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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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12594 |
1t50 ![]() ![]() |
cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ASP 1 1H ASP 1 -14.726 -11.222 -10.633 2 HA ASP 1 HA ASP 1 -14.328 -11.198 -8.338 3 2HB ASP 1 2HB ASP 1 -12.283 -12.678 -8.153 4 HD2 ASP 1 HD2 ASP 1 -13.768 -15.467 -9.584 5 H GLN 2 H GLN 2 -12.159 -9.322 -10.370 6 HA GLN 2 HA GLN 2 -10.639 -7.817 -9.997 7 2HB GLN 2 2HB GLN 2 -11.141 -7.773 -7.015 8 2HG GLN 2 2HG GLN 2 -10.750 -5.609 -9.138 9 1HE2 GLN 2 1HE2 GLN 2 -10.423 -3.524 -8.285 10 2HE2 GLN 2 2HE2 GLN 2 -11.113 -3.029 -6.776 11 H ASN 3 H ASN 3 -8.377 -7.615 -9.346 12 HA ASN 3 HA ASN 3 -7.338 -10.091 -8.315 13 2HB ASN 3 2HB ASN 3 -6.149 -9.199 -10.231 14 1HD2 ASN 3 1HD2 ASN 3 -4.766 -6.927 -7.990 15 H CYS 4 H CYS 4 -8.724 -8.967 -6.237 16 HA CYS 4 HA CYS 4 -8.820 -7.745 -4.419 17 2HB CYS 4 2HB CYS 4 -6.017 -8.517 -4.555 18 H ASP 5 H ASP 5 -8.700 -5.453 -3.670 19 HA ASP 5 HA ASP 5 -8.237 -3.714 -5.924 20 2HB ASP 5 2HB ASP 5 -9.299 -2.914 -3.187 21 HD2 ASP 5 HD2 ASP 5 -11.009 -0.788 -5.988 22 H ILE 6 H ILE 6 -6.169 -2.823 -6.051 23 HA ILE 6 HA ILE 6 -4.327 -2.824 -3.981 24 HB ILE 6 HB ILE 6 -3.834 -2.648 -6.388 25 1HG2 ILE 6 1HG2 ILE 6 -5.520 -1.091 -7.109 26 2HG2 ILE 6 2HG2 ILE 6 -4.849 0.188 -6.069 27 3HG2 ILE 6 3HG2 ILE 6 -3.914 -0.409 -7.461 28 1HD1 ILE 6 1HD1 ILE 6 -3.329 0.540 -4.553 29 2HD1 ILE 6 2HD1 ILE 6 -1.554 0.445 -4.630 30 3HD1 ILE 6 3HD1 ILE 6 -2.499 0.658 -6.123 31 H GLY 7 H GLY 7 -6.970 -0.592 -4.777 32 1HA GLY 7 1HA GLY 7 -5.795 1.512 -3.112 33 2HA GLY 7 2HA GLY 7 -7.138 1.663 -4.227 34 H ASN 8 H ASN 8 -6.685 -0.899 -1.725 35 HA ASN 8 HA ASN 8 -9.319 -0.401 -0.805 36 2HB ASN 8 2HB ASN 8 -7.097 -2.261 0.189 37 1HD2 ASN 8 1HD2 ASN 8 -7.600 -3.709 1.766 38 H ILE 9 H ILE 9 -5.956 -0.300 0.634 39 HA ILE 9 HA ILE 9 -7.157 0.765 3.071 40 HB ILE 9 HB ILE 9 -5.916 -1.267 3.328 41 1HG2 ILE 9 1HG2 ILE 9 -3.742 0.196 1.840 42 2HG2 ILE 9 2HG2 ILE 9 -3.383 -1.187 2.901 43 3HG2 ILE 9 3HG2 ILE 9 -4.465 -1.395 1.502 44 1HD1 ILE 9 1HD1 ILE 9 -6.657 1.273 5.180 45 2HD1 ILE 9 2HD1 ILE 9 -6.808 -0.492 5.348 46 3HD1 ILE 9 3HD1 ILE 9 -5.799 0.427 6.490 47 H THR 10 H THR 10 -5.006 1.564 0.374 48 HA THR 10 HA THR 10 -3.467 3.494 1.736 49 HB THR 10 HB THR 10 -3.023 4.143 -0.779 50 HG1 THR 10 HG1 THR 10 -3.937 2.448 -2.173 51 1HG2 THR 10 1HG2 THR 10 -2.673 1.192 -0.055 52 2HG2 THR 10 2HG2 THR 10 -1.675 2.152 -1.173 53 3HG2 THR 10 3HG2 THR 10 -1.612 2.473 0.577 54 H SER 11 H SER 11 -6.550 3.661 -0.085 55 HA SER 11 HA SER 11 -6.535 6.313 -0.632 56 2HB SER 11 2HB SER 11 -8.886 4.520 0.111 57 HG SER 11 HG SER 11 -10.146 6.050 -1.121 58 H GLN 12 H GLN 12 -7.220 4.632 2.441 59 HA GLN 12 HA GLN 12 -8.594 6.759 3.623 60 2HB GLN 12 2HB GLN 12 -7.058 4.530 5.025 61 2HG GLN 12 2HG GLN 12 -9.425 6.297 5.779 62 1HE2 GLN 12 1HE2 GLN 12 -10.813 4.422 5.714 63 2HE2 GLN 12 2HE2 GLN 12 -10.823 3.297 7.031 64 H CYS 13 H CYS 13 -5.143 5.803 3.451 65 HA CYS 13 HA CYS 13 -4.430 7.700 5.488 66 2HB CYS 13 2HB CYS 13 -2.121 6.915 5.044 67 H GLN 14 H GLN 14 -4.642 7.413 1.961 68 HA GLN 14 HA GLN 14 -2.595 9.112 1.270 69 2HB GLN 14 2HB GLN 14 -3.993 9.392 -0.893 70 2HG GLN 14 2HG GLN 14 -3.989 6.630 -1.012 71 1HE2 GLN 14 1HE2 GLN 14 -3.108 6.528 -2.921 72 2HE2 GLN 14 2HE2 GLN 14 -1.618 7.251 -3.431 73 H MET 15 H MET 15 -6.123 9.793 1.774 74 HA MET 15 HA MET 15 -5.866 12.483 1.045 75 2HB MET 15 2HB MET 15 -8.193 12.613 2.130 76 2HG MET 15 2HG MET 15 -7.698 10.206 0.309 77 1HE MET 15 1HE MET 15 -9.660 9.268 -1.102 78 2HE MET 15 2HE MET 15 -11.275 10.013 -1.182 79 3HE MET 15 3HE MET 15 -9.857 10.894 -1.799 80 H GLN 16 H GLN 16 -5.470 10.705 4.102 81 HA GLN 16 HA GLN 16 -6.148 12.919 5.709 82 2HB GLN 16 2HB GLN 16 -5.049 11.337 7.520 83 2HG GLN 16 2HG GLN 16 -7.438 10.336 5.903 84 1HE2 GLN 16 1HE2 GLN 16 -6.562 8.273 6.709 85 2HE2 GLN 16 2HE2 GLN 16 -6.901 7.771 8.332 86 H HIS 17 H HIS 17 -3.026 11.228 4.914 87 HA HIS 17 HA HIS 17 -1.603 13.611 5.739 88 2HB HIS 17 2HB HIS 17 -1.585 12.671 7.841 89 HD1 HIS 17 HD1 HIS 17 -2.262 10.799 9.389 90 HD2 HIS 17 HD2 HIS 17 -1.289 9.433 5.544 91 HE1 HIS 17 HE1 HIS 17 -2.856 8.319 9.340 92 H LYS 18 H LYS 18 -1.610 13.274 3.219 93 HA LYS 18 HA LYS 18 0.935 12.093 2.582 94 2HB LYS 18 2HB LYS 18 -1.040 11.092 0.683 95 2HG LYS 18 2HG LYS 18 0.216 8.968 1.159 96 2HD LYS 18 2HD LYS 18 1.273 11.413 0.067 97 2HE LYS 18 2HE LYS 18 2.886 11.171 2.067 98 1HZ LYS 18 1HZ LYS 18 3.354 8.641 0.653 99 2HZ LYS 18 2HZ LYS 18 4.640 9.383 1.321 100 H ASN 19 H ASN 19 1.657 14.155 2.003 101 HA ASN 19 HA ASN 19 0.351 15.858 0.300 102 2HB ASN 19 2HB ASN 19 2.704 16.627 -0.319 103 1HD2 ASN 19 1HD2 ASN 19 3.547 15.260 2.687 104 H CYS 20 H CYS 20 -0.198 15.630 -1.893 105 HA CYS 20 HA CYS 20 -0.472 14.658 -3.844 106 2HB CYS 20 2HB CYS 20 2.258 14.720 -3.612 107 H GLU 21 H GLU 21 -1.995 13.047 -4.025 108 HA GLU 21 HA GLU 21 -1.862 10.965 -2.042 109 2HB GLU 21 2HB GLU 21 -4.234 10.489 -2.925 110 2HG GLU 21 2HG GLU 21 -3.671 11.961 -0.913 111 HE2 GLU 21 HE2 GLU 21 -2.600 13.707 -0.506 112 H ASP 22 H ASP 22 0.118 10.127 -3.397 113 HA ASP 22 HA ASP 22 -0.908 8.264 -5.357 114 2HB ASP 22 2HB ASP 22 0.833 8.858 -6.982 115 HD2 ASP 22 HD2 ASP 22 -0.706 12.521 -6.716 116 H ALA 23 H ALA 23 0.266 6.274 -5.274 117 HA ALA 23 HA ALA 23 2.338 6.011 -3.314 118 1HB ALA 23 1HB ALA 23 2.332 3.655 -4.077 119 2HB ALA 23 2HB ALA 23 0.687 4.234 -3.724 120 3HB ALA 23 3HB ALA 23 1.240 4.095 -5.410 121 H ASN 24 H ASN 24 4.457 4.798 -4.061 122 HA ASN 24 HA ASN 24 6.267 4.715 -5.266 123 2HB ASN 24 2HB ASN 24 4.813 3.267 -6.672 124 1HD2 ASN 24 1HD2 ASN 24 2.691 3.507 -7.013 125 H GLY 25 H GLY 25 5.362 7.422 -4.600 126 1HA GLY 25 1HA GLY 25 6.766 8.915 -6.671 127 2HA GLY 25 2HA GLY 25 5.086 9.345 -6.410 128 H CYS 26 H CYS 26 4.522 9.462 -3.851 129 HA CYS 26 HA CYS 26 6.636 11.116 -2.694 130 2HB CYS 26 2HB CYS 26 4.898 12.132 -1.328 131 H ASP 27 H ASP 27 6.782 8.168 -2.666 132 HA ASP 27 HA ASP 27 4.955 7.176 -0.803 133 2HB ASP 27 2HB ASP 27 7.440 5.637 -1.551 134 HD2 ASP 27 HD2 ASP 27 4.276 3.440 -2.142 135 H THR 28 H THR 28 5.184 7.372 1.430 136 HA THR 28 HA THR 28 7.659 6.652 2.678 137 HB THR 28 HB THR 28 6.810 9.538 2.353 138 HG1 THR 28 HG1 THR 28 8.670 8.623 1.251 139 1HG2 THR 28 1HG2 THR 28 8.249 8.333 4.773 140 2HG2 THR 28 2HG2 THR 28 8.335 10.055 4.330 141 3HG2 THR 28 3HG2 THR 28 6.777 9.334 4.802 142 H ILE 29 H ILE 29 4.680 8.616 3.366 143 HA ILE 29 HA ILE 29 4.311 7.172 5.815 144 HB ILE 29 HB ILE 29 3.067 9.473 4.420 145 1HG2 ILE 29 1HG2 ILE 29 1.570 7.684 6.339 146 2HG2 ILE 29 2HG2 ILE 29 1.177 9.407 6.125 147 3HG2 ILE 29 3HG2 ILE 29 1.058 8.290 4.745 148 1HD1 ILE 29 1HD1 ILE 29 4.208 9.316 8.513 149 2HD1 ILE 29 2HD1 ILE 29 2.489 9.179 8.074 150 3HD1 ILE 29 3HD1 ILE 29 3.611 7.848 7.703 151 H ILE 30 H ILE 30 2.946 7.203 2.495 152 HA ILE 30 HA ILE 30 0.794 5.513 2.990 153 HB ILE 30 HB ILE 30 1.346 6.940 0.954 154 1HG2 ILE 30 1HG2 ILE 30 2.631 6.063 -0.805 155 2HG2 ILE 30 2HG2 ILE 30 3.618 5.813 0.655 156 3HG2 ILE 30 3HG2 ILE 30 2.720 4.450 -0.056 157 1HD1 ILE 30 1HD1 ILE 30 -0.950 5.125 -1.310 158 2HD1 ILE 30 2HD1 ILE 30 0.265 6.425 -1.269 159 3HD1 ILE 30 3HD1 ILE 30 0.774 4.739 -1.525 160 H GLU 31 H GLU 31 4.254 4.913 2.906 161 HA GLU 31 HA GLU 31 4.300 2.493 1.665 162 2HB GLU 31 2HB GLU 31 6.079 3.504 3.927 163 2HG GLU 31 2HG GLU 31 6.528 1.335 1.822 164 HE2 GLU 31 HE2 GLU 31 9.617 2.339 4.185 165 H GLU 32 H GLU 32 3.800 3.246 5.167 166 HA GLU 32 HA GLU 32 3.881 0.515 5.879 167 2HB GLU 32 2HB GLU 32 2.893 2.944 7.440 168 2HG GLU 32 2HG GLU 32 2.127 0.744 8.379 169 HE2 GLU 32 HE2 GLU 32 2.735 -1.030 9.406 170 H CYS 33 H CYS 33 1.300 2.957 5.281 171 HA CYS 33 HA CYS 33 -0.848 1.380 6.057 172 2HB CYS 33 2HB CYS 33 -2.097 2.846 4.342 173 H LYS 34 H LYS 34 1.272 1.389 3.206 174 HA LYS 34 HA LYS 34 -0.687 0.119 1.529 175 2HB LYS 34 2HB LYS 34 2.236 0.720 0.990 176 2HG LYS 34 2HG LYS 34 -0.145 0.311 -0.880 177 2HD LYS 34 2HD LYS 34 2.766 0.292 -1.691 178 2HE LYS 34 2HE LYS 34 0.368 1.426 -3.176 179 1HZ LYS 34 1HZ LYS 34 2.875 0.131 -4.111 180 2HZ LYS 34 2HZ LYS 34 1.757 0.843 -5.059 181 H THR 35 H THR 35 2.693 -0.797 2.548 182 HA THR 35 HA THR 35 2.552 -3.280 1.345 183 HB THR 35 HB THR 35 4.214 -2.579 3.810 184 HG1 THR 35 HG1 THR 35 4.290 -1.790 0.989 185 1HG2 THR 35 1HG2 THR 35 4.805 -4.091 1.210 186 2HG2 THR 35 2HG2 THR 35 5.987 -3.764 2.500 187 3HG2 THR 35 3HG2 THR 35 4.602 -4.838 2.813 188 H SER 36 H SER 36 1.330 -2.212 4.495 189 HA SER 36 HA SER 36 1.188 -4.563 5.811 190 2HB SER 36 2HB SER 36 -1.044 -3.553 6.748 191 HG SER 36 HG SER 36 1.194 -1.740 6.832 192 H MET 37 H MET 37 -1.509 -3.172 3.764 193 HA MET 37 HA MET 37 -2.728 -5.800 3.990 194 2HB MET 37 2HB MET 37 -4.510 -3.796 2.891 195 2HG MET 37 2HG MET 37 -4.246 -5.187 5.588 196 1HE MET 37 1HE MET 37 -5.621 -2.186 7.388 197 2HE MET 37 2HE MET 37 -4.818 -3.766 7.559 198 3HE MET 37 3HE MET 37 -4.129 -2.529 6.480 199 H VAL 38 H VAL 38 -1.022 -3.840 1.778 200 HA VAL 38 HA VAL 38 -2.606 -4.657 -0.521 201 HB VAL 38 HB VAL 38 -0.222 -2.819 -0.223 202 1HG1 VAL 38 1HG1 VAL 38 -0.148 -3.655 -2.444 203 2HG1 VAL 38 2HG1 VAL 38 -1.915 -3.543 -2.628 204 3HG1 VAL 38 3HG1 VAL 38 -0.933 -2.060 -2.546 205 1HG2 VAL 38 1HG2 VAL 38 -3.190 -2.265 -0.527 206 2HG2 VAL 38 2HG2 VAL 38 -2.152 -1.872 0.864 207 3HG2 VAL 38 3HG2 VAL 38 -1.917 -1.033 -0.688 208 H GLU 39 H GLU 39 -0.223 -5.983 1.419 209 HA GLU 39 HA GLU 39 1.607 -6.993 -0.334 210 2HB GLU 39 2HB GLU 39 0.453 -8.694 1.891 211 2HG GLU 39 2HG GLU 39 2.513 -9.308 0.401 212 HE2 GLU 39 HE2 GLU 39 4.802 -6.683 0.228 213 H ARG 40 H ARG 40 -1.773 -7.999 0.309 214 HA ARG 40 HA ARG 40 -1.670 -10.356 -1.140 215 2HB ARG 40 2HB ARG 40 -3.926 -8.416 -0.474 216 2HG ARG 40 2HG ARG 40 -4.039 -11.074 -1.962 217 2HD ARG 40 2HD ARG 40 -5.669 -11.037 -0.025 218 HE ARG 40 HE ARG 40 -6.125 -8.352 -0.872 219 1HH1 ARG 40 1HH1 ARG 40 -7.987 -11.194 0.134 220 2HH1 ARG 40 2HH1 ARG 40 -9.318 -10.264 0.737 221 2HH2 ARG 40 2HH2 ARG 40 -9.231 -7.871 0.610 222 H CYS 41 H CYS 41 -1.929 -6.937 -2.067 223 HA CYS 41 HA CYS 41 -2.781 -7.681 -4.747 224 2HB CYS 41 2HB CYS 41 -2.519 -4.883 -4.546 225 H GLN 42 H GLN 42 -0.001 -7.997 -3.322 226 HA GLN 42 HA GLN 42 1.785 -6.162 -4.147 227 2HB GLN 42 2HB GLN 42 2.083 -9.190 -3.969 228 2HG GLN 42 2HG GLN 42 4.563 -8.150 -3.413 229 1HE2 GLN 42 1HE2 GLN 42 4.341 -10.470 -3.865 230 2HE2 GLN 42 2HE2 GLN 42 4.626 -11.053 -5.471 231 H ASN 43 H ASN 43 0.249 -8.771 -6.064 232 HA ASN 43 HA ASN 43 1.914 -8.873 -8.184 233 2HB ASN 43 2HB ASN 43 -1.148 -8.872 -8.304 234 1HD2 ASN 43 1HD2 ASN 43 1.466 -11.025 -9.341 235 H GLN 44 H GLN 44 -0.772 -6.550 -7.467 236 HA GLN 44 HA GLN 44 -0.403 -5.237 -9.977 237 2HB GLN 44 2HB GLN 44 -2.154 -4.484 -7.593 238 2HG GLN 44 2HG GLN 44 -2.213 -3.639 -10.530 239 1HE2 GLN 44 1HE2 GLN 44 -3.664 -1.590 -10.582 240 2HE2 GLN 44 2HE2 GLN 44 -5.253 -1.773 -9.915 241 H GLU 45 H GLU 45 0.370 -4.690 -6.507 242 HA GLU 45 HA GLU 45 0.821 -1.947 -6.849 243 2HB GLU 45 2HB GLU 45 0.470 -3.654 -4.698 244 2HG GLU 45 2HG GLU 45 3.315 -2.545 -4.583 245 HE2 GLU 45 HE2 GLU 45 2.563 -2.570 -1.180 246 H PHE 46 H PHE 46 2.734 -4.802 -7.467 247 HA PHE 46 HA PHE 46 4.860 -5.173 -7.915 248 2HB PHE 46 2HB PHE 46 4.947 -2.173 -8.575 249 HD1 PHE 46 HD1 PHE 46 7.084 -1.584 -9.180 250 HD2 PHE 46 HD2 PHE 46 5.690 -5.461 -10.198 251 HE1 PHE 46 HE1 PHE 46 9.250 -2.054 -10.359 252 HE2 PHE 46 HE2 PHE 46 7.856 -5.931 -11.375 253 HZ PHE 46 HZ PHE 46 9.610 -4.222 -11.442 254 H GLU 47 H GLU 47 5.204 -5.412 -5.501 255 HA GLU 47 HA GLU 47 5.674 -3.043 -4.051 256 2HB GLU 47 2HB GLU 47 6.113 -5.924 -3.157 257 2HG GLU 47 2HG GLU 47 4.979 -4.250 -1.142 258 HE2 GLU 47 HE2 GLU 47 7.103 -6.557 0.353 259 H SER 48 H SER 48 7.565 -1.925 -4.497 260 HA SER 48 HA SER 48 9.684 -1.493 -4.721 261 2HB SER 48 2HB SER 48 11.350 -2.731 -3.591 262 HG SER 48 HG SER 48 9.277 -3.987 -2.146 263 H ALA 49 H ALA 49 9.507 -5.075 -5.476 264 HA ALA 49 HA ALA 49 9.068 -4.373 -8.216 265 1HB ALA 49 1HB ALA 49 10.985 -5.832 -9.016 266 2HB ALA 49 2HB ALA 49 11.471 -4.281 -8.293 267 3HB ALA 49 3HB ALA 49 11.619 -5.786 -7.354 268 H ALA 50 H ALA 50 10.055 -7.085 -5.982 269 HA ALA 50 HA ALA 50 7.363 -8.125 -6.478 270 1HB ALA 50 1HB ALA 50 9.951 -9.723 -6.342 271 2HB ALA 50 2HB ALA 50 8.319 -10.436 -6.302 272 3HB ALA 50 3HB ALA 50 8.870 -9.554 -7.746 273 H GLY 51 H GLY 51 10.330 -8.469 -4.395 274 1HA GLY 51 1HA GLY 51 9.084 -7.308 -2.161 275 2HA GLY 51 2HA GLY 51 8.968 -9.051 -2.015 276 H SER 52 H SER 52 11.108 -10.308 -2.465 277 HA SER 52 HA SER 52 13.057 -9.331 -0.750 278 2HB SER 52 2HB SER 52 13.277 -11.494 -2.892 279 HG SER 52 HG SER 52 15.352 -10.993 -2.056 280 H THR 53 H THR 53 12.690 -9.275 -4.339 281 HA THR 53 HA THR 53 15.075 -7.778 -4.770 282 HB THR 53 HB THR 53 12.503 -7.890 -6.425 283 HG1 THR 53 HG1 THR 53 14.887 -9.588 -6.192 284 1HG2 THR 53 1HG2 THR 53 15.463 -7.607 -7.168 285 2HG2 THR 53 2HG2 THR 53 14.116 -7.733 -8.325 286 3HG2 THR 53 3HG2 THR 53 14.252 -6.307 -7.268 287 H THR 54 H THR 54 14.967 -6.301 -2.914 288 HA THR 54 HA THR 54 12.701 -4.523 -2.801 289 HB THR 54 HB THR 54 15.300 -4.432 -1.196 290 HG1 THR 54 HG1 THR 54 12.879 -6.082 -1.101 291 1HG2 THR 54 1HG2 THR 54 12.370 -3.870 -0.485 292 2HG2 THR 54 2HG2 THR 54 13.759 -3.721 0.620 293 3HG2 THR 54 3HG2 THR 54 13.604 -2.618 -0.769 294 H LEU 55 H LEU 55 13.113 -3.810 -5.127 295 HA LEU 55 HA LEU 55 15.222 -1.891 -5.417 296 2HB LEU 55 2HB LEU 55 12.833 -2.619 -7.111 297 HG LEU 55 HG LEU 55 13.696 -0.259 -7.542 298 1HD1 LEU 55 1HD1 LEU 55 15.812 -0.089 -8.809 299 2HD1 LEU 55 2HD1 LEU 55 16.051 -0.607 -7.123 300 3HD1 LEU 55 3HD1 LEU 55 16.146 -1.798 -8.442 301 1HD2 LEU 55 1HD2 LEU 55 13.700 -0.566 -9.985 302 2HD2 LEU 55 2HD2 LEU 55 13.880 -2.323 -9.756 303 3HD2 LEU 55 3HD2 LEU 55 12.408 -1.498 -9.188 304 H GLY 56 H GLY 56 15.212 0.146 -4.638 305 1HA GLY 56 1HA GLY 56 13.173 1.074 -2.994 306 2HA GLY 56 2HA GLY 56 14.478 2.032 -3.665 307 HA PRO 57 HA PRO 57 11.702 3.819 -6.525 308 2HB PRO 57 2HB PRO 57 13.314 5.118 -7.530 309 2HG PRO 57 2HG PRO 57 15.457 4.275 -7.387 310 2HD PRO 57 2HD PRO 57 15.251 2.953 -5.517 311 H GLN 58 H GLN 58 10.167 2.073 -6.323 312 HA GLN 58 HA GLN 58 10.337 -0.072 -8.072 313 2HB GLN 58 2HB GLN 58 8.937 0.163 -5.928 314 2HG GLN 58 2HG GLN 58 6.806 1.197 -7.832 315 1HE2 GLN 58 1HE2 GLN 58 5.999 -0.734 -6.448 316 2HE2 GLN 58 2HE2 GLN 58 5.222 -0.307 -4.959 Start of MODEL 2 1 1H ASP 1 1H ASP 1 -4.624 -11.133 -14.803 2 HA ASP 1 HA ASP 1 -2.942 -11.497 -12.526 3 2HB ASP 1 2HB ASP 1 -3.515 -9.236 -11.569 4 HD2 ASP 1 HD2 ASP 1 -0.246 -9.012 -12.982 5 H GLN 2 H GLN 2 -4.313 -11.522 -10.496 6 HA GLN 2 HA GLN 2 -7.119 -11.173 -10.832 7 2HB GLN 2 2HB GLN 2 -7.252 -13.369 -11.631 8 2HG GLN 2 2HG GLN 2 -4.986 -14.020 -9.693 9 1HE2 GLN 2 1HE2 GLN 2 -6.255 -15.487 -12.647 10 2HE2 GLN 2 2HE2 GLN 2 -6.586 -17.060 -12.001 11 H ASN 3 H ASN 3 -6.820 -9.600 -9.153 12 HA ASN 3 HA ASN 3 -6.403 -10.719 -6.549 13 2HB ASN 3 2HB ASN 3 -4.700 -8.537 -6.364 14 1HD2 ASN 3 1HD2 ASN 3 -4.645 -10.149 -4.634 15 H CYS 4 H CYS 4 -6.480 -8.661 -4.894 16 HA CYS 4 HA CYS 4 -8.741 -7.191 -5.220 17 2HB CYS 4 2HB CYS 4 -6.995 -7.466 -3.238 18 H ASP 5 H ASP 5 -9.127 -4.943 -5.923 19 HA ASP 5 HA ASP 5 -7.388 -3.987 -7.934 20 2HB ASP 5 2HB ASP 5 -8.866 -1.926 -7.780 21 HD2 ASP 5 HD2 ASP 5 -11.198 -2.037 -8.056 22 H ILE 6 H ILE 6 -5.363 -3.153 -7.332 23 HA ILE 6 HA ILE 6 -4.554 -2.061 -5.004 24 HB ILE 6 HB ILE 6 -3.165 -2.449 -6.979 25 1HG2 ILE 6 1HG2 ILE 6 -4.821 -1.446 -8.604 26 2HG2 ILE 6 2HG2 ILE 6 -4.223 0.153 -8.098 27 3HG2 ILE 6 3HG2 ILE 6 -3.114 -1.011 -8.861 28 1HD1 ILE 6 1HD1 ILE 6 -0.505 -0.088 -6.304 29 2HD1 ILE 6 2HD1 ILE 6 -1.057 -1.382 -7.395 30 3HD1 ILE 6 3HD1 ILE 6 -1.513 0.309 -7.716 31 H GLY 7 H GLY 7 -4.617 -0.030 -3.964 32 1HA GLY 7 1HA GLY 7 -5.091 2.304 -4.066 33 2HA GLY 7 2HA GLY 7 -6.404 1.980 -5.181 34 H ASN 8 H ASN 8 -6.226 -0.440 -2.717 35 HA ASN 8 HA ASN 8 -8.876 0.219 -2.113 36 2HB ASN 8 2HB ASN 8 -6.928 -1.834 -0.953 37 1HD2 ASN 8 1HD2 ASN 8 -10.412 -1.757 -1.557 38 H ILE 9 H ILE 9 -5.885 -0.131 -0.038 39 HA ILE 9 HA ILE 9 -7.276 1.017 2.193 40 HB ILE 9 HB ILE 9 -5.689 -0.907 2.313 41 1HG2 ILE 9 1HG2 ILE 9 -3.561 1.218 1.943 42 2HG2 ILE 9 2HG2 ILE 9 -3.301 -0.503 2.313 43 3HG2 ILE 9 3HG2 ILE 9 -3.998 -0.025 0.747 44 1HD1 ILE 9 1HD1 ILE 9 -6.624 0.056 5.602 45 2HD1 ILE 9 2HD1 ILE 9 -7.412 1.001 4.316 46 3HD1 ILE 9 3HD1 ILE 9 -7.137 -0.744 4.097 47 H THR 10 H THR 10 -5.199 2.103 -0.427 48 HA THR 10 HA THR 10 -3.941 4.191 1.047 49 HB THR 10 HB THR 10 -3.139 4.791 -1.296 50 HG1 THR 10 HG1 THR 10 -5.018 4.102 -2.466 51 1HG2 THR 10 1HG2 THR 10 -3.088 1.767 -0.836 52 2HG2 THR 10 2HG2 THR 10 -1.887 2.747 -1.711 53 3HG2 THR 10 3HG2 THR 10 -2.038 2.895 0.056 54 H SER 11 H SER 11 -7.029 3.842 -0.565 55 HA SER 11 HA SER 11 -7.675 6.396 -1.129 56 2HB SER 11 2HB SER 11 -9.335 4.252 0.261 57 HG SER 11 HG SER 11 -10.247 6.609 -1.157 58 H GLN 12 H GLN 12 -7.431 4.802 2.092 59 HA GLN 12 HA GLN 12 -8.313 7.137 3.448 60 2HB GLN 12 2HB GLN 12 -6.893 4.658 4.519 61 2HG GLN 12 2HG GLN 12 -8.527 6.859 5.864 62 1HE2 GLN 12 1HE2 GLN 12 -7.011 6.068 8.279 63 2HE2 GLN 12 2HE2 GLN 12 -7.808 4.678 8.937 64 H CYS 13 H CYS 13 -5.128 5.476 2.888 65 HA CYS 13 HA CYS 13 -3.808 6.948 4.833 66 2HB CYS 13 2HB CYS 13 -1.765 6.043 3.907 67 H GLN 14 H GLN 14 -4.495 7.504 1.367 68 HA GLN 14 HA GLN 14 -2.436 9.343 0.967 69 2HB GLN 14 2HB GLN 14 -3.994 9.984 -1.061 70 2HG GLN 14 2HG GLN 14 -2.847 7.197 -0.585 71 1HE2 GLN 14 1HE2 GLN 14 -1.970 6.417 -2.790 72 2HE2 GLN 14 2HE2 GLN 14 -3.145 6.331 -4.060 73 H MET 15 H MET 15 -5.708 9.581 2.296 74 HA MET 15 HA MET 15 -5.672 12.453 2.037 75 2HB MET 15 2HB MET 15 -7.983 12.229 3.059 76 2HG MET 15 2HG MET 15 -7.425 10.264 0.784 77 1HE MET 15 1HE MET 15 -11.002 10.244 -0.709 78 2HE MET 15 2HE MET 15 -9.620 11.280 -1.140 79 3HE MET 15 3HE MET 15 -9.362 9.555 -0.780 80 H GLN 16 H GLN 16 -4.294 10.228 4.127 81 HA GLN 16 HA GLN 16 -5.381 11.362 6.540 82 2HB GLN 16 2HB GLN 16 -3.370 9.091 6.305 83 2HG GLN 16 2HG GLN 16 -5.452 9.908 8.383 84 1HE2 GLN 16 1HE2 GLN 16 -2.601 8.052 8.965 85 2HE2 GLN 16 2HE2 GLN 16 -3.342 6.524 9.309 86 H HIS 17 H HIS 17 -2.208 10.957 4.845 87 HA HIS 17 HA HIS 17 -1.015 12.963 6.495 88 2HB HIS 17 2HB HIS 17 -0.805 11.315 8.137 89 HD1 HIS 17 HD1 HIS 17 -0.404 8.856 8.931 90 HD2 HIS 17 HD2 HIS 17 -0.456 9.348 4.765 91 HE1 HIS 17 HE1 HIS 17 -0.578 6.512 7.936 92 H LYS 18 H LYS 18 -1.498 12.801 3.716 93 HA LYS 18 HA LYS 18 1.307 12.729 2.859 94 2HB LYS 18 2HB LYS 18 0.552 12.047 0.614 95 2HG LYS 18 2HG LYS 18 -0.627 10.044 2.554 96 2HD LYS 18 2HD LYS 18 -0.226 9.690 -0.010 97 2HE LYS 18 2HE LYS 18 2.606 9.624 1.115 98 1HZ LYS 18 1HZ LYS 18 1.700 8.545 -1.499 99 2HZ LYS 18 2HZ LYS 18 3.222 8.524 -0.920 100 H ASN 19 H ASN 19 1.840 14.369 1.197 101 HA ASN 19 HA ASN 19 -0.247 16.395 0.978 102 2HB ASN 19 2HB ASN 19 1.641 18.040 0.583 103 1HD2 ASN 19 1HD2 ASN 19 2.860 15.734 2.939 104 H CYS 20 H CYS 20 -0.202 14.128 -0.752 105 HA CYS 20 HA CYS 20 0.935 15.104 -3.216 106 2HB CYS 20 2HB CYS 20 2.295 13.079 -3.573 107 H GLU 21 H GLU 21 -0.454 12.262 -1.395 108 HA GLU 21 HA GLU 21 -2.452 11.411 -1.548 109 2HB GLU 21 2HB GLU 21 -3.236 13.199 -3.863 110 2HG GLU 21 2HG GLU 21 -4.695 12.279 -1.342 111 HE2 GLU 21 HE2 GLU 21 -6.949 12.192 -2.181 112 H ASP 22 H ASP 22 -0.189 10.357 -3.017 113 HA ASP 22 HA ASP 22 -1.713 8.786 -4.886 114 2HB ASP 22 2HB ASP 22 0.319 8.926 -6.503 115 HD2 ASP 22 HD2 ASP 22 -0.587 12.020 -5.534 116 H ALA 23 H ALA 23 -0.532 6.690 -5.370 117 HA ALA 23 HA ALA 23 0.661 5.783 -2.955 118 1HB ALA 23 1HB ALA 23 -0.913 4.419 -4.251 119 2HB ALA 23 2HB ALA 23 0.192 4.435 -5.646 120 3HB ALA 23 3HB ALA 23 0.664 3.601 -4.146 121 H ASN 24 H ASN 24 1.792 6.175 -6.383 122 HA ASN 24 HA ASN 24 4.390 5.316 -5.712 123 2HB ASN 24 2HB ASN 24 3.558 5.047 -8.006 124 1HD2 ASN 24 1HD2 ASN 24 1.558 5.747 -8.538 125 H GLY 25 H GLY 25 2.596 8.379 -5.797 126 1HA GLY 25 1HA GLY 25 4.935 10.062 -5.988 127 2HA GLY 25 2HA GLY 25 3.265 10.558 -5.795 128 H CYS 26 H CYS 26 6.234 10.543 -4.279 129 HA CYS 26 HA CYS 26 6.940 10.861 -2.227 130 2HB CYS 26 2HB CYS 26 5.555 11.974 -0.609 131 H ASP 27 H ASP 27 6.780 8.249 -2.829 132 HA ASP 27 HA ASP 27 4.914 6.854 -1.233 133 2HB ASP 27 2HB ASP 27 5.643 5.800 -3.266 134 HD2 ASP 27 HD2 ASP 27 8.996 7.150 -3.837 135 H THR 28 H THR 28 5.676 8.062 0.841 136 HA THR 28 HA THR 28 8.163 6.877 1.891 137 HB THR 28 HB THR 28 6.854 9.617 2.245 138 HG1 THR 28 HG1 THR 28 8.863 10.172 1.239 139 1HG2 THR 28 1HG2 THR 28 7.731 8.898 4.467 140 2HG2 THR 28 2HG2 THR 28 9.259 8.397 3.703 141 3HG2 THR 28 3HG2 THR 28 8.805 10.118 3.743 142 H ILE 29 H ILE 29 5.067 8.355 3.089 143 HA ILE 29 HA ILE 29 5.234 6.736 5.443 144 HB ILE 29 HB ILE 29 4.375 9.110 5.267 145 1HG2 ILE 29 1HG2 ILE 29 1.859 7.743 4.277 146 2HG2 ILE 29 2HG2 ILE 29 2.073 9.470 4.644 147 3HG2 ILE 29 3HG2 ILE 29 2.944 8.737 3.277 148 1HD1 ILE 29 1HD1 ILE 29 5.050 8.869 7.392 149 2HD1 ILE 29 2HD1 ILE 29 4.040 8.101 8.641 150 3HD1 ILE 29 3HD1 ILE 29 5.033 7.097 7.556 151 H ILE 30 H ILE 30 3.762 6.531 2.239 152 HA ILE 30 HA ILE 30 1.641 4.817 3.126 153 HB ILE 30 HB ILE 30 1.784 6.582 1.171 154 1HG2 ILE 30 1HG2 ILE 30 2.253 5.726 -0.970 155 2HG2 ILE 30 2HG2 ILE 30 3.618 5.213 0.051 156 3HG2 ILE 30 3HG2 ILE 30 2.340 4.050 -0.377 157 1HD1 ILE 30 1HD1 ILE 30 -1.419 5.554 -0.176 158 2HD1 ILE 30 2HD1 ILE 30 0.025 6.536 -0.522 159 3HD1 ILE 30 3HD1 ILE 30 -0.058 4.848 -1.081 160 H GLU 31 H GLU 31 4.964 4.420 2.508 161 HA GLU 31 HA GLU 31 5.196 2.048 1.270 162 2HB GLU 31 2HB GLU 31 6.629 3.031 3.774 163 2HG GLU 31 2HG GLU 31 7.449 0.860 1.786 164 HE2 GLU 31 HE2 GLU 31 9.986 1.370 4.788 165 H GLU 32 H GLU 32 4.477 2.546 4.800 166 HA GLU 32 HA GLU 32 4.125 -0.274 5.103 167 2HB GLU 32 2HB GLU 32 3.764 2.035 7.064 168 2HG GLU 32 2HG GLU 32 2.477 0.056 7.793 169 HE2 GLU 32 HE2 GLU 32 5.452 -2.629 7.567 170 H CYS 33 H CYS 33 2.117 2.697 4.925 171 HA CYS 33 HA CYS 33 -0.172 1.570 6.047 172 2HB CYS 33 2HB CYS 33 -0.226 3.811 4.040 173 H LYS 34 H LYS 34 1.251 1.594 2.777 174 HA LYS 34 HA LYS 34 -1.083 0.450 1.562 175 2HB LYS 34 2HB LYS 34 1.741 0.640 0.479 176 2HG LYS 34 2HG LYS 34 -1.011 0.116 -0.682 177 2HD LYS 34 2HD LYS 34 0.313 2.154 -1.769 178 2HE LYS 34 2HE LYS 34 1.825 1.311 -3.598 179 1HZ LYS 34 1HZ LYS 34 3.696 0.810 -2.078 180 2HZ LYS 34 2HZ LYS 34 2.850 2.099 -1.558 181 H THR 35 H THR 35 2.276 -0.763 2.326 182 HA THR 35 HA THR 35 1.711 -3.240 1.129 183 HB THR 35 HB THR 35 3.898 -2.404 3.108 184 HG1 THR 35 HG1 THR 35 4.178 -1.097 1.314 185 1HG2 THR 35 1HG2 THR 35 5.247 -4.088 1.796 186 2HG2 THR 35 2HG2 THR 35 3.927 -4.850 2.715 187 3HG2 THR 35 3HG2 THR 35 3.756 -4.588 0.963 188 H SER 36 H SER 36 1.042 -1.975 4.327 189 HA SER 36 HA SER 36 1.013 -4.199 5.841 190 2HB SER 36 2HB SER 36 -1.138 -3.077 6.881 191 HG SER 36 HG SER 36 1.412 -1.729 6.623 192 H MET 37 H MET 37 -1.848 -2.957 3.938 193 HA MET 37 HA MET 37 -3.027 -5.580 4.355 194 2HB MET 37 2HB MET 37 -5.084 -4.063 3.412 195 2HG MET 37 2HG MET 37 -3.879 -4.233 6.185 196 1HE MET 37 1HE MET 37 -3.556 -1.528 6.126 197 2HE MET 37 2HE MET 37 -4.724 -0.740 7.214 198 3HE MET 37 3HE MET 37 -3.922 -2.250 7.711 199 H VAL 38 H VAL 38 -1.365 -3.796 1.997 200 HA VAL 38 HA VAL 38 -2.805 -5.048 -0.209 201 HB VAL 38 HB VAL 38 -0.585 -3.002 -0.067 202 1HG1 VAL 38 1HG1 VAL 38 -1.853 -4.374 -2.448 203 2HG1 VAL 38 2HG1 VAL 38 -1.064 -2.783 -2.573 204 3HG1 VAL 38 3HG1 VAL 38 -0.127 -4.203 -2.050 205 1HG2 VAL 38 1HG2 VAL 38 -2.678 -2.030 0.557 206 2HG2 VAL 38 2HG2 VAL 38 -2.354 -1.542 -1.124 207 3HG2 VAL 38 3HG2 VAL 38 -3.527 -2.837 -0.783 208 H GLU 39 H GLU 39 -0.578 -5.963 2.061 209 HA GLU 39 HA GLU 39 1.580 -6.908 0.749 210 2HB GLU 39 2HB GLU 39 0.489 -8.840 2.706 211 2HG GLU 39 2HG GLU 39 2.616 -8.310 3.855 212 HE2 GLU 39 HE2 GLU 39 3.934 -7.358 1.058 213 H ARG 40 H ARG 40 -1.533 -8.711 1.308 214 HA ARG 40 HA ARG 40 -0.721 -10.922 -0.141 215 2HB ARG 40 2HB ARG 40 -2.643 -10.826 1.507 216 2HG ARG 40 2HG ARG 40 -4.110 -9.548 -0.849 217 2HD ARG 40 2HD ARG 40 -5.974 -9.379 0.873 218 HE ARG 40 HE ARG 40 -5.572 -12.261 0.626 219 1HH1 ARG 40 1HH1 ARG 40 -6.333 -9.311 -1.184 220 2HH1 ARG 40 2HH1 ARG 40 -7.146 -10.155 -2.459 221 2HH2 ARG 40 2HH2 ARG 40 -7.298 -12.546 -2.375 222 H CYS 41 H CYS 41 -1.761 -7.750 -1.133 223 HA CYS 41 HA CYS 41 -2.803 -8.775 -3.660 224 2HB CYS 41 2HB CYS 41 -3.131 -6.035 -2.422 225 H GLN 42 H GLN 42 0.123 -8.378 -2.664 226 HA GLN 42 HA GLN 42 1.058 -5.972 -3.673 227 2HB GLN 42 2HB GLN 42 2.220 -7.399 -1.969 228 2HG GLN 42 2HG GLN 42 3.054 -9.064 -4.390 229 1HE2 GLN 42 1HE2 GLN 42 2.489 -9.774 -0.985 230 2HE2 GLN 42 2HE2 GLN 42 4.116 -10.181 -0.553 231 H ASN 43 H ASN 43 0.140 -8.940 -5.249 232 HA ASN 43 HA ASN 43 1.654 -9.089 -7.435 233 2HB ASN 43 2HB ASN 43 -1.406 -9.059 -7.513 234 1HD2 ASN 43 1HD2 ASN 43 -1.425 -8.615 -9.691 235 H GLN 44 H GLN 44 -0.851 -6.630 -6.620 236 HA GLN 44 HA GLN 44 -0.693 -5.544 -9.283 237 2HB GLN 44 2HB GLN 44 -2.555 -4.043 -8.449 238 2HG GLN 44 2HG GLN 44 -4.236 -5.875 -8.213 239 1HE2 GLN 44 1HE2 GLN 44 -4.222 -4.637 -10.227 240 2HE2 GLN 44 2HE2 GLN 44 -3.669 -5.381 -11.689 241 H GLU 45 H GLU 45 0.356 -4.880 -5.957 242 HA GLU 45 HA GLU 45 0.908 -2.145 -6.500 243 2HB GLU 45 2HB GLU 45 0.442 -3.580 -4.210 244 2HG GLU 45 2HG GLU 45 3.423 -2.912 -4.233 245 HE2 GLU 45 HE2 GLU 45 3.203 -1.874 -2.369 246 H PHE 46 H PHE 46 2.434 -5.071 -7.350 247 HA PHE 46 HA PHE 46 4.531 -5.874 -7.101 248 2HB PHE 46 2HB PHE 46 4.664 -5.075 -9.343 249 HD1 PHE 46 HD1 PHE 46 2.541 -3.826 -9.721 250 HD2 PHE 46 HD2 PHE 46 6.076 -1.882 -8.408 251 HE1 PHE 46 HE1 PHE 46 1.580 -1.613 -10.413 252 HE2 PHE 46 HE2 PHE 46 5.116 0.332 -9.100 253 HZ PHE 46 HZ PHE 46 2.879 0.440 -10.094 254 H GLU 47 H GLU 47 4.824 -5.536 -4.759 255 HA GLU 47 HA GLU 47 5.620 -3.139 -3.691 256 2HB GLU 47 2HB GLU 47 4.812 -5.332 -2.545 257 2HG GLU 47 2HG GLU 47 6.653 -6.704 -1.598 258 HE2 GLU 47 HE2 GLU 47 7.517 -8.198 -4.937 259 H SER 48 H SER 48 7.649 -2.193 -3.191 260 HA SER 48 HA SER 48 10.043 -3.560 -3.760 261 2HB SER 48 2HB SER 48 9.302 -3.034 -6.090 262 HG SER 48 HG SER 48 9.702 -0.270 -5.328 263 H ALA 49 H ALA 49 9.376 -2.503 -1.401 264 HA ALA 49 HA ALA 49 11.080 -0.202 -1.135 265 1HB ALA 49 1HB ALA 49 8.976 0.875 -1.789 266 2HB ALA 49 2HB ALA 49 8.099 -0.028 -0.531 267 3HB ALA 49 3HB ALA 49 9.314 1.189 -0.070 268 H ALA 50 H ALA 50 11.502 0.274 1.184 269 HA ALA 50 HA ALA 50 10.549 -1.572 3.134 270 1HB ALA 50 1HB ALA 50 12.824 -2.611 3.512 271 2HB ALA 50 2HB ALA 50 12.013 -3.127 2.014 272 3HB ALA 50 3HB ALA 50 13.327 -1.928 1.947 273 H GLY 51 H GLY 51 13.453 0.425 2.225 274 1HA GLY 51 1HA GLY 51 14.059 2.448 3.102 275 2HA GLY 51 2HA GLY 51 12.772 2.342 4.286 276 H SER 52 H SER 52 13.133 0.249 5.872 277 HA SER 52 HA SER 52 14.423 -1.171 6.940 278 2HB SER 52 2HB SER 52 16.955 0.016 5.759 279 HG SER 52 HG SER 52 16.273 -2.735 6.322 280 H THR 53 H THR 53 16.347 1.908 6.551 281 HA THR 53 HA THR 53 15.719 2.521 9.338 282 HB THR 53 HB THR 53 17.954 1.353 9.282 283 HG1 THR 53 HG1 THR 53 17.740 2.991 10.859 284 1HG2 THR 53 1HG2 THR 53 18.833 3.813 7.686 285 2HG2 THR 53 2HG2 THR 53 19.862 2.466 8.229 286 3HG2 THR 53 3HG2 THR 53 18.639 2.198 6.964 287 H THR 54 H THR 54 14.775 3.397 6.618 288 HA THR 54 HA THR 54 15.885 6.115 6.563 289 HB THR 54 HB THR 54 14.231 4.600 4.477 290 HG1 THR 54 HG1 THR 54 16.256 3.549 4.752 291 1HG2 THR 54 1HG2 THR 54 16.121 7.003 4.261 292 2HG2 THR 54 2HG2 THR 54 15.239 6.239 2.916 293 3HG2 THR 54 3HG2 THR 54 14.346 7.108 4.187 294 H LEU 55 H LEU 55 12.744 4.317 6.433 295 HA LEU 55 HA LEU 55 11.271 6.725 6.832 296 2HB LEU 55 2HB LEU 55 10.513 3.804 6.918 297 HG LEU 55 HG LEU 55 8.856 5.171 8.182 298 1HD1 LEU 55 1HD1 LEU 55 9.083 7.325 7.197 299 2HD1 LEU 55 2HD1 LEU 55 8.687 6.701 5.577 300 3HD1 LEU 55 3HD1 LEU 55 7.435 6.755 6.840 301 1HD2 LEU 55 1HD2 LEU 55 6.884 4.405 6.920 302 2HD2 LEU 55 2HD2 LEU 55 7.924 4.073 5.515 303 3HD2 LEU 55 3HD2 LEU 55 8.150 3.158 7.025 304 H GLY 56 H GLY 56 12.035 3.827 8.889 305 1HA GLY 56 1HA GLY 56 11.584 5.539 11.251 306 2HA GLY 56 2HA GLY 56 11.539 3.788 11.224 307 HA PRO 57 HA PRO 57 15.778 5.002 12.433 308 2HB PRO 57 2HB PRO 57 15.480 5.736 14.595 309 2HG PRO 57 2HG PRO 57 13.355 5.421 15.435 310 2HD PRO 57 2HD PRO 57 12.150 5.342 13.479 311 H GLN 58 H GLN 58 13.850 2.146 12.887 312 HA GLN 58 HA GLN 58 15.902 0.818 11.395 313 2HB GLN 58 2HB GLN 58 16.525 0.396 13.794 314 2HG GLN 58 2HG GLN 58 15.045 -1.245 15.037 315 1HE2 GLN 58 1HE2 GLN 58 15.822 0.626 16.222 316 2HE2 GLN 58 2HE2 GLN 58 14.731 1.917 16.602 Start of MODEL 3 1 1H ASP 1 1H ASP 1 -7.686 -4.880 -15.217 2 HA ASP 1 HA ASP 1 -5.426 -4.936 -15.786 3 2HB ASP 1 2HB ASP 1 -3.952 -2.976 -15.158 4 HD2 ASP 1 HD2 ASP 1 -7.000 -2.224 -16.410 5 H GLN 2 H GLN 2 -7.188 -3.638 -13.001 6 HA GLN 2 HA GLN 2 -5.262 -4.112 -11.051 7 2HB GLN 2 2HB GLN 2 -7.328 -2.703 -10.781 8 2HG GLN 2 2HG GLN 2 -8.787 -5.314 -10.240 9 1HE2 GLN 2 1HE2 GLN 2 -9.552 -4.097 -8.429 10 2HE2 GLN 2 2HE2 GLN 2 -10.781 -2.892 -8.622 11 H ASN 3 H ASN 3 -4.970 -5.890 -9.583 12 HA ASN 3 HA ASN 3 -5.908 -8.386 -10.694 13 2HB ASN 3 2HB ASN 3 -4.038 -8.078 -8.308 14 1HD2 ASN 3 1HD2 ASN 3 -5.105 -10.109 -7.814 15 H CYS 4 H CYS 4 -5.987 -6.314 -7.744 16 HA CYS 4 HA CYS 4 -8.541 -7.522 -7.173 17 2HB CYS 4 2HB CYS 4 -7.959 -8.677 -5.387 18 H ASP 5 H ASP 5 -6.301 -5.469 -5.188 19 HA ASP 5 HA ASP 5 -7.694 -3.100 -5.838 20 2HB ASP 5 2HB ASP 5 -8.566 -2.776 -3.453 21 HD2 ASP 5 HD2 ASP 5 -9.901 -2.392 -5.190 22 H ILE 6 H ILE 6 -5.424 -2.412 -6.091 23 HA ILE 6 HA ILE 6 -3.656 -2.350 -3.898 24 HB ILE 6 HB ILE 6 -3.102 -2.061 -6.323 25 1HG2 ILE 6 1HG2 ILE 6 -3.947 0.815 -5.941 26 2HG2 ILE 6 2HG2 ILE 6 -3.389 0.010 -7.427 27 3HG2 ILE 6 3HG2 ILE 6 -4.975 -0.404 -6.732 28 1HD1 ILE 6 1HD1 ILE 6 -1.276 0.516 -6.678 29 2HD1 ILE 6 2HD1 ILE 6 0.035 -0.302 -5.796 30 3HD1 ILE 6 3HD1 ILE 6 -0.961 -1.213 -6.956 31 H GLY 7 H GLY 7 -6.538 -0.513 -4.789 32 1HA GLY 7 1HA GLY 7 -5.688 1.745 -3.103 33 2HA GLY 7 2HA GLY 7 -6.900 1.778 -4.368 34 H ASN 8 H ASN 8 -6.453 -0.604 -1.671 35 HA ASN 8 HA ASN 8 -9.214 -0.183 -0.989 36 2HB ASN 8 2HB ASN 8 -8.470 -2.505 -1.066 37 1HD2 ASN 8 1HD2 ASN 8 -7.398 -3.790 1.249 38 H ILE 9 H ILE 9 -5.872 0.117 0.362 39 HA ILE 9 HA ILE 9 -7.007 1.161 2.849 40 HB ILE 9 HB ILE 9 -5.513 -0.827 2.911 41 1HG2 ILE 9 1HG2 ILE 9 -4.011 -0.157 1.067 42 2HG2 ILE 9 2HG2 ILE 9 -3.344 1.129 2.101 43 3HG2 ILE 9 3HG2 ILE 9 -3.131 -0.580 2.556 44 1HD1 ILE 9 1HD1 ILE 9 -5.905 0.382 6.222 45 2HD1 ILE 9 2HD1 ILE 9 -6.855 1.248 4.991 46 3HD1 ILE 9 3HD1 ILE 9 -6.642 -0.516 4.874 47 H THR 10 H THR 10 -4.882 1.898 0.071 48 HA THR 10 HA THR 10 -3.690 4.169 1.295 49 HB THR 10 HB THR 10 -2.899 4.503 -1.127 50 HG1 THR 10 HG1 THR 10 -3.629 2.708 -2.522 51 1HG2 THR 10 1HG2 THR 10 -1.475 2.571 -1.170 52 2HG2 THR 10 2HG2 THR 10 -1.784 2.845 0.562 53 3HG2 THR 10 3HG2 THR 10 -2.673 1.573 -0.310 54 H SER 11 H SER 11 -6.690 3.605 -0.482 55 HA SER 11 HA SER 11 -7.307 6.146 -1.213 56 2HB SER 11 2HB SER 11 -9.134 4.054 0.050 57 HG SER 11 HG SER 11 -10.272 6.024 -0.087 58 H GLN 12 H GLN 12 -7.195 4.656 2.031 59 HA GLN 12 HA GLN 12 -8.426 6.950 3.225 60 2HB GLN 12 2HB GLN 12 -7.040 4.624 4.622 61 2HG GLN 12 2HG GLN 12 -9.204 6.622 5.425 62 1HE2 GLN 12 1HE2 GLN 12 -10.696 4.854 5.650 63 2HE2 GLN 12 2HE2 GLN 12 -10.638 3.825 7.042 64 H CYS 13 H CYS 13 -5.157 5.377 3.122 65 HA CYS 13 HA CYS 13 -4.051 6.998 5.078 66 2HB CYS 13 2HB CYS 13 -1.900 6.170 4.321 67 H GLN 14 H GLN 14 -4.526 7.375 1.557 68 HA GLN 14 HA GLN 14 -2.566 9.286 1.146 69 2HB GLN 14 2HB GLN 14 -4.186 9.874 -0.870 70 2HG GLN 14 2HG GLN 14 -2.825 7.191 -0.385 71 1HE2 GLN 14 1HE2 GLN 14 -1.991 6.389 -2.591 72 2HE2 GLN 14 2HE2 GLN 14 -3.179 6.212 -3.839 73 H MET 15 H MET 15 -5.840 9.477 2.484 74 HA MET 15 HA MET 15 -6.087 12.259 1.935 75 2HB MET 15 2HB MET 15 -8.204 11.961 3.340 76 2HG MET 15 2HG MET 15 -9.205 10.109 1.832 77 1HE MET 15 1HE MET 15 -8.762 10.492 -1.200 78 2HE MET 15 2HE MET 15 -10.345 10.769 -0.437 79 3HE MET 15 3HE MET 15 -9.672 11.981 -1.554 80 H GLN 16 H GLN 16 -4.575 10.332 4.400 81 HA GLN 16 HA GLN 16 -5.454 12.014 6.539 82 2HB GLN 16 2HB GLN 16 -3.937 10.376 7.881 83 2HG GLN 16 2HG GLN 16 -6.277 9.327 6.221 84 1HE2 GLN 16 1HE2 GLN 16 -5.685 9.155 9.657 85 2HE2 GLN 16 2HE2 GLN 16 -5.500 7.437 9.789 86 H HIS 17 H HIS 17 -2.388 11.295 4.746 87 HA HIS 17 HA HIS 17 -1.031 13.368 6.213 88 2HB HIS 17 2HB HIS 17 -0.588 11.929 7.908 89 HD1 HIS 17 HD1 HIS 17 -1.353 9.809 8.985 90 HD2 HIS 17 HD2 HIS 17 -0.644 9.323 4.880 91 HE1 HIS 17 HE1 HIS 17 -2.041 7.419 8.419 92 H LYS 18 H LYS 18 -0.959 14.124 3.944 93 HA LYS 18 HA LYS 18 1.211 12.883 2.477 94 2HB LYS 18 2HB LYS 18 -0.505 13.119 0.414 95 2HG LYS 18 2HG LYS 18 -0.907 10.632 0.701 96 2HD LYS 18 2HD LYS 18 1.578 12.021 0.395 97 2HE LYS 18 2HE LYS 18 2.446 11.146 2.468 98 1HZ LYS 18 1HZ LYS 18 2.250 8.472 2.454 99 2HZ LYS 18 2HZ LYS 18 1.204 9.429 3.255 100 H ASN 19 H ASN 19 2.226 14.439 0.955 101 HA ASN 19 HA ASN 19 0.664 16.859 0.620 102 2HB ASN 19 2HB ASN 19 2.598 17.653 -0.735 103 1HD2 ASN 19 1HD2 ASN 19 2.202 18.815 1.267 104 H CYS 20 H CYS 20 1.747 13.814 -0.949 105 HA CYS 20 HA CYS 20 1.320 14.830 -3.575 106 2HB CYS 20 2HB CYS 20 1.934 12.525 -4.277 107 H GLU 21 H GLU 21 -0.167 12.276 -1.449 108 HA GLU 21 HA GLU 21 -2.172 11.424 -1.400 109 2HB GLU 21 2HB GLU 21 -3.192 13.255 -3.590 110 2HG GLU 21 2HG GLU 21 -4.420 12.235 -0.985 111 HE2 GLU 21 HE2 GLU 21 -6.751 12.032 -1.882 112 H ASP 22 H ASP 22 -0.189 10.187 -2.893 113 HA ASP 22 HA ASP 22 -1.801 8.858 -4.863 114 2HB ASP 22 2HB ASP 22 0.027 8.993 -6.583 115 HD2 ASP 22 HD2 ASP 22 -2.294 11.532 -7.436 116 H ALA 23 H ALA 23 -0.649 6.762 -5.572 117 HA ALA 23 HA ALA 23 0.352 5.537 -3.228 118 1HB ALA 23 1HB ALA 23 -1.113 4.406 -4.860 119 2HB ALA 23 2HB ALA 23 0.157 4.542 -6.101 120 3HB ALA 23 3HB ALA 23 0.421 3.526 -4.663 121 H ASN 24 H ASN 24 1.805 6.565 -6.380 122 HA ASN 24 HA ASN 24 4.276 5.346 -5.506 123 2HB ASN 24 2HB ASN 24 3.504 4.774 -7.778 124 1HD2 ASN 24 1HD2 ASN 24 1.563 5.613 -8.426 125 H GLY 25 H GLY 25 2.657 8.387 -5.592 126 1HA GLY 25 1HA GLY 25 4.571 10.045 -6.816 127 2HA GLY 25 2HA GLY 25 3.236 10.549 -5.797 128 H CYS 26 H CYS 26 3.554 10.203 -3.335 129 HA CYS 26 HA CYS 26 6.203 11.057 -2.624 130 2HB CYS 26 2HB CYS 26 5.095 10.894 -0.260 131 H ASP 27 H ASP 27 3.932 8.322 -1.834 132 HA ASP 27 HA ASP 27 4.264 6.362 -0.954 133 2HB ASP 27 2HB ASP 27 6.954 6.328 -2.387 134 HD2 ASP 27 HD2 ASP 27 4.121 4.563 -2.645 135 H THR 28 H THR 28 5.024 8.394 0.825 136 HA THR 28 HA THR 28 7.593 7.546 1.949 137 HB THR 28 HB THR 28 5.717 9.921 2.388 138 HG1 THR 28 HG1 THR 28 7.547 10.934 1.384 139 1HG2 THR 28 1HG2 THR 28 7.536 10.805 3.871 140 2HG2 THR 28 2HG2 THR 28 6.780 9.355 4.572 141 3HG2 THR 28 3HG2 THR 28 8.364 9.233 3.771 142 H ILE 29 H ILE 29 4.287 8.328 3.238 143 HA ILE 29 HA ILE 29 4.702 6.380 5.325 144 HB ILE 29 HB ILE 29 2.838 8.574 4.734 145 1HG2 ILE 29 1HG2 ILE 29 1.130 7.619 6.345 146 2HG2 ILE 29 2HG2 ILE 29 1.151 6.920 4.707 147 3HG2 ILE 29 3HG2 ILE 29 1.888 6.033 6.064 148 1HD1 ILE 29 1HD1 ILE 29 4.327 7.462 8.557 149 2HD1 ILE 29 2HD1 ILE 29 2.641 7.084 8.132 150 3HD1 ILE 29 3HD1 ILE 29 3.975 6.209 7.343 151 H ILE 30 H ILE 30 3.146 6.656 2.150 152 HA ILE 30 HA ILE 30 1.235 4.622 2.623 153 HB ILE 30 HB ILE 30 2.208 6.159 0.247 154 1HG2 ILE 30 1HG2 ILE 30 1.914 4.001 -0.715 155 2HG2 ILE 30 2HG2 ILE 30 0.400 3.734 0.183 156 3HG2 ILE 30 3HG2 ILE 30 0.466 4.957 -1.109 157 1HD1 ILE 30 1HD1 ILE 30 -0.243 7.168 -0.868 158 2HD1 ILE 30 2HD1 ILE 30 -0.597 8.317 0.445 159 3HD1 ILE 30 3HD1 ILE 30 1.082 8.071 -0.094 160 H GLU 31 H GLU 31 4.637 4.639 1.942 161 HA GLU 31 HA GLU 31 4.865 2.336 0.458 162 2HB GLU 31 2HB GLU 31 6.783 3.325 2.612 163 2HG GLU 31 2HG GLU 31 7.136 1.650 0.086 164 HE2 GLU 31 HE2 GLU 31 8.335 3.376 -0.592 165 H GLU 32 H GLU 32 4.448 2.846 3.987 166 HA GLU 32 HA GLU 32 4.548 -0.012 4.387 167 2HB GLU 32 2HB GLU 32 3.824 1.894 6.598 168 2HG GLU 32 2HG GLU 32 5.359 0.415 7.865 169 HE2 GLU 32 HE2 GLU 32 1.970 -0.931 7.534 170 H CYS 33 H CYS 33 2.262 2.774 4.528 171 HA CYS 33 HA CYS 33 0.195 1.473 5.801 172 2HB CYS 33 2HB CYS 33 -0.421 3.501 3.698 173 H LYS 34 H LYS 34 1.296 1.499 2.397 174 HA LYS 34 HA LYS 34 -0.998 0.162 1.385 175 2HB LYS 34 2HB LYS 34 1.787 0.386 0.205 176 2HG LYS 34 2HG LYS 34 -0.878 0.161 -1.239 177 2HD LYS 34 2HD LYS 34 0.535 -0.581 -3.101 178 2HE LYS 34 2HE LYS 34 1.844 1.839 -1.771 179 1HZ LYS 34 1HZ LYS 34 1.455 1.269 -4.653 180 2HZ LYS 34 2HZ LYS 34 2.386 2.431 -3.994 181 H THR 35 H THR 35 2.421 -0.961 2.008 182 HA THR 35 HA THR 35 1.933 -3.487 0.994 183 HB THR 35 HB THR 35 3.974 -2.561 3.085 184 HG1 THR 35 HG1 THR 35 4.404 -1.335 1.270 185 1HG2 THR 35 1HG2 THR 35 3.981 -5.045 2.749 186 2HG2 THR 35 2HG2 THR 35 4.054 -4.797 0.988 187 3HG2 THR 35 3HG2 THR 35 5.420 -4.296 2.016 188 H SER 36 H SER 36 1.394 -2.193 4.275 189 HA SER 36 HA SER 36 1.288 -4.430 5.726 190 2HB SER 36 2HB SER 36 -0.781 -3.206 6.870 191 HG SER 36 HG SER 36 1.404 -3.101 7.692 192 H MET 37 H MET 37 -1.597 -3.023 3.972 193 HA MET 37 HA MET 37 -2.901 -5.566 4.524 194 2HB MET 37 2HB MET 37 -4.966 -3.931 3.898 195 2HG MET 37 2HG MET 37 -3.378 -4.123 6.472 196 1HE MET 37 1HE MET 37 -2.984 -1.436 6.350 197 2HE MET 37 2HE MET 37 -3.971 -0.605 7.576 198 3HE MET 37 3HE MET 37 -3.158 -2.139 7.976 199 H VAL 38 H VAL 38 -1.311 -4.000 2.041 200 HA VAL 38 HA VAL 38 -3.114 -5.039 -0.011 201 HB VAL 38 HB VAL 38 -0.673 -3.260 -0.121 202 1HG1 VAL 38 1HG1 VAL 38 -1.495 -2.956 -2.560 203 2HG1 VAL 38 2HG1 VAL 38 -0.560 -4.415 -2.152 204 3HG1 VAL 38 3HG1 VAL 38 -2.330 -4.508 -2.312 205 1HG2 VAL 38 1HG2 VAL 38 -2.615 -2.114 0.767 206 2HG2 VAL 38 2HG2 VAL 38 -2.311 -1.553 -0.894 207 3HG2 VAL 38 3HG2 VAL 38 -3.625 -2.709 -0.571 208 H GLU 39 H GLU 39 -0.819 -6.225 2.036 209 HA GLU 39 HA GLU 39 1.019 -7.510 0.531 210 2HB GLU 39 2HB GLU 39 0.150 -9.406 2.463 211 2HG GLU 39 2HG GLU 39 2.057 -8.330 3.810 212 HE2 GLU 39 HE2 GLU 39 4.133 -7.880 2.139 213 H ARG 40 H ARG 40 -2.459 -8.265 0.939 214 HA ARG 40 HA ARG 40 -2.228 -10.845 -0.133 215 2HB ARG 40 2HB ARG 40 -4.094 -10.091 1.376 216 2HG ARG 40 2HG ARG 40 -4.276 -7.919 -0.358 217 2HD ARG 40 2HD ARG 40 -5.514 -9.471 -1.976 218 HE ARG 40 HE ARG 40 -7.049 -10.077 0.369 219 1HH1 ARG 40 1HH1 ARG 40 -7.511 -9.396 -3.077 220 2HH1 ARG 40 2HH1 ARG 40 -8.982 -10.304 -3.187 221 2HH2 ARG 40 2HH2 ARG 40 -9.829 -11.407 -1.234 222 H CYS 41 H CYS 41 -2.403 -7.624 -1.484 223 HA CYS 41 HA CYS 41 -2.769 -8.838 -4.128 224 2HB CYS 41 2HB CYS 41 -3.191 -5.912 -3.691 225 H GLN 42 H GLN 42 -0.306 -8.812 -2.550 226 HA GLN 42 HA GLN 42 1.263 -6.606 -3.039 227 2HB GLN 42 2HB GLN 42 2.107 -9.524 -2.744 228 2HG GLN 42 2HG GLN 42 3.596 -6.923 -2.834 229 1HE2 GLN 42 1HE2 GLN 42 4.067 -10.130 -1.344 230 2HE2 GLN 42 2HE2 GLN 42 4.773 -9.580 0.139 231 H ASN 43 H ASN 43 0.251 -9.253 -5.143 232 HA ASN 43 HA ASN 43 2.108 -9.171 -7.101 233 2HB ASN 43 2HB ASN 43 -0.936 -9.197 -7.465 234 1HD2 ASN 43 1HD2 ASN 43 1.686 -11.284 -8.560 235 H GLN 44 H GLN 44 -0.618 -6.882 -6.399 236 HA GLN 44 HA GLN 44 -0.395 -5.739 -8.990 237 2HB GLN 44 2HB GLN 44 -2.088 -4.848 -6.613 238 2HG GLN 44 2HG GLN 44 -2.300 -4.361 -9.621 239 1HE2 GLN 44 1HE2 GLN 44 -3.761 -1.950 -8.997 240 2HE2 GLN 44 2HE2 GLN 44 -5.375 -2.386 -8.541 241 H GLU 45 H GLU 45 0.714 -5.007 -5.701 242 HA GLU 45 HA GLU 45 1.355 -2.307 -6.386 243 2HB GLU 45 2HB GLU 45 0.650 -3.295 -4.053 244 2HG GLU 45 2HG GLU 45 3.683 -3.654 -3.959 245 HE2 GLU 45 HE2 GLU 45 3.543 -2.328 -2.278 246 H PHE 46 H PHE 46 2.711 -5.305 -7.114 247 HA PHE 46 HA PHE 46 4.774 -6.210 -6.916 248 2HB PHE 46 2HB PHE 46 4.862 -5.439 -9.170 249 HD1 PHE 46 HD1 PHE 46 6.474 -2.317 -8.317 250 HD2 PHE 46 HD2 PHE 46 2.797 -4.083 -9.489 251 HE1 PHE 46 HE1 PHE 46 5.607 -0.062 -8.997 252 HE2 PHE 46 HE2 PHE 46 1.931 -1.827 -10.168 253 HZ PHE 46 HZ PHE 46 3.346 0.156 -9.915 254 H GLU 47 H GLU 47 5.095 -5.804 -4.563 255 HA GLU 47 HA GLU 47 6.100 -3.420 -3.622 256 2HB GLU 47 2HB GLU 47 6.505 -6.214 -2.461 257 2HG GLU 47 2HG GLU 47 6.044 -4.262 -0.453 258 HE2 GLU 47 HE2 GLU 47 9.036 -4.450 -1.831 259 H SER 48 H SER 48 7.691 -6.177 -5.195 260 HA SER 48 HA SER 48 9.883 -4.408 -5.630 261 2HB SER 48 2HB SER 48 10.313 -7.089 -4.242 262 HG SER 48 HG SER 48 12.617 -5.868 -4.346 263 H ALA 49 H ALA 49 10.517 -4.659 -7.782 264 HA ALA 49 HA ALA 49 10.015 -7.263 -9.017 265 1HB ALA 49 1HB ALA 49 10.527 -6.075 -11.121 266 2HB ALA 49 2HB ALA 49 9.236 -5.250 -10.215 267 3HB ALA 49 3HB ALA 49 10.892 -4.596 -10.199 268 H ALA 50 H ALA 50 12.311 -5.766 -7.115 269 HA ALA 50 HA ALA 50 14.613 -6.536 -8.700 270 1HB ALA 50 1HB ALA 50 14.362 -5.259 -5.946 271 2HB ALA 50 2HB ALA 50 15.867 -5.445 -6.878 272 3HB ALA 50 3HB ALA 50 14.571 -4.385 -7.482 273 H GLY 51 H GLY 51 12.698 -7.590 -5.876 274 1HA GLY 51 1HA GLY 51 14.045 -10.176 -6.038 275 2HA GLY 51 2HA GLY 51 14.138 -9.329 -4.506 276 H SER 52 H SER 52 12.920 -11.560 -4.064 277 HA SER 52 HA SER 52 10.207 -11.589 -4.869 278 2HB SER 52 2HB SER 52 10.061 -13.580 -3.363 279 HG SER 52 HG SER 52 10.953 -13.933 -5.470 280 H THR 53 H THR 53 9.759 -9.317 -4.021 281 HA THR 53 HA THR 53 9.048 -7.862 -2.487 282 HB THR 53 HB THR 53 7.179 -8.668 -1.256 283 HG1 THR 53 HG1 THR 53 7.308 -10.812 -0.320 284 1HG2 THR 53 1HG2 THR 53 7.628 -11.086 -3.058 285 2HG2 THR 53 2HG2 THR 53 6.085 -10.331 -2.596 286 3HG2 THR 53 3HG2 THR 53 7.174 -9.506 -3.737 287 H THR 54 H THR 54 8.753 -7.671 0.192 288 HA THR 54 HA THR 54 10.184 -6.813 1.735 289 HB THR 54 HB THR 54 9.326 -8.957 2.633 290 HG1 THR 54 HG1 THR 54 10.920 -7.873 3.921 291 1HG2 THR 54 1HG2 THR 54 10.159 -10.569 0.958 292 2HG2 THR 54 2HG2 THR 54 11.841 -10.112 1.318 293 3HG2 THR 54 3HG2 THR 54 10.869 -10.966 2.541 294 H LEU 55 H LEU 55 11.371 -6.293 -0.686 295 HA LEU 55 HA LEU 55 14.108 -6.263 0.142 296 2HB LEU 55 2HB LEU 55 13.478 -7.664 -2.455 297 HG LEU 55 HG LEU 55 16.006 -7.072 -0.957 298 1HD1 LEU 55 1HD1 LEU 55 17.146 -8.938 -2.105 299 2HD1 LEU 55 2HD1 LEU 55 15.948 -9.491 -0.912 300 3HD1 LEU 55 3HD1 LEU 55 15.565 -9.547 -2.650 301 1HD2 LEU 55 1HD2 LEU 55 16.868 -6.857 -3.301 302 2HD2 LEU 55 2HD2 LEU 55 15.207 -7.133 -3.876 303 3HD2 LEU 55 3HD2 LEU 55 15.577 -5.710 -2.871 304 H GLY 56 H GLY 56 13.861 -4.005 0.146 305 1HA GLY 56 1HA GLY 56 14.895 -2.572 -1.756 306 2HA GLY 56 2HA GLY 56 13.299 -2.760 -2.455 307 HA PRO 57 HA PRO 57 11.777 0.315 0.248 308 2HB PRO 57 2HB PRO 57 9.664 0.281 -0.668 309 2HG PRO 57 2HG PRO 57 9.086 -1.709 -1.680 310 2HD PRO 57 2HD PRO 57 11.173 -2.538 -2.173 311 H GLN 58 H GLN 58 11.034 0.991 2.421 312 HA GLN 58 HA GLN 58 11.291 0.865 4.577 313 2HB GLN 58 2HB GLN 58 10.362 -1.167 5.723 314 2HG GLN 58 2HG GLN 58 8.114 -1.144 4.500 315 1HE2 GLN 58 1HE2 GLN 58 9.209 1.993 3.659 316 2HE2 GLN 58 2HE2 GLN 58 8.690 2.844 5.076 Start of MODEL 4 1 1H ASP 1 1H ASP 1 -12.856 -3.330 -10.648 2 HA ASP 1 HA ASP 1 -11.466 -2.615 -12.304 3 2HB ASP 1 2HB ASP 1 -11.787 -0.222 -12.045 4 HD2 ASP 1 HD2 ASP 1 -9.704 0.540 -8.724 5 H GLN 2 H GLN 2 -11.045 -2.813 -8.827 6 HA GLN 2 HA GLN 2 -8.249 -3.099 -8.818 7 2HB GLN 2 2HB GLN 2 -9.446 -2.410 -6.804 8 2HG GLN 2 2HG GLN 2 -10.940 -4.981 -7.301 9 1HE2 GLN 2 1HE2 GLN 2 -11.053 -2.687 -4.620 10 2HE2 GLN 2 2HE2 GLN 2 -10.940 -3.839 -3.331 11 H ASN 3 H ASN 3 -7.075 -5.146 -8.185 12 HA ASN 3 HA ASN 3 -8.391 -7.400 -9.484 13 2HB ASN 3 2HB ASN 3 -5.388 -7.241 -9.087 14 1HD2 ASN 3 1HD2 ASN 3 -5.868 -9.550 -9.051 15 H CYS 4 H CYS 4 -7.828 -6.156 -6.496 16 HA CYS 4 HA CYS 4 -7.650 -8.540 -5.075 17 2HB CYS 4 2HB CYS 4 -5.477 -8.999 -5.549 18 H ASP 5 H ASP 5 -6.593 -5.075 -5.245 19 HA ASP 5 HA ASP 5 -8.406 -4.492 -3.124 20 2HB ASP 5 2HB ASP 5 -6.369 -3.124 -2.028 21 HD2 ASP 5 HD2 ASP 5 -4.804 -5.037 -0.841 22 H ILE 6 H ILE 6 -6.244 -3.145 -5.980 23 HA ILE 6 HA ILE 6 -4.537 -2.604 -4.079 24 HB ILE 6 HB ILE 6 -4.024 -2.233 -6.374 25 1HG2 ILE 6 1HG2 ILE 6 -5.663 0.308 -6.340 26 2HG2 ILE 6 2HG2 ILE 6 -4.872 -0.480 -7.727 27 3HG2 ILE 6 3HG2 ILE 6 -6.277 -1.249 -6.950 28 1HD1 ILE 6 1HD1 ILE 6 -2.067 -2.268 -5.038 29 2HD1 ILE 6 2HD1 ILE 6 -1.355 -0.756 -4.426 30 3HD1 ILE 6 3HD1 ILE 6 -2.703 -1.524 -3.552 31 H GLY 7 H GLY 7 -7.266 -0.368 -4.921 32 1HA GLY 7 1HA GLY 7 -6.209 1.606 -3.074 33 2HA GLY 7 2HA GLY 7 -7.547 1.787 -4.189 34 H ASN 8 H ASN 8 -6.857 -0.607 -1.537 35 HA ASN 8 HA ASN 8 -9.555 -0.124 -0.609 36 2HB ASN 8 2HB ASN 8 -7.499 -2.268 0.145 37 1HD2 ASN 8 1HD2 ASN 8 -7.829 -2.257 2.318 38 H ILE 9 H ILE 9 -6.149 -0.527 0.642 39 HA ILE 9 HA ILE 9 -6.971 0.563 3.195 40 HB ILE 9 HB ILE 9 -5.533 -1.493 2.874 41 1HG2 ILE 9 1HG2 ILE 9 -3.136 -1.156 2.540 42 2HG2 ILE 9 2HG2 ILE 9 -4.066 -0.622 1.119 43 3HG2 ILE 9 3HG2 ILE 9 -3.410 0.581 2.255 44 1HD1 ILE 9 1HD1 ILE 9 -5.755 -0.902 6.337 45 2HD1 ILE 9 2HD1 ILE 9 -6.842 0.057 5.305 46 3HD1 ILE 9 3HD1 ILE 9 -6.485 -1.636 4.890 47 H THR 10 H THR 10 -5.193 1.475 0.252 48 HA THR 10 HA THR 10 -3.661 3.500 1.564 49 HB THR 10 HB THR 10 -3.062 3.977 -0.905 50 HG1 THR 10 HG1 THR 10 -4.034 2.383 -2.351 51 1HG2 THR 10 1HG2 THR 10 -2.941 1.013 -0.157 52 2HG2 THR 10 2HG2 THR 10 -1.834 1.897 -1.234 53 3HG2 THR 10 3HG2 THR 10 -1.826 2.227 0.515 54 H SER 11 H SER 11 -6.806 3.358 -0.084 55 HA SER 11 HA SER 11 -6.791 5.822 -1.210 56 2HB SER 11 2HB SER 11 -9.142 4.293 -0.009 57 HG SER 11 HG SER 11 -9.941 6.333 -0.490 58 H GLN 12 H GLN 12 -7.641 4.853 2.153 59 HA GLN 12 HA GLN 12 -8.654 7.387 2.832 60 2HB GLN 12 2HB GLN 12 -7.623 5.188 4.677 61 2HG GLN 12 2HG GLN 12 -9.549 7.526 5.042 62 1HE2 GLN 12 1HE2 GLN 12 -10.406 7.680 7.221 63 2HE2 GLN 12 2HE2 GLN 12 -10.925 6.249 8.048 64 H CYS 13 H CYS 13 -5.471 5.729 3.191 65 HA CYS 13 HA CYS 13 -4.459 7.612 5.014 66 2HB CYS 13 2HB CYS 13 -2.228 6.555 4.328 67 H GLN 14 H GLN 14 -4.629 7.330 1.466 68 HA GLN 14 HA GLN 14 -2.547 9.039 0.848 69 2HB GLN 14 2HB GLN 14 -3.890 9.326 -1.351 70 2HG GLN 14 2HG GLN 14 -3.681 6.786 -1.851 71 1HE2 GLN 14 1HE2 GLN 14 -1.331 5.772 -1.709 72 2HE2 GLN 14 2HE2 GLN 14 -0.039 6.879 -2.028 73 H MET 15 H MET 15 -5.999 9.633 1.641 74 HA MET 15 HA MET 15 -5.744 12.423 1.120 75 2HB MET 15 2HB MET 15 -8.068 12.457 2.170 76 2HG MET 15 2HG MET 15 -9.126 10.829 0.508 77 1HE MET 15 1HE MET 15 -8.095 10.933 -2.415 78 2HE MET 15 2HE MET 15 -9.684 11.574 -1.930 79 3HE MET 15 3HE MET 15 -8.595 12.560 -2.936 80 H GLN 16 H GLN 16 -5.432 10.214 3.902 81 HA GLN 16 HA GLN 16 -6.065 12.088 5.849 82 2HB GLN 16 2HB GLN 16 -4.295 9.623 6.150 83 2HG GLN 16 2HG GLN 16 -4.492 11.247 8.118 84 1HE2 GLN 16 1HE2 GLN 16 -7.320 9.124 8.202 85 2HE2 GLN 16 2HE2 GLN 16 -8.495 10.322 8.633 86 H HIS 17 H HIS 17 -2.882 10.954 4.524 87 HA HIS 17 HA HIS 17 -1.611 13.298 5.604 88 2HB HIS 17 2HB HIS 17 -1.364 12.173 7.591 89 HD1 HIS 17 HD1 HIS 17 -1.750 10.112 9.006 90 HD2 HIS 17 HD2 HIS 17 -1.100 9.204 4.962 91 HE1 HIS 17 HE1 HIS 17 -2.212 7.615 8.751 92 H LYS 18 H LYS 18 -1.599 13.379 3.120 93 HA LYS 18 HA LYS 18 0.740 12.352 1.979 94 2HB LYS 18 2HB LYS 18 -1.173 10.827 0.515 95 2HG LYS 18 2HG LYS 18 0.324 8.935 1.501 96 2HD LYS 18 2HD LYS 18 2.039 11.084 0.263 97 2HE LYS 18 2HE LYS 18 2.749 9.212 -1.169 98 1HZ LYS 18 1HZ LYS 18 3.619 7.767 0.579 99 2HZ LYS 18 2HZ LYS 18 3.732 9.317 1.068 100 H ASN 19 H ASN 19 0.233 14.817 1.799 101 HA ASN 19 HA ASN 19 -1.861 15.682 0.247 102 2HB ASN 19 2HB ASN 19 -0.573 17.250 1.609 103 1HD2 ASN 19 1HD2 ASN 19 1.489 17.885 -1.018 104 H CYS 20 H CYS 20 1.246 14.194 -0.545 105 HA CYS 20 HA CYS 20 1.497 15.057 -3.185 106 2HB CYS 20 2HB CYS 20 2.387 12.458 -1.918 107 H GLU 21 H GLU 21 -0.303 12.374 -1.580 108 HA GLU 21 HA GLU 21 -1.955 11.128 -2.237 109 2HB GLU 21 2HB GLU 21 -2.551 13.143 -4.436 110 2HG GLU 21 2HG GLU 21 -4.360 11.536 -2.573 111 HE2 GLU 21 HE2 GLU 21 -6.215 11.230 -4.215 112 H ASP 22 H ASP 22 0.175 9.896 -3.052 113 HA ASP 22 HA ASP 22 -0.508 8.955 -5.673 114 2HB ASP 22 2HB ASP 22 2.027 9.067 -6.285 115 HD2 ASP 22 HD2 ASP 22 -0.094 11.430 -8.076 116 H ALA 23 H ALA 23 0.779 6.869 -6.143 117 HA ALA 23 HA ALA 23 1.716 5.651 -3.642 118 1HB ALA 23 1HB ALA 23 0.461 3.587 -4.361 119 2HB ALA 23 2HB ALA 23 -0.586 4.959 -3.925 120 3HB ALA 23 3HB ALA 23 -0.306 4.562 -5.638 121 H ASN 24 H ASN 24 3.258 6.871 -5.804 122 HA ASN 24 HA ASN 24 4.769 4.616 -6.614 123 2HB ASN 24 2HB ASN 24 3.196 4.399 -8.420 124 1HD2 ASN 24 1HD2 ASN 24 1.257 5.396 -8.105 125 H GLY 25 H GLY 25 5.257 6.979 -5.039 126 1HA GLY 25 1HA GLY 25 7.465 8.165 -6.388 127 2HA GLY 25 2HA GLY 25 6.095 9.256 -6.354 128 H CYS 26 H CYS 26 4.917 9.299 -4.032 129 HA CYS 26 HA CYS 26 7.118 10.335 -2.467 130 2HB CYS 26 2HB CYS 26 5.377 11.601 -1.276 131 H ASP 27 H ASP 27 7.287 7.629 -2.204 132 HA ASP 27 HA ASP 27 5.019 6.629 -0.792 133 2HB ASP 27 2HB ASP 27 5.881 5.267 -2.591 134 HD2 ASP 27 HD2 ASP 27 7.564 3.408 -2.513 135 H THR 28 H THR 28 5.804 8.142 1.136 136 HA THR 28 HA THR 28 7.891 6.768 2.692 137 HB THR 28 HB THR 28 6.869 9.649 2.618 138 HG1 THR 28 HG1 THR 28 9.024 9.898 1.822 139 1HG2 THR 28 1HG2 THR 28 7.396 9.046 4.986 140 2HG2 THR 28 2HG2 THR 28 8.948 8.352 4.459 141 3HG2 THR 28 3HG2 THR 28 8.659 10.102 4.308 142 H ILE 29 H ILE 29 4.767 8.570 3.150 143 HA ILE 29 HA ILE 29 4.581 7.446 5.784 144 HB ILE 29 HB ILE 29 3.175 9.515 4.184 145 1HG2 ILE 29 1HG2 ILE 29 1.244 8.318 4.826 146 2HG2 ILE 29 2HG2 ILE 29 1.891 7.984 6.451 147 3HG2 ILE 29 3HG2 ILE 29 1.413 9.640 6.006 148 1HD1 ILE 29 1HD1 ILE 29 4.025 8.368 7.603 149 2HD1 ILE 29 2HD1 ILE 29 4.620 9.951 8.159 150 3HD1 ILE 29 3HD1 ILE 29 2.880 9.705 7.877 151 H ILE 30 H ILE 30 3.195 6.912 2.544 152 HA ILE 30 HA ILE 30 1.010 5.367 3.429 153 HB ILE 30 HB ILE 30 1.394 6.586 1.209 154 1HG2 ILE 30 1HG2 ILE 30 3.579 5.409 0.763 155 2HG2 ILE 30 2HG2 ILE 30 2.631 3.947 0.402 156 3HG2 ILE 30 3HG2 ILE 30 2.415 5.412 -0.585 157 1HD1 ILE 30 1HD1 ILE 30 -0.934 6.705 0.974 158 2HD1 ILE 30 2HD1 ILE 30 -1.938 5.266 1.269 159 3HD1 ILE 30 3HD1 ILE 30 -0.930 5.931 2.577 160 H GLU 31 H GLU 31 4.420 4.779 3.293 161 HA GLU 31 HA GLU 31 4.602 2.289 2.292 162 2HB GLU 31 2HB GLU 31 6.134 3.452 4.660 163 2HG GLU 31 2HG GLU 31 6.842 1.200 2.717 164 HE2 GLU 31 HE2 GLU 31 8.495 2.593 2.256 165 H GLU 32 H GLU 32 3.826 3.217 5.708 166 HA GLU 32 HA GLU 32 3.794 0.498 6.505 167 2HB GLU 32 2HB GLU 32 4.452 2.461 7.972 168 2HG GLU 32 2HG GLU 32 1.437 2.825 8.258 169 HE2 GLU 32 HE2 GLU 32 2.678 4.192 11.233 170 H CYS 33 H CYS 33 1.441 2.897 5.370 171 HA CYS 33 HA CYS 33 -0.834 1.468 6.276 172 2HB CYS 33 2HB CYS 33 -0.730 3.478 4.027 173 H LYS 34 H LYS 34 1.478 1.157 3.660 174 HA LYS 34 HA LYS 34 -0.528 0.149 1.815 175 2HB LYS 34 2HB LYS 34 2.374 0.949 1.460 176 2HG LYS 34 2HG LYS 34 0.296 -0.054 -0.542 177 2HD LYS 34 2HD LYS 34 2.449 0.290 -2.076 178 2HE LYS 34 2HE LYS 34 1.646 2.737 -2.468 179 1HZ LYS 34 1HZ LYS 34 -0.276 0.473 -2.531 180 2HZ LYS 34 2HZ LYS 34 -0.515 1.883 -3.308 181 H THR 35 H THR 35 2.822 -0.856 2.864 182 HA THR 35 HA THR 35 2.668 -3.218 1.406 183 HB THR 35 HB THR 35 4.396 -2.253 3.735 184 HG1 THR 35 HG1 THR 35 4.456 -1.240 1.554 185 1HG2 THR 35 1HG2 THR 35 4.726 -4.711 1.934 186 2HG2 THR 35 2HG2 THR 35 6.019 -4.025 2.947 187 3HG2 THR 35 3HG2 THR 35 4.568 -4.723 3.707 188 H SER 36 H SER 36 1.490 -2.428 4.644 189 HA SER 36 HA SER 36 1.422 -4.863 5.793 190 2HB SER 36 2HB SER 36 -0.710 -4.029 6.931 191 HG SER 36 HG SER 36 0.952 -1.766 6.957 192 H MET 37 H MET 37 -1.265 -3.412 3.789 193 HA MET 37 HA MET 37 -2.485 -6.037 3.819 194 2HB MET 37 2HB MET 37 -4.492 -4.683 2.936 195 2HG MET 37 2HG MET 37 -4.770 -3.328 5.100 196 1HE MET 37 1HE MET 37 -3.421 -5.231 7.555 197 2HE MET 37 2HE MET 37 -3.693 -6.973 7.310 198 3HE MET 37 3HE MET 37 -2.456 -6.123 6.353 199 H VAL 38 H VAL 38 -0.703 -3.892 1.742 200 HA VAL 38 HA VAL 38 -1.952 -4.854 -0.681 201 HB VAL 38 HB VAL 38 0.281 -2.909 -0.087 202 1HG1 VAL 38 1HG1 VAL 38 -0.038 -2.302 -2.567 203 2HG1 VAL 38 2HG1 VAL 38 0.890 -3.773 -2.189 204 3HG1 VAL 38 3HG1 VAL 38 -0.801 -3.902 -2.729 205 1HG2 VAL 38 1HG2 VAL 38 -1.823 -1.980 0.525 206 2HG2 VAL 38 2HG2 VAL 38 -1.408 -1.283 -1.059 207 3HG2 VAL 38 3HG2 VAL 38 -2.607 -2.594 -0.951 208 H GLU 39 H GLU 39 0.362 -5.995 1.522 209 HA GLU 39 HA GLU 39 2.251 -7.194 0.036 210 2HB GLU 39 2HB GLU 39 0.743 -8.839 2.072 211 2HG GLU 39 2HG GLU 39 2.994 -9.485 0.928 212 HE2 GLU 39 HE2 GLU 39 5.302 -6.875 1.045 213 H ARG 40 H ARG 40 -1.186 -8.248 0.457 214 HA ARG 40 HA ARG 40 -0.738 -10.577 -1.075 215 2HB ARG 40 2HB ARG 40 -2.456 -10.455 0.737 216 2HG ARG 40 2HG ARG 40 -3.152 -8.018 -0.476 217 2HD ARG 40 2HD ARG 40 -4.509 -9.424 -2.131 218 HE ARG 40 HE ARG 40 -5.403 -10.749 0.189 219 1HH1 ARG 40 1HH1 ARG 40 -6.920 -9.115 -2.564 220 2HH1 ARG 40 2HH1 ARG 40 -8.322 -10.132 -2.554 221 2HH2 ARG 40 2HH2 ARG 40 -8.507 -11.860 -0.904 222 H CYS 41 H CYS 41 -1.412 -7.243 -1.761 223 HA CYS 41 HA CYS 41 -2.608 -7.936 -4.337 224 2HB CYS 41 2HB CYS 41 -2.563 -5.239 -2.972 225 H GLN 42 H GLN 42 0.334 -8.020 -3.358 226 HA GLN 42 HA GLN 42 1.813 -6.060 -4.499 227 2HB GLN 42 2HB GLN 42 2.404 -9.048 -4.654 228 2HG GLN 42 2HG GLN 42 4.237 -6.610 -4.459 229 1HE2 GLN 42 1HE2 GLN 42 6.478 -7.206 -4.889 230 2HE2 GLN 42 2HE2 GLN 42 7.108 -8.727 -4.353 231 H ASN 43 H ASN 43 -0.198 -8.518 -6.054 232 HA ASN 43 HA ASN 43 0.789 -8.758 -8.503 233 2HB ASN 43 2HB ASN 43 -2.119 -8.095 -7.794 234 1HD2 ASN 43 1HD2 ASN 43 -0.466 -10.534 -9.756 235 H GLN 44 H GLN 44 -1.138 -5.957 -7.206 236 HA GLN 44 HA GLN 44 -1.084 -4.717 -9.784 237 2HB GLN 44 2HB GLN 44 -2.351 -2.875 -8.384 238 2HG GLN 44 2HG GLN 44 -3.594 -5.654 -8.586 239 1HE2 GLN 44 1HE2 GLN 44 -4.464 -2.658 -10.158 240 2HE2 GLN 44 2HE2 GLN 44 -5.941 -2.356 -9.306 241 H GLU 45 H GLU 45 0.202 -4.088 -6.454 242 HA GLU 45 HA GLU 45 1.087 -1.519 -7.175 243 2HB GLU 45 2HB GLU 45 1.722 -3.270 -4.759 244 2HG GLU 45 2HG GLU 45 3.421 -1.456 -5.103 245 HE2 GLU 45 HE2 GLU 45 2.557 1.905 -5.628 246 H PHE 46 H PHE 46 2.469 -4.758 -7.460 247 HA PHE 46 HA PHE 46 4.512 -5.581 -7.299 248 2HB PHE 46 2HB PHE 46 5.446 -2.918 -8.493 249 HD1 PHE 46 HD1 PHE 46 7.665 -2.995 -9.070 250 HD2 PHE 46 HD2 PHE 46 5.444 -6.611 -9.105 251 HE1 PHE 46 HE1 PHE 46 9.726 -4.254 -9.754 252 HE2 PHE 46 HE2 PHE 46 7.505 -7.870 -9.789 253 HZ PHE 46 HZ PHE 46 9.621 -6.677 -10.105 254 H GLU 47 H GLU 47 3.728 -4.422 -4.891 255 HA GLU 47 HA GLU 47 5.435 -2.619 -3.787 256 2HB GLU 47 2HB GLU 47 4.284 -5.125 -2.482 257 2HG GLU 47 2HG GLU 47 6.028 -3.980 -1.101 258 HE2 GLU 47 HE2 GLU 47 6.107 -2.102 0.382 259 H SER 48 H SER 48 7.484 -2.709 -2.743 260 HA SER 48 HA SER 48 9.251 -4.519 -3.930 261 2HB SER 48 2HB SER 48 9.571 -2.536 -1.640 262 HG SER 48 HG SER 48 11.301 -3.953 -1.389 263 H ALA 49 H ALA 49 8.370 -6.644 -3.312 264 HA ALA 49 HA ALA 49 9.758 -7.471 -0.904 265 1HB ALA 49 1HB ALA 49 7.472 -7.133 -0.107 266 2HB ALA 49 2HB ALA 49 6.830 -8.101 -1.457 267 3HB ALA 49 3HB ALA 49 7.822 -8.877 -0.198 268 H ALA 50 H ALA 50 10.710 -9.508 -1.138 269 HA ALA 50 HA ALA 50 9.905 -11.209 -3.307 270 1HB ALA 50 1HB ALA 50 12.608 -9.807 -3.362 271 2HB ALA 50 2HB ALA 50 12.099 -11.120 -4.451 272 3HB ALA 50 3HB ALA 50 11.269 -9.546 -4.506 273 H GLY 51 H GLY 51 9.847 -11.535 -0.498 274 1HA GLY 51 1HA GLY 51 12.090 -13.090 0.345 275 2HA GLY 51 2HA GLY 51 10.500 -13.022 1.076 276 H SER 52 H SER 52 8.758 -13.883 -0.897 277 HA SER 52 HA SER 52 9.932 -16.005 -2.382 278 2HB SER 52 2HB SER 52 7.826 -16.670 -0.277 279 HG SER 52 HG SER 52 8.169 -18.846 -0.988 280 H THR 53 H THR 53 8.873 -13.764 -3.443 281 HA THR 53 HA THR 53 6.353 -14.589 -4.584 282 HB THR 53 HB THR 53 5.590 -13.553 -2.479 283 HG1 THR 53 HG1 THR 53 4.646 -11.549 -3.668 284 1HG2 THR 53 1HG2 THR 53 6.117 -11.214 -1.946 285 2HG2 THR 53 2HG2 THR 53 7.651 -12.106 -2.083 286 3HG2 THR 53 3HG2 THR 53 7.105 -11.062 -3.418 287 H THR 54 H THR 54 5.910 -13.597 -6.566 288 HA THR 54 HA THR 54 6.148 -12.221 -8.301 289 HB THR 54 HB THR 54 6.741 -10.633 -6.017 290 HG1 THR 54 HG1 THR 54 5.946 -9.060 -7.561 291 1HG2 THR 54 1HG2 THR 54 9.156 -10.610 -6.836 292 2HG2 THR 54 2HG2 THR 54 8.564 -9.957 -8.383 293 3HG2 THR 54 3HG2 THR 54 8.369 -9.014 -6.886 294 H LEU 55 H LEU 55 7.436 -12.083 -10.137 295 HA LEU 55 HA LEU 55 10.054 -13.319 -9.863 296 2HB LEU 55 2HB LEU 55 8.809 -12.473 -12.453 297 HG LEU 55 HG LEU 55 10.448 -14.895 -11.654 298 1HD1 LEU 55 1HD1 LEU 55 9.288 -14.148 -14.353 299 2HD1 LEU 55 2HD1 LEU 55 10.397 -15.502 -14.029 300 3HD1 LEU 55 3HD1 LEU 55 8.767 -15.497 -13.314 301 1HD2 LEU 55 1HD2 LEU 55 11.875 -12.990 -11.783 302 2HD2 LEU 55 2HD2 LEU 55 12.100 -13.929 -13.278 303 3HD2 LEU 55 3HD2 LEU 55 11.117 -12.444 -13.298 304 H GLY 56 H GLY 56 11.152 -11.583 -8.748 305 1HA GLY 56 1HA GLY 56 12.267 -9.485 -10.161 306 2HA GLY 56 2HA GLY 56 10.740 -8.884 -9.545 307 HA PRO 57 HA PRO 57 13.752 -9.823 -5.971 308 2HB PRO 57 2HB PRO 57 15.632 -11.042 -6.503 309 2HG PRO 57 2HG PRO 57 16.089 -11.170 -8.761 310 2HD PRO 57 2HD PRO 57 13.990 -10.809 -9.624 311 H GLN 58 H GLN 58 12.392 -7.850 -5.786 312 HA GLN 58 HA GLN 58 13.609 -5.437 -6.520 313 2HB GLN 58 2HB GLN 58 11.734 -4.435 -5.102 314 2HG GLN 58 2HG GLN 58 11.080 -6.574 -7.181 315 1HE2 GLN 58 1HE2 GLN 58 9.876 -3.316 -6.596 316 2HE2 GLN 58 2HE2 GLN 58 8.210 -3.721 -6.353 Start of MODEL 5 1 1H ASP 1 1H ASP 1 -0.902 -8.294 -11.298 2 HA ASP 1 HA ASP 1 -1.828 -6.794 -12.558 3 2HB ASP 1 2HB ASP 1 -2.837 -7.451 -14.750 4 HD2 ASP 1 HD2 ASP 1 -0.782 -6.539 -14.665 5 H GLN 2 H GLN 2 -3.741 -9.522 -11.406 6 HA GLN 2 HA GLN 2 -5.967 -7.708 -11.040 7 2HB GLN 2 2HB GLN 2 -7.542 -9.641 -11.647 8 2HG GLN 2 2HG GLN 2 -5.762 -8.634 -13.914 9 1HE2 GLN 2 1HE2 GLN 2 -9.208 -8.423 -13.210 10 2HE2 GLN 2 2HE2 GLN 2 -9.777 -9.384 -14.534 11 H ASN 3 H ASN 3 -6.656 -7.761 -8.935 12 HA ASN 3 HA ASN 3 -6.916 -10.231 -7.618 13 2HB ASN 3 2HB ASN 3 -4.823 -8.265 -6.545 14 1HD2 ASN 3 1HD2 ASN 3 -4.849 -11.693 -6.104 15 H CYS 4 H CYS 4 -6.397 -6.653 -7.170 16 HA CYS 4 HA CYS 4 -8.995 -6.378 -6.005 17 2HB CYS 4 2HB CYS 4 -7.288 -7.170 -4.172 18 H ASP 5 H ASP 5 -9.649 -4.133 -6.073 19 HA ASP 5 HA ASP 5 -8.177 -2.417 -7.689 20 2HB ASP 5 2HB ASP 5 -9.763 -0.657 -6.753 21 HD2 ASP 5 HD2 ASP 5 -12.073 -0.868 -6.897 22 H ILE 6 H ILE 6 -6.027 -2.090 -6.876 23 HA ILE 6 HA ILE 6 -5.279 -1.771 -4.270 24 HB ILE 6 HB ILE 6 -3.347 -0.495 -5.216 25 1HG2 ILE 6 1HG2 ILE 6 -2.450 -2.405 -6.455 26 2HG2 ILE 6 2HG2 ILE 6 -3.325 -2.928 -4.997 27 3HG2 ILE 6 3HG2 ILE 6 -4.086 -3.089 -6.597 28 1HD1 ILE 6 1HD1 ILE 6 -2.479 0.978 -6.811 29 2HD1 ILE 6 2HD1 ILE 6 -2.037 -0.515 -7.672 30 3HD1 ILE 6 3HD1 ILE 6 -2.893 0.788 -8.531 31 H GLY 7 H GLY 7 -4.877 0.092 -2.892 32 1HA GLY 7 1HA GLY 7 -5.567 2.236 -2.188 33 2HA GLY 7 2HA GLY 7 -6.782 2.266 -3.452 34 H ASN 8 H ASN 8 -6.228 -0.681 -1.534 35 HA ASN 8 HA ASN 8 -8.990 -0.573 -0.816 36 2HB ASN 8 2HB ASN 8 -8.092 -2.715 -1.588 37 1HD2 ASN 8 1HD2 ASN 8 -7.106 -4.501 0.570 38 H ILE 9 H ILE 9 -5.721 -0.640 0.752 39 HA ILE 9 HA ILE 9 -7.010 0.288 3.219 40 HB ILE 9 HB ILE 9 -5.734 -1.694 3.572 41 1HG2 ILE 9 1HG2 ILE 9 -3.542 -0.260 2.070 42 2HG2 ILE 9 2HG2 ILE 9 -3.227 -1.656 3.128 43 3HG2 ILE 9 3HG2 ILE 9 -4.294 -1.833 1.714 44 1HD1 ILE 9 1HD1 ILE 9 -6.517 0.893 5.315 45 2HD1 ILE 9 2HD1 ILE 9 -6.620 -0.866 5.574 46 3HD1 ILE 9 3HD1 ILE 9 -5.632 0.138 6.661 47 H THR 10 H THR 10 -4.732 1.052 0.584 48 HA THR 10 HA THR 10 -3.274 2.962 2.090 49 HB THR 10 HB THR 10 -2.588 3.481 -0.467 50 HG1 THR 10 HG1 THR 10 -3.226 1.607 -1.732 51 1HG2 THR 10 1HG2 THR 10 -2.082 0.689 0.672 52 2HG2 THR 10 2HG2 THR 10 -1.033 1.617 -0.428 53 3HG2 THR 10 3HG2 THR 10 -1.228 2.134 1.263 54 H SER 11 H SER 11 -6.174 3.110 0.038 55 HA SER 11 HA SER 11 -6.062 5.714 -0.706 56 2HB SER 11 2HB SER 11 -8.463 3.998 0.049 57 HG SER 11 HG SER 11 -9.328 6.049 -0.026 58 H GLN 12 H GLN 12 -6.990 4.275 2.438 59 HA GLN 12 HA GLN 12 -8.306 6.529 3.412 60 2HB GLN 12 2HB GLN 12 -6.905 4.325 4.990 61 2HG GLN 12 2HG GLN 12 -9.126 6.309 5.640 62 1HE2 GLN 12 1HE2 GLN 12 -7.169 4.003 7.481 63 2HE2 GLN 12 2HE2 GLN 12 -8.473 3.147 8.235 64 H CYS 13 H CYS 13 -4.885 5.496 3.375 65 HA CYS 13 HA CYS 13 -4.137 7.506 5.282 66 2HB CYS 13 2HB CYS 13 -1.840 6.702 4.854 67 H GLN 14 H GLN 14 -4.252 6.967 1.752 68 HA GLN 14 HA GLN 14 -2.342 8.879 1.088 69 2HB GLN 14 2HB GLN 14 -3.539 8.733 -1.215 70 2HG GLN 14 2HG GLN 14 -2.460 6.297 0.266 71 1HE2 GLN 14 1HE2 GLN 14 -1.444 6.913 -2.886 72 2HE2 GLN 14 2HE2 GLN 14 -2.306 5.664 -3.720 73 H MET 15 H MET 15 -5.956 8.990 1.283 74 HA MET 15 HA MET 15 -6.094 11.597 0.261 75 2HB MET 15 2HB MET 15 -7.947 9.840 0.276 76 2HG MET 15 2HG MET 15 -8.416 10.719 3.154 77 1HE MET 15 1HE MET 15 -10.858 10.982 2.975 78 2HE MET 15 2HE MET 15 -10.746 10.958 1.198 79 3HE MET 15 3HE MET 15 -11.960 9.954 2.027 80 H GLN 16 H GLN 16 -5.294 10.298 3.392 81 HA GLN 16 HA GLN 16 -6.365 12.512 4.836 82 2HB GLN 16 2HB GLN 16 -4.913 11.289 6.712 83 2HG GLN 16 2HG GLN 16 -7.389 10.104 5.375 84 1HE2 GLN 16 1HE2 GLN 16 -8.797 9.110 7.101 85 2HE2 GLN 16 2HE2 GLN 16 -8.050 8.027 8.230 86 H HIS 17 H HIS 17 -2.993 11.187 4.279 87 HA HIS 17 HA HIS 17 -2.003 13.809 5.078 88 2HB HIS 17 2HB HIS 17 -1.962 12.896 7.180 89 HD1 HIS 17 HD1 HIS 17 -2.687 10.990 8.631 90 HD2 HIS 17 HD2 HIS 17 -0.988 9.679 5.026 91 HE1 HIS 17 HE1 HIS 17 -2.943 8.453 8.602 92 H LYS 18 H LYS 18 -1.855 13.328 2.515 93 HA LYS 18 HA LYS 18 0.985 12.669 2.240 94 2HB LYS 18 2HB LYS 18 0.267 11.928 -0.166 95 2HG LYS 18 2HG LYS 18 -0.470 10.063 2.123 96 2HD LYS 18 2HD LYS 18 -0.518 9.410 -0.411 97 2HE LYS 18 2HE LYS 18 2.038 10.503 -0.379 98 1HZ LYS 18 1HZ LYS 18 2.660 8.369 0.875 99 2HZ LYS 18 2HZ LYS 18 2.425 7.577 -0.527 100 H ASN 19 H ASN 19 2.173 14.114 0.960 101 HA ASN 19 HA ASN 19 0.993 16.596 0.416 102 2HB ASN 19 2HB ASN 19 3.579 15.428 -0.738 103 1HD2 ASN 19 1HD2 ASN 19 2.659 18.365 1.011 104 H CYS 20 H CYS 20 1.686 13.591 -1.424 105 HA CYS 20 HA CYS 20 -0.223 14.544 -3.388 106 2HB CYS 20 2HB CYS 20 2.040 15.009 -4.312 107 H GLU 21 H GLU 21 -1.698 12.895 -3.859 108 HA GLU 21 HA GLU 21 -1.737 10.844 -2.010 109 2HB GLU 21 2HB GLU 21 -3.608 9.989 -3.736 110 2HG GLU 21 2HG GLU 21 -4.097 10.993 -1.529 111 HE2 GLU 21 HE2 GLU 21 -3.580 12.495 -0.279 112 H ASP 22 H ASP 22 -0.310 11.070 -5.222 113 HA ASP 22 HA ASP 22 -0.703 8.588 -6.192 114 2HB ASP 22 2HB ASP 22 1.360 8.943 -7.517 115 HD2 ASP 22 HD2 ASP 22 -0.564 12.471 -7.625 116 H ALA 23 H ALA 23 0.223 6.516 -5.806 117 HA ALA 23 HA ALA 23 1.264 6.149 -3.224 118 1HB ALA 23 1HB ALA 23 -0.146 4.488 -4.287 119 2HB ALA 23 2HB ALA 23 1.005 4.307 -5.633 120 3HB ALA 23 3HB ALA 23 1.453 3.762 -3.998 121 H ASN 24 H ASN 24 2.730 6.298 -6.502 122 HA ASN 24 HA ASN 24 5.180 5.236 -5.531 123 2HB ASN 24 2HB ASN 24 4.484 4.765 -7.845 124 1HD2 ASN 24 1HD2 ASN 24 2.618 5.584 -8.627 125 H GLY 25 H GLY 25 3.627 8.353 -5.716 126 1HA GLY 25 1HA GLY 25 5.861 9.870 -6.664 127 2HA GLY 25 2HA GLY 25 4.317 10.474 -6.097 128 H CYS 26 H CYS 26 3.965 10.092 -3.557 129 HA CYS 26 HA CYS 26 6.338 11.400 -2.461 130 2HB CYS 26 2HB CYS 26 4.771 12.457 -0.867 131 H ASP 27 H ASP 27 6.675 8.712 -2.448 132 HA ASP 27 HA ASP 27 5.003 7.367 -0.643 133 2HB ASP 27 2HB ASP 27 5.933 6.067 -2.410 134 HD2 ASP 27 HD2 ASP 27 8.967 7.816 -3.391 135 H THR 28 H THR 28 5.207 8.188 1.515 136 HA THR 28 HA THR 28 7.689 7.316 2.787 137 HB THR 28 HB THR 28 6.369 10.063 3.064 138 HG1 THR 28 HG1 THR 28 9.043 8.995 2.480 139 1HG2 THR 28 1HG2 THR 28 7.027 9.339 5.331 140 2HG2 THR 28 2HG2 THR 28 8.582 8.732 4.713 141 3HG2 THR 28 3HG2 THR 28 8.247 10.480 4.716 142 H ILE 29 H ILE 29 4.431 8.756 3.503 143 HA ILE 29 HA ILE 29 4.296 7.322 5.949 144 HB ILE 29 HB ILE 29 3.266 9.569 5.355 145 1HG2 ILE 29 1HG2 ILE 29 1.126 9.645 4.321 146 2HG2 ILE 29 2HG2 ILE 29 2.198 8.727 3.238 147 3HG2 ILE 29 3HG2 ILE 29 1.017 7.870 4.256 148 1HD1 ILE 29 1HD1 ILE 29 2.488 8.835 8.767 149 2HD1 ILE 29 2HD1 ILE 29 3.885 8.212 7.856 150 3HD1 ILE 29 3HD1 ILE 29 3.346 9.893 7.621 151 H ILE 30 H ILE 30 3.368 6.700 2.586 152 HA ILE 30 HA ILE 30 1.183 5.032 3.178 153 HB ILE 30 HB ILE 30 1.709 6.310 1.051 154 1HG2 ILE 30 1HG2 ILE 30 3.052 5.305 -0.634 155 2HG2 ILE 30 2HG2 ILE 30 4.038 5.376 0.846 156 3HG2 ILE 30 3HG2 ILE 30 3.300 3.837 0.341 157 1HD1 ILE 30 1HD1 ILE 30 -0.590 4.394 -1.025 158 2HD1 ILE 30 2HD1 ILE 30 0.364 5.890 -0.889 159 3HD1 ILE 30 3HD1 ILE 30 1.152 4.376 -1.396 160 H GLU 31 H GLU 31 4.626 4.585 3.364 161 HA GLU 31 HA GLU 31 4.891 2.035 2.438 162 2HB GLU 31 2HB GLU 31 6.380 3.442 4.697 163 2HG GLU 31 2HG GLU 31 7.081 0.953 3.069 164 HE2 GLU 31 HE2 GLU 31 10.435 1.464 3.695 165 H GLU 32 H GLU 32 3.836 3.215 5.669 166 HA GLU 32 HA GLU 32 3.987 0.600 6.774 167 2HB GLU 32 2HB GLU 32 4.381 2.790 8.031 168 2HG GLU 32 2HG GLU 32 1.405 2.887 8.486 169 HE2 GLU 32 HE2 GLU 32 3.357 5.217 7.186 170 H CYS 33 H CYS 33 1.611 2.553 5.082 171 HA CYS 33 HA CYS 33 -0.629 1.145 6.191 172 2HB CYS 33 2HB CYS 33 -1.884 2.471 4.420 173 H LYS 34 H LYS 34 1.663 0.869 3.526 174 HA LYS 34 HA LYS 34 -0.257 -0.302 1.733 175 2HB LYS 34 2HB LYS 34 2.720 0.204 1.451 176 2HG LYS 34 2HG LYS 34 0.588 -0.448 -0.639 177 2HD LYS 34 2HD LYS 34 2.674 -0.636 -2.114 178 2HE LYS 34 2HE LYS 34 2.786 1.747 -2.577 179 1HZ LYS 34 1HZ LYS 34 0.394 2.318 -2.427 180 2HZ LYS 34 2HZ LYS 34 0.607 0.811 -3.008 181 H THR 35 H THR 35 3.025 -1.464 2.849 182 HA THR 35 HA THR 35 2.501 -3.903 1.542 183 HB THR 35 HB THR 35 4.671 -3.261 3.601 184 HG1 THR 35 HG1 THR 35 5.107 -1.696 2.094 185 1HG2 THR 35 1HG2 THR 35 6.061 -4.670 2.094 186 2HG2 THR 35 2HG2 THR 35 4.665 -5.603 2.687 187 3HG2 THR 35 3HG2 THR 35 4.655 -4.937 1.036 188 H SER 36 H SER 36 1.740 -2.749 4.751 189 HA SER 36 HA SER 36 1.537 -5.046 6.152 190 2HB SER 36 2HB SER 36 -0.541 -3.954 7.191 191 HG SER 36 HG SER 36 1.158 -1.789 7.149 192 H MET 37 H MET 37 -1.098 -3.638 4.038 193 HA MET 37 HA MET 37 -2.423 -6.209 4.366 194 2HB MET 37 2HB MET 37 -4.187 -4.189 3.304 195 2HG MET 37 2HG MET 37 -3.826 -5.457 6.053 196 1HE MET 37 1HE MET 37 -3.658 -2.764 6.804 197 2HE MET 37 2HE MET 37 -5.114 -2.356 7.741 198 3HE MET 37 3HE MET 37 -4.324 -3.934 7.967 199 H VAL 38 H VAL 38 -0.670 -4.377 2.103 200 HA VAL 38 HA VAL 38 -2.396 -5.034 -0.143 201 HB VAL 38 HB VAL 38 0.090 -3.341 0.156 202 1HG1 VAL 38 1HG1 VAL 38 -0.601 -2.561 -2.206 203 2HG1 VAL 38 2HG1 VAL 38 0.250 -4.118 -2.052 204 3HG1 VAL 38 3HG1 VAL 38 -1.514 -4.088 -2.291 205 1HG2 VAL 38 1HG2 VAL 38 -1.453 -1.467 -0.294 206 2HG2 VAL 38 2HG2 VAL 38 -2.818 -2.610 -0.333 207 3HG2 VAL 38 3HG2 VAL 38 -1.904 -2.365 1.175 208 H GLU 39 H GLU 39 0.053 -6.492 1.668 209 HA GLU 39 HA GLU 39 1.768 -7.479 -0.211 210 2HB GLU 39 2HB GLU 39 0.774 -9.126 2.140 211 2HG GLU 39 2HG GLU 39 2.620 -9.913 0.480 212 HE2 GLU 39 HE2 GLU 39 4.902 -7.307 -0.077 213 H ARG 40 H ARG 40 -1.506 -8.613 0.755 214 HA ARG 40 HA ARG 40 -1.419 -10.959 -0.729 215 2HB ARG 40 2HB ARG 40 -3.759 -9.206 0.167 216 2HG ARG 40 2HG ARG 40 -4.710 -11.805 -0.060 217 2HD ARG 40 2HD ARG 40 -5.840 -10.923 -2.189 218 HE ARG 40 HE ARG 40 -6.100 -9.892 0.483 219 1HH1 ARG 40 1HH1 ARG 40 -7.069 -9.126 -2.838 220 2HH1 ARG 40 2HH1 ARG 40 -8.535 -8.337 -2.360 221 2HH2 ARG 40 2HH2 ARG 40 -9.034 -8.103 -0.027 222 H CYS 41 H CYS 41 -2.055 -7.556 -1.547 223 HA CYS 41 HA CYS 41 -3.302 -8.361 -4.053 224 2HB CYS 41 2HB CYS 41 -3.150 -5.601 -2.830 225 H GLN 42 H GLN 42 -0.311 -8.428 -3.223 226 HA GLN 42 HA GLN 42 0.927 -6.232 -4.411 227 2HB GLN 42 2HB GLN 42 2.145 -8.992 -3.998 228 2HG GLN 42 2HG GLN 42 3.804 -6.775 -3.211 229 1HE2 GLN 42 1HE2 GLN 42 3.577 -7.803 -6.540 230 2HE2 GLN 42 2HE2 GLN 42 4.888 -8.935 -6.541 231 H ASN 43 H ASN 43 -0.702 -8.939 -5.760 232 HA ASN 43 HA ASN 43 0.751 -9.478 -8.002 233 2HB ASN 43 2HB ASN 43 -2.293 -9.195 -7.964 234 1HD2 ASN 43 1HD2 ASN 43 -3.325 -10.757 -9.272 235 H GLN 44 H GLN 44 -1.249 -6.676 -7.094 236 HA GLN 44 HA GLN 44 -1.011 -5.646 -9.804 237 2HB GLN 44 2HB GLN 44 -2.674 -3.868 -8.649 238 2HG GLN 44 2HG GLN 44 -3.419 -6.684 -9.571 239 1HE2 GLN 44 1HE2 GLN 44 -4.625 -3.359 -9.932 240 2HE2 GLN 44 2HE2 GLN 44 -6.228 -3.632 -9.336 241 H GLU 45 H GLU 45 -0.827 -4.518 -6.346 242 HA GLU 45 HA GLU 45 0.463 -2.169 -6.832 243 2HB GLU 45 2HB GLU 45 0.687 -4.081 -4.470 244 2HG GLU 45 2HG GLU 45 2.615 -2.509 -4.479 245 HE2 GLU 45 HE2 GLU 45 3.326 -0.513 -4.880 246 H PHE 46 H PHE 46 2.710 -1.508 -6.794 247 HA PHE 46 HA PHE 46 4.460 -3.655 -7.733 248 2HB PHE 46 2HB PHE 46 4.364 -1.886 -9.339 249 HD1 PHE 46 HD1 PHE 46 2.277 -0.638 -9.110 250 HD2 PHE 46 HD2 PHE 46 5.740 0.478 -6.924 251 HE1 PHE 46 HE1 PHE 46 1.238 1.589 -8.601 252 HE2 PHE 46 HE2 PHE 46 4.700 2.705 -6.415 253 HZ PHE 46 HZ PHE 46 2.462 3.234 -7.260 254 H GLU 47 H GLU 47 4.482 -4.154 -5.225 255 HA GLU 47 HA GLU 47 5.681 -2.416 -3.479 256 2HB GLU 47 2HB GLU 47 5.806 -5.464 -3.496 257 2HG GLU 47 2HG GLU 47 7.378 -4.379 -1.866 258 HE2 GLU 47 HE2 GLU 47 4.419 -2.318 -0.076 259 H SER 48 H SER 48 7.122 -4.757 -5.804 260 HA SER 48 HA SER 48 9.160 -5.367 -6.229 261 2HB SER 48 2HB SER 48 9.703 -2.510 -5.356 262 HG SER 48 HG SER 48 11.818 -2.770 -6.298 263 H ALA 49 H ALA 49 9.891 -3.228 -3.372 264 HA ALA 49 HA ALA 49 11.698 -5.272 -2.453 265 1HB ALA 49 1HB ALA 49 12.365 -3.518 -0.835 266 2HB ALA 49 2HB ALA 49 12.363 -2.905 -2.506 267 3HB ALA 49 3HB ALA 49 11.027 -2.492 -1.405 268 H ALA 50 H ALA 50 9.773 -6.812 -2.128 269 HA ALA 50 HA ALA 50 8.289 -6.292 0.297 270 1HB ALA 50 1HB ALA 50 8.457 -8.747 -1.497 271 2HB ALA 50 2HB ALA 50 7.269 -8.475 -0.199 272 3HB ALA 50 3HB ALA 50 7.260 -7.437 -1.646 273 H GLY 51 H GLY 51 8.364 -7.887 2.129 274 1HA GLY 51 1HA GLY 51 9.381 -9.555 3.353 275 2HA GLY 51 2HA GLY 51 10.750 -9.555 2.260 276 H SER 52 H SER 52 11.724 -7.018 2.193 277 HA SER 52 HA SER 52 12.935 -6.816 4.706 278 2HB SER 52 2HB SER 52 14.160 -6.174 2.717 279 HG SER 52 HG SER 52 13.515 -4.295 1.484 280 H THR 53 H THR 53 10.385 -4.929 2.975 281 HA THR 53 HA THR 53 10.181 -3.147 5.291 282 HB THR 53 HB THR 53 10.490 -2.394 2.797 283 HG1 THR 53 HG1 THR 53 9.291 -0.568 3.483 284 1HG2 THR 53 1HG2 THR 53 8.502 -3.933 2.047 285 2HG2 THR 53 2HG2 THR 53 7.459 -2.715 2.819 286 3HG2 THR 53 3HG2 THR 53 8.508 -2.254 1.457 287 H THR 54 H THR 54 8.897 -6.055 4.244 288 HA THR 54 HA THR 54 6.157 -5.712 4.601 289 HB THR 54 HB THR 54 8.016 -8.089 5.130 290 HG1 THR 54 HG1 THR 54 6.225 -7.402 2.922 291 1HG2 THR 54 1HG2 THR 54 5.905 -9.395 4.495 292 2HG2 THR 54 2HG2 THR 54 5.835 -8.626 6.099 293 3HG2 THR 54 3HG2 THR 54 4.989 -7.885 4.720 294 H LEU 55 H LEU 55 4.838 -5.375 6.299 295 HA LEU 55 HA LEU 55 6.244 -4.816 8.777 296 2HB LEU 55 2HB LEU 55 3.361 -4.198 8.252 297 HG LEU 55 HG LEU 55 5.562 -2.656 9.653 298 1HD1 LEU 55 1HD1 LEU 55 3.859 -1.029 10.239 299 2HD1 LEU 55 2HD1 LEU 55 3.987 -1.181 8.470 300 3HD1 LEU 55 3HD1 LEU 55 2.632 -1.949 9.334 301 1HD2 LEU 55 1HD2 LEU 55 3.185 -4.200 10.709 302 2HD2 LEU 55 2HD2 LEU 55 4.912 -4.476 11.040 303 3HD2 LEU 55 3HD2 LEU 55 4.106 -3.020 11.671 304 H GLY 56 H GLY 56 6.609 -7.038 9.439 305 1HA GLY 56 1HA GLY 56 5.400 -7.853 11.549 306 2HA GLY 56 2HA GLY 56 4.163 -8.360 10.416 307 HA PRO 57 HA PRO 57 6.831 -11.755 9.295 308 2HB PRO 57 2HB PRO 57 5.189 -12.922 8.179 309 2HG PRO 57 2HG PRO 57 3.364 -11.657 7.553 310 2HD PRO 57 2HD PRO 57 3.502 -9.954 9.093 311 H GLN 58 H GLN 58 8.529 -10.006 9.544 312 HA GLN 58 HA GLN 58 9.117 -8.757 7.032 313 2HB GLN 58 2HB GLN 58 10.557 -8.415 9.695 314 2HG GLN 58 2HG GLN 58 10.346 -6.794 7.129 315 1HE2 GLN 58 1HE2 GLN 58 9.021 -5.210 8.229 316 2HE2 GLN 58 2HE2 GLN 58 9.767 -4.011 9.233 Start of MODEL 6 1 1H ASP 1 1H ASP 1 -10.111 -3.817 -11.554 2 HA ASP 1 HA ASP 1 -7.291 -3.644 -11.101 3 2HB ASP 1 2HB ASP 1 -7.340 -4.573 -8.852 4 HD2 ASP 1 HD2 ASP 1 -9.771 -1.620 -7.843 5 H GLN 2 H GLN 2 -6.326 -5.873 -11.065 6 HA GLN 2 HA GLN 2 -8.194 -7.860 -12.068 7 2HB GLN 2 2HB GLN 2 -6.078 -7.261 -13.371 8 2HG GLN 2 2HG GLN 2 -4.596 -9.087 -11.488 9 1HE2 GLN 2 1HE2 GLN 2 -4.023 -5.757 -12.473 10 2HE2 GLN 2 2HE2 GLN 2 -2.705 -6.055 -13.556 11 H ASN 3 H ASN 3 -7.631 -6.906 -9.141 12 HA ASN 3 HA ASN 3 -7.346 -9.430 -7.930 13 2HB ASN 3 2HB ASN 3 -5.064 -7.635 -7.146 14 1HD2 ASN 3 1HD2 ASN 3 -4.300 -8.678 -5.482 15 H CYS 4 H CYS 4 -6.572 -8.723 -5.347 16 HA CYS 4 HA CYS 4 -8.332 -7.154 -4.125 17 2HB CYS 4 2HB CYS 4 -5.439 -7.686 -3.630 18 H ASP 5 H ASP 5 -8.688 -4.904 -3.785 19 HA ASP 5 HA ASP 5 -8.012 -3.360 -5.997 20 2HB ASP 5 2HB ASP 5 -8.901 -1.498 -4.215 21 HD2 ASP 5 HD2 ASP 5 -10.744 -4.282 -4.507 22 H ILE 6 H ILE 6 -6.095 -2.213 -6.328 23 HA ILE 6 HA ILE 6 -4.073 -1.911 -4.493 24 HB ILE 6 HB ILE 6 -3.906 -1.609 -6.927 25 1HG2 ILE 6 1HG2 ILE 6 -5.038 1.165 -6.544 26 2HG2 ILE 6 2HG2 ILE 6 -4.639 0.325 -8.061 27 3HG2 ILE 6 3HG2 ILE 6 -6.025 -0.215 -7.084 28 1HD1 ILE 6 1HD1 ILE 6 -0.985 0.566 -6.978 29 2HD1 ILE 6 2HD1 ILE 6 -1.979 -0.583 -7.906 30 3HD1 ILE 6 3HD1 ILE 6 -2.516 1.103 -7.710 31 H GLY 7 H GLY 7 -7.085 -0.072 -4.914 32 1HA GLY 7 1HA GLY 7 -6.122 2.028 -3.109 33 2HA GLY 7 2HA GLY 7 -7.555 2.072 -4.116 34 H ASN 8 H ASN 8 -6.677 -0.775 -2.133 35 HA ASN 8 HA ASN 8 -9.110 -0.580 -0.714 36 2HB ASN 8 2HB ASN 8 -6.639 -2.356 -0.407 37 1HD2 ASN 8 1HD2 ASN 8 -6.583 -3.837 1.169 38 H ILE 9 H ILE 9 -5.583 -0.538 0.254 39 HA ILE 9 HA ILE 9 -6.406 0.472 2.859 40 HB ILE 9 HB ILE 9 -4.991 -1.580 2.591 41 1HG2 ILE 9 1HG2 ILE 9 -3.598 -0.802 0.728 42 2HG2 ILE 9 2HG2 ILE 9 -2.855 0.417 1.792 43 3HG2 ILE 9 3HG2 ILE 9 -2.614 -1.315 2.120 44 1HD1 ILE 9 1HD1 ILE 9 -6.115 0.262 5.010 45 2HD1 ILE 9 2HD1 ILE 9 -5.964 -1.471 4.627 46 3HD1 ILE 9 3HD1 ILE 9 -5.090 -0.788 6.019 47 H THR 10 H THR 10 -4.674 1.371 -0.109 48 HA THR 10 HA THR 10 -3.158 3.451 1.106 49 HB THR 10 HB THR 10 -2.816 3.985 -1.425 50 HG1 THR 10 HG1 THR 10 -3.642 1.945 -2.613 51 1HG2 THR 10 1HG2 THR 10 -1.326 2.372 -0.078 52 2HG2 THR 10 2HG2 THR 10 -2.374 1.057 -0.659 53 3HG2 THR 10 3HG2 THR 10 -1.432 2.024 -1.820 54 H SER 11 H SER 11 -6.359 3.267 -0.496 55 HA SER 11 HA SER 11 -6.403 5.806 -1.454 56 2HB SER 11 2HB SER 11 -8.679 4.046 -0.452 57 HG SER 11 HG SER 11 -10.038 5.383 -1.791 58 H GLN 12 H GLN 12 -7.290 4.568 1.810 59 HA GLN 12 HA GLN 12 -8.484 6.931 2.671 60 2HB GLN 12 2HB GLN 12 -7.136 4.763 4.341 61 2HG GLN 12 2HG GLN 12 -9.231 6.894 4.943 62 1HE2 GLN 12 1HE2 GLN 12 -10.883 5.313 5.202 63 2HE2 GLN 12 2HE2 GLN 12 -10.970 4.332 6.627 64 H CYS 13 H CYS 13 -5.124 5.624 2.967 65 HA CYS 13 HA CYS 13 -4.299 7.650 4.737 66 2HB CYS 13 2HB CYS 13 -2.016 6.804 4.249 67 H GLN 14 H GLN 14 -4.514 7.262 1.207 68 HA GLN 14 HA GLN 14 -2.566 9.061 0.471 69 2HB GLN 14 2HB GLN 14 -3.951 9.223 -1.685 70 2HG GLN 14 2HG GLN 14 -3.942 6.452 -1.714 71 1HE2 GLN 14 1HE2 GLN 14 -3.203 6.476 -3.698 72 2HE2 GLN 14 2HE2 GLN 14 -1.694 7.134 -4.236 73 H MET 15 H MET 15 -5.971 9.529 1.472 74 HA MET 15 HA MET 15 -5.787 12.338 0.858 75 2HB MET 15 2HB MET 15 -8.188 12.318 1.695 76 2HG MET 15 2HG MET 15 -7.564 10.040 -0.247 77 1HE MET 15 1HE MET 15 -9.652 9.108 1.447 78 2HE MET 15 2HE MET 15 -11.110 8.957 0.437 79 3HE MET 15 3HE MET 15 -9.520 8.494 -0.218 80 H GLN 16 H GLN 16 -5.803 10.107 3.668 81 HA GLN 16 HA GLN 16 -6.603 12.012 5.515 82 2HB GLN 16 2HB GLN 16 -4.997 9.458 5.965 83 2HG GLN 16 2HG GLN 16 -6.811 11.064 7.827 84 1HE2 GLN 16 1HE2 GLN 16 -6.011 10.282 10.148 85 2HE2 GLN 16 2HE2 GLN 16 -6.158 8.577 10.416 86 H HIS 17 H HIS 17 -3.338 10.860 4.477 87 HA HIS 17 HA HIS 17 -2.128 13.169 5.669 88 2HB HIS 17 2HB HIS 17 -2.081 12.075 7.688 89 HD1 HIS 17 HD1 HIS 17 -2.671 10.053 9.077 90 HD2 HIS 17 HD2 HIS 17 -1.567 9.047 5.157 91 HE1 HIS 17 HE1 HIS 17 -3.127 7.556 8.824 92 H LYS 18 H LYS 18 -2.176 12.822 3.058 93 HA LYS 18 HA LYS 18 0.604 12.362 2.524 94 2HB LYS 18 2HB LYS 18 -0.765 10.925 0.455 95 2HG LYS 18 2HG LYS 18 0.736 9.057 1.450 96 2HD LYS 18 2HD LYS 18 2.887 10.497 0.923 97 2HE LYS 18 2HE LYS 18 1.993 10.690 -1.575 98 1HZ LYS 18 1HZ LYS 18 2.308 8.295 -1.770 99 2HZ LYS 18 2HZ LYS 18 3.410 8.881 -0.723 100 H ASN 19 H ASN 19 0.515 14.659 2.208 101 HA ASN 19 HA ASN 19 -1.452 15.727 0.492 102 2HB ASN 19 2HB ASN 19 -0.110 17.855 0.765 103 1HD2 ASN 19 1HD2 ASN 19 -2.211 17.948 1.721 104 H CYS 20 H CYS 20 -0.809 14.125 -1.364 105 HA CYS 20 HA CYS 20 1.012 15.163 -3.204 106 2HB CYS 20 2HB CYS 20 2.102 13.030 -1.373 107 H GLU 21 H GLU 21 -0.166 11.987 -1.772 108 HA GLU 21 HA GLU 21 -1.954 10.899 -2.355 109 2HB GLU 21 2HB GLU 21 -2.504 12.935 -4.549 110 2HG GLU 21 2HG GLU 21 -3.977 10.719 -3.286 111 HE2 GLU 21 HE2 GLU 21 -4.292 12.005 -1.418 112 H ASP 22 H ASP 22 0.408 9.903 -3.299 113 HA ASP 22 HA ASP 22 -0.518 8.697 -5.749 114 2HB ASP 22 2HB ASP 22 1.670 8.921 -6.843 115 HD2 ASP 22 HD2 ASP 22 1.148 12.796 -6.159 116 H ALA 23 H ALA 23 0.067 6.460 -5.808 117 HA ALA 23 HA ALA 23 1.252 5.493 -3.336 118 1HB ALA 23 1HB ALA 23 -0.916 4.593 -4.088 119 2HB ALA 23 2HB ALA 23 -0.176 4.070 -5.619 120 3HB ALA 23 3HB ALA 23 0.331 3.322 -4.086 121 H ASN 24 H ASN 24 3.266 6.711 -4.563 122 HA ASN 24 HA ASN 24 5.013 4.608 -5.061 123 2HB ASN 24 2HB ASN 24 4.476 4.354 -7.312 124 1HD2 ASN 24 1HD2 ASN 24 2.411 4.592 -7.869 125 H GLY 25 H GLY 25 4.315 8.059 -6.024 126 1HA GLY 25 1HA GLY 25 6.939 8.961 -5.217 127 2HA GLY 25 2HA GLY 25 5.596 9.931 -5.788 128 H CYS 26 H CYS 26 7.289 10.558 -3.503 129 HA CYS 26 HA CYS 26 7.209 11.144 -1.389 130 2HB CYS 26 2HB CYS 26 5.185 12.038 -0.492 131 H ASP 27 H ASP 27 7.801 8.524 -1.595 132 HA ASP 27 HA ASP 27 5.748 6.881 -0.517 133 2HB ASP 27 2HB ASP 27 7.195 5.890 -2.167 134 HD2 ASP 27 HD2 ASP 27 9.335 4.583 -1.825 135 H THR 28 H THR 28 5.749 8.387 1.546 136 HA THR 28 HA THR 28 7.962 7.648 3.348 137 HB THR 28 HB THR 28 6.348 10.225 3.010 138 HG1 THR 28 HG1 THR 28 8.250 9.810 1.647 139 1HG2 THR 28 1HG2 THR 28 8.435 9.474 5.126 140 2HG2 THR 28 2HG2 THR 28 7.810 11.117 4.843 141 3HG2 THR 28 3HG2 THR 28 6.723 9.842 5.447 142 H ILE 29 H ILE 29 4.494 8.727 3.381 143 HA ILE 29 HA ILE 29 4.186 7.307 5.892 144 HB ILE 29 HB ILE 29 2.697 9.394 4.389 145 1HG2 ILE 29 1HG2 ILE 29 0.894 7.896 4.615 146 2HG2 ILE 29 2HG2 ILE 29 1.403 7.395 6.246 147 3HG2 ILE 29 3HG2 ILE 29 0.746 9.028 5.981 148 1HD1 ILE 29 1HD1 ILE 29 3.608 9.443 8.542 149 2HD1 ILE 29 2HD1 ILE 29 1.965 9.015 8.007 150 3HD1 ILE 29 3HD1 ILE 29 3.317 7.893 7.719 151 H ILE 30 H ILE 30 3.052 7.231 2.477 152 HA ILE 30 HA ILE 30 1.229 5.141 2.817 153 HB ILE 30 HB ILE 30 1.422 6.731 0.894 154 1HG2 ILE 30 1HG2 ILE 30 3.822 6.602 0.510 155 2HG2 ILE 30 2HG2 ILE 30 3.678 4.885 0.062 156 3HG2 ILE 30 3HG2 ILE 30 2.925 6.136 -0.956 157 1HD1 ILE 30 1HD1 ILE 30 0.492 6.175 -1.345 158 2HD1 ILE 30 2HD1 ILE 30 -0.643 4.806 -1.276 159 3HD1 ILE 30 3HD1 ILE 30 -0.770 6.128 -0.090 160 H GLU 31 H GLU 31 4.712 5.248 2.900 161 HA GLU 31 HA GLU 31 5.410 2.795 2.001 162 2HB GLU 31 2HB GLU 31 6.459 4.266 4.459 163 2HG GLU 31 2HG GLU 31 7.686 2.055 2.746 164 HE2 GLU 31 HE2 GLU 31 10.583 3.915 3.443 165 H GLU 32 H GLU 32 3.871 3.689 5.125 166 HA GLU 32 HA GLU 32 4.179 1.026 6.113 167 2HB GLU 32 2HB GLU 32 2.638 3.400 7.255 168 2HG GLU 32 2HG GLU 32 3.597 0.779 8.500 169 HE2 GLU 32 HE2 GLU 32 1.938 3.476 10.962 170 H CYS 33 H CYS 33 1.503 3.170 4.951 171 HA CYS 33 HA CYS 33 -0.559 1.474 5.690 172 2HB CYS 33 2HB CYS 33 -1.826 2.749 3.849 173 H LYS 34 H LYS 34 1.631 1.582 2.870 174 HA LYS 34 HA LYS 34 -0.066 0.112 1.152 175 2HB LYS 34 2HB LYS 34 2.906 0.704 1.009 176 2HG LYS 34 2HG LYS 34 1.104 0.107 -1.346 177 2HD LYS 34 2HD LYS 34 3.264 -0.669 -2.318 178 2HE LYS 34 2HE LYS 34 4.422 1.519 -2.392 179 1HZ LYS 34 1HZ LYS 34 2.391 2.891 -2.877 180 2HZ LYS 34 2HZ LYS 34 2.396 1.455 -3.644 181 H THR 35 H THR 35 3.171 -0.886 2.535 182 HA THR 35 HA THR 35 2.837 -3.386 1.304 183 HB THR 35 HB THR 35 4.777 -2.299 3.410 184 HG1 THR 35 HG1 THR 35 4.963 -1.286 1.356 185 1HG2 THR 35 1HG2 THR 35 4.885 -4.778 3.446 186 2HG2 THR 35 2HG2 THR 35 4.917 -4.817 1.667 187 3HG2 THR 35 3HG2 THR 35 6.291 -4.132 2.567 188 H SER 36 H SER 36 1.779 -2.150 4.404 189 HA SER 36 HA SER 36 1.699 -4.370 5.922 190 2HB SER 36 2HB SER 36 -0.550 -3.363 6.783 191 HG SER 36 HG SER 36 1.556 -1.410 6.638 192 H MET 37 H MET 37 -0.981 -3.272 3.694 193 HA MET 37 HA MET 37 -2.108 -5.927 4.062 194 2HB MET 37 2HB MET 37 -4.234 -4.732 3.222 195 2HG MET 37 2HG MET 37 -4.485 -3.293 5.311 196 1HE MET 37 1HE MET 37 -4.913 -4.286 7.771 197 2HE MET 37 2HE MET 37 -4.461 -5.937 8.258 198 3HE MET 37 3HE MET 37 -3.197 -4.721 7.955 199 H VAL 38 H VAL 38 -0.336 -4.086 1.823 200 HA VAL 38 HA VAL 38 -1.721 -4.954 -0.537 201 HB VAL 38 HB VAL 38 0.740 -3.365 0.098 202 1HG1 VAL 38 1HG1 VAL 38 1.077 -3.112 -2.395 203 2HG1 VAL 38 2HG1 VAL 38 1.530 -4.696 -1.722 204 3HG1 VAL 38 3HG1 VAL 38 -0.002 -4.512 -2.609 205 1HG2 VAL 38 1HG2 VAL 38 -1.427 -2.231 0.132 206 2HG2 VAL 38 2HG2 VAL 38 -0.430 -1.643 -1.220 207 3HG2 VAL 38 3HG2 VAL 38 -1.760 -2.786 -1.526 208 H GLU 39 H GLU 39 0.277 -6.466 1.736 209 HA GLU 39 HA GLU 39 1.969 -8.052 0.492 210 2HB GLU 39 2HB GLU 39 0.974 -9.956 1.982 211 2HG GLU 39 2HG GLU 39 1.794 -8.862 4.035 212 HE2 GLU 39 HE2 GLU 39 4.739 -7.509 1.812 213 H ARG 40 H ARG 40 -1.631 -8.568 0.465 214 HA ARG 40 HA ARG 40 -1.242 -10.775 -1.311 215 2HB ARG 40 2HB ARG 40 -2.947 -10.708 0.612 216 2HG ARG 40 2HG ARG 40 -4.558 -9.070 -1.398 217 2HD ARG 40 2HD ARG 40 -5.114 -9.698 1.538 218 HE ARG 40 HE ARG 40 -7.228 -8.911 -0.354 219 1HH1 ARG 40 1HH1 ARG 40 -4.765 -7.653 1.855 220 2HH1 ARG 40 2HH1 ARG 40 -5.717 -6.289 2.342 221 2HH2 ARG 40 2HH2 ARG 40 -7.840 -5.911 1.291 222 H CYS 41 H CYS 41 -1.764 -7.369 -1.510 223 HA CYS 41 HA CYS 41 -3.194 -7.563 -4.029 224 2HB CYS 41 2HB CYS 41 -3.731 -5.315 -3.807 225 H GLN 42 H GLN 42 -0.125 -8.067 -3.113 226 HA GLN 42 HA GLN 42 1.457 -6.217 -4.310 227 2HB GLN 42 2HB GLN 42 1.809 -9.233 -4.066 228 2HG GLN 42 2HG GLN 42 3.771 -7.048 -4.885 229 1HE2 GLN 42 1HE2 GLN 42 5.965 -7.703 -5.061 230 2HE2 GLN 42 2HE2 GLN 42 6.652 -8.831 -3.941 231 H ASN 43 H ASN 43 -0.484 -8.825 -5.778 232 HA ASN 43 HA ASN 43 0.694 -9.060 -8.192 233 2HB ASN 43 2HB ASN 43 -2.317 -8.911 -7.631 234 1HD2 ASN 43 1HD2 ASN 43 -0.254 -11.286 -9.215 235 H GLN 44 H GLN 44 -1.591 -6.531 -6.975 236 HA GLN 44 HA GLN 44 -1.783 -5.439 -9.636 237 2HB GLN 44 2HB GLN 44 -3.228 -4.653 -7.066 238 2HG GLN 44 2HG GLN 44 -3.212 -2.852 -8.788 239 1HE2 GLN 44 1HE2 GLN 44 -2.130 -3.074 -10.675 240 2HE2 GLN 44 2HE2 GLN 44 -2.842 -3.689 -12.129 241 H GLU 45 H GLU 45 -0.505 -4.674 -6.379 242 HA GLU 45 HA GLU 45 -0.073 -1.949 -7.045 243 2HB GLU 45 2HB GLU 45 1.207 -3.375 -4.697 244 2HG GLU 45 2HG GLU 45 0.401 -1.165 -3.611 245 HE2 GLU 45 HE2 GLU 45 3.927 -1.570 -4.825 246 H PHE 46 H PHE 46 1.669 -4.956 -7.483 247 HA PHE 46 HA PHE 46 3.795 -5.529 -7.623 248 2HB PHE 46 2HB PHE 46 4.220 -2.674 -8.668 249 HD1 PHE 46 HD1 PHE 46 4.668 -6.144 -9.970 250 HD2 PHE 46 HD2 PHE 46 6.501 -2.452 -8.962 251 HE1 PHE 46 HE1 PHE 46 6.853 -6.980 -10.880 252 HE2 PHE 46 HE2 PHE 46 8.685 -3.288 -9.873 253 HZ PHE 46 HZ PHE 46 8.835 -5.542 -10.821 254 H GLU 47 H GLU 47 3.257 -4.775 -5.012 255 HA GLU 47 HA GLU 47 5.195 -3.296 -3.842 256 2HB GLU 47 2HB GLU 47 4.821 -6.143 -2.928 257 2HG GLU 47 2HG GLU 47 4.377 -4.844 -0.755 258 HE2 GLU 47 HE2 GLU 47 8.122 -4.023 -0.856 259 H SER 48 H SER 48 7.437 -3.477 -3.465 260 HA SER 48 HA SER 48 8.765 -5.831 -4.416 261 2HB SER 48 2HB SER 48 9.125 -3.105 -5.707 262 HG SER 48 HG SER 48 11.247 -3.645 -5.480 263 H ALA 49 H ALA 49 9.358 -2.353 -3.494 264 HA ALA 49 HA ALA 49 10.731 -3.247 -1.116 265 1HB ALA 49 1HB ALA 49 12.786 -1.950 -1.684 266 2HB ALA 49 2HB ALA 49 12.533 -3.343 -2.763 267 3HB ALA 49 3HB ALA 49 12.144 -1.700 -3.326 268 H ALA 50 H ALA 50 9.550 -2.093 0.341 269 HA ALA 50 HA ALA 50 9.666 0.773 0.150 270 1HB ALA 50 1HB ALA 50 7.139 0.947 0.441 271 2HB ALA 50 2HB ALA 50 7.696 0.475 -1.182 272 3HB ALA 50 3HB ALA 50 7.049 -0.756 -0.072 273 H GLY 51 H GLY 51 7.743 -1.843 1.817 274 1HA GLY 51 1HA GLY 51 8.195 -0.353 4.315 275 2HA GLY 51 2HA GLY 51 6.862 -1.435 3.966 276 H SER 52 H SER 52 7.515 -2.395 6.120 277 HA SER 52 HA SER 52 9.993 -3.602 6.424 278 2HB SER 52 2HB SER 52 8.525 -3.098 8.325 279 HG SER 52 HG SER 52 6.867 -5.327 7.565 280 H THR 53 H THR 53 6.765 -4.918 5.368 281 HA THR 53 HA THR 53 7.959 -7.578 5.309 282 HB THR 53 HB THR 53 5.041 -6.805 4.870 283 HG1 THR 53 HG1 THR 53 4.971 -6.785 7.216 284 1HG2 THR 53 1HG2 THR 53 5.758 -9.240 4.657 285 2HG2 THR 53 2HG2 THR 53 6.362 -9.152 6.329 286 3HG2 THR 53 3HG2 THR 53 4.625 -8.950 5.997 287 H THR 54 H THR 54 9.250 -6.412 3.367 288 HA THR 54 HA THR 54 7.606 -6.253 0.974 289 HB THR 54 HB THR 54 9.413 -4.544 1.810 290 HG1 THR 54 HG1 THR 54 9.684 -5.773 -0.837 291 1HG2 THR 54 1HG2 THR 54 11.244 -6.271 2.134 292 2HG2 THR 54 2HG2 THR 54 11.176 -6.606 0.386 293 3HG2 THR 54 3HG2 THR 54 11.685 -5.001 0.967 294 H LEU 55 H LEU 55 8.014 -7.405 -0.970 295 HA LEU 55 HA LEU 55 9.534 -9.868 -0.556 296 2HB LEU 55 2HB LEU 55 6.632 -9.693 -1.377 297 HG LEU 55 HG LEU 55 7.789 -11.485 -2.649 298 1HD1 LEU 55 1HD1 LEU 55 9.635 -12.035 -1.261 299 2HD1 LEU 55 2HD1 LEU 55 8.577 -12.439 0.112 300 3HD1 LEU 55 3HD1 LEU 55 8.598 -13.478 -1.333 301 1HD2 LEU 55 1HD2 LEU 55 6.272 -13.300 -2.005 302 2HD2 LEU 55 2HD2 LEU 55 5.911 -12.460 -0.478 303 3HD2 LEU 55 3HD2 LEU 55 5.442 -11.725 -2.029 304 H GLY 56 H GLY 56 10.945 -10.099 -2.200 305 1HA GLY 56 1HA GLY 56 11.695 -10.230 -4.327 306 2HA GLY 56 2HA GLY 56 10.085 -9.862 -4.910 307 HA PRO 57 HA PRO 57 12.410 -5.761 -4.268 308 2HB PRO 57 2HB PRO 57 13.897 -5.639 -2.515 309 2HG PRO 57 2HG PRO 57 14.606 -7.681 -1.710 310 2HD PRO 57 2HD PRO 57 12.851 -9.011 -2.368 311 H GLN 58 H GLN 58 11.859 -5.525 -6.410 312 HA GLN 58 HA GLN 58 12.199 -5.410 -8.555 313 2HB GLN 58 2HB GLN 58 14.476 -4.650 -9.320 314 2HG GLN 58 2HG GLN 58 12.686 -3.187 -8.021 315 1HE2 GLN 58 1HE2 GLN 58 15.947 -2.986 -6.635 316 2HE2 GLN 58 2HE2 GLN 58 15.482 -2.902 -4.968 Start of MODEL 7 1 1H ASP 1 1H ASP 1 -7.391 -3.461 -7.776 2 HA ASP 1 HA ASP 1 -9.271 -2.250 -7.825 3 2HB ASP 1 2HB ASP 1 -8.176 -0.111 -8.315 4 HD2 ASP 1 HD2 ASP 1 -7.727 -0.034 -12.229 5 H GLN 2 H GLN 2 -7.472 -3.754 -10.372 6 HA GLN 2 HA GLN 2 -9.978 -4.662 -11.509 7 2HB GLN 2 2HB GLN 2 -7.635 -4.090 -13.341 8 2HG GLN 2 2HG GLN 2 -9.661 -5.480 -14.059 9 1HE2 GLN 2 1HE2 GLN 2 -10.458 -2.060 -14.522 10 2HE2 GLN 2 2HE2 GLN 2 -12.100 -2.130 -13.976 11 H ASN 3 H ASN 3 -8.239 -5.868 -9.527 12 HA ASN 3 HA ASN 3 -7.682 -8.315 -10.768 13 2HB ASN 3 2HB ASN 3 -5.196 -6.872 -9.744 14 1HD2 ASN 3 1HD2 ASN 3 -4.649 -8.885 -8.844 15 H CYS 4 H CYS 4 -6.731 -6.006 -8.123 16 HA CYS 4 HA CYS 4 -7.826 -7.817 -6.185 17 2HB CYS 4 2HB CYS 4 -5.753 -8.832 -6.088 18 H ASP 5 H ASP 5 -7.469 -6.638 -3.874 19 HA ASP 5 HA ASP 5 -8.804 -4.203 -4.409 20 2HB ASP 5 2HB ASP 5 -9.083 -4.137 -1.917 21 HD2 ASP 5 HD2 ASP 5 -10.020 -5.843 -0.658 22 H ILE 6 H ILE 6 -6.859 -3.056 -5.383 23 HA ILE 6 HA ILE 6 -4.543 -2.638 -3.817 24 HB ILE 6 HB ILE 6 -4.752 -2.594 -6.325 25 1HG2 ILE 6 1HG2 ILE 6 -6.777 -1.080 -6.306 26 2HG2 ILE 6 2HG2 ILE 6 -5.667 0.262 -5.937 27 3HG2 ILE 6 3HG2 ILE 6 -5.489 -0.648 -7.456 28 1HD1 ILE 6 1HD1 ILE 6 -2.919 -1.855 -7.579 29 2HD1 ILE 6 2HD1 ILE 6 -3.233 -0.106 -7.483 30 3HD1 ILE 6 3HD1 ILE 6 -1.693 -0.768 -6.884 31 H GLY 7 H GLY 7 -7.695 -1.019 -4.133 32 1HA GLY 7 1HA GLY 7 -6.619 1.380 -2.812 33 2HA GLY 7 2HA GLY 7 -8.083 1.276 -3.769 34 H ASN 8 H ASN 8 -7.049 -1.069 -1.238 35 HA ASN 8 HA ASN 8 -9.569 -0.818 0.013 36 2HB ASN 8 2HB ASN 8 -6.994 -2.289 0.766 37 1HD2 ASN 8 1HD2 ASN 8 -10.455 -2.869 1.225 38 H ILE 9 H ILE 9 -6.105 -0.205 1.019 39 HA ILE 9 HA ILE 9 -7.147 1.080 3.425 40 HB ILE 9 HB ILE 9 -5.575 -0.873 3.535 41 1HG2 ILE 9 1HG2 ILE 9 -3.504 1.140 2.618 42 2HG2 ILE 9 2HG2 ILE 9 -3.227 -0.550 3.104 43 3HG2 ILE 9 3HG2 ILE 9 -4.145 -0.189 1.622 44 1HD1 ILE 9 1HD1 ILE 9 -5.873 0.488 6.837 45 2HD1 ILE 9 2HD1 ILE 9 -7.054 0.404 5.507 46 3HD1 ILE 9 3HD1 ILE 9 -5.986 -0.981 5.838 47 H THR 10 H THR 10 -5.259 1.641 0.452 48 HA THR 10 HA THR 10 -3.951 3.959 1.480 49 HB THR 10 HB THR 10 -3.250 4.098 -0.993 50 HG1 THR 10 HG1 THR 10 -4.058 2.232 -2.225 51 1HG2 THR 10 1HG2 THR 10 -2.052 2.594 0.753 52 2HG2 THR 10 2HG2 THR 10 -3.023 1.254 0.098 53 3HG2 THR 10 3HG2 THR 10 -1.871 2.115 -0.951 54 H SER 11 H SER 11 -7.029 3.319 -0.105 55 HA SER 11 HA SER 11 -7.489 5.671 -1.347 56 2HB SER 11 2HB SER 11 -9.378 3.900 0.255 57 HG SER 11 HG SER 11 -10.074 5.912 -1.709 58 H GLN 12 H GLN 12 -7.853 4.872 2.159 59 HA GLN 12 HA GLN 12 -8.767 7.530 2.703 60 2HB GLN 12 2HB GLN 12 -8.060 5.287 4.645 61 2HG GLN 12 2HG GLN 12 -9.681 7.859 4.885 62 1HE2 GLN 12 1HE2 GLN 12 -10.383 8.185 7.176 63 2HE2 GLN 12 2HE2 GLN 12 -11.162 6.866 7.983 64 H CYS 13 H CYS 13 -5.795 5.532 3.134 65 HA CYS 13 HA CYS 13 -4.744 7.192 5.136 66 2HB CYS 13 2HB CYS 13 -2.981 5.449 3.468 67 H GLN 14 H GLN 14 -4.709 7.175 1.592 68 HA GLN 14 HA GLN 14 -2.490 8.816 1.240 69 2HB GLN 14 2HB GLN 14 -3.826 9.388 -0.972 70 2HG GLN 14 2HG GLN 14 -2.982 6.546 -0.229 71 1HE2 GLN 14 1HE2 GLN 14 -1.406 6.444 -2.603 72 2HE2 GLN 14 2HE2 GLN 14 -2.460 6.227 -3.960 73 H MET 15 H MET 15 -5.952 9.469 1.914 74 HA MET 15 HA MET 15 -5.706 12.228 1.335 75 2HB MET 15 2HB MET 15 -8.038 12.269 2.404 76 2HG MET 15 2HG MET 15 -7.484 10.056 0.366 77 1HE MET 15 1HE MET 15 -11.089 9.874 -1.110 78 2HE MET 15 2HE MET 15 -9.763 10.950 -1.613 79 3HE MET 15 3HE MET 15 -9.422 9.256 -1.191 80 H GLN 16 H GLN 16 -5.131 10.178 4.134 81 HA GLN 16 HA GLN 16 -5.767 12.113 6.067 82 2HB GLN 16 2HB GLN 16 -4.398 10.488 7.569 83 2HG GLN 16 2HG GLN 16 -6.170 8.647 7.247 84 1HE2 GLN 16 1HE2 GLN 16 -8.123 11.228 6.261 85 2HE2 GLN 16 2HE2 GLN 16 -8.583 11.852 7.811 86 H HIS 17 H HIS 17 -2.657 10.948 4.599 87 HA HIS 17 HA HIS 17 -1.294 13.313 5.369 88 2HB HIS 17 2HB HIS 17 -1.116 12.625 7.545 89 HD1 HIS 17 HD1 HIS 17 -1.539 10.915 9.383 90 HD2 HIS 17 HD2 HIS 17 -1.145 9.178 5.585 91 HE1 HIS 17 HE1 HIS 17 -2.199 8.464 9.645 92 H LYS 18 H LYS 18 -0.838 13.244 3.082 93 HA LYS 18 HA LYS 18 1.275 11.534 2.277 94 2HB LYS 18 2HB LYS 18 -1.029 10.875 0.583 95 2HG LYS 18 2HG LYS 18 -0.044 8.547 1.060 96 2HD LYS 18 2HD LYS 18 1.968 10.620 0.074 97 2HE LYS 18 2HE LYS 18 2.527 8.704 -1.519 98 1HZ LYS 18 1HZ LYS 18 3.866 7.593 0.114 99 2HZ LYS 18 2HZ LYS 18 3.794 9.152 0.579 100 H ASN 19 H ASN 19 -1.655 13.205 0.884 101 HA ASN 19 HA ASN 19 -1.730 15.282 0.154 102 2HB ASN 19 2HB ASN 19 1.289 15.462 -0.190 103 1HD2 ASN 19 1HD2 ASN 19 1.647 17.708 1.245 104 H CYS 20 H CYS 20 1.166 13.550 -1.243 105 HA CYS 20 HA CYS 20 0.659 14.531 -3.846 106 2HB CYS 20 2HB CYS 20 2.908 14.031 -3.138 107 H GLU 21 H GLU 21 -0.439 11.813 -1.881 108 HA GLU 21 HA GLU 21 -2.194 10.566 -2.171 109 2HB GLU 21 2HB GLU 21 -2.834 11.683 -4.901 110 2HG GLU 21 2HG GLU 21 -4.286 10.022 -3.501 111 HE2 GLU 21 HE2 GLU 21 -6.297 10.477 -2.389 112 H ASP 22 H ASP 22 0.543 9.931 -3.312 113 HA ASP 22 HA ASP 22 -0.189 8.358 -5.629 114 2HB ASP 22 2HB ASP 22 2.326 8.086 -5.850 115 HD2 ASP 22 HD2 ASP 22 3.731 10.264 -5.774 116 H ALA 23 H ALA 23 0.957 6.080 -5.725 117 HA ALA 23 HA ALA 23 1.800 5.133 -3.092 118 1HB ALA 23 1HB ALA 23 -0.507 4.346 -3.390 119 2HB ALA 23 2HB ALA 23 -0.088 3.670 -4.982 120 3HB ALA 23 3HB ALA 23 0.631 2.981 -3.506 121 H ASN 24 H ASN 24 3.452 6.173 -5.180 122 HA ASN 24 HA ASN 24 4.871 3.985 -6.175 123 2HB ASN 24 2HB ASN 24 3.039 3.542 -7.679 124 1HD2 ASN 24 1HD2 ASN 24 3.881 6.499 -9.293 125 H GLY 25 H GLY 25 5.536 6.398 -4.852 126 1HA GLY 25 1HA GLY 25 7.320 7.700 -6.630 127 2HA GLY 25 2HA GLY 25 5.886 8.678 -6.394 128 H CYS 26 H CYS 26 5.146 8.873 -3.962 129 HA CYS 26 HA CYS 26 7.351 10.092 -2.682 130 2HB CYS 26 2HB CYS 26 5.729 10.675 -0.932 131 H ASP 27 H ASP 27 5.115 7.344 -1.826 132 HA ASP 27 HA ASP 27 5.350 5.669 -0.445 133 2HB ASP 27 2HB ASP 27 8.270 5.487 -1.244 134 HD2 ASP 27 HD2 ASP 27 7.810 2.325 0.061 135 H THR 28 H THR 28 5.721 8.101 0.942 136 HA THR 28 HA THR 28 8.098 7.680 2.612 137 HB THR 28 HB THR 28 6.232 10.052 2.109 138 HG1 THR 28 HG1 THR 28 8.050 9.310 0.615 139 1HG2 THR 28 1HG2 THR 28 8.670 9.812 3.951 140 2HG2 THR 28 2HG2 THR 28 7.864 11.338 3.511 141 3HG2 THR 28 3HG2 THR 28 7.000 10.122 4.483 142 H ILE 29 H ILE 29 4.590 8.543 2.983 143 HA ILE 29 HA ILE 29 4.738 7.473 5.683 144 HB ILE 29 HB ILE 29 2.886 9.266 4.179 145 1HG2 ILE 29 1HG2 ILE 29 2.123 7.541 6.535 146 2HG2 ILE 29 2HG2 ILE 29 1.324 9.094 6.193 147 3HG2 ILE 29 3HG2 ILE 29 1.262 7.779 4.996 148 1HD1 ILE 29 1HD1 ILE 29 4.565 10.055 8.005 149 2HD1 ILE 29 2HD1 ILE 29 2.882 9.489 7.878 150 3HD1 ILE 29 3HD1 ILE 29 4.224 8.376 7.517 151 H ILE 30 H ILE 30 3.251 6.873 2.478 152 HA ILE 30 HA ILE 30 1.492 4.874 3.482 153 HB ILE 30 HB ILE 30 1.381 6.434 1.369 154 1HG2 ILE 30 1HG2 ILE 30 2.056 5.444 -0.682 155 2HG2 ILE 30 2HG2 ILE 30 3.470 5.412 0.398 156 3HG2 ILE 30 3HG2 ILE 30 2.527 3.928 0.122 157 1HD1 ILE 30 1HD1 ILE 30 -0.783 5.955 2.733 158 2HD1 ILE 30 2HD1 ILE 30 -0.913 6.468 1.034 159 3HD1 ILE 30 3HD1 ILE 30 -1.874 5.091 1.624 160 H GLU 31 H GLU 31 4.848 4.990 3.010 161 HA GLU 31 HA GLU 31 5.556 2.663 1.902 162 2HB GLU 31 2HB GLU 31 6.659 3.937 4.442 163 2HG GLU 31 2HG GLU 31 7.838 1.828 2.574 164 HE2 GLU 31 HE2 GLU 31 8.541 3.079 5.632 165 H GLU 32 H GLU 32 4.357 3.152 5.283 166 HA GLU 32 HA GLU 32 4.392 0.299 5.667 167 2HB GLU 32 2HB GLU 32 3.521 2.531 7.556 168 2HG GLU 32 2HG GLU 32 4.202 -0.410 8.026 169 HE2 GLU 32 HE2 GLU 32 5.761 0.431 9.305 170 H CYS 33 H CYS 33 2.083 3.024 5.234 171 HA CYS 33 HA CYS 33 -0.085 1.618 6.341 172 2HB CYS 33 2HB CYS 33 -0.351 3.960 4.471 173 H LYS 34 H LYS 34 1.511 1.661 3.229 174 HA LYS 34 HA LYS 34 -0.772 0.753 1.749 175 2HB LYS 34 2HB LYS 34 2.173 0.916 1.043 176 2HG LYS 34 2HG LYS 34 0.329 1.023 -1.189 177 2HD LYS 34 2HD LYS 34 1.699 -1.056 -1.848 178 2HE LYS 34 2HE LYS 34 2.352 1.608 -1.963 179 1HZ LYS 34 1HZ LYS 34 4.586 0.252 -0.547 180 2HZ LYS 34 2HZ LYS 34 4.652 1.750 -1.184 181 H THR 35 H THR 35 2.438 -0.782 2.558 182 HA THR 35 HA THR 35 1.593 -3.233 1.467 183 HB THR 35 HB THR 35 3.889 -2.640 3.406 184 HG1 THR 35 HG1 THR 35 4.413 -1.336 1.689 185 1HG2 THR 35 1HG2 THR 35 3.629 -5.058 2.860 186 2HG2 THR 35 2HG2 THR 35 3.532 -4.660 1.128 187 3HG2 THR 35 3HG2 THR 35 5.048 -4.385 2.020 188 H SER 36 H SER 36 1.063 -1.767 4.601 189 HA SER 36 HA SER 36 0.507 -3.664 6.284 190 2HB SER 36 2HB SER 36 -0.277 -1.293 6.448 191 HG SER 36 HG SER 36 -1.875 -0.546 5.222 192 H MET 37 H MET 37 -2.023 -2.850 3.789 193 HA MET 37 HA MET 37 -2.970 -5.573 4.071 194 2HB MET 37 2HB MET 37 -4.973 -4.622 2.791 195 2HG MET 37 2HG MET 37 -5.696 -3.023 4.621 196 1HE MET 37 1HE MET 37 -4.697 -3.995 7.595 197 2HE MET 37 2HE MET 37 -6.396 -3.766 7.119 198 3HE MET 37 3HE MET 37 -5.881 -5.295 7.868 199 H VAL 38 H VAL 38 -1.215 -3.479 1.849 200 HA VAL 38 HA VAL 38 -2.481 -4.603 -0.479 201 HB VAL 38 HB VAL 38 -0.372 -2.486 -0.037 202 1HG1 VAL 38 1HG1 VAL 38 0.181 -3.303 -2.166 203 2HG1 VAL 38 2HG1 VAL 38 -1.519 -3.609 -2.596 204 3HG1 VAL 38 3HG1 VAL 38 -0.912 -1.938 -2.503 205 1HG2 VAL 38 1HG2 VAL 38 -2.602 -1.841 0.701 206 2HG2 VAL 38 2HG2 VAL 38 -2.167 -0.950 -0.777 207 3HG2 VAL 38 3HG2 VAL 38 -3.290 -2.327 -0.866 208 H GLU 39 H GLU 39 0.071 -5.508 1.582 209 HA GLU 39 HA GLU 39 1.924 -6.606 -0.029 210 2HB GLU 39 2HB GLU 39 0.609 -8.063 2.303 211 2HG GLU 39 2HG GLU 39 2.390 -9.272 0.930 212 HE2 GLU 39 HE2 GLU 39 4.756 -6.887 -0.097 213 H ARG 40 H ARG 40 -1.423 -7.781 0.608 214 HA ARG 40 HA ARG 40 -1.194 -10.147 -0.783 215 2HB ARG 40 2HB ARG 40 -3.601 -8.304 -0.373 216 2HG ARG 40 2HG ARG 40 -4.446 -10.994 -0.558 217 2HD ARG 40 2HD ARG 40 -5.479 -10.174 -2.752 218 HE ARG 40 HE ARG 40 -5.869 -8.918 -0.125 219 1HH1 ARG 40 1HH1 ARG 40 -6.991 -8.963 -3.485 220 2HH1 ARG 40 2HH1 ARG 40 -8.606 -8.484 -3.083 221 2HH2 ARG 40 2HH2 ARG 40 -9.156 -8.014 -0.797 222 H CYS 41 H CYS 41 -1.879 -6.777 -1.839 223 HA CYS 41 HA CYS 41 -2.555 -7.779 -4.490 224 2HB CYS 41 2HB CYS 41 -2.962 -5.020 -3.318 225 H GLN 42 H GLN 42 0.219 -7.397 -3.071 226 HA GLN 42 HA GLN 42 1.544 -5.362 -4.389 227 2HB GLN 42 2HB GLN 42 2.574 -8.076 -3.452 228 2HG GLN 42 2HG GLN 42 3.952 -5.546 -4.403 229 1HE2 GLN 42 1HE2 GLN 42 6.215 -7.748 -4.105 230 2HE2 GLN 42 2HE2 GLN 42 6.905 -7.365 -2.563 231 H ASN 43 H ASN 43 0.228 -8.394 -5.545 232 HA ASN 43 HA ASN 43 1.661 -8.896 -7.765 233 2HB ASN 43 2HB ASN 43 -1.394 -8.711 -7.601 234 1HD2 ASN 43 1HD2 ASN 43 -1.777 -8.420 -9.733 235 H GLN 44 H GLN 44 -0.745 -6.273 -7.132 236 HA GLN 44 HA GLN 44 -0.436 -5.367 -9.863 237 2HB GLN 44 2HB GLN 44 -2.356 -4.330 -7.737 238 2HG GLN 44 2HG GLN 44 -2.395 -4.234 -10.791 239 1HE2 GLN 44 1HE2 GLN 44 -3.706 -1.618 -10.373 240 2HE2 GLN 44 2HE2 GLN 44 -5.355 -1.921 -9.937 241 H GLU 45 H GLU 45 -0.154 -4.220 -6.443 242 HA GLU 45 HA GLU 45 0.673 -1.646 -7.260 243 2HB GLU 45 2HB GLU 45 0.936 -2.965 -4.523 244 2HG GLU 45 2HG GLU 45 2.193 -0.877 -4.633 245 HE2 GLU 45 HE2 GLU 45 1.302 1.285 -7.197 246 H PHE 46 H PHE 46 2.845 -0.666 -6.746 247 HA PHE 46 HA PHE 46 4.638 -2.419 -8.116 248 2HB PHE 46 2HB PHE 46 4.046 0.250 -8.186 249 HD1 PHE 46 HD1 PHE 46 3.959 0.683 -5.527 250 HD2 PHE 46 HD2 PHE 46 7.470 0.706 -7.909 251 HE1 PHE 46 HE1 PHE 46 5.109 2.119 -3.818 252 HE2 PHE 46 HE2 PHE 46 8.620 2.141 -6.202 253 HZ PHE 46 HZ PHE 46 7.426 2.830 -4.176 254 H GLU 47 H GLU 47 3.917 -2.153 -4.890 255 HA GLU 47 HA GLU 47 6.232 -1.594 -3.604 256 2HB GLU 47 2HB GLU 47 4.143 -3.692 -2.870 257 2HG GLU 47 2HG GLU 47 6.146 -3.954 -1.470 258 HE2 GLU 47 HE2 GLU 47 6.584 -0.224 -0.132 259 H SER 48 H SER 48 8.206 -2.639 -3.229 260 HA SER 48 HA SER 48 8.392 -5.380 -4.146 261 2HB SER 48 2HB SER 48 10.226 -3.927 -4.825 262 HG SER 48 HG SER 48 11.587 -2.925 -3.229 263 H ALA 49 H ALA 49 9.262 -3.388 -1.215 264 HA ALA 49 HA ALA 49 7.849 -5.268 0.427 265 1HB ALA 49 1HB ALA 49 9.869 -5.645 1.912 266 2HB ALA 49 2HB ALA 49 9.939 -6.463 0.332 267 3HB ALA 49 3HB ALA 49 10.870 -4.971 0.604 268 H ALA 50 H ALA 50 10.440 -2.703 0.652 269 HA ALA 50 HA ALA 50 8.470 -1.093 2.114 270 1HB ALA 50 1HB ALA 50 11.490 -0.837 1.821 271 2HB ALA 50 2HB ALA 50 10.451 0.295 2.721 272 3HB ALA 50 3HB ALA 50 10.608 -1.394 3.262 273 H GLY 51 H GLY 51 11.029 -0.799 -0.466 274 1HA GLY 51 1HA GLY 51 10.826 -0.013 -2.569 275 2HA GLY 51 2HA GLY 51 9.089 0.060 -2.353 276 H SER 52 H SER 52 11.609 1.711 -0.359 277 HA SER 52 HA SER 52 10.213 4.061 -0.242 278 2HB SER 52 2HB SER 52 13.225 3.630 -0.007 279 HG SER 52 HG SER 52 13.233 5.532 1.214 280 H THR 53 H THR 53 12.924 3.067 -2.442 281 HA THR 53 HA THR 53 13.331 3.636 -4.554 282 HB THR 53 HB THR 53 10.610 5.038 -4.412 283 HG1 THR 53 HG1 THR 53 10.056 2.906 -4.167 284 1HG2 THR 53 1HG2 THR 53 11.951 5.527 -6.499 285 2HG2 THR 53 2HG2 THR 53 12.133 3.775 -6.752 286 3HG2 THR 53 3HG2 THR 53 10.520 4.522 -6.833 287 H THR 54 H THR 54 11.547 6.615 -3.506 288 HA THR 54 HA THR 54 13.645 8.130 -4.792 289 HB THR 54 HB THR 54 11.962 10.015 -4.130 290 HG1 THR 54 HG1 THR 54 9.840 8.870 -3.605 291 1HG2 THR 54 1HG2 THR 54 10.341 9.392 -5.849 292 2HG2 THR 54 2HG2 THR 54 11.934 8.819 -6.399 293 3HG2 THR 54 3HG2 THR 54 10.770 7.671 -5.696 294 H LEU 55 H LEU 55 12.389 7.560 -1.480 295 HA LEU 55 HA LEU 55 14.374 9.409 -0.444 296 2HB LEU 55 2HB LEU 55 13.242 8.594 1.757 297 HG LEU 55 HG LEU 55 12.867 10.853 0.631 298 1HD1 LEU 55 1HD1 LEU 55 11.760 10.245 -1.379 299 2HD1 LEU 55 2HD1 LEU 55 10.501 9.345 -0.498 300 3HD1 LEU 55 3HD1 LEU 55 10.573 11.120 -0.381 301 1HD2 LEU 55 1HD2 LEU 55 12.088 10.397 2.875 302 2HD2 LEU 55 2HD2 LEU 55 10.863 11.340 1.992 303 3HD2 LEU 55 3HD2 LEU 55 10.632 9.594 2.242 304 H GLY 56 H GLY 56 15.729 8.628 1.474 305 1HA GLY 56 1HA GLY 56 17.252 6.361 0.773 306 2HA GLY 56 2HA GLY 56 17.317 7.256 2.280 307 HA PRO 57 HA PRO 57 15.541 3.080 2.853 308 2HB PRO 57 2HB PRO 57 17.485 1.848 2.882 309 2HG PRO 57 2HG PRO 57 19.417 3.099 3.035 310 2HD PRO 57 2HD PRO 57 18.677 5.098 2.174 311 H GLN 58 H GLN 58 13.887 4.617 3.746 312 HA GLN 58 HA GLN 58 14.035 4.608 6.628 313 2HB GLN 58 2HB GLN 58 13.284 6.679 5.597 314 2HG GLN 58 2HG GLN 58 11.474 4.807 4.082 315 1HE2 GLN 58 1HE2 GLN 58 9.545 5.072 5.239 316 2HE2 GLN 58 2HE2 GLN 58 8.577 6.499 5.081 Start of MODEL 8 1 1H ASP 1 1H ASP 1 -10.603 -5.045 -8.822 2 HA ASP 1 HA ASP 1 -12.505 -6.224 -9.382 3 2HB ASP 1 2HB ASP 1 -13.809 -4.341 -10.259 4 HD2 ASP 1 HD2 ASP 1 -11.912 -2.987 -10.629 5 H GLN 2 H GLN 2 -9.973 -4.838 -11.472 6 HA GLN 2 HA GLN 2 -9.915 -7.110 -13.196 7 2HB GLN 2 2HB GLN 2 -7.833 -5.970 -14.096 8 2HG GLN 2 2HG GLN 2 -10.308 -4.205 -13.775 9 1HE2 GLN 2 1HE2 GLN 2 -10.656 -2.924 -15.756 10 2HE2 GLN 2 2HE2 GLN 2 -9.295 -2.167 -16.516 11 H ASN 3 H ASN 3 -8.681 -6.257 -10.071 12 HA ASN 3 HA ASN 3 -7.266 -8.699 -9.916 13 2HB ASN 3 2HB ASN 3 -5.453 -7.439 -10.954 14 1HD2 ASN 3 1HD2 ASN 3 -5.225 -5.847 -7.863 15 H CYS 4 H CYS 4 -6.081 -8.698 -7.574 16 HA CYS 4 HA CYS 4 -7.967 -8.202 -5.662 17 2HB CYS 4 2HB CYS 4 -4.964 -8.336 -5.321 18 H ASP 5 H ASP 5 -8.384 -6.421 -4.224 19 HA ASP 5 HA ASP 5 -8.194 -4.096 -5.731 20 2HB ASP 5 2HB ASP 5 -9.027 -4.410 -2.809 21 HD2 ASP 5 HD2 ASP 5 -9.425 -0.969 -4.616 22 H ILE 6 H ILE 6 -6.082 -3.204 -5.908 23 HA ILE 6 HA ILE 6 -4.264 -3.032 -3.791 24 HB ILE 6 HB ILE 6 -3.796 -2.847 -6.237 25 1HG2 ILE 6 1HG2 ILE 6 -5.684 -1.192 -6.637 26 2HG2 ILE 6 2HG2 ILE 6 -4.599 0.053 -5.971 27 3HG2 ILE 6 3HG2 ILE 6 -4.131 -0.845 -7.435 28 1HD1 ILE 6 1HD1 ILE 6 -0.688 -0.920 -5.939 29 2HD1 ILE 6 2HD1 ILE 6 -1.772 -1.735 -7.091 30 3HD1 ILE 6 3HD1 ILE 6 -2.087 -0.051 -6.614 31 H GLY 7 H GLY 7 -7.137 -1.115 -4.648 32 1HA GLY 7 1HA GLY 7 -5.984 1.223 -3.276 33 2HA GLY 7 2HA GLY 7 -7.204 1.246 -4.535 34 H ASN 8 H ASN 8 -7.309 -1.139 -1.886 35 HA ASN 8 HA ASN 8 -9.887 -0.199 -1.185 36 2HB ASN 8 2HB ASN 8 -8.214 -2.222 0.373 37 1HD2 ASN 8 1HD2 ASN 8 -11.289 -2.319 -1.366 38 H ILE 9 H ILE 9 -6.531 0.164 -0.041 39 HA ILE 9 HA ILE 9 -7.502 0.881 2.632 40 HB ILE 9 HB ILE 9 -6.199 -0.980 2.919 41 1HG2 ILE 9 1HG2 ILE 9 -5.440 -1.414 0.721 42 2HG2 ILE 9 2HG2 ILE 9 -4.440 0.058 0.691 43 3HG2 ILE 9 3HG2 ILE 9 -3.984 -1.307 1.738 44 1HD1 ILE 9 1HD1 ILE 9 -3.708 1.628 2.073 45 2HD1 ILE 9 2HD1 ILE 9 -2.974 1.636 3.694 46 3HD1 ILE 9 3HD1 ILE 9 -2.836 0.191 2.663 47 H THR 10 H THR 10 -5.432 1.835 -0.133 48 HA THR 10 HA THR 10 -4.139 3.928 1.296 49 HB THR 10 HB THR 10 -3.433 4.483 -1.150 50 HG1 THR 10 HG1 THR 10 -4.166 2.797 -2.628 51 1HG2 THR 10 1HG2 THR 10 -1.960 2.582 -1.328 52 2HG2 THR 10 2HG2 THR 10 -2.189 2.823 0.421 53 3HG2 THR 10 3HG2 THR 10 -3.084 1.537 -0.425 54 H SER 11 H SER 11 -7.220 3.624 -0.352 55 HA SER 11 HA SER 11 -7.847 6.133 -0.998 56 2HB SER 11 2HB SER 11 -9.503 4.146 0.615 57 HG SER 11 HG SER 11 -11.333 5.320 -0.228 58 H GLN 12 H GLN 12 -7.492 4.765 2.313 59 HA GLN 12 HA GLN 12 -8.371 7.170 3.538 60 2HB GLN 12 2HB GLN 12 -6.851 4.850 4.801 61 2HG GLN 12 2HG GLN 12 -8.791 6.935 5.906 62 1HE2 GLN 12 1HE2 GLN 12 -6.394 5.729 7.916 63 2HE2 GLN 12 2HE2 GLN 12 -7.290 4.546 8.811 64 H CYS 13 H CYS 13 -5.169 5.508 3.050 65 HA CYS 13 HA CYS 13 -3.884 7.147 4.901 66 2HB CYS 13 2HB CYS 13 -1.812 6.172 4.041 67 H GLN 14 H GLN 14 -4.527 7.375 1.394 68 HA GLN 14 HA GLN 14 -2.432 9.032 0.732 69 2HB GLN 14 2HB GLN 14 -3.934 9.650 -1.253 70 2HG GLN 14 2HG GLN 14 -4.249 7.007 -1.778 71 1HE2 GLN 14 1HE2 GLN 14 -2.948 6.491 -3.408 72 2HE2 GLN 14 2HE2 GLN 14 -1.482 7.303 -3.846 73 H MET 15 H MET 15 -5.734 9.752 1.962 74 HA MET 15 HA MET 15 -5.222 12.573 1.717 75 2HB MET 15 2HB MET 15 -7.590 12.730 2.610 76 2HG MET 15 2HG MET 15 -7.426 10.562 0.471 77 1HE MET 15 1HE MET 15 -11.143 10.452 1.180 78 2HE MET 15 2HE MET 15 -9.738 9.589 0.509 79 3HE MET 15 3HE MET 15 -9.701 10.180 2.187 80 H GLN 16 H GLN 16 -5.234 9.995 4.164 81 HA GLN 16 HA GLN 16 -5.776 11.660 6.336 82 2HB GLN 16 2HB GLN 16 -4.380 8.947 6.287 83 2HG GLN 16 2HG GLN 16 -5.941 10.390 8.483 84 1HE2 GLN 16 1HE2 GLN 16 -5.397 9.251 10.601 85 2HE2 GLN 16 2HE2 GLN 16 -5.569 7.528 10.630 86 H HIS 17 H HIS 17 -2.714 10.402 4.882 87 HA HIS 17 HA HIS 17 -1.205 12.435 6.193 88 2HB HIS 17 2HB HIS 17 -1.147 11.188 8.120 89 HD1 HIS 17 HD1 HIS 17 -1.770 9.104 9.421 90 HD2 HIS 17 HD2 HIS 17 -1.207 8.362 5.331 91 HE1 HIS 17 HE1 HIS 17 -2.529 6.701 9.019 92 H LYS 18 H LYS 18 -0.957 12.778 3.827 93 HA LYS 18 HA LYS 18 1.352 11.383 2.862 94 2HB LYS 18 2HB LYS 18 -0.681 11.203 0.786 95 2HG LYS 18 2HG LYS 18 0.170 8.757 0.924 96 2HD LYS 18 2HD LYS 18 1.728 11.220 0.243 97 2HE LYS 18 2HE LYS 18 3.639 9.630 -0.522 98 1HZ LYS 18 1HZ LYS 18 3.475 9.893 2.413 99 2HZ LYS 18 2HZ LYS 18 4.780 10.080 1.458 100 H ASN 19 H ASN 19 -1.454 13.504 1.854 101 HA ASN 19 HA ASN 19 -1.557 15.059 0.347 102 2HB ASN 19 2HB ASN 19 1.387 15.750 0.574 103 1HD2 ASN 19 1HD2 ASN 19 1.273 17.072 -1.146 104 H CYS 20 H CYS 20 -0.514 15.817 -1.893 105 HA CYS 20 HA CYS 20 0.461 15.357 -3.827 106 2HB CYS 20 2HB CYS 20 2.225 13.822 -4.110 107 H GLU 21 H GLU 21 -0.452 12.273 -2.096 108 HA GLU 21 HA GLU 21 -2.275 11.083 -2.313 109 2HB GLU 21 2HB GLU 21 -3.225 12.565 -4.774 110 2HG GLU 21 2HG GLU 21 -4.675 11.567 -2.277 111 HE2 GLU 21 HE2 GLU 21 -6.769 10.917 -3.240 112 H ASP 22 H ASP 22 0.202 10.317 -3.425 113 HA ASP 22 HA ASP 22 -0.748 8.643 -5.575 114 2HB ASP 22 2HB ASP 22 1.352 9.094 -6.891 115 HD2 ASP 22 HD2 ASP 22 -1.279 11.155 -8.194 116 H ALA 23 H ALA 23 0.763 6.732 -5.882 117 HA ALA 23 HA ALA 23 1.648 5.828 -3.345 118 1HB ALA 23 1HB ALA 23 1.855 4.678 -6.157 119 2HB ALA 23 2HB ALA 23 2.287 3.795 -4.672 120 3HB ALA 23 3HB ALA 23 0.607 4.318 -4.939 121 H ASN 24 H ASN 24 3.291 6.762 -6.438 122 HA ASN 24 HA ASN 24 5.827 6.203 -5.279 123 2HB ASN 24 2HB ASN 24 5.496 5.827 -7.686 124 1HD2 ASN 24 1HD2 ASN 24 6.384 8.140 -9.361 125 H GLY 25 H GLY 25 3.734 9.020 -6.049 126 1HA GLY 25 1HA GLY 25 5.675 11.048 -5.772 127 2HA GLY 25 2HA GLY 25 3.934 11.230 -5.683 128 H CYS 26 H CYS 26 6.806 11.539 -3.941 129 HA CYS 26 HA CYS 26 7.150 12.251 -1.890 130 2HB CYS 26 2HB CYS 26 5.378 13.020 -0.465 131 H ASP 27 H ASP 27 6.842 9.344 -2.784 132 HA ASP 27 HA ASP 27 5.476 7.811 -1.041 133 2HB ASP 27 2HB ASP 27 8.135 7.334 -2.449 134 HD2 ASP 27 HD2 ASP 27 8.620 4.367 -0.803 135 H THR 28 H THR 28 5.614 7.835 1.217 136 HA THR 28 HA THR 28 8.165 7.128 2.356 137 HB THR 28 HB THR 28 6.857 9.833 2.740 138 HG1 THR 28 HG1 THR 28 8.831 9.501 1.486 139 1HG2 THR 28 1HG2 THR 28 8.285 10.064 4.830 140 2HG2 THR 28 2HG2 THR 28 6.894 8.976 5.050 141 3HG2 THR 28 3HG2 THR 28 8.522 8.300 4.805 142 H ILE 29 H ILE 29 4.841 8.298 3.235 143 HA ILE 29 HA ILE 29 4.819 6.433 5.426 144 HB ILE 29 HB ILE 29 3.248 8.747 4.508 145 1HG2 ILE 29 1HG2 ILE 29 1.308 8.057 5.991 146 2HG2 ILE 29 2HG2 ILE 29 1.419 7.257 4.405 147 3HG2 ILE 29 3HG2 ILE 29 1.934 6.395 5.875 148 1HD1 ILE 29 1HD1 ILE 29 2.599 7.490 7.954 149 2HD1 ILE 29 2HD1 ILE 29 3.927 6.472 7.345 150 3HD1 ILE 29 3HD1 ILE 29 4.264 7.767 8.519 151 H ILE 30 H ILE 30 3.288 6.828 2.192 152 HA ILE 30 HA ILE 30 1.414 4.774 2.548 153 HB ILE 30 HB ILE 30 1.400 6.667 0.881 154 1HG2 ILE 30 1HG2 ILE 30 3.755 6.201 0.078 155 2HG2 ILE 30 2HG2 ILE 30 3.081 4.820 -0.822 156 3HG2 ILE 30 3HG2 ILE 30 2.533 6.474 -1.187 157 1HD1 ILE 30 1HD1 ILE 30 0.237 6.249 -1.533 158 2HD1 ILE 30 2HD1 ILE 30 -1.150 5.188 -1.188 159 3HD1 ILE 30 3HD1 ILE 30 -0.789 6.559 -0.112 160 H GLU 31 H GLU 31 4.857 4.770 1.997 161 HA GLU 31 HA GLU 31 5.128 2.386 0.656 162 2HB GLU 31 2HB GLU 31 6.949 3.558 2.806 163 2HG GLU 31 2HG GLU 31 7.407 1.560 0.546 164 HE2 GLU 31 HE2 GLU 31 10.878 2.419 2.118 165 H GLU 32 H GLU 32 4.568 3.101 4.128 166 HA GLU 32 HA GLU 32 4.709 0.284 4.725 167 2HB GLU 32 2HB GLU 32 4.078 2.645 6.552 168 2HG GLU 32 2HG GLU 32 4.938 -0.228 7.139 169 HE2 GLU 32 HE2 GLU 32 6.294 1.238 9.983 170 H CYS 33 H CYS 33 2.334 2.997 4.568 171 HA CYS 33 HA CYS 33 0.285 1.684 5.886 172 2HB CYS 33 2HB CYS 33 -0.342 3.645 3.722 173 H LYS 34 H LYS 34 1.187 1.919 2.388 174 HA LYS 34 HA LYS 34 -1.004 0.485 1.410 175 2HB LYS 34 2HB LYS 34 1.783 0.762 0.246 176 2HG LYS 34 2HG LYS 34 -0.901 0.327 -1.138 177 2HD LYS 34 2HD LYS 34 0.818 -0.416 -2.980 178 2HE LYS 34 2HE LYS 34 1.159 2.021 -3.671 179 1HZ LYS 34 1HZ LYS 34 -1.258 2.423 -3.828 180 2HZ LYS 34 2HZ LYS 34 -0.905 0.886 -4.233 181 H THR 35 H THR 35 2.406 -0.643 2.079 182 HA THR 35 HA THR 35 1.874 -3.157 0.981 183 HB THR 35 HB THR 35 4.041 -2.325 2.981 184 HG1 THR 35 HG1 THR 35 4.392 -0.937 1.277 185 1HG2 THR 35 1HG2 THR 35 5.427 -3.910 1.612 186 2HG2 THR 35 2HG2 THR 35 4.084 -4.751 2.422 187 3HG2 THR 35 3HG2 THR 35 3.972 -4.360 0.690 188 H SER 36 H SER 36 1.224 -1.840 4.173 189 HA SER 36 HA SER 36 1.185 -4.075 5.688 190 2HB SER 36 2HB SER 36 -0.809 -2.924 6.868 191 HG SER 36 HG SER 36 1.432 -1.187 6.299 192 H MET 37 H MET 37 -1.697 -2.730 3.888 193 HA MET 37 HA MET 37 -2.972 -5.285 4.382 194 2HB MET 37 2HB MET 37 -5.057 -3.942 3.689 195 2HG MET 37 2HG MET 37 -4.987 -2.400 5.720 196 1HE MET 37 1HE MET 37 -4.834 -4.941 8.776 197 2HE MET 37 2HE MET 37 -3.496 -3.883 8.269 198 3HE MET 37 3HE MET 37 -5.163 -3.263 8.285 199 H VAL 38 H VAL 38 -1.401 -3.505 1.877 200 HA VAL 38 HA VAL 38 -2.872 -4.803 -0.251 201 HB VAL 38 HB VAL 38 -0.468 -2.969 -0.211 202 1HG1 VAL 38 1HG1 VAL 38 -0.294 -4.315 -2.185 203 2HG1 VAL 38 2HG1 VAL 38 -2.029 -4.133 -2.536 204 3HG1 VAL 38 3HG1 VAL 38 -0.942 -2.731 -2.674 205 1HG2 VAL 38 1HG2 VAL 38 -2.278 -1.459 -1.361 206 2HG2 VAL 38 2HG2 VAL 38 -3.427 -2.546 -0.544 207 3HG2 VAL 38 3HG2 VAL 38 -2.245 -1.619 0.412 208 H GLU 39 H GLU 39 -0.573 -5.731 2.009 209 HA GLU 39 HA GLU 39 1.406 -6.997 0.812 210 2HB GLU 39 2HB GLU 39 -0.408 -8.315 2.880 211 2HG GLU 39 2HG GLU 39 1.863 -9.335 1.636 212 HE2 GLU 39 HE2 GLU 39 4.236 -7.114 3.216 213 H ARG 40 H ARG 40 -2.011 -8.216 0.941 214 HA ARG 40 HA ARG 40 -1.163 -10.604 -0.370 215 2HB ARG 40 2HB ARG 40 -2.873 -10.598 1.483 216 2HG ARG 40 2HG ARG 40 -4.037 -8.523 -0.084 217 2HD ARG 40 2HD ARG 40 -5.189 -10.404 -1.349 218 HE ARG 40 HE ARG 40 -5.685 -11.406 1.291 219 1HH1 ARG 40 1HH1 ARG 40 -7.376 -10.962 -1.792 220 2HH1 ARG 40 2HH1 ARG 40 -8.444 -12.302 -1.540 221 2HH2 ARG 40 2HH2 ARG 40 -8.259 -13.590 0.472 222 H CYS 41 H CYS 41 -2.135 -7.474 -1.316 223 HA CYS 41 HA CYS 41 -3.235 -8.475 -3.834 224 2HB CYS 41 2HB CYS 41 -3.996 -6.128 -4.175 225 H GLN 42 H GLN 42 -0.319 -8.257 -2.709 226 HA GLN 42 HA GLN 42 0.880 -6.069 -3.925 227 2HB GLN 42 2HB GLN 42 1.844 -7.445 -2.049 228 2HG GLN 42 2HG GLN 42 2.456 -9.389 -4.327 229 1HE2 GLN 42 1HE2 GLN 42 2.164 -9.884 -0.873 230 2HE2 GLN 42 2HE2 GLN 42 3.821 -10.248 -0.526 231 H ASN 43 H ASN 43 -0.396 -9.005 -5.256 232 HA ASN 43 HA ASN 43 0.892 -9.515 -7.483 233 2HB ASN 43 2HB ASN 43 -2.049 -8.654 -7.464 234 1HD2 ASN 43 1HD2 ASN 43 -0.247 -11.565 -8.355 235 H GLN 44 H GLN 44 -0.993 -6.498 -6.773 236 HA GLN 44 HA GLN 44 -0.496 -5.555 -9.442 237 2HB GLN 44 2HB GLN 44 -1.967 -4.092 -7.218 238 2HG GLN 44 2HG GLN 44 -1.372 -2.953 -9.462 239 1HE2 GLN 44 1HE2 GLN 44 -2.736 -2.483 -11.497 240 2HE2 GLN 44 2HE2 GLN 44 -3.093 -3.839 -12.514 241 H GLU 45 H GLU 45 0.373 -4.786 -6.030 242 HA GLU 45 HA GLU 45 1.392 -2.253 -6.737 243 2HB GLU 45 2HB GLU 45 0.493 -3.368 -4.413 244 2HG GLU 45 2HG GLU 45 3.519 -3.137 -4.092 245 HE2 GLU 45 HE2 GLU 45 1.893 -4.658 -0.885 246 H PHE 46 H PHE 46 2.650 -5.511 -6.745 247 HA PHE 46 HA PHE 46 4.676 -6.400 -6.661 248 2HB PHE 46 2HB PHE 46 5.272 -3.786 -8.175 249 HD1 PHE 46 HD1 PHE 46 7.459 -3.435 -8.780 250 HD2 PHE 46 HD2 PHE 46 6.158 -7.422 -8.132 251 HE1 PHE 46 HE1 PHE 46 9.774 -4.269 -9.267 252 HE2 PHE 46 HE2 PHE 46 8.475 -8.257 -8.621 253 HZ PHE 46 HZ PHE 46 10.255 -6.671 -9.182 254 H GLU 47 H GLU 47 4.805 -6.024 -4.281 255 HA GLU 47 HA GLU 47 5.896 -3.675 -3.279 256 2HB GLU 47 2HB GLU 47 4.530 -5.311 -1.969 257 2HG GLU 47 2HG GLU 47 5.980 -7.305 -2.952 258 HE2 GLU 47 HE2 GLU 47 9.065 -7.929 -1.652 259 H SER 48 H SER 48 7.367 -6.585 -4.679 260 HA SER 48 HA SER 48 9.308 -6.706 -5.641 261 2HB SER 48 2HB SER 48 9.749 -3.807 -4.797 262 HG SER 48 HG SER 48 11.128 -3.799 -6.708 263 H ALA 49 H ALA 49 11.914 -5.806 -5.023 264 HA ALA 49 HA ALA 49 12.413 -7.329 -2.664 265 1HB ALA 49 1HB ALA 49 14.779 -6.823 -3.216 266 2HB ALA 49 2HB ALA 49 13.881 -7.421 -4.631 267 3HB ALA 49 3HB ALA 49 14.232 -5.685 -4.469 268 H ALA 50 H ALA 50 11.059 -5.962 -1.189 269 HA ALA 50 HA ALA 50 12.811 -3.988 0.026 270 1HB ALA 50 1HB ALA 50 9.949 -3.433 -0.850 271 2HB ALA 50 2HB ALA 50 10.881 -2.398 0.257 272 3HB ALA 50 3HB ALA 50 11.424 -2.617 -1.423 273 H GLY 51 H GLY 51 9.461 -5.403 0.214 274 1HA GLY 51 1HA GLY 51 8.380 -6.415 1.905 275 2HA GLY 51 2HA GLY 51 9.942 -6.893 2.541 276 H SER 52 H SER 52 8.584 -3.572 2.017 277 HA SER 52 HA SER 52 9.693 -2.531 4.263 278 2HB SER 52 2HB SER 52 8.726 -1.173 2.450 279 HG SER 52 HG SER 52 6.323 -0.833 2.597 280 H THR 53 H THR 53 6.298 -3.801 3.832 281 HA THR 53 HA THR 53 6.453 -4.542 6.681 282 HB THR 53 HB THR 53 3.939 -4.132 4.987 283 HG1 THR 53 HG1 THR 53 5.199 -2.149 5.259 284 1HG2 THR 53 1HG2 THR 53 4.469 -4.213 8.004 285 2HG2 THR 53 2HG2 THR 53 2.906 -3.812 7.255 286 3HG2 THR 53 3HG2 THR 53 3.586 -5.446 7.073 287 H THR 54 H THR 54 7.919 -6.233 5.469 288 HA THR 54 HA THR 54 8.156 -8.431 5.228 289 HB THR 54 HB THR 54 5.191 -8.675 5.939 290 HG1 THR 54 HG1 THR 54 5.941 -8.304 8.072 291 1HG2 THR 54 1HG2 THR 54 6.309 -10.832 5.428 292 2HG2 THR 54 2HG2 THR 54 7.666 -10.397 6.494 293 3HG2 THR 54 3HG2 THR 54 6.051 -10.692 7.184 294 H LEU 55 H LEU 55 7.802 -10.215 3.736 295 HA LEU 55 HA LEU 55 6.928 -9.276 1.202 296 2HB LEU 55 2HB LEU 55 7.918 -11.918 2.250 297 HG LEU 55 HG LEU 55 6.424 -12.347 0.291 298 1HD1 LEU 55 1HD1 LEU 55 8.366 -10.514 -1.140 299 2HD1 LEU 55 2HD1 LEU 55 7.184 -11.578 -1.941 300 3HD1 LEU 55 3HD1 LEU 55 6.622 -10.256 -0.891 301 1HD2 LEU 55 1HD2 LEU 55 9.389 -12.785 -0.163 302 2HD2 LEU 55 2HD2 LEU 55 8.297 -13.822 0.785 303 3HD2 LEU 55 3HD2 LEU 55 8.069 -13.662 -0.973 304 H GLY 56 H GLY 56 5.784 -12.021 3.301 305 1HA GLY 56 1HA GLY 56 3.793 -13.071 3.367 306 2HA GLY 56 2HA GLY 56 3.113 -11.456 3.331 307 HA PRO 57 HA PRO 57 3.580 -12.874 -1.151 308 2HB PRO 57 2HB PRO 57 5.360 -14.274 -1.573 309 2HG PRO 57 2HG PRO 57 6.084 -15.486 0.251 310 2HD PRO 57 2HD PRO 57 5.342 -14.137 1.958 311 H GLN 58 H GLN 58 1.794 -14.690 1.081 312 HA GLN 58 HA GLN 58 -0.144 -15.616 -0.691 313 2HB GLN 58 2HB GLN 58 -0.488 -14.760 2.217 314 2HG GLN 58 2HG GLN 58 -2.019 -16.712 0.434 315 1HE2 GLN 58 1HE2 GLN 58 -2.811 -14.928 3.368 316 2HE2 GLN 58 2HE2 GLN 58 -3.140 -16.289 4.390 Start of MODEL 9 1 1H ASP 1 1H ASP 1 -6.049 -4.183 -10.490 2 HA ASP 1 HA ASP 1 -7.518 -5.410 -11.803 3 2HB ASP 1 2HB ASP 1 -4.706 -5.871 -12.905 4 HD2 ASP 1 HD2 ASP 1 -6.145 -5.781 -16.183 5 H GLN 2 H GLN 2 -8.478 -7.386 -11.224 6 HA GLN 2 HA GLN 2 -8.772 -9.516 -10.929 7 2HB GLN 2 2HB GLN 2 -6.324 -10.187 -12.579 8 2HG GLN 2 2HG GLN 2 -9.192 -11.241 -12.531 9 1HE2 GLN 2 1HE2 GLN 2 -9.049 -10.893 -14.862 10 2HE2 GLN 2 2HE2 GLN 2 -8.244 -12.062 -15.854 11 H ASN 3 H ASN 3 -7.055 -8.047 -9.036 12 HA ASN 3 HA ASN 3 -6.149 -10.357 -7.665 13 2HB ASN 3 2HB ASN 3 -3.887 -8.729 -7.314 14 1HD2 ASN 3 1HD2 ASN 3 -4.008 -11.007 -6.461 15 H CYS 4 H CYS 4 -7.965 -9.404 -6.344 16 HA CYS 4 HA CYS 4 -8.616 -8.412 -4.495 17 2HB CYS 4 2HB CYS 4 -5.909 -8.636 -4.098 18 H ASP 5 H ASP 5 -9.115 -6.131 -3.606 19 HA ASP 5 HA ASP 5 -9.426 -4.358 -5.803 20 2HB ASP 5 2HB ASP 5 -10.507 -2.882 -4.058 21 HD2 ASP 5 HD2 ASP 5 -12.521 -6.329 -3.725 22 H ILE 6 H ILE 6 -6.915 -4.213 -6.066 23 HA ILE 6 HA ILE 6 -5.220 -2.895 -4.439 24 HB ILE 6 HB ILE 6 -4.473 -3.634 -6.528 25 1HG2 ILE 6 1HG2 ILE 6 -5.345 -2.336 -8.644 26 2HG2 ILE 6 2HG2 ILE 6 -6.242 -3.726 -7.986 27 3HG2 ILE 6 3HG2 ILE 6 -6.777 -2.068 -7.623 28 1HD1 ILE 6 1HD1 ILE 6 -3.488 -1.453 -4.502 29 2HD1 ILE 6 2HD1 ILE 6 -2.598 -2.706 -5.399 30 3HD1 ILE 6 3HD1 ILE 6 -2.163 -0.991 -5.596 31 H GLY 7 H GLY 7 -5.560 -1.171 -3.114 32 1HA GLY 7 1HA GLY 7 -5.262 1.181 -3.195 33 2HA GLY 7 2HA GLY 7 -6.403 1.279 -4.522 34 H ASN 8 H ASN 8 -7.598 -1.037 -2.363 35 HA ASN 8 HA ASN 8 -9.754 0.625 -1.738 36 2HB ASN 8 2HB ASN 8 -8.912 -2.110 -0.647 37 1HD2 ASN 8 1HD2 ASN 8 -11.948 -0.509 -1.535 38 H ILE 9 H ILE 9 -6.701 -0.262 -0.162 39 HA ILE 9 HA ILE 9 -7.670 0.524 2.458 40 HB ILE 9 HB ILE 9 -6.457 -1.434 2.573 41 1HG2 ILE 9 1HG2 ILE 9 -5.529 -1.752 0.471 42 2HG2 ILE 9 2HG2 ILE 9 -4.650 -0.203 0.507 43 3HG2 ILE 9 3HG2 ILE 9 -4.097 -1.564 1.512 44 1HD1 ILE 9 1HD1 ILE 9 -3.000 -0.243 2.807 45 2HD1 ILE 9 2HD1 ILE 9 -3.902 1.116 2.094 46 3HD1 ILE 9 3HD1 ILE 9 -3.366 1.196 3.790 47 H THR 10 H THR 10 -5.595 1.656 -0.212 48 HA THR 10 HA THR 10 -4.107 3.467 1.389 49 HB THR 10 HB THR 10 -3.343 4.234 -0.912 50 HG1 THR 10 HG1 THR 10 -5.271 3.895 -2.107 51 1HG2 THR 10 1HG2 THR 10 -2.520 1.999 0.224 52 2HG2 THR 10 2HG2 THR 10 -3.587 1.201 -0.956 53 3HG2 THR 10 3HG2 THR 10 -2.235 2.211 -1.520 54 H SER 11 H SER 11 -7.122 3.708 -0.522 55 HA SER 11 HA SER 11 -7.145 6.333 -1.040 56 2HB SER 11 2HB SER 11 -9.502 4.617 -0.141 57 HG SER 11 HG SER 11 -10.235 6.753 -0.227 58 H GLN 12 H GLN 12 -7.848 4.701 2.074 59 HA GLN 12 HA GLN 12 -8.888 7.006 3.302 60 2HB GLN 12 2HB GLN 12 -7.669 4.537 4.616 61 2HG GLN 12 2HG GLN 12 -9.649 6.667 5.535 62 1HE2 GLN 12 1HE2 GLN 12 -10.214 6.344 7.854 63 2HE2 GLN 12 2HE2 GLN 12 -10.693 4.761 8.369 64 H CYS 13 H CYS 13 -5.627 5.548 2.977 65 HA CYS 13 HA CYS 13 -4.586 7.007 5.180 66 2HB CYS 13 2HB CYS 13 -2.453 6.021 4.574 67 H GLN 14 H GLN 14 -4.890 7.409 1.650 68 HA GLN 14 HA GLN 14 -2.625 8.739 1.083 69 2HB GLN 14 2HB GLN 14 -3.887 9.744 -0.835 70 2HG GLN 14 2HG GLN 14 -4.264 7.702 -1.903 71 1HE2 GLN 14 1HE2 GLN 14 -1.960 8.008 -1.824 72 2HE2 GLN 14 2HE2 GLN 14 -0.963 6.914 -0.924 73 H MET 15 H MET 15 -5.809 10.445 1.695 74 HA MET 15 HA MET 15 -4.393 12.875 1.387 75 2HB MET 15 2HB MET 15 -6.736 13.843 1.800 76 2HG MET 15 2HG MET 15 -6.603 11.498 -0.160 77 1HE MET 15 1HE MET 15 -7.551 13.233 -2.630 78 2HE MET 15 2HE MET 15 -8.140 11.590 -2.281 79 3HE MET 15 3HE MET 15 -9.299 12.899 -2.617 80 H GLN 16 H GLN 16 -4.978 10.807 4.049 81 HA GLN 16 HA GLN 16 -5.406 12.721 6.037 82 2HB GLN 16 2HB GLN 16 -4.499 10.816 7.545 83 2HG GLN 16 2HG GLN 16 -6.486 9.302 6.915 84 1HE2 GLN 16 1HE2 GLN 16 -7.865 12.238 5.921 85 2HE2 GLN 16 2HE2 GLN 16 -8.399 12.839 7.455 86 H HIS 17 H HIS 17 -2.502 11.481 4.382 87 HA HIS 17 HA HIS 17 -0.816 13.382 5.604 88 2HB HIS 17 2HB HIS 17 -0.701 12.214 7.573 89 HD1 HIS 17 HD1 HIS 17 -1.512 10.288 8.975 90 HD2 HIS 17 HD2 HIS 17 -0.978 9.228 4.951 91 HE1 HIS 17 HE1 HIS 17 -2.410 7.911 8.735 92 H LYS 18 H LYS 18 -1.159 13.201 3.005 93 HA LYS 18 HA LYS 18 1.493 12.197 2.303 94 2HB LYS 18 2HB LYS 18 0.478 11.747 -0.037 95 2HG LYS 18 2HG LYS 18 -0.579 9.747 1.934 96 2HD LYS 18 2HD LYS 18 -0.148 9.477 -0.643 97 2HE LYS 18 2HE LYS 18 2.279 10.407 -0.302 98 1HZ LYS 18 1HZ LYS 18 2.739 8.741 1.522 99 2HZ LYS 18 2HZ LYS 18 2.774 7.567 0.393 100 H ASN 19 H ASN 19 2.652 13.562 0.851 101 HA ASN 19 HA ASN 19 1.437 16.155 0.493 102 2HB ASN 19 2HB ASN 19 3.774 16.114 1.283 103 1HD2 ASN 19 1HD2 ASN 19 4.622 14.082 1.632 104 H CYS 20 H CYS 20 2.145 13.138 -1.174 105 HA CYS 20 HA CYS 20 0.708 14.292 -3.425 106 2HB CYS 20 2HB CYS 20 3.210 14.101 -3.918 107 H GLU 21 H GLU 21 -1.045 12.974 -3.957 108 HA GLU 21 HA GLU 21 -1.609 11.032 -2.015 109 2HB GLU 21 2HB GLU 21 -3.670 10.712 -3.694 110 2HG GLU 21 2HG GLU 21 -3.763 11.836 -1.460 111 HE2 GLU 21 HE2 GLU 21 -3.813 14.333 -3.693 112 H ASP 22 H ASP 22 -0.037 10.936 -5.108 113 HA ASP 22 HA ASP 22 -0.716 8.405 -5.947 114 2HB ASP 22 2HB ASP 22 1.484 8.460 -7.141 115 HD2 ASP 22 HD2 ASP 22 -0.302 8.781 -8.375 116 H ALA 23 H ALA 23 -0.292 6.401 -4.979 117 HA ALA 23 HA ALA 23 0.830 6.438 -2.405 118 1HB ALA 23 1HB ALA 23 0.070 4.135 -4.248 119 2HB ALA 23 2HB ALA 23 0.395 3.992 -2.504 120 3HB ALA 23 3HB ALA 23 -0.996 4.943 -3.075 121 H ASN 24 H ASN 24 1.965 5.014 -5.549 122 HA ASN 24 HA ASN 24 4.263 3.956 -4.340 123 2HB ASN 24 2HB ASN 24 3.364 2.933 -6.375 124 1HD2 ASN 24 1HD2 ASN 24 1.603 3.759 -7.356 125 H GLY 25 H GLY 25 3.335 7.050 -5.780 126 1HA GLY 25 1HA GLY 25 5.754 7.856 -6.922 127 2HA GLY 25 2HA GLY 25 4.451 8.900 -6.394 128 H CYS 26 H CYS 26 4.294 8.847 -3.733 129 HA CYS 26 HA CYS 26 6.869 9.926 -2.985 130 2HB CYS 26 2HB CYS 26 5.577 10.660 -0.928 131 H ASP 27 H ASP 27 4.482 7.376 -2.063 132 HA ASP 27 HA ASP 27 4.549 5.810 -0.527 133 2HB ASP 27 2HB ASP 27 5.804 4.751 -2.344 134 HD2 ASP 27 HD2 ASP 27 6.916 6.117 -3.483 135 H THR 28 H THR 28 5.050 8.159 0.827 136 HA THR 28 HA THR 28 7.631 7.970 2.166 137 HB THR 28 HB THR 28 5.390 10.051 2.066 138 HG1 THR 28 HG1 THR 28 8.199 9.872 1.225 139 1HG2 THR 28 1HG2 THR 28 6.498 10.285 4.256 140 2HG2 THR 28 2HG2 THR 28 8.097 10.087 3.500 141 3HG2 THR 28 3HG2 THR 28 7.128 11.542 3.165 142 H ILE 29 H ILE 29 4.265 8.643 3.337 143 HA ILE 29 HA ILE 29 5.013 7.247 5.786 144 HB ILE 29 HB ILE 29 3.659 9.619 5.257 145 1HG2 ILE 29 1HG2 ILE 29 1.615 8.436 4.723 146 2HG2 ILE 29 2HG2 ILE 29 1.714 7.514 6.242 147 3HG2 ILE 29 3HG2 ILE 29 1.440 9.272 6.285 148 1HD1 ILE 29 1HD1 ILE 29 3.760 6.799 7.656 149 2HD1 ILE 29 2HD1 ILE 29 4.065 7.811 9.089 150 3HD1 ILE 29 3HD1 ILE 29 2.459 7.814 8.322 151 H ILE 30 H ILE 30 3.010 7.000 2.885 152 HA ILE 30 HA ILE 30 1.195 5.115 4.017 153 HB ILE 30 HB ILE 30 1.184 6.794 1.865 154 1HG2 ILE 30 1HG2 ILE 30 1.474 3.978 0.778 155 2HG2 ILE 30 2HG2 ILE 30 0.988 5.417 -0.149 156 3HG2 ILE 30 3HG2 ILE 30 2.622 5.320 0.550 157 1HD1 ILE 30 1HD1 ILE 30 -1.838 3.832 2.035 158 2HD1 ILE 30 2HD1 ILE 30 -0.726 3.991 0.654 159 3HD1 ILE 30 3HD1 ILE 30 -0.142 3.315 2.193 160 H GLU 31 H GLU 31 4.460 4.984 2.925 161 HA GLU 31 HA GLU 31 4.877 2.571 1.954 162 2HB GLU 31 2HB GLU 31 6.234 3.896 4.333 163 2HG GLU 31 2HG GLU 31 7.065 1.434 2.731 164 HE2 GLU 31 HE2 GLU 31 9.765 3.569 4.826 165 H GLU 32 H GLU 32 3.862 3.262 5.361 166 HA GLU 32 HA GLU 32 4.158 0.465 5.959 167 2HB GLU 32 2HB GLU 32 4.948 2.375 7.477 168 2HG GLU 32 2HG GLU 32 1.997 2.451 8.247 169 HE2 GLU 32 HE2 GLU 32 3.299 3.833 11.132 170 H CYS 33 H CYS 33 1.641 2.898 5.368 171 HA CYS 33 HA CYS 33 -0.465 1.446 6.547 172 2HB CYS 33 2HB CYS 33 -0.859 3.395 4.299 173 H LYS 34 H LYS 34 1.202 1.456 3.387 174 HA LYS 34 HA LYS 34 -1.006 0.389 1.958 175 2HB LYS 34 2HB LYS 34 1.918 0.723 1.234 176 2HG LYS 34 2HG LYS 34 -0.511 -0.208 -0.328 177 2HD LYS 34 2HD LYS 34 0.279 1.758 -1.565 178 2HE LYS 34 2HE LYS 34 3.016 0.495 -1.126 179 1HZ LYS 34 1HZ LYS 34 3.751 2.287 -2.688 180 2HZ LYS 34 2HZ LYS 34 2.920 1.101 -3.436 181 H THR 35 H THR 35 2.270 -1.041 2.736 182 HA THR 35 HA THR 35 1.565 -3.373 1.340 183 HB THR 35 HB THR 35 3.778 -3.374 3.383 184 HG1 THR 35 HG1 THR 35 3.502 -1.670 1.006 185 1HG2 THR 35 1HG2 THR 35 3.652 -3.834 0.355 186 2HG2 THR 35 2HG2 THR 35 5.102 -4.045 1.367 187 3HG2 THR 35 3HG2 THR 35 3.696 -5.114 1.591 188 H SER 36 H SER 36 0.999 -2.359 4.651 189 HA SER 36 HA SER 36 0.720 -4.619 6.009 190 2HB SER 36 2HB SER 36 -1.412 -3.539 6.997 191 HG SER 36 HG SER 36 0.671 -1.584 6.801 192 H MET 37 H MET 37 -1.873 -3.264 3.831 193 HA MET 37 HA MET 37 -3.160 -5.858 3.988 194 2HB MET 37 2HB MET 37 -5.106 -4.529 2.950 195 2HG MET 37 2HG MET 37 -5.493 -3.093 5.014 196 1HE MET 37 1HE MET 37 -4.373 -4.670 7.730 197 2HE MET 37 2HE MET 37 -6.038 -4.080 7.506 198 3HE MET 37 3HE MET 37 -5.748 -5.777 7.961 199 H VAL 38 H VAL 38 -1.153 -3.973 1.913 200 HA VAL 38 HA VAL 38 -2.457 -4.898 -0.517 201 HB VAL 38 HB VAL 38 -0.318 -2.871 0.117 202 1HG1 VAL 38 1HG1 VAL 38 0.467 -3.822 -1.909 203 2HG1 VAL 38 2HG1 VAL 38 -1.177 -3.939 -2.583 204 3HG1 VAL 38 3HG1 VAL 38 -0.412 -2.346 -2.374 205 1HG2 VAL 38 1HG2 VAL 38 -2.274 -1.748 0.458 206 2HG2 VAL 38 2HG2 VAL 38 -2.163 -1.541 -1.307 207 3HG2 VAL 38 3HG2 VAL 38 -3.206 -2.812 -0.623 208 H GLU 39 H GLU 39 -0.247 -6.089 1.693 209 HA GLU 39 HA GLU 39 1.965 -6.785 0.360 210 2HB GLU 39 2HB GLU 39 0.715 -8.970 1.981 211 2HG GLU 39 2HG GLU 39 2.903 -8.801 3.164 212 HE2 GLU 39 HE2 GLU 39 4.047 -7.709 0.283 213 H ARG 40 H ARG 40 -1.219 -8.512 0.279 214 HA ARG 40 HA ARG 40 -0.261 -10.606 -1.276 215 2HB ARG 40 2HB ARG 40 -3.070 -9.510 -0.795 216 2HG ARG 40 2HG ARG 40 -2.155 -11.989 -2.312 217 2HD ARG 40 2HD ARG 40 -4.658 -12.557 -2.301 218 HE ARG 40 HE ARG 40 -2.723 -13.180 -0.327 219 1HH1 ARG 40 1HH1 ARG 40 -6.250 -13.149 -0.657 220 2HH1 ARG 40 2HH1 ARG 40 -6.499 -14.353 0.563 221 2HH2 ARG 40 2HH2 ARG 40 -4.603 -15.304 1.678 222 H CYS 41 H CYS 41 -1.417 -7.340 -2.010 223 HA CYS 41 HA CYS 41 -1.824 -8.065 -4.803 224 2HB CYS 41 2HB CYS 41 -3.269 -6.319 -5.004 225 H GLN 42 H GLN 42 0.825 -7.745 -3.258 226 HA GLN 42 HA GLN 42 2.061 -5.400 -3.797 227 2HB GLN 42 2HB GLN 42 3.070 -7.224 -2.482 228 2HG GLN 42 2HG GLN 42 3.596 -8.586 -5.164 229 1HE2 GLN 42 1HE2 GLN 42 2.856 -9.773 -1.934 230 2HE2 GLN 42 2HE2 GLN 42 4.362 -10.574 -1.631 231 H ASN 43 H ASN 43 1.138 -7.997 -6.029 232 HA ASN 43 HA ASN 43 2.839 -7.427 -8.101 233 2HB ASN 43 2HB ASN 43 -0.096 -8.277 -8.321 234 1HD2 ASN 43 1HD2 ASN 43 -0.251 -7.397 -10.373 235 H GLN 44 H GLN 44 -0.385 -6.044 -7.162 236 HA GLN 44 HA GLN 44 -0.638 -4.804 -9.710 237 2HB GLN 44 2HB GLN 44 -2.799 -3.893 -8.609 238 2HG GLN 44 2HG GLN 44 -3.883 -6.153 -8.628 239 1HE2 GLN 44 1HE2 GLN 44 -2.562 -7.905 -10.590 240 2HE2 GLN 44 2HE2 GLN 44 -2.540 -7.072 -12.108 241 H GLU 45 H GLU 45 0.149 -3.839 -6.351 242 HA GLU 45 HA GLU 45 0.208 -1.076 -7.050 243 2HB GLU 45 2HB GLU 45 -0.297 -2.103 -4.727 244 2HG GLU 45 2HG GLU 45 2.473 -2.923 -5.094 245 HE2 GLU 45 HE2 GLU 45 3.094 -0.631 -4.897 246 H PHE 46 H PHE 46 2.112 -3.563 -8.055 247 HA PHE 46 HA PHE 46 4.286 -4.154 -7.862 248 2HB PHE 46 2HB PHE 46 4.343 -3.046 -9.972 249 HD1 PHE 46 HD1 PHE 46 5.409 0.129 -8.650 250 HD2 PHE 46 HD2 PHE 46 2.066 -2.003 -10.160 251 HE1 PHE 46 HE1 PHE 46 4.212 2.296 -9.058 252 HE2 PHE 46 HE2 PHE 46 0.868 0.165 -10.568 253 HZ PHE 46 HZ PHE 46 1.955 2.289 -10.012 254 H GLU 47 H GLU 47 4.571 -4.135 -5.511 255 HA GLU 47 HA GLU 47 5.041 -1.789 -4.125 256 2HB GLU 47 2HB GLU 47 4.382 -4.145 -3.261 257 2HG GLU 47 2HG GLU 47 6.643 -5.076 -4.284 258 HE2 GLU 47 HE2 GLU 47 8.543 -5.736 -3.551 259 H SER 48 H SER 48 6.887 -0.586 -3.681 260 HA SER 48 HA SER 48 9.460 -1.590 -4.214 261 2HB SER 48 2HB SER 48 9.983 -0.084 -6.148 262 HG SER 48 HG SER 48 8.985 -2.403 -6.328 263 H ALA 49 H ALA 49 8.679 -0.553 -1.896 264 HA ALA 49 HA ALA 49 8.474 2.255 -1.788 265 1HB ALA 49 1HB ALA 49 8.652 1.877 0.655 266 2HB ALA 49 2HB ALA 49 7.513 0.740 -0.103 267 3HB ALA 49 3HB ALA 49 9.145 0.194 0.353 268 H ALA 50 H ALA 50 10.008 3.853 -1.320 269 HA ALA 50 HA ALA 50 12.645 3.119 -2.182 270 1HB ALA 50 1HB ALA 50 11.449 5.787 -1.329 271 2HB ALA 50 2HB ALA 50 13.011 5.557 -2.152 272 3HB ALA 50 3HB ALA 50 11.494 5.152 -2.991 273 H GLY 51 H GLY 51 10.982 4.083 0.848 274 1HA GLY 51 1HA GLY 51 13.296 4.142 2.478 275 2HA GLY 51 2HA GLY 51 11.641 3.883 2.991 276 H SER 52 H SER 52 11.176 1.529 1.216 277 HA SER 52 HA SER 52 11.453 -0.620 1.127 278 2HB SER 52 2HB SER 52 13.787 -1.531 1.079 279 HG SER 52 HG SER 52 12.847 -0.206 -0.748 280 H THR 53 H THR 53 10.579 0.409 3.640 281 HA THR 53 HA THR 53 11.239 -1.956 5.186 282 HB THR 53 HB THR 53 12.857 -0.364 6.087 283 HG1 THR 53 HG1 THR 53 11.713 -1.496 7.734 284 1HG2 THR 53 1HG2 THR 53 12.306 1.851 6.814 285 2HG2 THR 53 2HG2 THR 53 11.506 1.715 5.230 286 3HG2 THR 53 3HG2 THR 53 10.558 1.532 6.725 287 H THR 54 H THR 54 9.271 -2.892 5.181 288 HA THR 54 HA THR 54 7.039 -1.455 6.280 289 HB THR 54 HB THR 54 7.181 -0.618 3.889 290 HG1 THR 54 HG1 THR 54 4.915 -1.010 3.703 291 1HG2 THR 54 1HG2 THR 54 6.562 -2.169 2.081 292 2HG2 THR 54 2HG2 THR 54 8.037 -2.783 2.865 293 3HG2 THR 54 3HG2 THR 54 6.459 -3.522 3.234 294 H LEU 55 H LEU 55 4.954 -2.954 5.889 295 HA LEU 55 HA LEU 55 5.699 -5.534 6.868 296 2HB LEU 55 2HB LEU 55 3.142 -5.849 6.626 297 HG LEU 55 HG LEU 55 4.392 -5.213 8.780 298 1HD1 LEU 55 1HD1 LEU 55 5.064 -2.980 8.313 299 2HD1 LEU 55 2HD1 LEU 55 3.398 -2.487 7.924 300 3HD1 LEU 55 3HD1 LEU 55 3.836 -2.899 9.599 301 1HD2 LEU 55 1HD2 LEU 55 1.501 -4.383 8.412 302 2HD2 LEU 55 2HD2 LEU 55 2.096 -6.025 8.752 303 3HD2 LEU 55 3HD2 LEU 55 2.295 -4.737 9.965 304 H GLY 56 H GLY 56 7.100 -6.112 4.986 305 1HA GLY 56 1HA GLY 56 5.741 -7.585 2.970 306 2HA GLY 56 2HA GLY 56 6.265 -6.031 2.350 307 HA PRO 57 HA PRO 57 9.717 -8.929 2.004 308 2HB PRO 57 2HB PRO 57 9.247 -9.696 -0.116 309 2HG PRO 57 2HG PRO 57 7.638 -8.489 -1.243 310 2HD PRO 57 2HD PRO 57 6.498 -7.572 0.530 311 H GLN 58 H GLN 58 9.405 -5.596 1.703 312 HA GLN 58 HA GLN 58 12.166 -5.389 2.502 313 2HB GLN 58 2HB GLN 58 12.301 -5.063 0.076 314 2HG GLN 58 2HG GLN 58 10.166 -2.934 0.562 315 1HE2 GLN 58 1HE2 GLN 58 10.324 -4.251 -2.492 316 2HE2 GLN 58 2HE2 GLN 58 11.275 -3.069 -3.329 Start of MODEL 10 1 1H ASP 1 1H ASP 1 -6.006 -3.308 -9.612 2 HA ASP 1 HA ASP 1 -7.118 -4.572 -8.013 3 2HB ASP 1 2HB ASP 1 -8.414 -2.625 -8.695 4 HD2 ASP 1 HD2 ASP 1 -10.527 -2.214 -9.614 5 H GLN 2 H GLN 2 -6.497 -6.138 -10.776 6 HA GLN 2 HA GLN 2 -8.775 -7.733 -11.163 7 2HB GLN 2 2HB GLN 2 -7.060 -7.303 -12.919 8 2HG GLN 2 2HG GLN 2 -5.159 -7.745 -11.063 9 1HE2 GLN 2 1HE2 GLN 2 -5.533 -10.209 -13.601 10 2HE2 GLN 2 2HE2 GLN 2 -5.152 -11.592 -12.629 11 H ASN 3 H ASN 3 -6.197 -7.730 -8.830 12 HA ASN 3 HA ASN 3 -6.679 -10.502 -8.182 13 2HB ASN 3 2HB ASN 3 -4.952 -8.683 -6.490 14 1HD2 ASN 3 1HD2 ASN 3 -5.725 -10.529 -5.142 15 H CYS 4 H CYS 4 -6.745 -7.182 -6.669 16 HA CYS 4 HA CYS 4 -9.290 -7.811 -5.534 17 2HB CYS 4 2HB CYS 4 -8.559 -8.497 -3.553 18 H ASP 5 H ASP 5 -6.676 -5.485 -4.551 19 HA ASP 5 HA ASP 5 -7.529 -3.321 -5.971 20 2HB ASP 5 2HB ASP 5 -8.638 -2.701 -3.327 21 HD2 ASP 5 HD2 ASP 5 -10.255 -3.765 -6.055 22 H ILE 6 H ILE 6 -5.496 -2.345 -5.785 23 HA ILE 6 HA ILE 6 -3.962 -2.480 -3.408 24 HB ILE 6 HB ILE 6 -2.431 -1.028 -4.564 25 1HG2 ILE 6 1HG2 ILE 6 -2.732 -3.498 -5.175 26 2HG2 ILE 6 2HG2 ILE 6 -3.520 -2.906 -6.658 27 3HG2 ILE 6 3HG2 ILE 6 -1.830 -2.466 -6.311 28 1HD1 ILE 6 1HD1 ILE 6 -2.391 -0.677 -7.707 29 2HD1 ILE 6 2HD1 ILE 6 -2.903 1.020 -7.541 30 3HD1 ILE 6 3HD1 ILE 6 -1.717 0.333 -6.405 31 H GLY 7 H GLY 7 -6.620 -0.491 -4.494 32 1HA GLY 7 1HA GLY 7 -5.709 1.800 -2.892 33 2HA GLY 7 2HA GLY 7 -6.895 1.824 -4.182 34 H ASN 8 H ASN 8 -6.666 -0.525 -1.444 35 HA ASN 8 HA ASN 8 -9.394 0.152 -0.807 36 2HB ASN 8 2HB ASN 8 -8.625 -2.260 -1.027 37 1HD2 ASN 8 1HD2 ASN 8 -6.435 -2.636 -1.161 38 H ILE 9 H ILE 9 -6.043 0.277 0.446 39 HA ILE 9 HA ILE 9 -7.035 1.253 3.023 40 HB ILE 9 HB ILE 9 -5.553 -0.751 2.947 41 1HG2 ILE 9 1HG2 ILE 9 -3.413 1.224 2.110 42 2HG2 ILE 9 2HG2 ILE 9 -3.192 -0.500 2.491 43 3HG2 ILE 9 3HG2 ILE 9 -4.134 -0.018 1.060 44 1HD1 ILE 9 1HD1 ILE 9 -6.762 1.281 5.211 45 2HD1 ILE 9 2HD1 ILE 9 -6.629 -0.470 4.921 46 3HD1 ILE 9 3HD1 ILE 9 -5.782 0.271 6.300 47 H THR 10 H THR 10 -4.955 2.011 0.197 48 HA THR 10 HA THR 10 -3.794 4.298 1.440 49 HB THR 10 HB THR 10 -2.946 4.609 -0.969 50 HG1 THR 10 HG1 THR 10 -3.620 2.807 -2.364 51 1HG2 THR 10 1HG2 THR 10 -2.687 1.693 -0.128 52 2HG2 THR 10 2HG2 THR 10 -1.474 2.725 -0.922 53 3HG2 THR 10 3HG2 THR 10 -1.873 2.979 0.794 54 H SER 11 H SER 11 -6.788 3.675 -0.285 55 HA SER 11 HA SER 11 -7.467 6.161 -1.100 56 2HB SER 11 2HB SER 11 -9.163 4.107 0.383 57 HG SER 11 HG SER 11 -10.408 5.972 0.363 58 H GLN 12 H GLN 12 -7.331 4.830 2.241 59 HA GLN 12 HA GLN 12 -8.333 7.252 3.355 60 2HB GLN 12 2HB GLN 12 -6.951 4.904 4.727 61 2HG GLN 12 2HG GLN 12 -8.711 7.189 5.718 62 1HE2 GLN 12 1HE2 GLN 12 -6.698 4.673 7.195 63 2HE2 GLN 12 2HE2 GLN 12 -7.897 4.021 8.263 64 H CYS 13 H CYS 13 -5.114 5.597 3.059 65 HA CYS 13 HA CYS 13 -3.898 7.175 4.987 66 2HB CYS 13 2HB CYS 13 -1.812 6.248 4.212 67 H GLN 14 H GLN 14 -4.283 7.496 1.422 68 HA GLN 14 HA GLN 14 -2.267 9.343 1.055 69 2HB GLN 14 2HB GLN 14 -3.723 9.926 -1.054 70 2HG GLN 14 2HG GLN 14 -2.723 7.106 -0.443 71 1HE2 GLN 14 1HE2 GLN 14 -4.881 6.670 -1.599 72 2HE2 GLN 14 2HE2 GLN 14 -4.716 6.378 -3.298 73 H MET 15 H MET 15 -5.785 9.752 1.756 74 HA MET 15 HA MET 15 -5.590 12.579 1.572 75 2HB MET 15 2HB MET 15 -7.979 12.440 2.438 76 2HG MET 15 2HG MET 15 -8.869 10.971 0.567 77 1HE MET 15 1HE MET 15 -9.093 11.833 -1.949 78 2HE MET 15 2HE MET 15 -7.892 12.901 -2.717 79 3HE MET 15 3HE MET 15 -7.430 11.257 -2.216 80 H GLN 16 H GLN 16 -5.295 10.116 4.115 81 HA GLN 16 HA GLN 16 -6.115 11.828 6.191 82 2HB GLN 16 2HB GLN 16 -4.550 9.214 6.338 83 2HG GLN 16 2HG GLN 16 -4.644 10.616 8.458 84 1HE2 GLN 16 1HE2 GLN 16 -7.728 8.896 8.225 85 2HE2 GLN 16 2HE2 GLN 16 -8.755 10.192 8.743 86 H HIS 17 H HIS 17 -2.903 10.650 4.989 87 HA HIS 17 HA HIS 17 -1.592 12.772 6.415 88 2HB HIS 17 2HB HIS 17 -1.597 11.434 8.286 89 HD1 HIS 17 HD1 HIS 17 -2.385 9.316 9.371 90 HD2 HIS 17 HD2 HIS 17 -1.051 8.690 5.444 91 HE1 HIS 17 HE1 HIS 17 -2.889 6.875 8.825 92 H LYS 18 H LYS 18 -1.495 12.968 3.891 93 HA LYS 18 HA LYS 18 1.100 12.118 3.095 94 2HB LYS 18 2HB LYS 18 -0.573 11.085 1.009 95 2HG LYS 18 2HG LYS 18 0.725 8.989 1.563 96 2HD LYS 18 2HD LYS 18 1.782 11.575 0.775 97 2HE LYS 18 2HE LYS 18 3.215 11.273 2.840 98 1HZ LYS 18 1HZ LYS 18 3.272 8.795 2.698 99 2HZ LYS 18 2HZ LYS 18 4.251 8.893 1.400 100 H ASN 19 H ASN 19 -2.152 13.181 1.798 101 HA ASN 19 HA ASN 19 -2.627 14.392 0.065 102 2HB ASN 19 2HB ASN 19 -1.545 16.547 -0.228 103 1HD2 ASN 19 1HD2 ASN 19 -3.486 16.340 1.243 104 H CYS 20 H CYS 20 -1.539 15.331 -2.184 105 HA CYS 20 HA CYS 20 -0.109 15.145 -3.873 106 2HB CYS 20 2HB CYS 20 1.553 14.370 -1.847 107 H GLU 21 H GLU 21 -0.746 11.968 -2.182 108 HA GLU 21 HA GLU 21 -2.194 10.428 -2.686 109 2HB GLU 21 2HB GLU 21 -3.191 12.122 -5.011 110 2HG GLU 21 2HG GLU 21 -4.614 10.210 -3.099 111 HE2 GLU 21 HE2 GLU 21 -6.370 9.446 -4.616 112 H ASP 22 H ASP 22 0.266 9.802 -3.498 113 HA ASP 22 HA ASP 22 -0.165 8.634 -6.114 114 2HB ASP 22 2HB ASP 22 1.997 9.326 -6.928 115 HD2 ASP 22 HD2 ASP 22 -0.310 12.248 -6.824 116 H ALA 23 H ALA 23 0.139 6.427 -5.784 117 HA ALA 23 HA ALA 23 1.723 5.561 -3.522 118 1HB ALA 23 1HB ALA 23 0.827 3.329 -4.151 119 2HB ALA 23 2HB ALA 23 -0.465 4.538 -3.955 120 3HB ALA 23 3HB ALA 23 0.063 4.056 -5.585 121 H ASN 24 H ASN 24 3.625 6.726 -4.769 122 HA ASN 24 HA ASN 24 5.269 4.717 -5.741 123 2HB ASN 24 2HB ASN 24 4.237 4.737 -7.878 124 1HD2 ASN 24 1HD2 ASN 24 5.202 7.980 -8.456 125 H GLY 25 H GLY 25 4.385 8.235 -5.982 126 1HA GLY 25 1HA GLY 25 7.133 9.048 -6.295 127 2HA GLY 25 2HA GLY 25 5.710 10.069 -6.219 128 H CYS 26 H CYS 26 4.527 9.512 -3.788 129 HA CYS 26 HA CYS 26 6.495 10.856 -2.146 130 2HB CYS 26 2HB CYS 26 4.658 11.616 -0.820 131 H ASP 27 H ASP 27 7.528 8.489 -2.127 132 HA ASP 27 HA ASP 27 6.043 6.603 -0.598 133 2HB ASP 27 2HB ASP 27 7.424 5.756 -2.395 134 HD2 ASP 27 HD2 ASP 27 11.153 6.368 -1.997 135 H THR 28 H THR 28 5.895 7.354 1.596 136 HA THR 28 HA THR 28 8.326 6.786 3.047 137 HB THR 28 HB THR 28 7.011 9.515 2.938 138 HG1 THR 28 HG1 THR 28 9.074 9.007 1.894 139 1HG2 THR 28 1HG2 THR 28 8.310 10.029 5.076 140 2HG2 THR 28 2HG2 THR 28 6.868 9.019 5.336 141 3HG2 THR 28 3HG2 THR 28 8.484 8.274 5.319 142 H ILE 29 H ILE 29 5.056 8.236 3.672 143 HA ILE 29 HA ILE 29 4.732 6.388 5.859 144 HB ILE 29 HB ILE 29 3.557 8.894 4.946 145 1HG2 ILE 29 1HG2 ILE 29 1.581 7.649 4.477 146 2HG2 ILE 29 2HG2 ILE 29 1.732 6.717 5.986 147 3HG2 ILE 29 3HG2 ILE 29 1.342 8.452 6.047 148 1HD1 ILE 29 1HD1 ILE 29 3.519 6.362 7.640 149 2HD1 ILE 29 2HD1 ILE 29 3.865 7.510 8.956 150 3HD1 ILE 29 3HD1 ILE 29 2.271 7.516 8.165 151 H ILE 30 H ILE 30 3.635 6.832 2.492 152 HA ILE 30 HA ILE 30 1.440 5.059 2.732 153 HB ILE 30 HB ILE 30 1.781 6.957 1.085 154 1HG2 ILE 30 1HG2 ILE 30 2.988 6.611 -0.911 155 2HG2 ILE 30 2HG2 ILE 30 4.086 6.133 0.405 156 3HG2 ILE 30 3HG2 ILE 30 3.250 4.888 -0.554 157 1HD1 ILE 30 1HD1 ILE 30 -0.789 5.793 -1.192 158 2HD1 ILE 30 2HD1 ILE 30 -0.083 7.203 -0.366 159 3HD1 ILE 30 3HD1 ILE 30 0.848 6.346 -1.619 160 H GLU 31 H GLU 31 4.881 4.656 2.439 161 HA GLU 31 HA GLU 31 5.023 2.347 0.980 162 2HB GLU 31 2HB GLU 31 6.709 3.230 3.363 163 2HG GLU 31 2HG GLU 31 7.272 1.209 1.142 164 HE2 GLU 31 HE2 GLU 31 10.472 2.631 1.658 165 H GLU 32 H GLU 32 4.485 2.799 4.534 166 HA GLU 32 HA GLU 32 4.297 -0.043 4.853 167 2HB GLU 32 2HB GLU 32 3.658 1.940 7.041 168 2HG GLU 32 2HG GLU 32 5.141 0.228 8.287 169 HE2 GLU 32 HE2 GLU 32 3.188 -1.603 6.307 170 H CYS 33 H CYS 33 2.185 2.861 4.850 171 HA CYS 33 HA CYS 33 -0.045 1.625 5.973 172 2HB CYS 33 2HB CYS 33 -0.289 3.863 3.992 173 H LYS 34 H LYS 34 1.337 1.763 2.687 174 HA LYS 34 HA LYS 34 -0.962 0.606 1.445 175 2HB LYS 34 2HB LYS 34 1.890 0.896 0.453 176 2HG LYS 34 2HG LYS 34 -0.761 0.217 -0.887 177 2HD LYS 34 2HD LYS 34 0.207 1.986 -2.250 178 2HE LYS 34 2HE LYS 34 2.802 0.458 -1.801 179 1HZ LYS 34 1HZ LYS 34 3.705 2.026 -3.485 180 2HZ LYS 34 2HZ LYS 34 2.679 0.951 -4.151 181 H THR 35 H THR 35 2.372 -0.607 2.266 182 HA THR 35 HA THR 35 1.973 -3.136 1.226 183 HB THR 35 HB THR 35 3.771 -2.071 3.463 184 HG1 THR 35 HG1 THR 35 4.292 -1.165 1.445 185 1HG2 THR 35 1HG2 THR 35 3.919 -4.669 1.843 186 2HG2 THR 35 2HG2 THR 35 5.244 -4.021 2.841 187 3HG2 THR 35 3HG2 THR 35 3.727 -4.547 3.608 188 H SER 36 H SER 36 0.960 -1.774 4.347 189 HA SER 36 HA SER 36 0.729 -3.921 5.887 190 2HB SER 36 2HB SER 36 -1.525 -2.801 6.670 191 HG SER 36 HG SER 36 0.988 -1.361 6.581 192 H MET 37 H MET 37 -1.924 -2.810 3.638 193 HA MET 37 HA MET 37 -3.146 -5.404 4.037 194 2HB MET 37 2HB MET 37 -5.141 -4.249 2.962 195 2HG MET 37 2HG MET 37 -5.474 -2.510 4.769 196 1HE MET 37 1HE MET 37 -4.288 -3.426 7.675 197 2HE MET 37 2HE MET 37 -5.998 -3.057 7.344 198 3HE MET 37 3HE MET 37 -5.555 -4.588 8.136 199 H VAL 38 H VAL 38 -1.454 -3.464 1.625 200 HA VAL 38 HA VAL 38 -2.760 -4.733 -0.599 201 HB VAL 38 HB VAL 38 -0.500 -2.740 -0.359 202 1HG1 VAL 38 1HG1 VAL 38 -0.928 -2.352 -2.818 203 2HG1 VAL 38 2HG1 VAL 38 -0.145 -3.900 -2.420 204 3HG1 VAL 38 3HG1 VAL 38 -1.879 -3.858 -2.818 205 1HG2 VAL 38 1HG2 VAL 38 -3.457 -2.486 -0.958 206 2HG2 VAL 38 2HG2 VAL 38 -2.522 -1.723 0.351 207 3HG2 VAL 38 3HG2 VAL 38 -2.282 -1.203 -1.334 208 H GLU 39 H GLU 39 -0.206 -5.530 1.549 209 HA GLU 39 HA GLU 39 1.553 -6.961 0.202 210 2HB GLU 39 2HB GLU 39 0.582 -8.821 2.094 211 2HG GLU 39 2HG GLU 39 2.357 -7.736 3.570 212 HE2 GLU 39 HE2 GLU 39 3.963 -6.934 0.874 213 H ARG 40 H ARG 40 -1.934 -7.838 0.612 214 HA ARG 40 HA ARG 40 -1.427 -10.366 -0.605 215 2HB ARG 40 2HB ARG 40 -3.020 -10.134 1.306 216 2HG ARG 40 2HG ARG 40 -3.998 -7.932 -0.256 217 2HD ARG 40 2HD ARG 40 -6.042 -10.153 0.224 218 HE ARG 40 HE ARG 40 -6.436 -7.306 0.271 219 1HH1 ARG 40 1HH1 ARG 40 -7.849 -10.243 -1.121 220 2HH1 ARG 40 2HH1 ARG 40 -9.444 -9.576 -1.220 221 2HH2 ARG 40 2HH2 ARG 40 -9.816 -7.313 -0.525 222 H CYS 41 H CYS 41 -2.142 -7.188 -1.661 223 HA CYS 41 HA CYS 41 -3.270 -8.239 -4.151 224 2HB CYS 41 2HB CYS 41 -4.101 -6.010 -4.602 225 H GLN 42 H GLN 42 -0.386 -8.138 -3.022 226 HA GLN 42 HA GLN 42 0.963 -6.021 -4.160 227 2HB GLN 42 2HB GLN 42 1.944 -8.832 -3.498 228 2HG GLN 42 2HG GLN 42 4.036 -7.049 -3.090 229 1HE2 GLN 42 1HE2 GLN 42 4.343 -9.455 -3.037 230 2HE2 GLN 42 2HE2 GLN 42 4.918 -10.236 -4.472 231 H ASN 43 H ASN 43 -0.409 -8.913 -5.577 232 HA ASN 43 HA ASN 43 1.084 -9.434 -7.714 233 2HB ASN 43 2HB ASN 43 -1.941 -8.971 -7.839 234 1HD2 ASN 43 1HD2 ASN 43 -2.881 -10.929 -9.032 235 H GLN 44 H GLN 44 -1.073 -6.601 -7.152 236 HA GLN 44 HA GLN 44 -0.525 -5.589 -9.784 237 2HB GLN 44 2HB GLN 44 -1.889 -3.575 -8.536 238 2HG GLN 44 2HG GLN 44 -2.494 -5.053 -10.590 239 1HE2 GLN 44 1HE2 GLN 44 -1.995 -7.228 -10.469 240 2HE2 GLN 44 2HE2 GLN 44 -3.117 -8.409 -9.881 241 H GLU 45 H GLU 45 0.085 -4.678 -6.325 242 HA GLU 45 HA GLU 45 1.211 -2.237 -6.905 243 2HB GLU 45 2HB GLU 45 1.902 -4.009 -4.523 244 2HG GLU 45 2HG GLU 45 1.450 -1.030 -4.422 245 HE2 GLU 45 HE2 GLU 45 2.372 -2.983 -1.380 246 H PHE 46 H PHE 46 3.176 -1.636 -7.783 247 HA PHE 46 HA PHE 46 5.300 -3.478 -8.104 248 2HB PHE 46 2HB PHE 46 5.167 -0.404 -7.987 249 HD1 PHE 46 HD1 PHE 46 7.264 0.517 -7.759 250 HD2 PHE 46 HD2 PHE 46 6.847 -3.030 -10.052 251 HE1 PHE 46 HE1 PHE 46 9.701 0.614 -8.352 252 HE2 PHE 46 HE2 PHE 46 9.284 -2.932 -10.645 253 HZ PHE 46 HZ PHE 46 10.682 -1.112 -9.788 254 H GLU 47 H GLU 47 5.109 -4.275 -5.734 255 HA GLU 47 HA GLU 47 5.936 -2.421 -3.755 256 2HB GLU 47 2HB GLU 47 5.715 -5.451 -3.517 257 2HG GLU 47 2HG GLU 47 5.904 -3.132 -1.605 258 HE2 GLU 47 HE2 GLU 47 4.221 -2.932 -0.156 259 H SER 48 H SER 48 8.011 -1.800 -4.876 260 HA SER 48 HA SER 48 10.138 -1.929 -5.290 261 2HB SER 48 2HB SER 48 10.028 -2.424 -2.718 262 HG SER 48 HG SER 48 9.640 -4.683 -2.792 263 H ALA 49 H ALA 49 8.392 -3.679 -6.837 264 HA ALA 49 HA ALA 49 9.574 -6.319 -6.750 265 1HB ALA 49 1HB ALA 49 7.294 -5.208 -8.435 266 2HB ALA 49 2HB ALA 49 7.695 -6.923 -8.179 267 3HB ALA 49 3HB ALA 49 7.102 -5.936 -6.821 268 H ALA 50 H ALA 50 11.662 -4.882 -7.490 269 HA ALA 50 HA ALA 50 11.424 -3.923 -10.196 270 1HB ALA 50 1HB ALA 50 13.732 -3.899 -8.209 271 2HB ALA 50 2HB ALA 50 13.675 -3.010 -9.750 272 3HB ALA 50 3HB ALA 50 12.542 -2.596 -8.442 273 H GLY 51 H GLY 51 13.014 -6.568 -8.368 274 1HA GLY 51 1HA GLY 51 14.723 -7.473 -10.401 275 2HA GLY 51 2HA GLY 51 14.114 -8.406 -9.048 276 H SER 52 H SER 52 11.251 -8.094 -9.668 277 HA SER 52 HA SER 52 11.066 -10.225 -11.494 278 2HB SER 52 2HB SER 52 9.372 -10.335 -9.920 279 HG SER 52 HG SER 52 8.981 -7.478 -10.221 280 H THR 53 H THR 53 10.597 -6.677 -11.623 281 HA THR 53 HA THR 53 9.148 -6.659 -14.056 282 HB THR 53 HB THR 53 10.768 -4.557 -12.528 283 HG1 THR 53 HG1 THR 53 8.909 -5.229 -11.383 284 1HG2 THR 53 1HG2 THR 53 10.413 -3.814 -14.887 285 2HG2 THR 53 2HG2 THR 53 8.690 -4.245 -14.760 286 3HG2 THR 53 3HG2 THR 53 9.350 -2.915 -13.778 287 H THR 54 H THR 54 9.807 -7.165 -16.041 288 HA THR 54 HA THR 54 11.173 -7.715 -17.711 289 HB THR 54 HB THR 54 12.942 -5.422 -16.738 290 HG1 THR 54 HG1 THR 54 11.271 -4.095 -17.628 291 1HG2 THR 54 1HG2 THR 54 13.614 -6.651 -18.851 292 2HG2 THR 54 2HG2 THR 54 12.008 -6.285 -19.525 293 3HG2 THR 54 3HG2 THR 54 13.141 -4.962 -19.156 294 H LEU 55 H LEU 55 11.458 -9.347 -15.479 295 HA LEU 55 HA LEU 55 14.161 -9.781 -14.859 296 2HB LEU 55 2HB LEU 55 11.804 -11.670 -14.921 297 HG LEU 55 HG LEU 55 14.597 -12.061 -14.010 298 1HD1 LEU 55 1HD1 LEU 55 13.561 -11.746 -11.849 299 2HD1 LEU 55 2HD1 LEU 55 12.249 -12.871 -12.275 300 3HD1 LEU 55 3HD1 LEU 55 13.914 -13.473 -12.097 301 1HD2 LEU 55 1HD2 LEU 55 12.345 -13.972 -14.685 302 2HD2 LEU 55 2HD2 LEU 55 13.614 -13.406 -15.799 303 3HD2 LEU 55 3HD2 LEU 55 14.046 -14.410 -14.395 304 H GLY 56 H GLY 56 12.037 -10.812 -17.564 305 1HA GLY 56 1HA GLY 56 14.210 -11.137 -19.331 306 2HA GLY 56 2HA GLY 56 13.735 -12.707 -18.715 307 HA PRO 57 HA PRO 57 10.890 -11.653 -22.134 308 2HB PRO 57 2HB PRO 57 12.226 -12.006 -23.976 309 2HG PRO 57 2HG PRO 57 14.281 -12.942 -23.511 310 2HD PRO 57 2HD PRO 57 14.535 -12.299 -21.318 311 H GLN 58 H GLN 58 8.989 -12.805 -22.948 312 HA GLN 58 HA GLN 58 8.026 -14.379 -20.847 313 2HB GLN 58 2HB GLN 58 6.882 -14.022 -23.653 314 2HG GLN 58 2HG GLN 58 5.850 -15.849 -22.228 315 1HE2 GLN 58 1HE2 GLN 58 6.180 -16.351 -20.179 316 2HE2 GLN 58 2HE2 GLN 58 5.622 -15.465 -18.800 Start of MODEL 11 1 1H ASP 1 1H ASP 1 -3.002 -2.955 -12.743 2 HA ASP 1 HA ASP 1 -4.084 -0.920 -12.868 3 2HB ASP 1 2HB ASP 1 -5.218 -0.787 -14.880 4 HD2 ASP 1 HD2 ASP 1 -6.009 -3.511 -16.789 5 H GLN 2 H GLN 2 -5.923 -4.047 -12.661 6 HA GLN 2 HA GLN 2 -6.273 -3.702 -9.887 7 2HB GLN 2 2HB GLN 2 -8.088 -2.219 -10.511 8 2HG GLN 2 2HG GLN 2 -9.069 -4.520 -12.269 9 1HE2 GLN 2 1HE2 GLN 2 -11.006 -4.416 -10.951 10 2HE2 GLN 2 2HE2 GLN 2 -12.188 -3.183 -11.240 11 H ASN 3 H ASN 3 -7.484 -5.633 -8.928 12 HA ASN 3 HA ASN 3 -8.089 -7.793 -10.590 13 2HB ASN 3 2HB ASN 3 -5.682 -8.030 -10.922 14 1HD2 ASN 3 1HD2 ASN 3 -4.129 -9.501 -8.973 15 H CYS 4 H CYS 4 -6.760 -6.661 -7.415 16 HA CYS 4 HA CYS 4 -8.746 -8.374 -6.104 17 2HB CYS 4 2HB CYS 4 -6.823 -9.268 -5.279 18 H ASP 5 H ASP 5 -6.771 -5.328 -5.750 19 HA ASP 5 HA ASP 5 -9.127 -3.912 -4.985 20 2HB ASP 5 2HB ASP 5 -7.884 -3.097 -2.835 21 HD2 ASP 5 HD2 ASP 5 -9.389 -6.699 -1.970 22 H ILE 6 H ILE 6 -5.472 -3.859 -4.667 23 HA ILE 6 HA ILE 6 -4.246 -1.972 -4.379 24 HB ILE 6 HB ILE 6 -3.709 -2.831 -6.547 25 1HG2 ILE 6 1HG2 ILE 6 -5.887 -2.929 -7.574 26 2HG2 ILE 6 2HG2 ILE 6 -6.013 -1.154 -7.577 27 3HG2 ILE 6 3HG2 ILE 6 -4.801 -1.963 -8.600 28 1HD1 ILE 6 1HD1 ILE 6 -2.682 -1.116 -8.670 29 2HD1 ILE 6 2HD1 ILE 6 -1.501 -0.266 -7.646 30 3HD1 ILE 6 3HD1 ILE 6 -1.788 -2.007 -7.415 31 H GLY 7 H GLY 7 -6.526 -1.305 -3.107 32 1HA GLY 7 1HA GLY 7 -6.178 1.418 -2.996 33 2HA GLY 7 2HA GLY 7 -7.568 1.186 -4.038 34 H ASN 8 H ASN 8 -6.456 -0.760 -1.183 35 HA ASN 8 HA ASN 8 -9.197 -0.616 -0.272 36 2HB ASN 8 2HB ASN 8 -6.916 -2.386 0.749 37 1HD2 ASN 8 1HD2 ASN 8 -10.043 -3.469 -0.229 38 H ILE 9 H ILE 9 -5.761 -0.370 0.923 39 HA ILE 9 HA ILE 9 -6.808 0.701 3.438 40 HB ILE 9 HB ILE 9 -5.529 -1.339 3.624 41 1HG2 ILE 9 1HG2 ILE 9 -4.152 -1.351 1.702 42 2HG2 ILE 9 2HG2 ILE 9 -3.388 0.195 2.143 43 3HG2 ILE 9 3HG2 ILE 9 -3.052 -1.268 3.098 44 1HD1 ILE 9 1HD1 ILE 9 -6.214 1.284 5.504 45 2HD1 ILE 9 2HD1 ILE 9 -6.449 -0.477 5.605 46 3HD1 ILE 9 3HD1 ILE 9 -5.389 0.349 6.773 47 H THR 10 H THR 10 -4.832 1.399 0.582 48 HA THR 10 HA THR 10 -3.316 3.482 1.745 49 HB THR 10 HB THR 10 -2.936 3.965 -0.782 50 HG1 THR 10 HG1 THR 10 -4.802 3.071 -1.705 51 1HG2 THR 10 1HG2 THR 10 -1.519 2.300 0.565 52 2HG2 THR 10 2HG2 THR 10 -2.638 1.027 0.022 53 3HG2 THR 10 3HG2 THR 10 -1.660 1.920 -1.167 54 H SER 11 H SER 11 -6.495 3.355 0.104 55 HA SER 11 HA SER 11 -6.668 5.962 -0.625 56 2HB SER 11 2HB SER 11 -8.857 4.090 0.376 57 HG SER 11 HG SER 11 -10.281 5.460 -0.865 58 H GLN 12 H GLN 12 -7.110 4.453 2.587 59 HA GLN 12 HA GLN 12 -8.510 6.642 3.666 60 2HB GLN 12 2HB GLN 12 -6.997 4.461 5.163 61 2HG GLN 12 2HG GLN 12 -9.326 6.305 5.844 62 1HE2 GLN 12 1HE2 GLN 12 -10.773 4.487 5.878 63 2HE2 GLN 12 2HE2 GLN 12 -10.805 3.410 7.234 64 H CYS 13 H CYS 13 -5.116 5.845 3.176 65 HA CYS 13 HA CYS 13 -4.276 7.709 5.226 66 2HB CYS 13 2HB CYS 13 -1.965 6.952 4.452 67 H GLN 14 H GLN 14 -4.730 7.389 1.715 68 HA GLN 14 HA GLN 14 -2.552 8.828 0.894 69 2HB GLN 14 2HB GLN 14 -4.024 9.201 -1.229 70 2HG GLN 14 2HG GLN 14 -4.233 6.433 -1.236 71 1HE2 GLN 14 1HE2 GLN 14 -3.144 5.772 -2.946 72 2HE2 GLN 14 2HE2 GLN 14 -1.856 6.621 -3.735 73 H MET 15 H MET 15 -5.963 9.942 1.447 74 HA MET 15 HA MET 15 -5.317 12.572 0.637 75 2HB MET 15 2HB MET 15 -7.691 13.008 1.539 76 2HG MET 15 2HG MET 15 -7.227 10.638 -0.332 77 1HE MET 15 1HE MET 15 -9.595 13.469 -1.085 78 2HE MET 15 2HE MET 15 -11.146 13.017 -0.336 79 3HE MET 15 3HE MET 15 -9.784 13.540 0.683 80 H GLN 16 H GLN 16 -5.141 10.785 3.671 81 HA GLN 16 HA GLN 16 -5.967 13.047 5.206 82 2HB GLN 16 2HB GLN 16 -5.187 11.153 7.047 83 2HG GLN 16 2HG GLN 16 -7.429 12.152 6.954 84 1HE2 GLN 16 1HE2 GLN 16 -7.932 9.244 5.033 85 2HE2 GLN 16 2HE2 GLN 16 -8.839 9.972 3.748 86 H HIS 17 H HIS 17 -2.968 11.170 4.562 87 HA HIS 17 HA HIS 17 -1.413 13.367 5.560 88 2HB HIS 17 2HB HIS 17 -1.609 12.407 7.662 89 HD1 HIS 17 HD1 HIS 17 -2.330 10.510 9.179 90 HD2 HIS 17 HD2 HIS 17 -1.337 9.213 5.315 91 HE1 HIS 17 HE1 HIS 17 -3.000 8.051 9.056 92 H LYS 18 H LYS 18 -1.535 12.792 2.983 93 HA LYS 18 HA LYS 18 1.109 11.761 2.502 94 2HB LYS 18 2HB LYS 18 -0.507 10.500 0.522 95 2HG LYS 18 2HG LYS 18 0.500 8.427 1.643 96 2HD LYS 18 2HD LYS 18 2.896 9.131 1.166 97 2HE LYS 18 2HE LYS 18 1.611 10.361 -1.148 98 1HZ LYS 18 1HZ LYS 18 2.528 7.563 -0.908 99 2HZ LYS 18 2HZ LYS 18 2.622 8.543 -2.205 100 H ASN 19 H ASN 19 1.829 13.706 1.717 101 HA ASN 19 HA ASN 19 0.298 15.486 0.319 102 2HB ASN 19 2HB ASN 19 2.440 16.174 1.239 103 1HD2 ASN 19 1HD2 ASN 19 4.246 15.587 -1.472 104 H CYS 20 H CYS 20 -0.257 15.663 -1.921 105 HA CYS 20 HA CYS 20 0.221 15.669 -4.097 106 2HB CYS 20 2HB CYS 20 2.661 14.870 -3.178 107 H GLU 21 H GLU 21 0.342 12.379 -2.455 108 HA GLU 21 HA GLU 21 -1.549 11.364 -1.976 109 2HB GLU 21 2HB GLU 21 -3.002 12.872 -4.184 110 2HG GLU 21 2HG GLU 21 -3.978 11.764 -1.512 111 HE2 GLU 21 HE2 GLU 21 -6.221 10.977 -2.747 112 H ASP 22 H ASP 22 0.251 9.974 -3.287 113 HA ASP 22 HA ASP 22 -1.282 8.510 -5.235 114 2HB ASP 22 2HB ASP 22 0.001 10.135 -6.593 115 HD2 ASP 22 HD2 ASP 22 2.296 9.463 -7.653 116 H ALA 23 H ALA 23 -0.170 6.332 -5.685 117 HA ALA 23 HA ALA 23 1.091 5.468 -3.209 118 1HB ALA 23 1HB ALA 23 -0.135 3.942 -5.543 119 2HB ALA 23 2HB ALA 23 0.489 3.207 -4.047 120 3HB ALA 23 3HB ALA 23 -0.920 4.293 -3.984 121 H ASN 24 H ASN 24 1.856 6.298 -6.503 122 HA ASN 24 HA ASN 24 3.866 4.291 -6.755 123 2HB ASN 24 2HB ASN 24 2.462 5.116 -8.697 124 1HD2 ASN 24 1HD2 ASN 24 5.171 7.130 -9.305 125 H GLY 25 H GLY 25 3.572 7.420 -5.360 126 1HA GLY 25 1HA GLY 25 6.460 7.841 -5.322 127 2HA GLY 25 2HA GLY 25 5.495 9.060 -6.131 128 H CYS 26 H CYS 26 6.786 10.128 -4.103 129 HA CYS 26 HA CYS 26 6.544 11.300 -2.266 130 2HB CYS 26 2HB CYS 26 4.320 12.050 -1.591 131 H ASP 27 H ASP 27 6.988 8.362 -2.093 132 HA ASP 27 HA ASP 27 4.878 7.360 -0.451 133 2HB ASP 27 2HB ASP 27 5.658 5.897 -2.195 134 HD2 ASP 27 HD2 ASP 27 9.358 4.977 -1.960 135 H THR 28 H THR 28 5.649 8.973 1.355 136 HA THR 28 HA THR 28 7.907 7.875 2.860 137 HB THR 28 HB THR 28 6.228 10.424 3.041 138 HG1 THR 28 HG1 THR 28 8.238 11.251 2.275 139 1HG2 THR 28 1HG2 THR 28 7.884 11.132 4.781 140 2HG2 THR 28 2HG2 THR 28 6.916 9.751 5.348 141 3HG2 THR 28 3HG2 THR 28 8.580 9.494 4.772 142 H ILE 29 H ILE 29 4.408 8.719 3.327 143 HA ILE 29 HA ILE 29 4.512 7.349 5.872 144 HB ILE 29 HB ILE 29 2.729 9.282 4.512 145 1HG2 ILE 29 1HG2 ILE 29 1.716 7.212 6.468 146 2HG2 ILE 29 2HG2 ILE 29 0.920 8.784 6.215 147 3HG2 ILE 29 3HG2 ILE 29 1.070 7.634 4.864 148 1HD1 ILE 29 1HD1 ILE 29 3.932 9.390 8.589 149 2HD1 ILE 29 2HD1 ILE 29 2.284 8.861 8.171 150 3HD1 ILE 29 3HD1 ILE 29 3.677 7.824 7.781 151 H ILE 30 H ILE 30 3.336 6.889 2.552 152 HA ILE 30 HA ILE 30 1.432 4.907 3.215 153 HB ILE 30 HB ILE 30 1.752 6.457 1.117 154 1HG2 ILE 30 1HG2 ILE 30 3.084 3.910 0.161 155 2HG2 ILE 30 2HG2 ILE 30 2.714 5.364 -0.797 156 3HG2 ILE 30 3HG2 ILE 30 3.935 5.437 0.497 157 1HD1 ILE 30 1HD1 ILE 30 -0.494 5.891 2.341 158 2HD1 ILE 30 2HD1 ILE 30 -0.625 6.505 0.676 159 3HD1 ILE 30 3HD1 ILE 30 -1.547 5.064 1.168 160 H GLU 31 H GLU 31 4.873 4.949 3.151 161 HA GLU 31 HA GLU 31 5.569 2.510 2.256 162 2HB GLU 31 2HB GLU 31 6.577 3.957 4.743 163 2HG GLU 31 2HG GLU 31 7.840 1.734 3.071 164 HE2 GLU 31 HE2 GLU 31 10.773 3.423 3.918 165 H GLU 32 H GLU 32 4.156 3.345 5.478 166 HA GLU 32 HA GLU 32 4.211 0.593 6.250 167 2HB GLU 32 2HB GLU 32 2.871 2.953 7.642 168 2HG GLU 32 2HG GLU 32 3.563 1.429 9.664 169 HE2 GLU 32 HE2 GLU 32 0.025 1.758 8.993 170 H CYS 33 H CYS 33 1.807 3.041 5.138 171 HA CYS 33 HA CYS 33 -0.398 1.621 6.114 172 2HB CYS 33 2HB CYS 33 -0.445 3.658 3.886 173 H LYS 34 H LYS 34 1.557 1.488 3.162 174 HA LYS 34 HA LYS 34 -0.492 0.377 1.529 175 2HB LYS 34 2HB LYS 34 2.503 0.664 1.165 176 2HG LYS 34 2HG LYS 34 0.388 0.006 -0.934 177 2HD LYS 34 2HD LYS 34 2.546 -0.640 -2.199 178 2HE LYS 34 2HE LYS 34 2.181 2.292 -1.413 179 1HZ LYS 34 1HZ LYS 34 3.296 1.110 -3.899 180 2HZ LYS 34 2HZ LYS 34 3.202 2.696 -3.545 181 H THR 35 H THR 35 2.680 -1.071 2.639 182 HA THR 35 HA THR 35 1.994 -3.451 1.336 183 HB THR 35 HB THR 35 4.120 -2.717 3.412 184 HG1 THR 35 HG1 THR 35 4.432 -1.639 1.428 185 1HG2 THR 35 1HG2 THR 35 3.917 -5.190 3.330 186 2HG2 THR 35 2HG2 THR 35 3.892 -5.141 1.550 187 3HG2 THR 35 3HG2 THR 35 5.367 -4.677 2.433 188 H SER 36 H SER 36 1.257 -2.264 4.560 189 HA SER 36 HA SER 36 0.849 -4.376 6.054 190 2HB SER 36 2HB SER 36 0.085 -2.081 6.609 191 HG SER 36 HG SER 36 -1.080 -1.351 4.859 192 H MET 37 H MET 37 -1.808 -3.281 3.803 193 HA MET 37 HA MET 37 -2.753 -6.034 3.922 194 2HB MET 37 2HB MET 37 -4.986 -4.912 3.273 195 2HG MET 37 2HG MET 37 -3.563 -4.026 5.827 196 1HE MET 37 1HE MET 37 -6.285 -2.343 7.766 197 2HE MET 37 2HE MET 37 -5.326 -3.829 7.968 198 3HE MET 37 3HE MET 37 -4.553 -2.349 7.353 199 H VAL 38 H VAL 38 -1.081 -3.935 1.913 200 HA VAL 38 HA VAL 38 -2.374 -4.771 -0.539 201 HB VAL 38 HB VAL 38 -0.018 -3.007 0.128 202 1HG1 VAL 38 1HG1 VAL 38 -0.128 -2.422 -2.367 203 2HG1 VAL 38 2HG1 VAL 38 0.636 -3.968 -1.925 204 3HG1 VAL 38 3HG1 VAL 38 -1.025 -3.947 -2.565 205 1HG2 VAL 38 1HG2 VAL 38 -2.752 -2.422 -1.058 206 2HG2 VAL 38 2HG2 VAL 38 -2.208 -2.034 0.592 207 3HG2 VAL 38 3HG2 VAL 38 -1.457 -1.228 -0.806 208 H GLU 39 H GLU 39 -0.232 -6.109 1.716 209 HA GLU 39 HA GLU 39 1.659 -7.389 0.332 210 2HB GLU 39 2HB GLU 39 0.623 -9.433 1.923 211 2HG GLU 39 2HG GLU 39 2.109 -8.274 3.737 212 HE2 GLU 39 HE2 GLU 39 3.760 -7.535 1.035 213 H ARG 40 H ARG 40 -1.864 -8.185 0.405 214 HA ARG 40 HA ARG 40 -1.468 -10.591 -0.997 215 2HB ARG 40 2HB ARG 40 -3.385 -10.343 0.509 216 2HG ARG 40 2HG ARG 40 -3.711 -7.813 -0.973 217 2HD ARG 40 2HD ARG 40 -5.614 -9.156 -1.964 218 HE ARG 40 HE ARG 40 -5.951 -10.087 0.694 219 1HH1 ARG 40 1HH1 ARG 40 -7.970 -8.776 -1.906 220 2HH1 ARG 40 2HH1 ARG 40 -9.395 -9.615 -1.391 221 2HH2 ARG 40 2HH2 ARG 40 -9.287 -11.040 0.532 222 H CYS 41 H CYS 41 -1.659 -7.253 -1.897 223 HA CYS 41 HA CYS 41 -2.409 -8.000 -4.630 224 2HB CYS 41 2HB CYS 41 -2.956 -5.563 -4.901 225 H GLN 42 H GLN 42 0.257 -8.113 -3.066 226 HA GLN 42 HA GLN 42 1.793 -5.917 -3.605 227 2HB GLN 42 2HB GLN 42 2.437 -7.729 -2.048 228 2HG GLN 42 2HG GLN 42 3.019 -9.323 -4.589 229 1HE2 GLN 42 1HE2 GLN 42 5.206 -9.367 -3.704 230 2HE2 GLN 42 2HE2 GLN 42 5.606 -10.426 -2.393 231 H ASN 43 H ASN 43 0.825 -8.623 -5.692 232 HA ASN 43 HA ASN 43 2.787 -8.347 -7.615 233 2HB ASN 43 2HB ASN 43 -0.138 -9.149 -8.046 234 1HD2 ASN 43 1HD2 ASN 43 -0.110 -8.536 -10.180 235 H GLN 44 H GLN 44 -0.386 -6.723 -7.051 236 HA GLN 44 HA GLN 44 -0.432 -5.649 -9.681 237 2HB GLN 44 2HB GLN 44 -2.225 -4.965 -7.312 238 2HG GLN 44 2HG GLN 44 -2.356 -3.484 -9.370 239 1HE2 GLN 44 1HE2 GLN 44 -1.304 -3.856 -11.229 240 2HE2 GLN 44 2HE2 GLN 44 -1.844 -4.919 -12.486 241 H GLU 45 H GLU 45 0.216 -4.459 -6.345 242 HA GLU 45 HA GLU 45 0.704 -1.824 -7.425 243 2HB GLU 45 2HB GLU 45 0.871 -2.719 -4.518 244 2HG GLU 45 2HG GLU 45 1.102 -0.156 -5.973 245 HE2 GLU 45 HE2 GLU 45 -1.706 0.165 -3.096 246 H PHE 46 H PHE 46 2.450 -4.305 -7.902 247 HA PHE 46 HA PHE 46 4.624 -4.829 -7.878 248 2HB PHE 46 2HB PHE 46 4.619 -3.152 -9.615 249 HD1 PHE 46 HD1 PHE 46 5.841 -0.681 -7.223 250 HD2 PHE 46 HD2 PHE 46 2.551 -1.857 -9.632 251 HE1 PHE 46 HE1 PHE 46 4.811 1.588 -6.924 252 HE2 PHE 46 HE2 PHE 46 1.522 0.413 -9.334 253 HZ PHE 46 HZ PHE 46 2.663 2.108 -7.983 254 H GLU 47 H GLU 47 3.834 -4.641 -5.200 255 HA GLU 47 HA GLU 47 5.629 -2.928 -3.828 256 2HB GLU 47 2HB GLU 47 3.873 -5.246 -2.916 257 2HG GLU 47 2HG GLU 47 5.744 -5.024 -1.334 258 HE2 GLU 47 HE2 GLU 47 7.311 -2.035 -0.647 259 H SER 48 H SER 48 5.464 -6.461 -4.609 260 HA SER 48 HA SER 48 7.030 -7.943 -4.853 261 2HB SER 48 2HB SER 48 8.837 -5.510 -5.194 262 HG SER 48 HG SER 48 10.104 -7.430 -4.877 263 H ALA 49 H ALA 49 6.359 -7.395 -2.172 264 HA ALA 49 HA ALA 49 8.894 -7.463 -0.747 265 1HB ALA 49 1HB ALA 49 5.980 -7.475 0.130 266 2HB ALA 49 2HB ALA 49 7.359 -7.570 1.251 267 3HB ALA 49 3HB ALA 49 7.135 -6.125 0.237 268 H ALA 50 H ALA 50 9.409 -9.299 0.695 269 HA ALA 50 HA ALA 50 8.934 -11.689 -0.871 270 1HB ALA 50 1HB ALA 50 10.847 -12.561 0.429 271 2HB ALA 50 2HB ALA 50 11.232 -10.988 -0.310 272 3HB ALA 50 3HB ALA 50 10.844 -11.084 1.424 273 H GLY 51 H GLY 51 6.548 -11.277 0.153 274 1HA GLY 51 1HA GLY 51 4.937 -12.214 1.409 275 2HA GLY 51 2HA GLY 51 6.015 -13.587 1.569 276 H SER 52 H SER 52 6.521 -10.205 2.758 277 HA SER 52 HA SER 52 7.312 -11.366 5.255 278 2HB SER 52 2HB SER 52 8.758 -9.659 4.321 279 HG SER 52 HG SER 52 8.061 -7.642 3.717 280 H THR 53 H THR 53 4.731 -11.970 5.291 281 HA THR 53 HA THR 53 2.942 -9.794 5.282 282 HB THR 53 HB THR 53 2.410 -12.610 6.331 283 HG1 THR 53 HG1 THR 53 2.835 -11.477 3.660 284 1HG2 THR 53 1HG2 THR 53 0.482 -10.990 6.263 285 2HG2 THR 53 2HG2 THR 53 0.820 -10.698 4.540 286 3HG2 THR 53 3HG2 THR 53 0.285 -12.307 5.081 287 H THR 54 H THR 54 3.219 -8.227 6.809 288 HA THR 54 HA THR 54 2.635 -9.128 9.542 289 HB THR 54 HB THR 54 4.618 -6.908 8.861 290 HG1 THR 54 HG1 THR 54 5.445 -8.916 8.042 291 1HG2 THR 54 1HG2 THR 54 4.117 -8.663 11.322 292 2HG2 THR 54 2HG2 THR 54 5.487 -7.541 11.150 293 3HG2 THR 54 3HG2 THR 54 3.822 -6.912 11.204 294 H LEU 55 H LEU 55 1.628 -7.465 10.903 295 HA LEU 55 HA LEU 55 0.298 -5.418 9.277 296 2HB LEU 55 2HB LEU 55 -1.209 -6.790 11.453 297 HG LEU 55 HG LEU 55 -3.140 -6.348 10.179 298 1HD1 LEU 55 1HD1 LEU 55 -1.400 -3.906 9.758 299 2HD1 LEU 55 2HD1 LEU 55 -3.168 -3.965 9.958 300 3HD1 LEU 55 3HD1 LEU 55 -2.103 -4.382 11.322 301 1HD2 LEU 55 1HD2 LEU 55 -1.362 -5.581 7.847 302 2HD2 LEU 55 2HD2 LEU 55 -2.300 -7.085 8.001 303 3HD2 LEU 55 3HD2 LEU 55 -3.142 -5.522 7.881 304 H GLY 56 H GLY 56 1.445 -3.651 10.009 305 1HA GLY 56 1HA GLY 56 0.653 -2.138 11.967 306 2HA GLY 56 2HA GLY 56 1.617 -3.255 12.913 307 HA PRO 57 HA PRO 57 5.128 -1.669 10.472 308 2HB PRO 57 2HB PRO 57 6.867 -2.320 11.834 309 2HG PRO 57 2HG PRO 57 6.262 -3.717 13.567 310 2HD PRO 57 2HD PRO 57 4.042 -3.161 13.782 311 H GLN 58 H GLN 58 6.057 -2.514 8.206 312 HA GLN 58 HA GLN 58 4.493 -1.666 6.812 313 2HB GLN 58 2HB GLN 58 5.289 -3.502 5.581 314 2HG GLN 58 2HG GLN 58 3.665 -5.304 7.440 315 1HE2 GLN 58 1HE2 GLN 58 6.621 -5.616 5.514 316 2HE2 GLN 58 2HE2 GLN 58 6.149 -7.032 4.636 Start of MODEL 12 1 1H ASP 1 1H ASP 1 -8.624 1.597 -9.986 2 HA ASP 1 HA ASP 1 -7.777 -0.153 -12.080 3 2HB ASP 1 2HB ASP 1 -6.024 0.228 -9.611 4 HD2 ASP 1 HD2 ASP 1 -3.912 -0.399 -10.204 5 H GLN 2 H GLN 2 -7.972 -2.448 -11.361 6 HA GLN 2 HA GLN 2 -8.738 -2.982 -8.694 7 2HB GLN 2 2HB GLN 2 -10.894 -3.207 -10.840 8 2HG GLN 2 2HG GLN 2 -10.858 -3.858 -7.857 9 1HE2 GLN 2 1HE2 GLN 2 -12.940 -4.690 -10.590 10 2HE2 GLN 2 2HE2 GLN 2 -14.428 -4.084 -9.940 11 H ASN 3 H ASN 3 -8.460 -5.185 -8.226 12 HA ASN 3 HA ASN 3 -8.504 -7.104 -10.292 13 2HB ASN 3 2HB ASN 3 -6.330 -6.599 -10.980 14 1HD2 ASN 3 1HD2 ASN 3 -4.984 -6.974 -7.844 15 H CYS 4 H CYS 4 -6.944 -6.256 -7.064 16 HA CYS 4 HA CYS 4 -8.830 -8.234 -6.002 17 2HB CYS 4 2HB CYS 4 -6.255 -8.427 -5.528 18 H ASP 5 H ASP 5 -7.250 -4.992 -5.589 19 HA ASP 5 HA ASP 5 -9.730 -3.770 -5.274 20 2HB ASP 5 2HB ASP 5 -8.089 -3.503 -2.752 21 HD2 ASP 5 HD2 ASP 5 -9.624 -1.580 -3.709 22 H ILE 6 H ILE 6 -6.238 -3.680 -4.254 23 HA ILE 6 HA ILE 6 -4.787 -1.965 -4.208 24 HB ILE 6 HB ILE 6 -4.469 -2.977 -6.362 25 1HG2 ILE 6 1HG2 ILE 6 -5.540 -1.988 -8.399 26 2HG2 ILE 6 2HG2 ILE 6 -6.651 -2.870 -7.325 27 3HG2 ILE 6 3HG2 ILE 6 -6.634 -1.090 -7.318 28 1HD1 ILE 6 1HD1 ILE 6 -2.007 -0.741 -7.641 29 2HD1 ILE 6 2HD1 ILE 6 -2.211 -2.307 -6.819 30 3HD1 ILE 6 3HD1 ILE 6 -3.111 -1.964 -8.317 31 H GLY 7 H GLY 7 -7.178 -1.099 -3.026 32 1HA GLY 7 1HA GLY 7 -6.523 1.629 -2.997 33 2HA GLY 7 2HA GLY 7 -8.000 1.432 -3.919 34 H ASN 8 H ASN 8 -6.850 -0.550 -1.114 35 HA ASN 8 HA ASN 8 -9.501 -0.120 -0.027 36 2HB ASN 8 2HB ASN 8 -7.403 -2.223 0.721 37 1HD2 ASN 8 1HD2 ASN 8 -10.738 -2.823 0.078 38 H ILE 9 H ILE 9 -6.014 -0.477 0.989 39 HA ILE 9 HA ILE 9 -6.704 0.725 3.555 40 HB ILE 9 HB ILE 9 -5.554 -1.452 3.488 41 1HG2 ILE 9 1HG2 ILE 9 -3.337 0.131 2.166 42 2HG2 ILE 9 2HG2 ILE 9 -3.124 -1.479 2.896 43 3HG2 ILE 9 3HG2 ILE 9 -4.221 -1.268 1.511 44 1HD1 ILE 9 1HD1 ILE 9 -6.151 0.925 5.673 45 2HD1 ILE 9 2HD1 ILE 9 -6.382 -0.835 5.543 46 3HD1 ILE 9 3HD1 ILE 9 -5.284 -0.170 6.777 47 H THR 10 H THR 10 -4.985 1.305 0.517 48 HA THR 10 HA THR 10 -3.283 3.339 1.577 49 HB THR 10 HB THR 10 -2.903 3.674 -0.960 50 HG1 THR 10 HG1 THR 10 -4.878 2.890 -1.789 51 1HG2 THR 10 1HG2 THR 10 -1.591 1.958 0.431 52 2HG2 THR 10 2HG2 THR 10 -2.800 0.749 -0.067 53 3HG2 THR 10 3HG2 THR 10 -1.774 1.539 -1.290 54 H SER 11 H SER 11 -6.560 3.226 0.218 55 HA SER 11 HA SER 11 -6.658 5.719 -0.858 56 2HB SER 11 2HB SER 11 -8.834 4.092 0.522 57 HG SER 11 HG SER 11 -10.305 5.402 -0.747 58 H GLN 12 H GLN 12 -7.105 4.662 2.552 59 HA GLN 12 HA GLN 12 -8.178 7.094 3.415 60 2HB GLN 12 2HB GLN 12 -6.721 4.970 5.049 61 2HG GLN 12 2HG GLN 12 -8.738 7.149 5.744 62 1HE2 GLN 12 1HE2 GLN 12 -10.318 5.522 6.237 63 2HE2 GLN 12 2HE2 GLN 12 -10.244 4.641 7.727 64 H CYS 13 H CYS 13 -4.836 5.691 3.490 65 HA CYS 13 HA CYS 13 -3.853 7.755 5.134 66 2HB CYS 13 2HB CYS 13 -1.610 6.795 4.477 67 H GLN 14 H GLN 14 -4.090 7.139 1.613 68 HA GLN 14 HA GLN 14 -2.180 8.941 0.786 69 2HB GLN 14 2HB GLN 14 -3.700 8.967 -1.363 70 2HG GLN 14 2HG GLN 14 -2.409 6.514 -0.110 71 1HE2 GLN 14 1HE2 GLN 14 -1.575 6.475 -3.155 72 2HE2 GLN 14 2HE2 GLN 14 -2.702 5.333 -3.808 73 H MET 15 H MET 15 -5.667 9.363 1.571 74 HA MET 15 HA MET 15 -5.603 12.102 0.782 75 2HB MET 15 2HB MET 15 -7.944 12.058 1.815 76 2HG MET 15 2HG MET 15 -7.224 9.773 -0.085 77 1HE MET 15 1HE MET 15 -9.041 8.548 -1.424 78 2HE MET 15 2HE MET 15 -10.743 9.064 -1.497 79 3HE MET 15 3HE MET 15 -9.463 10.127 -2.127 80 H GLN 16 H GLN 16 -5.366 10.203 3.826 81 HA GLN 16 HA GLN 16 -6.172 12.324 5.449 82 2HB GLN 16 2HB GLN 16 -4.598 9.810 6.165 83 2HG GLN 16 2HG GLN 16 -4.615 11.607 7.943 84 1HE2 GLN 16 1HE2 GLN 16 -7.784 10.038 8.100 85 2HE2 GLN 16 2HE2 GLN 16 -8.735 11.466 8.339 86 H HIS 17 H HIS 17 -2.922 10.961 4.602 87 HA HIS 17 HA HIS 17 -1.693 13.407 5.505 88 2HB HIS 17 2HB HIS 17 -1.564 12.515 7.605 89 HD1 HIS 17 HD1 HIS 17 -2.228 10.676 9.191 90 HD2 HIS 17 HD2 HIS 17 -1.225 9.226 5.384 91 HE1 HIS 17 HE1 HIS 17 -2.780 8.185 9.206 92 H LYS 18 H LYS 18 -1.381 13.390 3.117 93 HA LYS 18 HA LYS 18 1.135 12.232 2.464 94 2HB LYS 18 2HB LYS 18 -0.540 11.224 0.386 95 2HG LYS 18 2HG LYS 18 0.410 9.012 1.357 96 2HD LYS 18 2HD LYS 18 2.318 11.304 0.690 97 2HE LYS 18 2HE LYS 18 3.623 9.217 -0.270 98 1HZ LYS 18 1HZ LYS 18 4.836 10.111 1.409 99 2HZ LYS 18 2HZ LYS 18 3.560 10.344 2.394 100 H ASN 19 H ASN 19 -1.955 13.459 0.989 101 HA ASN 19 HA ASN 19 -2.369 15.206 -0.223 102 2HB ASN 19 2HB ASN 19 -1.015 17.247 0.018 103 1HD2 ASN 19 1HD2 ASN 19 -2.931 17.251 1.342 104 H CYS 20 H CYS 20 -0.467 12.864 -1.124 105 HA CYS 20 HA CYS 20 -0.578 13.877 -3.780 106 2HB CYS 20 2HB CYS 20 1.543 14.595 -3.850 107 H GLU 21 H GLU 21 -1.824 12.170 -4.587 108 HA GLU 21 HA GLU 21 -2.097 9.983 -2.874 109 2HB GLU 21 2HB GLU 21 -3.247 10.470 -5.656 110 2HG GLU 21 2HG GLU 21 -5.115 8.971 -4.459 111 HE2 GLU 21 HE2 GLU 21 -4.565 6.590 -4.690 112 H ASP 22 H ASP 22 -0.209 10.568 -5.803 113 HA ASP 22 HA ASP 22 -0.285 8.102 -6.939 114 2HB ASP 22 2HB ASP 22 1.924 8.728 -7.963 115 HD2 ASP 22 HD2 ASP 22 0.145 8.839 -9.259 116 H ALA 23 H ALA 23 0.346 6.116 -6.081 117 HA ALA 23 HA ALA 23 1.929 6.056 -3.702 118 1HB ALA 23 1HB ALA 23 0.803 3.851 -5.476 119 2HB ALA 23 2HB ALA 23 1.512 3.616 -3.860 120 3HB ALA 23 3HB ALA 23 0.011 4.556 -4.047 121 H ASN 24 H ASN 24 3.838 7.185 -4.741 122 HA ASN 24 HA ASN 24 5.778 5.226 -5.049 123 2HB ASN 24 2HB ASN 24 5.482 4.894 -7.333 124 1HD2 ASN 24 1HD2 ASN 24 3.442 4.942 -8.041 125 H GLY 25 H GLY 25 4.889 8.617 -6.101 126 1HA GLY 25 1HA GLY 25 7.567 9.488 -6.193 127 2HA GLY 25 2HA GLY 25 6.129 10.486 -6.256 128 H CYS 26 H CYS 26 5.013 9.603 -3.655 129 HA CYS 26 HA CYS 26 6.725 11.396 -2.119 130 2HB CYS 26 2HB CYS 26 4.604 11.639 -0.713 131 H ASP 27 H ASP 27 6.686 8.207 -2.566 132 HA ASP 27 HA ASP 27 5.149 7.101 -0.628 133 2HB ASP 27 2HB ASP 27 7.713 6.077 -1.927 134 HD2 ASP 27 HD2 ASP 27 7.266 2.838 -0.710 135 H THR 28 H THR 28 5.370 7.627 1.576 136 HA THR 28 HA THR 28 7.780 6.633 2.827 137 HB THR 28 HB THR 28 6.968 9.555 2.768 138 HG1 THR 28 HG1 THR 28 8.794 8.659 1.543 139 1HG2 THR 28 1HG2 THR 28 8.471 8.108 5.013 140 2HG2 THR 28 2HG2 THR 28 8.499 9.870 4.763 141 3HG2 THR 28 3HG2 THR 28 6.975 9.056 5.188 142 H ILE 29 H ILE 29 4.734 8.500 3.476 143 HA ILE 29 HA ILE 29 4.343 7.057 5.912 144 HB ILE 29 HB ILE 29 2.911 9.185 4.385 145 1HG2 ILE 29 1HG2 ILE 29 1.110 9.087 6.173 146 2HG2 ILE 29 2HG2 ILE 29 1.045 7.840 4.905 147 3HG2 ILE 29 3HG2 ILE 29 1.680 7.436 6.518 148 1HD1 ILE 29 1HD1 ILE 29 2.504 9.150 8.063 149 2HD1 ILE 29 2HD1 ILE 29 3.729 7.894 7.762 150 3HD1 ILE 29 3HD1 ILE 29 4.218 9.474 8.420 151 H ILE 30 H ILE 30 3.354 6.774 2.511 152 HA ILE 30 HA ILE 30 1.212 4.971 3.109 153 HB ILE 30 HB ILE 30 1.334 6.610 1.192 154 1HG2 ILE 30 1HG2 ILE 30 3.715 5.863 0.589 155 2HG2 ILE 30 2HG2 ILE 30 2.936 4.488 -0.229 156 3HG2 ILE 30 3HG2 ILE 30 2.567 6.152 -0.741 157 1HD1 ILE 30 1HD1 ILE 30 0.848 4.605 -1.463 158 2HD1 ILE 30 2HD1 ILE 30 -0.883 4.685 -1.057 159 3HD1 ILE 30 3HD1 ILE 30 0.119 6.153 -0.970 160 H GLU 31 H GLU 31 4.568 4.720 3.220 161 HA GLU 31 HA GLU 31 5.110 2.454 1.795 162 2HB GLU 31 2HB GLU 31 6.331 3.392 4.428 163 2HG GLU 31 2HG GLU 31 7.402 1.525 2.259 164 HE2 GLU 31 HE2 GLU 31 8.931 3.101 2.103 165 H GLU 32 H GLU 32 4.178 2.750 5.297 166 HA GLU 32 HA GLU 32 4.093 -0.095 5.507 167 2HB GLU 32 2HB GLU 32 3.399 2.125 7.481 168 2HG GLU 32 2HG GLU 32 2.194 0.075 8.107 169 HE2 GLU 32 HE2 GLU 32 3.405 -2.978 7.064 170 H CYS 33 H CYS 33 1.803 2.653 5.252 171 HA CYS 33 HA CYS 33 -0.498 1.303 5.977 172 2HB CYS 33 2HB CYS 33 -0.372 3.480 3.891 173 H LYS 34 H LYS 34 1.367 1.489 2.916 174 HA LYS 34 HA LYS 34 -0.516 0.017 1.390 175 2HB LYS 34 2HB LYS 34 2.436 0.584 1.005 176 2HG LYS 34 2HG LYS 34 0.424 -0.394 -1.064 177 2HD LYS 34 2HD LYS 34 2.550 -0.909 -2.321 178 2HE LYS 34 2HE LYS 34 1.278 1.556 -2.031 179 1HZ LYS 34 1HZ LYS 34 3.163 2.253 -0.578 180 2HZ LYS 34 2HZ LYS 34 4.206 2.006 -1.804 181 H THR 35 H THR 35 2.738 -0.949 2.743 182 HA THR 35 HA THR 35 2.589 -3.477 1.667 183 HB THR 35 HB THR 35 4.056 -2.545 4.192 184 HG1 THR 35 HG1 THR 35 4.811 -1.195 2.583 185 1HG2 THR 35 1HG2 THR 35 4.698 -4.667 2.073 186 2HG2 THR 35 2HG2 THR 35 5.811 -4.140 3.359 187 3HG2 THR 35 3HG2 THR 35 4.304 -4.989 3.779 188 H SER 36 H SER 36 1.251 -2.254 4.741 189 HA SER 36 HA SER 36 1.111 -4.476 6.193 190 2HB SER 36 2HB SER 36 -1.195 -3.520 6.988 191 HG SER 36 HG SER 36 1.214 -1.913 6.939 192 H MET 37 H MET 37 -1.513 -3.422 3.883 193 HA MET 37 HA MET 37 -2.602 -6.099 4.165 194 2HB MET 37 2HB MET 37 -4.289 -4.256 2.658 195 2HG MET 37 2HG MET 37 -4.400 -5.646 5.353 196 1HE MET 37 1HE MET 37 -5.172 -4.341 7.279 197 2HE MET 37 2HE MET 37 -4.397 -3.008 6.390 198 3HE MET 37 3HE MET 37 -5.992 -2.768 7.142 199 H VAL 38 H VAL 38 -0.911 -4.016 1.951 200 HA VAL 38 HA VAL 38 -2.119 -5.167 -0.406 201 HB VAL 38 HB VAL 38 0.054 -3.114 0.041 202 1HG1 VAL 38 1HG1 VAL 38 -1.048 -4.326 -2.484 203 2HG1 VAL 38 2HG1 VAL 38 -0.495 -2.634 -2.470 204 3HG1 VAL 38 3HG1 VAL 38 0.635 -3.944 -2.049 205 1HG2 VAL 38 1HG2 VAL 38 -1.644 -1.514 -0.747 206 2HG2 VAL 38 2HG2 VAL 38 -2.828 -2.835 -0.877 207 3HG2 VAL 38 3HG2 VAL 38 -2.182 -2.375 0.716 208 H GLU 39 H GLU 39 0.276 -6.093 1.827 209 HA GLU 39 HA GLU 39 2.100 -7.446 0.428 210 2HB GLU 39 2HB GLU 39 1.187 -9.395 2.197 211 2HG GLU 39 2HG GLU 39 2.812 -8.354 3.801 212 HE2 GLU 39 HE2 GLU 39 4.190 -6.928 1.237 213 H ARG 40 H ARG 40 -1.419 -8.122 0.600 214 HA ARG 40 HA ARG 40 -1.206 -10.556 -0.789 215 2HB ARG 40 2HB ARG 40 -3.559 -8.670 -0.284 216 2HG ARG 40 2HG ARG 40 -4.566 -11.247 -0.696 217 2HD ARG 40 2HD ARG 40 -5.374 -10.262 -2.919 218 HE ARG 40 HE ARG 40 -5.879 -8.186 -0.898 219 1HH1 ARG 40 1HH1 ARG 40 -6.573 -11.543 -1.781 220 2HH1 ARG 40 2HH1 ARG 40 -8.157 -11.533 -1.080 221 2HH2 ARG 40 2HH2 ARG 40 -8.930 -9.560 0.040 222 H CYS 41 H CYS 41 -1.854 -7.115 -1.681 223 HA CYS 41 HA CYS 41 -2.684 -8.000 -4.320 224 2HB CYS 41 2HB CYS 41 -2.813 -5.130 -3.630 225 H GLN 42 H GLN 42 0.189 -7.534 -2.898 226 HA GLN 42 HA GLN 42 1.547 -5.705 -4.395 227 2HB GLN 42 2HB GLN 42 2.527 -6.981 -2.518 228 2HG GLN 42 2HG GLN 42 1.456 -9.217 -3.506 229 1HE2 GLN 42 1HE2 GLN 42 2.175 -11.225 -4.395 230 2HE2 GLN 42 2HE2 GLN 42 3.319 -11.275 -5.695 231 H ASN 43 H ASN 43 0.001 -8.689 -5.386 232 HA ASN 43 HA ASN 43 1.274 -9.489 -7.562 233 2HB ASN 43 2HB ASN 43 -1.716 -8.820 -7.461 234 1HD2 ASN 43 1HD2 ASN 43 0.276 -11.643 -8.245 235 H GLN 44 H GLN 44 -0.689 -6.482 -7.159 236 HA GLN 44 HA GLN 44 0.002 -5.758 -9.894 237 2HB GLN 44 2HB GLN 44 -1.987 -4.078 -8.479 238 2HG GLN 44 2HG GLN 44 -3.253 -4.491 -10.582 239 1HE2 GLN 44 1HE2 GLN 44 -2.790 -2.326 -10.668 240 2HE2 GLN 44 2HE2 GLN 44 -1.344 -1.644 -11.333 241 H GLU 45 H GLU 45 -0.306 -4.413 -6.534 242 HA GLU 45 HA GLU 45 0.744 -1.942 -7.163 243 2HB GLU 45 2HB GLU 45 1.069 -3.281 -4.455 244 2HG GLU 45 2HG GLU 45 1.933 -0.933 -4.809 245 HE2 GLU 45 HE2 GLU 45 -1.581 0.832 -5.493 246 H PHE 46 H PHE 46 2.868 -1.005 -6.805 247 HA PHE 46 HA PHE 46 4.914 -2.828 -7.601 248 2HB PHE 46 2HB PHE 46 4.350 -0.224 -8.101 249 HD1 PHE 46 HD1 PHE 46 3.520 0.874 -5.969 250 HD2 PHE 46 HD2 PHE 46 7.624 0.056 -6.673 251 HE1 PHE 46 HE1 PHE 46 4.155 2.544 -4.206 252 HE2 PHE 46 HE2 PHE 46 8.259 1.726 -4.910 253 HZ PHE 46 HZ PHE 46 6.516 2.950 -3.698 254 H GLU 47 H GLU 47 3.577 -2.298 -4.594 255 HA GLU 47 HA GLU 47 5.324 -2.275 -2.708 256 2HB GLU 47 2HB GLU 47 3.523 -4.635 -3.385 257 2HG GLU 47 2HG GLU 47 5.187 -5.442 -1.782 258 HE2 GLU 47 HE2 GLU 47 4.981 -2.149 0.535 259 H SER 48 H SER 48 7.476 -2.720 -2.546 260 HA SER 48 HA SER 48 8.330 -5.365 -3.141 261 2HB SER 48 2HB SER 48 8.523 -4.200 -5.372 262 HG SER 48 HG SER 48 10.672 -2.729 -4.115 263 H ALA 49 H ALA 49 8.108 -4.094 -0.693 264 HA ALA 49 HA ALA 49 10.409 -2.541 -0.066 265 1HB ALA 49 1HB ALA 49 9.486 -2.643 2.222 266 2HB ALA 49 2HB ALA 49 8.220 -2.242 1.037 267 3HB ALA 49 3HB ALA 49 8.327 -3.890 1.701 268 H ALA 50 H ALA 50 9.350 -5.956 0.456 269 HA ALA 50 HA ALA 50 11.875 -6.475 1.818 270 1HB ALA 50 1HB ALA 50 9.359 -8.154 1.453 271 2HB ALA 50 2HB ALA 50 10.774 -8.609 2.433 272 3HB ALA 50 3HB ALA 50 9.786 -7.202 2.896 273 H GLY 51 H GLY 51 10.726 -6.343 -1.316 274 1HA GLY 51 1HA GLY 51 11.575 -7.092 -3.260 275 2HA GLY 51 2HA GLY 51 12.954 -7.711 -2.372 276 H SER 52 H SER 52 9.791 -8.801 -1.291 277 HA SER 52 HA SER 52 10.212 -11.313 -2.670 278 2HB SER 52 2HB SER 52 10.178 -12.604 -0.596 279 HG SER 52 HG SER 52 12.015 -10.406 -0.183 280 H THR 53 H THR 53 8.257 -9.536 -0.161 281 HA THR 53 HA THR 53 6.036 -9.384 0.109 282 HB THR 53 HB THR 53 4.970 -8.438 -1.870 283 HG1 THR 53 HG1 THR 53 7.178 -9.453 -3.447 284 1HG2 THR 53 1HG2 THR 53 6.726 -6.993 -2.851 285 2HG2 THR 53 2HG2 THR 53 6.975 -7.111 -1.094 286 3HG2 THR 53 3HG2 THR 53 7.993 -8.060 -2.203 287 H THR 54 H THR 54 6.734 -12.000 0.467 288 HA THR 54 HA THR 54 5.837 -14.032 0.561 289 HB THR 54 HB THR 54 3.368 -12.609 -0.570 290 HG1 THR 54 HG1 THR 54 4.030 -11.673 1.419 291 1HG2 THR 54 1HG2 THR 54 2.120 -14.376 0.661 292 2HG2 THR 54 2HG2 THR 54 3.155 -15.114 -0.584 293 3HG2 THR 54 3HG2 THR 54 3.656 -15.148 1.123 294 H LEU 55 H LEU 55 4.175 -12.872 -2.438 295 HA LEU 55 HA LEU 55 5.699 -14.931 -3.866 296 2HB LEU 55 2HB LEU 55 2.754 -14.388 -4.241 297 HG LEU 55 HG LEU 55 4.141 -15.501 -6.127 298 1HD1 LEU 55 1HD1 LEU 55 4.447 -17.941 -5.842 299 2HD1 LEU 55 2HD1 LEU 55 5.497 -16.976 -4.778 300 3HD1 LEU 55 3HD1 LEU 55 4.045 -17.767 -4.117 301 1HD2 LEU 55 1HD2 LEU 55 1.678 -16.837 -4.972 302 2HD2 LEU 55 2HD2 LEU 55 1.718 -15.461 -6.100 303 3HD2 LEU 55 3HD2 LEU 55 2.295 -17.060 -6.626 304 H GLY 56 H GLY 56 6.767 -12.493 -3.893 305 1HA GLY 56 1HA GLY 56 6.439 -11.802 -6.679 306 2HA GLY 56 2HA GLY 56 5.975 -10.528 -5.569 307 HA PRO 57 HA PRO 57 10.619 -11.406 -5.009 308 2HB PRO 57 2HB PRO 57 11.333 -13.560 -5.403 309 2HG PRO 57 2HG PRO 57 9.899 -14.829 -6.689 310 2HD PRO 57 2HD PRO 57 7.916 -13.734 -6.291 311 H GLN 58 H GLN 58 11.741 -9.583 -5.267 312 HA GLN 58 HA GLN 58 11.830 -8.649 -8.023 313 2HB GLN 58 2HB GLN 58 11.516 -6.286 -7.057 314 2HG GLN 58 2HG GLN 58 8.982 -6.649 -6.734 315 1HE2 GLN 58 1HE2 GLN 58 9.602 -9.200 -8.915 316 2HE2 GLN 58 2HE2 GLN 58 9.509 -8.308 -10.397 Start of MODEL 13 1 1H ASP 1 1H ASP 1 -7.551 -5.482 -8.656 2 HA ASP 1 HA ASP 1 -9.312 -4.971 -9.969 3 2HB ASP 1 2HB ASP 1 -9.095 -3.981 -12.210 4 HD2 ASP 1 HD2 ASP 1 -8.843 -1.181 -10.042 5 H GLN 2 H GLN 2 -6.299 -6.255 -11.568 6 HA GLN 2 HA GLN 2 -7.723 -8.448 -12.688 7 2HB GLN 2 2HB GLN 2 -5.361 -9.311 -13.134 8 2HG GLN 2 2HG GLN 2 -5.973 -6.437 -13.978 9 1HE2 GLN 2 1HE2 GLN 2 -5.081 -9.376 -15.708 10 2HE2 GLN 2 2HE2 GLN 2 -3.573 -8.821 -16.352 11 H ASN 3 H ASN 3 -6.073 -7.672 -9.646 12 HA ASN 3 HA ASN 3 -7.436 -9.912 -8.547 13 2HB ASN 3 2HB ASN 3 -5.206 -10.906 -9.187 14 1HD2 ASN 3 1HD2 ASN 3 -4.064 -8.965 -10.049 15 H CYS 4 H CYS 4 -7.943 -9.457 -6.317 16 HA CYS 4 HA CYS 4 -8.351 -8.153 -4.601 17 2HB CYS 4 2HB CYS 4 -5.624 -8.161 -4.723 18 H ASP 5 H ASP 5 -8.706 -5.682 -4.005 19 HA ASP 5 HA ASP 5 -9.065 -4.206 -6.492 20 2HB ASP 5 2HB ASP 5 -10.675 -2.801 -5.118 21 HD2 ASP 5 HD2 ASP 5 -12.546 -6.314 -5.049 22 H ILE 6 H ILE 6 -7.017 -3.136 -6.625 23 HA ILE 6 HA ILE 6 -5.697 -1.937 -4.492 24 HB ILE 6 HB ILE 6 -4.551 -0.636 -6.213 25 1HG2 ILE 6 1HG2 ILE 6 -3.981 -3.024 -5.709 26 2HG2 ILE 6 2HG2 ILE 6 -4.949 -3.494 -7.126 27 3HG2 ILE 6 3HG2 ILE 6 -3.509 -2.468 -7.333 28 1HD1 ILE 6 1HD1 ILE 6 -6.080 1.039 -7.251 29 2HD1 ILE 6 2HD1 ILE 6 -4.624 0.661 -8.201 30 3HD1 ILE 6 3HD1 ILE 6 -6.213 0.734 -8.999 31 H GLY 7 H GLY 7 -5.675 0.214 -3.677 32 1HA GLY 7 1HA GLY 7 -6.435 2.426 -3.637 33 2HA GLY 7 2HA GLY 7 -7.840 1.976 -4.582 34 H ASN 8 H ASN 8 -7.481 -0.521 -2.386 35 HA ASN 8 HA ASN 8 -9.770 0.349 -1.005 36 2HB ASN 8 2HB ASN 8 -7.904 -2.044 -0.590 37 1HD2 ASN 8 1HD2 ASN 8 -11.391 -1.473 -0.359 38 H ILE 9 H ILE 9 -6.250 -0.018 -0.302 39 HA ILE 9 HA ILE 9 -6.732 0.810 2.462 40 HB ILE 9 HB ILE 9 -5.582 -1.208 2.432 41 1HG2 ILE 9 1HG2 ILE 9 -4.992 -1.557 0.198 42 2HG2 ILE 9 2HG2 ILE 9 -4.019 -0.067 0.121 43 3HG2 ILE 9 3HG2 ILE 9 -3.433 -1.466 1.053 44 1HD1 ILE 9 1HD1 ILE 9 -2.119 -0.134 2.124 45 2HD1 ILE 9 2HD1 ILE 9 -3.052 1.259 1.527 46 3HD1 ILE 9 3HD1 ILE 9 -2.266 1.332 3.123 47 H THR 10 H THR 10 -5.083 1.675 -0.595 48 HA THR 10 HA THR 10 -3.278 3.480 0.650 49 HB THR 10 HB THR 10 -3.104 4.117 -1.946 50 HG1 THR 10 HG1 THR 10 -4.092 2.351 -3.165 51 1HG2 THR 10 1HG2 THR 10 -1.517 2.560 -0.624 52 2HG2 THR 10 2HG2 THR 10 -2.561 1.218 -1.148 53 3HG2 THR 10 3HG2 THR 10 -1.690 2.192 -2.356 54 H SER 11 H SER 11 -6.473 3.818 -0.949 55 HA SER 11 HA SER 11 -6.425 6.480 -1.408 56 2HB SER 11 2HB SER 11 -8.734 4.707 -0.506 57 HG SER 11 HG SER 11 -10.089 6.337 -1.487 58 H GLN 12 H GLN 12 -7.281 4.735 1.644 59 HA GLN 12 HA GLN 12 -8.175 7.013 2.968 60 2HB GLN 12 2HB GLN 12 -7.034 4.461 4.187 61 2HG GLN 12 2HG GLN 12 -8.956 6.608 5.188 62 1HE2 GLN 12 1HE2 GLN 12 -9.685 6.224 7.392 63 2HE2 GLN 12 2HE2 GLN 12 -10.158 4.629 7.874 64 H CYS 13 H CYS 13 -4.972 5.340 2.852 65 HA CYS 13 HA CYS 13 -3.910 6.886 4.961 66 2HB CYS 13 2HB CYS 13 -1.833 5.798 4.496 67 H GLN 14 H GLN 14 -4.255 7.219 1.453 68 HA GLN 14 HA GLN 14 -2.168 9.128 1.217 69 2HB GLN 14 2HB GLN 14 -3.649 9.429 -1.073 70 2HG GLN 14 2HG GLN 14 -1.540 7.440 -0.216 71 1HE2 GLN 14 1HE2 GLN 14 -3.546 8.423 -2.984 72 2HE2 GLN 14 2HE2 GLN 14 -3.489 6.915 -3.834 73 H MET 15 H MET 15 -5.730 9.152 1.626 74 HA MET 15 HA MET 15 -5.999 11.916 1.248 75 2HB MET 15 2HB MET 15 -8.186 11.433 2.618 76 2HG MET 15 2HG MET 15 -8.970 9.728 0.741 77 1HE MET 15 1HE MET 15 -10.381 10.736 -1.192 78 2HE MET 15 2HE MET 15 -9.937 12.236 -2.039 79 3HE MET 15 3HE MET 15 -8.832 10.841 -2.063 80 H GLN 16 H GLN 16 -5.290 9.830 4.091 81 HA GLN 16 HA GLN 16 -6.184 11.652 5.973 82 2HB GLN 16 2HB GLN 16 -4.527 10.201 7.477 83 2HG GLN 16 2HG GLN 16 -6.215 8.256 7.265 84 1HE2 GLN 16 1HE2 GLN 16 -8.865 9.279 7.282 85 2HE2 GLN 16 2HE2 GLN 16 -9.032 10.397 8.595 86 H HIS 17 H HIS 17 -2.847 10.955 4.718 87 HA HIS 17 HA HIS 17 -1.926 13.501 5.624 88 2HB HIS 17 2HB HIS 17 -1.621 12.755 7.747 89 HD1 HIS 17 HD1 HIS 17 -1.925 10.942 9.502 90 HD2 HIS 17 HD2 HIS 17 -1.292 9.402 5.652 91 HE1 HIS 17 HE1 HIS 17 -2.350 8.430 9.657 92 H LYS 18 H LYS 18 -1.447 13.634 3.332 93 HA LYS 18 HA LYS 18 0.979 12.567 2.464 94 2HB LYS 18 2HB LYS 18 -0.620 11.100 0.690 95 2HG LYS 18 2HG LYS 18 0.436 9.267 2.526 96 2HD LYS 18 2HD LYS 18 0.801 9.391 0.022 97 2HE LYS 18 2HE LYS 18 1.529 11.880 0.147 98 1HZ LYS 18 1HZ LYS 18 3.251 11.573 1.846 99 2HZ LYS 18 2HZ LYS 18 4.097 10.573 0.877 100 H ASN 19 H ASN 19 1.416 14.551 1.544 101 HA ASN 19 HA ASN 19 -0.684 16.150 0.680 102 2HB ASN 19 2HB ASN 19 2.265 16.504 -0.050 103 1HD2 ASN 19 1HD2 ASN 19 1.639 17.749 -1.806 104 H CYS 20 H CYS 20 1.703 14.014 -0.946 105 HA CYS 20 HA CYS 20 1.201 15.048 -3.540 106 2HB CYS 20 2HB CYS 20 2.641 13.296 -4.329 107 H GLU 21 H GLU 21 0.063 12.296 -1.510 108 HA GLU 21 HA GLU 21 -1.852 11.271 -1.520 109 2HB GLU 21 2HB GLU 21 -2.892 12.956 -3.816 110 2HG GLU 21 2HG GLU 21 -4.157 11.976 -1.213 111 HE2 GLU 21 HE2 GLU 21 -6.439 11.677 -2.016 112 H ASP 22 H ASP 22 0.318 10.215 -3.037 113 HA ASP 22 HA ASP 22 -1.212 8.760 -5.029 114 2HB ASP 22 2HB ASP 22 0.398 9.028 -6.713 115 HD2 ASP 22 HD2 ASP 22 -0.734 12.462 -6.144 116 H ALA 23 H ALA 23 -0.324 6.498 -5.343 117 HA ALA 23 HA ALA 23 1.711 5.682 -3.454 118 1HB ALA 23 1HB ALA 23 -0.246 4.241 -4.132 119 2HB ALA 23 2HB ALA 23 0.454 4.156 -5.767 120 3HB ALA 23 3HB ALA 23 1.343 3.478 -4.382 121 H ASN 24 H ASN 24 3.565 4.262 -4.574 122 HA ASN 24 HA ASN 24 5.572 4.671 -5.371 123 2HB ASN 24 2HB ASN 24 4.640 3.439 -7.250 124 1HD2 ASN 24 1HD2 ASN 24 2.411 3.504 -7.336 125 H GLY 25 H GLY 25 4.666 7.053 -4.199 126 1HA GLY 25 1HA GLY 25 6.076 9.079 -5.617 127 2HA GLY 25 2HA GLY 25 4.344 9.299 -5.771 128 H CYS 26 H CYS 26 7.022 10.102 -3.907 129 HA CYS 26 HA CYS 26 7.377 10.851 -1.877 130 2HB CYS 26 2HB CYS 26 5.657 12.104 -0.730 131 H ASP 27 H ASP 27 7.334 8.107 -2.051 132 HA ASP 27 HA ASP 27 5.374 6.937 -0.417 133 2HB ASP 27 2HB ASP 27 7.048 4.958 -0.483 134 HD2 ASP 27 HD2 ASP 27 7.652 4.038 -2.600 135 H THR 28 H THR 28 5.569 8.277 1.580 136 HA THR 28 HA THR 28 7.840 7.379 3.229 137 HB THR 28 HB THR 28 6.465 10.110 3.075 138 HG1 THR 28 HG1 THR 28 8.605 10.638 2.362 139 1HG2 THR 28 1HG2 THR 28 8.088 10.796 4.831 140 2HG2 THR 28 2HG2 THR 28 7.006 9.531 5.462 141 3HG2 THR 28 3HG2 THR 28 8.664 9.117 4.964 142 H ILE 29 H ILE 29 4.473 8.734 3.376 143 HA ILE 29 HA ILE 29 4.193 7.453 5.962 144 HB ILE 29 HB ILE 29 2.635 9.500 4.415 145 1HG2 ILE 29 1HG2 ILE 29 1.081 9.514 6.441 146 2HG2 ILE 29 2HG2 ILE 29 0.870 8.200 5.258 147 3HG2 ILE 29 3HG2 ILE 29 1.713 7.888 6.794 148 1HD1 ILE 29 1HD1 ILE 29 2.692 9.702 8.107 149 2HD1 ILE 29 2HD1 ILE 29 3.955 8.502 7.743 150 3HD1 ILE 29 3HD1 ILE 29 4.409 10.155 8.223 151 H ILE 30 H ILE 30 2.658 7.440 2.680 152 HA ILE 30 HA ILE 30 0.918 5.343 3.086 153 HB ILE 30 HB ILE 30 1.083 6.808 1.094 154 1HG2 ILE 30 1HG2 ILE 30 2.682 6.496 -0.606 155 2HG2 ILE 30 2HG2 ILE 30 3.609 6.556 0.913 156 3HG2 ILE 30 3HG2 ILE 30 3.292 4.992 0.125 157 1HD1 ILE 30 1HD1 ILE 30 1.598 4.518 -1.395 158 2HD1 ILE 30 2HD1 ILE 30 -0.170 4.318 -1.421 159 3HD1 ILE 30 3HD1 ILE 30 0.540 5.947 -1.316 160 H GLU 31 H GLU 31 4.454 5.388 2.976 161 HA GLU 31 HA GLU 31 4.853 3.024 1.673 162 2HB GLU 31 2HB GLU 31 6.579 4.325 3.826 163 2HG GLU 31 2HG GLU 31 7.222 2.276 1.655 164 HE2 GLU 31 HE2 GLU 31 10.298 3.944 3.635 165 H GLU 32 H GLU 32 4.530 3.665 5.220 166 HA GLU 32 HA GLU 32 4.926 0.927 5.839 167 2HB GLU 32 2HB GLU 32 3.845 3.191 7.575 168 2HG GLU 32 2HG GLU 32 5.039 0.457 8.222 169 HE2 GLU 32 HE2 GLU 32 3.274 2.779 9.875 170 H CYS 33 H CYS 33 2.165 3.092 5.225 171 HA CYS 33 HA CYS 33 0.200 1.417 6.321 172 2HB CYS 33 2HB CYS 33 -0.379 3.241 4.021 173 H LYS 34 H LYS 34 2.135 1.372 3.370 174 HA LYS 34 HA LYS 34 0.072 0.394 1.687 175 2HB LYS 34 2HB LYS 34 3.072 0.601 1.296 176 2HG LYS 34 2HG LYS 34 0.797 0.129 -0.689 177 2HD LYS 34 2HD LYS 34 2.786 1.714 -1.343 178 2HE LYS 34 2HE LYS 34 4.459 -0.018 -0.304 179 1HZ LYS 34 1HZ LYS 34 3.626 -1.952 -1.516 180 2HZ LYS 34 2HZ LYS 34 3.937 -1.257 -2.955 181 H THR 35 H THR 35 3.225 -1.169 2.645 182 HA THR 35 HA THR 35 2.515 -3.546 1.381 183 HB THR 35 HB THR 35 4.583 -2.780 3.496 184 HG1 THR 35 HG1 THR 35 4.888 -1.904 1.376 185 1HG2 THR 35 1HG2 THR 35 5.776 -4.878 2.718 186 2HG2 THR 35 2HG2 THR 35 4.310 -5.227 3.664 187 3HG2 THR 35 3HG2 THR 35 4.280 -5.371 1.890 188 H SER 36 H SER 36 1.746 -2.323 4.599 189 HA SER 36 HA SER 36 1.316 -4.516 6.029 190 2HB SER 36 2HB SER 36 -0.709 -3.291 6.997 191 HG SER 36 HG SER 36 1.365 -1.363 6.623 192 H MET 37 H MET 37 -1.119 -3.094 3.719 193 HA MET 37 HA MET 37 -2.571 -5.597 3.923 194 2HB MET 37 2HB MET 37 -4.397 -4.204 2.773 195 2HG MET 37 2HG MET 37 -4.765 -2.649 4.747 196 1HE MET 37 1HE MET 37 -3.806 -4.126 7.577 197 2HE MET 37 2HE MET 37 -5.432 -3.471 7.269 198 3HE MET 37 3HE MET 37 -5.240 -5.151 7.823 199 H VAL 38 H VAL 38 -0.544 -3.712 1.774 200 HA VAL 38 HA VAL 38 -1.789 -4.602 -0.637 201 HB VAL 38 HB VAL 38 0.645 -2.999 0.094 202 1HG1 VAL 38 1HG1 VAL 38 1.453 -4.217 -1.783 203 2HG1 VAL 38 2HG1 VAL 38 -0.094 -4.056 -2.648 204 3HG1 VAL 38 3HG1 VAL 38 0.942 -2.629 -2.403 205 1HG2 VAL 38 1HG2 VAL 38 -1.299 -1.690 0.202 206 2HG2 VAL 38 2HG2 VAL 38 -0.634 -1.335 -1.410 207 3HG2 VAL 38 3HG2 VAL 38 -2.009 -2.452 -1.241 208 H GLU 39 H GLU 39 0.304 -6.043 1.658 209 HA GLU 39 HA GLU 39 1.821 -7.705 0.126 210 2HB GLU 39 2HB GLU 39 0.330 -8.882 2.457 211 2HG GLU 39 2HG GLU 39 2.372 -9.914 1.241 212 HE2 GLU 39 HE2 GLU 39 4.908 -7.548 0.795 213 H ARG 40 H ARG 40 -1.701 -7.658 0.639 214 HA ARG 40 HA ARG 40 -2.072 -10.194 -0.562 215 2HB ARG 40 2HB ARG 40 -3.970 -7.896 0.112 216 2HG ARG 40 2HG ARG 40 -4.551 -10.649 -1.068 217 2HD ARG 40 2HD ARG 40 -6.991 -9.942 -0.709 218 HE ARG 40 HE ARG 40 -5.255 -11.202 1.140 219 1HH1 ARG 40 1HH1 ARG 40 -8.364 -9.502 1.173 220 2HH1 ARG 40 2HH1 ARG 40 -8.921 -10.290 2.611 221 2HH2 ARG 40 2HH2 ARG 40 -7.521 -11.919 3.674 222 H CYS 41 H CYS 41 -1.942 -6.781 -1.585 223 HA CYS 41 HA CYS 41 -2.948 -7.484 -4.216 224 2HB CYS 41 2HB CYS 41 -2.842 -5.032 -4.625 225 H GLN 42 H GLN 42 -0.293 -8.411 -3.027 226 HA GLN 42 HA GLN 42 1.763 -6.749 -3.700 227 2HB GLN 42 2HB GLN 42 1.681 -9.794 -3.574 228 2HG GLN 42 2HG GLN 42 4.019 -7.834 -3.634 229 1HE2 GLN 42 1HE2 GLN 42 4.292 -11.194 -4.271 230 2HE2 GLN 42 2HE2 GLN 42 5.224 -11.643 -2.883 231 H ASN 43 H ASN 43 -0.078 -9.065 -5.704 232 HA ASN 43 HA ASN 43 1.818 -9.124 -7.774 233 2HB ASN 43 2HB ASN 43 -1.182 -9.711 -7.947 234 1HD2 ASN 43 1HD2 ASN 43 -1.769 -11.021 -9.641 235 H GLN 44 H GLN 44 -1.009 -7.120 -6.889 236 HA GLN 44 HA GLN 44 -1.288 -6.126 -9.559 237 2HB GLN 44 2HB GLN 44 -2.813 -4.787 -7.396 238 2HG GLN 44 2HG GLN 44 -4.698 -5.766 -8.939 239 1HE2 GLN 44 1HE2 GLN 44 -5.560 -4.321 -10.411 240 2HE2 GLN 44 2HE2 GLN 44 -4.866 -2.771 -10.748 241 H GLU 45 H GLU 45 -0.888 -4.531 -6.299 242 HA GLU 45 HA GLU 45 0.271 -2.233 -7.327 243 2HB GLU 45 2HB GLU 45 1.292 -2.995 -4.680 244 2HG GLU 45 2HG GLU 45 0.922 -0.650 -5.669 245 HE2 GLU 45 HE2 GLU 45 -2.241 -0.023 -6.915 246 H PHE 46 H PHE 46 2.726 -1.678 -6.405 247 HA PHE 46 HA PHE 46 4.169 -3.401 -8.248 248 2HB PHE 46 2HB PHE 46 4.009 -0.917 -8.607 249 HD1 PHE 46 HD1 PHE 46 2.848 0.483 -7.045 250 HD2 PHE 46 HD2 PHE 46 6.766 -0.892 -6.172 251 HE1 PHE 46 HE1 PHE 46 3.009 2.138 -5.164 252 HE2 PHE 46 HE2 PHE 46 6.928 0.762 -4.291 253 HZ PHE 46 HZ PHE 46 5.048 2.258 -3.809 254 H GLU 47 H GLU 47 3.643 -3.601 -5.067 255 HA GLU 47 HA GLU 47 6.016 -3.253 -3.789 256 2HB GLU 47 2HB GLU 47 4.101 -5.551 -3.220 257 2HG GLU 47 2HG GLU 47 4.729 -4.332 -0.839 258 HE2 GLU 47 HE2 GLU 47 6.121 -5.630 0.367 259 H SER 48 H SER 48 4.787 -6.273 -5.409 260 HA SER 48 HA SER 48 7.379 -6.628 -6.474 261 2HB SER 48 2HB SER 48 6.328 -8.722 -4.521 262 HG SER 48 HG SER 48 8.838 -8.739 -5.949 263 H ALA 49 H ALA 49 5.652 -6.170 -8.214 264 HA ALA 49 HA ALA 49 3.487 -7.904 -8.552 265 1HB ALA 49 1HB ALA 49 3.575 -5.638 -9.476 266 2HB ALA 49 2HB ALA 49 4.945 -6.091 -10.518 267 3HB ALA 49 3HB ALA 49 3.343 -6.817 -10.787 268 H ALA 50 H ALA 50 6.841 -7.885 -9.877 269 HA ALA 50 HA ALA 50 6.229 -9.873 -11.820 270 1HB ALA 50 1HB ALA 50 8.660 -9.758 -12.261 271 2HB ALA 50 2HB ALA 50 7.942 -8.133 -12.159 272 3HB ALA 50 3HB ALA 50 8.879 -8.780 -10.791 273 H GLY 51 H GLY 51 7.150 -9.842 -8.434 274 1HA GLY 51 1HA GLY 51 8.348 -12.434 -8.368 275 2HA GLY 51 2HA GLY 51 7.799 -11.472 -7.010 276 H SER 52 H SER 52 5.037 -11.088 -7.810 277 HA SER 52 HA SER 52 4.169 -13.643 -6.851 278 2HB SER 52 2HB SER 52 1.885 -12.268 -6.873 279 HG SER 52 HG SER 52 2.816 -12.728 -4.880 280 H THR 53 H THR 53 4.188 -11.749 -9.824 281 HA THR 53 HA THR 53 1.999 -12.810 -11.153 282 HB THR 53 HB THR 53 4.729 -11.746 -12.002 283 HG1 THR 53 HG1 THR 53 2.889 -10.449 -11.030 284 1HG2 THR 53 1HG2 THR 53 3.966 -13.203 -13.860 285 2HG2 THR 53 2HG2 THR 53 2.332 -12.507 -13.753 286 3HG2 THR 53 3HG2 THR 53 3.696 -11.497 -14.289 287 H THR 54 H THR 54 1.460 -14.724 -12.030 288 HA THR 54 HA THR 54 1.550 -16.981 -12.019 289 HB THR 54 HB THR 54 3.161 -17.746 -13.807 290 HG1 THR 54 HG1 THR 54 4.810 -16.273 -14.348 291 1HG2 THR 54 1HG2 THR 54 1.065 -16.423 -14.462 292 2HG2 THR 54 2HG2 THR 54 2.075 -14.957 -14.447 293 3HG2 THR 54 3HG2 THR 54 2.421 -16.264 -15.605 294 H LEU 55 H LEU 55 2.613 -16.047 -9.574 295 HA LEU 55 HA LEU 55 4.734 -17.949 -9.070 296 2HB LEU 55 2HB LEU 55 3.091 -16.189 -7.247 297 HG LEU 55 HG LEU 55 4.045 -18.171 -6.044 298 1HD1 LEU 55 1HD1 LEU 55 5.993 -18.667 -7.321 299 2HD1 LEU 55 2HD1 LEU 55 6.656 -17.034 -7.066 300 3HD1 LEU 55 3HD1 LEU 55 6.534 -18.169 -5.700 301 1HD2 LEU 55 1HD2 LEU 55 5.245 -15.476 -5.348 302 2HD2 LEU 55 2HD2 LEU 55 3.625 -16.058 -4.896 303 3HD2 LEU 55 3HD2 LEU 55 5.074 -16.864 -4.247 304 H GLY 56 H GLY 56 1.179 -17.621 -8.774 305 1HA GLY 56 1HA GLY 56 0.522 -20.244 -8.995 306 2HA GLY 56 2HA GLY 56 0.899 -20.077 -7.292 307 HA PRO 57 HA PRO 57 -2.909 -17.961 -6.703 308 2HB PRO 57 2HB PRO 57 -2.609 -17.696 -4.436 309 2HG PRO 57 2HG PRO 57 -0.407 -17.707 -3.749 310 2HD PRO 57 2HD PRO 57 0.553 -18.892 -5.470 311 H GLN 58 H GLN 58 -0.298 -15.610 -7.036 312 HA GLN 58 HA GLN 58 -0.423 -13.542 -7.842 313 2HB GLN 58 2HB GLN 58 0.304 -14.947 -9.728 314 2HG GLN 58 2HG GLN 58 -2.680 -15.063 -10.368 315 1HE2 GLN 58 1HE2 GLN 58 -2.771 -17.014 -12.071 316 2HE2 GLN 58 2HE2 GLN 58 -1.873 -16.724 -13.524 Start of MODEL 14 1 1H ASP 1 1H ASP 1 -3.453 -9.851 -14.819 2 HA ASP 1 HA ASP 1 -4.626 -11.857 -14.649 3 2HB ASP 1 2HB ASP 1 -4.161 -12.531 -12.278 4 HD2 ASP 1 HD2 ASP 1 -0.647 -12.160 -12.340 5 H GLN 2 H GLN 2 -6.396 -9.188 -14.097 6 HA GLN 2 HA GLN 2 -8.369 -8.663 -13.352 7 2HB GLN 2 2HB GLN 2 -10.155 -10.431 -13.458 8 2HG GLN 2 2HG GLN 2 -8.118 -10.551 -15.735 9 1HE2 GLN 2 1HE2 GLN 2 -8.862 -12.782 -15.900 10 2HE2 GLN 2 2HE2 GLN 2 -10.349 -13.132 -16.715 11 H ASN 3 H ASN 3 -7.782 -7.945 -11.183 12 HA ASN 3 HA ASN 3 -7.874 -9.948 -9.129 13 2HB ASN 3 2HB ASN 3 -5.637 -10.403 -9.903 14 1HD2 ASN 3 1HD2 ASN 3 -4.790 -7.260 -8.692 15 H CYS 4 H CYS 4 -6.919 -8.770 -6.972 16 HA CYS 4 HA CYS 4 -8.430 -6.527 -6.495 17 2HB CYS 4 2HB CYS 4 -6.318 -8.019 -5.111 18 H ASP 5 H ASP 5 -7.702 -4.216 -6.154 19 HA ASP 5 HA ASP 5 -5.924 -3.704 -8.410 20 2HB ASP 5 2HB ASP 5 -7.472 -1.879 -9.053 21 HD2 ASP 5 HD2 ASP 5 -8.495 -5.223 -10.220 22 H ILE 6 H ILE 6 -4.852 -3.636 -5.819 23 HA ILE 6 HA ILE 6 -4.424 -2.473 -3.951 24 HB ILE 6 HB ILE 6 -3.064 -0.515 -4.380 25 1HG2 ILE 6 1HG2 ILE 6 -2.256 -2.859 -4.860 26 2HG2 ILE 6 2HG2 ILE 6 -2.569 -2.530 -6.580 27 3HG2 ILE 6 3HG2 ILE 6 -1.380 -1.551 -5.689 28 1HD1 ILE 6 1HD1 ILE 6 -2.354 1.370 -5.605 29 2HD1 ILE 6 2HD1 ILE 6 -1.701 0.332 -6.895 30 3HD1 ILE 6 3HD1 ILE 6 -2.858 1.624 -7.294 31 H GLY 7 H GLY 7 -4.547 0.304 -3.271 32 1HA GLY 7 1HA GLY 7 -5.677 2.274 -3.608 33 2HA GLY 7 2HA GLY 7 -6.872 1.447 -4.587 34 H ASN 8 H ASN 8 -6.310 -0.377 -1.728 35 HA ASN 8 HA ASN 8 -9.092 0.166 -1.267 36 2HB ASN 8 2HB ASN 8 -7.194 -2.049 -0.340 37 1HD2 ASN 8 1HD2 ASN 8 -7.685 -2.187 1.787 38 H ILE 9 H ILE 9 -6.052 -0.394 0.679 39 HA ILE 9 HA ILE 9 -7.239 0.778 3.015 40 HB ILE 9 HB ILE 9 -5.633 -1.140 3.005 41 1HG2 ILE 9 1HG2 ILE 9 -3.256 -0.712 2.799 42 2HG2 ILE 9 2HG2 ILE 9 -4.091 -0.264 1.293 43 3HG2 ILE 9 3HG2 ILE 9 -3.568 1.002 2.430 44 1HD1 ILE 9 1HD1 ILE 9 -7.200 0.731 5.143 45 2HD1 ILE 9 2HD1 ILE 9 -6.898 -1.008 4.914 46 3HD1 ILE 9 3HD1 ILE 9 -6.273 -0.179 6.360 47 H THR 10 H THR 10 -5.400 1.846 0.203 48 HA THR 10 HA THR 10 -3.906 3.830 1.590 49 HB THR 10 HB THR 10 -3.195 4.397 -0.749 50 HG1 THR 10 HG1 THR 10 -5.108 4.080 -1.933 51 1HG2 THR 10 1HG2 THR 10 -2.440 2.158 0.457 52 2HG2 THR 10 2HG2 THR 10 -3.536 1.378 -0.709 53 3HG2 THR 10 3HG2 THR 10 -2.152 2.333 -1.291 54 H SER 11 H SER 11 -7.116 3.713 0.160 55 HA SER 11 HA SER 11 -7.629 6.307 -0.319 56 2HB SER 11 2HB SER 11 -9.383 4.308 1.177 57 HG SER 11 HG SER 11 -10.387 6.326 1.354 58 H GLN 12 H GLN 12 -7.194 4.666 2.840 59 HA GLN 12 HA GLN 12 -8.088 6.919 4.309 60 2HB GLN 12 2HB GLN 12 -6.489 4.503 5.262 61 2HG GLN 12 2HG GLN 12 -8.208 6.594 6.663 62 1HE2 GLN 12 1HE2 GLN 12 -6.023 3.988 7.662 63 2HE2 GLN 12 2HE2 GLN 12 -7.108 3.182 8.744 64 H CYS 13 H CYS 13 -4.938 5.585 3.212 65 HA CYS 13 HA CYS 13 -3.476 7.079 5.134 66 2HB CYS 13 2HB CYS 13 -1.531 6.096 4.194 67 H GLN 14 H GLN 14 -4.642 7.521 1.801 68 HA GLN 14 HA GLN 14 -2.419 9.095 1.042 69 2HB GLN 14 2HB GLN 14 -3.936 9.473 -1.048 70 2HG GLN 14 2HG GLN 14 -3.039 6.727 -0.075 71 1HE2 GLN 14 1HE2 GLN 14 -2.598 7.886 -3.275 72 2HE2 GLN 14 2HE2 GLN 14 -3.680 6.812 -4.098 73 H MET 15 H MET 15 -5.720 9.691 2.248 74 HA MET 15 HA MET 15 -5.609 12.436 1.421 75 2HB MET 15 2HB MET 15 -7.705 10.944 1.385 76 2HG MET 15 2HG MET 15 -7.739 11.500 4.386 77 1HE MET 15 1HE MET 15 -9.717 10.509 5.756 78 2HE MET 15 2HE MET 15 -10.809 9.254 5.122 79 3HE MET 15 3HE MET 15 -9.069 8.918 5.287 80 H GLN 16 H GLN 16 -4.711 10.531 4.190 81 HA GLN 16 HA GLN 16 -5.584 12.476 6.088 82 2HB GLN 16 2HB GLN 16 -4.226 10.751 7.626 83 2HG GLN 16 2HG GLN 16 -6.819 10.042 6.172 84 1HE2 GLN 16 1HE2 GLN 16 -8.285 9.253 8.178 85 2HE2 GLN 16 2HE2 GLN 16 -7.635 7.892 9.032 86 H HIS 17 H HIS 17 -2.365 11.024 5.137 87 HA HIS 17 HA HIS 17 -1.112 13.329 6.406 88 2HB HIS 17 2HB HIS 17 -1.052 11.967 8.252 89 HD1 HIS 17 HD1 HIS 17 -1.514 9.743 9.392 90 HD2 HIS 17 HD2 HIS 17 -0.739 9.349 5.288 91 HE1 HIS 17 HE1 HIS 17 -2.040 7.318 8.795 92 H LYS 18 H LYS 18 -1.279 13.135 3.673 93 HA LYS 18 HA LYS 18 1.252 12.161 2.749 94 2HB LYS 18 2HB LYS 18 -1.246 10.644 1.942 95 2HG LYS 18 2HG LYS 18 0.566 10.853 0.197 96 2HD LYS 18 2HD LYS 18 2.509 9.080 1.231 97 2HE LYS 18 2HE LYS 18 2.579 12.120 0.922 98 1HZ LYS 18 1HZ LYS 18 4.938 10.418 0.622 99 2HZ LYS 18 2HZ LYS 18 4.846 11.962 1.136 100 H ASN 19 H ASN 19 1.236 14.482 2.196 101 HA ASN 19 HA ASN 19 -0.451 15.605 0.388 102 2HB ASN 19 2HB ASN 19 2.588 15.882 0.242 103 1HD2 ASN 19 1HD2 ASN 19 3.025 18.326 0.233 104 H CYS 20 H CYS 20 -0.043 15.947 -2.048 105 HA CYS 20 HA CYS 20 0.612 15.333 -4.077 106 2HB CYS 20 2HB CYS 20 2.350 13.826 -4.535 107 H GLU 21 H GLU 21 0.081 12.415 -1.929 108 HA GLU 21 HA GLU 21 -1.799 11.343 -1.616 109 2HB GLU 21 2HB GLU 21 -3.159 12.750 -3.937 110 2HG GLU 21 2HG GLU 21 -4.095 11.711 -1.220 111 HE2 GLU 21 HE2 GLU 21 -4.823 13.750 -0.967 112 H ASP 22 H ASP 22 0.298 10.268 -3.146 113 HA ASP 22 HA ASP 22 -1.175 8.654 -5.043 114 2HB ASP 22 2HB ASP 22 0.163 9.162 -6.869 115 HD2 ASP 22 HD2 ASP 22 -1.038 12.497 -6.322 116 H ALA 23 H ALA 23 -0.117 6.525 -5.378 117 HA ALA 23 HA ALA 23 1.812 5.788 -3.382 118 1HB ALA 23 1HB ALA 23 0.067 4.221 -4.033 119 2HB ALA 23 2HB ALA 23 0.565 4.320 -5.739 120 3HB ALA 23 3HB ALA 23 1.645 3.570 -4.538 121 H ASN 24 H ASN 24 1.792 7.022 -6.680 122 HA ASN 24 HA ASN 24 4.404 5.836 -7.131 123 2HB ASN 24 2HB ASN 24 3.950 6.040 -9.491 124 1HD2 ASN 24 1HD2 ASN 24 0.650 6.626 -8.673 125 H GLY 25 H GLY 25 4.157 8.143 -5.391 126 1HA GLY 25 1HA GLY 25 5.644 10.126 -6.951 127 2HA GLY 25 2HA GLY 25 4.173 10.648 -6.153 128 H CYS 26 H CYS 26 4.138 10.965 -3.882 129 HA CYS 26 HA CYS 26 6.777 11.625 -3.036 130 2HB CYS 26 2HB CYS 26 5.498 12.559 -1.027 131 H ASP 27 H ASP 27 4.051 9.498 -1.774 132 HA ASP 27 HA ASP 27 4.224 7.468 -0.985 133 2HB ASP 27 2HB ASP 27 6.674 7.501 -2.810 134 HD2 ASP 27 HD2 ASP 27 7.697 6.043 -1.605 135 H THR 28 H THR 28 4.839 8.326 1.236 136 HA THR 28 HA THR 28 7.517 7.351 1.951 137 HB THR 28 HB THR 28 6.142 9.966 2.737 138 HG1 THR 28 HG1 THR 28 7.495 9.865 0.793 139 1HG2 THR 28 1HG2 THR 28 8.671 8.657 3.870 140 2HG2 THR 28 2HG2 THR 28 8.179 10.343 4.160 141 3HG2 THR 28 3HG2 THR 28 7.184 9.006 4.784 142 H ILE 29 H ILE 29 4.434 8.537 3.464 143 HA ILE 29 HA ILE 29 4.718 6.589 5.543 144 HB ILE 29 HB ILE 29 3.725 8.961 5.646 145 1HG2 ILE 29 1HG2 ILE 29 1.488 9.313 5.106 146 2HG2 ILE 29 2HG2 ILE 29 2.105 8.383 3.719 147 3HG2 ILE 29 3HG2 ILE 29 1.139 7.572 4.976 148 1HD1 ILE 29 1HD1 ILE 29 4.925 7.489 7.596 149 2HD1 ILE 29 2HD1 ILE 29 4.105 9.025 7.967 150 3HD1 ILE 29 3HD1 ILE 29 3.766 7.576 8.944 151 H ILE 30 H ILE 30 3.337 6.725 2.333 152 HA ILE 30 HA ILE 30 1.204 4.928 2.812 153 HB ILE 30 HB ILE 30 1.606 6.701 0.945 154 1HG2 ILE 30 1HG2 ILE 30 2.631 4.268 -0.521 155 2HG2 ILE 30 2HG2 ILE 30 2.535 5.952 -1.087 156 3HG2 ILE 30 3HG2 ILE 30 3.710 5.502 0.172 157 1HD1 ILE 30 1HD1 ILE 30 0.122 6.638 -1.037 158 2HD1 ILE 30 2HD1 ILE 30 0.463 5.011 -1.673 159 3HD1 ILE 30 3HD1 ILE 30 -1.170 5.416 -1.092 160 H GLU 31 H GLU 31 4.612 4.549 2.643 161 HA GLU 31 HA GLU 31 4.913 2.302 1.144 162 2HB GLU 31 2HB GLU 31 6.397 3.152 3.668 163 2HG GLU 31 2HG GLU 31 7.174 1.174 1.473 164 HE2 GLU 31 HE2 GLU 31 10.369 2.371 2.187 165 H GLU 32 H GLU 32 4.512 2.436 4.765 166 HA GLU 32 HA GLU 32 4.123 -0.418 4.706 167 2HB GLU 32 2HB GLU 32 5.619 0.969 6.373 168 2HG GLU 32 2HG GLU 32 4.405 1.480 8.494 169 HE2 GLU 32 HE2 GLU 32 5.630 3.142 6.786 170 H CYS 33 H CYS 33 2.295 2.554 4.901 171 HA CYS 33 HA CYS 33 0.035 1.521 6.219 172 2HB CYS 33 2HB CYS 33 -0.059 3.719 4.169 173 H LYS 34 H LYS 34 1.310 1.476 2.881 174 HA LYS 34 HA LYS 34 -1.075 0.263 1.831 175 2HB LYS 34 2HB LYS 34 1.685 0.620 0.625 176 2HG LYS 34 2HG LYS 34 -0.974 0.148 -0.782 177 2HD LYS 34 2HD LYS 34 0.776 -0.668 -2.558 178 2HE LYS 34 2HE LYS 34 1.301 1.865 -3.109 179 1HZ LYS 34 1HZ LYS 34 -1.459 0.785 -2.897 180 2HZ LYS 34 2HZ LYS 34 -1.080 2.125 -3.741 181 H THR 35 H THR 35 2.352 -0.846 2.447 182 HA THR 35 HA THR 35 1.880 -3.302 1.230 183 HB THR 35 HB THR 35 3.975 -2.369 3.262 184 HG1 THR 35 HG1 THR 35 4.156 -1.193 1.333 185 1HG2 THR 35 1HG2 THR 35 5.401 -4.140 2.188 186 2HG2 THR 35 2HG2 THR 35 4.028 -4.851 3.072 187 3HG2 THR 35 3HG2 THR 35 3.975 -4.723 1.297 188 H SER 36 H SER 36 1.271 -2.202 4.541 189 HA SER 36 HA SER 36 1.370 -4.511 5.903 190 2HB SER 36 2HB SER 36 -0.759 -3.461 7.130 191 HG SER 36 HG SER 36 1.335 -3.280 8.038 192 H MET 37 H MET 37 -1.664 -3.199 4.347 193 HA MET 37 HA MET 37 -2.793 -5.838 4.754 194 2HB MET 37 2HB MET 37 -4.931 -4.337 4.046 195 2HG MET 37 2HG MET 37 -3.439 -4.461 6.678 196 1HE MET 37 1HE MET 37 -4.201 -0.963 7.754 197 2HE MET 37 2HE MET 37 -3.342 -2.461 8.184 198 3HE MET 37 3HE MET 37 -3.145 -1.757 6.561 199 H VAL 38 H VAL 38 -1.281 -4.054 2.324 200 HA VAL 38 HA VAL 38 -2.970 -5.143 0.206 201 HB VAL 38 HB VAL 38 -0.663 -3.187 0.167 202 1HG1 VAL 38 1HG1 VAL 38 -0.668 -4.299 -1.940 203 2HG1 VAL 38 2HG1 VAL 38 -2.445 -4.237 -2.049 204 3HG1 VAL 38 3HG1 VAL 38 -1.491 -2.740 -2.187 205 1HG2 VAL 38 1HG2 VAL 38 -2.386 -1.501 -0.322 206 2HG2 VAL 38 2HG2 VAL 38 -3.650 -2.742 -0.159 207 3HG2 VAL 38 3HG2 VAL 38 -2.668 -2.282 1.252 208 H GLU 39 H GLU 39 -0.572 -6.236 2.190 209 HA GLU 39 HA GLU 39 1.437 -7.075 0.547 210 2HB GLU 39 2HB GLU 39 0.785 -9.077 2.587 211 2HG GLU 39 2HG GLU 39 2.964 -8.360 3.485 212 HE2 GLU 39 HE2 GLU 39 4.345 -7.230 1.015 213 H ARG 40 H ARG 40 -1.706 -8.680 1.334 214 HA ARG 40 HA ARG 40 -1.130 -11.025 -0.014 215 2HB ARG 40 2HB ARG 40 -2.991 -10.766 1.631 216 2HG ARG 40 2HG ARG 40 -3.640 -8.482 0.180 217 2HD ARG 40 2HD ARG 40 -5.740 -10.636 -0.374 218 HE ARG 40 HE ARG 40 -6.035 -7.802 -0.156 219 1HH1 ARG 40 1HH1 ARG 40 -6.819 -10.407 -2.426 220 2HH1 ARG 40 2HH1 ARG 40 -8.217 -9.603 -3.058 221 2HH2 ARG 40 2HH2 ARG 40 -8.821 -7.448 -2.201 222 H CYS 41 H CYS 41 -1.857 -7.820 -1.144 223 HA CYS 41 HA CYS 41 -2.812 -8.875 -3.702 224 2HB CYS 41 2HB CYS 41 -3.194 -6.133 -2.479 225 H GLN 42 H GLN 42 0.028 -8.548 -2.493 226 HA GLN 42 HA GLN 42 1.315 -6.429 -3.634 227 2HB GLN 42 2HB GLN 42 2.457 -9.240 -3.355 228 2HG GLN 42 2HG GLN 42 3.832 -6.583 -2.824 229 1HE2 GLN 42 1HE2 GLN 42 4.448 -8.235 -1.090 230 2HE2 GLN 42 2HE2 GLN 42 5.819 -9.239 -1.424 231 H ASN 43 H ASN 43 0.009 -9.365 -5.110 232 HA ASN 43 HA ASN 43 1.258 -9.684 -7.393 233 2HB ASN 43 2HB ASN 43 -1.761 -9.221 -7.125 234 1HD2 ASN 43 1HD2 ASN 43 0.368 -11.665 -8.561 235 H GLN 44 H GLN 44 -0.968 -6.936 -6.573 236 HA GLN 44 HA GLN 44 -0.630 -5.889 -9.235 237 2HB GLN 44 2HB GLN 44 -2.344 -4.872 -6.926 238 2HG GLN 44 2HG GLN 44 -1.884 -3.174 -8.705 239 1HE2 GLN 44 1HE2 GLN 44 -0.637 -3.583 -10.444 240 2HE2 GLN 44 2HE2 GLN 44 -1.221 -4.239 -11.937 241 H GLU 45 H GLU 45 0.143 -5.091 -5.807 242 HA GLU 45 HA GLU 45 0.663 -2.396 -6.405 243 2HB GLU 45 2HB GLU 45 0.101 -3.787 -4.120 244 2HG GLU 45 2HG GLU 45 3.023 -2.950 -3.860 245 HE2 GLU 45 HE2 GLU 45 1.873 -5.021 -0.758 246 H PHE 46 H PHE 46 2.553 -5.363 -6.480 247 HA PHE 46 HA PHE 46 4.705 -5.794 -6.766 248 2HB PHE 46 2HB PHE 46 4.609 -3.116 -8.278 249 HD1 PHE 46 HD1 PHE 46 5.474 -6.603 -9.241 250 HD2 PHE 46 HD2 PHE 46 6.855 -2.630 -8.679 251 HE1 PHE 46 HE1 PHE 46 7.684 -7.227 -10.257 252 HE2 PHE 46 HE2 PHE 46 9.064 -3.254 -9.696 253 HZ PHE 46 HZ PHE 46 9.451 -5.546 -10.472 254 H GLU 47 H GLU 47 4.921 -5.198 -4.350 255 HA GLU 47 HA GLU 47 6.053 -2.665 -3.796 256 2HB GLU 47 2HB GLU 47 6.075 -5.128 -2.006 257 2HG GLU 47 2HG GLU 47 7.359 -3.055 -1.286 258 HE2 GLU 47 HE2 GLU 47 5.884 0.093 -1.113 259 H SER 48 H SER 48 7.790 -2.925 -5.543 260 HA SER 48 HA SER 48 9.773 -3.439 -6.270 261 2HB SER 48 2HB SER 48 10.580 -3.758 -3.348 262 HG SER 48 HG SER 48 12.590 -2.939 -4.098 263 H ALA 49 H ALA 49 7.943 -5.650 -6.118 264 HA ALA 49 HA ALA 49 9.711 -7.873 -6.107 265 1HB ALA 49 1HB ALA 49 8.468 -9.071 -4.239 266 2HB ALA 49 2HB ALA 49 9.543 -7.752 -3.715 267 3HB ALA 49 3HB ALA 49 7.784 -7.491 -3.788 268 H ALA 50 H ALA 50 8.469 -9.918 -6.676 269 HA ALA 50 HA ALA 50 6.735 -9.034 -8.789 270 1HB ALA 50 1HB ALA 50 7.024 -11.340 -9.596 271 2HB ALA 50 2HB ALA 50 8.595 -10.628 -9.158 272 3HB ALA 50 3HB ALA 50 7.808 -11.790 -8.063 273 H GLY 51 H GLY 51 6.542 -10.943 -5.757 274 1HA GLY 51 1HA GLY 51 3.713 -10.621 -5.599 275 2HA GLY 51 2HA GLY 51 4.137 -12.236 -6.129 276 H SER 52 H SER 52 2.829 -11.823 -3.668 277 HA SER 52 HA SER 52 4.661 -11.606 -1.561 278 2HB SER 52 2HB SER 52 1.859 -12.809 -1.662 279 HG SER 52 HG SER 52 3.044 -11.688 0.687 280 H THR 53 H THR 53 5.815 -13.201 -0.426 281 HA THR 53 HA THR 53 6.916 -15.115 -0.170 282 HB THR 53 HB THR 53 4.161 -15.781 -0.262 283 HG1 THR 53 HG1 THR 53 5.525 -16.448 1.436 284 1HG2 THR 53 1HG2 THR 53 5.842 -17.930 -1.643 285 2HG2 THR 53 2HG2 THR 53 4.102 -17.987 -1.277 286 3HG2 THR 53 3HG2 THR 53 4.710 -16.881 -2.531 287 H THR 54 H THR 54 8.031 -16.931 -1.327 288 HA THR 54 HA THR 54 9.121 -15.758 -3.636 289 HB THR 54 HB THR 54 10.305 -18.102 -3.655 290 HG1 THR 54 HG1 THR 54 9.735 -19.329 -1.758 291 1HG2 THR 54 1HG2 THR 54 11.590 -17.619 -1.606 292 2HG2 THR 54 2HG2 THR 54 11.265 -16.086 -2.450 293 3HG2 THR 54 3HG2 THR 54 10.304 -16.536 -1.021 294 H LEU 55 H LEU 55 7.288 -18.881 -3.309 295 HA LEU 55 HA LEU 55 6.691 -18.804 -6.120 296 2HB LEU 55 2HB LEU 55 5.354 -20.635 -4.172 297 HG LEU 55 HG LEU 55 5.599 -22.310 -5.835 298 1HD1 LEU 55 1HD1 LEU 55 4.327 -21.427 -7.692 299 2HD1 LEU 55 2HD1 LEU 55 3.756 -20.699 -6.171 300 3HD1 LEU 55 3HD1 LEU 55 4.799 -19.764 -7.270 301 1HD2 LEU 55 1HD2 LEU 55 7.916 -21.677 -6.508 302 2HD2 LEU 55 2HD2 LEU 55 6.849 -22.097 -7.870 303 3HD2 LEU 55 3HD2 LEU 55 7.222 -20.390 -7.523 304 H GLY 56 H GLY 56 5.773 -16.538 -5.927 305 1HA GLY 56 1HA GLY 56 3.229 -16.333 -4.537 306 2HA GLY 56 2HA GLY 56 4.098 -15.065 -5.378 307 HA PRO 57 HA PRO 57 0.829 -16.321 -8.275 308 2HB PRO 57 2HB PRO 57 -1.041 -15.329 -7.369 309 2HG PRO 57 2HG PRO 57 -0.629 -13.990 -5.536 310 2HD PRO 57 2HD PRO 57 1.344 -14.911 -4.795 311 H GLN 58 H GLN 58 2.453 -13.204 -7.921 312 HA GLN 58 HA GLN 58 2.530 -11.657 -9.566 313 2HB GLN 58 2HB GLN 58 4.798 -12.487 -9.181 314 2HG GLN 58 2HG GLN 58 5.647 -14.176 -11.014 315 1HE2 GLN 58 1HE2 GLN 58 4.602 -16.706 -10.474 316 2HE2 GLN 58 2HE2 GLN 58 4.614 -17.053 -8.777 Start of MODEL 15 1 1H ASP 1 1H ASP 1 -2.046 -8.496 -14.134 2 HA ASP 1 HA ASP 1 -1.856 -7.754 -11.930 3 2HB ASP 1 2HB ASP 1 -1.953 -5.239 -12.234 4 HD2 ASP 1 HD2 ASP 1 0.944 -5.183 -14.077 5 H GLN 2 H GLN 2 -4.922 -8.323 -12.988 6 HA GLN 2 HA GLN 2 -6.354 -6.541 -11.300 7 2HB GLN 2 2HB GLN 2 -7.383 -9.136 -12.508 8 2HG GLN 2 2HG GLN 2 -8.858 -6.503 -12.258 9 1HE2 GLN 2 1HE2 GLN 2 -9.864 -9.393 -10.704 10 2HE2 GLN 2 2HE2 GLN 2 -11.090 -9.878 -11.828 11 H ASN 3 H ASN 3 -6.769 -6.776 -9.135 12 HA ASN 3 HA ASN 3 -7.370 -9.290 -8.082 13 2HB ASN 3 2HB ASN 3 -5.089 -9.845 -7.818 14 1HD2 ASN 3 1HD2 ASN 3 -3.787 -8.859 -9.294 15 H CYS 4 H CYS 4 -6.027 -5.976 -7.419 16 HA CYS 4 HA CYS 4 -8.144 -5.344 -5.639 17 2HB CYS 4 2HB CYS 4 -5.598 -6.392 -4.537 18 H ASP 5 H ASP 5 -7.936 -2.963 -5.008 19 HA ASP 5 HA ASP 5 -7.026 -2.040 -7.580 20 2HB ASP 5 2HB ASP 5 -8.853 -0.564 -5.644 21 HD2 ASP 5 HD2 ASP 5 -10.592 0.233 -6.866 22 H ILE 6 H ILE 6 -5.085 -2.256 -5.368 23 HA ILE 6 HA ILE 6 -3.667 -1.067 -4.116 24 HB ILE 6 HB ILE 6 -2.902 -0.803 -6.439 25 1HG2 ILE 6 1HG2 ILE 6 -4.504 1.758 -6.310 26 2HG2 ILE 6 2HG2 ILE 6 -3.208 1.472 -7.495 27 3HG2 ILE 6 3HG2 ILE 6 -4.644 0.422 -7.477 28 1HD1 ILE 6 1HD1 ILE 6 -0.638 -0.356 -6.479 29 2HD1 ILE 6 2HD1 ILE 6 -1.044 1.278 -7.058 30 3HD1 ILE 6 3HD1 ILE 6 0.047 1.072 -5.666 31 H GLY 7 H GLY 7 -6.396 -0.576 -3.371 32 1HA GLY 7 1HA GLY 7 -6.265 2.132 -2.347 33 2HA GLY 7 2HA GLY 7 -7.479 1.867 -3.584 34 H ASN 8 H ASN 8 -6.413 -0.679 -1.302 35 HA ASN 8 HA ASN 8 -9.154 -0.811 -0.405 36 2HB ASN 8 2HB ASN 8 -8.161 -2.923 -1.167 37 1HD2 ASN 8 1HD2 ASN 8 -6.870 -4.510 0.986 38 H ILE 9 H ILE 9 -5.739 -0.535 0.770 39 HA ILE 9 HA ILE 9 -6.804 0.366 3.352 40 HB ILE 9 HB ILE 9 -5.264 -1.600 3.322 41 1HG2 ILE 9 1HG2 ILE 9 -3.176 0.442 2.514 42 2HG2 ILE 9 2HG2 ILE 9 -2.892 -1.263 2.942 43 3HG2 ILE 9 3HG2 ILE 9 -3.814 -0.855 1.475 44 1HD1 ILE 9 1HD1 ILE 9 -6.632 0.297 5.526 45 2HD1 ILE 9 2HD1 ILE 9 -6.317 -1.442 5.310 46 3HD1 ILE 9 3HD1 ILE 9 -5.586 -0.567 6.678 47 H THR 10 H THR 10 -4.803 1.183 0.499 48 HA THR 10 HA THR 10 -3.383 3.251 1.797 49 HB THR 10 HB THR 10 -2.804 3.753 -0.694 50 HG1 THR 10 HG1 THR 10 -3.810 2.287 -2.144 51 1HG2 THR 10 1HG2 THR 10 -1.525 1.677 -0.998 52 2HG2 THR 10 2HG2 THR 10 -1.461 2.118 0.725 53 3HG2 THR 10 3HG2 THR 10 -2.557 0.828 0.179 54 H SER 11 H SER 11 -6.433 3.158 -0.072 55 HA SER 11 HA SER 11 -6.441 5.737 -0.912 56 2HB SER 11 2HB SER 11 -8.768 3.952 -0.084 57 HG SER 11 HG SER 11 -8.806 6.297 -1.785 58 H GLN 12 H GLN 12 -7.287 4.367 2.283 59 HA GLN 12 HA GLN 12 -8.579 6.671 3.217 60 2HB GLN 12 2HB GLN 12 -7.224 4.463 4.827 61 2HG GLN 12 2HG GLN 12 -9.423 6.484 5.450 62 1HE2 GLN 12 1HE2 GLN 12 -7.406 4.283 7.349 63 2HE2 GLN 12 2HE2 GLN 12 -8.684 3.437 8.154 64 H CYS 13 H CYS 13 -5.188 5.467 3.319 65 HA CYS 13 HA CYS 13 -4.468 7.433 5.273 66 2HB CYS 13 2HB CYS 13 -2.170 6.471 4.941 67 H GLN 14 H GLN 14 -4.638 7.087 1.788 68 HA GLN 14 HA GLN 14 -2.539 8.767 1.090 69 2HB GLN 14 2HB GLN 14 -4.027 9.036 -1.065 70 2HG GLN 14 2HG GLN 14 -3.591 6.553 -1.629 71 1HE2 GLN 14 1HE2 GLN 14 -1.162 5.742 -1.586 72 2HE2 GLN 14 2HE2 GLN 14 0.005 6.969 -1.956 73 H MET 15 H MET 15 -5.878 9.365 2.160 74 HA MET 15 HA MET 15 -5.704 12.119 1.336 75 2HB MET 15 2HB MET 15 -8.083 12.171 2.232 76 2HG MET 15 2HG MET 15 -7.443 9.799 0.410 77 1HE MET 15 1HE MET 15 -9.515 10.441 -1.794 78 2HE MET 15 2HE MET 15 -9.292 8.815 -1.104 79 3HE MET 15 3HE MET 15 -10.927 9.502 -1.257 80 H GLN 16 H GLN 16 -4.548 10.341 3.917 81 HA GLN 16 HA GLN 16 -5.638 11.999 5.989 82 2HB GLN 16 2HB GLN 16 -3.656 9.688 6.175 83 2HG GLN 16 2HG GLN 16 -5.468 11.021 8.243 84 1HE2 GLN 16 1HE2 GLN 16 -6.412 8.837 8.371 85 2HE2 GLN 16 2HE2 GLN 16 -5.628 7.635 9.341 86 H HIS 17 H HIS 17 -2.442 11.278 4.449 87 HA HIS 17 HA HIS 17 -1.302 13.622 5.638 88 2HB HIS 17 2HB HIS 17 -1.012 12.375 7.576 89 HD1 HIS 17 HD1 HIS 17 -0.821 10.158 8.868 90 HD2 HIS 17 HD2 HIS 17 -0.559 9.703 4.706 91 HE1 HIS 17 HE1 HIS 17 -0.982 7.653 8.411 92 H LYS 18 H LYS 18 -1.759 12.959 2.939 93 HA LYS 18 HA LYS 18 0.856 12.072 1.996 94 2HB LYS 18 2HB LYS 18 -1.193 10.750 0.471 95 2HG LYS 18 2HG LYS 18 0.126 8.725 1.325 96 2HD LYS 18 2HD LYS 18 0.969 10.886 -0.404 97 2HE LYS 18 2HE LYS 18 2.826 11.024 1.395 98 1HZ LYS 18 1HZ LYS 18 4.511 9.182 0.965 99 2HZ LYS 18 2HZ LYS 18 3.226 8.754 1.870 100 H ASN 19 H ASN 19 1.273 14.173 1.178 101 HA ASN 19 HA ASN 19 -0.308 15.473 -0.636 102 2HB ASN 19 2HB ASN 19 1.922 16.232 -1.639 103 1HD2 ASN 19 1HD2 ASN 19 3.120 15.512 1.468 104 H CYS 20 H CYS 20 -0.407 15.329 -3.017 105 HA CYS 20 HA CYS 20 0.017 14.494 -5.041 106 2HB CYS 20 2HB CYS 20 2.199 13.501 -3.785 107 H GLU 21 H GLU 21 -0.657 12.108 -2.385 108 HA GLU 21 HA GLU 21 -2.493 11.043 -1.929 109 2HB GLU 21 2HB GLU 21 -4.029 12.326 -4.194 110 2HG GLU 21 2HG GLU 21 -5.510 12.694 -1.978 111 HE2 GLU 21 HE2 GLU 21 -6.359 12.368 -4.033 112 H ASP 22 H ASP 22 -0.688 9.613 -3.404 113 HA ASP 22 HA ASP 22 -2.311 7.881 -4.945 114 2HB ASP 22 2HB ASP 22 -0.670 8.160 -6.980 115 HD2 ASP 22 HD2 ASP 22 -4.070 9.293 -7.579 116 H ALA 23 H ALA 23 -0.826 6.029 -5.856 117 HA ALA 23 HA ALA 23 1.624 5.854 -4.239 118 1HB ALA 23 1HB ALA 23 -0.390 3.713 -5.028 119 2HB ALA 23 2HB ALA 23 1.190 3.372 -4.281 120 3HB ALA 23 3HB ALA 23 -0.033 4.307 -3.388 121 H ASN 24 H ASN 24 2.957 6.758 -5.903 122 HA ASN 24 HA ASN 24 3.555 4.645 -7.794 123 2HB ASN 24 2HB ASN 24 4.122 6.344 -9.545 124 1HD2 ASN 24 1HD2 ASN 24 1.495 8.072 -8.136 125 H GLY 25 H GLY 25 4.582 7.890 -6.476 126 1HA GLY 25 1HA GLY 25 7.076 6.768 -5.518 127 2HA GLY 25 2HA GLY 25 7.242 7.896 -6.850 128 H CYS 26 H CYS 26 4.863 7.875 -4.104 129 HA CYS 26 HA CYS 26 6.175 10.321 -3.163 130 2HB CYS 26 2HB CYS 26 4.142 11.135 -2.352 131 H ASP 27 H ASP 27 6.472 7.163 -2.740 132 HA ASP 27 HA ASP 27 5.008 6.496 -0.520 133 2HB ASP 27 2HB ASP 27 7.574 5.349 -1.696 134 HD2 ASP 27 HD2 ASP 27 7.986 3.149 0.893 135 H THR 28 H THR 28 5.277 7.295 1.586 136 HA THR 28 HA THR 28 7.877 6.846 2.753 137 HB THR 28 HB THR 28 6.650 9.592 2.383 138 HG1 THR 28 HG1 THR 28 8.513 8.851 1.148 139 1HG2 THR 28 1HG2 THR 28 8.421 8.662 4.701 140 2HG2 THR 28 2HG2 THR 28 8.266 10.364 4.201 141 3HG2 THR 28 3HG2 THR 28 6.849 9.487 4.826 142 H ILE 29 H ILE 29 4.748 8.514 3.545 143 HA ILE 29 HA ILE 29 4.834 7.164 6.108 144 HB ILE 29 HB ILE 29 4.396 9.624 5.802 145 1HG2 ILE 29 1HG2 ILE 29 2.051 10.266 5.276 146 2HG2 ILE 29 2HG2 ILE 29 2.941 9.597 3.887 147 3HG2 ILE 29 3HG2 ILE 29 1.750 8.593 4.748 148 1HD1 ILE 29 1HD1 ILE 29 5.021 8.194 8.074 149 2HD1 ILE 29 2HD1 ILE 29 4.684 9.942 8.099 150 3HD1 ILE 29 3HD1 ILE 29 3.871 8.862 9.258 151 H ILE 30 H ILE 30 3.315 6.911 2.959 152 HA ILE 30 HA ILE 30 1.052 5.440 3.769 153 HB ILE 30 HB ILE 30 1.498 6.640 1.576 154 1HG2 ILE 30 1HG2 ILE 30 3.718 5.522 1.196 155 2HG2 ILE 30 2HG2 ILE 30 2.825 4.034 0.801 156 3HG2 ILE 30 3HG2 ILE 30 2.604 5.495 -0.193 157 1HD1 ILE 30 1HD1 ILE 30 -1.809 5.206 1.599 158 2HD1 ILE 30 2HD1 ILE 30 -0.803 6.006 2.830 159 3HD1 ILE 30 3HD1 ILE 30 -0.889 6.673 1.183 160 H GLU 31 H GLU 31 4.458 4.720 3.696 161 HA GLU 31 HA GLU 31 4.408 2.230 2.566 162 2HB GLU 31 2HB GLU 31 6.311 3.233 4.730 163 2HG GLU 31 2HG GLU 31 6.501 1.079 2.582 164 HE2 GLU 31 HE2 GLU 31 8.443 1.793 5.209 165 H GLU 32 H GLU 32 3.744 3.274 5.919 166 HA GLU 32 HA GLU 32 3.853 0.641 6.948 167 2HB GLU 32 2HB GLU 32 2.617 3.166 8.134 168 2HG GLU 32 2HG GLU 32 3.534 0.542 9.401 169 HE2 GLU 32 HE2 GLU 32 2.476 0.618 11.516 170 H CYS 33 H CYS 33 1.246 2.926 5.927 171 HA CYS 33 HA CYS 33 -0.890 1.266 6.579 172 2HB CYS 33 2HB CYS 33 -2.018 2.608 4.661 173 H LYS 34 H LYS 34 1.549 1.182 4.005 174 HA LYS 34 HA LYS 34 -0.312 0.240 2.041 175 2HB LYS 34 2HB LYS 34 2.666 0.794 1.973 176 2HG LYS 34 2HG LYS 34 0.709 -0.094 -0.189 177 2HD LYS 34 2HD LYS 34 2.951 0.344 -1.600 178 2HE LYS 34 2HE LYS 34 2.032 2.750 -2.027 179 1HZ LYS 34 1HZ LYS 34 0.282 0.361 -2.255 180 2HZ LYS 34 2HZ LYS 34 -0.014 1.768 -3.019 181 H THR 35 H THR 35 2.899 -1.112 3.123 182 HA THR 35 HA THR 35 2.488 -3.407 1.610 183 HB THR 35 HB THR 35 4.331 -2.735 3.958 184 HG1 THR 35 HG1 THR 35 4.726 -1.508 2.056 185 1HG2 THR 35 1HG2 THR 35 5.783 -4.563 3.012 186 2HG2 THR 35 2HG2 THR 35 4.272 -5.206 3.700 187 3HG2 THR 35 3HG2 THR 35 4.446 -5.035 1.936 188 H SER 36 H SER 36 1.469 -2.601 4.904 189 HA SER 36 HA SER 36 1.289 -4.989 6.066 190 2HB SER 36 2HB SER 36 -0.816 -4.086 7.199 191 HG SER 36 HG SER 36 0.928 -1.869 7.120 192 H MET 37 H MET 37 -1.322 -3.526 3.983 193 HA MET 37 HA MET 37 -2.545 -6.154 3.899 194 2HB MET 37 2HB MET 37 -4.530 -4.867 3.024 195 2HG MET 37 2HG MET 37 -4.895 -3.388 5.036 196 1HE MET 37 1HE MET 37 -4.941 -5.861 8.116 197 2HE MET 37 2HE MET 37 -3.724 -4.597 7.814 198 3HE MET 37 3HE MET 37 -5.446 -4.268 7.502 199 H VAL 38 H VAL 38 -0.790 -3.813 1.938 200 HA VAL 38 HA VAL 38 -1.876 -4.683 -0.554 201 HB VAL 38 HB VAL 38 0.400 -2.896 0.288 202 1HG1 VAL 38 1HG1 VAL 38 -0.361 -3.832 -2.478 203 2HG1 VAL 38 2HG1 VAL 38 0.387 -2.239 -2.217 204 3HG1 VAL 38 3HG1 VAL 38 1.251 -3.717 -1.732 205 1HG2 VAL 38 1HG2 VAL 38 -1.754 -1.911 0.647 206 2HG2 VAL 38 2HG2 VAL 38 -1.063 -1.164 -0.815 207 3HG2 VAL 38 3HG2 VAL 38 -2.321 -2.415 -0.963 208 H GLU 39 H GLU 39 0.361 -6.051 1.674 209 HA GLU 39 HA GLU 39 1.924 -7.638 0.251 210 2HB GLU 39 2HB GLU 39 0.582 -9.523 1.773 211 2HG GLU 39 2HG GLU 39 2.198 -8.882 3.588 212 HE2 GLU 39 HE2 GLU 39 4.034 -7.501 1.322 213 H ARG 40 H ARG 40 -1.691 -7.815 0.329 214 HA ARG 40 HA ARG 40 -1.558 -10.159 -1.320 215 2HB ARG 40 2HB ARG 40 -3.147 -9.920 0.663 216 2HG ARG 40 2HG ARG 40 -3.773 -7.468 -0.487 217 2HD ARG 40 2HD ARG 40 -5.114 -8.665 -2.260 218 HE ARG 40 HE ARG 40 -6.222 -10.057 0.045 219 1HH1 ARG 40 1HH1 ARG 40 -7.101 -8.823 -3.157 220 2HH1 ARG 40 2HH1 ARG 40 -8.261 -10.074 -3.458 221 2HH2 ARG 40 2HH2 ARG 40 -8.681 -11.715 -1.762 222 H CYS 41 H CYS 41 -1.930 -6.717 -1.622 223 HA CYS 41 HA CYS 41 -3.226 -6.971 -4.211 224 2HB CYS 41 2HB CYS 41 -3.448 -4.592 -4.186 225 H GLN 42 H GLN 42 -0.254 -7.605 -3.075 226 HA GLN 42 HA GLN 42 1.488 -5.837 -4.182 227 2HB GLN 42 2HB GLN 42 1.717 -8.842 -3.749 228 2HG GLN 42 2HG GLN 42 4.287 -7.912 -3.638 229 1HE2 GLN 42 1HE2 GLN 42 3.468 -10.275 -3.878 230 2HE2 GLN 42 2HE2 GLN 42 3.720 -10.980 -5.440 231 H ASN 43 H ASN 43 -0.457 -8.368 -5.742 232 HA ASN 43 HA ASN 43 1.235 -8.829 -7.882 233 2HB ASN 43 2HB ASN 43 -1.273 -9.395 -8.904 234 1HD2 ASN 43 1HD2 ASN 43 0.309 -10.445 -5.884 235 H GLN 44 H GLN 44 -1.238 -6.362 -7.167 236 HA GLN 44 HA GLN 44 -1.062 -5.308 -9.839 237 2HB GLN 44 2HB GLN 44 -2.474 -4.175 -7.383 238 2HG GLN 44 2HG GLN 44 -2.629 -3.583 -10.370 239 1HE2 GLN 44 1HE2 GLN 44 -4.795 -4.651 -10.159 240 2HE2 GLN 44 2HE2 GLN 44 -6.137 -3.691 -9.631 241 H GLU 45 H GLU 45 -0.044 -4.507 -6.468 242 HA GLU 45 HA GLU 45 1.031 -2.020 -7.185 243 2HB GLU 45 2HB GLU 45 2.060 -3.517 -4.787 244 2HG GLU 45 2HG GLU 45 0.796 -1.010 -4.205 245 HE2 GLU 45 HE2 GLU 45 3.679 -1.684 -2.274 246 H PHE 46 H PHE 46 3.549 -1.653 -6.440 247 HA PHE 46 HA PHE 46 5.093 -3.736 -7.817 248 2HB PHE 46 2HB PHE 46 5.291 -1.586 -8.940 249 HD1 PHE 46 HD1 PHE 46 3.552 0.003 -8.311 250 HD2 PHE 46 HD2 PHE 46 7.119 -0.334 -6.037 251 HE1 PHE 46 HE1 PHE 46 3.043 2.189 -7.188 252 HE2 PHE 46 HE2 PHE 46 6.609 1.852 -4.914 253 HZ PHE 46 HZ PHE 46 4.578 3.088 -5.503 254 H GLU 47 H GLU 47 4.340 -4.201 -5.120 255 HA GLU 47 HA GLU 47 5.872 -2.790 -3.297 256 2HB GLU 47 2HB GLU 47 4.612 -5.551 -2.985 257 2HG GLU 47 2HG GLU 47 6.051 -5.098 -1.088 258 HE2 GLU 47 HE2 GLU 47 7.387 -3.448 -1.146 259 H SER 48 H SER 48 6.514 -5.709 -5.219 260 HA SER 48 HA SER 48 8.317 -6.872 -5.546 261 2HB SER 48 2HB SER 48 10.515 -5.756 -5.370 262 HG SER 48 HG SER 48 8.535 -3.763 -6.061 263 H ALA 49 H ALA 49 7.031 -7.802 -3.375 264 HA ALA 49 HA ALA 49 9.230 -8.665 -1.692 265 1HB ALA 49 1HB ALA 49 8.322 -6.680 -0.530 266 2HB ALA 49 2HB ALA 49 6.695 -7.400 -0.572 267 3HB ALA 49 3HB ALA 49 7.986 -8.173 0.379 268 H ALA 50 H ALA 50 8.888 -10.761 -0.831 269 HA ALA 50 HA ALA 50 6.717 -12.191 -2.112 270 1HB ALA 50 1HB ALA 50 9.027 -13.071 -2.173 271 2HB ALA 50 2HB ALA 50 9.049 -13.131 -0.393 272 3HB ALA 50 3HB ALA 50 7.935 -14.179 -1.306 273 H GLY 51 H GLY 51 5.421 -13.783 -0.784 274 1HA GLY 51 1HA GLY 51 4.826 -14.230 1.616 275 2HA GLY 51 2HA GLY 51 4.696 -12.490 1.775 276 H SER 52 H SER 52 3.690 -12.368 -1.165 277 HA SER 52 HA SER 52 1.009 -12.272 -0.575 278 2HB SER 52 2HB SER 52 0.672 -11.871 -2.929 279 HG SER 52 HG SER 52 2.018 -10.253 -1.881 280 H THR 53 H THR 53 -0.243 -14.008 0.035 281 HA THR 53 HA THR 53 -0.020 -16.448 -1.582 282 HB THR 53 HB THR 53 -0.178 -16.356 1.475 283 HG1 THR 53 HG1 THR 53 1.919 -15.691 0.871 284 1HG2 THR 53 1HG2 THR 53 -1.007 -18.483 0.480 285 2HG2 THR 53 2HG2 THR 53 0.451 -18.581 -0.537 286 3HG2 THR 53 3HG2 THR 53 0.586 -18.737 1.231 287 H THR 54 H THR 54 -1.937 -17.741 -1.676 288 HA THR 54 HA THR 54 -4.138 -18.009 -1.873 289 HB THR 54 HB THR 54 -4.242 -16.479 0.777 290 HG1 THR 54 HG1 THR 54 -3.716 -19.265 0.012 291 1HG2 THR 54 1HG2 THR 54 -6.052 -18.144 1.269 292 2HG2 THR 54 2HG2 THR 54 -6.480 -17.116 -0.118 293 3HG2 THR 54 3HG2 THR 54 -5.902 -18.777 -0.388 294 H LEU 55 H LEU 55 -3.984 -16.584 -3.793 295 HA LEU 55 HA LEU 55 -5.628 -14.216 -3.401 296 2HB LEU 55 2HB LEU 55 -2.885 -14.149 -4.667 297 HG LEU 55 HG LEU 55 -4.598 -12.596 -5.730 298 1HD1 LEU 55 1HD1 LEU 55 -5.948 -12.013 -3.846 299 2HD1 LEU 55 2HD1 LEU 55 -4.540 -11.389 -2.955 300 3HD1 LEU 55 3HD1 LEU 55 -5.122 -10.537 -4.405 301 1HD2 LEU 55 1HD2 LEU 55 -3.072 -10.643 -5.659 302 2HD2 LEU 55 2HD2 LEU 55 -2.174 -11.428 -4.337 303 3HD2 LEU 55 3HD2 LEU 55 -2.231 -12.185 -5.947 304 H GLY 56 H GLY 56 -6.918 -13.728 -5.203 305 1HA GLY 56 1HA GLY 56 -6.302 -15.214 -7.680 306 2HA GLY 56 2HA GLY 56 -7.931 -15.159 -7.034 307 HA PRO 57 HA PRO 57 -7.503 -11.449 -9.648 308 2HB PRO 57 2HB PRO 57 -7.641 -12.331 -11.770 309 2HG PRO 57 2HG PRO 57 -8.118 -14.587 -11.847 310 2HD PRO 57 2HD PRO 57 -7.359 -15.234 -9.776 311 H GLN 58 H GLN 58 -10.152 -13.283 -8.348 312 HA GLN 58 HA GLN 58 -12.343 -12.729 -8.622 313 2HB GLN 58 2HB GLN 58 -11.864 -12.636 -6.264 314 2HG GLN 58 2HG GLN 58 -11.272 -10.259 -5.308 315 1HE2 GLN 58 1HE2 GLN 58 -8.663 -9.623 -5.815 316 2HE2 GLN 58 2HE2 GLN 58 -7.603 -10.991 -5.743 Start of MODEL 16 1 1H ASP 1 1H ASP 1 -8.356 -2.757 -11.425 2 HA ASP 1 HA ASP 1 -6.648 -4.234 -11.133 3 2HB ASP 1 2HB ASP 1 -7.895 -3.591 -8.987 4 HD2 ASP 1 HD2 ASP 1 -9.526 -7.125 -8.183 5 H GLN 2 H GLN 2 -6.037 -6.663 -10.618 6 HA GLN 2 HA GLN 2 -8.182 -8.491 -11.263 7 2HB GLN 2 2HB GLN 2 -7.109 -8.385 -13.394 8 2HG GLN 2 2HG GLN 2 -4.511 -8.494 -11.802 9 1HE2 GLN 2 1HE2 GLN 2 -4.069 -10.590 -12.740 10 2HE2 GLN 2 2HE2 GLN 2 -3.452 -10.708 -14.354 11 H ASN 3 H ASN 3 -7.531 -8.013 -8.702 12 HA ASN 3 HA ASN 3 -6.408 -10.462 -7.883 13 2HB ASN 3 2HB ASN 3 -4.899 -7.994 -6.918 14 1HD2 ASN 3 1HD2 ASN 3 -4.832 -9.005 -4.899 15 H CYS 4 H CYS 4 -7.089 -6.998 -7.001 16 HA CYS 4 HA CYS 4 -8.651 -7.907 -4.739 17 2HB CYS 4 2HB CYS 4 -6.774 -7.749 -3.468 18 H ASP 5 H ASP 5 -7.070 -4.841 -6.003 19 HA ASP 5 HA ASP 5 -9.373 -3.452 -6.475 20 2HB ASP 5 2HB ASP 5 -8.678 -2.434 -3.821 21 HD2 ASP 5 HD2 ASP 5 -11.039 -4.600 -4.870 22 H ILE 6 H ILE 6 -6.196 -3.528 -4.760 23 HA ILE 6 HA ILE 6 -4.649 -1.933 -4.451 24 HB ILE 6 HB ILE 6 -3.852 -2.944 -6.406 25 1HG2 ILE 6 1HG2 ILE 6 -5.902 -3.046 -7.692 26 2HG2 ILE 6 2HG2 ILE 6 -5.852 -1.289 -7.970 27 3HG2 ILE 6 3HG2 ILE 6 -4.601 -2.338 -8.677 28 1HD1 ILE 6 1HD1 ILE 6 -2.536 -1.521 -8.626 29 2HD1 ILE 6 2HD1 ILE 6 -1.393 -0.629 -7.593 30 3HD1 ILE 6 3HD1 ILE 6 -1.799 -2.322 -7.218 31 H GLY 7 H GLY 7 -5.888 -0.417 -3.198 32 1HA GLY 7 1HA GLY 7 -5.881 2.174 -3.784 33 2HA GLY 7 2HA GLY 7 -7.325 1.666 -4.639 34 H ASN 8 H ASN 8 -7.744 -0.587 -2.542 35 HA ASN 8 HA ASN 8 -9.793 0.899 -1.422 36 2HB ASN 8 2HB ASN 8 -10.054 -1.502 -1.831 37 1HD2 ASN 8 1HD2 ASN 8 -9.067 -2.335 1.262 38 H ILE 9 H ILE 9 -6.521 0.001 -0.352 39 HA ILE 9 HA ILE 9 -7.176 0.521 2.434 40 HB ILE 9 HB ILE 9 -5.988 -1.441 2.250 41 1HG2 ILE 9 1HG2 ILE 9 -3.778 -1.493 0.880 42 2HG2 ILE 9 2HG2 ILE 9 -5.341 -1.625 0.037 43 3HG2 ILE 9 3HG2 ILE 9 -4.465 -0.076 0.050 44 1HD1 ILE 9 1HD1 ILE 9 -2.442 -0.205 2.257 45 2HD1 ILE 9 2HD1 ILE 9 -3.497 1.046 1.555 46 3HD1 ILE 9 3HD1 ILE 9 -2.861 1.242 3.206 47 H THR 10 H THR 10 -5.355 1.846 -0.338 48 HA THR 10 HA THR 10 -3.796 3.616 1.263 49 HB THR 10 HB THR 10 -3.324 4.547 -1.127 50 HG1 THR 10 HG1 THR 10 -5.349 3.766 -2.031 51 1HG2 THR 10 1HG2 THR 10 -1.963 2.659 -0.023 52 2HG2 THR 10 2HG2 THR 10 -3.042 1.513 -0.856 53 3HG2 THR 10 3HG2 THR 10 -2.010 2.614 -1.801 54 H SER 11 H SER 11 -6.986 3.773 -0.290 55 HA SER 11 HA SER 11 -7.134 6.360 -0.928 56 2HB SER 11 2HB SER 11 -9.284 4.603 0.327 57 HG SER 11 HG SER 11 -10.213 6.615 0.401 58 H GLN 12 H GLN 12 -7.650 4.899 2.338 59 HA GLN 12 HA GLN 12 -8.474 7.317 3.493 60 2HB GLN 12 2HB GLN 12 -7.317 4.857 4.875 61 2HG GLN 12 2HG GLN 12 -9.130 7.139 5.774 62 1HE2 GLN 12 1HE2 GLN 12 -9.498 6.953 8.184 63 2HE2 GLN 12 2HE2 GLN 12 -10.075 5.435 8.785 64 H CYS 13 H CYS 13 -5.327 5.724 2.972 65 HA CYS 13 HA CYS 13 -3.999 7.208 4.991 66 2HB CYS 13 2HB CYS 13 -2.009 6.138 4.252 67 H GLN 14 H GLN 14 -4.788 7.583 1.550 68 HA GLN 14 HA GLN 14 -2.746 9.350 0.901 69 2HB GLN 14 2HB GLN 14 -4.193 9.912 -1.065 70 2HG GLN 14 2HG GLN 14 -3.968 7.818 -2.072 71 1HE2 GLN 14 1HE2 GLN 14 -1.840 8.758 -1.966 72 2HE2 GLN 14 2HE2 GLN 14 -0.608 8.097 -0.943 73 H MET 15 H MET 15 -5.990 9.788 2.353 74 HA MET 15 HA MET 15 -5.876 12.617 1.977 75 2HB MET 15 2HB MET 15 -8.072 12.500 3.277 76 2HG MET 15 2HG MET 15 -7.886 10.367 1.097 77 1HE MET 15 1HE MET 15 -11.319 9.463 2.404 78 2HE MET 15 2HE MET 15 -9.813 8.927 1.619 79 3HE MET 15 3HE MET 15 -9.769 9.596 3.268 80 H GLN 16 H GLN 16 -4.527 10.418 4.215 81 HA GLN 16 HA GLN 16 -5.327 11.763 6.574 82 2HB GLN 16 2HB GLN 16 -3.255 9.573 6.103 83 2HG GLN 16 2HG GLN 16 -2.883 10.783 8.256 84 1HE2 GLN 16 1HE2 GLN 16 -4.145 12.508 8.781 85 2HE2 GLN 16 2HE2 GLN 16 -5.587 12.388 9.733 86 H HIS 17 H HIS 17 -2.320 11.570 4.576 87 HA HIS 17 HA HIS 17 -1.198 13.853 5.805 88 2HB HIS 17 2HB HIS 17 -0.744 12.618 7.722 89 HD1 HIS 17 HD1 HIS 17 -0.170 10.409 8.987 90 HD2 HIS 17 HD2 HIS 17 -0.464 9.989 4.823 91 HE1 HIS 17 HE1 HIS 17 -0.254 7.901 8.526 92 H LYS 18 H LYS 18 -1.774 13.138 3.138 93 HA LYS 18 HA LYS 18 0.849 12.383 2.075 94 2HB LYS 18 2HB LYS 18 -1.254 11.179 0.517 95 2HG LYS 18 2HG LYS 18 0.082 9.091 1.236 96 2HD LYS 18 2HD LYS 18 1.542 11.489 0.031 97 2HE LYS 18 2HE LYS 18 2.493 8.811 0.718 98 1HZ LYS 18 1HZ LYS 18 3.416 8.347 -1.501 99 2HZ LYS 18 2HZ LYS 18 1.790 8.266 -1.540 100 H ASN 19 H ASN 19 1.316 14.460 1.330 101 HA ASN 19 HA ASN 19 -0.674 16.143 0.388 102 2HB ASN 19 2HB ASN 19 2.290 16.327 -0.335 103 1HD2 ASN 19 1HD2 ASN 19 1.669 17.576 -2.109 104 H CYS 20 H CYS 20 1.517 13.759 -1.127 105 HA CYS 20 HA CYS 20 1.174 14.709 -3.771 106 2HB CYS 20 2HB CYS 20 2.280 12.634 -4.435 107 H GLU 21 H GLU 21 -0.359 12.251 -1.633 108 HA GLU 21 HA GLU 21 -2.321 11.323 -1.693 109 2HB GLU 21 2HB GLU 21 -3.224 13.039 -4.019 110 2HG GLU 21 2HG GLU 21 -4.538 12.212 -1.388 111 HE2 GLU 21 HE2 GLU 21 -6.820 12.189 -1.960 112 H ASP 22 H ASP 22 -0.224 10.075 -3.135 113 HA ASP 22 HA ASP 22 -1.936 8.501 -4.837 114 2HB ASP 22 2HB ASP 22 -0.545 8.527 -6.724 115 HD2 ASP 22 HD2 ASP 22 -2.190 10.365 -6.345 116 H ALA 23 H ALA 23 -0.947 6.220 -5.117 117 HA ALA 23 HA ALA 23 1.270 5.684 -3.306 118 1HB ALA 23 1HB ALA 23 0.861 3.345 -3.908 119 2HB ALA 23 2HB ALA 23 -0.669 4.127 -3.440 120 3HB ALA 23 3HB ALA 23 -0.301 3.847 -5.159 121 H ASN 24 H ASN 24 2.973 4.063 -4.450 122 HA ASN 24 HA ASN 24 4.476 3.679 -5.966 123 2HB ASN 24 2HB ASN 24 3.907 3.686 -8.272 124 1HD2 ASN 24 1HD2 ASN 24 0.867 5.063 -7.999 125 H GLY 25 H GLY 25 4.086 6.394 -4.509 126 1HA GLY 25 1HA GLY 25 6.423 7.632 -5.526 127 2HA GLY 25 2HA GLY 25 5.003 8.528 -6.030 128 H CYS 26 H CYS 26 6.986 9.588 -4.251 129 HA CYS 26 HA CYS 26 7.313 10.459 -2.256 130 2HB CYS 26 2HB CYS 26 5.431 11.564 -1.196 131 H ASP 27 H ASP 27 7.557 7.661 -2.194 132 HA ASP 27 HA ASP 27 5.410 6.541 -0.714 133 2HB ASP 27 2HB ASP 27 8.045 5.299 -1.639 134 HD2 ASP 27 HD2 ASP 27 7.988 3.971 0.123 135 H THR 28 H THR 28 5.951 7.980 1.268 136 HA THR 28 HA THR 28 8.134 6.769 2.834 137 HB THR 28 HB THR 28 7.096 9.636 2.635 138 HG1 THR 28 HG1 THR 28 9.287 9.869 1.928 139 1HG2 THR 28 1HG2 THR 28 7.525 9.152 5.042 140 2HG2 THR 28 2HG2 THR 28 9.089 8.417 4.618 141 3HG2 THR 28 3HG2 THR 28 8.830 10.161 4.373 142 H ILE 29 H ILE 29 4.980 8.542 3.196 143 HA ILE 29 HA ILE 29 4.798 7.368 5.844 144 HB ILE 29 HB ILE 29 4.495 9.832 5.305 145 1HG2 ILE 29 1HG2 ILE 29 2.306 10.564 4.557 146 2HG2 ILE 29 2HG2 ILE 29 3.069 9.536 3.319 147 3HG2 ILE 29 3HG2 ILE 29 1.782 8.875 4.356 148 1HD1 ILE 29 1HD1 ILE 29 4.883 10.096 7.546 149 2HD1 ILE 29 2HD1 ILE 29 3.841 9.357 8.786 150 3HD1 ILE 29 3HD1 ILE 29 4.877 8.330 7.766 151 H ILE 30 H ILE 30 3.311 7.218 2.611 152 HA ILE 30 HA ILE 30 1.155 5.567 3.366 153 HB ILE 30 HB ILE 30 1.445 6.880 1.240 154 1HG2 ILE 30 1HG2 ILE 30 3.016 4.500 0.251 155 2HG2 ILE 30 2HG2 ILE 30 2.715 6.056 -0.559 156 3HG2 ILE 30 3HG2 ILE 30 3.800 5.981 0.850 157 1HD1 ILE 30 1HD1 ILE 30 -0.771 4.787 -0.827 158 2HD1 ILE 30 2HD1 ILE 30 0.394 6.129 -0.929 159 3HD1 ILE 30 3HD1 ILE 30 0.954 4.448 -1.105 160 H GLU 31 H GLU 31 4.614 5.062 3.166 161 HA GLU 31 HA GLU 31 4.660 2.664 1.868 162 2HB GLU 31 2HB GLU 31 6.577 3.645 4.029 163 2HG GLU 31 2HG GLU 31 6.873 1.641 1.745 164 HE2 GLU 31 HE2 GLU 31 10.009 3.356 1.693 165 H GLU 32 H GLU 32 4.373 3.361 5.400 166 HA GLU 32 HA GLU 32 4.413 0.603 6.052 167 2HB GLU 32 2HB GLU 32 3.645 3.056 7.695 168 2HG GLU 32 2HG GLU 32 2.699 0.998 8.690 169 HE2 GLU 32 HE2 GLU 32 2.921 -0.806 7.678 170 H CYS 33 H CYS 33 1.951 3.093 5.370 171 HA CYS 33 HA CYS 33 -0.234 1.654 6.383 172 2HB CYS 33 2HB CYS 33 -0.509 3.549 4.082 173 H LYS 34 H LYS 34 1.775 1.414 3.487 174 HA LYS 34 HA LYS 34 -0.376 0.589 1.791 175 2HB LYS 34 2HB LYS 34 2.613 0.662 1.285 176 2HG LYS 34 2HG LYS 34 0.230 0.675 -0.626 177 2HD LYS 34 2HD LYS 34 2.564 1.867 -1.149 178 2HE LYS 34 2HE LYS 34 3.132 -1.058 -1.823 179 1HZ LYS 34 1HZ LYS 34 5.328 -0.039 -2.381 180 2HZ LYS 34 2HZ LYS 34 4.141 0.455 -3.379 181 H THR 35 H THR 35 2.716 -1.022 2.872 182 HA THR 35 HA THR 35 2.073 -3.360 1.469 183 HB THR 35 HB THR 35 4.063 -2.651 3.677 184 HG1 THR 35 HG1 THR 35 4.281 -1.714 1.510 185 1HG2 THR 35 1HG2 THR 35 3.791 -5.106 3.748 186 2HG2 THR 35 2HG2 THR 35 3.836 -5.186 1.970 187 3HG2 THR 35 3HG2 THR 35 5.294 -4.716 2.878 188 H SER 36 H SER 36 1.018 -2.174 4.579 189 HA SER 36 HA SER 36 0.461 -4.281 6.042 190 2HB SER 36 2HB SER 36 -0.355 -1.936 6.428 191 HG SER 36 HG SER 36 -1.433 -1.406 4.520 192 H MET 37 H MET 37 -1.952 -3.192 3.535 193 HA MET 37 HA MET 37 -2.978 -5.889 3.534 194 2HB MET 37 2HB MET 37 -4.799 -4.755 2.091 195 2HG MET 37 2HG MET 37 -5.638 -3.276 4.014 196 1HE MET 37 1HE MET 37 -4.736 -4.939 6.858 197 2HE MET 37 2HE MET 37 -4.848 -6.705 6.674 198 3HE MET 37 3HE MET 37 -3.494 -5.817 5.934 199 H VAL 38 H VAL 38 -0.857 -3.855 1.675 200 HA VAL 38 HA VAL 38 -1.808 -4.741 -0.884 201 HB VAL 38 HB VAL 38 0.415 -2.939 0.069 202 1HG1 VAL 38 1HG1 VAL 38 -0.240 -3.830 -2.750 203 2HG1 VAL 38 2HG1 VAL 38 0.636 -2.321 -2.394 204 3HG1 VAL 38 3HG1 VAL 38 1.326 -3.888 -1.905 205 1HG2 VAL 38 1HG2 VAL 38 -0.968 -1.212 -1.112 206 2HG2 VAL 38 2HG2 VAL 38 -2.215 -2.456 -1.365 207 3HG2 VAL 38 3HG2 VAL 38 -1.773 -1.962 0.287 208 H GLU 39 H GLU 39 0.158 -6.074 1.539 209 HA GLU 39 HA GLU 39 2.196 -7.227 0.128 210 2HB GLU 39 2HB GLU 39 0.660 -8.703 2.291 211 2HG GLU 39 2HG GLU 39 2.808 -9.605 1.112 212 HE2 GLU 39 HE2 GLU 39 5.268 -7.120 0.984 213 H ARG 40 H ARG 40 -1.274 -8.074 0.308 214 HA ARG 40 HA ARG 40 -0.795 -10.503 -1.134 215 2HB ARG 40 2HB ARG 40 -2.543 -10.293 0.703 216 2HG ARG 40 2HG ARG 40 -3.306 -7.998 -0.730 217 2HD ARG 40 2HD ARG 40 -4.534 -9.529 -2.331 218 HE ARG 40 HE ARG 40 -5.540 -10.681 0.142 219 1HH1 ARG 40 1HH1 ARG 40 -6.438 -9.998 -3.216 220 2HH1 ARG 40 2HH1 ARG 40 -7.592 -11.287 -3.301 221 2HH2 ARG 40 2HH2 ARG 40 -7.936 -12.682 -1.382 222 H CYS 41 H CYS 41 -1.339 -7.164 -1.796 223 HA CYS 41 HA CYS 41 -2.339 -7.785 -4.465 224 2HB CYS 41 2HB CYS 41 -2.702 -5.377 -4.695 225 H GLN 42 H GLN 42 0.445 -8.332 -3.261 226 HA GLN 42 HA GLN 42 2.201 -6.333 -3.859 227 2HB GLN 42 2HB GLN 42 2.626 -9.353 -3.869 228 2HG GLN 42 2HG GLN 42 4.543 -7.011 -4.007 229 1HE2 GLN 42 1HE2 GLN 42 4.574 -7.385 -1.532 230 2HE2 GLN 42 2HE2 GLN 42 5.718 -8.531 -0.916 231 H ASN 43 H ASN 43 0.749 -8.827 -5.963 232 HA ASN 43 HA ASN 43 2.420 -8.610 -8.114 233 2HB ASN 43 2HB ASN 43 -0.617 -8.998 -8.029 234 1HD2 ASN 43 1HD2 ASN 43 2.012 -10.564 -9.785 235 H GLN 44 H GLN 44 -0.466 -6.631 -7.118 236 HA GLN 44 HA GLN 44 -0.629 -5.511 -9.721 237 2HB GLN 44 2HB GLN 44 -2.554 -4.203 -8.661 238 2HG GLN 44 2HG GLN 44 -3.856 -6.397 -8.086 239 1HE2 GLN 44 1HE2 GLN 44 -1.695 -7.344 -10.606 240 2HE2 GLN 44 2HE2 GLN 44 -2.560 -6.725 -11.974 241 H GLU 45 H GLU 45 0.226 -4.340 -6.406 242 HA GLU 45 HA GLU 45 0.813 -1.747 -7.502 243 2HB GLU 45 2HB GLU 45 1.186 -2.692 -4.631 244 2HG GLU 45 2HG GLU 45 1.451 -0.141 -6.062 245 HE2 GLU 45 HE2 GLU 45 -1.173 0.437 -3.058 246 H PHE 46 H PHE 46 2.388 -4.407 -8.001 247 HA PHE 46 HA PHE 46 4.455 -5.255 -7.718 248 2HB PHE 46 2HB PHE 46 4.825 -3.980 -9.700 249 HD1 PHE 46 HD1 PHE 46 6.070 -1.126 -7.824 250 HD2 PHE 46 HD2 PHE 46 2.821 -2.609 -10.116 251 HE1 PHE 46 HE1 PHE 46 5.198 1.210 -8.099 252 HE2 PHE 46 HE2 PHE 46 1.948 -0.271 -10.391 253 HZ PHE 46 HZ PHE 46 3.148 1.610 -9.380 254 H GLU 47 H GLU 47 3.832 -4.829 -5.164 255 HA GLU 47 HA GLU 47 5.260 -2.804 -3.896 256 2HB GLU 47 2HB GLU 47 4.475 -5.426 -2.582 257 2HG GLU 47 2HG GLU 47 3.660 -3.498 -0.902 258 HE2 GLU 47 HE2 GLU 47 7.385 -3.970 0.089 259 H SER 48 H SER 48 6.188 -5.923 -5.186 260 HA SER 48 HA SER 48 8.332 -6.420 -3.474 261 2HB SER 48 2HB SER 48 7.940 -7.281 -6.375 262 HG SER 48 HG SER 48 9.379 -8.613 -4.248 263 H ALA 49 H ALA 49 7.855 -4.296 -6.266 264 HA ALA 49 HA ALA 49 10.692 -3.677 -6.374 265 1HB ALA 49 1HB ALA 49 8.296 -2.521 -7.859 266 2HB ALA 49 2HB ALA 49 10.008 -2.184 -8.210 267 3HB ALA 49 3HB ALA 49 9.357 -3.821 -8.454 268 H ALA 50 H ALA 50 7.528 -2.093 -5.560 269 HA ALA 50 HA ALA 50 8.952 0.231 -4.603 270 1HB ALA 50 1HB ALA 50 6.637 1.095 -4.253 271 2HB ALA 50 2HB ALA 50 6.906 0.510 -5.912 272 3HB ALA 50 3HB ALA 50 5.997 -0.488 -4.754 273 H GLY 51 H GLY 51 10.158 -1.016 -2.911 274 1HA GLY 51 1HA GLY 51 10.292 -0.712 -0.583 275 2HA GLY 51 2HA GLY 51 8.558 -0.921 -0.445 276 H SER 52 H SER 52 10.239 -3.111 -2.634 277 HA SER 52 HA SER 52 11.038 -5.122 -2.474 278 2HB SER 52 2HB SER 52 12.509 -4.099 -0.707 279 HG SER 52 HG SER 52 10.763 -5.432 1.170 280 H THR 53 H THR 53 10.589 -7.408 -1.542 281 HA THR 53 HA THR 53 7.820 -7.765 -1.644 282 HB THR 53 HB THR 53 10.266 -9.471 -1.090 283 HG1 THR 53 HG1 THR 53 7.998 -9.651 -2.932 284 1HG2 THR 53 1HG2 THR 53 7.331 -10.320 -0.900 285 2HG2 THR 53 2HG2 THR 53 8.656 -11.460 -1.235 286 3HG2 THR 53 3HG2 THR 53 8.605 -10.586 0.314 287 H THR 54 H THR 54 10.073 -8.214 1.178 288 HA THR 54 HA THR 54 9.785 -7.627 3.303 289 HB THR 54 HB THR 54 7.292 -6.143 2.323 290 HG1 THR 54 HG1 THR 54 8.836 -4.585 1.687 291 1HG2 THR 54 1HG2 THR 54 9.245 -5.724 4.646 292 2HG2 THR 54 2HG2 THR 54 8.059 -4.508 4.114 293 3HG2 THR 54 3HG2 THR 54 7.503 -6.065 4.774 294 H LEU 55 H LEU 55 8.540 -8.124 5.274 295 HA LEU 55 HA LEU 55 6.138 -9.713 4.710 296 2HB LEU 55 2HB LEU 55 6.750 -10.994 6.809 297 HG LEU 55 HG LEU 55 8.491 -11.275 4.351 298 1HD1 LEU 55 1HD1 LEU 55 8.316 -13.138 6.736 299 2HD1 LEU 55 2HD1 LEU 55 9.139 -13.490 5.198 300 3HD1 LEU 55 3HD1 LEU 55 9.729 -12.174 6.242 301 1HD2 LEU 55 1HD2 LEU 55 7.039 -13.305 4.010 302 2HD2 LEU 55 2HD2 LEU 55 6.011 -12.704 5.332 303 3HD2 LEU 55 3HD2 LEU 55 6.213 -11.736 3.851 304 H GLY 56 H GLY 56 4.765 -7.912 4.986 305 1HA GLY 56 1HA GLY 56 4.988 -6.264 7.339 306 2HA GLY 56 2HA GLY 56 3.749 -6.210 6.101 307 HA PRO 57 HA PRO 57 0.933 -8.081 8.533 308 2HB PRO 57 2HB PRO 57 -0.658 -8.030 6.869 309 2HG PRO 57 2HG PRO 57 0.180 -8.227 4.729 310 2HD PRO 57 2HD PRO 57 2.327 -7.476 5.060 311 H GLN 58 H GLN 58 2.579 -9.065 9.964 312 HA GLN 58 HA GLN 58 2.410 -11.915 9.921 313 2HB GLN 58 2HB GLN 58 3.397 -11.481 12.353 314 2HG GLN 58 2HG GLN 58 4.643 -12.331 10.303 315 1HE2 GLN 58 1HE2 GLN 58 6.021 -9.157 10.938 316 2HE2 GLN 58 2HE2 GLN 58 6.064 -8.584 9.304 Start of MODEL 17 1 1H ASP 1 1H ASP 1 -2.156 -4.572 -12.630 2 HA ASP 1 HA ASP 1 -2.721 -5.818 -14.360 3 2HB ASP 1 2HB ASP 1 -2.207 -8.128 -14.000 4 HD2 ASP 1 HD2 ASP 1 0.059 -7.030 -10.914 5 H GLN 2 H GLN 2 -5.062 -4.936 -12.399 6 HA GLN 2 HA GLN 2 -7.206 -5.200 -12.179 7 2HB GLN 2 2HB GLN 2 -7.140 -6.742 -14.808 8 2HG GLN 2 2HG GLN 2 -9.250 -4.960 -13.500 9 1HE2 GLN 2 1HE2 GLN 2 -9.091 -3.708 -15.483 10 2HE2 GLN 2 2HE2 GLN 2 -9.900 -4.250 -16.916 11 H ASN 3 H ASN 3 -6.928 -6.573 -10.290 12 HA ASN 3 HA ASN 3 -8.055 -9.168 -10.748 13 2HB ASN 3 2HB ASN 3 -5.417 -8.864 -9.217 14 1HD2 ASN 3 1HD2 ASN 3 -6.048 -10.095 -7.506 15 H CYS 4 H CYS 4 -6.334 -7.043 -8.329 16 HA CYS 4 HA CYS 4 -8.765 -7.174 -6.710 17 2HB CYS 4 2HB CYS 4 -6.067 -7.985 -5.952 18 H ASP 5 H ASP 5 -9.192 -5.159 -5.534 19 HA ASP 5 HA ASP 5 -8.161 -2.892 -6.882 20 2HB ASP 5 2HB ASP 5 -9.606 -1.630 -5.258 21 HD2 ASP 5 HD2 ASP 5 -12.124 -2.278 -7.504 22 H ILE 6 H ILE 6 -6.031 -2.289 -6.375 23 HA ILE 6 HA ILE 6 -4.742 -2.761 -3.976 24 HB ILE 6 HB ILE 6 -3.708 -2.142 -6.136 25 1HG2 ILE 6 1HG2 ILE 6 -3.630 0.081 -6.935 26 2HG2 ILE 6 2HG2 ILE 6 -5.343 -0.260 -6.595 27 3HG2 ILE 6 3HG2 ILE 6 -4.389 0.724 -5.460 28 1HD1 ILE 6 1HD1 ILE 6 -1.436 -1.380 -6.264 29 2HD1 ILE 6 2HD1 ILE 6 -1.681 0.301 -5.733 30 3HD1 ILE 6 3HD1 ILE 6 -0.604 -0.776 -4.811 31 H GLY 7 H GLY 7 -7.084 -0.257 -4.921 32 1HA GLY 7 1HA GLY 7 -6.277 1.520 -2.777 33 2HA GLY 7 2HA GLY 7 -7.515 1.789 -3.987 34 H ASN 8 H ASN 8 -6.990 -0.853 -1.536 35 HA ASN 8 HA ASN 8 -9.709 -0.455 -0.673 36 2HB ASN 8 2HB ASN 8 -7.597 -2.448 0.308 37 1HD2 ASN 8 1HD2 ASN 8 -8.576 -4.348 1.253 38 H ILE 9 H ILE 9 -6.281 -0.195 0.429 39 HA ILE 9 HA ILE 9 -7.242 0.770 3.029 40 HB ILE 9 HB ILE 9 -6.023 -1.095 3.519 41 1HG2 ILE 9 1HG2 ILE 9 -3.854 -1.682 2.361 42 2HG2 ILE 9 2HG2 ILE 9 -5.325 -1.797 1.367 43 3HG2 ILE 9 3HG2 ILE 9 -4.232 -0.403 1.183 44 1HD1 ILE 9 1HD1 ILE 9 -2.601 -0.129 3.103 45 2HD1 ILE 9 2HD1 ILE 9 -3.419 1.272 2.369 46 3HD1 ILE 9 3HD1 ILE 9 -2.658 1.424 3.970 47 H THR 10 H THR 10 -5.078 1.377 0.234 48 HA THR 10 HA THR 10 -3.800 3.610 1.455 49 HB THR 10 HB THR 10 -2.976 3.878 -0.975 50 HG1 THR 10 HG1 THR 10 -3.742 2.108 -2.346 51 1HG2 THR 10 1HG2 THR 10 -2.831 0.994 0.033 52 2HG2 THR 10 2HG2 THR 10 -1.642 1.846 -0.982 53 3HG2 THR 10 3HG2 THR 10 -1.845 2.304 0.726 54 H SER 11 H SER 11 -6.821 3.130 -0.276 55 HA SER 11 HA SER 11 -7.350 5.580 -1.232 56 2HB SER 11 2HB SER 11 -9.147 3.702 0.356 57 HG SER 11 HG SER 11 -9.945 5.855 -1.409 58 H GLN 12 H GLN 12 -7.303 4.504 2.201 59 HA GLN 12 HA GLN 12 -8.329 7.006 3.099 60 2HB GLN 12 2HB GLN 12 -7.089 4.723 4.698 61 2HG GLN 12 2HG GLN 12 -8.847 7.103 5.430 62 1HE2 GLN 12 1HE2 GLN 12 -9.428 7.186 7.691 63 2HE2 GLN 12 2HE2 GLN 12 -9.894 5.741 8.524 64 H CYS 13 H CYS 13 -5.140 5.274 3.136 65 HA CYS 13 HA CYS 13 -3.995 7.070 4.943 66 2HB CYS 13 2HB CYS 13 -1.877 5.982 4.385 67 H GLN 14 H GLN 14 -4.298 6.926 1.386 68 HA GLN 14 HA GLN 14 -2.238 8.632 0.743 69 2HB GLN 14 2HB GLN 14 -3.682 9.060 -1.362 70 2HG GLN 14 2HG GLN 14 -3.691 6.408 -1.811 71 1HE2 GLN 14 1HE2 GLN 14 -1.996 5.759 -3.078 72 2HE2 GLN 14 2HE2 GLN 14 -0.662 6.783 -3.497 73 H MET 15 H MET 15 -5.573 9.264 1.863 74 HA MET 15 HA MET 15 -5.333 12.049 1.221 75 2HB MET 15 2HB MET 15 -7.666 12.111 2.242 76 2HG MET 15 2HG MET 15 -7.176 9.832 0.261 77 1HE MET 15 1HE MET 15 -9.554 12.612 -0.568 78 2HE MET 15 2HE MET 15 -11.063 12.248 0.304 79 3HE MET 15 3HE MET 15 -9.631 12.816 1.198 80 H GLN 16 H GLN 16 -5.174 9.890 4.075 81 HA GLN 16 HA GLN 16 -5.658 11.904 5.941 82 2HB GLN 16 2HB GLN 16 -4.545 10.130 7.523 83 2HG GLN 16 2HG GLN 16 -6.554 8.593 7.224 84 1HE2 GLN 16 1HE2 GLN 16 -6.267 9.817 9.248 85 2HE2 GLN 16 2HE2 GLN 16 -7.308 11.161 9.579 86 H HIS 17 H HIS 17 -2.629 10.433 4.620 87 HA HIS 17 HA HIS 17 -1.118 12.656 5.645 88 2HB HIS 17 2HB HIS 17 -0.900 11.531 7.631 89 HD1 HIS 17 HD1 HIS 17 -1.608 9.585 9.050 90 HD2 HIS 17 HD2 HIS 17 -0.877 8.475 5.070 91 HE1 HIS 17 HE1 HIS 17 -2.290 7.134 8.854 92 H LYS 18 H LYS 18 -1.218 12.697 3.161 93 HA LYS 18 HA LYS 18 1.232 11.661 2.178 94 2HB LYS 18 2HB LYS 18 -0.684 10.564 0.343 95 2HG LYS 18 2HG LYS 18 0.593 8.418 1.153 96 2HD LYS 18 2HD LYS 18 1.799 10.853 -0.186 97 2HE LYS 18 2HE LYS 18 3.686 9.166 -0.849 98 1HZ LYS 18 1HZ LYS 18 3.774 10.079 1.964 99 2HZ LYS 18 2HZ LYS 18 5.004 10.005 0.899 100 H ASN 19 H ASN 19 -2.075 12.628 0.926 101 HA ASN 19 HA ASN 19 -2.692 14.739 0.695 102 2HB ASN 19 2HB ASN 19 0.174 15.706 0.341 103 1HD2 ASN 19 1HD2 ASN 19 0.027 17.632 2.265 104 H CYS 20 H CYS 20 0.405 14.030 -1.102 105 HA CYS 20 HA CYS 20 -0.450 15.324 -3.452 106 2HB CYS 20 2HB CYS 20 1.921 14.951 -2.766 107 H GLU 21 H GLU 21 -0.912 12.133 -2.006 108 HA GLU 21 HA GLU 21 -2.371 10.596 -2.484 109 2HB GLU 21 2HB GLU 21 -3.407 12.129 -4.886 110 2HG GLU 21 2HG GLU 21 -4.819 10.587 -2.659 111 HE2 GLU 21 HE2 GLU 21 -6.704 9.734 -3.803 112 H ASP 22 H ASP 22 0.200 10.185 -3.393 113 HA ASP 22 HA ASP 22 -0.338 8.643 -5.777 114 2HB ASP 22 2HB ASP 22 1.723 9.403 -6.875 115 HD2 ASP 22 HD2 ASP 22 0.133 13.013 -6.376 116 H ALA 23 H ALA 23 0.752 6.617 -5.660 117 HA ALA 23 HA ALA 23 1.628 5.950 -3.057 118 1HB ALA 23 1HB ALA 23 1.920 3.690 -4.083 119 2HB ALA 23 2HB ALA 23 0.330 4.411 -4.435 120 3HB ALA 23 3HB ALA 23 1.601 4.408 -5.682 121 H ASN 24 H ASN 24 3.279 6.162 -6.285 122 HA ASN 24 HA ASN 24 5.715 5.354 -5.019 123 2HB ASN 24 2HB ASN 24 5.165 4.469 -7.263 124 1HD2 ASN 24 1HD2 ASN 24 3.292 5.141 -8.219 125 H GLY 25 H GLY 25 4.026 8.289 -6.004 126 1HA GLY 25 1HA GLY 25 6.195 9.715 -7.104 127 2HA GLY 25 2HA GLY 25 4.648 10.367 -6.599 128 H CYS 26 H CYS 26 4.689 9.647 -3.809 129 HA CYS 26 HA CYS 26 6.802 11.498 -2.971 130 2HB CYS 26 2HB CYS 26 5.303 12.516 -1.429 131 H ASP 27 H ASP 27 6.821 8.486 -3.099 132 HA ASP 27 HA ASP 27 5.500 7.312 -1.059 133 2HB ASP 27 2HB ASP 27 8.185 6.456 -2.240 134 HD2 ASP 27 HD2 ASP 27 6.070 3.321 -1.120 135 H THR 28 H THR 28 5.726 7.769 1.143 136 HA THR 28 HA THR 28 8.352 7.384 2.297 137 HB THR 28 HB THR 28 6.796 10.011 2.425 138 HG1 THR 28 HG1 THR 28 9.562 9.151 1.936 139 1HG2 THR 28 1HG2 THR 28 9.096 8.997 4.176 140 2HG2 THR 28 2HG2 THR 28 8.635 10.710 4.034 141 3HG2 THR 28 3HG2 THR 28 7.497 9.538 4.738 142 H ILE 29 H ILE 29 4.971 8.478 3.045 143 HA ILE 29 HA ILE 29 5.128 7.059 5.549 144 HB ILE 29 HB ILE 29 3.390 9.076 4.288 145 1HG2 ILE 29 1HG2 ILE 29 2.278 6.964 6.141 146 2HG2 ILE 29 2HG2 ILE 29 1.549 8.577 5.953 147 3HG2 ILE 29 3HG2 ILE 29 1.662 7.483 4.554 148 1HD1 ILE 29 1HD1 ILE 29 4.293 7.424 7.474 149 2HD1 ILE 29 2HD1 ILE 29 4.596 8.936 8.363 150 3HD1 ILE 29 3HD1 ILE 29 2.931 8.477 7.930 151 H ILE 30 H ILE 30 3.669 6.703 2.303 152 HA ILE 30 HA ILE 30 1.789 4.755 3.099 153 HB ILE 30 HB ILE 30 1.846 6.332 1.056 154 1HG2 ILE 30 1HG2 ILE 30 4.051 5.497 0.234 155 2HG2 ILE 30 2HG2 ILE 30 3.263 3.953 -0.170 156 3HG2 ILE 30 3HG2 ILE 30 2.750 5.453 -0.980 157 1HD1 ILE 30 1HD1 ILE 30 -1.359 4.825 0.990 158 2HD1 ILE 30 2HD1 ILE 30 -0.373 5.722 2.168 159 3HD1 ILE 30 3HD1 ILE 30 -0.459 6.272 0.478 160 H GLU 31 H GLU 31 5.219 4.690 2.618 161 HA GLU 31 HA GLU 31 5.682 2.127 1.882 162 2HB GLU 31 2HB GLU 31 7.037 3.871 3.973 163 2HG GLU 31 2HG GLU 31 7.855 1.149 2.865 164 HE2 GLU 31 HE2 GLU 31 8.921 3.382 5.181 165 H GLU 32 H GLU 32 4.591 3.390 5.077 166 HA GLU 32 HA GLU 32 4.808 0.799 6.247 167 2HB GLU 32 2HB GLU 32 3.559 3.358 7.342 168 2HG GLU 32 2HG GLU 32 4.521 0.793 8.696 169 HE2 GLU 32 HE2 GLU 32 5.265 2.946 11.322 170 H CYS 33 H CYS 33 2.189 3.012 5.107 171 HA CYS 33 HA CYS 33 0.145 1.549 6.351 172 2HB CYS 33 2HB CYS 33 -0.628 3.128 3.999 173 H LYS 34 H LYS 34 1.717 1.502 3.121 174 HA LYS 34 HA LYS 34 -0.374 0.134 1.827 175 2HB LYS 34 2HB LYS 34 2.545 0.378 1.043 176 2HG LYS 34 2HG LYS 34 0.049 0.006 -0.673 177 2HD LYS 34 2HD LYS 34 1.871 -0.648 -2.367 178 2HE LYS 34 2HE LYS 34 2.466 1.726 -2.886 179 1HZ LYS 34 1HZ LYS 34 0.115 2.558 -2.826 180 2HZ LYS 34 2HZ LYS 34 0.254 1.078 -3.493 181 H THR 35 H THR 35 2.944 -1.056 2.795 182 HA THR 35 HA THR 35 2.504 -3.534 1.650 183 HB THR 35 HB THR 35 4.392 -2.554 3.850 184 HG1 THR 35 HG1 THR 35 4.859 -1.598 1.848 185 1HG2 THR 35 1HG2 THR 35 5.831 -4.492 3.110 186 2HG2 THR 35 2HG2 THR 35 4.349 -5.030 3.936 187 3HG2 THR 35 3HG2 THR 35 4.458 -5.110 2.161 188 H SER 36 H SER 36 1.610 -2.316 4.864 189 HA SER 36 HA SER 36 1.312 -4.615 6.226 190 2HB SER 36 2HB SER 36 -0.707 -3.410 7.320 191 HG SER 36 HG SER 36 1.418 -3.108 8.171 192 H MET 37 H MET 37 -1.373 -3.019 4.317 193 HA MET 37 HA MET 37 -2.798 -5.526 4.684 194 2HB MET 37 2HB MET 37 -4.802 -3.923 4.088 195 2HG MET 37 2HG MET 37 -4.698 -2.835 6.411 196 1HE MET 37 1HE MET 37 -3.510 -5.073 8.585 197 2HE MET 37 2HE MET 37 -5.067 -4.225 8.741 198 3HE MET 37 3HE MET 37 -5.009 -6.002 8.828 199 H VAL 38 H VAL 38 -1.064 -3.813 2.333 200 HA VAL 38 HA VAL 38 -2.844 -4.508 0.145 201 HB VAL 38 HB VAL 38 -0.244 -2.982 0.335 202 1HG1 VAL 38 1HG1 VAL 38 -1.903 -3.711 -2.094 203 2HG1 VAL 38 2HG1 VAL 38 -0.734 -2.369 -2.077 204 3HG1 VAL 38 3HG1 VAL 38 -0.178 -4.037 -1.800 205 1HG2 VAL 38 1HG2 VAL 38 -1.979 -1.640 1.198 206 2HG2 VAL 38 2HG2 VAL 38 -1.797 -1.113 -0.493 207 3HG2 VAL 38 3HG2 VAL 38 -3.138 -2.190 -0.036 208 H GLU 39 H GLU 39 -0.559 -6.054 2.061 209 HA GLU 39 HA GLU 39 1.100 -7.304 0.304 210 2HB GLU 39 2HB GLU 39 -0.101 -8.845 2.609 211 2HG GLU 39 2HG GLU 39 1.902 -9.605 1.130 212 HE2 GLU 39 HE2 GLU 39 4.262 -7.060 0.771 213 H ARG 40 H ARG 40 -2.332 -7.974 1.088 214 HA ARG 40 HA ARG 40 -2.527 -10.374 -0.255 215 2HB ARG 40 2HB ARG 40 -4.570 -8.143 0.188 216 2HG ARG 40 2HG ARG 40 -5.829 -10.695 -0.029 217 2HD ARG 40 2HD ARG 40 -6.946 -9.619 -2.011 218 HE ARG 40 HE ARG 40 -6.872 -8.483 0.639 219 1HH1 ARG 40 1HH1 ARG 40 -8.243 -8.041 -2.591 220 2HH1 ARG 40 2HH1 ARG 40 -9.399 -6.858 -2.078 221 2HH2 ARG 40 2HH2 ARG 40 -9.507 -6.252 0.239 222 H CYS 41 H CYS 41 -2.629 -6.958 -1.362 223 HA CYS 41 HA CYS 41 -3.462 -7.847 -4.004 224 2HB CYS 41 2HB CYS 41 -3.118 -4.964 -3.320 225 H GLN 42 H GLN 42 -0.719 -8.256 -2.719 226 HA GLN 42 HA GLN 42 1.075 -6.377 -3.569 227 2HB GLN 42 2HB GLN 42 1.417 -9.390 -3.245 228 2HG GLN 42 2HG GLN 42 3.840 -8.224 -2.624 229 1HE2 GLN 42 1HE2 GLN 42 3.671 -10.590 -2.944 230 2HE2 GLN 42 2HE2 GLN 42 4.068 -11.253 -4.494 231 H ASN 43 H ASN 43 -0.593 -8.948 -5.362 232 HA ASN 43 HA ASN 43 1.063 -9.266 -7.480 233 2HB ASN 43 2HB ASN 43 -1.943 -8.983 -7.871 234 1HD2 ASN 43 1HD2 ASN 43 -1.080 -8.718 -10.056 235 H GLN 44 H GLN 44 -1.243 -6.628 -6.685 236 HA GLN 44 HA GLN 44 -0.786 -5.349 -9.211 237 2HB GLN 44 2HB GLN 44 -2.143 -3.487 -7.763 238 2HG GLN 44 2HG GLN 44 -2.862 -4.733 -9.875 239 1HE2 GLN 44 1HE2 GLN 44 -2.292 -6.811 -10.268 240 2HE2 GLN 44 2HE2 GLN 44 -3.223 -8.175 -9.746 241 H GLU 45 H GLU 45 0.107 -4.932 -5.731 242 HA GLU 45 HA GLU 45 0.853 -2.275 -6.063 243 2HB GLU 45 2HB GLU 45 0.375 -3.918 -3.923 244 2HG GLU 45 2HG GLU 45 3.358 -3.266 -3.861 245 HE2 GLU 45 HE2 GLU 45 3.210 -2.471 -1.911 246 H PHE 46 H PHE 46 3.095 -1.345 -5.753 247 HA PHE 46 HA PHE 46 4.704 -2.715 -7.722 248 2HB PHE 46 2HB PHE 46 3.927 -0.142 -7.418 249 HD1 PHE 46 HD1 PHE 46 7.353 0.540 -7.290 250 HD2 PHE 46 HD2 PHE 46 3.969 0.082 -4.772 251 HE1 PHE 46 HE1 PHE 46 8.498 1.888 -5.509 252 HE2 PHE 46 HE2 PHE 46 5.113 1.431 -2.990 253 HZ PHE 46 HZ PHE 46 7.364 2.318 -3.380 254 H GLU 47 H GLU 47 4.891 -4.237 -5.373 255 HA GLU 47 HA GLU 47 5.803 -2.906 -3.210 256 2HB GLU 47 2HB GLU 47 6.142 -5.855 -3.910 257 2HG GLU 47 2HG GLU 47 7.619 -5.270 -2.022 258 HE2 GLU 47 HE2 GLU 47 4.899 -3.508 0.334 259 H SER 48 H SER 48 7.718 -1.900 -2.744 260 HA SER 48 HA SER 48 10.072 -3.479 -3.116 261 2HB SER 48 2HB SER 48 10.067 -2.213 -5.218 262 HG SER 48 HG SER 48 10.144 0.098 -5.184 263 H ALA 49 H ALA 49 9.001 -0.068 -2.339 264 HA ALA 49 HA ALA 49 10.465 0.036 0.080 265 1HB ALA 49 1HB ALA 49 9.694 2.040 -1.101 266 2HB ALA 49 2HB ALA 49 7.999 1.540 -0.887 267 3HB ALA 49 3HB ALA 49 8.982 1.984 0.529 268 H ALA 50 H ALA 50 10.013 -2.151 0.933 269 HA ALA 50 HA ALA 50 7.281 -2.664 1.727 270 1HB ALA 50 1HB ALA 50 8.711 -4.464 0.825 271 2HB ALA 50 2HB ALA 50 9.866 -4.218 2.157 272 3HB ALA 50 3HB ALA 50 8.224 -4.812 2.501 273 H GLY 51 H GLY 51 10.130 -1.098 2.960 274 1HA GLY 51 1HA GLY 51 9.122 -0.260 5.367 275 2HA GLY 51 2HA GLY 51 9.809 -1.836 5.707 276 H SER 52 H SER 52 12.028 -1.940 3.976 277 HA SER 52 HA SER 52 13.635 0.182 5.138 278 2HB SER 52 2HB SER 52 14.397 -2.528 3.964 279 HG SER 52 HG SER 52 16.123 -1.010 3.638 280 H THR 53 H THR 53 12.066 1.062 3.029 281 HA THR 53 HA THR 53 12.160 2.004 0.994 282 HB THR 53 HB THR 53 14.194 3.433 0.760 283 HG1 THR 53 HG1 THR 53 15.948 2.881 2.282 284 1HG2 THR 53 1HG2 THR 53 12.532 3.918 2.679 285 2HG2 THR 53 2HG2 THR 53 13.653 3.035 3.744 286 3HG2 THR 53 3HG2 THR 53 14.187 4.525 2.927 287 H THR 54 H THR 54 15.615 1.184 0.647 288 HA THR 54 HA THR 54 16.422 0.940 -1.467 289 HB THR 54 HB THR 54 16.170 -1.576 -2.047 290 HG1 THR 54 HG1 THR 54 13.987 -1.588 -0.986 291 1HG2 THR 54 1HG2 THR 54 16.776 -0.938 0.887 292 2HG2 THR 54 2HG2 THR 54 17.333 -2.364 -0.020 293 3HG2 THR 54 3HG2 THR 54 17.950 -0.748 -0.437 294 H LEU 55 H LEU 55 14.390 2.573 -1.930 295 HA LEU 55 HA LEU 55 12.799 1.326 -4.028 296 2HB LEU 55 2HB LEU 55 12.653 4.217 -3.272 297 HG LEU 55 HG LEU 55 10.461 2.215 -3.877 298 1HD1 LEU 55 1HD1 LEU 55 10.385 5.231 -3.594 299 2HD1 LEU 55 2HD1 LEU 55 9.018 4.185 -4.046 300 3HD1 LEU 55 3HD1 LEU 55 9.748 4.046 -2.429 301 1HD2 LEU 55 1HD2 LEU 55 10.253 3.572 -6.024 302 2HD2 LEU 55 2HD2 LEU 55 11.887 4.183 -5.669 303 3HD2 LEU 55 3HD2 LEU 55 11.622 2.440 -5.912 304 H GLY 56 H GLY 56 15.068 4.123 -3.551 305 1HA GLY 56 1HA GLY 56 16.797 3.702 -5.559 306 2HA GLY 56 2HA GLY 56 15.424 4.371 -6.418 307 HA PRO 57 HA PRO 57 16.486 8.353 -5.011 308 2HB PRO 57 2HB PRO 57 14.800 9.375 -6.199 309 2HG PRO 57 2HG PRO 57 12.982 8.027 -6.646 310 2HD PRO 57 2HD PRO 57 13.973 5.956 -6.528 311 H GLN 58 H GLN 58 14.525 6.454 -2.942 312 HA GLN 58 HA GLN 58 14.612 8.177 -0.755 313 2HB GLN 58 2HB GLN 58 14.161 5.983 0.539 314 2HG GLN 58 2HG GLN 58 12.424 6.694 -1.872 315 1HE2 GLN 58 1HE2 GLN 58 10.090 6.769 -0.446 316 2HE2 GLN 58 2HE2 GLN 58 9.623 5.167 0.015 Start of MODEL 18 1 1H ASP 1 1H ASP 1 -5.550 -5.793 -11.488 2 HA ASP 1 HA ASP 1 -5.800 -6.096 -14.341 3 2HB ASP 1 2HB ASP 1 -3.552 -6.937 -13.990 4 HD2 ASP 1 HD2 ASP 1 -3.343 -6.395 -11.784 5 H GLN 2 H GLN 2 -7.846 -5.798 -12.418 6 HA GLN 2 HA GLN 2 -9.524 -6.701 -11.374 7 2HB GLN 2 2HB GLN 2 -9.238 -9.255 -12.976 8 2HG GLN 2 2HG GLN 2 -11.738 -8.869 -13.191 9 1HE2 GLN 2 1HE2 GLN 2 -11.045 -10.960 -12.396 10 2HE2 GLN 2 2HE2 GLN 2 -11.209 -11.349 -10.716 11 H ASN 3 H ASN 3 -8.289 -6.819 -9.354 12 HA ASN 3 HA ASN 3 -7.893 -9.461 -8.412 13 2HB ASN 3 2HB ASN 3 -5.772 -9.159 -9.684 14 1HD2 ASN 3 1HD2 ASN 3 -4.273 -7.686 -7.089 15 H CYS 4 H CYS 4 -8.540 -9.269 -6.260 16 HA CYS 4 HA CYS 4 -9.029 -8.359 -4.313 17 2HB CYS 4 2HB CYS 4 -6.580 -8.766 -4.126 18 H ASP 5 H ASP 5 -8.056 -5.741 -3.232 19 HA ASP 5 HA ASP 5 -10.026 -4.178 -4.639 20 2HB ASP 5 2HB ASP 5 -9.927 -2.700 -2.664 21 HD2 ASP 5 HD2 ASP 5 -12.081 -4.923 -1.167 22 H ILE 6 H ILE 6 -6.559 -4.217 -3.656 23 HA ILE 6 HA ILE 6 -4.896 -2.756 -4.019 24 HB ILE 6 HB ILE 6 -4.767 -4.139 -5.930 25 1HG2 ILE 6 1HG2 ILE 6 -5.979 -3.650 -8.034 26 2HG2 ILE 6 2HG2 ILE 6 -7.060 -4.083 -6.687 27 3HG2 ILE 6 3HG2 ILE 6 -6.894 -2.381 -7.183 28 1HD1 ILE 6 1HD1 ILE 6 -2.640 -3.240 -5.427 29 2HD1 ILE 6 2HD1 ILE 6 -2.057 -1.765 -6.233 30 3HD1 ILE 6 3HD1 ILE 6 -3.133 -1.640 -4.821 31 H GLY 7 H GLY 7 -5.741 -0.985 -2.740 32 1HA GLY 7 1HA GLY 7 -5.567 1.478 -3.608 33 2HA GLY 7 2HA GLY 7 -7.164 1.103 -4.225 34 H ASN 8 H ASN 8 -7.468 -0.869 -1.777 35 HA ASN 8 HA ASN 8 -9.319 0.861 -0.721 36 2HB ASN 8 2HB ASN 8 -8.169 -1.760 0.365 37 1HD2 ASN 8 1HD2 ASN 8 -8.224 -1.368 2.520 38 H ILE 9 H ILE 9 -6.298 -0.554 0.775 39 HA ILE 9 HA ILE 9 -6.738 0.825 3.209 40 HB ILE 9 HB ILE 9 -5.643 -1.397 2.931 41 1HG2 ILE 9 1HG2 ILE 9 -3.282 -1.506 2.347 42 2HG2 ILE 9 2HG2 ILE 9 -4.237 -0.858 0.992 43 3HG2 ILE 9 3HG2 ILE 9 -3.267 0.241 2.003 44 1HD1 ILE 9 1HD1 ILE 9 -6.334 0.681 5.357 45 2HD1 ILE 9 2HD1 ILE 9 -6.524 -1.053 4.998 46 3HD1 ILE 9 3HD1 ILE 9 -5.479 -0.531 6.341 47 H THR 10 H THR 10 -4.957 1.482 0.207 48 HA THR 10 HA THR 10 -3.191 3.389 1.354 49 HB THR 10 HB THR 10 -3.019 3.915 -1.250 50 HG1 THR 10 HG1 THR 10 -5.028 2.863 -1.789 51 1HG2 THR 10 1HG2 THR 10 -2.476 1.076 -0.229 52 2HG2 THR 10 2HG2 THR 10 -1.719 1.846 -1.644 53 3HG2 THR 10 3HG2 THR 10 -1.370 2.454 -0.007 54 H SER 11 H SER 11 -6.396 3.593 -0.275 55 HA SER 11 HA SER 11 -6.181 6.194 -1.033 56 2HB SER 11 2HB SER 11 -8.635 4.582 -0.220 57 HG SER 11 HG SER 11 -9.827 6.134 -1.483 58 H GLN 12 H GLN 12 -7.244 4.787 2.107 59 HA GLN 12 HA GLN 12 -8.358 7.122 3.106 60 2HB GLN 12 2HB GLN 12 -7.104 4.816 4.661 61 2HG GLN 12 2HG GLN 12 -9.178 6.944 5.347 62 1HE2 GLN 12 1HE2 GLN 12 -10.827 5.312 5.443 63 2HE2 GLN 12 2HE2 GLN 12 -10.955 4.267 6.819 64 H CYS 13 H CYS 13 -5.060 5.664 3.508 65 HA CYS 13 HA CYS 13 -4.219 7.643 5.318 66 2HB CYS 13 2HB CYS 13 -1.905 6.721 4.686 67 H GLN 14 H GLN 14 -4.152 7.211 1.761 68 HA GLN 14 HA GLN 14 -2.207 9.106 1.228 69 2HB GLN 14 2HB GLN 14 -3.927 9.110 -0.994 70 2HG GLN 14 2HG GLN 14 -1.494 7.560 -0.122 71 1HE2 GLN 14 1HE2 GLN 14 -3.923 7.743 -2.712 72 2HE2 GLN 14 2HE2 GLN 14 -3.730 6.121 -3.289 73 H MET 15 H MET 15 -5.817 9.350 1.386 74 HA MET 15 HA MET 15 -5.856 12.089 0.807 75 2HB MET 15 2HB MET 15 -8.202 11.864 1.908 76 2HG MET 15 2HG MET 15 -7.337 9.896 -0.262 77 1HE MET 15 1HE MET 15 -10.890 9.238 -1.757 78 2HE MET 15 2HE MET 15 -9.838 10.621 -2.139 79 3HE MET 15 3HE MET 15 -9.136 8.998 -1.939 80 H GLN 16 H GLN 16 -5.586 10.183 3.847 81 HA GLN 16 HA GLN 16 -6.508 12.241 5.477 82 2HB GLN 16 2HB GLN 16 -4.780 9.825 6.171 83 2HG GLN 16 2HG GLN 16 -6.575 11.586 7.906 84 1HE2 GLN 16 1HE2 GLN 16 -5.701 11.080 10.271 85 2HE2 GLN 16 2HE2 GLN 16 -5.801 9.413 10.733 86 H HIS 17 H HIS 17 -3.158 11.059 4.713 87 HA HIS 17 HA HIS 17 -2.098 13.587 5.611 88 2HB HIS 17 2HB HIS 17 -2.006 12.725 7.729 89 HD1 HIS 17 HD1 HIS 17 -2.546 10.850 9.331 90 HD2 HIS 17 HD2 HIS 17 -1.413 9.455 5.541 91 HE1 HIS 17 HE1 HIS 17 -2.943 8.330 9.349 92 H LYS 18 H LYS 18 -1.765 13.476 3.196 93 HA LYS 18 HA LYS 18 0.850 12.560 2.623 94 2HB LYS 18 2HB LYS 18 -0.751 11.157 0.682 95 2HG LYS 18 2HG LYS 18 0.621 9.212 1.745 96 2HD LYS 18 2HD LYS 18 2.856 10.416 0.965 97 2HE LYS 18 2HE LYS 18 1.859 10.382 -1.484 98 1HZ LYS 18 1HZ LYS 18 2.100 8.042 -1.467 99 2HZ LYS 18 2HZ LYS 18 3.078 8.530 -0.258 100 H ASN 19 H ASN 19 1.040 14.825 2.113 101 HA ASN 19 HA ASN 19 -0.298 16.006 0.026 102 2HB ASN 19 2HB ASN 19 1.296 17.298 1.323 103 1HD2 ASN 19 1HD2 ASN 19 2.350 16.273 2.960 104 H CYS 20 H CYS 20 -0.041 15.821 -2.310 105 HA CYS 20 HA CYS 20 -0.008 14.491 -4.054 106 2HB CYS 20 2HB CYS 20 2.636 14.670 -3.354 107 H GLU 21 H GLU 21 -1.299 12.692 -4.380 108 HA GLU 21 HA GLU 21 -1.525 10.904 -2.113 109 2HB GLU 21 2HB GLU 21 -3.608 10.143 -3.563 110 2HG GLU 21 2HG GLU 21 -3.518 12.928 -2.312 111 HE2 GLU 21 HE2 GLU 21 -6.944 10.847 -2.754 112 H ASP 22 H ASP 22 0.488 11.021 -4.609 113 HA ASP 22 HA ASP 22 -0.004 8.662 -6.007 114 2HB ASP 22 2HB ASP 22 2.343 8.899 -6.768 115 HD2 ASP 22 HD2 ASP 22 0.860 12.618 -7.125 116 H ALA 23 H ALA 23 0.508 6.513 -5.454 117 HA ALA 23 HA ALA 23 1.210 5.967 -2.778 118 1HB ALA 23 1HB ALA 23 1.128 3.609 -3.557 119 2HB ALA 23 2HB ALA 23 -0.287 4.542 -4.102 120 3HB ALA 23 3HB ALA 23 1.034 4.182 -5.239 121 H ASN 24 H ASN 24 2.975 5.756 -5.935 122 HA ASN 24 HA ASN 24 5.177 4.555 -4.538 123 2HB ASN 24 2HB ASN 24 4.514 3.625 -6.732 124 1HD2 ASN 24 1HD2 ASN 24 2.825 4.551 -7.801 125 H GLY 25 H GLY 25 4.044 7.682 -5.410 126 1HA GLY 25 1HA GLY 25 6.456 8.813 -6.450 127 2HA GLY 25 2HA GLY 25 4.982 9.651 -6.008 128 H CYS 26 H CYS 26 4.537 9.740 -3.503 129 HA CYS 26 HA CYS 26 6.862 11.030 -2.463 130 2HB CYS 26 2HB CYS 26 5.328 11.561 -0.541 131 H ASP 27 H ASP 27 4.746 8.192 -1.605 132 HA ASP 27 HA ASP 27 5.232 6.331 -0.580 133 2HB ASP 27 2HB ASP 27 8.016 6.840 -1.731 134 HD2 ASP 27 HD2 ASP 27 8.510 3.291 -1.734 135 H THR 28 H THR 28 5.157 7.985 1.448 136 HA THR 28 HA THR 28 7.609 7.479 2.982 137 HB THR 28 HB THR 28 6.075 10.099 2.624 138 HG1 THR 28 HG1 THR 28 7.855 9.629 1.174 139 1HG2 THR 28 1HG2 THR 28 6.575 9.837 5.053 140 2HG2 THR 28 2HG2 THR 28 8.248 9.371 4.660 141 3HG2 THR 28 3HG2 THR 28 7.680 11.024 4.318 142 H ILE 29 H ILE 29 4.290 8.886 3.431 143 HA ILE 29 HA ILE 29 4.164 7.534 5.977 144 HB ILE 29 HB ILE 29 2.649 9.660 4.560 145 1HG2 ILE 29 1HG2 ILE 29 0.792 8.292 5.052 146 2HG2 ILE 29 2HG2 ILE 29 1.444 7.833 6.643 147 3HG2 ILE 29 3HG2 ILE 29 0.867 9.494 6.363 148 1HD1 ILE 29 1HD1 ILE 29 4.010 9.804 8.585 149 2HD1 ILE 29 2HD1 ILE 29 2.291 9.491 8.244 150 3HD1 ILE 29 3HD1 ILE 29 3.511 8.250 7.875 151 H ILE 30 H ILE 30 2.838 7.266 2.674 152 HA ILE 30 HA ILE 30 0.796 5.448 3.307 153 HB ILE 30 HB ILE 30 1.081 6.857 1.234 154 1HG2 ILE 30 1HG2 ILE 30 2.342 5.928 -0.628 155 2HG2 ILE 30 2HG2 ILE 30 3.416 6.267 0.750 156 3HG2 ILE 30 3HG2 ILE 30 2.918 4.594 0.401 157 1HD1 ILE 30 1HD1 ILE 30 -1.919 5.384 0.808 158 2HD1 ILE 30 2HD1 ILE 30 -1.313 4.727 2.348 159 3HD1 ILE 30 3HD1 ILE 30 -0.977 6.419 1.908 160 H GLU 31 H GLU 31 4.273 5.137 3.267 161 HA GLU 31 HA GLU 31 4.546 2.904 1.745 162 2HB GLU 31 2HB GLU 31 6.255 3.743 4.130 163 2HG GLU 31 2HG GLU 31 6.831 2.013 1.681 164 HE2 GLU 31 HE2 GLU 31 8.200 3.695 1.194 165 H GLU 32 H GLU 32 4.025 3.168 5.313 166 HA GLU 32 HA GLU 32 4.143 0.328 5.578 167 2HB GLU 32 2HB GLU 32 3.361 2.469 7.606 168 2HG GLU 32 2HG GLU 32 2.641 0.153 8.225 169 HE2 GLU 32 HE2 GLU 32 4.581 -2.528 7.271 170 H CYS 33 H CYS 33 1.674 2.918 5.426 171 HA CYS 33 HA CYS 33 -0.505 1.408 6.243 172 2HB CYS 33 2HB CYS 33 -0.605 3.588 4.160 173 H LYS 34 H LYS 34 1.474 1.385 3.333 174 HA LYS 34 HA LYS 34 -0.631 0.423 1.632 175 2HB LYS 34 2HB LYS 34 2.317 0.963 1.230 176 2HG LYS 34 2HG LYS 34 0.228 -0.199 -0.656 177 2HD LYS 34 2HD LYS 34 1.189 1.707 -1.842 178 2HE LYS 34 2HE LYS 34 3.157 2.233 -0.548 179 1HZ LYS 34 1HZ LYS 34 4.440 -0.296 -1.366 180 2HZ LYS 34 2HZ LYS 34 4.864 0.699 -0.149 181 H THR 35 H THR 35 2.632 -0.947 2.521 182 HA THR 35 HA THR 35 2.037 -3.336 1.195 183 HB THR 35 HB THR 35 4.106 -2.991 3.408 184 HG1 THR 35 HG1 THR 35 3.959 -2.003 0.646 185 1HG2 THR 35 1HG2 THR 35 4.102 -4.319 0.646 186 2HG2 THR 35 2HG2 THR 35 5.531 -4.180 1.697 187 3HG2 THR 35 3HG2 THR 35 4.140 -5.163 2.214 188 H SER 36 H SER 36 1.244 -2.221 4.429 189 HA SER 36 HA SER 36 0.913 -4.370 5.893 190 2HB SER 36 2HB SER 36 0.060 -2.100 6.457 191 HG SER 36 HG SER 36 -1.154 -1.436 4.707 192 H MET 37 H MET 37 -1.673 -3.343 3.532 193 HA MET 37 HA MET 37 -2.620 -6.083 3.608 194 2HB MET 37 2HB MET 37 -4.285 -4.271 2.044 195 2HG MET 37 2HG MET 37 -4.516 -5.787 4.658 196 1HE MET 37 1HE MET 37 -5.447 -4.617 6.594 197 2HE MET 37 2HE MET 37 -4.684 -3.203 5.828 198 3HE MET 37 3HE MET 37 -6.330 -3.076 6.495 199 H VAL 38 H VAL 38 -0.901 -3.810 1.588 200 HA VAL 38 HA VAL 38 -2.049 -4.783 -0.867 201 HB VAL 38 HB VAL 38 0.034 -2.711 -0.176 202 1HG1 VAL 38 1HG1 VAL 38 -0.912 -3.699 -2.868 203 2HG1 VAL 38 2HG1 VAL 38 -0.315 -2.037 -2.645 204 3HG1 VAL 38 3HG1 VAL 38 0.750 -3.420 -2.293 205 1HG2 VAL 38 1HG2 VAL 38 -1.720 -1.147 -1.033 206 2HG2 VAL 38 2HG2 VAL 38 -2.830 -2.532 -1.166 207 3HG2 VAL 38 3HG2 VAL 38 -2.206 -2.042 0.427 208 H GLU 39 H GLU 39 0.381 -5.827 1.281 209 HA GLU 39 HA GLU 39 2.188 -6.952 -0.460 210 2HB GLU 39 2HB GLU 39 1.075 -8.118 2.131 211 2HG GLU 39 2HG GLU 39 2.395 -9.793 0.930 212 HE2 GLU 39 HE2 GLU 39 5.052 -7.052 -0.277 213 H ARG 40 H ARG 40 -1.151 -7.896 0.424 214 HA ARG 40 HA ARG 40 -1.074 -10.351 -0.904 215 2HB ARG 40 2HB ARG 40 -3.365 -8.465 -0.177 216 2HG ARG 40 2HG ARG 40 -3.439 -11.294 -1.320 217 2HD ARG 40 2HD ARG 40 -5.960 -11.022 -0.975 218 HE ARG 40 HE ARG 40 -4.046 -11.883 0.917 219 1HH1 ARG 40 1HH1 ARG 40 -7.398 -10.739 0.900 220 2HH1 ARG 40 2HH1 ARG 40 -7.809 -11.536 2.383 221 2HH2 ARG 40 2HH2 ARG 40 -6.149 -12.848 3.508 222 H CYS 41 H CYS 41 -1.661 -6.967 -1.889 223 HA CYS 41 HA CYS 41 -2.604 -7.859 -4.489 224 2HB CYS 41 2HB CYS 41 -3.205 -5.518 -4.857 225 H GLN 42 H GLN 42 0.278 -7.908 -3.232 226 HA GLN 42 HA GLN 42 1.814 -5.955 -4.368 227 2HB GLN 42 2HB GLN 42 2.562 -8.871 -3.869 228 2HG GLN 42 2HG GLN 42 4.171 -6.330 -4.310 229 1HE2 GLN 42 1HE2 GLN 42 5.327 -9.605 -4.023 230 2HE2 GLN 42 2HE2 GLN 42 6.316 -9.401 -2.615 231 H ASN 43 H ASN 43 0.284 -8.795 -5.823 232 HA ASN 43 HA ASN 43 1.631 -9.205 -8.074 233 2HB ASN 43 2HB ASN 43 -0.914 -9.091 -9.105 234 1HD2 ASN 43 1HD2 ASN 43 0.540 -10.776 -9.892 235 H GLN 44 H GLN 44 -0.780 -6.532 -7.471 236 HA GLN 44 HA GLN 44 -0.258 -5.567 -10.135 237 2HB GLN 44 2HB GLN 44 -2.321 -4.703 -8.060 238 2HG GLN 44 2HG GLN 44 -1.916 -2.889 -9.657 239 1HE2 GLN 44 1HE2 GLN 44 -0.276 -2.912 -11.078 240 2HE2 GLN 44 2HE2 GLN 44 -0.352 -3.586 -12.672 241 H GLU 45 H GLU 45 -0.117 -4.471 -6.695 242 HA GLU 45 HA GLU 45 0.682 -1.893 -7.185 243 2HB GLU 45 2HB GLU 45 1.473 -3.712 -4.866 244 2HG GLU 45 2HG GLU 45 2.765 -1.536 -5.047 245 HE2 GLU 45 HE2 GLU 45 -0.618 0.654 -4.891 246 H PHE 46 H PHE 46 2.487 -4.958 -7.292 247 HA PHE 46 HA PHE 46 4.511 -5.451 -8.015 248 2HB PHE 46 2HB PHE 46 5.030 -2.573 -8.831 249 HD1 PHE 46 HD1 PHE 46 6.854 -2.480 -10.225 250 HD2 PHE 46 HD2 PHE 46 4.522 -6.026 -10.180 251 HE1 PHE 46 HE1 PHE 46 8.433 -3.539 -11.863 252 HE2 PHE 46 HE2 PHE 46 6.101 -7.085 -11.819 253 HZ PHE 46 HZ PHE 46 8.037 -5.829 -12.641 254 H GLU 47 H GLU 47 3.991 -4.198 -5.299 255 HA GLU 47 HA GLU 47 6.140 -2.575 -4.642 256 2HB GLU 47 2HB GLU 47 4.525 -4.499 -2.910 257 2HG GLU 47 2HG GLU 47 6.563 -3.861 -1.716 258 HE2 GLU 47 HE2 GLU 47 6.332 0.078 -2.535 259 H SER 48 H SER 48 8.256 -2.994 -3.967 260 HA SER 48 HA SER 48 10.114 -4.078 -3.675 261 2HB SER 48 2HB SER 48 8.711 -4.996 -1.724 262 HG SER 48 HG SER 48 7.401 -6.529 -2.771 263 H ALA 49 H ALA 49 8.647 -4.372 -6.263 264 HA ALA 49 HA ALA 49 10.341 -6.523 -7.236 265 1HB ALA 49 1HB ALA 49 8.142 -7.583 -6.873 266 2HB ALA 49 2HB ALA 49 7.367 -6.319 -7.859 267 3HB ALA 49 3HB ALA 49 8.513 -7.456 -8.609 268 H ALA 50 H ALA 50 10.465 -3.563 -7.182 269 HA ALA 50 HA ALA 50 9.339 -2.650 -9.660 270 1HB ALA 50 1HB ALA 50 11.113 -1.288 -7.592 271 2HB ALA 50 2HB ALA 50 10.256 -0.475 -8.924 272 3HB ALA 50 3HB ALA 50 9.333 -1.263 -7.621 273 H GLY 51 H GLY 51 12.515 -3.642 -8.358 274 1HA GLY 51 1HA GLY 51 13.567 -3.481 -11.112 275 2HA GLY 51 2HA GLY 51 14.489 -2.857 -9.758 276 H SER 52 H SER 52 12.361 -5.736 -9.551 277 HA SER 52 HA SER 52 14.456 -7.541 -10.103 278 2HB SER 52 2HB SER 52 14.094 -8.541 -7.620 279 HG SER 52 HG SER 52 15.909 -6.397 -8.333 280 H THR 53 H THR 53 13.631 -9.713 -10.338 281 HA THR 53 HA THR 53 12.041 -11.177 -10.888 282 HB THR 53 HB THR 53 10.637 -10.163 -8.367 283 HG1 THR 53 HG1 THR 53 12.309 -11.346 -7.292 284 1HG2 THR 53 1HG2 THR 53 10.192 -12.575 -8.027 285 2HG2 THR 53 2HG2 THR 53 9.558 -12.079 -9.614 286 3HG2 THR 53 3HG2 THR 53 11.095 -12.970 -9.508 287 H THR 54 H THR 54 11.813 -9.054 -12.512 288 HA THR 54 HA THR 54 9.205 -7.847 -12.255 289 HB THR 54 HB THR 54 10.037 -6.760 -14.456 290 HG1 THR 54 HG1 THR 54 12.181 -7.387 -15.010 291 1HG2 THR 54 1HG2 THR 54 11.764 -5.397 -13.367 292 2HG2 THR 54 2HG2 THR 54 10.487 -5.721 -12.171 293 3HG2 THR 54 3HG2 THR 54 12.011 -6.640 -12.117 294 H LEU 55 H LEU 55 8.231 -10.152 -12.228 295 HA LEU 55 HA LEU 55 7.131 -10.697 -14.774 296 2HB LEU 55 2HB LEU 55 9.334 -12.499 -13.781 297 HG LEU 55 HG LEU 55 7.408 -13.899 -14.513 298 1HD1 LEU 55 1HD1 LEU 55 6.837 -13.889 -16.950 299 2HD1 LEU 55 2HD1 LEU 55 6.292 -12.451 -16.053 300 3HD1 LEU 55 3HD1 LEU 55 7.731 -12.356 -17.098 301 1HD2 LEU 55 1HD2 LEU 55 9.696 -14.698 -14.765 302 2HD2 LEU 55 2HD2 LEU 55 8.677 -15.262 -16.111 303 3HD2 LEU 55 3HD2 LEU 55 9.813 -13.913 -16.357 304 H GLY 56 H GLY 56 8.036 -12.070 -11.543 305 1HA GLY 56 1HA GLY 56 6.102 -14.001 -11.337 306 2HA GLY 56 2HA GLY 56 6.792 -13.118 -9.989 307 HA PRO 57 HA PRO 57 3.181 -11.042 -9.224 308 2HB PRO 57 2HB PRO 57 4.139 -9.683 -7.631 309 2HG PRO 57 2HG PRO 57 6.361 -9.186 -8.000 310 2HD PRO 57 2HD PRO 57 6.970 -10.981 -9.301 311 H GLN 58 H GLN 58 4.808 -9.030 -11.619 312 HA GLN 58 HA GLN 58 2.570 -9.460 -13.307 313 2HB GLN 58 2HB GLN 58 3.198 -6.599 -12.454 314 2HG GLN 58 2HG GLN 58 1.373 -7.833 -14.538 315 1HE2 GLN 58 1HE2 GLN 58 -0.540 -7.577 -13.279 316 2HE2 GLN 58 2HE2 GLN 58 -1.309 -6.031 -13.141 Start of MODEL 19 1 1H ASP 1 1H ASP 1 -8.340 1.248 -11.315 2 HA ASP 1 HA ASP 1 -8.278 -0.869 -10.370 3 2HB ASP 1 2HB ASP 1 -10.465 0.146 -10.098 4 HD2 ASP 1 HD2 ASP 1 -12.483 -0.988 -13.319 5 H GLN 2 H GLN 2 -7.982 -3.122 -10.729 6 HA GLN 2 HA GLN 2 -8.946 -4.255 -13.174 7 2HB GLN 2 2HB GLN 2 -6.980 -3.826 -14.262 8 2HG GLN 2 2HG GLN 2 -4.756 -3.733 -12.764 9 1HE2 GLN 2 1HE2 GLN 2 -5.377 -1.326 -11.117 10 2HE2 GLN 2 2HE2 GLN 2 -5.776 -0.035 -12.200 11 H ASN 3 H ASN 3 -6.877 -4.639 -10.228 12 HA ASN 3 HA ASN 3 -8.375 -7.060 -9.700 13 2HB ASN 3 2HB ASN 3 -6.236 -7.841 -10.669 14 1HD2 ASN 3 1HD2 ASN 3 -4.964 -6.146 -11.442 15 H CYS 4 H CYS 4 -8.191 -7.656 -7.290 16 HA CYS 4 HA CYS 4 -7.896 -7.290 -5.148 17 2HB CYS 4 2HB CYS 4 -5.670 -5.553 -6.189 18 H ASP 5 H ASP 5 -6.901 -3.927 -5.913 19 HA ASP 5 HA ASP 5 -9.338 -2.709 -5.836 20 2HB ASP 5 2HB ASP 5 -8.324 -2.146 -3.129 21 HD2 ASP 5 HD2 ASP 5 -10.761 -4.150 -4.293 22 H ILE 6 H ILE 6 -6.039 -2.667 -4.303 23 HA ILE 6 HA ILE 6 -4.338 -1.274 -4.499 24 HB ILE 6 HB ILE 6 -3.749 -0.779 -6.591 25 1HG2 ILE 6 1HG2 ILE 6 -5.054 -2.967 -6.655 26 2HG2 ILE 6 2HG2 ILE 6 -6.356 -2.042 -7.439 27 3HG2 ILE 6 3HG2 ILE 6 -4.757 -2.156 -8.211 28 1HD1 ILE 6 1HD1 ILE 6 -6.274 -0.401 -8.935 29 2HD1 ILE 6 2HD1 ILE 6 -5.685 1.268 -9.129 30 3HD1 ILE 6 3HD1 ILE 6 -4.528 -0.082 -9.063 31 H GLY 7 H GLY 7 -7.085 -0.439 -3.306 32 1HA GLY 7 1HA GLY 7 -6.306 2.326 -2.819 33 2HA GLY 7 2HA GLY 7 -7.857 2.084 -3.598 34 H ASN 8 H ASN 8 -6.455 -0.259 -1.269 35 HA ASN 8 HA ASN 8 -9.008 -0.092 0.041 36 2HB ASN 8 2HB ASN 8 -8.272 -2.329 -0.591 37 1HD2 ASN 8 1HD2 ASN 8 -6.424 -2.429 -1.804 38 H ILE 9 H ILE 9 -5.455 0.114 0.705 39 HA ILE 9 HA ILE 9 -6.117 1.345 3.287 40 HB ILE 9 HB ILE 9 -4.699 -0.673 3.360 41 1HG2 ILE 9 1HG2 ILE 9 -2.668 1.005 1.859 42 2HG2 ILE 9 2HG2 ILE 9 -2.418 -0.625 2.529 43 3HG2 ILE 9 3HG2 ILE 9 -3.567 -0.379 1.193 44 1HD1 ILE 9 1HD1 ILE 9 -4.246 0.971 6.508 45 2HD1 ILE 9 2HD1 ILE 9 -5.655 0.898 5.424 46 3HD1 ILE 9 3HD1 ILE 9 -4.665 -0.556 5.696 47 H THR 10 H THR 10 -4.370 1.693 0.164 48 HA THR 10 HA THR 10 -2.772 3.840 0.987 49 HB THR 10 HB THR 10 -2.539 4.078 -1.579 50 HG1 THR 10 HG1 THR 10 -3.804 2.511 -2.736 51 1HG2 THR 10 1HG2 THR 10 -1.381 1.976 -1.871 52 2HG2 THR 10 2HG2 THR 10 -1.183 2.388 -0.151 53 3HG2 THR 10 3HG2 THR 10 -2.389 1.175 -0.641 54 H SER 11 H SER 11 -5.958 3.764 -0.710 55 HA SER 11 HA SER 11 -6.142 6.413 -1.252 56 2HB SER 11 2HB SER 11 -8.331 4.474 -0.386 57 HG SER 11 HG SER 11 -8.579 6.917 -1.921 58 H GLN 12 H GLN 12 -6.874 4.654 1.817 59 HA GLN 12 HA GLN 12 -8.156 6.854 2.986 60 2HB GLN 12 2HB GLN 12 -6.905 4.429 4.350 61 2HG GLN 12 2HG GLN 12 -9.070 6.422 5.154 62 1HE2 GLN 12 1HE2 GLN 12 -7.198 3.902 6.794 63 2HE2 GLN 12 2HE2 GLN 12 -8.534 3.009 7.442 64 H CYS 13 H CYS 13 -4.834 5.435 3.300 65 HA CYS 13 HA CYS 13 -4.134 7.191 5.395 66 2HB CYS 13 2HB CYS 13 -1.809 6.325 4.937 67 H GLN 14 H GLN 14 -4.034 7.234 1.845 68 HA GLN 14 HA GLN 14 -2.178 9.316 1.612 69 2HB GLN 14 2HB GLN 14 -3.427 9.567 -0.699 70 2HG GLN 14 2HG GLN 14 -1.975 7.057 0.246 71 1HE2 GLN 14 1HE2 GLN 14 -0.565 6.398 -1.801 72 2HE2 GLN 14 2HE2 GLN 14 -1.483 6.006 -3.217 73 H MET 15 H MET 15 -5.808 9.218 1.587 74 HA MET 15 HA MET 15 -6.153 11.937 1.271 75 2HB MET 15 2HB MET 15 -8.427 11.366 2.458 76 2HG MET 15 2HG MET 15 -9.029 9.677 0.554 77 1HE MET 15 1HE MET 15 -8.367 10.718 -2.291 78 2HE MET 15 2HE MET 15 -10.035 10.601 -1.683 79 3HE MET 15 3HE MET 15 -9.476 12.099 -2.466 80 H GLN 16 H GLN 16 -5.573 9.933 4.185 81 HA GLN 16 HA GLN 16 -6.195 11.898 6.043 82 2HB GLN 16 2HB GLN 16 -4.522 10.475 7.490 83 2HG GLN 16 2HG GLN 16 -6.208 8.496 7.397 84 1HE2 GLN 16 1HE2 GLN 16 -5.777 9.549 9.465 85 2HE2 GLN 16 2HE2 GLN 16 -6.933 10.663 10.118 86 H HIS 17 H HIS 17 -3.043 10.927 4.528 87 HA HIS 17 HA HIS 17 -2.087 13.603 4.799 88 2HB HIS 17 2HB HIS 17 -1.318 13.284 6.896 89 HD1 HIS 17 HD1 HIS 17 -1.820 11.913 8.914 90 HD2 HIS 17 HD2 HIS 17 -0.895 9.527 5.591 91 HE1 HIS 17 HE1 HIS 17 -2.079 9.492 9.677 92 H LYS 18 H LYS 18 -1.283 13.892 2.773 93 HA LYS 18 HA LYS 18 1.087 12.558 2.132 94 2HB LYS 18 2HB LYS 18 -0.380 11.834 -0.176 95 2HG LYS 18 2HG LYS 18 0.248 9.491 0.670 96 2HD LYS 18 2HD LYS 18 2.043 11.765 0.063 97 2HE LYS 18 2HE LYS 18 4.102 10.313 0.565 98 1HZ LYS 18 1HZ LYS 18 4.139 11.036 2.898 99 2HZ LYS 18 2HZ LYS 18 3.548 12.227 1.959 100 H ASN 19 H ASN 19 -1.804 14.296 0.796 101 HA ASN 19 HA ASN 19 -1.996 15.784 -0.771 102 2HB ASN 19 2HB ASN 19 -0.443 17.715 -0.757 103 1HD2 ASN 19 1HD2 ASN 19 -2.438 18.166 0.326 104 H CYS 20 H CYS 20 -1.235 13.418 -1.884 105 HA CYS 20 HA CYS 20 0.564 14.135 -3.997 106 2HB CYS 20 2HB CYS 20 1.324 11.937 -2.062 107 H GLU 21 H GLU 21 -0.937 11.317 -2.226 108 HA GLU 21 HA GLU 21 -2.493 9.921 -2.808 109 2HB GLU 21 2HB GLU 21 -4.177 10.642 -4.574 110 2HG GLU 21 2HG GLU 21 -3.386 12.791 -2.551 111 HE2 GLU 21 HE2 GLU 21 -7.153 12.568 -3.955 112 H ASP 22 H ASP 22 0.001 9.200 -3.700 113 HA ASP 22 HA ASP 22 -0.818 7.668 -5.998 114 2HB ASP 22 2HB ASP 22 1.306 8.034 -7.180 115 HD2 ASP 22 HD2 ASP 22 0.270 11.858 -6.816 116 H ALA 23 H ALA 23 -0.396 5.523 -5.439 117 HA ALA 23 HA ALA 23 1.016 4.962 -3.049 118 1HB ALA 23 1HB ALA 23 -0.943 3.678 -3.809 119 2HB ALA 23 2HB ALA 23 -0.047 3.148 -5.252 120 3HB ALA 23 3HB ALA 23 0.476 2.618 -3.636 121 H ASN 24 H ASN 24 1.778 4.922 -6.540 122 HA ASN 24 HA ASN 24 4.116 3.357 -6.112 123 2HB ASN 24 2HB ASN 24 2.889 3.151 -8.239 124 1HD2 ASN 24 1HD2 ASN 24 4.413 5.189 -10.136 125 H GLY 25 H GLY 25 3.191 6.692 -5.869 126 1HA GLY 25 1HA GLY 25 5.612 7.782 -7.052 127 2HA GLY 25 2HA GLY 25 4.208 8.660 -6.478 128 H CYS 26 H CYS 26 3.962 9.110 -4.164 129 HA CYS 26 HA CYS 26 6.505 9.965 -3.291 130 2HB CYS 26 2HB CYS 26 5.182 10.886 -1.343 131 H ASP 27 H ASP 27 3.920 7.925 -1.706 132 HA ASP 27 HA ASP 27 4.056 6.264 -0.301 133 2HB ASP 27 2HB ASP 27 6.543 5.568 -1.935 134 HD2 ASP 27 HD2 ASP 27 5.077 3.008 0.683 135 H THR 28 H THR 28 4.764 7.968 1.401 136 HA THR 28 HA THR 28 7.392 7.166 2.459 137 HB THR 28 HB THR 28 6.086 9.932 2.333 138 HG1 THR 28 HG1 THR 28 8.624 8.707 1.502 139 1HG2 THR 28 1HG2 THR 28 8.243 10.677 3.439 140 2HG2 THR 28 2HG2 THR 28 7.196 9.736 4.530 141 3HG2 THR 28 3HG2 THR 28 8.613 8.969 3.774 142 H ILE 29 H ILE 29 4.273 8.782 3.382 143 HA ILE 29 HA ILE 29 4.530 7.604 6.012 144 HB ILE 29 HB ILE 29 3.781 9.988 5.454 145 1HG2 ILE 29 1HG2 ILE 29 1.494 10.377 4.929 146 2HG2 ILE 29 2HG2 ILE 29 2.123 9.239 3.714 147 3HG2 ILE 29 3HG2 ILE 29 1.100 8.646 5.046 148 1HD1 ILE 29 1HD1 ILE 29 4.006 10.810 7.659 149 2HD1 ILE 29 2HD1 ILE 29 3.675 9.685 8.998 150 3HD1 ILE 29 3HD1 ILE 29 4.848 9.244 7.734 151 H ILE 30 H ILE 30 3.457 6.609 2.968 152 HA ILE 30 HA ILE 30 1.420 4.862 4.106 153 HB ILE 30 HB ILE 30 2.291 4.902 1.236 154 1HG2 ILE 30 1HG2 ILE 30 0.756 3.135 2.051 155 2HG2 ILE 30 2HG2 ILE 30 -0.402 4.399 2.535 156 3HG2 ILE 30 3HG2 ILE 30 0.022 4.189 0.819 157 1HD1 ILE 30 1HD1 ILE 30 0.366 6.683 3.791 158 2HD1 ILE 30 2HD1 ILE 30 -0.062 8.085 2.781 159 3HD1 ILE 30 3HD1 ILE 30 -0.904 6.533 2.553 160 H GLU 31 H GLU 31 4.696 4.977 4.126 161 HA GLU 31 HA GLU 31 5.579 2.621 3.114 162 2HB GLU 31 2HB GLU 31 6.397 4.053 5.677 163 2HG GLU 31 2HG GLU 31 7.832 1.890 4.067 164 HE2 GLU 31 HE2 GLU 31 9.931 3.437 7.086 165 H GLU 32 H GLU 32 4.030 3.250 6.326 166 HA GLU 32 HA GLU 32 4.275 0.505 7.039 167 2HB GLU 32 2HB GLU 32 2.720 2.761 8.382 168 2HG GLU 32 2HG GLU 32 3.668 0.029 9.369 169 HE2 GLU 32 HE2 GLU 32 1.397 2.295 10.337 170 H CYS 33 H CYS 33 1.725 2.727 5.827 171 HA CYS 33 HA CYS 33 -0.438 1.082 6.416 172 2HB CYS 33 2HB CYS 33 -1.460 2.445 4.413 173 H LYS 34 H LYS 34 1.891 1.226 3.675 174 HA LYS 34 HA LYS 34 0.087 0.138 1.807 175 2HB LYS 34 2HB LYS 34 3.092 0.523 1.760 176 2HG LYS 34 2HG LYS 34 1.231 0.034 -0.603 177 2HD LYS 34 2HD LYS 34 3.636 -0.619 -1.525 178 2HE LYS 34 2HE LYS 34 3.048 2.329 -1.013 179 1HZ LYS 34 1HZ LYS 34 4.016 2.497 -3.238 180 2HZ LYS 34 2HZ LYS 34 5.084 1.772 -2.245 181 H THR 35 H THR 35 3.164 -1.325 3.125 182 HA THR 35 HA THR 35 2.755 -3.645 1.644 183 HB THR 35 HB THR 35 4.449 -3.052 4.127 184 HG1 THR 35 HG1 THR 35 5.097 -1.766 2.368 185 1HG2 THR 35 1HG2 THR 35 4.383 -5.495 3.781 186 2HG2 THR 35 2HG2 THR 35 4.614 -5.279 2.029 187 3HG2 THR 35 3HG2 THR 35 5.929 -4.870 3.158 188 H SER 36 H SER 36 1.544 -2.688 4.828 189 HA SER 36 HA SER 36 1.101 -5.072 5.983 190 2HB SER 36 2HB SER 36 -0.954 -3.971 7.010 191 HG SER 36 HG SER 36 1.073 -1.972 6.971 192 H MET 37 H MET 37 -1.190 -3.350 3.732 193 HA MET 37 HA MET 37 -2.729 -5.799 3.617 194 2HB MET 37 2HB MET 37 -4.434 -4.281 2.507 195 2HG MET 37 2HG MET 37 -4.801 -2.749 4.480 196 1HE MET 37 1HE MET 37 -5.429 -5.194 7.543 197 2HE MET 37 2HE MET 37 -4.006 -4.144 7.347 198 3HE MET 37 3HE MET 37 -5.625 -3.535 6.929 199 H VAL 38 H VAL 38 -0.374 -4.002 1.807 200 HA VAL 38 HA VAL 38 -1.482 -4.779 -0.763 201 HB VAL 38 HB VAL 38 0.801 -3.004 0.107 202 1HG1 VAL 38 1HG1 VAL 38 0.030 -3.989 -2.633 203 2HG1 VAL 38 2HG1 VAL 38 0.735 -2.368 -2.426 204 3HG1 VAL 38 3HG1 VAL 38 1.644 -3.807 -1.906 205 1HG2 VAL 38 1HG2 VAL 38 -1.426 -2.063 0.452 206 2HG2 VAL 38 2HG2 VAL 38 -0.590 -1.215 -0.870 207 3HG2 VAL 38 3HG2 VAL 38 -1.855 -2.410 -1.239 208 H GLU 39 H GLU 39 0.330 -6.271 1.608 209 HA GLU 39 HA GLU 39 2.273 -7.602 0.252 210 2HB GLU 39 2HB GLU 39 0.290 -8.880 2.183 211 2HG GLU 39 2HG GLU 39 1.898 -10.464 1.165 212 HE2 GLU 39 HE2 GLU 39 4.950 -7.916 1.715 213 H ARG 40 H ARG 40 -1.284 -8.329 0.363 214 HA ARG 40 HA ARG 40 -1.058 -10.329 -1.601 215 2HB ARG 40 2HB ARG 40 -3.353 -8.761 -0.375 216 2HG ARG 40 2HG ARG 40 -3.496 -10.742 -2.694 217 2HD ARG 40 2HD ARG 40 -6.029 -10.368 -2.378 218 HE ARG 40 HE ARG 40 -4.330 -12.230 -1.033 219 1HH1 ARG 40 1HH1 ARG 40 -7.604 -10.916 -0.712 220 2HH1 ARG 40 2HH1 ARG 40 -8.251 -12.364 -0.015 221 2HH2 ARG 40 2HH2 ARG 40 -6.814 -14.253 0.309 222 H CYS 41 H CYS 41 -1.782 -6.797 -1.567 223 HA CYS 41 HA CYS 41 -2.830 -6.871 -4.219 224 2HB CYS 41 2HB CYS 41 -2.112 -4.326 -2.819 225 H GLN 42 H GLN 42 0.295 -7.083 -2.965 226 HA GLN 42 HA GLN 42 1.890 -5.805 -4.681 227 2HB GLN 42 2HB GLN 42 1.854 -8.763 -3.958 228 2HG GLN 42 2HG GLN 42 3.963 -7.084 -5.381 229 1HE2 GLN 42 1HE2 GLN 42 3.450 -10.455 -4.339 230 2HE2 GLN 42 2HE2 GLN 42 4.913 -10.627 -3.428 231 H ASN 43 H ASN 43 -0.599 -8.231 -5.462 232 HA ASN 43 HA ASN 43 -0.015 -9.020 -7.917 233 2HB ASN 43 2HB ASN 43 -2.649 -8.305 -8.308 234 1HD2 ASN 43 1HD2 ASN 43 -1.990 -9.966 -5.303 235 H GLN 44 H GLN 44 -1.300 -5.773 -6.935 236 HA GLN 44 HA GLN 44 -0.856 -4.807 -9.618 237 2HB GLN 44 2HB GLN 44 -1.893 -3.341 -7.152 238 2HG GLN 44 2HG GLN 44 -0.913 -2.026 -9.199 239 1HE2 GLN 44 1HE2 GLN 44 -2.385 -0.681 -10.878 240 2HE2 GLN 44 2HE2 GLN 44 -3.064 -1.656 -12.138 241 H GLU 45 H GLU 45 0.163 -3.967 -6.215 242 HA GLU 45 HA GLU 45 1.806 -1.916 -7.246 243 2HB GLU 45 2HB GLU 45 1.618 -3.052 -4.419 244 2HG GLU 45 2HG GLU 45 3.635 -1.666 -4.715 245 HE2 GLU 45 HE2 GLU 45 3.520 0.650 -7.293 246 H PHE 46 H PHE 46 4.113 -1.776 -7.278 247 HA PHE 46 HA PHE 46 5.522 -4.247 -7.395 248 2HB PHE 46 2HB PHE 46 6.384 -1.295 -7.237 249 HD1 PHE 46 HD1 PHE 46 8.626 -0.950 -6.892 250 HD2 PHE 46 HD2 PHE 46 7.408 -4.527 -8.824 251 HE1 PHE 46 HE1 PHE 46 11.025 -1.660 -7.089 252 HE2 PHE 46 HE2 PHE 46 9.808 -5.236 -9.022 253 HZ PHE 46 HZ PHE 46 11.588 -3.795 -8.152 254 H GLU 47 H GLU 47 4.703 -4.837 -5.083 255 HA GLU 47 HA GLU 47 5.739 -3.435 -2.915 256 2HB GLU 47 2HB GLU 47 4.826 -6.337 -3.140 257 2HG GLU 47 2HG GLU 47 6.161 -5.962 -1.080 258 HE2 GLU 47 HE2 GLU 47 6.061 -3.073 0.775 259 H SER 48 H SER 48 6.856 -6.406 -4.661 260 HA SER 48 HA SER 48 9.534 -5.695 -4.008 261 2HB SER 48 2HB SER 48 8.788 -6.996 -1.983 262 HG SER 48 HG SER 48 7.405 -8.508 -3.305 263 H ALA 49 H ALA 49 11.115 -7.137 -5.219 264 HA ALA 49 HA ALA 49 9.941 -8.211 -7.624 265 1HB ALA 49 1HB ALA 49 12.304 -8.568 -8.256 266 2HB ALA 49 2HB ALA 49 12.032 -6.906 -7.683 267 3HB ALA 49 3HB ALA 49 12.813 -8.098 -6.617 268 H ALA 50 H ALA 50 11.374 -9.335 -4.543 269 HA ALA 50 HA ALA 50 10.226 -11.924 -4.952 270 1HB ALA 50 1HB ALA 50 12.265 -12.197 -6.273 271 2HB ALA 50 2HB ALA 50 13.252 -11.578 -4.928 272 3HB ALA 50 3HB ALA 50 12.401 -13.132 -4.764 273 H GLY 51 H GLY 51 10.581 -13.308 -2.960 274 1HA GLY 51 1HA GLY 51 10.809 -13.578 -0.720 275 2HA GLY 51 2HA GLY 51 11.642 -12.040 -0.614 276 H SER 52 H SER 52 8.356 -13.506 -1.047 277 HA SER 52 HA SER 52 7.171 -11.472 0.511 278 2HB SER 52 2HB SER 52 7.196 -11.227 -2.468 279 HG SER 52 HG SER 52 4.919 -10.214 -1.053 280 H THR 53 H THR 53 4.687 -11.784 0.534 281 HA THR 53 HA THR 53 3.054 -13.274 0.991 282 HB THR 53 HB THR 53 2.431 -14.422 -1.352 283 HG1 THR 53 HG1 THR 53 4.307 -12.281 -2.021 284 1HG2 THR 53 1HG2 THR 53 2.630 -11.392 -0.948 285 2HG2 THR 53 2HG2 THR 53 1.712 -12.171 -2.259 286 3HG2 THR 53 3HG2 THR 53 1.225 -12.414 -0.564 287 H THR 54 H THR 54 5.241 -14.331 2.165 288 HA THR 54 HA THR 54 5.195 -17.152 1.424 289 HB THR 54 HB THR 54 6.610 -15.673 3.703 290 HG1 THR 54 HG1 THR 54 8.303 -15.569 2.116 291 1HG2 THR 54 1HG2 THR 54 6.504 -18.191 3.927 292 2HG2 THR 54 2HG2 THR 54 7.216 -18.329 2.301 293 3HG2 THR 54 3HG2 THR 54 8.156 -17.601 3.625 294 H LEU 55 H LEU 55 4.334 -15.061 4.259 295 HA LEU 55 HA LEU 55 2.184 -16.981 4.771 296 2HB LEU 55 2HB LEU 55 2.628 -16.588 7.235 297 HG LEU 55 HG LEU 55 4.640 -18.137 5.591 298 1HD1 LEU 55 1HD1 LEU 55 5.738 -17.494 7.661 299 2HD1 LEU 55 2HD1 LEU 55 4.353 -18.086 8.607 300 3HD1 LEU 55 3HD1 LEU 55 5.348 -19.231 7.676 301 1HD2 LEU 55 1HD2 LEU 55 2.450 -19.064 5.424 302 2HD2 LEU 55 2HD2 LEU 55 3.378 -20.086 6.548 303 3HD2 LEU 55 3HD2 LEU 55 2.187 -18.923 7.179 304 H GLY 56 H GLY 56 1.787 -14.761 3.217 305 1HA GLY 56 1HA GLY 56 1.099 -12.490 4.889 306 2HA GLY 56 2HA GLY 56 0.988 -12.613 3.144 307 HA PRO 57 HA PRO 57 -3.245 -13.034 4.702 308 2HB PRO 57 2HB PRO 57 -3.814 -10.805 4.806 309 2HG PRO 57 2HG PRO 57 -2.270 -9.372 3.866 310 2HD PRO 57 2HD PRO 57 -0.371 -10.657 4.024 311 H GLN 58 H GLN 58 -1.593 -13.488 1.870 312 HA GLN 58 HA GLN 58 -3.411 -14.166 0.042 313 2HB GLN 58 2HB GLN 58 -0.958 -14.427 -0.222 314 2HG GLN 58 2HG GLN 58 -1.065 -17.160 1.025 315 1HE2 GLN 58 1HE2 GLN 58 0.523 -17.337 -0.675 316 2HE2 GLN 58 2HE2 GLN 58 2.139 -16.768 -0.419 Start of MODEL 20 1 1H ASP 1 1H ASP 1 -13.585 -3.608 -7.558 2 HA ASP 1 HA ASP 1 -11.411 -4.986 -6.343 3 2HB ASP 1 2HB ASP 1 -12.402 -7.260 -6.722 4 HD2 ASP 1 HD2 ASP 1 -14.975 -6.682 -3.934 5 H GLN 2 H GLN 2 -10.333 -6.442 -8.033 6 HA GLN 2 HA GLN 2 -11.265 -6.272 -10.694 7 2HB GLN 2 2HB GLN 2 -8.889 -4.535 -9.893 8 2HG GLN 2 2HG GLN 2 -8.468 -5.675 -12.055 9 1HE2 GLN 2 1HE2 GLN 2 -10.969 -3.296 -12.830 10 2HE2 GLN 2 2HE2 GLN 2 -11.944 -4.308 -13.842 11 H ASN 3 H ASN 3 -8.312 -6.559 -8.598 12 HA ASN 3 HA ASN 3 -8.018 -9.218 -9.703 13 2HB ASN 3 2HB ASN 3 -6.253 -8.306 -10.936 14 1HD2 ASN 3 1HD2 ASN 3 -4.730 -7.032 -8.108 15 H CYS 4 H CYS 4 -6.704 -6.756 -7.304 16 HA CYS 4 HA CYS 4 -7.945 -8.519 -5.351 17 2HB CYS 4 2HB CYS 4 -5.183 -7.336 -5.115 18 H ASP 5 H ASP 5 -6.048 -5.566 -4.602 19 HA ASP 5 HA ASP 5 -8.227 -3.869 -4.353 20 2HB ASP 5 2HB ASP 5 -8.390 -4.086 -1.771 21 HD2 ASP 5 HD2 ASP 5 -11.355 -5.317 -3.330 22 H ILE 6 H ILE 6 -5.886 -3.086 -5.215 23 HA ILE 6 HA ILE 6 -3.820 -2.926 -3.274 24 HB ILE 6 HB ILE 6 -2.681 -1.592 -5.033 25 1HG2 ILE 6 1HG2 ILE 6 -2.580 -4.083 -4.869 26 2HG2 ILE 6 2HG2 ILE 6 -3.886 -4.166 -6.075 27 3HG2 ILE 6 3HG2 ILE 6 -2.321 -3.441 -6.510 28 1HD1 ILE 6 1HD1 ILE 6 -2.734 -1.523 -7.792 29 2HD1 ILE 6 2HD1 ILE 6 -3.975 -0.287 -8.110 30 3HD1 ILE 6 3HD1 ILE 6 -2.796 -0.048 -6.799 31 H GLY 7 H GLY 7 -6.637 -0.983 -4.041 32 1HA GLY 7 1HA GLY 7 -5.221 1.498 -3.328 33 2HA GLY 7 2HA GLY 7 -6.658 1.362 -4.322 34 H ASN 8 H ASN 8 -7.014 -0.835 -1.738 35 HA ASN 8 HA ASN 8 -9.367 0.593 -1.235 36 2HB ASN 8 2HB ASN 8 -8.921 -1.994 -1.217 37 1HD2 ASN 8 1HD2 ASN 8 -6.847 -2.604 -0.581 38 H ILE 9 H ILE 9 -6.251 0.069 0.451 39 HA ILE 9 HA ILE 9 -7.295 1.157 2.929 40 HB ILE 9 HB ILE 9 -5.823 -0.875 2.785 41 1HG2 ILE 9 1HG2 ILE 9 -3.626 1.146 2.272 42 2HG2 ILE 9 2HG2 ILE 9 -3.445 -0.610 2.500 43 3HG2 ILE 9 3HG2 ILE 9 -4.279 0.019 1.059 44 1HD1 ILE 9 1HD1 ILE 9 -6.257 -0.136 6.191 45 2HD1 ILE 9 2HD1 ILE 9 -7.228 0.879 5.098 46 3HD1 ILE 9 3HD1 ILE 9 -6.964 -0.840 4.718 47 H THR 10 H THR 10 -5.189 2.021 0.171 48 HA THR 10 HA THR 10 -4.003 4.222 1.587 49 HB THR 10 HB THR 10 -3.055 4.561 -0.835 50 HG1 THR 10 HG1 THR 10 -3.537 2.653 -2.149 51 1HG2 THR 10 1HG2 THR 10 -2.008 3.099 1.111 52 2HG2 THR 10 2HG2 THR 10 -2.630 1.723 0.168 53 3HG2 THR 10 3HG2 THR 10 -1.444 2.835 -0.556 54 H SER 11 H SER 11 -6.872 3.713 -0.381 55 HA SER 11 HA SER 11 -7.488 6.262 -1.053 56 2HB SER 11 2HB SER 11 -9.270 4.124 0.191 57 HG SER 11 HG SER 11 -10.495 6.003 0.250 58 H GLN 12 H GLN 12 -7.431 4.709 2.181 59 HA GLN 12 HA GLN 12 -8.711 6.971 3.375 60 2HB GLN 12 2HB GLN 12 -7.413 4.577 4.744 61 2HG GLN 12 2HG GLN 12 -9.534 6.610 5.567 62 1HE2 GLN 12 1HE2 GLN 12 -11.100 4.895 5.661 63 2HE2 GLN 12 2HE2 GLN 12 -11.131 3.804 7.006 64 H CYS 13 H CYS 13 -5.424 5.630 2.959 65 HA CYS 13 HA CYS 13 -4.355 7.048 5.168 66 2HB CYS 13 2HB CYS 13 -2.226 6.169 4.476 67 H GLN 14 H GLN 14 -4.508 7.472 1.576 68 HA GLN 14 HA GLN 14 -2.309 9.150 1.478 69 2HB GLN 14 2HB GLN 14 -3.360 9.760 -0.840 70 2HG GLN 14 2HG GLN 14 -2.779 6.871 -0.032 71 1HE2 GLN 14 1HE2 GLN 14 -4.743 6.663 -1.546 72 2HE2 GLN 14 2HE2 GLN 14 -4.396 6.477 -3.233 73 H MET 15 H MET 15 -5.865 9.866 1.430 74 HA MET 15 HA MET 15 -5.569 12.602 1.147 75 2HB MET 15 2HB MET 15 -7.688 11.236 0.832 76 2HG MET 15 2HG MET 15 -7.888 11.369 3.876 77 1HE MET 15 1HE MET 15 -10.109 10.571 4.961 78 2HE MET 15 2HE MET 15 -11.109 9.313 4.196 79 3HE MET 15 3HE MET 15 -9.394 8.994 4.548 80 H GLN 16 H GLN 16 -5.009 10.509 3.885 81 HA GLN 16 HA GLN 16 -5.744 12.511 5.796 82 2HB GLN 16 2HB GLN 16 -4.515 9.743 6.170 83 2HG GLN 16 2HG GLN 16 -5.574 11.846 8.081 84 1HE2 GLN 16 1HE2 GLN 16 -4.632 8.406 8.072 85 2HE2 GLN 16 2HE2 GLN 16 -5.837 7.845 9.181 86 H HIS 17 H HIS 17 -2.757 10.870 4.585 87 HA HIS 17 HA HIS 17 -1.171 13.015 5.669 88 2HB HIS 17 2HB HIS 17 -1.084 11.822 7.639 89 HD1 HIS 17 HD1 HIS 17 -1.652 9.767 9.010 90 HD2 HIS 17 HD2 HIS 17 -1.179 8.920 4.929 91 HE1 HIS 17 HE1 HIS 17 -2.393 7.347 8.692 92 H LYS 18 H LYS 18 -1.823 12.163 2.947 93 HA LYS 18 HA LYS 18 1.048 12.217 2.350 94 2HB LYS 18 2HB LYS 18 0.430 11.348 0.054 95 2HG LYS 18 2HG LYS 18 0.207 8.954 0.875 96 2HD LYS 18 2HD LYS 18 2.362 8.906 2.050 97 2HE LYS 18 2HE LYS 18 3.735 10.158 0.486 98 1HZ LYS 18 1HZ LYS 18 2.136 8.398 -0.429 99 2HZ LYS 18 2HZ LYS 18 1.252 9.628 -1.028 100 H ASN 19 H ASN 19 1.553 14.387 1.944 101 HA ASN 19 HA ASN 19 -0.060 15.996 0.349 102 2HB ASN 19 2HB ASN 19 1.941 16.920 1.400 103 1HD2 ASN 19 1HD2 ASN 19 3.968 16.323 -1.160 104 H CYS 20 H CYS 20 -0.249 16.091 -1.976 105 HA CYS 20 HA CYS 20 0.355 15.778 -4.094 106 2HB CYS 20 2HB CYS 20 2.708 15.105 -2.930 107 H GLU 21 H GLU 21 0.328 12.721 -2.051 108 HA GLU 21 HA GLU 21 -1.496 11.605 -1.623 109 2HB GLU 21 2HB GLU 21 -3.057 13.063 -3.780 110 2HG GLU 21 2HG GLU 21 -3.776 12.025 -0.997 111 HE2 GLU 21 HE2 GLU 21 -6.117 11.593 -1.293 112 H ASP 22 H ASP 22 0.416 10.475 -3.256 113 HA ASP 22 HA ASP 22 -1.245 8.951 -5.084 114 2HB ASP 22 2HB ASP 22 0.301 9.121 -6.874 115 HD2 ASP 22 HD2 ASP 22 -1.066 12.520 -6.406 116 H ALA 23 H ALA 23 -0.303 6.704 -5.459 117 HA ALA 23 HA ALA 23 1.813 5.946 -3.633 118 1HB ALA 23 1HB ALA 23 -0.102 4.437 -4.134 119 2HB ALA 23 2HB ALA 23 0.400 4.394 -5.840 120 3HB ALA 23 3HB ALA 23 1.461 3.714 -4.584 121 H ASN 24 H ASN 24 3.609 4.482 -4.843 122 HA ASN 24 HA ASN 24 5.594 4.918 -5.683 123 2HB ASN 24 2HB ASN 24 4.599 3.699 -7.548 124 1HD2 ASN 24 1HD2 ASN 24 2.370 3.796 -7.593 125 H GLY 25 H GLY 25 4.580 7.300 -4.495 126 1HA GLY 25 1HA GLY 25 6.106 9.297 -5.827 127 2HA GLY 25 2HA GLY 25 4.391 9.565 -6.064 128 H CYS 26 H CYS 26 6.990 10.295 -4.073 129 HA CYS 26 HA CYS 26 7.057 11.594 -2.292 130 2HB CYS 26 2HB CYS 26 5.167 12.659 -1.360 131 H ASP 27 H ASP 27 6.644 8.443 -2.470 132 HA ASP 27 HA ASP 27 4.883 7.672 -0.547 133 2HB ASP 27 2HB ASP 27 6.328 5.499 -0.540 134 HD2 ASP 27 HD2 ASP 27 6.575 4.305 -2.543 135 H THR 28 H THR 28 4.992 8.096 1.664 136 HA THR 28 HA THR 28 7.618 7.795 2.954 137 HB THR 28 HB THR 28 5.545 10.019 3.314 138 HG1 THR 28 HG1 THR 28 7.053 10.338 1.580 139 1HG2 THR 28 1HG2 THR 28 7.201 10.961 4.938 140 2HG2 THR 28 2HG2 THR 28 6.540 9.417 5.526 141 3HG2 THR 28 3HG2 THR 28 8.167 9.473 4.805 142 H ILE 29 H ILE 29 4.154 8.375 3.873 143 HA ILE 29 HA ILE 29 4.504 6.360 5.938 144 HB ILE 29 HB ILE 29 3.479 8.688 6.253 145 1HG2 ILE 29 1HG2 ILE 29 1.154 8.974 5.770 146 2HG2 ILE 29 2HG2 ILE 29 1.978 8.516 4.260 147 3HG2 ILE 29 3HG2 ILE 29 1.018 7.311 5.151 148 1HD1 ILE 29 1HD1 ILE 29 3.371 6.972 9.387 149 2HD1 ILE 29 2HD1 ILE 29 4.596 7.053 8.098 150 3HD1 ILE 29 3HD1 ILE 29 3.722 8.524 8.590 151 H ILE 30 H ILE 30 3.157 6.804 2.731 152 HA ILE 30 HA ILE 30 1.150 4.848 2.877 153 HB ILE 30 HB ILE 30 1.632 6.734 1.157 154 1HG2 ILE 30 1HG2 ILE 30 2.983 4.460 -0.303 155 2HG2 ILE 30 2HG2 ILE 30 2.822 6.162 -0.800 156 3HG2 ILE 30 3HG2 ILE 30 3.884 5.729 0.560 157 1HD1 ILE 30 1HD1 ILE 30 0.383 6.709 -0.975 158 2HD1 ILE 30 2HD1 ILE 30 0.889 5.147 -1.664 159 3HD1 ILE 30 3HD1 ILE 30 -0.818 5.421 -1.240 160 H GLU 31 H GLU 31 4.629 4.682 2.816 161 HA GLU 31 HA GLU 31 4.998 2.334 1.450 162 2HB GLU 31 2HB GLU 31 6.531 3.447 3.841 163 2HG GLU 31 2HG GLU 31 7.317 1.379 1.733 164 HE2 GLU 31 HE2 GLU 31 8.821 2.893 1.222 165 H GLU 32 H GLU 32 4.184 2.921 4.918 166 HA GLU 32 HA GLU 32 4.133 0.099 5.408 167 2HB GLU 32 2HB GLU 32 3.334 2.441 7.192 168 2HG GLU 32 2HG GLU 32 3.905 -0.498 7.794 169 HE2 GLU 32 HE2 GLU 32 3.318 1.952 10.919 170 H CYS 33 H CYS 33 1.832 2.824 4.922 171 HA CYS 33 HA CYS 33 -0.348 1.502 6.068 172 2HB CYS 33 2HB CYS 33 -0.726 3.622 3.993 173 H LYS 34 H LYS 34 1.155 1.533 2.848 174 HA LYS 34 HA LYS 34 -1.109 0.353 1.548 175 2HB LYS 34 2HB LYS 34 1.737 0.563 0.538 176 2HG LYS 34 2HG LYS 34 -1.009 0.375 -0.784 177 2HD LYS 34 2HD LYS 34 1.383 0.281 -2.511 178 2HE LYS 34 2HE LYS 34 0.005 1.751 -3.918 179 1HZ LYS 34 1HZ LYS 34 -0.722 -0.739 -3.243 180 2HZ LYS 34 2HZ LYS 34 -2.088 0.052 -2.841 181 H THR 35 H THR 35 2.250 -0.810 2.363 182 HA THR 35 HA THR 35 1.821 -3.313 1.227 183 HB THR 35 HB THR 35 3.756 -2.620 3.491 184 HG1 THR 35 HG1 THR 35 3.692 -2.092 0.604 185 1HG2 THR 35 1HG2 THR 35 5.299 -4.037 2.107 186 2HG2 THR 35 2HG2 THR 35 3.885 -4.966 2.660 187 3HG2 THR 35 3HG2 THR 35 3.960 -4.371 0.983 188 H SER 36 H SER 36 0.980 -2.048 4.427 189 HA SER 36 HA SER 36 0.786 -4.250 5.911 190 2HB SER 36 2HB SER 36 -1.406 -3.141 6.823 191 HG SER 36 HG SER 36 0.914 -1.425 6.631 192 H MET 37 H MET 37 -1.775 -3.070 3.605 193 HA MET 37 HA MET 37 -3.127 -5.600 3.980 194 2HB MET 37 2HB MET 37 -4.987 -4.407 2.729 195 2HG MET 37 2HG MET 37 -5.379 -2.590 4.439 196 1HE MET 37 1HE MET 37 -6.000 -3.002 7.045 197 2HE MET 37 2HE MET 37 -5.669 -4.528 7.900 198 3HE MET 37 3HE MET 37 -4.326 -3.451 7.448 199 H VAL 38 H VAL 38 -0.988 -3.997 1.758 200 HA VAL 38 HA VAL 38 -2.259 -5.178 -0.575 201 HB VAL 38 HB VAL 38 -0.130 -3.086 -0.142 202 1HG1 VAL 38 1HG1 VAL 38 -0.958 -4.482 -2.688 203 2HG1 VAL 38 2HG1 VAL 38 -0.331 -2.816 -2.705 204 3HG1 VAL 38 3HG1 VAL 38 0.677 -4.141 -2.074 205 1HG2 VAL 38 1HG2 VAL 38 -2.304 -2.196 0.209 206 2HG2 VAL 38 2HG2 VAL 38 -1.830 -1.699 -1.432 207 3HG2 VAL 38 3HG2 VAL 38 -2.966 -3.050 -1.206 208 H GLU 39 H GLU 39 -0.075 -6.139 1.760 209 HA GLU 39 HA GLU 39 2.029 -7.214 0.475 210 2HB GLU 39 2HB GLU 39 0.404 -8.740 2.549 211 2HG GLU 39 2HG GLU 39 2.846 -9.313 1.316 212 HE2 GLU 39 HE2 GLU 39 4.021 -7.532 1.387 213 H ARG 40 H ARG 40 -1.354 -8.463 0.591 214 HA ARG 40 HA ARG 40 -0.526 -10.772 -0.898 215 2HB ARG 40 2HB ARG 40 -2.174 -10.920 1.018 216 2HG ARG 40 2HG ARG 40 -3.378 -8.723 -0.213 217 2HD ARG 40 2HD ARG 40 -4.412 -10.228 -1.923 218 HE ARG 40 HE ARG 40 -4.983 -11.898 0.379 219 1HH1 ARG 40 1HH1 ARG 40 -6.363 -10.908 -2.728 220 2HH1 ARG 40 2HH1 ARG 40 -7.174 -12.415 -2.991 221 2HH2 ARG 40 2HH2 ARG 40 -7.014 -14.138 -1.332 222 H CYS 41 H CYS 41 -1.703 -7.578 -1.460 223 HA CYS 41 HA CYS 41 -2.852 -8.327 -4.027 224 2HB CYS 41 2HB CYS 41 -3.679 -6.076 -4.163 225 H GLN 42 H GLN 42 0.106 -8.440 -3.131 226 HA GLN 42 HA GLN 42 1.467 -6.229 -3.979 227 2HB GLN 42 2HB GLN 42 2.337 -9.152 -3.991 228 2HG GLN 42 2HG GLN 42 4.602 -7.753 -3.482 229 1HE2 GLN 42 1HE2 GLN 42 5.995 -7.389 -5.529 230 2HE2 GLN 42 2HE2 GLN 42 5.807 -8.558 -6.795 231 H ASN 43 H ASN 43 -0.103 -8.771 -5.846 232 HA ASN 43 HA ASN 43 1.542 -9.139 -7.909 233 2HB ASN 43 2HB ASN 43 -1.477 -8.737 -8.222 234 1HD2 ASN 43 1HD2 ASN 43 -1.247 -8.317 -10.404 235 H GLN 44 H GLN 44 -0.865 -6.451 -7.451 236 HA GLN 44 HA GLN 44 -0.340 -5.601 -10.153 237 2HB GLN 44 2HB GLN 44 -2.278 -4.010 -8.605 238 2HG GLN 44 2HG GLN 44 -2.031 -4.245 -11.161 239 1HE2 GLN 44 1HE2 GLN 44 -2.982 -5.372 -12.982 240 2HE2 GLN 44 2HE2 GLN 44 -3.043 -7.103 -12.992 241 H GLU 45 H GLU 45 0.197 -4.623 -6.778 242 HA GLU 45 HA GLU 45 1.020 -2.002 -7.467 243 2HB GLU 45 2HB GLU 45 1.650 -3.564 -4.927 244 2HG GLU 45 2HG GLU 45 0.992 -0.728 -4.674 245 HE2 GLU 45 HE2 GLU 45 2.860 -2.145 -1.989 246 H PHE 46 H PHE 46 2.422 -5.119 -7.855 247 HA PHE 46 HA PHE 46 4.441 -5.974 -7.289 248 2HB PHE 46 2HB PHE 46 4.754 -5.517 -9.618 249 HD1 PHE 46 HD1 PHE 46 2.827 -4.165 -10.384 250 HD2 PHE 46 HD2 PHE 46 6.385 -2.346 -8.955 251 HE1 PHE 46 HE1 PHE 46 2.140 -1.993 -11.438 252 HE2 PHE 46 HE2 PHE 46 5.698 -0.175 -10.009 253 HZ PHE 46 HZ PHE 46 3.584 -0.023 -11.239 254 H GLU 47 H GLU 47 3.942 -4.434 -5.044 255 HA GLU 47 HA GLU 47 5.981 -2.964 -4.146 256 2HB GLU 47 2HB GLU 47 5.131 -5.575 -2.827 257 2HG GLU 47 2HG GLU 47 7.007 -4.054 -1.846 258 HE2 GLU 47 HE2 GLU 47 7.445 -2.104 -1.277 259 H SER 48 H SER 48 8.226 -3.160 -3.822 260 HA SER 48 HA SER 48 10.185 -3.688 -4.593 261 2HB SER 48 2HB SER 48 10.972 -6.005 -4.383 262 HG SER 48 HG SER 48 10.180 -6.471 -2.215 263 H ALA 49 H ALA 49 10.191 -2.910 -6.733 264 HA ALA 49 HA ALA 49 8.428 -4.132 -8.623 265 1HB ALA 49 1HB ALA 49 8.738 -1.690 -8.468 266 2HB ALA 49 2HB ALA 49 10.458 -1.876 -8.887 267 3HB ALA 49 3HB ALA 49 9.201 -2.290 -10.078 268 H ALA 50 H ALA 50 9.468 -6.324 -8.540 269 HA ALA 50 HA ALA 50 11.931 -6.492 -10.059 270 1HB ALA 50 1HB ALA 50 11.505 -8.020 -8.164 271 2HB ALA 50 2HB ALA 50 10.045 -8.627 -8.980 272 3HB ALA 50 3HB ALA 50 11.648 -8.917 -9.696 273 H GLY 51 H GLY 51 12.046 -7.631 -12.131 274 1HA GLY 51 1HA GLY 51 9.946 -6.872 -13.905 275 2HA GLY 51 2HA GLY 51 11.391 -7.787 -14.286 276 H SER 52 H SER 52 8.164 -8.087 -12.668 277 HA SER 52 HA SER 52 7.735 -10.570 -13.947 278 2HB SER 52 2HB SER 52 8.609 -10.493 -11.071 279 HG SER 52 HG SER 52 6.907 -12.597 -12.070 280 H THR 53 H THR 53 6.845 -8.656 -10.974 281 HA THR 53 HA THR 53 4.879 -7.992 -10.174 282 HB THR 53 HB THR 53 4.749 -7.511 -12.924 283 HG1 THR 53 HG1 THR 53 2.840 -7.118 -10.727 284 1HG2 THR 53 1HG2 THR 53 3.166 -9.656 -12.888 285 2HG2 THR 53 2HG2 THR 53 2.013 -8.541 -12.114 286 3HG2 THR 53 3HG2 THR 53 2.637 -8.188 -13.743 287 H THR 54 H THR 54 5.729 -11.001 -10.717 288 HA THR 54 HA THR 54 4.999 -12.902 -9.801 289 HB THR 54 HB THR 54 2.419 -11.496 -8.983 290 HG1 THR 54 HG1 THR 54 3.709 -10.545 -7.330 291 1HG2 THR 54 1HG2 THR 54 2.749 -13.947 -8.403 292 2HG2 THR 54 2HG2 THR 54 4.241 -13.494 -7.545 293 3HG2 THR 54 3HG2 THR 54 2.666 -12.895 -6.970 294 H LEU 55 H LEU 55 1.989 -11.313 -11.072 295 HA LEU 55 HA LEU 55 1.882 -13.305 -13.158 296 2HB LEU 55 2HB LEU 55 -0.293 -13.163 -11.067 297 HG LEU 55 HG LEU 55 -1.028 -13.836 -13.392 298 1HD1 LEU 55 1HD1 LEU 55 0.895 -16.109 -12.861 299 2HD1 LEU 55 2HD1 LEU 55 -0.409 -16.178 -14.070 300 3HD1 LEU 55 3HD1 LEU 55 0.889 -14.970 -14.228 301 1HD2 LEU 55 1HD2 LEU 55 -1.246 -15.899 -11.183 302 2HD2 LEU 55 2HD2 LEU 55 -2.285 -14.471 -11.408 303 3HD2 LEU 55 3HD2 LEU 55 -2.305 -15.785 -12.610 304 H GLY 56 H GLY 56 0.351 -12.730 -14.839 305 1HA GLY 56 1HA GLY 56 -0.801 -10.024 -14.509 306 2HA GLY 56 2HA GLY 56 -0.133 -10.625 -16.013 307 HA PRO 57 HA PRO 57 -4.349 -12.698 -15.248 308 2HB PRO 57 2HB PRO 57 -5.031 -12.985 -13.067 309 2HG PRO 57 2HG PRO 57 -3.898 -11.699 -11.525 310 2HD PRO 57 2HD PRO 57 -1.934 -11.333 -12.663 311 H GLN 58 H GLN 58 -6.363 -12.285 -16.308 312 HA GLN 58 HA GLN 58 -7.496 -11.181 -17.802 313 2HB GLN 58 2HB GLN 58 -8.287 -8.879 -17.144 314 2HG GLN 58 2HG GLN 58 -8.181 -10.867 -14.826 315 1HE2 GLN 58 1HE2 GLN 58 -8.218 -8.951 -13.498 316 2HE2 GLN 58 2HE2 GLN 58 -9.696 -8.085 -13.244
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