523 -5.143 3.281 55 HB ILE 6 HB ILE 6 2.144 -6.420 0.565 56 1HG1 ILE 6 HG12 ILE 6 0.691 -6.806 3.195 57 2HG1 ILE 6 HG11 ILE 6 -0.012 -6.436 1.626 58 1HG2 ILE 6 HG21 ILE 6 4.204 -6.954 2.035 59 2HG2 ILE 6 HG23 ILE 6 3.063 -7.701 3.147 60 3HG2 ILE 6 HG22 ILE 6 3.231 -8.321 1.508 61 1HD1 ILE 6 HD2 ILE 6 1.016 -8.675 0.838 62 2HD1 ILE 6 HD1 ILE 6 1.232 -9.035 2.548 63 3HD1 ILE 6 HD3 ILE 6 -0.381 -8.769 1.902 64 H LEU 7 HN LEU 7 4.284 -3.850 3.377 65 HA LEU 7 HA LEU 7 5.478 -2.726 0.966 66 1HB LEU 7 HB2 LEU 7 6.300 -2.662 3.863 67 2HB LEU 7 HB1 LEU 7 7.183 -1.836 2.587 68 HG LEU 7 HG LEU 7 4.284 -1.337 2.520 69 1HD1 LEU 7 HD11 LEU 7 5.950 -0.426 4.891 70 2HD1 LEU 7 HD13 LEU 7 4.362 0.214 4.483 71 3HD1 LEU 7 HD12 LEU 7 4.537 -1.474 4.955 72 1HD2 LEU 7 HD22 LEU 7 5.973 -0.109 1.177 73 2HD2 LEU 7 HD21 LEU 7 5.096 0.981 2.246 74 3HD2 LEU 7 HD23 LEU 7 6.727 0.466 2.661 75 H ASN 8 HN ASN 8 6.739 -3.855 -0.337 76 HA ASN 8 HA ASN 8 8.431 -6.013 0.838 77 1HB ASN 8 HB2 ASN 8 6.841 -5.755 -1.583 78 2HB ASN 8 HB1 ASN 8 8.491 -6.204 -1.964 79 1HD2 ASN 8 HD22 ASN 8 6.117 -9.058 -0.818 80 2HD2 ASN 8 HD21 ASN 8 5.690 -7.644 -1.642 81 H GLY 9 HN GLY 9 9.202 -3.338 1.153 82 1HA GLY 9 HA2 GLY 9 10.864 -2.218 -0.803 83 2HA GLY 9 HA1 GLY 9 11.160 -2.045 0.919 84 H LYS 10 HN LYS 10 13.048 -2.408 -1.307 85 HA LYS 10 HA LYS 10 14.091 -5.057 -1.375 86 1HB LYS 10 HB2 LYS 10 14.708 -2.688 -2.621 87 2HB LYS 10 HB1 LYS 10 16.080 -2.882 -1.541 88 1HG LYS 10 HG2 LYS 10 15.093 -5.035 -3.452 89 2HG LYS 10 HG1 LYS 10 16.438 -3.951 -3.782 90 1HD LYS 10 HD2 LYS 10 17.660 -4.799 -1.839 91 2HD LYS 10 HD1 LYS 10 16.297 -5.815 -1.389 92 1HE LYS 10 HE2 LYS 10 18.260 -6.879 -2.751 93 2HE LYS 10 HE1 LYS 10 16.606 -7.267 -3.206 94 1HZ LYS 10 HZ2 LYS 10 17.820 -4.927 -4.450 95 2HZ LYS 10 HZ1 LYS 10 18.384 -6.450 -4.946 96 3HZ LYS 10 HZ3 LYS 10 16.736 -6.065 -5.094 97 H THR 11 HN THR 11 15.286 -2.253 0.462 98 HA THR 11 HA THR 11 16.730 -4.105 2.255 99 HB THR 11 HB THR 11 18.115 -2.287 2.750 100 HG1 THR 11 HG1 THR 11 16.563 -0.207 2.129 101 1HG2 THR 11 HG23 THR 11 17.673 -2.441 0.123 102 2HG2 THR 11 HG22 THR 11 16.856 -0.906 0.398 103 3HG2 THR 11 HG21 THR 11 18.564 -1.077 0.786 104 H LEU 12 HN LEU 12 13.666 -3.203 2.144 105 HA LEU 12 HA LEU 12 13.379 -3.362 5.072 106 1HB LEU 12 HB2 LEU 12 13.724 -0.903 4.444 107 2HB LEU 12 HB1 LEU 12 12.144 -0.993 3.675 108 HG LEU 12 HG LEU 12 11.601 -2.152 6.092 109 1HD1 LEU 12 HD12 LEU 12 13.995 -1.561 6.770 110 2HD1 LEU 12 HD11 LEU 12 13.506 0.129 6.693 111 3HD1 LEU 12 HD13 LEU 12 12.737 -0.959 7.844 112 1HD2 LEU 12 HD23 LEU 12 11.496 0.725 5.164 113 2HD2 LEU 12 HD22 LEU 12 10.185 -0.448 5.227 114 3HD2 LEU 12 HD21 LEU 12 10.824 0.240 6.717 115 H LYS 13 HN LYS 13 11.400 -4.117 5.722 116 HA LYS 13 HA LYS 13 9.278 -4.446 3.646 117 1HB LYS 13 HB2 LYS 13 10.456 -6.596 5.418 118 2HB LYS 13 HB1 LYS 13 8.889 -6.770 4.641 119 1HG LYS 13 HG2 LYS 13 9.842 -7.226 2.637 120 2HG LYS 13 HG1 LYS 13 10.924 -5.848 2.761 121 1HD LYS 13 HD2 LYS 13 12.413 -7.153 4.255 122 2HD LYS 13 HD1 LYS 13 11.334 -8.536 4.108 123 1HE LYS 13 HE2 LYS 13 12.433 -9.143 2.232 124 2HE LYS 13 HE1 LYS 13 11.872 -7.662 1.465 125 1HZ LYS 13 HZ2 LYS 13 13.812 -6.547 2.570 126 2HZ LYS 13 HZ1 LYS 13 14.393 -8.097 2.949 127 3HZ LYS 13 HZ3 LYS 13 14.196 -7.638 1.326 128 H GLY 14 HN GLY 14 7.230 -4.143 4.413 129 1HA GLY 14 HA2 GLY 14 6.690 -4.269 7.299 130 2HA GLY 14 HA1 GLY 14 6.604 -2.653 6.609 131 H GLU 15 HN GLU 15 4.341 -2.898 7.414 132 HA GLU 15 HA GLU 15 2.533 -3.375 5.249 133 1HB GLU 15 HB2 GLU 15 1.356 -5.339 6.043 134 2HB GLU 15 HB1 GLU 15 3.057 -5.758 5.903 135 1HG GLU 15 HG2 GLU 15 3.184 -4.982 8.411 136 2HG GLU 15 HG1 GLU 15 1.441 -5.236 8.388 137 H THR 16 HN THR 16 0.889 -2.019 5.622 138 HA THR 16 HA THR 16 -0.058 -1.628 8.418 139 HB THR 16 HB THR 16 1.415 0.268 8.238 140 HG1 THR 16 HG1 THR 16 -0.337 1.917 7.666 141 1HG2 THR 16 HG22 THR 16 0.450 0.259 5.401 142 2HG2 THR 16 HG21 THR 16 0.786 1.823 6.130 143 3HG2 THR 16 HG23 THR 16 2.059 0.610 6.016 144 H THR 17 HN THR 17 -2.110 -0.208 8.374 145 HA THR 17 HA THR 17 -3.712 -0.925 5.940 146 HB THR 17 HB THR 17 -5.532 -1.621 7.304 147 HG1 THR 17 HG1 THR 17 -4.277 -0.565 9.586 148 1HG2 THR 17 HG22 THR 17 -3.075 -2.788 7.893 149 2HG2 THR 17 HG21 THR 17 -3.634 -2.260 9.474 150 3HG2 THR 17 HG23 THR 17 -4.621 -3.355 8.512 151 H THR 18 HN THR 18 -5.074 0.610 5.136 152 HA THR 18 HA THR 18 -5.277 3.198 6.623 153 HB THR 18 HB THR 18 -3.552 3.137 4.627 154 HG1 THR 18 HG1 THR 18 -5.367 4.860 5.629 155 1HG2 THR 18 HG23 THR 18 -5.549 2.146 3.137 156 2HG2 THR 18 HG22 THR 18 -6.018 3.840 3.055 157 3HG2 THR 18 HG21 THR 18 -4.441 3.333 2.460 158 H GLU 19 HN GLU 19 -7.170 4.394 6.235 159 HA GLU 19 HA GLU 19 -9.409 2.754 5.173 160 1HB GLU 19 HB2 GLU 19 -9.270 4.118 7.479 161 2HB GLU 19 HB1 GLU 19 -9.895 5.400 6.447 162 1HG GLU 19 HG2 GLU 19 -11.705 3.840 5.685 163 2HG GLU 19 HG1 GLU 19 -11.113 2.644 6.835 164 H ALA 20 HN ALA 20 -10.223 3.159 3.218 165 HA ALA 20 HA ALA 20 -10.080 5.928 2.134 166 1HB ALA 20 HB1 ALA 20 -8.722 3.527 1.072 167 2HB ALA 20 HB3 ALA 20 -9.591 4.484 -0.122 168 3HB ALA 20 HB2 ALA 20 -8.328 5.227 0.854 169 H VAL 21 HN VAL 21 -11.507 6.205 0.223 170 HA VAL 21 HA VAL 21 -13.983 4.601 0.606 171 HB VAL 21 HB VAL 21 -14.480 6.899 0.761 172 1HG1 VAL 21 HG12 VAL 21 -12.351 7.106 -1.321 173 2HG1 VAL 21 HG11 VAL 21 -13.626 8.320 -1.365 174 3HG1 VAL 21 HG13 VAL 21 -12.646 8.127 0.084 175 1HG2 VAL 21 HG23 VAL 21 -15.755 5.485 -1.049 176 2HG2 VAL 21 HG22 VAL 21 -15.992 7.229 -1.009 177 3HG2 VAL 21 HG21 VAL 21 -14.907 6.515 -2.197 178 H ASP 22 HN ASP 22 -11.547 5.390 -1.762 179 HA ASP 22 HA ASP 22 -12.803 3.413 -3.624 180 1HB ASP 22 HB2 ASP 22 -11.761 4.970 -5.460 181 2HB ASP 22 HB1 ASP 22 -13.315 5.397 -4.749 182 H ALA 23 HN ALA 23 -11.278 2.438 -5.122 183 HA ALA 23 HA ALA 23 -8.840 1.651 -3.807 184 1HB ALA 23 HB3 ALA 23 -10.195 1.066 -6.376 185 2HB ALA 23 HB2 ALA 23 -8.451 0.829 -6.360 186 3HB ALA 23 HB1 ALA 23 -9.467 -0.039 -5.213 187 H ALA 24 HN ALA 24 -9.643 4.165 -6.042 188 HA ALA 24 HA ALA 24 -6.996 4.630 -7.080 189 1HB ALA 24 HB3 ALA 24 -9.380 5.547 -7.815 190 2HB ALA 24 HB2 ALA 24 -8.931 6.884 -6.761 191 3HB ALA 24 HB1 ALA 24 -7.915 6.470 -8.138 192 H THR 25 HN THR 25 -8.855 6.457 -4.643 193 HA THR 25 HA THR 25 -6.686 8.081 -3.799 194 HB THR 25 HB THR 25 -9.255 8.230 -3.191 195 HG1 THR 25 HG1 THR 25 -6.899 8.822 -1.791 196 1HG2 THR 25 HG22 THR 25 -8.932 5.959 -1.836 197 2HG2 THR 25 HG21 THR 25 -8.213 7.026 -0.635 198 3HG2 THR 25 HG23 THR 25 -9.884 7.262 -1.133 199 H ALA 26 HN ALA 26 -7.417 4.765 -3.143 200 HA ALA 26 HA ALA 26 -5.886 4.516 -0.709 201 1HB ALA 26 HB1 ALA 26 -7.530 2.800 -1.436 202 2HB ALA 26 HB3 ALA 26 -6.485 2.395 -2.795 203 3HB ALA 26 HB2 ALA 26 -5.941 2.097 -1.146 204 H GLU 27 HN GLU 27 -5.116 4.264 -4.135 205 HA GLU 27 HA GLU 27 -2.443 3.286 -3.848 206 1HB GLU 27 HB2 GLU 27 -3.964 4.750 -5.967 207 2HB GLU 27 HB1 GLU 27 -2.212 4.715 -6.095 208 1HG GLU 27 HG2 GLU 27 -2.279 2.219 -5.905 209 2HG GLU 27 HG1 GLU 27 -4.037 2.302 -5.885 210 H LYS 28 HN LYS 28 -3.787 6.543 -3.970 211 HA LYS 28 HA LYS 28 -1.218 7.863 -3.732 212 1HB LYS 28 HB2 LYS 28 -4.040 8.847 -3.267 213 2HB LYS 28 HB1 LYS 28 -2.620 9.888 -3.293 214 1HG LYS 28 HG2 LYS 28 -2.152 9.342 -5.594 215 2HG LYS 28 HG1 LYS 28 -3.335 8.040 -5.590 216 1HD LYS 28 HD2 LYS 28 -4.673 10.452 -4.786 217 2HD LYS 28 HD1 LYS 28 -3.755 10.793 -6.246 218 1HE LYS 28 HE2 LYS 28 -4.764 8.820 -7.345 219 2HE LYS 28 HE1 LYS 28 -5.683 8.476 -5.886 220 1HZ LYS 28 HZ2 LYS 28 -6.189 11.114 -6.476 221 2HZ LYS 28 HZ1 LYS 28 -6.251 10.307 -7.971 222 3HZ LYS 28 HZ3 LYS 28 -7.241 9.797 -6.688 223 H VAL 29 HN VAL 29 -3.815 7.063 -1.465 224 HA VAL 29 HA VAL 29 -2.765 8.372 0.819 225 HB VAL 29 HB VAL 29 -4.414 5.848 0.572 226 1HG1 VAL 29 HG11 VAL 29 -3.373 7.351 2.963 227 2HG1 VAL 29 HG13 VAL 29 -4.951 6.573 3.050 228 3HG1 VAL 29 HG12 VAL 29 -3.512 5.612 2.724 229 1HG2 VAL 29 HG23 VAL 29 -5.129 8.374 -0.047 230 2HG2 VAL 29 HG22 VAL 29 -6.253 7.238 0.693 231 3HG2 VAL 29 HG21 VAL 29 -5.420 8.427 1.689 232 H PHE 30 HN PHE 30 -2.461 4.924 -0.027 233 HA PHE 30 HA PHE 30 -0.527 4.331 1.977 234 1HB PHE 30 HB2 PHE 30 -1.377 3.036 -0.585 235 2HB PHE 30 HB1 PHE 30 0.095 2.469 0.186 236 HD1 PHE 30 HD1 PHE 30 -0.248 2.258 2.932 237 HD2 PHE 30 HD2 PHE 30 -3.295 1.831 -0.020 238 HE1 PHE 30 HE1 PHE 30 -1.605 0.950 4.509 239 HE2 PHE 30 HE2 PHE 30 -4.623 0.512 1.560 240 HZ PHE 30 HZ PHE 30 -3.777 0.043 3.811 241 H LYS 31 HN LYS 31 -0.174 5.448 -1.357 242 HA LYS 31 HA LYS 31 2.646 5.160 -1.564 243 1HB LYS 31 HB2 LYS 31 1.285 5.688 -3.512 244 2HB LYS 31 HB1 LYS 31 0.826 7.234 -2.799 245 1HG LYS 31 HG2 LYS 31 3.010 8.120 -3.020 246 2HG LYS 31 HG1 LYS 31 3.729 6.527 -3.227 247 1HD LYS 31 HD2 LYS 31 3.560 7.790 -5.380 248 2HD LYS 31 HD1 LYS 31 2.654 6.283 -5.410 249 1HE LYS 31 HE2 LYS 31 1.469 8.425 -6.283 250 2HE LYS 31 HE1 LYS 31 0.576 7.386 -5.181 251 1HZ LYS 31 HZ3 LYS 31 2.202 9.452 -3.953 252 2HZ LYS 31 HZ2 LYS 31 0.849 9.991 -4.826 253 3HZ LYS 31 HZ1 LYS 31 0.652 8.897 -3.543 254 H GLN 32 HN GLN 32 0.673 7.728 -0.183 255 HA GLN 32 HA GLN 32 2.808 9.569 0.314 256 1HB GLN 32 HB2 GLN 32 0.462 10.252 0.483 257 2HB GLN 32 HB1 GLN 32 0.214 9.140 1.825 258 1HG GLN 32 HG2 GLN 32 2.499 10.953 2.224 259 2HG GLN 32 HG1 GLN 32 0.957 11.793 2.085 260 1HE2 GLN 32 HE22 GLN 32 0.022 10.924 5.349 261 2HE2 GLN 32 HE21 GLN 32 -0.116 11.992 4.038 262 OH TYR 33 OH TYR 33 4.579 2.626 8.430 263 H TYR 33 HN TYR 33 1.672 6.721 1.951 264 HA TYR 33 HA TYR 33 3.228 7.180 4.375 265 1HB TYR 33 HB2 TYR 33 1.179 5.819 4.443 266 2HB TYR 33 HB1 TYR 33 1.895 4.673 3.316 267 HD1 TYR 33 HD1 TYR 33 3.844 3.293 4.014 268 HD2 TYR 33 HD2 TYR 33 1.835 5.826 6.775 269 HE1 TYR 33 HE1 TYR 33 4.911 2.109 5.874 270 HE2 TYR 33 HE2 TYR 33 2.902 4.641 8.639 271 HH TYR 33 HH TYR 33 4.235 1.731 8.447 272 H ALA 34 HN ALA 34 3.426 4.700 1.836 273 HA ALA 34 HA ALA 34 5.871 3.551 2.448 274 1HB ALA 34 HB2 ALA 34 4.563 4.179 -0.183 275 2HB ALA 34 HB1 ALA 34 6.159 3.439 -0.149 276 3HB ALA 34 HB3 ALA 34 4.792 2.616 0.593 277 H ASN 35 HN ASN 35 5.296 6.649 0.890 278 HA ASN 35 HA ASN 35 7.901 7.271 0.023 279 1HB ASN 35 HB2 ASN 35 5.877 8.675 -0.387 280 2HB ASN 35 HB1 ASN 35 5.934 9.193 1.296 281 1HD2 ASN 35 HD22 ASN 35 7.889 11.511 -1.052 282 2HD2 ASN 35 HD21 ASN 35 6.363 10.792 -1.239 283 H ASP 36 HN ASP 36 6.436 7.999 3.187 284 HA ASP 36 HA ASP 36 8.600 9.211 4.453 285 1HB ASP 36 HB2 ASP 36 6.359 7.489 5.381 286 2HB ASP 36 HB1 ASP 36 7.690 7.733 6.508 287 H ASN 37 HN ASN 37 8.402 6.022 3.263 288 HA ASN 37 HA ASN 37 10.795 5.184 4.850 289 1HB ASN 37 HB2 ASN 37 8.826 3.536 3.241 290 2HB ASN 37 HB1 ASN 37 10.208 2.885 4.117 291 1HD2 ASN 37 HD22 ASN 37 6.848 3.986 6.141 292 2HD2 ASN 37 HD21 ASN 37 6.994 4.278 4.476 293 H GLY 38 HN GLY 38 9.598 5.830 1.651 294 1HA GLY 38 HA2 GLY 38 11.069 6.447 -0.169 295 2HA GLY 38 HA1 GLY 38 12.370 5.559 0.618 296 H VAL 39 HN VAL 39 9.283 4.052 0.465 297 HA VAL 39 HA VAL 39 10.385 2.065 -1.446 298 HB VAL 39 HB VAL 39 7.942 1.995 0.347 299 1HG1 VAL 39 HG11 VAL 39 9.003 0.143 -1.771 300 2HG1 VAL 39 HG13 VAL 39 8.231 -0.547 -0.346 301 3HG1 VAL 39 HG12 VAL 39 7.333 0.552 -1.388 302 1HG2 VAL 39 HG21 VAL 39 10.131 1.853 1.512 303 2HG2 VAL 39 HG23 VAL 39 9.272 0.318 1.585 304 3HG2 VAL 39 HG22 VAL 39 10.603 0.528 0.452 305 H ASP 40 HN ASP 40 10.125 3.444 -3.311 306 HA ASP 40 HA ASP 40 7.288 3.545 -4.271 307 1HB ASP 40 HB2 ASP 40 9.481 5.596 -4.649 308 2HB ASP 40 HB1 ASP 40 7.963 5.613 -5.542 309 H GLY 41 HN GLY 41 7.051 2.179 -5.910 310 1HA GLY 41 HA2 GLY 41 8.766 2.277 -8.238 311 2HA GLY 41 HA1 GLY 41 9.050 0.812 -7.301 312 H GLU 42 HN GLU 42 7.584 -0.833 -7.405 313 HA GLU 42 HA GLU 42 5.390 -0.503 -9.385 314 1HB GLU 42 HB2 GLU 42 6.119 -3.105 -8.100 315 2HB GLU 42 HB1 GLU 42 5.493 -2.809 -9.717 316 1HG GLU 42 HG2 GLU 42 8.290 -2.237 -8.692 317 2HG GLU 42 HG1 GLU 42 7.828 -3.350 -9.976 318 CH2 TRP 43 CH2 TRP 43 2.054 2.592 -2.126 319 H TRP 43 HN TRP 43 3.261 -0.757 -8.849 320 HA TRP 43 HA TRP 43 2.654 -1.272 -5.957 321 1HB TRP 43 HB2 TRP 43 1.602 0.804 -7.857 322 2HB TRP 43 HB1 TRP 43 0.644 0.296 -6.476 323 HD1 TRP 43 HD1 TRP 43 4.201 1.582 -7.269 324 HE1 TRP 43 HE1 TRP 43 4.948 2.913 -5.239 325 HE3 TRP 43 HE3 TRP 43 0.290 0.752 -4.308 326 HZ2 TRP 43 HZ2 TRP 43 3.957 3.477 -2.506 327 HZ3 TRP 43 HZ3 TRP 43 0.171 1.595 -2.020 328 HH2 TRP 43 HH2 TRP 43 1.999 2.961 -1.114 329 H THR 44 HN THR 44 1.218 -2.824 -5.554 330 HA THR 44 HA THR 44 -0.421 -3.858 -7.844 331 HB THR 44 HB THR 44 -0.332 -6.064 -6.424 332 HG1 THR 44 HG1 THR 44 1.406 -6.025 -4.997 333 1HG2 THR 44 HG22 THR 44 1.039 -5.605 -8.556 334 2HG2 THR 44 HG21 THR 44 2.323 -5.041 -7.492 335 3HG2 THR 44 HG23 THR 44 1.782 -6.714 -7.410 336 OH TYR 45 OH TYR 45 -8.965 -1.273 -3.180 337 H TYR 45 HN TYR 45 -2.421 -4.998 -7.132 338 HA TYR 45 HA TYR 45 -3.599 -3.914 -4.617 339 1HB TYR 45 HB2 TYR 45 -4.082 -2.459 -6.702 340 2HB TYR 45 HB1 TYR 45 -5.086 -3.801 -7.255 341 HD1 TYR 45 HD1 TYR 45 -6.677 -4.697 -5.010 342 HD2 TYR 45 HD2 TYR 45 -5.355 -0.746 -5.838 343 HE1 TYR 45 HE1 TYR 45 -8.456 -3.807 -3.604 344 HE2 TYR 45 HE2 TYR 45 -7.179 0.140 -4.478 345 HH TYR 45 HH TYR 45 -9.740 -1.182 -3.740 346 H ASP 46 HN ASP 46 -4.671 -5.481 -3.563 347 HA ASP 46 HA ASP 46 -5.492 -7.918 -5.103 348 1HB ASP 46 HB2 ASP 46 -3.666 -8.051 -3.247 349 2HB ASP 46 HB1 ASP 46 -5.021 -7.898 -2.131 350 H ASP 47 HN ASP 47 -7.540 -6.908 -5.575 351 HA ASP 47 HA ASP 47 -9.314 -5.991 -3.498 352 1HB ASP 47 HB2 ASP 47 -9.733 -5.270 -5.750 353 2HB ASP 47 HB1 ASP 47 -9.812 -6.932 -6.330 354 H ALA 48 HN ALA 48 -8.342 -9.091 -4.506 355 HA ALA 48 HA ALA 48 -10.659 -10.649 -4.012 356 1HB ALA 48 HB1 ALA 48 -8.467 -11.458 -4.982 357 2HB ALA 48 HB3 ALA 48 -7.825 -11.470 -3.342 358 3HB ALA 48 HB2 ALA 48 -9.168 -12.525 -3.769 359 H THR 49 HN THR 49 -8.079 -9.654 -1.781 360 HA THR 49 HA THR 49 -9.922 -10.300 0.496 361 HB THR 49 HB THR 49 -7.817 -10.791 1.823 362 HG1 THR 49 HG1 THR 49 -6.466 -9.526 0.494 363 1HG2 THR 49 HG21 THR 49 -8.148 -12.322 -0.789 364 2HG2 THR 49 HG23 THR 49 -7.166 -12.872 0.564 365 3HG2 THR 49 HG22 THR 49 -8.911 -12.729 0.744 366 H LYS 50 HN LYS 50 -9.184 -7.769 -1.109 367 HA LYS 50 HA LYS 50 -8.817 -5.495 -0.621 368 1HB LYS 50 HB2 LYS 50 -9.730 -6.371 2.137 369 2HB LYS 50 HB1 LYS 50 -9.721 -4.722 1.526 370 1HG LYS 50 HG2 LYS 50 -11.183 -6.804 -0.065 371 2HG LYS 50 HG1 LYS 50 -11.931 -6.211 1.412 372 1HD LYS 50 HD2 LYS 50 -10.784 -4.223 -0.516 373 2HD LYS 50 HD1 LYS 50 -12.335 -4.962 -0.893 374 1HE LYS 50 HE2 LYS 50 -11.888 -3.883 1.872 375 2HE LYS 50 HE1 LYS 50 -12.221 -2.749 0.569 376 1HZ LYS 50 HZ1 LYS 50 -14.168 -4.280 0.042 377 2HZ LYS 50 HZ3 LYS 50 -13.925 -4.926 1.594 378 3HZ LYS 50 HZ2 LYS 50 -14.296 -3.279 1.408 379 H THR 51 HN THR 51 -6.503 -6.560 -0.809 380 HA THR 51 HA THR 51 -4.963 -5.592 1.564 381 HB THR 51 HB THR 51 -4.730 -8.276 0.164 382 HG1 THR 51 HG1 THR 51 -5.974 -7.618 2.163 383 1HG2 THR 51 HG21 THR 51 -2.709 -6.948 2.010 384 2HG2 THR 51 HG23 THR 51 -2.675 -8.631 1.514 385 3HG2 THR 51 HG22 THR 51 -2.408 -7.361 0.328 386 H PHE 52 HN PHE 52 -3.705 -3.947 0.851 387 HA PHE 52 HA PHE 52 -3.019 -3.715 -1.981 388 1HB PHE 52 HB2 PHE 52 -3.062 -1.999 0.338 389 2HB PHE 52 HB1 PHE 52 -1.534 -1.856 -0.515 390 HD1 PHE 52 HD1 PHE 52 -1.503 -1.152 -2.921 391 HD2 PHE 52 HD2 PHE 52 -5.118 -1.327 -0.714 392 HE1 PHE 52 HE1 PHE 52 -2.653 0.153 -4.667 393 HE2 PHE 52 HE2 PHE 52 -6.213 0.105 -2.352 394 HZ PHE 52 HZ PHE 52 -4.971 0.887 -4.307 395 H THR 53 HN THR 53 -0.716 -3.383 -2.630 396 HA THR 53 HA THR 53 1.350 -4.413 -0.837 397 HB THR 53 HB THR 53 0.469 -6.045 -3.248 398 HG1 THR 53 HG1 THR 53 -0.007 -7.475 -1.612 399 1HG2 THR 53 HG21 THR 53 2.977 -6.011 -1.583 400 2HG2 THR 53 HG23 THR 53 2.309 -7.573 -2.051 401 3HG2 THR 53 HG22 THR 53 2.795 -6.417 -3.287 402 H VAL 54 HN VAL 54 3.317 -3.639 -1.409 403 HA VAL 54 HA VAL 54 3.670 -2.595 -4.181 404 HB VAL 54 HB VAL 54 2.948 -0.735 -2.627 405 1HG1 VAL 54 HG12 VAL 54 4.185 -1.766 -0.664 406 2HG1 VAL 54 HG11 VAL 54 5.668 -1.138 -1.371 407 3HG1 VAL 54 HG13 VAL 54 4.396 -0.033 -0.862 408 1HG2 VAL 54 HG22 VAL 54 5.704 -0.684 -3.877 409 2HG2 VAL 54 HG21 VAL 54 4.205 -0.066 -4.547 410 3HG2 VAL 54 HG23 VAL 54 4.960 0.747 -3.186 411 H THR 55 HN THR 55 5.835 -2.545 -4.852 412 HA THR 55 HA THR 55 7.863 -3.656 -2.975 413 HB THR 55 HB THR 55 7.287 -4.860 -5.717 414 HG1 THR 55 HG1 THR 55 6.018 -6.085 -4.551 415 1HG2 THR 55 HG22 THR 55 9.499 -5.105 -3.752 416 2HG2 THR 55 HG21 THR 55 8.772 -6.637 -4.231 417 3HG2 THR 55 HG23 THR 55 9.464 -5.572 -5.447 418 H GLU 56 HN GLU 56 9.716 -2.543 -3.152 419 HA GLU 56 HA GLU 56 10.028 -0.525 -5.229 420 1HB GLU 56 HB2 GLU 56 10.991 -0.827 -2.667 421 2HB GLU 56 HB1 GLU 56 12.412 -1.176 -3.641 422 1HG GLU 56 HG2 GLU 56 10.659 1.294 -3.901 423 2HG GLU 56 HG1 GLU 56 12.257 1.244 -3.160 Start of MODEL 53 Raw file had 423 H/Q atoms Entry Start of MODEL 53 1 1H MET 1 HT2 MET 1 -13.712 1.216 5.941 2 2H MET 1 HT1 MET 1 -15.162 0.982 5.088 3 3H MET 1 HT3 MET 1 -14.340 -0.350 5.746 4 HA MET 1 HA MET 1 -13.606 -0.563 3.640 5 1HB MET 1 HB2 MET 1 -13.522 2.426 3.236 6 2HB MET 1 HB1 MET 1 -13.576 1.162 2.013 7 1HG MET 1 HG2 MET 1 -15.822 0.591 3.429 8 2HG MET 1 HG1 MET 1 -15.755 2.319 3.652 9 1HE MET 1 HE2 MET 1 -18.057 0.536 2.478 10 2HE MET 1 HE1 MET 1 -18.140 0.395 0.722 11 3HE MET 1 HE3 MET 1 -16.952 -0.544 1.627 12 H THR 2 HN THR 2 -11.710 -1.312 4.580 13 HA THR 2 HA THR 2 -9.433 0.591 4.425 14 HB THR 2 HB THR 2 -9.864 -1.226 6.833 15 HG1 THR 2 HG1 THR 2 -10.832 0.492 7.660 16 1HG2 THR 2 HG21 THR 2 -7.517 -0.067 5.898 17 2HG2 THR 2 HG23 THR 2 -8.152 1.172 6.976 18 3HG2 THR 2 HG22 THR 2 -7.837 -0.449 7.587 19 OH TYR 3 OH TYR 3 -11.590 0.095 -1.243 20 H TYR 3 HN TYR 3 -7.891 -0.301 3.198 21 HA TYR 3 HA TYR 3 -7.930 -3.247 2.797 22 1HB TYR 3 HB2 TYR 3 -6.184 -1.251 1.344 23 2HB TYR 3 HB1 TYR 3 -6.635 -2.872 0.827 24 HD1 TYR 3 HD1 TYR 3 -7.964 0.548 1.433 25 HD2 TYR 3 HD2 TYR 3 -8.726 -3.269 -0.277 26 HE1 TYR 3 HE1 TYR 3 -9.958 1.440 0.315 27 HE2 TYR 3 HE2 TYR 3 -10.716 -2.378 -1.391 28 HH TYR 3 HH TYR 3 -12.364 -0.233 -0.779 29 H LYS 4 HN LYS 4 -5.524 -4.087 2.382 30 HA LYS 4 HA LYS 4 -3.885 -3.199 4.726 31 1HB LYS 4 HB2 LYS 4 -5.094 -5.402 5.021 32 2HB LYS 4 HB1 LYS 4 -4.140 -6.029 3.699 33 1HG LYS 4 HG2 LYS 4 -2.250 -6.203 4.965 34 2HG LYS 4 HG1 LYS 4 -2.544 -4.688 5.802 35 1HD LYS 4 HD2 LYS 4 -4.137 -5.723 7.287 36 2HD LYS 4 HD1 LYS 4 -4.140 -7.206 6.337 37 1HE LYS 4 HE2 LYS 4 -1.515 -6.237 7.393 38 2HE LYS 4 HE1 LYS 4 -2.637 -6.965 8.536 39 1HZ LYS 4 HZ2 LYS 4 -2.405 -8.453 6.101 40 2HZ LYS 4 HZ1 LYS 4 -0.924 -8.303 6.918 41 3HZ LYS 4 HZ3 LYS 4 -2.265 -8.976 7.712 42 H LEU 5 HN LEU 5 -2.054 -2.324 3.997 43 HA LEU 5 HA LEU 5 -1.018 -3.001 1.348 44 1HB LEU 5 HB2 LEU 5 -0.853 -0.694 2.060 45 2HB LEU 5 HB1 LEU 5 -0.059 -1.149 3.560 46 HG LEU 5 HG LEU 5 1.904 -1.999 2.157 47 1HD1 LEU 5 HD12 LEU 5 0.344 -0.594 -0.032 48 2HD1 LEU 5 HD11 LEU 5 2.017 -1.116 -0.175 49 3HD1 LEU 5 HD13 LEU 5 0.740 -2.308 0.016 50 1HD2 LEU 5 HD23 LEU 5 1.768 0.281 3.243 51 2HD2 LEU 5 HD22 LEU 5 2.831 0.192 1.843 52 3HD2 LEU 5 HD21 LEU 5 1.232 0.907 1.689 53 H ILE 6 HN ILE 6 1.006 -3.931 0.929 54 HA ILE 6 HA ILE 6 2.351 -5.296 3.174 55 HB ILE 6 HB ILE 6 1.454 -6.422 0.541 56 1HG1 ILE 6 HG12 ILE 6 1.553 -7.521 3.376 57 2HG1 ILE 6 HG11 ILE 6 0.149 -6.740 2.670 58 1HG2 ILE 6 HG21 ILE 6 3.921 -7.129 2.136 59 2HG2 ILE 6 HG23 ILE 6 3.082 -8.373 1.223 60 3HG2 ILE 6 HG22 ILE 6 3.749 -6.979 0.392 61 1HD1 ILE 6 HD3 ILE 6 0.649 -8.596 0.748 62 2HD1 ILE 6 HD2 ILE 6 1.252 -9.455 2.162 63 3HD1 ILE 6 HD1 ILE 6 -0.412 -8.897 2.119 64 H LEU 7 HN LEU 7 4.161 -4.110 3.350 65 HA LEU 7 HA LEU 7 5.447 -2.933 1.013 66 1HB LEU 7 HB2 LEU 7 6.181 -3.029 3.933 67 2HB LEU 7 HB1 LEU 7 7.181 -2.234 2.725 68 HG LEU 7 HG LEU 7 4.355 -1.485 2.507 69 1HD1 LEU 7 HD13 LEU 7 5.875 -0.908 5.073 70 2HD1 LEU 7 HD12 LEU 7 4.414 -0.059 4.579 71 3HD1 LEU 7 HD11 LEU 7 4.353 -1.784 4.928 72 1HD2 LEU 7 HD21 LEU 7 6.269 -0.329 1.406 73 2HD2 LEU 7 HD23 LEU 7 5.362 0.764 2.446 74 3HD2 LEU 7 HD22 LEU 7 6.900 0.105 2.992 75 H ASN 8 HN ASN 8 6.673 -4.077 -0.325 76 HA ASN 8 HA ASN 8 8.276 -6.328 0.799 77 1HB ASN 8 HB2 ASN 8 6.720 -5.945 -1.630 78 2HB ASN 8 HB1 ASN 8 8.352 -6.462 -1.997 79 1HD2 ASN 8 HD22 ASN 8 5.834 -9.230 -0.951 80 2HD2 ASN 8 HD21 ASN 8 5.489 -7.785 -1.759 81 H GLY 9 HN GLY 9 9.073 -3.648 1.142 82 1HA GLY 9 HA2 GLY 9 10.872 -2.678 -0.834 83 2HA GLY 9 HA1 GLY 9 10.969 -2.285 0.876 84 H LYS 10 HN LYS 10 13.041 -2.960 -1.179 85 HA LYS 10 HA LYS 10 14.138 -5.549 -0.596 86 1HB LYS 10 HB2 LYS 10 15.506 -3.018 -1.545 87 2HB LYS 10 HB1 LYS 10 16.233 -4.621 -1.563 88 1HG LYS 10 HG2 LYS 10 13.548 -4.341 -2.833 89 2HG LYS 10 HG1 LYS 10 14.910 -3.626 -3.688 90 1HD LYS 10 HD2 LYS 10 16.113 -5.783 -3.591 91 2HD LYS 10 HD1 LYS 10 14.768 -6.500 -2.713 92 1HE LYS 10 HE2 LYS 10 13.858 -7.026 -4.716 93 2HE LYS 10 HE1 LYS 10 13.593 -5.306 -4.969 94 1HZ LYS 10 HZ2 LYS 10 15.916 -5.222 -5.845 95 2HZ LYS 10 HZ1 LYS 10 15.926 -6.919 -5.815 96 3HZ LYS 10 HZ3 LYS 10 14.815 -6.094 -6.800 97 H THR 11 HN THR 11 14.862 -2.322 0.683 98 HA THR 11 HA THR 11 16.572 -3.537 2.766 99 HB THR 11 HB THR 11 16.884 -0.997 3.332 100 HG1 THR 11 HG1 THR 11 15.099 -0.271 2.206 101 1HG2 THR 11 HG23 THR 11 17.742 -2.385 0.796 102 2HG2 THR 11 HG22 THR 11 18.129 -0.681 1.018 103 3HG2 THR 11 HG21 THR 11 18.740 -1.878 2.157 104 H LEU 12 HN LEU 12 13.366 -3.032 2.378 105 HA LEU 12 HA LEU 12 12.919 -3.057 5.289 106 1HB LEU 12 HB2 LEU 12 13.044 -0.610 4.493 107 2HB LEU 12 HB1 LEU 12 11.511 -0.927 3.689 108 HG LEU 12 HG LEU 12 10.926 -1.951 6.113 109 1HD1 LEU 12 HD13 LEU 12 13.252 -1.329 6.916 110 2HD1 LEU 12 HD12 LEU 12 12.798 0.360 6.718 111 3HD1 LEU 12 HD11 LEU 12 11.945 -0.649 7.883 112 1HD2 LEU 12 HD23 LEU 12 10.851 0.967 5.273 113 2HD2 LEU 12 HD22 LEU 12 9.596 -0.241 5.010 114 3HD2 LEU 12 HD21 LEU 12 9.952 0.318 6.642 115 H LYS 13 HN LYS 13 10.941 -3.929 5.863 116 HA LYS 13 HA LYS 13 8.960 -4.498 3.736 117 1HB LYS 13 HB2 LYS 13 10.236 -6.687 5.403 118 2HB LYS 13 HB1 LYS 13 8.924 -6.907 4.252 119 1HG LYS 13 HG2 LYS 13 10.474 -5.905 2.485 120 2HG LYS 13 HG1 LYS 13 11.771 -6.051 3.666 121 1HD LYS 13 HD2 LYS 13 11.254 -8.493 3.871 122 2HD LYS 13 HD1 LYS 13 10.054 -8.315 2.596 123 1HE LYS 13 HE2 LYS 13 12.116 -9.092 1.578 124 2HE LYS 13 HE1 LYS 13 11.873 -7.416 1.102 125 1HZ LYS 13 HZ2 LYS 13 13.286 -6.982 3.238 126 2HZ LYS 13 HZ1 LYS 13 13.841 -8.559 2.938 127 3HZ LYS 13 HZ3 LYS 13 14.031 -7.354 1.757 128 H GLY 14 HN GLY 14 6.886 -4.586 4.535 129 1HA GLY 14 HA2 GLY 14 6.274 -5.228 7.285 130 2HA GLY 14 HA1 GLY 14 6.259 -3.485 7.039 131 H GLU 15 HN GLU 15 4.007 -3.460 7.493 132 HA GLU 15 HA GLU 15 2.314 -3.622 5.190 133 1HB GLU 15 HB2 GLU 15 0.835 -5.462 5.909 134 2HB GLU 15 HB1 GLU 15 2.467 -6.053 5.628 135 1HG GLU 15 HG2 GLU 15 2.838 -5.587 8.165 136 2HG GLU 15 HG1 GLU 15 1.079 -5.546 8.260 137 H THR 16 HN THR 16 0.604 -2.295 5.524 138 HA THR 16 HA THR 16 -0.409 -1.886 8.275 139 HB THR 16 HB THR 16 1.323 -0.160 8.176 140 HG1 THR 16 HG1 THR 16 -1.295 0.756 7.525 141 1HG2 THR 16 HG23 THR 16 0.932 -0.166 5.438 142 2HG2 THR 16 HG22 THR 16 0.057 1.282 5.922 143 3HG2 THR 16 HG21 THR 16 1.765 1.116 6.308 144 H THR 17 HN THR 17 -2.491 -0.957 8.344 145 HA THR 17 HA THR 17 -3.929 -1.118 5.740 146 HB THR 17 HB THR 17 -5.873 -1.746 6.965 147 HG1 THR 17 HG1 THR 17 -5.848 -1.256 9.260 148 1HG2 THR 17 HG21 THR 17 -3.864 -3.380 7.315 149 2HG2 THR 17 HG23 THR 17 -3.727 -2.641 8.908 150 3HG2 THR 17 HG22 THR 17 -5.202 -3.493 8.456 151 H THR 18 HN THR 18 -5.235 0.517 5.017 152 HA THR 18 HA THR 18 -5.261 3.044 6.617 153 HB THR 18 HB THR 18 -3.526 2.955 4.629 154 HG1 THR 18 HG1 THR 18 -5.370 4.774 5.565 155 1HG2 THR 18 HG22 THR 18 -5.561 2.172 3.082 156 2HG2 THR 18 HG21 THR 18 -5.934 3.891 3.088 157 3HG2 THR 18 HG23 THR 18 -4.384 3.331 2.470 158 H GLU 19 HN GLU 19 -7.079 4.331 6.352 159 HA GLU 19 HA GLU 19 -9.450 2.914 5.346 160 1HB GLU 19 HB2 GLU 19 -9.205 4.409 7.501 161 2HB GLU 19 HB1 GLU 19 -9.506 5.731 6.380 162 1HG GLU 19 HG2 GLU 19 -11.290 3.296 6.747 163 2HG GLU 19 HG1 GLU 19 -11.626 4.912 7.364 164 H ALA 20 HN ALA 20 -10.150 3.127 3.324 165 HA ALA 20 HA ALA 20 -9.812 5.746 1.946 166 1HB ALA 20 HB2 ALA 20 -8.614 3.150 1.184 167 2HB ALA 20 HB1 ALA 20 -9.381 4.043 -0.126 168 3HB ALA 20 HB3 ALA 20 -8.084 4.783 0.806 169 H VAL 21 HN VAL 21 -11.611 6.357 0.900 170 HA VAL 21 HA VAL 21 -13.971 4.657 1.001 171 HB VAL 21 HB VAL 21 -14.207 7.065 1.281 172 1HG1 VAL 21 HG13 VAL 21 -12.253 7.709 -0.118 173 2HG1 VAL 21 HG12 VAL 21 -13.145 7.240 -1.562 174 3HG1 VAL 21 HG11 VAL 21 -13.700 8.597 -0.586 175 1HG2 VAL 21 HG23 VAL 21 -15.956 5.634 0.004 176 2HG2 VAL 21 HG22 VAL 21 -16.073 7.384 -0.152 177 3HG2 VAL 21 HG21 VAL 21 -15.351 6.431 -1.445 178 H ASP 22 HN ASP 22 -11.414 5.017 -1.191 179 HA ASP 22 HA ASP 22 -12.798 3.267 -3.114 180 1HB ASP 22 HB2 ASP 22 -12.787 4.699 -4.948 181 2HB ASP 22 HB1 ASP 22 -13.173 5.822 -3.647 182 H ALA 23 HN ALA 23 -11.228 2.793 -5.010 183 HA ALA 23 HA ALA 23 -8.729 1.890 -3.805 184 1HB ALA 23 HB3 ALA 23 -10.106 1.540 -6.430 185 2HB ALA 23 HB2 ALA 23 -8.372 1.239 -6.362 186 3HB ALA 23 HB1 ALA 23 -9.466 0.323 -5.331 187 H ALA 24 HN ALA 24 -9.723 4.451 -5.973 188 HA ALA 24 HA ALA 24 -7.137 5.150 -6.972 189 1HB ALA 24 HB1 ALA 24 -9.599 6.009 -7.561 190 2HB ALA 24 HB3 ALA 24 -9.132 7.307 -6.466 191 3HB ALA 24 HB2 ALA 24 -8.174 6.984 -7.907 192 H THR 25 HN THR 25 -8.993 6.539 -4.262 193 HA THR 25 HA THR 25 -6.863 8.252 -3.389 194 HB THR 25 HB THR 25 -9.333 8.444 -2.696 195 HG1 THR 25 HG1 THR 25 -7.928 9.685 -1.590 196 1HG2 THR 25 HG22 THR 25 -9.083 5.871 -1.809 197 2HG2 THR 25 HG21 THR 25 -8.639 6.747 -0.347 198 3HG2 THR 25 HG23 THR 25 -10.211 7.017 -1.094 199 H ALA 26 HN ALA 26 -7.593 4.891 -2.845 200 HA ALA 26 HA ALA 26 -5.901 4.518 -0.547 201 1HB ALA 26 HB3 ALA 26 -7.635 2.879 -1.288 202 2HB ALA 26 HB2 ALA 26 -6.628 2.490 -2.677 203 3HB ALA 26 HB1 ALA 26 -6.056 2.136 -1.049 204 H GLU 27 HN GLU 27 -5.355 4.475 -4.009 205 HA GLU 27 HA GLU 27 -2.702 3.400 -3.969 206 1HB GLU 27 HB2 GLU 27 -4.334 5.001 -5.893 207 2HB GLU 27 HB1 GLU 27 -2.599 4.931 -6.158 208 1HG GLU 27 HG2 GLU 27 -2.714 2.434 -6.081 209 2HG GLU 27 HG1 GLU 27 -4.462 2.549 -5.905 210 H LYS 28 HN LYS 28 -3.936 6.709 -3.785 211 HA LYS 28 HA LYS 28 -1.253 7.849 -3.658 212 1HB LYS 28 HB2 LYS 28 -2.343 9.752 -4.188 213 2HB LYS 28 HB1 LYS 28 -3.829 8.816 -4.221 214 1HG LYS 28 HG2 LYS 28 -4.125 9.262 -1.764 215 2HG LYS 28 HG1 LYS 28 -2.682 10.276 -1.801 216 1HD LYS 28 HD2 LYS 28 -3.815 12.010 -2.703 217 2HD LYS 28 HD1 LYS 28 -4.567 10.988 -3.921 218 1HE LYS 28 HE2 LYS 28 -6.268 10.263 -2.338 219 2HE LYS 28 HE1 LYS 28 -5.461 11.107 -1.024 220 1HZ LYS 28 HZ1 LYS 28 -6.110 12.748 -3.311 221 2HZ LYS 28 HZ3 LYS 28 -7.452 12.132 -2.471 222 3HZ LYS 28 HZ2 LYS 28 -6.293 13.066 -1.653 223 H VAL 29 HN VAL 29 -3.770 6.997 -1.354 224 HA VAL 29 HA VAL 29 -2.663 8.291 0.934 225 HB VAL 29 HB VAL 29 -4.363 5.816 0.632 226 1HG1 VAL 29 HG13 VAL 29 -3.207 7.123 3.095 227 2HG1 VAL 29 HG12 VAL 29 -4.744 6.266 3.169 228 3HG1 VAL 29 HG11 VAL 29 -3.281 5.409 2.695 229 1HG2 VAL 29 HG21 VAL 29 -5.086 8.339 0.210 230 2HG2 VAL 29 HG23 VAL 29 -6.156 7.238 1.073 231 3HG2 VAL 29 HG22 VAL 29 -5.160 8.381 1.970 232 H PHE 30 HN PHE 30 -2.412 4.846 0.040 233 HA PHE 30 HA PHE 30 -0.409 4.230 1.964 234 1HB PHE 30 HB2 PHE 30 -1.286 2.957 -0.616 235 2HB PHE 30 HB1 PHE 30 0.141 2.348 0.210 236 HD1 PHE 30 HD1 PHE 30 -0.301 2.160 2.941 237 HD2 PHE 30 HD2 PHE 30 -3.259 1.807 -0.112 238 HE1 PHE 30 HE1 PHE 30 -1.756 0.918 4.481 239 HE2 PHE 30 HE2 PHE 30 -4.681 0.532 1.429 240 HZ PHE 30 HZ PHE 30 -3.927 0.068 3.717 241 H LYS 31 HN LYS 31 -0.165 5.384 -1.366 242 HA LYS 31 HA LYS 31 2.667 5.114 -1.631 243 1HB LYS 31 HB2 LYS 31 1.171 5.590 -3.537 244 2HB LYS 31 HB1 LYS 31 0.844 7.187 -2.872 245 1HG LYS 31 HG2 LYS 31 3.092 7.905 -3.200 246 2HG LYS 31 HG1 LYS 31 3.663 6.258 -3.448 247 1HD LYS 31 HD2 LYS 31 2.761 6.128 -5.605 248 2HD LYS 31 HD1 LYS 31 1.570 7.386 -5.291 249 1HE LYS 31 HE2 LYS 31 3.092 9.104 -5.632 250 2HE LYS 31 HE1 LYS 31 4.466 8.128 -5.128 251 1HZ LYS 31 HZ3 LYS 31 3.592 6.838 -7.331 252 2HZ LYS 31 HZ2 LYS 31 3.314 8.464 -7.736 253 3HZ LYS 31 HZ1 LYS 31 4.872 7.953 -7.292 254 H GLN 32 HN GLN 32 0.664 7.541 -0.109 255 HA GLN 32 HA GLN 32 2.728 9.519 0.235 256 1HB GLN 32 HB2 GLN 32 0.228 9.885 0.506 257 2HB GLN 32 HB1 GLN 32 0.352 9.059 2.055 258 1HG GLN 32 HG2 GLN 32 0.778 11.162 2.858 259 2HG GLN 32 HG1 GLN 32 2.409 10.853 2.268 260 1HE2 GLN 32 HE22 GLN 32 0.792 14.031 0.800 261 2HE2 GLN 32 HE21 GLN 32 0.726 13.421 2.382 262 OH TYR 33 OH TYR 33 5.336 2.683 8.193 263 H TYR 33 HN TYR 33 1.813 6.626 1.932 264 HA TYR 33 HA TYR 33 3.366 7.170 4.323 265 1HB TYR 33 HB2 TYR 33 1.502 5.570 4.370 266 2HB TYR 33 HB1 TYR 33 2.331 4.557 3.191 267 HD1 TYR 33 HD1 TYR 33 4.526 3.488 3.815 268 HD2 TYR 33 HD2 TYR 33 2.113 5.485 6.692 269 HE1 TYR 33 HE1 TYR 33 5.762 2.383 5.616 270 HE2 TYR 33 HE2 TYR 33 3.349 4.376 8.496 271 HH TYR 33 HH TYR 33 5.247 1.734 8.077 272 H ALA 34 HN ALA 34 3.840 4.842 1.682 273 HA ALA 34 HA ALA 34 6.441 4.022 2.311 274 1HB ALA 34 HB3 ALA 34 4.697 3.838 0.062 275 2HB ALA 34 HB2 ALA 34 6.284 4.319 -0.529 276 3HB ALA 34 HB1 ALA 34 6.108 2.847 0.422 277 H ASN 35 HN ASN 35 5.360 6.990 0.820 278 HA ASN 35 HA ASN 35 7.822 7.921 -0.237 279 1HB ASN 35 HB2 ASN 35 5.852 9.150 -0.779 280 2HB ASN 35 HB1 ASN 35 5.443 9.379 0.919 281 1HD2 ASN 35 HD22 ASN 35 7.766 12.084 -0.896 282 2HD2 ASN 35 HD21 ASN 35 6.888 10.893 -1.728 283 H ASP 36 HN ASP 36 6.551 7.959 3.037 284 HA ASP 36 HA ASP 36 8.684 9.645 4.082 285 1HB ASP 36 HB2 ASP 36 6.408 8.091 5.221 286 2HB ASP 36 HB1 ASP 36 7.740 8.490 6.302 287 H ASN 37 HN ASN 37 9.174 6.973 2.626 288 HA ASN 37 HA ASN 37 11.235 6.023 4.554 289 1HB ASN 37 HB2 ASN 37 9.131 4.343 3.195 290 2HB ASN 37 HB1 ASN 37 10.647 3.644 3.756 291 1HD2 ASN 37 HD22 ASN 37 8.109 5.220 6.596 292 2HD2 ASN 37 HD21 ASN 37 8.155 5.921 5.050 293 H GLY 38 HN GLY 38 9.997 6.102 1.267 294 1HA GLY 38 HA2 GLY 38 11.561 6.747 -0.543 295 2HA GLY 38 HA1 GLY 38 12.810 5.819 0.279 296 H VAL 39 HN VAL 39 9.887 4.205 0.463 297 HA VAL 39 HA VAL 39 10.804 2.226 -1.508 298 HB VAL 39 HB VAL 39 8.373 2.253 0.297 299 1HG1 VAL 39 HG13 VAL 39 9.445 0.317 -1.728 300 2HG1 VAL 39 HG12 VAL 39 8.702 -0.327 -0.268 301 3HG1 VAL 39 HG11 VAL 39 7.773 0.712 -1.344 302 1HG2 VAL 39 HG21 VAL 39 10.842 2.141 1.214 303 2HG2 VAL 39 HG23 VAL 39 9.642 1.006 1.824 304 3HG2 VAL 39 HG22 VAL 39 10.795 0.493 0.595 305 H ASP 40 HN ASP 40 10.469 2.997 -3.560 306 HA ASP 40 HA ASP 40 7.632 3.300 -4.371 307 1HB ASP 40 HB2 ASP 40 9.692 5.434 -4.428 308 2HB ASP 40 HB1 ASP 40 8.697 5.279 -5.874 309 H GLY 41 HN GLY 41 7.264 2.134 -6.142 310 1HA GLY 41 HA2 GLY 41 9.009 2.072 -8.422 311 2HA GLY 41 HA1 GLY 41 9.222 0.603 -7.475 312 H GLU 42 HN GLU 42 7.617 -0.939 -7.465 313 HA GLU 42 HA GLU 42 5.451 -0.537 -9.479 314 1HB GLU 42 HB2 GLU 42 6.513 -3.075 -8.231 315 2HB GLU 42 HB1 GLU 42 5.301 -2.993 -9.501 316 1HG GLU 42 HG2 GLU 42 7.747 -1.468 -10.113 317 2HG GLU 42 HG1 GLU 42 8.023 -3.199 -9.935 318 CH2 TRP 43 CH2 TRP 43 2.084 2.534 -2.226 319 H TRP 43 HN TRP 43 3.306 -0.933 -8.949 320 HA TRP 43 HA TRP 43 2.730 -1.369 -6.040 321 1HB TRP 43 HB2 TRP 43 1.680 0.704 -7.941 322 2HB TRP 43 HB1 TRP 43 0.714 0.199 -6.566 323 HD1 TRP 43 HD1 TRP 43 4.287 1.463 -7.335 324 HE1 TRP 43 HE1 TRP 43 5.018 2.809 -5.309 325 HE3 TRP 43 HE3 TRP 43 0.345 0.670 -4.407 326 HZ2 TRP 43 HZ2 TRP 43 3.991 3.418 -2.593 327 HZ3 TRP 43 HZ3 TRP 43 0.198 1.549 -2.132 328 HH2 TRP 43 HH2 TRP 43 2.019 2.914 -1.217 329 H THR 44 HN THR 44 1.241 -2.871 -5.603 330 HA THR 44 HA THR 44 -0.429 -3.906 -7.868 331 HB THR 44 HB THR 44 -0.218 -6.160 -6.536 332 HG1 THR 44 HG1 THR 44 1.295 -4.326 -5.205 333 1HG2 THR 44 HG23 THR 44 1.810 -4.794 -8.254 334 2HG2 THR 44 HG22 THR 44 2.377 -6.192 -7.345 335 3HG2 THR 44 HG21 THR 44 1.043 -6.363 -8.480 336 OH TYR 45 OH TYR 45 -8.975 -1.323 -3.093 337 H TYR 45 HN TYR 45 -2.511 -4.542 -7.411 338 HA TYR 45 HA TYR 45 -3.578 -3.778 -4.709 339 1HB TYR 45 HB2 TYR 45 -4.180 -2.345 -6.783 340 2HB TYR 45 HB1 TYR 45 -5.155 -3.721 -7.297 341 HD1 TYR 45 HD1 TYR 45 -6.644 -4.668 -5.020 342 HD2 TYR 45 HD2 TYR 45 -5.463 -0.673 -5.851 343 HE1 TYR 45 HE1 TYR 45 -8.405 -3.842 -3.549 344 HE2 TYR 45 HE2 TYR 45 -7.278 0.152 -4.438 345 HH TYR 45 HH TYR 45 -9.730 -1.124 -3.653 346 H ASP 46 HN ASP 46 -4.597 -5.377 -3.633 347 HA ASP 46 HA ASP 46 -5.262 -7.879 -5.138 348 1HB ASP 46 HB2 ASP 46 -3.556 -7.732 -3.099 349 2HB ASP 46 HB1 ASP 46 -5.039 -7.855 -2.164 350 H ASP 47 HN ASP 47 -7.360 -7.334 -5.745 351 HA ASP 47 HA ASP 47 -9.282 -6.373 -3.753 352 1HB ASP 47 HB2 ASP 47 -9.498 -5.659 -6.086 353 2HB ASP 47 HB1 ASP 47 -9.673 -7.334 -6.600 354 H ALA 48 HN ALA 48 -7.932 -9.315 -4.358 355 HA ALA 48 HA ALA 48 -10.313 -10.980 -4.081 356 1HB ALA 48 HB3 ALA 48 -8.259 -11.758 -5.255 357 2HB ALA 48 HB2 ALA 48 -7.397 -11.719 -3.719 358 3HB ALA 48 HB1 ALA 48 -8.735 -12.841 -3.951 359 H THR 49 HN THR 49 -8.170 -9.341 -1.950 360 HA THR 49 HA THR 49 -9.672 -10.435 0.359 361 HB THR 49 HB THR 49 -7.558 -10.947 1.602 362 HG1 THR 49 HG1 THR 49 -6.435 -9.357 0.224 363 1HG2 THR 49 HG23 THR 49 -8.625 -12.704 0.008 364 2HG2 THR 49 HG22 THR 49 -7.373 -12.234 -1.138 365 3HG2 THR 49 HG21 THR 49 -6.928 -12.938 0.413 366 H LYS 50 HN LYS 50 -9.080 -7.822 -1.185 367 HA LYS 50 HA LYS 50 -8.779 -5.560 -0.639 368 1HB LYS 50 HB2 LYS 50 -9.805 -6.669 1.983 369 2HB LYS 50 HB1 LYS 50 -9.599 -4.948 1.675 370 1HG LYS 50 HG2 LYS 50 -11.110 -5.140 -0.295 371 2HG LYS 50 HG1 LYS 50 -11.349 -6.845 0.071 372 1HD LYS 50 HD2 LYS 50 -12.475 -6.363 2.109 373 2HD LYS 50 HD1 LYS 50 -11.889 -4.704 2.137 374 1HE LYS 50 HE2 LYS 50 -13.508 -3.972 0.693 375 2HE LYS 50 HE1 LYS 50 -13.454 -5.443 -0.270 376 1HZ LYS 50 HZ3 LYS 50 -14.598 -5.467 2.445 377 2HZ LYS 50 HZ2 LYS 50 -15.529 -4.961 1.117 378 3HZ LYS 50 HZ1 LYS 50 -14.886 -6.533 1.153 379 H THR 51 HN THR 51 -6.443 -6.568 -0.834 380 HA THR 51 HA THR 51 -4.926 -5.569 1.542 381 HB THR 51 HB THR 51 -4.495 -8.210 0.060 382 HG1 THR 51 HG1 THR 51 -4.661 -8.745 2.422 383 1HG2 THR 51 HG23 THR 51 -2.391 -6.708 1.036 384 2HG2 THR 51 HG22 THR 51 -2.902 -7.567 2.478 385 3HG2 THR 51 HG21 THR 51 -2.426 -8.459 1.043 386 H PHE 52 HN PHE 52 -3.735 -3.878 0.790 387 HA PHE 52 HA PHE 52 -3.092 -3.638 -2.045 388 1HB PHE 52 HB2 PHE 52 -3.084 -1.928 0.283 389 2HB PHE 52 HB1 PHE 52 -1.572 -1.781 -0.603 390 HD1 PHE 52 HD1 PHE 52 -1.601 -1.089 -3.017 391 HD2 PHE 52 HD2 PHE 52 -5.156 -1.233 -0.716 392 HE1 PHE 52 HE1 PHE 52 -2.780 0.232 -4.730 393 HE2 PHE 52 HE2 PHE 52 -6.286 0.194 -2.335 394 HZ PHE 52 HZ PHE 52 -5.087 0.972 -4.318 395 H THR 53 HN THR 53 -0.761 -3.260 -2.699 396 HA THR 53 HA THR 53 1.280 -4.384 -0.935 397 HB THR 53 HB THR 53 0.388 -5.915 -3.404 398 HG1 THR 53 HG1 THR 53 -0.732 -6.181 -1.390 399 1HG2 THR 53 HG22 THR 53 2.880 -5.991 -1.717 400 2HG2 THR 53 HG21 THR 53 2.192 -7.516 -2.264 401 3HG2 THR 53 HG23 THR 53 2.710 -6.312 -3.439 402 H VAL 54 HN VAL 54 3.320 -3.795 -1.544 403 HA VAL 54 HA VAL 54 3.701 -2.631 -4.249 404 HB VAL 54 HB VAL 54 3.043 -0.791 -2.616 405 1HG1 VAL 54 HG11 VAL 54 4.344 -1.916 -0.727 406 2HG1 VAL 54 HG13 VAL 54 5.801 -1.266 -1.470 407 3HG1 VAL 54 HG12 VAL 54 4.551 -0.179 -0.876 408 1HG2 VAL 54 HG22 VAL 54 5.756 -0.803 -3.960 409 2HG2 VAL 54 HG21 VAL 54 4.254 -0.128 -4.565 410 3HG2 VAL 54 HG23 VAL 54 5.079 0.642 -3.222 411 H THR 55 HN THR 55 5.883 -2.666 -4.909 412 HA THR 55 HA THR 55 7.839 -3.881 -3.020 413 HB THR 55 HB THR 55 7.215 -5.071 -5.756 414 HG1 THR 55 HG1 THR 55 6.173 -5.292 -3.299 415 1HG2 THR 55 HG23 THR 55 9.407 -5.411 -3.779 416 2HG2 THR 55 HG22 THR 55 8.613 -6.908 -4.262 417 3HG2 THR 55 HG21 THR 55 9.358 -5.875 -5.474 418 H GLU 56 HN GLU 56 9.565 -2.585 -3.089 419 HA GLU 56 HA GLU 56 10.076 -0.656 -5.115 420 1HB GLU 56 HB2 GLU 56 11.146 -1.243 -2.643 421 2HB GLU 56 HB1 GLU 56 12.475 -1.623 -3.732 422 1HG GLU 56 HG2 GLU 56 12.020 0.636 -4.849 423 2HG GLU 56 HG1 GLU 56 10.972 0.995 -3.482 Start of MODEL 54 Raw file had 423 H/Q atoms Entry Start of MODEL 54 1 1H MET 1 HT2 MET 1 -13.594 1.474 4.780 2 2H MET 1 HT1 MET 1 -13.654 2.243 3.267 3 3H MET 1 HT3 MET 1 -14.879 1.157 3.716 4 HA MET 1 HA MET 1 -13.476 -0.695 3.548 5 1HB MET 1 HB2 MET 1 -13.964 0.967 1.361 6 2HB MET 1 HB1 MET 1 -12.254 0.573 1.231 7 1HG MET 1 HG2 MET 1 -13.428 -1.149 0.082 8 2HG MET 1 HG1 MET 1 -12.853 -1.834 1.578 9 1HE MET 1 HE2 MET 1 -14.957 -2.912 -0.560 10 2HE MET 1 HE1 MET 1 -14.381 -3.872 0.803 11 3HE MET 1 HE3 MET 1 -16.111 -3.724 0.498 12 H THR 2 HN THR 2 -11.799 -1.172 4.833 13 HA THR 2 HA THR 2 -9.313 0.474 4.617 14 HB THR 2 HB THR 2 -9.696 -1.588 6.776 15 HG1 THR 2 HG1 THR 2 -11.010 -0.089 7.825 16 1HG2 THR 2 HG21 THR 2 -7.721 0.209 6.366 17 2HG2 THR 2 HG23 THR 2 -8.872 1.262 7.183 18 3HG2 THR 2 HG22 THR 2 -8.278 -0.187 7.988 19 OH TYR 3 OH TYR 3 -11.410 0.491 -0.964 20 H TYR 3 HN TYR 3 -7.818 -0.356 3.291 21 HA TYR 3 HA TYR 3 -7.768 -3.304 2.856 22 1HB TYR 3 HB2 TYR 3 -6.040 -1.325 1.382 23 2HB TYR 3 HB1 TYR 3 -6.624 -2.895 0.840 24 HD1 TYR 3 HD1 TYR 3 -7.767 0.546 1.724 25 HD2 TYR 3 HD2 TYR 3 -8.689 -3.065 -0.317 26 HE1 TYR 3 HE1 TYR 3 -9.723 1.619 0.707 27 HE2 TYR 3 HE2 TYR 3 -10.642 -1.996 -1.336 28 HH TYR 3 HH TYR 3 -11.130 1.340 -1.316 29 H LYS 4 HN LYS 4 -5.449 -4.190 2.556 30 HA LYS 4 HA LYS 4 -3.763 -3.163 4.809 31 1HB LYS 4 HB2 LYS 4 -4.984 -5.476 4.962 32 2HB LYS 4 HB1 LYS 4 -3.712 -6.019 3.884 33 1HG LYS 4 HG2 LYS 4 -2.257 -4.627 5.761 34 2HG LYS 4 HG1 LYS 4 -3.560 -5.282 6.746 35 1HD LYS 4 HD2 LYS 4 -1.812 -6.917 4.871 36 2HD LYS 4 HD1 LYS 4 -1.610 -6.828 6.615 37 1HE LYS 4 HE2 LYS 4 -3.161 -8.439 6.882 38 2HE LYS 4 HE1 LYS 4 -4.359 -7.421 6.094 39 1HZ LYS 4 HZ2 LYS 4 -2.410 -9.035 4.567 40 2HZ LYS 4 HZ1 LYS 4 -3.915 -9.652 5.055 41 3HZ LYS 4 HZ3 LYS 4 -3.844 -8.314 4.010 42 H LEU 5 HN LEU 5 -1.940 -2.290 4.079 43 HA LEU 5 HA LEU 5 -0.943 -2.931 1.406 44 1HB LEU 5 HB2 LEU 5 -0.787 -0.628 2.126 45 2HB LEU 5 HB1 LEU 5 0.025 -1.085 3.615 46 HG LEU 5 HG LEU 5 1.987 -1.896 2.208 47 1HD1 LEU 5 HD13 LEU 5 0.383 -0.550 0.012 48 2HD1 LEU 5 HD12 LEU 5 2.068 -1.032 -0.136 49 3HD1 LEU 5 HD11 LEU 5 0.823 -2.254 0.077 50 1HD2 LEU 5 HD22 LEU 5 1.799 0.401 3.265 51 2HD2 LEU 5 HD21 LEU 5 2.876 0.305 1.875 52 3HD2 LEU 5 HD23 LEU 5 1.265 0.992 1.695 53 H ILE 6 HN ILE 6 1.109 -3.811 0.961 54 HA ILE 6 HA ILE 6 2.489 -5.180 3.179 55 HB ILE 6 HB ILE 6 1.543 -6.341 0.572 56 1HG1 ILE 6 HG12 ILE 6 1.568 -7.376 3.432 57 2HG1 ILE 6 HG11 ILE 6 0.203 -6.554 2.698 58 1HG2 ILE 6 HG21 ILE 6 3.935 -7.134 2.248 59 2HG2 ILE 6 HG23 ILE 6 3.081 -8.325 1.278 60 3HG2 ILE 6 HG22 ILE 6 3.843 -6.948 0.501 61 1HD1 ILE 6 HD2 ILE 6 0.639 -8.465 0.817 62 2HD1 ILE 6 HD1 ILE 6 1.207 -9.318 2.249 63 3HD1 ILE 6 HD3 ILE 6 -0.437 -8.699 2.189 64 H LEU 7 HN LEU 7 4.292 -3.961 3.269 65 HA LEU 7 HA LEU 7 5.535 -2.893 0.857 66 1HB LEU 7 HB2 LEU 7 6.339 -2.868 3.763 67 2HB LEU 7 HB1 LEU 7 7.299 -2.113 2.497 68 HG LEU 7 HG LEU 7 4.445 -1.412 2.368 69 1HD1 LEU 7 HD13 LEU 7 6.115 -0.554 4.759 70 2HD1 LEU 7 HD12 LEU 7 4.537 0.100 4.333 71 3HD1 LEU 7 HD11 LEU 7 4.687 -1.584 4.825 72 1HD2 LEU 7 HD23 LEU 7 6.259 -0.317 1.066 73 2HD2 LEU 7 HD22 LEU 7 5.419 0.838 2.096 74 3HD2 LEU 7 HD21 LEU 7 6.998 0.223 2.570 75 H ASN 8 HN ASN 8 6.714 -4.107 -0.449 76 HA ASN 8 HA ASN 8 8.299 -6.345 0.720 77 1HB ASN 8 HB2 ASN 8 6.732 -5.985 -1.702 78 2HB ASN 8 HB1 ASN 8 8.353 -6.526 -2.078 79 1HD2 ASN 8 HD22 ASN 8 5.803 -9.237 -0.953 80 2HD2 ASN 8 HD21 ASN 8 5.465 -7.793 -1.765 81 H GLY 9 HN GLY 9 9.139 -3.652 0.974 82 1HA GLY 9 HA2 GLY 9 10.945 -2.799 -1.037 83 2HA GLY 9 HA1 GLY 9 11.063 -2.342 0.652 84 H LYS 10 HN LYS 10 13.030 -3.247 -1.490 85 HA LYS 10 HA LYS 10 14.082 -5.799 -0.677 86 1HB LYS 10 HB2 LYS 10 14.631 -4.634 -2.836 87 2HB LYS 10 HB1 LYS 10 15.604 -3.492 -1.916 88 1HG LYS 10 HG2 LYS 10 17.328 -4.947 -2.025 89 2HG LYS 10 HG1 LYS 10 16.397 -6.061 -1.033 90 1HD LYS 10 HD2 LYS 10 16.974 -7.244 -3.052 91 2HD LYS 10 HD1 LYS 10 15.262 -6.853 -3.169 92 1HE LYS 10 HE2 LYS 10 16.524 -4.603 -4.229 93 2HE LYS 10 HE1 LYS 10 17.491 -5.943 -4.832 94 1HZ LYS 10 HZ3 LYS 10 14.840 -6.699 -5.084 95 2HZ LYS 10 HZ2 LYS 10 14.934 -5.101 -5.653 96 3HZ LYS 10 HZ1 LYS 10 15.930 -6.301 -6.325 97 H THR 11 HN THR 11 14.517 -2.526 0.437 98 HA THR 11 HA THR 11 16.457 -3.489 2.493 99 HB THR 11 HB THR 11 16.727 -0.818 2.657 100 HG1 THR 11 HG1 THR 11 16.292 -1.035 -0.061 101 1HG2 THR 11 HG21 THR 11 18.509 -2.455 1.872 102 2HG2 THR 11 HG23 THR 11 17.790 -2.367 0.267 103 3HG2 THR 11 HG22 THR 11 18.512 -0.932 0.988 104 H LEU 12 HN LEU 12 13.242 -2.796 2.096 105 HA LEU 12 HA LEU 12 12.907 -2.496 5.006 106 1HB LEU 12 HB2 LEU 12 13.162 -0.175 4.438 107 2HB LEU 12 HB1 LEU 12 12.079 -0.330 3.064 108 HG LEU 12 HG LEU 12 10.164 -0.660 4.507 109 1HD1 LEU 12 HD13 LEU 12 12.275 -0.950 6.653 110 2HD1 LEU 12 HD12 LEU 12 10.611 -0.543 7.062 111 3HD1 LEU 12 HD11 LEU 12 10.970 -2.062 6.249 112 1HD2 LEU 12 HD23 LEU 12 11.091 1.684 4.233 113 2HD2 LEU 12 HD22 LEU 12 10.113 1.452 5.678 114 3HD2 LEU 12 HD21 LEU 12 11.869 1.487 5.800 115 H LYS 13 HN LYS 13 11.561 -4.172 5.291 116 HA LYS 13 HA LYS 13 9.174 -4.401 3.498 117 1HB LYS 13 HB2 LYS 13 10.595 -6.459 5.198 118 2HB LYS 13 HB1 LYS 13 9.063 -6.757 4.390 119 1HG LYS 13 HG2 LYS 13 10.136 -6.159 2.212 120 2HG LYS 13 HG1 LYS 13 11.673 -5.975 3.050 121 1HD LYS 13 HD2 LYS 13 11.706 -8.300 3.675 122 2HD LYS 13 HD1 LYS 13 10.039 -8.526 3.156 123 1HE LYS 13 HE2 LYS 13 11.621 -9.403 1.466 124 2HE LYS 13 HE1 LYS 13 10.692 -8.055 0.822 125 1HZ LYS 13 HZ2 LYS 13 12.988 -7.042 2.060 126 2HZ LYS 13 HZ1 LYS 13 13.461 -8.301 1.022 127 3HZ LYS 13 HZ3 LYS 13 12.565 -6.993 0.416 128 H GLY 14 HN GLY 14 7.132 -4.431 4.393 129 1HA GLY 14 HA2 GLY 14 6.655 -4.742 7.226 130 2HA GLY 14 HA1 GLY 14 6.623 -3.041 6.774 131 H GLU 15 HN GLU 15 4.377 -3.086 7.431 132 HA GLU 15 HA GLU 15 2.568 -3.408 5.233 133 1HB GLU 15 HB2 GLU 15 1.283 -5.304 5.886 134 2HB GLU 15 HB1 GLU 15 2.954 -5.833 5.997 135 1HG GLU 15 HG2 GLU 15 1.123 -5.014 8.273 136 2HG GLU 15 HG1 GLU 15 1.897 -6.572 8.018 137 H THR 16 HN THR 16 0.689 -2.284 5.619 138 HA THR 16 HA THR 16 -0.157 -1.695 8.366 139 HB THR 16 HB THR 16 1.713 0.000 7.821 140 HG1 THR 16 HG1 THR 16 -0.245 0.136 9.260 141 1HG2 THR 16 HG22 THR 16 0.460 0.329 5.424 142 2HG2 THR 16 HG21 THR 16 -0.390 1.543 6.372 143 3HG2 THR 16 HG23 THR 16 1.360 1.626 6.201 144 H THR 17 HN THR 17 -2.268 -0.920 8.478 145 HA THR 17 HA THR 17 -3.764 -1.105 5.908 146 HB THR 17 HB THR 17 -5.654 -1.804 7.182 147 HG1 THR 17 HG1 THR 17 -5.487 -1.354 9.530 148 1HG2 THR 17 HG22 THR 17 -3.284 -3.149 7.656 149 2HG2 THR 17 HG21 THR 17 -3.778 -2.710 9.286 150 3HG2 THR 17 HG23 THR 17 -4.848 -3.669 8.270 151 H THR 18 HN THR 18 -5.126 0.496 5.219 152 HA THR 18 HA THR 18 -5.269 2.986 6.857 153 HB THR 18 HB THR 18 -3.481 3.015 4.918 154 HG1 THR 18 HG1 THR 18 -5.623 4.879 5.180 155 1HG2 THR 18 HG23 THR 18 -5.415 2.173 3.292 156 2HG2 THR 18 HG22 THR 18 -5.901 3.864 3.337 157 3HG2 THR 18 HG21 THR 18 -4.303 3.422 2.745 158 H GLU 19 HN GLU 19 -7.156 4.156 6.632 159 HA GLU 19 HA GLU 19 -9.400 2.687 5.399 160 1HB GLU 19 HB2 GLU 19 -9.254 4.003 7.735 161 2HB GLU 19 HB1 GLU 19 -9.817 5.324 6.717 162 1HG GLU 19 HG2 GLU 19 -11.637 3.772 5.870 163 2HG GLU 19 HG1 GLU 19 -11.141 2.623 7.112 164 H ALA 20 HN ALA 20 -10.251 3.199 3.482 165 HA ALA 20 HA ALA 20 -9.891 5.961 2.426 166 1HB ALA 20 HB3 ALA 20 -8.604 3.555 1.425 167 2HB ALA 20 HB2 ALA 20 -9.615 4.301 0.190 168 3HB ALA 20 HB1 ALA 20 -8.336 5.233 0.965 169 H VAL 21 HN VAL 21 -11.380 6.468 0.679 170 HA VAL 21 HA VAL 21 -13.971 5.135 1.106 171 HB VAL 21 HB VAL 21 -13.943 7.567 1.052 172 1HG1 VAL 21 HG11 VAL 21 -12.838 7.223 -1.758 173 2HG1 VAL 21 HG13 VAL 21 -13.292 8.757 -1.023 174 3HG1 VAL 21 HG12 VAL 21 -11.941 7.834 -0.372 175 1HG2 VAL 21 HG21 VAL 21 -15.729 6.008 -0.248 176 2HG2 VAL 21 HG23 VAL 21 -15.869 7.763 -0.196 177 3HG2 VAL 21 HG22 VAL 21 -15.160 6.977 -1.604 178 H ASP 22 HN ASP 22 -11.433 5.154 -1.230 179 HA ASP 22 HA ASP 22 -12.870 3.110 -2.785 180 1HB ASP 22 HB2 ASP 22 -12.751 4.272 -4.905 181 2HB ASP 22 HB1 ASP 22 -13.586 5.316 -3.758 182 H ALA 23 HN ALA 23 -11.306 2.851 -4.950 183 HA ALA 23 HA ALA 23 -8.804 1.879 -3.778 184 1HB ALA 23 HB1 ALA 23 -10.063 1.709 -6.509 185 2HB ALA 23 HB3 ALA 23 -8.410 1.171 -6.234 186 3HB ALA 23 HB2 ALA 23 -9.739 0.408 -5.369 187 H ALA 24 HN ALA 24 -9.750 4.310 -6.175 188 HA ALA 24 HA ALA 24 -7.218 5.116 -7.068 189 1HB ALA 24 HB1 ALA 24 -9.887 6.294 -6.940 190 2HB ALA 24 HB3 ALA 24 -8.614 7.505 -6.819 191 3HB ALA 24 HB2 ALA 24 -8.669 6.421 -8.206 192 H THR 25 HN THR 25 -9.025 6.503 -4.335 193 HA THR 25 HA THR 25 -6.885 8.172 -3.435 194 HB THR 25 HB THR 25 -9.123 8.628 -2.591 195 HG1 THR 25 HG1 THR 25 -8.584 8.340 -0.298 196 1HG2 THR 25 HG21 THR 25 -9.244 5.776 -2.341 197 2HG2 THR 25 HG23 THR 25 -9.413 6.457 -0.727 198 3HG2 THR 25 HG22 THR 25 -10.526 6.931 -2.005 199 H ALA 26 HN ALA 26 -7.750 4.830 -2.741 200 HA ALA 26 HA ALA 26 -5.920 4.434 -0.574 201 1HB ALA 26 HB2 ALA 26 -7.778 2.873 -1.179 202 2HB ALA 26 HB1 ALA 26 -6.846 2.376 -2.587 203 3HB ALA 26 HB3 ALA 26 -6.231 2.059 -0.968 204 H GLU 27 HN GLU 27 -5.536 4.285 -4.060 205 HA GLU 27 HA GLU 27 -2.973 3.022 -4.115 206 1HB GLU 27 HB2 GLU 27 -4.396 4.888 -6.011 207 2HB GLU 27 HB1 GLU 27 -2.796 4.258 -6.360 208 1HG GLU 27 HG2 GLU 27 -3.705 1.930 -6.042 209 2HG GLU 27 HG1 GLU 27 -5.312 2.635 -5.879 210 H LYS 28 HN LYS 28 -3.830 6.473 -4.326 211 HA LYS 28 HA LYS 28 -1.055 7.311 -4.130 212 1HB LYS 28 HB2 LYS 28 -1.975 9.581 -4.033 213 2HB LYS 28 HB1 LYS 28 -2.754 8.653 -5.309 214 1HG LYS 28 HG2 LYS 28 -4.545 8.062 -3.552 215 2HG LYS 28 HG1 LYS 28 -3.847 9.348 -2.575 216 1HD LYS 28 HD2 LYS 28 -4.093 10.553 -5.055 217 2HD LYS 28 HD1 LYS 28 -5.526 9.534 -4.985 218 1HE LYS 28 HE2 LYS 28 -6.006 11.736 -4.002 219 2HE LYS 28 HE1 LYS 28 -6.080 10.492 -2.760 220 1HZ LYS 28 HZ1 LYS 28 -3.489 11.235 -2.706 221 2HZ LYS 28 HZ3 LYS 28 -4.272 12.707 -3.034 222 3HZ LYS 28 HZ2 LYS 28 -4.693 11.808 -1.655 223 H VAL 29 HN VAL 29 -3.684 6.873 -1.836 224 HA VAL 29 HA VAL 29 -2.587 8.368 0.329 225 HB VAL 29 HB VAL 29 -4.366 5.939 0.246 226 1HG1 VAL 29 HG12 VAL 29 -3.156 7.400 2.582 227 2HG1 VAL 29 HG11 VAL 29 -4.764 6.695 2.729 228 3HG1 VAL 29 HG13 VAL 29 -3.382 5.666 2.362 229 1HG2 VAL 29 HG23 VAL 29 -4.911 8.519 -0.361 230 2HG2 VAL 29 HG22 VAL 29 -6.097 7.451 0.382 231 3HG2 VAL 29 HG21 VAL 29 -5.172 8.569 1.379 232 H PHE 30 HN PHE 30 -2.456 4.829 -0.129 233 HA PHE 30 HA PHE 30 -0.529 4.324 1.872 234 1HB PHE 30 HB2 PHE 30 -1.304 2.922 -0.665 235 2HB PHE 30 HB1 PHE 30 0.138 2.384 0.186 236 HD1 PHE 30 HD1 PHE 30 -0.286 2.268 2.907 237 HD2 PHE 30 HD2 PHE 30 -3.262 1.773 -0.106 238 HE1 PHE 30 HE1 PHE 30 -1.699 1.031 4.495 239 HE2 PHE 30 HE2 PHE 30 -4.649 0.524 1.483 240 HZ PHE 30 HZ PHE 30 -3.863 0.118 3.773 241 H LYS 31 HN LYS 31 -0.141 5.341 -1.472 242 HA LYS 31 HA LYS 31 2.693 5.098 -1.641 243 1HB LYS 31 HB2 LYS 31 1.099 5.578 -3.550 244 2HB LYS 31 HB1 LYS 31 1.010 7.237 -2.966 245 1HG LYS 31 HG2 LYS 31 3.553 7.309 -3.119 246 2HG LYS 31 HG1 LYS 31 3.469 5.764 -3.957 247 1HD LYS 31 HD2 LYS 31 2.096 6.735 -5.720 248 2HD LYS 31 HD1 LYS 31 1.982 8.258 -4.845 249 1HE LYS 31 HE2 LYS 31 3.716 8.223 -6.702 250 2HE LYS 31 HE1 LYS 31 4.333 8.690 -5.123 251 1HZ LYS 31 HZ2 LYS 31 4.477 5.945 -6.235 252 2HZ LYS 31 HZ1 LYS 31 5.746 7.073 -6.284 253 3HZ LYS 31 HZ3 LYS 31 5.180 6.495 -4.790 254 H GLN 32 HN GLN 32 0.619 7.517 -0.214 255 HA GLN 32 HA GLN 32 2.648 9.528 0.167 256 1HB GLN 32 HB2 GLN 32 0.121 9.843 0.345 257 2HB GLN 32 HB1 GLN 32 0.229 9.086 1.930 258 1HG GLN 32 HG2 GLN 32 2.247 10.921 2.110 259 2HG GLN 32 HG1 GLN 32 1.122 11.777 1.058 260 1HE2 GLN 32 HE22 GLN 32 0.105 11.035 4.954 261 2HE2 GLN 32 HE21 GLN 32 1.451 10.265 4.264 262 OH TYR 33 OH TYR 33 4.936 2.864 8.369 263 H TYR 33 HN TYR 33 1.734 6.635 1.839 264 HA TYR 33 HA TYR 33 3.209 7.239 4.277 265 1HB TYR 33 HB2 TYR 33 1.301 5.683 4.312 266 2HB TYR 33 HB1 TYR 33 2.149 4.613 3.200 267 HD1 TYR 33 HD1 TYR 33 4.283 3.511 3.937 268 HD2 TYR 33 HD2 TYR 33 1.843 5.689 6.655 269 HE1 TYR 33 HE1 TYR 33 5.431 2.446 5.820 270 HE2 TYR 33 HE2 TYR 33 2.992 4.624 8.540 271 HH TYR 33 HH TYR 33 5.599 3.477 8.696 272 H ALA 34 HN ALA 34 3.681 4.802 1.735 273 HA ALA 34 HA ALA 34 6.238 3.927 2.417 274 1HB ALA 34 HB2 ALA 34 4.572 3.871 0.069 275 2HB ALA 34 HB1 ALA 34 6.243 4.160 -0.401 276 3HB ALA 34 HB3 ALA 34 5.830 2.739 0.552 277 H ASN 35 HN ASN 35 5.320 6.854 0.691 278 HA ASN 35 HA ASN 35 7.858 7.712 -0.193 279 1HB ASN 35 HB2 ASN 35 5.574 8.801 -0.608 280 2HB ASN 35 HB1 ASN 35 5.784 9.584 0.957 281 1HD2 ASN 35 HD22 ASN 35 7.384 11.420 -2.095 282 2HD2 ASN 35 HD21 ASN 35 5.983 10.463 -2.088 283 H ASP 36 HN ASP 36 6.297 8.164 2.950 284 HA ASP 36 HA ASP 36 8.582 9.608 4.049 285 1HB ASP 36 HB2 ASP 36 6.118 8.402 5.331 286 2HB ASP 36 HB1 ASP 36 7.332 9.318 6.221 287 H ASN 37 HN ASN 37 8.796 6.787 2.943 288 HA ASN 37 HA ASN 37 10.315 5.683 5.259 289 1HB ASN 37 HB2 ASN 37 8.240 4.266 3.591 290 2HB ASN 37 HB1 ASN 37 9.489 3.377 4.460 291 1HD2 ASN 37 HD22 ASN 37 6.792 5.543 6.703 292 2HD2 ASN 37 HD21 ASN 37 7.245 6.121 5.173 293 H GLY 38 HN GLY 38 9.812 5.886 1.801 294 1HA GLY 38 HA2 GLY 38 11.690 6.041 0.265 295 2HA GLY 38 HA1 GLY 38 12.665 5.130 1.414 296 H VAL 39 HN VAL 39 9.486 4.537 -0.075 297 HA VAL 39 HA VAL 39 10.601 2.090 -1.355 298 HB VAL 39 HB VAL 39 8.081 2.113 0.331 299 1HG1 VAL 39 HG11 VAL 39 9.047 0.379 -1.758 300 2HG1 VAL 39 HG13 VAL 39 9.076 -0.496 -0.231 301 3HG1 VAL 39 HG12 VAL 39 7.576 0.225 -0.805 302 1HG2 VAL 39 HG21 VAL 39 10.830 0.913 0.823 303 2HG2 VAL 39 HG23 VAL 39 10.087 2.221 1.739 304 3HG2 VAL 39 HG22 VAL 39 9.409 0.598 1.815 305 H ASP 40 HN ASP 40 10.351 3.061 -3.380 306 HA ASP 40 HA ASP 40 7.520 3.252 -4.296 307 1HB ASP 40 HB2 ASP 40 9.660 5.293 -4.957 308 2HB ASP 40 HB1 ASP 40 7.994 5.310 -5.528 309 H GLY 41 HN GLY 41 7.185 2.206 -6.153 310 1HA GLY 41 HA2 GLY 41 8.972 2.107 -8.364 311 2HA GLY 41 HA1 GLY 41 9.221 0.651 -7.402 312 H GLU 42 HN GLU 42 7.723 -0.968 -7.483 313 HA GLU 42 HA GLU 42 5.549 -0.633 -9.493 314 1HB GLU 42 HB2 GLU 42 6.602 -3.147 -8.198 315 2HB GLU 42 HB1 GLU 42 5.496 -3.067 -9.560 316 1HG GLU 42 HG2 GLU 42 7.819 -1.455 -10.135 317 2HG GLU 42 HG1 GLU 42 8.340 -3.065 -9.645 318 CH2 TRP 43 CH2 TRP 43 2.190 2.513 -2.189 319 H TRP 43 HN TRP 43 3.436 -0.771 -8.934 320 HA TRP 43 HA TRP 43 2.818 -1.361 -6.058 321 1HB TRP 43 HB2 TRP 43 1.808 0.760 -7.922 322 2HB TRP 43 HB1 TRP 43 0.831 0.240 -6.561 323 HD1 TRP 43 HD1 TRP 43 4.429 1.457 -7.286 324 HE1 TRP 43 HE1 TRP 43 5.142 2.808 -5.254 325 HE3 TRP 43 HE3 TRP 43 0.462 0.656 -4.391 326 HZ2 TRP 43 HZ2 TRP 43 4.098 3.399 -2.540 327 HZ3 TRP 43 HZ3 TRP 43 0.303 1.524 -2.112 328 HH2 TRP 43 HH2 TRP 43 2.118 2.886 -1.178 329 H THR 44 HN THR 44 1.218 -2.759 -5.632 330 HA THR 44 HA THR 44 -0.406 -3.773 -7.943 331 HB THR 44 HB THR 44 -0.316 -6.020 -6.590 332 HG1 THR 44 HG1 THR 44 1.918 -4.533 -5.633 333 1HG2 THR 44 HG23 THR 44 2.225 -4.874 -7.819 334 2HG2 THR 44 HG22 THR 44 1.928 -6.583 -7.516 335 3HG2 THR 44 HG21 THR 44 0.967 -5.721 -8.713 336 OH TYR 45 OH TYR 45 -8.886 -1.259 -3.108 337 H TYR 45 HN TYR 45 -2.410 -4.885 -7.251 338 HA TYR 45 HA TYR 45 -3.540 -3.863 -4.683 339 1HB TYR 45 HB2 TYR 45 -4.073 -2.391 -6.748 340 2HB TYR 45 HB1 TYR 45 -5.083 -3.734 -7.290 341 HD1 TYR 45 HD1 TYR 45 -6.613 -4.656 -5.013 342 HD2 TYR 45 HD2 TYR 45 -5.341 -0.691 -5.842 343 HE1 TYR 45 HE1 TYR 45 -8.364 -3.790 -3.557 344 HE2 TYR 45 HE2 TYR 45 -7.145 0.174 -4.442 345 HH TYR 45 HH TYR 45 -8.859 -0.300 -3.151 346 H ASP 46 HN ASP 46 -4.599 -5.445 -3.631 347 HA ASP 46 HA ASP 46 -5.402 -7.882 -5.180 348 1HB ASP 46 HB2 ASP 46 -3.570 -7.983 -3.326 349 2HB ASP 46 HB1 ASP 46 -4.928 -7.869 -2.215 350 H ASP 47 HN ASP 47 -7.452 -6.771 -5.622 351 HA ASP 47 HA ASP 47 -9.222 -6.000 -3.476 352 1HB ASP 47 HB2 ASP 47 -9.455 -5.207 -5.833 353 2HB ASP 47 HB1 ASP 47 -9.948 -6.834 -6.298 354 H ALA 48 HN ALA 48 -8.129 -8.989 -4.453 355 HA ALA 48 HA ALA 48 -10.520 -10.572 -4.158 356 1HB ALA 48 HB2 ALA 48 -8.281 -11.254 -5.225 357 2HB ALA 48 HB1 ALA 48 -7.724 -11.547 -3.580 358 3HB ALA 48 HB3 ALA 48 -9.085 -12.460 -4.225 359 H THR 49 HN THR 49 -8.250 -9.193 -1.919 360 HA THR 49 HA THR 49 -9.930 -10.198 0.315 361 HB THR 49 HB THR 49 -7.798 -10.799 1.596 362 HG1 THR 49 HG1 THR 49 -6.738 -9.471 -0.264 363 1HG2 THR 49 HG23 THR 49 -9.146 -12.557 0.315 364 2HG2 THR 49 HG22 THR 49 -8.068 -12.275 -1.048 365 3HG2 THR 49 HG21 THR 49 -7.429 -12.921 0.461 366 H LYS 50 HN LYS 50 -9.139 -7.606 -1.126 367 HA LYS 50 HA LYS 50 -8.725 -5.380 -0.521 368 1HB LYS 50 HB2 LYS 50 -9.649 -6.403 2.177 369 2HB LYS 50 HB1 LYS 50 -9.558 -4.711 1.701 370 1HG LYS 50 HG2 LYS 50 -11.404 -4.853 0.329 371 2HG LYS 50 HG1 LYS 50 -11.085 -6.525 -0.109 372 1HD LYS 50 HD2 LYS 50 -13.096 -6.356 1.322 373 2HD LYS 50 HD1 LYS 50 -11.824 -7.259 2.135 374 1HE LYS 50 HE2 LYS 50 -11.289 -5.453 3.563 375 2HE LYS 50 HE1 LYS 50 -12.077 -4.277 2.518 376 1HZ LYS 50 HZ3 LYS 50 -13.984 -6.161 3.286 377 2HZ LYS 50 HZ2 LYS 50 -13.154 -5.674 4.686 378 3HZ LYS 50 HZ1 LYS 50 -13.906 -4.515 3.698 379 H THR 51 HN THR 51 -6.438 -6.433 -0.804 380 HA THR 51 HA THR 51 -4.839 -5.574 1.569 381 HB THR 51 HB THR 51 -4.493 -8.197 0.039 382 HG1 THR 51 HG1 THR 51 -5.868 -8.614 1.605 383 1HG2 THR 51 HG23 THR 51 -2.420 -6.727 1.202 384 2HG2 THR 51 HG22 THR 51 -2.967 -7.759 2.516 385 3HG2 THR 51 HG21 THR 51 -2.430 -8.470 0.999 386 H PHE 52 HN PHE 52 -3.627 -3.901 0.810 387 HA PHE 52 HA PHE 52 -2.988 -3.682 -2.030 388 1HB PHE 52 HB2 PHE 52 -2.943 -1.964 0.292 389 2HB PHE 52 HB1 PHE 52 -1.440 -1.841 -0.609 390 HD1 PHE 52 HD1 PHE 52 -1.470 -1.134 -3.009 391 HD2 PHE 52 HD2 PHE 52 -5.032 -1.272 -0.708 392 HE1 PHE 52 HE1 PHE 52 -2.642 0.202 -4.715 393 HE2 PHE 52 HE2 PHE 52 -6.154 0.159 -2.330 394 HZ PHE 52 HZ PHE 52 -4.944 0.944 -4.310 395 H THR 53 HN THR 53 -0.684 -3.376 -2.724 396 HA THR 53 HA THR 53 1.383 -4.475 -0.972 397 HB THR 53 HB THR 53 0.482 -6.042 -3.419 398 HG1 THR 53 HG1 THR 53 -0.518 -7.141 -1.907 399 1HG2 THR 53 HG23 THR 53 3.020 -5.939 -1.953 400 2HG2 THR 53 HG22 THR 53 2.257 -7.521 -1.815 401 3HG2 THR 53 HG21 THR 53 2.627 -6.857 -3.404 402 H VAL 54 HN VAL 54 3.347 -3.738 -1.541 403 HA VAL 54 HA VAL 54 3.734 -2.694 -4.310 404 HB VAL 54 HB VAL 54 3.091 -0.813 -2.750 405 1HG1 VAL 54 HG12 VAL 54 4.246 -1.894 -0.771 406 2HG1 VAL 54 HG11 VAL 54 5.775 -1.366 -1.466 407 3HG1 VAL 54 HG13 VAL 54 4.571 -0.180 -0.975 408 1HG2 VAL 54 HG23 VAL 54 5.882 -0.854 -3.928 409 2HG2 VAL 54 HG22 VAL 54 4.417 -0.243 -4.675 410 3HG2 VAL 54 HG21 VAL 54 5.124 0.601 -3.307 411 H THR 55 HN THR 55 5.934 -2.699 -4.962 412 HA THR 55 HA THR 55 7.889 -3.926 -3.082 413 HB THR 55 HB THR 55 7.268 -5.106 -5.825 414 HG1 THR 55 HG1 THR 55 6.252 -5.354 -3.341 415 1HG2 THR 55 HG23 THR 55 9.447 -5.466 -3.836 416 2HG2 THR 55 HG22 THR 55 8.655 -6.955 -4.344 417 3HG2 THR 55 HG21 THR 55 9.411 -5.909 -5.536 418 H GLU 56 HN GLU 56 9.588 -2.571 -3.147 419 HA GLU 56 HA GLU 56 10.092 -0.678 -5.214 420 1HB GLU 56 HB2 GLU 56 11.185 -1.251 -2.721 421 2HB GLU 56 HB1 GLU 56 12.516 -1.531 -3.831 422 1HG GLU 56 HG2 GLU 56 11.957 0.720 -4.887 423 2HG GLU 56 HG1 GLU 56 10.852 0.990 -3.542 Start of MODEL 55 Raw file had 423 H/Q atoms Entry Start of MODEL 55 1 1H MET 1 HT2 MET 1 -13.952 1.099 5.593 2 2H MET 1 HT1 MET 1 -15.336 0.493 4.817 3 3H MET 1 HT3 MET 1 -14.337 -0.551 5.709 4 HA MET 1 HA MET 1 -13.663 -1.026 3.589 5 1HB MET 1 HB2 MET 1 -14.446 1.804 3.095 6 2HB MET 1 HB1 MET 1 -13.170 1.143 2.078 7 1HG MET 1 HG2 MET 1 -14.558 -0.649 1.341 8 2HG MET 1 HG1 MET 1 -15.752 -0.330 2.569 9 1HE MET 1 HE2 MET 1 -16.875 -1.125 0.356 10 2HE MET 1 HE1 MET 1 -18.035 -0.114 1.217 11 3HE MET 1 HE3 MET 1 -17.826 0.072 -0.525 12 H THR 2 HN THR 2 -11.759 -1.629 4.578 13 HA THR 2 HA THR 2 -9.552 0.373 4.401 14 HB THR 2 HB THR 2 -9.783 -1.551 6.741 15 HG1 THR 2 HG1 THR 2 -10.889 0.053 7.732 16 1HG2 THR 2 HG21 THR 2 -7.613 -0.158 5.988 17 2HG2 THR 2 HG23 THR 2 -8.491 1.160 6.757 18 3HG2 THR 2 HG22 THR 2 -8.061 -0.273 7.686 19 OH TYR 3 OH TYR 3 -11.689 0.011 -0.940 20 H TYR 3 HN TYR 3 -7.806 -0.412 3.383 21 HA TYR 3 HA TYR 3 -7.722 -3.358 2.856 22 1HB TYR 3 HB2 TYR 3 -6.146 -1.277 1.356 23 2HB TYR 3 HB1 TYR 3 -6.590 -2.897 0.837 24 HD1 TYR 3 HD1 TYR 3 -8.096 0.395 1.788 25 HD2 TYR 3 HD2 TYR 3 -8.574 -3.223 -0.382 26 HE1 TYR 3 HE1 TYR 3 -10.157 1.268 0.784 27 HE2 TYR 3 HE2 TYR 3 -10.629 -2.351 -1.395 28 HH TYR 3 HH TYR 3 -11.815 -0.426 -1.786 29 H LYS 4 HN LYS 4 -5.608 -4.385 2.836 30 HA LYS 4 HA LYS 4 -3.826 -3.225 4.937 31 1HB LYS 4 HB2 LYS 4 -5.000 -5.632 4.956 32 2HB LYS 4 HB1 LYS 4 -3.584 -6.058 4.012 33 1HG LYS 4 HG2 LYS 4 -2.345 -4.686 5.964 34 2HG LYS 4 HG1 LYS 4 -3.763 -5.211 6.867 35 1HD LYS 4 HD2 LYS 4 -1.866 -7.007 5.320 36 2HD LYS 4 HD1 LYS 4 -1.979 -6.886 7.073 37 1HE LYS 4 HE2 LYS 4 -4.543 -7.428 6.602 38 2HE LYS 4 HE1 LYS 4 -3.890 -8.137 5.130 39 1HZ LYS 4 HZ1 LYS 4 -2.237 -9.236 6.778 40 2HZ LYS 4 HZ3 LYS 4 -3.454 -8.924 7.921 41 3HZ LYS 4 HZ2 LYS 4 -3.791 -9.889 6.565 42 H LEU 5 HN LEU 5 -1.875 -2.489 4.314 43 HA LEU 5 HA LEU 5 -0.985 -3.063 1.558 44 1HB LEU 5 HB2 LEU 5 -0.848 -0.747 2.204 45 2HB LEU 5 HB1 LEU 5 -0.034 -1.142 3.707 46 HG LEU 5 HG LEU 5 1.949 -1.966 2.321 47 1HD1 LEU 5 HD13 LEU 5 0.358 -0.657 0.093 48 2HD1 LEU 5 HD12 LEU 5 2.026 -1.195 -0.039 49 3HD1 LEU 5 HD11 LEU 5 0.743 -2.370 0.201 50 1HD2 LEU 5 HD22 LEU 5 1.714 0.363 3.322 51 2HD2 LEU 5 HD21 LEU 5 2.812 0.232 1.953 52 3HD2 LEU 5 HD23 LEU 5 1.199 0.898 1.725 53 H ILE 6 HN ILE 6 1.069 -3.925 1.079 54 HA ILE 6 HA ILE 6 2.510 -5.250 3.295 55 HB ILE 6 HB ILE 6 2.022 -6.491 0.582 56 1HG1 ILE 6 HG12 ILE 6 0.765 -7.238 3.250 57 2HG1 ILE 6 HG11 ILE 6 -0.050 -6.278 2.024 58 1HG2 ILE 6 HG23 ILE 6 3.967 -6.989 2.562 59 2HG2 ILE 6 HG22 ILE 6 2.775 -8.266 2.765 60 3HG2 ILE 6 HG21 ILE 6 3.557 -8.034 1.206 61 1HD1 ILE 6 HD3 ILE 6 1.158 -8.915 1.222 62 2HD1 ILE 6 HD2 ILE 6 -0.382 -8.903 2.070 63 3HD1 ILE 6 HD1 ILE 6 -0.217 -8.067 0.531 64 H LEU 7 HN LEU 7 4.311 -4.026 3.362 65 HA LEU 7 HA LEU 7 5.499 -2.934 0.936 66 1HB LEU 7 HB2 LEU 7 6.354 -2.921 3.825 67 2HB LEU 7 HB1 LEU 7 7.292 -2.161 2.545 68 HG LEU 7 HG LEU 7 4.418 -1.478 2.509 69 1HD1 LEU 7 HD12 LEU 7 6.216 -0.576 4.786 70 2HD1 LEU 7 HD11 LEU 7 4.633 0.102 4.420 71 3HD1 LEU 7 HD13 LEU 7 4.774 -1.573 4.945 72 1HD2 LEU 7 HD21 LEU 7 6.133 -0.403 1.075 73 2HD2 LEU 7 HD23 LEU 7 5.371 0.774 2.139 74 3HD2 LEU 7 HD22 LEU 7 6.978 0.161 2.513 75 H ASN 8 HN ASN 8 6.742 -4.060 -0.398 76 HA ASN 8 HA ASN 8 8.301 -6.347 0.712 77 1HB ASN 8 HB2 ASN 8 6.838 -5.862 -1.750 78 2HB ASN 8 HB1 ASN 8 8.481 -6.365 -2.089 79 1HD2 ASN 8 HD22 ASN 8 5.895 -9.142 -1.163 80 2HD2 ASN 8 HD21 ASN 8 5.547 -7.643 -1.865 81 H GLY 9 HN GLY 9 9.167 -3.698 1.184 82 1HA GLY 9 HA2 GLY 9 11.018 -2.636 -0.649 83 2HA GLY 9 HA1 GLY 9 11.170 -2.470 1.093 84 H LYS 10 HN LYS 10 13.082 -3.085 -1.206 85 HA LYS 10 HA LYS 10 14.083 -5.722 -1.000 86 1HB LYS 10 HB2 LYS 10 15.177 -3.090 -1.825 87 2HB LYS 10 HB1 LYS 10 16.372 -4.298 -1.372 88 1HG LYS 10 HG2 LYS 10 14.122 -5.065 -3.225 89 2HG LYS 10 HG1 LYS 10 15.513 -4.196 -3.860 90 1HD LYS 10 HD2 LYS 10 17.005 -5.929 -3.340 91 2HD LYS 10 HD1 LYS 10 15.947 -6.604 -2.108 92 1HE LYS 10 HE2 LYS 10 15.935 -8.027 -4.120 93 2HE LYS 10 HE1 LYS 10 14.351 -7.305 -3.874 94 1HZ LYS 10 HZ2 LYS 10 16.073 -5.669 -5.465 95 2HZ LYS 10 HZ1 LYS 10 15.814 -7.199 -6.155 96 3HZ LYS 10 HZ3 LYS 10 14.492 -6.203 -5.775 97 H THR 11 HN THR 11 14.661 -2.888 0.997 98 HA THR 11 HA THR 11 16.007 -4.649 3.000 99 HB THR 11 HB THR 11 17.091 -2.266 3.608 100 HG1 THR 11 HG1 THR 11 15.806 -1.295 1.952 101 1HG2 THR 11 HG23 THR 11 17.921 -3.942 1.207 102 2HG2 THR 11 HG22 THR 11 18.948 -2.755 2.008 103 3HG2 THR 11 HG21 THR 11 18.452 -4.212 2.865 104 H LEU 12 HN LEU 12 13.227 -3.139 2.389 105 HA LEU 12 HA LEU 12 12.749 -2.622 5.284 106 1HB LEU 12 HB2 LEU 12 13.277 -0.441 4.155 107 2HB LEU 12 HB1 LEU 12 11.892 -0.701 3.105 108 HG LEU 12 HG LEU 12 10.419 -0.829 5.131 109 1HD1 LEU 12 HD11 LEU 12 13.079 -0.499 6.465 110 2HD1 LEU 12 HD13 LEU 12 11.704 0.329 7.186 111 3HD1 LEU 12 HD12 LEU 12 11.674 -1.421 6.988 112 1HD2 LEU 12 HD21 LEU 12 10.809 1.311 3.876 113 2HD2 LEU 12 HD23 LEU 12 10.430 1.568 5.576 114 3HD2 LEU 12 HD22 LEU 12 12.094 1.699 5.016 115 H LYS 13 HN LYS 13 11.520 -4.537 5.316 116 HA LYS 13 HA LYS 13 9.084 -4.569 3.604 117 1HB LYS 13 HB2 LYS 13 10.402 -6.716 5.272 118 2HB LYS 13 HB1 LYS 13 8.868 -6.935 4.444 119 1HG LYS 13 HG2 LYS 13 10.032 -6.269 2.296 120 2HG LYS 13 HG1 LYS 13 11.553 -6.306 3.180 121 1HD LYS 13 HD2 LYS 13 11.111 -8.677 3.799 122 2HD LYS 13 HD1 LYS 13 9.627 -8.632 2.854 123 1HE LYS 13 HE2 LYS 13 11.258 -9.569 1.390 124 2HE LYS 13 HE1 LYS 13 11.096 -7.895 0.876 125 1HZ LYS 13 HZ1 LYS 13 13.009 -7.645 2.685 126 2HZ LYS 13 HZ3 LYS 13 13.323 -9.233 2.171 127 3HZ LYS 13 HZ2 LYS 13 13.319 -7.961 1.046 128 H GLY 14 HN GLY 14 7.046 -4.507 4.472 129 1HA GLY 14 HA2 GLY 14 6.526 -4.855 7.300 130 2HA GLY 14 HA1 GLY 14 6.541 -3.149 6.860 131 H GLU 15 HN GLU 15 4.272 -3.173 7.494 132 HA GLU 15 HA GLU 15 2.506 -3.386 5.252 133 1HB GLU 15 HB2 GLU 15 1.043 -5.222 6.185 134 2HB GLU 15 HB1 GLU 15 2.598 -5.774 5.578 135 1HG GLU 15 HG2 GLU 15 2.883 -4.999 8.342 136 2HG GLU 15 HG1 GLU 15 1.541 -6.130 8.189 137 H THR 16 HN THR 16 0.700 -2.187 5.627 138 HA THR 16 HA THR 16 -0.209 -1.727 8.396 139 HB THR 16 HB THR 16 1.625 0.006 7.921 140 HG1 THR 16 HG1 THR 16 -0.868 0.149 8.884 141 1HG2 THR 16 HG23 THR 16 0.380 0.313 5.485 142 2HG2 THR 16 HG22 THR 16 -0.390 1.587 6.426 143 3HG2 THR 16 HG21 THR 16 1.361 1.563 6.240 144 H THR 17 HN THR 17 -2.315 -0.854 8.514 145 HA THR 17 HA THR 17 -3.828 -1.103 5.952 146 HB THR 17 HB THR 17 -5.715 -1.768 7.253 147 HG1 THR 17 HG1 THR 17 -5.738 -1.179 9.476 148 1HG2 THR 17 HG23 THR 17 -3.339 -3.105 7.759 149 2HG2 THR 17 HG22 THR 17 -3.850 -2.638 9.376 150 3HG2 THR 17 HG21 THR 17 -4.909 -3.615 8.366 151 H THR 18 HN THR 18 -5.111 0.526 5.202 152 HA THR 18 HA THR 18 -5.298 3.024 6.830 153 HB THR 18 HB THR 18 -3.450 3.039 4.943 154 HG1 THR 18 HG1 THR 18 -5.409 5.040 4.721 155 1HG2 THR 18 HG22 THR 18 -5.372 2.213 3.269 156 2HG2 THR 18 HG21 THR 18 -5.791 3.922 3.274 157 3HG2 THR 18 HG23 THR 18 -4.193 3.408 2.744 158 H GLU 19 HN GLU 19 -7.124 4.317 6.377 159 HA GLU 19 HA GLU 19 -9.381 2.785 5.257 160 1HB GLU 19 HB2 GLU 19 -9.693 3.991 7.373 161 2HB GLU 19 HB1 GLU 19 -9.282 5.509 6.581 162 1HG GLU 19 HG2 GLU 19 -11.285 5.595 5.403 163 2HG GLU 19 HG1 GLU 19 -11.474 3.843 5.394 164 H ALA 20 HN ALA 20 -10.177 3.076 3.270 165 HA ALA 20 HA ALA 20 -9.656 5.647 1.860 166 1HB ALA 20 HB2 ALA 20 -8.611 2.981 1.150 167 2HB ALA 20 HB1 ALA 20 -9.367 3.850 -0.181 168 3HB ALA 20 HB3 ALA 20 -8.021 4.574 0.694 169 H VAL 21 HN VAL 21 -11.376 6.355 0.734 170 HA VAL 21 HA VAL 21 -13.876 4.876 0.916 171 HB VAL 21 HB VAL 21 -14.004 7.262 1.089 172 1HG1 VAL 21 HG12 VAL 21 -12.458 7.211 -1.516 173 2HG1 VAL 21 HG11 VAL 21 -13.278 8.655 -0.934 174 3HG1 VAL 21 HG13 VAL 21 -11.972 7.945 0.009 175 1HG2 VAL 21 HG23 VAL 21 -15.632 5.873 -0.514 176 2HG2 VAL 21 HG22 VAL 21 -15.773 7.622 -0.371 177 3HG2 VAL 21 HG21 VAL 21 -14.921 6.917 -1.741 178 H ASP 22 HN ASP 22 -11.382 5.247 -1.454 179 HA ASP 22 HA ASP 22 -12.849 3.373 -3.223 180 1HB ASP 22 HB2 ASP 22 -12.413 4.754 -5.217 181 2HB ASP 22 HB1 ASP 22 -13.411 5.631 -4.059 182 H ALA 23 HN ALA 23 -11.332 2.809 -5.157 183 HA ALA 23 HA ALA 23 -8.847 1.840 -3.983 184 1HB ALA 23 HB3 ALA 23 -10.063 1.647 -6.741 185 2HB ALA 23 HB2 ALA 23 -8.479 0.977 -6.363 186 3HB ALA 23 HB1 ALA 23 -9.910 0.375 -5.534 187 H ALA 24 HN ALA 24 -9.808 4.540 -5.910 188 HA ALA 24 HA ALA 24 -7.213 5.139 -7.031 189 1HB ALA 24 HB2 ALA 24 -9.684 6.064 -7.543 190 2HB ALA 24 HB1 ALA 24 -9.122 7.355 -6.485 191 3HB ALA 24 HB3 ALA 24 -8.237 6.974 -7.959 192 H THR 25 HN THR 25 -9.002 6.490 -4.267 193 HA THR 25 HA THR 25 -6.861 8.186 -3.394 194 HB THR 25 HB THR 25 -9.356 8.277 -2.659 195 HG1 THR 25 HG1 THR 25 -6.964 8.612 -1.305 196 1HG2 THR 25 HG22 THR 25 -9.025 5.765 -1.740 197 2HG2 THR 25 HG21 THR 25 -8.407 6.634 -0.340 198 3HG2 THR 25 HG23 THR 25 -10.054 6.914 -0.892 199 H ALA 26 HN ALA 26 -7.575 4.812 -2.908 200 HA ALA 26 HA ALA 26 -5.829 4.404 -0.650 201 1HB ALA 26 HB3 ALA 26 -7.641 2.823 -1.397 202 2HB ALA 26 HB2 ALA 26 -6.609 2.378 -2.752 203 3HB ALA 26 HB1 ALA 26 -6.087 2.047 -1.102 204 H GLU 27 HN GLU 27 -5.383 4.437 -4.112 205 HA GLU 27 HA GLU 27 -2.781 3.246 -4.196 206 1HB GLU 27 HB2 GLU 27 -4.416 4.952 -6.014 207 2HB GLU 27 HB1 GLU 27 -2.696 4.821 -6.348 208 1HG GLU 27 HG2 GLU 27 -2.878 2.355 -6.359 209 2HG GLU 27 HG1 GLU 27 -4.599 2.480 -6.004 210 H LYS 28 HN LYS 28 -3.755 6.676 -4.233 211 HA LYS 28 HA LYS 28 -0.992 7.562 -3.977 212 1HB LYS 28 HB2 LYS 28 -1.803 9.701 -4.287 213 2HB LYS 28 HB1 LYS 28 -3.110 8.775 -5.011 214 1HG LYS 28 HG2 LYS 28 -4.162 8.773 -2.638 215 2HG LYS 28 HG1 LYS 28 -3.016 10.063 -2.279 216 1HD LYS 28 HD2 LYS 28 -3.877 11.314 -4.280 217 2HD LYS 28 HD1 LYS 28 -5.093 10.060 -4.496 218 1HE LYS 28 HE2 LYS 28 -4.798 11.500 -1.856 219 2HE LYS 28 HE1 LYS 28 -5.769 12.178 -3.155 220 1HZ LYS 28 HZ1 LYS 28 -7.003 10.061 -3.214 221 2HZ LYS 28 HZ3 LYS 28 -6.139 9.548 -1.844 222 3HZ LYS 28 HZ2 LYS 28 -7.165 10.899 -1.745 223 H VAL 29 HN VAL 29 -3.596 6.878 -1.753 224 HA VAL 29 HA VAL 29 -2.563 8.350 0.486 225 HB VAL 29 HB VAL 29 -4.354 5.938 0.269 226 1HG1 VAL 29 HG13 VAL 29 -3.190 7.277 2.710 227 2HG1 VAL 29 HG12 VAL 29 -4.762 6.487 2.779 228 3HG1 VAL 29 HG11 VAL 29 -3.326 5.555 2.368 229 1HG2 VAL 29 HG21 VAL 29 -4.895 8.532 -0.202 230 2HG2 VAL 29 HG23 VAL 29 -6.077 7.456 0.537 231 3HG2 VAL 29 HG22 VAL 29 -5.109 8.527 1.545 232 H PHE 30 HN PHE 30 -2.448 4.818 -0.044 233 HA PHE 30 HA PHE 30 -0.514 4.276 1.945 234 1HB PHE 30 HB2 PHE 30 -1.330 2.896 -0.591 235 2HB PHE 30 HB1 PHE 30 0.125 2.344 0.229 236 HD1 PHE 30 HD1 PHE 30 -0.273 2.227 2.971 237 HD2 PHE 30 HD2 PHE 30 -3.261 1.709 -0.027 238 HE1 PHE 30 HE1 PHE 30 -1.669 0.976 4.562 239 HE2 PHE 30 HE2 PHE 30 -4.623 0.443 1.566 240 HZ PHE 30 HZ PHE 30 -3.823 0.039 3.849 241 H LYS 31 HN LYS 31 -0.160 5.486 -1.313 242 HA LYS 31 HA LYS 31 2.669 5.111 -1.555 243 1HB LYS 31 HB2 LYS 31 1.101 5.689 -3.437 244 2HB LYS 31 HB1 LYS 31 1.019 7.326 -2.790 245 1HG LYS 31 HG2 LYS 31 3.405 7.637 -3.101 246 2HG LYS 31 HG1 LYS 31 3.615 5.946 -3.540 247 1HD LYS 31 HD2 LYS 31 2.262 6.257 -5.552 248 2HD LYS 31 HD1 LYS 31 1.902 7.917 -5.090 249 1HE LYS 31 HE2 LYS 31 3.929 8.678 -5.800 250 2HE LYS 31 HE1 LYS 31 4.783 7.288 -5.141 251 1HZ LYS 31 HZ3 LYS 31 3.204 7.290 -7.653 252 2HZ LYS 31 HZ2 LYS 31 4.898 7.380 -7.557 253 3HZ LYS 31 HZ1 LYS 31 4.091 5.983 -7.028 254 H GLN 32 HN GLN 32 0.700 7.712 -0.226 255 HA GLN 32 HA GLN 32 2.782 9.594 0.233 256 1HB GLN 32 HB2 GLN 32 0.369 10.111 0.490 257 2HB GLN 32 HB1 GLN 32 0.317 9.089 1.923 258 1HG GLN 32 HG2 GLN 32 1.907 10.527 3.076 259 2HG GLN 32 HG1 GLN 32 2.168 11.477 1.616 260 1HE2 GLN 32 HE22 GLN 32 -0.247 13.601 3.206 261 2HE2 GLN 32 HE21 GLN 32 1.421 13.338 3.032 262 OH TYR 33 OH TYR 33 5.177 2.808 8.307 263 H TYR 33 HN TYR 33 1.796 6.725 1.950 264 HA TYR 33 HA TYR 33 3.344 7.229 4.339 265 1HB TYR 33 HB2 TYR 33 1.468 5.623 4.310 266 2HB TYR 33 HB1 TYR 33 2.359 4.611 3.178 267 HD1 TYR 33 HD1 TYR 33 4.409 3.439 3.893 268 HD2 TYR 33 HD2 TYR 33 2.111 5.705 6.660 269 HE1 TYR 33 HE1 TYR 33 5.584 2.358 5.749 270 HE2 TYR 33 HE2 TYR 33 3.287 4.623 8.521 271 HH TYR 33 HH TYR 33 5.261 1.874 8.100 272 H ALA 34 HN ALA 34 3.854 4.861 1.740 273 HA ALA 34 HA ALA 34 6.436 4.045 2.348 274 1HB ALA 34 HB1 ALA 34 5.051 4.483 -0.286 275 2HB ALA 34 HB3 ALA 34 6.721 3.931 -0.240 276 3HB ALA 34 HB2 ALA 34 5.454 2.964 0.509 277 H ASN 35 HN ASN 35 5.437 7.034 0.788 278 HA ASN 35 HA ASN 35 7.926 7.991 -0.115 279 1HB ASN 35 HB2 ASN 35 5.721 9.112 -0.488 280 2HB ASN 35 HB1 ASN 35 5.754 9.653 1.187 281 1HD2 ASN 35 HD22 ASN 35 7.993 12.296 0.558 282 2HD2 ASN 35 HD21 ASN 35 7.026 11.480 1.689 283 H ASP 36 HN ASP 36 6.543 8.033 3.123 284 HA ASP 36 HA ASP 36 8.653 9.638 4.286 285 1HB ASP 36 HB2 ASP 36 6.338 8.066 5.274 286 2HB ASP 36 HB1 ASP 36 7.659 8.304 6.416 287 H ASN 37 HN ASN 37 9.143 6.959 2.761 288 HA ASN 37 HA ASN 37 11.226 6.013 4.666 289 1HB ASN 37 HB2 ASN 37 9.480 4.107 3.097 290 2HB ASN 37 HB1 ASN 37 10.658 3.701 4.342 291 1HD2 ASN 37 HD22 ASN 37 6.901 4.785 5.398 292 2HD2 ASN 37 HD21 ASN 37 7.372 4.674 3.771 293 H GLY 38 HN GLY 38 9.920 5.569 1.399 294 1HA GLY 38 HA2 GLY 38 11.474 6.389 -0.450 295 2HA GLY 38 HA1 GLY 38 12.732 5.474 0.372 296 H VAL 39 HN VAL 39 9.554 4.156 0.348 297 HA VAL 39 HA VAL 39 10.505 2.010 -1.477 298 HB VAL 39 HB VAL 39 8.009 2.025 0.228 299 1HG1 VAL 39 HG13 VAL 39 8.122 0.370 -1.629 300 2HG1 VAL 39 HG12 VAL 39 9.659 -0.213 -0.998 301 3HG1 VAL 39 HG11 VAL 39 8.186 -0.416 -0.055 302 1HG2 VAL 39 HG22 VAL 39 10.864 1.659 0.915 303 2HG2 VAL 39 HG21 VAL 39 9.500 2.037 1.963 304 3HG2 VAL 39 HG23 VAL 39 9.805 0.371 1.483 305 H ASP 40 HN ASP 40 10.190 3.615 -3.273 306 HA ASP 40 HA ASP 40 7.337 3.583 -4.198 307 1HB ASP 40 HB2 ASP 40 9.460 5.710 -4.468 308 2HB ASP 40 HB1 ASP 40 8.056 5.663 -5.532 309 H GLY 41 HN GLY 41 7.037 2.374 -5.948 310 1HA GLY 41 HA2 GLY 41 8.761 2.475 -8.253 311 2HA GLY 41 HA1 GLY 41 9.048 0.991 -7.347 312 H GLU 42 HN GLU 42 7.578 -0.653 -7.475 313 HA GLU 42 HA GLU 42 5.377 -0.280 -9.443 314 1HB GLU 42 HB2 GLU 42 6.324 -2.868 -8.221 315 2HB GLU 42 HB1 GLU 42 5.392 -2.656 -9.697 316 1HG GLU 42 HG2 GLU 42 7.478 -1.192 -10.431 317 2HG GLU 42 HG1 GLU 42 8.315 -2.150 -9.212 318 CH2 TRP 43 CH2 TRP 43 2.121 2.552 -2.081 319 H TRP 43 HN TRP 43 3.249 -0.611 -8.911 320 HA TRP 43 HA TRP 43 2.667 -1.191 -6.028 321 1HB TRP 43 HB2 TRP 43 1.595 0.933 -7.857 322 2HB TRP 43 HB1 TRP 43 0.653 0.385 -6.479 323 HD1 TRP 43 HD1 TRP 43 4.199 1.698 -7.280 324 HE1 TRP 43 HE1 TRP 43 4.980 2.956 -5.216 325 HE3 TRP 43 HE3 TRP 43 0.327 0.776 -4.296 326 HZ2 TRP 43 HZ2 TRP 43 4.023 3.442 -2.457 327 HZ3 TRP 43 HZ3 TRP 43 0.233 1.560 -1.984 328 HH2 TRP 43 HH2 TRP 43 2.077 2.897 -1.058 329 H THR 44 HN THR 44 1.150 -2.669 -5.618 330 HA THR 44 HA THR 44 -0.465 -3.702 -7.925 331 HB THR 44 HB THR 44 -0.337 -5.936 -6.554 332 HG1 THR 44 HG1 THR 44 0.578 -4.635 -4.777 333 1HG2 THR 44 HG21 THR 44 2.162 -4.722 -7.804 334 2HG2 THR 44 HG23 THR 44 1.959 -6.432 -7.433 335 3HG2 THR 44 HG22 THR 44 0.949 -5.671 -8.659 336 OH TYR 45 OH TYR 45 -9.013 -1.434 -3.118 337 H TYR 45 HN TYR 45 -2.409 -4.954 -7.169 338 HA TYR 45 HA TYR 45 -3.594 -3.912 -4.642 339 1HB TYR 45 HB2 TYR 45 -4.157 -2.476 -6.726 340 2HB TYR 45 HB1 TYR 45 -5.127 -3.851 -7.255 341 HD1 TYR 45 HD1 TYR 45 -6.623 -4.788 -4.949 342 HD2 TYR 45 HD2 TYR 45 -5.485 -0.797 -5.863 343 HE1 TYR 45 HE1 TYR 45 -8.410 -3.952 -3.521 344 HE2 TYR 45 HE2 TYR 45 -7.319 0.036 -4.479 345 HH TYR 45 HH TYR 45 -9.838 -1.584 -3.588 346 H ASP 46 HN ASP 46 -4.569 -5.542 -3.577 347 HA ASP 46 HA ASP 46 -5.238 -8.031 -5.104 348 1HB ASP 46 HB2 ASP 46 -3.516 -8.023 -3.156 349 2HB ASP 46 HB1 ASP 46 -4.929 -7.897 -2.113 350 H ASP 47 HN ASP 47 -7.308 -7.110 -5.712 351 HA ASP 47 HA ASP 47 -9.241 -6.317 -3.709 352 1HB ASP 47 HB2 ASP 47 -9.295 -5.675 -6.162 353 2HB ASP 47 HB1 ASP 47 -9.831 -7.319 -6.502 354 H ALA 48 HN ALA 48 -7.871 -9.207 -4.113 355 HA ALA 48 HA ALA 48 -10.226 -10.933 -4.068 356 1HB ALA 48 HB3 ALA 48 -7.802 -11.499 -4.849 357 2HB ALA 48 HB2 ALA 48 -7.496 -11.780 -3.139 358 3HB ALA 48 HB1 ALA 48 -8.718 -12.727 -3.981 359 H THR 49 HN THR 49 -8.103 -9.445 -1.716 360 HA THR 49 HA THR 49 -9.991 -10.291 0.422 361 HB THR 49 HB THR 49 -8.007 -10.872 1.903 362 HG1 THR 49 HG1 THR 49 -6.865 -10.120 -0.541 363 1HG2 THR 49 HG22 THR 49 -9.214 -12.660 0.502 364 2HG2 THR 49 HG21 THR 49 -7.954 -12.428 -0.706 365 3HG2 THR 49 HG23 THR 49 -7.538 -13.027 0.896 366 H LYS 50 HN LYS 50 -9.126 -7.782 -1.074 367 HA LYS 50 HA LYS 50 -8.791 -5.523 -0.557 368 1HB LYS 50 HB2 LYS 50 -9.689 -6.392 2.202 369 2HB LYS 50 HB1 LYS 50 -9.688 -4.748 1.581 370 1HG LYS 50 HG2 LYS 50 -11.652 -5.068 0.505 371 2HG LYS 50 HG1 LYS 50 -11.082 -6.562 -0.228 372 1HD LYS 50 HD2 LYS 50 -13.019 -6.982 1.261 373 2HD LYS 50 HD1 LYS 50 -11.572 -7.786 1.861 374 1HE LYS 50 HE2 LYS 50 -11.496 -6.496 3.734 375 2HE LYS 50 HE1 LYS 50 -11.868 -5.027 2.842 376 1HZ LYS 50 HZ2 LYS 50 -14.104 -6.783 2.946 377 2HZ LYS 50 HZ1 LYS 50 -13.550 -6.394 4.504 378 3HZ LYS 50 HZ3 LYS 50 -13.983 -5.158 3.424 379 H THR 51 HN THR 51 -6.484 -6.417 -0.809 380 HA THR 51 HA THR 51 -4.939 -5.491 1.567 381 HB THR 51 HB THR 51 -4.704 -8.194 0.200 382 HG1 THR 51 HG1 THR 51 -5.684 -8.496 2.052 383 1HG2 THR 51 HG21 THR 51 -2.660 -6.839 2.003 384 2HG2 THR 51 HG23 THR 51 -2.619 -8.521 1.504 385 3HG2 THR 51 HG22 THR 51 -2.385 -7.246 0.316 386 H PHE 52 HN PHE 52 -3.707 -3.831 0.809 387 HA PHE 52 HA PHE 52 -3.057 -3.637 -2.032 388 1HB PHE 52 HB2 PHE 52 -3.045 -1.885 0.270 389 2HB PHE 52 HB1 PHE 52 -1.549 -1.744 -0.645 390 HD1 PHE 52 HD1 PHE 52 -1.601 -1.047 -3.039 391 HD2 PHE 52 HD2 PHE 52 -5.158 -1.273 -0.737 392 HE1 PHE 52 HE1 PHE 52 -2.819 0.220 -4.767 393 HE2 PHE 52 HE2 PHE 52 -6.326 0.098 -2.374 394 HZ PHE 52 HZ PHE 52 -5.146 0.903 -4.366 395 H THR 53 HN THR 53 -0.748 -3.276 -2.710 396 HA THR 53 HA THR 53 1.331 -4.331 -0.943 397 HB THR 53 HB THR 53 0.443 -5.928 -3.375 398 HG1 THR 53 HG1 THR 53 -0.700 -6.684 -1.736 399 1HG2 THR 53 HG23 THR 53 2.872 -6.060 -1.569 400 2HG2 THR 53 HG22 THR 53 2.230 -7.519 -2.319 401 3HG2 THR 53 HG21 THR 53 2.822 -6.199 -3.323 402 H VAL 54 HN VAL 54 3.313 -3.595 -1.528 403 HA VAL 54 HA VAL 54 3.633 -2.478 -4.283 404 HB VAL 54 HB VAL 54 3.098 -0.662 -2.580 405 1HG1 VAL 54 HG12 VAL 54 4.421 -1.855 -0.766 406 2HG1 VAL 54 HG11 VAL 54 5.879 -1.264 -1.552 407 3HG1 VAL 54 HG13 VAL 54 4.705 -0.127 -0.898 408 1HG2 VAL 54 HG22 VAL 54 5.761 -0.700 -4.020 409 2HG2 VAL 54 HG21 VAL 54 4.252 0.010 -4.566 410 3HG2 VAL 54 HG23 VAL 54 5.130 0.741 -3.234 411 H THR 55 HN THR 55 5.798 -2.521 -5.031 412 HA THR 55 HA THR 55 7.753 -3.946 -3.286 413 HB THR 55 HB THR 55 7.308 -4.774 -6.176 414 HG1 THR 55 HG1 THR 55 5.987 -6.368 -5.234 415 1HG2 THR 55 HG23 THR 55 9.192 -5.508 -4.140 416 2HG2 THR 55 HG22 THR 55 8.049 -6.838 -4.308 417 3HG2 THR 55 HG21 THR 55 8.956 -6.277 -5.702 418 H GLU 56 HN GLU 56 9.510 -2.694 -3.218 419 HA GLU 56 HA GLU 56 10.064 -0.551 -5.002 420 1HB GLU 56 HB2 GLU 56 11.119 -1.415 -2.631 421 2HB GLU 56 HB1 GLU 56 12.418 -1.809 -3.748 422 1HG GLU 56 HG2 GLU 56 12.321 0.521 -4.635 423 2HG GLU 56 HG1 GLU 56 11.078 0.900 -3.447 Start of MODEL 56 Raw file had 423 H/Q atoms Entry Start of MODEL 56 1 1H MET 1 HT3 MET 1 -13.319 -1.905 5.060 2 2H MET 1 HT2 MET 1 -13.959 -0.728 6.104 3 3H MET 1 HT1 MET 1 -14.942 -1.425 4.906 4 HA MET 1 HA MET 1 -13.686 -0.400 3.172 5 1HB MET 1 HB2 MET 1 -13.992 1.844 5.127 6 2HB MET 1 HB1 MET 1 -14.482 1.764 3.439 7 1HG MET 1 HG2 MET 1 -16.145 -0.033 4.175 8 2HG MET 1 HG1 MET 1 -15.786 0.438 5.814 9 1HE MET 1 HE3 MET 1 -17.187 1.256 2.459 10 2HE MET 1 HE2 MET 1 -18.484 0.549 3.422 11 3HE MET 1 HE1 MET 1 -18.621 2.210 2.843 12 H THR 2 HN THR 2 -11.657 -1.598 4.636 13 HA THR 2 HA THR 2 -9.570 0.505 4.436 14 HB THR 2 HB THR 2 -9.702 -1.362 6.833 15 HG1 THR 2 HG1 THR 2 -10.430 0.633 7.823 16 1HG2 THR 2 HG22 THR 2 -7.553 0.029 5.937 17 2HG2 THR 2 HG21 THR 2 -8.385 1.317 6.804 18 3HG2 THR 2 HG23 THR 2 -7.899 -0.146 7.655 19 OH TYR 3 OH TYR 3 -11.396 0.566 -1.100 20 H TYR 3 HN TYR 3 -7.945 -0.255 3.204 21 HA TYR 3 HA TYR 3 -7.775 -3.187 2.766 22 1HB TYR 3 HB2 TYR 3 -6.050 -1.147 1.376 23 2HB TYR 3 HB1 TYR 3 -6.578 -2.723 0.795 24 HD1 TYR 3 HD1 TYR 3 -7.704 0.734 1.517 25 HD2 TYR 3 HD2 TYR 3 -8.728 -2.990 -0.258 26 HE1 TYR 3 HE1 TYR 3 -9.657 1.770 0.460 27 HE2 TYR 3 HE2 TYR 3 -10.678 -1.953 -1.319 28 HH TYR 3 HH TYR 3 -12.136 0.501 -0.491 29 H LYS 4 HN LYS 4 -5.432 -4.004 2.501 30 HA LYS 4 HA LYS 4 -3.805 -2.978 4.793 31 1HB LYS 4 HB2 LYS 4 -5.004 -5.218 5.105 32 2HB LYS 4 HB1 LYS 4 -3.939 -5.858 3.876 33 1HG LYS 4 HG2 LYS 4 -2.570 -4.373 6.065 34 2HG LYS 4 HG1 LYS 4 -3.344 -5.873 6.546 35 1HD LYS 4 HD2 LYS 4 -1.636 -5.835 4.071 36 2HD LYS 4 HD1 LYS 4 -0.866 -5.907 5.650 37 1HE LYS 4 HE2 LYS 4 -3.125 -7.779 4.949 38 2HE LYS 4 HE1 LYS 4 -1.469 -8.154 4.492 39 1HZ LYS 4 HZ2 LYS 4 -1.193 -7.456 7.065 40 2HZ LYS 4 HZ1 LYS 4 -2.720 -8.198 7.086 41 3HZ LYS 4 HZ3 LYS 4 -1.368 -9.051 6.513 42 H LEU 5 HN LEU 5 -1.962 -2.113 4.041 43 HA LEU 5 HA LEU 5 -0.935 -2.862 1.400 44 1HB LEU 5 HB2 LEU 5 -0.816 -0.524 1.984 45 2HB LEU 5 HB1 LEU 5 -0.032 -0.878 3.514 46 HG LEU 5 HG LEU 5 1.975 -1.746 2.185 47 1HD1 LEU 5 HD12 LEU 5 0.418 -0.498 -0.101 48 2HD1 LEU 5 HD11 LEU 5 2.095 -1.016 -0.192 49 3HD1 LEU 5 HD13 LEU 5 0.822 -2.204 0.052 50 1HD2 LEU 5 HD21 LEU 5 1.723 0.609 3.127 51 2HD2 LEU 5 HD23 LEU 5 2.856 0.438 1.790 52 3HD2 LEU 5 HD22 LEU 5 1.256 1.103 1.506 53 H ILE 6 HN ILE 6 1.110 -3.750 0.997 54 HA ILE 6 HA ILE 6 2.515 -4.994 3.279 55 HB ILE 6 HB ILE 6 1.828 -6.255 0.621 56 1HG1 ILE 6 HG12 ILE 6 1.352 -7.419 3.353 57 2HG1 ILE 6 HG11 ILE 6 0.252 -6.197 2.736 58 1HG2 ILE 6 HG21 ILE 6 3.990 -6.800 2.587 59 2HG2 ILE 6 HG23 ILE 6 3.098 -8.208 2.025 60 3HG2 ILE 6 HG22 ILE 6 3.921 -7.171 0.867 61 1HD1 ILE 6 HD3 ILE 6 0.997 -8.662 1.141 62 2HD1 ILE 6 HD2 ILE 6 -0.397 -8.610 2.215 63 3HD1 ILE 6 HD1 ILE 6 -0.314 -7.532 0.826 64 H LEU 7 HN LEU 7 4.304 -3.744 3.357 65 HA LEU 7 HA LEU 7 5.551 -2.708 0.934 66 1HB LEU 7 HB2 LEU 7 6.243 -2.575 3.856 67 2HB LEU 7 HB1 LEU 7 7.312 -1.924 2.620 68 HG LEU 7 HG LEU 7 4.433 -1.171 2.435 69 1HD1 LEU 7 HD11 LEU 7 6.331 -0.070 4.534 70 2HD1 LEU 7 HD13 LEU 7 4.787 0.658 4.101 71 3HD1 LEU 7 HD12 LEU 7 4.830 -0.938 4.842 72 1HD2 LEU 7 HD23 LEU 7 6.366 -0.438 0.904 73 2HD2 LEU 7 HD22 LEU 7 5.349 0.848 1.545 74 3HD2 LEU 7 HD21 LEU 7 6.927 0.535 2.259 75 H ASN 8 HN ASN 8 6.720 -3.965 -0.347 76 HA ASN 8 HA ASN 8 8.364 -6.125 0.887 77 1HB ASN 8 HB2 ASN 8 6.751 -5.893 -1.523 78 2HB ASN 8 HB1 ASN 8 8.370 -6.438 -1.900 79 1HD2 ASN 8 HD22 ASN 8 5.879 -9.127 -0.627 80 2HD2 ASN 8 HD21 ASN 8 5.522 -7.737 -1.523 81 H GLY 9 HN GLY 9 9.249 -3.476 1.086 82 1HA GLY 9 HA2 GLY 9 10.945 -2.561 -0.979 83 2HA GLY 9 HA1 GLY 9 11.204 -2.219 0.726 84 H LYS 10 HN LYS 10 13.074 -2.931 -1.501 85 HA LYS 10 HA LYS 10 14.071 -5.589 -1.081 86 1HB LYS 10 HB2 LYS 10 15.393 -3.082 -2.141 87 2HB LYS 10 HB1 LYS 10 16.175 -4.658 -2.134 88 1HG LYS 10 HG2 LYS 10 14.228 -5.572 -3.431 89 2HG LYS 10 HG1 LYS 10 13.575 -3.940 -3.528 90 1HD LYS 10 HD2 LYS 10 14.872 -3.569 -5.337 91 2HD LYS 10 HD1 LYS 10 16.295 -3.764 -4.319 92 1HE LYS 10 HE2 LYS 10 14.803 -5.974 -5.769 93 2HE LYS 10 HE1 LYS 10 16.403 -5.362 -6.169 94 1HZ LYS 10 HZ1 LYS 10 16.099 -6.229 -3.435 95 2HZ LYS 10 HZ3 LYS 10 15.932 -7.468 -4.586 96 3HZ LYS 10 HZ2 LYS 10 17.349 -6.533 -4.543 97 H THR 11 HN THR 11 15.033 -2.445 0.242 98 HA THR 11 HA THR 11 16.802 -3.835 2.182 99 HB THR 11 HB THR 11 17.265 -1.236 2.714 100 HG1 THR 11 HG1 THR 11 15.440 -0.920 1.135 101 1HG2 THR 11 HG21 THR 11 18.226 -2.975 0.454 102 2HG2 THR 11 HG23 THR 11 18.701 -1.279 0.465 103 3HG2 THR 11 HG22 THR 11 19.144 -2.327 1.810 104 H LEU 12 HN LEU 12 13.650 -3.125 2.025 105 HA LEU 12 HA LEU 12 13.405 -3.048 4.955 106 1HB LEU 12 HB2 LEU 12 13.638 -0.627 4.055 107 2HB LEU 12 HB1 LEU 12 12.009 -0.860 3.430 108 HG LEU 12 HG LEU 12 11.700 -1.802 5.971 109 1HD1 LEU 12 HD13 LEU 12 14.053 -1.168 6.526 110 2HD1 LEU 12 HD12 LEU 12 13.672 0.505 6.130 111 3HD1 LEU 12 HD11 LEU 12 12.883 -0.278 7.495 112 1HD2 LEU 12 HD23 LEU 12 11.421 0.974 4.809 113 2HD2 LEU 12 HD22 LEU 12 10.161 -0.224 5.088 114 3HD2 LEU 12 HD21 LEU 12 10.895 0.615 6.451 115 H LYS 13 HN LYS 13 11.321 -3.612 5.690 116 HA LYS 13 HA LYS 13 9.250 -4.191 3.658 117 1HB LYS 13 HB2 LYS 13 10.376 -6.325 5.490 118 2HB LYS 13 HB1 LYS 13 9.006 -6.529 4.405 119 1HG LYS 13 HG2 LYS 13 10.571 -5.833 2.506 120 2HG LYS 13 HG1 LYS 13 11.894 -5.998 3.656 121 1HD LYS 13 HD2 LYS 13 10.606 -8.354 4.077 122 2HD LYS 13 HD1 LYS 13 10.225 -8.097 2.378 123 1HE LYS 13 HE2 LYS 13 13.009 -8.057 3.592 124 2HE LYS 13 HE1 LYS 13 12.337 -9.355 2.615 125 1HZ LYS 13 HZ3 LYS 13 11.952 -7.408 0.938 126 2HZ LYS 13 HZ2 LYS 13 13.223 -6.687 1.805 127 3HZ LYS 13 HZ1 LYS 13 13.457 -8.188 1.043 128 H GLY 14 HN GLY 14 7.216 -3.962 4.464 129 1HA GLY 14 HA2 GLY 14 6.672 -4.209 7.328 130 2HA GLY 14 HA1 GLY 14 6.618 -2.547 6.747 131 H GLU 15 HN GLU 15 4.347 -2.652 7.411 132 HA GLU 15 HA GLU 15 2.587 -3.078 5.202 133 1HB GLU 15 HB2 GLU 15 1.227 -4.940 6.285 134 2HB GLU 15 HB1 GLU 15 2.774 -5.430 5.605 135 1HG GLU 15 HG2 GLU 15 3.543 -6.069 7.639 136 2HG GLU 15 HG1 GLU 15 3.082 -4.530 8.361 137 H THR 16 HN THR 16 0.776 -1.889 5.522 138 HA THR 16 HA THR 16 -0.194 -1.387 8.268 139 HB THR 16 HB THR 16 1.418 0.438 8.075 140 HG1 THR 16 HG1 THR 16 -0.108 2.074 8.246 141 1HG2 THR 16 HG23 THR 16 0.904 0.277 5.318 142 2HG2 THR 16 HG22 THR 16 0.139 1.782 5.810 143 3HG2 THR 16 HG21 THR 16 1.855 1.526 6.110 144 H THR 17 HN THR 17 -2.325 -0.512 8.317 145 HA THR 17 HA THR 17 -3.777 -0.870 5.734 146 HB THR 17 HB THR 17 -5.771 -1.382 7.105 147 HG1 THR 17 HG1 THR 17 -5.385 -0.057 8.835 148 1HG2 THR 17 HG22 THR 17 -3.200 -2.833 7.713 149 2HG2 THR 17 HG21 THR 17 -4.625 -3.210 8.672 150 3HG2 THR 17 HG23 THR 17 -4.650 -3.444 6.928 151 H THR 18 HN THR 18 -5.062 0.710 4.930 152 HA THR 18 HA THR 18 -5.284 3.239 6.522 153 HB THR 18 HB THR 18 -3.586 3.218 4.505 154 HG1 THR 18 HG1 THR 18 -4.982 4.947 5.737 155 1HG2 THR 18 HG23 THR 18 -5.602 2.272 3.015 156 2HG2 THR 18 HG22 THR 18 -6.067 3.971 2.979 157 3HG2 THR 18 HG21 THR 18 -4.498 3.472 2.354 158 H GLU 19 HN GLU 19 -7.185 4.408 6.282 159 HA GLU 19 HA GLU 19 -9.466 2.834 5.253 160 1HB GLU 19 HB2 GLU 19 -9.382 5.449 6.784 161 2HB GLU 19 HB1 GLU 19 -10.844 4.551 6.389 162 1HG GLU 19 HG2 GLU 19 -10.109 2.655 7.720 163 2HG GLU 19 HG1 GLU 19 -8.533 3.394 7.985 164 H ALA 20 HN ALA 20 -10.259 3.168 3.278 165 HA ALA 20 HA ALA 20 -10.160 5.910 2.124 166 1HB ALA 20 HB2 ALA 20 -8.537 3.715 1.266 167 2HB ALA 20 HB1 ALA 20 -9.713 4.062 0.001 168 3HB ALA 20 HB3 ALA 20 -8.637 5.332 0.574 169 H VAL 21 HN VAL 21 -11.705 6.236 0.403 170 HA VAL 21 HA VAL 21 -14.122 4.587 0.806 171 HB VAL 21 HB VAL 21 -14.636 6.883 0.831 172 1HG1 VAL 21 HG11 VAL 21 -12.495 6.987 -1.241 173 2HG1 VAL 21 HG13 VAL 21 -13.774 8.191 -1.367 174 3HG1 VAL 21 HG12 VAL 21 -12.807 8.083 0.101 175 1HG2 VAL 21 HG21 VAL 21 -15.914 5.389 -0.902 176 2HG2 VAL 21 HG23 VAL 21 -16.132 7.134 -0.972 177 3HG2 VAL 21 HG22 VAL 21 -15.046 6.336 -2.105 178 H ASP 22 HN ASP 22 -11.656 5.144 -1.567 179 HA ASP 22 HA ASP 22 -12.833 2.990 -3.229 180 1HB ASP 22 HB2 ASP 22 -12.586 4.304 -5.298 181 2HB ASP 22 HB1 ASP 22 -13.704 5.095 -4.190 182 H ALA 23 HN ALA 23 -11.267 2.360 -5.008 183 HA ALA 23 HA ALA 23 -8.701 1.811 -3.836 184 1HB ALA 23 HB2 ALA 23 -9.916 1.407 -6.551 185 2HB ALA 23 HB1 ALA 23 -8.196 1.119 -6.314 186 3HB ALA 23 HB3 ALA 23 -9.378 0.200 -5.388 187 H ALA 24 HN ALA 24 -9.904 4.465 -5.635 188 HA ALA 24 HA ALA 24 -7.438 5.337 -6.835 189 1HB ALA 24 HB1 ALA 24 -10.022 6.139 -7.044 190 2HB ALA 24 HB3 ALA 24 -9.381 7.412 -6.011 191 3HB ALA 24 HB2 ALA 24 -8.658 7.113 -7.588 192 H THR 25 HN THR 25 -9.148 6.752 -4.038 193 HA THR 25 HA THR 25 -6.908 8.288 -3.173 194 HB THR 25 HB THR 25 -8.918 9.010 -2.166 195 HG1 THR 25 HG1 THR 25 -7.101 8.447 -0.690 196 1HG2 THR 25 HG23 THR 25 -9.433 6.059 -1.905 197 2HG2 THR 25 HG22 THR 25 -10.184 7.148 -0.743 198 3HG2 THR 25 HG21 THR 25 -10.526 7.321 -2.461 199 H ALA 26 HN ALA 26 -7.543 4.935 -2.955 200 HA ALA 26 HA ALA 26 -5.902 4.462 -0.590 201 1HB ALA 26 HB2 ALA 26 -7.734 2.920 -1.463 202 2HB ALA 26 HB1 ALA 26 -6.607 2.448 -2.730 203 3HB ALA 26 HB3 ALA 26 -6.217 2.133 -1.041 204 H GLU 27 HN GLU 27 -5.408 4.415 -4.080 205 HA GLU 27 HA GLU 27 -2.771 3.304 -4.046 206 1HB GLU 27 HB2 GLU 27 -4.282 5.041 -5.990 207 2HB GLU 27 HB1 GLU 27 -2.607 4.603 -6.283 208 1HG GLU 27 HG2 GLU 27 -3.244 2.184 -6.031 209 2HG GLU 27 HG1 GLU 27 -4.926 2.687 -5.893 210 H LYS 28 HN LYS 28 -3.941 6.651 -3.959 211 HA LYS 28 HA LYS 28 -1.233 7.740 -3.850 212 1HB LYS 28 HB2 LYS 28 -2.268 9.881 -3.748 213 2HB LYS 28 HB1 LYS 28 -3.291 8.916 -4.805 214 1HG LYS 28 HG2 LYS 28 -4.617 8.326 -2.663 215 2HG LYS 28 HG1 LYS 28 -3.775 9.680 -1.921 216 1HD LYS 28 HD2 LYS 28 -5.465 9.813 -4.443 217 2HD LYS 28 HD1 LYS 28 -5.947 10.403 -2.857 218 1HE LYS 28 HE2 LYS 28 -3.593 11.699 -3.089 219 2HE LYS 28 HE1 LYS 28 -3.996 11.554 -4.796 220 1HZ LYS 28 HZ1 LYS 28 -6.329 12.343 -3.744 221 2HZ LYS 28 HZ3 LYS 28 -5.228 13.154 -2.737 222 3HZ LYS 28 HZ2 LYS 28 -5.174 13.392 -4.419 223 H VAL 29 HN VAL 29 -3.840 7.165 -1.520 224 HA VAL 29 HA VAL 29 -2.706 8.460 0.719 225 HB VAL 29 HB VAL 29 -4.461 6.027 0.457 226 1HG1 VAL 29 HG13 VAL 29 -3.170 7.202 2.917 227 2HG1 VAL 29 HG12 VAL 29 -4.743 6.420 3.021 228 3HG1 VAL 29 HG11 VAL 29 -3.342 5.509 2.471 229 1HG2 VAL 29 HG23 VAL 29 -5.087 8.603 0.155 230 2HG2 VAL 29 HG22 VAL 29 -6.183 7.503 0.984 231 3HG2 VAL 29 HG21 VAL 29 -5.128 8.562 1.914 232 H PHE 30 HN PHE 30 -2.397 5.027 -0.171 233 HA PHE 30 HA PHE 30 -0.433 4.435 1.815 234 1HB PHE 30 HB2 PHE 30 -1.321 3.125 -0.732 235 2HB PHE 30 HB1 PHE 30 0.136 2.541 0.060 236 HD1 PHE 30 HD1 PHE 30 -0.223 2.374 2.799 237 HD2 PHE 30 HD2 PHE 30 -3.271 1.971 -0.157 238 HE1 PHE 30 HE1 PHE 30 -1.615 1.132 4.394 239 HE2 PHE 30 HE2 PHE 30 -4.636 0.705 1.440 240 HZ PHE 30 HZ PHE 30 -3.806 0.264 3.703 241 H LYS 31 HN LYS 31 -0.107 5.269 -1.620 242 HA LYS 31 HA LYS 31 2.686 5.089 -1.853 243 1HB LYS 31 HB2 LYS 31 1.131 5.591 -3.729 244 2HB LYS 31 HB1 LYS 31 0.920 7.217 -3.085 245 1HG LYS 31 HG2 LYS 31 2.812 7.886 -4.115 246 2HG LYS 31 HG1 LYS 31 3.732 6.669 -3.236 247 1HD LYS 31 HD2 LYS 31 3.100 4.974 -4.931 248 2HD LYS 31 HD1 LYS 31 2.195 6.198 -5.813 249 1HE LYS 31 HE2 LYS 31 4.762 7.301 -5.348 250 2HE LYS 31 HE1 LYS 31 5.033 5.646 -5.880 251 1HZ LYS 31 HZ3 LYS 31 3.086 7.287 -7.328 252 2HZ LYS 31 HZ2 LYS 31 4.741 7.565 -7.592 253 3HZ LYS 31 HZ1 LYS 31 4.078 6.031 -7.895 254 H GLN 32 HN GLN 32 0.721 7.655 -0.460 255 HA GLN 32 HA GLN 32 2.868 9.529 -0.076 256 1HB GLN 32 HB2 GLN 32 0.502 10.197 0.070 257 2HB GLN 32 HB1 GLN 32 0.294 9.180 1.491 258 1HG GLN 32 HG2 GLN 32 1.789 10.535 2.791 259 2HG GLN 32 HG1 GLN 32 2.362 11.394 1.363 260 1HE2 GLN 32 HE22 GLN 32 -0.533 13.120 3.324 261 2HE2 GLN 32 HE21 GLN 32 0.716 12.158 3.954 262 OH TYR 33 OH TYR 33 4.773 2.858 8.219 263 H TYR 33 HN TYR 33 1.719 6.761 1.700 264 HA TYR 33 HA TYR 33 3.279 7.327 4.093 265 1HB TYR 33 HB2 TYR 33 1.261 5.951 4.254 266 2HB TYR 33 HB1 TYR 33 1.948 4.781 3.132 267 HD1 TYR 33 HD1 TYR 33 4.025 3.515 3.805 268 HD2 TYR 33 HD2 TYR 33 1.870 5.918 6.573 269 HE1 TYR 33 HE1 TYR 33 5.144 2.377 5.661 270 HE2 TYR 33 HE2 TYR 33 2.989 4.778 8.433 271 HH TYR 33 HH TYR 33 4.901 3.496 8.924 272 H ALA 34 HN ALA 34 3.521 4.832 1.574 273 HA ALA 34 HA ALA 34 5.955 3.679 2.248 274 1HB ALA 34 HB1 ALA 34 4.296 3.582 0.048 275 2HB ALA 34 HB3 ALA 34 5.773 4.266 -0.624 276 3HB ALA 34 HB2 ALA 34 5.818 2.711 0.200 277 H ASN 35 HN ASN 35 5.375 6.849 0.958 278 HA ASN 35 HA ASN 35 8.036 7.426 0.059 279 1HB ASN 35 HB2 ASN 35 6.064 8.807 -0.537 280 2HB ASN 35 HB1 ASN 35 5.945 9.337 1.140 281 1HD2 ASN 35 HD22 ASN 35 8.515 11.726 0.840 282 2HD2 ASN 35 HD21 ASN 35 7.349 11.001 1.836 283 H ASP 36 HN ASP 36 6.392 8.040 3.144 284 HA ASP 36 HA ASP 36 8.663 9.261 4.417 285 1HB ASP 36 HB2 ASP 36 6.162 7.934 5.464 286 2HB ASP 36 HB1 ASP 36 7.393 8.576 6.550 287 H ASN 37 HN ASN 37 8.247 6.168 3.332 288 HA ASN 37 HA ASN 37 10.024 5.002 5.443 289 1HB ASN 37 HB2 ASN 37 8.095 3.714 3.503 290 2HB ASN 37 HB1 ASN 37 9.259 2.791 4.451 291 1HD2 ASN 37 HD22 ASN 37 6.381 4.845 6.569 292 2HD2 ASN 37 HD21 ASN 37 7.047 5.556 5.178 293 H GLY 38 HN GLY 38 9.649 5.629 2.033 294 1HA GLY 38 HA2 GLY 38 11.555 5.944 0.570 295 2HA GLY 38 HA1 GLY 38 12.513 4.935 1.649 296 H VAL 39 HN VAL 39 9.421 4.510 -0.068 297 HA VAL 39 HA VAL 39 10.590 2.168 -1.480 298 HB VAL 39 HB VAL 39 8.091 2.127 0.227 299 1HG1 VAL 39 HG11 VAL 39 9.015 0.383 -2.038 300 2HG1 VAL 39 HG13 VAL 39 8.185 -0.367 -0.678 301 3HG1 VAL 39 HG12 VAL 39 7.381 0.886 -1.619 302 1HG2 VAL 39 HG21 VAL 39 10.641 0.472 0.223 303 2HG2 VAL 39 HG23 VAL 39 10.223 1.709 1.405 304 3HG2 VAL 39 HG22 VAL 39 9.275 0.230 1.307 305 H ASP 40 HN ASP 40 10.339 2.755 -3.552 306 HA ASP 40 HA ASP 40 7.607 3.359 -4.507 307 1HB ASP 40 HB2 ASP 40 9.948 5.208 -5.044 308 2HB ASP 40 HB1 ASP 40 8.330 5.372 -5.724 309 H GLY 41 HN GLY 41 7.285 2.035 -6.171 310 1HA GLY 41 HA2 GLY 41 9.042 1.927 -8.446 311 2HA GLY 41 HA1 GLY 41 9.252 0.483 -7.460 312 H GLU 42 HN GLU 42 7.692 -1.085 -7.481 313 HA GLU 42 HA GLU 42 5.520 -0.721 -9.492 314 1HB GLU 42 HB2 GLU 42 6.532 -3.255 -8.200 315 2HB GLU 42 HB1 GLU 42 5.416 -3.151 -9.555 316 1HG GLU 42 HG2 GLU 42 7.179 -3.096 -10.968 317 2HG GLU 42 HG1 GLU 42 7.697 -1.582 -10.231 318 CH2 TRP 43 CH2 TRP 43 2.205 2.510 -2.266 319 H TRP 43 HN TRP 43 3.391 -0.967 -8.946 320 HA TRP 43 HA TRP 43 2.795 -1.438 -6.046 321 1HB TRP 43 HB2 TRP 43 1.771 0.630 -7.962 322 2HB TRP 43 HB1 TRP 43 0.803 0.146 -6.580 323 HD1 TRP 43 HD1 TRP 43 4.393 1.354 -7.364 324 HE1 TRP 43 HE1 TRP 43 5.133 2.731 -5.360 325 HE3 TRP 43 HE3 TRP 43 0.449 0.631 -4.422 326 HZ2 TRP 43 HZ2 TRP 43 4.116 3.377 -2.648 327 HZ3 TRP 43 HZ3 TRP 43 0.313 1.536 -2.156 328 HH2 TRP 43 HH2 TRP 43 2.145 2.900 -1.262 329 H THR 44 HN THR 44 1.259 -2.885 -5.592 330 HA THR 44 HA THR 44 -0.393 -3.943 -7.856 331 HB THR 44 HB THR 44 -0.227 -6.184 -6.542 332 HG1 THR 44 HG1 THR 44 2.088 -5.728 -5.490 333 1HG2 THR 44 HG23 THR 44 1.173 -5.537 -8.641 334 2HG2 THR 44 HG22 THR 44 2.449 -5.130 -7.497 335 3HG2 THR 44 HG21 THR 44 1.845 -6.780 -7.591 336 OH TYR 45 OH TYR 45 -8.871 -1.300 -3.050 337 H TYR 45 HN TYR 45 -2.443 -4.782 -7.301 338 HA TYR 45 HA TYR 45 -3.527 -3.890 -4.650 339 1HB TYR 45 HB2 TYR 45 -4.086 -2.432 -6.725 340 2HB TYR 45 HB1 TYR 45 -5.094 -3.785 -7.243 341 HD1 TYR 45 HD1 TYR 45 -6.568 -4.696 -4.913 342 HD2 TYR 45 HD2 TYR 45 -5.369 -0.730 -5.841 343 HE1 TYR 45 HE1 TYR 45 -8.321 -3.829 -3.458 344 HE2 TYR 45 HE2 TYR 45 -7.174 0.136 -4.439 345 HH TYR 45 HH TYR 45 -8.527 -1.215 -2.159 346 H ASP 46 HN ASP 46 -4.509 -5.507 -3.586 347 HA ASP 46 HA ASP 46 -5.206 -7.989 -5.099 348 1HB ASP 46 HB2 ASP 46 -3.564 -7.975 -3.088 349 2HB ASP 46 HB1 ASP 46 -5.012 -7.791 -2.103 350 H ASP 47 HN ASP 47 -7.183 -6.726 -5.756 351 HA ASP 47 HA ASP 47 -9.185 -5.992 -3.841 352 1HB ASP 47 HB2 ASP 47 -9.216 -5.181 -6.164 353 2HB ASP 47 HB1 ASP 47 -9.512 -6.819 -6.738 354 H ALA 48 HN ALA 48 -7.935 -8.939 -4.247 355 HA ALA 48 HA ALA 48 -10.454 -10.470 -4.211 356 1HB ALA 48 HB3 ALA 48 -7.723 -11.025 -4.851 357 2HB ALA 48 HB2 ALA 48 -8.219 -12.110 -3.558 358 3HB ALA 48 HB1 ALA 48 -9.125 -12.068 -5.066 359 H THR 49 HN THR 49 -8.305 -9.024 -1.977 360 HA THR 49 HA THR 49 -9.847 -10.206 0.259 361 HB THR 49 HB THR 49 -7.764 -10.853 1.492 362 HG1 THR 49 HG1 THR 49 -6.035 -10.843 -0.442 363 1HG2 THR 49 HG21 THR 49 -8.866 -12.487 -0.211 364 2HG2 THR 49 HG23 THR 49 -7.575 -12.004 -1.305 365 3HG2 THR 49 HG22 THR 49 -7.187 -12.800 0.216 366 H LYS 50 HN LYS 50 -9.120 -7.526 -1.132 367 HA LYS 50 HA LYS 50 -8.777 -5.306 -0.446 368 1HB LYS 50 HB2 LYS 50 -9.530 -6.268 2.313 369 2HB LYS 50 HB1 LYS 50 -9.801 -4.678 1.607 370 1HG LYS 50 HG2 LYS 50 -11.172 -6.030 -0.195 371 2HG LYS 50 HG1 LYS 50 -11.241 -7.261 1.061 372 1HD LYS 50 HD2 LYS 50 -12.166 -5.583 2.641 373 2HD LYS 50 HD1 LYS 50 -12.121 -4.369 1.367 374 1HE LYS 50 HE2 LYS 50 -13.602 -5.881 -0.016 375 2HE LYS 50 HE1 LYS 50 -13.758 -6.923 1.392 376 1HZ LYS 50 HZ3 LYS 50 -14.280 -4.306 2.200 377 2HZ LYS 50 HZ2 LYS 50 -15.179 -4.592 0.788 378 3HZ LYS 50 HZ1 LYS 50 -15.354 -5.618 2.130 379 H THR 51 HN THR 51 -6.456 -6.344 -0.741 380 HA THR 51 HA THR 51 -4.886 -5.458 1.639 381 HB THR 51 HB THR 51 -4.530 -8.110 0.159 382 HG1 THR 51 HG1 THR 51 -6.019 -8.300 1.730 383 1HG2 THR 51 HG22 THR 51 -2.438 -6.631 1.254 384 2HG2 THR 51 HG21 THR 51 -2.991 -7.581 2.621 385 3HG2 THR 51 HG23 THR 51 -2.473 -8.383 1.147 386 H PHE 52 HN PHE 52 -3.653 -3.802 0.858 387 HA PHE 52 HA PHE 52 -2.998 -3.639 -1.984 388 1HB PHE 52 HB2 PHE 52 -2.950 -1.872 0.309 389 2HB PHE 52 HB1 PHE 52 -1.452 -1.768 -0.605 390 HD1 PHE 52 HD1 PHE 52 -1.495 -1.096 -3.015 391 HD2 PHE 52 HD2 PHE 52 -5.042 -1.209 -0.698 392 HE1 PHE 52 HE1 PHE 52 -2.682 0.208 -4.739 393 HE2 PHE 52 HE2 PHE 52 -6.181 0.186 -2.333 394 HZ PHE 52 HZ PHE 52 -4.987 0.944 -4.336 395 H THR 53 HN THR 53 -0.687 -3.377 -2.675 396 HA THR 53 HA THR 53 1.365 -4.428 -0.877 397 HB THR 53 HB THR 53 0.489 -6.066 -3.285 398 HG1 THR 53 HG1 THR 53 0.690 -6.994 -0.673 399 1HG2 THR 53 HG22 THR 53 2.931 -6.035 -1.578 400 2HG2 THR 53 HG21 THR 53 2.167 -7.610 -1.772 401 3HG2 THR 53 HG23 THR 53 2.714 -6.716 -3.187 402 H VAL 54 HN VAL 54 3.311 -3.648 -1.433 403 HA VAL 54 HA VAL 54 3.711 -2.694 -4.237 404 HB VAL 54 HB VAL 54 3.068 -0.784 -2.721 405 1HG1 VAL 54 HG12 VAL 54 4.217 -1.849 -0.726 406 2HG1 VAL 54 HG11 VAL 54 5.744 -1.309 -1.413 407 3HG1 VAL 54 HG13 VAL 54 4.523 -0.132 -0.940 408 1HG2 VAL 54 HG23 VAL 54 5.863 -0.856 -3.895 409 2HG2 VAL 54 HG22 VAL 54 4.402 -0.229 -4.642 410 3HG2 VAL 54 HG21 VAL 54 5.123 0.614 -3.280 411 H THR 55 HN THR 55 5.885 -2.744 -4.907 412 HA THR 55 HA THR 55 7.872 -3.885 -3.018 413 HB THR 55 HB THR 55 7.193 -5.196 -5.687 414 HG1 THR 55 HG1 THR 55 5.903 -6.322 -4.443 415 1HG2 THR 55 HG21 THR 55 9.418 -5.456 -3.732 416 2HG2 THR 55 HG23 THR 55 8.619 -6.970 -4.152 417 3HG2 THR 55 HG22 THR 55 9.346 -5.979 -5.410 418 H GLU 56 HN GLU 56 9.572 -2.545 -3.192 419 HA GLU 56 HA GLU 56 10.010 -0.742 -5.355 420 1HB GLU 56 HB2 GLU 56 11.152 -1.189 -2.857 421 2HB GLU 56 HB1 GLU 56 12.466 -1.515 -3.978 422 1HG GLU 56 HG2 GLU 56 10.746 0.995 -3.992 423 2HG GLU 56 HG1 GLU 56 12.379 0.890 -3.341 Start of MODEL 57 Raw file had 423 H/Q atoms Entry Start of MODEL 57 1 1H MET 1 HT1 MET 1 -13.314 -1.248 5.011 2 2H MET 1 HT3 MET 1 -14.022 0.077 5.802 3 3H MET 1 HT2 MET 1 -14.853 -0.704 4.543 4 HA MET 1 HA MET 1 -13.364 0.084 2.917 5 1HB MET 1 HB2 MET 1 -13.549 2.504 4.667 6 2HB MET 1 HB1 MET 1 -13.888 2.343 2.947 7 1HG MET 1 HG2 MET 1 -16.026 2.495 3.810 8 2HG MET 1 HG1 MET 1 -15.805 0.769 3.715 9 1HE MET 1 HE1 MET 1 -18.143 2.047 5.168 10 2HE MET 1 HE3 MET 1 -17.929 2.521 6.853 11 3HE MET 1 HE2 MET 1 -17.220 3.497 5.568 12 H THR 2 HN THR 2 -11.576 -1.250 4.474 13 HA THR 2 HA THR 2 -9.290 0.647 4.481 14 HB THR 2 HB THR 2 -9.750 -1.278 6.787 15 HG1 THR 2 HG1 THR 2 -11.145 0.199 7.375 16 1HG2 THR 2 HG21 THR 2 -7.449 0.012 6.060 17 2HG2 THR 2 HG23 THR 2 -8.230 1.269 7.013 18 3HG2 THR 2 HG22 THR 2 -7.882 -0.297 7.737 19 OH TYR 3 OH TYR 3 -11.451 0.372 -1.080 20 H TYR 3 HN TYR 3 -7.746 -0.209 3.243 21 HA TYR 3 HA TYR 3 -7.713 -3.164 2.850 22 1HB TYR 3 HB2 TYR 3 -6.028 -1.195 1.323 23 2HB TYR 3 HB1 TYR 3 -6.557 -2.793 0.828 24 HD1 TYR 3 HD1 TYR 3 -7.845 0.617 1.644 25 HD2 TYR 3 HD2 TYR 3 -8.579 -3.051 -0.367 26 HE1 TYR 3 HE1 TYR 3 -9.836 1.588 0.596 27 HE2 TYR 3 HE2 TYR 3 -10.565 -2.078 -1.424 28 HH TYR 3 HH TYR 3 -11.382 0.230 -2.027 29 H LYS 4 HN LYS 4 -5.485 -4.136 2.647 30 HA LYS 4 HA LYS 4 -3.762 -3.074 4.848 31 1HB LYS 4 HB2 LYS 4 -4.900 -5.391 5.017 32 2HB LYS 4 HB1 LYS 4 -3.764 -5.902 3.788 33 1HG LYS 4 HG2 LYS 4 -2.108 -6.117 5.309 34 2HG LYS 4 HG1 LYS 4 -2.350 -4.480 5.893 35 1HD LYS 4 HD2 LYS 4 -2.750 -6.051 7.722 36 2HD LYS 4 HD1 LYS 4 -4.276 -5.298 7.270 37 1HE LYS 4 HE2 LYS 4 -3.892 -7.608 5.614 38 2HE LYS 4 HE1 LYS 4 -3.626 -8.083 7.285 39 1HZ LYS 4 HZ3 LYS 4 -5.852 -6.411 7.222 40 2HZ LYS 4 HZ2 LYS 4 -6.049 -7.559 5.985 41 3HZ LYS 4 HZ1 LYS 4 -5.794 -8.069 7.584 42 H LEU 5 HN LEU 5 -1.858 -2.243 4.188 43 HA LEU 5 HA LEU 5 -0.918 -2.837 1.465 44 1HB LEU 5 HB2 LEU 5 -0.753 -0.532 2.164 45 2HB LEU 5 HB1 LEU 5 0.065 -0.970 3.653 46 HG LEU 5 HG LEU 5 2.023 -1.795 2.251 47 1HD1 LEU 5 HD13 LEU 5 0.393 -0.507 0.040 48 2HD1 LEU 5 HD12 LEU 5 2.086 -0.959 -0.111 49 3HD1 LEU 5 HD11 LEU 5 0.866 -2.200 0.131 50 1HD2 LEU 5 HD23 LEU 5 1.834 0.521 3.265 51 2HD2 LEU 5 HD22 LEU 5 2.900 0.405 1.868 52 3HD2 LEU 5 HD21 LEU 5 1.285 1.081 1.690 53 H ILE 6 HN ILE 6 1.117 -3.747 1.001 54 HA ILE 6 HA ILE 6 2.503 -5.121 3.223 55 HB ILE 6 HB ILE 6 2.028 -6.311 0.481 56 1HG1 ILE 6 HG12 ILE 6 0.622 -6.698 3.137 57 2HG1 ILE 6 HG11 ILE 6 -0.100 -6.277 1.591 58 1HG2 ILE 6 HG21 ILE 6 4.102 -6.974 1.877 59 2HG2 ILE 6 HG23 ILE 6 2.965 -7.692 3.010 60 3HG2 ILE 6 HG22 ILE 6 3.056 -8.285 1.354 61 1HD1 ILE 6 HD2 ILE 6 0.810 -8.542 0.745 62 2HD1 ILE 6 HD1 ILE 6 1.067 -8.935 2.442 63 3HD1 ILE 6 HD3 ILE 6 -0.553 -8.599 1.855 64 H LEU 7 HN LEU 7 4.330 -3.962 3.351 65 HA LEU 7 HA LEU 7 5.582 -2.816 0.982 66 1HB LEU 7 HB2 LEU 7 6.290 -2.897 3.903 67 2HB LEU 7 HB1 LEU 7 7.410 -2.251 2.712 68 HG LEU 7 HG LEU 7 4.619 -1.272 2.484 69 1HD1 LEU 7 HD12 LEU 7 6.424 -0.485 4.800 70 2HD1 LEU 7 HD11 LEU 7 4.930 0.335 4.358 71 3HD1 LEU 7 HD13 LEU 7 4.884 -1.327 4.938 72 1HD2 LEU 7 HD23 LEU 7 6.540 -0.463 1.103 73 2HD2 LEU 7 HD22 LEU 7 5.804 0.832 2.042 74 3HD2 LEU 7 HD21 LEU 7 7.322 0.114 2.571 75 H ASN 8 HN ASN 8 6.764 -3.996 -0.384 76 HA ASN 8 HA ASN 8 8.307 -6.303 0.721 77 1HB ASN 8 HB2 ASN 8 6.701 -5.892 -1.668 78 2HB ASN 8 HB1 ASN 8 8.307 -6.453 -2.080 79 1HD2 ASN 8 HD22 ASN 8 5.742 -9.136 -0.911 80 2HD2 ASN 8 HD21 ASN 8 5.398 -7.677 -1.694 81 H GLY 9 HN GLY 9 9.221 -3.648 1.012 82 1HA GLY 9 HA2 GLY 9 11.027 -2.830 -1.036 83 2HA GLY 9 HA1 GLY 9 11.159 -2.358 0.651 84 H LYS 10 HN LYS 10 13.135 -3.295 -1.451 85 HA LYS 10 HA LYS 10 14.130 -5.876 -0.819 86 1HB LYS 10 HB2 LYS 10 15.275 -3.396 -2.001 87 2HB LYS 10 HB1 LYS 10 16.415 -4.607 -1.428 88 1HG LYS 10 HG2 LYS 10 15.562 -6.269 -2.890 89 2HG LYS 10 HG1 LYS 10 14.073 -5.376 -3.174 90 1HD LYS 10 HD2 LYS 10 15.565 -5.174 -5.124 91 2HD LYS 10 HD1 LYS 10 15.366 -3.608 -4.347 92 1HE LYS 10 HE2 LYS 10 17.768 -4.261 -4.966 93 2HE LYS 10 HE1 LYS 10 17.515 -3.741 -3.306 94 1HZ LYS 10 HZ3 LYS 10 17.141 -6.565 -3.720 95 2HZ LYS 10 HZ2 LYS 10 18.719 -6.027 -4.043 96 3HZ LYS 10 HZ1 LYS 10 18.021 -5.747 -2.521 97 H THR 11 HN THR 11 15.190 -2.731 0.461 98 HA THR 11 HA THR 11 16.583 -4.134 2.665 99 HB THR 11 HB THR 11 17.139 -1.547 3.161 100 HG1 THR 11 HG1 THR 11 16.944 -0.423 1.219 101 1HG2 THR 11 HG21 THR 11 18.228 -3.407 1.058 102 2HG2 THR 11 HG23 THR 11 18.810 -1.745 1.101 103 3HG2 THR 11 HG22 THR 11 19.030 -2.792 2.500 104 H LEU 12 HN LEU 12 13.520 -3.195 2.110 105 HA LEU 12 HA LEU 12 13.005 -2.867 5.015 106 1HB LEU 12 HB2 LEU 12 13.236 -0.574 3.923 107 2HB LEU 12 HB1 LEU 12 11.794 -0.968 3.000 108 HG LEU 12 HG LEU 12 10.587 -1.402 5.172 109 1HD1 LEU 12 HD13 LEU 12 13.299 -0.873 6.202 110 2HD1 LEU 12 HD12 LEU 12 12.052 0.069 7.008 111 3HD1 LEU 12 HD11 LEU 12 11.946 -1.686 6.978 112 1HD2 LEU 12 HD22 LEU 12 10.408 0.762 3.971 113 2HD2 LEU 12 HD21 LEU 12 10.319 0.991 5.714 114 3HD2 LEU 12 HD23 LEU 12 11.810 1.360 4.853 115 H LYS 13 HN LYS 13 11.133 -3.832 5.657 116 HA LYS 13 HA LYS 13 9.065 -4.455 3.633 117 1HB LYS 13 HB2 LYS 13 10.348 -6.609 5.335 118 2HB LYS 13 HB1 LYS 13 9.019 -6.837 4.208 119 1HG LYS 13 HG2 LYS 13 10.556 -5.933 2.389 120 2HG LYS 13 HG1 LYS 13 11.870 -6.036 3.555 121 1HD LYS 13 HD2 LYS 13 10.548 -8.521 3.714 122 2HD LYS 13 HD1 LYS 13 10.642 -8.158 1.994 123 1HE LYS 13 HE2 LYS 13 12.955 -8.166 3.960 124 2HE LYS 13 HE1 LYS 13 12.670 -9.342 2.683 125 1HZ LYS 13 HZ1 LYS 13 12.672 -6.704 1.646 126 2HZ LYS 13 HZ3 LYS 13 14.110 -7.010 2.497 127 3HZ LYS 13 HZ2 LYS 13 13.645 -8.029 1.220 128 H GLY 14 HN GLY 14 7.033 -4.440 4.496 129 1HA GLY 14 HA2 GLY 14 6.491 -5.005 7.281 130 2HA GLY 14 HA1 GLY 14 6.492 -3.270 6.980 131 H GLU 15 HN GLU 15 4.247 -3.190 7.486 132 HA GLU 15 HA GLU 15 2.507 -3.397 5.227 133 1HB GLU 15 HB2 GLU 15 0.980 -5.175 6.333 134 2HB GLU 15 HB1 GLU 15 2.418 -5.740 5.489 135 1HG GLU 15 HG2 GLU 15 3.462 -6.385 7.432 136 2HG GLU 15 HG1 GLU 15 2.801 -5.036 8.353 137 H THR 16 HN THR 16 0.818 -2.047 5.552 138 HA THR 16 HA THR 16 -0.126 -1.545 8.318 139 HB THR 16 HB THR 16 1.478 0.227 8.194 140 HG1 THR 16 HG1 THR 16 -0.544 1.676 7.041 141 1HG2 THR 16 HG21 THR 16 0.457 0.596 5.354 142 2HG2 THR 16 HG23 THR 16 1.477 1.771 6.175 143 3HG2 THR 16 HG22 THR 16 2.094 0.159 5.825 144 H THR 17 HN THR 17 -2.238 -0.735 8.426 145 HA THR 17 HA THR 17 -3.760 -0.975 5.873 146 HB THR 17 HB THR 17 -5.636 -1.643 7.184 147 HG1 THR 17 HG1 THR 17 -5.904 -0.290 8.798 148 1HG2 THR 17 HG21 THR 17 -3.428 -3.111 7.538 149 2HG2 THR 17 HG23 THR 17 -3.519 -2.443 9.166 150 3HG2 THR 17 HG22 THR 17 -4.853 -3.402 8.532 151 H THR 18 HN THR 18 -5.082 0.636 5.138 152 HA THR 18 HA THR 18 -5.165 3.174 6.717 153 HB THR 18 HB THR 18 -3.465 3.113 4.700 154 HG1 THR 18 HG1 THR 18 -4.964 5.247 4.226 155 1HG2 THR 18 HG23 THR 18 -5.510 2.254 3.198 156 2HG2 THR 18 HG22 THR 18 -5.920 3.965 3.184 157 3HG2 THR 18 HG21 THR 18 -4.368 3.426 2.552 158 H GLU 19 HN GLU 19 -7.037 4.387 6.502 159 HA GLU 19 HA GLU 19 -9.377 2.883 5.545 160 1HB GLU 19 HB2 GLU 19 -9.159 4.364 7.698 161 2HB GLU 19 HB1 GLU 19 -9.501 5.692 6.596 162 1HG GLU 19 HG2 GLU 19 -11.432 3.996 5.796 163 2HG GLU 19 HG1 GLU 19 -11.266 3.444 7.461 164 H ALA 20 HN ALA 20 -10.101 3.054 3.530 165 HA ALA 20 HA ALA 20 -9.947 5.694 2.161 166 1HB ALA 20 HB1 ALA 20 -8.472 3.280 1.448 167 2HB ALA 20 HB3 ALA 20 -9.479 3.857 0.122 168 3HB ALA 20 HB2 ALA 20 -8.280 4.922 0.847 169 H VAL 21 HN VAL 21 -11.755 6.174 1.023 170 HA VAL 21 HA VAL 21 -14.021 4.337 1.222 171 HB VAL 21 HB VAL 21 -14.576 6.623 1.515 172 1HG1 VAL 21 HG13 VAL 21 -12.671 6.969 -0.754 173 2HG1 VAL 21 HG12 VAL 21 -14.004 8.116 -0.661 174 3HG1 VAL 21 HG11 VAL 21 -12.884 7.956 0.689 175 1HG2 VAL 21 HG22 VAL 21 -15.975 5.194 -0.174 176 2HG2 VAL 21 HG21 VAL 21 -16.261 6.930 -0.106 177 3HG2 VAL 21 HG23 VAL 21 -15.274 6.251 -1.395 178 H ASP 22 HN ASP 22 -11.622 5.070 -1.128 179 HA ASP 22 HA ASP 22 -12.952 3.195 -3.012 180 1HB ASP 22 HB2 ASP 22 -12.196 4.836 -4.885 181 2HB ASP 22 HB1 ASP 22 -13.669 5.205 -3.992 182 H ALA 23 HN ALA 23 -11.399 2.730 -4.904 183 HA ALA 23 HA ALA 23 -8.870 1.873 -3.734 184 1HB ALA 23 HB2 ALA 23 -10.200 1.561 -6.408 185 2HB ALA 23 HB1 ALA 23 -8.495 1.161 -6.230 186 3HB ALA 23 HB3 ALA 23 -9.703 0.317 -5.266 187 H ALA 24 HN ALA 24 -9.879 4.259 -6.140 188 HA ALA 24 HA ALA 24 -7.350 5.060 -7.086 189 1HB ALA 24 HB1 ALA 24 -9.781 5.866 -7.701 190 2HB ALA 24 HB3 ALA 24 -9.442 7.131 -6.524 191 3HB ALA 24 HB2 ALA 24 -8.412 6.948 -7.940 192 H THR 25 HN THR 25 -9.172 6.456 -4.359 193 HA THR 25 HA THR 25 -7.025 8.176 -3.540 194 HB THR 25 HB THR 25 -9.507 8.380 -2.847 195 HG1 THR 25 HG1 THR 25 -8.421 9.701 -1.602 196 1HG2 THR 25 HG22 THR 25 -9.205 5.857 -1.831 197 2HG2 THR 25 HG21 THR 25 -8.773 6.819 -0.425 198 3HG2 THR 25 HG23 THR 25 -10.351 7.019 -1.176 199 H ALA 26 HN ALA 26 -7.746 4.826 -2.964 200 HA ALA 26 HA ALA 26 -6.040 4.497 -0.655 201 1HB ALA 26 HB2 ALA 26 -7.814 2.870 -1.314 202 2HB ALA 26 HB1 ALA 26 -6.840 2.424 -2.709 203 3HB ALA 26 HB3 ALA 26 -6.244 2.106 -1.084 204 H GLU 27 HN GLU 27 -5.534 4.434 -4.110 205 HA GLU 27 HA GLU 27 -2.928 3.247 -4.095 206 1HB GLU 27 HB2 GLU 27 -4.355 5.056 -6.046 207 2HB GLU 27 HB1 GLU 27 -2.745 4.421 -6.353 208 1HG GLU 27 HG2 GLU 27 -3.649 2.101 -6.005 209 2HG GLU 27 HG1 GLU 27 -5.260 2.796 -5.863 210 H LYS 28 HN LYS 28 -3.939 6.669 -4.284 211 HA LYS 28 HA LYS 28 -1.189 7.594 -4.073 212 1HB LYS 28 HB2 LYS 28 -2.240 9.858 -3.820 213 2HB LYS 28 HB1 LYS 28 -2.752 8.990 -5.259 214 1HG LYS 28 HG2 LYS 28 -4.895 8.632 -4.450 215 2HG LYS 28 HG1 LYS 28 -4.379 8.637 -2.769 216 1HD LYS 28 HD2 LYS 28 -4.225 11.000 -2.694 217 2HD LYS 28 HD1 LYS 28 -4.190 11.140 -4.446 218 1HE LYS 28 HE2 LYS 28 -6.552 10.264 -4.499 219 2HE LYS 28 HE1 LYS 28 -6.562 10.323 -2.741 220 1HZ LYS 28 HZ1 LYS 28 -5.711 12.750 -4.070 221 2HZ LYS 28 HZ3 LYS 28 -7.341 12.328 -4.296 222 3HZ LYS 28 HZ2 LYS 28 -6.729 12.541 -2.727 223 H VAL 29 HN VAL 29 -3.713 6.858 -1.804 224 HA VAL 29 HA VAL 29 -2.704 8.392 0.409 225 HB VAL 29 HB VAL 29 -4.431 5.937 0.206 226 1HG1 VAL 29 HG12 VAL 29 -3.233 7.242 2.647 227 2HG1 VAL 29 HG11 VAL 29 -4.794 6.434 2.738 228 3HG1 VAL 29 HG13 VAL 29 -3.359 5.526 2.274 229 1HG2 VAL 29 HG23 VAL 29 -5.042 8.520 -0.209 230 2HG2 VAL 29 HG22 VAL 29 -6.179 7.413 0.556 231 3HG2 VAL 29 HG21 VAL 29 -5.201 8.493 1.544 232 H PHE 30 HN PHE 30 -2.480 4.870 -0.117 233 HA PHE 30 HA PHE 30 -0.491 4.405 1.843 234 1HB PHE 30 HB2 PHE 30 -1.317 2.975 -0.663 235 2HB PHE 30 HB1 PHE 30 0.134 2.449 0.178 236 HD1 PHE 30 HD1 PHE 30 -0.258 2.361 2.904 237 HD2 PHE 30 HD2 PHE 30 -3.270 1.845 -0.068 238 HE1 PHE 30 HE1 PHE 30 -1.658 1.146 4.519 239 HE2 PHE 30 HE2 PHE 30 -4.642 0.624 1.549 240 HZ PHE 30 HZ PHE 30 -3.830 0.225 3.829 241 H LYS 31 HN LYS 31 -0.227 5.437 -1.503 242 HA LYS 31 HA LYS 31 2.576 5.156 -1.830 243 1HB LYS 31 HB2 LYS 31 0.930 5.750 -3.635 244 2HB LYS 31 HB1 LYS 31 0.859 7.376 -2.961 245 1HG LYS 31 HG2 LYS 31 3.607 6.779 -3.191 246 2HG LYS 31 HG1 LYS 31 2.877 6.208 -4.687 247 1HD LYS 31 HD2 LYS 31 1.796 8.404 -5.009 248 2HD LYS 31 HD1 LYS 31 2.489 8.977 -3.497 249 1HE LYS 31 HE2 LYS 31 4.367 7.818 -5.511 250 2HE LYS 31 HE1 LYS 31 3.694 9.404 -5.860 251 1HZ LYS 31 HZ2 LYS 31 4.607 9.125 -3.155 252 2HZ LYS 31 HZ1 LYS 31 5.844 8.923 -4.301 253 3HZ LYS 31 HZ3 LYS 31 4.922 10.350 -4.288 254 H GLN 32 HN GLN 32 0.666 7.778 -0.429 255 HA GLN 32 HA GLN 32 2.813 9.605 -0.005 256 1HB GLN 32 HB2 GLN 32 0.502 10.319 0.268 257 2HB GLN 32 HB1 GLN 32 0.267 9.172 1.582 258 1HG GLN 32 HG2 GLN 32 1.785 10.362 3.015 259 2HG GLN 32 HG1 GLN 32 2.375 11.348 1.680 260 1HE2 GLN 32 HE22 GLN 32 -0.989 13.012 1.542 261 2HE2 GLN 32 HE21 GLN 32 -0.111 12.037 0.465 262 OH TYR 33 OH TYR 33 4.994 2.809 8.126 263 H TYR 33 HN TYR 33 1.737 6.780 1.734 264 HA TYR 33 HA TYR 33 3.384 7.267 4.081 265 1HB TYR 33 HB2 TYR 33 1.375 5.849 4.216 266 2HB TYR 33 HB1 TYR 33 2.095 4.716 3.079 267 HD1 TYR 33 HD1 TYR 33 4.209 3.503 3.724 268 HD2 TYR 33 HD2 TYR 33 1.997 5.804 6.533 269 HE1 TYR 33 HE1 TYR 33 5.369 2.373 5.560 270 HE2 TYR 33 HE2 TYR 33 3.156 4.671 8.373 271 HH TYR 33 HH TYR 33 4.334 2.517 8.759 272 H ALA 34 HN ALA 34 3.576 4.794 1.532 273 HA ALA 34 HA ALA 34 6.076 3.725 2.097 274 1HB ALA 34 HB1 ALA 34 4.311 3.564 -0.027 275 2HB ALA 34 HB3 ALA 34 5.754 4.248 -0.769 276 3HB ALA 34 HB2 ALA 34 5.847 2.711 0.085 277 H ASN 35 HN ASN 35 5.340 6.880 0.887 278 HA ASN 35 HA ASN 35 8.010 7.471 -0.098 279 1HB ASN 35 HB2 ASN 35 5.869 8.663 -0.782 280 2HB ASN 35 HB1 ASN 35 5.918 9.470 0.783 281 1HD2 ASN 35 HD22 ASN 35 7.733 11.862 -1.223 282 2HD2 ASN 35 HD21 ASN 35 6.156 11.438 -0.758 283 H ASP 36 HN ASP 36 6.214 8.279 2.855 284 HA ASP 36 HA ASP 36 8.313 9.754 4.111 285 1HB ASP 36 HB2 ASP 36 6.006 8.169 5.264 286 2HB ASP 36 HB1 ASP 36 7.081 9.163 6.245 287 H ASN 37 HN ASN 37 8.177 6.528 3.275 288 HA ASN 37 HA ASN 37 10.057 5.717 5.453 289 1HB ASN 37 HB2 ASN 37 8.278 4.128 3.603 290 2HB ASN 37 HB1 ASN 37 9.548 3.376 4.564 291 1HD2 ASN 37 HD22 ASN 37 6.478 5.187 6.633 292 2HD2 ASN 37 HD21 ASN 37 7.024 5.887 5.186 293 H GLY 38 HN GLY 38 9.542 5.307 1.965 294 1HA GLY 38 HA2 GLY 38 11.529 6.030 0.537 295 2HA GLY 38 HA1 GLY 38 12.512 5.072 1.637 296 H VAL 39 HN VAL 39 9.417 4.496 -0.027 297 HA VAL 39 HA VAL 39 10.664 2.192 -1.435 298 HB VAL 39 HB VAL 39 8.076 1.961 0.124 299 1HG1 VAL 39 HG13 VAL 39 9.808 -0.086 -1.309 300 2HG1 VAL 39 HG12 VAL 39 8.342 -0.444 -0.402 301 3HG1 VAL 39 HG11 VAL 39 8.253 0.512 -1.878 302 1HG2 VAL 39 HG22 VAL 39 10.906 1.060 0.745 303 2HG2 VAL 39 HG21 VAL 39 9.884 2.113 1.719 304 3HG2 VAL 39 HG23 VAL 39 9.489 0.404 1.560 305 H ASP 40 HN ASP 40 10.384 2.987 -3.466 306 HA ASP 40 HA ASP 40 7.577 3.328 -4.375 307 1HB ASP 40 HB2 ASP 40 9.749 5.309 -5.092 308 2HB ASP 40 HB1 ASP 40 8.036 5.412 -5.495 309 H GLY 41 HN GLY 41 7.228 2.317 -6.254 310 1HA GLY 41 HA2 GLY 41 9.004 2.217 -8.465 311 2HA GLY 41 HA1 GLY 41 9.256 0.752 -7.518 312 H GLU 42 HN GLU 42 7.658 -0.813 -7.462 313 HA GLU 42 HA GLU 42 5.502 -0.486 -9.505 314 1HB GLU 42 HB2 GLU 42 6.307 -3.083 -8.243 315 2HB GLU 42 HB1 GLU 42 5.562 -2.813 -9.812 316 1HG GLU 42 HG2 GLU 42 7.679 -1.620 -10.519 317 2HG GLU 42 HG1 GLU 42 8.410 -2.139 -9.002 318 CH2 TRP 43 CH2 TRP 43 2.165 2.601 -2.174 319 H TRP 43 HN TRP 43 3.390 -0.664 -8.934 320 HA TRP 43 HA TRP 43 2.805 -1.242 -6.049 321 1HB TRP 43 HB2 TRP 43 1.759 0.863 -7.915 322 2HB TRP 43 HB1 TRP 43 0.792 0.337 -6.547 323 HD1 TRP 43 HD1 TRP 43 4.372 1.597 -7.295 324 HE1 TRP 43 HE1 TRP 43 5.103 2.920 -5.252 325 HE3 TRP 43 HE3 TRP 43 0.425 0.772 -4.385 326 HZ2 TRP 43 HZ2 TRP 43 4.074 3.487 -2.525 327 HZ3 TRP 43 HZ3 TRP 43 0.277 1.614 -2.097 328 HH2 TRP 43 HH2 TRP 43 2.097 2.968 -1.160 329 H THR 44 HN THR 44 1.270 -2.711 -5.622 330 HA THR 44 HA THR 44 -0.359 -3.744 -7.921 331 HB THR 44 HB THR 44 -0.230 -5.995 -6.682 332 HG1 THR 44 HG1 THR 44 1.895 -5.676 -5.345 333 1HG2 THR 44 HG23 THR 44 1.692 -4.768 -8.377 334 2HG2 THR 44 HG22 THR 44 2.605 -5.473 -7.047 335 3HG2 THR 44 HG21 THR 44 1.551 -6.488 -8.026 336 OH TYR 45 OH TYR 45 -8.929 -1.371 -3.167 337 H TYR 45 HN TYR 45 -2.347 -4.868 -7.243 338 HA TYR 45 HA TYR 45 -3.510 -3.856 -4.686 339 1HB TYR 45 HB2 TYR 45 -4.072 -2.422 -6.772 340 2HB TYR 45 HB1 TYR 45 -5.045 -3.797 -7.299 341 HD1 TYR 45 HD1 TYR 45 -6.542 -4.731 -4.996 342 HD2 TYR 45 HD2 TYR 45 -5.399 -0.743 -5.912 343 HE1 TYR 45 HE1 TYR 45 -8.326 -3.893 -3.565 344 HE2 TYR 45 HE2 TYR 45 -7.235 0.093 -4.532 345 HH TYR 45 HH TYR 45 -8.768 -0.440 -2.994 346 H ASP 46 HN ASP 46 -4.489 -5.478 -3.616 347 HA ASP 46 HA ASP 46 -5.140 -7.978 -5.129 348 1HB ASP 46 HB2 ASP 46 -3.473 -7.943 -3.136 349 2HB ASP 46 HB1 ASP 46 -4.914 -7.800 -2.135 350 H ASP 47 HN ASP 47 -7.183 -6.989 -5.798 351 HA ASP 47 HA ASP 47 -9.169 -6.184 -3.868 352 1HB ASP 47 HB2 ASP 47 -9.192 -5.548 -6.293 353 2HB ASP 47 HB1 ASP 47 -9.620 -7.212 -6.683 354 H ALA 48 HN ALA 48 -7.806 -9.094 -4.187 355 HA ALA 48 HA ALA 48 -10.197 -10.784 -4.137 356 1HB ALA 48 HB2 ALA 48 -7.857 -11.440 -4.991 357 2HB ALA 48 HB1 ALA 48 -7.427 -11.625 -3.294 358 3HB ALA 48 HB3 ALA 48 -8.703 -12.617 -3.991 359 H THR 49 HN THR 49 -8.109 -9.236 -1.816 360 HA THR 49 HA THR 49 -9.946 -10.121 0.339 361 HB THR 49 HB THR 49 -7.713 -10.490 1.747 362 HG1 THR 49 HG1 THR 49 -6.737 -11.468 -0.627 363 1HG2 THR 49 HG23 THR 49 -8.566 -12.466 -0.406 364 2HG2 THR 49 HG22 THR 49 -7.644 -12.861 1.040 365 3HG2 THR 49 HG21 THR 49 -9.320 -12.339 1.180 366 H LYS 50 HN LYS 50 -9.096 -7.601 -1.148 367 HA LYS 50 HA LYS 50 -8.716 -5.353 -0.621 368 1HB LYS 50 HB2 LYS 50 -9.785 -6.327 2.041 369 2HB LYS 50 HB1 LYS 50 -9.561 -4.632 1.625 370 1HG LYS 50 HG2 LYS 50 -11.303 -4.633 0.101 371 2HG LYS 50 HG1 LYS 50 -11.097 -6.334 -0.296 372 1HD LYS 50 HD2 LYS 50 -11.966 -5.600 2.483 373 2HD LYS 50 HD1 LYS 50 -13.152 -5.541 1.185 374 1HE LYS 50 HE2 LYS 50 -13.043 -7.831 0.793 375 2HE LYS 50 HE1 LYS 50 -11.394 -7.959 1.393 376 1HZ LYS 50 HZ2 LYS 50 -13.510 -7.194 3.267 377 2HZ LYS 50 HZ1 LYS 50 -13.398 -8.820 2.789 378 3HZ LYS 50 HZ3 LYS 50 -12.077 -8.065 3.545 379 H THR 51 HN THR 51 -6.429 -6.320 -0.833 380 HA THR 51 HA THR 51 -4.884 -5.416 1.556 381 HB THR 51 HB THR 51 -4.662 -8.114 0.159 382 HG1 THR 51 HG1 THR 51 -5.953 -7.407 2.131 383 1HG2 THR 51 HG21 THR 51 -2.492 -6.519 1.320 384 2HG2 THR 51 HG23 THR 51 -2.777 -7.985 2.237 385 3HG2 THR 51 HG22 THR 51 -2.401 -8.076 0.520 386 H PHE 52 HN PHE 52 -3.658 -3.749 0.774 387 HA PHE 52 HA PHE 52 -2.979 -3.587 -2.063 388 1HB PHE 52 HB2 PHE 52 -2.979 -1.816 0.230 389 2HB PHE 52 HB1 PHE 52 -1.480 -1.683 -0.679 390 HD1 PHE 52 HD1 PHE 52 -1.529 -0.999 -3.085 391 HD2 PHE 52 HD2 PHE 52 -5.089 -1.196 -0.786 392 HE1 PHE 52 HE1 PHE 52 -2.738 0.275 -4.815 393 HE2 PHE 52 HE2 PHE 52 -6.247 0.181 -2.427 394 HZ PHE 52 HZ PHE 52 -5.062 0.960 -4.425 395 H THR 53 HN THR 53 -0.664 -3.280 -2.729 396 HA THR 53 HA THR 53 1.387 -4.290 -0.907 397 HB THR 53 HB THR 53 0.441 -5.979 -3.248 398 HG1 THR 53 HG1 THR 53 -0.445 -6.939 -1.585 399 1HG2 THR 53 HG21 THR 53 3.019 -5.951 -1.671 400 2HG2 THR 53 HG23 THR 53 2.339 -7.489 -2.195 401 3HG2 THR 53 HG22 THR 53 2.793 -6.275 -3.387 402 H VAL 54 HN VAL 54 3.364 -3.568 -1.478 403 HA VAL 54 HA VAL 54 3.754 -2.574 -4.268 404 HB VAL 54 HB VAL 54 3.152 -0.687 -2.661 405 1HG1 VAL 54 HG12 VAL 54 4.490 -1.799 -0.779 406 2HG1 VAL 54 HG11 VAL 54 5.929 -1.164 -1.567 407 3HG1 VAL 54 HG13 VAL 54 4.694 -0.064 -0.961 408 1HG2 VAL 54 HG21 VAL 54 5.858 -0.749 -4.023 409 2HG2 VAL 54 HG23 VAL 54 4.350 -0.133 -4.674 410 3HG2 VAL 54 HG22 VAL 54 5.149 0.718 -3.363 411 H THR 55 HN THR 55 5.928 -2.634 -4.956 412 HA THR 55 HA THR 55 7.894 -3.850 -3.075 413 HB THR 55 HB THR 55 7.249 -5.037 -5.810 414 HG1 THR 55 HG1 THR 55 5.984 -6.284 -4.641 415 1HG2 THR 55 HG23 THR 55 9.431 -5.408 -3.823 416 2HG2 THR 55 HG22 THR 55 8.632 -6.891 -4.338 417 3HG2 THR 55 HG21 THR 55 9.395 -5.843 -5.525 418 H GLU 56 HN GLU 56 9.757 -2.751 -3.225 419 HA GLU 56 HA GLU 56 10.207 -0.746 -5.233 420 1HB GLU 56 HB2 GLU 56 11.331 -1.360 -2.788 421 2HB GLU 56 HB1 GLU 56 12.626 -1.754 -3.907 422 1HG GLU 56 HG2 GLU 56 12.142 0.536 -4.999 423 2HG GLU 56 HG1 GLU 56 11.196 0.892 -3.555 Start of MODEL 58 Raw file had 423 H/Q atoms Entry Start of MODEL 58 1 1H MET 1 HT3 MET 1 -13.146 -0.364 6.135 2 2H MET 1 HT2 MET 1 -14.318 0.857 5.994 3 3H MET 1 HT1 MET 1 -14.584 -0.663 5.284 4 HA MET 1 HA MET 1 -13.341 -0.221 3.490 5 1HB MET 1 HB2 MET 1 -13.503 2.652 4.401 6 2HB MET 1 HB1 MET 1 -13.575 2.026 2.757 7 1HG MET 1 HG2 MET 1 -15.630 1.625 4.938 8 2HG MET 1 HG1 MET 1 -15.806 2.648 3.538 9 1HE MET 1 HE1 MET 1 -15.754 1.944 1.247 10 2HE MET 1 HE3 MET 1 -14.666 0.559 1.148 11 3HE MET 1 HE2 MET 1 -16.339 0.406 0.612 12 H THR 2 HN THR 2 -11.452 -1.201 4.768 13 HA THR 2 HA THR 2 -9.188 0.713 4.565 14 HB THR 2 HB THR 2 -9.602 -1.082 6.993 15 HG1 THR 2 HG1 THR 2 -10.308 1.486 6.233 16 1HG2 THR 2 HG22 THR 2 -7.237 -0.008 5.996 17 2HG2 THR 2 HG21 THR 2 -7.803 1.248 7.093 18 3HG2 THR 2 HG23 THR 2 -7.529 -0.385 7.690 19 OH TYR 3 OH TYR 3 -11.533 0.224 -0.964 20 H TYR 3 HN TYR 3 -7.661 -0.180 3.323 21 HA TYR 3 HA TYR 3 -7.696 -3.134 2.953 22 1HB TYR 3 HB2 TYR 3 -6.042 -1.173 1.379 23 2HB TYR 3 HB1 TYR 3 -6.530 -2.790 0.913 24 HD1 TYR 3 HD1 TYR 3 -7.900 0.592 1.709 25 HD2 TYR 3 HD2 TYR 3 -8.559 -3.116 -0.263 26 HE1 TYR 3 HE1 TYR 3 -9.930 1.500 0.678 27 HE2 TYR 3 HE2 TYR 3 -10.590 -2.208 -1.293 28 HH TYR 3 HH TYR 3 -12.253 -0.393 -0.807 29 H LYS 4 HN LYS 4 -5.595 -4.234 2.803 30 HA LYS 4 HA LYS 4 -3.758 -3.237 4.939 31 1HB LYS 4 HB2 LYS 4 -4.993 -5.589 4.879 32 2HB LYS 4 HB1 LYS 4 -3.672 -6.016 3.808 33 1HG LYS 4 HG2 LYS 4 -2.024 -5.403 5.507 34 2HG LYS 4 HG1 LYS 4 -3.295 -4.823 6.570 35 1HD LYS 4 HD2 LYS 4 -2.586 -7.092 7.232 36 2HD LYS 4 HD1 LYS 4 -4.259 -7.093 6.691 37 1HE LYS 4 HE2 LYS 4 -2.619 -8.935 5.786 38 2HE LYS 4 HE1 LYS 4 -3.746 -8.174 4.673 39 1HZ LYS 4 HZ2 LYS 4 -0.998 -7.157 5.079 40 2HZ LYS 4 HZ1 LYS 4 -1.363 -8.354 3.930 41 3HZ LYS 4 HZ3 LYS 4 -2.067 -6.815 3.806 42 H LEU 5 HN LEU 5 -1.830 -2.443 4.275 43 HA LEU 5 HA LEU 5 -0.960 -3.010 1.505 44 1HB LEU 5 HB2 LEU 5 -0.825 -0.697 2.134 45 2HB LEU 5 HB1 LEU 5 -0.006 -1.074 3.639 46 HG LEU 5 HG LEU 5 1.975 -1.905 2.248 47 1HD1 LEU 5 HD12 LEU 5 0.351 -0.632 0.023 48 2HD1 LEU 5 HD11 LEU 5 2.030 -1.131 -0.119 49 3HD1 LEU 5 HD13 LEU 5 0.778 -2.335 0.138 50 1HD2 LEU 5 HD22 LEU 5 1.695 0.454 3.223 51 2HD2 LEU 5 HD21 LEU 5 2.848 0.275 1.907 52 3HD2 LEU 5 HD23 LEU 5 1.256 0.947 1.593 53 H ILE 6 HN ILE 6 1.062 -3.890 1.010 54 HA ILE 6 HA ILE 6 2.516 -5.228 3.213 55 HB ILE 6 HB ILE 6 2.087 -6.393 0.455 56 1HG1 ILE 6 HG12 ILE 6 0.622 -6.843 3.071 57 2HG1 ILE 6 HG11 ILE 6 -0.070 -6.359 1.527 58 1HG2 ILE 6 HG22 ILE 6 4.116 -7.046 1.926 59 2HG2 ILE 6 HG21 ILE 6 2.938 -7.807 2.988 60 3HG2 ILE 6 HG23 ILE 6 3.108 -8.355 1.323 61 1HD1 ILE 6 HD3 ILE 6 0.882 -8.590 0.616 62 2HD1 ILE 6 HD2 ILE 6 1.067 -9.050 2.306 63 3HD1 ILE 6 HD1 ILE 6 -0.529 -8.686 1.663 64 H LEU 7 HN LEU 7 4.284 -3.932 3.326 65 HA LEU 7 HA LEU 7 5.514 -2.823 0.924 66 1HB LEU 7 HB2 LEU 7 6.324 -2.802 3.830 67 2HB LEU 7 HB1 LEU 7 7.251 -2.007 2.565 68 HG LEU 7 HG LEU 7 4.358 -1.405 2.526 69 1HD1 LEU 7 HD11 LEU 7 6.137 -0.675 4.864 70 2HD1 LEU 7 HD13 LEU 7 4.731 0.291 4.427 71 3HD1 LEU 7 HD12 LEU 7 4.528 -1.391 4.910 72 1HD2 LEU 7 HD23 LEU 7 6.107 -0.306 1.106 73 2HD2 LEU 7 HD22 LEU 7 5.220 0.847 2.099 74 3HD2 LEU 7 HD21 LEU 7 6.840 0.345 2.567 75 H ASN 8 HN ASN 8 6.749 -3.987 -0.381 76 HA ASN 8 HA ASN 8 8.357 -6.214 0.790 77 1HB ASN 8 HB2 ASN 8 6.795 -5.882 -1.633 78 2HB ASN 8 HB1 ASN 8 8.435 -6.358 -2.022 79 1HD2 ASN 8 HD22 ASN 8 5.975 -9.161 -0.874 80 2HD2 ASN 8 HD21 ASN 8 5.562 -7.709 -1.636 81 H GLY 9 HN GLY 9 9.209 -3.562 1.130 82 1HA GLY 9 HA2 GLY 9 10.963 -2.515 -0.793 83 2HA GLY 9 HA1 GLY 9 11.202 -2.325 0.935 84 H LYS 10 HN LYS 10 13.076 -2.853 -1.344 85 HA LYS 10 HA LYS 10 14.098 -5.494 -1.269 86 1HB LYS 10 HB2 LYS 10 14.872 -3.021 -2.391 87 2HB LYS 10 HB1 LYS 10 16.249 -3.577 -1.446 88 1HG LYS 10 HG2 LYS 10 16.027 -5.823 -2.569 89 2HG LYS 10 HG1 LYS 10 14.784 -5.129 -3.604 90 1HD LYS 10 HD2 LYS 10 16.466 -4.481 -4.978 91 2HD LYS 10 HD1 LYS 10 16.875 -3.284 -3.753 92 1HE LYS 10 HE2 LYS 10 18.865 -4.601 -4.247 93 2HE LYS 10 HE1 LYS 10 18.314 -5.003 -2.627 94 1HZ LYS 10 HZ2 LYS 10 17.149 -6.631 -4.693 95 2HZ LYS 10 HZ1 LYS 10 18.836 -6.786 -4.571 96 3HZ LYS 10 HZ3 LYS 10 17.855 -7.085 -3.216 97 H THR 11 HN THR 11 14.816 -2.695 0.758 98 HA THR 11 HA THR 11 16.177 -4.527 2.690 99 HB THR 11 HB THR 11 17.258 -2.157 3.353 100 HG1 THR 11 HG1 THR 11 17.412 -0.964 1.399 101 1HG2 THR 11 HG22 THR 11 17.976 -4.035 1.103 102 2HG2 THR 11 HG21 THR 11 18.920 -2.569 1.345 103 3HG2 THR 11 HG23 THR 11 18.828 -3.778 2.622 104 H LEU 12 HN LEU 12 13.343 -3.124 2.237 105 HA LEU 12 HA LEU 12 12.963 -2.690 5.153 106 1HB LEU 12 HB2 LEU 12 13.456 -0.475 3.923 107 2HB LEU 12 HB1 LEU 12 11.868 -0.679 3.195 108 HG LEU 12 HG LEU 12 11.091 -1.085 5.684 109 1HD1 LEU 12 HD13 LEU 12 13.746 -0.775 6.212 110 2HD1 LEU 12 HD12 LEU 12 13.202 0.890 6.383 111 3HD1 LEU 12 HD11 LEU 12 12.483 -0.378 7.371 112 1HD2 LEU 12 HD21 LEU 12 11.798 1.572 4.414 113 2HD2 LEU 12 HD23 LEU 12 10.231 0.770 4.443 114 3HD2 LEU 12 HD22 LEU 12 10.891 1.467 5.919 115 H LYS 13 HN LYS 13 11.663 -4.491 5.288 116 HA LYS 13 HA LYS 13 9.238 -4.564 3.556 117 1HB LYS 13 HB2 LYS 13 10.380 -6.680 5.393 118 2HB LYS 13 HB1 LYS 13 8.985 -6.885 4.345 119 1HG LYS 13 HG2 LYS 13 10.699 -6.037 2.484 120 2HG LYS 13 HG1 LYS 13 11.885 -6.662 3.624 121 1HD LYS 13 HD2 LYS 13 10.681 -8.838 3.658 122 2HD LYS 13 HD1 LYS 13 9.536 -8.210 2.479 123 1HE LYS 13 HE2 LYS 13 11.793 -7.635 1.157 124 2HE LYS 13 HE1 LYS 13 12.404 -8.977 2.117 125 1HZ LYS 13 HZ2 LYS 13 9.895 -9.185 0.573 126 2HZ LYS 13 HZ1 LYS 13 11.407 -9.517 -0.125 127 3HZ LYS 13 HZ3 LYS 13 10.861 -10.435 1.195 128 H GLY 14 HN GLY 14 7.230 -4.289 4.387 129 1HA GLY 14 HA2 GLY 14 6.734 -4.493 7.264 130 2HA GLY 14 HA1 GLY 14 6.674 -2.844 6.652 131 H GLU 15 HN GLU 15 4.414 -2.998 7.406 132 HA GLU 15 HA GLU 15 2.597 -3.417 5.232 133 1HB GLU 15 HB2 GLU 15 1.312 -5.311 6.128 134 2HB GLU 15 HB1 GLU 15 2.970 -5.803 5.817 135 1HG GLU 15 HG2 GLU 15 3.250 -4.953 8.367 136 2HG GLU 15 HG1 GLU 15 1.558 -5.444 8.417 137 H THR 16 HN THR 16 0.916 -2.079 5.596 138 HA THR 16 HA THR 16 -0.012 -1.643 8.377 139 HB THR 16 HB THR 16 1.763 0.105 7.986 140 HG1 THR 16 HG1 THR 16 -0.292 0.349 9.187 141 1HG2 THR 16 HG22 THR 16 0.621 0.283 5.430 142 2HG2 THR 16 HG21 THR 16 0.007 1.703 6.267 143 3HG2 THR 16 HG23 THR 16 1.743 1.443 6.128 144 H THR 17 HN THR 17 -2.085 -0.577 8.486 145 HA THR 17 HA THR 17 -3.653 -0.966 5.971 146 HB THR 17 HB THR 17 -5.513 -1.568 7.321 147 HG1 THR 17 HG1 THR 17 -4.183 -0.558 9.593 148 1HG2 THR 17 HG22 THR 17 -3.167 -2.900 7.867 149 2HG2 THR 17 HG21 THR 17 -3.591 -2.294 9.462 150 3HG2 THR 17 HG23 THR 17 -4.715 -3.328 8.583 151 H THR 18 HN THR 18 -4.891 0.668 5.154 152 HA THR 18 HA THR 18 -4.948 3.249 6.671 153 HB THR 18 HB THR 18 -3.261 3.105 4.644 154 HG1 THR 18 HG1 THR 18 -3.526 5.203 4.851 155 1HG2 THR 18 HG22 THR 18 -5.342 2.248 3.180 156 2HG2 THR 18 HG21 THR 18 -5.700 3.970 3.114 157 3HG2 THR 18 HG23 THR 18 -4.167 3.364 2.495 158 H GLU 19 HN GLU 19 -6.804 4.492 6.416 159 HA GLU 19 HA GLU 19 -9.164 2.983 5.516 160 1HB GLU 19 HB2 GLU 19 -8.830 4.641 7.597 161 2HB GLU 19 HB1 GLU 19 -9.397 5.811 6.412 162 1HG GLU 19 HG2 GLU 19 -11.261 4.055 5.907 163 2HG GLU 19 HG1 GLU 19 -10.811 3.362 7.463 164 H ALA 20 HN ALA 20 -9.987 3.151 3.543 165 HA ALA 20 HA ALA 20 -9.710 5.723 2.069 166 1HB ALA 20 HB3 ALA 20 -8.451 3.162 1.396 167 2HB ALA 20 HB2 ALA 20 -9.396 3.840 0.073 168 3HB ALA 20 HB1 ALA 20 -8.092 4.776 0.797 169 H VAL 21 HN VAL 21 -11.423 6.185 0.716 170 HA VAL 21 HA VAL 21 -13.825 4.521 1.116 171 HB VAL 21 HB VAL 21 -13.711 7.112 1.210 172 1HG1 VAL 21 HG13 VAL 21 -12.559 6.996 -1.170 173 2HG1 VAL 21 HG12 VAL 21 -14.219 6.911 -1.746 174 3HG1 VAL 21 HG11 VAL 21 -13.684 8.299 -0.804 175 1HG2 VAL 21 HG21 VAL 21 -15.786 5.637 -0.448 176 2HG2 VAL 21 HG23 VAL 21 -15.821 5.878 1.295 177 3HG2 VAL 21 HG22 VAL 21 -16.009 7.254 0.213 178 H ASP 22 HN ASP 22 -11.361 4.842 -1.176 179 HA ASP 22 HA ASP 22 -12.786 3.026 -3.001 180 1HB ASP 22 HB2 ASP 22 -12.743 4.406 -4.921 181 2HB ASP 22 HB1 ASP 22 -13.317 5.475 -3.644 182 H ALA 23 HN ALA 23 -11.205 2.765 -5.053 183 HA ALA 23 HA ALA 23 -8.687 1.824 -3.876 184 1HB ALA 23 HB3 ALA 23 -10.063 1.512 -6.518 185 2HB ALA 23 HB2 ALA 23 -8.342 1.157 -6.403 186 3HB ALA 23 HB1 ALA 23 -9.493 0.271 -5.407 187 H ALA 24 HN ALA 24 -9.665 4.128 -6.390 188 HA ALA 24 HA ALA 24 -7.140 4.977 -7.260 189 1HB ALA 24 HB3 ALA 24 -9.433 5.736 -8.095 190 2HB ALA 24 HB2 ALA 24 -9.430 6.884 -6.761 191 3HB ALA 24 HB1 ALA 24 -8.194 6.984 -8.011 192 H THR 25 HN THR 25 -9.036 6.319 -4.565 193 HA THR 25 HA THR 25 -6.967 8.121 -3.717 194 HB THR 25 HB THR 25 -9.419 8.277 -3.023 195 HG1 THR 25 HG1 THR 25 -7.097 8.448 -1.546 196 1HG2 THR 25 HG23 THR 25 -9.401 5.744 -2.304 197 2HG2 THR 25 HG22 THR 25 -8.606 6.342 -0.854 198 3HG2 THR 25 HG21 THR 25 -10.222 6.900 -1.263 199 H ALA 26 HN ALA 26 -7.730 4.775 -2.954 200 HA ALA 26 HA ALA 26 -5.971 4.477 -0.726 201 1HB ALA 26 HB3 ALA 26 -7.689 2.796 -1.414 202 2HB ALA 26 HB2 ALA 26 -6.678 2.384 -2.796 203 3HB ALA 26 HB1 ALA 26 -6.099 2.082 -1.161 204 H GLU 27 HN GLU 27 -5.429 4.395 -4.191 205 HA GLU 27 HA GLU 27 -2.759 3.338 -4.116 206 1HB GLU 27 HB2 GLU 27 -4.407 4.852 -6.095 207 2HB GLU 27 HB1 GLU 27 -2.670 4.805 -6.348 208 1HG GLU 27 HG2 GLU 27 -2.732 2.320 -6.216 209 2HG GLU 27 HG1 GLU 27 -4.479 2.393 -6.010 210 H LYS 28 HN LYS 28 -4.067 6.609 -3.970 211 HA LYS 28 HA LYS 28 -1.404 7.821 -3.876 212 1HB LYS 28 HB2 LYS 28 -3.994 9.186 -3.163 213 2HB LYS 28 HB1 LYS 28 -2.528 9.907 -3.817 214 1HG LYS 28 HG2 LYS 28 -2.863 8.584 -5.917 215 2HG LYS 28 HG1 LYS 28 -4.383 7.988 -5.264 216 1HD LYS 28 HD2 LYS 28 -5.177 10.345 -5.041 217 2HD LYS 28 HD1 LYS 28 -3.683 10.892 -5.795 218 1HE LYS 28 HE2 LYS 28 -4.577 8.925 -7.538 219 2HE LYS 28 HE1 LYS 28 -6.068 9.708 -7.029 220 1HZ LYS 28 HZ3 LYS 28 -3.735 11.295 -7.879 221 2HZ LYS 28 HZ2 LYS 28 -4.822 10.659 -9.019 222 3HZ LYS 28 HZ1 LYS 28 -5.372 11.745 -7.834 223 H VAL 29 HN VAL 29 -3.835 6.791 -1.599 224 HA VAL 29 HA VAL 29 -2.865 8.254 0.675 225 HB VAL 29 HB VAL 29 -4.369 5.631 0.525 226 1HG1 VAL 29 HG12 VAL 29 -3.700 7.480 2.831 227 2HG1 VAL 29 HG11 VAL 29 -5.012 6.308 2.904 228 3HG1 VAL 29 HG13 VAL 29 -3.352 5.758 2.699 229 1HG2 VAL 29 HG22 VAL 29 -5.161 8.209 -0.169 230 2HG2 VAL 29 HG21 VAL 29 -6.243 6.887 0.254 231 3HG2 VAL 29 HG23 VAL 29 -5.737 8.038 1.486 232 H PHE 30 HN PHE 30 -2.422 4.817 -0.175 233 HA PHE 30 HA PHE 30 -0.430 4.351 1.833 234 1HB PHE 30 HB2 PHE 30 -1.305 2.919 -0.650 235 2HB PHE 30 HB1 PHE 30 0.182 2.415 0.138 236 HD1 PHE 30 HD1 PHE 30 -0.123 2.319 2.886 237 HD2 PHE 30 HD2 PHE 30 -3.204 1.736 -0.003 238 HE1 PHE 30 HE1 PHE 30 -1.446 1.063 4.537 239 HE2 PHE 30 HE2 PHE 30 -4.496 0.482 1.647 240 HZ PHE 30 HZ PHE 30 -3.616 0.091 3.897 241 H LYS 31 HN LYS 31 -0.247 5.468 -1.493 242 HA LYS 31 HA LYS 31 2.568 5.168 -1.853 243 1HB LYS 31 HB2 LYS 31 1.077 5.662 -3.723 244 2HB LYS 31 HB1 LYS 31 0.679 7.225 -3.015 245 1HG LYS 31 HG2 LYS 31 2.689 8.162 -3.612 246 2HG LYS 31 HG1 LYS 31 3.574 6.659 -3.380 247 1HD LYS 31 HD2 LYS 31 2.762 5.774 -5.481 248 2HD LYS 31 HD1 LYS 31 1.646 7.120 -5.675 249 1HE LYS 31 HE2 LYS 31 3.276 8.518 -6.440 250 2HE LYS 31 HE1 LYS 31 4.455 7.931 -5.275 251 1HZ LYS 31 HZ1 LYS 31 3.851 5.915 -7.160 252 2HZ LYS 31 HZ3 LYS 31 4.319 7.337 -7.963 253 3HZ LYS 31 HZ2 LYS 31 5.347 6.638 -6.805 254 H GLN 32 HN GLN 32 0.659 7.897 -0.632 255 HA GLN 32 HA GLN 32 2.858 9.659 -0.185 256 1HB GLN 32 HB2 GLN 32 0.633 10.554 -0.089 257 2HB GLN 32 HB1 GLN 32 0.164 9.416 1.169 258 1HG GLN 32 HG2 GLN 32 1.358 10.547 2.827 259 2HG GLN 32 HG1 GLN 32 2.489 11.251 1.674 260 1HE2 GLN 32 HE22 GLN 32 0.183 13.874 0.704 261 2HE2 GLN 32 HE21 GLN 32 1.353 12.837 0.041 262 OH TYR 33 OH TYR 33 4.507 2.970 8.146 263 H TYR 33 HN TYR 33 1.629 6.944 1.600 264 HA TYR 33 HA TYR 33 3.089 7.537 4.047 265 1HB TYR 33 HB2 TYR 33 1.091 6.158 4.173 266 2HB TYR 33 HB1 TYR 33 1.782 4.999 3.043 267 HD1 TYR 33 HD1 TYR 33 3.754 3.625 3.730 268 HD2 TYR 33 HD2 TYR 33 1.749 6.158 6.495 269 HE1 TYR 33 HE1 TYR 33 4.831 2.447 5.589 270 HE2 TYR 33 HE2 TYR 33 2.825 4.980 8.355 271 HH TYR 33 HH TYR 33 4.033 3.190 8.951 272 H ALA 34 HN ALA 34 3.464 5.058 1.531 273 HA ALA 34 HA ALA 34 5.888 3.938 2.361 274 1HB ALA 34 HB1 ALA 34 4.293 3.763 0.095 275 2HB ALA 34 HB3 ALA 34 5.826 4.361 -0.530 276 3HB ALA 34 HB2 ALA 34 5.773 2.854 0.380 277 H ASN 35 HN ASN 35 5.308 7.004 0.794 278 HA ASN 35 HA ASN 35 7.954 7.611 -0.046 279 1HB ASN 35 HB2 ASN 35 6.053 8.994 -0.708 280 2HB ASN 35 HB1 ASN 35 5.780 9.462 0.968 281 1HD2 ASN 35 HD22 ASN 35 9.214 10.885 -0.811 282 2HD2 ASN 35 HD21 ASN 35 8.677 9.319 -1.187 283 H ASP 36 HN ASP 36 6.342 8.112 3.062 284 HA ASP 36 HA ASP 36 8.563 9.463 4.305 285 1HB ASP 36 HB2 ASP 36 6.077 8.108 5.292 286 2HB ASP 36 HB1 ASP 36 7.328 8.558 6.448 287 H ASN 37 HN ASN 37 8.590 6.526 3.037 288 HA ASN 37 HA ASN 37 10.445 5.443 5.125 289 1HB ASN 37 HB2 ASN 37 8.436 3.929 3.439 290 2HB ASN 37 HB1 ASN 37 9.680 3.159 4.421 291 1HD2 ASN 37 HD22 ASN 37 6.365 4.726 6.193 292 2HD2 ASN 37 HD21 ASN 37 6.631 4.911 4.527 293 H GLY 38 HN GLY 38 9.695 5.915 1.761 294 1HA GLY 38 HA2 GLY 38 11.414 6.214 0.088 295 2HA GLY 38 HA1 GLY 38 12.523 5.297 1.103 296 H VAL 39 HN VAL 39 9.256 4.254 0.419 297 HA VAL 39 HA VAL 39 10.373 2.010 -1.228 298 HB VAL 39 HB VAL 39 7.959 2.028 0.603 299 1HG1 VAL 39 HG12 VAL 39 8.866 0.236 -1.562 300 2HG1 VAL 39 HG11 VAL 39 8.533 -0.588 -0.041 301 3HG1 VAL 39 HG13 VAL 39 7.277 0.373 -0.814 302 1HG2 VAL 39 HG21 VAL 39 10.162 1.974 1.762 303 2HG2 VAL 39 HG23 VAL 39 9.300 0.448 1.938 304 3HG2 VAL 39 HG22 VAL 39 10.626 0.582 0.788 305 H ASP 40 HN ASP 40 10.035 2.861 -3.263 306 HA ASP 40 HA ASP 40 7.202 3.010 -4.102 307 1HB ASP 40 HB2 ASP 40 9.110 5.305 -4.090 308 2HB ASP 40 HB1 ASP 40 8.016 5.155 -5.463 309 H GLY 41 HN GLY 41 6.886 2.267 -6.137 310 1HA GLY 41 HA2 GLY 41 8.577 2.377 -8.350 311 2HA GLY 41 HA1 GLY 41 9.085 0.935 -7.476 312 H GLU 42 HN GLU 42 7.659 -0.818 -7.309 313 HA GLU 42 HA GLU 42 5.528 -0.826 -9.385 314 1HB GLU 42 HB2 GLU 42 6.365 -3.249 -7.846 315 2HB GLU 42 HB1 GLU 42 5.810 -3.133 -9.511 316 1HG GLU 42 HG2 GLU 42 7.959 -1.813 -9.983 317 2HG GLU 42 HG1 GLU 42 8.512 -2.338 -8.395 318 CH2 TRP 43 CH2 TRP 43 2.069 2.591 -2.231 319 H TRP 43 HN TRP 43 3.428 -0.863 -8.841 320 HA TRP 43 HA TRP 43 2.735 -1.369 -5.968 321 1HB TRP 43 HB2 TRP 43 1.753 0.681 -7.927 322 2HB TRP 43 HB1 TRP 43 0.755 0.205 -6.564 323 HD1 TRP 43 HD1 TRP 43 4.348 1.436 -7.284 324 HE1 TRP 43 HE1 TRP 43 5.050 2.810 -5.268 325 HE3 TRP 43 HE3 TRP 43 0.352 0.702 -4.413 326 HZ2 TRP 43 HZ2 TRP 43 3.986 3.456 -2.582 327 HZ3 TRP 43 HZ3 TRP 43 0.175 1.612 -2.151 328 HH2 TRP 43 HH2 TRP 43 1.989 2.989 -1.232 329 H THR 44 HN THR 44 1.218 -2.842 -5.558 330 HA THR 44 HA THR 44 -0.410 -3.880 -7.848 331 HB THR 44 HB THR 44 -0.228 -6.138 -6.516 332 HG1 THR 44 HG1 THR 44 1.851 -6.030 -5.367 333 1HG2 THR 44 HG22 THR 44 2.282 -4.955 -7.771 334 2HG2 THR 44 HG21 THR 44 1.941 -6.670 -7.561 335 3HG2 THR 44 HG23 THR 44 0.984 -5.714 -8.689 336 OH TYR 45 OH TYR 45 -8.993 -1.483 -3.093 337 H TYR 45 HN TYR 45 -2.454 -4.720 -7.332 338 HA TYR 45 HA TYR 45 -3.559 -3.884 -4.672 339 1HB TYR 45 HB2 TYR 45 -4.172 -2.470 -6.760 340 2HB TYR 45 HB1 TYR 45 -5.130 -3.864 -7.262 341 HD1 TYR 45 HD1 TYR 45 -6.558 -4.804 -4.916 342 HD2 TYR 45 HD2 TYR 45 -5.516 -0.806 -5.889 343 HE1 TYR 45 HE1 TYR 45 -8.349 -3.994 -3.479 344 HE2 TYR 45 HE2 TYR 45 -7.347 0.004 -4.490 345 HH TYR 45 HH TYR 45 -9.281 -2.208 -2.536 346 H ASP 46 HN ASP 46 -4.445 -5.540 -3.584 347 HA ASP 46 HA ASP 46 -5.011 -8.066 -5.064 348 1HB ASP 46 HB2 ASP 46 -3.489 -7.881 -2.939 349 2HB ASP 46 HB1 ASP 46 -5.017 -7.836 -2.067 350 H ASP 47 HN ASP 47 -6.997 -6.861 -5.849 351 HA ASP 47 HA ASP 47 -9.129 -6.186 -4.071 352 1HB ASP 47 HB2 ASP 47 -9.167 -5.409 -6.363 353 2HB ASP 47 HB1 ASP 47 -9.170 -7.064 -6.969 354 H ALA 48 HN ALA 48 -7.725 -9.103 -4.448 355 HA ALA 48 HA ALA 48 -10.120 -10.777 -4.491 356 1HB ALA 48 HB1 ALA 48 -7.770 -11.411 -5.335 357 2HB ALA 48 HB3 ALA 48 -7.367 -11.663 -3.639 358 3HB ALA 48 HB2 ALA 48 -8.637 -12.621 -4.394 359 H THR 49 HN THR 49 -8.206 -9.176 -2.100 360 HA THR 49 HA THR 49 -10.013 -10.227 -0.002 361 HB THR 49 HB THR 49 -8.178 -10.937 1.469 362 HG1 THR 49 HG1 THR 49 -6.255 -10.599 -0.450 363 1HG2 THR 49 HG22 THR 49 -8.843 -12.557 -0.419 364 2HG2 THR 49 HG21 THR 49 -7.466 -11.924 -1.314 365 3HG2 THR 49 HG23 THR 49 -7.213 -12.767 0.211 366 H LYS 50 HN LYS 50 -9.219 -7.612 -1.399 367 HA LYS 50 HA LYS 50 -8.964 -5.361 -0.763 368 1HB LYS 50 HB2 LYS 50 -9.829 -6.300 1.977 369 2HB LYS 50 HB1 LYS 50 -10.069 -4.711 1.259 370 1HG LYS 50 HG2 LYS 50 -11.443 -5.868 -0.553 371 2HG LYS 50 HG1 LYS 50 -11.374 -7.322 0.437 372 1HD LYS 50 HD2 LYS 50 -12.140 -5.476 2.299 373 2HD LYS 50 HD1 LYS 50 -12.908 -4.822 0.858 374 1HE LYS 50 HE2 LYS 50 -13.896 -7.078 0.412 375 2HE LYS 50 HE1 LYS 50 -13.201 -7.651 1.922 376 1HZ LYS 50 HZ1 LYS 50 -14.689 -5.231 2.245 377 2HZ LYS 50 HZ3 LYS 50 -15.639 -6.495 1.623 378 3HZ LYS 50 HZ2 LYS 50 -14.808 -6.700 3.089 379 H THR 51 HN THR 51 -6.613 -6.308 -0.949 380 HA THR 51 HA THR 51 -5.163 -5.358 1.476 381 HB THR 51 HB THR 51 -5.029 -8.112 0.254 382 HG1 THR 51 HG1 THR 51 -4.340 -7.589 2.840 383 1HG2 THR 51 HG21 THR 51 -2.740 -6.716 1.693 384 2HG2 THR 51 HG23 THR 51 -2.836 -8.441 1.395 385 3HG2 THR 51 HG22 THR 51 -2.672 -7.327 0.046 386 H PHE 52 HN PHE 52 -3.744 -3.807 0.806 387 HA PHE 52 HA PHE 52 -3.078 -3.618 -2.042 388 1HB PHE 52 HB2 PHE 52 -3.052 -1.849 0.255 389 2HB PHE 52 HB1 PHE 52 -1.563 -1.733 -0.674 390 HD1 PHE 52 HD1 PHE 52 -1.627 -1.041 -3.064 391 HD2 PHE 52 HD2 PHE 52 -5.171 -1.247 -0.748 392 HE1 PHE 52 HE1 PHE 52 -2.852 0.214 -4.798 393 HE2 PHE 52 HE2 PHE 52 -6.348 0.109 -2.388 394 HZ PHE 52 HZ PHE 52 -5.180 0.889 -4.393 395 H THR 53 HN THR 53 -0.761 -3.281 -2.669 396 HA THR 53 HA THR 53 1.271 -4.398 -0.884 397 HB THR 53 HB THR 53 0.416 -5.925 -3.373 398 HG1 THR 53 HG1 THR 53 0.235 -7.494 -1.552 399 1HG2 THR 53 HG22 THR 53 2.906 -5.901 -1.754 400 2HG2 THR 53 HG21 THR 53 2.167 -7.490 -1.935 401 3HG2 THR 53 HG23 THR 53 2.636 -6.569 -3.361 402 H VAL 54 HN VAL 54 3.336 -3.842 -1.528 403 HA VAL 54 HA VAL 54 3.690 -2.676 -4.230 404 HB VAL 54 HB VAL 54 2.980 -0.820 -2.671 405 1HG1 VAL 54 HG13 VAL 54 4.172 -1.884 -0.696 406 2HG1 VAL 54 HG12 VAL 54 5.677 -1.282 -1.380 407 3HG1 VAL 54 HG11 VAL 54 4.421 -0.154 -0.881 408 1HG2 VAL 54 HG23 VAL 54 5.775 -0.778 -3.842 409 2HG2 VAL 54 HG22 VAL 54 4.296 -0.198 -4.588 410 3HG2 VAL 54 HG21 VAL 54 4.979 0.654 -3.212 411 H THR 55 HN THR 55 5.870 -2.632 -4.878 412 HA THR 55 HA THR 55 7.866 -3.792 -3.001 413 HB THR 55 HB THR 55 7.287 -4.966 -5.757 414 HG1 THR 55 HG1 THR 55 5.765 -5.675 -4.359 415 1HG2 THR 55 HG21 THR 55 9.487 -5.258 -3.782 416 2HG2 THR 55 HG23 THR 55 8.746 -6.774 -4.287 417 3HG2 THR 55 HG22 THR 55 9.457 -5.700 -5.483 418 H GLU 56 HN GLU 56 9.569 -2.453 -3.067 419 HA GLU 56 HA GLU 56 9.979 -0.467 -5.073 420 1HB GLU 56 HB2 GLU 56 11.110 -1.079 -2.613 421 2HB GLU 56 HB1 GLU 56 12.438 -1.307 -3.742 422 1HG GLU 56 HG2 GLU 56 11.834 0.954 -4.740 423 2HG GLU 56 HG1 GLU 56 10.729 1.174 -3.386 Start of MODEL 59 Raw file had 423 H/Q atoms Entry Start of MODEL 59 1 1H MET 1 HT2 MET 1 -13.569 -1.998 4.835 2 2H MET 1 HT1 MET 1 -14.309 -0.769 5.743 3 3H MET 1 HT3 MET 1 -15.184 -1.573 4.529 4 HA MET 1 HA MET 1 -13.885 -0.617 2.819 5 1HB MET 1 HB2 MET 1 -15.674 0.802 4.082 6 2HB MET 1 HB1 MET 1 -14.290 1.675 4.726 7 1HG MET 1 HG2 MET 1 -13.491 2.075 2.427 8 2HG MET 1 HG1 MET 1 -14.872 1.225 1.792 9 1HE MET 1 HE1 MET 1 -13.830 3.912 4.189 10 2HE MET 1 HE3 MET 1 -15.020 5.202 4.030 11 3HE MET 1 HE2 MET 1 -15.445 3.709 4.868 12 H THR 2 HN THR 2 -11.917 -1.775 4.372 13 HA THR 2 HA THR 2 -9.801 0.314 4.217 14 HB THR 2 HB THR 2 -9.906 -1.649 6.531 15 HG1 THR 2 HG1 THR 2 -11.705 -0.406 6.756 16 1HG2 THR 2 HG21 THR 2 -7.825 -0.133 5.774 17 2HG2 THR 2 HG23 THR 2 -8.761 1.124 6.574 18 3HG2 THR 2 HG22 THR 2 -8.244 -0.296 7.476 19 OH TYR 3 OH TYR 3 -11.673 0.191 -0.990 20 H TYR 3 HN TYR 3 -7.866 -0.433 3.436 21 HA TYR 3 HA TYR 3 -7.746 -3.358 2.771 22 1HB TYR 3 HB2 TYR 3 -6.175 -1.248 1.322 23 2HB TYR 3 HB1 TYR 3 -6.641 -2.846 0.764 24 HD1 TYR 3 HD1 TYR 3 -8.045 0.483 1.702 25 HD2 TYR 3 HD2 TYR 3 -8.676 -3.145 -0.411 26 HE1 TYR 3 HE1 TYR 3 -10.080 1.416 0.701 27 HE2 TYR 3 HE2 TYR 3 -10.705 -2.214 -1.419 28 HH TYR 3 HH TYR 3 -12.412 -0.368 -0.737 29 H LYS 4 HN LYS 4 -5.641 -4.349 2.837 30 HA LYS 4 HA LYS 4 -3.900 -3.111 4.929 31 1HB LYS 4 HB2 LYS 4 -5.057 -5.528 4.998 32 2HB LYS 4 HB1 LYS 4 -3.614 -5.966 4.102 33 1HG LYS 4 HG2 LYS 4 -2.428 -4.532 6.032 34 2HG LYS 4 HG1 LYS 4 -3.870 -5.011 6.921 35 1HD LYS 4 HD2 LYS 4 -1.984 -6.909 5.482 36 2HD LYS 4 HD1 LYS 4 -2.051 -6.662 7.223 37 1HE LYS 4 HE2 LYS 4 -4.267 -7.761 5.462 38 2HE LYS 4 HE1 LYS 4 -3.357 -8.643 6.680 39 1HZ LYS 4 HZ3 LYS 4 -4.243 -6.918 8.291 40 2HZ LYS 4 HZ2 LYS 4 -5.352 -6.503 7.073 41 3HZ LYS 4 HZ1 LYS 4 -5.341 -8.077 7.713 42 H LEU 5 HN LEU 5 -1.994 -2.308 4.265 43 HA LEU 5 HA LEU 5 -1.023 -2.970 1.563 44 1HB LEU 5 HB2 LEU 5 -0.914 -0.645 2.139 45 2HB LEU 5 HB1 LEU 5 -0.151 -0.985 3.680 46 HG LEU 5 HG LEU 5 1.892 -1.826 2.386 47 1HD1 LEU 5 HD12 LEU 5 0.395 -0.569 0.063 48 2HD1 LEU 5 HD11 LEU 5 2.056 -1.146 0.014 49 3HD1 LEU 5 HD13 LEU 5 0.736 -2.286 0.233 50 1HD2 LEU 5 HD23 LEU 5 1.570 0.537 3.312 51 2HD2 LEU 5 HD22 LEU 5 2.756 0.360 2.025 52 3HD2 LEU 5 HD21 LEU 5 1.164 1.010 1.668 53 H ILE 6 HN ILE 6 1.046 -3.813 1.137 54 HA ILE 6 HA ILE 6 2.475 -5.069 3.396 55 HB ILE 6 HB ILE 6 1.599 -6.318 0.800 56 1HG1 ILE 6 HG12 ILE 6 1.552 -7.301 3.678 57 2HG1 ILE 6 HG11 ILE 6 0.201 -6.490 2.904 58 1HG2 ILE 6 HG21 ILE 6 3.936 -7.035 2.582 59 2HG2 ILE 6 HG23 ILE 6 3.133 -8.255 1.602 60 3HG2 ILE 6 HG22 ILE 6 3.909 -6.882 0.829 61 1HD1 ILE 6 HD1 ILE 6 0.687 -8.423 1.052 62 2HD1 ILE 6 HD3 ILE 6 1.227 -9.258 2.504 63 3HD1 ILE 6 HD2 ILE 6 -0.420 -8.649 2.401 64 H LEU 7 HN LEU 7 4.281 -3.836 3.452 65 HA LEU 7 HA LEU 7 5.473 -2.759 1.017 66 1HB LEU 7 HB2 LEU 7 6.172 -2.652 3.933 67 2HB LEU 7 HB1 LEU 7 7.311 -2.081 2.720 68 HG LEU 7 HG LEU 7 4.503 -1.142 2.430 69 1HD1 LEU 7 HD12 LEU 7 6.363 -0.245 4.654 70 2HD1 LEU 7 HD11 LEU 7 4.968 0.686 4.118 71 3HD1 LEU 7 HD13 LEU 7 4.743 -0.907 4.835 72 1HD2 LEU 7 HD21 LEU 7 6.525 -0.519 0.983 73 2HD2 LEU 7 HD23 LEU 7 5.598 0.835 1.619 74 3HD2 LEU 7 HD22 LEU 7 7.124 0.379 2.373 75 H ASN 8 HN ASN 8 6.700 -3.922 -0.304 76 HA ASN 8 HA ASN 8 8.357 -6.116 0.861 77 1HB ASN 8 HB2 ASN 8 6.755 -5.825 -1.565 78 2HB ASN 8 HB1 ASN 8 8.377 -6.382 -1.913 79 1HD2 ASN 8 HD22 ASN 8 5.802 -9.029 -0.664 80 2HD2 ASN 8 HD21 ASN 8 5.455 -7.601 -1.502 81 H GLY 9 HN GLY 9 9.145 -3.432 1.101 82 1HA GLY 9 HA2 GLY 9 10.777 -2.312 -0.845 83 2HA GLY 9 HA1 GLY 9 11.147 -2.208 0.868 84 H LYS 10 HN LYS 10 12.997 -2.448 -1.348 85 HA LYS 10 HA LYS 10 14.010 -5.055 -1.752 86 1HB LYS 10 HB2 LYS 10 14.894 -2.350 -2.197 87 2HB LYS 10 HB1 LYS 10 16.227 -3.299 -1.553 88 1HG LYS 10 HG2 LYS 10 15.979 -4.958 -3.305 89 2HG LYS 10 HG1 LYS 10 14.490 -4.209 -3.871 90 1HD LYS 10 HD2 LYS 10 16.409 -3.565 -5.299 91 2HD LYS 10 HD1 LYS 10 15.735 -2.163 -4.475 92 1HE LYS 10 HE2 LYS 10 17.557 -1.956 -3.049 93 2HE LYS 10 HE1 LYS 10 17.936 -3.673 -3.112 94 1HZ LYS 10 HZ3 LYS 10 18.196 -2.499 -5.675 95 2HZ LYS 10 HZ2 LYS 10 19.137 -1.655 -4.541 96 3HZ LYS 10 HZ1 LYS 10 19.354 -3.327 -4.749 97 H THR 11 HN THR 11 15.319 -2.636 0.489 98 HA THR 11 HA THR 11 16.333 -4.864 2.189 99 HB THR 11 HB THR 11 17.675 -2.850 3.210 100 HG1 THR 11 HG1 THR 11 16.882 -1.089 2.314 101 1HG2 THR 11 HG21 THR 11 18.045 -4.286 0.648 102 2HG2 THR 11 HG23 THR 11 18.899 -2.749 0.739 103 3HG2 THR 11 HG22 THR 11 19.212 -4.003 1.935 104 H LEU 12 HN LEU 12 13.570 -3.449 2.030 105 HA LEU 12 HA LEU 12 13.280 -3.266 4.978 106 1HB LEU 12 HB2 LEU 12 13.735 -0.954 3.892 107 2HB LEU 12 HB1 LEU 12 12.099 -1.096 3.259 108 HG LEU 12 HG LEU 12 11.614 -1.767 5.826 109 1HD1 LEU 12 HD13 LEU 12 14.177 -1.325 6.186 110 2HD1 LEU 12 HD12 LEU 12 13.715 0.373 6.139 111 3HD1 LEU 12 HD11 LEU 12 13.034 -0.692 7.366 112 1HD2 LEU 12 HD23 LEU 12 11.899 1.030 4.676 113 2HD2 LEU 12 HD22 LEU 12 10.460 0.018 4.629 114 3HD2 LEU 12 HD21 LEU 12 11.034 0.662 6.165 115 H LYS 13 HN LYS 13 11.213 -3.755 5.708 116 HA LYS 13 HA LYS 13 9.095 -4.215 3.689 117 1HB LYS 13 HB2 LYS 13 9.942 -6.370 5.638 118 2HB LYS 13 HB1 LYS 13 8.691 -6.497 4.409 119 1HG LYS 13 HG2 LYS 13 10.484 -6.002 2.678 120 2HG LYS 13 HG1 LYS 13 11.672 -6.169 3.966 121 1HD LYS 13 HD2 LYS 13 10.281 -8.441 4.380 122 2HD LYS 13 HD1 LYS 13 9.990 -8.253 2.654 123 1HE LYS 13 HE2 LYS 13 12.506 -7.911 2.392 124 2HE LYS 13 HE1 LYS 13 12.665 -8.431 4.064 125 1HZ LYS 13 HZ2 LYS 13 11.387 -10.467 3.371 126 2HZ LYS 13 HZ1 LYS 13 11.647 -9.982 1.764 127 3HZ LYS 13 HZ3 LYS 13 12.970 -10.335 2.770 128 H GLY 14 HN GLY 14 6.973 -4.396 4.624 129 1HA GLY 14 HA2 GLY 14 6.513 -4.223 7.456 130 2HA GLY 14 HA1 GLY 14 6.458 -2.613 6.746 131 H GLU 15 HN GLU 15 4.192 -2.769 7.562 132 HA GLU 15 HA GLU 15 2.371 -3.257 5.403 133 1HB GLU 15 HB2 GLU 15 1.095 -5.133 6.367 134 2HB GLU 15 HB1 GLU 15 2.750 -5.622 6.028 135 1HG GLU 15 HG2 GLU 15 3.221 -4.894 8.495 136 2HG GLU 15 HG1 GLU 15 1.474 -5.015 8.692 137 H THR 16 HN THR 16 0.595 -2.034 5.737 138 HA THR 16 HA THR 16 -0.339 -1.493 8.486 139 HB THR 16 HB THR 16 1.445 0.266 7.999 140 HG1 THR 16 HG1 THR 16 -1.318 0.774 8.353 141 1HG2 THR 16 HG22 THR 16 0.284 0.414 5.498 142 2HG2 THR 16 HG21 THR 16 -0.514 1.738 6.338 143 3HG2 THR 16 HG23 THR 16 1.242 1.705 6.212 144 H THR 17 HN THR 17 -2.446 -0.492 8.532 145 HA THR 17 HA THR 17 -3.936 -0.890 5.960 146 HB THR 17 HB THR 17 -5.802 -1.657 7.229 147 HG1 THR 17 HG1 THR 17 -5.243 -1.183 9.700 148 1HG2 THR 17 HG21 THR 17 -3.380 -2.893 7.744 149 2HG2 THR 17 HG23 THR 17 -3.915 -2.458 9.363 150 3HG2 THR 17 HG22 THR 17 -4.930 -3.473 8.344 151 H THR 18 HN THR 18 -5.274 0.684 5.210 152 HA THR 18 HA THR 18 -5.637 3.138 6.868 153 HB THR 18 HB THR 18 -3.709 3.296 5.082 154 HG1 THR 18 HG1 THR 18 -5.910 5.096 5.024 155 1HG2 THR 18 HG22 THR 18 -5.495 2.393 3.296 156 2HG2 THR 18 HG21 THR 18 -5.997 4.082 3.298 157 3HG2 THR 18 HG23 THR 18 -4.348 3.653 2.852 158 H GLU 19 HN GLU 19 -7.523 4.317 6.413 159 HA GLU 19 HA GLU 19 -9.637 2.722 5.104 160 1HB GLU 19 HB2 GLU 19 -9.673 5.263 6.742 161 2HB GLU 19 HB1 GLU 19 -11.116 4.595 5.988 162 1HG GLU 19 HG2 GLU 19 -10.983 3.775 8.284 163 2HG GLU 19 HG1 GLU 19 -10.674 2.431 7.190 164 H ALA 20 HN ALA 20 -10.386 3.103 3.113 165 HA ALA 20 HA ALA 20 -9.986 5.801 1.906 166 1HB ALA 20 HB1 ALA 20 -8.715 3.279 1.075 167 2HB ALA 20 HB3 ALA 20 -9.502 4.155 -0.235 168 3HB ALA 20 HB2 ALA 20 -8.249 4.938 0.723 169 H VAL 21 HN VAL 21 -11.627 6.432 0.558 170 HA VAL 21 HA VAL 21 -14.059 4.806 0.608 171 HB VAL 21 HB VAL 21 -14.053 7.311 0.832 172 1HG1 VAL 21 HG11 VAL 21 -12.292 7.583 -1.003 173 2HG1 VAL 21 HG13 VAL 21 -13.579 7.283 -2.163 174 3HG1 VAL 21 HG12 VAL 21 -13.660 8.682 -1.101 175 1HG2 VAL 21 HG23 VAL 21 -16.085 6.045 0.161 176 2HG2 VAL 21 HG22 VAL 21 -16.031 7.629 -0.606 177 3HG2 VAL 21 HG21 VAL 21 -15.606 6.189 -1.527 178 H ASP 22 HN ASP 22 -11.451 5.351 -1.578 179 HA ASP 22 HA ASP 22 -12.775 3.551 -3.541 180 1HB ASP 22 HB2 ASP 22 -12.029 5.015 -5.415 181 2HB ASP 22 HB1 ASP 22 -13.211 5.808 -4.378 182 H ALA 23 HN ALA 23 -11.210 2.703 -5.150 183 HA ALA 23 HA ALA 23 -8.789 1.832 -3.807 184 1HB ALA 23 HB2 ALA 23 -10.138 1.294 -6.401 185 2HB ALA 23 HB1 ALA 23 -8.402 1.000 -6.341 186 3HB ALA 23 HB3 ALA 23 -9.476 0.163 -5.224 187 H ALA 24 HN ALA 24 -9.599 4.429 -5.905 188 HA ALA 24 HA ALA 24 -6.947 4.876 -6.985 189 1HB ALA 24 HB1 ALA 24 -9.557 6.077 -7.206 190 2HB ALA 24 HB3 ALA 24 -8.349 7.329 -6.930 191 3HB ALA 24 HB2 ALA 24 -8.180 6.227 -8.294 192 H THR 25 HN THR 25 -8.809 6.532 -4.430 193 HA THR 25 HA THR 25 -6.617 8.186 -3.619 194 HB THR 25 HB THR 25 -9.076 8.569 -3.025 195 HG1 THR 25 HG1 THR 25 -6.880 8.551 -1.239 196 1HG2 THR 25 HG21 THR 25 -9.254 6.145 -2.034 197 2HG2 THR 25 HG23 THR 25 -8.388 6.820 -0.659 198 3HG2 THR 25 HG22 THR 25 -9.960 7.464 -1.107 199 H ALA 26 HN ALA 26 -7.448 4.897 -2.947 200 HA ALA 26 HA ALA 26 -5.912 4.602 -0.531 201 1HB ALA 26 HB3 ALA 26 -6.604 2.556 -2.663 202 2HB ALA 26 HB2 ALA 26 -5.946 2.174 -1.074 203 3HB ALA 26 HB1 ALA 26 -7.545 2.899 -1.213 204 H GLU 27 HN GLU 27 -5.162 4.390 -3.962 205 HA GLU 27 HA GLU 27 -2.505 3.386 -3.726 206 1HB GLU 27 HB2 GLU 27 -3.851 5.134 -5.792 207 2HB GLU 27 HB1 GLU 27 -2.194 4.579 -5.964 208 1HG GLU 27 HG2 GLU 27 -2.998 2.224 -5.710 209 2HG GLU 27 HG1 GLU 27 -4.649 2.829 -5.666 210 H LYS 28 HN LYS 28 -3.716 6.724 -3.946 211 HA LYS 28 HA LYS 28 -1.120 7.933 -3.631 212 1HB LYS 28 HB2 LYS 28 -3.558 9.383 -2.711 213 2HB LYS 28 HB1 LYS 28 -2.215 9.961 -3.686 214 1HG LYS 28 HG2 LYS 28 -3.062 8.402 -5.541 215 2HG LYS 28 HG1 LYS 28 -4.512 8.190 -4.579 216 1HD LYS 28 HD2 LYS 28 -3.550 10.974 -5.250 217 2HD LYS 28 HD1 LYS 28 -4.483 10.058 -6.418 218 1HE LYS 28 HE2 LYS 28 -5.509 10.234 -3.607 219 2HE LYS 28 HE1 LYS 28 -5.695 11.628 -4.658 220 1HZ LYS 28 HZ3 LYS 28 -6.503 8.927 -5.530 221 2HZ LYS 28 HZ2 LYS 28 -7.547 9.920 -4.631 222 3HZ LYS 28 HZ1 LYS 28 -6.987 10.434 -6.150 223 H VAL 29 HN VAL 29 -3.735 7.191 -1.367 224 HA VAL 29 HA VAL 29 -2.615 8.406 0.939 225 HB VAL 29 HB VAL 29 -4.345 5.936 0.684 226 1HG1 VAL 29 HG12 VAL 29 -3.447 7.555 3.081 227 2HG1 VAL 29 HG11 VAL 29 -4.903 6.566 3.114 228 3HG1 VAL 29 HG13 VAL 29 -3.334 5.813 2.849 229 1HG2 VAL 29 HG23 VAL 29 -4.954 8.516 0.043 230 2HG2 VAL 29 HG22 VAL 29 -6.136 7.370 0.668 231 3HG2 VAL 29 HG21 VAL 29 -5.356 8.513 1.758 232 H PHE 30 HN PHE 30 -2.463 4.963 0.025 233 HA PHE 30 HA PHE 30 -0.538 4.269 2.007 234 1HB PHE 30 HB2 PHE 30 -1.468 3.023 -0.554 235 2HB PHE 30 HB1 PHE 30 -0.021 2.384 0.211 236 HD1 PHE 30 HD1 PHE 30 -0.377 2.197 2.968 237 HD2 PHE 30 HD2 PHE 30 -3.424 1.868 0.001 238 HE1 PHE 30 HE1 PHE 30 -1.792 0.949 4.544 239 HE2 PHE 30 HE2 PHE 30 -4.805 0.598 1.582 240 HZ PHE 30 HZ PHE 30 -3.987 0.114 3.839 241 H LYS 31 HN LYS 31 -0.183 5.446 -1.301 242 HA LYS 31 HA LYS 31 2.636 5.040 -1.522 243 1HB LYS 31 HB2 LYS 31 1.225 5.602 -3.458 244 2HB LYS 31 HB1 LYS 31 0.923 7.197 -2.775 245 1HG LYS 31 HG2 LYS 31 3.274 7.783 -2.940 246 2HG LYS 31 HG1 LYS 31 3.693 6.142 -3.420 247 1HD LYS 31 HD2 LYS 31 2.416 6.376 -5.490 248 2HD LYS 31 HD1 LYS 31 1.848 7.967 -4.995 249 1HE LYS 31 HE2 LYS 31 4.278 8.692 -4.885 250 2HE LYS 31 HE1 LYS 31 4.700 7.155 -5.631 251 1HZ LYS 31 HZ3 LYS 31 3.197 7.744 -7.478 252 2HZ LYS 31 HZ2 LYS 31 2.978 9.277 -6.779 253 3HZ LYS 31 HZ1 LYS 31 4.517 8.802 -7.319 254 H GLN 32 HN GLN 32 0.722 7.633 -0.131 255 HA GLN 32 HA GLN 32 2.860 9.475 0.318 256 1HB GLN 32 HB2 GLN 32 0.437 10.032 0.563 257 2HB GLN 32 HB1 GLN 32 0.388 9.049 2.021 258 1HG GLN 32 HG2 GLN 32 2.628 10.824 2.228 259 2HG GLN 32 HG1 GLN 32 1.218 11.775 1.767 260 1HE2 GLN 32 HE22 GLN 32 -0.258 11.543 4.944 261 2HE2 GLN 32 HE21 GLN 32 -0.253 12.263 3.407 262 OH TYR 33 OH TYR 33 4.879 2.599 8.427 263 H TYR 33 HN TYR 33 1.771 6.626 1.999 264 HA TYR 33 HA TYR 33 3.363 7.068 4.387 265 1HB TYR 33 HB2 TYR 33 1.367 5.611 4.403 266 2HB TYR 33 HB1 TYR 33 2.165 4.515 3.280 267 HD1 TYR 33 HD1 TYR 33 4.270 3.333 4.004 268 HD2 TYR 33 HD2 TYR 33 1.892 5.553 6.743 269 HE1 TYR 33 HE1 TYR 33 5.375 2.206 5.876 270 HE2 TYR 33 HE2 TYR 33 2.993 4.419 8.617 271 HH TYR 33 HH TYR 33 5.816 2.798 8.383 272 H ALA 34 HN ALA 34 3.660 4.623 1.818 273 HA ALA 34 HA ALA 34 6.196 3.645 2.431 274 1HB ALA 34 HB3 ALA 34 4.528 3.094 0.457 275 2HB ALA 34 HB2 ALA 34 5.559 4.202 -0.443 276 3HB ALA 34 HB1 ALA 34 6.247 2.754 0.285 277 H ASN 35 HN ASN 35 5.356 6.651 0.829 278 HA ASN 35 HA ASN 35 7.921 7.394 -0.129 279 1HB ASN 35 HB2 ASN 35 5.604 8.553 -0.431 280 2HB ASN 35 HB1 ASN 35 6.025 9.410 1.050 281 1HD2 ASN 35 HD22 ASN 35 7.347 11.149 -2.095 282 2HD2 ASN 35 HD21 ASN 35 5.831 10.457 -1.772 283 H ASP 36 HN ASP 36 6.474 7.690 3.066 284 HA ASP 36 HA ASP 36 8.543 9.321 4.214 285 1HB ASP 36 HB2 ASP 36 6.516 7.426 5.411 286 2HB ASP 36 HB1 ASP 36 7.661 8.325 6.405 287 H ASN 37 HN ASN 37 8.879 6.417 2.844 288 HA ASN 37 HA ASN 37 11.118 5.645 4.677 289 1HB ASN 37 HB2 ASN 37 9.047 3.902 3.349 290 2HB ASN 37 HB1 ASN 37 10.602 3.251 3.861 291 1HD2 ASN 37 HD22 ASN 37 7.745 4.066 6.620 292 2HD2 ASN 37 HD21 ASN 37 7.480 4.327 4.964 293 H GLY 38 HN GLY 38 9.987 6.207 1.475 294 1HA GLY 38 HA2 GLY 38 11.484 6.726 -0.348 295 2HA GLY 38 HA1 GLY 38 12.754 5.825 0.476 296 H VAL 39 HN VAL 39 9.702 4.305 0.414 297 HA VAL 39 HA VAL 39 10.745 2.330 -1.548 298 HB VAL 39 HB VAL 39 8.535 2.243 0.513 299 1HG1 VAL 39 HG12 VAL 39 9.044 0.521 -1.890 300 2HG1 VAL 39 HG11 VAL 39 8.539 -0.267 -0.399 301 3HG1 VAL 39 HG13 VAL 39 7.514 0.961 -1.137 302 1HG2 VAL 39 HG23 VAL 39 11.117 1.830 0.922 303 2HG2 VAL 39 HG22 VAL 39 9.936 0.735 1.633 304 3HG2 VAL 39 HG21 VAL 39 10.787 0.277 0.162 305 H ASP 40 HN ASP 40 10.259 2.976 -3.582 306 HA ASP 40 HA ASP 40 7.408 3.173 -4.294 307 1HB ASP 40 HB2 ASP 40 9.254 5.494 -4.250 308 2HB ASP 40 HB1 ASP 40 8.238 5.341 -5.680 309 H GLY 41 HN GLY 41 7.089 2.154 -6.168 310 1HA GLY 41 HA2 GLY 41 8.735 2.398 -8.484 311 2HA GLY 41 HA1 GLY 41 9.187 0.920 -7.636 312 H GLU 42 HN GLU 42 7.577 -0.714 -7.337 313 HA GLU 42 HA GLU 42 5.452 -0.619 -9.438 314 1HB GLU 42 HB2 GLU 42 6.470 -3.051 -7.981 315 2HB GLU 42 HB1 GLU 42 5.550 -3.007 -9.479 316 1HG GLU 42 HG2 GLU 42 7.456 -1.824 -10.580 317 2HG GLU 42 HG1 GLU 42 8.381 -1.970 -9.087 318 CH2 TRP 43 CH2 TRP 43 2.096 2.488 -2.107 319 H TRP 43 HN TRP 43 3.346 -0.778 -8.874 320 HA TRP 43 HA TRP 43 2.729 -1.293 -5.985 321 1HB TRP 43 HB2 TRP 43 1.720 0.805 -7.878 322 2HB TRP 43 HB1 TRP 43 0.730 0.294 -6.521 323 HD1 TRP 43 HD1 TRP 43 4.307 1.568 -7.240 324 HE1 TRP 43 HE1 TRP 43 5.025 2.873 -5.182 325 HE3 TRP 43 HE3 TRP 43 0.362 0.686 -4.343 326 HZ2 TRP 43 HZ2 TRP 43 4.001 3.388 -2.449 327 HZ3 TRP 43 HZ3 TRP 43 0.215 1.488 -2.041 328 HH2 TRP 43 HH2 TRP 43 2.030 2.836 -1.087 329 H THR 44 HN THR 44 1.211 -2.770 -5.564 330 HA THR 44 HA THR 44 -0.429 -3.788 -7.862 331 HB THR 44 HB THR 44 -0.328 -6.024 -6.488 332 HG1 THR 44 HG1 THR 44 1.677 -5.964 -5.258 333 1HG2 THR 44 HG23 THR 44 1.944 -4.755 -8.023 334 2HG2 THR 44 HG22 THR 44 2.174 -6.328 -7.265 335 3HG2 THR 44 HG21 THR 44 0.933 -6.116 -8.496 336 OH TYR 45 OH TYR 45 -8.867 -1.313 -3.043 337 H TYR 45 HN TYR 45 -2.392 -4.977 -7.133 338 HA TYR 45 HA TYR 45 -3.559 -3.931 -4.596 339 1HB TYR 45 HB2 TYR 45 -4.108 -2.525 -6.718 340 2HB TYR 45 HB1 TYR 45 -5.114 -3.894 -7.191 341 HD1 TYR 45 HD1 TYR 45 -6.565 -4.753 -4.838 342 HD2 TYR 45 HD2 TYR 45 -5.375 -0.803 -5.855 343 HE1 TYR 45 HE1 TYR 45 -8.322 -3.855 -3.407 344 HE2 TYR 45 HE2 TYR 45 -7.168 0.095 -4.462 345 HH TYR 45 HH TYR 45 -9.035 -0.409 -3.320 346 H ASP 46 HN ASP 46 -4.486 -5.578 -3.518 347 HA ASP 46 HA ASP 46 -5.154 -8.069 -5.035 348 1HB ASP 46 HB2 ASP 46 -3.468 -8.051 -3.070 349 2HB ASP 46 HB1 ASP 46 -4.887 -7.881 -2.043 350 H ASP 47 HN ASP 47 -7.201 -7.012 -5.671 351 HA ASP 47 HA ASP 47 -9.178 -6.273 -3.716 352 1HB ASP 47 HB2 ASP 47 -9.398 -5.510 -6.009 353 2HB ASP 47 HB1 ASP 47 -9.459 -7.170 -6.596 354 H ALA 48 HN ALA 48 -7.787 -9.168 -4.135 355 HA ALA 48 HA ALA 48 -10.133 -10.900 -4.080 356 1HB ALA 48 HB3 ALA 48 -7.622 -11.387 -4.803 357 2HB ALA 48 HB2 ALA 48 -7.466 -11.831 -3.106 358 3HB ALA 48 HB1 ALA 48 -8.634 -12.661 -4.129 359 H THR 49 HN THR 49 -8.099 -9.321 -1.738 360 HA THR 49 HA THR 49 -9.951 -10.220 0.396 361 HB THR 49 HB THR 49 -8.035 -10.866 1.881 362 HG1 THR 49 HG1 THR 49 -6.028 -10.609 1.076 363 1HG2 THR 49 HG23 THR 49 -9.069 -12.573 0.210 364 2HG2 THR 49 HG22 THR 49 -7.659 -12.245 -0.793 365 3HG2 THR 49 HG21 THR 49 -7.454 -12.936 0.812 366 H LYS 50 HN LYS 50 -9.113 -7.705 -1.088 367 HA LYS 50 HA LYS 50 -8.760 -5.450 -0.573 368 1HB LYS 50 HB2 LYS 50 -9.763 -6.371 2.134 369 2HB LYS 50 HB1 LYS 50 -9.655 -4.696 1.608 370 1HG LYS 50 HG2 LYS 50 -11.501 -4.863 0.276 371 2HG LYS 50 HG1 LYS 50 -11.082 -6.484 -0.266 372 1HD LYS 50 HD2 LYS 50 -13.147 -6.483 1.123 373 2HD LYS 50 HD1 LYS 50 -11.860 -7.423 1.872 374 1HE LYS 50 HE2 LYS 50 -11.564 -5.910 3.581 375 2HE LYS 50 HE1 LYS 50 -11.954 -4.529 2.564 376 1HZ LYS 50 HZ3 LYS 50 -14.283 -5.922 2.685 377 2HZ LYS 50 HZ2 LYS 50 -13.657 -6.081 4.255 378 3HZ LYS 50 HZ1 LYS 50 -13.902 -4.537 3.590 379 H THR 51 HN THR 51 -6.452 -6.411 -0.769 380 HA THR 51 HA THR 51 -4.935 -5.457 1.618 381 HB THR 51 HB THR 51 -4.673 -8.165 0.262 382 HG1 THR 51 HG1 THR 51 -5.066 -7.008 2.806 383 1HG2 THR 51 HG21 THR 51 -2.680 -6.828 2.135 384 2HG2 THR 51 HG23 THR 51 -2.616 -8.496 1.598 385 3HG2 THR 51 HG22 THR 51 -2.354 -7.194 0.447 386 H PHE 52 HN PHE 52 -3.706 -3.797 0.861 387 HA PHE 52 HA PHE 52 -3.017 -3.624 -1.967 388 1HB PHE 52 HB2 PHE 52 -3.034 -1.863 0.318 389 2HB PHE 52 HB1 PHE 52 -1.509 -1.742 -0.551 390 HD1 PHE 52 HD1 PHE 52 -1.523 -1.172 -3.011 391 HD2 PHE 52 HD2 PHE 52 -5.070 -1.144 -0.699 392 HE1 PHE 52 HE1 PHE 52 -2.679 0.103 -4.774 393 HE2 PHE 52 HE2 PHE 52 -6.176 0.242 -2.371 394 HZ PHE 52 HZ PHE 52 -4.970 0.904 -4.395 395 H THR 53 HN THR 53 -0.725 -3.358 -2.665 396 HA THR 53 HA THR 53 1.337 -4.392 -0.858 397 HB THR 53 HB THR 53 0.519 -5.999 -3.307 398 HG1 THR 53 HG1 THR 53 -0.818 -6.185 -1.456 399 1HG2 THR 53 HG21 THR 53 2.982 -5.879 -1.751 400 2HG2 THR 53 HG23 THR 53 2.186 -7.433 -1.522 401 3HG2 THR 53 HG22 THR 53 2.620 -6.897 -3.141 402 H VAL 54 HN VAL 54 3.294 -3.607 -1.401 403 HA VAL 54 HA VAL 54 3.691 -2.602 -4.185 404 HB VAL 54 HB VAL 54 3.024 -0.721 -2.628 405 1HG1 VAL 54 HG13 VAL 54 4.228 -1.772 -0.655 406 2HG1 VAL 54 HG12 VAL 54 5.734 -1.213 -1.373 407 3HG1 VAL 54 HG11 VAL 54 4.511 -0.051 -0.874 408 1HG2 VAL 54 HG21 VAL 54 5.782 -0.753 -3.877 409 2HG2 VAL 54 HG23 VAL 54 4.299 -0.109 -4.557 410 3HG2 VAL 54 HG22 VAL 54 5.069 0.702 -3.203 411 H THR 55 HN THR 55 5.865 -2.615 -4.855 412 HA THR 55 HA THR 55 7.851 -3.795 -2.974 413 HB THR 55 HB THR 55 7.242 -4.997 -5.710 414 HG1 THR 55 HG1 THR 55 5.668 -5.439 -4.147 415 1HG2 THR 55 HG23 THR 55 9.410 -5.335 -3.709 416 2HG2 THR 55 HG22 THR 55 8.609 -6.832 -4.178 417 3HG2 THR 55 HG21 THR 55 9.371 -5.822 -5.396 418 H GLU 56 HN GLU 56 9.561 -2.466 -3.060 419 HA GLU 56 HA GLU 56 10.010 -0.595 -5.200 420 1HB GLU 56 HB2 GLU 56 10.928 -0.830 -2.634 421 2HB GLU 56 HB1 GLU 56 12.348 -1.324 -3.545 422 1HG GLU 56 HG2 GLU 56 10.783 1.244 -4.006 423 2HG GLU 56 HG1 GLU 56 12.323 1.130 -3.160 Start of MODEL 60 Raw file had 423 H/Q atoms Entry Start of MODEL 60 1 1H MET 1 HT3 MET 1 -12.615 -0.039 1.144 2 2H MET 1 HT2 MET 1 -13.558 -1.435 1.359 3 3H MET 1 HT1 MET 1 -14.282 0.099 1.435 4 HA MET 1 HA MET 1 -13.672 0.449 3.543 5 1HB MET 1 HB2 MET 1 -14.484 -2.089 3.243 6 2HB MET 1 HB1 MET 1 -12.859 -2.402 3.838 7 1HG MET 1 HG2 MET 1 -13.492 -0.566 5.622 8 2HG MET 1 HG1 MET 1 -15.129 -0.969 5.178 9 1HE MET 1 HE3 MET 1 -15.362 -1.122 7.725 10 2HE MET 1 HE2 MET 1 -14.630 -2.360 8.747 11 3HE MET 1 HE1 MET 1 -13.640 -1.050 8.101 12 H THR 2 HN THR 2 -11.858 -1.103 5.135 13 HA THR 2 HA THR 2 -9.382 0.300 4.407 14 HB THR 2 HB THR 2 -9.788 -1.508 6.812 15 HG1 THR 2 HG1 THR 2 -10.432 1.225 6.326 16 1HG2 THR 2 HG22 THR 2 -7.545 -0.169 6.002 17 2HG2 THR 2 HG21 THR 2 -8.372 1.107 6.889 18 3HG2 THR 2 HG23 THR 2 -7.958 -0.401 7.697 19 OH TYR 3 OH TYR 3 -11.459 -0.222 -1.154 20 H TYR 3 HN TYR 3 -7.815 -0.618 3.233 21 HA TYR 3 HA TYR 3 -7.789 -3.587 2.965 22 1HB TYR 3 HB2 TYR 3 -6.066 -1.682 1.383 23 2HB TYR 3 HB1 TYR 3 -6.593 -3.305 0.947 24 HD1 TYR 3 HD1 TYR 3 -7.875 0.139 1.590 25 HD2 TYR 3 HD2 TYR 3 -8.609 -3.624 -0.255 26 HE1 TYR 3 HE1 TYR 3 -9.846 1.072 0.470 27 HE2 TYR 3 HE2 TYR 3 -10.581 -2.690 -1.373 28 HH TYR 3 HH TYR 3 -12.239 -0.581 -0.723 29 H LYS 4 HN LYS 4 -5.458 -4.476 2.689 30 HA LYS 4 HA LYS 4 -3.787 -3.363 4.923 31 1HB LYS 4 HB2 LYS 4 -4.983 -5.758 4.954 32 2HB LYS 4 HB1 LYS 4 -3.537 -6.200 4.060 33 1HG LYS 4 HG2 LYS 4 -2.293 -4.859 5.960 34 2HG LYS 4 HG1 LYS 4 -3.771 -5.154 6.868 35 1HD LYS 4 HD2 LYS 4 -3.342 -7.644 5.865 36 2HD LYS 4 HD1 LYS 4 -1.680 -7.076 5.984 37 1HE LYS 4 HE2 LYS 4 -2.100 -6.437 8.357 38 2HE LYS 4 HE1 LYS 4 -3.731 -7.081 8.222 39 1HZ LYS 4 HZ1 LYS 4 -1.947 -9.026 7.309 40 2HZ LYS 4 HZ3 LYS 4 -1.370 -8.453 8.800 41 3HZ LYS 4 HZ2 LYS 4 -2.946 -9.073 8.681 42 H LEU 5 HN LEU 5 -1.922 -2.516 4.212 43 HA LEU 5 HA LEU 5 -0.933 -3.243 1.534 44 1HB LEU 5 HB2 LEU 5 -0.902 -0.885 2.015 45 2HB LEU 5 HB1 LEU 5 -0.133 -1.138 3.573 46 HG LEU 5 HG LEU 5 1.942 -1.961 2.324 47 1HD1 LEU 5 HD11 LEU 5 0.777 -2.528 0.178 48 2HD1 LEU 5 HD13 LEU 5 0.466 -0.814 -0.067 49 3HD1 LEU 5 HD12 LEU 5 2.116 -1.417 -0.062 50 1HD2 LEU 5 HD22 LEU 5 1.591 0.396 3.169 51 2HD2 LEU 5 HD21 LEU 5 2.713 0.254 1.819 52 3HD2 LEU 5 HD23 LEU 5 1.071 0.822 1.542 53 H ILE 6 HN ILE 6 1.183 -4.005 1.153 54 HA ILE 6 HA ILE 6 2.616 -5.153 3.470 55 HB ILE 6 HB ILE 6 2.272 -6.531 0.796 56 1HG1 ILE 6 HG12 ILE 6 0.844 -6.858 3.451 57 2HG1 ILE 6 HG11 ILE 6 0.124 -6.569 1.872 58 1HG2 ILE 6 HG22 ILE 6 4.357 -6.972 2.261 59 2HG2 ILE 6 HG21 ILE 6 3.247 -7.697 3.416 60 3HG2 ILE 6 HG23 ILE 6 3.409 -8.378 1.801 61 1HD1 ILE 6 HD2 ILE 6 1.195 -8.813 1.166 62 2HD1 ILE 6 HD1 ILE 6 1.444 -9.097 2.886 63 3HD1 ILE 6 HD3 ILE 6 -0.184 -8.900 2.255 64 H LEU 7 HN LEU 7 4.346 -3.837 3.544 65 HA LEU 7 HA LEU 7 5.556 -2.757 1.123 66 1HB LEU 7 HB2 LEU 7 6.174 -2.572 4.053 67 2HB LEU 7 HB1 LEU 7 7.302 -1.949 2.855 68 HG LEU 7 HG LEU 7 4.457 -1.180 2.472 69 1HD1 LEU 7 HD11 LEU 7 6.160 -0.131 4.759 70 2HD1 LEU 7 HD13 LEU 7 4.685 0.641 4.186 71 3HD1 LEU 7 HD12 LEU 7 4.616 -0.965 4.902 72 1HD2 LEU 7 HD22 LEU 7 6.435 -0.409 1.087 73 2HD2 LEU 7 HD21 LEU 7 5.482 0.900 1.778 74 3HD2 LEU 7 HD23 LEU 7 7.017 0.448 2.511 75 H ASN 8 HN ASN 8 6.871 -3.893 -0.139 76 HA ASN 8 HA ASN 8 8.528 -6.037 1.111 77 1HB ASN 8 HB2 ASN 8 7.041 -5.786 -1.370 78 2HB ASN 8 HB1 ASN 8 8.709 -6.213 -1.690 79 1HD2 ASN 8 HD22 ASN 8 6.306 -9.084 -0.611 80 2HD2 ASN 8 HD21 ASN 8 5.881 -7.659 -1.418 81 H GLY 9 HN GLY 9 9.299 -3.366 1.472 82 1HA GLY 9 HA2 GLY 9 11.071 -2.272 -0.419 83 2HA GLY 9 HA1 GLY 9 11.257 -2.072 1.319 84 H LYS 10 HN LYS 10 13.158 -2.633 -0.980 85 HA LYS 10 HA LYS 10 14.236 -5.273 -0.616 86 1HB LYS 10 HB2 LYS 10 14.688 -3.718 -2.567 87 2HB LYS 10 HB1 LYS 10 15.752 -2.808 -1.500 88 1HG LYS 10 HG2 LYS 10 17.058 -4.894 -1.074 89 2HG LYS 10 HG1 LYS 10 16.027 -5.746 -2.218 90 1HD LYS 10 HD2 LYS 10 16.683 -4.002 -3.948 91 2HD LYS 10 HD1 LYS 10 17.876 -3.412 -2.796 92 1HE LYS 10 HE2 LYS 10 17.720 -6.272 -3.805 93 2HE LYS 10 HE1 LYS 10 18.837 -5.058 -4.415 94 1HZ LYS 10 HZ3 LYS 10 19.290 -4.905 -1.792 95 2HZ LYS 10 HZ2 LYS 10 18.899 -6.551 -1.941 96 3HZ LYS 10 HZ1 LYS 10 20.173 -5.896 -2.852 97 H THR 11 HN THR 11 14.449 -2.349 1.160 98 HA THR 11 HA THR 11 16.443 -3.607 2.988 99 HB THR 11 HB THR 11 16.964 -1.006 3.407 100 HG1 THR 11 HG1 THR 11 15.373 -0.338 1.956 101 1HG2 THR 11 HG22 THR 11 17.945 -2.866 1.257 102 2HG2 THR 11 HG21 THR 11 18.470 -1.186 1.217 103 3HG2 THR 11 HG23 THR 11 18.840 -2.191 2.615 104 H LEU 12 HN LEU 12 13.319 -2.678 2.650 105 HA LEU 12 HA LEU 12 12.989 -2.497 5.578 106 1HB LEU 12 HB2 LEU 12 13.386 -0.136 4.615 107 2HB LEU 12 HB1 LEU 12 11.784 -0.301 3.905 108 HG LEU 12 HG LEU 12 11.165 -1.069 6.393 109 1HD1 LEU 12 HD11 LEU 12 13.566 -0.848 7.126 110 2HD1 LEU 12 HD13 LEU 12 13.461 0.878 6.798 111 3HD1 LEU 12 HD12 LEU 12 12.461 0.159 8.056 112 1HD2 LEU 12 HD21 LEU 12 11.572 1.799 5.475 113 2HD2 LEU 12 HD23 LEU 12 10.132 0.819 5.220 114 3HD2 LEU 12 HD22 LEU 12 10.575 1.324 6.847 115 H LYS 13 HN LYS 13 11.648 -4.219 5.695 116 HA LYS 13 HA LYS 13 9.305 -4.326 3.863 117 1HB LYS 13 HB2 LYS 13 10.521 -6.373 5.725 118 2HB LYS 13 HB1 LYS 13 9.015 -6.636 4.855 119 1HG LYS 13 HG2 LYS 13 10.071 -6.685 2.773 120 2HG LYS 13 HG1 LYS 13 11.434 -5.721 3.328 121 1HD LYS 13 HD2 LYS 13 12.354 -7.571 4.557 122 2HD LYS 13 HD1 LYS 13 10.886 -8.520 4.352 123 1HE LYS 13 HE2 LYS 13 11.275 -8.488 1.872 124 2HE LYS 13 HE1 LYS 13 12.806 -7.671 2.159 125 1HZ LYS 13 HZ2 LYS 13 13.453 -9.577 3.563 126 2HZ LYS 13 HZ1 LYS 13 12.028 -10.373 3.094 127 3HZ LYS 13 HZ3 LYS 13 13.207 -9.989 1.934 128 H GLY 14 HN GLY 14 7.287 -3.900 4.581 129 1HA GLY 14 HA2 GLY 14 6.699 -4.049 7.471 130 2HA GLY 14 HA1 GLY 14 6.571 -2.452 6.744 131 H GLU 15 HN GLU 15 4.311 -2.680 7.485 132 HA GLU 15 HA GLU 15 2.543 -3.314 5.324 133 1HB GLU 15 HB2 GLU 15 1.346 -5.222 6.318 134 2HB GLU 15 HB1 GLU 15 3.028 -5.642 6.026 135 1HG GLU 15 HG2 GLU 15 3.257 -4.647 8.533 136 2HG GLU 15 HG1 GLU 15 1.600 -5.240 8.608 137 H THR 16 HN THR 16 0.761 -2.081 5.608 138 HA THR 16 HA THR 16 -0.225 -1.550 8.348 139 HB THR 16 HB THR 16 1.361 0.295 8.098 140 HG1 THR 16 HG1 THR 16 -1.316 0.993 7.409 141 1HG2 THR 16 HG21 THR 16 0.793 0.076 5.351 142 2HG2 THR 16 HG23 THR 16 0.021 1.582 5.837 143 3HG2 THR 16 HG22 THR 16 1.746 1.351 6.104 144 H THR 17 HN THR 17 -2.355 -0.646 8.385 145 HA THR 17 HA THR 17 -3.849 -1.158 5.848 146 HB THR 17 HB THR 17 -5.707 -1.821 7.183 147 HG1 THR 17 HG1 THR 17 -4.463 -0.737 9.465 148 1HG2 THR 17 HG21 THR 17 -3.310 -3.040 7.758 149 2HG2 THR 17 HG23 THR 17 -3.764 -2.432 9.346 150 3HG2 THR 17 HG22 THR 17 -4.840 -3.526 8.482 151 H THR 18 HN THR 18 -5.132 0.404 4.960 152 HA THR 18 HA THR 18 -5.314 3.022 6.411 153 HB THR 18 HB THR 18 -3.657 2.877 4.357 154 HG1 THR 18 HG1 THR 18 -4.211 4.818 5.249 155 1HG2 THR 18 HG22 THR 18 -5.663 1.866 2.942 156 2HG2 THR 18 HG21 THR 18 -6.208 3.539 2.887 157 3HG2 THR 18 HG23 THR 18 -4.640 3.100 2.216 158 H GLU 19 HN GLU 19 -7.257 4.100 6.257 159 HA GLU 19 HA GLU 19 -9.538 2.475 5.359 160 1HB GLU 19 HB2 GLU 19 -9.414 5.207 6.663 161 2HB GLU 19 HB1 GLU 19 -10.896 4.312 6.347 162 1HG GLU 19 HG2 GLU 19 -10.154 2.486 7.793 163 2HG GLU 19 HG1 GLU 19 -8.593 3.267 8.030 164 H ALA 20 HN ALA 20 -10.256 2.564 3.338 165 HA ALA 20 HA ALA 20 -10.318 5.197 1.948 166 1HB ALA 20 HB1 ALA 20 -8.643 2.922 1.256 167 2HB ALA 20 HB3 ALA 20 -9.721 3.355 -0.067 168 3HB ALA 20 HB2 ALA 20 -8.623 4.557 0.604 169 H VAL 21 HN VAL 21 -12.064 5.463 0.588 170 HA VAL 21 HA VAL 21 -14.255 3.551 0.939 171 HB VAL 21 HB VAL 21 -14.988 5.785 0.974 172 1HG1 VAL 21 HG11 VAL 21 -13.107 6.137 -1.371 173 2HG1 VAL 21 HG13 VAL 21 -14.327 7.343 -0.972 174 3HG1 VAL 21 HG12 VAL 21 -13.061 6.953 0.188 175 1HG2 VAL 21 HG22 VAL 21 -16.149 4.178 -0.737 176 2HG2 VAL 21 HG21 VAL 21 -16.530 5.895 -0.805 177 3HG2 VAL 21 HG23 VAL 21 -15.394 5.200 -1.957 178 H ASP 22 HN ASP 22 -11.953 4.397 -1.533 179 HA ASP 22 HA ASP 22 -13.000 2.154 -3.190 180 1HB ASP 22 HB2 ASP 22 -12.808 3.481 -5.233 181 2HB ASP 22 HB1 ASP 22 -13.896 4.289 -4.108 182 H ALA 23 HN ALA 23 -11.351 1.859 -5.120 183 HA ALA 23 HA ALA 23 -8.799 1.273 -3.849 184 1HB ALA 23 HB1 ALA 23 -10.001 0.810 -6.552 185 2HB ALA 23 HB3 ALA 23 -8.260 0.640 -6.353 186 3HB ALA 23 HB2 ALA 23 -9.356 -0.360 -5.405 187 H ALA 24 HN ALA 24 -10.032 3.747 -5.977 188 HA ALA 24 HA ALA 24 -7.587 4.747 -7.015 189 1HB ALA 24 HB1 ALA 24 -10.276 5.500 -7.101 190 2HB ALA 24 HB3 ALA 24 -9.459 6.872 -6.357 191 3HB ALA 24 HB2 ALA 24 -8.944 6.292 -7.938 192 H THR 25 HN THR 25 -9.415 6.024 -4.235 193 HA THR 25 HA THR 25 -7.334 7.752 -3.336 194 HB THR 25 HB THR 25 -9.549 8.131 -2.435 195 HG1 THR 25 HG1 THR 25 -8.656 8.492 -0.548 196 1HG2 THR 25 HG23 THR 25 -9.496 5.219 -2.124 197 2HG2 THR 25 HG22 THR 25 -9.969 6.024 -0.633 198 3HG2 THR 25 HG21 THR 25 -10.884 6.299 -2.110 199 H ALA 26 HN ALA 26 -7.940 4.345 -2.806 200 HA ALA 26 HA ALA 26 -6.095 4.026 -0.612 201 1HB ALA 26 HB3 ALA 26 -7.895 2.388 -1.249 202 2HB ALA 26 HB2 ALA 26 -6.909 1.934 -2.634 203 3HB ALA 26 HB1 ALA 26 -6.313 1.655 -1.000 204 H GLU 27 HN GLU 27 -5.764 3.927 -4.105 205 HA GLU 27 HA GLU 27 -3.141 2.808 -4.224 206 1HB GLU 27 HB2 GLU 27 -4.783 4.533 -6.055 207 2HB GLU 27 HB1 GLU 27 -3.101 4.207 -6.441 208 1HG GLU 27 HG2 GLU 27 -3.576 1.749 -6.243 209 2HG GLU 27 HG1 GLU 27 -5.275 2.138 -5.993 210 H LYS 28 HN LYS 28 -4.208 6.206 -4.225 211 HA LYS 28 HA LYS 28 -1.446 7.160 -4.110 212 1HB LYS 28 HB2 LYS 28 -2.331 9.318 -4.322 213 2HB LYS 28 HB1 LYS 28 -3.504 8.328 -5.182 214 1HG LYS 28 HG2 LYS 28 -4.737 8.161 -2.904 215 2HG LYS 28 HG1 LYS 28 -3.730 9.520 -2.413 216 1HD LYS 28 HD2 LYS 28 -4.598 10.375 -4.864 217 2HD LYS 28 HD1 LYS 28 -5.990 9.444 -4.322 218 1HE LYS 28 HE2 LYS 28 -5.873 10.704 -2.131 219 2HE LYS 28 HE1 LYS 28 -4.638 11.728 -2.853 220 1HZ LYS 28 HZ1 LYS 28 -6.410 12.005 -4.707 221 2HZ LYS 28 HZ3 LYS 28 -7.495 11.536 -3.487 222 3HZ LYS 28 HZ2 LYS 28 -6.524 12.914 -3.277 223 H VAL 29 HN VAL 29 -4.061 6.651 -1.814 224 HA VAL 29 HA VAL 29 -3.004 8.157 0.357 225 HB VAL 29 HB VAL 29 -4.728 5.695 0.232 226 1HG1 VAL 29 HG11 VAL 29 -3.479 7.047 2.610 227 2HG1 VAL 29 HG13 VAL 29 -5.084 6.337 2.757 228 3HG1 VAL 29 HG12 VAL 29 -3.711 5.327 2.314 229 1HG2 VAL 29 HG23 VAL 29 -5.366 8.236 -0.288 230 2HG2 VAL 29 HG22 VAL 29 -6.482 7.179 0.572 231 3HG2 VAL 29 HG21 VAL 29 -5.478 8.315 1.467 232 H PHE 30 HN PHE 30 -2.681 4.645 -0.215 233 HA PHE 30 HA PHE 30 -0.766 4.193 1.824 234 1HB PHE 30 HB2 PHE 30 -1.485 2.790 -0.723 235 2HB PHE 30 HB1 PHE 30 0.000 2.316 0.093 236 HD1 PHE 30 HD1 PHE 30 -0.371 2.150 2.822 237 HD2 PHE 30 HD2 PHE 30 -3.363 1.519 -0.150 238 HE1 PHE 30 HE1 PHE 30 -1.687 0.827 4.417 239 HE2 PHE 30 HE2 PHE 30 -4.654 0.177 1.448 240 HZ PHE 30 HZ PHE 30 -3.814 -0.186 3.724 241 H LYS 31 HN LYS 31 -0.300 5.002 -1.599 242 HA LYS 31 HA LYS 31 2.507 4.964 -1.694 243 1HB LYS 31 HB2 LYS 31 0.900 5.424 -3.610 244 2HB LYS 31 HB1 LYS 31 0.810 7.082 -3.024 245 1HG LYS 31 HG2 LYS 31 3.527 6.654 -3.058 246 2HG LYS 31 HG1 LYS 31 3.002 5.710 -4.448 247 1HD LYS 31 HD2 LYS 31 1.657 7.754 -5.174 248 2HD LYS 31 HD1 LYS 31 2.507 8.653 -3.922 249 1HE LYS 31 HE2 LYS 31 3.683 7.283 -6.351 250 2HE LYS 31 HE1 LYS 31 3.779 8.986 -5.919 251 1HZ LYS 31 HZ3 LYS 31 4.962 6.824 -4.277 252 2HZ LYS 31 HZ2 LYS 31 5.822 7.662 -5.478 253 3HZ LYS 31 HZ1 LYS 31 5.216 8.497 -4.129 254 H GLN 32 HN GLN 32 0.346 7.325 -0.300 255 HA GLN 32 HA GLN 32 2.320 9.380 0.123 256 1HB GLN 32 HB2 GLN 32 -0.232 9.605 0.242 257 2HB GLN 32 HB1 GLN 32 -0.112 8.905 1.852 258 1HG GLN 32 HG2 GLN 32 1.651 10.725 2.330 259 2HG GLN 32 HG1 GLN 32 1.082 11.500 0.853 260 1HE2 GLN 32 HE22 GLN 32 -1.349 11.406 4.155 261 2HE2 GLN 32 HE21 GLN 32 -0.008 10.370 4.066 262 OH TYR 33 OH TYR 33 4.680 2.695 8.289 263 H TYR 33 HN TYR 33 1.338 6.525 1.873 264 HA TYR 33 HA TYR 33 2.784 7.168 4.306 265 1HB TYR 33 HB2 TYR 33 0.933 5.572 4.372 266 2HB TYR 33 HB1 TYR 33 1.762 4.529 3.222 267 HD1 TYR 33 HD1 TYR 33 3.940 3.452 3.888 268 HD2 TYR 33 HD2 TYR 33 1.509 5.513 6.704 269 HE1 TYR 33 HE1 TYR 33 5.139 2.358 5.722 270 HE2 TYR 33 HE2 TYR 33 2.708 4.416 8.541 271 HH TYR 33 HH TYR 33 4.488 3.175 9.097 272 H ALA 34 HN ALA 34 3.372 4.818 1.712 273 HA ALA 34 HA ALA 34 5.919 3.944 2.447 274 1HB ALA 34 HB1 ALA 34 4.597 4.368 -0.214 275 2HB ALA 34 HB3 ALA 34 6.283 3.869 -0.150 276 3HB ALA 34 HB2 ALA 34 5.040 2.859 0.577 277 H ASN 35 HN ASN 35 5.017 6.910 0.768 278 HA ASN 35 HA ASN 35 7.531 7.862 -0.016 279 1HB ASN 35 HB2 ASN 35 5.502 9.079 -0.567 280 2HB ASN 35 HB1 ASN 35 5.196 9.409 1.136 281 1HD2 ASN 35 HD22 ASN 35 7.034 12.386 0.944 282 2HD2 ASN 35 HD21 ASN 35 5.684 11.555 1.548 283 H ASP 36 HN ASP 36 6.032 7.942 3.175 284 HA ASP 36 HA ASP 36 8.161 9.492 4.394 285 1HB ASP 36 HB2 ASP 36 5.745 8.039 5.320 286 2HB ASP 36 HB1 ASP 36 7.032 8.237 6.506 287 H ASN 37 HN ASN 37 8.616 6.803 2.911 288 HA ASN 37 HA ASN 37 10.559 5.765 4.919 289 1HB ASN 37 HB2 ASN 37 8.501 4.165 3.394 290 2HB ASN 37 HB1 ASN 37 9.957 3.422 4.052 291 1HD2 ASN 37 HD22 ASN 37 6.876 4.300 6.508 292 2HD2 ASN 37 HD21 ASN 37 6.780 4.515 4.827 293 H GLY 38 HN GLY 38 9.541 6.070 1.580 294 1HA GLY 38 HA2 GLY 38 11.153 6.615 -0.167 295 2HA GLY 38 HA1 GLY 38 12.390 5.769 0.757 296 H VAL 39 HN VAL 39 9.206 4.433 0.320 297 HA VAL 39 HA VAL 39 10.400 2.269 -1.361 298 HB VAL 39 HB VAL 39 7.928 2.283 0.390 299 1HG1 VAL 39 HG12 VAL 39 8.956 0.415 -1.688 300 2HG1 VAL 39 HG11 VAL 39 8.404 -0.323 -0.188 301 3HG1 VAL 39 HG13 VAL 39 7.305 0.675 -1.134 302 1HG2 VAL 39 HG22 VAL 39 10.102 2.230 1.599 303 2HG2 VAL 39 HG21 VAL 39 9.238 0.704 1.758 304 3HG2 VAL 39 HG23 VAL 39 10.590 0.838 0.638 305 H ASP 40 HN ASP 40 10.156 3.430 -3.348 306 HA ASP 40 HA ASP 40 7.335 3.439 -4.334 307 1HB ASP 40 HB2 ASP 40 9.383 5.639 -4.678 308 2HB ASP 40 HB1 ASP 40 7.898 5.536 -5.621 309 H GLY 41 HN GLY 41 7.162 2.181 -6.057 310 1HA GLY 41 HA2 GLY 41 8.942 2.324 -8.314 311 2HA GLY 41 HA1 GLY 41 9.281 0.875 -7.369 312 H GLU 42 HN GLU 42 7.717 -0.758 -7.245 313 HA GLU 42 HA GLU 42 5.611 -0.601 -9.363 314 1HB GLU 42 HB2 GLU 42 6.867 -2.998 -8.023 315 2HB GLU 42 HB1 GLU 42 5.661 -3.067 -9.300 316 1HG GLU 42 HG2 GLU 42 8.292 -1.601 -9.635 317 2HG GLU 42 HG1 GLU 42 8.100 -3.300 -10.058 318 CH2 TRP 43 CH2 TRP 43 2.117 2.383 -2.133 319 H TRP 43 HN TRP 43 3.493 -0.939 -8.839 320 HA TRP 43 HA TRP 43 2.884 -1.462 -5.950 321 1HB TRP 43 HB2 TRP 43 1.776 0.569 -7.862 322 2HB TRP 43 HB1 TRP 43 0.825 0.030 -6.487 323 HD1 TRP 43 HD1 TRP 43 4.347 1.429 -7.252 324 HE1 TRP 43 HE1 TRP 43 5.025 2.800 -5.224 325 HE3 TRP 43 HE3 TRP 43 0.445 0.464 -4.321 326 HZ2 TRP 43 HZ2 TRP 43 3.987 3.343 -2.501 327 HZ3 TRP 43 HZ3 TRP 43 0.273 1.318 -2.038 328 HH2 TRP 43 HH2 TRP 43 2.040 2.753 -1.121 329 H THR 44 HN THR 44 1.370 -2.951 -5.513 330 HA THR 44 HA THR 44 -0.200 -4.063 -7.813 331 HB THR 44 HB THR 44 0.055 -6.319 -6.557 332 HG1 THR 44 HG1 THR 44 0.795 -5.118 -4.663 333 1HG2 THR 44 HG21 THR 44 2.067 -4.845 -8.141 334 2HG2 THR 44 HG23 THR 44 2.768 -6.078 -7.098 335 3HG2 THR 44 HG22 THR 44 1.553 -6.523 -8.293 336 OH TYR 45 OH TYR 45 -8.850 -1.867 -3.081 337 H TYR 45 HN TYR 45 -2.219 -4.982 -7.298 338 HA TYR 45 HA TYR 45 -3.366 -4.180 -4.645 339 1HB TYR 45 HB2 TYR 45 -3.979 -2.738 -6.714 340 2HB TYR 45 HB1 TYR 45 -4.913 -4.135 -7.251 341 HD1 TYR 45 HD1 TYR 45 -6.364 -5.134 -4.941 342 HD2 TYR 45 HD2 TYR 45 -5.352 -1.107 -5.830 343 HE1 TYR 45 HE1 TYR 45 -8.170 -4.365 -3.495 344 HE2 TYR 45 HE2 TYR 45 -7.203 -0.341 -4.434 345 HH TYR 45 HH TYR 45 -9.628 -1.779 -3.637 346 H ASP 46 HN ASP 46 -4.277 -5.850 -3.602 347 HA ASP 46 HA ASP 46 -4.809 -8.360 -5.132 348 1HB ASP 46 HB2 ASP 46 -3.245 -8.221 -3.044 349 2HB ASP 46 HB1 ASP 46 -4.749 -8.177 -2.133 350 H ASP 47 HN ASP 47 -6.830 -7.188 -5.854 351 HA ASP 47 HA ASP 47 -8.923 -6.598 -3.978 352 1HB ASP 47 HB2 ASP 47 -8.774 -5.829 -6.400 353 2HB ASP 47 HB1 ASP 47 -9.322 -7.441 -6.853 354 H ALA 48 HN ALA 48 -7.502 -9.453 -4.438 355 HA ALA 48 HA ALA 48 -9.922 -11.128 -4.550 356 1HB ALA 48 HB3 ALA 48 -7.348 -11.552 -5.357 357 2HB ALA 48 HB2 ALA 48 -7.357 -12.382 -3.804 358 3HB ALA 48 HB1 ALA 48 -8.510 -12.840 -5.054 359 H THR 49 HN THR 49 -7.997 -9.597 -2.173 360 HA THR 49 HA THR 49 -9.602 -10.889 -0.056 361 HB THR 49 HB THR 49 -7.495 -11.429 1.278 362 HG1 THR 49 HG1 THR 49 -5.806 -11.605 -0.659 363 1HG2 THR 49 HG21 THR 49 -8.700 -13.132 -0.298 364 2HG2 THR 49 HG23 THR 49 -7.398 -12.780 -1.431 365 3HG2 THR 49 HG22 THR 49 -7.031 -13.481 0.142 366 H LYS 50 HN LYS 50 -8.796 -8.157 -1.341 367 HA LYS 50 HA LYS 50 -8.626 -5.946 -0.566 368 1HB LYS 50 HB2 LYS 50 -9.394 -7.026 2.148 369 2HB LYS 50 HB1 LYS 50 -9.725 -5.432 1.478 370 1HG LYS 50 HG2 LYS 50 -11.150 -6.523 -0.280 371 2HG LYS 50 HG1 LYS 50 -10.898 -8.068 0.524 372 1HD LYS 50 HD2 LYS 50 -11.684 -6.531 2.637 373 2HD LYS 50 HD1 LYS 50 -12.592 -5.773 1.333 374 1HE LYS 50 HE2 LYS 50 -12.693 -8.643 2.269 375 2HE LYS 50 HE1 LYS 50 -14.023 -7.506 2.087 376 1HZ LYS 50 HZ1 LYS 50 -12.872 -7.705 -0.402 377 2HZ LYS 50 HZ3 LYS 50 -12.925 -9.297 0.187 378 3HZ LYS 50 HZ2 LYS 50 -14.350 -8.376 0.100 379 H THR 51 HN THR 51 -6.250 -6.736 -0.864 380 HA THR 51 HA THR 51 -4.786 -5.863 1.572 381 HB THR 51 HB THR 51 -4.259 -8.501 0.119 382 HG1 THR 51 HG1 THR 51 -5.161 -7.628 2.662 383 1HG2 THR 51 HG21 THR 51 -2.314 -6.914 1.349 384 2HG2 THR 51 HG23 THR 51 -2.877 -7.946 2.654 385 3HG2 THR 51 HG22 THR 51 -2.236 -8.659 1.181 386 H PHE 52 HN PHE 52 -3.585 -4.175 0.842 387 HA PHE 52 HA PHE 52 -2.860 -3.958 -1.979 388 1HB PHE 52 HB2 PHE 52 -2.939 -2.220 0.336 389 2HB PHE 52 HB1 PHE 52 -1.435 -2.036 -0.554 390 HD1 PHE 52 HD1 PHE 52 -1.479 -1.350 -2.966 391 HD2 PHE 52 HD2 PHE 52 -5.040 -1.629 -0.684 392 HE1 PHE 52 HE1 PHE 52 -2.705 -0.077 -4.688 393 HE2 PHE 52 HE2 PHE 52 -6.222 -0.273 -2.320 394 HZ PHE 52 HZ PHE 52 -5.043 0.554 -4.299 395 H THR 53 HN THR 53 -0.555 -3.591 -2.621 396 HA THR 53 HA THR 53 1.518 -4.548 -0.795 397 HB THR 53 HB THR 53 0.762 -6.222 -3.219 398 HG1 THR 53 HG1 THR 53 -0.557 -6.610 -1.472 399 1HG2 THR 53 HG22 THR 53 3.200 -6.019 -1.564 400 2HG2 THR 53 HG21 THR 53 2.497 -7.634 -1.568 401 3HG2 THR 53 HG23 THR 53 2.967 -6.874 -3.085 402 H VAL 54 HN VAL 54 3.458 -3.707 -1.339 403 HA VAL 54 HA VAL 54 3.836 -2.714 -4.133 404 HB VAL 54 HB VAL 54 3.102 -0.845 -2.590 405 1HG1 VAL 54 HG12 VAL 54 4.343 -1.876 -0.620 406 2HG1 VAL 54 HG11 VAL 54 5.821 -1.229 -1.322 407 3HG1 VAL 54 HG13 VAL 54 4.533 -0.141 -0.815 408 1HG2 VAL 54 HG23 VAL 54 5.868 -0.793 -3.820 409 2HG2 VAL 54 HG22 VAL 54 4.371 -0.198 -4.515 410 3HG2 VAL 54 HG21 VAL 54 5.103 0.642 -3.157 411 H THR 55 HN THR 55 6.029 -2.649 -4.777 412 HA THR 55 HA THR 55 8.016 -3.769 -2.863 413 HB THR 55 HB THR 55 7.574 -4.938 -5.644 414 HG1 THR 55 HG1 THR 55 6.008 -5.863 -4.545 415 1HG2 THR 55 HG23 THR 55 9.649 -5.226 -3.576 416 2HG2 THR 55 HG22 THR 55 8.847 -6.752 -3.941 417 3HG2 THR 55 HG21 THR 55 9.636 -5.843 -5.221 418 H GLU 56 HN GLU 56 9.706 -2.429 -2.897 419 HA GLU 56 HA GLU 56 10.128 -0.427 -4.886 420 1HB GLU 56 HB2 GLU 56 11.198 -0.993 -2.403 421 2HB GLU 56 HB1 GLU 56 12.557 -1.284 -3.483 422 1HG GLU 56 HG2 GLU 56 10.864 1.238 -3.405 423 2HG GLU 56 HG1 GLU 56 12.511 1.085 -2.801 No H/Q in entry = 423
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