NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
2469 | 1byv | 4260 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H CYS 1 1H CYS 1 1.693 -15.023 8.172 2 2H CYS 1 2H CYS 1 2.107 -14.109 9.481 3 3H CYS 1 3H CYS 1 1.747 -13.379 8.046 4 HA CYS 1 HA CYS 1 3.621 -14.352 6.999 5 1HB CYS 1 1HB CYS 1 4.109 -12.717 9.497 6 2HB CYS 1 2HB CYS 1 5.414 -13.194 8.416 7 H SER 2 H SER 2 5.753 -15.271 7.285 8 HA SER 2 HA SER 2 6.319 -16.946 9.597 9 1HB SER 2 1HB SER 2 4.757 -18.393 8.294 10 2HB SER 2 2HB SER 2 5.837 -18.252 6.892 11 HG SER 2 HG SER 2 6.222 -20.135 8.123 12 H ASN 3 H ASN 3 7.136 -15.781 6.331 13 HA ASN 3 HA ASN 3 9.783 -16.781 6.225 14 1HB ASN 3 1HB ASN 3 9.234 -14.178 4.870 15 2HB ASN 3 2HB ASN 3 10.028 -15.625 4.272 16 1HD2 ASN 3 1HD2 ASN 3 7.117 -13.839 4.609 17 H LEU 4 H LEU 4 8.469 -13.637 7.296 18 HA LEU 4 HA LEU 4 9.293 -11.861 8.390 19 1HB LEU 4 1HB LEU 4 11.446 -13.673 9.531 20 2HB LEU 4 2HB LEU 4 10.880 -12.127 10.166 21 HG LEU 4 HG LEU 4 9.265 -14.713 10.017 22 1HD1 LEU 4 1HD1 LEU 4 11.033 -14.691 11.735 23 2HD1 LEU 4 2HD1 LEU 4 10.392 -13.165 12.383 24 3HD1 LEU 4 3HD1 LEU 4 9.416 -14.649 12.462 25 1HD2 LEU 4 1HD2 LEU 4 8.484 -11.964 11.087 26 2HD2 LEU 4 2HD2 LEU 4 7.721 -12.830 9.733 27 3HD2 LEU 4 3HD2 LEU 4 7.578 -13.464 11.374 28 H SER 5 H SER 5 9.914 -12.097 5.766 29 HA SER 5 HA SER 5 12.090 -10.258 5.455 30 1HB SER 5 1HB SER 5 13.500 -12.262 5.632 31 2HB SER 5 2HB SER 5 12.506 -13.116 4.441 32 HG SER 5 HG SER 5 14.386 -12.185 3.536 33 H THR 6 H THR 6 10.613 -12.892 3.494 34 HA THR 6 HA THR 6 9.647 -11.187 1.382 35 HB THR 6 HB THR 6 8.936 -14.001 2.279 36 HG1 THR 6 HG1 THR 6 10.237 -14.517 0.499 37 1HG2 THR 6 1HG2 THR 6 8.159 -12.546 -0.280 38 2HG2 THR 6 2HG2 THR 6 7.962 -14.288 0.022 39 3HG2 THR 6 3HG2 THR 6 7.045 -13.123 0.976 40 H CYS 7 H CYS 7 8.442 -12.222 4.553 41 HA CYS 7 HA CYS 7 5.769 -11.320 4.489 42 1HB CYS 7 1HB CYS 7 6.652 -12.534 6.376 43 2HB CYS 7 2HB CYS 7 7.897 -11.312 6.636 44 H VAL 8 H VAL 8 8.757 -9.569 5.464 45 HA VAL 8 HA VAL 8 7.508 -7.095 5.956 46 HB VAL 8 HB VAL 8 10.415 -7.746 5.299 47 1HG1 VAL 8 1HG2 VAL 8 9.169 -5.269 6.566 48 2HG1 VAL 8 2HG2 VAL 8 10.907 -5.637 6.540 49 3HG1 VAL 8 3HG2 VAL 8 10.052 -5.347 5.023 50 1HG2 VAL 8 1HG1 VAL 8 8.950 -7.470 7.960 51 2HG2 VAL 8 2HG1 VAL 8 9.596 -8.978 7.279 52 3HG2 VAL 8 3HG1 VAL 8 10.700 -7.688 7.762 53 H LEU 9 H LEU 9 9.485 -8.118 3.132 54 HA LEU 9 HA LEU 9 9.225 -5.763 1.614 55 1HB LEU 9 1HB LEU 9 9.636 -8.658 0.784 56 2HB LEU 9 2HB LEU 9 9.840 -7.287 -0.311 57 HG LEU 9 HG LEU 9 11.442 -7.591 2.272 58 1HD1 LEU 9 1HD1 LEU 9 11.876 -9.507 0.786 59 2HD1 LEU 9 2HD1 LEU 9 12.192 -8.398 -0.566 60 3HD1 LEU 9 3HD1 LEU 9 13.271 -8.416 0.846 61 1HD2 LEU 9 1HD2 LEU 9 11.838 -5.863 -0.212 62 2HD2 LEU 9 2HD2 LEU 9 11.394 -5.283 1.409 63 3HD2 LEU 9 3HD2 LEU 9 12.982 -6.007 1.137 64 H GLY 10 H GLY 10 7.250 -8.770 1.508 65 1HA GLY 10 1HA GLY 10 5.528 -8.000 -0.603 66 2HA GLY 10 2HA GLY 10 5.194 -9.206 0.646 67 H LYS 11 H LYS 11 5.251 -7.598 2.961 68 HA LYS 11 HA LYS 11 2.600 -6.634 3.019 69 1HB LYS 11 1HB LYS 11 3.805 -7.561 4.923 70 2HB LYS 11 2HB LYS 11 4.887 -6.153 4.970 71 1HG LYS 11 1HG LYS 11 2.832 -4.714 5.358 72 2HG LYS 11 2HG LYS 11 1.873 -6.196 5.446 73 1HD LYS 11 1HD LYS 11 4.156 -5.326 7.275 74 2HD LYS 11 2HD LYS 11 2.439 -5.399 7.684 75 1HE LYS 11 1HE LYS 11 4.291 -7.764 7.142 76 2HE LYS 11 2HE LYS 11 3.597 -7.276 8.689 77 1HZ LYS 11 1HZ LYS 11 1.431 -7.742 7.813 78 2HZ LYS 11 2HZ LYS 11 2.073 -8.218 6.370 79 3HZ LYS 11 3HZ LYS 11 2.398 -9.076 7.739 80 H LEU 12 H LEU 12 5.722 -4.773 3.155 81 HA LEU 12 HA LEU 12 4.385 -2.256 3.126 82 1HB LEU 12 1HB LEU 12 6.523 -1.235 2.950 83 2HB LEU 12 2HB LEU 12 6.550 -2.571 4.092 84 HG LEU 12 HG LEU 12 7.496 -3.932 2.000 85 1HD1 LEU 12 1HD1 LEU 12 8.402 -1.073 1.404 86 2HD1 LEU 12 2HD1 LEU 12 9.015 -2.547 0.631 87 3HD1 LEU 12 3HD1 LEU 12 7.351 -2.032 0.352 88 1HD2 LEU 12 1HD2 LEU 12 8.643 -3.564 4.160 89 2HD2 LEU 12 2HD2 LEU 12 9.765 -3.415 2.797 90 3HD2 LEU 12 3HD2 LEU 12 9.158 -1.957 3.613 91 H SER 13 H SER 13 5.579 -4.341 0.485 92 HA SER 13 HA SER 13 5.324 -2.416 -1.606 93 1HB SER 13 1HB SER 13 6.591 -4.497 -1.844 94 2HB SER 13 2HB SER 13 5.100 -5.454 -1.687 95 HG SER 13 HG SER 13 5.706 -5.089 -3.859 96 H GLN 14 H GLN 14 3.080 -4.944 -0.376 97 HA GLN 14 HA GLN 14 0.873 -4.382 -2.033 98 1HB GLN 14 1HB GLN 14 1.166 -6.417 -0.693 99 2HB GLN 14 2HB GLN 14 0.960 -5.490 0.804 100 1HG GLN 14 1HG GLN 14 -1.348 -4.892 0.121 101 2HG GLN 14 2HG GLN 14 -1.132 -5.775 -1.400 102 1HE2 GLN 14 2HE2 GLN 14 -0.517 -8.163 -1.152 103 2HE2 GLN 14 1HE2 GLN 14 -1.281 -9.045 0.153 104 H GLU 15 H GLU 15 1.825 -3.009 1.151 105 HA GLU 15 HA GLU 15 -0.476 -1.425 1.596 106 1HB GLU 15 1HB GLU 15 1.142 -1.940 3.334 107 2HB GLU 15 2HB GLU 15 2.408 -1.037 2.483 108 1HG GLU 15 1HG GLU 15 1.189 1.063 2.782 109 2HG GLU 15 2HG GLU 15 -0.185 0.196 3.492 110 H LEU 16 H LEU 16 2.657 -0.625 -0.017 111 HA LEU 16 HA LEU 16 1.980 2.070 -0.606 112 1HB LEU 16 1HB LEU 16 3.937 0.107 -1.844 113 2HB LEU 16 2HB LEU 16 3.832 1.786 -2.374 114 HG LEU 16 HG LEU 16 4.327 1.074 0.545 115 1HD1 LEU 16 1HD1 LEU 16 6.101 0.039 -0.838 116 2HD1 LEU 16 2HD1 LEU 16 6.384 1.595 -1.644 117 3HD1 LEU 16 3HD1 LEU 16 6.726 1.412 0.091 118 1HD2 LEU 16 1HD2 LEU 16 4.868 3.585 -1.102 119 2HD2 LEU 16 2HD2 LEU 16 3.604 3.402 0.132 120 3HD2 LEU 16 3HD2 LEU 16 5.306 3.347 0.601 121 H HIS 17 H HIS 17 1.274 -0.963 -2.361 122 HA HIS 17 HA HIS 17 0.301 0.345 -4.749 123 1HB HIS 17 1HB HIS 17 -0.356 -2.403 -3.617 124 2HB HIS 17 2HB HIS 17 -0.680 -1.837 -5.257 125 HD1 HIS 17 HD1 HIS 17 1.044 -4.362 -4.652 126 HD2 HIS 17 HD2 HIS 17 2.605 -0.536 -5.364 127 HE1 HIS 17 HE1 HIS 17 3.425 -4.656 -5.487 128 H LYS 18 H LYS 18 -1.222 -0.870 -1.744 129 HA LYS 18 HA LYS 18 -3.912 -0.461 -2.535 130 1HB LYS 18 1HB LYS 18 -3.200 -1.997 -0.767 131 2HB LYS 18 2HB LYS 18 -2.656 -0.644 0.236 132 1HG LYS 18 1HG LYS 18 -4.986 0.214 0.342 133 2HG LYS 18 2HG LYS 18 -5.516 -1.117 -0.709 134 1HD LYS 18 1HD LYS 18 -4.802 -2.758 1.007 135 2HD LYS 18 2HD LYS 18 -4.179 -1.441 2.018 136 1HE LYS 18 1HE LYS 18 -6.344 -2.146 2.862 137 2HE LYS 18 2HE LYS 18 -6.473 -0.501 2.214 138 1HZ LYS 18 1HZ LYS 18 -7.273 -2.962 0.824 139 2HZ LYS 18 2HZ LYS 18 -8.293 -1.891 1.554 140 3HZ LYS 18 3HZ LYS 18 -7.424 -1.429 0.233 141 H LEU 19 H LEU 19 -1.897 1.451 -0.225 142 HA LEU 19 HA LEU 19 -3.823 3.590 -0.055 143 1HB LEU 19 1HB LEU 19 -0.898 3.568 0.787 144 2HB LEU 19 2HB LEU 19 -2.154 4.697 1.311 145 HG LEU 19 HG LEU 19 -2.000 1.708 1.926 146 1HD1 LEU 19 1HD1 LEU 19 -0.393 3.125 3.152 147 2HD1 LEU 19 2HD1 LEU 19 -1.724 4.162 3.707 148 3HD1 LEU 19 3HD1 LEU 19 -1.636 2.466 4.231 149 1HD2 LEU 19 1HD2 LEU 19 -4.106 3.756 2.734 150 2HD2 LEU 19 2HD2 LEU 19 -4.365 2.299 1.751 151 3HD2 LEU 19 3HD2 LEU 19 -3.930 2.144 3.455 152 H GLN 20 H GLN 20 -0.463 3.529 -1.332 153 HA GLN 20 HA GLN 20 0.601 4.709 -2.909 154 1HB GLN 20 1HB GLN 20 -1.100 3.251 -4.158 155 2HB GLN 20 2HB GLN 20 -2.023 4.728 -4.448 156 1HG GLN 20 1HG GLN 20 -0.021 5.694 -5.614 157 2HG GLN 20 2HG GLN 20 0.884 4.218 -5.244 158 1HE2 GLN 20 2HE2 GLN 20 0.976 4.701 -7.784 159 2HE2 GLN 20 1HE2 GLN 20 -0.168 3.762 -8.719 160 H THR 21 H THR 21 -0.174 6.289 -0.833 161 HA THR 21 HA THR 21 -0.478 8.364 -0.112 162 HB THR 21 HB THR 21 0.188 9.415 -2.883 163 HG1 THR 21 HG1 THR 21 2.349 9.064 -2.298 164 1HG2 THR 21 1HG2 THR 21 0.962 10.318 -0.065 165 2HG2 THR 21 2HG2 THR 21 1.481 11.081 -1.579 166 3HG2 THR 21 3HG2 THR 21 -0.219 11.138 -1.104 167 H TYR 22 H TYR 22 -2.785 6.944 -1.115 168 HA TYR 22 HA TYR 22 -4.989 7.200 -1.453 169 1HB TYR 22 1HB TYR 22 -4.477 9.847 -0.078 170 2HB TYR 22 2HB TYR 22 -6.023 9.010 -0.238 171 HD1 TYR 22 HD1 TYR 22 -6.498 6.944 1.020 172 HD2 TYR 22 HD2 TYR 22 -2.765 9.051 1.495 173 HE1 TYR 22 HE1 TYR 22 -6.036 5.664 3.091 174 HE2 TYR 22 HE2 TYR 22 -2.290 7.746 3.545 175 HH TYR 22 HH TYR 22 -3.037 6.128 5.000 176 HA PRO 23 HA PRO 23 -4.864 9.918 -5.215 177 1HB PRO 23 1HB PRO 23 -5.241 8.087 -7.162 178 2HB PRO 23 2HB PRO 23 -3.673 8.245 -6.329 179 1HG PRO 23 1HG PRO 23 -5.868 6.249 -5.703 180 2HG PRO 23 2HG PRO 23 -4.135 5.919 -5.990 181 1HD PRO 23 1HD PRO 23 -5.202 6.225 -3.481 182 2HD PRO 23 2HD PRO 23 -3.539 6.754 -3.879 183 H ARG 24 H ARG 24 -6.807 10.479 -3.758 184 HA ARG 24 HA ARG 24 -9.349 9.222 -4.177 185 1HB ARG 24 1HB ARG 24 -8.676 12.009 -3.137 186 2HB ARG 24 2HB ARG 24 -10.246 11.196 -3.024 187 1HG ARG 24 1HG ARG 24 -9.143 9.355 -1.702 188 2HG ARG 24 2HG ARG 24 -7.635 10.289 -1.738 189 1HD ARG 24 1HD ARG 24 -8.883 12.205 -0.639 190 2HD ARG 24 2HD ARG 24 -10.274 11.126 -0.487 191 HE ARG 24 HE ARG 24 -9.261 9.951 1.201 192 1HH1 ARG 24 1HH2 ARG 24 -6.844 12.153 -0.226 193 2HH1 ARG 24 2HH2 ARG 24 -5.690 11.880 1.057 194 1HH2 ARG 24 1HH1 ARG 24 -7.719 9.614 2.837 195 2HH2 ARG 24 2HH1 ARG 24 -6.178 10.438 2.782 196 H THR 25 H THR 25 -8.031 12.372 -5.288 197 HA THR 25 HA THR 25 -9.260 12.067 -7.932 198 HB THR 25 HB THR 25 -9.878 14.381 -6.055 199 HG1 THR 25 HG1 THR 25 -11.997 13.701 -6.354 200 1HG2 THR 25 1HG2 THR 25 -10.546 14.033 -9.011 201 2HG2 THR 25 2HG2 THR 25 -11.245 15.278 -7.956 202 3HG2 THR 25 3HG2 THR 25 -9.513 15.294 -8.297 203 H ASP 26 H ASP 26 -8.034 13.106 -9.477 204 HA ASP 26 HA ASP 26 -5.915 14.999 -8.708 205 1HB ASP 26 1HB ASP 26 -4.865 12.792 -8.386 206 2HB ASP 26 2HB ASP 26 -5.321 12.313 -10.024 207 H VAL 27 H VAL 27 -7.044 16.505 -9.895 208 HA VAL 27 HA VAL 27 -6.637 16.404 -12.779 209 HB VAL 27 HB VAL 27 -8.804 15.266 -12.521 210 1HG1 VAL 27 1HG1 VAL 27 -9.594 16.424 -10.431 211 2HG1 VAL 27 2HG1 VAL 27 -9.924 17.872 -11.407 212 3HG1 VAL 27 3HG1 VAL 27 -10.792 16.366 -11.732 213 1HG2 VAL 27 1HG2 VAL 27 -8.317 16.616 -14.531 214 2HG2 VAL 27 2HG2 VAL 27 -10.046 16.589 -14.141 215 3HG2 VAL 27 3HG2 VAL 27 -9.080 18.029 -13.769 216 H GLY 28 H GLY 28 -7.944 18.164 -9.949 217 1HA GLY 28 1HA GLY 28 -6.397 20.483 -10.295 218 2HA GLY 28 2HA GLY 28 -7.944 20.756 -11.125 219 H ALA 29 H ALA 29 -9.828 19.590 -9.658 220 HA ALA 29 HA ALA 29 -10.195 21.305 -7.419 221 1HB ALA 29 1HB ALA 29 -12.043 20.425 -8.766 222 2HB ALA 29 2HB ALA 29 -11.675 18.770 -8.237 223 3HB ALA 29 3HB ALA 29 -12.240 19.979 -7.060 224 H GLY 30 H GLY 30 -9.574 17.748 -7.603 225 1HA GLY 30 1HA GLY 30 -8.522 16.332 -6.149 226 2HA GLY 30 2HA GLY 30 -7.908 17.730 -5.260 227 H THR 31 H THR 31 -11.178 16.357 -5.941 228 HA THR 31 HA THR 31 -12.194 17.100 -3.362 229 HB THR 31 HB THR 31 -14.238 15.899 -4.134 230 HG1 THR 31 HG1 THR 31 -12.675 15.319 -6.421 231 1HG2 THR 31 1HG2 THR 31 -13.833 18.260 -4.810 232 2HG2 THR 31 2HG2 THR 31 -13.035 17.685 -6.292 233 3HG2 THR 31 3HG2 THR 31 -14.754 17.348 -6.022 234 HA PRO 32 HA PRO 32 -11.152 13.327 -1.188 235 1HB PRO 32 1HB PRO 32 -13.032 13.253 0.794 236 2HB PRO 32 2HB PRO 32 -11.715 14.458 0.738 237 1HG PRO 32 1HG PRO 32 -14.570 14.811 -0.207 238 2HG PRO 32 2HG PRO 32 -13.618 15.899 0.840 239 1HD PRO 32 1HD PRO 32 -13.857 16.323 -1.840 240 2HD PRO 32 2HD PRO 32 -12.327 16.672 -0.984 241 H1 NAG 300 H1 NAG 3 5.809 -15.371 2.445 242 H2 NAG 300 H2 NAG 3 4.653 -14.645 5.159 243 H3 NAG 300 H3 NAG 3 3.057 -15.705 2.794 244 H4 NAG 300 H4 NAG 3 3.074 -12.944 4.065 245 H5 NAG 300 H5 NAG 3 4.132 -13.972 1.386 246 1H6 NAG 300 1H6 NAG 3 3.127 -11.770 1.046 247 2H6 NAG 300 2H6 NAG 3 4.896 -11.657 1.010 248 1H8 NAG 300 1H8 NAG 3 6.063 -19.144 4.686 249 2H8 NAG 300 2H8 NAG 3 4.347 -19.233 5.161 250 3H8 NAG 300 3H8 NAG 3 4.864 -19.822 3.568 251 HN2 NAG 300 HN2 NAG 3 4.943 -16.848 5.591 252 HO4 NAG 300 HO4 NAG 3 1.636 -12.528 2.309 253 HO3 NAG 300 HO3 NAG 3 2.319 -16.285 4.918 254 HO6 NAG 300 HO6 NAG 3 3.935 -10.006 2.279 255 1HN NH2 33 1HN NH2 33 -14.622 13.790 -2.131 256 2HN NH2 33 2HN NH2 33 -14.905 12.110 -2.529 Start of MODEL 2 1 1H CYS 1 1H CYS 1 2.893 -16.729 8.451 2 2H CYS 1 2H CYS 1 3.324 -15.606 9.581 3 3H CYS 1 3H CYS 1 2.398 -15.164 8.289 4 HA CYS 1 HA CYS 1 4.146 -15.634 6.779 5 1HB CYS 1 1HB CYS 1 4.759 -13.701 9.030 6 2HB CYS 1 2HB CYS 1 5.788 -13.879 7.605 7 H SER 2 H SER 2 5.528 -15.623 10.073 8 HA SER 2 HA SER 2 7.047 -16.867 11.115 9 1HB SER 2 1HB SER 2 7.178 -18.794 8.760 10 2HB SER 2 2HB SER 2 7.756 -19.038 10.409 11 HG SER 2 HG SER 2 5.593 -18.795 11.118 12 H ASN 3 H ASN 3 7.946 -16.689 7.618 13 HA ASN 3 HA ASN 3 10.728 -16.488 8.115 14 1HB ASN 3 1HB ASN 3 10.941 -15.877 5.786 15 2HB ASN 3 2HB ASN 3 9.870 -17.259 6.003 16 1HD2 ASN 3 1HD2 ASN 3 7.678 -17.080 5.458 17 H LEU 4 H LEU 4 8.255 -13.950 7.576 18 HA LEU 4 HA LEU 4 8.289 -11.704 7.798 19 1HB LEU 4 1HB LEU 4 10.315 -12.291 9.989 20 2HB LEU 4 2HB LEU 4 9.394 -10.796 9.803 21 HG LEU 4 HG LEU 4 8.127 -13.533 10.290 22 1HD1 LEU 4 1HD1 LEU 4 9.514 -12.831 12.197 23 2HD1 LEU 4 2HD1 LEU 4 8.692 -11.255 12.228 24 3HD1 LEU 4 3HD1 LEU 4 7.789 -12.741 12.592 25 1HD2 LEU 4 1HD2 LEU 4 6.980 -10.703 10.384 26 2HD2 LEU 4 2HD2 LEU 4 6.574 -11.957 9.194 27 3HD2 LEU 4 3HD2 LEU 4 6.129 -12.178 10.888 28 H SER 5 H SER 5 9.555 -12.307 5.612 29 HA SER 5 HA SER 5 11.640 -10.257 5.354 30 1HB SER 5 1HB SER 5 12.972 -12.211 5.996 31 2HB SER 5 2HB SER 5 12.183 -13.206 4.760 32 HG SER 5 HG SER 5 13.724 -10.865 4.301 33 H THR 6 H THR 6 10.462 -13.113 3.506 34 HA THR 6 HA THR 6 9.874 -11.676 1.080 35 HB THR 6 HB THR 6 8.861 -14.310 2.205 36 HG1 THR 6 HG1 THR 6 10.964 -13.718 0.406 37 1HG2 THR 6 1HG2 THR 6 8.800 -13.247 -0.652 38 2HG2 THR 6 2HG2 THR 6 8.391 -14.905 -0.162 39 3HG2 THR 6 3HG2 THR 6 7.385 -13.553 0.382 40 H CYS 7 H CYS 7 8.035 -12.747 3.942 41 HA CYS 7 HA CYS 7 5.468 -11.738 3.398 42 1HB CYS 7 1HB CYS 7 5.832 -13.183 5.224 43 2HB CYS 7 2HB CYS 7 7.118 -12.185 5.886 44 H VAL 8 H VAL 8 8.222 -10.123 5.106 45 HA VAL 8 HA VAL 8 6.904 -7.685 5.599 46 HB VAL 8 HB VAL 8 9.839 -8.427 5.360 47 1HG1 VAL 8 1HG2 VAL 8 8.628 -5.769 6.229 48 2HG1 VAL 8 2HG2 VAL 8 10.296 -6.278 6.571 49 3HG1 VAL 8 3HG2 VAL 8 9.781 -6.046 4.899 50 1HG2 VAL 8 1HG1 VAL 8 8.478 -9.398 7.241 51 2HG2 VAL 8 2HG1 VAL 8 9.757 -8.309 7.804 52 3HG2 VAL 8 3HG1 VAL 8 8.071 -7.754 7.756 53 H LEU 9 H LEU 9 9.134 -8.520 2.896 54 HA LEU 9 HA LEU 9 8.953 -6.104 1.455 55 1HB LEU 9 1HB LEU 9 9.378 -8.978 0.582 56 2HB LEU 9 2HB LEU 9 9.528 -7.613 -0.526 57 HG LEU 9 HG LEU 9 11.171 -7.790 2.035 58 1HD1 LEU 9 1HD1 LEU 9 11.630 -9.784 0.649 59 2HD1 LEU 9 2HD1 LEU 9 11.907 -8.744 -0.764 60 3HD1 LEU 9 3HD1 LEU 9 13.002 -8.664 0.633 61 1HD2 LEU 9 1HD2 LEU 9 11.532 -6.220 -0.558 62 2HD2 LEU 9 2HD2 LEU 9 11.063 -5.538 1.013 63 3HD2 LEU 9 3HD2 LEU 9 12.668 -6.246 0.805 64 H GLY 10 H GLY 10 6.838 -8.988 1.411 65 1HA GLY 10 1HA GLY 10 5.163 -8.284 -0.746 66 2HA GLY 10 2HA GLY 10 4.745 -9.332 0.619 67 H LYS 11 H LYS 11 4.725 -7.735 2.802 68 HA LYS 11 HA LYS 11 2.216 -6.423 2.516 69 1HB LYS 11 1HB LYS 11 4.224 -6.530 4.795 70 2HB LYS 11 2HB LYS 11 2.648 -5.758 4.934 71 1HG LYS 11 1HG LYS 11 3.174 -8.706 4.369 72 2HG LYS 11 2HG LYS 11 2.575 -7.996 5.867 73 1HD LYS 11 1HD LYS 11 1.105 -8.198 3.204 74 2HD LYS 11 2HD LYS 11 0.760 -9.043 4.709 75 1HE LYS 11 1HE LYS 11 0.220 -6.868 5.808 76 2HE LYS 11 2HE LYS 11 0.470 -6.038 4.257 77 1HZ LYS 11 1HZ LYS 11 -1.507 -8.137 4.747 78 2HZ LYS 11 2HZ LYS 11 -1.812 -6.519 4.649 79 3HZ LYS 11 3HZ LYS 11 -1.270 -7.336 3.324 80 H LEU 12 H LEU 12 5.541 -5.038 2.920 81 HA LEU 12 HA LEU 12 4.534 -2.370 3.075 82 1HB LEU 12 1HB LEU 12 6.750 -1.589 2.924 83 2HB LEU 12 2HB LEU 12 6.658 -3.000 3.969 84 HG LEU 12 HG LEU 12 7.426 -4.300 1.778 85 1HD1 LEU 12 1HD2 LEU 12 8.589 -1.507 1.323 86 2HD1 LEU 12 2HD2 LEU 12 9.037 -2.981 0.445 87 3HD1 LEU 12 3HD2 LEU 12 7.425 -2.292 0.247 88 1HD2 LEU 12 1HD1 LEU 12 8.659 -4.173 3.915 89 2HD2 LEU 12 2HD1 LEU 12 9.766 -4.010 2.542 90 3HD2 LEU 12 3HD1 LEU 12 9.285 -2.574 3.470 91 H SER 13 H SER 13 5.468 -4.427 0.302 92 HA SER 13 HA SER 13 5.237 -2.379 -1.689 93 1HB SER 13 1HB SER 13 6.372 -4.511 -2.099 94 2HB SER 13 2HB SER 13 4.844 -5.393 -1.896 95 HG SER 13 HG SER 13 5.333 -4.955 -4.084 96 H GLN 14 H GLN 14 2.927 -4.753 -0.313 97 HA GLN 14 HA GLN 14 0.733 -4.231 -1.968 98 1HB GLN 14 1HB GLN 14 1.023 -6.176 -0.429 99 2HB GLN 14 2HB GLN 14 0.712 -5.104 0.947 100 1HG GLN 14 1HG GLN 14 -1.534 -4.554 -0.182 101 2HG GLN 14 2HG GLN 14 -1.189 -5.877 -1.301 102 1HE2 GLN 14 2HE2 GLN 14 -0.450 -8.005 -0.059 103 2HE2 GLN 14 1HE2 GLN 14 -1.436 -8.428 1.324 104 H GLU 15 H GLU 15 1.477 -2.835 1.293 105 HA GLU 15 HA GLU 15 -0.892 -1.271 1.369 106 1HB GLU 15 1HB GLU 15 -0.084 -0.380 3.406 107 2HB GLU 15 2HB GLU 15 0.377 -2.088 3.328 108 1HG GLU 15 1HG GLU 15 2.657 -1.297 2.511 109 2HG GLU 15 2HG GLU 15 2.158 0.351 2.912 110 H LEU 16 H LEU 16 2.448 -0.470 0.309 111 HA LEU 16 HA LEU 16 1.932 2.333 -0.057 112 1HB LEU 16 1HB LEU 16 3.990 0.443 -1.248 113 2HB LEU 16 2HB LEU 16 3.977 2.181 -1.562 114 HG LEU 16 HG LEU 16 4.203 1.000 1.242 115 1HD1 LEU 16 1HD1 LEU 16 6.149 0.376 -0.189 116 2HD1 LEU 16 2HD1 LEU 16 6.380 2.087 -0.597 117 3HD1 LEU 16 3HD1 LEU 16 6.597 1.532 1.077 118 1HD2 LEU 16 1HD2 LEU 16 4.634 3.817 0.154 119 2HD2 LEU 16 2HD2 LEU 16 3.370 3.304 1.294 120 3HD2 LEU 16 3HD2 LEU 16 5.061 3.279 1.791 121 H HIS 17 H HIS 17 1.575 -0.523 -2.195 122 HA HIS 17 HA HIS 17 0.851 0.976 -4.535 123 1HB HIS 17 1HB HIS 17 1.641 -1.322 -4.653 124 2HB HIS 17 2HB HIS 17 0.272 -1.888 -3.688 125 HD1 HIS 17 HD1 HIS 17 -1.989 -2.221 -4.856 126 HD2 HIS 17 HD2 HIS 17 0.938 -0.545 -7.346 127 HE1 HIS 17 HE1 HIS 17 -2.905 -2.247 -7.227 128 H LYS 18 H LYS 18 -1.031 -0.508 -1.874 129 HA LYS 18 HA LYS 18 -3.609 -0.093 -2.959 130 1HB LYS 18 1HB LYS 18 -3.039 -1.697 -1.190 131 2HB LYS 18 2HB LYS 18 -2.715 -0.368 -0.059 132 1HG LYS 18 1HG LYS 18 -5.144 0.368 -0.455 133 2HG LYS 18 2HG LYS 18 -5.369 -1.155 -1.326 134 1HD LYS 18 1HD LYS 18 -4.597 -0.788 1.612 135 2HD LYS 18 2HD LYS 18 -6.160 -1.292 0.967 136 1HE LYS 18 1HE LYS 18 -5.276 -3.311 1.635 137 2HE LYS 18 2HE LYS 18 -4.851 -3.306 -0.084 138 1HZ LYS 18 1HZ LYS 18 -3.102 -2.547 2.161 139 2HZ LYS 18 2HZ LYS 18 -3.050 -3.978 1.345 140 3HZ LYS 18 3HZ LYS 18 -2.651 -2.576 0.577 141 H LEU 19 H LEU 19 -1.936 1.712 -0.318 142 HA LEU 19 HA LEU 19 -3.924 3.802 -0.252 143 1HB LEU 19 1HB LEU 19 -1.130 3.686 0.957 144 2HB LEU 19 2HB LEU 19 -2.401 4.839 1.379 145 HG LEU 19 HG LEU 19 -2.551 1.811 1.789 146 1HD1 LEU 19 1HD1 LEU 19 -0.871 2.890 3.229 147 2HD1 LEU 19 2HD1 LEU 19 -2.086 4.066 3.779 148 3HD1 LEU 19 3HD1 LEU 19 -2.270 2.342 4.170 149 1HD2 LEU 19 1HD2 LEU 19 -4.433 4.053 2.650 150 2HD2 LEU 19 2HD2 LEU 19 -4.806 2.730 1.520 151 3HD2 LEU 19 3HD2 LEU 19 -4.517 2.375 3.225 152 H GLN 20 H GLN 20 -0.446 3.805 -1.137 153 HA GLN 20 HA GLN 20 0.815 5.156 -2.376 154 1HB GLN 20 1HB GLN 20 -0.701 3.891 -4.048 155 2HB GLN 20 2HB GLN 20 -1.571 5.410 -4.252 156 1HG GLN 20 1HG GLN 20 0.044 5.185 -6.016 157 2HG GLN 20 2HG GLN 20 0.629 6.474 -4.965 158 1HE2 GLN 20 2HE2 GLN 20 2.634 6.205 -3.914 159 2HE2 GLN 20 1HE2 GLN 20 3.644 4.792 -4.124 160 H THR 21 H THR 21 -0.149 6.465 -0.269 161 HA THR 21 HA THR 21 -0.547 8.424 0.690 162 HB THR 21 HB THR 21 0.545 9.765 -1.811 163 HG1 THR 21 HG1 THR 21 1.930 8.464 0.288 164 1HG2 THR 21 1HG2 THR 21 0.804 10.389 1.174 165 2HG2 THR 21 2HG2 THR 21 1.565 11.293 -0.149 166 3HG2 THR 21 3HG2 THR 21 -0.194 11.307 0.031 167 H TYR 22 H TYR 22 -2.793 7.370 -0.198 168 HA TYR 22 HA TYR 22 -4.968 7.767 -0.776 169 1HB TYR 22 1HB TYR 22 -5.866 9.616 0.639 170 2HB TYR 22 2HB TYR 22 -4.902 8.385 1.422 171 HD1 TYR 22 HD1 TYR 22 -2.698 8.830 2.370 172 HD2 TYR 22 HD2 TYR 22 -5.066 11.985 0.625 173 HE1 TYR 22 HE1 TYR 22 -1.172 10.518 3.338 174 HE2 TYR 22 HE2 TYR 22 -3.519 13.663 1.561 175 HH TYR 22 HH TYR 22 -0.683 12.754 3.557 176 HA PRO 23 HA PRO 23 -4.317 10.808 -4.267 177 1HB PRO 23 1HB PRO 23 -5.333 9.241 -6.294 178 2HB PRO 23 2HB PRO 23 -3.631 9.216 -5.756 179 1HG PRO 23 1HG PRO 23 -5.837 7.310 -4.971 180 2HG PRO 23 2HG PRO 23 -4.166 6.925 -5.462 181 1HD PRO 23 1HD PRO 23 -4.922 7.030 -2.856 182 2HD PRO 23 2HD PRO 23 -3.301 7.592 -3.369 183 H ARG 24 H ARG 24 -7.069 8.507 -3.882 184 HA ARG 24 HA ARG 24 -9.062 10.678 -4.008 185 1HB ARG 24 1HB ARG 24 -9.427 8.293 -4.848 186 2HB ARG 24 2HB ARG 24 -9.466 7.780 -3.162 187 1HG ARG 24 1HG ARG 24 -11.327 9.770 -4.553 188 2HG ARG 24 2HG ARG 24 -11.708 8.114 -4.061 189 1HD ARG 24 1HD ARG 24 -11.260 8.840 -1.653 190 2HD ARG 24 2HD ARG 24 -11.184 10.504 -2.258 191 HE ARG 24 HE ARG 24 -13.430 10.575 -2.611 192 1HH1 ARG 24 1HH2 ARG 24 -12.547 7.220 -1.781 193 2HH1 ARG 24 2HH2 ARG 24 -14.203 6.753 -1.481 194 1HH2 ARG 24 1HH1 ARG 24 -15.566 9.919 -2.214 195 2HH2 ARG 24 2HH1 ARG 24 -15.912 8.274 -1.733 196 H THR 25 H THR 25 -8.684 12.051 -2.304 197 HA THR 25 HA THR 25 -7.426 11.293 0.116 198 HB THR 25 HB THR 25 -8.989 13.800 -0.614 199 HG1 THR 25 HG1 THR 25 -7.172 13.318 -1.910 200 1HG2 THR 25 1HG2 THR 25 -7.010 13.270 1.653 201 2HG2 THR 25 2HG2 THR 25 -7.632 14.864 1.179 202 3HG2 THR 25 3HG2 THR 25 -8.739 13.650 1.835 203 H ASP 26 H ASP 26 -10.758 12.579 -0.239 204 HA ASP 26 HA ASP 26 -12.688 12.205 0.774 205 1HB ASP 26 1HB ASP 26 -12.269 9.795 0.258 206 2HB ASP 26 2HB ASP 26 -11.589 9.585 1.874 207 H VAL 27 H VAL 27 -13.626 13.012 2.611 208 HA VAL 27 HA VAL 27 -11.916 13.768 4.847 209 HB VAL 27 HB VAL 27 -14.917 14.081 4.425 210 1HG1 VAL 27 1HG1 VAL 27 -13.023 15.295 6.493 211 2HG1 VAL 27 2HG1 VAL 27 -14.714 15.773 6.243 212 3HG1 VAL 27 3HG1 VAL 27 -14.339 14.150 6.831 213 1HG2 VAL 27 1HG2 VAL 27 -12.613 16.043 4.063 214 2HG2 VAL 27 2HG2 VAL 27 -13.600 15.343 2.762 215 3HG2 VAL 27 3HG2 VAL 27 -14.340 16.432 3.943 216 H GLY 28 H GLY 28 -15.089 12.069 4.915 217 1HA GLY 28 1HA GLY 28 -15.792 10.207 6.029 218 2HA GLY 28 2HA GLY 28 -14.112 9.735 6.325 219 H ALA 29 H ALA 29 -12.943 10.964 8.013 220 HA ALA 29 HA ALA 29 -14.434 12.562 9.951 221 1HB ALA 29 1HB ALA 29 -13.160 9.905 10.757 222 2HB ALA 29 2HB ALA 29 -13.784 11.141 11.875 223 3HB ALA 29 3HB ALA 29 -14.893 10.288 10.787 224 H GLY 30 H GLY 30 -12.840 13.789 8.494 225 1HA GLY 30 1HA GLY 30 -10.999 15.197 8.675 226 2HA GLY 30 2HA GLY 30 -10.248 14.146 9.883 227 H THR 31 H THR 31 -9.532 15.277 7.024 228 HA THR 31 HA THR 31 -9.356 13.102 5.257 229 HB THR 31 HB THR 31 -7.717 14.577 4.028 230 HG1 THR 31 HG1 THR 31 -7.398 16.644 4.913 231 1HG2 THR 31 1HG2 THR 31 -10.139 14.814 3.637 232 2HG2 THR 31 2HG2 THR 31 -10.256 15.967 4.988 233 3HG2 THR 31 3HG2 THR 31 -9.313 16.378 3.543 234 HA PRO 32 HA PRO 32 -5.649 11.052 6.809 235 1HB PRO 32 1HB PRO 32 -4.958 9.522 4.662 236 2HB PRO 32 2HB PRO 32 -6.449 9.221 5.600 237 1HG PRO 32 1HG PRO 32 -6.192 10.818 3.035 238 2HG PRO 32 2HG PRO 32 -7.324 9.475 3.372 239 1HD PRO 32 1HD PRO 32 -8.039 12.085 3.650 240 2HD PRO 32 2HD PRO 32 -8.628 10.849 4.805 241 H1 NAG 300 H1 NAG 3 7.136 -14.818 3.566 242 H2 NAG 300 H2 NAG 3 6.740 -17.830 3.209 243 H3 NAG 300 H3 NAG 3 6.366 -15.501 1.288 244 H4 NAG 300 H4 NAG 3 4.370 -17.400 2.577 245 H5 NAG 300 H5 NAG 3 4.858 -14.416 3.035 246 1H6 NAG 300 1H6 NAG 3 2.464 -15.055 3.241 247 2H6 NAG 300 2H6 NAG 3 3.180 -14.591 4.789 248 1H8 NAG 300 1H8 NAG 3 10.622 -17.698 1.047 249 2H8 NAG 300 2H8 NAG 3 11.164 -16.716 2.429 250 3H8 NAG 300 3H8 NAG 3 11.334 -18.484 2.473 251 HN2 NAG 300 HN2 NAG 3 8.659 -16.246 1.600 252 HO4 NAG 300 HO4 NAG 3 2.870 -16.026 1.507 253 HO3 NAG 300 HO3 NAG 3 5.918 -18.322 1.018 254 HO6 NAG 300 HO6 NAG 3 2.766 -17.240 3.854 255 1HN NH2 33 1HN NH2 33 -3.279 10.878 6.264 256 2HN NH2 33 2HN NH2 33 -2.543 12.173 5.343 Start of MODEL 3 1 1H CYS 1 1H CYS 1 4.729 -15.884 5.987 2 2H CYS 1 2H CYS 1 3.373 -15.802 6.922 3 3H CYS 1 3H CYS 1 3.819 -14.509 6.003 4 HA CYS 1 HA CYS 1 5.813 -14.224 7.271 5 1HB CYS 1 1HB CYS 1 3.102 -13.984 8.457 6 2HB CYS 1 2HB CYS 1 4.452 -13.882 9.581 7 H SER 2 H SER 2 7.256 -15.737 7.445 8 HA SER 2 HA SER 2 7.318 -17.403 9.852 9 1HB SER 2 1HB SER 2 7.893 -19.446 8.524 10 2HB SER 2 2HB SER 2 6.210 -18.927 8.327 11 HG SER 2 HG SER 2 7.178 -19.431 6.338 12 H ASN 3 H ASN 3 8.880 -16.615 6.707 13 HA ASN 3 HA ASN 3 11.593 -16.507 7.692 14 1HB ASN 3 1HB ASN 3 10.216 -15.025 5.406 15 2HB ASN 3 2HB ASN 3 11.962 -15.106 5.675 16 1HD2 ASN 3 1HD2 ASN 3 9.918 -16.133 3.560 17 H LEU 4 H LEU 4 8.850 -14.242 7.474 18 HA LEU 4 HA LEU 4 8.474 -12.140 8.145 19 1HB LEU 4 1HB LEU 4 10.695 -12.487 10.200 20 2HB LEU 4 2HB LEU 4 9.375 -11.317 10.219 21 HG LEU 4 HG LEU 4 9.099 -14.346 10.502 22 1HD1 LEU 4 1HD1 LEU 4 10.083 -13.223 12.463 23 2HD1 LEU 4 2HD1 LEU 4 8.715 -12.089 12.508 24 3HD1 LEU 4 3HD1 LEU 4 8.450 -13.821 12.808 25 1HD2 LEU 4 1HD2 LEU 4 6.976 -12.154 10.590 26 2HD2 LEU 4 2HD2 LEU 4 7.100 -13.459 9.389 27 3HD2 LEU 4 3HD2 LEU 4 6.724 -13.846 11.070 28 H SER 5 H SER 5 9.696 -12.322 5.897 29 HA SER 5 HA SER 5 11.404 -9.965 5.681 30 1HB SER 5 1HB SER 5 13.071 -11.700 6.230 31 2HB SER 5 2HB SER 5 12.455 -12.736 4.929 32 HG SER 5 HG SER 5 13.031 -11.074 3.465 33 H THR 6 H THR 6 10.444 -12.968 3.918 34 HA THR 6 HA THR 6 9.849 -11.652 1.435 35 HB THR 6 HB THR 6 8.698 -13.790 0.901 36 HG1 THR 6 HG1 THR 6 7.947 -14.333 2.961 37 1HG2 THR 6 1HG2 THR 6 11.183 -13.515 0.626 38 2HG2 THR 6 2HG2 THR 6 11.402 -14.275 2.222 39 3HG2 THR 6 3HG2 THR 6 10.659 -15.182 0.892 40 H CYS 7 H CYS 7 7.899 -12.693 4.244 41 HA CYS 7 HA CYS 7 5.351 -11.827 3.350 42 1HB CYS 7 1HB CYS 7 5.740 -13.348 5.206 43 2HB CYS 7 2HB CYS 7 6.537 -12.068 6.134 44 H VAL 8 H VAL 8 7.894 -10.183 5.297 45 HA VAL 8 HA VAL 8 6.512 -7.786 5.812 46 HB VAL 8 HB VAL 8 9.488 -8.376 5.570 47 1HG1 VAL 8 1HG2 VAL 8 8.069 -5.931 6.709 48 2HG1 VAL 8 2HG2 VAL 8 9.780 -6.327 6.977 49 3HG1 VAL 8 3HG2 VAL 8 9.212 -5.969 5.345 50 1HG2 VAL 8 1HG1 VAL 8 8.281 -9.658 7.341 51 2HG2 VAL 8 2HG1 VAL 8 9.388 -8.464 8.032 52 3HG2 VAL 8 3HG1 VAL 8 7.644 -8.137 7.991 53 H LEU 9 H LEU 9 8.698 -8.646 3.089 54 HA LEU 9 HA LEU 9 8.614 -6.224 1.675 55 1HB LEU 9 1HB LEU 9 9.997 -8.404 1.364 56 2HB LEU 9 2HB LEU 9 8.677 -8.943 0.328 57 HG LEU 9 HG LEU 9 10.409 -6.450 0.000 58 1HD1 LEU 9 1HD1 LEU 9 11.580 -8.588 -0.417 59 2HD1 LEU 9 2HD1 LEU 9 10.319 -9.055 -1.579 60 3HD1 LEU 9 3HD1 LEU 9 11.373 -7.664 -1.915 61 1HD2 LEU 9 1HD2 LEU 9 8.153 -7.518 -1.751 62 2HD2 LEU 9 2HD2 LEU 9 8.317 -5.893 -1.034 63 3HD2 LEU 9 3HD2 LEU 9 9.392 -6.388 -2.335 64 H GLY 10 H GLY 10 6.483 -9.126 1.460 65 1HA GLY 10 1HA GLY 10 4.692 -8.305 -0.515 66 2HA GLY 10 2HA GLY 10 4.322 -9.395 0.830 67 H LYS 11 H LYS 11 4.520 -7.728 3.044 68 HA LYS 11 HA LYS 11 1.963 -6.489 3.022 69 1HB LYS 11 1HB LYS 11 4.265 -6.420 5.004 70 2HB LYS 11 2HB LYS 11 2.698 -5.673 5.324 71 1HG LYS 11 1HG LYS 11 3.002 -8.632 4.652 72 2HG LYS 11 2HG LYS 11 3.052 -7.980 6.295 73 1HD LYS 11 1HD LYS 11 0.774 -7.034 5.987 74 2HD LYS 11 2HD LYS 11 0.703 -7.749 4.362 75 1HE LYS 11 1HE LYS 11 1.015 -10.006 5.336 76 2HE LYS 11 2HE LYS 11 1.062 -9.296 6.963 77 1HZ LYS 11 1HZ LYS 11 -1.197 -9.155 5.097 78 2HZ LYS 11 2HZ LYS 11 -1.092 -10.133 6.422 79 3HZ LYS 11 3HZ LYS 11 -1.154 -8.495 6.608 80 H LEU 12 H LEU 12 5.266 -4.986 3.186 81 HA LEU 12 HA LEU 12 4.185 -2.342 3.171 82 1HB LEU 12 1HB LEU 12 6.416 -1.537 2.997 83 2HB LEU 12 2HB LEU 12 6.299 -2.863 4.147 84 HG LEU 12 HG LEU 12 7.120 -4.331 2.088 85 1HD1 LEU 12 1HD1 LEU 12 8.286 -1.585 1.428 86 2HD1 LEU 12 2HD1 LEU 12 8.767 -3.127 0.694 87 3HD1 LEU 12 3HD1 LEU 12 7.156 -2.474 0.395 88 1HD2 LEU 12 1HD2 LEU 12 8.297 -4.040 4.235 89 2HD2 LEU 12 2HD2 LEU 12 9.430 -4.011 2.874 90 3HD2 LEU 12 3HD2 LEU 12 8.958 -2.493 3.670 91 H SER 13 H SER 13 5.079 -4.553 0.543 92 HA SER 13 HA SER 13 5.020 -2.603 -1.564 93 1HB SER 13 1HB SER 13 6.123 -4.770 -1.816 94 2HB SER 13 2HB SER 13 4.573 -5.617 -1.613 95 HG SER 13 HG SER 13 5.214 -3.749 -3.653 96 H GLN 14 H GLN 14 2.589 -4.885 -0.221 97 HA GLN 14 HA GLN 14 0.422 -4.224 -1.911 98 1HB GLN 14 1HB GLN 14 0.514 -6.218 -0.505 99 2HB GLN 14 2HB GLN 14 0.486 -5.227 0.964 100 1HG GLN 14 1HG GLN 14 -1.786 -4.419 0.383 101 2HG GLN 14 2HG GLN 14 -1.724 -5.334 -1.134 102 1HE2 GLN 14 2HE2 GLN 14 -1.281 -5.821 2.429 103 2HE2 GLN 14 1HE2 GLN 14 -2.096 -7.369 2.488 104 H GLU 15 H GLU 15 1.430 -2.898 1.270 105 HA GLU 15 HA GLU 15 -0.674 -1.057 1.646 106 1HB GLU 15 1HB GLU 15 0.820 -1.758 3.418 107 2HB GLU 15 2HB GLU 15 2.218 -1.047 2.594 108 1HG GLU 15 1HG GLU 15 1.319 1.202 2.883 109 2HG GLU 15 2HG GLU 15 -0.191 0.553 3.548 110 H LEU 16 H LEU 16 2.603 -0.581 0.212 111 HA LEU 16 HA LEU 16 2.360 2.148 -0.339 112 1HB LEU 16 1HB LEU 16 4.483 0.974 -0.303 113 2HB LEU 16 2HB LEU 16 3.992 -0.053 -1.657 114 HG LEU 16 HG LEU 16 3.966 1.899 -3.162 115 1HD1 LEU 16 1HD1 LEU 16 4.955 3.444 -0.718 116 2HD1 LEU 16 2HD1 LEU 16 4.986 4.049 -2.387 117 3HD1 LEU 16 3HD1 LEU 16 3.438 3.729 -1.601 118 1HD2 LEU 16 1HD2 LEU 16 6.006 0.541 -2.902 119 2HD2 LEU 16 2HD2 LEU 16 6.401 2.237 -3.235 120 3HD2 LEU 16 3HD2 LEU 16 6.553 1.600 -1.583 121 H HIS 17 H HIS 17 1.663 -0.705 -2.423 122 HA HIS 17 HA HIS 17 0.876 0.684 -4.754 123 1HB HIS 17 1HB HIS 17 1.373 -1.694 -4.737 124 2HB HIS 17 2HB HIS 17 0.019 -2.017 -3.646 125 HD1 HIS 17 HD1 HIS 17 -2.385 -1.994 -4.631 126 HD2 HIS 17 HD2 HIS 17 0.610 -1.175 -7.447 127 HE1 HIS 17 HE1 HIS 17 -3.457 -2.105 -6.934 128 H LYS 18 H LYS 18 -1.071 -0.508 -1.974 129 HA LYS 18 HA LYS 18 -3.607 0.157 -2.922 130 1HB LYS 18 1HB LYS 18 -3.216 -1.304 -1.026 131 2HB LYS 18 2HB LYS 18 -2.543 0.038 -0.081 132 1HG LYS 18 1HG LYS 18 -4.731 1.167 -0.066 133 2HG LYS 18 2HG LYS 18 -5.391 -0.055 -1.160 134 1HD LYS 18 1HD LYS 18 -6.092 -0.426 1.170 135 2HD LYS 18 2HD LYS 18 -5.172 -1.790 0.524 136 1HE LYS 18 1HE LYS 18 -4.578 -1.236 2.871 137 2HE LYS 18 2HE LYS 18 -3.189 -1.132 1.786 138 1HZ LYS 18 1HZ LYS 18 -4.796 1.137 2.734 139 2HZ LYS 18 2HZ LYS 18 -3.303 0.709 3.291 140 3HZ LYS 18 3HZ LYS 18 -3.482 1.238 1.741 141 H LEU 19 H LEU 19 -1.488 2.144 -0.741 142 HA LEU 19 HA LEU 19 -3.333 4.340 -0.765 143 1HB LEU 19 1HB LEU 19 -1.743 5.536 0.543 144 2HB LEU 19 2HB LEU 19 -1.913 3.876 1.098 145 HG LEU 19 HG LEU 19 0.250 3.470 -0.404 146 1HD1 LEU 19 1HD1 LEU 19 0.511 6.420 0.343 147 2HD1 LEU 19 2HD1 LEU 19 1.809 5.389 -0.287 148 3HD1 LEU 19 3HD1 LEU 19 0.433 5.795 -1.313 149 1HD2 LEU 19 1HD2 LEU 19 0.069 3.115 2.032 150 2HD2 LEU 19 2HD2 LEU 19 1.620 3.854 1.601 151 3HD2 LEU 19 3HD2 LEU 19 0.328 4.849 2.307 152 H GLN 20 H GLN 20 -0.636 3.464 -2.896 153 HA GLN 20 HA GLN 20 -0.284 6.060 -4.037 154 1HB GLN 20 1HB GLN 20 1.416 4.339 -4.237 155 2HB GLN 20 2HB GLN 20 0.307 3.276 -5.116 156 1HG GLN 20 1HG GLN 20 1.875 4.314 -6.638 157 2HG GLN 20 2HG GLN 20 0.249 4.881 -7.005 158 1HE2 GLN 20 2HE2 GLN 20 -0.313 7.103 -6.494 159 2HE2 GLN 20 1HE2 GLN 20 0.932 8.300 -6.202 160 H THR 21 H THR 21 -2.121 3.162 -5.160 161 HA THR 21 HA THR 21 -3.315 4.482 -7.404 162 HB THR 21 HB THR 21 -4.783 2.468 -7.451 163 HG1 THR 21 HG1 THR 21 -4.857 2.075 -5.210 164 1HG2 THR 21 1HG2 THR 21 -2.572 2.460 -8.562 165 2HG2 THR 21 2HG2 THR 21 -1.820 1.841 -7.076 166 3HG2 THR 21 3HG2 THR 21 -3.016 0.859 -7.944 167 H TYR 22 H TYR 22 -4.416 3.828 -4.070 168 HA TYR 22 HA TYR 22 -6.748 5.656 -4.436 169 1HB TYR 22 1HB TYR 22 -7.387 3.308 -4.788 170 2HB TYR 22 2HB TYR 22 -6.792 2.895 -3.190 171 HD1 TYR 22 HD1 TYR 22 -8.172 3.337 -1.221 172 HD2 TYR 22 HD2 TYR 22 -9.342 4.841 -5.092 173 HE1 TYR 22 HE1 TYR 22 -10.408 3.892 -0.330 174 HE2 TYR 22 HE2 TYR 22 -11.609 5.319 -4.214 175 HH TYR 22 HH TYR 22 -12.512 4.687 -0.799 176 HA PRO 23 HA PRO 23 -4.389 6.658 -0.539 177 1HB PRO 23 1HB PRO 23 -4.501 9.385 -0.748 178 2HB PRO 23 2HB PRO 23 -3.250 8.394 -1.545 179 1HG PRO 23 1HG PRO 23 -5.781 9.503 -2.752 180 2HG PRO 23 2HG PRO 23 -4.135 9.531 -3.438 181 1HD PRO 23 1HD PRO 23 -5.997 7.680 -4.163 182 2HD PRO 23 2HD PRO 23 -4.264 7.256 -4.069 183 H ARG 24 H ARG 24 -7.337 8.049 -2.012 184 HA ARG 24 HA ARG 24 -8.914 7.439 0.353 185 1HB ARG 24 1HB ARG 24 -9.721 9.722 0.706 186 2HB ARG 24 2HB ARG 24 -7.974 9.645 0.929 187 1HG ARG 24 1HG ARG 24 -7.637 10.578 -1.365 188 2HG ARG 24 2HG ARG 24 -9.394 10.635 -1.588 189 1HD ARG 24 1HD ARG 24 -8.600 12.823 -1.023 190 2HD ARG 24 2HD ARG 24 -9.593 12.224 0.302 191 HE ARG 24 HE ARG 24 -6.643 12.623 0.210 192 1HH1 ARG 24 1HH2 ARG 24 -9.422 11.599 2.211 193 2HH1 ARG 24 2HH2 ARG 24 -8.521 11.750 3.699 194 1HH2 ARG 24 1HH1 ARG 24 -5.526 12.786 2.166 195 2HH2 ARG 24 2HH1 ARG 24 -6.322 12.409 3.677 196 H THR 25 H THR 25 -11.241 8.705 -0.293 197 HA THR 25 HA THR 25 -12.192 7.348 -2.641 198 HB THR 25 HB THR 25 -13.459 9.548 -0.959 199 HG1 THR 25 HG1 THR 25 -12.939 7.654 0.190 200 1HG2 THR 25 1HG2 THR 25 -14.671 7.542 -2.921 201 2HG2 THR 25 2HG2 THR 25 -15.587 8.628 -1.856 202 3HG2 THR 25 3HG2 THR 25 -14.588 9.303 -3.154 203 H ASP 26 H ASP 26 -11.460 7.923 -4.590 204 HA ASP 26 HA ASP 26 -11.538 10.779 -5.438 205 1HB ASP 26 1HB ASP 26 -9.318 8.766 -6.005 206 2HB ASP 26 2HB ASP 26 -9.430 10.401 -6.672 207 H VAL 27 H VAL 27 -11.726 11.042 -7.731 208 HA VAL 27 HA VAL 27 -12.406 8.776 -9.414 209 HB VAL 27 HB VAL 27 -14.503 9.099 -8.165 210 1HG1 VAL 27 1HG1 VAL 27 -14.303 11.515 -7.615 211 2HG1 VAL 27 2HG1 VAL 27 -14.580 11.920 -9.323 212 3HG1 VAL 27 3HG1 VAL 27 -15.849 11.122 -8.379 213 1HG2 VAL 27 1HG2 VAL 27 -14.547 8.380 -10.549 214 2HG2 VAL 27 2HG2 VAL 27 -16.015 9.229 -10.031 215 3HG2 VAL 27 3HG2 VAL 27 -14.818 10.071 -11.030 216 H GLY 28 H GLY 28 -12.396 9.329 -11.622 217 1HA GLY 28 1HA GLY 28 -12.211 12.019 -12.609 218 2HA GLY 28 2HA GLY 28 -10.596 11.302 -12.426 219 H ALA 29 H ALA 29 -13.845 10.694 -13.812 220 HA ALA 29 HA ALA 29 -12.682 9.701 -16.305 221 1HB ALA 29 1HB ALA 29 -12.748 7.641 -14.932 222 2HB ALA 29 2HB ALA 29 -14.464 7.929 -14.574 223 3HB ALA 29 3HB ALA 29 -13.949 7.571 -16.235 224 H GLY 30 H GLY 30 -14.304 9.467 -17.977 225 1HA GLY 30 1HA GLY 30 -16.258 11.543 -18.030 226 2HA GLY 30 2HA GLY 30 -16.061 10.231 -19.206 227 H THR 31 H THR 31 -16.515 7.969 -17.782 228 HA THR 31 HA THR 31 -19.155 8.220 -16.412 229 HB THR 31 HB THR 31 -18.454 6.203 -18.575 230 HG1 THR 31 HG1 THR 31 -20.252 8.391 -18.515 231 1HG2 THR 31 1HG2 THR 31 -21.013 6.674 -16.968 232 2HG2 THR 31 2HG2 THR 31 -20.837 5.552 -18.332 233 3HG2 THR 31 3HG2 THR 31 -19.955 5.254 -16.826 234 HA PRO 32 HA PRO 32 -15.998 6.104 -13.795 235 1HB PRO 32 1HB PRO 32 -18.145 6.876 -11.809 236 2HB PRO 32 2HB PRO 32 -16.369 6.902 -11.597 237 1HG PRO 32 1HG PRO 32 -17.689 9.206 -12.121 238 2HG PRO 32 2HG PRO 32 -16.184 8.841 -13.019 239 1HD PRO 32 1HD PRO 32 -19.043 8.433 -13.937 240 2HD PRO 32 2HD PRO 32 -17.671 9.178 -14.807 241 H1 NAG 300 H1 NAG 3 11.348 -18.683 3.042 242 H2 NAG 300 H2 NAG 3 8.317 -18.272 3.031 243 H3 NAG 300 H3 NAG 3 9.930 -20.708 2.166 244 H4 NAG 300 H4 NAG 3 8.269 -18.744 0.550 245 H5 NAG 300 H5 NAG 3 11.289 -19.216 0.686 246 1H6 NAG 300 1H6 NAG 3 9.660 -17.224 -0.955 247 2H6 NAG 300 2H6 NAG 3 10.527 -18.638 -1.602 248 1H8 NAG 300 1H8 NAG 3 9.981 -19.938 7.080 249 2H8 NAG 300 2H8 NAG 3 8.841 -21.200 6.552 250 3H8 NAG 300 3H8 NAG 3 10.573 -21.568 6.697 251 HN2 NAG 300 HN2 NAG 3 8.424 -19.189 5.092 252 HO4 NAG 300 HO4 NAG 3 9.880 -21.005 -0.176 253 HO3 NAG 300 HO3 NAG 3 7.854 -21.152 3.115 254 HO6 NAG 300 HO6 NAG 3 12.454 -17.714 -0.769 255 1HN NH2 33 1HN NH2 33 -17.399 2.962 -12.858 256 2HN NH2 33 2HN NH2 33 -16.014 4.030 -12.775 Start of MODEL 4 1 1H CYS 1 1H CYS 1 2.346 -16.309 7.587 2 2H CYS 1 2H CYS 1 2.490 -15.631 6.089 3 3H CYS 1 3H CYS 1 3.349 -16.987 6.465 4 HA CYS 1 HA CYS 1 4.768 -15.124 6.469 5 1HB CYS 1 1HB CYS 1 2.948 -13.496 6.974 6 2HB CYS 1 2HB CYS 1 2.934 -14.061 8.643 7 H SER 2 H SER 2 6.605 -15.819 7.448 8 HA SER 2 HA SER 2 6.592 -16.760 10.254 9 1HB SER 2 1HB SER 2 7.394 -18.509 7.882 10 2HB SER 2 2HB SER 2 7.726 -18.875 9.588 11 HG SER 2 HG SER 2 5.828 -19.877 8.817 12 H ASN 3 H ASN 3 8.644 -16.753 7.312 13 HA ASN 3 HA ASN 3 11.089 -16.372 8.677 14 1HB ASN 3 1HB ASN 3 11.960 -15.779 6.382 15 2HB ASN 3 2HB ASN 3 11.152 -17.339 6.537 16 1HD2 ASN 3 1HD2 ASN 3 9.317 -17.776 5.421 17 H LEU 4 H LEU 4 8.706 -13.997 7.603 18 HA LEU 4 HA LEU 4 8.614 -11.756 7.691 19 1HB LEU 4 1HB LEU 4 10.565 -12.167 9.986 20 2HB LEU 4 2HB LEU 4 9.816 -10.619 9.610 21 HG LEU 4 HG LEU 4 8.081 -13.065 10.067 22 1HD1 LEU 4 1HD1 LEU 4 9.188 -11.183 12.190 23 2HD1 LEU 4 2HD1 LEU 4 7.917 -12.400 12.440 24 3HD1 LEU 4 3HD1 LEU 4 9.560 -12.913 12.020 25 1HD2 LEU 4 1HD2 LEU 4 7.057 -10.969 9.118 26 2HD2 LEU 4 2HD2 LEU 4 6.435 -11.367 10.728 27 3HD2 LEU 4 3HD2 LEU 4 7.638 -10.077 10.534 28 H SER 5 H SER 5 9.774 -12.321 5.552 29 HA SER 5 HA SER 5 11.846 -10.280 5.160 30 1HB SER 5 1HB SER 5 13.207 -12.255 5.672 31 2HB SER 5 2HB SER 5 12.322 -13.223 4.480 32 HG SER 5 HG SER 5 13.838 -10.883 3.947 33 H THR 6 H THR 6 10.476 -13.106 3.386 34 HA THR 6 HA THR 6 9.750 -11.562 1.050 35 HB THR 6 HB THR 6 8.871 -14.293 2.046 36 HG1 THR 6 HG1 THR 6 10.862 -13.480 0.193 37 1HG2 THR 6 1HG2 THR 6 8.616 -12.999 -0.702 38 2HG2 THR 6 2HG2 THR 6 8.368 -14.725 -0.373 39 3HG2 THR 6 3HG2 THR 6 7.285 -13.528 0.358 40 H CYS 7 H CYS 7 8.107 -12.725 4.003 41 HA CYS 7 HA CYS 7 5.485 -11.780 3.511 42 1HB CYS 7 1HB CYS 7 5.918 -13.279 5.312 43 2HB CYS 7 2HB CYS 7 7.126 -12.205 6.019 44 H VAL 8 H VAL 8 8.315 -10.158 5.060 45 HA VAL 8 HA VAL 8 6.984 -7.731 5.676 46 HB VAL 8 HB VAL 8 9.913 -8.448 5.307 47 1HG1 VAL 8 1HG1 VAL 8 8.707 -5.825 6.285 48 2HG1 VAL 8 2HG1 VAL 8 10.398 -6.313 6.525 49 3HG1 VAL 8 3HG1 VAL 8 9.788 -6.052 4.889 50 1HG2 VAL 8 1HG2 VAL 8 8.654 -9.469 7.228 51 2HG2 VAL 8 2HG2 VAL 8 9.935 -8.366 7.755 52 3HG2 VAL 8 3HG2 VAL 8 8.239 -7.842 7.788 53 H LEU 9 H LEU 9 9.105 -8.561 2.880 54 HA LEU 9 HA LEU 9 8.896 -6.098 1.518 55 1HB LEU 9 1HB LEU 9 9.337 -8.943 0.560 56 2HB LEU 9 2HB LEU 9 9.441 -7.553 -0.523 57 HG LEU 9 HG LEU 9 11.143 -7.753 1.997 58 1HD1 LEU 9 1HD1 LEU 9 11.605 -9.708 0.552 59 2HD1 LEU 9 2HD1 LEU 9 11.835 -8.630 -0.840 60 3HD1 LEU 9 3HD1 LEU 9 12.957 -8.564 0.536 61 1HD2 LEU 9 1HD2 LEU 9 11.412 -6.117 -0.566 62 2HD2 LEU 9 2HD2 LEU 9 10.976 -5.482 1.034 63 3HD2 LEU 9 3HD2 LEU 9 12.585 -6.157 0.765 64 H GLY 10 H GLY 10 6.834 -9.027 1.325 65 1HA GLY 10 1HA GLY 10 5.091 -8.172 -0.734 66 2HA GLY 10 2HA GLY 10 4.734 -9.356 0.534 67 H LYS 11 H LYS 11 4.927 -7.785 2.840 68 HA LYS 11 HA LYS 11 2.333 -6.683 2.922 69 1HB LYS 11 1HB LYS 11 3.452 -7.736 4.857 70 2HB LYS 11 2HB LYS 11 4.652 -6.453 4.879 71 1HG LYS 11 1HG LYS 11 2.976 -6.129 6.619 72 2HG LYS 11 2HG LYS 11 2.999 -4.790 5.479 73 1HD LYS 11 1HD LYS 11 0.752 -5.305 6.127 74 2HD LYS 11 2HD LYS 11 0.917 -5.638 4.408 75 1HE LYS 11 1HE LYS 11 1.189 -7.837 6.511 76 2HE LYS 11 2HE LYS 11 -0.391 -7.295 5.925 77 1HZ LYS 11 1HZ LYS 11 0.252 -7.843 3.720 78 2HZ LYS 11 2HZ LYS 11 1.718 -8.397 4.227 79 3HZ LYS 11 3HZ LYS 11 0.341 -9.158 4.710 80 H LEU 12 H LEU 12 5.555 -5.021 3.082 81 HA LEU 12 HA LEU 12 4.373 -2.424 3.165 82 1HB LEU 12 1HB LEU 12 6.571 -1.533 2.965 83 2HB LEU 12 2HB LEU 12 6.528 -2.892 4.081 84 HG LEU 12 HG LEU 12 7.336 -4.263 1.927 85 1HD1 LEU 12 1HD1 LEU 12 7.311 -2.289 0.358 86 2HD1 LEU 12 2HD1 LEU 12 8.460 -1.465 1.422 87 3HD1 LEU 12 3HD1 LEU 12 8.932 -2.953 0.579 88 1HD2 LEU 12 1HD2 LEU 12 8.532 -4.077 4.075 89 2HD2 LEU 12 2HD2 LEU 12 9.653 -3.933 2.711 90 3HD2 LEU 12 3HD2 LEU 12 9.149 -2.481 3.604 91 H SER 13 H SER 13 5.420 -4.491 0.441 92 HA SER 13 HA SER 13 5.210 -2.512 -1.597 93 1HB SER 13 1HB SER 13 6.332 -4.647 -1.960 94 2HB SER 13 2HB SER 13 4.806 -5.530 -1.723 95 HG SER 13 HG SER 13 5.336 -3.595 -3.732 96 H GLN 14 H GLN 14 2.832 -4.881 -0.290 97 HA GLN 14 HA GLN 14 0.647 -4.137 -1.922 98 1HB GLN 14 1HB GLN 14 0.769 -6.215 -0.625 99 2HB GLN 14 2HB GLN 14 0.656 -5.303 0.892 100 1HG GLN 14 1HG GLN 14 -1.582 -4.462 0.226 101 2HG GLN 14 2HG GLN 14 -1.458 -5.329 -1.314 102 1HE2 GLN 14 2HE2 GLN 14 -1.081 -7.775 -1.111 103 2HE2 GLN 14 1HE2 GLN 14 -1.947 -8.598 0.168 104 H GLU 15 H GLU 15 1.636 -2.992 1.354 105 HA GLU 15 HA GLU 15 -0.490 -1.263 1.883 106 1HB GLU 15 1HB GLU 15 1.168 -1.910 3.532 107 2HB GLU 15 2HB GLU 15 2.449 -1.062 2.650 108 1HG GLU 15 1HG GLU 15 1.375 1.100 3.070 109 2HG GLU 15 2HG GLU 15 -0.006 0.295 3.836 110 H LEU 16 H LEU 16 2.677 -0.445 0.370 111 HA LEU 16 HA LEU 16 2.105 2.256 -0.182 112 1HB LEU 16 1HB LEU 16 3.973 0.255 -1.496 113 2HB LEU 16 2HB LEU 16 3.974 1.973 -1.905 114 HG LEU 16 HG LEU 16 4.408 0.990 0.949 115 1HD1 LEU 16 1HD1 LEU 16 6.148 0.034 -0.531 116 2HD1 LEU 16 2HD1 LEU 16 6.490 1.653 -1.176 117 3HD1 LEU 16 3HD1 LEU 16 6.816 1.284 0.532 118 1HD2 LEU 16 1HD2 LEU 16 5.024 3.630 -0.449 119 2HD2 LEU 16 2HD2 LEU 16 3.769 3.367 0.780 120 3HD2 LEU 16 3HD2 LEU 16 5.473 3.213 1.216 121 H HIS 17 H HIS 17 1.575 -0.673 -2.205 122 HA HIS 17 HA HIS 17 0.723 0.668 -4.546 123 1HB HIS 17 1HB HIS 17 1.347 -1.690 -4.502 124 2HB HIS 17 2HB HIS 17 -0.033 -2.073 -3.467 125 HD1 HIS 17 HD1 HIS 17 0.908 -1.334 -7.025 126 HD2 HIS 17 HD2 HIS 17 -2.576 -2.003 -4.795 127 HE1 HIS 17 HE1 HIS 17 -0.985 -1.721 -8.675 128 H LYS 18 H LYS 18 -1.197 -0.640 -1.791 129 HA LYS 18 HA LYS 18 -3.744 -0.051 -2.799 130 1HB LYS 18 1HB LYS 18 -2.693 -0.282 0.041 131 2HB LYS 18 2HB LYS 18 -4.413 -0.130 -0.330 132 1HG LYS 18 1HG LYS 18 -2.741 -2.336 -1.589 133 2HG LYS 18 2HG LYS 18 -3.420 -2.485 0.041 134 1HD LYS 18 1HD LYS 18 -5.692 -2.191 -0.851 135 2HD LYS 18 2HD LYS 18 -5.042 -1.909 -2.475 136 1HE LYS 18 1HE LYS 18 -5.820 -4.200 -2.330 137 2HE LYS 18 2HE LYS 18 -4.052 -4.195 -2.474 138 1HZ LYS 18 1HZ LYS 18 -5.562 -4.518 0.021 139 2HZ LYS 18 2HZ LYS 18 -4.830 -5.727 -0.828 140 3HZ LYS 18 3HZ LYS 18 -3.919 -4.549 -0.125 141 H LEU 19 H LEU 19 -1.726 1.966 -0.550 142 HA LEU 19 HA LEU 19 -3.696 4.060 -0.538 143 1HB LEU 19 1HB LEU 19 -2.154 5.313 0.808 144 2HB LEU 19 2HB LEU 19 -2.262 3.638 1.334 145 HG LEU 19 HG LEU 19 -0.081 3.354 -0.188 146 1HD1 LEU 19 1HD1 LEU 19 -0.007 5.735 -0.988 147 2HD1 LEU 19 2HD1 LEU 19 0.090 6.272 0.697 148 3HD1 LEU 19 3HD1 LEU 19 1.403 5.314 -0.013 149 1HD2 LEU 19 1HD2 LEU 19 -0.246 2.889 2.232 150 2HD2 LEU 19 2HD2 LEU 19 1.271 3.716 1.840 151 3HD2 LEU 19 3HD2 LEU 19 -0.068 4.621 2.580 152 H GLN 20 H GLN 20 -0.874 3.448 -2.616 153 HA GLN 20 HA GLN 20 -0.789 6.081 -3.738 154 1HB GLN 20 1HB GLN 20 1.108 4.585 -3.905 155 2HB GLN 20 2HB GLN 20 0.157 3.386 -4.793 156 1HG GLN 20 1HG GLN 20 1.620 4.619 -6.290 157 2HG GLN 20 2HG GLN 20 -0.063 4.936 -6.704 158 1HE2 GLN 20 2HE2 GLN 20 -0.958 7.055 -6.257 159 2HE2 GLN 20 1HE2 GLN 20 0.087 8.427 -5.953 160 H THR 21 H THR 21 -1.993 3.002 -5.148 161 HA THR 21 HA THR 21 -4.028 4.493 -6.736 162 HB THR 21 HB THR 21 -2.661 3.297 -8.191 163 HG1 THR 21 HG1 THR 21 -4.843 3.069 -8.599 164 1HG2 THR 21 1HG2 THR 21 -2.967 0.787 -6.500 165 2HG2 THR 21 2HG2 THR 21 -2.259 0.882 -8.119 166 3HG2 THR 21 3HG2 THR 21 -1.474 1.719 -6.779 167 H TYR 22 H TYR 22 -5.330 4.850 -4.868 168 HA TYR 22 HA TYR 22 -6.524 2.790 -3.359 169 1HB TYR 22 1HB TYR 22 -8.200 4.330 -2.727 170 2HB TYR 22 2HB TYR 22 -6.623 5.102 -2.698 171 HD1 TYR 22 HD1 TYR 22 -9.819 4.825 -4.632 172 HD2 TYR 22 HD2 TYR 22 -6.199 7.086 -3.998 173 HE1 TYR 22 HE1 TYR 22 -10.645 6.584 -6.164 174 HE2 TYR 22 HE2 TYR 22 -7.063 8.875 -5.476 175 HH TYR 22 HH TYR 22 -8.783 9.568 -6.840 176 HA PRO 23 HA PRO 23 -9.804 2.372 -6.881 177 1HB PRO 23 1HB PRO 23 -7.861 2.457 -9.189 178 2HB PRO 23 2HB PRO 23 -9.596 2.886 -9.172 179 1HG PRO 23 1HG PRO 23 -7.744 4.847 -9.140 180 2HG PRO 23 2HG PRO 23 -9.128 4.941 -8.006 181 1HD PRO 23 1HD PRO 23 -6.364 3.843 -7.474 182 2HD PRO 23 2HD PRO 23 -7.220 5.098 -6.561 183 H ARG 24 H ARG 24 -6.389 1.397 -7.317 184 HA ARG 24 HA ARG 24 -5.316 -0.528 -7.041 185 1HB ARG 24 1HB ARG 24 -7.385 -0.939 -5.368 186 2HB ARG 24 2HB ARG 24 -7.740 -2.233 -6.517 187 1HG ARG 24 1HG ARG 24 -5.127 -1.789 -4.995 188 2HG ARG 24 2HG ARG 24 -6.420 -2.906 -4.538 189 1HD ARG 24 1HD ARG 24 -6.072 -4.140 -6.692 190 2HD ARG 24 2HD ARG 24 -4.678 -3.086 -7.002 191 HE ARG 24 HE ARG 24 -4.720 -4.515 -4.439 192 1HH1 ARG 24 1HH2 ARG 24 -3.429 -4.498 -7.773 193 2HH1 ARG 24 2HH2 ARG 24 -2.072 -5.512 -7.349 194 1HH2 ARG 24 1HH1 ARG 24 -2.938 -5.817 -3.949 195 2HH2 ARG 24 2HH1 ARG 24 -1.798 -6.266 -5.197 196 H THR 25 H THR 25 -4.538 -1.914 -8.583 197 HA THR 25 HA THR 25 -5.815 -1.956 -11.177 198 HB THR 25 HB THR 25 -3.715 -3.078 -11.845 199 HG1 THR 25 HG1 THR 25 -3.422 -4.248 -9.893 200 1HG2 THR 25 1HG2 THR 25 -3.783 -0.604 -11.676 201 2HG2 THR 25 2HG2 THR 25 -3.206 -0.704 -9.998 202 3HG2 THR 25 3HG2 THR 25 -2.175 -1.268 -11.325 203 H ASP 26 H ASP 26 -7.586 -3.229 -9.605 204 HA ASP 26 HA ASP 26 -7.826 -5.833 -10.870 205 1HB ASP 26 1HB ASP 26 -7.731 -5.563 -7.824 206 2HB ASP 26 2HB ASP 26 -8.418 -6.945 -8.682 207 H VAL 27 H VAL 27 -9.097 -3.747 -8.231 208 HA VAL 27 HA VAL 27 -11.861 -4.370 -8.894 209 HB VAL 27 HB VAL 27 -10.655 -2.444 -6.863 210 1HG1 VAL 27 1HG1 VAL 27 -13.486 -3.547 -7.163 211 2HG1 VAL 27 2HG1 VAL 27 -12.892 -2.594 -5.789 212 3HG1 VAL 27 3HG1 VAL 27 -12.997 -1.855 -7.391 213 1HG2 VAL 27 1HG2 VAL 27 -11.682 -5.301 -6.566 214 2HG2 VAL 27 2HG2 VAL 27 -9.995 -4.771 -6.391 215 3HG2 VAL 27 3HG2 VAL 27 -11.212 -4.230 -5.230 216 H GLY 28 H GLY 28 -9.901 -1.332 -8.759 217 1HA GLY 28 1HA GLY 28 -10.029 0.584 -10.021 218 2HA GLY 28 2HA GLY 28 -11.237 -0.160 -11.080 219 H ALA 29 H ALA 29 -10.971 0.599 -7.577 220 HA ALA 29 HA ALA 29 -13.793 1.224 -7.321 221 1HB ALA 29 1HB ALA 29 -12.494 -0.023 -5.614 222 2HB ALA 29 2HB ALA 29 -11.498 1.418 -5.327 223 3HB ALA 29 3HB ALA 29 -13.232 1.440 -4.943 224 H GLY 30 H GLY 30 -14.272 3.183 -5.822 225 1HA GLY 30 1HA GLY 30 -12.810 5.670 -6.592 226 2HA GLY 30 2HA GLY 30 -14.565 5.540 -6.797 227 H THR 31 H THR 31 -11.940 5.150 -4.389 228 HA THR 31 HA THR 31 -13.563 4.813 -2.156 229 HB THR 31 HB THR 31 -10.707 5.856 -2.201 230 HG1 THR 31 HG1 THR 31 -10.266 3.648 -2.008 231 1HG2 THR 31 1HG2 THR 31 -12.332 4.446 -0.045 232 2HG2 THR 31 2HG2 THR 31 -10.589 4.779 0.016 233 3HG2 THR 31 3HG2 THR 31 -11.741 6.123 0.018 234 HA PRO 32 HA PRO 32 -13.133 9.591 -1.253 235 1HB PRO 32 1HB PRO 32 -13.321 10.517 -4.124 236 2HB PRO 32 2HB PRO 32 -12.545 11.335 -2.736 237 1HG PRO 32 1HG PRO 32 -11.018 10.000 -4.522 238 2HG PRO 32 2HG PRO 32 -10.719 9.762 -2.772 239 1HD PRO 32 1HD PRO 32 -12.328 8.003 -4.641 240 2HD PRO 32 2HD PRO 32 -11.052 7.546 -3.474 241 H1 NAG 300 H1 NAG 3 8.099 -15.693 3.679 242 H2 NAG 300 H2 NAG 3 9.165 -18.419 2.760 243 H3 NAG 300 H3 NAG 3 7.758 -16.176 1.265 244 H4 NAG 300 H4 NAG 3 6.884 -19.007 1.948 245 H5 NAG 300 H5 NAG 3 5.851 -16.333 3.018 246 1H6 NAG 300 1H6 NAG 3 5.165 -19.234 3.678 247 2H6 NAG 300 2H6 NAG 3 4.095 -18.043 2.899 248 1H8 NAG 300 1H8 NAG 3 12.640 -16.191 1.107 249 2H8 NAG 300 2H8 NAG 3 12.526 -15.250 2.614 250 3H8 NAG 300 3H8 NAG 3 13.548 -16.702 2.547 251 HN2 NAG 300 HN2 NAG 3 10.164 -15.858 1.660 252 HO4 NAG 300 HO4 NAG 3 5.540 -16.812 0.681 253 HO3 NAG 300 HO3 NAG 3 7.860 -17.733 -0.456 254 HO6 NAG 300 HO6 NAG 3 3.730 -18.254 5.157 255 1HN NH2 33 1HN NH2 33 -16.581 10.433 -1.617 256 2HN NH2 33 2HN NH2 33 -15.044 10.833 -0.880 Start of MODEL 5 1 1H CYS 1 1H CYS 1 3.224 -16.949 9.039 2 2H CYS 1 2H CYS 1 3.151 -15.439 9.698 3 3H CYS 1 3H CYS 1 2.540 -15.712 8.191 4 HA CYS 1 HA CYS 1 4.675 -16.196 7.321 5 1HB CYS 1 1HB CYS 1 4.505 -13.554 8.799 6 2HB CYS 1 2HB CYS 1 5.703 -13.961 7.557 7 H SER 2 H SER 2 6.282 -17.507 7.872 8 HA SER 2 HA SER 2 7.348 -17.614 10.591 9 1HB SER 2 1HB SER 2 6.889 -19.667 9.344 10 2HB SER 2 2HB SER 2 8.019 -19.182 8.065 11 HG SER 2 HG SER 2 8.658 -19.599 10.801 12 H ASN 3 H ASN 3 8.742 -17.139 7.297 13 HA ASN 3 HA ASN 3 11.329 -16.492 8.223 14 1HB ASN 3 1HB ASN 3 11.793 -15.823 5.925 15 2HB ASN 3 2HB ASN 3 10.959 -17.375 6.016 16 1HD2 ASN 3 1HD2 ASN 3 8.787 -17.544 5.297 17 H LEU 4 H LEU 4 8.576 -14.378 7.386 18 HA LEU 4 HA LEU 4 8.230 -12.162 7.551 19 1HB LEU 4 1HB LEU 4 10.171 -12.423 9.885 20 2HB LEU 4 2HB LEU 4 9.149 -11.018 9.590 21 HG LEU 4 HG LEU 4 7.968 -13.798 9.946 22 1HD1 LEU 4 1HD1 LEU 4 8.520 -11.699 12.080 23 2HD1 LEU 4 2HD1 LEU 4 7.575 -13.189 12.302 24 3HD1 LEU 4 3HD1 LEU 4 9.307 -13.287 11.938 25 1HD2 LEU 4 1HD2 LEU 4 6.828 -10.985 10.322 26 2HD2 LEU 4 2HD2 LEU 4 6.480 -12.049 8.948 27 3HD2 LEU 4 3HD2 LEU 4 5.954 -12.507 10.575 28 H SER 5 H SER 5 9.667 -12.584 5.465 29 HA SER 5 HA SER 5 11.542 -10.297 5.309 30 1HB SER 5 1HB SER 5 12.238 -13.144 4.430 31 2HB SER 5 2HB SER 5 13.179 -11.681 4.071 32 HG SER 5 HG SER 5 13.360 -11.393 6.356 33 H THR 6 H THR 6 10.405 -13.071 3.314 34 HA THR 6 HA THR 6 9.828 -11.506 0.976 35 HB THR 6 HB THR 6 8.787 -14.206 1.899 36 HG1 THR 6 HG1 THR 6 11.008 -13.514 0.281 37 1HG2 THR 6 1HG2 THR 6 8.905 -12.973 -0.884 38 2HG2 THR 6 2HG2 THR 6 8.515 -14.669 -0.534 39 3HG2 THR 6 3HG2 THR 6 7.435 -13.385 0.033 40 H CYS 7 H CYS 7 7.908 -12.778 3.714 41 HA CYS 7 HA CYS 7 5.353 -11.811 2.983 42 1HB CYS 7 1HB CYS 7 5.627 -13.484 4.657 43 2HB CYS 7 2HB CYS 7 6.665 -12.452 5.640 44 H VAL 8 H VAL 8 7.968 -10.294 4.954 45 HA VAL 8 HA VAL 8 6.506 -7.958 5.652 46 HB VAL 8 HB VAL 8 9.476 -8.586 5.528 47 1HG1 VAL 8 1HG2 VAL 8 8.101 -6.084 6.598 48 2HG1 VAL 8 2HG2 VAL 8 9.774 -6.555 6.964 49 3HG1 VAL 8 3HG2 VAL 8 9.321 -6.163 5.304 50 1HG2 VAL 8 1HG1 VAL 8 8.072 -9.802 7.214 51 2HG2 VAL 8 2HG1 VAL 8 9.233 -8.699 7.973 52 3HG2 VAL 8 3HG1 VAL 8 7.523 -8.243 7.852 53 H LEU 9 H LEU 9 8.939 -8.488 3.041 54 HA LEU 9 HA LEU 9 8.772 -5.931 1.856 55 1HB LEU 9 1HB LEU 9 9.414 -8.673 0.725 56 2HB LEU 9 2HB LEU 9 9.582 -7.190 -0.218 57 HG LEU 9 HG LEU 9 11.024 -7.584 2.439 58 1HD1 LEU 9 1HD1 LEU 9 11.698 -9.370 0.861 59 2HD1 LEU 9 2HD1 LEU 9 12.032 -8.147 -0.383 60 3HD1 LEU 9 3HD1 LEU 9 13.003 -8.197 1.104 61 1HD2 LEU 9 1HD2 LEU 9 11.484 -5.689 0.091 62 2HD2 LEU 9 2HD2 LEU 9 10.874 -5.233 1.695 63 3HD2 LEU 9 3HD2 LEU 9 12.524 -5.835 1.520 64 H GLY 10 H GLY 10 6.851 -8.895 1.248 65 1HA GLY 10 1HA GLY 10 5.301 -7.958 -0.924 66 2HA GLY 10 2HA GLY 10 4.855 -9.229 0.227 67 H LYS 11 H LYS 11 4.730 -7.827 2.629 68 HA LYS 11 HA LYS 11 2.109 -6.799 2.487 69 1HB LYS 11 1HB LYS 11 3.012 -7.973 4.441 70 2HB LYS 11 2HB LYS 11 4.180 -6.683 4.714 71 1HG LYS 11 1HG LYS 11 2.290 -6.534 6.260 72 2HG LYS 11 2HG LYS 11 2.422 -5.094 5.254 73 1HD LYS 11 1HD LYS 11 0.097 -5.771 5.565 74 2HD LYS 11 2HD LYS 11 0.532 -5.853 3.857 75 1HE LYS 11 1HE LYS 11 0.766 -8.310 4.013 76 2HE LYS 11 2HE LYS 11 0.469 -8.241 5.763 77 1HZ LYS 11 1HZ LYS 11 -1.419 -7.447 3.665 78 2HZ LYS 11 2HZ LYS 11 -1.472 -8.845 4.537 79 3HZ LYS 11 3HZ LYS 11 -1.704 -7.395 5.288 80 H LEU 12 H LEU 12 5.247 -5.085 3.125 81 HA LEU 12 HA LEU 12 3.987 -2.528 3.292 82 1HB LEU 12 1HB LEU 12 6.167 -1.575 3.388 83 2HB LEU 12 2HB LEU 12 6.048 -3.017 4.388 84 HG LEU 12 HG LEU 12 7.116 -4.200 2.238 85 1HD1 LEU 12 1HD2 LEU 12 7.196 -2.116 0.823 86 2HD1 LEU 12 2HD2 LEU 12 8.202 -1.348 2.060 87 3HD1 LEU 12 3HD2 LEU 12 8.805 -2.756 1.167 88 1HD2 LEU 12 1HD1 LEU 12 8.078 -4.154 4.508 89 2HD2 LEU 12 2HD1 LEU 12 9.329 -3.875 3.286 90 3HD2 LEU 12 3HD1 LEU 12 8.688 -2.511 4.226 91 H SER 13 H SER 13 5.380 -4.333 0.534 92 HA SER 13 HA SER 13 5.283 -2.195 -1.351 93 1HB SER 13 1HB SER 13 6.540 -4.249 -1.757 94 2HB SER 13 2HB SER 13 5.040 -5.205 -1.761 95 HG SER 13 HG SER 13 5.688 -3.086 -3.535 96 H GLN 14 H GLN 14 2.916 -4.748 -0.468 97 HA GLN 14 HA GLN 14 0.844 -4.031 -2.242 98 1HB GLN 14 1HB GLN 14 0.962 -6.160 -1.059 99 2HB GLN 14 2HB GLN 14 0.753 -5.346 0.501 100 1HG GLN 14 1HG GLN 14 -1.516 -4.612 -0.177 101 2HG GLN 14 2HG GLN 14 -1.277 -5.346 -1.772 102 1HE2 GLN 14 2HE2 GLN 14 -1.055 -6.206 1.741 103 2HE2 GLN 14 1HE2 GLN 14 -1.773 -7.793 1.569 104 H GLU 15 H GLU 15 1.555 -2.931 1.112 105 HA GLU 15 HA GLU 15 -0.779 -1.377 1.461 106 1HB GLU 15 1HB GLU 15 0.650 -2.117 3.309 107 2HB GLU 15 2HB GLU 15 1.991 -1.134 2.709 108 1HG GLU 15 1HG GLU 15 0.887 -0.033 4.584 109 2HG GLU 15 2HG GLU 15 0.710 0.932 3.122 110 H LEU 16 H LEU 16 2.549 -0.387 0.488 111 HA LEU 16 HA LEU 16 2.005 2.349 0.102 112 1HB LEU 16 1HB LEU 16 4.050 0.474 -1.134 113 2HB LEU 16 2HB LEU 16 4.069 2.217 -1.417 114 HG LEU 16 HG LEU 16 4.180 1.042 1.393 115 1HD1 LEU 16 1HD1 LEU 16 6.095 0.194 0.067 116 2HD1 LEU 16 2HD1 LEU 16 6.491 1.855 -0.421 117 3HD1 LEU 16 3HD1 LEU 16 6.618 1.371 1.284 118 1HD2 LEU 16 1HD2 LEU 16 4.934 3.771 0.255 119 2HD2 LEU 16 2HD2 LEU 16 3.540 3.425 1.300 120 3HD2 LEU 16 3HD2 LEU 16 5.179 3.246 1.933 121 H HIS 17 H HIS 17 1.793 -0.407 -2.190 122 HA HIS 17 HA HIS 17 1.080 1.094 -4.495 123 1HB HIS 17 1HB HIS 17 1.811 -1.207 -4.651 124 2HB HIS 17 2HB HIS 17 0.449 -1.762 -3.668 125 HD1 HIS 17 HD1 HIS 17 -1.865 -1.985 -4.782 126 HD2 HIS 17 HD2 HIS 17 1.076 -0.438 -7.336 127 HE1 HIS 17 HE1 HIS 17 -2.840 -1.953 -7.129 128 H LYS 18 H LYS 18 -0.925 -0.417 -1.912 129 HA LYS 18 HA LYS 18 -3.404 0.007 -3.133 130 1HB LYS 18 1HB LYS 18 -3.018 -1.562 -1.278 131 2HB LYS 18 2HB LYS 18 -2.701 -0.223 -0.179 132 1HG LYS 18 1HG LYS 18 -4.945 -1.110 0.146 133 2HG LYS 18 2HG LYS 18 -4.999 0.569 -0.373 134 1HD LYS 18 1HD LYS 18 -6.736 -0.787 -1.460 135 2HD LYS 18 2HD LYS 18 -5.637 -0.078 -2.639 136 1HE LYS 18 1HE LYS 18 -6.222 -2.402 -3.203 137 2HE LYS 18 2HE LYS 18 -4.486 -2.244 -2.922 138 1HZ LYS 18 1HZ LYS 18 -6.455 -3.251 -0.989 139 2HZ LYS 18 2HZ LYS 18 -5.406 -4.170 -1.869 140 3HZ LYS 18 3HZ LYS 18 -4.831 -3.128 -0.729 141 H LEU 19 H LEU 19 -1.748 2.031 -0.628 142 HA LEU 19 HA LEU 19 -3.821 4.008 -0.624 143 1HB LEU 19 1HB LEU 19 -2.421 5.282 0.835 144 2HB LEU 19 2HB LEU 19 -2.434 3.580 1.278 145 HG LEU 19 HG LEU 19 -0.181 3.511 -0.155 146 1HD1 LEU 19 1HD1 LEU 19 -0.240 5.934 -0.851 147 2HD1 LEU 19 2HD1 LEU 19 -0.244 6.395 0.858 148 3HD1 LEU 19 3HD1 LEU 19 1.157 5.560 0.160 149 1HD2 LEU 19 1HD2 LEU 19 -0.385 4.650 2.660 150 2HD2 LEU 19 2HD2 LEU 19 -0.395 2.930 2.221 151 3HD2 LEU 19 3HD2 LEU 19 1.059 3.901 1.947 152 H GLN 20 H GLN 20 -0.864 3.637 -2.570 153 HA GLN 20 HA GLN 20 -0.831 6.305 -3.591 154 1HB GLN 20 1HB GLN 20 1.130 4.868 -3.663 155 2HB GLN 20 2HB GLN 20 0.287 3.694 -4.687 156 1HG GLN 20 1HG GLN 20 1.820 5.028 -6.004 157 2HG GLN 20 2HG GLN 20 0.169 5.356 -6.520 158 1HE2 GLN 20 2HE2 GLN 20 -0.782 7.440 -6.005 159 2HE2 GLN 20 1HE2 GLN 20 0.226 8.799 -5.551 160 H THR 21 H THR 21 -2.066 3.212 -4.936 161 HA THR 21 HA THR 21 -3.229 4.235 -7.296 162 HB THR 21 HB THR 21 -3.958 1.784 -5.629 163 HG1 THR 21 HG1 THR 21 -1.818 1.792 -6.292 164 1HG2 THR 21 1HG2 THR 21 -4.522 2.447 -8.554 165 2HG2 THR 21 2HG2 THR 21 -4.790 0.870 -7.783 166 3HG2 THR 21 3HG2 THR 21 -5.739 2.272 -7.270 167 H TYR 22 H TYR 22 -4.609 3.619 -4.051 168 HA TYR 22 HA TYR 22 -6.496 4.206 -3.015 169 1HB TYR 22 1HB TYR 22 -5.491 6.398 -3.175 170 2HB TYR 22 2HB TYR 22 -6.227 6.677 -4.746 171 HD1 TYR 22 HD1 TYR 22 -7.479 5.502 -1.356 172 HD2 TYR 22 HD2 TYR 22 -7.921 8.278 -4.633 173 HE1 TYR 22 HE1 TYR 22 -9.360 6.594 -0.183 174 HE2 TYR 22 HE2 TYR 22 -9.744 9.415 -3.417 175 HH TYR 22 HH TYR 22 -10.854 8.344 -0.180 176 HA PRO 23 HA PRO 23 -9.167 2.763 -6.572 177 1HB PRO 23 1HB PRO 23 -9.861 0.309 -5.600 178 2HB PRO 23 2HB PRO 23 -8.332 0.612 -6.474 179 1HG PRO 23 1HG PRO 23 -8.739 0.493 -3.476 180 2HG PRO 23 2HG PRO 23 -7.487 -0.322 -4.453 181 1HD PRO 23 1HD PRO 23 -7.030 2.035 -3.158 182 2HD PRO 23 2HD PRO 23 -6.284 1.682 -4.744 183 H ARG 24 H ARG 24 -10.951 4.019 -6.300 184 HA ARG 24 HA ARG 24 -12.063 4.569 -3.733 185 1HB ARG 24 1HB ARG 24 -13.045 5.225 -6.536 186 2HB ARG 24 2HB ARG 24 -13.785 5.802 -5.032 187 1HG ARG 24 1HG ARG 24 -11.588 6.840 -4.387 188 2HG ARG 24 2HG ARG 24 -10.917 6.335 -5.944 189 1HD ARG 24 1HD ARG 24 -11.640 8.691 -6.029 190 2HD ARG 24 2HD ARG 24 -12.573 7.687 -7.144 191 HE ARG 24 HE ARG 24 -14.488 8.129 -5.988 192 1HH1 ARG 24 1HH2 ARG 24 -11.759 9.042 -3.896 193 2HH1 ARG 24 2HH2 ARG 24 -12.793 9.685 -2.643 194 1HH2 ARG 24 1HH1 ARG 24 -15.806 8.948 -4.329 195 2HH2 ARG 24 2HH1 ARG 24 -15.090 9.642 -2.896 196 H THR 25 H THR 25 -13.176 3.114 -2.598 197 HA THR 25 HA THR 25 -14.771 1.010 -3.805 198 HB THR 25 HB THR 25 -15.338 0.543 -1.397 199 HG1 THR 25 HG1 THR 25 -14.114 1.704 0.138 200 1HG2 THR 25 1HG2 THR 25 -13.398 -0.530 -2.515 201 2HG2 THR 25 2HG2 THR 25 -12.361 0.823 -2.011 202 3HG2 THR 25 3HG2 THR 25 -13.094 -0.236 -0.792 203 H ASP 26 H ASP 26 -15.543 3.766 -1.625 204 HA ASP 26 HA ASP 26 -18.399 3.617 -2.413 205 1HB ASP 26 1HB ASP 26 -16.943 4.974 -0.117 206 2HB ASP 26 2HB ASP 26 -18.683 5.081 -0.401 207 H VAL 27 H VAL 27 -19.545 5.755 -2.426 208 HA VAL 27 HA VAL 27 -18.358 7.523 -4.430 209 HB VAL 27 HB VAL 27 -21.072 7.534 -3.042 210 1HG1 VAL 27 1HG1 VAL 27 -20.052 9.097 -5.457 211 2HG1 VAL 27 2HG1 VAL 27 -21.742 9.030 -4.917 212 3HG1 VAL 27 3HG1 VAL 27 -20.520 9.783 -3.886 213 1HG2 VAL 27 1HG2 VAL 27 -20.215 6.538 -5.797 214 2HG2 VAL 27 2HG2 VAL 27 -20.754 5.523 -4.442 215 3HG2 VAL 27 3HG2 VAL 27 -21.888 6.640 -5.211 216 H GLY 28 H GLY 28 -19.610 7.775 -1.060 217 1HA GLY 28 1HA GLY 28 -18.590 10.474 -0.626 218 2HA GLY 28 2HA GLY 28 -19.296 9.366 0.561 219 H ALA 29 H ALA 29 -16.375 10.163 -1.241 220 HA ALA 29 HA ALA 29 -14.185 9.834 -0.962 221 1HB ALA 29 1HB ALA 29 -14.518 10.415 1.442 222 2HB ALA 29 2HB ALA 29 -14.681 8.682 1.810 223 3HB ALA 29 3HB ALA 29 -13.169 9.307 1.137 224 H GLY 30 H GLY 30 -12.534 8.066 -0.961 225 1HA GLY 30 1HA GLY 30 -13.645 5.658 -2.205 226 2HA GLY 30 2HA GLY 30 -11.946 6.144 -2.060 227 H THR 31 H THR 31 -14.517 5.608 0.377 228 HA THR 31 HA THR 31 -13.392 3.278 1.573 229 HB THR 31 HB THR 31 -11.621 4.736 2.328 230 HG1 THR 31 HG1 THR 31 -11.958 4.586 4.558 231 1HG2 THR 31 1HG2 THR 31 -12.707 6.955 2.064 232 2HG2 THR 31 2HG2 THR 31 -13.737 6.614 3.474 233 3HG2 THR 31 3HG2 THR 31 -11.983 6.747 3.662 234 HA PRO 32 HA PRO 32 -17.632 3.676 3.032 235 1HB PRO 32 1HB PRO 32 -17.827 1.586 4.764 236 2HB PRO 32 2HB PRO 32 -17.622 1.344 3.005 237 1HG PRO 32 1HG PRO 32 -15.451 1.340 5.125 238 2HG PRO 32 2HG PRO 32 -15.763 0.090 3.883 239 1HD PRO 32 1HD PRO 32 -13.904 2.029 3.508 240 2HD PRO 32 2HD PRO 32 -14.936 1.487 2.154 241 H1 NAG 300 H1 NAG 3 7.833 -15.324 3.539 242 H2 NAG 300 H2 NAG 3 8.357 -18.235 2.735 243 H3 NAG 300 H3 NAG 3 7.350 -15.854 1.135 244 H4 NAG 300 H4 NAG 3 5.988 -18.431 2.007 245 H5 NAG 300 H5 NAG 3 5.520 -15.549 2.914 246 1H6 NAG 300 1H6 NAG 3 4.293 -18.177 3.867 247 2H6 NAG 300 2H6 NAG 3 3.467 -16.967 2.856 248 1H8 NAG 300 1H8 NAG 3 12.102 -16.707 0.885 249 2H8 NAG 300 2H8 NAG 3 12.282 -15.824 2.420 250 3H8 NAG 300 3H8 NAG 3 12.960 -17.457 2.249 251 HN2 NAG 300 HN2 NAG 3 9.784 -15.933 1.519 252 HO4 NAG 300 HO4 NAG 3 5.314 -17.524 -0.024 253 HO3 NAG 300 HO3 NAG 3 7.791 -18.603 0.443 254 HO6 NAG 300 HO6 NAG 3 3.786 -15.466 4.540 255 1HN NH2 33 1HN NH2 33 -18.861 4.218 4.988 256 2HN NH2 33 2HN NH2 33 -18.044 4.943 6.356 Start of MODEL 6 1 1H CYS 1 1H CYS 1 2.527 -15.381 6.348 2 2H CYS 1 2H CYS 1 2.376 -15.451 7.989 3 3H CYS 1 3H CYS 1 1.816 -14.137 7.165 4 HA CYS 1 HA CYS 1 3.977 -13.543 6.480 5 1HB CYS 1 1HB CYS 1 3.041 -12.584 8.507 6 2HB CYS 1 2HB CYS 1 3.664 -13.901 9.485 7 H SER 2 H SER 2 4.984 -15.370 9.338 8 HA SER 2 HA SER 2 6.546 -16.932 9.710 9 1HB SER 2 1HB SER 2 5.228 -18.192 7.269 10 2HB SER 2 2HB SER 2 6.125 -19.047 8.542 11 HG SER 2 HG SER 2 3.873 -19.074 8.881 12 H ASN 3 H ASN 3 7.769 -14.819 8.332 13 HA ASN 3 HA ASN 3 10.093 -16.235 7.198 14 1HB ASN 3 1HB ASN 3 8.504 -14.134 5.667 15 2HB ASN 3 2HB ASN 3 10.175 -14.564 5.295 16 1HD2 ASN 3 1HD2 ASN 3 6.934 -15.277 4.680 17 H LEU 4 H LEU 4 8.561 -13.069 7.847 18 HA LEU 4 HA LEU 4 9.324 -11.082 8.526 19 1HB LEU 4 1HB LEU 4 11.583 -12.552 9.937 20 2HB LEU 4 2HB LEU 4 11.014 -10.915 10.257 21 HG LEU 4 HG LEU 4 9.369 -13.452 10.691 22 1HD1 LEU 4 1HD1 LEU 4 11.275 -13.265 12.240 23 2HD1 LEU 4 2HD1 LEU 4 10.773 -11.617 12.674 24 3HD1 LEU 4 3HD1 LEU 4 9.736 -13.002 13.079 25 1HD2 LEU 4 1HD2 LEU 4 8.808 -10.536 11.410 26 2HD2 LEU 4 2HD2 LEU 4 7.912 -11.514 10.228 27 3HD2 LEU 4 3HD2 LEU 4 7.846 -11.930 11.943 28 H SER 5 H SER 5 9.926 -11.857 5.971 29 HA SER 5 HA SER 5 12.084 -10.075 5.277 30 1HB SER 5 1HB SER 5 13.483 -12.012 5.816 31 2HB SER 5 2HB SER 5 12.477 -13.073 4.819 32 HG SER 5 HG SER 5 13.954 -10.821 3.919 33 H THR 6 H THR 6 10.660 -13.016 3.766 34 HA THR 6 HA THR 6 9.702 -11.729 1.388 35 HB THR 6 HB THR 6 8.939 -14.295 2.827 36 HG1 THR 6 HG1 THR 6 10.591 -13.778 0.591 37 1HG2 THR 6 1HG2 THR 6 8.209 -13.398 0.015 38 2HG2 THR 6 2HG2 THR 6 8.009 -15.043 0.658 39 3HG2 THR 6 3HG2 THR 6 7.083 -13.708 1.358 40 H CYS 7 H CYS 7 8.330 -12.479 4.577 41 HA CYS 7 HA CYS 7 5.675 -11.567 4.266 42 1HB CYS 7 1HB CYS 7 6.375 -12.893 6.137 43 2HB CYS 7 2HB CYS 7 7.597 -11.707 6.603 44 H VAL 8 H VAL 8 8.656 -9.834 5.333 45 HA VAL 8 HA VAL 8 7.393 -7.348 5.862 46 HB VAL 8 HB VAL 8 10.284 -8.068 5.239 47 1HG1 VAL 8 1HG2 VAL 8 9.107 -5.453 6.273 48 2HG1 VAL 8 2HG2 VAL 8 10.829 -5.883 6.334 49 3HG1 VAL 8 3HG2 VAL 8 10.032 -5.692 4.771 50 1HG2 VAL 8 1HG1 VAL 8 9.316 -9.082 7.304 51 2HG2 VAL 8 2HG1 VAL 8 10.565 -7.885 7.673 52 3HG2 VAL 8 3HG1 VAL 8 8.849 -7.467 7.865 53 H LEU 9 H LEU 9 9.196 -8.501 2.969 54 HA LEU 9 HA LEU 9 8.911 -6.172 1.391 55 1HB LEU 9 1HB LEU 9 9.203 -9.110 0.685 56 2HB LEU 9 2HB LEU 9 9.256 -7.827 -0.526 57 HG LEU 9 HG LEU 9 11.154 -7.868 1.860 58 1HD1 LEU 9 1HD1 LEU 9 11.581 -9.018 -0.929 59 2HD1 LEU 9 2HD1 LEU 9 12.818 -8.865 0.338 60 3HD1 LEU 9 3HD1 LEU 9 11.441 -9.954 0.574 61 1HD2 LEU 9 1HD2 LEU 9 11.259 -6.469 -0.850 62 2HD2 LEU 9 2HD2 LEU 9 10.974 -5.684 0.717 63 3HD2 LEU 9 3HD2 LEU 9 12.536 -6.437 0.382 64 H GLY 10 H GLY 10 6.809 -9.071 1.670 65 1HA GLY 10 1HA GLY 10 4.889 -8.377 -0.289 66 2HA GLY 10 2HA GLY 10 4.640 -9.433 1.112 67 H LYS 11 H LYS 11 5.043 -7.690 3.232 68 HA LYS 11 HA LYS 11 2.510 -6.500 3.532 69 1HB LYS 11 1HB LYS 11 3.852 -7.354 5.375 70 2HB LYS 11 2HB LYS 11 5.091 -6.132 5.086 71 1HG LYS 11 1HG LYS 11 3.347 -4.346 5.636 72 2HG LYS 11 2HG LYS 11 2.207 -5.664 5.936 73 1HD LYS 11 1HD LYS 11 2.900 -5.244 8.071 74 2HD LYS 11 2HD LYS 11 4.063 -6.502 7.642 75 1HE LYS 11 1HE LYS 11 4.525 -3.473 7.585 76 2HE LYS 11 2HE LYS 11 5.101 -4.594 8.829 77 1HZ LYS 11 1HZ LYS 11 6.406 -5.681 7.134 78 2HZ LYS 11 2HZ LYS 11 5.928 -4.559 6.021 79 3HZ LYS 11 3HZ LYS 11 6.821 -4.096 7.324 80 H LEU 12 H LEU 12 5.745 -4.884 3.148 81 HA LEU 12 HA LEU 12 4.579 -2.284 3.067 82 1HB LEU 12 1HB LEU 12 6.752 -1.438 2.589 83 2HB LEU 12 2HB LEU 12 6.805 -2.680 3.833 84 HG LEU 12 HG LEU 12 7.425 -4.264 1.769 85 1HD1 LEU 12 1HD2 LEU 12 7.258 -2.470 0.009 86 2HD1 LEU 12 2HD2 LEU 12 8.487 -1.540 0.879 87 3HD1 LEU 12 3HD2 LEU 12 8.896 -3.109 0.160 88 1HD2 LEU 12 1HD1 LEU 12 8.805 -3.855 3.777 89 2HD2 LEU 12 2HD1 LEU 12 9.797 -3.878 2.310 90 3HD2 LEU 12 3HD1 LEU 12 9.380 -2.330 3.075 91 H SER 13 H SER 13 5.378 -4.612 0.470 92 HA SER 13 HA SER 13 5.003 -2.827 -1.717 93 1HB SER 13 1HB SER 13 6.075 -5.009 -1.959 94 2HB SER 13 2HB SER 13 4.559 -5.837 -1.536 95 HG SER 13 HG SER 13 3.630 -4.856 -3.384 96 H GLN 14 H GLN 14 2.740 -5.042 -0.016 97 HA GLN 14 HA GLN 14 0.401 -4.456 -1.472 98 1HB GLN 14 1HB GLN 14 0.606 -6.367 -0.042 99 2HB GLN 14 2HB GLN 14 0.833 -5.382 1.401 100 1HG GLN 14 1HG GLN 14 -1.688 -5.298 -0.314 101 2HG GLN 14 2HG GLN 14 -1.472 -6.428 1.027 102 1HE2 GLN 14 2HE2 GLN 14 -3.271 -3.918 0.488 103 2HE2 GLN 14 1HE2 GLN 14 -3.150 -3.038 1.995 104 H GLU 15 H GLU 15 1.708 -2.945 1.528 105 HA GLU 15 HA GLU 15 -0.438 -1.196 1.990 106 1HB GLU 15 1HB GLU 15 1.279 -1.768 3.657 107 2HB GLU 15 2HB GLU 15 2.513 -0.928 2.709 108 1HG GLU 15 1HG GLU 15 1.787 0.464 4.566 109 2HG GLU 15 2HG GLU 15 1.333 1.227 3.044 110 H LEU 16 H LEU 16 2.694 -0.572 0.318 111 HA LEU 16 HA LEU 16 2.164 2.135 -0.311 112 1HB LEU 16 1HB LEU 16 3.978 0.053 -1.578 113 2HB LEU 16 2HB LEU 16 3.991 1.752 -2.060 114 HG LEU 16 HG LEU 16 4.488 0.882 0.820 115 1HD1 LEU 16 1HD1 LEU 16 6.185 -0.136 -0.674 116 2HD1 LEU 16 2HD1 LEU 16 6.517 1.459 -1.380 117 3HD1 LEU 16 3HD1 LEU 16 6.885 1.144 0.330 118 1HD2 LEU 16 1HD2 LEU 16 5.074 3.465 -0.693 119 2HD2 LEU 16 2HD2 LEU 16 3.858 3.253 0.586 120 3HD2 LEU 16 3HD2 LEU 16 5.575 3.108 0.971 121 H HIS 17 H HIS 17 1.511 -0.880 -2.158 122 HA HIS 17 HA HIS 17 0.584 0.462 -4.510 123 1HB HIS 17 1HB HIS 17 1.394 -1.844 -4.525 124 2HB HIS 17 2HB HIS 17 0.051 -2.346 -3.485 125 HD1 HIS 17 HD1 HIS 17 0.117 -0.218 -6.705 126 HD2 HIS 17 HD2 HIS 17 -1.725 -3.640 -5.127 127 HE1 HIS 17 HE1 HIS 17 -1.554 -1.043 -8.429 128 H LYS 18 H LYS 18 -1.033 -0.664 -1.525 129 HA LYS 18 HA LYS 18 -3.711 -0.320 -2.403 130 1HB LYS 18 1HB LYS 18 -3.138 -1.660 -0.465 131 2HB LYS 18 2HB LYS 18 -2.454 -0.259 0.368 132 1HG LYS 18 1HG LYS 18 -4.600 -0.790 1.285 133 2HG LYS 18 2HG LYS 18 -4.697 0.784 0.489 134 1HD LYS 18 1HD LYS 18 -5.786 -0.261 -1.478 135 2HD LYS 18 2HD LYS 18 -5.636 -1.862 -0.729 136 1HE LYS 18 1HE LYS 18 -7.217 0.487 0.417 137 2HE LYS 18 2HE LYS 18 -7.909 -0.853 -0.514 138 1HZ LYS 18 1HZ LYS 18 -7.137 -2.352 1.170 139 2HZ LYS 18 2HZ LYS 18 -6.529 -1.103 2.059 140 3HZ LYS 18 3HZ LYS 18 -8.153 -1.217 1.802 141 H LEU 19 H LEU 19 -1.423 1.864 -0.684 142 HA LEU 19 HA LEU 19 -3.217 4.140 -0.691 143 1HB LEU 19 1HB LEU 19 -0.212 3.857 -0.283 144 2HB LEU 19 2HB LEU 19 -1.094 5.379 -0.088 145 HG LEU 19 HG LEU 19 -1.700 2.843 1.489 146 1HD1 LEU 19 1HD1 LEU 19 0.597 3.595 1.939 147 2HD1 LEU 19 2HD1 LEU 19 0.011 5.243 2.256 148 3HD1 LEU 19 3HD1 LEU 19 -0.448 3.908 3.335 149 1HD2 LEU 19 1HD2 LEU 19 -2.505 5.761 1.901 150 2HD2 LEU 19 2HD2 LEU 19 -3.594 4.421 1.477 151 3HD2 LEU 19 3HD2 LEU 19 -2.805 4.447 3.055 152 H GLN 20 H GLN 20 -0.020 4.140 -2.214 153 HA GLN 20 HA GLN 20 0.800 4.679 -4.182 154 1HB GLN 20 1HB GLN 20 -0.412 2.669 -4.761 155 2HB GLN 20 2HB GLN 20 -1.835 3.593 -5.257 156 1HG GLN 20 1HG GLN 20 -0.547 4.618 -7.081 157 2HG GLN 20 2HG GLN 20 0.944 3.870 -6.480 158 1HE2 GLN 20 2HE2 GLN 20 -2.383 2.998 -7.594 159 2HE2 GLN 20 1HE2 GLN 20 -1.912 1.496 -8.360 160 H THR 21 H THR 21 -2.571 5.555 -4.954 161 HA THR 21 HA THR 21 -1.728 8.294 -5.722 162 HB THR 21 HB THR 21 -2.902 7.241 -7.449 163 HG1 THR 21 HG1 THR 21 -4.697 8.898 -6.024 164 1HG2 THR 21 1HG2 THR 21 -5.089 6.441 -5.484 165 2HG2 THR 21 2HG2 THR 21 -5.201 6.346 -7.247 166 3HG2 THR 21 3HG2 THR 21 -4.011 5.363 -6.390 167 H TYR 22 H TYR 22 -3.983 6.519 -3.597 168 HA TYR 22 HA TYR 22 -5.399 7.187 -1.967 169 1HB TYR 22 1HB TYR 22 -4.239 7.953 0.005 170 2HB TYR 22 2HB TYR 22 -3.435 6.634 -0.821 171 HD1 TYR 22 HD1 TYR 22 -3.036 9.992 0.495 172 HD2 TYR 22 HD2 TYR 22 -1.323 7.029 -2.117 173 HE1 TYR 22 HE1 TYR 22 -0.885 11.211 0.518 174 HE2 TYR 22 HE2 TYR 22 0.832 8.243 -2.089 175 HH TYR 22 HH TYR 22 1.983 10.077 -1.310 176 HA PRO 23 HA PRO 23 -6.178 11.556 -3.367 177 1HB PRO 23 1HB PRO 23 -8.655 11.269 -4.455 178 2HB PRO 23 2HB PRO 23 -7.171 10.804 -5.336 179 1HG PRO 23 1HG PRO 23 -8.973 8.977 -3.712 180 2HG PRO 23 2HG PRO 23 -8.432 8.753 -5.402 181 1HD PRO 23 1HD PRO 23 -7.138 7.570 -3.338 182 2HD PRO 23 2HD PRO 23 -6.221 8.263 -4.710 183 H ARG 24 H ARG 24 -7.619 13.096 -2.409 184 HA ARG 24 HA ARG 24 -8.424 12.511 0.259 185 1HB ARG 24 1HB ARG 24 -7.664 14.720 -0.405 186 2HB ARG 24 2HB ARG 24 -8.975 14.878 -1.577 187 1HG ARG 24 1HG ARG 24 -9.426 16.186 0.424 188 2HG ARG 24 2HG ARG 24 -10.644 14.920 0.241 189 1HD ARG 24 1HD ARG 24 -9.525 13.558 1.961 190 2HD ARG 24 2HD ARG 24 -8.210 14.751 2.071 191 HE ARG 24 HE ARG 24 -10.661 16.082 2.533 192 1HH1 ARG 24 1HH2 ARG 24 -8.620 13.629 4.107 193 2HH1 ARG 24 2HH2 ARG 24 -9.165 14.045 5.715 194 1HH2 ARG 24 1HH1 ARG 24 -11.352 16.600 4.646 195 2HH2 ARG 24 2HH1 ARG 24 -10.713 15.729 6.021 196 H THR 25 H THR 25 -10.415 13.486 -2.589 197 HA THR 25 HA THR 25 -12.861 12.417 -1.450 198 HB THR 25 HB THR 25 -12.854 14.367 -2.943 199 HG1 THR 25 HG1 THR 25 -14.582 13.612 -4.213 200 1HG2 THR 25 1HG2 THR 25 -11.056 13.678 -4.549 201 2HG2 THR 25 2HG2 THR 25 -12.141 12.427 -5.195 202 3HG2 THR 25 3HG2 THR 25 -12.564 14.139 -5.354 203 H ASP 26 H ASP 26 -13.967 10.548 -2.110 204 HA ASP 26 HA ASP 26 -12.819 8.673 -4.017 205 1HB ASP 26 1HB ASP 26 -11.372 8.267 -2.046 206 2HB ASP 26 2HB ASP 26 -12.797 8.003 -1.038 207 H VAL 27 H VAL 27 -14.949 8.844 -1.117 208 HA VAL 27 HA VAL 27 -17.310 8.251 -2.722 209 HB VAL 27 HB VAL 27 -16.354 6.013 -2.268 210 1HG1 VAL 27 1HG1 VAL 27 -15.210 6.511 -0.099 211 2HG1 VAL 27 2HG1 VAL 27 -16.797 6.605 0.692 212 3HG1 VAL 27 3HG1 VAL 27 -16.252 5.082 -0.027 213 1HG2 VAL 27 1HG2 VAL 27 -18.809 6.336 -2.450 214 2HG2 VAL 27 2HG2 VAL 27 -18.361 4.971 -1.411 215 3HG2 VAL 27 3HG2 VAL 27 -18.908 6.490 -0.681 216 H GLY 28 H GLY 28 -19.218 8.883 -1.691 217 1HA GLY 28 1HA GLY 28 -19.570 9.534 1.014 218 2HA GLY 28 2HA GLY 28 -18.980 11.002 0.207 219 H ALA 29 H ALA 29 -20.086 11.461 -1.946 220 HA ALA 29 HA ALA 29 -21.832 12.054 -3.174 221 1HB ALA 29 1HB ALA 29 -22.261 9.663 -3.438 222 2HB ALA 29 2HB ALA 29 -23.329 9.663 -2.021 223 3HB ALA 29 3HB ALA 29 -23.758 10.613 -3.452 224 H GLY 30 H GLY 30 -23.644 10.908 -0.283 225 1HA GLY 30 1HA GLY 30 -25.137 13.426 -0.098 226 2HA GLY 30 2HA GLY 30 -25.308 11.974 0.898 227 H THR 31 H THR 31 -22.936 14.569 0.191 228 HA THR 31 HA THR 31 -22.559 15.159 3.004 229 HB THR 31 HB THR 31 -21.062 13.239 2.760 230 HG1 THR 31 HG1 THR 31 -20.371 14.940 4.050 231 1HG2 THR 31 1HG2 THR 31 -20.612 13.361 0.302 232 2HG2 THR 31 2HG2 THR 31 -19.589 14.788 0.582 233 3HG2 THR 31 3HG2 THR 31 -19.142 13.227 1.279 234 HA PRO 32 HA PRO 32 -21.956 19.044 0.857 235 1HB PRO 32 1HB PRO 32 -21.014 20.652 2.859 236 2HB PRO 32 2HB PRO 32 -22.700 20.070 2.774 237 1HG PRO 32 1HG PRO 32 -20.430 18.893 4.393 238 2HG PRO 32 2HG PRO 32 -22.083 19.285 4.942 239 1HD PRO 32 1HD PRO 32 -21.382 16.769 4.208 240 2HD PRO 32 2HD PRO 32 -22.998 17.418 3.809 241 H1 NAG 300 H1 NAG 3 7.783 -17.318 2.706 242 H2 NAG 300 H2 NAG 3 5.404 -17.537 4.606 243 H3 NAG 300 H3 NAG 3 6.128 -19.364 2.280 244 H4 NAG 300 H4 NAG 3 3.814 -17.432 2.662 245 H5 NAG 300 H5 NAG 3 6.254 -17.311 0.820 246 1H6 NAG 300 1H6 NAG 3 4.210 -16.391 -0.252 247 2H6 NAG 300 2H6 NAG 3 5.399 -15.130 0.126 248 1H8 NAG 300 1H8 NAG 3 8.000 -20.947 6.112 249 2H8 NAG 300 2H8 NAG 3 9.341 -21.227 4.981 250 3H8 NAG 300 3H8 NAG 3 9.359 -19.801 6.038 251 HN2 NAG 300 HN2 NAG 3 6.800 -18.854 5.807 252 HO4 NAG 300 HO4 NAG 3 4.634 -19.090 0.469 253 HO3 NAG 300 HO3 NAG 3 4.089 -20.295 2.875 254 HO6 NAG 300 HO6 NAG 3 3.270 -14.545 0.738 255 1HN NH2 33 1HN NH2 33 -19.228 17.850 2.931 256 2HN NH2 33 2HN NH2 33 -17.964 18.354 1.832 Start of MODEL 7 1 1H CYS 1 1H CYS 1 4.754 -17.453 6.410 2 2H CYS 1 2H CYS 1 3.367 -17.117 7.234 3 3H CYS 1 3H CYS 1 3.630 -16.440 5.753 4 HA CYS 1 HA CYS 1 5.457 -15.202 6.545 5 1HB CYS 1 1HB CYS 1 3.139 -14.290 6.639 6 2HB CYS 1 2HB CYS 1 2.997 -14.858 8.297 7 H SER 2 H SER 2 6.835 -17.025 7.345 8 HA SER 2 HA SER 2 7.127 -16.981 10.321 9 1HB SER 2 1HB SER 2 7.187 -19.430 8.506 10 2HB SER 2 2HB SER 2 7.541 -19.407 10.249 11 HG SER 2 HG SER 2 5.409 -18.616 10.564 12 H ASN 3 H ASN 3 8.548 -15.251 9.090 13 HA ASN 3 HA ASN 3 11.230 -15.895 9.602 14 1HB ASN 3 1HB ASN 3 12.157 -15.602 7.259 15 2HB ASN 3 2HB ASN 3 11.452 -17.168 7.617 16 1HD2 ASN 3 1HD2 ASN 3 9.738 -17.907 6.440 17 H LEU 4 H LEU 4 8.890 -13.862 7.897 18 HA LEU 4 HA LEU 4 8.584 -11.659 7.760 19 1HB LEU 4 1HB LEU 4 10.635 -11.295 9.979 20 2HB LEU 4 2HB LEU 4 9.374 -10.176 9.473 21 HG LEU 4 HG LEU 4 8.965 -12.888 10.810 22 1HD1 LEU 4 1HD1 LEU 4 9.790 -11.092 12.288 23 2HD1 LEU 4 2HD1 LEU 4 8.447 -10.046 11.774 24 3HD1 LEU 4 3HD1 LEU 4 8.119 -11.541 12.677 25 1HD2 LEU 4 1HD2 LEU 4 6.911 -10.854 9.829 26 2HD2 LEU 4 2HD2 LEU 4 7.105 -12.533 9.273 27 3HD2 LEU 4 3HD2 LEU 4 6.556 -12.211 10.920 28 H SER 5 H SER 5 9.652 -12.250 5.680 29 HA SER 5 HA SER 5 11.707 -10.239 5.069 30 1HB SER 5 1HB SER 5 13.069 -12.205 5.623 31 2HB SER 5 2HB SER 5 12.115 -13.217 4.524 32 HG SER 5 HG SER 5 13.639 -10.933 3.802 33 H THR 6 H THR 6 10.183 -13.134 3.548 34 HA THR 6 HA THR 6 9.419 -11.744 1.130 35 HB THR 6 HB THR 6 8.071 -13.800 0.731 36 HG1 THR 6 HG1 THR 6 7.533 -14.276 2.867 37 1HG2 THR 6 1HG2 THR 6 10.450 -13.774 0.081 38 2HG2 THR 6 2HG2 THR 6 10.908 -14.359 1.694 39 3HG2 THR 6 3HG2 THR 6 9.946 -15.388 0.617 40 H CYS 7 H CYS 7 7.874 -12.572 4.228 41 HA CYS 7 HA CYS 7 5.235 -11.695 3.633 42 1HB CYS 7 1HB CYS 7 5.870 -13.221 5.442 43 2HB CYS 7 2HB CYS 7 6.732 -11.922 6.270 44 H VAL 8 H VAL 8 8.073 -10.069 5.120 45 HA VAL 8 HA VAL 8 6.810 -7.576 5.685 46 HB VAL 8 HB VAL 8 9.707 -8.404 5.264 47 1HG1 VAL 8 1HG2 VAL 8 8.601 -5.712 6.173 48 2HG1 VAL 8 2HG2 VAL 8 10.285 -6.237 6.385 49 3HG1 VAL 8 3HG2 VAL 8 9.635 -6.026 4.758 50 1HG2 VAL 8 1HG1 VAL 8 8.497 -9.323 7.258 51 2HG2 VAL 8 2HG1 VAL 8 9.808 -8.220 7.707 52 3HG2 VAL 8 3HG1 VAL 8 8.122 -7.669 7.768 53 H LEU 9 H LEU 9 8.822 -8.660 2.896 54 HA LEU 9 HA LEU 9 8.726 -6.314 1.379 55 1HB LEU 9 1HB LEU 9 10.206 -8.221 1.047 56 2HB LEU 9 2HB LEU 9 8.879 -9.220 0.454 57 HG LEU 9 HG LEU 9 9.522 -6.570 -0.878 58 1HD1 LEU 9 1HD1 LEU 9 10.973 -9.204 -1.368 59 2HD1 LEU 9 2HD1 LEU 9 11.124 -7.740 -2.364 60 3HD1 LEU 9 3HD1 LEU 9 11.682 -7.724 -0.684 61 1HD2 LEU 9 1HD2 LEU 9 8.476 -9.244 -1.943 62 2HD2 LEU 9 2HD2 LEU 9 7.508 -7.775 -1.720 63 3HD2 LEU 9 3HD2 LEU 9 8.788 -7.803 -2.929 64 H GLY 10 H GLY 10 6.516 -9.148 1.355 65 1HA GLY 10 1HA GLY 10 4.741 -8.324 -0.666 66 2HA GLY 10 2HA GLY 10 4.370 -9.417 0.677 67 H LYS 11 H LYS 11 4.630 -7.781 2.897 68 HA LYS 11 HA LYS 11 2.117 -6.523 2.959 69 1HB LYS 11 1HB LYS 11 3.086 -7.458 4.948 70 2HB LYS 11 2HB LYS 11 4.493 -6.394 4.847 71 1HG LYS 11 1HG LYS 11 2.938 -5.663 6.583 72 2HG LYS 11 2HG LYS 11 3.122 -4.429 5.336 73 1HD LYS 11 1HD LYS 11 0.945 -5.137 4.328 74 2HD LYS 11 2HD LYS 11 0.788 -6.385 5.582 75 1HE LYS 11 1HE LYS 11 0.755 -4.625 7.319 76 2HE LYS 11 2HE LYS 11 1.002 -3.380 6.078 77 1HZ LYS 11 1HZ LYS 11 -1.076 -4.010 5.110 78 2HZ LYS 11 2HZ LYS 11 -1.314 -5.166 6.262 79 3HZ LYS 11 3HZ LYS 11 -1.280 -3.573 6.687 80 H LEU 12 H LEU 12 5.415 -4.980 3.029 81 HA LEU 12 HA LEU 12 4.337 -2.354 2.983 82 1HB LEU 12 1HB LEU 12 6.555 -1.546 2.717 83 2HB LEU 12 2HB LEU 12 6.497 -2.870 3.873 84 HG LEU 12 HG LEU 12 7.219 -4.326 1.747 85 1HD1 LEU 12 1HD1 LEU 12 7.213 -2.398 0.116 86 2HD1 LEU 12 2HD1 LEU 12 8.408 -1.577 1.130 87 3HD1 LEU 12 3HD1 LEU 12 8.818 -3.102 0.322 88 1HD2 LEU 12 1HD2 LEU 12 8.467 -4.097 3.864 89 2HD2 LEU 12 2HD2 LEU 12 9.556 -4.047 2.468 90 3HD2 LEU 12 3HD2 LEU 12 9.126 -2.544 3.314 91 H SER 13 H SER 13 5.282 -4.547 0.319 92 HA SER 13 HA SER 13 5.121 -2.645 -1.785 93 1HB SER 13 1HB SER 13 6.147 -4.844 -2.063 94 2HB SER 13 2HB SER 13 4.583 -5.646 -1.797 95 HG SER 13 HG SER 13 5.086 -5.384 -4.010 96 H GLN 14 H GLN 14 2.670 -4.941 -0.494 97 HA GLN 14 HA GLN 14 0.483 -4.169 -2.079 98 1HB GLN 14 1HB GLN 14 0.535 -6.205 -0.816 99 2HB GLN 14 2HB GLN 14 0.662 -5.357 0.724 100 1HG GLN 14 1HG GLN 14 -1.722 -5.062 -1.154 101 2HG GLN 14 2HG GLN 14 -1.620 -6.324 0.078 102 1HE2 GLN 14 2HE2 GLN 14 -3.232 -3.608 -0.377 103 2HE2 GLN 14 1HE2 GLN 14 -3.245 -2.937 1.239 104 H GLU 15 H GLU 15 1.520 -2.970 1.141 105 HA GLU 15 HA GLU 15 -0.664 -1.269 1.625 106 1HB GLU 15 1HB GLU 15 0.842 -2.059 3.349 107 2HB GLU 15 2HB GLU 15 2.210 -1.192 2.629 108 1HG GLU 15 1HG GLU 15 1.169 0.964 3.118 109 2HG GLU 15 2HG GLU 15 -0.306 0.161 3.687 110 H LEU 16 H LEU 16 2.644 -0.394 0.480 111 HA LEU 16 HA LEU 16 2.123 2.340 0.052 112 1HB LEU 16 1HB LEU 16 4.137 0.454 -1.222 113 2HB LEU 16 2HB LEU 16 4.179 2.207 -1.429 114 HG LEU 16 HG LEU 16 4.327 0.877 1.316 115 1HD1 LEU 16 1HD1 LEU 16 6.234 0.158 -0.096 116 2HD1 LEU 16 2HD1 LEU 16 6.591 1.856 -0.475 117 3HD1 LEU 16 3HD1 LEU 16 6.753 1.259 1.191 118 1HD2 LEU 16 1HD2 LEU 16 4.992 3.692 0.344 119 2HD2 LEU 16 2HD2 LEU 16 3.642 3.240 1.408 120 3HD2 LEU 16 3HD2 LEU 16 5.305 3.063 1.974 121 H HIS 17 H HIS 17 1.815 -0.451 -2.193 122 HA HIS 17 HA HIS 17 1.161 1.053 -4.514 123 1HB HIS 17 1HB HIS 17 1.776 -1.287 -4.647 124 2HB HIS 17 2HB HIS 17 0.382 -1.760 -3.665 125 HD1 HIS 17 HD1 HIS 17 -1.956 -1.798 -4.782 126 HD2 HIS 17 HD2 HIS 17 1.117 -0.547 -7.344 127 HE1 HIS 17 HE1 HIS 17 -2.911 -1.734 -7.137 128 H LYS 18 H LYS 18 -0.937 -0.455 -2.000 129 HA LYS 18 HA LYS 18 -3.376 0.132 -3.202 130 1HB LYS 18 1HB LYS 18 -3.166 -1.507 -1.451 131 2HB LYS 18 2HB LYS 18 -2.647 -0.286 -0.282 132 1HG LYS 18 1HG LYS 18 -4.939 -0.931 0.115 133 2HG LYS 18 2HG LYS 18 -4.876 0.771 -0.348 134 1HD LYS 18 1HD LYS 18 -5.573 0.170 -2.663 135 2HD LYS 18 2HD LYS 18 -5.614 -1.544 -2.207 136 1HE LYS 18 1HE LYS 18 -7.322 0.674 -0.982 137 2HE LYS 18 2HE LYS 18 -7.856 -0.458 -2.235 138 1HZ LYS 18 1HZ LYS 18 -7.463 -2.246 -0.707 139 2HZ LYS 18 2HZ LYS 18 -7.004 -1.189 0.473 140 3HZ LYS 18 3HZ LYS 18 -8.550 -1.167 -0.096 141 H LEU 19 H LEU 19 -1.756 1.977 -0.531 142 HA LEU 19 HA LEU 19 -3.741 3.984 -0.431 143 1HB LEU 19 1HB LEU 19 -2.247 5.206 1.012 144 2HB LEU 19 2HB LEU 19 -2.285 3.489 1.392 145 HG LEU 19 HG LEU 19 -0.089 3.429 -0.128 146 1HD1 LEU 19 1HD1 LEU 19 -0.128 5.868 -0.747 147 2HD1 LEU 19 2HD1 LEU 19 -0.063 6.279 0.973 148 3HD1 LEU 19 3HD1 LEU 19 1.297 5.441 0.203 149 1HD2 LEU 19 1HD2 LEU 19 -0.244 2.784 2.251 150 2HD2 LEU 19 2HD2 LEU 19 1.227 3.722 1.948 151 3HD2 LEU 19 3HD2 LEU 19 -0.171 4.492 2.727 152 H GLN 20 H GLN 20 -0.878 3.700 -2.510 153 HA GLN 20 HA GLN 20 -0.967 6.380 -3.529 154 1HB GLN 20 1HB GLN 20 0.991 4.944 -3.646 155 2HB GLN 20 2HB GLN 20 0.177 3.828 -4.746 156 1HG GLN 20 1HG GLN 20 0.583 6.792 -5.361 157 2HG GLN 20 2HG GLN 20 1.801 5.569 -5.729 158 1HE2 GLN 20 2HE2 GLN 20 1.006 3.612 -7.029 159 2HE2 GLN 20 1HE2 GLN 20 -0.065 3.970 -8.367 160 H THR 21 H THR 21 -2.283 3.239 -4.726 161 HA THR 21 HA THR 21 -3.888 4.563 -6.797 162 HB THR 21 HB THR 21 -4.559 2.293 -7.386 163 HG1 THR 21 HG1 THR 21 -2.988 1.504 -5.160 164 1HG2 THR 21 1HG2 THR 21 -2.391 3.189 -8.237 165 2HG2 THR 21 2HG2 THR 21 -1.558 2.369 -6.894 166 3HG2 THR 21 3HG2 THR 21 -2.434 1.420 -8.106 167 H TYR 22 H TYR 22 -4.553 5.570 -4.265 168 HA TYR 22 HA TYR 22 -7.405 4.959 -4.203 169 1HB TYR 22 1HB TYR 22 -6.509 3.241 -2.722 170 2HB TYR 22 2HB TYR 22 -5.623 4.455 -1.803 171 HD1 TYR 22 HD1 TYR 22 -8.960 5.682 -2.602 172 HD2 TYR 22 HD2 TYR 22 -6.775 3.007 -0.006 173 HE1 TYR 22 HE1 TYR 22 -10.794 5.762 -0.972 174 HE2 TYR 22 HE2 TYR 22 -8.660 3.040 1.596 175 HH TYR 22 HH TYR 22 -11.582 5.050 1.072 176 HA PRO 23 HA PRO 23 -6.183 9.432 -3.793 177 1HB PRO 23 1HB PRO 23 -8.936 9.490 -5.057 178 2HB PRO 23 2HB PRO 23 -7.544 10.570 -5.356 179 1HG PRO 23 1HG PRO 23 -8.086 8.573 -7.095 180 2HG PRO 23 2HG PRO 23 -6.395 8.833 -6.562 181 1HD PRO 23 1HD PRO 23 -8.384 6.801 -5.508 182 2HD PRO 23 2HD PRO 23 -6.679 6.566 -5.997 183 H ARG 24 H ARG 24 -6.486 10.256 -1.805 184 HA ARG 24 HA ARG 24 -7.209 10.607 0.268 185 1HB ARG 24 1HB ARG 24 -9.083 11.737 -0.946 186 2HB ARG 24 2HB ARG 24 -10.086 10.307 -0.705 187 1HG ARG 24 1HG ARG 24 -8.741 11.861 1.561 188 2HG ARG 24 2HG ARG 24 -10.353 12.226 0.936 189 1HD ARG 24 1HD ARG 24 -11.130 9.959 1.519 190 2HD ARG 24 2HD ARG 24 -9.559 9.590 2.244 191 HE ARG 24 HE ARG 24 -11.679 11.267 3.323 192 1HH1 ARG 24 1HH2 ARG 24 -8.212 10.446 3.551 193 2HH1 ARG 24 2HH2 ARG 24 -8.080 11.033 5.191 194 1HH2 ARG 24 1HH1 ARG 24 -11.455 12.008 5.459 195 2HH2 ARG 24 2HH1 ARG 24 -9.910 11.914 6.271 196 H THR 25 H THR 25 -6.169 8.748 0.976 197 HA THR 25 HA THR 25 -7.494 6.171 1.059 198 HB THR 25 HB THR 25 -4.955 7.214 2.374 199 HG1 THR 25 HG1 THR 25 -4.015 6.105 0.633 200 1HG2 THR 25 1HG2 THR 25 -5.987 4.358 2.039 201 2HG2 THR 25 2HG2 THR 25 -4.362 4.809 2.591 202 3HG2 THR 25 3HG2 THR 25 -5.772 5.218 3.579 203 H ASP 26 H ASP 26 -8.804 5.418 2.635 204 HA ASP 26 HA ASP 26 -8.746 6.410 5.366 205 1HB ASP 26 1HB ASP 26 -11.049 7.233 5.398 206 2HB ASP 26 2HB ASP 26 -10.096 8.166 4.253 207 H VAL 27 H VAL 27 -10.817 5.374 6.509 208 HA VAL 27 HA VAL 27 -11.662 2.830 5.390 209 HB VAL 27 HB VAL 27 -9.454 2.241 6.299 210 1HG1 VAL 27 1HG1 VAL 27 -9.233 3.961 8.068 211 2HG1 VAL 27 2HG1 VAL 27 -10.503 3.156 9.013 212 3HG1 VAL 27 3HG1 VAL 27 -8.970 2.328 8.696 213 1HG2 VAL 27 1HG2 VAL 27 -11.321 0.603 6.377 214 2HG2 VAL 27 2HG2 VAL 27 -10.115 0.355 7.652 215 3HG2 VAL 27 3HG2 VAL 27 -11.671 1.104 8.047 216 H GLY 28 H GLY 28 -13.514 2.046 6.392 217 1HA GLY 28 1HA GLY 28 -15.060 3.959 7.990 218 2HA GLY 28 2HA GLY 28 -15.590 2.413 7.315 219 H ALA 29 H ALA 29 -13.401 3.775 9.789 220 HA ALA 29 HA ALA 29 -12.750 3.140 11.840 221 1HB ALA 29 1HB ALA 29 -15.130 3.370 12.362 222 2HB ALA 29 2HB ALA 29 -15.414 1.664 11.965 223 3HB ALA 29 3HB ALA 29 -14.370 2.095 13.332 224 H GLY 30 H GLY 30 -11.023 1.999 10.734 225 1HA GLY 30 1HA GLY 30 -11.125 -0.894 10.380 226 2HA GLY 30 2HA GLY 30 -9.728 0.181 10.217 227 H THR 31 H THR 31 -11.934 -1.166 12.682 228 HA THR 31 HA THR 31 -9.698 -1.406 14.661 229 HB THR 31 HB THR 31 -11.382 -0.770 16.377 230 HG1 THR 31 HG1 THR 31 -13.225 0.347 15.614 231 1HG2 THR 31 1HG2 THR 31 -9.724 0.870 15.509 232 2HG2 THR 31 2HG2 THR 31 -10.897 1.387 14.276 233 3HG2 THR 31 3HG2 THR 31 -11.251 1.629 15.995 234 HA PRO 32 HA PRO 32 -11.992 -5.418 14.060 235 1HB PRO 32 1HB PRO 32 -9.940 -7.059 13.391 236 2HB PRO 32 2HB PRO 32 -10.674 -5.930 12.222 237 1HG PRO 32 1HG PRO 32 -8.162 -5.468 13.861 238 2HG PRO 32 2HG PRO 32 -8.367 -5.288 12.095 239 1HD PRO 32 1HD PRO 32 -8.573 -3.170 13.796 240 2HD PRO 32 2HD PRO 32 -9.618 -3.311 12.350 241 H1 NAG 300 H1 NAG 3 8.494 -16.178 4.379 242 H2 NAG 300 H2 NAG 3 10.213 -18.653 3.853 243 H3 NAG 300 H3 NAG 3 8.650 -16.949 1.871 244 H4 NAG 300 H4 NAG 3 8.192 -19.798 2.829 245 H5 NAG 300 H5 NAG 3 6.618 -17.228 3.344 246 1H6 NAG 300 1H6 NAG 3 5.113 -19.177 3.126 247 2H6 NAG 300 2H6 NAG 3 5.214 -18.632 4.810 248 1H8 NAG 300 1H8 NAG 3 14.197 -16.437 2.899 249 2H8 NAG 300 2H8 NAG 3 13.013 -15.479 1.989 250 3H8 NAG 300 3H8 NAG 3 13.119 -15.321 3.759 251 HN2 NAG 300 HN2 NAG 3 10.678 -15.763 3.329 252 HO4 NAG 300 HO4 NAG 3 6.323 -19.578 1.506 253 HO3 NAG 300 HO3 NAG 3 10.612 -17.923 1.090 254 HO6 NAG 300 HO6 NAG 3 6.748 -20.301 5.164 255 1HN NH2 33 1HN NH2 33 -11.339 -5.864 17.566 256 2HN NH2 33 2HN NH2 33 -12.332 -5.014 16.398 Start of MODEL 8 1 1H CYS 1 1H CYS 1 4.400 -17.504 7.818 2 2H CYS 1 2H CYS 1 3.357 -16.500 8.607 3 3H CYS 1 3H CYS 1 3.387 -16.529 6.958 4 HA CYS 1 HA CYS 1 5.583 -15.685 6.906 5 1HB CYS 1 1HB CYS 1 3.641 -14.174 6.819 6 2HB CYS 1 2HB CYS 1 3.680 -14.004 8.572 7 H SER 2 H SER 2 6.491 -17.486 8.341 8 HA SER 2 HA SER 2 7.145 -16.749 11.097 9 1HB SER 2 1HB SER 2 6.653 -19.079 10.485 10 2HB SER 2 2HB SER 2 8.013 -19.085 9.343 11 HG SER 2 HG SER 2 8.175 -18.628 12.141 12 H ASN 3 H ASN 3 8.816 -17.141 7.950 13 HA ASN 3 HA ASN 3 11.428 -16.527 8.811 14 1HB ASN 3 1HB ASN 3 11.923 -16.186 6.450 15 2HB ASN 3 2HB ASN 3 10.963 -17.644 6.708 16 1HD2 ASN 3 1HD2 ASN 3 8.741 -17.673 6.054 17 H LEU 4 H LEU 4 8.747 -14.395 7.869 18 HA LEU 4 HA LEU 4 8.458 -12.177 7.908 19 1HB LEU 4 1HB LEU 4 10.634 -12.331 10.032 20 2HB LEU 4 2HB LEU 4 9.671 -10.892 9.720 21 HG LEU 4 HG LEU 4 8.277 -13.508 10.337 22 1HD1 LEU 4 1HD1 LEU 4 9.413 -11.550 12.372 23 2HD1 LEU 4 2HD1 LEU 4 8.304 -12.893 12.727 24 3HD1 LEU 4 3HD1 LEU 4 9.936 -13.230 12.123 25 1HD2 LEU 4 1HD2 LEU 4 6.975 -11.492 9.546 26 2HD2 LEU 4 2HD2 LEU 4 6.537 -12.017 11.181 27 3HD2 LEU 4 3HD2 LEU 4 7.579 -10.598 10.948 28 H SER 5 H SER 5 9.515 -12.594 5.652 29 HA SER 5 HA SER 5 11.475 -10.443 5.223 30 1HB SER 5 1HB SER 5 12.923 -12.374 5.662 31 2HB SER 5 2HB SER 5 12.076 -13.331 4.435 32 HG SER 5 HG SER 5 13.469 -10.898 3.996 33 H THR 6 H THR 6 10.241 -13.253 3.304 34 HA THR 6 HA THR 6 9.799 -11.660 0.974 35 HB THR 6 HB THR 6 8.604 -13.635 0.120 36 HG1 THR 6 HG1 THR 6 8.980 -14.650 2.733 37 1HG2 THR 6 1HG2 THR 6 11.095 -13.670 0.102 38 2HG2 THR 6 2HG2 THR 6 11.080 -14.467 1.695 39 3HG2 THR 6 3HG2 THR 6 10.386 -15.290 0.287 40 H CYS 7 H CYS 7 7.583 -13.024 3.406 41 HA CYS 7 HA CYS 7 5.172 -11.854 2.527 42 1HB CYS 7 1HB CYS 7 4.425 -12.294 4.881 43 2HB CYS 7 2HB CYS 7 5.078 -13.672 4.001 44 H VAL 8 H VAL 8 7.699 -10.553 4.723 45 HA VAL 8 HA VAL 8 6.198 -8.266 5.570 46 HB VAL 8 HB VAL 8 9.178 -8.874 5.511 47 1HG1 VAL 8 1HG1 VAL 8 7.713 -6.506 6.759 48 2HG1 VAL 8 2HG1 VAL 8 9.386 -6.974 7.128 49 3HG1 VAL 8 3HG1 VAL 8 8.966 -6.436 5.499 50 1HG2 VAL 8 1HG2 VAL 8 7.729 -10.257 7.015 51 2HG2 VAL 8 2HG2 VAL 8 8.852 -9.223 7.918 52 3HG2 VAL 8 3HG2 VAL 8 7.139 -8.774 7.784 53 H LEU 9 H LEU 9 8.762 -8.642 3.055 54 HA LEU 9 HA LEU 9 8.619 -6.009 2.031 55 1HB LEU 9 1HB LEU 9 9.377 -8.658 0.751 56 2HB LEU 9 2HB LEU 9 9.603 -7.102 -0.053 57 HG LEU 9 HG LEU 9 10.849 -7.724 2.662 58 1HD1 LEU 9 1HD1 LEU 9 11.652 -9.359 0.991 59 2HD1 LEU 9 2HD1 LEU 9 12.066 -8.031 -0.115 60 3HD1 LEU 9 3HD1 LEU 9 12.926 -8.208 1.430 61 1HD2 LEU 9 1HD2 LEU 9 11.456 -5.619 0.538 62 2HD2 LEU 9 2HD2 LEU 9 10.731 -5.318 2.133 63 3HD2 LEU 9 3HD2 LEU 9 12.396 -5.895 2.018 64 H GLY 10 H GLY 10 6.758 -8.944 1.182 65 1HA GLY 10 1HA GLY 10 5.328 -7.936 -1.038 66 2HA GLY 10 2HA GLY 10 4.819 -9.241 0.047 67 H LYS 11 H LYS 11 4.515 -7.972 2.476 68 HA LYS 11 HA LYS 11 1.961 -6.798 2.260 69 1HB LYS 11 1HB LYS 11 2.653 -8.007 4.238 70 2HB LYS 11 2HB LYS 11 3.975 -6.873 4.538 71 1HG LYS 11 1HG LYS 11 2.138 -6.469 6.064 72 2HG LYS 11 2HG LYS 11 2.385 -5.069 5.020 73 1HD LYS 11 1HD LYS 11 0.433 -5.776 3.624 74 2HD LYS 11 2HD LYS 11 0.261 -7.230 4.624 75 1HE LYS 11 1HE LYS 11 -1.370 -5.574 5.315 76 2HE LYS 11 2HE LYS 11 -0.176 -5.772 6.610 77 1HZ LYS 11 1HZ LYS 11 -0.212 -3.618 4.612 78 2HZ LYS 11 2HZ LYS 11 -0.689 -3.484 6.184 79 3HZ LYS 11 3HZ LYS 11 0.891 -3.779 5.827 80 H LEU 12 H LEU 12 5.165 -5.296 2.959 81 HA LEU 12 HA LEU 12 4.246 -2.626 3.215 82 1HB LEU 12 1HB LEU 12 6.924 -3.774 2.351 83 2HB LEU 12 2HB LEU 12 6.666 -2.064 2.714 84 HG LEU 12 HG LEU 12 6.121 -4.285 4.730 85 1HD1 LEU 12 1HD2 LEU 12 8.498 -4.309 4.068 86 2HD1 LEU 12 2HD2 LEU 12 8.613 -2.566 4.393 87 3HD1 LEU 12 3HD2 LEU 12 8.300 -3.704 5.722 88 1HD2 LEU 12 1HD1 LEU 12 6.474 -1.269 5.033 89 2HD2 LEU 12 2HD1 LEU 12 4.965 -2.178 5.269 90 3HD2 LEU 12 3HD1 LEU 12 6.322 -2.425 6.371 91 H SER 13 H SER 13 5.489 -4.411 0.371 92 HA SER 13 HA SER 13 5.418 -2.296 -1.491 93 1HB SER 13 1HB SER 13 6.572 -4.419 -1.888 94 2HB SER 13 2HB SER 13 5.021 -5.282 -1.944 95 HG SER 13 HG SER 13 4.471 -3.962 -3.734 96 H GLN 14 H GLN 14 2.881 -4.715 -0.634 97 HA GLN 14 HA GLN 14 0.967 -3.715 -2.495 98 1HB GLN 14 1HB GLN 14 0.927 -6.000 -1.572 99 2HB GLN 14 2HB GLN 14 0.581 -5.357 0.041 100 1HG GLN 14 1HG GLN 14 -1.457 -6.195 -1.057 101 2HG GLN 14 2HG GLN 14 -1.579 -4.466 -0.746 102 1HE2 GLN 14 2HE2 GLN 14 -0.988 -6.931 -3.271 103 2HE2 GLN 14 1HE2 GLN 14 -1.430 -5.917 -4.628 104 H GLU 15 H GLU 15 1.719 -2.921 0.902 105 HA GLU 15 HA GLU 15 -0.615 -1.435 1.496 106 1HB GLU 15 1HB GLU 15 0.857 -2.306 3.199 107 2HB GLU 15 2HB GLU 15 2.197 -1.290 2.645 108 1HG GLU 15 1HG GLU 15 0.993 0.737 3.284 109 2HG GLU 15 2HG GLU 15 -0.452 -0.210 3.685 110 H LEU 16 H LEU 16 2.687 -0.240 0.566 111 HA LEU 16 HA LEU 16 1.851 2.455 0.336 112 1HB LEU 16 1HB LEU 16 3.994 2.920 -0.618 113 2HB LEU 16 2HB LEU 16 4.121 1.807 0.738 114 HG LEU 16 HG LEU 16 4.117 -0.044 -1.188 115 1HD1 LEU 16 1HD1 LEU 16 3.836 1.568 -3.101 116 2HD1 LEU 16 2HD1 LEU 16 5.322 2.386 -2.595 117 3HD1 LEU 16 3HD1 LEU 16 5.376 0.710 -3.171 118 1HD2 LEU 16 1HD2 LEU 16 6.522 1.689 -0.498 119 2HD2 LEU 16 2HD2 LEU 16 5.913 0.322 0.458 120 3HD2 LEU 16 3HD2 LEU 16 6.583 0.040 -1.156 121 H HIS 17 H HIS 17 1.749 -0.217 -1.988 122 HA HIS 17 HA HIS 17 1.240 1.326 -4.332 123 1HB HIS 17 1HB HIS 17 1.978 -0.970 -4.419 124 2HB HIS 17 2HB HIS 17 0.540 -1.527 -3.560 125 HD1 HIS 17 HD1 HIS 17 -0.449 0.939 -6.097 126 HD2 HIS 17 HD2 HIS 17 0.409 -3.162 -6.006 127 HE1 HIS 17 HE1 HIS 17 -1.418 -0.093 -8.214 128 H LYS 18 H LYS 18 -1.050 -0.460 -2.144 129 HA LYS 18 HA LYS 18 -3.304 0.357 -3.592 130 1HB LYS 18 1HB LYS 18 -4.651 -0.603 -1.938 131 2HB LYS 18 2HB LYS 18 -3.213 -1.619 -2.129 132 1HG LYS 18 1HG LYS 18 -2.267 -0.596 -0.069 133 2HG LYS 18 2HG LYS 18 -3.754 0.325 0.165 134 1HD LYS 18 1HD LYS 18 -3.503 -2.714 0.086 135 2HD LYS 18 2HD LYS 18 -3.663 -1.724 1.541 136 1HE LYS 18 1HE LYS 18 -5.772 -2.070 -0.638 137 2HE LYS 18 2HE LYS 18 -5.801 -2.733 0.997 138 1HZ LYS 18 1HZ LYS 18 -5.842 -0.498 1.846 139 2HZ LYS 18 2HZ LYS 18 -5.869 0.116 0.315 140 3HZ LYS 18 3HZ LYS 18 -7.129 -0.791 0.862 141 H LEU 19 H LEU 19 -1.896 1.867 -0.621 142 HA LEU 19 HA LEU 19 -4.043 3.725 -0.351 143 1HB LEU 19 1HB LEU 19 -2.755 4.819 1.310 144 2HB LEU 19 2HB LEU 19 -2.627 3.073 1.468 145 HG LEU 19 HG LEU 19 -0.366 3.413 0.100 146 1HD1 LEU 19 1HD1 LEU 19 -0.699 6.114 1.497 147 2HD1 LEU 19 2HD1 LEU 19 0.788 5.502 0.748 148 3HD1 LEU 19 3HD1 LEU 19 -0.607 5.893 -0.257 149 1HD2 LEU 19 1HD2 LEU 19 -0.581 2.511 2.410 150 2HD2 LEU 19 2HD2 LEU 19 0.811 3.597 2.271 151 3HD2 LEU 19 3HD2 LEU 19 -0.684 4.164 3.041 152 H GLN 20 H GLN 20 -1.075 3.795 -2.293 153 HA GLN 20 HA GLN 20 -1.164 6.603 -2.900 154 1HB GLN 20 1HB GLN 20 0.879 5.310 -3.047 155 2HB GLN 20 2HB GLN 20 0.181 4.254 -4.287 156 1HG GLN 20 1HG GLN 20 0.006 6.201 -5.832 157 2HG GLN 20 2HG GLN 20 0.660 7.252 -4.563 158 1HE2 GLN 20 2HE2 GLN 20 1.417 4.191 -6.339 159 2HE2 GLN 20 1HE2 GLN 20 3.139 4.485 -6.456 160 H THR 21 H THR 21 -1.947 3.698 -4.902 161 HA THR 21 HA THR 21 -3.079 5.260 -7.014 162 HB THR 21 HB THR 21 -3.720 3.044 -7.941 163 HG1 THR 21 HG1 THR 21 -3.012 1.215 -6.771 164 1HG2 THR 21 1HG2 THR 21 -1.451 4.032 -8.286 165 2HG2 THR 21 2HG2 THR 21 -0.864 3.145 -6.863 166 3HG2 THR 21 3HG2 THR 21 -1.442 2.263 -8.290 167 H TYR 22 H TYR 22 -4.482 3.825 -4.120 168 HA TYR 22 HA TYR 22 -7.148 4.915 -4.900 169 1HB TYR 22 1HB TYR 22 -6.657 2.358 -3.355 170 2HB TYR 22 2HB TYR 22 -8.203 3.112 -3.700 171 HD1 TYR 22 HD1 TYR 22 -9.147 3.069 -6.002 172 HD2 TYR 22 HD2 TYR 22 -5.404 1.154 -5.062 173 HE1 TYR 22 HE1 TYR 22 -9.269 1.787 -8.120 174 HE2 TYR 22 HE2 TYR 22 -5.506 -0.098 -7.200 175 HH TYR 22 HH TYR 22 -6.717 -0.531 -9.104 176 HA PRO 23 HA PRO 23 -5.731 6.845 -0.940 177 1HB PRO 23 1HB PRO 23 -6.963 9.249 -1.171 178 2HB PRO 23 2HB PRO 23 -5.510 8.826 -2.114 179 1HG PRO 23 1HG PRO 23 -8.390 8.666 -3.032 180 2HG PRO 23 2HG PRO 23 -7.012 9.434 -3.871 181 1HD PRO 23 1HD PRO 23 -7.872 6.908 -4.430 182 2HD PRO 23 2HD PRO 23 -6.134 7.331 -4.521 183 H ARG 24 H ARG 24 -6.975 5.022 -0.143 184 HA ARG 24 HA ARG 24 -9.425 5.647 1.286 185 1HB ARG 24 1HB ARG 24 -10.274 5.265 -1.026 186 2HB ARG 24 2HB ARG 24 -9.409 3.720 -1.079 187 1HG ARG 24 1HG ARG 24 -10.829 2.881 0.791 188 2HG ARG 24 2HG ARG 24 -11.635 4.455 0.879 189 1HD ARG 24 1HD ARG 24 -13.012 2.862 -0.334 190 2HD ARG 24 2HD ARG 24 -12.499 4.145 -1.426 191 HE ARG 24 HE ARG 24 -11.590 1.307 -1.329 192 1HH1 ARG 24 1HH2 ARG 24 -11.337 4.435 -3.042 193 2HH1 ARG 24 2HH2 ARG 24 -10.609 3.705 -4.451 194 1HH2 ARG 24 1HH1 ARG 24 -10.638 0.425 -3.172 195 2HH2 ARG 24 2HH1 ARG 24 -10.210 1.444 -4.527 196 H THR 25 H THR 25 -9.287 4.456 3.122 197 HA THR 25 HA THR 25 -7.180 2.600 3.610 198 HB THR 25 HB THR 25 -9.740 3.154 5.175 199 HG1 THR 25 HG1 THR 25 -7.132 4.249 5.347 200 1HG2 THR 25 1HG2 THR 25 -7.088 1.902 6.030 201 2HG2 THR 25 2HG2 THR 25 -8.406 2.373 7.124 202 3HG2 THR 25 3HG2 THR 25 -8.659 1.072 5.949 203 H ASP 26 H ASP 26 -10.720 2.178 3.177 204 HA ASP 26 HA ASP 26 -10.693 -0.680 3.390 205 1HB ASP 26 1HB ASP 26 -12.772 1.241 2.269 206 2HB ASP 26 2HB ASP 26 -13.035 -0.473 2.627 207 H VAL 27 H VAL 27 -9.306 -1.600 1.966 208 HA VAL 27 HA VAL 27 -8.474 -2.523 0.170 209 HB VAL 27 HB VAL 27 -9.882 -3.504 -1.410 210 1HG1 VAL 27 1HG1 VAL 27 -10.068 -4.283 0.942 211 2HG1 VAL 27 2HG1 VAL 27 -11.495 -3.249 1.158 212 3HG1 VAL 27 3HG1 VAL 27 -11.536 -4.575 -0.013 213 1HG2 VAL 27 1HG2 VAL 27 -11.237 -1.463 -2.091 214 2HG2 VAL 27 2HG2 VAL 27 -12.117 -2.988 -1.936 215 3HG2 VAL 27 3HG2 VAL 27 -12.260 -1.776 -0.667 216 H GLY 28 H GLY 28 -8.238 -2.497 -2.336 217 1HA GLY 28 1HA GLY 28 -8.394 -0.196 -3.890 218 2HA GLY 28 2HA GLY 28 -6.889 -0.049 -2.955 219 H ALA 29 H ALA 29 -5.141 -0.908 -3.967 220 HA ALA 29 HA ALA 29 -5.312 -2.769 -6.174 221 1HB ALA 29 1HB ALA 29 -3.507 -1.113 -6.005 222 2HB ALA 29 2HB ALA 29 -2.929 -1.868 -4.507 223 3HB ALA 29 3HB ALA 29 -2.871 -2.771 -6.032 224 H GLY 30 H GLY 30 -4.670 -2.973 -2.667 225 1HA GLY 30 1HA GLY 30 -4.184 -5.865 -2.664 226 2HA GLY 30 2HA GLY 30 -4.319 -4.772 -1.278 227 H THR 31 H THR 31 -6.290 -6.102 -3.957 228 HA THR 31 HA THR 31 -8.808 -5.713 -2.632 229 HB THR 31 HB THR 31 -8.120 -7.371 -5.079 230 HG1 THR 31 HG1 THR 31 -8.857 -4.654 -4.766 231 1HG2 THR 31 1HG2 THR 31 -10.740 -6.122 -4.121 232 2HG2 THR 31 2HG2 THR 31 -10.485 -6.934 -5.680 233 3HG2 THR 31 3HG2 THR 31 -10.378 -7.862 -4.175 234 HA PRO 32 HA PRO 32 -8.420 -9.489 -0.113 235 1HB PRO 32 1HB PRO 32 -11.435 -9.202 -0.188 236 2HB PRO 32 2HB PRO 32 -10.393 -9.635 1.201 237 1HG PRO 32 1HG PRO 32 -11.297 -7.100 0.951 238 2HG PRO 32 2HG PRO 32 -9.575 -7.379 1.352 239 1HD PRO 32 1HD PRO 32 -10.770 -6.716 -1.351 240 2HD PRO 32 2HD PRO 32 -9.313 -6.057 -0.543 241 H1 NAG 300 H1 NAG 3 8.020 -15.612 4.025 242 H2 NAG 300 H2 NAG 3 8.428 -18.621 3.662 243 H3 NAG 300 H3 NAG 3 7.400 -16.700 1.548 244 H4 NAG 300 H4 NAG 3 5.853 -18.793 3.119 245 H5 NAG 300 H5 NAG 3 5.865 -15.743 3.217 246 1H6 NAG 300 1H6 NAG 3 3.539 -16.599 3.416 247 2H6 NAG 300 2H6 NAG 3 4.135 -15.917 4.937 248 1H8 NAG 300 1H8 NAG 3 11.978 -17.201 1.341 249 2H8 NAG 300 2H8 NAG 3 12.296 -16.290 2.838 250 3H8 NAG 300 3H8 NAG 3 12.938 -17.934 2.643 251 HN2 NAG 300 HN2 NAG 3 9.706 -16.435 2.089 252 HO4 NAG 300 HO4 NAG 3 4.115 -17.881 1.914 253 HO3 NAG 300 HO3 NAG 3 7.010 -18.720 0.493 254 HO6 NAG 300 HO6 NAG 3 4.612 -18.072 5.599 255 1HN NH2 33 1HN NH2 33 -8.587 -11.729 -0.488 256 2HN NH2 33 2HN NH2 33 -9.346 -12.415 -1.908 Start of MODEL 9 1 1H CYS 1 1H CYS 1 2.870 -16.185 6.948 2 2H CYS 1 2H CYS 1 2.382 -15.252 8.218 3 3H CYS 1 3H CYS 1 2.461 -14.608 6.701 4 HA CYS 1 HA CYS 1 4.810 -14.864 6.631 5 1HB CYS 1 1HB CYS 1 3.688 -13.334 8.992 6 2HB CYS 1 2HB CYS 1 5.380 -13.253 8.497 7 H SER 2 H SER 2 5.323 -17.096 6.941 8 HA SER 2 HA SER 2 6.027 -18.107 9.581 9 1HB SER 2 1HB SER 2 5.569 -19.628 7.707 10 2HB SER 2 2HB SER 2 6.906 -18.927 6.774 11 HG SER 2 HG SER 2 7.116 -20.224 9.292 12 H ASN 3 H ASN 3 7.763 -16.757 6.763 13 HA ASN 3 HA ASN 3 10.218 -16.206 8.251 14 1HB ASN 3 1HB ASN 3 11.062 -15.425 6.140 15 2HB ASN 3 2HB ASN 3 10.195 -16.934 5.857 16 1HD2 ASN 3 1HD2 ASN 3 7.985 -16.789 4.998 17 H LEU 4 H LEU 4 11.133 -13.892 7.725 18 HA LEU 4 HA LEU 4 9.145 -11.728 8.009 19 1HB LEU 4 1HB LEU 4 10.382 -10.745 9.870 20 2HB LEU 4 2HB LEU 4 9.564 -12.236 10.306 21 HG LEU 4 HG LEU 4 12.467 -12.452 9.493 22 1HD1 LEU 4 1HD1 LEU 4 11.525 -11.388 12.186 23 2HD1 LEU 4 2HD1 LEU 4 13.184 -11.881 11.783 24 3HD1 LEU 4 3HD1 LEU 4 12.456 -10.487 10.968 25 1HD2 LEU 4 1HD2 LEU 4 10.796 -13.778 11.679 26 2HD2 LEU 4 2HD2 LEU 4 11.202 -14.510 10.116 27 3HD2 LEU 4 3HD2 LEU 4 12.482 -14.156 11.279 28 H SER 5 H SER 5 10.238 -12.188 5.681 29 HA SER 5 HA SER 5 12.105 -9.946 5.301 30 1HB SER 5 1HB SER 5 13.665 -11.370 3.959 31 2HB SER 5 2HB SER 5 13.673 -11.725 5.694 32 HG SER 5 HG SER 5 12.482 -13.223 3.620 33 H THR 6 H THR 6 10.853 -12.770 3.450 34 HA THR 6 HA THR 6 10.059 -11.170 1.169 35 HB THR 6 HB THR 6 9.384 -14.005 2.021 36 HG1 THR 6 HG1 THR 6 10.991 -14.497 0.500 37 1HG2 THR 6 1HG2 THR 6 9.045 -12.617 -0.677 38 2HG2 THR 6 2HG2 THR 6 8.813 -14.351 -0.374 39 3HG2 THR 6 3HG2 THR 6 7.724 -13.172 0.374 40 H CYS 7 H CYS 7 8.523 -12.451 4.113 41 HA CYS 7 HA CYS 7 5.850 -11.616 3.827 42 1HB CYS 7 1HB CYS 7 6.542 -12.915 5.731 43 2HB CYS 7 2HB CYS 7 7.793 -11.746 6.142 44 H VAL 8 H VAL 8 8.674 -9.811 5.168 45 HA VAL 8 HA VAL 8 7.272 -7.436 5.724 46 HB VAL 8 HB VAL 8 10.239 -7.929 5.246 47 1HG1 VAL 8 1HG2 VAL 8 8.818 -5.520 6.461 48 2HG1 VAL 8 2HG2 VAL 8 10.563 -5.831 6.561 49 3HG1 VAL 8 3HG2 VAL 8 9.816 -5.533 4.989 50 1HG2 VAL 8 1HG1 VAL 8 9.234 -9.211 7.141 51 2HG2 VAL 8 2HG1 VAL 8 10.349 -7.960 7.706 52 3HG2 VAL 8 3HG1 VAL 8 8.596 -7.697 7.809 53 H LEU 9 H LEU 9 9.366 -8.228 2.895 54 HA LEU 9 HA LEU 9 8.974 -5.828 1.453 55 1HB LEU 9 1HB LEU 9 9.486 -8.684 0.552 56 2HB LEU 9 2HB LEU 9 9.541 -7.301 -0.545 57 HG LEU 9 HG LEU 9 11.305 -7.486 1.939 58 1HD1 LEU 9 1HD1 LEU 9 11.940 -8.289 -0.930 59 2HD1 LEU 9 2HD1 LEU 9 13.099 -8.217 0.415 60 3HD1 LEU 9 3HD1 LEU 9 11.776 -9.394 0.451 61 1HD2 LEU 9 1HD2 LEU 9 11.458 -5.778 -0.585 62 2HD2 LEU 9 2HD2 LEU 9 11.068 -5.198 1.049 63 3HD2 LEU 9 3HD2 LEU 9 12.680 -5.831 0.701 64 H GLY 10 H GLY 10 7.016 -8.816 1.569 65 1HA GLY 10 1HA GLY 10 5.157 -8.220 -0.471 66 2HA GLY 10 2HA GLY 10 4.893 -9.272 0.930 67 H LYS 11 H LYS 11 5.076 -7.520 3.067 68 HA LYS 11 HA LYS 11 2.490 -6.314 3.073 69 1HB LYS 11 1HB LYS 11 4.846 -6.204 4.986 70 2HB LYS 11 2HB LYS 11 3.309 -5.412 5.322 71 1HG LYS 11 1HG LYS 11 3.497 -8.375 4.663 72 2HG LYS 11 2HG LYS 11 3.707 -7.785 6.307 73 1HD LYS 11 1HD LYS 11 1.208 -6.976 4.793 74 2HD LYS 11 2HD LYS 11 1.368 -8.626 5.395 75 1HE LYS 11 1HE LYS 11 0.172 -7.298 7.012 76 2HE LYS 11 2HE LYS 11 1.722 -7.820 7.688 77 1HZ LYS 11 1HZ LYS 11 1.163 -5.171 6.552 78 2HZ LYS 11 2HZ LYS 11 1.213 -5.535 8.160 79 3HZ LYS 11 3HZ LYS 11 2.580 -5.651 7.249 80 H LEU 12 H LEU 12 5.793 -4.938 2.770 81 HA LEU 12 HA LEU 12 4.985 -2.191 2.817 82 1HB LEU 12 1HB LEU 12 7.391 -3.610 1.619 83 2HB LEU 12 2HB LEU 12 7.231 -1.852 1.679 84 HG LEU 12 HG LEU 12 7.138 -3.600 4.170 85 1HD1 LEU 12 1HD1 LEU 12 9.309 -3.882 3.032 86 2HD1 LEU 12 2HD1 LEU 12 9.503 -2.118 2.947 87 3HD1 LEU 12 3HD1 LEU 12 9.492 -2.940 4.522 88 1HD2 LEU 12 1HD2 LEU 12 7.578 -0.607 3.768 89 2HD2 LEU 12 2HD2 LEU 12 6.153 -1.367 4.510 90 3HD2 LEU 12 3HD2 LEU 12 7.721 -1.467 5.314 91 H SER 13 H SER 13 5.487 -4.524 0.149 92 HA SER 13 HA SER 13 4.945 -2.736 -1.994 93 1HB SER 13 1HB SER 13 6.055 -4.907 -2.279 94 2HB SER 13 2HB SER 13 4.564 -5.755 -1.816 95 HG SER 13 HG SER 13 4.816 -5.571 -4.079 96 H GLN 14 H GLN 14 2.815 -4.923 -0.109 97 HA GLN 14 HA GLN 14 0.400 -4.473 -1.500 98 1HB GLN 14 1HB GLN 14 0.783 -6.311 0.073 99 2HB GLN 14 2HB GLN 14 0.900 -5.170 1.424 100 1HG GLN 14 1HG GLN 14 -1.454 -4.470 1.032 101 2HG GLN 14 2HG GLN 14 -1.562 -5.609 -0.321 102 1HE2 GLN 14 2HE2 GLN 14 -1.067 -7.966 0.241 103 2HE2 GLN 14 1HE2 GLN 14 -1.618 -8.548 1.797 104 H GLU 15 H GLU 15 1.774 -2.851 1.405 105 HA GLU 15 HA GLU 15 -0.313 -1.004 1.849 106 1HB GLU 15 1HB GLU 15 1.376 -1.530 3.506 107 2HB GLU 15 2HB GLU 15 2.662 -0.866 2.483 108 1HG GLU 15 1HG GLU 15 1.713 1.385 2.669 109 2HG GLU 15 2HG GLU 15 0.307 0.751 3.542 110 H LEU 16 H LEU 16 2.704 -0.713 -0.098 111 HA LEU 16 HA LEU 16 2.425 1.993 -0.764 112 1HB LEU 16 1HB LEU 16 4.510 0.747 -0.980 113 2HB LEU 16 2HB LEU 16 3.793 -0.318 -2.195 114 HG LEU 16 HG LEU 16 3.582 1.577 -3.764 115 1HD1 LEU 16 1HD1 LEU 16 4.965 3.167 -1.550 116 2HD1 LEU 16 2HD1 LEU 16 4.807 3.709 -3.233 117 3HD1 LEU 16 3HD1 LEU 16 3.359 3.482 -2.247 118 1HD2 LEU 16 1HD2 LEU 16 5.598 0.156 -3.767 119 2HD2 LEU 16 2HD2 LEU 16 5.984 1.824 -4.230 120 3HD2 LEU 16 3HD2 LEU 16 6.375 1.245 -2.596 121 H HIS 17 H HIS 17 1.360 -0.961 -2.521 122 HA HIS 17 HA HIS 17 0.198 0.377 -4.755 123 1HB HIS 17 1HB HIS 17 0.832 -1.980 -4.782 124 2HB HIS 17 2HB HIS 17 -0.332 -2.348 -3.503 125 HD1 HIS 17 HD1 HIS 17 -2.812 -2.598 -4.145 126 HD2 HIS 17 HD2 HIS 17 -0.365 -1.463 -7.354 127 HE1 HIS 17 HE1 HIS 17 -4.198 -2.805 -6.266 128 H LYS 18 H LYS 18 -1.182 -0.777 -1.655 129 HA LYS 18 HA LYS 18 -3.895 -0.292 -2.234 130 1HB LYS 18 1HB LYS 18 -3.153 -1.757 -0.461 131 2HB LYS 18 2HB LYS 18 -2.375 -0.409 0.393 132 1HG LYS 18 1HG LYS 18 -4.542 0.616 0.857 133 2HG LYS 18 2HG LYS 18 -5.360 -0.547 -0.196 134 1HD LYS 18 1HD LYS 18 -5.654 -1.088 2.194 135 2HD LYS 18 2HD LYS 18 -4.856 -2.385 1.296 136 1HE LYS 18 1HE LYS 18 -3.857 -2.015 3.531 137 2HE LYS 18 2HE LYS 18 -2.682 -1.780 2.235 138 1HZ LYS 18 1HZ LYS 18 -4.124 0.349 3.656 139 2HZ LYS 18 2HZ LYS 18 -2.547 -0.077 3.889 140 3HZ LYS 18 3HZ LYS 18 -3.020 0.579 2.453 141 H LEU 19 H LEU 19 -1.597 1.720 -0.298 142 HA LEU 19 HA LEU 19 -3.467 3.922 -0.063 143 1HB LEU 19 1HB LEU 19 -0.479 3.794 0.480 144 2HB LEU 19 2HB LEU 19 -1.591 5.082 0.974 145 HG LEU 19 HG LEU 19 -1.650 2.184 1.922 146 1HD1 LEU 19 1HD1 LEU 19 0.260 3.514 2.772 147 2HD1 LEU 19 2HD1 LEU 19 -0.870 4.750 3.364 148 3HD1 LEU 19 3HD1 LEU 19 -0.892 3.116 4.060 149 1HD2 LEU 19 1HD2 LEU 19 -3.372 4.575 2.718 150 2HD2 LEU 19 2HD2 LEU 19 -3.933 3.061 1.967 151 3HD2 LEU 19 3HD2 LEU 19 -3.294 3.044 3.613 152 H GLN 20 H GLN 20 -0.236 3.790 -1.601 153 HA GLN 20 HA GLN 20 0.628 4.597 -3.465 154 1HB GLN 20 1HB GLN 20 -1.251 3.432 -4.517 155 2HB GLN 20 2HB GLN 20 -2.206 4.915 -4.538 156 1HG GLN 20 1HG GLN 20 0.508 4.558 -5.881 157 2HG GLN 20 2HG GLN 20 -1.046 4.339 -6.688 158 1HE2 GLN 20 2HE2 GLN 20 1.380 6.475 -6.572 159 2HE2 GLN 20 1HE2 GLN 20 0.507 7.979 -6.770 160 H THR 21 H THR 21 -2.252 6.726 -2.999 161 HA THR 21 HA THR 21 -0.863 9.052 -3.834 162 HB THR 21 HB THR 21 -3.281 8.769 -3.992 163 HG1 THR 21 HG1 THR 21 -2.452 10.963 -2.407 164 1HG2 THR 21 1HG2 THR 21 -3.730 7.708 -1.750 165 2HG2 THR 21 2HG2 THR 21 -3.426 9.286 -0.988 166 3HG2 THR 21 3HG2 THR 21 -4.771 9.092 -2.119 167 H TYR 22 H TYR 22 -1.516 7.735 -0.550 168 HA TYR 22 HA TYR 22 -0.471 9.997 0.827 169 1HB TYR 22 1HB TYR 22 -2.031 8.547 1.886 170 2HB TYR 22 2HB TYR 22 -0.965 7.165 1.766 171 HD1 TYR 22 HD1 TYR 22 -1.350 10.542 3.319 172 HD2 TYR 22 HD2 TYR 22 0.745 6.773 3.443 173 HE1 TYR 22 HE1 TYR 22 -0.317 11.182 5.478 174 HE2 TYR 22 HE2 TYR 22 1.775 7.417 5.596 175 HH TYR 22 HH TYR 22 1.104 10.563 7.178 176 HA PRO 23 HA PRO 23 3.716 7.730 1.259 177 1HB PRO 23 1HB PRO 23 4.304 5.468 -0.156 178 2HB PRO 23 2HB PRO 23 3.437 5.422 1.407 179 1HG PRO 23 1HG PRO 23 2.201 5.433 -1.368 180 2HG PRO 23 2HG PRO 23 1.909 4.255 -0.050 181 1HD PRO 23 1HD PRO 23 0.239 6.314 -0.393 182 2HD PRO 23 2HD PRO 23 0.774 5.871 1.253 183 H ARG 24 H ARG 24 5.654 7.902 -0.076 184 HA ARG 24 HA ARG 24 5.232 9.481 -2.505 185 1HB ARG 24 1HB ARG 24 7.763 8.627 -1.044 186 2HB ARG 24 2HB ARG 24 7.674 9.705 -2.452 187 1HG ARG 24 1HG ARG 24 6.230 11.269 -1.143 188 2HG ARG 24 2HG ARG 24 6.379 10.203 0.264 189 1HD ARG 24 1HD ARG 24 7.925 12.018 0.510 190 2HD ARG 24 2HD ARG 24 8.849 10.541 0.252 191 HE ARG 24 HE ARG 24 8.428 12.831 -1.615 192 1HH1 ARG 24 1HH2 ARG 24 10.102 9.712 -1.081 193 2HH1 ARG 24 2HH2 ARG 24 11.204 9.985 -2.410 194 1HH2 ARG 24 1HH1 ARG 24 9.898 13.120 -3.307 195 2HH2 ARG 24 2HH1 ARG 24 11.091 11.888 -3.659 196 H THR 25 H THR 25 4.279 7.931 -3.898 197 HA THR 25 HA THR 25 5.726 5.515 -4.680 198 HB THR 25 HB THR 25 3.318 6.883 -5.943 199 HG1 THR 25 HG1 THR 25 2.866 6.302 -3.838 200 1HG2 THR 25 1HG2 THR 25 4.373 4.018 -6.130 201 2HG2 THR 25 2HG2 THR 25 2.864 4.616 -6.848 202 3HG2 THR 25 3HG2 THR 25 4.420 5.214 -7.442 203 H ASP 26 H ASP 26 7.760 6.551 -5.144 204 HA ASP 26 HA ASP 26 7.960 8.645 -7.113 205 1HB ASP 26 1HB ASP 26 10.113 6.890 -5.871 206 2HB ASP 26 2HB ASP 26 10.372 8.408 -6.743 207 H VAL 27 H VAL 27 8.329 8.503 -9.258 208 HA VAL 27 HA VAL 27 8.189 6.038 -10.702 209 HB VAL 27 HB VAL 27 9.099 8.818 -11.568 210 1HG1 VAL 27 1HG1 VAL 27 8.274 6.387 -13.217 211 2HG1 VAL 27 2HG1 VAL 27 8.551 8.019 -13.858 212 3HG1 VAL 27 3HG1 VAL 27 9.896 7.111 -13.158 213 1HG2 VAL 27 1HG2 VAL 27 6.393 7.425 -11.776 214 2HG2 VAL 27 2HG2 VAL 27 6.772 8.820 -10.743 215 3HG2 VAL 27 3HG2 VAL 27 6.807 8.991 -12.501 216 H GLY 28 H GLY 28 10.894 8.353 -10.117 217 1HA GLY 28 1HA GLY 28 12.946 6.364 -10.837 218 2HA GLY 28 2HA GLY 28 13.182 8.040 -10.322 219 H ALA 29 H ALA 29 14.890 6.563 -9.117 220 HA ALA 29 HA ALA 29 13.951 5.225 -6.703 221 1HB ALA 29 1HB ALA 29 16.737 5.974 -7.673 222 2HB ALA 29 2HB ALA 29 16.361 4.955 -6.265 223 3HB ALA 29 3HB ALA 29 15.912 4.417 -7.896 224 H GLY 30 H GLY 30 12.911 6.670 -5.341 225 1HA GLY 30 1HA GLY 30 12.944 8.066 -3.503 226 2HA GLY 30 2HA GLY 30 14.583 8.604 -3.893 227 H THR 31 H THR 31 14.456 9.638 -6.372 228 HA THR 31 HA THR 31 12.836 12.036 -6.131 229 HB THR 31 HB THR 31 14.693 11.042 -8.330 230 HG1 THR 31 HG1 THR 31 15.701 11.424 -6.331 231 1HG2 THR 31 1HG2 THR 31 13.529 13.819 -7.822 232 2HG2 THR 31 2HG2 THR 31 14.759 13.412 -9.033 233 3HG2 THR 31 3HG2 THR 31 13.121 12.759 -9.192 234 HA PRO 32 HA PRO 32 9.592 9.973 -8.567 235 1HB PRO 32 1HB PRO 32 7.696 11.907 -8.628 236 2HB PRO 32 2HB PRO 32 8.173 11.114 -7.107 237 1HG PRO 32 1HG PRO 32 9.202 13.760 -8.171 238 2HG PRO 32 2HG PRO 32 8.527 13.419 -6.551 239 1HD PRO 32 1HD PRO 32 11.215 13.408 -7.051 240 2HD PRO 32 2HD PRO 32 10.475 12.270 -5.886 241 H1 NAG 300 H1 NAG 3 7.632 -14.440 3.173 242 H2 NAG 300 H2 NAG 3 6.979 -17.408 2.822 243 H3 NAG 300 H3 NAG 3 6.668 -15.095 0.872 244 H4 NAG 300 H4 NAG 3 4.566 -16.745 2.323 245 H5 NAG 300 H5 NAG 3 5.403 -13.823 2.665 246 1H6 NAG 300 1H6 NAG 3 2.975 -14.119 2.993 247 2H6 NAG 300 2H6 NAG 3 3.806 -13.788 4.521 248 1H8 NAG 300 1H8 NAG 3 11.387 -16.443 1.774 249 2H8 NAG 300 2H8 NAG 3 11.545 -18.205 1.938 250 3H8 NAG 300 3H8 NAG 3 10.771 -17.515 0.495 251 HN2 NAG 300 HN2 NAG 3 8.886 -15.928 1.106 252 HO4 NAG 300 HO4 NAG 3 3.165 -15.244 1.283 253 HO3 NAG 300 HO3 NAG 3 5.624 -16.765 -0.357 254 HO6 NAG 300 HO6 NAG 3 2.300 -15.517 4.678 255 1HN NH2 33 1HN NH2 33 11.073 11.091 -11.697 256 2HN NH2 33 2HN NH2 33 11.412 10.097 -10.295 Start of MODEL 10 1 1H CYS 1 1H CYS 1 3.938 -17.027 6.781 2 2H CYS 1 2H CYS 1 2.952 -16.579 8.025 3 3H CYS 1 3H CYS 1 2.751 -15.910 6.531 4 HA CYS 1 HA CYS 1 4.859 -14.872 6.631 5 1HB CYS 1 1HB CYS 1 2.764 -13.755 7.433 6 2HB CYS 1 2HB CYS 1 3.166 -14.254 9.072 7 H SER 2 H SER 2 5.894 -17.184 7.226 8 HA SER 2 HA SER 2 6.823 -17.455 9.969 9 1HB SER 2 1HB SER 2 7.530 -18.975 7.423 10 2HB SER 2 2HB SER 2 7.966 -19.442 9.080 11 HG SER 2 HG SER 2 5.338 -19.141 8.052 12 H ASN 3 H ASN 3 8.235 -16.583 6.795 13 HA ASN 3 HA ASN 3 10.942 -16.581 7.553 14 1HB ASN 3 1HB ASN 3 9.540 -14.957 5.395 15 2HB ASN 3 2HB ASN 3 11.280 -15.273 5.485 16 1HD2 ASN 3 1HD2 ASN 3 10.016 -15.863 3.214 17 H LEU 4 H LEU 4 8.549 -13.924 7.536 18 HA LEU 4 HA LEU 4 8.596 -11.774 8.171 19 1HB LEU 4 1HB LEU 4 10.906 -12.455 10.036 20 2HB LEU 4 2HB LEU 4 9.818 -11.071 10.125 21 HG LEU 4 HG LEU 4 9.037 -13.991 10.553 22 1HD1 LEU 4 1HD1 LEU 4 10.407 -13.034 12.366 23 2HD1 LEU 4 2HD1 LEU 4 9.283 -11.663 12.500 24 3HD1 LEU 4 3HD1 LEU 4 8.736 -13.308 12.891 25 1HD2 LEU 4 1HD2 LEU 4 7.376 -11.437 10.759 26 2HD2 LEU 4 2HD2 LEU 4 7.140 -12.771 9.607 27 3HD2 LEU 4 3HD2 LEU 4 6.864 -13.040 11.331 28 H SER 5 H SER 5 9.651 -12.274 5.815 29 HA SER 5 HA SER 5 11.631 -10.165 5.424 30 1HB SER 5 1HB SER 5 13.112 -12.057 5.948 31 2HB SER 5 2HB SER 5 12.292 -13.073 4.750 32 HG SER 5 HG SER 5 13.666 -10.643 4.231 33 H THR 6 H THR 6 10.380 -13.086 3.699 34 HA THR 6 HA THR 6 9.670 -11.682 1.293 35 HB THR 6 HB THR 6 8.388 -13.711 0.771 36 HG1 THR 6 HG1 THR 6 9.025 -14.437 3.431 37 1HG2 THR 6 1HG2 THR 6 10.850 -13.728 0.411 38 2HG2 THR 6 2HG2 THR 6 11.077 -14.429 2.028 39 3HG2 THR 6 3HG2 THR 6 10.204 -15.335 0.779 40 H CYS 7 H CYS 7 7.952 -12.611 4.278 41 HA CYS 7 HA CYS 7 5.365 -11.663 3.645 42 1HB CYS 7 1HB CYS 7 5.884 -13.167 5.500 43 2HB CYS 7 2HB CYS 7 6.819 -11.902 6.304 44 H VAL 8 H VAL 8 8.168 -10.053 5.231 45 HA VAL 8 HA VAL 8 6.854 -7.610 5.834 46 HB VAL 8 HB VAL 8 9.792 -8.311 5.465 47 1HG1 VAL 8 1HG2 VAL 8 8.521 -5.775 6.584 48 2HG1 VAL 8 2HG2 VAL 8 10.226 -6.229 6.788 49 3HG1 VAL 8 3HG2 VAL 8 9.597 -5.898 5.172 50 1HG2 VAL 8 1HG1 VAL 8 8.598 -9.478 7.328 51 2HG2 VAL 8 2HG1 VAL 8 9.806 -8.331 7.924 52 3HG2 VAL 8 3HG1 VAL 8 8.083 -7.905 7.962 53 H LEU 9 H LEU 9 9.009 -8.493 3.085 54 HA LEU 9 HA LEU 9 8.854 -6.038 1.692 55 1HB LEU 9 1HB LEU 9 9.307 -8.894 0.770 56 2HB LEU 9 2HB LEU 9 9.469 -7.505 -0.308 57 HG LEU 9 HG LEU 9 11.074 -7.740 2.274 58 1HD1 LEU 9 1HD1 LEU 9 11.565 -9.684 0.827 59 2HD1 LEU 9 2HD1 LEU 9 11.861 -8.593 -0.544 60 3HD1 LEU 9 3HD1 LEU 9 12.931 -8.557 0.875 61 1HD2 LEU 9 1HD2 LEU 9 11.449 -6.076 -0.256 62 2HD2 LEU 9 2HD2 LEU 9 10.969 -5.457 1.338 63 3HD2 LEU 9 3HD2 LEU 9 12.578 -6.148 1.111 64 H GLY 10 H GLY 10 6.818 -8.988 1.433 65 1HA GLY 10 1HA GLY 10 5.141 -8.148 -0.679 66 2HA GLY 10 2HA GLY 10 4.742 -9.326 0.582 67 H LYS 11 H LYS 11 4.838 -7.748 2.877 68 HA LYS 11 HA LYS 11 2.245 -6.637 2.923 69 1HB LYS 11 1HB LYS 11 3.298 -7.641 4.860 70 2HB LYS 11 2HB LYS 11 4.569 -6.405 4.862 71 1HG LYS 11 1HG LYS 11 2.920 -4.663 5.404 72 2HG LYS 11 2HG LYS 11 1.600 -5.824 5.222 73 1HD LYS 11 1HD LYS 11 2.133 -5.398 7.587 74 2HD LYS 11 2HD LYS 11 2.348 -7.096 7.148 75 1HE LYS 11 1HE LYS 11 4.140 -6.242 8.638 76 2HE LYS 11 2HE LYS 11 4.777 -6.844 7.106 77 1HZ LYS 11 1HZ LYS 11 4.288 -4.024 7.771 78 2HZ LYS 11 2HZ LYS 11 5.758 -4.771 7.745 79 3HZ LYS 11 3HZ LYS 11 4.907 -4.582 6.347 80 H LEU 12 H LEU 12 5.458 -4.950 3.151 81 HA LEU 12 HA LEU 12 4.254 -2.368 3.148 82 1HB LEU 12 1HB LEU 12 6.452 -1.459 3.041 83 2HB LEU 12 2HB LEU 12 6.372 -2.814 4.160 84 HG LEU 12 HG LEU 12 7.287 -4.188 2.054 85 1HD1 LEU 12 1HD1 LEU 12 7.308 -2.231 0.466 86 2HD1 LEU 12 2HD1 LEU 12 8.398 -1.381 1.571 87 3HD1 LEU 12 3HD1 LEU 12 8.926 -2.871 0.765 88 1HD2 LEU 12 1HD2 LEU 12 8.390 -3.964 4.253 89 2HD2 LEU 12 2HD2 LEU 12 9.562 -3.832 2.932 90 3HD2 LEU 12 3HD2 LEU 12 9.014 -2.371 3.782 91 H SER 13 H SER 13 5.427 -4.443 0.489 92 HA SER 13 HA SER 13 5.307 -2.490 -1.579 93 1HB SER 13 1HB SER 13 6.439 -4.628 -1.864 94 2HB SER 13 2HB SER 13 4.907 -5.510 -1.670 95 HG SER 13 HG SER 13 5.487 -3.604 -3.691 96 H GLN 14 H GLN 14 2.887 -4.907 -0.447 97 HA GLN 14 HA GLN 14 0.766 -4.144 -2.123 98 1HB GLN 14 1HB GLN 14 0.775 -6.233 -0.895 99 2HB GLN 14 2HB GLN 14 0.792 -5.387 0.656 100 1HG GLN 14 1HG GLN 14 -1.441 -6.291 0.083 101 2HG GLN 14 2HG GLN 14 -1.453 -4.545 0.327 102 1HE2 GLN 14 2HE2 GLN 14 -0.866 -6.869 -2.400 103 2HE2 GLN 14 1HE2 GLN 14 -1.862 -6.014 -3.558 104 H GLU 15 H GLU 15 1.696 -2.923 1.138 105 HA GLU 15 HA GLU 15 -0.539 -1.259 1.533 106 1HB GLU 15 1HB GLU 15 1.013 -1.888 3.320 107 2HB GLU 15 2HB GLU 15 2.322 -0.987 2.543 108 1HG GLU 15 1HG GLU 15 1.365 0.280 4.406 109 2HG GLU 15 2HG GLU 15 1.132 1.133 2.884 110 H LEU 16 H LEU 16 2.687 -0.494 0.109 111 HA LEU 16 HA LEU 16 2.200 2.232 -0.415 112 1HB LEU 16 1HB LEU 16 3.995 0.173 -1.737 113 2HB LEU 16 2HB LEU 16 4.016 1.873 -2.209 114 HG LEU 16 HG LEU 16 4.464 1.029 0.681 115 1HD1 LEU 16 1HD1 LEU 16 6.146 -0.102 -0.741 116 2HD1 LEU 16 2HD1 LEU 16 6.550 1.451 -1.502 117 3HD1 LEU 16 3HD1 LEU 16 6.881 1.188 0.224 118 1HD2 LEU 16 1HD2 LEU 16 5.206 3.536 -0.892 119 2HD2 LEU 16 2HD2 LEU 16 3.929 3.422 0.335 120 3HD2 LEU 16 3HD2 LEU 16 5.620 3.214 0.803 121 H HIS 17 H HIS 17 1.506 -0.674 -2.408 122 HA HIS 17 HA HIS 17 0.565 0.746 -4.709 123 1HB HIS 17 1HB HIS 17 -0.183 -2.030 -3.711 124 2HB HIS 17 2HB HIS 17 -0.449 -1.391 -5.334 125 HD1 HIS 17 HD1 HIS 17 2.653 -0.035 -5.116 126 HD2 HIS 17 HD2 HIS 17 1.441 -4.045 -4.967 127 HE1 HIS 17 HE1 HIS 17 4.657 -1.458 -5.762 128 H LYS 18 H LYS 18 -1.053 -0.510 -1.779 129 HA LYS 18 HA LYS 18 -3.716 -0.141 -2.574 130 1HB LYS 18 1HB LYS 18 -2.900 -1.535 -0.716 131 2HB LYS 18 2HB LYS 18 -2.542 -0.083 0.237 132 1HG LYS 18 1HG LYS 18 -4.970 0.549 0.072 133 2HG LYS 18 2HG LYS 18 -5.278 -0.979 -0.765 134 1HD LYS 18 1HD LYS 18 -4.251 -0.568 2.080 135 2HD LYS 18 2HD LYS 18 -5.841 -1.172 1.600 136 1HE LYS 18 1HE LYS 18 -3.162 -2.600 1.282 137 2HE LYS 18 2HE LYS 18 -4.487 -3.020 2.369 138 1HZ LYS 18 1HZ LYS 18 -5.846 -3.467 0.458 139 2HZ LYS 18 2HZ LYS 18 -4.599 -3.102 -0.559 140 3HZ LYS 18 3HZ LYS 18 -4.484 -4.398 0.451 141 H LEU 19 H LEU 19 -1.652 2.010 -0.514 142 HA LEU 19 HA LEU 19 -3.608 4.096 -0.407 143 1HB LEU 19 1HB LEU 19 -1.909 5.424 0.665 144 2HB LEU 19 2HB LEU 19 -1.954 3.782 1.294 145 HG LEU 19 HG LEU 19 0.035 3.343 -0.381 146 1HD1 LEU 19 1HD1 LEU 19 0.241 6.363 0.000 147 2HD1 LEU 19 2HD1 LEU 19 1.530 5.310 -0.614 148 3HD1 LEU 19 3HD1 LEU 19 0.059 5.528 -1.555 149 1HD2 LEU 19 1HD2 LEU 19 0.169 3.231 2.075 150 2HD2 LEU 19 2HD2 LEU 19 1.616 3.993 1.399 151 3HD2 LEU 19 3HD2 LEU 19 0.358 4.995 2.154 152 H GLN 20 H GLN 20 -1.441 3.181 -2.945 153 HA GLN 20 HA GLN 20 -1.456 5.826 -4.223 154 1HB GLN 20 1HB GLN 20 0.540 4.417 -4.238 155 2HB GLN 20 2HB GLN 20 -0.327 3.149 -5.120 156 1HG GLN 20 1HG GLN 20 -0.551 4.577 -7.070 157 2HG GLN 20 2HG GLN 20 -0.010 5.991 -6.148 158 1HE2 GLN 20 2HE2 GLN 20 1.128 2.636 -6.913 159 2HE2 GLN 20 1HE2 GLN 20 2.787 3.094 -7.233 160 H THR 21 H THR 21 -3.456 2.954 -4.169 161 HA THR 21 HA THR 21 -4.464 2.962 -6.793 162 HB THR 21 HB THR 21 -5.892 2.185 -4.213 163 HG1 THR 21 HG1 THR 21 -5.041 0.144 -4.708 164 1HG2 THR 21 1HG2 THR 21 -6.339 1.328 -7.103 165 2HG2 THR 21 2HG2 THR 21 -7.121 0.611 -5.679 166 3HG2 THR 21 3HG2 THR 21 -7.455 2.294 -6.111 167 H TYR 22 H TYR 22 -5.771 4.578 -3.837 168 HA TYR 22 HA TYR 22 -8.050 5.534 -5.227 169 1HB TYR 22 1HB TYR 22 -7.264 6.748 -2.597 170 2HB TYR 22 2HB TYR 22 -8.833 6.380 -3.265 171 HD1 TYR 22 HD1 TYR 22 -9.333 3.809 -3.719 172 HD2 TYR 22 HD2 TYR 22 -6.255 5.243 -1.059 173 HE1 TYR 22 HE1 TYR 22 -9.206 1.575 -2.656 174 HE2 TYR 22 HE2 TYR 22 -6.162 3.022 0.028 175 HH TYR 22 HH TYR 22 -8.206 0.278 -1.043 176 HA PRO 23 HA PRO 23 -5.701 9.825 -5.424 177 1HB PRO 23 1HB PRO 23 -2.906 8.704 -5.447 178 2HB PRO 23 2HB PRO 23 -3.478 10.287 -4.842 179 1HG PRO 23 1HG PRO 23 -2.886 8.326 -3.098 180 2HG PRO 23 2HG PRO 23 -4.391 9.271 -2.873 181 1HD PRO 23 1HD PRO 23 -4.081 6.587 -4.243 182 2HD PRO 23 2HD PRO 23 -5.198 7.033 -2.933 183 H ARG 24 H ARG 24 -4.414 6.767 -6.690 184 HA ARG 24 HA ARG 24 -4.326 5.846 -8.696 185 1HB ARG 24 1HB ARG 24 -6.471 7.020 -9.195 186 2HB ARG 24 2HB ARG 24 -5.552 8.343 -9.921 187 1HG ARG 24 1HG ARG 24 -4.460 6.552 -11.442 188 2HG ARG 24 2HG ARG 24 -5.692 5.444 -10.816 189 1HD ARG 24 1HD ARG 24 -6.472 6.374 -12.904 190 2HD ARG 24 2HD ARG 24 -7.448 7.082 -11.599 191 HE ARG 24 HE ARG 24 -5.166 8.733 -12.153 192 1HH1 ARG 24 1HH2 ARG 24 -8.301 7.842 -13.583 193 2HH1 ARG 24 2HH2 ARG 24 -8.455 9.349 -14.454 194 1HH2 ARG 24 1HH1 ARG 24 -5.398 10.682 -13.293 195 2HH2 ARG 24 2HH1 ARG 24 -6.807 10.963 -14.292 196 H THR 25 H THR 25 -3.681 9.276 -9.575 197 HA THR 25 HA THR 25 -1.329 8.437 -11.092 198 HB THR 25 HB THR 25 -2.535 11.209 -10.742 199 HG1 THR 25 HG1 THR 25 -3.646 10.665 -12.649 200 1HG2 THR 25 1HG2 THR 25 -0.838 9.961 -12.962 201 2HG2 THR 25 2HG2 THR 25 -1.524 11.597 -12.973 202 3HG2 THR 25 3HG2 THR 25 -0.262 11.178 -11.806 203 H ASP 26 H ASP 26 -0.442 7.695 -8.931 204 HA ASP 26 HA ASP 26 0.910 7.782 -7.197 205 1HB ASP 26 1HB ASP 26 2.422 8.329 -9.064 206 2HB ASP 26 2HB ASP 26 2.347 10.035 -8.646 207 H VAL 27 H VAL 27 1.408 11.234 -7.461 208 HA VAL 27 HA VAL 27 1.392 12.809 -5.949 209 HB VAL 27 HB VAL 27 -0.425 13.224 -7.392 210 1HG1 VAL 27 1HG1 VAL 27 -1.950 11.288 -6.767 211 2HG1 VAL 27 2HG1 VAL 27 -2.430 12.253 -5.344 212 3HG1 VAL 27 3HG1 VAL 27 -2.715 12.868 -6.969 213 1HG2 VAL 27 1HG2 VAL 27 0.176 14.862 -5.654 214 2HG2 VAL 27 2HG2 VAL 27 -1.546 14.938 -6.065 215 3HG2 VAL 27 3HG2 VAL 27 -1.032 14.156 -4.559 216 H GLY 28 H GLY 28 -1.293 10.941 -4.407 217 1HA GLY 28 1HA GLY 28 -0.142 11.436 -1.733 218 2HA GLY 28 2HA GLY 28 -1.660 10.622 -2.137 219 H ALA 29 H ALA 29 1.775 10.162 -3.082 220 HA ALA 29 HA ALA 29 2.096 7.616 -1.783 221 1HB ALA 29 1HB ALA 29 0.660 6.953 -3.733 222 2HB ALA 29 2HB ALA 29 1.876 7.627 -4.828 223 3HB ALA 29 3HB ALA 29 2.267 6.229 -3.802 224 H GLY 30 H GLY 30 4.195 6.707 -3.553 225 1HA GLY 30 1HA GLY 30 6.344 8.397 -2.635 226 2HA GLY 30 2HA GLY 30 6.455 6.919 -3.598 227 H THR 31 H THR 31 5.555 10.373 -3.843 228 HA THR 31 HA THR 31 5.687 10.543 -6.667 229 HB THR 31 HB THR 31 5.917 12.807 -4.646 230 HG1 THR 31 HG1 THR 31 4.066 11.503 -4.365 231 1HG2 THR 31 1HG2 THR 31 5.043 12.736 -7.564 232 2HG2 THR 31 2HG2 THR 31 4.922 14.133 -6.476 233 3HG2 THR 31 3HG2 THR 31 6.515 13.510 -6.932 234 HA PRO 32 HA PRO 32 10.164 12.323 -5.959 235 1HB PRO 32 1HB PRO 32 10.982 10.471 -3.718 236 2HB PRO 32 2HB PRO 32 11.572 12.121 -4.076 237 1HG PRO 32 1HG PRO 32 9.768 11.749 -2.098 238 2HG PRO 32 2HG PRO 32 9.513 13.080 -3.270 239 1HD PRO 32 1HD PRO 32 8.290 10.308 -3.310 240 2HD PRO 32 2HD PRO 32 7.473 11.891 -3.438 241 H1 NAG 300 H1 NAG 3 9.783 -18.852 3.173 242 H2 NAG 300 H2 NAG 3 8.428 -16.771 1.390 243 H3 NAG 300 H3 NAG 3 8.136 -19.796 1.539 244 H4 NAG 300 H4 NAG 3 9.268 -17.948 -0.602 245 H5 NAG 300 H5 NAG 3 10.716 -19.895 1.258 246 1H6 NAG 300 1H6 NAG 3 11.785 -19.711 -0.968 247 2H6 NAG 300 2H6 NAG 3 12.768 -18.962 0.309 248 1H8 NAG 300 1H8 NAG 3 4.875 -18.123 4.179 249 2H8 NAG 300 2H8 NAG 3 5.708 -18.796 5.597 250 3H8 NAG 300 3H8 NAG 3 5.934 -17.086 5.159 251 HN2 NAG 300 HN2 NAG 3 6.742 -16.734 2.870 252 HO4 NAG 300 HO4 NAG 3 9.175 -20.803 -0.360 253 HO3 NAG 300 HO3 NAG 3 6.795 -19.392 -0.318 254 HO6 NAG 300 HO6 NAG 3 12.598 -17.647 -1.563 255 1HN NH2 33 1HN NH2 33 12.000 9.741 -7.608 256 2HN NH2 33 2HN NH2 33 11.971 11.415 -7.096
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