NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
15114 | 1xjh | 6335 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 H1 MET 1 -16.773 -39.359 29.067 2 2H MET 1 H2 MET 1 -15.193 -39.746 28.900 3 3H MET 1 H3 MET 1 -16.043 -40.306 30.187 4 HA MET 1 HA MET 1 -16.345 -38.054 31.020 5 1HB MET 1 2HB MET 1 -13.429 -38.834 30.547 6 2HB MET 1 3HB MET 1 -13.974 -37.547 31.617 7 1HG MET 1 2HG MET 1 -13.569 -39.386 33.018 8 2HG MET 1 3HG MET 1 -15.312 -39.205 32.917 9 1HE MET 1 1HE MET 1 -12.592 -41.024 30.561 10 2HE MET 1 2HE MET 1 -12.186 -41.435 32.244 11 3HE MET 1 3HE MET 1 -12.797 -42.688 31.144 12 H ASP 2 H ASP 2 -16.309 -35.857 30.648 13 HA ASP 2 HA ASP 2 -14.828 -34.720 28.381 14 1HB ASP 2 2HB ASP 2 -17.066 -35.727 27.539 15 2HB ASP 2 3HB ASP 2 -17.861 -34.462 28.473 16 H VAL 3 H VAL 3 -15.467 -32.268 28.201 17 HA VAL 3 HA VAL 3 -16.130 -31.039 30.826 18 HB VAL 3 HB VAL 3 -13.672 -31.349 30.740 19 1HG1 VAL 3 1HG1 VAL 3 -13.280 -31.037 28.307 20 2HG1 VAL 3 2HG1 VAL 3 -13.663 -29.307 28.478 21 3HG1 VAL 3 3HG1 VAL 3 -12.259 -29.996 29.308 22 1HG2 VAL 3 1HG2 VAL 3 -14.487 -28.420 30.703 23 2HG2 VAL 3 2HG2 VAL 3 -14.698 -29.538 32.071 24 3HG2 VAL 3 3HG2 VAL 3 -13.075 -29.137 31.493 25 H GLU 4 H GLU 4 -17.061 -29.031 30.734 26 HA GLU 4 HA GLU 4 -18.105 -28.182 28.101 27 1HB GLU 4 2HB GLU 4 -18.974 -27.633 30.971 28 2HB GLU 4 3HB GLU 4 -19.783 -27.004 29.533 29 1HG GLU 4 2HG GLU 4 -20.232 -29.305 28.743 30 2HG GLU 4 3HG GLU 4 -19.464 -29.961 30.189 31 H PHE 5 H PHE 5 -15.409 -27.520 28.784 32 HA PHE 5 HA PHE 5 -15.489 -24.572 28.430 33 1HB PHE 5 2HB PHE 5 -15.113 -25.149 30.870 34 2HB PHE 5 3HB PHE 5 -13.598 -25.896 30.411 35 HD1 PHE 5 HD1 PHE 5 -11.823 -24.362 29.186 36 HD2 PHE 5 HD2 PHE 5 -15.287 -22.836 31.268 37 HE1 PHE 5 HE1 PHE 5 -10.729 -22.153 29.400 38 HE2 PHE 5 HE2 PHE 5 -14.184 -20.622 31.469 39 HZ PHE 5 HZ PHE 5 -11.901 -20.277 30.542 40 H LYS 6 H LYS 6 -14.958 -24.755 26.304 41 HA LYS 6 HA LYS 6 -12.198 -25.531 25.571 42 1HB LYS 6 2HB LYS 6 -14.679 -26.603 24.141 43 2HB LYS 6 3HB LYS 6 -13.009 -26.835 23.626 44 1HG LYS 6 2HG LYS 6 -12.565 -28.210 25.645 45 2HG LYS 6 3HG LYS 6 -14.254 -27.982 26.157 46 1HD LYS 6 2HD LYS 6 -15.013 -28.992 23.997 47 2HD LYS 6 3HD LYS 6 -13.318 -29.373 23.612 48 1HE LYS 6 2HE LYS 6 -13.142 -30.776 25.618 49 2HE LYS 6 3HE LYS 6 -14.743 -30.256 26.156 50 1HZ LYS 6 1HZ LYS 6 -14.186 -31.936 23.780 51 2HZ LYS 6 2HZ LYS 6 -14.972 -32.368 25.166 52 3HZ LYS 6 3HZ LYS 6 -15.664 -31.317 24.141 53 H CYS 7 H CYS 7 -11.560 -24.670 23.595 54 HA CYS 7 HA CYS 7 -12.502 -22.098 22.797 55 1HB CYS 7 2HB CYS 7 -10.200 -22.966 22.548 56 2HB CYS 7 3HB CYS 7 -10.759 -24.103 21.308 57 H THR 8 H THR 8 -14.422 -21.664 21.829 58 HA THR 8 HA THR 8 -16.056 -23.739 20.680 59 HB THR 8 HB THR 8 -17.703 -21.998 20.241 60 HG1 THR 8 1HG THR 8 -16.522 -20.242 19.669 61 1HG2 THR 8 1HG2 THR 8 -16.397 -21.581 22.963 62 2HG2 THR 8 2HG2 THR 8 -18.084 -21.253 22.517 63 3HG2 THR 8 3HG2 THR 8 -17.487 -22.922 22.542 64 H CYS 9 H CYS 9 -13.611 -21.934 19.256 65 HA CYS 9 HA CYS 9 -14.567 -22.422 16.480 66 1HB CYS 9 2HB CYS 9 -12.775 -20.589 16.021 67 2HB CYS 9 3HB CYS 9 -14.384 -20.137 16.580 68 H SER 10 H SER 10 -11.332 -21.738 17.584 69 HA SER 10 HA SER 10 -10.213 -24.336 17.792 70 1HB SER 10 2HB SER 10 -10.150 -23.137 14.997 71 2HB SER 10 3HB SER 10 -8.790 -24.111 15.566 72 HG SER 10 HG SER 10 -11.474 -24.996 15.665 73 H ARG 11 H ARG 11 -7.933 -24.372 18.058 74 HA ARG 11 HA ARG 11 -6.730 -22.141 19.315 75 1HB ARG 11 2HB ARG 11 -6.080 -24.624 19.379 76 2HB ARG 11 3HB ARG 11 -5.189 -24.355 17.885 77 1HG ARG 11 2HG ARG 11 -3.790 -22.620 19.001 78 2HG ARG 11 3HG ARG 11 -4.764 -22.776 20.457 79 1HD ARG 11 2HD ARG 11 -2.934 -24.056 21.019 80 2HD ARG 11 3HD ARG 11 -4.033 -25.287 20.426 81 HE ARG 11 HE ARG 11 -2.734 -25.508 18.427 82 1HH1 ARG 11 1HH1 ARG 11 -1.223 -23.172 20.597 83 2HH1 ARG 11 2HH1 ARG 11 0.323 -23.330 19.790 84 1HH2 ARG 11 1HH2 ARG 11 -0.690 -25.619 17.492 85 2HH2 ARG 11 2HH2 ARG 11 0.625 -24.692 18.183 86 H GLU 12 H GLU 12 -6.789 -23.041 15.989 87 HA GLU 12 HA GLU 12 -4.743 -21.468 14.855 88 1HB GLU 12 2HB GLU 12 -6.358 -23.233 13.807 89 2HB GLU 12 3HB GLU 12 -7.470 -21.888 13.582 90 1HG GLU 12 2HG GLU 12 -6.339 -22.130 11.528 91 2HG GLU 12 3HG GLU 12 -5.590 -20.722 12.267 92 H ARG 13 H ARG 13 -7.951 -20.421 16.021 93 HA ARG 13 HA ARG 13 -7.839 -17.733 14.831 94 1HB ARG 13 2HB ARG 13 -9.569 -19.028 16.990 95 2HB ARG 13 3HB ARG 13 -9.615 -17.320 16.639 96 1HG ARG 13 2HG ARG 13 -11.406 -18.322 15.447 97 2HG ARG 13 3HG ARG 13 -10.210 -17.780 14.272 98 1HD ARG 13 2HD ARG 13 -9.389 -20.137 14.053 99 2HD ARG 13 3HD ARG 13 -10.566 -20.643 15.262 100 HE ARG 13 HE ARG 13 -12.284 -20.466 13.683 101 1HH1 ARG 13 1HH2 ARG 13 -9.387 -19.122 12.228 102 2HH1 ARG 13 2HH2 ARG 13 -10.079 -19.145 10.631 103 1HH2 ARG 13 1HH1 ARG 13 -13.093 -20.464 11.620 104 2HH2 ARG 13 2HH1 ARG 13 -12.119 -19.878 10.305 105 H CYS 14 H CYS 14 -7.141 -19.110 18.034 106 HA CYS 14 HA CYS 14 -6.191 -16.695 19.268 107 1HB CYS 14 2HB CYS 14 -6.847 -18.894 20.377 108 2HB CYS 14 3HB CYS 14 -5.301 -19.559 19.839 109 HG CYS 14 HG CYS 14 -5.891 -16.903 21.758 110 H ALA 15 H ALA 15 -4.522 -19.232 17.393 111 HA ALA 15 HA ALA 15 -1.865 -18.206 17.562 112 1HB ALA 15 1HB ALA 15 -3.169 -19.848 15.347 113 2HB ALA 15 2HB ALA 15 -1.436 -19.683 15.648 114 3HB ALA 15 3HB ALA 15 -2.465 -20.512 16.837 115 H ASP 16 H ASP 16 -4.457 -17.581 15.100 116 HA ASP 16 HA ASP 16 -2.916 -15.863 13.422 117 1HB ASP 16 2HB ASP 16 -5.083 -16.871 12.800 118 2HB ASP 16 3HB ASP 16 -5.908 -15.868 13.991 119 H ALA 17 H ALA 17 -4.889 -15.154 16.319 120 HA ALA 17 HA ALA 17 -4.604 -12.322 16.311 121 1HB ALA 17 1HB ALA 17 -6.280 -13.576 17.640 122 2HB ALA 17 2HB ALA 17 -4.983 -14.186 18.692 123 3HB ALA 17 3HB ALA 17 -5.332 -12.451 18.633 124 H LEU 18 H LEU 18 -2.344 -14.862 17.476 125 HA LEU 18 HA LEU 18 -0.540 -13.035 18.822 126 1HB LEU 18 2HB LEU 18 -0.773 -15.303 19.580 127 2HB LEU 18 3HB LEU 18 -0.618 -15.955 17.977 128 HG LEU 18 HG LEU 18 1.670 -15.366 17.837 129 1HD1 LEU 18 1HD1 LEU 18 1.860 -13.403 19.326 130 2HD1 LEU 18 2HD1 LEU 18 1.428 -14.402 20.731 131 3HD1 LEU 18 3HD1 LEU 18 2.966 -14.660 19.878 132 1HD2 LEU 18 1HD2 LEU 18 2.525 -16.991 19.529 133 2HD2 LEU 18 2HD2 LEU 18 0.969 -16.891 20.375 134 3HD2 LEU 18 3HD2 LEU 18 1.049 -17.558 18.730 135 H LYS 19 H LYS 19 -0.653 -14.762 15.649 136 HA LYS 19 HA LYS 19 1.821 -14.088 14.623 137 1HB LYS 19 2HB LYS 19 -0.279 -15.579 13.866 138 2HB LYS 19 3HB LYS 19 -0.605 -14.221 12.809 139 1HG LYS 19 2HG LYS 19 2.178 -15.428 12.918 140 2HG LYS 19 3HG LYS 19 0.864 -16.342 12.189 141 1HD LYS 19 2HD LYS 19 0.424 -14.591 10.557 142 2HD LYS 19 3HD LYS 19 1.657 -13.538 11.287 143 1HE LYS 19 2HE LYS 19 3.432 -15.089 10.727 144 2HE LYS 19 3HE LYS 19 2.270 -16.322 10.220 145 1HZ LYS 19 1HZ LYS 19 2.642 -13.722 8.832 146 2HZ LYS 19 2HZ LYS 19 3.208 -15.184 8.321 147 3HZ LYS 19 3HZ LYS 19 1.611 -14.938 8.387 148 H THR 20 H THR 20 -1.003 -11.944 14.703 149 HA THR 20 HA THR 20 0.171 -10.012 12.840 150 HB THR 20 HB THR 20 -1.772 -8.591 13.484 151 HG1 THR 20 1HG THR 20 -3.355 -9.536 14.775 152 1HG2 THR 20 1HG2 THR 20 -1.932 -10.196 11.604 153 2HG2 THR 20 2HG2 THR 20 -2.521 -11.446 12.720 154 3HG2 THR 20 3HG2 THR 20 -3.482 -9.979 12.434 155 H LEU 21 H LEU 21 0.714 -10.545 16.219 156 HA LEU 21 HA LEU 21 1.076 -7.804 17.013 157 1HB LEU 21 2HB LEU 21 2.222 -10.396 18.135 158 2HB LEU 21 3HB LEU 21 2.287 -8.839 18.934 159 HG LEU 21 HG LEU 21 -0.252 -10.396 18.308 160 1HD1 LEU 21 1HD1 LEU 21 1.112 -9.766 20.956 161 2HD1 LEU 21 2HD1 LEU 21 -0.397 -10.682 20.732 162 3HD1 LEU 21 3HD1 LEU 21 1.134 -11.338 20.133 163 1HD2 LEU 21 1HD2 LEU 21 -1.380 -8.701 19.746 164 2HD2 LEU 21 2HD2 LEU 21 0.121 -7.748 19.775 165 3HD2 LEU 21 3HD2 LEU 21 -0.764 -8.002 18.250 166 HA PRO 22 HA PRO 22 4.995 -6.671 15.308 167 1HB PRO 22 2HB PRO 22 5.865 -5.891 18.092 168 2HB PRO 22 3HB PRO 22 5.972 -4.954 16.572 169 1HG PRO 22 2HG PRO 22 4.026 -4.419 18.385 170 2HG PRO 22 3HG PRO 22 3.643 -4.449 16.633 171 1HD PRO 22 2HD PRO 22 3.158 -6.605 18.698 172 2HD PRO 22 3HD PRO 22 2.078 -6.004 17.403 173 H ASP 23 H ASP 23 6.815 -7.799 14.778 174 HA ASP 23 HA ASP 23 7.453 -10.302 15.930 175 1HB ASP 23 2HB ASP 23 9.119 -8.430 14.198 176 2HB ASP 23 3HB ASP 23 9.596 -10.077 14.611 177 H GLU 24 H GLU 24 8.930 -7.111 16.559 178 HA GLU 24 HA GLU 24 11.012 -8.067 18.292 179 1HB GLU 24 2HB GLU 24 11.301 -5.754 18.936 180 2HB GLU 24 3HB GLU 24 11.108 -5.894 17.191 181 1HG GLU 24 2HG GLU 24 8.704 -5.176 17.436 182 2HG GLU 24 3HG GLU 24 8.977 -4.956 19.165 183 H GLU 25 H GLU 25 7.620 -7.199 18.965 184 HA GLU 25 HA GLU 25 7.914 -7.217 21.855 185 1HB GLU 25 2HB GLU 25 6.109 -6.012 20.646 186 2HB GLU 25 3HB GLU 25 5.410 -7.559 20.147 187 1HG GLU 25 2HG GLU 25 5.002 -8.171 22.490 188 2HG GLU 25 3HG GLU 25 5.844 -6.722 23.046 189 H VAL 26 H VAL 26 6.739 -9.615 19.456 190 HA VAL 26 HA VAL 26 6.214 -11.732 21.332 191 HB VAL 26 HB VAL 26 6.898 -11.812 18.365 192 1HG1 VAL 26 1HG1 VAL 26 7.354 -14.034 19.317 193 2HG1 VAL 26 2HG1 VAL 26 5.781 -14.024 20.143 194 3HG1 VAL 26 3HG1 VAL 26 5.863 -14.074 18.372 195 1HG2 VAL 26 1HG2 VAL 26 4.782 -10.624 18.906 196 2HG2 VAL 26 2HG2 VAL 26 4.460 -12.157 18.094 197 3HG2 VAL 26 3HG2 VAL 26 4.236 -12.023 19.851 198 H ASP 27 H ASP 27 9.153 -10.957 19.394 199 HA ASP 27 HA ASP 27 10.762 -13.101 20.375 200 1HB ASP 27 2HB ASP 27 11.274 -11.762 18.368 201 2HB ASP 27 3HB ASP 27 11.566 -10.342 19.377 202 H SER 28 H SER 28 10.231 -9.789 21.698 203 HA SER 28 HA SER 28 12.229 -9.900 23.733 204 1HB SER 28 2HB SER 28 9.580 -8.399 23.705 205 2HB SER 28 3HB SER 28 10.864 -8.180 24.904 206 HG SER 28 HG SER 28 10.978 -7.697 22.108 207 H ILE 29 H ILE 29 8.759 -10.929 23.868 208 HA ILE 29 HA ILE 29 8.885 -11.693 26.629 209 HB ILE 29 HB ILE 29 6.998 -12.720 24.474 210 1HG1 ILE 29 2HG1 ILE 29 6.494 -10.520 26.533 211 2HG1 ILE 29 3HG1 ILE 29 7.010 -10.170 24.897 212 1HG2 ILE 29 1HG2 ILE 29 6.927 -12.821 27.535 213 2HG2 ILE 29 2HG2 ILE 29 5.540 -13.220 26.520 214 3HG2 ILE 29 3HG2 ILE 29 6.993 -14.202 26.423 215 1HD1 ILE 29 1HD1 ILE 29 4.637 -9.908 24.974 216 2HD1 ILE 29 2HD1 ILE 29 4.999 -11.341 23.993 217 3HD1 ILE 29 3HD1 ILE 29 4.399 -11.520 25.660 218 H LEU 30 H LEU 30 9.361 -13.572 23.590 219 HA LEU 30 HA LEU 30 9.871 -16.091 24.861 220 1HB LEU 30 2HB LEU 30 10.814 -14.946 22.208 221 2HB LEU 30 3HB LEU 30 11.048 -16.623 22.688 222 HG LEU 30 HG LEU 30 8.306 -15.312 22.420 223 1HD1 LEU 30 1HD1 LEU 30 8.134 -16.540 20.306 224 2HD1 LEU 30 2HD1 LEU 30 9.507 -15.431 20.257 225 3HD1 LEU 30 3HD1 LEU 30 9.786 -17.169 20.509 226 1HD2 LEU 30 1HD2 LEU 30 8.223 -17.226 23.915 227 2HD2 LEU 30 2HD2 LEU 30 7.486 -17.649 22.373 228 3HD2 LEU 30 3HD2 LEU 30 9.128 -18.221 22.750 229 H ALA 31 H ALA 31 12.063 -13.356 24.174 230 HA ALA 31 HA ALA 31 14.469 -14.724 24.986 231 1HB ALA 31 1HB ALA 31 14.433 -12.812 23.426 232 2HB ALA 31 2HB ALA 31 13.840 -11.753 24.728 233 3HB ALA 31 3HB ALA 31 15.458 -12.475 24.832 234 H GLU 32 H GLU 32 11.898 -13.505 26.928 235 HA GLU 32 HA GLU 32 13.698 -13.351 29.334 236 1HB GLU 32 2HB GLU 32 11.183 -11.767 28.706 237 2HB GLU 32 3HB GLU 32 11.973 -11.818 30.285 238 1HG GLU 32 2HG GLU 32 14.097 -10.998 29.207 239 2HG GLU 32 3HG GLU 32 13.202 -10.761 27.707 240 H ASP 33 H ASP 33 10.863 -14.927 28.028 241 HA ASP 33 HA ASP 33 10.616 -16.456 30.587 242 1HB ASP 33 2HB ASP 33 8.848 -14.600 30.219 243 2HB ASP 33 3HB ASP 33 8.217 -15.619 28.935 244 H GLY 34 H GLY 34 10.853 -16.636 27.141 245 1HA GLY 34 2HA GLY 34 11.160 -18.481 25.801 246 2HA GLY 34 3HA GLY 34 10.920 -19.524 27.197 247 H GLU 35 H GLU 35 8.151 -17.780 27.260 248 HA GLU 35 HA GLU 35 6.665 -18.989 25.073 249 1HB GLU 35 2HB GLU 35 5.183 -20.349 26.453 250 2HB GLU 35 3HB GLU 35 6.838 -20.918 26.578 251 1HG GLU 35 2HG GLU 35 7.051 -19.705 28.776 252 2HG GLU 35 3HG GLU 35 5.356 -19.227 28.638 253 H ILE 36 H ILE 36 4.309 -18.578 25.321 254 HA ILE 36 HA ILE 36 3.624 -16.007 26.681 255 HB ILE 36 HB ILE 36 3.153 -16.823 23.780 256 1HG1 ILE 36 2HG1 ILE 36 4.592 -14.358 24.841 257 2HG1 ILE 36 3HG1 ILE 36 5.445 -15.838 24.417 258 1HG2 ILE 36 1HG2 ILE 36 1.978 -14.643 23.517 259 2HG2 ILE 36 2HG2 ILE 36 1.132 -15.694 24.634 260 3HG2 ILE 36 3HG2 ILE 36 2.124 -14.357 25.263 261 1HD1 ILE 36 1HD1 ILE 36 4.595 -15.677 22.099 262 2HD1 ILE 36 2HD1 ILE 36 3.911 -14.078 22.496 263 3HD1 ILE 36 3HD1 ILE 36 5.660 -14.350 22.602 264 H ASP 37 H ASP 37 1.645 -16.007 27.584 265 HA ASP 37 HA ASP 37 -0.214 -18.333 27.228 266 1HB ASP 37 2HB ASP 37 0.842 -18.463 29.410 267 2HB ASP 37 3HB ASP 37 0.564 -16.750 29.704 268 H MET 38 H MET 38 -1.827 -17.588 25.958 269 HA MET 38 HA MET 38 -3.138 -15.032 26.703 270 1HB MET 38 2HB MET 38 -3.164 -14.234 24.405 271 2HB MET 38 3HB MET 38 -1.530 -14.373 25.045 272 1HG MET 38 2HG MET 38 -1.211 -16.498 23.832 273 2HG MET 38 3HG MET 38 -2.846 -16.383 23.170 274 1HE MET 38 1HE MET 38 -3.448 -13.622 22.138 275 2HE MET 38 2HE MET 38 -2.671 -13.610 20.541 276 3HE MET 38 3HE MET 38 -3.504 -15.072 21.107 277 H HIS 39 H HIS 39 -5.159 -14.620 25.825 278 HA HIS 39 HA HIS 39 -6.849 -17.023 25.586 279 1HB HIS 39 2HB HIS 39 -8.656 -15.285 25.977 280 2HB HIS 39 3HB HIS 39 -7.541 -15.589 27.295 281 HD1 HIS 39 HD1 HIS 39 -6.989 -13.096 24.363 282 HD2 HIS 39 HD2 HIS 39 -7.425 -13.314 28.543 283 HE1 HIS 39 HE1 HIS 39 -6.564 -10.731 25.254 284 H CYS 40 H CYS 40 -8.182 -17.466 23.933 285 HA CYS 40 HA CYS 40 -7.678 -16.655 21.284 286 1HB CYS 40 2HB CYS 40 -8.712 -18.795 22.086 287 2HB CYS 40 3HB CYS 40 -10.175 -17.895 22.515 288 H ASP 41 H ASP 41 -8.282 -14.922 20.140 289 HA ASP 41 HA ASP 41 -9.653 -12.692 21.245 290 1HB ASP 41 2HB ASP 41 -7.902 -12.686 19.460 291 2HB ASP 41 3HB ASP 41 -9.080 -13.352 18.330 292 H TYR 42 H TYR 42 -11.036 -15.530 19.941 293 HA TYR 42 HA TYR 42 -13.569 -14.224 19.084 294 1HB TYR 42 2HB TYR 42 -12.274 -16.921 18.657 295 2HB TYR 42 3HB TYR 42 -13.966 -16.655 18.324 296 HD1 TYR 42 HD1 TYR 42 -10.519 -15.458 17.443 297 HD2 TYR 42 HD2 TYR 42 -14.675 -15.625 16.285 298 HE1 TYR 42 HE1 TYR 42 -9.936 -14.539 15.199 299 HE2 TYR 42 HE2 TYR 42 -14.088 -14.714 14.045 300 HH TYR 42 HH TYR 42 -12.416 -13.960 12.674 301 H CYS 43 H CYS 43 -12.389 -16.531 21.532 302 HA CYS 43 HA CYS 43 -15.060 -16.427 22.855 303 1HB CYS 43 2HB CYS 43 -14.954 -18.867 23.201 304 2HB CYS 43 3HB CYS 43 -15.035 -18.414 21.497 305 H GLY 44 H GLY 44 -11.798 -15.880 23.447 306 1HA GLY 44 2HA GLY 44 -10.820 -15.254 25.422 307 2HA GLY 44 3HA GLY 44 -12.278 -15.695 26.299 308 H ASN 45 H ASN 45 -11.430 -18.475 24.652 309 HA ASN 45 HA ASN 45 -10.502 -19.845 27.014 310 1HB ASN 45 2HB ASN 45 -10.711 -20.595 24.065 311 2HB ASN 45 3HB ASN 45 -10.063 -21.699 25.276 312 1HD2 ASN 45 2HD2 ASN 45 -13.037 -20.167 24.116 313 2HD2 ASN 45 1HD2 ASN 45 -14.076 -21.107 25.179 314 H HIS 46 H HIS 46 -8.448 -20.302 27.755 315 HA HIS 46 HA HIS 46 -6.223 -18.817 26.563 316 1HB HIS 46 2HB HIS 46 -6.752 -20.265 29.137 317 2HB HIS 46 3HB HIS 46 -5.083 -20.143 28.611 318 HD1 HIS 46 HD1 HIS 46 -3.843 -17.976 29.208 319 HD2 HIS 46 HD2 HIS 46 -8.052 -17.662 29.255 320 HE1 HIS 46 HE1 HIS 46 -4.382 -15.633 30.057 321 H TYR 47 H TYR 47 -4.207 -19.577 25.942 322 HA TYR 47 HA TYR 47 -3.692 -22.419 25.489 323 1HB TYR 47 2HB TYR 47 -4.057 -20.289 23.342 324 2HB TYR 47 3HB TYR 47 -2.957 -21.624 23.100 325 HD1 TYR 47 HD1 TYR 47 -6.334 -20.564 22.759 326 HD2 TYR 47 HD2 TYR 47 -3.904 -24.044 23.519 327 HE1 TYR 47 HE1 TYR 47 -8.166 -22.040 21.902 328 HE2 TYR 47 HE2 TYR 47 -5.742 -25.516 22.710 329 HH TYR 47 HH TYR 47 -7.833 -25.621 21.834 330 H LEU 48 H LEU 48 -1.476 -22.759 24.995 331 HA LEU 48 HA LEU 48 0.279 -20.520 25.826 332 1HB LEU 48 2HB LEU 48 0.760 -23.522 26.093 333 2HB LEU 48 3HB LEU 48 1.863 -22.257 26.621 334 HG LEU 48 HG LEU 48 -0.898 -22.815 27.798 335 1HD1 LEU 48 1HD1 LEU 48 0.361 -23.582 29.759 336 2HD1 LEU 48 2HD1 LEU 48 0.797 -24.532 28.329 337 3HD1 LEU 48 3HD1 LEU 48 1.897 -23.266 28.921 338 1HD2 LEU 48 1HD2 LEU 48 1.249 -20.816 28.625 339 2HD2 LEU 48 2HD2 LEU 48 -0.385 -20.445 28.023 340 3HD2 LEU 48 3HD2 LEU 48 -0.188 -21.233 29.588 341 H PHE 49 H PHE 49 2.093 -20.076 24.605 342 HA PHE 49 HA PHE 49 2.633 -21.643 22.100 343 1HB PHE 49 2HB PHE 49 2.397 -18.614 22.343 344 2HB PHE 49 3HB PHE 49 2.876 -19.502 20.908 345 HD1 PHE 49 HD1 PHE 49 0.031 -18.628 23.124 346 HD2 PHE 49 HD2 PHE 49 1.242 -20.614 19.498 347 HE1 PHE 49 HE1 PHE 49 -2.339 -18.751 22.401 348 HE2 PHE 49 HE2 PHE 49 -1.132 -20.743 18.775 349 HZ PHE 49 HZ PHE 49 -2.928 -19.813 20.227 350 H ASN 50 H ASN 50 4.750 -21.961 21.715 351 HA ASN 50 HA ASN 50 6.793 -20.363 23.205 352 1HB ASN 50 2HB ASN 50 8.147 -22.390 23.460 353 2HB ASN 50 3HB ASN 50 6.613 -22.522 24.272 354 1HD2 ASN 50 2HD2 ASN 50 5.816 -24.616 24.056 355 2HD2 ASN 50 1HD2 ASN 50 5.993 -25.576 22.594 356 H ALA 51 H ALA 51 9.023 -20.813 22.189 357 HA ALA 51 HA ALA 51 9.064 -19.511 19.690 358 1HB ALA 51 1HB ALA 51 11.214 -21.253 20.969 359 2HB ALA 51 2HB ALA 51 11.469 -20.052 19.684 360 3HB ALA 51 3HB ALA 51 10.933 -19.524 21.290 361 H MET 52 H MET 52 9.240 -23.058 20.281 362 HA MET 52 HA MET 52 9.733 -23.727 17.491 363 1HB MET 52 2HB MET 52 8.671 -25.460 19.755 364 2HB MET 52 3HB MET 52 9.249 -26.029 18.191 365 1HG MET 52 2HG MET 52 10.937 -24.623 20.304 366 2HG MET 52 3HG MET 52 10.895 -26.342 19.964 367 1HE MET 52 1HE MET 52 11.689 -22.828 18.029 368 2HE MET 52 2HE MET 52 12.714 -23.133 19.451 369 3HE MET 52 3HE MET 52 13.409 -23.186 17.817 370 H ASP 53 H ASP 53 6.779 -23.505 19.500 371 HA ASP 53 HA ASP 53 4.967 -24.517 17.493 372 1HB ASP 53 2HB ASP 53 4.590 -24.306 19.977 373 2HB ASP 53 3HB ASP 53 4.451 -22.568 19.777 374 H ILE 54 H ILE 54 6.043 -21.235 18.394 375 HA ILE 54 HA ILE 54 4.517 -19.775 16.442 376 HB ILE 54 HB ILE 54 6.978 -19.202 18.115 377 1HG1 ILE 54 2HG1 ILE 54 4.163 -18.021 18.141 378 2HG1 ILE 54 3HG1 ILE 54 4.607 -19.428 19.094 379 1HG2 ILE 54 1HG2 ILE 54 6.786 -16.817 17.436 380 2HG2 ILE 54 2HG2 ILE 54 7.283 -17.862 16.111 381 3HG2 ILE 54 3HG2 ILE 54 5.597 -17.282 16.194 382 1HD1 ILE 54 1HD1 ILE 54 4.686 -17.533 20.538 383 2HD1 ILE 54 2HD1 ILE 54 6.345 -18.091 20.274 384 3HD1 ILE 54 3HD1 ILE 54 5.743 -16.636 19.438 385 H ALA 55 H ALA 55 7.678 -21.426 16.301 386 HA ALA 55 HA ALA 55 8.420 -20.392 13.712 387 1HB ALA 55 1HB ALA 55 10.044 -21.431 15.250 388 2HB ALA 55 2HB ALA 55 9.248 -23.008 15.037 389 3HB ALA 55 3HB ALA 55 10.041 -22.221 13.664 390 H GLU 56 H GLU 56 6.393 -23.181 14.689 391 HA GLU 56 HA GLU 56 6.057 -24.194 11.966 392 1HB GLU 56 2HB GLU 56 4.485 -24.628 14.540 393 2HB GLU 56 3HB GLU 56 4.077 -25.400 13.013 394 1HG GLU 56 2HG GLU 56 6.774 -25.708 14.403 395 2HG GLU 56 3HG GLU 56 5.423 -26.815 14.593 396 H ILE 57 H ILE 57 4.183 -21.983 14.080 397 HA ILE 57 HA ILE 57 1.998 -21.502 12.287 398 HB ILE 57 HB ILE 57 3.270 -19.873 14.507 399 1HG1 ILE 57 2HG1 ILE 57 0.537 -21.219 14.428 400 2HG1 ILE 57 3HG1 ILE 57 1.977 -22.079 14.947 401 1HG2 ILE 57 1HG2 ILE 57 1.231 -18.410 14.453 402 2HG2 ILE 57 2HG2 ILE 57 2.228 -18.230 13.022 403 3HG2 ILE 57 3HG2 ILE 57 0.737 -19.198 12.942 404 1HD1 ILE 57 1HD1 ILE 57 2.342 -20.465 16.779 405 2HD1 ILE 57 2HD1 ILE 57 0.871 -19.588 16.309 406 3HD1 ILE 57 3HD1 ILE 57 0.762 -21.259 16.881 407 H ARG 58 H ARG 58 5.171 -19.896 12.568 408 HA ARG 58 HA ARG 58 4.809 -17.954 10.458 409 1HB ARG 58 2HB ARG 58 7.235 -19.157 11.846 410 2HB ARG 58 3HB ARG 58 7.390 -17.960 10.562 411 1HG ARG 58 2HG ARG 58 6.110 -16.314 11.817 412 2HG ARG 58 3HG ARG 58 5.763 -17.481 13.098 413 1HD ARG 58 2HD ARG 58 8.188 -17.695 13.572 414 2HD ARG 58 3HD ARG 58 8.551 -16.513 12.315 415 HE ARG 58 HE ARG 58 7.505 -16.011 15.006 416 1HH1 ARG 58 1HH2 ARG 58 7.840 -14.486 11.823 417 2HH1 ARG 58 2HH2 ARG 58 7.671 -12.891 12.566 418 1HH2 ARG 58 1HH1 ARG 58 7.316 -13.871 15.731 419 2HH2 ARG 58 2HH1 ARG 58 7.404 -12.594 14.512 420 H ASN 59 H ASN 59 5.131 -21.291 10.202 421 HA ASN 59 HA ASN 59 5.927 -21.132 7.320 422 1HB ASN 59 2HB ASN 59 6.522 -23.215 9.457 423 2HB ASN 59 3HB ASN 59 6.619 -23.585 7.739 424 1HD2 ASN 59 2HD2 ASN 59 8.194 -21.868 10.364 425 2HD2 ASN 59 1HD2 ASN 59 9.598 -21.399 9.402 426 H ASN 60 H ASN 60 3.230 -21.084 8.952 427 HA ASN 60 HA ASN 60 1.752 -22.834 7.036 428 1HB ASN 60 2HB ASN 60 2.017 -23.981 9.244 429 2HB ASN 60 3HB ASN 60 1.225 -22.617 10.033 430 1HD2 ASN 60 2HD2 ASN 60 0.735 -25.263 7.670 431 2HD2 ASN 60 1HD2 ASN 60 -1.011 -25.294 7.866 432 H ALA 61 H ALA 61 1.776 -19.912 9.058 433 HA ALA 61 HA ALA 61 -0.740 -18.936 7.791 434 1HB ALA 61 1HB ALA 61 -0.821 -17.409 9.709 435 2HB ALA 61 2HB ALA 61 -0.664 -19.086 10.259 436 3HB ALA 61 3HB ALA 61 0.750 -18.010 10.282 437 H SER 62 H SER 62 2.025 -18.964 6.545 438 HA SER 62 HA SER 62 2.273 -16.074 5.787 439 1HB SER 62 2HB SER 62 4.508 -18.098 6.201 440 2HB SER 62 3HB SER 62 4.706 -16.475 5.521 441 HG SER 62 HG SER 62 5.119 -16.721 7.846 Start of MODEL 2 1 1H MET 1 H1 MET 1 -1.139 -16.291 8.729 2 2H MET 1 H2 MET 1 -2.489 -15.483 8.283 3 3H MET 1 H3 MET 1 -1.920 -16.707 7.353 4 HA MET 1 HA MET 1 0.081 -15.469 6.846 5 1HB MET 1 2HB MET 1 -1.862 -15.311 5.317 6 2HB MET 1 3HB MET 1 -2.473 -13.918 6.220 7 1HG MET 1 2HG MET 1 -0.440 -12.642 5.646 8 2HG MET 1 3HG MET 1 0.216 -14.034 4.783 9 1HE MET 1 1HE MET 1 -0.423 -14.752 2.397 10 2HE MET 1 2HE MET 1 -2.049 -15.203 2.968 11 3HE MET 1 3HE MET 1 -1.864 -14.189 1.522 12 H ASP 2 H ASP 2 1.531 -13.980 7.505 13 HA ASP 2 HA ASP 2 0.725 -11.563 8.981 14 1HB ASP 2 2HB ASP 2 0.971 -13.296 10.744 15 2HB ASP 2 3HB ASP 2 2.594 -13.666 10.156 16 H VAL 3 H VAL 3 2.162 -9.901 8.685 17 HA VAL 3 HA VAL 3 4.284 -10.261 6.653 18 HB VAL 3 HB VAL 3 4.403 -7.718 6.832 19 1HG1 VAL 3 1HG1 VAL 3 2.441 -7.408 5.404 20 2HG1 VAL 3 2HG1 VAL 3 3.302 -8.897 4.984 21 3HG1 VAL 3 3HG1 VAL 3 1.790 -8.983 5.917 22 1HG2 VAL 3 1HG2 VAL 3 2.541 -6.500 7.733 23 2HG2 VAL 3 2HG2 VAL 3 1.685 -7.981 8.193 24 3HG2 VAL 3 3HG2 VAL 3 3.177 -7.511 9.038 25 H GLU 4 H GLU 4 6.417 -9.729 6.877 26 HA GLU 4 HA GLU 4 7.566 -9.926 9.562 27 1HB GLU 4 2HB GLU 4 8.815 -9.825 6.777 28 2HB GLU 4 3HB GLU 4 9.693 -10.132 8.279 29 1HG GLU 4 2HG GLU 4 8.287 -12.151 8.686 30 2HG GLU 4 3HG GLU 4 7.511 -11.906 7.118 31 H PHE 5 H PHE 5 6.149 -7.498 8.911 32 HA PHE 5 HA PHE 5 8.113 -5.486 9.777 33 1HB PHE 5 2HB PHE 5 8.094 -5.519 7.222 34 2HB PHE 5 3HB PHE 5 6.404 -5.046 7.288 35 HD1 PHE 5 HD1 PHE 5 9.887 -4.026 8.151 36 HD2 PHE 5 HD2 PHE 5 5.803 -2.721 7.663 37 HE1 PHE 5 HE1 PHE 5 10.630 -1.656 8.274 38 HE2 PHE 5 HE2 PHE 5 6.552 -0.352 7.798 39 HZ PHE 5 HZ PHE 5 8.962 0.180 8.092 40 H LYS 6 H LYS 6 7.068 -3.661 10.797 41 HA LYS 6 HA LYS 6 4.129 -3.688 11.153 42 1HB LYS 6 2HB LYS 6 6.132 -3.766 13.458 43 2HB LYS 6 3HB LYS 6 4.395 -3.548 13.631 44 1HG LYS 6 2HG LYS 6 5.736 -6.061 12.543 45 2HG LYS 6 3HG LYS 6 5.183 -5.840 14.193 46 1HD LYS 6 2HD LYS 6 2.889 -5.808 13.585 47 2HD LYS 6 3HD LYS 6 3.242 -5.569 11.868 48 1HE LYS 6 2HE LYS 6 4.296 -7.791 11.733 49 2HE LYS 6 3HE LYS 6 3.957 -8.075 13.446 50 1HZ LYS 6 1HZ LYS 6 1.866 -7.574 11.397 51 2HZ LYS 6 2HZ LYS 6 2.277 -9.062 11.914 52 3HZ LYS 6 3HZ LYS 6 1.601 -7.994 12.956 53 H CYS 7 H CYS 7 3.367 -1.826 12.235 54 HA CYS 7 HA CYS 7 2.938 0.374 12.382 55 1HB CYS 7 2HB CYS 7 4.701 0.190 14.063 56 2HB CYS 7 3HB CYS 7 5.917 0.509 12.842 57 H THR 8 H THR 8 3.287 2.591 11.407 58 HA THR 8 HA THR 8 3.712 2.379 8.477 59 HB THR 8 HB THR 8 2.923 4.765 8.486 60 HG1 THR 8 1HG THR 8 1.922 5.482 10.382 61 1HG2 THR 8 1HG2 THR 8 1.371 2.878 8.065 62 2HG2 THR 8 2HG2 THR 8 1.032 2.766 9.807 63 3HG2 THR 8 3HG2 THR 8 0.569 4.222 8.896 64 H CYS 9 H CYS 9 5.416 3.328 11.283 65 HA CYS 9 HA CYS 9 7.377 5.111 10.039 66 1HB CYS 9 2HB CYS 9 7.231 3.756 12.774 67 2HB CYS 9 3HB CYS 9 8.338 5.053 12.330 68 H SER 10 H SER 10 9.632 4.170 11.341 69 HA SER 10 HA SER 10 10.340 1.457 10.376 70 1HB SER 10 2HB SER 10 11.917 3.997 9.749 71 2HB SER 10 3HB SER 10 12.489 2.343 9.471 72 HG SER 10 HG SER 10 11.588 3.297 7.579 73 H ARG 11 H ARG 11 12.518 0.818 11.379 74 HA ARG 11 HA ARG 11 12.462 1.084 14.202 75 1HB ARG 11 2HB ARG 11 14.826 0.387 12.393 76 2HB ARG 11 3HB ARG 11 14.808 0.218 14.149 77 1HG ARG 11 2HG ARG 11 12.807 -1.320 13.912 78 2HG ARG 11 3HG ARG 11 13.039 -1.258 12.162 79 1HD ARG 11 2HD ARG 11 14.101 -3.240 12.853 80 2HD ARG 11 3HD ARG 11 15.413 -2.110 12.548 81 HE ARG 11 HE ARG 11 14.368 -2.984 15.230 82 1HH1 ARG 11 1HH2 ARG 11 17.119 -1.550 13.494 83 2HH1 ARG 11 2HH2 ARG 11 18.112 -1.727 14.946 84 1HH2 ARG 11 1HH1 ARG 11 15.838 -3.085 16.963 85 2HH2 ARG 11 2HH1 ARG 11 17.456 -2.459 16.653 86 H GLU 12 H GLU 12 14.130 3.078 11.876 87 HA GLU 12 HA GLU 12 15.920 4.544 13.482 88 1HB GLU 12 2HB GLU 12 15.715 4.520 10.986 89 2HB GLU 12 3HB GLU 12 14.250 5.493 11.117 90 1HG GLU 12 2HG GLU 12 15.641 7.297 12.238 91 2HG GLU 12 3HG GLU 12 17.076 6.324 11.900 92 H ARG 13 H ARG 13 12.405 5.100 13.011 93 HA ARG 13 HA ARG 13 12.311 7.675 14.365 94 1HB ARG 13 2HB ARG 13 10.107 5.641 13.834 95 2HB ARG 13 3HB ARG 13 9.869 7.301 14.360 96 1HG ARG 13 2HG ARG 13 11.048 6.402 11.700 97 2HG ARG 13 3HG ARG 13 9.470 7.130 11.991 98 1HD ARG 13 2HD ARG 13 10.547 9.250 12.697 99 2HD ARG 13 3HD ARG 13 12.136 8.528 12.429 100 HE ARG 13 HE ARG 13 11.930 8.755 10.155 101 1HH1 ARG 13 1HH1 ARG 13 8.777 9.479 11.512 102 2HH1 ARG 13 2HH1 ARG 13 8.177 10.104 10.000 103 1HH2 ARG 13 1HH2 ARG 13 11.099 9.553 8.272 104 2HH2 ARG 13 2HH2 ARG 13 9.462 10.139 8.215 105 H CYS 14 H CYS 14 11.615 4.381 15.440 106 HA CYS 14 HA CYS 14 11.076 5.065 18.203 107 1HB CYS 14 2HB CYS 14 10.363 2.986 16.918 108 2HB CYS 14 3HB CYS 14 12.028 2.400 17.057 109 HG CYS 14 HG CYS 14 10.450 1.251 18.872 110 H ALA 15 H ALA 15 13.998 4.034 16.436 111 HA ALA 15 HA ALA 15 15.774 3.727 18.625 112 1HB ALA 15 1HB ALA 15 17.536 3.984 16.908 113 2HB ALA 15 2HB ALA 15 16.239 2.925 16.329 114 3HB ALA 15 3HB ALA 15 16.348 4.602 15.757 115 H ASP 16 H ASP 16 15.010 6.692 16.686 116 HA ASP 16 HA ASP 16 16.971 8.359 17.877 117 1HB ASP 16 2HB ASP 16 15.567 8.794 15.811 118 2HB ASP 16 3HB ASP 16 14.242 9.248 16.884 119 H ALA 17 H ALA 17 13.725 7.498 19.034 120 HA ALA 17 HA ALA 17 13.631 9.376 21.221 121 1HB ALA 17 1HB ALA 17 12.187 6.709 20.894 122 2HB ALA 17 2HB ALA 17 11.745 8.033 21.986 123 3HB ALA 17 3HB ALA 17 11.637 8.265 20.231 124 H LEU 18 H LEU 18 15.046 6.112 20.883 125 HA LEU 18 HA LEU 18 15.658 5.755 23.702 126 1HB LEU 18 2HB LEU 18 15.149 3.840 22.470 127 2HB LEU 18 3HB LEU 18 16.056 4.343 21.063 128 HG LEU 18 HG LEU 18 18.140 3.909 22.141 129 1HD1 LEU 18 1HD1 LEU 18 16.519 2.761 24.473 130 2HD1 LEU 18 2HD1 LEU 18 18.276 2.618 24.262 131 3HD1 LEU 18 3HD1 LEU 18 17.558 4.200 24.555 132 1HD2 LEU 18 1HD2 LEU 18 16.130 1.613 22.246 133 2HD2 LEU 18 2HD2 LEU 18 17.070 2.143 20.834 134 3HD2 LEU 18 3HD2 LEU 18 17.886 1.403 22.221 135 H LYS 19 H LYS 19 17.490 6.756 20.724 136 HA LYS 19 HA LYS 19 20.055 6.915 21.619 137 1HB LYS 19 2HB LYS 19 18.904 7.205 19.318 138 2HB LYS 19 3HB LYS 19 18.593 8.881 19.805 139 1HG LYS 19 2HG LYS 19 21.134 8.884 20.300 140 2HG LYS 19 3HG LYS 19 21.186 7.455 19.262 141 1HD LYS 19 2HD LYS 19 20.072 10.204 18.502 142 2HD LYS 19 3HD LYS 19 21.666 9.609 18.026 143 1HE LYS 19 2HE LYS 19 20.766 7.937 16.599 144 2HE LYS 19 3HE LYS 19 19.148 8.068 17.293 145 1HZ LYS 19 1HZ LYS 19 20.367 10.360 15.878 146 2HZ LYS 19 2HZ LYS 19 19.516 9.224 15.078 147 3HZ LYS 19 3HZ LYS 19 18.786 10.126 16.248 148 H THR 20 H THR 20 17.491 9.386 22.120 149 HA THR 20 HA THR 20 19.312 11.366 23.209 150 HB THR 20 HB THR 20 17.231 12.564 23.883 151 HG1 THR 20 1HG THR 20 15.276 11.697 23.182 152 1HG2 THR 20 1HG2 THR 20 16.450 13.038 21.611 153 2HG2 THR 20 2HG2 THR 20 18.216 12.908 21.644 154 3HG2 THR 20 3HG2 THR 20 17.242 11.570 21.000 155 H LEU 21 H LEU 21 17.929 8.551 24.711 156 HA LEU 21 HA LEU 21 17.702 9.601 27.378 157 1HB LEU 21 2HB LEU 21 18.185 6.756 26.401 158 2HB LEU 21 3HB LEU 21 17.691 7.210 28.019 159 HG LEU 21 HG LEU 21 16.031 7.610 25.496 160 1HD1 LEU 21 1HD1 LEU 21 16.250 5.254 26.222 161 2HD1 LEU 21 2HD1 LEU 21 15.673 5.701 27.841 162 3HD1 LEU 21 3HD1 LEU 21 14.600 5.862 26.430 163 1HD2 LEU 21 1HD2 LEU 21 15.479 9.363 27.115 164 2HD2 LEU 21 2HD2 LEU 21 14.185 8.166 27.062 165 3HD2 LEU 21 3HD2 LEU 21 15.339 8.154 28.415 166 HA PRO 22 HA PRO 22 21.931 9.939 28.649 167 1HB PRO 22 2HB PRO 22 21.193 8.402 31.136 168 2HB PRO 22 3HB PRO 22 22.066 9.955 30.986 169 1HG PRO 22 2HG PRO 22 19.450 9.901 31.711 170 2HG PRO 22 3HG PRO 22 20.047 11.138 30.558 171 1HD PRO 22 2HD PRO 22 18.567 8.570 29.957 172 2HD PRO 22 3HD PRO 22 18.337 10.209 29.273 173 H ASP 23 H ASP 23 23.793 8.792 28.270 174 HA ASP 23 HA ASP 23 23.775 6.155 27.257 175 1HB ASP 23 2HB ASP 23 25.508 7.902 26.863 176 2HB ASP 23 3HB ASP 23 26.080 7.703 28.513 177 H GLU 24 H GLU 24 24.568 7.307 30.518 178 HA GLU 24 HA GLU 24 25.320 4.768 31.654 179 1HB GLU 24 2HB GLU 24 24.238 7.292 32.979 180 2HB GLU 24 3HB GLU 24 24.937 5.909 33.833 181 1HG GLU 24 2HG GLU 24 27.082 6.242 32.600 182 2HG GLU 24 3HG GLU 24 26.402 7.674 31.822 183 H GLU 25 H GLU 25 22.133 6.364 31.334 184 HA GLU 25 HA GLU 25 20.724 4.462 33.023 185 1HB GLU 25 2HB GLU 25 19.930 6.772 32.552 186 2HB GLU 25 3HB GLU 25 19.629 6.320 30.867 187 1HG GLU 25 2HG GLU 25 17.967 4.663 31.567 188 2HG GLU 25 3HG GLU 25 18.362 4.931 33.267 189 H VAL 26 H VAL 26 21.228 4.790 29.490 190 HA VAL 26 HA VAL 26 19.743 2.452 28.695 191 HB VAL 26 HB VAL 26 22.042 3.969 27.397 192 1HG1 VAL 26 1HG1 VAL 26 22.071 1.700 26.454 193 2HG1 VAL 26 2HG1 VAL 26 20.317 1.779 26.169 194 3HG1 VAL 26 3HG1 VAL 26 21.420 2.850 25.284 195 1HG2 VAL 26 1HG2 VAL 26 19.045 3.872 26.808 196 2HG2 VAL 26 2HG2 VAL 26 19.892 5.206 27.612 197 3HG2 VAL 26 3HG2 VAL 26 20.251 4.831 25.924 198 H ASP 27 H ASP 27 23.235 2.902 29.471 199 HA ASP 27 HA ASP 27 24.021 0.189 29.118 200 1HB ASP 27 2HB ASP 27 25.577 2.089 29.271 201 2HB ASP 27 3HB ASP 27 25.140 2.331 30.965 202 H SER 28 H SER 28 22.637 1.838 31.999 203 HA SER 28 HA SER 28 23.007 -0.272 33.869 204 1HB SER 28 2HB SER 28 22.343 2.068 34.418 205 2HB SER 28 3HB SER 28 20.727 1.740 33.761 206 HG SER 28 HG SER 28 20.866 1.455 36.055 207 H ILE 29 H ILE 29 20.272 0.317 31.583 208 HA ILE 29 HA ILE 29 18.739 -1.956 32.446 209 HB ILE 29 HB ILE 29 18.698 -0.495 29.774 210 1HG1 ILE 29 2HG1 ILE 29 16.830 -0.128 32.163 211 2HG1 ILE 29 3HG1 ILE 29 18.204 0.917 31.863 212 1HG2 ILE 29 1HG2 ILE 29 16.377 -1.476 29.599 213 2HG2 ILE 29 2HG2 ILE 29 17.625 -2.712 29.598 214 3HG2 ILE 29 3HG2 ILE 29 16.688 -2.404 31.075 215 1HD1 ILE 29 1HD1 ILE 29 16.271 2.024 31.009 216 2HD1 ILE 29 2HD1 ILE 29 17.269 1.530 29.629 217 3HD1 ILE 29 3HD1 ILE 29 15.794 0.622 30.042 218 H LEU 30 H LEU 30 21.082 -1.467 29.755 219 HA LEU 30 HA LEU 30 20.934 -4.122 28.706 220 1HB LEU 30 2HB LEU 30 23.179 -2.069 28.658 221 2HB LEU 30 3HB LEU 30 23.193 -3.561 27.724 222 HG LEU 30 HG LEU 30 21.067 -1.392 27.425 223 1HD1 LEU 30 1HD1 LEU 30 23.273 -0.585 26.717 224 2HD1 LEU 30 2HD1 LEU 30 23.502 -2.032 25.715 225 3HD1 LEU 30 3HD1 LEU 30 22.228 -0.854 25.315 226 1HD2 LEU 30 1HD2 LEU 30 20.216 -3.566 26.736 227 2HD2 LEU 30 2HD2 LEU 30 20.528 -2.571 25.322 228 3HD2 LEU 30 3HD2 LEU 30 21.673 -3.857 25.754 229 H ALA 31 H ALA 31 22.852 -2.862 31.423 230 HA ALA 31 HA ALA 31 24.497 -5.177 31.772 231 1HB ALA 31 1HB ALA 31 24.992 -4.171 33.960 232 2HB ALA 31 2HB ALA 31 25.020 -2.943 32.683 233 3HB ALA 31 3HB ALA 31 23.623 -3.057 33.779 234 H GLU 32 H GLU 32 21.117 -4.879 32.347 235 HA GLU 32 HA GLU 32 21.151 -7.277 34.161 236 1HB GLU 32 2HB GLU 32 19.174 -4.968 34.111 237 2HB GLU 32 3HB GLU 32 19.004 -6.452 35.059 238 1HG GLU 32 2HG GLU 32 21.230 -5.918 36.155 239 2HG GLU 32 3HG GLU 32 21.164 -4.333 35.381 240 H ASP 33 H ASP 33 19.890 -6.001 31.143 241 HA ASP 33 HA ASP 33 18.343 -8.544 30.755 242 1HB ASP 33 2HB ASP 33 17.585 -5.667 30.154 243 2HB ASP 33 3HB ASP 33 16.823 -7.022 29.347 244 H GLY 34 H GLY 34 20.820 -6.530 29.385 245 1HA GLY 34 2HA GLY 34 22.093 -6.803 27.503 246 2HA GLY 34 3HA GLY 34 21.245 -8.314 27.183 247 H GLU 35 H GLU 35 18.733 -6.297 27.227 248 HA GLU 35 HA GLU 35 18.959 -4.861 24.720 249 1HB GLU 35 2HB GLU 35 17.165 -6.093 23.567 250 2HB GLU 35 3HB GLU 35 18.575 -7.109 23.834 251 1HG GLU 35 2HG GLU 35 17.439 -8.190 25.768 252 2HG GLU 35 3HG GLU 35 16.033 -7.149 25.523 253 H ILE 36 H ILE 36 16.901 -3.785 24.165 254 HA ILE 36 HA ILE 36 15.239 -3.098 26.552 255 HB ILE 36 HB ILE 36 16.435 -1.221 24.469 256 1HG1 ILE 36 2HG1 ILE 36 17.147 -1.636 27.407 257 2HG1 ILE 36 3HG1 ILE 36 18.151 -2.071 26.029 258 1HG2 ILE 36 1HG2 ILE 36 14.789 -0.588 26.967 259 2HG2 ILE 36 2HG2 ILE 36 15.503 0.600 25.854 260 3HG2 ILE 36 3HG2 ILE 36 14.218 -0.444 25.287 261 1HD1 ILE 36 1HD1 ILE 36 17.494 0.732 26.925 262 2HD1 ILE 36 2HD1 ILE 36 19.053 -0.109 26.918 263 3HD1 ILE 36 3HD1 ILE 36 18.276 0.315 25.374 264 H ASP 37 H ASP 37 13.148 -2.911 26.232 265 HA ASP 37 HA ASP 37 11.939 -3.394 23.550 266 1HB ASP 37 2HB ASP 37 11.376 -5.023 25.271 267 2HB ASP 37 3HB ASP 37 10.911 -3.743 26.392 268 H MET 38 H MET 38 11.969 -1.393 22.655 269 HA MET 38 HA MET 38 10.923 0.945 24.166 270 1HB MET 38 2HB MET 38 13.225 0.969 23.107 271 2HB MET 38 3HB MET 38 12.440 0.873 21.535 272 1HG MET 38 2HG MET 38 13.077 3.174 22.115 273 2HG MET 38 3HG MET 38 11.353 3.020 21.885 274 1HE MET 38 1HE MET 38 14.238 3.421 24.560 275 2HE MET 38 2HE MET 38 13.316 3.545 26.072 276 3HE MET 38 3HE MET 38 13.378 1.999 25.204 277 H HIS 39 H HIS 39 9.426 2.399 23.185 278 HA HIS 39 HA HIS 39 7.619 1.133 21.159 279 1HB HIS 39 2HB HIS 39 6.996 2.859 23.574 280 2HB HIS 39 3HB HIS 39 5.844 2.529 22.285 281 HD1 HIS 39 HD1 HIS 39 4.560 0.268 22.384 282 HD2 HIS 39 HD2 HIS 39 7.800 0.593 25.055 283 HE1 HIS 39 HE1 HIS 39 4.430 -1.771 23.927 284 H CYS 40 H CYS 40 6.967 2.234 19.480 285 HA CYS 40 HA CYS 40 8.307 4.357 18.289 286 1HB CYS 40 2HB CYS 40 6.933 2.673 17.160 287 2HB CYS 40 3HB CYS 40 5.483 3.261 17.972 288 H ASP 41 H ASP 41 8.466 6.435 18.983 289 HA ASP 41 HA ASP 41 6.738 7.656 20.895 290 1HB ASP 41 2HB ASP 41 9.134 8.220 20.437 291 2HB ASP 41 3HB ASP 41 8.639 8.985 18.925 292 H TYR 42 H TYR 42 6.223 7.167 17.576 293 HA TYR 42 HA TYR 42 4.384 9.450 17.168 294 1HB TYR 42 2HB TYR 42 5.556 7.321 15.338 295 2HB TYR 42 3HB TYR 42 4.477 8.586 14.832 296 HD1 TYR 42 HD1 TYR 42 7.935 7.760 15.892 297 HD2 TYR 42 HD2 TYR 42 5.245 10.948 14.743 298 HE1 TYR 42 HE1 TYR 42 9.861 9.317 15.671 299 HE2 TYR 42 HE2 TYR 42 7.194 12.480 14.461 300 HH TYR 42 HH TYR 42 10.556 11.433 15.132 301 H CYS 43 H CYS 43 4.359 5.878 17.201 302 HA CYS 43 HA CYS 43 1.364 5.887 17.030 303 1HB CYS 43 2HB CYS 43 3.211 3.754 15.918 304 2HB CYS 43 3HB CYS 43 1.491 3.983 15.598 305 H GLY 44 H GLY 44 3.941 4.783 19.046 306 1HA GLY 44 2HA GLY 44 3.783 3.696 21.073 307 2HA GLY 44 3HA GLY 44 2.094 3.307 20.763 308 H ASN 45 H ASN 45 3.582 2.120 18.057 309 HA ASN 45 HA ASN 45 3.370 -0.618 18.833 310 1HB ASN 45 2HB ASN 45 3.100 0.286 16.512 311 2HB ASN 45 3HB ASN 45 4.834 0.629 16.461 312 1HD2 ASN 45 2HD2 ASN 45 2.554 -2.118 17.104 313 2HD2 ASN 45 1HD2 ASN 45 3.583 -3.299 16.312 314 H HIS 46 H HIS 46 4.948 -2.226 19.297 315 HA HIS 46 HA HIS 46 7.326 -1.218 20.664 316 1HB HIS 46 2HB HIS 46 7.558 -3.609 21.332 317 2HB HIS 46 3HB HIS 46 6.036 -2.858 21.779 318 HD1 HIS 46 HD1 HIS 46 3.882 -4.161 21.057 319 HD2 HIS 46 HD2 HIS 46 7.398 -5.316 19.048 320 HE1 HIS 46 HE1 HIS 46 3.260 -6.180 19.632 321 H TYR 47 H TYR 47 9.466 -1.884 20.380 322 HA TYR 47 HA TYR 47 10.360 -3.338 17.987 323 1HB TYR 47 2HB TYR 47 10.997 -0.428 18.617 324 2HB TYR 47 3HB TYR 47 12.052 -1.429 17.649 325 HD1 TYR 47 HD1 TYR 47 9.104 0.694 17.569 326 HD2 TYR 47 HD2 TYR 47 11.222 -2.433 15.478 327 HE1 TYR 47 HE1 TYR 47 8.078 1.427 15.420 328 HE2 TYR 47 HE2 TYR 47 10.161 -1.721 13.342 329 HH TYR 47 HH TYR 47 8.743 -0.240 12.323 330 H LEU 48 H LEU 48 12.379 -4.292 18.402 331 HA LEU 48 HA LEU 48 13.349 -4.006 21.205 332 1HB LEU 48 2HB LEU 48 13.735 -6.297 19.237 333 2HB LEU 48 3HB LEU 48 14.304 -6.259 20.903 334 HG LEU 48 HG LEU 48 11.385 -6.284 20.011 335 1HD1 LEU 48 1HD1 LEU 48 13.084 -8.396 21.395 336 2HD1 LEU 48 2HD1 LEU 48 11.360 -8.533 20.982 337 3HD1 LEU 48 3HD1 LEU 48 12.570 -8.424 19.692 338 1HD2 LEU 48 1HD2 LEU 48 10.892 -6.660 22.430 339 2HD2 LEU 48 2HD2 LEU 48 12.594 -6.304 22.811 340 3HD2 LEU 48 3HD2 LEU 48 11.540 -5.055 22.102 341 H PHE 49 H PHE 49 15.439 -3.576 21.662 342 HA PHE 49 HA PHE 49 17.481 -3.208 19.479 343 1HB PHE 49 2HB PHE 49 16.754 -1.250 21.706 344 2HB PHE 49 3HB PHE 49 18.118 -1.101 20.612 345 HD1 PHE 49 HD1 PHE 49 14.470 -0.711 20.939 346 HD2 PHE 49 HD2 PHE 49 17.832 -0.524 18.252 347 HE1 PHE 49 HE1 PHE 49 13.090 0.529 19.286 348 HE2 PHE 49 HE2 PHE 49 16.435 0.660 16.580 349 HZ PHE 49 HZ PHE 49 14.063 1.201 17.097 350 H ASN 50 H ASN 50 19.248 -4.342 19.942 351 HA ASN 50 HA ASN 50 19.830 -5.090 22.773 352 1HB ASN 50 2HB ASN 50 21.281 -6.818 21.848 353 2HB ASN 50 3HB ASN 50 19.647 -6.959 21.265 354 1HD2 ASN 50 2HD2 ASN 50 19.503 -7.318 19.034 355 2HD2 ASN 50 1HD2 ASN 50 20.764 -6.853 17.901 356 H ALA 51 H ALA 51 22.184 -5.294 23.268 357 HA ALA 51 HA ALA 51 23.297 -2.720 23.465 358 1HB ALA 51 1HB ALA 51 24.708 -5.419 23.664 359 2HB ALA 51 2HB ALA 51 25.298 -3.881 24.329 360 3HB ALA 51 3HB ALA 51 23.815 -4.611 24.972 361 H MET 52 H MET 52 24.091 -5.214 21.004 362 HA MET 52 HA MET 52 26.272 -3.694 19.838 363 1HB MET 52 2HB MET 52 24.631 -5.960 18.630 364 2HB MET 52 3HB MET 52 26.152 -5.331 18.014 365 1HG MET 52 2HG MET 52 25.702 -6.777 20.645 366 2HG MET 52 3HG MET 52 26.535 -7.394 19.231 367 1HE MET 52 1HE MET 52 28.930 -6.636 18.429 368 2HE MET 52 2HE MET 52 28.458 -4.920 18.363 369 3HE MET 52 3HE MET 52 29.919 -5.406 19.246 370 H ASP 53 H ASP 53 22.749 -3.916 19.097 371 HA ASP 53 HA ASP 53 22.956 -2.372 16.657 372 1HB ASP 53 2HB ASP 53 21.150 -4.004 17.402 373 2HB ASP 53 3HB ASP 53 20.534 -2.741 18.461 374 H ILE 54 H ILE 54 22.184 -1.581 20.054 375 HA ILE 54 HA ILE 54 21.650 1.212 19.745 376 HB ILE 54 HB ILE 54 22.608 -0.530 22.044 377 1HG1 ILE 54 2HG1 ILE 54 19.956 0.895 21.535 378 2HG1 ILE 54 3HG1 ILE 54 20.271 -0.762 21.046 379 1HG2 ILE 54 1HG2 ILE 54 22.118 1.343 23.577 380 2HG2 ILE 54 2HG2 ILE 54 23.452 1.735 22.513 381 3HG2 ILE 54 3HG2 ILE 54 21.840 2.419 22.186 382 1HD1 ILE 54 1HD1 ILE 54 19.041 -0.821 23.106 383 2HD1 ILE 54 2HD1 ILE 54 20.689 -1.404 23.400 384 3HD1 ILE 54 3HD1 ILE 54 20.211 0.234 23.913 385 H ALA 55 H ALA 55 24.696 -0.617 20.120 386 HA ALA 55 HA ALA 55 26.397 1.649 20.529 387 1HB ALA 55 1HB ALA 55 28.220 0.137 19.890 388 2HB ALA 55 2HB ALA 55 27.091 -0.673 20.991 389 3HB ALA 55 3HB ALA 55 27.059 -1.039 19.251 390 H GLU 56 H GLU 56 25.228 0.116 17.495 391 HA GLU 56 HA GLU 56 26.777 1.901 15.767 392 1HB GLU 56 2HB GLU 56 24.396 0.078 15.211 393 2HB GLU 56 3HB GLU 56 25.247 1.028 13.986 394 1HG GLU 56 2HG GLU 56 27.382 -0.129 14.606 395 2HG GLU 56 3HG GLU 56 26.481 -1.154 15.723 396 H ILE 57 H ILE 57 23.382 1.852 16.947 397 HA ILE 57 HA ILE 57 22.423 4.109 15.505 398 HB ILE 57 HB ILE 57 21.663 2.836 18.146 399 1HG1 ILE 57 2HG1 ILE 57 20.095 2.963 15.537 400 2HG1 ILE 57 3HG1 ILE 57 21.296 1.715 15.831 401 1HG2 ILE 57 1HG2 ILE 57 19.557 4.156 18.144 402 2HG2 ILE 57 2HG2 ILE 57 20.953 5.177 18.381 403 3HG2 ILE 57 3HG2 ILE 57 20.170 5.122 16.783 404 1HD1 ILE 57 1HD1 ILE 57 19.079 0.873 16.341 405 2HD1 ILE 57 2HD1 ILE 57 20.062 0.926 17.817 406 3HD1 ILE 57 3HD1 ILE 57 18.808 2.148 17.534 407 H ARG 58 H ARG 58 24.140 4.009 18.644 408 HA ARG 58 HA ARG 58 23.906 6.906 18.995 409 1HB ARG 58 2HB ARG 58 23.993 4.927 20.757 410 2HB ARG 58 3HB ARG 58 25.737 5.191 20.678 411 1HG ARG 58 2HG ARG 58 25.385 7.583 21.289 412 2HG ARG 58 3HG ARG 58 23.630 7.338 21.247 413 1HD ARG 58 2HD ARG 58 23.861 5.662 23.096 414 2HD ARG 58 3HD ARG 58 25.584 6.035 23.180 415 HE ARG 58 HE ARG 58 25.039 8.333 23.811 416 1HH1 ARG 58 1HH1 ARG 58 22.315 6.118 24.208 417 2HH1 ARG 58 2HH1 ARG 58 21.481 7.285 25.228 418 1HH2 ARG 58 2HH2 ARG 58 23.808 9.708 25.083 419 2HH2 ARG 58 1HH2 ARG 58 22.262 9.127 25.679 420 H ASN 59 H ASN 59 26.176 4.961 17.335 421 HA ASN 59 HA ASN 59 28.176 7.195 17.334 422 1HB ASN 59 2HB ASN 59 28.563 4.208 16.935 423 2HB ASN 59 3HB ASN 59 29.806 5.404 16.594 424 1HD2 ASN 59 2HD2 ASN 59 28.201 3.661 19.124 425 2HD2 ASN 59 1HD2 ASN 59 29.152 4.357 20.444 426 H ASN 60 H ASN 60 25.835 5.942 15.374 427 HA ASN 60 HA ASN 60 27.016 7.296 12.987 428 1HB ASN 60 2HB ASN 60 27.130 4.746 12.896 429 2HB ASN 60 3HB ASN 60 25.365 4.739 12.863 430 1HD2 ASN 60 2HD2 ASN 60 28.203 6.185 11.151 431 2HD2 ASN 60 1HD2 ASN 60 27.440 6.106 9.568 432 H ALA 61 H ALA 61 24.560 7.376 15.205 433 HA ALA 61 HA ALA 61 22.650 8.441 15.460 434 1HB ALA 61 1HB ALA 61 23.483 10.086 13.051 435 2HB ALA 61 2HB ALA 61 22.347 10.564 14.324 436 3HB ALA 61 3HB ALA 61 24.056 10.317 14.719 437 H SER 62 H SER 62 22.716 6.211 13.171 438 HA SER 62 HA SER 62 19.807 6.181 12.751 439 1HB SER 62 2HB SER 62 21.783 6.443 10.444 440 2HB SER 62 3HB SER 62 20.133 5.817 10.253 441 HG SER 62 HG SER 62 20.411 8.207 11.674 Start of MODEL 3 1 1H MET 1 H1 MET 1 -14.428 -20.410 16.575 2 2H MET 1 H2 MET 1 -15.356 -21.465 15.726 3 3H MET 1 H3 MET 1 -13.838 -21.878 16.171 4 HA MET 1 HA MET 1 -13.874 -21.337 13.832 5 1HB MET 1 2HB MET 1 -14.823 -18.605 14.812 6 2HB MET 1 3HB MET 1 -14.235 -18.951 13.182 7 1HG MET 1 2HG MET 1 -16.048 -20.629 12.887 8 2HG MET 1 3HG MET 1 -16.689 -20.193 14.477 9 1HE MET 1 1HE MET 1 -18.458 -20.253 11.881 10 2HE MET 1 2HE MET 1 -19.081 -19.764 13.474 11 3HE MET 1 3HE MET 1 -19.382 -18.744 12.050 12 H ASP 2 H ASP 2 -11.974 -20.535 12.852 13 HA ASP 2 HA ASP 2 -10.022 -18.999 14.447 14 1HB ASP 2 2HB ASP 2 -9.745 -21.375 15.164 15 2HB ASP 2 3HB ASP 2 -9.522 -21.850 13.482 16 H VAL 3 H VAL 3 -8.224 -18.243 13.178 17 HA VAL 3 HA VAL 3 -8.135 -18.718 10.290 18 HB VAL 3 HB VAL 3 -9.894 -16.988 10.540 19 1HG1 VAL 3 1HG1 VAL 3 -9.058 -15.793 12.542 20 2HG1 VAL 3 2HG1 VAL 3 -7.706 -15.147 11.585 21 3HG1 VAL 3 3HG1 VAL 3 -9.375 -14.705 11.184 22 1HG2 VAL 3 1HG2 VAL 3 -9.128 -15.497 8.834 23 2HG2 VAL 3 2HG2 VAL 3 -7.429 -15.848 9.182 24 3HG2 VAL 3 3HG2 VAL 3 -8.484 -17.110 8.497 25 H GLU 4 H GLU 4 -6.207 -17.981 9.309 26 HA GLU 4 HA GLU 4 -4.064 -16.778 10.956 27 1HB GLU 4 2HB GLU 4 -3.972 -19.242 11.387 28 2HB GLU 4 3HB GLU 4 -3.854 -19.526 9.650 29 1HG GLU 4 2HG GLU 4 -1.690 -18.180 9.670 30 2HG GLU 4 3HG GLU 4 -1.828 -18.096 11.425 31 H PHE 5 H PHE 5 -2.630 -15.630 9.712 32 HA PHE 5 HA PHE 5 -3.274 -14.862 7.053 33 1HB PHE 5 2HB PHE 5 -0.663 -14.533 8.584 34 2HB PHE 5 3HB PHE 5 -1.162 -13.598 7.182 35 HD1 PHE 5 HD1 PHE 5 -3.326 -12.182 7.354 36 HD2 PHE 5 HD2 PHE 5 -1.258 -13.797 10.781 37 HE1 PHE 5 HE1 PHE 5 -4.478 -10.545 8.826 38 HE2 PHE 5 HE2 PHE 5 -2.419 -12.163 12.248 39 HZ PHE 5 HZ PHE 5 -4.030 -10.536 11.273 40 H LYS 6 H LYS 6 -1.825 -14.913 5.175 41 HA LYS 6 HA LYS 6 -0.148 -17.344 4.888 42 1HB LYS 6 2HB LYS 6 -2.798 -17.098 3.876 43 2HB LYS 6 3HB LYS 6 -1.795 -16.813 2.487 44 1HG LYS 6 2HG LYS 6 -2.375 -19.169 2.620 45 2HG LYS 6 3HG LYS 6 -0.636 -18.964 2.808 46 1HD LYS 6 2HD LYS 6 -1.507 -20.682 4.335 47 2HD LYS 6 3HD LYS 6 -0.805 -19.342 5.226 48 1HE LYS 6 2HE LYS 6 -3.273 -18.423 5.320 49 2HE LYS 6 3HE LYS 6 -3.734 -20.069 4.871 50 1HZ LYS 6 1HZ LYS 6 -3.678 -19.743 7.276 51 2HZ LYS 6 2HZ LYS 6 -2.502 -20.819 6.882 52 3HZ LYS 6 3HZ LYS 6 -2.120 -19.259 7.228 53 H CYS 7 H CYS 7 0.228 -14.435 4.981 54 HA CYS 7 HA CYS 7 2.405 -14.305 3.009 55 1HB CYS 7 2HB CYS 7 0.472 -13.357 1.830 56 2HB CYS 7 3HB CYS 7 0.227 -12.174 3.134 57 H THR 8 H THR 8 4.177 -13.434 3.876 58 HA THR 8 HA THR 8 4.187 -12.489 6.649 59 HB THR 8 HB THR 8 6.440 -12.973 4.656 60 HG1 THR 8 1HG THR 8 6.604 -14.956 5.655 61 1HG2 THR 8 1HG2 THR 8 6.465 -12.704 7.684 62 2HG2 THR 8 2HG2 THR 8 7.828 -13.298 6.700 63 3HG2 THR 8 3HG2 THR 8 7.264 -11.637 6.502 64 H CYS 9 H CYS 9 4.582 -11.080 3.404 65 HA CYS 9 HA CYS 9 5.473 -8.505 4.546 66 1HB CYS 9 2HB CYS 9 6.235 -7.997 2.332 67 2HB CYS 9 3HB CYS 9 6.898 -9.531 2.891 68 H SER 10 H SER 10 4.101 -7.986 1.565 69 HA SER 10 HA SER 10 1.345 -7.411 2.363 70 1HB SER 10 2HB SER 10 2.632 -5.545 3.426 71 2HB SER 10 3HB SER 10 3.304 -5.123 1.845 72 HG SER 10 HG SER 10 1.428 -3.877 2.534 73 H ARG 11 H ARG 11 0.164 -6.283 0.683 74 HA ARG 11 HA ARG 11 0.353 -7.330 -1.967 75 1HB ARG 11 2HB ARG 11 -1.642 -6.357 -0.766 76 2HB ARG 11 3HB ARG 11 -0.972 -4.752 -0.980 77 1HG ARG 11 2HG ARG 11 -1.150 -4.913 -3.413 78 2HG ARG 11 3HG ARG 11 -1.642 -6.610 -3.305 79 1HD ARG 11 2HD ARG 11 -3.674 -5.934 -2.044 80 2HD ARG 11 3HD ARG 11 -3.196 -4.243 -2.160 81 HE ARG 11 HE ARG 11 -4.291 -5.966 -4.302 82 1HH1 ARG 11 1HH1 ARG 11 -2.886 -2.762 -3.668 83 2HH1 ARG 11 2HH1 ARG 11 -3.505 -2.197 -5.225 84 1HH2 ARG 11 1HH2 ARG 11 -4.932 -5.023 -6.242 85 2HH2 ARG 11 2HH2 ARG 11 -4.535 -3.317 -6.479 86 H GLU 12 H GLU 12 1.678 -4.494 -0.490 87 HA GLU 12 HA GLU 12 2.407 -2.899 -2.709 88 1HB GLU 12 2HB GLU 12 2.476 -2.331 -0.247 89 2HB GLU 12 3HB GLU 12 3.981 -3.249 -0.124 90 1HG GLU 12 2HG GLU 12 5.000 -1.713 -1.836 91 2HG GLU 12 3HG GLU 12 3.496 -0.787 -1.862 92 H ARG 13 H ARG 13 4.225 -5.689 -1.303 93 HA ARG 13 HA ARG 13 6.536 -5.304 -3.063 94 1HB ARG 13 2HB ARG 13 5.671 -7.794 -1.519 95 2HB ARG 13 3HB ARG 13 7.205 -7.550 -2.358 96 1HG ARG 13 2HG ARG 13 7.487 -5.443 -0.832 97 2HG ARG 13 3HG ARG 13 6.186 -6.155 0.133 98 1HD ARG 13 2HD ARG 13 8.208 -6.894 1.148 99 2HD ARG 13 3HD ARG 13 7.594 -8.282 0.257 100 HE ARG 13 HE ARG 13 9.347 -8.136 -1.276 101 1HH1 ARG 13 1HH2 ARG 13 9.672 -5.489 1.003 102 2HH1 ARG 13 2HH2 ARG 13 11.261 -5.073 0.424 103 1HH2 ARG 13 2HH1 ARG 13 11.310 -7.453 -2.058 104 2HH2 ARG 13 1HH1 ARG 13 12.175 -6.186 -1.232 105 H CYS 14 H CYS 14 3.584 -7.256 -3.241 106 HA CYS 14 HA CYS 14 4.241 -8.605 -5.711 107 1HB CYS 14 2HB CYS 14 2.488 -9.235 -3.966 108 2HB CYS 14 3HB CYS 14 1.464 -7.948 -4.634 109 HG CYS 14 HG CYS 14 0.690 -10.297 -5.623 110 H ALA 15 H ALA 15 2.558 -5.567 -4.956 111 HA ALA 15 HA ALA 15 1.707 -4.812 -7.563 112 1HB ALA 15 1HB ALA 15 1.550 -2.568 -6.549 113 2HB ALA 15 2HB ALA 15 0.970 -3.783 -5.391 114 3HB ALA 15 3HB ALA 15 2.571 -3.062 -5.204 115 H ASP 16 H ASP 16 4.730 -4.019 -5.768 116 HA ASP 16 HA ASP 16 5.958 -2.469 -7.812 117 1HB ASP 16 2HB ASP 16 6.571 -2.616 -5.361 118 2HB ASP 16 3HB ASP 16 7.343 -4.167 -5.701 119 H ALA 17 H ALA 17 6.000 -5.997 -7.223 120 HA ALA 17 HA ALA 17 7.916 -6.629 -9.268 121 1HB ALA 17 1HB ALA 17 7.139 -8.939 -8.921 122 2HB ALA 17 2HB ALA 17 7.362 -8.125 -7.361 123 3HB ALA 17 3HB ALA 17 5.727 -8.358 -8.020 124 H LEU 18 H LEU 18 4.352 -6.142 -9.435 125 HA LEU 18 HA LEU 18 4.113 -7.203 -12.120 126 1HB LEU 18 2HB LEU 18 2.250 -7.394 -10.662 127 2HB LEU 18 3HB LEU 18 2.396 -5.734 -10.098 128 HG LEU 18 HG LEU 18 1.687 -4.875 -12.214 129 1HD1 LEU 18 1HD1 LEU 18 1.193 -7.786 -13.022 130 2HD1 LEU 18 2HD1 LEU 18 0.635 -6.362 -13.932 131 3HD1 LEU 18 3HD1 LEU 18 2.357 -6.688 -13.785 132 1HD2 LEU 18 1HD2 LEU 18 -0.216 -6.972 -11.107 133 2HD2 LEU 18 2HD2 LEU 18 0.012 -5.321 -10.486 134 3HD2 LEU 18 3HD2 LEU 18 -0.685 -5.574 -12.096 135 H LYS 19 H LYS 19 4.324 -3.848 -10.671 136 HA LYS 19 HA LYS 19 3.815 -2.463 -13.024 137 1HB LYS 19 2HB LYS 19 4.093 -0.668 -11.726 138 2HB LYS 19 3HB LYS 19 4.097 -1.826 -10.426 139 1HG LYS 19 2HG LYS 19 6.634 -1.853 -10.551 140 2HG LYS 19 3HG LYS 19 6.521 -0.555 -11.740 141 1HD LYS 19 2HD LYS 19 5.326 0.847 -10.003 142 2HD LYS 19 3HD LYS 19 5.630 -0.463 -8.837 143 1HE LYS 19 2HE LYS 19 8.131 -0.236 -9.668 144 2HE LYS 19 3HE LYS 19 7.609 1.340 -10.278 145 1HZ LYS 19 1HZ LYS 19 7.648 0.363 -7.486 146 2HZ LYS 19 2HZ LYS 19 8.451 1.644 -8.084 147 3HZ LYS 19 3HZ LYS 19 6.824 1.744 -7.899 148 H THR 20 H THR 20 6.891 -3.978 -12.162 149 HA THR 20 HA THR 20 8.453 -2.402 -14.050 150 HB THR 20 HB THR 20 10.229 -4.103 -13.595 151 HG1 THR 20 1HG THR 20 9.800 -5.603 -11.964 152 1HG2 THR 20 1HG2 THR 20 8.901 -2.950 -11.105 153 2HG2 THR 20 2HG2 THR 20 10.587 -3.486 -11.252 154 3HG2 THR 20 3HG2 THR 20 10.020 -2.089 -12.181 155 H LEU 21 H LEU 21 6.272 -5.006 -14.601 156 HA LEU 21 HA LEU 21 7.678 -6.305 -16.737 157 1HB LEU 21 2HB LEU 21 4.712 -6.148 -16.052 158 2HB LEU 21 3HB LEU 21 5.406 -7.240 -17.235 159 HG LEU 21 HG LEU 21 5.954 -7.279 -14.238 160 1HD1 LEU 21 1HD1 LEU 21 3.747 -8.156 -14.946 161 2HD1 LEU 21 2HD1 LEU 21 4.552 -9.267 -16.072 162 3HD1 LEU 21 3HD1 LEU 21 4.803 -9.433 -14.320 163 1HD2 LEU 21 1HD2 LEU 21 7.996 -8.001 -15.358 164 2HD2 LEU 21 2HD2 LEU 21 7.168 -9.411 -14.706 165 3HD2 LEU 21 3HD2 LEU 21 7.067 -9.062 -16.447 166 HA PRO 22 HA PRO 22 7.312 -3.746 -20.276 167 1HB PRO 22 2HB PRO 22 5.930 -6.051 -21.660 168 2HB PRO 22 3HB PRO 22 7.264 -5.014 -22.257 169 1HG PRO 22 2HG PRO 22 7.814 -7.468 -21.275 170 2HG PRO 22 3HG PRO 22 8.834 -6.076 -20.790 171 1HD PRO 22 2HD PRO 22 6.567 -7.366 -19.254 172 2HD PRO 22 3HD PRO 22 8.185 -6.861 -18.681 173 H ASP 23 H ASP 23 5.992 -2.162 -20.909 174 HA ASP 23 HA ASP 23 3.374 -1.828 -19.927 175 1HB ASP 23 2HB ASP 23 4.743 -0.466 -22.283 176 2HB ASP 23 3HB ASP 23 3.271 0.104 -21.495 177 H GLU 24 H GLU 24 4.373 -3.002 -23.161 178 HA GLU 24 HA GLU 24 1.751 -2.968 -24.322 179 1HB GLU 24 2HB GLU 24 3.889 -3.055 -25.581 180 2HB GLU 24 3HB GLU 24 4.146 -4.716 -25.026 181 1HG GLU 24 2HG GLU 24 2.110 -5.450 -26.204 182 2HG GLU 24 3HG GLU 24 1.730 -3.781 -26.641 183 H GLU 25 H GLU 25 3.491 -5.568 -22.525 184 HA GLU 25 HA GLU 25 1.416 -7.553 -22.955 185 1HB GLU 25 2HB GLU 25 3.571 -7.390 -20.803 186 2HB GLU 25 3HB GLU 25 2.500 -8.768 -21.092 187 1HG GLU 25 2HG GLU 25 3.379 -8.814 -23.491 188 2HG GLU 25 3HG GLU 25 4.622 -7.673 -22.976 189 H VAL 26 H VAL 26 2.093 -5.248 -20.300 190 HA VAL 26 HA VAL 26 -0.071 -6.036 -18.580 191 HB VAL 26 HB VAL 26 1.464 -3.431 -18.912 192 1HG1 VAL 26 1HG1 VAL 26 0.586 -2.755 -16.697 193 2HG1 VAL 26 2HG1 VAL 26 -0.685 -2.807 -17.917 194 3HG1 VAL 26 3HG1 VAL 26 -0.545 -4.122 -16.729 195 1HG2 VAL 26 1HG2 VAL 26 2.732 -5.399 -18.036 196 2HG2 VAL 26 2HG2 VAL 26 2.551 -4.133 -16.819 197 3HG2 VAL 26 3HG2 VAL 26 1.529 -5.585 -16.746 198 H ASP 27 H ASP 27 0.092 -3.492 -21.140 199 HA ASP 27 HA ASP 27 -2.615 -2.644 -20.878 200 1HB ASP 27 2HB ASP 27 -0.832 -1.372 -22.019 201 2HB ASP 27 3HB ASP 27 -0.791 -2.577 -23.310 202 H SER 28 H SER 28 -1.209 -5.223 -23.007 203 HA SER 28 HA SER 28 -3.587 -5.786 -24.453 204 1HB SER 28 2HB SER 28 -1.190 -7.497 -23.734 205 2HB SER 28 3HB SER 28 -2.546 -8.120 -24.692 206 HG SER 28 HG SER 28 -0.844 -7.230 -25.989 207 H ILE 29 H ILE 29 -2.509 -7.209 -21.295 208 HA ILE 29 HA ILE 29 -4.733 -9.020 -21.141 209 HB ILE 29 HB ILE 29 -3.052 -7.869 -18.882 210 1HG1 ILE 29 2HG1 ILE 29 -2.733 -10.577 -20.254 211 2HG1 ILE 29 3HG1 ILE 29 -1.794 -9.179 -20.725 212 1HG2 ILE 29 1HG2 ILE 29 -5.155 -8.845 -18.046 213 2HG2 ILE 29 2HG2 ILE 29 -4.912 -10.300 -19.032 214 3HG2 ILE 29 3HG2 ILE 29 -3.848 -9.952 -17.663 215 1HD1 ILE 29 1HD1 ILE 29 -0.454 -10.483 -19.229 216 2HD1 ILE 29 2HD1 ILE 29 -0.893 -8.974 -18.407 217 3HD1 ILE 29 3HD1 ILE 29 -1.714 -10.497 -17.988 218 H LEU 30 H LEU 30 -4.196 -5.729 -19.781 219 HA LEU 30 HA LEU 30 -6.724 -5.499 -18.465 220 1HB LEU 30 2HB LEU 30 -4.857 -3.405 -19.638 221 2HB LEU 30 3HB LEU 30 -6.254 -3.015 -18.639 222 HG LEU 30 HG LEU 30 -3.951 -4.768 -17.682 223 1HD1 LEU 30 1HD1 LEU 30 -3.170 -2.498 -18.187 224 2HD1 LEU 30 2HD1 LEU 30 -4.483 -1.809 -17.216 225 3HD1 LEU 30 3HD1 LEU 30 -3.201 -2.775 -16.443 226 1HD2 LEU 30 1HD2 LEU 30 -4.850 -4.233 -15.429 227 2HD2 LEU 30 2HD2 LEU 30 -6.247 -3.440 -16.197 228 3HD2 LEU 30 3HD2 LEU 30 -5.966 -5.184 -16.405 229 H ALA 31 H ALA 31 -5.819 -4.803 -21.848 230 HA ALA 31 HA ALA 31 -8.285 -3.577 -22.609 231 1HB ALA 31 1HB ALA 31 -7.428 -3.920 -24.896 232 2HB ALA 31 2HB ALA 31 -6.164 -3.297 -23.824 233 3HB ALA 31 3HB ALA 31 -6.179 -5.019 -24.274 234 H GLU 32 H GLU 32 -7.755 -6.893 -21.859 235 HA GLU 32 HA GLU 32 -10.240 -7.672 -23.363 236 1HB GLU 32 2HB GLU 32 -7.737 -9.326 -22.880 237 2HB GLU 32 3HB GLU 32 -9.272 -9.959 -23.488 238 1HG GLU 32 2HG GLU 32 -9.134 -8.288 -25.388 239 2HG GLU 32 3HG GLU 32 -7.494 -7.906 -24.862 240 H ASP 33 H ASP 33 -8.608 -7.778 -20.237 241 HA ASP 33 HA ASP 33 -10.989 -9.212 -19.100 242 1HB ASP 33 2HB ASP 33 -8.027 -9.475 -18.479 243 2HB ASP 33 3HB ASP 33 -9.281 -10.025 -17.386 244 H GLY 34 H GLY 34 -9.104 -6.292 -18.900 245 1HA GLY 34 2HA GLY 34 -9.375 -4.436 -17.579 246 2HA GLY 34 3HA GLY 34 -10.802 -5.186 -16.864 247 H GLU 35 H GLU 35 -8.285 -7.324 -16.343 248 HA GLU 35 HA GLU 35 -7.106 -6.054 -13.981 249 1HB GLU 35 2HB GLU 35 -7.846 -7.787 -12.425 250 2HB GLU 35 3HB GLU 35 -9.226 -6.940 -13.100 251 1HG GLU 35 2HG GLU 35 -9.582 -8.849 -14.699 252 2HG GLU 35 3HG GLU 35 -8.239 -9.697 -13.935 253 H ILE 36 H ILE 36 -5.441 -7.272 -12.994 254 HA ILE 36 HA ILE 36 -4.298 -9.604 -14.454 255 HB ILE 36 HB ILE 36 -2.808 -7.087 -13.592 256 1HG1 ILE 36 2HG1 ILE 36 -2.800 -8.384 -16.344 257 2HG1 ILE 36 3HG1 ILE 36 -3.994 -7.159 -15.914 258 1HG2 ILE 36 1HG2 ILE 36 -0.752 -8.325 -14.450 259 2HG2 ILE 36 2HG2 ILE 36 -1.423 -9.001 -12.980 260 3HG2 ILE 36 3HG2 ILE 36 -1.735 -9.789 -14.545 261 1HD1 ILE 36 1HD1 ILE 36 -0.989 -6.713 -15.902 262 2HD1 ILE 36 2HD1 ILE 36 -2.157 -6.133 -17.091 263 3HD1 ILE 36 3HD1 ILE 36 -2.241 -5.543 -15.419 264 H ASP 37 H ASP 37 -3.556 -11.139 -13.089 265 HA ASP 37 HA ASP 37 -3.581 -10.634 -10.136 266 1HB ASP 37 2HB ASP 37 -5.308 -12.203 -10.889 267 2HB ASP 37 3HB ASP 37 -4.096 -13.178 -11.718 268 H MET 38 H MET 38 -1.707 -10.993 -9.036 269 HA MET 38 HA MET 38 0.602 -12.233 -10.475 270 1HB MET 38 2HB MET 38 0.683 -9.752 -10.631 271 2HB MET 38 3HB MET 38 0.647 -9.643 -8.879 272 1HG MET 38 2HG MET 38 2.924 -9.377 -9.765 273 2HG MET 38 3HG MET 38 2.803 -10.765 -8.706 274 1HE MET 38 1HE MET 38 3.082 -9.516 -12.414 275 2HE MET 38 2HE MET 38 3.210 -11.035 -13.329 276 3HE MET 38 3HE MET 38 1.670 -10.591 -12.569 277 H HIS 39 H HIS 39 2.129 -13.253 -9.231 278 HA HIS 39 HA HIS 39 1.135 -14.295 -6.654 279 1HB HIS 39 2HB HIS 39 1.709 -15.831 -8.487 280 2HB HIS 39 3HB HIS 39 3.359 -15.207 -8.514 281 HD1 HIS 39 HD1 HIS 39 5.046 -16.328 -6.805 282 HD2 HIS 39 HD2 HIS 39 0.973 -17.252 -6.204 283 HE1 HIS 39 HE1 HIS 39 4.972 -18.130 -5.006 284 H CYS 40 H CYS 40 2.107 -14.122 -4.785 285 HA CYS 40 HA CYS 40 4.288 -12.228 -4.286 286 1HB CYS 40 2HB CYS 40 2.214 -12.281 -2.908 287 2HB CYS 40 3HB CYS 40 2.563 -13.949 -2.454 288 H ASP 41 H ASP 41 5.996 -13.404 -5.370 289 HA ASP 41 HA ASP 41 6.747 -16.104 -4.814 290 1HB ASP 41 2HB ASP 41 8.417 -13.715 -5.686 291 2HB ASP 41 3HB ASP 41 9.023 -15.369 -5.626 292 H TYR 42 H TYR 42 7.086 -13.299 -2.848 293 HA TYR 42 HA TYR 42 9.298 -14.041 -1.182 294 1HB TYR 42 2HB TYR 42 6.885 -12.226 -0.773 295 2HB TYR 42 3HB TYR 42 8.224 -12.340 0.336 296 HD1 TYR 42 HD1 TYR 42 10.570 -11.702 -0.469 297 HD2 TYR 42 HD2 TYR 42 6.995 -10.814 -2.719 298 HE1 TYR 42 HE1 TYR 42 11.825 -10.008 -1.799 299 HE2 TYR 42 HE2 TYR 42 8.258 -9.143 -4.067 300 HH TYR 42 HH TYR 42 10.286 -8.109 -4.415 301 H CYS 43 H CYS 43 5.803 -14.667 -0.962 302 HA CYS 43 HA CYS 43 6.248 -16.317 1.506 303 1HB CYS 43 2HB CYS 43 3.777 -14.676 0.881 304 2HB CYS 43 3HB CYS 43 4.225 -15.445 2.407 305 H GLY 44 H GLY 44 4.407 -16.172 -1.553 306 1HA GLY 44 2HA GLY 44 3.660 -18.160 -2.648 307 2HA GLY 44 3HA GLY 44 3.505 -18.999 -1.108 308 H ASN 45 H ASN 45 2.280 -15.865 -2.303 309 HA ASN 45 HA ASN 45 -0.563 -16.691 -1.913 310 1HB ASN 45 2HB ASN 45 0.371 -15.452 0.094 311 2HB ASN 45 3HB ASN 45 0.701 -14.079 -0.954 312 1HD2 ASN 45 2HD2 ASN 45 -0.732 -12.690 0.235 313 2HD2 ASN 45 1HD2 ASN 45 -2.468 -12.923 0.144 314 H HIS 46 H HIS 46 -1.949 -14.581 -2.837 315 HA HIS 46 HA HIS 46 -0.647 -13.494 -5.252 316 1HB HIS 46 2HB HIS 46 -2.229 -14.269 -6.797 317 2HB HIS 46 3HB HIS 46 -1.722 -15.689 -5.899 318 HD1 HIS 46 HD1 HIS 46 -4.772 -13.979 -7.043 319 HD2 HIS 46 HD2 HIS 46 -3.608 -16.379 -3.776 320 HE1 HIS 46 HE1 HIS 46 -6.929 -14.863 -5.989 321 H TYR 47 H TYR 47 -1.919 -11.773 -6.327 322 HA TYR 47 HA TYR 47 -3.975 -10.419 -4.713 323 1HB TYR 47 2HB TYR 47 -1.232 -9.256 -5.388 324 2HB TYR 47 3HB TYR 47 -2.603 -8.303 -4.873 325 HD1 TYR 47 HD1 TYR 47 -3.571 -8.643 -2.536 326 HD2 TYR 47 HD2 TYR 47 0.177 -10.386 -3.770 327 HE1 TYR 47 HE1 TYR 47 -2.891 -8.897 -0.150 328 HE2 TYR 47 HE2 TYR 47 0.861 -10.616 -1.393 329 HH TYR 47 HH TYR 47 0.278 -10.264 0.802 330 H LEU 48 H LEU 48 -5.158 -8.968 -5.989 331 HA LEU 48 HA LEU 48 -4.593 -9.108 -8.881 332 1HB LEU 48 2HB LEU 48 -6.837 -9.255 -9.414 333 2HB LEU 48 3HB LEU 48 -6.596 -10.399 -8.106 334 HG LEU 48 HG LEU 48 -7.911 -7.645 -7.884 335 1HD1 LEU 48 1HD1 LEU 48 -9.980 -8.909 -7.561 336 2HD1 LEU 48 2HD1 LEU 48 -9.239 -9.318 -9.115 337 3HD1 LEU 48 3HD1 LEU 48 -9.098 -10.443 -7.746 338 1HD2 LEU 48 1HD2 LEU 48 -7.574 -9.827 -5.777 339 2HD2 LEU 48 2HD2 LEU 48 -6.927 -8.166 -5.714 340 3HD2 LEU 48 3HD2 LEU 48 -8.664 -8.431 -5.628 341 H PHE 49 H PHE 49 -4.889 -7.350 -10.194 342 HA PHE 49 HA PHE 49 -5.198 -4.609 -8.989 343 1HB PHE 49 2HB PHE 49 -3.030 -5.549 -10.912 344 2HB PHE 49 3HB PHE 49 -3.196 -3.956 -10.183 345 HD1 PHE 49 HD1 PHE 49 -2.469 -3.516 -7.914 346 HD2 PHE 49 HD2 PHE 49 -2.209 -7.491 -9.551 347 HE1 PHE 49 HE1 PHE 49 -1.100 -4.223 -5.979 348 HE2 PHE 49 HE2 PHE 49 -0.797 -8.188 -7.633 349 HZ PHE 49 HZ PHE 49 -0.242 -6.557 -5.834 350 H ASN 50 H ASN 50 -5.798 -3.000 -10.444 351 HA ASN 50 HA ASN 50 -6.923 -3.870 -13.082 352 1HB ASN 50 2HB ASN 50 -8.069 -1.853 -11.116 353 2HB ASN 50 3HB ASN 50 -8.741 -2.239 -12.695 354 1HD2 ASN 50 2HD2 ASN 50 -9.548 -4.467 -13.064 355 2HD2 ASN 50 1HD2 ASN 50 -10.203 -5.312 -11.664 356 H ALA 51 H ALA 51 -7.339 -1.859 -14.497 357 HA ALA 51 HA ALA 51 -4.858 -0.732 -15.186 358 1HB ALA 51 1HB ALA 51 -7.665 0.283 -15.832 359 2HB ALA 51 2HB ALA 51 -6.180 0.675 -16.723 360 3HB ALA 51 3HB ALA 51 -6.792 -0.990 -16.714 361 H MET 52 H MET 52 -7.471 0.810 -13.246 362 HA MET 52 HA MET 52 -6.034 3.299 -12.944 363 1HB MET 52 2HB MET 52 -7.704 3.916 -11.325 364 2HB MET 52 3HB MET 52 -8.439 3.300 -12.796 365 1HG MET 52 2HG MET 52 -8.133 1.681 -10.233 366 2HG MET 52 3HG MET 52 -9.546 2.634 -10.654 367 1HE MET 52 1HE MET 52 -10.948 -0.964 -11.004 368 2HE MET 52 2HE MET 52 -9.768 -0.377 -9.810 369 3HE MET 52 3HE MET 52 -11.153 0.641 -10.268 370 H ASP 53 H ASP 53 -6.121 0.289 -10.946 371 HA ASP 53 HA ASP 53 -4.735 1.531 -8.737 372 1HB ASP 53 2HB ASP 53 -6.181 -0.632 -8.863 373 2HB ASP 53 3HB ASP 53 -4.704 -1.429 -9.392 374 H ILE 54 H ILE 54 -3.695 -0.389 -11.584 375 HA ILE 54 HA ILE 54 -0.887 -0.438 -11.023 376 HB ILE 54 HB ILE 54 -2.522 -0.660 -13.573 377 1HG1 ILE 54 2HG1 ILE 54 -0.964 -2.771 -11.996 378 2HG1 ILE 54 3HG1 ILE 54 -2.669 -2.436 -11.734 379 1HG2 ILE 54 1HG2 ILE 54 -0.467 -1.544 -14.664 380 2HG2 ILE 54 2HG2 ILE 54 -0.298 0.146 -14.226 381 3HG2 ILE 54 3HG2 ILE 54 0.476 -1.103 -13.221 382 1HD1 ILE 54 1HD1 ILE 54 -3.160 -3.007 -14.103 383 2HD1 ILE 54 2HD1 ILE 54 -1.463 -3.520 -14.295 384 3HD1 ILE 54 3HD1 ILE 54 -2.523 -4.354 -13.147 385 H ALA 55 H ALA 55 -2.984 1.987 -12.620 386 HA ALA 55 HA ALA 55 -0.847 3.686 -13.521 387 1HB ALA 55 1HB ALA 55 -3.154 3.846 -14.382 388 2HB ALA 55 2HB ALA 55 -3.716 4.416 -12.793 389 3HB ALA 55 3HB ALA 55 -2.587 5.399 -13.741 390 H GLU 56 H GLU 56 -2.639 3.565 -10.405 391 HA GLU 56 HA GLU 56 -1.220 5.845 -9.259 392 1HB GLU 56 2HB GLU 56 -2.946 3.678 -8.034 393 2HB GLU 56 3HB GLU 56 -2.192 4.975 -7.102 394 1HG GLU 56 2HG GLU 56 -4.116 5.443 -9.423 395 2HG GLU 56 3HG GLU 56 -4.577 5.414 -7.729 396 H ILE 57 H ILE 57 -0.727 2.312 -9.154 397 HA ILE 57 HA ILE 57 1.501 2.310 -7.355 398 HB ILE 57 HB ILE 57 0.629 0.502 -9.619 399 1HG1 ILE 57 2HG1 ILE 57 0.743 -0.138 -6.648 400 2HG1 ILE 57 3HG1 ILE 57 -0.628 0.728 -7.316 401 1HG2 ILE 57 1HG2 ILE 57 3.041 0.200 -9.490 402 2HG2 ILE 57 2HG2 ILE 57 2.974 0.048 -7.718 403 3HG2 ILE 57 3HG2 ILE 57 2.267 -1.199 -8.766 404 1HD1 ILE 57 1HD1 ILE 57 0.244 -2.026 -8.299 405 2HD1 ILE 57 2HD1 ILE 57 -1.056 -1.691 -7.140 406 3HD1 ILE 57 3HD1 ILE 57 -1.182 -1.118 -8.810 407 H ARG 58 H ARG 58 1.299 2.898 -10.862 408 HA ARG 58 HA ARG 58 4.157 3.216 -11.293 409 1HB ARG 58 2HB ARG 58 1.635 3.725 -12.907 410 2HB ARG 58 3HB ARG 58 3.179 4.283 -13.511 411 1HG ARG 58 2HG ARG 58 2.656 1.371 -12.775 412 2HG ARG 58 3HG ARG 58 2.441 2.060 -14.387 413 1HD ARG 58 2HD ARG 58 4.889 2.857 -14.236 414 2HD ARG 58 3HD ARG 58 5.033 1.843 -12.803 415 HE ARG 58 HE ARG 58 5.125 -0.046 -14.156 416 1HH1 ARG 58 1HH1 ARG 58 3.984 2.573 -16.265 417 2HH1 ARG 58 2HH1 ARG 58 4.234 1.525 -17.669 418 1HH2 ARG 58 1HH2 ARG 58 5.358 -1.161 -16.023 419 2HH2 ARG 58 2HH2 ARG 58 4.918 -0.366 -17.553 420 H ASN 59 H ASN 59 1.928 5.479 -9.912 421 HA ASN 59 HA ASN 59 4.003 7.579 -10.363 422 1HB ASN 59 2HB ASN 59 2.562 9.201 -11.089 423 2HB ASN 59 3HB ASN 59 1.902 7.785 -11.885 424 1HD2 ASN 59 2HD2 ASN 59 -0.176 6.962 -11.112 425 2HD2 ASN 59 1HD2 ASN 59 -1.203 7.971 -10.090 426 H ASN 60 H ASN 60 2.221 6.043 -8.019 427 HA ASN 60 HA ASN 60 3.214 7.931 -5.941 428 1HB ASN 60 2HB ASN 60 0.661 8.147 -6.744 429 2HB ASN 60 3HB ASN 60 0.434 6.776 -5.669 430 1HD2 ASN 60 2HD2 ASN 60 1.911 7.342 -3.431 431 2HD2 ASN 60 1HD2 ASN 60 1.414 8.903 -2.770 432 H ALA 61 H ALA 61 2.976 4.697 -6.986 433 HA ALA 61 HA ALA 61 3.327 2.670 -6.084 434 1HB ALA 61 1HB ALA 61 5.287 2.502 -4.668 435 2HB ALA 61 2HB ALA 61 5.528 3.759 -5.894 436 3HB ALA 61 3HB ALA 61 5.152 4.213 -4.216 437 H SER 62 H SER 62 1.019 4.108 -4.852 438 HA SER 62 HA SER 62 0.374 2.201 -2.706 439 1HB SER 62 2HB SER 62 0.554 5.208 -2.231 440 2HB SER 62 3HB SER 62 -0.399 4.115 -1.211 441 HG SER 62 HG SER 62 2.250 3.389 -1.771 Start of MODEL 4 1 1H MET 1 H1 MET 1 14.768 -5.590 7.804 2 2H MET 1 H2 MET 1 14.637 -7.188 7.479 3 3H MET 1 H3 MET 1 13.857 -6.100 6.540 4 HA MET 1 HA MET 1 13.286 -6.650 9.377 5 1HB MET 1 2HB MET 1 12.918 -4.272 8.789 6 2HB MET 1 3HB MET 1 11.855 -4.753 7.461 7 1HG MET 1 2HG MET 1 10.298 -5.791 9.089 8 2HG MET 1 3HG MET 1 11.383 -5.348 10.412 9 1HE MET 1 1HE MET 1 8.227 -4.727 10.231 10 2HE MET 1 2HE MET 1 9.250 -4.325 11.631 11 3HE MET 1 3HE MET 1 8.201 -3.084 10.910 12 H ASP 2 H ASP 2 11.883 -8.280 9.757 13 HA ASP 2 HA ASP 2 10.918 -9.939 7.568 14 1HB ASP 2 2HB ASP 2 11.902 -10.834 9.654 15 2HB ASP 2 3HB ASP 2 10.560 -10.165 10.580 16 H VAL 3 H VAL 3 9.679 -7.892 6.815 17 HA VAL 3 HA VAL 3 7.255 -7.059 8.049 18 HB VAL 3 HB VAL 3 6.655 -6.125 5.839 19 1HG1 VAL 3 1HG1 VAL 3 8.469 -4.519 5.703 20 2HG1 VAL 3 2HG1 VAL 3 8.131 -4.896 7.400 21 3HG1 VAL 3 3HG1 VAL 3 9.554 -5.599 6.597 22 1HG2 VAL 3 1HG2 VAL 3 9.250 -7.361 4.814 23 2HG2 VAL 3 2HG2 VAL 3 7.614 -7.859 4.335 24 3HG2 VAL 3 3HG2 VAL 3 8.192 -6.235 3.945 25 H GLU 4 H GLU 4 5.074 -7.380 7.539 26 HA GLU 4 HA GLU 4 4.346 -10.124 6.678 27 1HB GLU 4 2HB GLU 4 2.840 -7.951 8.206 28 2HB GLU 4 3HB GLU 4 2.205 -9.550 7.818 29 1HG GLU 4 2HG GLU 4 4.037 -10.605 9.127 30 2HG GLU 4 3HG GLU 4 4.613 -9.003 9.594 31 H PHE 5 H PHE 5 5.119 -8.165 4.737 32 HA PHE 5 HA PHE 5 3.011 -6.820 3.447 33 1HB PHE 5 2HB PHE 5 5.492 -6.499 3.150 34 2HB PHE 5 3HB PHE 5 5.515 -7.939 2.139 35 HD1 PHE 5 HD1 PHE 5 4.338 -7.913 -0.100 36 HD2 PHE 5 HD2 PHE 5 4.553 -4.401 2.401 37 HE1 PHE 5 HE1 PHE 5 3.663 -6.495 -2.024 38 HE2 PHE 5 HE2 PHE 5 3.876 -2.990 0.472 39 HZ PHE 5 HZ PHE 5 3.432 -4.033 -1.736 40 H LYS 6 H LYS 6 1.552 -7.269 1.977 41 HA LYS 6 HA LYS 6 1.374 -9.472 0.156 42 1HB LYS 6 2HB LYS 6 -0.615 -10.573 1.197 43 2HB LYS 6 3HB LYS 6 0.837 -10.781 2.159 44 1HG LYS 6 2HG LYS 6 0.085 -8.889 3.643 45 2HG LYS 6 3HG LYS 6 -1.415 -8.795 2.718 46 1HD LYS 6 2HD LYS 6 -2.101 -10.978 3.414 47 2HD LYS 6 3HD LYS 6 -0.508 -11.371 4.078 48 1HE LYS 6 2HE LYS 6 -2.224 -9.079 5.125 49 2HE LYS 6 3HE LYS 6 -2.339 -10.723 5.760 50 1HZ LYS 6 1HZ LYS 6 -0.047 -10.625 6.435 51 2HZ LYS 6 2HZ LYS 6 0.209 -9.172 5.743 52 3HZ LYS 6 3HZ LYS 6 -0.789 -9.304 7.039 53 H CYS 7 H CYS 7 -1.018 -9.476 -0.709 54 HA CYS 7 HA CYS 7 -1.774 -6.762 -1.422 55 1HB CYS 7 2HB CYS 7 -1.768 -8.714 -2.992 56 2HB CYS 7 3HB CYS 7 -3.175 -9.372 -2.126 57 H THR 8 H THR 8 -1.961 -6.627 1.168 58 HA THR 8 HA THR 8 -4.445 -7.362 2.427 59 HB THR 8 HB THR 8 -2.367 -6.819 3.637 60 HG1 THR 8 1HG THR 8 -3.396 -5.692 5.280 61 1HG2 THR 8 1HG2 THR 8 -1.707 -4.529 4.107 62 2HG2 THR 8 2HG2 THR 8 -1.619 -4.810 2.364 63 3HG2 THR 8 3HG2 THR 8 -2.980 -3.891 3.047 64 H CYS 9 H CYS 9 -3.557 -4.764 0.302 65 HA CYS 9 HA CYS 9 -5.683 -2.932 0.766 66 1HB CYS 9 2HB CYS 9 -4.817 -2.009 -1.390 67 2HB CYS 9 3HB CYS 9 -3.545 -2.346 -0.230 68 H SER 10 H SER 10 -5.347 -5.791 -1.188 69 HA SER 10 HA SER 10 -6.725 -7.095 -2.440 70 1HB SER 10 2HB SER 10 -7.638 -7.113 -0.043 71 2HB SER 10 3HB SER 10 -8.938 -6.084 -0.632 72 HG SER 10 HG SER 10 -9.376 -8.398 -0.638 73 H ARG 11 H ARG 11 -9.269 -7.158 -3.168 74 HA ARG 11 HA ARG 11 -9.556 -5.584 -5.528 75 1HB ARG 11 2HB ARG 11 -10.684 -7.782 -4.896 76 2HB ARG 11 3HB ARG 11 -11.784 -6.871 -3.873 77 1HG ARG 11 2HG ARG 11 -12.607 -5.596 -5.824 78 2HG ARG 11 3HG ARG 11 -11.440 -6.422 -6.872 79 1HD ARG 11 2HD ARG 11 -12.561 -8.601 -6.349 80 2HD ARG 11 3HD ARG 11 -13.698 -7.750 -5.306 81 HE ARG 11 HE ARG 11 -14.932 -7.139 -7.157 82 1HH1 ARG 11 1HH1 ARG 11 -11.760 -8.011 -8.390 83 2HH1 ARG 11 2HH1 ARG 11 -12.319 -7.832 -10.053 84 1HH2 ARG 11 1HH2 ARG 11 -15.518 -7.054 -9.358 85 2HH2 ARG 11 2HH2 ARG 11 -14.251 -7.387 -10.533 86 H GLU 12 H GLU 12 -10.627 -5.058 -2.234 87 HA GLU 12 HA GLU 12 -12.499 -2.950 -2.646 88 1HB GLU 12 2HB GLU 12 -12.162 -4.224 -0.536 89 2HB GLU 12 3HB GLU 12 -10.646 -3.356 -0.260 90 1HG GLU 12 2HG GLU 12 -11.880 -1.213 -0.149 91 2HG GLU 12 3HG GLU 12 -13.390 -2.045 -0.528 92 H ARG 13 H ARG 13 -8.925 -2.613 -1.994 93 HA ARG 13 HA ARG 13 -9.087 0.284 -2.486 94 1HB ARG 13 2HB ARG 13 -6.715 -1.538 -2.098 95 2HB ARG 13 3HB ARG 13 -6.612 0.196 -2.369 96 1HG ARG 13 2HG ARG 13 -8.496 -0.123 -0.236 97 2HG ARG 13 3HG ARG 13 -7.152 -1.200 0.115 98 1HD ARG 13 2HD ARG 13 -6.666 0.878 1.150 99 2HD ARG 13 3HD ARG 13 -5.570 0.725 -0.234 100 HE ARG 13 HE ARG 13 -7.901 2.155 -1.073 101 1HH1 ARG 13 1HH1 ARG 13 -5.132 2.705 0.991 102 2HH1 ARG 13 2HH1 ARG 13 -5.216 4.435 0.798 103 1HH2 ARG 13 2HH2 ARG 13 -7.977 4.377 -1.275 104 2HH2 ARG 13 1HH2 ARG 13 -6.770 5.341 -0.464 105 H CYS 14 H CYS 14 -8.284 -2.557 -4.458 106 HA CYS 14 HA CYS 14 -7.272 -1.079 -6.701 107 1HB CYS 14 2HB CYS 14 -7.248 -3.619 -6.248 108 2HB CYS 14 3HB CYS 14 -8.893 -3.642 -6.905 109 HG CYS 14 HG CYS 14 -8.185 -2.231 -9.111 110 H ALA 15 H ALA 15 -10.598 -1.897 -5.690 111 HA ALA 15 HA ALA 15 -11.967 -0.673 -7.918 112 1HB ALA 15 1HB ALA 15 -12.902 -1.208 -5.059 113 2HB ALA 15 2HB ALA 15 -13.937 -0.826 -6.446 114 3HB ALA 15 3HB ALA 15 -13.019 -2.342 -6.418 115 H ASP 16 H ASP 16 -10.864 0.542 -4.717 116 HA ASP 16 HA ASP 16 -11.996 3.155 -4.875 117 1HB ASP 16 2HB ASP 16 -11.023 1.978 -2.856 118 2HB ASP 16 3HB ASP 16 -9.419 2.332 -3.491 119 H ALA 17 H ALA 17 -8.971 1.831 -6.198 120 HA ALA 17 HA ALA 17 -7.875 4.318 -7.155 121 1HB ALA 17 1HB ALA 17 -7.404 1.486 -8.183 122 2HB ALA 17 2HB ALA 17 -6.374 2.901 -8.448 123 3HB ALA 17 3HB ALA 17 -6.552 2.235 -6.814 124 H LEU 18 H LEU 18 -10.259 2.047 -8.513 125 HA LEU 18 HA LEU 18 -10.376 3.252 -11.164 126 1HB LEU 18 2HB LEU 18 -10.833 0.997 -11.128 127 2HB LEU 18 3HB LEU 18 -11.641 1.035 -9.586 128 HG LEU 18 HG LEU 18 -13.614 2.049 -10.603 129 1HD1 LEU 18 1HD1 LEU 18 -13.907 1.894 -13.087 130 2HD1 LEU 18 2HD1 LEU 18 -12.658 3.066 -12.664 131 3HD1 LEU 18 3HD1 LEU 18 -12.192 1.459 -13.252 132 1HD2 LEU 18 1HD2 LEU 18 -14.412 -0.011 -11.614 133 2HD2 LEU 18 2HD2 LEU 18 -12.748 -0.559 -11.920 134 3HD2 LEU 18 3HD2 LEU 18 -13.355 -0.408 -10.257 135 H LYS 19 H LYS 19 -12.358 3.420 -8.127 136 HA LYS 19 HA LYS 19 -14.517 4.887 -8.843 137 1HB LYS 19 2HB LYS 19 -13.770 3.698 -6.690 138 2HB LYS 19 3HB LYS 19 -12.811 5.147 -6.333 139 1HG LYS 19 2HG LYS 19 -14.989 6.403 -6.640 140 2HG LYS 19 3HG LYS 19 -15.794 4.829 -6.536 141 1HD LYS 19 2HD LYS 19 -13.906 6.024 -4.440 142 2HD LYS 19 3HD LYS 19 -15.663 6.086 -4.318 143 1HE LYS 19 2HE LYS 19 -15.858 3.721 -4.046 144 2HE LYS 19 3HE LYS 19 -14.198 3.435 -4.582 145 1HZ LYS 19 1HZ LYS 19 -14.403 3.313 -2.151 146 2HZ LYS 19 2HZ LYS 19 -13.368 4.497 -2.601 147 3HZ LYS 19 3HZ LYS 19 -14.879 4.876 -2.077 148 H THR 20 H THR 20 -11.239 6.199 -8.227 149 HA THR 20 HA THR 20 -12.116 8.979 -8.261 150 HB THR 20 HB THR 20 -9.683 9.494 -8.240 151 HG1 THR 20 1HG THR 20 -8.262 7.761 -8.014 152 1HG2 THR 20 1HG2 THR 20 -9.219 8.607 -6.012 153 2HG2 THR 20 2HG2 THR 20 -10.909 9.126 -6.118 154 3HG2 THR 20 3HG2 THR 20 -10.507 7.396 -6.184 155 H LEU 21 H LEU 21 -11.495 6.780 -10.866 156 HA LEU 21 HA LEU 21 -10.414 8.681 -12.745 157 1HB LEU 21 2HB LEU 21 -11.929 6.071 -13.166 158 2HB LEU 21 3HB LEU 21 -11.060 6.943 -14.408 159 HG LEU 21 HG LEU 21 -9.770 5.678 -11.952 160 1HD1 LEU 21 1HD1 LEU 21 -8.870 4.048 -13.552 161 2HD1 LEU 21 2HD1 LEU 21 -10.639 4.032 -13.577 162 3HD1 LEU 21 3HD1 LEU 21 -9.747 4.841 -14.882 163 1HD2 LEU 21 1HD2 LEU 21 -8.447 7.601 -12.714 164 2HD2 LEU 21 2HD2 LEU 21 -7.638 6.099 -13.164 165 3HD2 LEU 21 3HD2 LEU 21 -8.529 7.021 -14.395 166 HA PRO 22 HA PRO 22 -13.998 10.992 -13.971 167 1HB PRO 22 2HB PRO 22 -13.259 10.381 -16.833 168 2HB PRO 22 3HB PRO 22 -13.644 11.956 -16.077 169 1HG PRO 22 2HG PRO 22 -11.071 11.267 -16.591 170 2HG PRO 22 3HG PRO 22 -11.499 12.066 -15.042 171 1HD PRO 22 2HD PRO 22 -11.028 9.122 -15.568 172 2HD PRO 22 3HD PRO 22 -10.439 10.150 -14.225 173 H ASP 23 H ASP 23 -16.126 10.479 -14.110 174 HA ASP 23 HA ASP 23 -17.120 7.866 -14.395 175 1HB ASP 23 2HB ASP 23 -18.258 9.767 -13.284 176 2HB ASP 23 3HB ASP 23 -18.540 10.525 -14.845 177 H GLU 24 H GLU 24 -17.000 10.456 -16.826 178 HA GLU 24 HA GLU 24 -18.354 9.062 -18.933 179 1HB GLU 24 2HB GLU 24 -17.997 11.522 -18.796 180 2HB GLU 24 3HB GLU 24 -16.276 11.283 -19.133 181 1HG GLU 24 2HG GLU 24 -16.815 10.342 -21.344 182 2HG GLU 24 3HG GLU 24 -18.542 10.404 -20.980 183 H GLU 25 H GLU 25 -14.880 9.110 -18.025 184 HA GLU 25 HA GLU 25 -14.002 7.648 -20.379 185 1HB GLU 25 2HB GLU 25 -12.517 9.099 -19.019 186 2HB GLU 25 3HB GLU 25 -12.638 7.960 -17.669 187 1HG GLU 25 2HG GLU 25 -11.587 6.197 -19.007 188 2HG GLU 25 3HG GLU 25 -11.615 7.220 -20.445 189 H VAL 26 H VAL 26 -14.825 6.702 -17.017 190 HA VAL 26 HA VAL 26 -14.329 3.886 -17.290 191 HB VAL 26 HB VAL 26 -16.182 5.473 -15.470 192 1HG1 VAL 26 1HG1 VAL 26 -17.075 3.182 -15.583 193 2HG1 VAL 26 2HG1 VAL 26 -15.454 2.523 -15.270 194 3HG1 VAL 26 3HG1 VAL 26 -16.294 3.471 -14.027 195 1HG2 VAL 26 1HG2 VAL 26 -13.735 5.839 -15.155 196 2HG2 VAL 26 2HG2 VAL 26 -14.452 5.003 -13.776 197 3HG2 VAL 26 3HG2 VAL 26 -13.503 4.092 -14.971 198 H ASP 27 H ASP 27 -17.354 5.787 -17.767 199 HA ASP 27 HA ASP 27 -18.983 3.592 -18.601 200 1HB ASP 27 2HB ASP 27 -19.825 5.788 -17.837 201 2HB ASP 27 3HB ASP 27 -19.166 6.552 -19.286 202 H SER 28 H SER 28 -16.873 5.796 -20.502 203 HA SER 28 HA SER 28 -17.647 4.951 -23.098 204 1HB SER 28 2HB SER 28 -16.307 6.962 -22.627 205 2HB SER 28 3HB SER 28 -14.931 5.945 -22.152 206 HG SER 28 HG SER 28 -14.823 6.670 -24.346 207 H ILE 29 H ILE 29 -15.027 3.634 -20.966 208 HA ILE 29 HA ILE 29 -14.157 1.648 -22.827 209 HB ILE 29 HB ILE 29 -13.954 1.666 -19.792 210 1HG1 ILE 29 2HG1 ILE 29 -11.831 2.416 -21.858 211 2HG1 ILE 29 3HG1 ILE 29 -12.860 3.612 -21.105 212 1HG2 ILE 29 1HG2 ILE 29 -12.039 0.049 -20.218 213 2HG2 ILE 29 2HG2 ILE 29 -13.608 -0.613 -20.647 214 3HG2 ILE 29 3HG2 ILE 29 -12.525 -0.012 -21.919 215 1HD1 ILE 29 1HD1 ILE 29 -10.869 1.848 -19.639 216 2HD1 ILE 29 2HD1 ILE 29 -10.784 3.592 -19.920 217 3HD1 ILE 29 3HD1 ILE 29 -12.037 2.936 -18.850 218 H LEU 30 H LEU 30 -16.600 1.506 -20.180 219 HA LEU 30 HA LEU 30 -17.275 -1.259 -20.529 220 1HB LEU 30 2HB LEU 30 -18.933 1.093 -19.540 221 2HB LEU 30 3HB LEU 30 -19.458 -0.584 -19.464 222 HG LEU 30 HG LEU 30 -17.001 0.522 -18.035 223 1HD1 LEU 30 1HD1 LEU 30 -19.063 1.419 -17.112 224 2HD1 LEU 30 2HD1 LEU 30 -19.801 -0.197 -17.074 225 3HD1 LEU 30 3HD1 LEU 30 -18.422 0.181 -16.023 226 1HD2 LEU 30 1HD2 LEU 30 -16.669 -1.836 -18.471 227 2HD2 LEU 30 2HD2 LEU 30 -17.101 -1.628 -16.775 228 3HD2 LEU 30 3HD2 LEU 30 -18.321 -2.214 -17.928 229 H ALA 31 H ALA 31 -18.491 1.661 -22.195 230 HA ALA 31 HA ALA 31 -20.562 0.368 -23.667 231 1HB ALA 31 1HB ALA 31 -20.589 2.441 -24.969 232 2HB ALA 31 2HB ALA 31 -20.435 2.798 -23.241 233 3HB ALA 31 3HB ALA 31 -19.014 2.913 -24.305 234 H GLU 32 H GLU 32 -17.174 -0.035 -24.119 235 HA GLU 32 HA GLU 32 -17.672 -1.103 -26.873 236 1HB GLU 32 2HB GLU 32 -15.531 -0.408 -27.613 237 2HB GLU 32 3HB GLU 32 -16.407 0.988 -26.996 238 1HG GLU 32 2HG GLU 32 -15.069 0.970 -24.940 239 2HG GLU 32 3HG GLU 32 -14.284 -0.534 -25.414 240 H ASP 33 H ASP 33 -16.574 -1.962 -23.731 241 HA ASP 33 HA ASP 33 -15.794 -4.629 -24.806 242 1HB ASP 33 2HB ASP 33 -13.774 -3.048 -24.419 243 2HB ASP 33 3HB ASP 33 -14.107 -3.239 -22.705 244 H GLY 34 H GLY 34 -17.445 -2.895 -22.323 245 1HA GLY 34 2HA GLY 34 -18.785 -3.632 -20.629 246 2HA GLY 34 3HA GLY 34 -18.497 -5.287 -21.155 247 H GLU 35 H GLU 35 -15.437 -4.147 -20.493 248 HA GLU 35 HA GLU 35 -15.514 -4.349 -17.575 249 1HB GLU 35 2HB GLU 35 -13.959 -6.249 -17.441 250 2HB GLU 35 3HB GLU 35 -15.498 -6.712 -18.135 251 1HG GLU 35 2HG GLU 35 -14.470 -6.615 -20.423 252 2HG GLU 35 3HG GLU 35 -12.929 -6.162 -19.690 253 H ILE 36 H ILE 36 -13.441 -4.098 -16.555 254 HA ILE 36 HA ILE 36 -11.348 -2.603 -18.066 255 HB ILE 36 HB ILE 36 -12.633 -1.769 -15.424 256 1HG1 ILE 36 2HG1 ILE 36 -12.889 -0.349 -18.108 257 2HG1 ILE 36 3HG1 ILE 36 -14.143 -1.363 -17.403 258 1HG2 ILE 36 1HG2 ILE 36 -11.245 0.269 -15.617 259 2HG2 ILE 36 2HG2 ILE 36 -10.226 -1.152 -15.599 260 3HG2 ILE 36 3HG2 ILE 36 -10.552 -0.329 -17.139 261 1HD1 ILE 36 1HD1 ILE 36 -14.744 0.857 -16.932 262 2HD1 ILE 36 2HD1 ILE 36 -14.211 0.120 -15.407 263 3HD1 ILE 36 3HD1 ILE 36 -13.149 1.258 -16.278 264 H ASP 37 H ASP 37 -9.306 -3.110 -17.370 265 HA ASP 37 HA ASP 37 -8.973 -4.936 -15.007 266 1HB ASP 37 2HB ASP 37 -8.234 -5.826 -17.219 267 2HB ASP 37 3HB ASP 37 -7.074 -4.501 -17.338 268 H MET 38 H MET 38 -7.875 -4.237 -13.304 269 HA MET 38 HA MET 38 -6.386 -1.640 -13.373 270 1HB MET 38 2HB MET 38 -8.438 -2.639 -11.369 271 2HB MET 38 3HB MET 38 -7.397 -1.249 -11.091 272 1HG MET 38 2HG MET 38 -9.424 -1.491 -13.344 273 2HG MET 38 3HG MET 38 -9.706 -0.693 -11.813 274 1HE MET 38 1HE MET 38 -8.444 1.448 -10.973 275 2HE MET 38 2HE MET 38 -6.790 0.962 -11.403 276 3HE MET 38 3HE MET 38 -7.442 2.501 -11.994 277 H HIS 39 H HIS 39 -4.771 -1.420 -11.760 278 HA HIS 39 HA HIS 39 -3.943 -3.926 -10.408 279 1HB HIS 39 2HB HIS 39 -1.608 -3.466 -10.972 280 2HB HIS 39 3HB HIS 39 -2.604 -3.760 -12.387 281 HD1 HIS 39 HD1 HIS 39 -2.651 -1.847 -14.214 282 HD2 HIS 39 HD2 HIS 39 -0.782 -0.836 -10.581 283 HE1 HIS 39 HE1 HIS 39 -1.497 0.393 -14.605 284 H CYS 40 H CYS 40 -3.042 -3.808 -8.445 285 HA CYS 40 HA CYS 40 -3.642 -1.639 -6.720 286 1HB CYS 40 2HB CYS 40 -1.813 -4.077 -6.512 287 2HB CYS 40 3HB CYS 40 -2.197 -3.012 -5.171 288 H ASP 41 H ASP 41 -2.577 0.341 -6.945 289 HA ASP 41 HA ASP 41 0.173 0.675 -7.767 290 1HB ASP 41 2HB ASP 41 -1.555 2.462 -7.806 291 2HB ASP 41 3HB ASP 41 -1.617 2.441 -6.043 292 H TYR 42 H TYR 42 -1.339 -0.252 -4.861 293 HA TYR 42 HA TYR 42 0.502 0.284 -2.793 294 1HB TYR 42 2HB TYR 42 -1.505 -1.984 -3.044 295 2HB TYR 42 3HB TYR 42 -0.962 -1.220 -1.574 296 HD1 TYR 42 HD1 TYR 42 -3.469 -1.299 -4.152 297 HD2 TYR 42 HD2 TYR 42 -1.575 1.361 -1.321 298 HE1 TYR 42 HE1 TYR 42 -5.251 0.380 -4.541 299 HE2 TYR 42 HE2 TYR 42 -3.423 3.009 -1.655 300 HH TYR 42 HH TYR 42 -6.089 2.429 -3.981 301 H CYS 43 H CYS 43 0.017 -2.669 -4.747 302 HA CYS 43 HA CYS 43 2.613 -3.795 -3.796 303 1HB CYS 43 2HB CYS 43 1.477 -5.923 -3.346 304 2HB CYS 43 3HB CYS 43 0.762 -4.618 -2.388 305 H GLY 44 H GLY 44 0.567 -3.418 -6.583 306 1HA GLY 44 2HA GLY 44 1.324 -3.793 -8.769 307 2HA GLY 44 3HA GLY 44 2.466 -5.010 -8.212 308 H ASN 45 H ASN 45 -0.431 -5.855 -6.748 309 HA ASN 45 HA ASN 45 -0.927 -8.084 -8.516 310 1HB ASN 45 2HB ASN 45 -1.315 -7.979 -6.006 311 2HB ASN 45 3HB ASN 45 -2.697 -6.933 -6.321 312 1HD2 ASN 45 2HD2 ASN 45 -3.930 -8.607 -5.174 313 2HD2 ASN 45 1HD2 ASN 45 -4.438 -10.034 -6.073 314 H HIS 46 H HIS 46 -3.192 -8.513 -9.504 315 HA HIS 46 HA HIS 46 -4.356 -6.062 -10.764 316 1HB HIS 46 2HB HIS 46 -3.451 -8.701 -11.936 317 2HB HIS 46 3HB HIS 46 -4.769 -7.820 -12.661 318 HD1 HIS 46 HD1 HIS 46 -4.099 -5.991 -14.415 319 HD2 HIS 46 HD2 HIS 46 -1.008 -7.203 -11.800 320 HE1 HIS 46 HE1 HIS 46 -1.955 -4.945 -15.294 321 H TYR 47 H TYR 47 -6.568 -6.159 -11.374 322 HA TYR 47 HA TYR 47 -8.273 -8.396 -10.560 323 1HB TYR 47 2HB TYR 47 -8.420 -5.603 -9.338 324 2HB TYR 47 3HB TYR 47 -9.779 -6.698 -9.366 325 HD1 TYR 47 HD1 TYR 47 -9.564 -8.995 -8.215 326 HD2 TYR 47 HD2 TYR 47 -6.793 -5.748 -7.572 327 HE1 TYR 47 HE1 TYR 47 -8.882 -10.006 -6.049 328 HE2 TYR 47 HE2 TYR 47 -6.105 -6.768 -5.409 329 HH TYR 47 HH TYR 47 -7.547 -9.825 -4.204 330 H LEU 48 H LEU 48 -10.235 -8.316 -11.686 331 HA LEU 48 HA LEU 48 -10.446 -6.171 -13.720 332 1HB LEU 48 2HB LEU 48 -11.282 -7.694 -15.325 333 2HB LEU 48 3HB LEU 48 -9.808 -8.343 -14.643 334 HG LEU 48 HG LEU 48 -11.497 -9.709 -13.070 335 1HD1 LEU 48 1HD1 LEU 48 -13.519 -10.401 -14.314 336 2HD1 LEU 48 2HD1 LEU 48 -13.597 -8.675 -13.960 337 3HD1 LEU 48 3HD1 LEU 48 -13.161 -9.218 -15.589 338 1HD2 LEU 48 1HD2 LEU 48 -9.887 -10.704 -14.637 339 2HD2 LEU 48 2HD2 LEU 48 -11.443 -11.543 -14.716 340 3HD2 LEU 48 3HD2 LEU 48 -10.992 -10.391 -15.995 341 H PHE 49 H PHE 49 -12.419 -5.242 -14.143 342 HA PHE 49 HA PHE 49 -14.677 -5.819 -12.263 343 1HB PHE 49 2HB PHE 49 -13.515 -3.114 -13.043 344 2HB PHE 49 3HB PHE 49 -14.958 -3.369 -12.076 345 HD1 PHE 49 HD1 PHE 49 -11.261 -3.488 -12.073 346 HD2 PHE 49 HD2 PHE 49 -14.823 -4.196 -9.753 347 HE1 PHE 49 HE1 PHE 49 -9.902 -3.609 -9.993 348 HE2 PHE 49 HE2 PHE 49 -13.470 -4.291 -7.689 349 HZ PHE 49 HZ PHE 49 -11.004 -3.994 -7.801 350 H ASN 50 H ASN 50 -16.671 -5.725 -13.133 351 HA ASN 50 HA ASN 50 -16.910 -5.408 -16.100 352 1HB ASN 50 2HB ASN 50 -18.711 -6.844 -14.107 353 2HB ASN 50 3HB ASN 50 -18.776 -6.961 -15.864 354 1HD2 ASN 50 2HD2 ASN 50 -17.067 -7.949 -12.949 355 2HD2 ASN 50 1HD2 ASN 50 -16.152 -9.246 -13.738 356 H ALA 51 H ALA 51 -19.297 -4.780 -16.746 357 HA ALA 51 HA ALA 51 -19.870 -2.158 -15.868 358 1HB ALA 51 1HB ALA 51 -20.645 -3.128 -18.008 359 2HB ALA 51 2HB ALA 51 -21.754 -4.204 -17.127 360 3HB ALA 51 3HB ALA 51 -21.997 -2.444 -17.086 361 H MET 52 H MET 52 -21.138 -5.244 -14.627 362 HA MET 52 HA MET 52 -23.022 -4.118 -12.768 363 1HB MET 52 2HB MET 52 -23.047 -6.321 -11.718 364 2HB MET 52 3HB MET 52 -23.251 -6.400 -13.466 365 1HG MET 52 2HG MET 52 -20.917 -7.128 -13.736 366 2HG MET 52 3HG MET 52 -20.643 -6.958 -11.999 367 1HE MET 52 1HE MET 52 -23.138 -10.303 -14.021 368 2HE MET 52 2HE MET 52 -23.700 -8.621 -14.044 369 3HE MET 52 3HE MET 52 -22.196 -9.069 -14.884 370 H ASP 53 H ASP 53 -19.508 -4.801 -12.457 371 HA ASP 53 HA ASP 53 -19.375 -4.332 -9.604 372 1HB ASP 53 2HB ASP 53 -17.268 -4.100 -11.794 373 2HB ASP 53 3HB ASP 53 -16.962 -3.901 -10.093 374 H ILE 54 H ILE 54 -18.775 -2.205 -12.495 375 HA ILE 54 HA ILE 54 -18.240 0.173 -11.016 376 HB ILE 54 HB ILE 54 -19.113 -0.465 -13.835 377 1HG1 ILE 54 2HG1 ILE 54 -16.975 0.674 -14.356 378 2HG1 ILE 54 3HG1 ILE 54 -16.673 0.939 -12.641 379 1HG2 ILE 54 1HG2 ILE 54 -18.854 2.344 -12.674 380 2HG2 ILE 54 2HG2 ILE 54 -18.881 1.961 -14.408 381 3HG2 ILE 54 3HG2 ILE 54 -20.298 1.613 -13.429 382 1HD1 ILE 54 1HD1 ILE 54 -15.329 -0.888 -13.576 383 2HD1 ILE 54 2HD1 ILE 54 -16.434 -1.524 -12.355 384 3HD1 ILE 54 3HD1 ILE 54 -16.781 -1.730 -14.099 385 H ALA 55 H ALA 55 -21.326 -1.236 -12.144 386 HA ALA 55 HA ALA 55 -23.027 0.903 -11.349 387 1HB ALA 55 1HB ALA 55 -24.817 -0.759 -11.448 388 2HB ALA 55 2HB ALA 55 -23.719 -0.941 -12.829 389 3HB ALA 55 3HB ALA 55 -23.632 -2.077 -11.464 390 H GLU 56 H GLU 56 -21.683 -1.818 -9.413 391 HA GLU 56 HA GLU 56 -23.169 -1.064 -6.994 392 1HB GLU 56 2HB GLU 56 -20.791 -2.910 -7.485 393 2HB GLU 56 3HB GLU 56 -21.458 -2.580 -5.883 394 1HG GLU 56 2HG GLU 56 -23.681 -3.399 -6.628 395 2HG GLU 56 3HG GLU 56 -23.006 -3.801 -8.205 396 H ILE 57 H ILE 57 -19.872 -0.430 -8.262 397 HA ILE 57 HA ILE 57 -18.856 0.920 -5.962 398 HB ILE 57 HB ILE 57 -18.180 1.036 -8.912 399 1HG1 ILE 57 2HG1 ILE 57 -16.552 -0.070 -6.581 400 2HG1 ILE 57 3HG1 ILE 57 -17.732 -1.047 -7.436 401 1HG2 ILE 57 1HG2 ILE 57 -17.481 3.220 -8.025 402 2HG2 ILE 57 2HG2 ILE 57 -16.677 2.429 -6.650 403 3HG2 ILE 57 3HG2 ILE 57 -16.066 2.226 -8.304 404 1HD1 ILE 57 1HD1 ILE 57 -15.232 0.184 -8.657 405 2HD1 ILE 57 2HD1 ILE 57 -15.563 -1.526 -8.350 406 3HD1 ILE 57 3HD1 ILE 57 -16.498 -0.661 -9.580 407 H ARG 58 H ARG 58 -20.646 2.302 -8.799 408 HA ARG 58 HA ARG 58 -20.462 5.009 -7.793 409 1HB ARG 58 2HB ARG 58 -22.036 5.643 -9.452 410 2HB ARG 58 3HB ARG 58 -20.879 4.493 -10.131 411 1HG ARG 58 2HG ARG 58 -22.549 2.712 -10.060 412 2HG ARG 58 3HG ARG 58 -23.714 3.780 -9.268 413 1HD ARG 58 2HD ARG 58 -24.235 3.552 -11.630 414 2HD ARG 58 3HD ARG 58 -23.817 5.213 -11.243 415 HE ARG 58 HE ARG 58 -22.182 3.253 -12.800 416 1HH1 ARG 58 1HH2 ARG 58 -22.502 6.635 -11.777 417 2HH1 ARG 58 2HH2 ARG 58 -21.192 7.092 -12.873 418 1HH2 ARG 58 1HH1 ARG 58 -20.554 4.099 -14.163 419 2HH2 ARG 58 2HH1 ARG 58 -20.229 5.831 -14.052 420 H ASN 59 H ASN 59 -22.709 2.450 -7.110 421 HA ASN 59 HA ASN 59 -24.515 4.180 -5.542 422 1HB ASN 59 2HB ASN 59 -24.451 1.215 -6.223 423 2HB ASN 59 3HB ASN 59 -25.543 1.851 -5.001 424 1HD2 ASN 59 2HD2 ASN 59 -25.083 1.499 -8.411 425 2HD2 ASN 59 1HD2 ASN 59 -26.531 2.403 -8.861 426 H ASN 60 H ASN 60 -21.505 3.136 -4.891 427 HA ASN 60 HA ASN 60 -21.969 2.978 -1.934 428 1HB ASN 60 2HB ASN 60 -21.199 0.844 -2.983 429 2HB ASN 60 3HB ASN 60 -19.766 1.676 -3.586 430 1HD2 ASN 60 2HD2 ASN 60 -18.012 1.122 -2.322 431 2HD2 ASN 60 1HD2 ASN 60 -18.082 0.931 -0.576 432 H ALA 61 H ALA 61 -20.142 4.493 -4.549 433 HA ALA 61 HA ALA 61 -18.224 5.909 -2.948 434 1HB ALA 61 1HB ALA 61 -17.849 7.126 -5.070 435 2HB ALA 61 2HB ALA 61 -17.974 5.380 -5.361 436 3HB ALA 61 3HB ALA 61 -19.346 6.445 -5.739 437 H SER 62 H SER 62 -21.569 6.386 -3.219 438 HA SER 62 HA SER 62 -22.162 9.056 -3.393 439 1HB SER 62 2HB SER 62 -23.413 7.090 -1.441 440 2HB SER 62 3HB SER 62 -24.174 8.539 -2.121 441 HG SER 62 HG SER 62 -24.008 7.575 -4.206 Start of MODEL 5 1 1H MET 1 H1 MET 1 -5.687 -13.171 26.502 2 2H MET 1 H2 MET 1 -4.437 -12.259 27.042 3 3H MET 1 H3 MET 1 -5.597 -11.579 26.113 4 HA MET 1 HA MET 1 -3.708 -13.658 25.261 5 1HB MET 1 2HB MET 1 -4.586 -13.590 23.082 6 2HB MET 1 3HB MET 1 -5.970 -13.769 24.142 7 1HG MET 1 2HG MET 1 -5.067 -11.194 22.779 8 2HG MET 1 3HG MET 1 -6.382 -12.235 22.265 9 1HE MET 1 1HE MET 1 -8.168 -8.924 23.395 10 2HE MET 1 2HE MET 1 -6.558 -9.062 22.656 11 3HE MET 1 3HE MET 1 -7.901 -10.065 22.059 12 H ASP 2 H ASP 2 -2.374 -12.828 23.313 13 HA ASP 2 HA ASP 2 -1.641 -9.964 23.462 14 1HB ASP 2 2HB ASP 2 -0.257 -11.039 25.197 15 2HB ASP 2 3HB ASP 2 0.279 -12.261 24.042 16 H VAL 3 H VAL 3 -0.946 -9.191 21.516 17 HA VAL 3 HA VAL 3 0.103 -10.902 19.402 18 HB VAL 3 HB VAL 3 -2.343 -11.266 19.215 19 1HG1 VAL 3 1HG1 VAL 3 -3.851 -9.542 18.414 20 2HG1 VAL 3 2HG1 VAL 3 -3.179 -9.064 19.980 21 3HG1 VAL 3 3HG1 VAL 3 -2.567 -8.323 18.485 22 1HG2 VAL 3 1HG2 VAL 3 -0.875 -11.405 17.218 23 2HG2 VAL 3 2HG2 VAL 3 -2.550 -10.968 16.853 24 3HG2 VAL 3 3HG2 VAL 3 -1.297 -9.719 16.822 25 H GLU 4 H GLU 4 1.030 -9.750 17.688 26 HA GLU 4 HA GLU 4 1.027 -6.826 17.603 27 1HB GLU 4 2HB GLU 4 3.021 -8.167 19.126 28 2HB GLU 4 3HB GLU 4 3.811 -7.773 17.612 29 1HG GLU 4 2HG GLU 4 2.238 -5.725 19.240 30 2HG GLU 4 3HG GLU 4 3.930 -6.092 19.545 31 H PHE 5 H PHE 5 2.361 -6.076 15.716 32 HA PHE 5 HA PHE 5 2.414 -8.059 13.486 33 1HB PHE 5 2HB PHE 5 0.432 -6.274 13.806 34 2HB PHE 5 3HB PHE 5 1.577 -5.197 13.046 35 HD1 PHE 5 HD1 PHE 5 -0.510 -8.231 12.686 36 HD2 PHE 5 HD2 PHE 5 2.121 -5.490 10.654 37 HE1 PHE 5 HE1 PHE 5 -1.279 -9.125 10.495 38 HE2 PHE 5 HE2 PHE 5 1.340 -6.378 8.456 39 HZ PHE 5 HZ PHE 5 -0.355 -8.195 8.378 40 H LYS 6 H LYS 6 4.410 -6.913 15.250 41 HA LYS 6 HA LYS 6 6.214 -5.125 14.778 42 1HB LYS 6 2HB LYS 6 6.377 -6.999 16.343 43 2HB LYS 6 3HB LYS 6 6.925 -8.035 15.025 44 1HG LYS 6 2HG LYS 6 8.804 -7.499 16.308 45 2HG LYS 6 3HG LYS 6 8.986 -6.607 14.814 46 1HD LYS 6 2HD LYS 6 7.707 -5.237 17.200 47 2HD LYS 6 3HD LYS 6 9.426 -5.569 17.273 48 1HE LYS 6 2HE LYS 6 8.089 -3.923 15.085 49 2HE LYS 6 3HE LYS 6 8.902 -3.279 16.511 50 1HZ LYS 6 1HZ LYS 6 10.187 -4.829 14.337 51 2HZ LYS 6 2HZ LYS 6 10.436 -3.268 14.681 52 3HZ LYS 6 3HZ LYS 6 10.954 -4.411 15.731 53 H CYS 7 H CYS 7 6.949 -4.207 13.229 54 HA CYS 7 HA CYS 7 7.578 -5.161 10.558 55 1HB CYS 7 2HB CYS 7 6.774 -2.810 11.439 56 2HB CYS 7 3HB CYS 7 8.489 -2.553 11.785 57 H THR 8 H THR 8 9.730 -4.545 9.547 58 HA THR 8 HA THR 8 11.923 -5.919 10.950 59 HB THR 8 HB THR 8 13.205 -5.407 8.843 60 HG1 THR 8 1HG THR 8 12.165 -3.663 7.994 61 1HG2 THR 8 1HG2 THR 8 10.524 -6.804 8.438 62 2HG2 THR 8 2HG2 THR 8 11.989 -7.005 7.451 63 3HG2 THR 8 3HG2 THR 8 11.983 -7.538 9.141 64 H CYS 9 H CYS 9 10.807 -2.674 10.755 65 HA CYS 9 HA CYS 9 13.436 -1.459 11.323 66 1HB CYS 9 2HB CYS 9 12.286 0.632 11.046 67 2HB CYS 9 3HB CYS 9 11.871 -0.433 9.702 68 H SER 10 H SER 10 13.235 0.386 13.076 69 HA SER 10 HA SER 10 13.005 -0.951 15.616 70 1HB SER 10 2HB SER 10 13.439 1.998 15.025 71 2HB SER 10 3HB SER 10 13.750 1.178 16.565 72 HG SER 10 HG SER 10 15.663 1.404 15.302 73 H ARG 11 H ARG 11 11.592 -0.871 17.183 74 HA ARG 11 HA ARG 11 8.855 -0.140 16.953 75 1HB ARG 11 2HB ARG 11 9.824 -1.765 18.560 76 2HB ARG 11 3HB ARG 11 10.674 -0.474 19.389 77 1HG ARG 11 2HG ARG 11 8.525 0.531 20.103 78 2HG ARG 11 3HG ARG 11 7.634 -0.770 19.283 79 1HD ARG 11 2HD ARG 11 8.549 -2.433 20.772 80 2HD ARG 11 3HD ARG 11 9.774 -1.307 21.373 81 HE ARG 11 HE ARG 11 6.899 -0.690 21.893 82 1HH1 ARG 11 1HH2 ARG 11 9.930 -1.839 23.352 83 2HH1 ARG 11 2HH2 ARG 11 9.273 -1.482 24.955 84 1HH2 ARG 11 1HH1 ARG 11 6.313 -0.310 23.973 85 2HH2 ARG 11 2HH1 ARG 11 7.474 -0.683 25.274 86 H GLU 12 H GLU 12 11.556 1.601 18.304 87 HA GLU 12 HA GLU 12 10.340 3.798 19.565 88 1HB GLU 12 2HB GLU 12 12.744 3.192 19.653 89 2HB GLU 12 3HB GLU 12 12.920 3.655 17.962 90 1HG GLU 12 2HG GLU 12 12.173 6.032 18.706 91 2HG GLU 12 3HG GLU 12 12.400 5.454 20.358 92 H ARG 13 H ARG 13 11.279 3.553 16.082 93 HA ARG 13 HA ARG 13 10.496 6.207 15.332 94 1HB ARG 13 2HB ARG 13 11.271 3.649 13.983 95 2HB ARG 13 3HB ARG 13 10.202 4.671 13.050 96 1HG ARG 13 2HG ARG 13 12.476 5.175 12.497 97 2HG ARG 13 3HG ARG 13 11.710 6.569 13.263 98 1HD ARG 13 2HD ARG 13 12.918 6.140 15.357 99 2HD ARG 13 3HD ARG 13 13.627 4.663 14.668 100 HE ARG 13 HE ARG 13 14.240 6.707 12.867 101 1HH1 ARG 13 1HH1 ARG 13 15.149 6.211 16.289 102 2HH1 ARG 13 2HH1 ARG 13 16.652 7.030 16.012 103 1HH2 ARG 13 1HH2 ARG 13 16.143 7.753 12.713 104 2HH2 ARG 13 2HH2 ARG 13 17.185 7.892 14.097 105 H CYS 14 H CYS 14 8.605 3.172 15.342 106 HA CYS 14 HA CYS 14 6.223 4.484 14.275 107 1HB CYS 14 2HB CYS 14 6.793 2.007 14.123 108 2HB CYS 14 3HB CYS 14 6.345 1.869 15.834 109 HG CYS 14 HG CYS 14 4.356 1.085 14.294 110 H ALA 15 H ALA 15 7.337 3.586 17.548 111 HA ALA 15 HA ALA 15 5.025 4.362 19.003 112 1HB ALA 15 1HB ALA 15 6.792 2.989 19.975 113 2HB ALA 15 2HB ALA 15 7.977 4.303 19.776 114 3HB ALA 15 3HB ALA 15 6.638 4.493 20.911 115 H ASP 16 H ASP 16 7.874 6.337 17.990 116 HA ASP 16 HA ASP 16 7.250 8.718 19.383 117 1HB ASP 16 2HB ASP 16 9.374 8.234 18.211 118 2HB ASP 16 3HB ASP 16 8.556 8.366 16.656 119 H ALA 17 H ALA 17 6.047 7.571 16.215 120 HA ALA 17 HA ALA 17 4.605 9.925 15.484 121 1HB ALA 17 1HB ALA 17 4.033 7.027 14.726 122 2HB ALA 17 2HB ALA 17 3.483 8.478 13.871 123 3HB ALA 17 3HB ALA 17 5.213 8.088 13.921 124 H LEU 18 H LEU 18 3.709 7.213 17.632 125 HA LEU 18 HA LEU 18 0.934 8.060 17.970 126 1HB LEU 18 2HB LEU 18 1.303 5.751 18.093 127 2HB LEU 18 3HB LEU 18 2.808 5.915 18.975 128 HG LEU 18 HG LEU 18 1.637 6.571 20.982 129 1HD1 LEU 18 1HD1 LEU 18 -0.816 6.193 21.191 130 2HD1 LEU 18 2HD1 LEU 18 -0.488 7.486 20.034 131 3HD1 LEU 18 3HD1 LEU 18 -0.917 5.865 19.450 132 1HD2 LEU 18 1HD2 LEU 18 0.696 4.333 21.495 133 2HD2 LEU 18 2HD2 LEU 18 0.664 3.952 19.762 134 3HD2 LEU 18 3HD2 LEU 18 2.213 4.212 20.590 135 H LYS 19 H LYS 19 4.023 8.265 19.850 136 HA LYS 19 HA LYS 19 3.126 9.440 22.171 137 1HB LYS 19 2HB LYS 19 5.430 8.494 21.257 138 2HB LYS 19 3HB LYS 19 5.802 10.176 20.931 139 1HG LYS 19 2HG LYS 19 4.763 9.347 23.651 140 2HG LYS 19 3HG LYS 19 6.384 8.867 23.155 141 1HD LYS 19 2HD LYS 19 7.060 11.207 22.841 142 2HD LYS 19 3HD LYS 19 5.423 11.757 23.198 143 1HE LYS 19 2HE LYS 19 6.787 12.105 25.141 144 2HE LYS 19 3HE LYS 19 5.578 10.869 25.495 145 1HZ LYS 19 1HZ LYS 19 7.277 9.173 25.287 146 2HZ LYS 19 2HZ LYS 19 8.392 10.259 24.746 147 3HZ LYS 19 3HZ LYS 19 7.853 10.328 26.286 148 H THR 20 H THR 20 3.687 11.185 19.110 149 HA THR 20 HA THR 20 3.702 13.818 20.308 150 HB THR 20 HB THR 20 3.201 14.637 17.997 151 HG1 THR 20 1HG THR 20 3.251 13.104 16.348 152 1HG2 THR 20 1HG2 THR 20 5.349 13.969 17.028 153 2HG2 THR 20 2HG2 THR 20 5.523 14.327 18.753 154 3HG2 THR 20 3HG2 THR 20 5.494 12.641 18.199 155 H LEU 21 H LEU 21 1.034 11.649 19.674 156 HA LEU 21 HA LEU 21 -1.017 13.673 19.437 157 1HB LEU 21 2HB LEU 21 -1.158 10.750 20.285 158 2HB LEU 21 3HB LEU 21 -2.529 11.751 19.851 159 HG LEU 21 HG LEU 21 -0.285 10.925 17.952 160 1HD1 LEU 21 1HD1 LEU 21 -3.194 10.037 18.135 161 2HD1 LEU 21 2HD1 LEU 21 -2.010 9.532 16.907 162 3HD1 LEU 21 3HD1 LEU 21 -1.775 9.073 18.601 163 1HD2 LEU 21 1HD2 LEU 21 -2.866 12.471 17.431 164 2HD2 LEU 21 2HD2 LEU 21 -1.206 13.091 17.260 165 3HD2 LEU 21 3HD2 LEU 21 -1.783 11.822 16.179 166 HA PRO 22 HA PRO 22 -1.487 14.894 23.695 167 1HB PRO 22 2HB PRO 22 -4.451 14.495 23.353 168 2HB PRO 22 3HB PRO 22 -3.572 15.916 23.990 169 1HG PRO 22 2HG PRO 22 -4.585 15.934 21.469 170 2HG PRO 22 3HG PRO 22 -2.961 16.620 21.801 171 1HD PRO 22 2HD PRO 22 -3.650 13.909 20.647 172 2HD PRO 22 3HD PRO 22 -2.400 15.085 20.135 173 H ASP 23 H ASP 23 -1.411 13.817 25.659 174 HA ASP 23 HA ASP 23 -1.562 11.008 25.788 175 1HB ASP 23 2HB ASP 23 -0.307 12.496 27.338 176 2HB ASP 23 3HB ASP 23 -1.822 12.987 28.085 177 H GLU 24 H GLU 24 -4.006 13.396 26.743 178 HA GLU 24 HA GLU 24 -5.919 11.589 27.871 179 1HB GLU 24 2HB GLU 24 -5.920 14.052 28.164 180 2HB GLU 24 3HB GLU 24 -6.404 14.254 26.474 181 1HG GLU 24 2HG GLU 24 -8.525 13.096 26.905 182 2HG GLU 24 3HG GLU 24 -8.011 12.694 28.546 183 H GLU 25 H GLU 25 -5.418 12.591 24.465 184 HA GLU 25 HA GLU 25 -7.793 11.262 23.437 185 1HB GLU 25 2HB GLU 25 -5.209 12.145 22.079 186 2HB GLU 25 3HB GLU 25 -6.584 11.458 21.228 187 1HG GLU 25 2HG GLU 25 -6.704 14.012 22.891 188 2HG GLU 25 3HG GLU 25 -6.450 13.957 21.153 189 H VAL 26 H VAL 26 -4.338 10.324 23.700 190 HA VAL 26 HA VAL 26 -4.589 7.710 22.529 191 HB VAL 26 HB VAL 26 -2.610 8.871 24.534 192 1HG1 VAL 26 1HG1 VAL 26 -1.104 6.997 23.933 193 2HG1 VAL 26 2HG1 VAL 26 -2.531 6.433 24.801 194 3HG1 VAL 26 3HG1 VAL 26 -2.430 6.226 23.039 195 1HG2 VAL 26 1HG2 VAL 26 -2.574 9.910 22.288 196 2HG2 VAL 26 2HG2 VAL 26 -1.116 8.953 22.557 197 3HG2 VAL 26 3HG2 VAL 26 -2.424 8.310 21.539 198 H ASP 27 H ASP 27 -4.772 8.770 25.965 199 HA ASP 27 HA ASP 27 -5.238 6.169 27.027 200 1HB ASP 27 2HB ASP 27 -4.556 8.433 28.167 201 2HB ASP 27 3HB ASP 27 -6.291 8.689 28.329 202 H SER 28 H SER 28 -7.542 8.591 25.734 203 HA SER 28 HA SER 28 -9.915 7.387 26.723 204 1HB SER 28 2HB SER 28 -11.136 8.697 25.224 205 2HB SER 28 3HB SER 28 -9.739 9.671 25.676 206 HG SER 28 HG SER 28 -8.773 8.961 23.635 207 H ILE 29 H ILE 29 -8.009 6.548 23.826 208 HA ILE 29 HA ILE 29 -9.947 4.705 22.761 209 HB ILE 29 HB ILE 29 -6.942 4.756 22.288 210 1HG1 ILE 29 2HG1 ILE 29 -9.151 6.026 20.596 211 2HG1 ILE 29 3HG1 ILE 29 -8.138 6.930 21.713 212 1HG2 ILE 29 1HG2 ILE 29 -9.264 3.488 20.744 213 2HG2 ILE 29 2HG2 ILE 29 -7.591 3.526 20.173 214 3HG2 ILE 29 3HG2 ILE 29 -7.989 2.621 21.620 215 1HD1 ILE 29 1HD1 ILE 29 -6.104 6.236 20.448 216 2HD1 ILE 29 2HD1 ILE 29 -7.166 5.495 19.223 217 3HD1 ILE 29 3HD1 ILE 29 -7.243 7.235 19.526 218 H LEU 30 H LEU 30 -7.105 4.342 24.921 219 HA LEU 30 HA LEU 30 -7.296 1.490 25.231 220 1HB LEU 30 2HB LEU 30 -6.203 3.599 27.134 221 2HB LEU 30 3HB LEU 30 -5.924 1.867 27.269 222 HG LEU 30 HG LEU 30 -5.019 3.579 24.907 223 1HD1 LEU 30 1HD1 LEU 30 -3.462 2.461 27.268 224 2HD1 LEU 30 2HD1 LEU 30 -2.775 3.333 25.879 225 3HD1 LEU 30 3HD1 LEU 30 -3.858 4.169 26.993 226 1HD2 LEU 30 1HD2 LEU 30 -4.408 0.686 25.650 227 2HD2 LEU 30 2HD2 LEU 30 -5.324 1.249 24.232 228 3HD2 LEU 30 3HD2 LEU 30 -3.607 1.611 24.357 229 H ALA 31 H ALA 31 -8.965 4.157 26.853 230 HA ALA 31 HA ALA 31 -10.264 2.504 28.857 231 1HB ALA 31 1HB ALA 31 -10.866 5.325 27.869 232 2HB ALA 31 2HB ALA 31 -11.444 4.592 29.379 233 3HB ALA 31 3HB ALA 31 -9.713 4.910 29.161 234 H GLU 32 H GLU 32 -10.876 2.732 25.517 235 HA GLU 32 HA GLU 32 -13.759 1.970 25.876 236 1HB GLU 32 2HB GLU 32 -13.336 4.285 25.013 237 2HB GLU 32 3HB GLU 32 -12.573 3.575 23.585 238 1HG GLU 32 2HG GLU 32 -14.686 2.495 22.961 239 2HG GLU 32 3HG GLU 32 -15.426 2.986 24.488 240 H ASP 33 H ASP 33 -10.776 1.282 24.082 241 HA ASP 33 HA ASP 33 -12.006 -1.220 22.982 242 1HB ASP 33 2HB ASP 33 -10.122 0.794 21.704 243 2HB ASP 33 3HB ASP 33 -10.309 -0.842 21.104 244 H GLY 34 H GLY 34 -9.338 0.140 24.798 245 1HA GLY 34 2HA GLY 34 -7.755 -0.987 26.062 246 2HA GLY 34 3HA GLY 34 -8.323 -2.516 25.408 247 H GLU 35 H GLU 35 -7.647 -0.805 22.680 248 HA GLU 35 HA GLU 35 -4.732 -1.010 22.657 249 1HB GLU 35 2HB GLU 35 -4.641 -2.611 20.786 250 2HB GLU 35 3HB GLU 35 -5.267 -3.338 22.251 251 1HG GLU 35 2HG GLU 35 -7.603 -3.098 21.347 252 2HG GLU 35 3HG GLU 35 -6.938 -2.394 19.873 253 H ILE 36 H ILE 36 -3.779 -0.339 20.678 254 HA ILE 36 HA ILE 36 -5.389 1.479 18.937 255 HB ILE 36 HB ILE 36 -2.785 1.982 20.424 256 1HG1 ILE 36 2HG1 ILE 36 -5.313 3.676 20.276 257 2HG1 ILE 36 3HG1 ILE 36 -5.043 2.470 21.535 258 1HG2 ILE 36 1HG2 ILE 36 -3.958 3.655 18.154 259 2HG2 ILE 36 2HG2 ILE 36 -2.597 4.133 19.189 260 3HG2 ILE 36 3HG2 ILE 36 -2.419 2.760 18.122 261 1HD1 ILE 36 1HD1 ILE 36 -4.465 4.589 22.438 262 2HD1 ILE 36 2HD1 ILE 36 -2.975 3.659 22.220 263 3HD1 ILE 36 3HD1 ILE 36 -3.388 4.971 21.087 264 H ASP 37 H ASP 37 -4.910 1.375 16.833 265 HA ASP 37 HA ASP 37 -2.713 -0.420 15.861 266 1HB ASP 37 2HB ASP 37 -4.850 -1.392 15.345 267 2HB ASP 37 3HB ASP 37 -5.505 0.159 14.815 268 H MET 38 H MET 38 -1.229 0.469 14.563 269 HA MET 38 HA MET 38 -1.679 3.147 13.303 270 1HB MET 38 2HB MET 38 0.647 2.261 15.056 271 2HB MET 38 3HB MET 38 0.749 3.638 13.962 272 1HG MET 38 2HG MET 38 -1.274 3.413 16.214 273 2HG MET 38 3HG MET 38 0.271 4.253 16.322 274 1HE MET 38 1HE MET 38 -0.920 6.490 17.140 275 2HE MET 38 2HE MET 38 -2.328 7.192 16.316 276 3HE MET 38 3HE MET 38 -2.461 5.598 17.087 277 H HIS 39 H HIS 39 -0.513 3.536 11.444 278 HA HIS 39 HA HIS 39 0.577 1.146 10.063 279 1HB HIS 39 2HB HIS 39 0.395 2.600 8.040 280 2HB HIS 39 3HB HIS 39 -1.116 2.177 8.829 281 HD1 HIS 39 HD1 HIS 39 1.088 5.204 9.850 282 HD2 HIS 39 HD2 HIS 39 -2.621 4.193 8.143 283 HE1 HIS 39 HE1 HIS 39 -0.214 7.397 9.611 284 H CYS 40 H CYS 40 2.600 0.967 9.389 285 HA CYS 40 HA CYS 40 4.716 2.625 10.514 286 1HB CYS 40 2HB CYS 40 4.797 0.146 10.418 287 2HB CYS 40 3HB CYS 40 4.706 0.218 8.656 288 H ASP 41 H ASP 41 4.493 4.674 9.483 289 HA ASP 41 HA ASP 41 4.162 5.099 6.686 290 1HB ASP 41 2HB ASP 41 3.814 6.776 8.504 291 2HB ASP 41 3HB ASP 41 5.562 6.869 8.729 292 H TYR 42 H TYR 42 6.943 4.099 8.440 293 HA TYR 42 HA TYR 42 9.049 4.965 6.679 294 1HB TYR 42 2HB TYR 42 8.958 2.780 8.799 295 2HB TYR 42 3HB TYR 42 10.392 3.495 8.115 296 HD1 TYR 42 HD1 TYR 42 10.948 5.926 8.635 297 HD2 TYR 42 HD2 TYR 42 7.675 3.856 10.543 298 HE1 TYR 42 HE1 TYR 42 10.819 7.716 10.371 299 HE2 TYR 42 HE2 TYR 42 7.516 5.668 12.239 300 HH TYR 42 HH TYR 42 8.449 7.592 13.055 301 H CYS 43 H CYS 43 7.336 1.864 7.109 302 HA CYS 43 HA CYS 43 8.717 0.734 4.697 303 1HB CYS 43 2HB CYS 43 7.597 -0.794 7.065 304 2HB CYS 43 3HB CYS 43 8.647 -1.405 5.790 305 H GLY 44 H GLY 44 5.539 1.369 6.011 306 1HA GLY 44 2HA GLY 44 3.554 1.303 4.731 307 2HA GLY 44 3HA GLY 44 4.223 0.046 3.688 308 H ASN 45 H ASN 45 4.956 -0.826 6.794 309 HA ASN 45 HA ASN 45 2.971 -2.954 6.949 310 1HB ASN 45 2HB ASN 45 5.509 -3.081 7.417 311 2HB ASN 45 3HB ASN 45 5.188 -2.183 8.893 312 1HD2 ASN 45 2HD2 ASN 45 5.949 -3.955 10.164 313 2HD2 ASN 45 1HD2 ASN 45 4.923 -5.371 10.401 314 H HIS 46 H HIS 46 2.627 -3.283 9.713 315 HA HIS 46 HA HIS 46 1.214 -0.912 10.782 316 1HB HIS 46 2HB HIS 46 0.099 -3.597 10.043 317 2HB HIS 46 3HB HIS 46 -0.373 -2.955 11.599 318 HD1 HIS 46 HD1 HIS 46 -2.364 -1.266 11.567 319 HD2 HIS 46 HD2 HIS 46 -0.384 -1.740 7.869 320 HE1 HIS 46 HE1 HIS 46 -3.673 0.102 9.869 321 H TYR 47 H TYR 47 0.730 -1.161 13.143 322 HA TYR 47 HA TYR 47 2.469 -2.949 14.724 323 1HB TYR 47 2HB TYR 47 2.644 0.077 14.525 324 2HB TYR 47 3HB TYR 47 2.886 -0.700 16.066 325 HD1 TYR 47 HD1 TYR 47 4.320 -0.465 12.624 326 HD2 TYR 47 HD2 TYR 47 4.898 -1.683 16.721 327 HE1 TYR 47 HE1 TYR 47 6.778 -0.578 12.240 328 HE2 TYR 47 HE2 TYR 47 7.355 -1.778 16.343 329 HH TYR 47 HH TYR 47 8.850 -0.916 13.230 330 H LEU 48 H LEU 48 1.538 -3.337 16.695 331 HA LEU 48 HA LEU 48 -1.057 -1.991 17.263 332 1HB LEU 48 2HB LEU 48 -0.141 -4.811 17.976 333 2HB LEU 48 3HB LEU 48 -1.682 -4.103 18.446 334 HG LEU 48 HG LEU 48 -0.808 -4.661 15.571 335 1HD1 LEU 48 1HD1 LEU 48 -1.249 -6.709 16.881 336 2HD1 LEU 48 2HD1 LEU 48 -2.843 -6.072 17.340 337 3HD1 LEU 48 3HD1 LEU 48 -2.483 -6.447 15.640 338 1HD2 LEU 48 1HD2 LEU 48 -3.479 -3.702 16.699 339 2HD2 LEU 48 2HD2 LEU 48 -2.384 -2.779 15.643 340 3HD2 LEU 48 3HD2 LEU 48 -3.193 -4.216 15.020 341 H PHE 49 H PHE 49 -1.424 -1.238 19.362 342 HA PHE 49 HA PHE 49 0.775 -1.503 21.379 343 1HB PHE 49 2HB PHE 49 -0.598 1.076 20.531 344 2HB PHE 49 3HB PHE 49 0.536 0.905 21.856 345 HD1 PHE 49 HD1 PHE 49 2.959 0.462 21.428 346 HD2 PHE 49 HD2 PHE 49 0.185 1.283 18.230 347 HE1 PHE 49 HE1 PHE 49 4.855 0.992 19.922 348 HE2 PHE 49 HE2 PHE 49 2.094 1.838 16.735 349 HZ PHE 49 HZ PHE 49 4.423 1.687 17.572 350 H ASN 50 H ASN 50 0.169 -1.545 23.462 351 HA ASN 50 HA ASN 50 -2.683 -1.185 24.258 352 1HB ASN 50 2HB ASN 50 -2.434 -3.533 24.117 353 2HB ASN 50 3HB ASN 50 -0.815 -3.504 24.835 354 1HD2 ASN 50 2HD2 ASN 50 -4.310 -2.982 25.639 355 2HD2 ASN 50 1HD2 ASN 50 -4.066 -3.470 27.309 356 H ALA 51 H ALA 51 -2.754 -1.116 26.703 357 HA ALA 51 HA ALA 51 -1.478 1.246 27.624 358 1HB ALA 51 1HB ALA 51 -2.755 -1.006 29.241 359 2HB ALA 51 2HB ALA 51 -2.461 0.653 29.802 360 3HB ALA 51 3HB ALA 51 -3.621 0.355 28.494 361 H MET 52 H MET 52 -0.499 -2.188 28.197 362 HA MET 52 HA MET 52 1.610 -1.500 30.031 363 1HB MET 52 2HB MET 52 2.280 -3.748 29.950 364 2HB MET 52 3HB MET 52 0.532 -3.725 29.860 365 1HG MET 52 2HG MET 52 1.040 -5.350 28.321 366 2HG MET 52 3HG MET 52 0.850 -3.946 27.286 367 1HE MET 52 1HE MET 52 3.979 -5.196 29.541 368 2HE MET 52 2HE MET 52 3.233 -6.632 28.801 369 3HE MET 52 3HE MET 52 4.847 -6.098 28.286 370 H ASP 53 H ASP 53 1.562 -1.766 26.499 371 HA ASP 53 HA ASP 53 4.431 -1.489 26.134 372 1HB ASP 53 2HB ASP 53 2.632 -2.496 24.569 373 2HB ASP 53 3HB ASP 53 2.259 -0.842 24.101 374 H ILE 54 H ILE 54 1.625 0.685 25.910 375 HA ILE 54 HA ILE 54 2.985 3.092 25.258 376 HB ILE 54 HB ILE 54 0.253 2.423 26.357 377 1HG1 ILE 54 2HG1 ILE 54 1.226 3.650 23.734 378 2HG1 ILE 54 3HG1 ILE 54 1.035 1.919 23.959 379 1HG2 ILE 54 1HG2 ILE 54 -0.414 4.787 25.982 380 2HG2 ILE 54 2HG2 ILE 54 0.747 4.635 27.289 381 3HG2 ILE 54 3HG2 ILE 54 1.288 5.216 25.696 382 1HD1 ILE 54 1HD1 ILE 54 -1.219 3.946 24.050 383 2HD1 ILE 54 2HD1 ILE 54 -0.873 2.759 22.783 384 3HD1 ILE 54 3HD1 ILE 54 -1.369 2.198 24.388 385 H ALA 55 H ALA 55 2.428 1.555 28.386 386 HA ALA 55 HA ALA 55 3.134 3.759 30.054 387 1HB ALA 55 1HB ALA 55 3.702 2.039 31.719 388 2HB ALA 55 2HB ALA 55 2.184 1.639 30.892 389 3HB ALA 55 3HB ALA 55 3.686 0.790 30.459 390 H GLU 56 H GLU 56 5.216 1.574 28.131 391 HA GLU 56 HA GLU 56 7.717 2.640 29.246 392 1HB GLU 56 2HB GLU 56 7.249 1.063 26.684 393 2HB GLU 56 3HB GLU 56 8.805 1.445 27.419 394 1HG GLU 56 2HG GLU 56 8.057 0.203 29.493 395 2HG GLU 56 3HG GLU 56 6.643 -0.350 28.583 396 H ILE 57 H ILE 57 5.773 3.186 26.267 397 HA ILE 57 HA ILE 57 7.470 5.094 25.011 398 HB ILE 57 HB ILE 57 4.454 4.716 24.930 399 1HG1 ILE 57 2HG1 ILE 57 6.639 3.736 23.039 400 2HG1 ILE 57 3HG1 ILE 57 5.866 2.739 24.254 401 1HG2 ILE 57 1HG2 ILE 57 4.499 5.949 22.773 402 2HG2 ILE 57 2HG2 ILE 57 4.984 6.963 24.115 403 3HG2 ILE 57 3HG2 ILE 57 6.224 6.299 23.019 404 1HD1 ILE 57 1HD1 ILE 57 4.457 3.934 21.848 405 2HD1 ILE 57 2HD1 ILE 57 4.873 2.242 22.147 406 3HD1 ILE 57 3HD1 ILE 57 3.669 3.040 23.170 407 H ARG 58 H ARG 58 5.031 5.496 27.513 408 HA ARG 58 HA ARG 58 5.024 8.393 27.681 409 1HB ARG 58 2HB ARG 58 4.169 6.128 29.528 410 2HB ARG 58 3HB ARG 58 4.100 7.809 30.056 411 1HG ARG 58 2HG ARG 58 2.568 8.418 28.307 412 2HG ARG 58 3HG ARG 58 2.689 6.826 27.540 413 1HD ARG 58 2HD ARG 58 1.593 5.741 29.367 414 2HD ARG 58 3HD ARG 58 1.746 7.165 30.411 415 HE ARG 58 HE ARG 58 0.231 8.257 28.508 416 1HH1 ARG 58 1HH1 ARG 58 -0.354 5.147 30.108 417 2HH1 ARG 58 2HH1 ARG 58 -2.081 5.380 29.934 418 1HH2 ARG 58 1HH2 ARG 58 -1.830 8.421 28.438 419 2HH2 ARG 58 2HH2 ARG 58 -2.903 7.137 29.055 420 H ASN 59 H ASN 59 7.326 6.079 28.640 421 HA ASN 59 HA ASN 59 8.880 8.041 30.273 422 1HB ASN 59 2HB ASN 59 8.587 5.012 30.554 423 2HB ASN 59 3HB ASN 59 9.817 5.961 31.385 424 1HD2 ASN 59 2HD2 ASN 59 6.430 5.061 31.410 425 2HD2 ASN 59 1HD2 ASN 59 6.057 5.965 32.875 426 H ASN 60 H ASN 60 8.764 7.561 27.333 427 HA ASN 60 HA ASN 60 10.008 7.244 25.497 428 1HB ASN 60 2HB ASN 60 10.835 9.347 26.601 429 2HB ASN 60 3HB ASN 60 12.151 8.411 27.292 430 1HD2 ASN 60 2HD2 ASN 60 13.935 9.255 26.164 431 2HD2 ASN 60 1HD2 ASN 60 14.029 9.290 24.409 432 H ALA 61 H ALA 61 9.828 4.858 26.967 433 HA ALA 61 HA ALA 61 10.656 2.797 27.250 434 1HB ALA 61 1HB ALA 61 11.597 1.777 25.248 435 2HB ALA 61 2HB ALA 61 10.314 2.920 24.817 436 3HB ALA 61 3HB ALA 61 12.020 3.376 24.598 437 H SER 62 H SER 62 12.162 4.719 28.682 438 HA SER 62 HA SER 62 14.959 4.476 28.672 439 1HB SER 62 2HB SER 62 13.110 4.837 31.063 440 2HB SER 62 3HB SER 62 14.858 5.122 31.053 441 HG SER 62 HG SER 62 12.819 6.519 29.643 Start of MODEL 6 1 1H MET 1 H1 MET 1 -17.219 -24.445 13.695 2 2H MET 1 H2 MET 1 -17.112 -25.415 12.380 3 3H MET 1 H3 MET 1 -17.157 -26.077 13.870 4 HA MET 1 HA MET 1 -15.004 -24.411 12.761 5 1HB MET 1 2HB MET 1 -13.733 -24.764 14.781 6 2HB MET 1 3HB MET 1 -15.261 -23.988 15.167 7 1HG MET 1 2HG MET 1 -16.169 -26.164 15.955 8 2HG MET 1 3HG MET 1 -14.634 -26.947 15.554 9 1HE MET 1 1HE MET 1 -14.593 -27.970 18.007 10 2HE MET 1 2HE MET 1 -14.718 -26.990 19.484 11 3HE MET 1 3HE MET 1 -16.114 -27.132 18.394 12 H ASP 2 H ASP 2 -12.907 -25.564 12.603 13 HA ASP 2 HA ASP 2 -13.045 -28.504 12.242 14 1HB ASP 2 2HB ASP 2 -13.717 -27.571 10.067 15 2HB ASP 2 3HB ASP 2 -12.310 -26.507 10.059 16 H VAL 3 H VAL 3 -11.119 -29.504 12.647 17 HA VAL 3 HA VAL 3 -8.559 -28.104 12.717 18 HB VAL 3 HB VAL 3 -9.595 -27.468 14.882 19 1HG1 VAL 3 1HG1 VAL 3 -10.962 -29.486 15.324 20 2HG1 VAL 3 2HG1 VAL 3 -9.477 -30.415 15.631 21 3HG1 VAL 3 3HG1 VAL 3 -9.916 -29.057 16.684 22 1HG2 VAL 3 1HG2 VAL 3 -7.132 -27.665 14.655 23 2HG2 VAL 3 2HG2 VAL 3 -7.730 -27.925 16.300 24 3HG2 VAL 3 3HG2 VAL 3 -7.228 -29.315 15.326 25 H GLU 4 H GLU 4 -6.768 -29.536 12.909 26 HA GLU 4 HA GLU 4 -7.208 -32.453 13.036 27 1HB GLU 4 2HB GLU 4 -7.576 -31.754 10.630 28 2HB GLU 4 3HB GLU 4 -5.932 -31.111 10.611 29 1HG GLU 4 2HG GLU 4 -5.113 -33.450 11.193 30 2HG GLU 4 3HG GLU 4 -6.775 -34.013 11.034 31 H PHE 5 H PHE 5 -5.463 -33.447 13.988 32 HA PHE 5 HA PHE 5 -3.238 -31.860 14.977 33 1HB PHE 5 2HB PHE 5 -2.478 -34.017 15.931 34 2HB PHE 5 3HB PHE 5 -4.118 -33.589 16.367 35 HD1 PHE 5 HD1 PHE 5 -2.066 -35.864 14.220 36 HD2 PHE 5 HD2 PHE 5 -5.986 -35.008 15.814 37 HE1 PHE 5 HE1 PHE 5 -2.872 -38.073 13.435 38 HE2 PHE 5 HE2 PHE 5 -6.783 -37.225 15.031 39 HZ PHE 5 HZ PHE 5 -5.229 -38.760 13.837 40 H LYS 6 H LYS 6 -0.997 -32.220 14.567 41 HA LYS 6 HA LYS 6 -0.219 -33.533 12.016 42 1HB LYS 6 2HB LYS 6 -0.295 -30.637 12.532 43 2HB LYS 6 3HB LYS 6 1.356 -31.167 12.315 44 1HG LYS 6 2HG LYS 6 0.651 -30.533 10.191 45 2HG LYS 6 3HG LYS 6 0.655 -32.297 10.151 46 1HD LYS 6 2HD LYS 6 -1.809 -32.314 10.403 47 2HD LYS 6 3HD LYS 6 -1.816 -30.545 10.576 48 1HE LYS 6 2HE LYS 6 -0.776 -30.399 8.279 49 2HE LYS 6 3HE LYS 6 -0.942 -32.154 8.133 50 1HZ LYS 6 1HZ LYS 6 -2.816 -31.023 7.103 51 2HZ LYS 6 2HZ LYS 6 -3.376 -31.863 8.386 52 3HZ LYS 6 3HZ LYS 6 -3.190 -30.241 8.486 53 H CYS 7 H CYS 7 1.957 -34.002 11.859 54 HA CYS 7 HA CYS 7 3.176 -35.093 14.225 55 1HB CYS 7 2HB CYS 7 3.255 -35.621 11.527 56 2HB CYS 7 3HB CYS 7 4.765 -34.734 11.702 57 H THR 8 H THR 8 5.233 -34.516 15.203 58 HA THR 8 HA THR 8 5.973 -31.647 14.964 59 HB THR 8 HB THR 8 7.365 -32.010 16.910 60 HG1 THR 8 1HG THR 8 7.309 -33.978 17.981 61 1HG2 THR 8 1HG2 THR 8 5.634 -32.392 18.577 62 2HG2 THR 8 2HG2 THR 8 4.965 -31.443 17.240 63 3HG2 THR 8 3HG2 THR 8 4.587 -33.175 17.374 64 H CYS 9 H CYS 9 6.929 -34.620 13.636 65 HA CYS 9 HA CYS 9 9.551 -33.576 12.748 66 1HB CYS 9 2HB CYS 9 10.326 -35.894 12.845 67 2HB CYS 9 3HB CYS 9 9.873 -35.255 14.427 68 H SER 10 H SER 10 8.827 -36.538 11.310 69 HA SER 10 HA SER 10 7.158 -35.609 9.094 70 1HB SER 10 2HB SER 10 10.177 -35.846 8.781 71 2HB SER 10 3HB SER 10 9.096 -36.091 7.404 72 HG SER 10 HG SER 10 8.815 -33.792 9.004 73 H ARG 11 H ARG 11 6.907 -37.152 7.378 74 HA ARG 11 HA ARG 11 6.265 -39.786 8.143 75 1HB ARG 11 2HB ARG 11 5.481 -38.449 6.137 76 2HB ARG 11 3HB ARG 11 7.014 -38.782 5.355 77 1HG ARG 11 2HG ARG 11 6.543 -41.231 5.434 78 2HG ARG 11 3HG ARG 11 4.989 -40.902 6.219 79 1HD ARG 11 2HD ARG 11 4.251 -39.636 4.216 80 2HD ARG 11 3HD ARG 11 5.840 -39.849 3.484 81 HE ARG 11 HE ARG 11 5.327 -42.033 2.890 82 1HH1 ARG 11 1HH1 ARG 11 2.712 -40.939 4.982 83 2HH1 ARG 11 2HH1 ARG 11 1.799 -42.410 4.652 84 1HH2 ARG 11 1HH2 ARG 11 4.039 -43.790 2.539 85 2HH2 ARG 11 2HH2 ARG 11 2.498 -43.890 3.405 86 H GLU 12 H GLU 12 9.235 -38.558 6.801 87 HA GLU 12 HA GLU 12 10.544 -40.914 5.983 88 1HB GLU 12 2HB GLU 12 11.279 -38.560 5.606 89 2HB GLU 12 3HB GLU 12 11.787 -38.458 7.293 90 1HG GLU 12 2HG GLU 12 13.447 -40.255 6.917 91 2HG GLU 12 3HG GLU 12 12.886 -40.445 5.253 92 H ARG 13 H ARG 13 10.330 -39.575 9.306 93 HA ARG 13 HA ARG 13 12.135 -41.545 10.493 94 1HB ARG 13 2HB ARG 13 9.945 -39.866 11.806 95 2HB ARG 13 3HB ARG 13 11.191 -40.810 12.628 96 1HG ARG 13 2HG ARG 13 12.940 -39.384 11.426 97 2HG ARG 13 3HG ARG 13 11.602 -38.351 10.893 98 1HD ARG 13 2HD ARG 13 12.447 -37.315 12.860 99 2HD ARG 13 3HD ARG 13 10.947 -38.101 13.334 100 HE ARG 13 HE ARG 13 12.118 -39.658 14.631 101 1HH1 ARG 13 1HH1 ARG 13 14.474 -37.696 12.917 102 2HH1 ARG 13 2HH1 ARG 13 15.786 -38.244 13.922 103 1HH2 ARG 13 2HH2 ARG 13 13.832 -40.309 15.851 104 2HH2 ARG 13 1HH2 ARG 13 15.427 -39.678 15.545 105 H CYS 14 H CYS 14 8.615 -41.381 10.047 106 HA CYS 14 HA CYS 14 8.018 -43.846 11.430 107 1HB CYS 14 2HB CYS 14 6.464 -41.889 10.828 108 2HB CYS 14 3HB CYS 14 6.396 -42.565 9.189 109 HG CYS 14 HG CYS 14 5.724 -45.019 10.029 110 H ALA 15 H ALA 15 8.738 -43.044 8.032 111 HA ALA 15 HA ALA 15 8.356 -45.638 6.893 112 1HB ALA 15 1HB ALA 15 9.625 -44.724 5.010 113 2HB ALA 15 2HB ALA 15 8.499 -43.490 5.614 114 3HB ALA 15 3HB ALA 15 10.226 -43.390 6.010 115 H ASP 16 H ASP 16 11.296 -44.050 8.272 116 HA ASP 16 HA ASP 16 13.132 -46.166 7.791 117 1HB ASP 16 2HB ASP 16 13.727 -43.856 8.458 118 2HB ASP 16 3HB ASP 16 13.075 -44.151 10.068 119 H ALA 17 H ALA 17 10.918 -45.606 10.554 120 HA ALA 17 HA ALA 17 11.792 -47.870 12.088 121 1HB ALA 17 1HB ALA 17 9.724 -47.476 13.369 122 2HB ALA 17 2HB ALA 17 10.560 -45.947 13.038 123 3HB ALA 17 3HB ALA 17 9.119 -46.393 12.098 124 H LEU 18 H LEU 18 9.364 -47.614 9.428 125 HA LEU 18 HA LEU 18 8.319 -50.293 9.826 126 1HB LEU 18 2HB LEU 18 6.861 -48.619 9.019 127 2HB LEU 18 3HB LEU 18 8.040 -47.995 7.873 128 HG LEU 18 HG LEU 18 7.832 -49.963 6.510 129 1HD1 LEU 18 1HD1 LEU 18 7.062 -51.671 8.142 130 2HD1 LEU 18 2HD1 LEU 18 5.560 -50.763 8.402 131 3HD1 LEU 18 3HD1 LEU 18 5.886 -51.529 6.833 132 1HD2 LEU 18 1HD2 LEU 18 6.445 -47.982 6.061 133 2HD2 LEU 18 2HD2 LEU 18 5.588 -49.462 5.604 134 3HD2 LEU 18 3HD2 LEU 18 5.164 -48.623 7.112 135 H LYS 19 H LYS 19 10.611 -48.746 7.435 136 HA LYS 19 HA LYS 19 10.972 -51.073 5.886 137 1HB LYS 19 2HB LYS 19 12.321 -49.753 4.643 138 2HB LYS 19 3HB LYS 19 11.393 -48.526 5.448 139 1HG LYS 19 2HG LYS 19 13.318 -48.362 7.144 140 2HG LYS 19 3HG LYS 19 14.242 -49.412 6.061 141 1HD LYS 19 2HD LYS 19 13.886 -47.707 4.218 142 2HD LYS 19 3HD LYS 19 13.078 -46.675 5.408 143 1HE LYS 19 2HE LYS 19 15.294 -45.864 5.333 144 2HE LYS 19 3HE LYS 19 15.202 -46.815 6.820 145 1HZ LYS 19 1HZ LYS 19 16.358 -47.697 4.232 146 2HZ LYS 19 2HZ LYS 19 17.210 -47.336 5.581 147 3HZ LYS 19 3HZ LYS 19 16.249 -48.667 5.541 148 H THR 20 H THR 20 12.490 -50.220 8.900 149 HA THR 20 HA THR 20 14.777 -52.018 8.559 150 HB THR 20 HB THR 20 15.099 -51.568 11.045 151 HG1 THR 20 1HG THR 20 13.400 -49.385 10.633 152 1HG2 THR 20 1HG2 THR 20 16.388 -50.374 9.371 153 2HG2 THR 20 2HG2 THR 20 15.055 -49.245 9.066 154 3HG2 THR 20 3HG2 THR 20 15.890 -49.241 10.638 155 H LEU 21 H LEU 21 11.494 -52.614 9.311 156 HA LEU 21 HA LEU 21 11.869 -54.957 10.999 157 1HB LEU 21 2HB LEU 21 9.554 -54.066 9.217 158 2HB LEU 21 3HB LEU 21 9.472 -55.333 10.418 159 HG LEU 21 HG LEU 21 9.948 -52.390 11.026 160 1HD1 LEU 21 1HD1 LEU 21 7.668 -52.886 10.224 161 2HD1 LEU 21 2HD1 LEU 21 7.501 -54.148 11.464 162 3HD1 LEU 21 3HD1 LEU 21 7.675 -52.441 11.937 163 1HD2 LEU 21 1HD2 LEU 21 9.517 -54.765 12.893 164 2HD2 LEU 21 2HD2 LEU 21 11.001 -53.791 12.745 165 3HD2 LEU 21 3HD2 LEU 21 9.529 -53.056 13.385 166 HA PRO 22 HA PRO 22 12.854 -58.055 7.943 167 1HB PRO 22 2HB PRO 22 10.403 -59.590 8.810 168 2HB PRO 22 3HB PRO 22 12.083 -60.169 8.602 169 1HG PRO 22 2HG PRO 22 11.103 -59.664 11.079 170 2HG PRO 22 3HG PRO 22 12.765 -59.145 10.648 171 1HD PRO 22 2HD PRO 22 10.237 -57.484 10.718 172 2HD PRO 22 3HD PRO 22 11.868 -57.091 11.345 173 H ASP 23 H ASP 23 12.530 -57.837 5.777 174 HA ASP 23 HA ASP 23 10.401 -56.445 4.617 175 1HB ASP 23 2HB ASP 23 12.669 -56.871 3.648 176 2HB ASP 23 3HB ASP 23 12.171 -58.511 3.254 177 H GLU 24 H GLU 24 10.758 -59.958 4.926 178 HA GLU 24 HA GLU 24 8.463 -60.733 3.396 179 1HB GLU 24 2HB GLU 24 10.343 -62.217 4.079 180 2HB GLU 24 3HB GLU 24 9.755 -62.177 5.748 181 1HG GLU 24 2HG GLU 24 7.650 -63.258 5.054 182 2HG GLU 24 3HG GLU 24 8.136 -63.172 3.358 183 H GLU 25 H GLU 25 8.712 -59.743 6.834 184 HA GLU 25 HA GLU 25 6.018 -60.521 7.555 185 1HB GLU 25 2HB GLU 25 7.999 -60.117 9.112 186 2HB GLU 25 3HB GLU 25 7.811 -58.393 8.799 187 1HG GLU 25 2HG GLU 25 6.764 -58.853 10.856 188 2HG GLU 25 3HG GLU 25 5.471 -58.526 9.711 189 H VAL 26 H VAL 26 7.537 -57.514 6.372 190 HA VAL 26 HA VAL 26 5.170 -55.847 6.431 191 HB VAL 26 HB VAL 26 7.721 -55.675 4.766 192 1HG1 VAL 26 1HG1 VAL 26 5.920 -54.341 3.692 193 2HG1 VAL 26 2HG1 VAL 26 5.637 -53.514 5.241 194 3HG1 VAL 26 3HG1 VAL 26 7.179 -53.320 4.391 195 1HG2 VAL 26 1HG2 VAL 26 8.128 -55.477 7.196 196 2HG2 VAL 26 2HG2 VAL 26 8.358 -53.920 6.399 197 3HG2 VAL 26 3HG2 VAL 26 6.869 -54.232 7.317 198 H ASP 27 H ASP 27 6.703 -57.812 3.838 199 HA ASP 27 HA ASP 27 4.807 -57.254 1.806 200 1HB ASP 27 2HB ASP 27 7.154 -58.419 1.736 201 2HB ASP 27 3HB ASP 27 6.260 -59.904 2.026 202 H SER 28 H SER 28 4.740 -59.725 4.380 203 HA SER 28 HA SER 28 2.594 -61.312 3.393 204 1HB SER 28 2HB SER 28 3.404 -60.727 6.268 205 2HB SER 28 3HB SER 28 2.246 -61.969 5.767 206 HG SER 28 HG SER 28 5.005 -61.798 5.065 207 H ILE 29 H ILE 29 2.482 -58.286 5.340 208 HA ILE 29 HA ILE 29 -0.382 -58.351 5.666 209 HB ILE 29 HB ILE 29 1.442 -55.920 5.781 210 1HG1 ILE 29 2HG1 ILE 29 0.504 -57.634 8.130 211 2HG1 ILE 29 3HG1 ILE 29 2.091 -57.808 7.391 212 1HG2 ILE 29 1HG2 ILE 29 -1.374 -56.488 6.848 213 2HG2 ILE 29 2HG2 ILE 29 -0.453 -55.032 7.236 214 3HG2 ILE 29 3HG2 ILE 29 -0.940 -55.327 5.577 215 1HD1 ILE 29 1HD1 ILE 29 1.087 -55.317 8.806 216 2HD1 ILE 29 2HD1 ILE 29 2.336 -56.448 9.341 217 3HD1 ILE 29 3HD1 ILE 29 2.623 -55.438 7.913 218 H LEU 30 H LEU 30 1.819 -56.766 3.318 219 HA LEU 30 HA LEU 30 -0.190 -55.422 1.791 220 1HB LEU 30 2HB LEU 30 2.523 -56.513 0.941 221 2HB LEU 30 3HB LEU 30 1.535 -55.417 -0.016 222 HG LEU 30 HG LEU 30 2.711 -54.762 2.724 223 1HD1 LEU 30 1HD1 LEU 30 4.171 -53.240 1.400 224 2HD1 LEU 30 2HD1 LEU 30 4.441 -54.946 1.024 225 3HD1 LEU 30 3HD1 LEU 30 3.506 -53.937 -0.095 226 1HD2 LEU 30 1HD2 LEU 30 2.036 -52.435 2.174 227 2HD2 LEU 30 2HD2 LEU 30 1.174 -53.040 0.743 228 3HD2 LEU 30 3HD2 LEU 30 0.659 -53.499 2.385 229 H ALA 31 H ALA 31 1.030 -58.757 1.567 230 HA ALA 31 HA ALA 31 -0.412 -59.472 -0.809 231 1HB ALA 31 1HB ALA 31 0.251 -61.756 -0.180 232 2HB ALA 31 2HB ALA 31 1.608 -60.633 0.014 233 3HB ALA 31 3HB ALA 31 0.708 -61.197 1.442 234 H GLU 32 H GLU 32 -1.693 -58.839 2.306 235 HA GLU 32 HA GLU 32 -4.157 -60.444 1.692 236 1HB GLU 32 2HB GLU 32 -2.857 -59.955 4.395 237 2HB GLU 32 3HB GLU 32 -4.469 -60.638 4.152 238 1HG GLU 32 2HG GLU 32 -3.419 -62.461 2.744 239 2HG GLU 32 3HG GLU 32 -1.836 -61.869 3.248 240 H ASP 33 H ASP 33 -2.957 -57.270 2.585 241 HA ASP 33 HA ASP 33 -5.772 -56.268 2.465 242 1HB ASP 33 2HB ASP 33 -4.789 -56.558 4.859 243 2HB ASP 33 3HB ASP 33 -3.771 -55.183 4.464 244 H GLY 34 H GLY 34 -2.528 -55.821 1.401 245 1HA GLY 34 2HA GLY 34 -1.686 -54.389 -0.181 246 2HA GLY 34 3HA GLY 34 -3.265 -53.625 -0.310 247 H GLU 35 H GLU 35 -2.656 -53.227 2.895 248 HA GLU 35 HA GLU 35 -0.718 -51.031 2.736 249 1HB GLU 35 2HB GLU 35 -2.303 -49.341 3.631 250 2HB GLU 35 3HB GLU 35 -2.639 -49.833 1.986 251 1HG GLU 35 2HG GLU 35 -4.463 -51.349 2.847 252 2HG GLU 35 3HG GLU 35 -4.107 -50.791 4.484 253 H ILE 36 H ILE 36 -0.239 -50.000 4.728 254 HA ILE 36 HA ILE 36 -0.733 -51.548 7.229 255 HB ILE 36 HB ILE 36 1.973 -50.626 6.160 256 1HG1 ILE 36 2HG1 ILE 36 1.087 -53.500 6.609 257 2HG1 ILE 36 3HG1 ILE 36 1.057 -52.718 5.030 258 1HG2 ILE 36 1HG2 ILE 36 1.832 -50.462 8.633 259 2HG2 ILE 36 2HG2 ILE 36 1.279 -52.149 8.719 260 3HG2 ILE 36 3HG2 ILE 36 2.918 -51.750 8.169 261 1HD1 ILE 36 1HD1 ILE 36 3.531 -53.281 6.679 262 2HD1 ILE 36 2HD1 ILE 36 3.053 -53.973 5.121 263 3HD1 ILE 36 3HD1 ILE 36 3.496 -52.258 5.221 264 H ASP 37 H ASP 37 -1.284 -50.194 8.826 265 HA ASP 37 HA ASP 37 -0.705 -47.266 8.652 266 1HB ASP 37 2HB ASP 37 -3.022 -47.906 9.136 267 2HB ASP 37 3HB ASP 37 -2.495 -48.867 10.520 268 H MET 38 H MET 38 1.173 -46.635 9.536 269 HA MET 38 HA MET 38 2.457 -48.294 11.662 270 1HB MET 38 2HB MET 38 3.610 -48.024 9.453 271 2HB MET 38 3HB MET 38 3.661 -46.282 9.734 272 1HG MET 38 2HG MET 38 5.793 -47.224 10.316 273 2HG MET 38 3HG MET 38 5.021 -46.682 11.792 274 1HE MET 38 1HE MET 38 7.531 -48.428 11.865 275 2HE MET 38 2HE MET 38 6.645 -47.983 13.340 276 3HE MET 38 3HE MET 38 7.126 -49.674 13.067 277 H HIS 39 H HIS 39 3.260 -47.381 13.507 278 HA HIS 39 HA HIS 39 2.112 -44.776 14.337 279 1HB HIS 39 2HB HIS 39 1.666 -46.740 15.707 280 2HB HIS 39 3HB HIS 39 3.389 -47.089 15.841 281 HD1 HIS 39 HD1 HIS 39 4.404 -46.249 18.066 282 HD2 HIS 39 HD2 HIS 39 1.026 -44.085 16.790 283 HE1 HIS 39 HE1 HIS 39 3.909 -44.550 19.900 284 H CYS 40 H CYS 40 3.267 -43.021 14.729 285 HA CYS 40 HA CYS 40 6.134 -42.875 14.179 286 1HB CYS 40 2HB CYS 40 4.307 -41.194 13.444 287 2HB CYS 40 3HB CYS 40 4.267 -40.672 15.124 288 H ASP 41 H ASP 41 6.624 -44.359 16.000 289 HA ASP 41 HA ASP 41 6.062 -43.979 18.695 290 1HB ASP 41 2HB ASP 41 7.159 -45.946 17.574 291 2HB ASP 41 3HB ASP 41 8.673 -45.039 17.559 292 H TYR 42 H TYR 42 8.182 -42.009 16.828 293 HA TYR 42 HA TYR 42 9.887 -40.932 18.855 294 1HB TYR 42 2HB TYR 42 8.934 -39.900 16.154 295 2HB TYR 42 3HB TYR 42 10.175 -39.134 17.117 296 HD1 TYR 42 HD1 TYR 42 12.164 -40.747 17.917 297 HD2 TYR 42 HD2 TYR 42 9.541 -41.577 14.590 298 HE1 TYR 42 HE1 TYR 42 13.780 -42.444 17.066 299 HE2 TYR 42 HE2 TYR 42 11.174 -43.259 13.733 300 HH TYR 42 HH TYR 42 14.240 -43.986 15.437 301 H CYS 43 H CYS 43 6.670 -39.906 17.703 302 HA CYS 43 HA CYS 43 6.510 -38.051 20.027 303 1HB CYS 43 2HB CYS 43 5.534 -36.293 18.631 304 2HB CYS 43 3HB CYS 43 7.211 -36.656 18.226 305 H GLY 44 H GLY 44 4.695 -40.295 18.022 306 1HA GLY 44 2HA GLY 44 2.882 -41.375 19.256 307 2HA GLY 44 3HA GLY 44 2.307 -39.806 19.790 308 H ASN 45 H ASN 45 3.109 -39.327 16.617 309 HA ASN 45 HA ASN 45 0.339 -39.349 15.708 310 1HB ASN 45 2HB ASN 45 2.102 -37.597 15.194 311 2HB ASN 45 3HB ASN 45 2.926 -38.794 14.196 312 1HD2 ASN 45 2HD2 ASN 45 2.665 -37.355 12.390 313 2HD2 ASN 45 1HD2 ASN 45 1.098 -37.254 11.580 314 H HIS 46 H HIS 46 0.275 -40.173 13.133 315 HA HIS 46 HA HIS 46 1.460 -42.849 12.847 316 1HB HIS 46 2HB HIS 46 -0.541 -44.024 12.539 317 2HB HIS 46 3HB HIS 46 -0.793 -43.114 14.018 318 HD1 HIS 46 HD1 HIS 46 -2.544 -43.962 10.947 319 HD2 HIS 46 HD2 HIS 46 -2.183 -40.543 13.395 320 HE1 HIS 46 HE1 HIS 46 -4.528 -42.452 10.383 321 H TYR 47 H TYR 47 1.181 -43.726 10.622 322 HA TYR 47 HA TYR 47 0.529 -41.805 8.482 323 1HB TYR 47 2HB TYR 47 3.292 -42.978 8.994 324 2HB TYR 47 3HB TYR 47 2.786 -42.396 7.424 325 HD1 TYR 47 HD1 TYR 47 3.996 -41.439 10.734 326 HD2 TYR 47 HD2 TYR 47 2.295 -39.964 7.055 327 HE1 TYR 47 HE1 TYR 47 4.889 -39.174 11.233 328 HE2 TYR 47 HE2 TYR 47 3.197 -37.693 7.554 329 HH TYR 47 HH TYR 47 5.014 -36.996 10.543 330 H LEU 48 H LEU 48 -0.270 -42.917 6.723 331 HA LEU 48 HA LEU 48 -0.410 -45.829 6.948 332 1HB LEU 48 2HB LEU 48 -2.471 -44.505 6.762 333 2HB LEU 48 3HB LEU 48 -1.850 -43.669 5.337 334 HG LEU 48 HG LEU 48 -1.871 -45.763 4.082 335 1HD1 LEU 48 1HD1 LEU 48 -1.718 -47.457 5.847 336 2HD1 LEU 48 2HD1 LEU 48 -3.234 -46.889 6.577 337 3HD1 LEU 48 3HD1 LEU 48 -3.242 -47.686 4.994 338 1HD2 LEU 48 1HD2 LEU 48 -4.542 -45.039 5.357 339 2HD2 LEU 48 2HD2 LEU 48 -3.782 -44.216 3.975 340 3HD2 LEU 48 3HD2 LEU 48 -4.327 -45.893 3.812 341 H PHE 49 H PHE 49 0.417 -47.196 5.346 342 HA PHE 49 HA PHE 49 1.937 -46.068 3.011 343 1HB PHE 49 2HB PHE 49 2.808 -48.226 4.990 344 2HB PHE 49 3HB PHE 49 3.623 -47.837 3.488 345 HD1 PHE 49 HD1 PHE 49 2.779 -46.490 6.872 346 HD2 PHE 49 HD2 PHE 49 5.241 -46.101 3.356 347 HE1 PHE 49 HE1 PHE 49 4.190 -44.816 8.037 348 HE2 PHE 49 HE2 PHE 49 6.633 -44.412 4.516 349 HZ PHE 49 HZ PHE 49 6.106 -43.754 6.861 350 H ASN 50 H ASN 50 1.806 -47.273 1.171 351 HA ASN 50 HA ASN 50 0.230 -49.807 1.238 352 1HB ASN 50 2HB ASN 50 -0.840 -49.171 -0.868 353 2HB ASN 50 3HB ASN 50 -1.216 -48.063 0.423 354 1HD2 ASN 50 2HD2 ASN 50 -1.424 -46.030 -0.522 355 2HD2 ASN 50 1HD2 ASN 50 -0.281 -45.387 -1.693 356 H ALA 51 H ALA 51 0.460 -50.969 -0.895 357 HA ALA 51 HA ALA 51 3.082 -51.975 -1.064 358 1HB ALA 51 1HB ALA 51 2.254 -53.178 -3.056 359 2HB ALA 51 2HB ALA 51 1.043 -53.191 -1.758 360 3HB ALA 51 3HB ALA 51 0.854 -52.087 -3.142 361 H MET 52 H MET 52 1.615 -49.414 -3.094 362 HA MET 52 HA MET 52 3.816 -49.299 -4.975 363 1HB MET 52 2HB MET 52 1.778 -47.124 -4.354 364 2HB MET 52 3HB MET 52 2.780 -47.275 -5.796 365 1HG MET 52 2HG MET 52 0.524 -49.126 -4.947 366 2HG MET 52 3HG MET 52 0.499 -47.961 -6.262 367 1HE MET 52 1HE MET 52 -0.422 -51.000 -6.467 368 2HE MET 52 2HE MET 52 -0.507 -49.854 -7.825 369 3HE MET 52 3HE MET 52 0.248 -51.447 -8.052 370 H ASP 53 H ASP 53 3.050 -47.497 -1.958 371 HA ASP 53 HA ASP 53 5.271 -45.650 -2.251 372 1HB ASP 53 2HB ASP 53 3.117 -45.382 -0.909 373 2HB ASP 53 3HB ASP 53 3.833 -46.427 0.313 374 H ILE 54 H ILE 54 4.794 -48.709 -0.461 375 HA ILE 54 HA ILE 54 7.396 -48.798 0.761 376 HB ILE 54 HB ILE 54 5.223 -50.841 0.233 377 1HG1 ILE 54 2HG1 ILE 54 6.347 -49.636 2.809 378 2HG1 ILE 54 3HG1 ILE 54 5.000 -48.922 1.936 379 1HG2 ILE 54 1HG2 ILE 54 6.485 -52.400 1.730 380 2HG2 ILE 54 2HG2 ILE 54 7.304 -52.120 0.204 381 3HG2 ILE 54 3HG2 ILE 54 7.875 -51.295 1.673 382 1HD1 ILE 54 1HD1 ILE 54 4.146 -50.225 3.778 383 2HD1 ILE 54 2HD1 ILE 54 3.660 -50.947 2.238 384 3HD1 ILE 54 3HD1 ILE 54 4.967 -51.681 3.204 385 H ALA 55 H ALA 55 6.202 -49.786 -2.432 386 HA ALA 55 HA ALA 55 8.540 -51.267 -3.218 387 1HB ALA 55 1HB ALA 55 6.563 -49.710 -4.934 388 2HB ALA 55 2HB ALA 55 7.748 -50.891 -5.520 389 3HB ALA 55 3HB ALA 55 6.435 -51.421 -4.456 390 H GLU 56 H GLU 56 7.866 -47.749 -3.209 391 HA GLU 56 HA GLU 56 10.371 -47.078 -4.589 392 1HB GLU 56 2HB GLU 56 8.384 -45.381 -3.027 393 2HB GLU 56 3HB GLU 56 9.877 -44.762 -3.743 394 1HG GLU 56 2HG GLU 56 9.133 -45.624 -5.979 395 2HG GLU 56 3HG GLU 56 7.590 -46.085 -5.261 396 H ILE 57 H ILE 57 9.306 -47.270 -1.147 397 HA ILE 57 HA ILE 57 11.749 -46.327 0.009 398 HB ILE 57 HB ILE 57 9.588 -48.227 0.967 399 1HG1 ILE 57 2HG1 ILE 57 10.275 -45.394 1.871 400 2HG1 ILE 57 3HG1 ILE 57 9.136 -45.728 0.576 401 1HG2 ILE 57 1HG2 ILE 57 10.470 -48.066 3.248 402 2HG2 ILE 57 2HG2 ILE 57 11.654 -48.832 2.206 403 3HG2 ILE 57 3HG2 ILE 57 11.862 -47.129 2.676 404 1HD1 ILE 57 1HD1 ILE 57 7.911 -45.329 2.600 405 2HD1 ILE 57 2HD1 ILE 57 7.706 -47.024 2.130 406 3HD1 ILE 57 3HD1 ILE 57 8.795 -46.590 3.472 407 H ARG 58 H ARG 58 10.773 -49.558 -1.048 408 HA ARG 58 HA ARG 58 13.090 -51.069 -0.318 409 1HB ARG 58 2HB ARG 58 10.845 -51.393 -2.326 410 2HB ARG 58 3HB ARG 58 12.173 -52.540 -2.308 411 1HG ARG 58 2HG ARG 58 11.715 -53.246 -0.076 412 2HG ARG 58 3HG ARG 58 10.505 -51.969 0.173 413 1HD ARG 58 2HD ARG 58 8.981 -52.931 -1.360 414 2HD ARG 58 3HD ARG 58 10.223 -53.944 -2.113 415 HE ARG 58 HE ARG 58 10.190 -54.940 0.437 416 1HH1 ARG 58 1HH2 ARG 58 7.488 -54.483 -1.839 417 2HH1 ARG 58 2HH2 ARG 58 6.780 -56.000 -1.298 418 1HH2 ARG 58 2HH1 ARG 58 9.249 -56.910 0.765 419 2HH2 ARG 58 1HH1 ARG 58 7.644 -57.201 0.077 420 H ASN 59 H ASN 59 12.850 -48.749 -2.920 421 HA ASN 59 HA ASN 59 15.487 -49.727 -3.895 422 1HB ASN 59 2HB ASN 59 14.871 -49.585 -6.189 423 2HB ASN 59 3HB ASN 59 13.698 -50.597 -5.368 424 1HD2 ASN 59 2HD2 ASN 59 12.391 -50.199 -7.323 425 2HD2 ASN 59 1HD2 ASN 59 11.465 -48.707 -7.408 426 H ASN 60 H ASN 60 14.018 -47.133 -2.590 427 HA ASN 60 HA ASN 60 16.107 -45.280 -3.652 428 1HB ASN 60 2HB ASN 60 13.825 -44.889 -4.668 429 2HB ASN 60 3HB ASN 60 13.220 -44.529 -3.054 430 1HD2 ASN 60 2HD2 ASN 60 13.026 -42.331 -2.783 431 2HD2 ASN 60 1HD2 ASN 60 14.159 -41.157 -3.433 432 H ALA 61 H ALA 61 14.650 -46.646 -0.812 433 HA ALA 61 HA ALA 61 16.171 -44.691 0.871 434 1HB ALA 61 1HB ALA 61 13.506 -45.980 1.538 435 2HB ALA 61 2HB ALA 61 14.409 -44.828 2.538 436 3HB ALA 61 3HB ALA 61 13.722 -44.302 0.990 437 H SER 62 H SER 62 16.158 -47.834 -0.140 438 HA SER 62 HA SER 62 17.849 -48.783 2.095 439 1HB SER 62 2HB SER 62 15.344 -50.193 1.097 440 2HB SER 62 3HB SER 62 16.650 -51.017 1.970 441 HG SER 62 HG SER 62 14.995 -50.292 3.392 Start of MODEL 7 1 1H MET 1 H1 MET 1 -1.172 -22.573 8.338 2 2H MET 1 H2 MET 1 -1.409 -24.137 7.926 3 3H MET 1 H3 MET 1 -0.100 -23.327 7.361 4 HA MET 1 HA MET 1 -1.506 -21.844 6.072 5 1HB MET 1 2HB MET 1 -1.975 -24.817 5.571 6 2HB MET 1 3HB MET 1 -2.487 -23.534 4.471 7 1HG MET 1 2HG MET 1 -0.183 -22.807 4.137 8 2HG MET 1 3HG MET 1 0.395 -23.977 5.322 9 1HE MET 1 1HE MET 1 -1.232 -25.105 1.117 10 2HE MET 1 2HE MET 1 -2.341 -24.591 2.402 11 3HE MET 1 3HE MET 1 -1.141 -23.447 1.750 12 H ASP 2 H ASP 2 -3.438 -20.836 5.889 13 HA ASP 2 HA ASP 2 -5.958 -22.141 6.676 14 1HB ASP 2 2HB ASP 2 -5.094 -21.255 8.819 15 2HB ASP 2 3HB ASP 2 -4.875 -19.664 8.090 16 H VAL 3 H VAL 3 -7.686 -21.322 5.561 17 HA VAL 3 HA VAL 3 -7.693 -18.682 4.337 18 HB VAL 3 HB VAL 3 -6.349 -19.962 2.708 19 1HG1 VAL 3 1HG1 VAL 3 -7.288 -21.705 1.312 20 2HG1 VAL 3 2HG1 VAL 3 -7.320 -22.225 3.002 21 3HG1 VAL 3 3HG1 VAL 3 -8.815 -21.676 2.212 22 1HG2 VAL 3 1HG2 VAL 3 -7.510 -19.302 0.716 23 2HG2 VAL 3 2HG2 VAL 3 -9.068 -19.252 1.556 24 3HG2 VAL 3 3HG2 VAL 3 -7.786 -18.085 1.969 25 H GLU 4 H GLU 4 -9.745 -17.991 3.780 26 HA GLU 4 HA GLU 4 -11.993 -19.496 4.924 27 1HB GLU 4 2HB GLU 4 -11.590 -17.068 5.314 28 2HB GLU 4 3HB GLU 4 -11.942 -16.750 3.613 29 1HG GLU 4 2HG GLU 4 -14.225 -17.764 3.946 30 2HG GLU 4 3HG GLU 4 -13.835 -18.022 5.648 31 H PHE 5 H PHE 5 -12.112 -21.270 3.493 32 HA PHE 5 HA PHE 5 -12.190 -21.180 0.704 33 1HB PHE 5 2HB PHE 5 -11.821 -23.163 2.168 34 2HB PHE 5 3HB PHE 5 -13.541 -23.190 2.537 35 HD1 PHE 5 HD1 PHE 5 -11.126 -23.274 -0.356 36 HD2 PHE 5 HD2 PHE 5 -14.983 -24.483 1.152 37 HE1 PHE 5 HE1 PHE 5 -11.492 -24.652 -2.391 38 HE2 PHE 5 HE2 PHE 5 -15.336 -25.867 -0.878 39 HZ PHE 5 HZ PHE 5 -13.599 -25.951 -2.655 40 H LYS 6 H LYS 6 -13.672 -21.231 -0.856 41 HA LYS 6 HA LYS 6 -16.578 -20.921 -0.468 42 1HB LYS 6 2HB LYS 6 -15.032 -19.052 -2.303 43 2HB LYS 6 3HB LYS 6 -16.732 -18.968 -1.900 44 1HG LYS 6 2HG LYS 6 -14.462 -18.327 0.026 45 2HG LYS 6 3HG LYS 6 -15.236 -17.162 -1.024 46 1HD LYS 6 2HD LYS 6 -17.383 -17.425 0.126 47 2HD LYS 6 3HD LYS 6 -16.678 -18.661 1.201 48 1HE LYS 6 2HE LYS 6 -14.980 -17.059 1.974 49 2HE LYS 6 3HE LYS 6 -15.579 -15.823 0.869 50 1HZ LYS 6 1HZ LYS 6 -17.210 -16.958 3.073 51 2HZ LYS 6 2HZ LYS 6 -16.298 -15.628 3.225 52 3HZ LYS 6 3HZ LYS 6 -17.569 -15.620 2.183 53 H CYS 7 H CYS 7 -17.695 -21.644 -2.396 54 HA CYS 7 HA CYS 7 -16.267 -23.518 -4.070 55 1HB CYS 7 2HB CYS 7 -18.710 -23.597 -3.284 56 2HB CYS 7 3HB CYS 7 -19.013 -22.412 -4.581 57 H THR 8 H THR 8 -16.240 -23.566 -6.323 58 HA THR 8 HA THR 8 -15.163 -21.214 -7.631 59 HB THR 8 HB THR 8 -14.374 -23.489 -8.101 60 HG1 THR 8 1HG THR 8 -14.245 -23.201 -10.310 61 1HG2 THR 8 1HG2 THR 8 -16.973 -23.935 -9.634 62 2HG2 THR 8 2HG2 THR 8 -15.575 -25.022 -9.546 63 3HG2 THR 8 3HG2 THR 8 -16.548 -24.728 -8.101 64 H CYS 9 H CYS 9 -18.388 -22.737 -7.538 65 HA CYS 9 HA CYS 9 -19.384 -20.901 -9.621 66 1HB CYS 9 2HB CYS 9 -21.452 -22.093 -9.490 67 2HB CYS 9 3HB CYS 9 -20.104 -23.177 -9.792 68 H SER 10 H SER 10 -21.544 -19.789 -9.095 69 HA SER 10 HA SER 10 -20.902 -17.635 -7.565 70 1HB SER 10 2HB SER 10 -22.671 -17.564 -9.187 71 2HB SER 10 3HB SER 10 -23.739 -18.474 -8.078 72 HG SER 10 HG SER 10 -23.893 -16.093 -8.065 73 H ARG 11 H ARG 11 -20.645 -17.111 -5.742 74 HA ARG 11 HA ARG 11 -21.278 -18.424 -3.239 75 1HB ARG 11 2HB ARG 11 -20.356 -15.616 -4.043 76 2HB ARG 11 3HB ARG 11 -20.655 -16.059 -2.372 77 1HG ARG 11 2HG ARG 11 -18.314 -16.160 -2.871 78 2HG ARG 11 3HG ARG 11 -18.964 -17.721 -2.378 79 1HD ARG 11 2HD ARG 11 -17.278 -18.023 -4.088 80 2HD ARG 11 3HD ARG 11 -18.846 -18.534 -4.701 81 HE ARG 11 HE ARG 11 -18.299 -15.776 -5.403 82 1HH1 ARG 11 1HH2 ARG 11 -17.305 -19.020 -6.299 83 2HH1 ARG 11 2HH2 ARG 11 -16.961 -18.571 -7.943 84 1HH2 ARG 11 1HH1 ARG 11 -17.799 -15.250 -7.525 85 2HH2 ARG 11 2HH1 ARG 11 -17.142 -16.466 -8.581 86 H GLU 12 H GLU 12 -22.863 -16.027 -5.191 87 HA GLU 12 HA GLU 12 -24.704 -14.969 -3.270 88 1HB GLU 12 2HB GLU 12 -24.162 -14.035 -5.554 89 2HB GLU 12 3HB GLU 12 -25.208 -15.284 -6.250 90 1HG GLU 12 2HG GLU 12 -27.128 -14.395 -4.947 91 2HG GLU 12 3HG GLU 12 -26.077 -13.164 -4.241 92 H ARG 13 H ARG 13 -24.947 -17.870 -5.336 93 HA ARG 13 HA ARG 13 -27.707 -18.493 -4.715 94 1HB ARG 13 2HB ARG 13 -25.387 -20.239 -5.667 95 2HB ARG 13 3HB ARG 13 -27.059 -20.782 -5.494 96 1HG ARG 13 2HG ARG 13 -27.843 -19.129 -7.105 97 2HG ARG 13 3HG ARG 13 -26.200 -18.497 -7.315 98 1HD ARG 13 2HD ARG 13 -25.425 -20.558 -8.280 99 2HD ARG 13 3HD ARG 13 -26.892 -21.415 -7.837 100 HE ARG 13 HE ARG 13 -26.506 -19.638 -10.130 101 1HH1 ARG 13 1HH1 ARG 13 -28.987 -21.215 -8.169 102 2HH1 ARG 13 2HH1 ARG 13 -30.193 -20.988 -9.402 103 1HH2 ARG 13 1HH2 ARG 13 -28.111 -19.436 -11.642 104 2HH2 ARG 13 2HH2 ARG 13 -29.708 -20.038 -11.309 105 H CYS 14 H CYS 14 -24.641 -19.605 -3.240 106 HA CYS 14 HA CYS 14 -25.902 -21.187 -1.180 107 1HB CYS 14 2HB CYS 14 -23.499 -21.297 -1.953 108 2HB CYS 14 3HB CYS 14 -23.190 -19.791 -1.075 109 HG CYS 14 HG CYS 14 -24.390 -22.686 0.052 110 H ALA 15 H ALA 15 -24.816 -17.777 -1.276 111 HA ALA 15 HA ALA 15 -25.339 -17.114 1.435 112 1HB ALA 15 1HB ALA 15 -25.461 -15.380 -1.074 113 2HB ALA 15 2HB ALA 15 -25.355 -14.786 0.586 114 3HB ALA 15 3HB ALA 15 -24.012 -15.718 -0.098 115 H ASP 16 H ASP 16 -27.553 -17.039 -1.425 116 HA ASP 16 HA ASP 16 -29.830 -15.954 -0.086 117 1HB ASP 16 2HB ASP 16 -29.560 -16.176 -2.544 118 2HB ASP 16 3HB ASP 16 -29.714 -17.924 -2.401 119 H ALA 17 H ALA 17 -28.661 -19.326 -0.346 120 HA ALA 17 HA ALA 17 -30.918 -20.554 0.950 121 1HB ALA 17 1HB ALA 17 -28.040 -21.548 0.774 122 2HB ALA 17 2HB ALA 17 -29.484 -22.514 1.122 123 3HB ALA 17 3HB ALA 17 -29.284 -21.772 -0.477 124 H LEU 18 H LEU 18 -27.957 -19.025 2.246 125 HA LEU 18 HA LEU 18 -28.372 -19.825 5.011 126 1HB LEU 18 2HB LEU 18 -26.163 -19.425 4.436 127 2HB LEU 18 3HB LEU 18 -26.545 -18.092 3.374 128 HG LEU 18 HG LEU 18 -26.986 -16.631 5.251 129 1HD1 LEU 18 1HD1 LEU 18 -25.905 -18.917 6.978 130 2HD1 LEU 18 2HD1 LEU 18 -26.174 -17.253 7.537 131 3HD1 LEU 18 3HD1 LEU 18 -27.546 -18.257 7.065 132 1HD2 LEU 18 1HD2 LEU 18 -24.248 -17.938 5.487 133 2HD2 LEU 18 2HD2 LEU 18 -24.721 -16.839 4.171 134 3HD2 LEU 18 3HD2 LEU 18 -24.680 -16.251 5.835 135 H LYS 19 H LYS 19 -29.167 -16.958 2.993 136 HA LYS 19 HA LYS 19 -30.155 -15.216 4.886 137 1HB LYS 19 2HB LYS 19 -29.750 -15.157 2.211 138 2HB LYS 19 3HB LYS 19 -31.482 -15.465 2.178 139 1HG LYS 19 2HG LYS 19 -31.189 -13.460 4.094 140 2HG LYS 19 3HG LYS 19 -29.904 -13.105 2.967 141 1HD LYS 19 2HD LYS 19 -31.837 -11.808 2.322 142 2HD LYS 19 3HD LYS 19 -31.543 -13.037 1.095 143 1HE LYS 19 2HE LYS 19 -33.928 -12.813 1.524 144 2HE LYS 19 3HE LYS 19 -33.377 -14.424 1.977 145 1HZ LYS 19 1HZ LYS 19 -34.875 -13.371 3.633 146 2HZ LYS 19 2HZ LYS 19 -33.441 -13.782 4.291 147 3HZ LYS 19 3HZ LYS 19 -33.769 -12.209 3.926 148 H THR 20 H THR 20 -31.731 -18.163 3.958 149 HA THR 20 HA THR 20 -34.359 -17.201 5.015 150 HB THR 20 HB THR 20 -35.351 -19.098 3.808 151 HG1 THR 20 1HG THR 20 -34.062 -20.204 2.325 152 1HG2 THR 20 1HG2 THR 20 -35.117 -18.203 1.554 153 2HG2 THR 20 2HG2 THR 20 -35.180 -16.868 2.717 154 3HG2 THR 20 3HG2 THR 20 -33.627 -17.346 1.998 155 H LEU 21 H LEU 21 -31.722 -18.936 6.176 156 HA LEU 21 HA LEU 21 -33.026 -21.071 7.567 157 1HB LEU 21 2HB LEU 21 -30.512 -19.470 8.223 158 2HB LEU 21 3HB LEU 21 -30.988 -20.955 9.027 159 HG LEU 21 HG LEU 21 -30.253 -20.697 6.088 160 1HD1 LEU 21 1HD1 LEU 21 -28.786 -22.010 8.411 161 2HD1 LEU 21 2HD1 LEU 21 -28.252 -21.963 6.715 162 3HD1 LEU 21 3HD1 LEU 21 -28.350 -20.464 7.653 163 1HD2 LEU 21 1HD2 LEU 21 -30.956 -23.167 7.733 164 2HD2 LEU 21 2HD2 LEU 21 -31.861 -22.522 6.341 165 3HD2 LEU 21 3HD2 LEU 21 -30.247 -23.189 6.102 166 HA PRO 22 HA PRO 22 -35.347 -19.009 10.736 167 1HB PRO 22 2HB PRO 22 -34.114 -20.917 12.715 168 2HB PRO 22 3HB PRO 22 -35.834 -20.494 12.475 169 1HG PRO 22 2HG PRO 22 -34.832 -22.830 11.514 170 2HG PRO 22 3HG PRO 22 -35.986 -21.864 10.540 171 1HD PRO 22 2HD PRO 22 -32.980 -22.023 10.280 172 2HD PRO 22 3HD PRO 22 -34.238 -22.010 9.006 173 H ASP 23 H ASP 23 -34.940 -17.101 11.737 174 HA ASP 23 HA ASP 23 -32.314 -16.125 12.077 175 1HB ASP 23 2HB ASP 23 -34.625 -14.920 11.794 176 2HB ASP 23 3HB ASP 23 -34.680 -14.949 13.554 177 H GLU 24 H GLU 24 -34.466 -17.569 14.492 178 HA GLU 24 HA GLU 24 -32.814 -17.008 16.795 179 1HB GLU 24 2HB GLU 24 -35.228 -17.578 16.878 180 2HB GLU 24 3HB GLU 24 -34.856 -19.226 16.350 181 1HG GLU 24 2HG GLU 24 -33.555 -19.620 18.400 182 2HG GLU 24 3HG GLU 24 -33.743 -17.929 18.878 183 H GLU 25 H GLU 25 -32.879 -19.747 14.466 184 HA GLU 25 HA GLU 25 -30.965 -21.388 15.877 185 1HB GLU 25 2HB GLU 25 -32.611 -22.146 14.107 186 2HB GLU 25 3HB GLU 25 -31.640 -21.298 12.905 187 1HG GLU 25 2HG GLU 25 -31.039 -23.549 12.760 188 2HG GLU 25 3HG GLU 25 -29.681 -22.771 13.560 189 H VAL 26 H VAL 26 -30.699 -19.002 13.206 190 HA VAL 26 HA VAL 26 -27.853 -19.145 12.852 191 HB VAL 26 HB VAL 26 -29.898 -16.969 12.290 192 1HG1 VAL 26 1HG1 VAL 26 -28.171 -15.880 10.863 193 2HG1 VAL 26 2HG1 VAL 26 -27.794 -15.769 12.582 194 3HG1 VAL 26 3HG1 VAL 26 -26.940 -16.950 11.567 195 1HG2 VAL 26 1HG2 VAL 26 -30.015 -19.033 10.911 196 2HG2 VAL 26 2HG2 VAL 26 -29.487 -17.647 9.950 197 3HG2 VAL 26 3HG2 VAL 26 -28.300 -18.850 10.489 198 H ASP 27 H ASP 27 -29.844 -17.054 15.014 199 HA ASP 27 HA ASP 27 -27.671 -15.609 16.151 200 1HB ASP 27 2HB ASP 27 -30.037 -14.957 16.350 201 2HB ASP 27 3HB ASP 27 -30.351 -16.358 17.376 202 H SER 28 H SER 28 -29.131 -18.759 17.188 203 HA SER 28 HA SER 28 -27.518 -19.093 19.528 204 1HB SER 28 2HB SER 28 -28.835 -21.127 17.693 205 2HB SER 28 3HB SER 28 -27.965 -21.558 19.177 206 HG SER 28 HG SER 28 -30.231 -21.275 19.522 207 H ILE 29 H ILE 29 -26.875 -20.097 16.109 208 HA ILE 29 HA ILE 29 -24.370 -21.357 16.678 209 HB ILE 29 HB ILE 29 -25.353 -20.059 14.104 210 1HG1 ILE 29 2HG1 ILE 29 -25.297 -23.017 14.852 211 2HG1 ILE 29 3HG1 ILE 29 -26.717 -22.028 15.079 212 1HG2 ILE 29 1HG2 ILE 29 -22.918 -20.278 14.029 213 2HG2 ILE 29 2HG2 ILE 29 -23.002 -21.933 14.667 214 3HG2 ILE 29 3HG2 ILE 29 -23.594 -21.563 13.044 215 1HD1 ILE 29 1HD1 ILE 29 -26.756 -21.487 12.639 216 2HD1 ILE 29 2HD1 ILE 29 -25.423 -22.643 12.399 217 3HD1 ILE 29 3HD1 ILE 29 -26.983 -23.206 13.014 218 H LEU 30 H LEU 30 -25.164 -17.979 15.684 219 HA LEU 30 HA LEU 30 -22.458 -17.051 15.675 220 1HB LEU 30 2HB LEU 30 -25.104 -15.605 16.068 221 2HB LEU 30 3HB LEU 30 -23.556 -14.773 15.962 222 HG LEU 30 HG LEU 30 -24.767 -16.500 13.753 223 1HD1 LEU 30 1HD1 LEU 30 -25.901 -14.321 14.114 224 2HD1 LEU 30 2HD1 LEU 30 -24.335 -13.491 13.940 225 3HD1 LEU 30 3HD1 LEU 30 -25.038 -14.382 12.570 226 1HD2 LEU 30 1HD2 LEU 30 -22.395 -16.673 13.516 227 2HD2 LEU 30 2HD2 LEU 30 -22.919 -15.427 12.390 228 3HD2 LEU 30 3HD2 LEU 30 -22.161 -14.952 13.918 229 H ALA 31 H ALA 31 -24.734 -17.408 18.368 230 HA ALA 31 HA ALA 31 -23.112 -15.969 20.282 231 1HB ALA 31 1HB ALA 31 -25.565 -16.212 20.459 232 2HB ALA 31 2HB ALA 31 -25.379 -17.969 20.673 233 3HB ALA 31 3HB ALA 31 -24.745 -16.847 21.895 234 H GLU 32 H GLU 32 -22.632 -19.103 18.937 235 HA GLU 32 HA GLU 32 -20.910 -19.896 21.275 236 1HB GLU 32 2HB GLU 32 -22.650 -21.680 19.536 237 2HB GLU 32 3HB GLU 32 -21.449 -22.249 20.702 238 1HG GLU 32 2HG GLU 32 -22.673 -20.993 22.511 239 2HG GLU 32 3HG GLU 32 -23.950 -20.633 21.349 240 H ASP 33 H ASP 33 -21.073 -19.681 17.752 241 HA ASP 33 HA ASP 33 -18.197 -20.519 17.599 242 1HB ASP 33 2HB ASP 33 -20.546 -21.193 15.792 243 2HB ASP 33 3HB ASP 33 -18.878 -21.315 15.267 244 H GLY 34 H GLY 34 -20.621 -18.157 16.630 245 1HA GLY 34 2HA GLY 34 -20.388 -16.070 15.679 246 2HA GLY 34 3HA GLY 34 -18.646 -16.236 15.858 247 H GLU 35 H GLU 35 -19.779 -18.792 13.944 248 HA GLU 35 HA GLU 35 -19.751 -17.421 11.345 249 1HB GLU 35 2HB GLU 35 -17.734 -19.634 11.919 250 2HB GLU 35 3HB GLU 35 -17.921 -18.707 10.438 251 1HG GLU 35 2HG GLU 35 -17.192 -16.647 11.743 252 2HG GLU 35 3HG GLU 35 -16.816 -17.723 13.086 253 H ILE 36 H ILE 36 -20.267 -18.929 9.603 254 HA ILE 36 HA ILE 36 -21.621 -21.467 10.436 255 HB ILE 36 HB ILE 36 -22.638 -19.318 8.542 256 1HG1 ILE 36 2HG1 ILE 36 -23.886 -20.459 11.088 257 2HG1 ILE 36 3HG1 ILE 36 -22.991 -18.942 11.023 258 1HG2 ILE 36 1HG2 ILE 36 -23.159 -21.510 7.556 259 2HG2 ILE 36 2HG2 ILE 36 -23.820 -22.078 9.107 260 3HG2 ILE 36 3HG2 ILE 36 -24.622 -20.793 8.185 261 1HD1 ILE 36 1HD1 ILE 36 -25.662 -19.544 9.758 262 2HD1 ILE 36 2HD1 ILE 36 -25.204 -18.289 10.928 263 3HD1 ILE 36 3HD1 ILE 36 -24.644 -18.175 9.240 264 H ASP 37 H ASP 37 -21.289 -23.159 9.227 265 HA ASP 37 HA ASP 37 -19.672 -23.022 6.711 266 1HB ASP 37 2HB ASP 37 -18.599 -24.425 8.349 267 2HB ASP 37 3HB ASP 37 -20.128 -25.178 8.809 268 H MET 38 H MET 38 -20.763 -23.425 4.864 269 HA MET 38 HA MET 38 -23.466 -24.711 4.996 270 1HB MET 38 2HB MET 38 -23.433 -22.147 4.835 271 2HB MET 38 3HB MET 38 -22.722 -22.363 3.234 272 1HG MET 38 2HG MET 38 -25.094 -21.989 3.047 273 2HG MET 38 3HG MET 38 -24.746 -23.639 2.537 274 1HE MET 38 1HE MET 38 -27.454 -23.876 2.642 275 2HE MET 38 2HE MET 38 -28.400 -23.620 4.126 276 3HE MET 38 3HE MET 38 -27.612 -22.242 3.328 277 H HIS 39 H HIS 39 -24.032 -26.024 3.318 278 HA HIS 39 HA HIS 39 -21.805 -27.051 1.665 279 1HB HIS 39 2HB HIS 39 -23.162 -28.533 3.124 280 2HB HIS 39 3HB HIS 39 -24.607 -28.116 2.200 281 HD1 HIS 39 HD1 HIS 39 -21.236 -29.951 1.737 282 HD2 HIS 39 HD2 HIS 39 -25.025 -29.485 -0.042 283 HE1 HIS 39 HE1 HIS 39 -21.377 -31.699 -0.119 284 H CYS 40 H CYS 40 -21.764 -27.109 -0.494 285 HA CYS 40 HA CYS 40 -23.534 -25.376 -2.060 286 1HB CYS 40 2HB CYS 40 -20.961 -25.451 -2.190 287 2HB CYS 40 3HB CYS 40 -21.147 -27.024 -2.957 288 H ASP 41 H ASP 41 -25.503 -26.676 -1.919 289 HA ASP 41 HA ASP 41 -25.663 -29.406 -2.698 290 1HB ASP 41 2HB ASP 41 -28.019 -29.126 -2.766 291 2HB ASP 41 3HB ASP 41 -27.399 -28.178 -1.426 292 H TYR 42 H TYR 42 -25.013 -26.741 -4.697 293 HA TYR 42 HA TYR 42 -26.162 -27.613 -7.192 294 1HB TYR 42 2HB TYR 42 -23.986 -25.637 -6.413 295 2HB TYR 42 3HB TYR 42 -24.465 -25.921 -8.070 296 HD1 TYR 42 HD1 TYR 42 -25.412 -24.299 -4.892 297 HD2 TYR 42 HD2 TYR 42 -26.781 -25.402 -8.846 298 HE1 TYR 42 HE1 TYR 42 -27.422 -22.886 -4.597 299 HE2 TYR 42 HE2 TYR 42 -28.742 -23.888 -8.579 300 HH TYR 42 HH TYR 42 -29.344 -22.056 -5.562 301 H CYS 43 H CYS 43 -22.941 -28.112 -5.693 302 HA CYS 43 HA CYS 43 -22.418 -30.263 -7.654 303 1HB CYS 43 2HB CYS 43 -20.163 -29.364 -8.159 304 2HB CYS 43 3HB CYS 43 -21.500 -28.393 -8.776 305 H GLY 44 H GLY 44 -22.148 -29.370 -4.371 306 1HA GLY 44 2HA GLY 44 -21.770 -31.146 -2.827 307 2HA GLY 44 3HA GLY 44 -20.525 -31.831 -3.858 308 H ASN 45 H ASN 45 -19.893 -28.582 -3.813 309 HA ASN 45 HA ASN 45 -17.647 -28.837 -1.950 310 1HB ASN 45 2HB ASN 45 -18.702 -26.645 -3.755 311 2HB ASN 45 3HB ASN 45 -17.243 -26.442 -2.792 312 1HD2 ASN 45 2HD2 ASN 45 -17.965 -26.904 -5.848 313 2HD2 ASN 45 1HD2 ASN 45 -16.680 -28.017 -6.313 314 H HIS 46 H HIS 46 -17.387 -26.343 -0.806 315 HA HIS 46 HA HIS 46 -19.661 -25.922 1.033 316 1HB HIS 46 2HB HIS 46 -16.929 -27.042 1.640 317 2HB HIS 46 3HB HIS 46 -17.590 -25.871 2.751 318 HD1 HIS 46 HD1 HIS 46 -19.270 -26.777 4.519 319 HD2 HIS 46 HD2 HIS 46 -18.606 -29.336 1.238 320 HE1 HIS 46 HE1 HIS 46 -20.576 -28.913 4.998 321 H TYR 47 H TYR 47 -19.333 -23.977 2.443 322 HA TYR 47 HA TYR 47 -17.485 -21.905 1.451 323 1HB TYR 47 2HB TYR 47 -20.481 -21.479 1.799 324 2HB TYR 47 3HB TYR 47 -19.300 -20.260 1.379 325 HD1 TYR 47 HD1 TYR 47 -18.853 -19.763 -0.909 326 HD2 TYR 47 HD2 TYR 47 -21.069 -23.301 0.175 327 HE1 TYR 47 HE1 TYR 47 -19.679 -19.994 -3.265 328 HE2 TYR 47 HE2 TYR 47 -21.947 -23.459 -2.137 329 HH TYR 47 HH TYR 47 -21.949 -22.572 -4.226 330 H LEU 48 H LEU 48 -17.023 -20.435 3.097 331 HA LEU 48 HA LEU 48 -18.281 -20.987 5.744 332 1HB LEU 48 2HB LEU 48 -15.496 -19.922 5.088 333 2HB LEU 48 3HB LEU 48 -16.139 -20.118 6.716 334 HG LEU 48 HG LEU 48 -15.615 -22.391 4.739 335 1HD1 LEU 48 1HD1 LEU 48 -13.758 -22.957 6.238 336 2HD1 LEU 48 2HD1 LEU 48 -13.557 -21.328 5.577 337 3HD1 LEU 48 3HD1 LEU 48 -14.117 -21.540 7.250 338 1HD2 LEU 48 1HD2 LEU 48 -17.419 -23.011 6.264 339 2HD2 LEU 48 2HD2 LEU 48 -15.945 -23.854 6.733 340 3HD2 LEU 48 3HD2 LEU 48 -16.483 -22.439 7.666 341 H PHE 49 H PHE 49 -19.103 -19.215 6.895 342 HA PHE 49 HA PHE 49 -18.789 -16.447 5.762 343 1HB PHE 49 2HB PHE 49 -21.413 -17.714 6.641 344 2HB PHE 49 3HB PHE 49 -21.167 -16.074 6.064 345 HD1 PHE 49 HD1 PHE 49 -20.767 -15.595 3.666 346 HD2 PHE 49 HD2 PHE 49 -21.663 -19.569 5.070 347 HE1 PHE 49 HE1 PHE 49 -21.373 -16.266 1.360 348 HE2 PHE 49 HE2 PHE 49 -22.308 -20.220 2.760 349 HZ PHE 49 HZ PHE 49 -22.154 -18.585 0.904 350 H ASN 50 H ASN 50 -18.247 -15.006 7.307 351 HA ASN 50 HA ASN 50 -18.360 -15.813 10.153 352 1HB ASN 50 2HB ASN 50 -17.301 -13.128 9.671 353 2HB ASN 50 3HB ASN 50 -16.566 -14.498 10.480 354 1HD2 ASN 50 2HD2 ASN 50 -15.172 -15.941 9.188 355 2HD2 ASN 50 1HD2 ASN 50 -14.597 -15.341 7.611 356 H ALA 51 H ALA 51 -19.015 -13.996 11.778 357 HA ALA 51 HA ALA 51 -21.744 -13.505 11.543 358 1HB ALA 51 1HB ALA 51 -21.461 -12.035 13.478 359 2HB ALA 51 2HB ALA 51 -20.414 -13.454 13.648 360 3HB ALA 51 3HB ALA 51 -19.717 -11.898 13.160 361 H MET 52 H MET 52 -19.124 -11.193 10.672 362 HA MET 52 HA MET 52 -20.953 -9.085 9.939 363 1HB MET 52 2HB MET 52 -19.059 -7.909 9.052 364 2HB MET 52 3HB MET 52 -18.711 -8.588 10.631 365 1HG MET 52 2HG MET 52 -16.753 -8.921 9.481 366 2HG MET 52 3HG MET 52 -17.510 -10.505 9.386 367 1HE MET 52 1HE MET 52 -15.399 -10.134 6.071 368 2HE MET 52 2HE MET 52 -14.999 -9.365 7.623 369 3HE MET 52 3HE MET 52 -15.618 -11.030 7.590 370 H ASP 53 H ASP 53 -19.536 -11.768 8.064 371 HA ASP 53 HA ASP 53 -20.385 -10.824 5.484 372 1HB ASP 53 2HB ASP 53 -18.612 -12.599 6.222 373 2HB ASP 53 3HB ASP 53 -19.957 -13.726 6.273 374 H ILE 54 H ILE 54 -21.762 -13.090 7.890 375 HA ILE 54 HA ILE 54 -24.178 -13.799 6.546 376 HB ILE 54 HB ILE 54 -23.409 -13.619 9.490 377 1HG1 ILE 54 2HG1 ILE 54 -23.778 -16.153 7.854 378 2HG1 ILE 54 3HG1 ILE 54 -22.245 -15.297 7.844 379 1HG2 ILE 54 1HG2 ILE 54 -25.835 -13.519 9.400 380 2HG2 ILE 54 2HG2 ILE 54 -25.891 -14.853 8.226 381 3HG2 ILE 54 3HG2 ILE 54 -25.376 -15.139 9.902 382 1HD1 ILE 54 1HD1 ILE 54 -22.010 -15.554 10.258 383 2HD1 ILE 54 2HD1 ILE 54 -23.575 -16.384 10.342 384 3HD1 ILE 54 3HD1 ILE 54 -22.226 -17.115 9.457 385 H ALA 55 H ALA 55 -23.347 -11.044 8.695 386 HA ALA 55 HA ALA 55 -25.987 -10.003 8.920 387 1HB ALA 55 1HB ALA 55 -24.885 -7.946 9.686 388 2HB ALA 55 2HB ALA 55 -24.155 -9.379 10.430 389 3HB ALA 55 3HB ALA 55 -23.320 -8.540 9.102 390 H GLU 56 H GLU 56 -23.423 -9.173 6.465 391 HA GLU 56 HA GLU 56 -25.195 -7.244 5.183 392 1HB GLU 56 2HB GLU 56 -23.595 -7.106 3.396 393 2HB GLU 56 3HB GLU 56 -22.830 -6.928 4.970 394 1HG GLU 56 2HG GLU 56 -21.919 -9.192 4.832 395 2HG GLU 56 3HG GLU 56 -22.776 -9.483 3.311 396 H ILE 57 H ILE 57 -24.546 -10.719 4.659 397 HA ILE 57 HA ILE 57 -26.067 -10.982 2.238 398 HB ILE 57 HB ILE 57 -25.275 -12.848 4.489 399 1HG1 ILE 57 2HG1 ILE 57 -24.477 -12.823 1.542 400 2HG1 ILE 57 3HG1 ILE 57 -23.609 -11.928 2.776 401 1HG2 ILE 57 1HG2 ILE 57 -26.074 -14.774 3.081 402 2HG2 ILE 57 2HG2 ILE 57 -27.385 -13.804 3.710 403 3HG2 ILE 57 3HG2 ILE 57 -26.893 -13.614 2.014 404 1HD1 ILE 57 1HD1 ILE 57 -23.182 -14.053 4.022 405 2HD1 ILE 57 2HD1 ILE 57 -23.892 -14.953 2.661 406 3HD1 ILE 57 3HD1 ILE 57 -22.437 -13.978 2.414 407 H ARG 58 H ARG 58 -27.043 -11.307 5.688 408 HA ARG 58 HA ARG 58 -29.798 -11.903 5.064 409 1HB ARG 58 2HB ARG 58 -28.515 -12.646 7.047 410 2HB ARG 58 3HB ARG 58 -28.547 -11.009 7.694 411 1HG ARG 58 2HG ARG 58 -30.870 -11.068 8.088 412 2HG ARG 58 3HG ARG 58 -31.153 -12.397 6.959 413 1HD ARG 58 2HD ARG 58 -29.516 -12.788 9.490 414 2HD ARG 58 3HD ARG 58 -31.277 -12.876 9.476 415 HE ARG 58 HE ARG 58 -29.568 -14.620 7.724 416 1HH1 ARG 58 1HH1 ARG 58 -32.166 -14.493 10.127 417 2HH1 ARG 58 2HH1 ARG 58 -32.736 -16.084 9.631 418 1HH2 ARG 58 1HH2 ARG 58 -30.367 -16.729 7.321 419 2HH2 ARG 58 2HH2 ARG 58 -31.768 -17.233 8.238 420 H ASN 59 H ASN 59 -28.180 -8.852 5.578 421 HA ASN 59 HA ASN 59 -30.830 -7.468 5.660 422 1HB ASN 59 2HB ASN 59 -28.078 -6.515 6.533 423 2HB ASN 59 3HB ASN 59 -29.536 -5.534 6.571 424 1HD2 ASN 59 2HD2 ASN 59 -27.823 -8.123 8.148 425 2HD2 ASN 59 1HD2 ASN 59 -28.938 -8.254 9.517 426 H ASN 60 H ASN 60 -28.499 -8.038 3.343 427 HA ASN 60 HA ASN 60 -29.773 -6.027 1.582 428 1HB ASN 60 2HB ASN 60 -27.733 -4.967 2.746 429 2HB ASN 60 3HB ASN 60 -26.736 -6.074 1.803 430 1HD2 ASN 60 2HD2 ASN 60 -26.036 -5.202 -0.176 431 2HD2 ASN 60 1HD2 ASN 60 -26.895 -3.907 -1.000 432 H ALA 61 H ALA 61 -27.977 -9.007 1.871 433 HA ALA 61 HA ALA 61 -27.441 -10.672 0.490 434 1HB ALA 61 1HB ALA 61 -29.136 -11.381 -1.085 435 2HB ALA 61 2HB ALA 61 -29.899 -10.729 0.375 436 3HB ALA 61 3HB ALA 61 -29.846 -9.754 -1.113 437 H SER 62 H SER 62 -26.404 -7.851 -0.332 438 HA SER 62 HA SER 62 -24.694 -8.721 -2.496 439 1HB SER 62 2HB SER 62 -25.313 -6.908 -4.069 440 2HB SER 62 3HB SER 62 -26.583 -8.120 -3.883 441 HG SER 62 HG SER 62 -27.604 -6.684 -2.360 Start of MODEL 8 1 1H MET 1 H1 MET 1 -5.412 -18.468 19.961 2 2H MET 1 H2 MET 1 -7.021 -18.755 19.935 3 3H MET 1 H3 MET 1 -6.320 -18.148 21.288 4 HA MET 1 HA MET 1 -5.039 -20.176 21.588 5 1HB MET 1 2HB MET 1 -8.066 -20.537 21.420 6 2HB MET 1 3HB MET 1 -6.964 -21.750 22.069 7 1HG MET 1 2HG MET 1 -7.847 -20.578 23.914 8 2HG MET 1 3HG MET 1 -6.154 -20.127 23.763 9 1HE MET 1 1HE MET 1 -6.533 -18.192 25.508 10 2HE MET 1 2HE MET 1 -7.796 -16.949 25.362 11 3HE MET 1 3HE MET 1 -8.249 -18.643 25.654 12 H ASP 2 H ASP 2 -4.463 -22.254 20.890 13 HA ASP 2 HA ASP 2 -4.350 -22.628 18.046 14 1HB ASP 2 2HB ASP 2 -2.643 -23.285 19.803 15 2HB ASP 2 3HB ASP 2 -3.709 -24.614 20.259 16 H VAL 3 H VAL 3 -4.901 -24.762 17.001 17 HA VAL 3 HA VAL 3 -7.543 -25.898 17.831 18 HB VAL 3 HB VAL 3 -8.287 -25.871 15.482 19 1HG1 VAL 3 1HG1 VAL 3 -8.957 -23.547 15.384 20 2HG1 VAL 3 2HG1 VAL 3 -9.017 -24.114 17.061 21 3HG1 VAL 3 3HG1 VAL 3 -7.677 -23.078 16.521 22 1HG2 VAL 3 1HG2 VAL 3 -6.101 -25.673 14.326 23 2HG2 VAL 3 2HG2 VAL 3 -7.252 -24.433 13.815 24 3HG2 VAL 3 3HG2 VAL 3 -5.940 -24.009 14.932 25 H GLU 4 H GLU 4 -8.114 -27.878 16.588 26 HA GLU 4 HA GLU 4 -5.757 -29.547 15.852 27 1HB GLU 4 2HB GLU 4 -6.560 -29.700 18.331 28 2HB GLU 4 3HB GLU 4 -7.944 -30.581 17.688 29 1HG GLU 4 2HG GLU 4 -6.352 -32.264 16.705 30 2HG GLU 4 3HG GLU 4 -4.998 -31.316 17.312 31 H PHE 5 H PHE 5 -7.663 -28.253 14.190 32 HA PHE 5 HA PHE 5 -8.629 -30.524 12.583 33 1HB PHE 5 2HB PHE 5 -10.915 -29.508 12.397 34 2HB PHE 5 3HB PHE 5 -10.549 -30.177 13.971 35 HD1 PHE 5 HD1 PHE 5 -10.546 -28.819 15.958 36 HD2 PHE 5 HD2 PHE 5 -10.918 -26.974 12.075 37 HE1 PHE 5 HE1 PHE 5 -11.136 -26.660 17.038 38 HE2 PHE 5 HE2 PHE 5 -11.500 -24.818 13.159 39 HZ PHE 5 HZ PHE 5 -11.606 -24.656 15.639 40 H LYS 6 H LYS 6 -9.371 -29.877 10.462 41 HA LYS 6 HA LYS 6 -8.908 -27.237 9.381 42 1HB LYS 6 2HB LYS 6 -7.153 -27.901 7.767 43 2HB LYS 6 3HB LYS 6 -6.617 -27.882 9.425 44 1HG LYS 6 2HG LYS 6 -5.580 -29.714 8.381 45 2HG LYS 6 3HG LYS 6 -6.758 -30.390 9.503 46 1HD LYS 6 2HD LYS 6 -8.265 -30.941 7.672 47 2HD LYS 6 3HD LYS 6 -7.264 -30.024 6.519 48 1HE LYS 6 2HE LYS 6 -5.391 -31.611 6.928 49 2HE LYS 6 3HE LYS 6 -6.422 -32.534 8.031 50 1HZ LYS 6 1HZ LYS 6 -7.928 -32.955 6.161 51 2HZ LYS 6 2HZ LYS 6 -6.994 -32.086 5.147 52 3HZ LYS 6 3HZ LYS 6 -6.427 -33.481 5.782 53 H CYS 7 H CYS 7 -9.120 -27.444 6.859 54 HA CYS 7 HA CYS 7 -11.746 -28.256 6.330 55 1HB CYS 7 2HB CYS 7 -10.476 -26.491 5.152 56 2HB CYS 7 3HB CYS 7 -9.503 -27.744 4.341 57 H THR 8 H THR 8 -12.753 -29.957 5.383 58 HA THR 8 HA THR 8 -11.166 -32.385 4.642 59 HB THR 8 HB THR 8 -13.072 -33.698 5.485 60 HG1 THR 8 1HG THR 8 -14.579 -32.686 6.812 61 1HG2 THR 8 1HG2 THR 8 -12.582 -33.516 7.855 62 2HG2 THR 8 2HG2 THR 8 -11.085 -33.277 6.939 63 3HG2 THR 8 3HG2 THR 8 -11.928 -31.878 7.641 64 H CYS 9 H CYS 9 -13.480 -30.100 3.490 65 HA CYS 9 HA CYS 9 -14.528 -31.946 1.428 66 1HB CYS 9 2HB CYS 9 -16.207 -30.266 1.106 67 2HB CYS 9 3HB CYS 9 -16.088 -30.641 2.828 68 H SER 10 H SER 10 -12.058 -29.685 1.788 69 HA SER 10 HA SER 10 -10.539 -28.715 0.458 70 1HB SER 10 2HB SER 10 -11.539 -30.581 -1.710 71 2HB SER 10 3HB SER 10 -10.005 -29.708 -1.718 72 HG SER 10 HG SER 10 -9.340 -30.873 0.095 73 H ARG 11 H ARG 11 -10.092 -27.657 -1.770 74 HA ARG 11 HA ARG 11 -11.498 -25.250 -1.834 75 1HB ARG 11 2HB ARG 11 -9.187 -25.857 -2.734 76 2HB ARG 11 3HB ARG 11 -9.967 -26.417 -4.207 77 1HG ARG 11 2HG ARG 11 -10.871 -24.232 -4.680 78 2HG ARG 11 3HG ARG 11 -10.476 -23.645 -3.071 79 1HD ARG 11 2HD ARG 11 -8.923 -22.613 -4.439 80 2HD ARG 11 3HD ARG 11 -8.009 -23.926 -3.692 81 HE ARG 11 HE ARG 11 -8.559 -25.204 -5.885 82 1HH1 ARG 11 1HH1 ARG 11 -7.934 -21.681 -5.917 83 2HH1 ARG 11 2HH1 ARG 11 -7.441 -21.815 -7.607 84 1HH2 ARG 11 1HH2 ARG 11 -7.905 -25.076 -8.040 85 2HH2 ARG 11 2HH2 ARG 11 -7.455 -23.491 -8.672 86 H GLU 12 H GLU 12 -12.188 -28.118 -3.625 87 HA GLU 12 HA GLU 12 -13.784 -27.160 -5.738 88 1HB GLU 12 2HB GLU 12 -12.988 -29.509 -5.343 89 2HB GLU 12 3HB GLU 12 -14.279 -29.715 -4.156 90 1HG GLU 12 2HG GLU 12 -15.975 -29.298 -5.913 91 2HG GLU 12 3HG GLU 12 -14.697 -28.987 -7.092 92 H ARG 13 H ARG 13 -14.877 -27.762 -2.343 93 HA ARG 13 HA ARG 13 -17.667 -27.058 -2.966 94 1HB ARG 13 2HB ARG 13 -16.140 -27.278 -0.338 95 2HB ARG 13 3HB ARG 13 -17.822 -26.790 -0.436 96 1HG ARG 13 2HG ARG 13 -16.667 -29.489 -1.156 97 2HG ARG 13 3HG ARG 13 -17.818 -29.072 0.117 98 1HD ARG 13 2HD ARG 13 -18.296 -29.238 -2.856 99 2HD ARG 13 3HD ARG 13 -19.053 -30.190 -1.578 100 HE ARG 13 HE ARG 13 -19.952 -27.791 -0.845 101 1HH1 ARG 13 1HH2 ARG 13 -19.897 -29.057 -4.150 102 2HH1 ARG 13 2HH2 ARG 13 -21.006 -27.782 -4.668 103 1HH2 ARG 13 1HH1 ARG 13 -21.344 -26.246 -1.723 104 2HH2 ARG 13 2HH1 ARG 13 -21.734 -26.363 -3.440 105 H CYS 14 H CYS 14 -14.866 -25.254 -1.848 106 HA CYS 14 HA CYS 14 -16.257 -22.773 -1.343 107 1HB CYS 14 2HB CYS 14 -13.950 -23.589 -0.523 108 2HB CYS 14 3HB CYS 14 -13.326 -23.107 -2.109 109 HG CYS 14 HG CYS 14 -14.392 -20.648 -1.973 110 H ALA 15 H ALA 15 -14.663 -24.170 -4.195 111 HA ALA 15 HA ALA 15 -14.828 -21.955 -5.983 112 1HB ALA 15 1HB ALA 15 -14.539 -23.716 -7.709 113 2HB ALA 15 2HB ALA 15 -13.429 -23.976 -6.345 114 3HB ALA 15 3HB ALA 15 -14.885 -24.967 -6.520 115 H ASP 16 H ASP 16 -17.078 -24.709 -5.428 116 HA ASP 16 HA ASP 16 -19.083 -23.958 -7.299 117 1HB ASP 16 2HB ASP 16 -18.829 -26.170 -6.182 118 2HB ASP 16 3HB ASP 16 -19.366 -25.453 -4.667 119 H ALA 17 H ALA 17 -18.545 -22.944 -3.929 120 HA ALA 17 HA ALA 17 -21.015 -21.445 -3.694 121 1HB ALA 17 1HB ALA 17 -19.752 -22.368 -1.752 122 2HB ALA 17 2HB ALA 17 -18.427 -21.231 -2.086 123 3HB ALA 17 3HB ALA 17 -20.025 -20.623 -1.611 124 H LEU 18 H LEU 18 -17.721 -20.557 -4.863 125 HA LEU 18 HA LEU 18 -18.255 -17.708 -4.917 126 1HB LEU 18 2HB LEU 18 -16.024 -18.425 -4.552 127 2HB LEU 18 3HB LEU 18 -16.113 -19.662 -5.799 128 HG LEU 18 HG LEU 18 -16.108 -18.005 -7.536 129 1HD1 LEU 18 1HD1 LEU 18 -15.648 -15.980 -5.288 130 2HD1 LEU 18 2HD1 LEU 18 -15.453 -15.634 -7.024 131 3HD1 LEU 18 3HD1 LEU 18 -17.047 -16.016 -6.375 132 1HD2 LEU 18 1HD2 LEU 18 -13.989 -18.984 -6.750 133 2HD2 LEU 18 2HD2 LEU 18 -13.750 -17.324 -7.322 134 3HD2 LEU 18 3HD2 LEU 18 -13.809 -17.659 -5.578 135 H LYS 19 H LYS 19 -18.169 -20.347 -7.449 136 HA LYS 19 HA LYS 19 -18.600 -18.608 -9.611 137 1HB LYS 19 2HB LYS 19 -18.646 -20.570 -10.867 138 2HB LYS 19 3HB LYS 19 -17.576 -20.864 -9.534 139 1HG LYS 19 2HG LYS 19 -18.670 -22.848 -9.515 140 2HG LYS 19 3HG LYS 19 -19.717 -21.954 -8.419 141 1HD LYS 19 2HD LYS 19 -21.282 -21.510 -10.355 142 2HD LYS 19 3HD LYS 19 -20.199 -22.469 -11.387 143 1HE LYS 19 2HE LYS 19 -20.510 -24.414 -9.861 144 2HE LYS 19 3HE LYS 19 -21.603 -23.460 -8.859 145 1HZ LYS 19 1HZ LYS 19 -22.058 -24.126 -11.720 146 2HZ LYS 19 2HZ LYS 19 -22.752 -24.895 -10.467 147 3HZ LYS 19 3HZ LYS 19 -23.118 -23.319 -10.759 148 H THR 20 H THR 20 -21.009 -19.802 -7.388 149 HA THR 20 HA THR 20 -23.252 -19.400 -9.232 150 HB THR 20 HB THR 20 -24.651 -19.610 -7.144 151 HG1 THR 20 1HG THR 20 -23.569 -20.354 -5.313 152 1HG2 THR 20 1HG2 THR 20 -22.662 -21.839 -7.730 153 2HG2 THR 20 2HG2 THR 20 -24.195 -22.020 -6.852 154 3HG2 THR 20 3HG2 THR 20 -24.204 -21.549 -8.559 155 H LEU 21 H LEU 21 -21.316 -17.167 -7.459 156 HA LEU 21 HA LEU 21 -23.318 -15.199 -6.856 157 1HB LEU 21 2HB LEU 21 -20.325 -14.966 -7.394 158 2HB LEU 21 3HB LEU 21 -21.319 -13.683 -6.735 159 HG LEU 21 HG LEU 21 -20.773 -16.356 -5.374 160 1HD1 LEU 21 1HD1 LEU 21 -19.465 -15.019 -3.798 161 2HD1 LEU 21 2HD1 LEU 21 -18.844 -14.801 -5.442 162 3HD1 LEU 21 3HD1 LEU 21 -19.844 -13.534 -4.702 163 1HD2 LEU 21 1HD2 LEU 21 -22.343 -13.929 -4.404 164 2HD2 LEU 21 2HD2 LEU 21 -22.982 -15.566 -4.693 165 3HD2 LEU 21 3HD2 LEU 21 -21.833 -15.293 -3.384 166 HA PRO 22 HA PRO 22 -24.433 -13.337 -10.664 167 1HB PRO 22 2HB PRO 22 -23.436 -10.688 -9.609 168 2HB PRO 22 3HB PRO 22 -24.984 -11.069 -10.423 169 1HG PRO 22 2HG PRO 22 -24.893 -10.821 -7.728 170 2HG PRO 22 3HG PRO 22 -25.828 -12.159 -8.473 171 1HD PRO 22 2HD PRO 22 -23.069 -12.249 -7.244 172 2HD PRO 22 3HD PRO 22 -24.427 -13.400 -7.069 173 H ASP 23 H ASP 23 -23.552 -13.254 -12.639 174 HA ASP 23 HA ASP 23 -20.826 -13.594 -13.168 175 1HB ASP 23 2HB ASP 23 -22.740 -14.181 -14.645 176 2HB ASP 23 3HB ASP 23 -22.997 -12.478 -14.996 177 H GLU 24 H GLU 24 -22.715 -10.576 -13.409 178 HA GLU 24 HA GLU 24 -20.563 -8.926 -14.371 179 1HB GLU 24 2HB GLU 24 -23.005 -8.435 -14.576 180 2HB GLU 24 3HB GLU 24 -23.064 -8.097 -12.840 181 1HG GLU 24 2HG GLU 24 -21.463 -6.235 -13.137 182 2HG GLU 24 3HG GLU 24 -21.290 -6.633 -14.849 183 H GLU 25 H GLU 25 -21.688 -9.669 -11.044 184 HA GLU 25 HA GLU 25 -19.983 -7.760 -9.718 185 1HB GLU 25 2HB GLU 25 -21.983 -8.796 -8.691 186 2HB GLU 25 3HB GLU 25 -21.161 -10.364 -8.653 187 1HG GLU 25 2HG GLU 25 -19.473 -9.505 -7.122 188 2HG GLU 25 3HG GLU 25 -20.089 -7.860 -7.290 189 H VAL 26 H VAL 26 -19.553 -11.231 -10.529 190 HA VAL 26 HA VAL 26 -16.904 -11.506 -9.411 191 HB VAL 26 HB VAL 26 -18.402 -13.035 -11.574 192 1HG1 VAL 26 1HG1 VAL 26 -16.020 -13.398 -12.028 193 2HG1 VAL 26 2HG1 VAL 26 -15.722 -13.748 -10.311 194 3HG1 VAL 26 3HG1 VAL 26 -16.718 -14.840 -11.292 195 1HG2 VAL 26 1HG2 VAL 26 -17.687 -13.734 -8.687 196 2HG2 VAL 26 2HG2 VAL 26 -19.289 -13.223 -9.253 197 3HG2 VAL 26 3HG2 VAL 26 -18.608 -14.751 -9.816 198 H ASP 27 H ASP 27 -18.017 -10.724 -12.750 199 HA ASP 27 HA ASP 27 -15.474 -10.525 -13.955 200 1HB ASP 27 2HB ASP 27 -17.615 -10.634 -15.165 201 2HB ASP 27 3HB ASP 27 -18.031 -9.014 -14.601 202 H SER 28 H SER 28 -17.298 -7.948 -12.189 203 HA SER 28 HA SER 28 -15.563 -5.798 -12.839 204 1HB SER 28 2HB SER 28 -17.286 -6.292 -10.387 205 2HB SER 28 3HB SER 28 -16.382 -4.791 -10.665 206 HG SER 28 HG SER 28 -18.554 -4.688 -11.452 207 H ILE 29 H ILE 29 -15.245 -8.179 -10.115 208 HA ILE 29 HA ILE 29 -12.954 -6.853 -8.999 209 HB ILE 29 HB ILE 29 -13.592 -9.810 -8.746 210 1HG1 ILE 29 2HG1 ILE 29 -15.645 -8.663 -8.175 211 2HG1 ILE 29 3HG1 ILE 29 -14.901 -9.342 -6.761 212 1HG2 ILE 29 1HG2 ILE 29 -12.061 -7.816 -7.013 213 2HG2 ILE 29 2HG2 ILE 29 -12.487 -9.454 -6.492 214 3HG2 ILE 29 3HG2 ILE 29 -11.412 -9.222 -7.873 215 1HD1 ILE 29 1HD1 ILE 29 -14.819 -6.388 -7.537 216 2HD1 ILE 29 2HD1 ILE 29 -15.864 -7.122 -6.310 217 3HD1 ILE 29 3HD1 ILE 29 -14.112 -7.092 -6.060 218 H LEU 30 H LEU 30 -13.314 -9.564 -11.329 219 HA LEU 30 HA LEU 30 -10.499 -10.056 -11.602 220 1HB LEU 30 2HB LEU 30 -12.772 -10.626 -13.537 221 2HB LEU 30 3HB LEU 30 -11.139 -11.283 -13.653 222 HG LEU 30 HG LEU 30 -13.121 -11.825 -11.398 223 1HD1 LEU 30 1HD1 LEU 30 -12.030 -13.610 -13.605 224 2HD1 LEU 30 2HD1 LEU 30 -13.131 -14.108 -12.299 225 3HD1 LEU 30 3HD1 LEU 30 -13.672 -12.941 -13.513 226 1HD2 LEU 30 1HD2 LEU 30 -11.502 -13.497 -10.603 227 2HD2 LEU 30 2HD2 LEU 30 -10.314 -12.923 -11.795 228 3HD2 LEU 30 3HD2 LEU 30 -10.869 -11.871 -10.466 229 H ALA 31 H ALA 31 -12.582 -7.671 -13.155 230 HA ALA 31 HA ALA 31 -10.652 -6.871 -15.163 231 1HB ALA 31 1HB ALA 31 -13.128 -5.465 -14.072 232 2HB ALA 31 2HB ALA 31 -12.267 -5.062 -15.571 233 3HB ALA 31 3HB ALA 31 -13.099 -6.619 -15.426 234 H GLU 32 H GLU 32 -10.673 -6.265 -11.778 235 HA GLU 32 HA GLU 32 -8.910 -3.851 -12.139 236 1HB GLU 32 2HB GLU 32 -10.994 -4.338 -9.981 237 2HB GLU 32 3HB GLU 32 -9.800 -3.035 -9.974 238 1HG GLU 32 2HG GLU 32 -10.723 -2.234 -12.176 239 2HG GLU 32 3HG GLU 32 -12.018 -3.423 -12.026 240 H ASP 33 H ASP 33 -9.352 -6.884 -10.360 241 HA ASP 33 HA ASP 33 -6.624 -6.543 -9.157 242 1HB ASP 33 2HB ASP 33 -9.196 -7.631 -7.956 243 2HB ASP 33 3HB ASP 33 -7.611 -7.994 -7.298 244 H GLY 34 H GLY 34 -8.804 -8.668 -10.916 245 1HA GLY 34 2HA GLY 34 -8.313 -10.585 -12.117 246 2HA GLY 34 3HA GLY 34 -6.633 -10.442 -11.623 247 H GLU 35 H GLU 35 -8.451 -10.535 -8.789 248 HA GLU 35 HA GLU 35 -8.767 -13.444 -8.626 249 1HB GLU 35 2HB GLU 35 -7.283 -13.646 -6.646 250 2HB GLU 35 3HB GLU 35 -6.436 -13.276 -8.134 251 1HG GLU 35 2HG GLU 35 -6.258 -10.882 -7.421 252 2HG GLU 35 3HG GLU 35 -7.109 -11.287 -5.930 253 H ILE 36 H ILE 36 -9.801 -14.235 -6.803 254 HA ILE 36 HA ILE 36 -11.211 -12.332 -4.998 255 HB ILE 36 HB ILE 36 -12.512 -14.587 -6.591 256 1HG1 ILE 36 2HG1 ILE 36 -13.162 -11.617 -6.797 257 2HG1 ILE 36 3HG1 ILE 36 -12.062 -12.428 -7.912 258 1HG2 ILE 36 1HG2 ILE 36 -13.530 -14.426 -4.373 259 2HG2 ILE 36 2HG2 ILE 36 -13.667 -12.657 -4.519 260 3HG2 ILE 36 3HG2 ILE 36 -14.647 -13.730 -5.528 261 1HD1 ILE 36 1HD1 ILE 36 -13.859 -14.029 -8.516 262 2HD1 ILE 36 2HD1 ILE 36 -15.009 -13.022 -7.598 263 3HD1 ILE 36 3HD1 ILE 36 -14.151 -12.343 -8.990 264 H ASP 37 H ASP 37 -11.367 -13.096 -2.954 265 HA ASP 37 HA ASP 37 -10.421 -15.866 -2.311 266 1HB ASP 37 2HB ASP 37 -9.041 -14.064 -1.375 267 2HB ASP 37 3HB ASP 37 -10.464 -13.319 -0.649 268 H MET 38 H MET 38 -11.789 -17.222 -1.221 269 HA MET 38 HA MET 38 -14.461 -16.199 -0.360 270 1HB MET 38 2HB MET 38 -14.587 -17.104 -2.660 271 2HB MET 38 3HB MET 38 -13.934 -18.637 -2.099 272 1HG MET 38 2HG MET 38 -16.348 -18.767 -2.370 273 2HG MET 38 3HG MET 38 -15.933 -18.975 -0.679 274 1HE MET 38 1HE MET 38 -18.474 -18.680 -0.091 275 2HE MET 38 2HE MET 38 -19.455 -17.272 -0.557 276 3HE MET 38 3HE MET 38 -18.877 -18.399 -1.802 277 H HIS 39 H HIS 39 -15.517 -17.395 1.221 278 HA HIS 39 HA HIS 39 -13.695 -18.723 3.126 279 1HB HIS 39 2HB HIS 39 -14.969 -16.787 3.843 280 2HB HIS 39 3HB HIS 39 -16.479 -17.529 3.321 281 HD1 HIS 39 HD1 HIS 39 -13.803 -19.212 5.628 282 HD2 HIS 39 HD2 HIS 39 -17.767 -17.783 5.555 283 HE1 HIS 39 HE1 HIS 39 -14.818 -19.793 7.885 284 H CYS 40 H CYS 40 -13.794 -20.745 3.748 285 HA CYS 40 HA CYS 40 -15.695 -22.696 2.642 286 1HB CYS 40 2HB CYS 40 -13.225 -23.143 2.778 287 2HB CYS 40 3HB CYS 40 -13.324 -23.016 4.531 288 H ASP 41 H ASP 41 -17.553 -21.595 3.759 289 HA ASP 41 HA ASP 41 -17.735 -21.452 6.612 290 1HB ASP 41 2HB ASP 41 -20.053 -21.044 6.328 291 2HB ASP 41 3HB ASP 41 -19.205 -20.225 5.026 292 H TYR 42 H TYR 42 -17.783 -24.150 4.556 293 HA TYR 42 HA TYR 42 -19.343 -26.086 5.937 294 1HB TYR 42 2HB TYR 42 -16.834 -26.418 4.243 295 2HB TYR 42 3HB TYR 42 -18.002 -27.654 4.599 296 HD1 TYR 42 HD1 TYR 42 -17.167 -24.753 2.529 297 HD2 TYR 42 HD2 TYR 42 -20.287 -27.571 3.508 298 HE1 TYR 42 HE1 TYR 42 -18.425 -24.058 0.499 299 HE2 TYR 42 HE2 TYR 42 -21.527 -26.902 1.446 300 HH TYR 42 HH TYR 42 -20.293 -24.359 -0.757 301 H CYS 43 H CYS 43 -15.921 -25.166 6.181 302 HA CYS 43 HA CYS 43 -15.534 -26.976 8.543 303 1HB CYS 43 2HB CYS 43 -13.456 -26.103 6.502 304 2HB CYS 43 3HB CYS 43 -13.266 -27.300 7.786 305 H GLY 44 H GLY 44 -14.691 -23.747 7.221 306 1HA GLY 44 2HA GLY 44 -14.510 -21.866 8.760 307 2HA GLY 44 3HA GLY 44 -13.742 -22.905 9.959 308 H ASN 45 H ASN 45 -13.167 -22.415 6.464 309 HA ASN 45 HA ASN 45 -10.377 -21.463 6.937 310 1HB ASN 45 2HB ASN 45 -10.474 -23.977 6.648 311 2HB ASN 45 3HB ASN 45 -11.217 -23.738 5.072 312 1HD2 ASN 45 2HD2 ASN 45 -9.489 -24.808 3.970 313 2HD2 ASN 45 1HD2 ASN 45 -7.912 -24.053 3.847 314 H HIS 46 H HIS 46 -9.518 -21.126 4.358 315 HA HIS 46 HA HIS 46 -11.613 -19.850 2.740 316 1HB HIS 46 2HB HIS 46 -10.633 -17.719 2.612 317 2HB HIS 46 3HB HIS 46 -10.728 -18.073 4.329 318 HD1 HIS 46 HD1 HIS 46 -8.339 -16.887 1.775 319 HD2 HIS 46 HD2 HIS 46 -8.199 -19.046 5.399 320 HE1 HIS 46 HE1 HIS 46 -5.913 -16.810 2.571 321 H TYR 47 H TYR 47 -10.761 -19.211 0.535 322 HA TYR 47 HA TYR 47 -8.319 -20.595 -0.347 323 1HB TYR 47 2HB TYR 47 -11.135 -21.265 -1.307 324 2HB TYR 47 3HB TYR 47 -9.678 -21.654 -2.196 325 HD1 TYR 47 HD1 TYR 47 -11.875 -22.681 0.526 326 HD2 TYR 47 HD2 TYR 47 -7.973 -23.244 -1.227 327 HE1 TYR 47 HE1 TYR 47 -11.666 -24.870 1.701 328 HE2 TYR 47 HE2 TYR 47 -7.759 -25.424 -0.037 329 HH TYR 47 HH TYR 47 -10.327 -26.700 2.095 330 H LEU 48 H LEU 48 -7.484 -19.656 -2.181 331 HA LEU 48 HA LEU 48 -8.779 -17.179 -3.050 332 1HB LEU 48 2HB LEU 48 -6.622 -16.976 -1.907 333 2HB LEU 48 3HB LEU 48 -5.907 -18.205 -2.954 334 HG LEU 48 HG LEU 48 -6.187 -16.724 -4.888 335 1HD1 LEU 48 1HD1 LEU 48 -6.574 -14.273 -4.476 336 2HD1 LEU 48 2HD1 LEU 48 -8.008 -15.238 -4.120 337 3HD1 LEU 48 3HD1 LEU 48 -6.989 -14.645 -2.793 338 1HD2 LEU 48 1HD2 LEU 48 -4.604 -15.526 -2.578 339 2HD2 LEU 48 2HD2 LEU 48 -4.055 -16.814 -3.675 340 3HD2 LEU 48 3HD2 LEU 48 -4.341 -15.184 -4.303 341 H PHE 49 H PHE 49 -9.068 -16.758 -5.245 342 HA PHE 49 HA PHE 49 -8.395 -18.854 -7.265 343 1HB PHE 49 2HB PHE 49 -11.061 -17.414 -6.919 344 2HB PHE 49 3HB PHE 49 -10.656 -18.554 -8.190 345 HD1 PHE 49 HD1 PHE 49 -10.599 -20.954 -7.783 346 HD2 PHE 49 HD2 PHE 49 -11.482 -18.196 -4.590 347 HE1 PHE 49 HE1 PHE 49 -11.487 -22.816 -6.419 348 HE2 PHE 49 HE2 PHE 49 -12.362 -20.066 -3.217 349 HZ PHE 49 HZ PHE 49 -12.399 -22.376 -4.141 350 H ASN 50 H ASN 50 -8.153 -18.074 -9.382 351 HA ASN 50 HA ASN 50 -8.066 -15.107 -9.775 352 1HB ASN 50 2HB ASN 50 -6.141 -17.210 -10.843 353 2HB ASN 50 3HB ASN 50 -6.161 -15.532 -11.332 354 1HD2 ASN 50 2HD2 ASN 50 -4.823 -14.151 -10.269 355 2HD2 ASN 50 1HD2 ASN 50 -4.136 -14.476 -8.686 356 H ALA 51 H ALA 51 -8.027 -14.650 -12.241 357 HA ALA 51 HA ALA 51 -10.517 -15.414 -13.330 358 1HB ALA 51 1HB ALA 51 -9.691 -14.344 -15.396 359 2HB ALA 51 2HB ALA 51 -9.256 -13.384 -13.969 360 3HB ALA 51 3HB ALA 51 -8.028 -14.391 -14.771 361 H MET 52 H MET 52 -7.310 -16.866 -13.899 362 HA MET 52 HA MET 52 -8.071 -18.685 -15.976 363 1HB MET 52 2HB MET 52 -5.810 -18.949 -13.939 364 2HB MET 52 3HB MET 52 -5.977 -19.823 -15.463 365 1HG MET 52 2HG MET 52 -4.438 -18.159 -15.962 366 2HG MET 52 3HG MET 52 -5.945 -17.542 -16.632 367 1HE MET 52 1HE MET 52 -3.396 -15.752 -16.329 368 2HE MET 52 2HE MET 52 -4.960 -15.129 -16.904 369 3HE MET 52 3HE MET 52 -4.072 -14.265 -15.630 370 H ASP 53 H ASP 53 -8.037 -19.033 -12.399 371 HA ASP 53 HA ASP 53 -8.744 -21.842 -12.341 372 1HB ASP 53 2HB ASP 53 -9.118 -19.595 -10.297 373 2HB ASP 53 3HB ASP 53 -9.474 -21.280 -10.000 374 H ILE 54 H ILE 54 -10.599 -18.800 -12.032 375 HA ILE 54 HA ILE 54 -13.184 -19.928 -11.677 376 HB ILE 54 HB ILE 54 -12.151 -17.236 -12.600 377 1HG1 ILE 54 2HG1 ILE 54 -13.602 -18.082 -10.044 378 2HG1 ILE 54 3HG1 ILE 54 -11.852 -18.142 -10.199 379 1HG2 ILE 54 1HG2 ILE 54 -14.470 -16.357 -12.255 380 2HG2 ILE 54 2HG2 ILE 54 -14.332 -17.427 -13.640 381 3HG2 ILE 54 3HG2 ILE 54 -15.055 -18.031 -12.124 382 1HD1 ILE 54 1HD1 ILE 54 -11.792 -15.715 -10.680 383 2HD1 ILE 54 2HD1 ILE 54 -13.541 -15.628 -10.341 384 3HD1 ILE 54 3HD1 ILE 54 -12.408 -16.115 -9.068 385 H ALA 55 H ALA 55 -11.417 -19.094 -14.677 386 HA ALA 55 HA ALA 55 -13.548 -19.594 -16.500 387 1HB ALA 55 1HB ALA 55 -11.452 -18.461 -17.111 388 2HB ALA 55 2HB ALA 55 -10.542 -19.966 -16.842 389 3HB ALA 55 3HB ALA 55 -11.736 -19.871 -18.154 390 H GLU 56 H GLU 56 -11.212 -21.891 -14.995 391 HA GLU 56 HA GLU 56 -12.243 -24.189 -16.501 392 1HB GLU 56 2HB GLU 56 -10.463 -24.007 -14.031 393 2HB GLU 56 3HB GLU 56 -10.948 -25.515 -14.816 394 1HG GLU 56 2HG GLU 56 -9.954 -24.660 -16.970 395 2HG GLU 56 3HG GLU 56 -9.311 -23.281 -16.080 396 H ILE 57 H ILE 57 -12.793 -22.841 -13.224 397 HA ILE 57 HA ILE 57 -14.546 -24.876 -12.251 398 HB ILE 57 HB ILE 57 -14.281 -21.915 -11.647 399 1HG1 ILE 57 2HG1 ILE 57 -13.528 -24.278 -9.879 400 2HG1 ILE 57 3HG1 ILE 57 -12.416 -23.678 -11.092 401 1HG2 ILE 57 1HG2 ILE 57 -15.960 -23.972 -10.137 402 2HG2 ILE 57 2HG2 ILE 57 -15.600 -22.330 -9.569 403 3HG2 ILE 57 3HG2 ILE 57 -16.572 -22.554 -11.015 404 1HD1 ILE 57 1HD1 ILE 57 -12.395 -21.441 -10.053 405 2HD1 ILE 57 2HD1 ILE 57 -13.509 -21.996 -8.796 406 3HD1 ILE 57 3HD1 ILE 57 -11.893 -22.713 -8.929 407 H ARG 58 H ARG 58 -15.269 -21.946 -14.157 408 HA ARG 58 HA ARG 58 -18.133 -22.265 -14.307 409 1HB ARG 58 2HB ARG 58 -16.077 -20.808 -16.012 410 2HB ARG 58 3HB ARG 58 -17.807 -20.738 -16.356 411 1HG ARG 58 2HG ARG 58 -18.316 -19.662 -14.275 412 2HG ARG 58 3HG ARG 58 -16.722 -20.010 -13.610 413 1HD ARG 58 2HD ARG 58 -16.688 -17.719 -14.185 414 2HD ARG 58 3HD ARG 58 -15.696 -18.546 -15.374 415 HE ARG 58 HE ARG 58 -17.413 -18.249 -17.039 416 1HH1 ARG 58 1HH2 ARG 58 -18.223 -16.487 -14.071 417 2HH1 ARG 58 2HH2 ARG 58 -19.279 -15.410 -14.996 418 1HH2 ARG 58 1HH1 ARG 58 -18.841 -16.760 -18.004 419 2HH2 ARG 58 2HH1 ARG 58 -19.589 -15.555 -16.951 420 H ASN 59 H ASN 59 -15.693 -24.110 -15.781 421 HA ASN 59 HA ASN 59 -17.616 -25.315 -17.734 422 1HB ASN 59 2HB ASN 59 -14.614 -24.816 -17.928 423 2HB ASN 59 3HB ASN 59 -15.484 -25.894 -19.014 424 1HD2 ASN 59 2HD2 ASN 59 -14.805 -22.539 -18.305 425 2HD2 ASN 59 1HD2 ASN 59 -15.753 -21.914 -19.653 426 H ASN 60 H ASN 60 -16.709 -25.930 -14.768 427 HA ASN 60 HA ASN 60 -16.573 -28.888 -15.169 428 1HB ASN 60 2HB ASN 60 -14.272 -28.016 -14.799 429 2HB ASN 60 3HB ASN 60 -14.798 -27.265 -13.294 430 1HD2 ASN 60 2HD2 ASN 60 -14.223 -28.486 -11.513 431 2HD2 ASN 60 1HD2 ASN 60 -14.125 -30.238 -11.518 432 H ALA 61 H ALA 61 -17.349 -26.180 -12.940 433 HA ALA 61 HA ALA 61 -18.834 -27.983 -11.123 434 1HB ALA 61 1HB ALA 61 -18.356 -24.974 -11.025 435 2HB ALA 61 2HB ALA 61 -18.991 -26.000 -9.718 436 3HB ALA 61 3HB ALA 61 -17.318 -26.202 -10.261 437 H SER 62 H SER 62 -19.568 -26.662 -14.034 438 HA SER 62 HA SER 62 -22.500 -26.407 -13.515 439 1HB SER 62 2HB SER 62 -20.796 -24.611 -15.289 440 2HB SER 62 3HB SER 62 -22.567 -24.606 -15.215 441 HG SER 62 HG SER 62 -21.596 -22.995 -13.861 Start of MODEL 9 1 1H MET 1 H1 MET 1 21.934 -54.177 11.591 2 2H MET 1 H2 MET 1 21.256 -55.621 11.232 3 3H MET 1 H3 MET 1 21.777 -54.637 10.029 4 HA MET 1 HA MET 1 20.128 -52.984 10.581 5 1HB MET 1 2HB MET 1 19.655 -54.849 8.919 6 2HB MET 1 3HB MET 1 18.800 -55.704 10.205 7 1HG MET 1 2HG MET 1 17.287 -54.466 8.732 8 2HG MET 1 3HG MET 1 17.188 -53.855 10.380 9 1HE MET 1 1HE MET 1 16.548 -50.867 7.706 10 2HE MET 1 2HE MET 1 16.406 -52.578 7.249 11 3HE MET 1 3HE MET 1 15.741 -52.015 8.795 12 H ASP 2 H ASP 2 18.778 -52.092 12.095 13 HA ASP 2 HA ASP 2 18.068 -53.691 14.508 14 1HB ASP 2 2HB ASP 2 18.880 -52.039 15.964 15 2HB ASP 2 3HB ASP 2 20.171 -52.323 14.808 16 H VAL 3 H VAL 3 16.504 -52.650 12.135 17 HA VAL 3 HA VAL 3 14.149 -51.768 13.651 18 HB VAL 3 HB VAL 3 15.305 -49.664 13.084 19 1HG1 VAL 3 1HG1 VAL 3 16.420 -50.298 10.977 20 2HG1 VAL 3 2HG1 VAL 3 14.841 -50.375 10.165 21 3HG1 VAL 3 3HG1 VAL 3 15.445 -48.834 10.797 22 1HG2 VAL 3 1HG2 VAL 3 12.731 -49.914 11.496 23 2HG2 VAL 3 2HG2 VAL 3 12.831 -49.741 13.266 24 3HG2 VAL 3 3HG2 VAL 3 13.437 -48.459 12.208 25 H GLU 4 H GLU 4 12.158 -52.152 12.521 26 HA GLU 4 HA GLU 4 12.396 -54.170 10.361 27 1HB GLU 4 2HB GLU 4 10.248 -53.619 12.453 28 2HB GLU 4 3HB GLU 4 10.137 -54.855 11.200 29 1HG GLU 4 2HG GLU 4 12.206 -55.935 12.075 30 2HG GLU 4 3HG GLU 4 12.244 -54.762 13.393 31 H PHE 5 H PHE 5 12.435 -51.294 9.890 32 HA PHE 5 HA PHE 5 10.545 -51.212 7.642 33 1HB PHE 5 2HB PHE 5 9.185 -50.278 9.481 34 2HB PHE 5 3HB PHE 5 10.460 -49.130 9.869 35 HD1 PHE 5 HD1 PHE 5 10.841 -47.132 8.480 36 HD2 PHE 5 HD2 PHE 5 7.844 -50.042 7.394 37 HE1 PHE 5 HE1 PHE 5 9.915 -45.554 6.805 38 HE2 PHE 5 HE2 PHE 5 6.918 -48.455 5.720 39 HZ PHE 5 HZ PHE 5 7.953 -46.211 5.422 40 H LYS 6 H LYS 6 11.253 -49.961 5.979 41 HA LYS 6 HA LYS 6 13.122 -47.819 6.201 42 1HB LYS 6 2HB LYS 6 14.489 -50.149 6.294 43 2HB LYS 6 3HB LYS 6 14.257 -50.100 4.560 44 1HG LYS 6 2HG LYS 6 16.431 -49.216 5.248 45 2HG LYS 6 3HG LYS 6 15.499 -47.951 4.456 46 1HD LYS 6 2HD LYS 6 15.005 -46.884 6.597 47 2HD LYS 6 3HD LYS 6 15.697 -48.250 7.489 48 1HE LYS 6 2HE LYS 6 17.913 -47.761 6.689 49 2HE LYS 6 3HE LYS 6 17.315 -46.575 5.524 50 1HZ LYS 6 1HZ LYS 6 16.764 -45.082 7.268 51 2HZ LYS 6 2HZ LYS 6 16.969 -46.215 8.448 52 3HZ LYS 6 3HZ LYS 6 18.254 -45.627 7.633 53 H CYS 7 H CYS 7 13.953 -47.426 3.752 54 HA CYS 7 HA CYS 7 11.877 -46.330 2.331 55 1HB CYS 7 2HB CYS 7 14.471 -46.083 2.241 56 2HB CYS 7 3HB CYS 7 14.411 -47.356 1.016 57 H THR 8 H THR 8 10.687 -46.799 0.455 58 HA THR 8 HA THR 8 10.127 -49.640 0.011 59 HB THR 8 HB THR 8 8.264 -49.055 -1.215 60 HG1 THR 8 1HG THR 8 9.132 -46.362 -1.310 61 1HG2 THR 8 1HG2 THR 8 6.964 -47.622 0.221 62 2HG2 THR 8 2HG2 THR 8 8.049 -48.610 1.214 63 3HG2 THR 8 3HG2 THR 8 8.425 -46.897 0.921 64 H CYS 9 H CYS 9 12.199 -47.348 -1.542 65 HA CYS 9 HA CYS 9 12.414 -49.072 -3.951 66 1HB CYS 9 2HB CYS 9 13.257 -47.082 -5.080 67 2HB CYS 9 3HB CYS 9 11.582 -46.948 -4.550 68 H SER 10 H SER 10 14.778 -46.727 -2.903 69 HA SER 10 HA SER 10 16.662 -48.670 -1.784 70 1HB SER 10 2HB SER 10 16.838 -49.222 -4.189 71 2HB SER 10 3HB SER 10 17.164 -47.523 -4.569 72 HG SER 10 HG SER 10 19.038 -48.981 -4.367 73 H ARG 11 H ARG 11 18.596 -47.805 -1.059 74 HA ARG 11 HA ARG 11 18.729 -45.139 -0.032 75 1HB ARG 11 2HB ARG 11 19.959 -47.234 0.711 76 2HB ARG 11 3HB ARG 11 21.029 -47.049 -0.667 77 1HG ARG 11 2HG ARG 11 21.837 -44.893 0.166 78 2HG ARG 11 3HG ARG 11 20.668 -44.924 1.499 79 1HD ARG 11 2HD ARG 11 21.744 -46.957 2.402 80 2HD ARG 11 3HD ARG 11 22.883 -46.976 1.060 81 HE ARG 11 HE ARG 11 22.749 -44.907 3.236 82 1HH1 ARG 11 1HH2 ARG 11 24.748 -46.405 0.739 83 2HH1 ARG 11 2HH2 ARG 11 26.186 -45.599 1.353 84 1HH2 ARG 11 1HH1 ARG 11 24.636 -44.038 3.947 85 2HH2 ARG 11 2HH1 ARG 11 26.141 -44.406 3.125 86 H GLU 12 H GLU 12 19.733 -46.536 -3.037 87 HA GLU 12 HA GLU 12 21.471 -44.550 -4.089 88 1HB GLU 12 2HB GLU 12 21.001 -46.850 -4.992 89 2HB GLU 12 3HB GLU 12 19.468 -46.250 -5.631 90 1HG GLU 12 2HG GLU 12 20.687 -44.627 -7.053 91 2HG GLU 12 3HG GLU 12 22.223 -45.152 -6.356 92 H ARG 13 H ARG 13 17.893 -44.605 -4.027 93 HA ARG 13 HA ARG 13 17.530 -42.268 -5.747 94 1HB ARG 13 2HB ARG 13 15.682 -43.509 -3.668 95 2HB ARG 13 3HB ARG 13 15.250 -42.254 -4.816 96 1HG ARG 13 2HG ARG 13 16.059 -45.107 -5.500 97 2HG ARG 13 3HG ARG 13 14.453 -44.380 -5.594 98 1HD ARG 13 2HD ARG 13 15.276 -42.793 -7.320 99 2HD ARG 13 3HD ARG 13 16.831 -43.655 -7.331 100 HE ARG 13 HE ARG 13 14.975 -45.657 -7.725 101 1HH1 ARG 13 1HH1 ARG 13 15.626 -42.694 -9.481 102 2HH1 ARG 13 2HH1 ARG 13 15.059 -43.358 -10.988 103 1HH2 ARG 13 1HH2 ARG 13 14.264 -46.436 -9.678 104 2HH2 ARG 13 2HH2 ARG 13 14.314 -45.422 -11.089 105 H CYS 14 H CYS 14 17.627 -42.746 -2.242 106 HA CYS 14 HA CYS 14 17.382 -39.992 -1.472 107 1HB CYS 14 2HB CYS 14 17.092 -42.059 -0.043 108 2HB CYS 14 3HB CYS 14 18.847 -42.242 -0.018 109 HG CYS 14 HG CYS 14 17.095 -39.557 0.836 110 H ALA 15 H ALA 15 20.227 -41.989 -2.255 111 HA ALA 15 HA ALA 15 22.271 -40.079 -1.684 112 1HB ALA 15 1HB ALA 15 22.646 -42.512 -2.062 113 2HB ALA 15 2HB ALA 15 22.242 -42.301 -3.776 114 3HB ALA 15 3HB ALA 15 23.667 -41.510 -3.109 115 H ASP 16 H ASP 16 20.413 -40.689 -4.716 116 HA ASP 16 HA ASP 16 21.713 -38.674 -6.303 117 1HB ASP 16 2HB ASP 16 20.319 -40.563 -7.166 118 2HB ASP 16 3HB ASP 16 18.881 -39.774 -6.527 119 H ALA 17 H ALA 17 18.940 -38.560 -4.061 120 HA ALA 17 HA ALA 17 18.195 -35.830 -4.620 121 1HB ALA 17 1HB ALA 17 16.721 -37.518 -3.514 122 2HB ALA 17 2HB ALA 17 17.741 -37.426 -2.061 123 3HB ALA 17 3HB ALA 17 16.853 -35.996 -2.613 124 H LEU 18 H LEU 18 20.529 -37.277 -2.262 125 HA LEU 18 HA LEU 18 21.240 -34.883 -0.879 126 1HB LEU 18 2HB LEU 18 21.770 -36.926 0.159 127 2HB LEU 18 3HB LEU 18 22.295 -37.673 -1.326 128 HG LEU 18 HG LEU 18 24.329 -36.366 -1.322 129 1HD1 LEU 18 1HD1 LEU 18 23.442 -35.485 1.477 130 2HD1 LEU 18 2HD1 LEU 18 25.065 -35.232 0.796 131 3HD1 LEU 18 3HD1 LEU 18 23.672 -34.411 0.086 132 1HD2 LEU 18 1HD2 LEU 18 25.432 -37.622 0.461 133 2HD2 LEU 18 2HD2 LEU 18 23.868 -37.924 1.250 134 3HD2 LEU 18 3HD2 LEU 18 24.224 -38.635 -0.339 135 H LYS 19 H LYS 19 22.607 -36.461 -3.858 136 HA LYS 19 HA LYS 19 24.738 -34.816 -4.353 137 1HB LYS 19 2HB LYS 19 23.831 -37.004 -5.386 138 2HB LYS 19 3HB LYS 19 22.855 -35.998 -6.453 139 1HG LYS 19 2HG LYS 19 25.800 -35.492 -6.176 140 2HG LYS 19 3HG LYS 19 25.242 -36.915 -7.042 141 1HD LYS 19 2HD LYS 19 24.366 -35.753 -8.818 142 2HD LYS 19 3HD LYS 19 23.903 -34.363 -7.874 143 1HE LYS 19 2HE LYS 19 26.761 -35.003 -8.731 144 2HE LYS 19 3HE LYS 19 25.668 -33.857 -9.514 145 1HZ LYS 19 1HZ LYS 19 26.845 -33.611 -6.812 146 2HZ LYS 19 2HZ LYS 19 26.971 -32.565 -8.060 147 3HZ LYS 19 3HZ LYS 19 25.550 -32.730 -7.246 148 H THR 20 H THR 20 21.396 -33.822 -4.635 149 HA THR 20 HA THR 20 21.773 -31.720 -6.578 150 HB THR 20 HB THR 20 19.680 -30.796 -5.836 151 HG1 THR 20 1HG THR 20 19.553 -32.758 -3.804 152 1HG2 THR 20 1HG2 THR 20 18.174 -32.685 -6.173 153 2HG2 THR 20 2HG2 THR 20 19.550 -32.777 -7.285 154 3HG2 THR 20 3HG2 THR 20 19.489 -33.837 -5.862 155 H LEU 21 H LEU 21 22.597 -31.880 -3.170 156 HA LEU 21 HA LEU 21 22.642 -29.048 -2.666 157 1HB LEU 21 2HB LEU 21 24.055 -31.381 -1.318 158 2HB LEU 21 3HB LEU 21 23.948 -29.752 -0.664 159 HG LEU 21 HG LEU 21 21.620 -31.679 -1.100 160 1HD1 LEU 21 1HD1 LEU 21 23.117 -32.204 0.805 161 2HD1 LEU 21 2HD1 LEU 21 22.873 -30.564 1.443 162 3HD1 LEU 21 3HD1 LEU 21 21.506 -31.699 1.339 163 1HD2 LEU 21 1HD2 LEU 21 21.627 -28.847 0.030 164 2HD2 LEU 21 2HD2 LEU 21 20.790 -29.406 -1.439 165 3HD2 LEU 21 3HD2 LEU 21 20.270 -29.991 0.142 166 HA PRO 22 HA PRO 22 26.419 -27.795 -4.649 167 1HB PRO 22 2HB PRO 22 27.122 -26.319 -2.121 168 2HB PRO 22 3HB PRO 22 27.073 -25.717 -3.803 169 1HG PRO 22 2HG PRO 22 25.083 -25.127 -2.043 170 2HG PRO 22 3HG PRO 22 24.709 -25.525 -3.751 171 1HD PRO 22 2HD PRO 22 24.509 -27.311 -1.321 172 2HD PRO 22 3HD PRO 22 23.378 -27.113 -2.693 173 H ASP 23 H ASP 23 28.530 -28.537 -4.848 174 HA ASP 23 HA ASP 23 29.477 -30.728 -3.352 175 1HB ASP 23 2HB ASP 23 30.195 -30.132 -5.630 176 2HB ASP 23 3HB ASP 23 30.996 -28.687 -5.030 177 H GLU 24 H GLU 24 30.408 -27.302 -3.063 178 HA GLU 24 HA GLU 24 32.363 -27.659 -0.970 179 1HB GLU 24 2HB GLU 24 30.730 -25.210 -1.764 180 2HB GLU 24 3HB GLU 24 32.092 -25.204 -0.635 181 1HG GLU 24 2HG GLU 24 33.585 -26.068 -2.433 182 2HG GLU 24 3HG GLU 24 32.241 -26.002 -3.576 183 H GLU 25 H GLU 25 28.839 -27.111 -0.857 184 HA GLU 25 HA GLU 25 28.733 -26.657 2.008 185 1HB GLU 25 2HB GLU 25 27.005 -25.888 0.373 186 2HB GLU 25 3HB GLU 25 26.516 -27.571 0.124 187 1HG GLU 25 2HG GLU 25 25.892 -27.773 2.490 188 2HG GLU 25 3HG GLU 25 26.516 -26.156 2.825 189 H VAL 26 H VAL 26 28.180 -29.520 -0.088 190 HA VAL 26 HA VAL 26 27.586 -31.422 1.973 191 HB VAL 26 HB VAL 26 28.774 -31.679 -0.816 192 1HG1 VAL 26 1HG1 VAL 26 28.291 -34.084 -0.740 193 2HG1 VAL 26 2HG1 VAL 26 29.527 -33.663 0.446 194 3HG1 VAL 26 3HG1 VAL 26 27.856 -33.961 0.974 195 1HG2 VAL 26 1HG2 VAL 26 26.392 -30.948 -0.629 196 2HG2 VAL 26 2HG2 VAL 26 26.542 -32.539 -1.378 197 3HG2 VAL 26 3HG2 VAL 26 26.031 -32.401 0.319 198 H ASP 27 H ASP 27 30.726 -30.540 0.446 199 HA ASP 27 HA ASP 27 32.337 -32.290 2.016 200 1HB ASP 27 2HB ASP 27 32.916 -31.100 -0.144 201 2HB ASP 27 3HB ASP 27 33.152 -29.626 0.795 202 H SER 28 H SER 28 31.167 -28.976 2.694 203 HA SER 28 HA SER 28 32.826 -28.437 4.956 204 1HB SER 28 2HB SER 28 30.033 -27.406 4.328 205 2HB SER 28 3HB SER 28 31.083 -26.800 5.614 206 HG SER 28 HG SER 28 31.588 -26.767 2.810 207 H ILE 29 H ILE 29 29.635 -30.165 4.808 208 HA ILE 29 HA ILE 29 29.424 -30.385 7.666 209 HB ILE 29 HB ILE 29 28.219 -32.250 5.599 210 1HG1 ILE 29 2HG1 ILE 29 27.566 -30.032 4.930 211 2HG1 ILE 29 3HG1 ILE 29 26.212 -30.866 5.616 212 1HG2 ILE 29 1HG2 ILE 29 28.023 -33.103 7.872 213 2HG2 ILE 29 2HG2 ILE 29 27.436 -31.544 8.467 214 3HG2 ILE 29 3HG2 ILE 29 26.440 -32.513 7.363 215 1HD1 ILE 29 1HD1 ILE 29 26.451 -29.551 7.726 216 2HD1 ILE 29 2HD1 ILE 29 27.860 -28.715 7.027 217 3HD1 ILE 29 3HD1 ILE 29 26.256 -28.510 6.307 218 H LEU 30 H LEU 30 30.827 -32.516 5.145 219 HA LEU 30 HA LEU 30 31.543 -34.682 6.887 220 1HB LEU 30 2HB LEU 30 32.840 -33.725 4.305 221 2HB LEU 30 3HB LEU 30 33.173 -35.263 5.093 222 HG LEU 30 HG LEU 30 30.452 -34.436 3.991 223 1HD1 LEU 30 1HD1 LEU 30 32.639 -36.245 2.899 224 2HD1 LEU 30 2HD1 LEU 30 30.986 -36.142 2.253 225 3HD1 LEU 30 3HD1 LEU 30 32.046 -34.728 2.197 226 1HD2 LEU 30 1HD2 LEU 30 29.913 -36.860 4.234 227 2HD2 LEU 30 2HD2 LEU 30 31.440 -37.084 5.120 228 3HD2 LEU 30 3HD2 LEU 30 30.152 -36.050 5.781 229 H ALA 31 H ALA 31 33.246 -31.667 6.053 230 HA ALA 31 HA ALA 31 35.689 -32.241 7.452 231 1HB ALA 31 1HB ALA 31 35.393 -30.538 5.637 232 2HB ALA 31 2HB ALA 31 34.394 -29.569 6.754 233 3HB ALA 31 3HB ALA 31 36.106 -29.849 7.110 234 H GLU 32 H GLU 32 32.587 -31.605 8.753 235 HA GLU 32 HA GLU 32 33.725 -30.540 11.313 236 1HB GLU 32 2HB GLU 32 32.284 -29.047 9.785 237 2HB GLU 32 3HB GLU 32 30.935 -30.092 10.217 238 1HG GLU 32 2HG GLU 32 30.872 -28.143 11.580 239 2HG GLU 32 3HG GLU 32 31.311 -29.489 12.626 240 H ASP 33 H ASP 33 31.534 -32.966 9.929 241 HA ASP 33 HA ASP 33 31.361 -34.257 12.621 242 1HB ASP 33 2HB ASP 33 29.287 -32.863 11.924 243 2HB ASP 33 3HB ASP 33 29.001 -34.112 10.724 244 H GLY 34 H GLY 34 31.999 -34.711 9.275 245 1HA GLY 34 2HA GLY 34 32.779 -36.574 8.176 246 2HA GLY 34 3HA GLY 34 32.584 -37.513 9.651 247 H GLU 35 H GLU 35 29.539 -36.282 9.140 248 HA GLU 35 HA GLU 35 28.672 -38.149 7.049 249 1HB GLU 35 2HB GLU 35 27.073 -39.336 8.504 250 2HB GLU 35 3HB GLU 35 28.743 -39.650 8.943 251 1HG GLU 35 2HG GLU 35 28.531 -37.990 10.819 252 2HG GLU 35 3HG GLU 35 26.840 -37.742 10.372 253 H ILE 36 H ILE 36 26.411 -38.005 6.515 254 HA ILE 36 HA ILE 36 25.060 -35.425 7.200 255 HB ILE 36 HB ILE 36 25.417 -36.597 4.409 256 1HG1 ILE 36 2HG1 ILE 36 26.725 -34.094 5.554 257 2HG1 ILE 36 3HG1 ILE 36 27.552 -35.630 5.304 258 1HG2 ILE 36 1HG2 ILE 36 24.389 -34.462 3.636 259 2HG2 ILE 36 2HG2 ILE 36 23.291 -35.353 4.661 260 3HG2 ILE 36 3HG2 ILE 36 24.173 -33.957 5.323 261 1HD1 ILE 36 1HD1 ILE 36 26.469 -33.817 3.149 262 2HD1 ILE 36 2HD1 ILE 36 28.138 -34.310 3.468 263 3HD1 ILE 36 3HD1 ILE 36 26.971 -35.505 2.868 264 H ASP 37 H ASP 37 22.878 -35.579 7.425 265 HA ASP 37 HA ASP 37 21.519 -38.205 7.027 266 1HB ASP 37 2HB ASP 37 20.864 -35.710 8.652 267 2HB ASP 37 3HB ASP 37 19.758 -37.052 8.420 268 H MET 38 H MET 38 20.110 -38.425 5.368 269 HA MET 38 HA MET 38 18.744 -36.060 4.220 270 1HB MET 38 2HB MET 38 20.780 -36.454 2.850 271 2HB MET 38 3HB MET 38 20.233 -38.099 2.518 272 1HG MET 38 2HG MET 38 19.755 -36.535 0.658 273 2HG MET 38 3HG MET 38 18.304 -37.267 1.288 274 1HE MET 38 1HE MET 38 16.865 -35.529 -0.042 275 2HE MET 38 2HE MET 38 17.055 -33.766 0.074 276 3HE MET 38 3HE MET 38 18.334 -34.747 -0.672 277 H HIS 39 H HIS 39 16.844 -36.581 2.957 278 HA HIS 39 HA HIS 39 15.603 -39.198 3.670 279 1HB HIS 39 2HB HIS 39 13.458 -38.021 3.771 280 2HB HIS 39 3HB HIS 39 14.596 -37.454 4.986 281 HD1 HIS 39 HD1 HIS 39 15.216 -34.863 4.890 282 HD2 HIS 39 HD2 HIS 39 12.947 -36.307 1.650 283 HE1 HIS 39 HE1 HIS 39 14.491 -32.815 3.555 284 H CYS 40 H CYS 40 14.486 -40.298 2.158 285 HA CYS 40 HA CYS 40 15.167 -40.081 -0.565 286 1HB CYS 40 2HB CYS 40 14.479 -42.144 0.570 287 2HB CYS 40 3HB CYS 40 12.854 -41.492 0.831 288 H ASP 41 H ASP 41 14.404 -38.881 -2.214 289 HA ASP 41 HA ASP 41 12.393 -36.851 -1.870 290 1HB ASP 41 2HB ASP 41 14.379 -36.729 -3.382 291 2HB ASP 41 3HB ASP 41 13.643 -37.951 -4.419 292 H TYR 42 H TYR 42 12.090 -40.194 -2.611 293 HA TYR 42 HA TYR 42 9.484 -39.936 -4.006 294 1HB TYR 42 2HB TYR 42 11.333 -42.304 -3.506 295 2HB TYR 42 3HB TYR 42 9.863 -42.332 -4.422 296 HD1 TYR 42 HD1 TYR 42 9.788 -41.470 -6.720 297 HD2 TYR 42 HD2 TYR 42 13.371 -41.100 -4.334 298 HE1 TYR 42 HE1 TYR 42 11.083 -40.820 -8.753 299 HE2 TYR 42 HE2 TYR 42 14.640 -40.394 -6.355 300 HH TYR 42 HH TYR 42 14.561 -39.965 -8.606 301 H CYS 43 H CYS 43 10.949 -41.422 -1.120 302 HA CYS 43 HA CYS 43 8.261 -42.272 -0.129 303 1HB CYS 43 2HB CYS 43 11.001 -43.277 0.718 304 2HB CYS 43 3HB CYS 43 9.425 -44.009 1.048 305 H GLY 44 H GLY 44 10.803 -40.028 0.718 306 1HA GLY 44 2HA GLY 44 10.953 -38.562 2.494 307 2HA GLY 44 3HA GLY 44 9.469 -39.230 3.181 308 H ASN 45 H ASN 45 11.329 -41.904 2.739 309 HA ASN 45 HA ASN 45 11.968 -42.325 5.492 310 1HB ASN 45 2HB ASN 45 11.474 -44.162 3.953 311 2HB ASN 45 3HB ASN 45 12.835 -43.720 2.914 312 1HD2 ASN 45 2HD2 ASN 45 14.985 -44.201 3.606 313 2HD2 ASN 45 1HD2 ASN 45 15.276 -45.262 4.962 314 H HIS 46 H HIS 46 13.815 -41.933 6.678 315 HA HIS 46 HA HIS 46 15.939 -40.335 5.452 316 1HB HIS 46 2HB HIS 46 16.721 -40.107 7.797 317 2HB HIS 46 3HB HIS 46 15.081 -39.550 7.507 318 HD1 HIS 46 HD1 HIS 46 13.234 -40.571 9.071 319 HD2 HIS 46 HD2 HIS 46 16.896 -42.642 9.065 320 HE1 HIS 46 HE1 HIS 46 13.041 -42.367 10.870 321 H TYR 47 H TYR 47 18.141 -40.727 5.514 322 HA TYR 47 HA TYR 47 19.243 -43.369 6.184 323 1HB TYR 47 2HB TYR 47 19.229 -42.033 3.445 324 2HB TYR 47 3HB TYR 47 20.534 -43.087 3.928 325 HD1 TYR 47 HD1 TYR 47 17.293 -42.973 2.444 326 HD2 TYR 47 HD2 TYR 47 20.041 -45.500 4.602 327 HE1 TYR 47 HE1 TYR 47 16.254 -45.000 1.410 328 HE2 TYR 47 HE2 TYR 47 18.973 -47.519 3.613 329 HH TYR 47 HH TYR 47 17.396 -48.318 2.175 330 H LEU 48 H LEU 48 21.545 -43.213 6.330 331 HA LEU 48 HA LEU 48 22.554 -40.457 6.652 332 1HB LEU 48 2HB LEU 48 23.872 -41.061 8.481 333 2HB LEU 48 3HB LEU 48 22.276 -41.709 8.809 334 HG LEU 48 HG LEU 48 24.723 -43.300 7.894 335 1HD1 LEU 48 1HD1 LEU 48 23.288 -43.200 10.575 336 2HD1 LEU 48 2HD1 LEU 48 24.692 -44.212 10.166 337 3HD1 LEU 48 3HD1 LEU 48 24.856 -42.451 10.204 338 1HD2 LEU 48 1HD2 LEU 48 22.755 -44.499 7.103 339 2HD2 LEU 48 2HD2 LEU 48 23.370 -45.315 8.532 340 3HD2 LEU 48 3HD2 LEU 48 21.938 -44.273 8.674 341 H PHE 49 H PHE 49 24.570 -39.966 5.817 342 HA PHE 49 HA PHE 49 25.911 -42.015 4.092 343 1HB PHE 49 2HB PHE 49 25.252 -39.124 3.416 344 2HB PHE 49 3HB PHE 49 26.223 -40.214 2.433 345 HD1 PHE 49 HD1 PHE 49 22.786 -39.442 3.586 346 HD2 PHE 49 HD2 PHE 49 25.222 -42.069 1.188 347 HE1 PHE 49 HE1 PHE 49 20.747 -40.374 2.520 348 HE2 PHE 49 HE2 PHE 49 23.189 -42.987 0.122 349 HZ PHE 49 HZ PHE 49 20.944 -42.147 0.785 350 H ASN 50 H ASN 50 28.087 -41.886 3.889 351 HA ASN 50 HA ASN 50 29.540 -40.237 5.935 352 1HB ASN 50 2HB ASN 50 30.330 -42.903 4.683 353 2HB ASN 50 3HB ASN 50 31.068 -42.119 6.074 354 1HD2 ASN 50 2HD2 ASN 50 28.232 -43.927 4.939 355 2HD2 ASN 50 1HD2 ASN 50 27.695 -44.371 6.564 356 H ALA 51 H ALA 51 31.961 -39.964 5.344 357 HA ALA 51 HA ALA 51 32.221 -38.439 2.980 358 1HB ALA 51 1HB ALA 51 34.396 -39.848 4.593 359 2HB ALA 51 2HB ALA 51 34.642 -38.505 3.457 360 3HB ALA 51 3HB ALA 51 33.710 -38.244 4.944 361 H MET 52 H MET 52 32.831 -41.900 3.465 362 HA MET 52 HA MET 52 33.990 -42.446 0.879 363 1HB MET 52 2HB MET 52 32.472 -44.247 2.818 364 2HB MET 52 3HB MET 52 33.345 -44.810 1.390 365 1HG MET 52 2HG MET 52 34.595 -43.371 3.762 366 2HG MET 52 3HG MET 52 34.646 -45.104 3.453 367 1HE MET 52 1HE MET 52 37.209 -43.353 4.096 368 2HE MET 52 2HE MET 52 37.255 -45.105 3.788 369 3HE MET 52 3HE MET 52 38.366 -44.021 2.923 370 H ASP 53 H ASP 53 30.585 -42.310 2.018 371 HA ASP 53 HA ASP 53 29.433 -43.415 -0.403 372 1HB ASP 53 2HB ASP 53 28.267 -41.595 1.751 373 2HB ASP 53 3HB ASP 53 27.363 -42.295 0.436 374 H ILE 54 H ILE 54 29.929 -40.019 0.786 375 HA ILE 54 HA ILE 54 28.916 -38.724 -1.545 376 HB ILE 54 HB ILE 54 30.749 -37.952 0.730 377 1HG1 ILE 54 2HG1 ILE 54 28.958 -36.285 1.133 378 2HG1 ILE 54 3HG1 ILE 54 28.035 -36.917 -0.229 379 1HG2 ILE 54 1HG2 ILE 54 31.693 -36.702 -1.116 380 2HG2 ILE 54 2HG2 ILE 54 30.075 -36.180 -1.658 381 3HG2 ILE 54 3HG2 ILE 54 30.758 -35.605 -0.122 382 1HD1 ILE 54 1HD1 ILE 54 27.150 -37.645 1.940 383 2HD1 ILE 54 2HD1 ILE 54 27.741 -39.048 1.044 384 3HD1 ILE 54 3HD1 ILE 54 28.701 -38.336 2.379 385 H ALA 55 H ALA 55 32.205 -39.913 -0.770 386 HA ALA 55 HA ALA 55 33.501 -38.902 -3.101 387 1HB ALA 55 1HB ALA 55 35.215 -40.597 -2.600 388 2HB ALA 55 2HB ALA 55 34.695 -39.759 -1.125 389 3HB ALA 55 3HB ALA 55 34.110 -41.402 -1.468 390 H GLU 56 H GLU 56 31.652 -41.953 -2.632 391 HA GLU 56 HA GLU 56 32.216 -42.945 -5.323 392 1HB GLU 56 2HB GLU 56 30.172 -43.697 -3.197 393 2HB GLU 56 3HB GLU 56 30.242 -44.482 -4.772 394 1HG GLU 56 2HG GLU 56 32.604 -44.392 -2.846 395 2HG GLU 56 3HG GLU 56 31.424 -45.694 -2.900 396 H ILE 57 H ILE 57 29.477 -41.163 -3.829 397 HA ILE 57 HA ILE 57 27.748 -41.114 -6.101 398 HB ILE 57 HB ILE 57 28.145 -39.256 -3.735 399 1HG1 ILE 57 2HG1 ILE 57 25.804 -41.117 -4.328 400 2HG1 ILE 57 3HG1 ILE 57 27.230 -41.671 -3.474 401 1HG2 ILE 57 1HG2 ILE 57 25.918 -38.240 -4.284 402 2HG2 ILE 57 2HG2 ILE 57 27.139 -37.858 -5.484 403 3HG2 ILE 57 3HG2 ILE 57 25.925 -39.114 -5.829 404 1HD1 ILE 57 1HD1 ILE 57 25.612 -41.099 -1.813 405 2HD1 ILE 57 2HD1 ILE 57 26.866 -39.855 -1.749 406 3HD1 ILE 57 3HD1 ILE 57 25.307 -39.511 -2.533 407 H ARG 58 H ARG 58 30.372 -38.871 -5.169 408 HA ARG 58 HA ARG 58 30.056 -37.077 -7.428 409 1HB ARG 58 2HB ARG 58 32.293 -37.519 -5.407 410 2HB ARG 58 3HB ARG 58 32.360 -36.302 -6.684 411 1HG ARG 58 2HG ARG 58 30.174 -35.359 -5.850 412 2HG ARG 58 3HG ARG 58 30.267 -36.438 -4.464 413 1HD ARG 58 2HD ARG 58 32.274 -34.269 -5.210 414 2HD ARG 58 3HD ARG 58 31.028 -34.164 -3.956 415 HE ARG 58 HE ARG 58 32.759 -36.418 -3.483 416 1HH1 ARG 58 1HH2 ARG 58 32.687 -32.912 -3.140 417 2HH1 ARG 58 2HH2 ARG 58 33.786 -32.951 -1.773 418 1HH2 ARG 58 1HH1 ARG 58 34.265 -36.335 -1.794 419 2HH2 ARG 58 2HH1 ARG 58 34.636 -34.803 -1.060 420 H ASN 59 H ASN 59 31.360 -40.179 -7.291 421 HA ASN 59 HA ASN 59 32.818 -39.825 -9.884 422 1HB ASN 59 2HB ASN 59 33.258 -41.731 -7.555 423 2HB ASN 59 3HB ASN 59 33.900 -42.054 -9.161 424 1HD2 ASN 59 2HD2 ASN 59 34.326 -40.123 -6.294 425 2HD2 ASN 59 1HD2 ASN 59 35.771 -39.292 -6.880 426 H ASN 60 H ASN 60 29.845 -40.459 -9.008 427 HA ASN 60 HA ASN 60 29.381 -42.548 -11.101 428 1HB ASN 60 2HB ASN 60 29.047 -43.462 -8.821 429 2HB ASN 60 3HB ASN 60 27.915 -42.160 -8.454 430 1HD2 ASN 60 2HD2 ASN 60 28.418 -45.047 -10.504 431 2HD2 ASN 60 1HD2 ASN 60 26.706 -45.283 -10.823 432 H ALA 61 H ALA 61 28.150 -39.586 -9.471 433 HA ALA 61 HA ALA 61 25.932 -39.193 -11.283 434 1HB ALA 61 1HB ALA 61 27.442 -37.260 -9.470 435 2HB ALA 61 2HB ALA 61 25.856 -36.971 -10.221 436 3HB ALA 61 3HB ALA 61 26.039 -38.252 -9.006 437 H SER 62 H SER 62 25.711 -37.338 -12.744 438 HA SER 62 HA SER 62 28.084 -36.149 -13.995 439 1HB SER 62 2HB SER 62 27.504 -36.934 -16.261 440 2HB SER 62 3HB SER 62 28.004 -38.249 -15.189 441 HG SER 62 HG SER 62 26.098 -38.786 -16.395 Start of MODEL 10 1 1H MET 1 H1 MET 1 5.986 -39.210 25.672 2 2H MET 1 H2 MET 1 6.871 -37.981 25.063 3 3H MET 1 H3 MET 1 5.762 -37.692 26.239 4 HA MET 1 HA MET 1 3.955 -38.300 24.781 5 1HB MET 1 2HB MET 1 5.794 -36.196 23.548 6 2HB MET 1 3HB MET 1 4.102 -36.453 23.125 7 1HG MET 1 2HG MET 1 3.494 -36.007 25.544 8 2HG MET 1 3HG MET 1 5.175 -35.534 25.805 9 1HE MET 1 1HE MET 1 1.655 -34.461 24.662 10 2HE MET 1 2HE MET 1 1.955 -33.184 23.464 11 3HE MET 1 3HE MET 1 2.330 -34.874 23.071 12 H ASP 2 H ASP 2 3.314 -38.553 22.439 13 HA ASP 2 HA ASP 2 5.220 -40.288 20.908 14 1HB ASP 2 2HB ASP 2 2.293 -40.811 21.567 15 2HB ASP 2 3HB ASP 2 3.257 -41.768 20.444 16 H VAL 3 H VAL 3 4.474 -37.448 20.544 17 HA VAL 3 HA VAL 3 2.658 -37.054 18.389 18 HB VAL 3 HB VAL 3 3.741 -34.875 18.089 19 1HG1 VAL 3 1HG1 VAL 3 2.091 -35.202 19.905 20 2HG1 VAL 3 2HG1 VAL 3 3.418 -35.546 21.036 21 3HG1 VAL 3 3HG1 VAL 3 3.286 -33.949 20.281 22 1HG2 VAL 3 1HG2 VAL 3 6.114 -35.444 18.428 23 2HG2 VAL 3 2HG2 VAL 3 5.610 -34.148 19.515 24 3HG2 VAL 3 3HG2 VAL 3 5.806 -35.796 20.141 25 H GLU 4 H GLU 4 3.061 -36.374 16.213 26 HA GLU 4 HA GLU 4 4.956 -38.073 14.772 27 1HB GLU 4 2HB GLU 4 2.555 -37.615 14.091 28 2HB GLU 4 3HB GLU 4 3.058 -35.988 13.630 29 1HG GLU 4 2HG GLU 4 4.806 -37.105 12.106 30 2HG GLU 4 3HG GLU 4 4.059 -38.647 12.505 31 H PHE 5 H PHE 5 6.731 -36.911 16.049 32 HA PHE 5 HA PHE 5 7.586 -34.286 15.599 33 1HB PHE 5 2HB PHE 5 8.455 -35.900 17.295 34 2HB PHE 5 3HB PHE 5 9.324 -36.747 16.021 35 HD1 PHE 5 HD1 PHE 5 9.145 -33.668 18.067 36 HD2 PHE 5 HD2 PHE 5 11.341 -35.747 14.988 37 HE1 PHE 5 HE1 PHE 5 11.034 -32.073 18.332 38 HE2 PHE 5 HE2 PHE 5 13.220 -34.143 15.248 39 HZ PHE 5 HZ PHE 5 13.068 -32.304 16.917 40 H LYS 6 H LYS 6 8.922 -33.228 14.146 41 HA LYS 6 HA LYS 6 10.067 -34.586 11.815 42 1HB LYS 6 2HB LYS 6 7.425 -33.737 11.667 43 2HB LYS 6 3HB LYS 6 8.259 -32.322 11.054 44 1HG LYS 6 2HG LYS 6 9.294 -33.606 9.279 45 2HG LYS 6 3HG LYS 6 8.812 -35.142 10.009 46 1HD LYS 6 2HD LYS 6 6.831 -33.082 8.952 47 2HD LYS 6 3HD LYS 6 7.443 -34.459 8.020 48 1HE LYS 6 2HE LYS 6 6.565 -36.027 9.743 49 2HE LYS 6 3HE LYS 6 5.914 -34.665 10.657 50 1HZ LYS 6 1HZ LYS 6 4.206 -35.650 9.307 51 2HZ LYS 6 2HZ LYS 6 4.499 -34.147 8.734 52 3HZ LYS 6 3HZ LYS 6 5.069 -35.454 7.925 53 H CYS 7 H CYS 7 10.929 -32.844 10.277 54 HA CYS 7 HA CYS 7 13.096 -31.548 11.433 55 1HB CYS 7 2HB CYS 7 12.822 -32.225 9.044 56 2HB CYS 7 3HB CYS 7 11.694 -30.880 8.813 57 H THR 8 H THR 8 13.645 -29.513 11.991 58 HA THR 8 HA THR 8 11.577 -27.547 12.739 59 HB THR 8 HB THR 8 13.583 -26.409 13.819 60 HG1 THR 8 1HG THR 8 15.377 -27.840 14.120 61 1HG2 THR 8 1HG2 THR 8 12.041 -27.879 15.085 62 2HG2 THR 8 2HG2 THR 8 13.049 -29.284 14.677 63 3HG2 THR 8 3HG2 THR 8 13.703 -27.973 15.685 64 H CYS 9 H CYS 9 11.918 -27.999 10.010 65 HA CYS 9 HA CYS 9 13.507 -26.600 8.398 66 1HB CYS 9 2HB CYS 9 10.797 -27.663 8.283 67 2HB CYS 9 3HB CYS 9 10.915 -26.198 7.300 68 H SER 10 H SER 10 14.095 -24.698 7.879 69 HA SER 10 HA SER 10 12.453 -22.299 8.012 70 1HB SER 10 2HB SER 10 13.254 -22.324 10.331 71 2HB SER 10 3HB SER 10 14.922 -22.587 9.790 72 HG SER 10 HG SER 10 14.303 -20.351 10.307 73 H ARG 11 H ARG 11 13.343 -20.642 6.786 74 HA ARG 11 HA ARG 11 15.069 -21.279 4.603 75 1HB ARG 11 2HB ARG 11 13.327 -19.363 4.966 76 2HB ARG 11 3HB ARG 11 14.646 -18.471 5.719 77 1HG ARG 11 2HG ARG 11 15.989 -18.679 3.653 78 2HG ARG 11 3HG ARG 11 14.717 -19.668 2.913 79 1HD ARG 11 2HD ARG 11 13.150 -17.675 3.249 80 2HD ARG 11 3HD ARG 11 14.579 -16.735 3.701 81 HE ARG 11 HE ARG 11 14.395 -18.170 1.066 82 1HH1 ARG 11 1HH1 ARG 11 14.932 -15.074 2.671 83 2HH1 ARG 11 2HH1 ARG 11 15.321 -14.300 1.142 84 1HH2 ARG 11 1HH2 ARG 11 14.762 -17.097 -0.755 85 2HH2 ARG 11 2HH2 ARG 11 15.134 -15.378 -0.737 86 H GLU 12 H GLU 12 15.737 -19.996 7.825 87 HA GLU 12 HA GLU 12 18.377 -19.051 7.493 88 1HB GLU 12 2HB GLU 12 16.830 -20.250 9.833 89 2HB GLU 12 3HB GLU 12 18.370 -19.439 9.955 90 1HG GLU 12 2HG GLU 12 17.391 -17.358 9.017 91 2HG GLU 12 3HG GLU 12 15.812 -18.143 8.954 92 H ARG 13 H ARG 13 17.161 -22.362 8.119 93 HA ARG 13 HA ARG 13 19.789 -23.516 8.705 94 1HB ARG 13 2HB ARG 13 17.013 -24.631 8.086 95 2HB ARG 13 3HB ARG 13 18.416 -25.680 8.211 96 1HG ARG 13 2HG ARG 13 18.909 -24.806 10.469 97 2HG ARG 13 3HG ARG 13 17.507 -23.732 10.384 98 1HD ARG 13 2HD ARG 13 15.970 -25.591 10.429 99 2HD ARG 13 3HD ARG 13 17.266 -26.753 10.157 100 HE ARG 13 HE ARG 13 18.025 -26.539 12.358 101 1HH1 ARG 13 1HH2 ARG 13 15.054 -24.729 12.064 102 2HH1 ARG 13 2HH2 ARG 13 15.203 -24.045 13.657 103 1HH2 ARG 13 1HH1 ARG 13 18.011 -25.844 14.458 104 2HH2 ARG 13 2HH1 ARG 13 16.749 -24.788 15.018 105 H CYS 14 H CYS 14 17.705 -23.515 5.813 106 HA CYS 14 HA CYS 14 19.503 -24.751 4.007 107 1HB CYS 14 2HB CYS 14 17.278 -22.688 3.625 108 2HB CYS 14 3HB CYS 14 18.003 -23.673 2.345 109 HG CYS 14 HG CYS 14 17.449 -25.981 3.359 110 H ALA 15 H ALA 15 19.154 -21.284 4.916 111 HA ALA 15 HA ALA 15 20.915 -20.210 2.954 112 1HB ALA 15 1HB ALA 15 20.276 -19.207 5.763 113 2HB ALA 15 2HB ALA 15 21.018 -18.257 4.462 114 3HB ALA 15 3HB ALA 15 19.355 -18.847 4.287 115 H ASP 16 H ASP 16 21.605 -21.486 6.251 116 HA ASP 16 HA ASP 16 24.411 -20.875 6.268 117 1HB ASP 16 2HB ASP 16 23.033 -21.469 8.259 118 2HB ASP 16 3HB ASP 16 22.903 -23.124 7.666 119 H ALA 17 H ALA 17 22.588 -23.720 5.089 120 HA ALA 17 HA ALA 17 24.852 -25.313 4.344 121 1HB ALA 17 1HB ALA 17 22.018 -25.356 3.219 122 2HB ALA 17 2HB ALA 17 23.227 -26.646 3.110 123 3HB ALA 17 3HB ALA 17 22.558 -26.197 4.691 124 H LEU 18 H LEU 18 23.122 -22.696 2.614 125 HA LEU 18 HA LEU 18 24.438 -23.088 0.063 126 1HB LEU 18 2HB LEU 18 22.339 -22.062 0.002 127 2HB LEU 18 3HB LEU 18 22.623 -21.112 1.436 128 HG LEU 18 HG LEU 18 24.111 -19.637 0.248 129 1HD1 LEU 18 1HD1 LEU 18 24.876 -21.080 -1.644 130 2HD1 LEU 18 2HD1 LEU 18 23.221 -21.109 -2.285 131 3HD1 LEU 18 3HD1 LEU 18 24.140 -19.592 -2.243 132 1HD2 LEU 18 1HD2 LEU 18 22.369 -18.438 -0.967 133 2HD2 LEU 18 2HD2 LEU 18 21.405 -19.924 -1.131 134 3HD2 LEU 18 3HD2 LEU 18 21.660 -19.195 0.464 135 H LYS 19 H LYS 19 24.999 -20.980 2.954 136 HA LYS 19 HA LYS 19 27.036 -19.388 2.004 137 1HB LYS 19 2HB LYS 19 25.679 -19.812 4.375 138 2HB LYS 19 3HB LYS 19 27.272 -20.366 4.827 139 1HG LYS 19 2HG LYS 19 26.514 -17.632 3.718 140 2HG LYS 19 3HG LYS 19 26.803 -18.074 5.385 141 1HD LYS 19 2HD LYS 19 28.884 -17.181 4.932 142 2HD LYS 19 3HD LYS 19 29.194 -18.835 4.411 143 1HE LYS 19 2HE LYS 19 28.192 -17.795 2.086 144 2HE LYS 19 3HE LYS 19 28.772 -16.300 2.807 145 1HZ LYS 19 1HZ LYS 19 30.992 -17.373 2.960 146 2HZ LYS 19 2HZ LYS 19 30.372 -18.734 2.260 147 3HZ LYS 19 3HZ LYS 19 30.457 -17.344 1.406 148 H THR 20 H THR 20 27.429 -22.762 3.119 149 HA THR 20 HA THR 20 30.312 -22.576 3.331 150 HB THR 20 HB THR 20 30.278 -25.032 3.525 151 HG1 THR 20 1HG THR 20 28.275 -26.061 3.552 152 1HG2 THR 20 1HG2 THR 20 29.882 -23.587 5.510 153 2HG2 THR 20 2HG2 THR 20 28.135 -23.663 5.213 154 3HG2 THR 20 3HG2 THR 20 29.034 -25.139 5.625 155 H LEU 21 H LEU 21 28.363 -22.785 0.505 156 HA LEU 21 HA LEU 21 30.194 -24.301 -1.146 157 1HB LEU 21 2HB LEU 21 28.026 -22.260 -1.809 158 2HB LEU 21 3HB LEU 21 28.847 -23.255 -2.991 159 HG LEU 21 HG LEU 21 27.018 -24.284 -0.780 160 1HD1 LEU 21 1HD1 LEU 21 25.568 -24.887 -2.702 161 2HD1 LEU 21 2HD1 LEU 21 25.843 -23.137 -2.603 162 3HD1 LEU 21 3HD1 LEU 21 26.713 -24.109 -3.810 163 1HD2 LEU 21 1HD2 LEU 21 28.478 -25.791 -2.997 164 2HD2 LEU 21 2HD2 LEU 21 28.732 -25.977 -1.244 165 3HD2 LEU 21 3HD2 LEU 21 27.199 -26.469 -1.964 166 HA PRO 22 HA PRO 22 33.293 -21.253 -2.110 167 1HB PRO 22 2HB PRO 22 32.937 -21.796 -5.034 168 2HB PRO 22 3HB PRO 22 34.412 -21.895 -4.038 169 1HG PRO 22 2HG PRO 22 33.093 -24.139 -4.871 170 2HG PRO 22 3HG PRO 22 33.862 -24.042 -3.255 171 1HD PRO 22 2HD PRO 22 30.949 -23.718 -3.973 172 2HD PRO 22 3HD PRO 22 31.698 -24.587 -2.598 173 H ASP 23 H ASP 23 32.989 -19.069 -2.083 174 HA ASP 23 HA ASP 23 30.561 -17.807 -2.824 175 1HB ASP 23 2HB ASP 23 33.319 -16.623 -2.332 176 2HB ASP 23 3HB ASP 23 31.827 -15.695 -2.435 177 H GLU 24 H GLU 24 33.540 -18.209 -4.700 178 HA GLU 24 HA GLU 24 32.763 -16.462 -6.897 179 1HB GLU 24 2HB GLU 24 34.526 -17.612 -8.165 180 2HB GLU 24 3HB GLU 24 35.078 -16.885 -6.671 181 1HG GLU 24 2HG GLU 24 34.421 -19.850 -6.735 182 2HG GLU 24 3HG GLU 24 35.916 -19.257 -7.432 183 H GLU 25 H GLU 25 32.222 -19.920 -6.224 184 HA GLU 25 HA GLU 25 31.086 -20.534 -8.826 185 1HB GLU 25 2HB GLU 25 32.113 -22.209 -7.301 186 2HB GLU 25 3HB GLU 25 30.777 -21.985 -6.162 187 1HG GLU 25 2HG GLU 25 29.175 -22.807 -7.833 188 2HG GLU 25 3HG GLU 25 30.457 -22.916 -9.044 189 H VAL 26 H VAL 26 29.730 -19.609 -5.657 190 HA VAL 26 HA VAL 26 26.942 -19.775 -6.328 191 HB VAL 26 HB VAL 26 28.507 -18.147 -4.292 192 1HG1 VAL 26 1HG1 VAL 26 26.460 -16.875 -4.671 193 2HG1 VAL 26 2HG1 VAL 26 25.479 -18.354 -4.533 194 3HG1 VAL 26 3HG1 VAL 26 26.362 -17.722 -3.126 195 1HG2 VAL 26 1HG2 VAL 26 27.577 -19.755 -2.696 196 2HG2 VAL 26 2HG2 VAL 26 26.630 -20.536 -3.981 197 3HG2 VAL 26 3HG2 VAL 26 28.399 -20.636 -3.987 198 H ASP 27 H ASP 27 29.291 -17.091 -6.713 199 HA ASP 27 HA ASP 27 27.385 -15.194 -7.726 200 1HB ASP 27 2HB ASP 27 29.599 -14.609 -6.816 201 2HB ASP 27 3HB ASP 27 30.383 -15.384 -8.191 202 H SER 28 H SER 28 29.263 -17.770 -9.387 203 HA SER 28 HA SER 28 28.740 -16.914 -12.064 204 1HB SER 28 2HB SER 28 29.159 -19.733 -10.999 205 2HB SER 28 3HB SER 28 29.125 -19.275 -12.708 206 HG SER 28 HG SER 28 31.265 -19.346 -11.883 207 H ILE 29 H ILE 29 26.688 -18.819 -9.796 208 HA ILE 29 HA ILE 29 24.769 -19.575 -11.773 209 HB ILE 29 HB ILE 29 24.076 -19.098 -8.863 210 1HG1 ILE 29 2HG1 ILE 29 26.096 -20.397 -8.720 211 2HG1 ILE 29 3HG1 ILE 29 24.723 -21.391 -8.334 212 1HG2 ILE 29 1HG2 ILE 29 22.559 -21.073 -9.342 213 2HG2 ILE 29 2HG2 ILE 29 22.186 -19.629 -10.282 214 3HG2 ILE 29 3HG2 ILE 29 23.049 -20.979 -11.039 215 1HD1 ILE 29 1HD1 ILE 29 24.837 -22.471 -10.573 216 2HD1 ILE 29 2HD1 ILE 29 26.228 -21.442 -10.992 217 3HD1 ILE 29 3HD1 ILE 29 26.360 -22.626 -9.682 218 H LEU 30 H LEU 30 25.134 -16.621 -9.808 219 HA LEU 30 HA LEU 30 22.589 -15.477 -10.510 220 1HB LEU 30 2HB LEU 30 25.152 -14.018 -9.771 221 2HB LEU 30 3HB LEU 30 23.525 -13.352 -9.782 222 HG LEU 30 HG LEU 30 24.617 -15.476 -7.894 223 1HD1 LEU 30 1HD1 LEU 30 24.119 -13.784 -6.189 224 2HD1 LEU 30 2HD1 LEU 30 25.216 -13.126 -7.413 225 3HD1 LEU 30 3HD1 LEU 30 23.493 -12.683 -7.433 226 1HD2 LEU 30 1HD2 LEU 30 22.335 -16.147 -8.305 227 2HD2 LEU 30 2HD2 LEU 30 22.367 -15.274 -6.773 228 3HD2 LEU 30 3HD2 LEU 30 21.765 -14.462 -8.231 229 H ALA 31 H ALA 31 25.646 -15.627 -12.222 230 HA ALA 31 HA ALA 31 24.879 -13.709 -14.296 231 1HB ALA 31 1HB ALA 31 27.214 -15.658 -14.112 232 2HB ALA 31 2HB ALA 31 27.060 -14.299 -15.241 233 3HB ALA 31 3HB ALA 31 27.218 -13.986 -13.502 234 H GLU 32 H GLU 32 23.954 -16.918 -13.737 235 HA GLU 32 HA GLU 32 23.447 -17.428 -16.658 236 1HB GLU 32 2HB GLU 32 24.169 -19.395 -14.456 237 2HB GLU 32 3HB GLU 32 23.577 -19.853 -16.056 238 1HG GLU 32 2HG GLU 32 25.502 -18.624 -17.094 239 2HG GLU 32 3HG GLU 32 26.155 -18.335 -15.483 240 H ASP 33 H ASP 33 21.997 -17.521 -13.427 241 HA ASP 33 HA ASP 33 19.336 -17.934 -14.712 242 1HB ASP 33 2HB ASP 33 20.382 -20.101 -13.739 243 2HB ASP 33 3HB ASP 33 20.115 -19.377 -12.161 244 H GLY 34 H GLY 34 21.189 -16.548 -12.046 245 1HA GLY 34 2HA GLY 34 20.660 -14.584 -10.877 246 2HA GLY 34 3HA GLY 34 19.040 -14.614 -11.545 247 H GLU 35 H GLU 35 19.540 -17.649 -10.174 248 HA GLU 35 HA GLU 35 19.033 -17.029 -7.374 249 1HB GLU 35 2HB GLU 35 16.780 -18.060 -7.300 250 2HB GLU 35 3HB GLU 35 16.791 -16.564 -8.209 251 1HG GLU 35 2HG GLU 35 16.802 -17.861 -10.337 252 2HG GLU 35 3HG GLU 35 16.825 -19.367 -9.409 253 H ILE 36 H ILE 36 18.636 -19.018 -6.083 254 HA ILE 36 HA ILE 36 19.671 -21.533 -7.332 255 HB ILE 36 HB ILE 36 20.506 -20.302 -4.679 256 1HG1 ILE 36 2HG1 ILE 36 22.196 -20.985 -7.130 257 2HG1 ILE 36 3HG1 ILE 36 21.604 -19.363 -6.777 258 1HG2 ILE 36 1HG2 ILE 36 21.983 -22.287 -4.421 259 2HG2 ILE 36 2HG2 ILE 36 20.299 -22.762 -4.453 260 3HG2 ILE 36 3HG2 ILE 36 21.301 -22.989 -5.902 261 1HD1 ILE 36 1HD1 ILE 36 23.614 -20.929 -5.151 262 2HD1 ILE 36 2HD1 ILE 36 23.830 -19.414 -6.046 263 3HD1 ILE 36 3HD1 ILE 36 22.812 -19.438 -4.588 264 H ASP 37 H ASP 37 18.617 -23.304 -6.842 265 HA ASP 37 HA ASP 37 16.288 -23.290 -4.980 266 1HB ASP 37 2HB ASP 37 15.784 -23.995 -7.233 267 2HB ASP 37 3HB ASP 37 17.161 -25.097 -7.264 268 H MET 38 H MET 38 17.092 -23.619 -2.970 269 HA MET 38 HA MET 38 19.267 -25.554 -2.474 270 1HB MET 38 2HB MET 38 18.069 -23.211 -1.058 271 2HB MET 38 3HB MET 38 18.633 -24.517 -0.017 272 1HG MET 38 2HG MET 38 20.325 -23.304 -2.218 273 2HG MET 38 3HG MET 38 20.334 -22.735 -0.548 274 1HE MET 38 1HE MET 38 22.384 -24.635 -2.916 275 2HE MET 38 2HE MET 38 23.028 -23.444 -1.765 276 3HE MET 38 3HE MET 38 23.571 -25.134 -1.691 277 H HIS 39 H HIS 39 19.205 -27.114 -0.916 278 HA HIS 39 HA HIS 39 16.539 -28.321 -0.301 279 1HB HIS 39 2HB HIS 39 19.158 -29.715 -0.981 280 2HB HIS 39 3HB HIS 39 17.654 -30.503 -0.517 281 HD1 HIS 39 HD1 HIS 39 19.162 -28.558 -3.499 282 HD2 HIS 39 HD2 HIS 39 15.820 -30.874 -2.410 283 HE1 HIS 39 HE1 HIS 39 17.909 -29.055 -5.658 284 H CYS 40 H CYS 40 16.166 -28.493 1.788 285 HA CYS 40 HA CYS 40 17.712 -27.595 3.902 286 1HB CYS 40 2HB CYS 40 15.275 -27.942 3.872 287 2HB CYS 40 3HB CYS 40 15.515 -29.691 3.803 288 H ASP 41 H ASP 41 19.563 -28.274 4.779 289 HA ASP 41 HA ASP 41 20.810 -30.786 4.218 290 1HB ASP 41 2HB ASP 41 21.963 -28.661 4.830 291 2HB ASP 41 3HB ASP 41 21.337 -28.807 6.473 292 H TYR 42 H TYR 42 18.328 -30.015 6.444 293 HA TYR 42 HA TYR 42 18.896 -32.165 8.364 294 1HB TYR 42 2HB TYR 42 16.756 -30.021 8.199 295 2HB TYR 42 3HB TYR 42 16.916 -31.176 9.475 296 HD1 TYR 42 HD1 TYR 42 18.456 -28.124 7.872 297 HD2 TYR 42 HD2 TYR 42 18.687 -30.976 11.140 298 HE1 TYR 42 HE1 TYR 42 20.217 -26.763 8.981 299 HE2 TYR 42 HE2 TYR 42 20.358 -29.526 12.277 300 HH TYR 42 HH TYR 42 21.607 -27.605 12.160 301 H CYS 43 H CYS 43 16.408 -31.428 5.881 302 HA CYS 43 HA CYS 43 15.617 -34.304 5.923 303 1HB CYS 43 2HB CYS 43 13.294 -33.801 6.036 304 2HB CYS 43 3HB CYS 43 14.090 -32.975 7.384 305 H GLY 44 H GLY 44 16.368 -31.688 3.842 306 1HA GLY 44 2HA GLY 44 16.726 -31.968 1.542 307 2HA GLY 44 3HA GLY 44 15.548 -33.272 1.475 308 H ASN 45 H ASN 45 13.902 -30.940 3.114 309 HA ASN 45 HA ASN 45 12.072 -30.269 1.111 310 1HB ASN 45 2HB ASN 45 11.736 -30.153 3.570 311 2HB ASN 45 3HB ASN 45 12.826 -28.768 3.648 312 1HD2 ASN 45 2HD2 ASN 45 11.144 -27.533 4.620 313 2HD2 ASN 45 1HD2 ASN 45 9.815 -26.914 3.639 314 H HIS 46 H HIS 46 11.653 -28.419 -0.178 315 HA HIS 46 HA HIS 46 14.026 -27.080 -1.213 316 1HB HIS 46 2HB HIS 46 11.083 -27.137 -1.959 317 2HB HIS 46 3HB HIS 46 12.230 -26.072 -2.749 318 HD1 HIS 46 HD1 HIS 46 13.947 -27.134 -4.481 319 HD2 HIS 46 HD2 HIS 46 11.361 -29.821 -2.502 320 HE1 HIS 46 HE1 HIS 46 14.143 -29.357 -5.706 321 H TYR 47 H TYR 47 14.531 -24.973 -1.236 322 HA TYR 47 HA TYR 47 12.775 -22.837 -0.261 323 1HB TYR 47 2HB TYR 47 15.358 -23.647 1.127 324 2HB TYR 47 3HB TYR 47 14.840 -21.973 1.088 325 HD1 TYR 47 HD1 TYR 47 12.814 -21.191 2.242 326 HD2 TYR 47 HD2 TYR 47 14.133 -25.287 2.534 327 HE1 TYR 47 HE1 TYR 47 11.377 -21.511 4.247 328 HE2 TYR 47 HE2 TYR 47 12.730 -25.592 4.569 329 HH TYR 47 HH TYR 47 10.648 -22.971 5.854 330 H LEU 48 H LEU 48 13.109 -21.086 -1.555 331 HA LEU 48 HA LEU 48 15.356 -21.230 -3.476 332 1HB LEU 48 2HB LEU 48 14.098 -20.094 -5.034 333 2HB LEU 48 3HB LEU 48 13.016 -21.286 -4.342 334 HG LEU 48 HG LEU 48 13.018 -18.282 -3.761 335 1HD1 LEU 48 1HD1 LEU 48 12.239 -18.891 -6.016 336 2HD1 LEU 48 2HD1 LEU 48 11.073 -20.034 -5.315 337 3HD1 LEU 48 3HD1 LEU 48 10.909 -18.289 -5.016 338 1HD2 LEU 48 1HD2 LEU 48 10.804 -18.711 -2.675 339 2HD2 LEU 48 2HD2 LEU 48 11.112 -20.457 -2.783 340 3HD2 LEU 48 3HD2 LEU 48 12.148 -19.406 -1.777 341 H PHE 49 H PHE 49 16.725 -19.547 -3.909 342 HA PHE 49 HA PHE 49 16.627 -17.120 -2.153 343 1HB PHE 49 2HB PHE 49 19.025 -18.895 -2.748 344 2HB PHE 49 3HB PHE 49 19.094 -17.315 -1.975 345 HD1 PHE 49 HD1 PHE 49 18.360 -16.946 0.305 346 HD2 PHE 49 HD2 PHE 49 18.057 -20.841 -1.514 347 HE1 PHE 49 HE1 PHE 49 17.973 -17.951 2.534 348 HE2 PHE 49 HE2 PHE 49 17.643 -21.844 0.729 349 HZ PHE 49 HZ PHE 49 17.615 -20.405 2.745 350 H ASN 50 H ASN 50 16.758 -15.285 -3.243 351 HA ASN 50 HA ASN 50 17.268 -15.334 -6.173 352 1HB ASN 50 2HB ASN 50 16.322 -13.065 -4.364 353 2HB ASN 50 3HB ASN 50 16.253 -13.109 -6.118 354 1HD2 ASN 50 2HD2 ASN 50 14.754 -14.239 -3.156 355 2HD2 ASN 50 1HD2 ASN 50 13.315 -14.899 -3.951 356 H ALA 51 H ALA 51 18.459 -13.286 -7.040 357 HA ALA 51 HA ALA 51 21.156 -13.261 -6.204 358 1HB ALA 51 1HB ALA 51 21.337 -11.259 -7.653 359 2HB ALA 51 2HB ALA 51 20.361 -12.520 -8.429 360 3HB ALA 51 3HB ALA 51 19.567 -11.114 -7.689 361 H MET 52 H MET 52 18.491 -11.112 -5.232 362 HA MET 52 HA MET 52 19.998 -9.265 -3.652 363 1HB MET 52 2HB MET 52 17.071 -10.082 -3.338 364 2HB MET 52 3HB MET 52 17.844 -8.620 -2.726 365 1HG MET 52 2HG MET 52 16.725 -7.882 -4.619 366 2HG MET 52 3HG MET 52 18.389 -8.048 -5.169 367 1HE MET 52 1HE MET 52 16.430 -8.862 -8.431 368 2HE MET 52 2HE MET 52 16.074 -7.625 -7.205 369 3HE MET 52 3HE MET 52 17.757 -7.941 -7.689 370 H ASP 53 H ASP 53 18.467 -12.389 -2.843 371 HA ASP 53 HA ASP 53 18.905 -12.236 0.038 372 1HB ASP 53 2HB ASP 53 18.440 -14.599 -1.849 373 2HB ASP 53 3HB ASP 53 18.442 -14.696 -0.115 374 H ILE 54 H ILE 54 20.486 -13.890 -2.697 375 HA ILE 54 HA ILE 54 22.556 -15.205 -1.276 376 HB ILE 54 HB ILE 54 22.166 -14.397 -4.178 377 1HG1 ILE 54 2HG1 ILE 54 22.165 -17.138 -2.836 378 2HG1 ILE 54 3HG1 ILE 54 20.711 -16.163 -2.962 379 1HG2 ILE 54 1HG2 ILE 54 24.593 -14.543 -3.849 380 2HG2 ILE 54 2HG2 ILE 54 24.408 -16.089 -2.993 381 3HG2 ILE 54 3HG2 ILE 54 24.038 -15.961 -4.728 382 1HD1 ILE 54 1HD1 ILE 54 20.786 -16.232 -5.396 383 2HD1 ILE 54 2HD1 ILE 54 22.279 -17.203 -5.339 384 3HD1 ILE 54 3HD1 ILE 54 20.767 -17.855 -4.691 385 H ALA 55 H ALA 55 22.461 -11.930 -2.729 386 HA ALA 55 HA ALA 55 25.193 -11.283 -2.459 387 1HB ALA 55 1HB ALA 55 22.733 -9.504 -2.169 388 2HB ALA 55 2HB ALA 55 24.394 -8.935 -2.449 389 3HB ALA 55 3HB ALA 55 23.575 -9.909 -3.683 390 H GLU 56 H GLU 56 22.623 -11.113 0.053 391 HA GLU 56 HA GLU 56 24.433 -9.974 2.060 392 1HB GLU 56 2HB GLU 56 21.683 -11.253 2.369 393 2HB GLU 56 3HB GLU 56 22.593 -10.409 3.632 394 1HG GLU 56 2HG GLU 56 22.638 -8.365 2.131 395 2HG GLU 56 3HG GLU 56 21.514 -9.196 1.057 396 H ILE 57 H ILE 57 23.081 -13.242 1.435 397 HA ILE 57 HA ILE 57 24.335 -14.583 3.607 398 HB ILE 57 HB ILE 57 23.395 -15.525 0.880 399 1HG1 ILE 57 2HG1 ILE 57 22.138 -15.887 3.645 400 2HG1 ILE 57 3HG1 ILE 57 21.730 -14.555 2.576 401 1HG2 ILE 57 1HG2 ILE 57 25.040 -17.186 1.697 402 2HG2 ILE 57 2HG2 ILE 57 24.210 -17.247 3.272 403 3HG2 ILE 57 3HG2 ILE 57 23.418 -17.845 1.807 404 1HD1 ILE 57 1HD1 ILE 57 20.040 -16.203 2.315 405 2HD1 ILE 57 2HD1 ILE 57 21.005 -16.202 0.825 406 3HD1 ILE 57 3HD1 ILE 57 21.213 -17.494 2.036 407 H ARG 58 H ARG 58 25.573 -13.880 0.361 408 HA ARG 58 HA ARG 58 28.059 -15.317 0.489 409 1HB ARG 58 2HB ARG 58 26.863 -14.423 -1.531 410 2HB ARG 58 3HB ARG 58 27.387 -12.793 -1.086 411 1HG ARG 58 2HG ARG 58 29.756 -13.508 -1.375 412 2HG ARG 58 3HG ARG 58 29.204 -15.165 -1.711 413 1HD ARG 58 2HD ARG 58 27.884 -14.285 -3.654 414 2HD ARG 58 3HD ARG 58 28.574 -12.687 -3.377 415 HE ARG 58 HE ARG 58 29.929 -15.115 -4.429 416 1HH1 ARG 58 1HH1 ARG 58 30.460 -11.784 -3.423 417 2HH1 ARG 58 2HH1 ARG 58 31.998 -11.715 -4.238 418 1HH2 ARG 58 1HH2 ARG 58 31.797 -14.952 -5.409 419 2HH2 ARG 58 2HH2 ARG 58 32.754 -13.483 -5.357 420 H ASN 59 H ASN 59 27.069 -12.315 1.886 421 HA ASN 59 HA ASN 59 29.831 -11.641 2.810 422 1HB ASN 59 2HB ASN 59 27.285 -9.994 2.474 423 2HB ASN 59 3HB ASN 59 28.687 -9.418 3.369 424 1HD2 ASN 59 2HD2 ASN 59 27.395 -9.914 0.165 425 2HD2 ASN 59 1HD2 ASN 59 28.817 -9.278 -0.662 426 H ASN 60 H ASN 60 27.864 -13.767 3.818 427 HA ASN 60 HA ASN 60 27.053 -14.665 5.676 428 1HB ASN 60 2HB ASN 60 29.481 -14.815 5.982 429 2HB ASN 60 3HB ASN 60 29.484 -13.282 6.848 430 1HD2 ASN 60 2HD2 ASN 60 27.640 -16.424 7.035 431 2HD2 ASN 60 1HD2 ASN 60 27.854 -16.558 8.770 432 H ALA 61 H ALA 61 25.511 -12.571 5.029 433 HA ALA 61 HA ALA 61 24.574 -11.552 7.682 434 1HB ALA 61 1HB ALA 61 25.749 -9.768 6.446 435 2HB ALA 61 2HB ALA 61 24.695 -10.033 5.042 436 3HB ALA 61 3HB ALA 61 24.012 -9.428 6.566 437 H SER 62 H SER 62 22.339 -11.015 7.781 438 HA SER 62 HA SER 62 20.357 -11.850 5.817 439 1HB SER 62 2HB SER 62 20.816 -13.504 8.338 440 2HB SER 62 3HB SER 62 19.275 -13.484 7.460 441 HG SER 62 HG SER 62 21.613 -13.866 5.967 Start of MODEL 11 1 1H MET 1 H1 MET 1 -9.804 -12.987 8.632 2 2H MET 1 H2 MET 1 -8.274 -12.647 9.101 3 3H MET 1 H3 MET 1 -9.280 -11.436 8.644 4 HA MET 1 HA MET 1 -9.366 -12.276 6.393 5 1HB MET 1 2HB MET 1 -7.659 -10.566 7.032 6 2HB MET 1 3HB MET 1 -6.498 -11.862 7.352 7 1HG MET 1 2HG MET 1 -6.643 -12.573 4.987 8 2HG MET 1 3HG MET 1 -7.856 -11.325 4.677 9 1HE MET 1 1HE MET 1 -4.716 -10.125 2.655 10 2HE MET 1 2HE MET 1 -5.239 -11.800 2.935 11 3HE MET 1 3HE MET 1 -6.443 -10.539 2.581 12 H ASP 2 H ASP 2 -9.204 -14.001 5.041 13 HA ASP 2 HA ASP 2 -8.593 -16.612 6.067 14 1HB ASP 2 2HB ASP 2 -9.018 -15.611 3.222 15 2HB ASP 2 3HB ASP 2 -8.954 -17.306 3.697 16 H VAL 3 H VAL 3 -7.046 -18.143 5.283 17 HA VAL 3 HA VAL 3 -4.639 -17.276 3.857 18 HB VAL 3 HB VAL 3 -4.251 -16.565 6.218 19 1HG1 VAL 3 1HG1 VAL 3 -4.240 -19.529 6.913 20 2HG1 VAL 3 2HG1 VAL 3 -3.821 -18.176 7.980 21 3HG1 VAL 3 3HG1 VAL 3 -5.484 -18.359 7.408 22 1HG2 VAL 3 1HG2 VAL 3 -2.367 -17.152 4.717 23 2HG2 VAL 3 2HG2 VAL 3 -2.023 -17.401 6.436 24 3HG2 VAL 3 3HG2 VAL 3 -2.365 -18.796 5.401 25 H GLU 4 H GLU 4 -3.318 -19.055 3.177 26 HA GLU 4 HA GLU 4 -4.692 -21.372 2.391 27 1HB GLU 4 2HB GLU 4 -1.679 -20.980 2.676 28 2HB GLU 4 3HB GLU 4 -2.493 -22.224 1.744 29 1HG GLU 4 2HG GLU 4 -2.124 -20.820 0.028 30 2HG GLU 4 3HG GLU 4 -3.644 -20.110 0.547 31 H PHE 5 H PHE 5 -4.595 -23.564 2.972 32 HA PHE 5 HA PHE 5 -3.295 -24.360 5.511 33 1HB PHE 5 2HB PHE 5 -5.592 -23.367 6.012 34 2HB PHE 5 3HB PHE 5 -6.293 -24.691 5.094 35 HD1 PHE 5 HD1 PHE 5 -6.832 -26.711 6.255 36 HD2 PHE 5 HD2 PHE 5 -3.965 -23.978 7.968 37 HE1 PHE 5 HE1 PHE 5 -6.714 -28.113 8.302 38 HE2 PHE 5 HE2 PHE 5 -3.849 -25.386 10.013 39 HZ PHE 5 HZ PHE 5 -5.220 -27.456 10.180 40 H LYS 6 H LYS 6 -3.909 -26.768 5.983 41 HA LYS 6 HA LYS 6 -2.911 -28.464 3.936 42 1HB LYS 6 2HB LYS 6 -4.548 -29.196 6.401 43 2HB LYS 6 3HB LYS 6 -3.519 -30.277 5.476 44 1HG LYS 6 2HG LYS 6 -2.593 -27.947 7.219 45 2HG LYS 6 3HG LYS 6 -2.516 -29.658 7.589 46 1HD LYS 6 2HD LYS 6 -0.353 -29.259 6.979 47 2HD LYS 6 3HD LYS 6 -1.014 -29.870 5.460 48 1HE LYS 6 2HE LYS 6 -1.251 -27.522 4.642 49 2HE LYS 6 3HE LYS 6 -0.685 -26.920 6.203 50 1HZ LYS 6 1HZ LYS 6 1.448 -28.013 5.784 51 2HZ LYS 6 2HZ LYS 6 0.932 -28.587 4.345 52 3HZ LYS 6 3HZ LYS 6 1.113 -26.980 4.569 53 H CYS 7 H CYS 7 -3.809 -29.548 2.451 54 HA CYS 7 HA CYS 7 -6.352 -28.939 1.427 55 1HB CYS 7 2HB CYS 7 -4.228 -29.773 0.254 56 2HB CYS 7 3HB CYS 7 -4.803 -31.409 0.607 57 H THR 8 H THR 8 -8.126 -30.091 0.985 58 HA THR 8 HA THR 8 -8.844 -32.565 2.453 59 HB THR 8 HB THR 8 -9.406 -30.567 3.861 60 HG1 THR 8 1HG THR 8 -11.434 -31.319 4.385 61 1HG2 THR 8 1HG2 THR 8 -11.550 -29.991 1.773 62 2HG2 THR 8 2HG2 THR 8 -11.327 -29.180 3.337 63 3HG2 THR 8 3HG2 THR 8 -10.110 -28.993 2.068 64 H CYS 9 H CYS 9 -8.471 -31.218 -0.367 65 HA CYS 9 HA CYS 9 -10.983 -31.791 -1.757 66 1HB CYS 9 2HB CYS 9 -8.328 -30.648 -2.715 67 2HB CYS 9 3HB CYS 9 -9.868 -30.514 -3.536 68 H SER 10 H SER 10 -9.776 -32.307 -4.253 69 HA SER 10 HA SER 10 -8.333 -34.872 -4.158 70 1HB SER 10 2HB SER 10 -10.031 -36.032 -5.479 71 2HB SER 10 3HB SER 10 -10.772 -35.452 -3.987 72 HG SER 10 HG SER 10 -12.120 -34.929 -5.695 73 H ARG 11 H ARG 11 -7.986 -35.651 -6.481 74 HA ARG 11 HA ARG 11 -6.751 -33.644 -8.121 75 1HB ARG 11 2HB ARG 11 -7.752 -36.459 -8.794 76 2HB ARG 11 3HB ARG 11 -6.833 -35.432 -9.899 77 1HG ARG 11 2HG ARG 11 -4.998 -35.303 -8.194 78 2HG ARG 11 3HG ARG 11 -5.882 -36.450 -7.187 79 1HD ARG 11 2HD ARG 11 -4.190 -37.673 -8.408 80 2HD ARG 11 3HD ARG 11 -5.779 -38.140 -9.003 81 HE ARG 11 HE ARG 11 -5.207 -37.355 -11.101 82 1HH1 ARG 11 1HH1 ARG 11 -2.870 -35.866 -8.904 83 2HH1 ARG 11 2HH1 ARG 11 -2.058 -35.098 -10.265 84 1HH2 ARG 11 1HH2 ARG 11 -4.001 -36.403 -12.691 85 2HH2 ARG 11 2HH2 ARG 11 -2.660 -35.351 -12.206 86 H GLU 12 H GLU 12 -10.029 -34.933 -8.097 87 HA GLU 12 HA GLU 12 -10.920 -33.901 -10.607 88 1HB GLU 12 2HB GLU 12 -12.066 -35.630 -9.221 89 2HB GLU 12 3HB GLU 12 -12.560 -34.367 -8.087 90 1HG GLU 12 2HG GLU 12 -13.839 -33.241 -9.882 91 2HG GLU 12 3HG GLU 12 -13.294 -34.455 -11.045 92 H ARG 13 H ARG 13 -10.988 -32.366 -7.346 93 HA ARG 13 HA ARG 13 -12.378 -29.965 -8.152 94 1HB ARG 13 2HB ARG 13 -10.627 -30.793 -5.831 95 2HB ARG 13 3HB ARG 13 -10.880 -29.075 -6.096 96 1HG ARG 13 2HG ARG 13 -13.331 -29.384 -6.029 97 2HG ARG 13 3HG ARG 13 -13.109 -31.121 -5.721 98 1HD ARG 13 2HD ARG 13 -12.009 -30.687 -3.624 99 2HD ARG 13 3HD ARG 13 -11.892 -28.947 -3.967 100 HE ARG 13 HE ARG 13 -14.638 -29.752 -3.961 101 1HH1 ARG 13 1HH1 ARG 13 -12.010 -29.151 -1.692 102 2HH1 ARG 13 2HH1 ARG 13 -13.114 -28.766 -0.401 103 1HH2 ARG 13 1HH2 ARG 13 -15.968 -29.230 -2.253 104 2HH2 ARG 13 2HH2 ARG 13 -15.285 -28.804 -0.713 105 H CYS 14 H CYS 14 -8.878 -30.656 -7.984 106 HA CYS 14 HA CYS 14 -8.142 -28.049 -9.015 107 1HB CYS 14 2HB CYS 14 -6.796 -29.714 -7.574 108 2HB CYS 14 3HB CYS 14 -6.387 -30.517 -9.090 109 HG CYS 14 HG CYS 14 -5.668 -28.203 -10.304 110 H ALA 15 H ALA 15 -8.761 -31.191 -10.555 111 HA ALA 15 HA ALA 15 -7.791 -30.567 -13.174 112 1HB ALA 15 1HB ALA 15 -10.082 -32.400 -12.334 113 2HB ALA 15 2HB ALA 15 -9.293 -32.387 -13.919 114 3HB ALA 15 3HB ALA 15 -8.372 -32.858 -12.483 115 H ASP 16 H ASP 16 -10.989 -29.971 -11.626 116 HA ASP 16 HA ASP 16 -12.241 -28.816 -13.927 117 1HB ASP 16 2HB ASP 16 -13.325 -29.641 -11.767 118 2HB ASP 16 3HB ASP 16 -12.840 -28.109 -11.037 119 H ALA 17 H ALA 17 -10.095 -27.428 -11.462 120 HA ALA 17 HA ALA 17 -10.397 -24.676 -12.300 121 1HB ALA 17 1HB ALA 17 -9.575 -25.413 -10.045 122 2HB ALA 17 2HB ALA 17 -8.062 -25.950 -10.811 123 3HB ALA 17 3HB ALA 17 -8.522 -24.242 -10.850 124 H LEU 18 H LEU 18 -8.286 -27.370 -13.403 125 HA LEU 18 HA LEU 18 -6.578 -25.742 -15.080 126 1HB LEU 18 2HB LEU 18 -5.696 -27.721 -14.126 127 2HB LEU 18 3HB LEU 18 -7.114 -28.670 -14.515 128 HG LEU 18 HG LEU 18 -6.596 -28.652 -16.842 129 1HD1 LEU 18 1HD1 LEU 18 -4.306 -27.951 -17.636 130 2HD1 LEU 18 2HD1 LEU 18 -5.278 -26.577 -17.121 131 3HD1 LEU 18 3HD1 LEU 18 -4.014 -27.211 -16.046 132 1HD2 LEU 18 1HD2 LEU 18 -4.252 -29.542 -15.111 133 2HD2 LEU 18 2HD2 LEU 18 -5.738 -30.468 -15.413 134 3HD2 LEU 18 3HD2 LEU 18 -4.610 -30.142 -16.741 135 H LYS 19 H LYS 19 -9.559 -27.763 -15.608 136 HA LYS 19 HA LYS 19 -9.804 -27.883 -18.299 137 1HB LYS 19 2HB LYS 19 -11.061 -28.922 -16.369 138 2HB LYS 19 3HB LYS 19 -11.903 -27.376 -16.145 139 1HG LYS 19 2HG LYS 19 -12.679 -27.567 -18.468 140 2HG LYS 19 3HG LYS 19 -12.006 -29.204 -18.527 141 1HD LYS 19 2HD LYS 19 -14.171 -28.171 -16.627 142 2HD LYS 19 3HD LYS 19 -14.467 -29.208 -18.026 143 1HE LYS 19 2HE LYS 19 -13.289 -31.065 -17.013 144 2HE LYS 19 3HE LYS 19 -12.676 -30.047 -15.706 145 1HZ LYS 19 1HZ LYS 19 -15.541 -30.680 -16.116 146 2HZ LYS 19 2HZ LYS 19 -14.584 -31.372 -15.005 147 3HZ LYS 19 3HZ LYS 19 -14.914 -29.763 -14.882 148 H THR 20 H THR 20 -10.537 -25.008 -16.290 149 HA THR 20 HA THR 20 -11.913 -23.609 -18.450 150 HB THR 20 HB THR 20 -11.914 -21.680 -16.913 151 HG1 THR 20 1HG THR 20 -11.077 -21.977 -14.840 152 1HG2 THR 20 1HG2 THR 20 -13.341 -22.632 -15.184 153 2HG2 THR 20 2HG2 THR 20 -13.691 -23.412 -16.736 154 3HG2 THR 20 3HG2 THR 20 -12.726 -24.266 -15.511 155 H LEU 21 H LEU 21 -8.527 -24.002 -17.788 156 HA LEU 21 HA LEU 21 -7.650 -21.422 -18.720 157 1HB LEU 21 2HB LEU 21 -6.209 -24.107 -18.600 158 2HB LEU 21 3HB LEU 21 -5.447 -22.556 -18.880 159 HG LEU 21 HG LEU 21 -6.833 -23.424 -16.309 160 1HD1 LEU 21 1HD1 LEU 21 -4.583 -23.298 -15.359 161 2HD1 LEU 21 2HD1 LEU 21 -4.594 -24.413 -16.732 162 3HD1 LEU 21 3HD1 LEU 21 -3.917 -22.785 -16.926 163 1HD2 LEU 21 1HD2 LEU 21 -7.185 -21.019 -16.563 164 2HD2 LEU 21 2HD2 LEU 21 -5.934 -21.303 -15.355 165 3HD2 LEU 21 3HD2 LEU 21 -5.472 -20.780 -16.991 166 HA PRO 22 HA PRO 22 -8.030 -21.683 -23.109 167 1HB PRO 22 2HB PRO 22 -5.125 -20.911 -23.338 168 2HB PRO 22 3HB PRO 22 -6.551 -20.198 -24.147 169 1HG PRO 22 2HG PRO 22 -5.399 -18.960 -22.023 170 2HG PRO 22 3HG PRO 22 -7.186 -19.037 -22.167 171 1HD PRO 22 2HD PRO 22 -5.361 -20.764 -20.483 172 2HD PRO 22 3HD PRO 22 -6.918 -19.993 -20.052 173 H ASP 23 H ASP 23 -8.106 -23.494 -24.348 174 HA ASP 23 HA ASP 23 -6.625 -25.831 -23.796 175 1HB ASP 23 2HB ASP 23 -8.847 -25.629 -24.963 176 2HB ASP 23 3HB ASP 23 -7.996 -25.118 -26.416 177 H GLU 24 H GLU 24 -6.006 -23.302 -26.163 178 HA GLU 24 HA GLU 24 -3.864 -24.591 -27.614 179 1HB GLU 24 2HB GLU 24 -4.437 -21.631 -27.151 180 2HB GLU 24 3HB GLU 24 -3.241 -22.271 -28.286 181 1HG GLU 24 2HG GLU 24 -5.055 -23.491 -29.492 182 2HG GLU 24 3HG GLU 24 -6.247 -22.764 -28.413 183 H GLU 25 H GLU 25 -3.866 -22.579 -24.642 184 HA GLU 25 HA GLU 25 -0.983 -22.500 -24.369 185 1HB GLU 25 2HB GLU 25 -2.681 -20.882 -23.369 186 2HB GLU 25 3HB GLU 25 -3.130 -22.156 -22.236 187 1HG GLU 25 2HG GLU 25 -1.637 -20.727 -21.116 188 2HG GLU 25 3HG GLU 25 -0.737 -22.204 -21.432 189 H VAL 26 H VAL 26 -3.600 -24.575 -23.068 190 HA VAL 26 HA VAL 26 -2.008 -26.263 -21.385 191 HB VAL 26 HB VAL 26 -4.626 -26.650 -22.869 192 1HG1 VAL 26 1HG1 VAL 26 -3.705 -28.918 -22.717 193 2HG1 VAL 26 2HG1 VAL 26 -3.388 -28.687 -20.985 194 3HG1 VAL 26 3HG1 VAL 26 -5.049 -28.701 -21.598 195 1HG2 VAL 26 1HG2 VAL 26 -3.962 -26.453 -19.902 196 2HG2 VAL 26 2HG2 VAL 26 -4.583 -25.127 -20.902 197 3HG2 VAL 26 3HG2 VAL 26 -5.585 -26.555 -20.619 198 H ASP 27 H ASP 27 -2.890 -26.615 -24.870 199 HA ASP 27 HA ASP 27 -1.346 -28.999 -25.238 200 1HB ASP 27 2HB ASP 27 -3.174 -27.691 -26.768 201 2HB ASP 27 3HB ASP 27 -1.710 -27.129 -27.560 202 H SER 28 H SER 28 -0.463 -25.555 -25.526 203 HA SER 28 HA SER 28 2.121 -25.924 -26.708 204 1HB SER 28 2HB SER 28 1.127 -23.690 -24.893 205 2HB SER 28 3HB SER 28 2.632 -23.672 -25.825 206 HG SER 28 HG SER 28 -0.032 -23.812 -26.824 207 H ILE 29 H ILE 29 1.155 -25.716 -23.216 208 HA ILE 29 HA ILE 29 3.824 -26.047 -22.232 209 HB ILE 29 HB ILE 29 1.179 -26.696 -20.878 210 1HG1 ILE 29 2HG1 ILE 29 2.939 -24.224 -20.536 211 2HG1 ILE 29 3HG1 ILE 29 1.588 -24.251 -21.639 212 1HG2 ILE 29 1HG2 ILE 29 2.558 -26.477 -18.760 213 2HG2 ILE 29 2HG2 ILE 29 3.056 -27.838 -19.748 214 3HG2 ILE 29 3HG2 ILE 29 4.012 -26.344 -19.760 215 1HD1 ILE 29 1HD1 ILE 29 0.033 -24.789 -19.763 216 2HD1 ILE 29 2HD1 ILE 29 1.389 -24.592 -18.626 217 3HD1 ILE 29 3HD1 ILE 29 0.851 -23.223 -19.606 218 H LEU 30 H LEU 30 1.214 -28.441 -22.950 219 HA LEU 30 HA LEU 30 2.688 -30.750 -22.110 220 1HB LEU 30 2HB LEU 30 0.497 -30.388 -24.194 221 2HB LEU 30 3HB LEU 30 1.177 -31.955 -23.776 222 HG LEU 30 HG LEU 30 -0.305 -30.122 -21.845 223 1HD1 LEU 30 1HD1 LEU 30 -1.764 -31.185 -23.510 224 2HD1 LEU 30 2HD1 LEU 30 -1.046 -32.774 -23.155 225 3HD1 LEU 30 3HD1 LEU 30 -2.001 -31.928 -21.922 226 1HD2 LEU 30 1HD2 LEU 30 0.965 -32.849 -21.445 227 2HD2 LEU 30 2HD2 LEU 30 1.301 -31.337 -20.559 228 3HD2 LEU 30 3HD2 LEU 30 -0.240 -32.148 -20.352 229 H ALA 31 H ALA 31 2.716 -29.021 -25.235 230 HA ALA 31 HA ALA 31 4.423 -30.890 -26.585 231 1HB ALA 31 1HB ALA 31 2.932 -29.280 -27.722 232 2HB ALA 31 2HB ALA 31 3.918 -27.930 -27.112 233 3HB ALA 31 3HB ALA 31 4.612 -29.097 -28.254 234 H GLU 32 H GLU 32 5.250 -28.808 -24.007 235 HA GLU 32 HA GLU 32 8.152 -28.838 -24.785 236 1HB GLU 32 2HB GLU 32 6.595 -26.746 -23.224 237 2HB GLU 32 3HB GLU 32 8.356 -26.809 -23.341 238 1HG GLU 32 2HG GLU 32 8.163 -26.675 -25.844 239 2HG GLU 32 3HG GLU 32 6.429 -26.416 -25.664 240 H ASP 33 H ASP 33 5.866 -29.728 -22.265 241 HA ASP 33 HA ASP 33 8.155 -30.854 -20.705 242 1HB ASP 33 2HB ASP 33 7.278 -28.564 -19.865 243 2HB ASP 33 3HB ASP 33 5.830 -29.430 -19.379 244 H GLY 34 H GLY 34 5.033 -31.487 -22.002 245 1HA GLY 34 2HA GLY 34 3.791 -33.409 -22.001 246 2HA GLY 34 3HA GLY 34 5.033 -34.187 -21.024 247 H GLU 35 H GLU 35 4.092 -31.534 -19.228 248 HA GLU 35 HA GLU 35 1.602 -32.570 -18.100 249 1HB GLU 35 2HB GLU 35 2.478 -32.901 -15.838 250 2HB GLU 35 3HB GLU 35 3.241 -34.007 -16.972 251 1HG GLU 35 2HG GLU 35 5.246 -32.500 -17.054 252 2HG GLU 35 3HG GLU 35 4.471 -31.442 -15.874 253 H ILE 36 H ILE 36 0.724 -31.211 -16.403 254 HA ILE 36 HA ILE 36 1.752 -28.406 -16.288 255 HB ILE 36 HB ILE 36 -1.144 -29.270 -16.685 256 1HG1 ILE 36 2HG1 ILE 36 0.721 -27.905 -18.673 257 2HG1 ILE 36 3HG1 ILE 36 0.197 -29.588 -18.757 258 1HG2 ILE 36 1HG2 ILE 36 -1.605 -26.836 -16.921 259 2HG2 ILE 36 2HG2 ILE 36 -0.947 -27.195 -15.346 260 3HG2 ILE 36 3HG2 ILE 36 0.102 -26.479 -16.591 261 1HD1 ILE 36 1HD1 ILE 36 -1.523 -27.143 -19.139 262 2HD1 ILE 36 2HD1 ILE 36 -1.158 -28.462 -20.265 263 3HD1 ILE 36 3HD1 ILE 36 -2.178 -28.777 -18.843 264 H ASP 37 H ASP 37 1.640 -27.505 -14.306 265 HA ASP 37 HA ASP 37 0.397 -29.029 -12.045 266 1HB ASP 37 2HB ASP 37 2.813 -28.668 -11.848 267 2HB ASP 37 3HB ASP 37 2.596 -26.932 -12.072 268 H MET 38 H MET 38 -1.312 -28.147 -11.011 269 HA MET 38 HA MET 38 -2.074 -25.321 -11.582 270 1HB MET 38 2HB MET 38 -3.369 -26.888 -12.997 271 2HB MET 38 3HB MET 38 -3.936 -27.731 -11.554 272 1HG MET 38 2HG MET 38 -5.612 -26.143 -12.451 273 2HG MET 38 3HG MET 38 -5.138 -25.742 -10.811 274 1HE MET 38 1HE MET 38 -5.969 -23.338 -10.715 275 2HE MET 38 2HE MET 38 -5.759 -22.138 -12.010 276 3HE MET 38 3HE MET 38 -6.742 -23.585 -12.298 277 H HIS 39 H HIS 39 -3.342 -24.284 -10.019 278 HA HIS 39 HA HIS 39 -2.605 -25.047 -7.266 279 1HB HIS 39 2HB HIS 39 -2.043 -22.842 -8.148 280 2HB HIS 39 3HB HIS 39 -3.728 -22.536 -8.561 281 HD1 HIS 39 HD1 HIS 39 -2.247 -23.675 -5.103 282 HD2 HIS 39 HD2 HIS 39 -4.472 -20.637 -7.001 283 HE1 HIS 39 HE1 HIS 39 -2.761 -21.936 -3.324 284 H CYS 40 H CYS 40 -3.934 -25.581 -5.720 285 HA CYS 40 HA CYS 40 -6.746 -26.202 -6.141 286 1HB CYS 40 2HB CYS 40 -4.981 -27.596 -4.878 287 2HB CYS 40 3HB CYS 40 -5.057 -26.362 -3.625 288 H ASP 41 H ASP 41 -7.322 -23.892 -6.576 289 HA ASP 41 HA ASP 41 -7.050 -21.797 -4.709 290 1HB ASP 41 2HB ASP 41 -8.629 -20.597 -5.977 291 2HB ASP 41 3HB ASP 41 -7.720 -21.583 -7.111 292 H TYR 42 H TYR 42 -8.996 -24.562 -4.376 293 HA TYR 42 HA TYR 42 -11.153 -23.668 -2.733 294 1HB TYR 42 2HB TYR 42 -9.663 -26.299 -3.058 295 2HB TYR 42 3HB TYR 42 -11.004 -26.112 -1.953 296 HD1 TYR 42 HD1 TYR 42 -10.048 -26.482 -5.488 297 HD2 TYR 42 HD2 TYR 42 -13.297 -25.608 -2.773 298 HE1 TYR 42 HE1 TYR 42 -11.682 -26.794 -7.332 299 HE2 TYR 42 HE2 TYR 42 -14.932 -25.992 -4.617 300 HH TYR 42 HH TYR 42 -13.890 -26.808 -7.947 301 H CYS 43 H CYS 43 -7.781 -24.601 -1.919 302 HA CYS 43 HA CYS 43 -8.130 -23.389 0.760 303 1HB CYS 43 2HB CYS 43 -7.220 -25.424 1.867 304 2HB CYS 43 3HB CYS 43 -8.829 -25.643 1.164 305 H GLY 44 H GLY 44 -5.852 -24.188 -1.803 306 1HA GLY 44 2HA GLY 44 -4.003 -22.478 -1.703 307 2HA GLY 44 3HA GLY 44 -3.636 -23.071 -0.096 308 H ASN 45 H ASN 45 -4.307 -25.879 -1.452 309 HA ASN 45 HA ASN 45 -1.556 -26.689 -1.785 310 1HB ASN 45 2HB ASN 45 -3.479 -27.964 -0.767 311 2HB ASN 45 3HB ASN 45 -4.161 -28.167 -2.374 312 1HD2 ASN 45 2HD2 ASN 45 -4.049 -30.477 -1.925 313 2HD2 ASN 45 1HD2 ASN 45 -2.509 -31.305 -2.146 314 H HIS 46 H HIS 46 -1.477 -28.495 -3.858 315 HA HIS 46 HA HIS 46 -2.305 -27.315 -6.389 316 1HB HIS 46 2HB HIS 46 -0.139 -27.052 -7.342 317 2HB HIS 46 3HB HIS 46 -0.144 -26.134 -5.848 318 HD1 HIS 46 HD1 HIS 46 1.869 -28.626 -7.671 319 HD2 HIS 46 HD2 HIS 46 1.118 -27.565 -3.658 320 HE1 HIS 46 HE1 HIS 46 3.764 -29.640 -6.287 321 H TYR 47 H TYR 47 -1.781 -28.815 -8.255 322 HA TYR 47 HA TYR 47 -1.206 -31.627 -7.581 323 1HB TYR 47 2HB TYR 47 -3.836 -30.613 -8.745 324 2HB TYR 47 3HB TYR 47 -3.293 -32.261 -8.899 325 HD1 TYR 47 HD1 TYR 47 -4.571 -29.720 -6.508 326 HD2 TYR 47 HD2 TYR 47 -3.434 -33.841 -7.072 327 HE1 TYR 47 HE1 TYR 47 -5.756 -30.331 -4.406 328 HE2 TYR 47 HE2 TYR 47 -4.639 -34.456 -4.977 329 HH TYR 47 HH TYR 47 -6.274 -32.021 -2.936 330 H LEU 48 H LEU 48 -0.565 -32.771 -9.443 331 HA LEU 48 HA LEU 48 -0.160 -31.097 -11.844 332 1HB LEU 48 2HB LEU 48 1.924 -32.256 -12.296 333 2HB LEU 48 3HB LEU 48 1.901 -31.429 -10.755 334 HG LEU 48 HG LEU 48 1.378 -33.773 -9.707 335 1HD1 LEU 48 1HD1 LEU 48 2.588 -34.616 -12.383 336 2HD1 LEU 48 2HD1 LEU 48 2.423 -35.655 -10.953 337 3HD1 LEU 48 3HD1 LEU 48 0.984 -35.073 -11.778 338 1HD2 LEU 48 1HD2 LEU 48 4.087 -33.171 -10.956 339 2HD2 LEU 48 2HD2 LEU 48 3.481 -32.530 -9.413 340 3HD2 LEU 48 3HD2 LEU 48 3.784 -34.264 -9.585 341 H PHE 49 H PHE 49 -0.419 -31.914 -13.884 342 HA PHE 49 HA PHE 49 -1.923 -34.487 -14.178 343 1HB PHE 49 2HB PHE 49 -2.623 -31.749 -15.320 344 2HB PHE 49 3HB PHE 49 -3.470 -33.252 -15.662 345 HD1 PHE 49 HD1 PHE 49 -2.865 -30.623 -13.112 346 HD2 PHE 49 HD2 PHE 49 -4.951 -34.283 -14.018 347 HE1 PHE 49 HE1 PHE 49 -4.280 -30.320 -11.096 348 HE2 PHE 49 HE2 PHE 49 -6.333 -34.004 -11.979 349 HZ PHE 49 HZ PHE 49 -5.996 -32.040 -10.514 350 H ASN 50 H ASN 50 -1.192 -35.731 -15.765 351 HA ASN 50 HA ASN 50 0.816 -34.723 -17.696 352 1HB ASN 50 2HB ASN 50 -0.288 -37.526 -17.261 353 2HB ASN 50 3HB ASN 50 1.111 -37.105 -18.236 354 1HD2 ASN 50 2HD2 ASN 50 1.138 -39.005 -16.095 355 2HD2 ASN 50 1HD2 ASN 50 2.233 -38.356 -14.883 356 H ALA 51 H ALA 51 0.594 -35.623 -19.996 357 HA ALA 51 HA ALA 51 -1.627 -34.497 -21.317 358 1HB ALA 51 1HB ALA 51 -0.752 -35.668 -23.301 359 2HB ALA 51 2HB ALA 51 0.574 -34.965 -22.359 360 3HB ALA 51 3HB ALA 51 0.250 -36.710 -22.268 361 H MET 52 H MET 52 -1.179 -37.863 -20.217 362 HA MET 52 HA MET 52 -3.463 -39.015 -21.494 363 1HB MET 52 2HB MET 52 -2.092 -39.873 -18.902 364 2HB MET 52 3HB MET 52 -3.183 -40.840 -19.895 365 1HG MET 52 2HG MET 52 -1.076 -41.618 -20.475 366 2HG MET 52 3HG MET 52 -1.516 -40.556 -21.809 367 1HE MET 52 1HE MET 52 2.373 -40.211 -21.695 368 2HE MET 52 2HE MET 52 1.409 -41.671 -21.387 369 3HE MET 52 3HE MET 52 0.944 -40.557 -22.693 370 H ASP 53 H ASP 53 -3.106 -37.381 -18.338 371 HA ASP 53 HA ASP 53 -5.804 -37.974 -17.412 372 1HB ASP 53 2HB ASP 53 -3.611 -37.341 -16.115 373 2HB ASP 53 3HB ASP 53 -4.069 -35.677 -16.448 374 H ILE 54 H ILE 54 -4.163 -35.208 -18.960 375 HA ILE 54 HA ILE 54 -6.393 -33.429 -19.099 376 HB ILE 54 HB ILE 54 -3.739 -33.637 -20.528 377 1HG1 ILE 54 2HG1 ILE 54 -4.894 -31.519 -18.673 378 2HG1 ILE 54 3HG1 ILE 54 -4.112 -32.954 -18.033 379 1HG2 ILE 54 1HG2 ILE 54 -5.901 -31.528 -20.971 380 2HG2 ILE 54 2HG2 ILE 54 -4.207 -31.338 -21.455 381 3HG2 ILE 54 3HG2 ILE 54 -5.180 -32.605 -22.190 382 1HD1 ILE 54 1HD1 ILE 54 -2.717 -30.925 -19.806 383 2HD1 ILE 54 2HD1 ILE 54 -2.559 -31.092 -18.046 384 3HD1 ILE 54 3HD1 ILE 54 -2.015 -32.404 -19.098 385 H ALA 55 H ALA 55 -5.429 -36.103 -21.200 386 HA ALA 55 HA ALA 55 -7.238 -35.539 -23.343 387 1HB ALA 55 1HB ALA 55 -6.324 -38.250 -22.303 388 2HB ALA 55 2HB ALA 55 -7.061 -37.924 -23.882 389 3HB ALA 55 3HB ALA 55 -5.460 -37.246 -23.490 390 H GLU 56 H GLU 56 -7.851 -37.051 -20.127 391 HA GLU 56 HA GLU 56 -10.610 -37.787 -20.805 392 1HB GLU 56 2HB GLU 56 -9.243 -37.533 -18.091 393 2HB GLU 56 3HB GLU 56 -10.868 -38.156 -18.383 394 1HG GLU 56 2HG GLU 56 -9.894 -39.936 -19.858 395 2HG GLU 56 3HG GLU 56 -8.277 -39.369 -19.435 396 H ILE 57 H ILE 57 -9.010 -35.006 -19.196 397 HA ILE 57 HA ILE 57 -11.383 -33.580 -18.472 398 HB ILE 57 HB ILE 57 -8.584 -32.646 -19.194 399 1HG1 ILE 57 2HG1 ILE 57 -9.911 -33.011 -16.462 400 2HG1 ILE 57 3HG1 ILE 57 -8.839 -34.194 -17.200 401 1HG2 ILE 57 1HG2 ILE 57 -10.169 -30.750 -19.438 402 2HG2 ILE 57 2HG2 ILE 57 -10.797 -31.078 -17.803 403 3HG2 ILE 57 3HG2 ILE 57 -9.129 -30.518 -18.045 404 1HD1 ILE 57 1HD1 ILE 57 -7.017 -32.477 -17.256 405 2HD1 ILE 57 2HD1 ILE 57 -8.060 -31.414 -16.279 406 3HD1 ILE 57 3HD1 ILE 57 -7.536 -32.981 -15.642 407 H ARG 58 H ARG 58 -9.556 -33.734 -21.523 408 HA ARG 58 HA ARG 58 -11.218 -31.794 -22.964 409 1HB ARG 58 2HB ARG 58 -9.073 -33.816 -23.751 410 2HB ARG 58 3HB ARG 58 -9.915 -32.826 -24.942 411 1HG ARG 58 2HG ARG 58 -9.092 -30.778 -23.992 412 2HG ARG 58 3HG ARG 58 -8.344 -31.625 -22.622 413 1HD ARG 58 2HD ARG 58 -6.741 -32.709 -24.016 414 2HD ARG 58 3HD ARG 58 -7.630 -32.303 -25.497 415 HE ARG 58 HE ARG 58 -7.038 -29.819 -24.505 416 1HH1 ARG 58 1HH2 ARG 58 -4.967 -32.522 -25.520 417 2HH1 ARG 58 2HH2 ARG 58 -3.809 -31.356 -26.169 418 1HH2 ARG 58 2HH1 ARG 58 -5.525 -28.604 -25.293 419 2HH2 ARG 58 1HH1 ARG 58 -4.060 -29.328 -26.006 420 H ASN 59 H ASN 59 -11.221 -35.331 -22.713 421 HA ASN 59 HA ASN 59 -13.238 -35.542 -24.877 422 1HB ASN 59 2HB ASN 59 -10.968 -36.721 -24.851 423 2HB ASN 59 3HB ASN 59 -11.593 -37.705 -23.527 424 1HD2 ASN 59 2HD2 ASN 59 -11.164 -39.553 -24.801 425 2HD2 ASN 59 1HD2 ASN 59 -12.205 -39.985 -26.142 426 H ASN 60 H ASN 60 -13.337 -35.526 -21.556 427 HA ASN 60 HA ASN 60 -16.064 -36.722 -21.542 428 1HB ASN 60 2HB ASN 60 -14.228 -38.392 -20.818 429 2HB ASN 60 3HB ASN 60 -14.022 -37.382 -19.389 430 1HD2 ASN 60 2HD2 ASN 60 -14.632 -39.307 -18.154 431 2HD2 ASN 60 1HD2 ASN 60 -16.329 -39.744 -18.032 432 H ALA 61 H ALA 61 -13.805 -34.409 -20.201 433 HA ALA 61 HA ALA 61 -13.978 -32.648 -18.827 434 1HB ALA 61 1HB ALA 61 -15.176 -31.962 -20.867 435 2HB ALA 61 2HB ALA 61 -16.719 -32.429 -20.115 436 3HB ALA 61 3HB ALA 61 -15.756 -31.102 -19.432 437 H SER 62 H SER 62 -14.713 -35.059 -17.424 438 HA SER 62 HA SER 62 -16.819 -35.075 -15.683 439 1HB SER 62 2HB SER 62 -13.944 -35.705 -14.936 440 2HB SER 62 3HB SER 62 -15.412 -36.339 -14.166 441 HG SER 62 HG SER 62 -14.612 -37.829 -15.713 Start of MODEL 12 1 1H MET 1 H1 MET 1 -2.759 -23.704 9.713 2 2H MET 1 H2 MET 1 -3.883 -24.824 9.318 3 3H MET 1 H3 MET 1 -4.059 -23.930 10.684 4 HA MET 1 HA MET 1 -2.081 -24.929 11.647 5 1HB MET 1 2HB MET 1 -4.220 -26.918 10.754 6 2HB MET 1 3HB MET 1 -2.931 -27.283 11.897 7 1HG MET 1 2HG MET 1 -4.819 -26.789 13.208 8 2HG MET 1 3HG MET 1 -3.709 -25.440 13.373 9 1HE MET 1 1HE MET 1 -7.847 -25.382 11.274 10 2HE MET 1 2HE MET 1 -6.528 -26.394 10.652 11 3HE MET 1 3HE MET 1 -7.205 -26.706 12.268 12 H ASP 2 H ASP 2 -0.229 -26.142 11.417 13 HA ASP 2 HA ASP 2 0.824 -26.496 8.775 14 1HB ASP 2 2HB ASP 2 2.083 -25.908 10.866 15 2HB ASP 2 3HB ASP 2 1.853 -27.565 11.432 16 H VAL 3 H VAL 3 1.629 -28.447 7.802 17 HA VAL 3 HA VAL 3 -0.312 -30.617 7.743 18 HB VAL 3 HB VAL 3 2.386 -30.380 6.344 19 1HG1 VAL 3 1HG1 VAL 3 -0.013 -32.196 5.801 20 2HG1 VAL 3 2HG1 VAL 3 1.399 -32.015 4.738 21 3HG1 VAL 3 3HG1 VAL 3 1.602 -32.709 6.335 22 1HG2 VAL 3 1HG2 VAL 3 -0.422 -29.713 5.358 23 2HG2 VAL 3 2HG2 VAL 3 0.885 -28.545 5.664 24 3HG2 VAL 3 3HG2 VAL 3 1.051 -29.730 4.364 25 H GLU 4 H GLU 4 -0.366 -32.286 9.119 26 HA GLU 4 HA GLU 4 1.889 -33.003 10.822 27 1HB GLU 4 2HB GLU 4 -0.941 -34.118 10.564 28 2HB GLU 4 3HB GLU 4 0.223 -34.577 11.812 29 1HG GLU 4 2HG GLU 4 0.332 -32.200 12.572 30 2HG GLU 4 3HG GLU 4 -0.947 -31.798 11.422 31 H PHE 5 H PHE 5 2.176 -33.475 7.987 32 HA PHE 5 HA PHE 5 3.261 -36.207 8.036 33 1HB PHE 5 2HB PHE 5 1.020 -36.623 7.187 34 2HB PHE 5 3HB PHE 5 1.195 -35.359 5.976 35 HD1 PHE 5 HD1 PHE 5 2.169 -35.854 3.844 36 HD2 PHE 5 HD2 PHE 5 2.678 -38.631 7.102 37 HE1 PHE 5 HE1 PHE 5 3.164 -37.507 2.280 38 HE2 PHE 5 HE2 PHE 5 3.678 -40.282 5.536 39 HZ PHE 5 HZ PHE 5 3.927 -39.721 3.124 40 H LYS 6 H LYS 6 5.181 -35.041 8.134 41 HA LYS 6 HA LYS 6 6.320 -34.331 5.496 42 1HB LYS 6 2HB LYS 6 6.612 -32.518 7.906 43 2HB LYS 6 3HB LYS 6 7.456 -32.344 6.372 44 1HG LYS 6 2HG LYS 6 5.288 -31.964 5.207 45 2HG LYS 6 3HG LYS 6 4.447 -32.039 6.763 46 1HD LYS 6 2HD LYS 6 6.567 -29.989 6.002 47 2HD LYS 6 3HD LYS 6 4.815 -29.726 6.025 48 1HE LYS 6 2HE LYS 6 4.806 -30.334 8.472 49 2HE LYS 6 3HE LYS 6 6.573 -30.408 8.426 50 1HZ LYS 6 1HZ LYS 6 6.567 -28.037 7.779 51 2HZ LYS 6 2HZ LYS 6 4.909 -28.013 7.864 52 3HZ LYS 6 3HZ LYS 6 5.738 -28.255 9.195 53 H CYS 7 H CYS 7 8.053 -35.528 5.324 54 HA CYS 7 HA CYS 7 9.278 -36.909 7.550 55 1HB CYS 7 2HB CYS 7 10.483 -38.041 5.820 56 2HB CYS 7 3HB CYS 7 8.804 -37.888 5.314 57 H THR 8 H THR 8 11.772 -37.081 7.350 58 HA THR 8 HA THR 8 12.917 -34.629 8.361 59 HB THR 8 HB THR 8 14.989 -36.080 8.521 60 HG1 THR 8 1HG THR 8 14.437 -38.365 8.149 61 1HG2 THR 8 1HG2 THR 8 14.124 -37.565 10.227 62 2HG2 THR 8 2HG2 THR 8 13.295 -36.006 10.346 63 3HG2 THR 8 3HG2 THR 8 12.465 -37.396 9.613 64 H CYS 9 H CYS 9 12.166 -34.947 5.306 65 HA CYS 9 HA CYS 9 14.559 -34.814 3.827 66 1HB CYS 9 2HB CYS 9 13.206 -34.171 1.958 67 2HB CYS 9 3HB CYS 9 12.350 -35.357 2.910 68 H SER 10 H SER 10 14.940 -33.098 2.280 69 HA SER 10 HA SER 10 14.932 -30.278 2.865 70 1HB SER 10 2HB SER 10 17.495 -31.913 3.189 71 2HB SER 10 3HB SER 10 17.508 -30.187 2.796 72 HG SER 10 HG SER 10 16.064 -31.176 5.022 73 H ARG 11 H ARG 11 16.389 -29.248 0.991 74 HA ARG 11 HA ARG 11 15.425 -30.187 -1.497 75 1HB ARG 11 2HB ARG 11 16.432 -27.901 -0.836 76 2HB ARG 11 3HB ARG 11 18.008 -28.593 -1.213 77 1HG ARG 11 2HG ARG 11 17.299 -29.047 -3.533 78 2HG ARG 11 3HG ARG 11 15.649 -28.569 -3.149 79 1HD ARG 11 2HD ARG 11 16.487 -26.697 -4.254 80 2HD ARG 11 3HD ARG 11 16.581 -26.250 -2.559 81 HE ARG 11 HE ARG 11 18.940 -26.360 -2.638 82 1HH1 ARG 11 1HH2 ARG 11 17.647 -27.315 -5.784 83 2HH1 ARG 11 2HH2 ARG 11 19.264 -27.403 -6.466 84 1HH2 ARG 11 1HH1 ARG 11 20.913 -26.299 -3.722 85 2HH2 ARG 11 2HH1 ARG 11 20.954 -26.621 -5.444 86 H GLU 12 H GLU 12 18.388 -30.984 0.145 87 HA GLU 12 HA GLU 12 19.788 -32.408 -1.880 88 1HB GLU 12 2HB GLU 12 20.646 -31.651 0.348 89 2HB GLU 12 3HB GLU 12 19.754 -32.967 1.115 90 1HG GLU 12 2HG GLU 12 21.084 -34.622 -0.167 91 2HG GLU 12 3HG GLU 12 21.920 -33.314 -1.009 92 H ARG 13 H ARG 13 17.225 -33.609 0.328 93 HA ARG 13 HA ARG 13 17.438 -36.409 -0.499 94 1HB ARG 13 2HB ARG 13 15.343 -34.785 0.995 95 2HB ARG 13 3HB ARG 13 15.060 -36.459 0.559 96 1HG ARG 13 2HG ARG 13 17.711 -36.023 1.842 97 2HG ARG 13 3HG ARG 13 16.366 -35.577 2.873 98 1HD ARG 13 2HD ARG 13 16.524 -38.256 1.435 99 2HD ARG 13 3HD ARG 13 17.200 -37.996 3.033 100 HE ARG 13 HE ARG 13 14.342 -38.160 2.314 101 1HH1 ARG 13 1HH1 ARG 13 16.609 -37.386 4.899 102 2HH1 ARG 13 2HH1 ARG 13 15.355 -37.543 6.114 103 1HH2 ARG 13 1HH2 ARG 13 12.823 -38.252 3.993 104 2HH2 ARG 13 2HH2 ARG 13 13.396 -38.046 5.638 105 H CYS 14 H CYS 14 15.303 -33.736 -1.455 106 HA CYS 14 HA CYS 14 13.882 -35.140 -3.520 107 1HB CYS 14 2HB CYS 14 13.315 -32.911 -2.443 108 2HB CYS 14 3HB CYS 14 14.585 -32.171 -3.427 109 HG CYS 14 HG CYS 14 13.634 -33.200 -5.736 110 H ALA 15 H ALA 15 16.960 -33.336 -3.544 111 HA ALA 15 HA ALA 15 17.470 -33.385 -6.340 112 1HB ALA 15 1HB ALA 15 18.710 -32.040 -4.554 113 2HB ALA 15 2HB ALA 15 19.578 -33.524 -4.141 114 3HB ALA 15 3HB ALA 15 19.736 -32.838 -5.761 115 H ASP 16 H ASP 16 18.268 -35.784 -3.780 116 HA ASP 16 HA ASP 16 19.752 -37.582 -5.393 117 1HB ASP 16 2HB ASP 16 19.490 -37.504 -2.846 118 2HB ASP 16 3HB ASP 16 17.982 -38.392 -3.068 119 H ALA 17 H ALA 17 16.239 -37.228 -5.022 120 HA ALA 17 HA ALA 17 15.540 -39.623 -6.494 121 1HB ALA 17 1HB ALA 17 13.284 -38.686 -6.483 122 2HB ALA 17 2HB ALA 17 14.018 -38.504 -4.878 123 3HB ALA 17 3HB ALA 17 13.897 -37.105 -5.969 124 H LEU 18 H LEU 18 16.282 -36.264 -7.480 125 HA LEU 18 HA LEU 18 15.438 -36.586 -10.250 126 1HB LEU 18 2HB LEU 18 15.235 -34.429 -9.430 127 2HB LEU 18 3HB LEU 18 16.693 -34.521 -8.462 128 HG LEU 18 HG LEU 18 18.084 -34.325 -10.441 129 1HD1 LEU 18 1HD1 LEU 18 15.470 -33.765 -11.934 130 2HD1 LEU 18 2HD1 LEU 18 17.102 -33.481 -12.578 131 3HD1 LEU 18 3HD1 LEU 18 16.567 -35.126 -12.245 132 1HD2 LEU 18 1HD2 LEU 18 17.629 -31.926 -10.814 133 2HD2 LEU 18 2HD2 LEU 18 16.014 -32.120 -10.103 134 3HD2 LEU 18 3HD2 LEU 18 17.468 -32.362 -9.108 135 H LYS 19 H LYS 19 18.599 -36.617 -8.461 136 HA LYS 19 HA LYS 19 20.472 -36.777 -10.386 137 1HB LYS 19 2HB LYS 19 20.580 -36.540 -7.894 138 2HB LYS 19 3HB LYS 19 20.139 -38.250 -7.737 139 1HG LYS 19 2HG LYS 19 22.198 -38.702 -9.128 140 2HG LYS 19 3HG LYS 19 22.645 -37.012 -8.801 141 1HD LYS 19 2HD LYS 19 22.040 -39.164 -6.703 142 2HD LYS 19 3HD LYS 19 23.663 -38.702 -7.191 143 1HE LYS 19 2HE LYS 19 23.336 -36.423 -6.349 144 2HE LYS 19 3HE LYS 19 21.649 -36.782 -5.945 145 1HZ LYS 19 1HZ LYS 19 22.440 -38.476 -4.387 146 2HZ LYS 19 2HZ LYS 19 24.016 -38.114 -4.752 147 3HZ LYS 19 3HZ LYS 19 23.063 -37.017 -3.988 148 H THR 20 H THR 20 18.449 -39.531 -9.257 149 HA THR 20 HA THR 20 19.971 -41.489 -10.806 150 HB THR 20 HB THR 20 18.255 -43.091 -9.990 151 HG1 THR 20 1HG THR 20 16.749 -42.326 -8.498 152 1HG2 THR 20 1HG2 THR 20 20.275 -42.594 -8.631 153 2HG2 THR 20 2HG2 THR 20 19.383 -41.311 -7.784 154 3HG2 THR 20 3HG2 THR 20 18.870 -43.004 -7.634 155 H LEU 21 H LEU 21 17.466 -39.343 -11.771 156 HA LEU 21 HA LEU 21 16.030 -41.059 -13.581 157 1HB LEU 21 2HB LEU 21 16.525 -38.046 -13.587 158 2HB LEU 21 3HB LEU 21 15.356 -38.852 -14.598 159 HG LEU 21 HG LEU 21 15.255 -38.755 -11.559 160 1HD1 LEU 21 1HD1 LEU 21 14.776 -36.595 -12.679 161 2HD1 LEU 21 2HD1 LEU 21 13.525 -37.386 -13.659 162 3HD1 LEU 21 3HD1 LEU 21 13.341 -37.270 -11.893 163 1HD2 LEU 21 1HD2 LEU 21 13.271 -39.908 -13.567 164 2HD2 LEU 21 2HD2 LEU 21 14.191 -40.817 -12.343 165 3HD2 LEU 21 3HD2 LEU 21 12.958 -39.665 -11.833 166 HA PRO 22 HA PRO 22 18.772 -41.580 -17.016 167 1HB PRO 22 2HB PRO 22 17.138 -40.834 -19.206 168 2HB PRO 22 3HB PRO 22 17.289 -42.445 -18.473 169 1HG PRO 22 2HG PRO 22 15.192 -40.346 -18.000 170 2HG PRO 22 3HG PRO 22 15.001 -42.121 -18.039 171 1HD PRO 22 2HD PRO 22 15.048 -40.713 -15.720 172 2HD PRO 22 3HD PRO 22 15.781 -42.336 -15.830 173 H ASP 23 H ASP 23 20.440 -40.275 -17.358 174 HA ASP 23 HA ASP 23 20.386 -37.495 -17.044 175 1HB ASP 23 2HB ASP 23 22.336 -39.209 -16.946 176 2HB ASP 23 3HB ASP 23 22.508 -38.923 -18.676 177 H GLU 24 H GLU 24 20.099 -39.356 -20.025 178 HA GLU 24 HA GLU 24 20.324 -37.176 -21.903 179 1HB GLU 24 2HB GLU 24 18.860 -39.845 -22.083 180 2HB GLU 24 3HB GLU 24 19.073 -38.724 -23.434 181 1HG GLU 24 2HG GLU 24 21.533 -38.905 -23.223 182 2HG GLU 24 3HG GLU 24 21.346 -40.038 -21.882 183 H GLU 25 H GLU 25 17.518 -38.502 -20.089 184 HA GLU 25 HA GLU 25 15.565 -36.793 -21.403 185 1HB GLU 25 2HB GLU 25 15.067 -38.968 -20.239 186 2HB GLU 25 3HB GLU 25 15.386 -38.163 -18.692 187 1HG GLU 25 2HG GLU 25 13.558 -36.577 -19.105 188 2HG GLU 25 3HG GLU 25 13.292 -37.259 -20.712 189 H VAL 26 H VAL 26 17.386 -36.610 -18.312 190 HA VAL 26 HA VAL 26 16.294 -34.137 -17.361 191 HB VAL 26 HB VAL 26 18.990 -35.471 -16.904 192 1HG1 VAL 26 1HG1 VAL 26 17.817 -33.084 -15.421 193 2HG1 VAL 26 2HG1 VAL 26 19.236 -34.019 -14.914 194 3HG1 VAL 26 3HG1 VAL 26 19.296 -33.083 -16.407 195 1HG2 VAL 26 1HG2 VAL 26 18.005 -36.069 -14.722 196 2HG2 VAL 26 2HG2 VAL 26 16.498 -35.232 -15.154 197 3HG2 VAL 26 3HG2 VAL 26 16.998 -36.689 -16.034 198 H ASP 27 H ASP 27 19.213 -34.747 -19.385 199 HA ASP 27 HA ASP 27 19.915 -32.011 -19.781 200 1HB ASP 27 2HB ASP 27 21.402 -33.936 -20.207 201 2HB ASP 27 3HB ASP 27 20.380 -34.438 -21.557 202 H SER 28 H SER 28 17.652 -34.133 -21.601 203 HA SER 28 HA SER 28 17.153 -32.329 -23.767 204 1HB SER 28 2HB SER 28 15.312 -34.435 -22.564 205 2HB SER 28 3HB SER 28 15.044 -33.578 -24.087 206 HG SER 28 HG SER 28 17.186 -35.335 -23.432 207 H ILE 29 H ILE 29 15.473 -32.648 -20.575 208 HA ILE 29 HA ILE 29 13.538 -30.602 -21.107 209 HB ILE 29 HB ILE 29 14.649 -31.562 -18.438 210 1HG1 ILE 29 2HG1 ILE 29 12.033 -32.351 -19.800 211 2HG1 ILE 29 3HG1 ILE 29 13.489 -33.305 -19.951 212 1HG2 ILE 29 1HG2 ILE 29 12.162 -29.915 -19.128 213 2HG2 ILE 29 2HG2 ILE 29 12.479 -30.608 -17.532 214 3HG2 ILE 29 3HG2 ILE 29 13.554 -29.375 -18.167 215 1HD1 ILE 29 1HD1 ILE 29 12.010 -32.768 -17.353 216 2HD1 ILE 29 2HD1 ILE 29 12.159 -34.296 -18.230 217 3HD1 ILE 29 3HD1 ILE 29 13.592 -33.578 -17.470 218 H LEU 30 H LEU 30 16.758 -30.501 -19.503 219 HA LEU 30 HA LEU 30 16.741 -27.701 -18.923 220 1HB LEU 30 2HB LEU 30 19.035 -29.635 -19.430 221 2HB LEU 30 3HB LEU 30 19.247 -27.993 -18.827 222 HG LEU 30 HG LEU 30 17.632 -30.143 -17.383 223 1HD1 LEU 30 1HD1 LEU 30 19.995 -30.734 -17.467 224 2HD1 LEU 30 2HD1 LEU 30 20.455 -29.113 -16.917 225 3HD1 LEU 30 3HD1 LEU 30 19.562 -30.211 -15.837 226 1HD2 LEU 30 1HD2 LEU 30 17.786 -28.603 -15.457 227 2HD2 LEU 30 2HD2 LEU 30 18.513 -27.373 -16.513 228 3HD2 LEU 30 3HD2 LEU 30 16.846 -27.933 -16.775 229 H ALA 31 H ALA 31 17.722 -29.416 -21.900 230 HA ALA 31 HA ALA 31 18.764 -27.112 -23.250 231 1HB ALA 31 1HB ALA 31 17.631 -29.719 -24.351 232 2HB ALA 31 2HB ALA 31 18.651 -28.566 -25.234 233 3HB ALA 31 3HB ALA 31 19.314 -29.443 -23.845 234 H GLU 32 H GLU 32 15.502 -27.767 -22.441 235 HA GLU 32 HA GLU 32 14.507 -25.933 -24.602 236 1HB GLU 32 2HB GLU 32 13.119 -28.320 -23.332 237 2HB GLU 32 3HB GLU 32 12.343 -27.142 -24.396 238 1HG GLU 32 2HG GLU 32 14.042 -27.696 -26.175 239 2HG GLU 32 3HG GLU 32 14.627 -29.009 -25.155 240 H ASP 33 H ASP 33 14.726 -26.350 -21.158 241 HA ASP 33 HA ASP 33 13.106 -23.866 -20.823 242 1HB ASP 33 2HB ASP 33 11.769 -26.040 -20.394 243 2HB ASP 33 3HB ASP 33 12.769 -26.239 -18.965 244 H GLY 34 H GLY 34 15.960 -25.572 -19.912 245 1HA GLY 34 2HA GLY 34 17.748 -24.907 -18.652 246 2HA GLY 34 3HA GLY 34 16.929 -23.382 -18.333 247 H GLU 35 H GLU 35 14.717 -25.498 -17.166 248 HA GLU 35 HA GLU 35 16.004 -26.251 -14.653 249 1HB GLU 35 2HB GLU 35 14.436 -24.970 -13.230 250 2HB GLU 35 3HB GLU 35 15.524 -23.940 -14.133 251 1HG GLU 35 2HG GLU 35 13.688 -23.469 -15.772 252 2HG GLU 35 3HG GLU 35 12.615 -24.525 -14.846 253 H ILE 36 H ILE 36 14.594 -27.320 -13.146 254 HA ILE 36 HA ILE 36 12.302 -28.799 -14.341 255 HB ILE 36 HB ILE 36 14.667 -29.971 -12.811 256 1HG1 ILE 36 2HG1 ILE 36 13.911 -30.355 -15.743 257 2HG1 ILE 36 3HG1 ILE 36 15.250 -29.362 -15.169 258 1HG2 ILE 36 1HG2 ILE 36 12.550 -31.165 -12.314 259 2HG2 ILE 36 2HG2 ILE 36 12.248 -31.366 -14.055 260 3HG2 ILE 36 3HG2 ILE 36 13.617 -32.174 -13.261 261 1HD1 ILE 36 1HD1 ILE 36 15.057 -32.364 -14.971 262 2HD1 ILE 36 2HD1 ILE 36 16.205 -31.364 -15.877 263 3HD1 ILE 36 3HD1 ILE 36 16.256 -31.367 -14.100 264 H ASP 37 H ASP 37 10.674 -29.118 -12.991 265 HA ASP 37 HA ASP 37 10.768 -28.209 -10.141 266 1HB ASP 37 2HB ASP 37 9.057 -27.151 -11.512 267 2HB ASP 37 3HB ASP 37 8.535 -28.708 -12.155 268 H MET 38 H MET 38 10.907 -29.765 -8.606 269 HA MET 38 HA MET 38 10.111 -32.572 -9.278 270 1HB MET 38 2HB MET 38 12.581 -32.124 -9.531 271 2HB MET 38 3HB MET 38 12.627 -31.692 -7.823 272 1HG MET 38 2HG MET 38 13.414 -33.953 -8.129 273 2HG MET 38 3HG MET 38 11.910 -33.992 -7.231 274 1HE MET 38 1HE MET 38 11.656 -36.560 -7.588 275 2HE MET 38 2HE MET 38 11.801 -37.363 -9.169 276 3HE MET 38 3HE MET 38 13.209 -36.549 -8.454 277 H HIS 39 H HIS 39 9.565 -33.907 -7.514 278 HA HIS 39 HA HIS 39 8.767 -32.473 -5.011 279 1HB HIS 39 2HB HIS 39 7.317 -34.613 -6.604 280 2HB HIS 39 3HB HIS 39 6.926 -34.217 -4.936 281 HD1 HIS 39 HD1 HIS 39 5.450 -32.110 -4.506 282 HD2 HIS 39 HD2 HIS 39 6.780 -32.601 -8.471 283 HE1 HIS 39 HE1 HIS 39 4.141 -30.424 -5.918 284 H CYS 40 H CYS 40 9.194 -33.378 -3.128 285 HA CYS 40 HA CYS 40 11.260 -35.191 -2.655 286 1HB CYS 40 2HB CYS 40 10.456 -33.513 -1.075 287 2HB CYS 40 3HB CYS 40 8.876 -34.297 -0.992 288 H ASP 41 H ASP 41 11.372 -37.333 -3.021 289 HA ASP 41 HA ASP 41 9.117 -38.986 -3.662 290 1HB ASP 41 2HB ASP 41 11.488 -39.242 -4.470 291 2HB ASP 41 3HB ASP 41 11.934 -39.815 -2.862 292 H TYR 42 H TYR 42 10.168 -37.929 -0.626 293 HA TYR 42 HA TYR 42 9.315 -40.318 0.887 294 1HB TYR 42 2HB TYR 42 10.665 -37.742 1.702 295 2HB TYR 42 3HB TYR 42 10.362 -39.109 2.733 296 HD1 TYR 42 HD1 TYR 42 11.664 -41.237 2.375 297 HD2 TYR 42 HD2 TYR 42 12.545 -37.627 0.149 298 HE1 TYR 42 HE1 TYR 42 13.866 -42.183 1.687 299 HE2 TYR 42 HE2 TYR 42 14.699 -38.613 -0.581 300 HH TYR 42 HH TYR 42 16.114 -40.413 -0.471 301 H CYS 43 H CYS 43 8.494 -36.799 0.691 302 HA CYS 43 HA CYS 43 5.844 -37.439 1.913 303 1HB CYS 43 2HB CYS 43 5.892 -35.567 3.329 304 2HB CYS 43 3HB CYS 43 7.404 -36.444 3.588 305 H GLY 44 H GLY 44 7.292 -35.965 -0.800 306 1HA GLY 44 2HA GLY 44 6.073 -35.282 -2.663 307 2HA GLY 44 3HA GLY 44 4.657 -34.967 -1.675 308 H ASN 45 H ASN 45 7.153 -33.296 -0.137 309 HA ASN 45 HA ASN 45 6.202 -30.730 -0.878 310 1HB ASN 45 2HB ASN 45 7.455 -31.308 1.219 311 2HB ASN 45 3HB ASN 45 8.926 -31.493 0.260 312 1HD2 ASN 45 2HD2 ASN 45 10.001 -29.768 1.407 313 2HD2 ASN 45 1HD2 ASN 45 9.512 -28.103 1.160 314 H HIS 46 H HIS 46 6.847 -29.169 -2.384 315 HA HIS 46 HA HIS 46 8.306 -30.127 -4.735 316 1HB HIS 46 2HB HIS 46 7.606 -27.920 -5.667 317 2HB HIS 46 3HB HIS 46 6.292 -28.937 -5.103 318 HD1 HIS 46 HD1 HIS 46 8.192 -26.753 -2.570 319 HD2 HIS 46 HD2 HIS 46 4.591 -26.929 -4.736 320 HE1 HIS 46 HE1 HIS 46 6.671 -24.950 -1.577 321 H TYR 47 H TYR 47 10.124 -29.124 -5.747 322 HA TYR 47 HA TYR 47 11.727 -27.105 -4.360 323 1HB TYR 47 2HB TYR 47 12.599 -29.990 -4.813 324 2HB TYR 47 3HB TYR 47 13.724 -28.679 -4.560 325 HD1 TYR 47 HD1 TYR 47 13.628 -27.369 -2.330 326 HD2 TYR 47 HD2 TYR 47 11.573 -31.110 -2.952 327 HE1 TYR 47 HE1 TYR 47 13.596 -27.771 0.132 328 HE2 TYR 47 HE2 TYR 47 11.580 -31.527 -0.502 329 HH TYR 47 HH TYR 47 12.256 -30.774 1.557 330 H LEU 48 H LEU 48 13.343 -26.262 -5.802 331 HA LEU 48 HA LEU 48 12.856 -26.933 -8.657 332 1HB LEU 48 2HB LEU 48 13.624 -24.262 -7.412 333 2HB LEU 48 3HB LEU 48 13.456 -24.559 -9.138 334 HG LEU 48 HG LEU 48 11.197 -24.739 -7.094 335 1HD1 LEU 48 1HD1 LEU 48 10.367 -22.703 -8.177 336 2HD1 LEU 48 2HD1 LEU 48 11.985 -22.436 -7.509 337 3HD1 LEU 48 3HD1 LEU 48 11.778 -22.677 -9.259 338 1HD2 LEU 48 1HD2 LEU 48 9.724 -24.834 -9.106 339 2HD2 LEU 48 2HD2 LEU 48 11.165 -25.001 -10.135 340 3HD2 LEU 48 3HD2 LEU 48 10.744 -26.260 -8.949 341 H PHE 49 H PHE 49 14.512 -27.116 -10.082 342 HA PHE 49 HA PHE 49 17.375 -26.915 -9.194 343 1HB PHE 49 2HB PHE 49 16.023 -29.278 -10.587 344 2HB PHE 49 3HB PHE 49 17.745 -29.110 -10.265 345 HD1 PHE 49 HD1 PHE 49 18.657 -29.355 -8.026 346 HD2 PHE 49 HD2 PHE 49 14.435 -29.811 -8.736 347 HE1 PHE 49 HE1 PHE 49 18.373 -30.233 -5.733 348 HE2 PHE 49 HE2 PHE 49 14.158 -30.744 -6.446 349 HZ PHE 49 HZ PHE 49 16.119 -30.952 -4.938 350 H ASN 50 H ASN 50 18.732 -26.190 -10.753 351 HA ASN 50 HA ASN 50 17.630 -25.750 -13.496 352 1HB ASN 50 2HB ASN 50 18.770 -23.605 -13.603 353 2HB ASN 50 3HB ASN 50 17.592 -23.645 -12.321 354 1HD2 ASN 50 2HD2 ASN 50 18.348 -22.744 -10.393 355 2HD2 ASN 50 1HD2 ASN 50 20.049 -22.686 -9.954 356 H ALA 51 H ALA 51 19.388 -25.187 -15.056 357 HA ALA 51 HA ALA 51 20.933 -27.490 -15.488 358 1HB ALA 51 1HB ALA 51 20.244 -25.891 -17.248 359 2HB ALA 51 2HB ALA 51 21.374 -24.682 -16.599 360 3HB ALA 51 3HB ALA 51 21.990 -26.193 -17.302 361 H MET 52 H MET 52 22.044 -24.427 -13.972 362 HA MET 52 HA MET 52 24.809 -25.291 -13.761 363 1HB MET 52 2HB MET 52 23.326 -23.093 -12.260 364 2HB MET 52 3HB MET 52 25.073 -23.337 -12.283 365 1HG MET 52 2HG MET 52 23.334 -22.665 -14.687 366 2HG MET 52 3HG MET 52 24.390 -21.557 -13.821 367 1HE MET 52 1HE MET 52 26.081 -21.971 -17.356 368 2HE MET 52 2HE MET 52 24.340 -22.027 -17.004 369 3HE MET 52 3HE MET 52 25.375 -20.828 -16.192 370 H ASP 53 H ASP 53 21.984 -25.441 -11.514 371 HA ASP 53 HA ASP 53 23.508 -26.356 -9.252 372 1HB ASP 53 2HB ASP 53 21.215 -25.296 -9.330 373 2HB ASP 53 3HB ASP 53 20.576 -26.823 -9.920 374 H ILE 54 H ILE 54 21.686 -28.065 -11.822 375 HA ILE 54 HA ILE 54 22.185 -30.737 -10.875 376 HB ILE 54 HB ILE 54 21.331 -29.550 -13.532 377 1HG1 ILE 54 2HG1 ILE 54 19.826 -31.240 -11.476 378 2HG1 ILE 54 3HG1 ILE 54 19.835 -29.484 -11.433 379 1HG2 ILE 54 1HG2 ILE 54 20.736 -31.864 -14.240 380 2HG2 ILE 54 2HG2 ILE 54 22.470 -31.657 -14.063 381 3HG2 ILE 54 3HG2 ILE 54 21.552 -32.503 -12.795 382 1HD1 ILE 54 1HD1 ILE 54 18.835 -29.388 -13.680 383 2HD1 ILE 54 2HD1 ILE 54 18.681 -31.166 -13.679 384 3HD1 ILE 54 3HD1 ILE 54 17.803 -30.192 -12.490 385 H ALA 55 H ALA 55 24.019 -28.508 -12.965 386 HA ALA 55 HA ALA 55 25.974 -30.450 -13.828 387 1HB ALA 55 1HB ALA 55 25.667 -28.308 -14.984 388 2HB ALA 55 2HB ALA 55 26.222 -27.424 -13.543 389 3HB ALA 55 3HB ALA 55 27.337 -28.486 -14.423 390 H GLU 56 H GLU 56 25.737 -28.402 -10.901 391 HA GLU 56 HA GLU 56 28.353 -29.205 -9.861 392 1HB GLU 56 2HB GLU 56 25.950 -27.812 -8.620 393 2HB GLU 56 3HB GLU 56 27.385 -28.276 -7.695 394 1HG GLU 56 2HG GLU 56 28.824 -26.954 -9.208 395 2HG GLU 56 3HG GLU 56 27.418 -26.475 -10.155 396 H ILE 57 H ILE 57 24.977 -30.366 -9.377 397 HA ILE 57 HA ILE 57 25.546 -32.349 -7.387 398 HB ILE 57 HB ILE 57 23.427 -32.062 -9.534 399 1HG1 ILE 57 2HG1 ILE 57 23.151 -32.014 -6.500 400 2HG1 ILE 57 3HG1 ILE 57 23.549 -30.574 -7.425 401 1HG2 ILE 57 1HG2 ILE 57 22.144 -33.925 -8.497 402 2HG2 ILE 57 2HG2 ILE 57 23.628 -34.493 -9.231 403 3HG2 ILE 57 3HG2 ILE 57 23.535 -34.300 -7.465 404 1HD1 ILE 57 1HD1 ILE 57 21.442 -30.761 -8.702 405 2HD1 ILE 57 2HD1 ILE 57 20.985 -32.187 -7.742 406 3HD1 ILE 57 3HD1 ILE 57 21.171 -30.613 -6.958 407 H ARG 58 H ARG 58 25.716 -32.500 -10.937 408 HA ARG 58 HA ARG 58 26.567 -35.252 -11.128 409 1HB ARG 58 2HB ARG 58 26.557 -32.861 -12.997 410 2HB ARG 58 3HB ARG 58 27.305 -34.371 -13.492 411 1HG ARG 58 2HG ARG 58 24.416 -34.191 -12.525 412 2HG ARG 58 3HG ARG 58 24.908 -34.084 -14.221 413 1HD ARG 58 2HD ARG 58 25.953 -36.321 -14.083 414 2HD ARG 58 3HD ARG 58 25.468 -36.470 -12.397 415 HE ARG 58 HE ARG 58 23.629 -36.378 -14.764 416 1HH1 ARG 58 1HH1 ARG 58 23.981 -37.337 -11.339 417 2HH1 ARG 58 2HH1 ARG 58 22.477 -38.243 -11.472 418 1HH2 ARG 58 1HH2 ARG 58 21.862 -37.429 -14.715 419 2HH2 ARG 58 2HH2 ARG 58 21.287 -38.271 -13.260 420 H ASN 59 H ASN 59 28.345 -32.645 -9.994 421 HA ASN 59 HA ASN 59 30.909 -34.124 -10.450 422 1HB ASN 59 2HB ASN 59 30.331 -31.138 -10.639 423 2HB ASN 59 3HB ASN 59 31.959 -31.792 -10.491 424 1HD2 ASN 59 2HD2 ASN 59 29.291 -31.302 -12.702 425 2HD2 ASN 59 1HD2 ASN 59 30.138 -31.967 -14.100 426 H ASN 60 H ASN 60 28.790 -33.509 -8.082 427 HA ASN 60 HA ASN 60 30.895 -33.652 -5.989 428 1HB ASN 60 2HB ASN 60 30.273 -31.228 -6.405 429 2HB ASN 60 3HB ASN 60 28.630 -31.616 -5.907 430 1HD2 ASN 60 2HD2 ASN 60 28.309 -30.857 -3.833 431 2HD2 ASN 60 1HD2 ASN 60 29.513 -30.949 -2.557 432 H ALA 61 H ALA 61 27.640 -34.537 -6.992 433 HA ALA 61 HA ALA 61 27.335 -36.071 -4.440 434 1HB ALA 61 1HB ALA 61 24.975 -35.427 -4.390 435 2HB ALA 61 2HB ALA 61 26.011 -33.993 -4.359 436 3HB ALA 61 3HB ALA 61 25.191 -34.454 -5.864 437 H SER 62 H SER 62 27.321 -36.291 -7.854 438 HA SER 62 HA SER 62 25.611 -38.707 -8.008 439 1HB SER 62 2HB SER 62 27.255 -37.263 -10.111 440 2HB SER 62 3HB SER 62 26.226 -38.681 -10.401 441 HG SER 62 HG SER 62 25.320 -36.255 -9.210 Start of MODEL 13 1 1H MET 1 H1 MET 1 -4.234 -14.717 18.002 2 2H MET 1 H2 MET 1 -5.335 -13.601 17.521 3 3H MET 1 H3 MET 1 -5.596 -15.192 17.231 4 HA MET 1 HA MET 1 -4.926 -14.138 15.196 5 1HB MET 1 2HB MET 1 -2.502 -13.283 16.841 6 2HB MET 1 3HB MET 1 -2.509 -13.335 15.079 7 1HG MET 1 2HG MET 1 -2.947 -11.101 15.708 8 2HG MET 1 3HG MET 1 -4.420 -11.766 15.014 9 1HE MET 1 1HE MET 1 -5.793 -9.691 15.874 10 2HE MET 1 2HE MET 1 -5.750 -9.099 17.550 11 3HE MET 1 3HE MET 1 -4.291 -9.006 16.539 12 H ASP 2 H ASP 2 -4.112 -15.509 13.677 13 HA ASP 2 HA ASP 2 -2.283 -17.698 14.498 14 1HB ASP 2 2HB ASP 2 -3.716 -19.397 13.718 15 2HB ASP 2 3HB ASP 2 -4.695 -18.396 14.774 16 H VAL 3 H VAL 3 -2.055 -15.269 12.718 17 HA VAL 3 HA VAL 3 -1.850 -16.129 9.985 18 HB VAL 3 HB VAL 3 -0.511 -14.102 9.613 19 1HG1 VAL 3 1HG1 VAL 3 -2.266 -12.495 10.116 20 2HG1 VAL 3 2HG1 VAL 3 -2.976 -14.027 9.583 21 3HG1 VAL 3 3HG1 VAL 3 -2.990 -13.594 11.307 22 1HG2 VAL 3 1HG2 VAL 3 -0.795 -13.564 12.604 23 2HG2 VAL 3 2HG2 VAL 3 0.722 -13.941 11.759 24 3HG2 VAL 3 3HG2 VAL 3 -0.153 -12.452 11.382 25 H GLU 4 H GLU 4 -0.078 -16.586 8.683 26 HA GLU 4 HA GLU 4 2.529 -17.257 9.897 27 1HB GLU 4 2HB GLU 4 0.878 -19.213 10.135 28 2HB GLU 4 3HB GLU 4 0.988 -19.405 8.384 29 1HG GLU 4 2HG GLU 4 3.451 -19.737 8.606 30 2HG GLU 4 3HG GLU 4 3.337 -19.457 10.342 31 H PHE 5 H PHE 5 2.100 -15.168 8.302 32 HA PHE 5 HA PHE 5 2.234 -15.551 5.524 33 1HB PHE 5 2HB PHE 5 2.693 -13.115 5.455 34 2HB PHE 5 3HB PHE 5 1.389 -13.523 6.545 35 HD1 PHE 5 HD1 PHE 5 4.996 -12.524 6.414 36 HD2 PHE 5 HD2 PHE 5 1.488 -12.972 8.887 37 HE1 PHE 5 HE1 PHE 5 6.143 -11.333 8.263 38 HE2 PHE 5 HE2 PHE 5 2.641 -11.781 10.734 39 HZ PHE 5 HZ PHE 5 4.971 -10.963 10.427 40 H LYS 6 H LYS 6 4.469 -16.822 7.067 41 HA LYS 6 HA LYS 6 6.892 -15.858 5.676 42 1HB LYS 6 2HB LYS 6 8.063 -17.623 6.904 43 2HB LYS 6 3HB LYS 6 7.068 -16.641 7.988 44 1HG LYS 6 2HG LYS 6 5.392 -18.372 8.158 45 2HG LYS 6 3HG LYS 6 6.171 -19.345 6.896 46 1HD LYS 6 2HD LYS 6 8.105 -19.770 8.323 47 2HD LYS 6 3HD LYS 6 7.523 -18.605 9.522 48 1HE LYS 6 2HE LYS 6 7.009 -20.780 10.378 49 2HE LYS 6 3HE LYS 6 5.504 -19.997 9.902 50 1HZ LYS 6 1HZ LYS 6 6.881 -22.230 8.543 51 2HZ LYS 6 2HZ LYS 6 5.312 -22.119 9.050 52 3HZ LYS 6 3HZ LYS 6 5.786 -21.329 7.726 53 H CYS 7 H CYS 7 4.503 -17.422 4.736 54 HA CYS 7 HA CYS 7 3.800 -19.050 3.322 55 1HB CYS 7 2HB CYS 7 4.230 -16.930 2.135 56 2HB CYS 7 3HB CYS 7 5.722 -17.635 1.488 57 H THR 8 H THR 8 4.482 -20.843 4.391 58 HA THR 8 HA THR 8 6.895 -22.252 4.130 59 HB THR 8 HB THR 8 4.157 -23.484 4.579 60 HG1 THR 8 1HG THR 8 4.202 -22.763 6.600 61 1HG2 THR 8 1HG2 THR 8 6.914 -24.099 5.738 62 2HG2 THR 8 2HG2 THR 8 5.392 -24.862 6.257 63 3HG2 THR 8 3HG2 THR 8 5.987 -25.122 4.615 64 H CYS 9 H CYS 9 4.172 -22.158 1.886 65 HA CYS 9 HA CYS 9 5.029 -24.546 0.417 66 1HB CYS 9 2HB CYS 9 2.978 -24.277 -0.784 67 2HB CYS 9 3HB CYS 9 2.679 -24.186 0.947 68 H SER 10 H SER 10 3.983 -23.177 -2.110 69 HA SER 10 HA SER 10 6.338 -21.549 -2.917 70 1HB SER 10 2HB SER 10 5.437 -24.098 -4.331 71 2HB SER 10 3HB SER 10 6.673 -22.979 -4.924 72 HG SER 10 HG SER 10 7.581 -24.785 -3.841 73 H ARG 11 H ARG 11 6.192 -20.634 -5.035 74 HA ARG 11 HA ARG 11 3.894 -19.090 -5.484 75 1HB ARG 11 2HB ARG 11 4.941 -18.402 -7.517 76 2HB ARG 11 3HB ARG 11 6.181 -18.626 -6.276 77 1HG ARG 11 2HG ARG 11 6.840 -20.785 -7.348 78 2HG ARG 11 3HG ARG 11 5.618 -20.504 -8.599 79 1HD ARG 11 2HD ARG 11 7.709 -19.837 -9.503 80 2HD ARG 11 3HD ARG 11 6.744 -18.380 -9.219 81 HE ARG 11 HE ARG 11 8.487 -18.986 -6.973 82 1HH1 ARG 11 1HH2 ARG 11 8.603 -17.552 -10.168 83 2HH1 ARG 11 2HH2 ARG 11 10.004 -16.591 -9.784 84 1HH2 ARG 11 1HH1 ARG 11 10.273 -17.729 -6.551 85 2HH2 ARG 11 2HH1 ARG 11 10.921 -16.698 -7.792 86 H GLU 12 H GLU 12 4.707 -22.124 -6.858 87 HA GLU 12 HA GLU 12 2.902 -22.349 -9.007 88 1HB GLU 12 2HB GLU 12 4.779 -23.905 -8.373 89 2HB GLU 12 3HB GLU 12 3.721 -24.621 -7.154 90 1HG GLU 12 2HG GLU 12 2.123 -25.295 -8.928 91 2HG GLU 12 3HG GLU 12 3.121 -24.498 -10.147 92 H ARG 13 H ARG 13 2.201 -22.918 -5.534 93 HA ARG 13 HA ARG 13 -0.516 -23.910 -6.007 94 1HB ARG 13 2HB ARG 13 1.003 -22.943 -3.561 95 2HB ARG 13 3HB ARG 13 -0.750 -23.151 -3.505 96 1HG ARG 13 2HG ARG 13 -0.558 -25.482 -4.259 97 2HG ARG 13 3HG ARG 13 1.206 -25.331 -4.344 98 1HD ARG 13 2HD ARG 13 1.332 -24.979 -1.925 99 2HD ARG 13 3HD ARG 13 -0.421 -24.882 -1.806 100 HE ARG 13 HE ARG 13 -0.593 -27.170 -1.831 101 1HH1 ARG 13 2HH1 ARG 13 2.689 -26.475 -2.872 102 2HH1 ARG 13 1HH1 ARG 13 3.155 -28.150 -2.784 103 1HH2 ARG 13 1HH2 ARG 13 0.077 -29.272 -1.755 104 2HH2 ARG 13 2HH2 ARG 13 1.714 -29.683 -2.174 105 H CYS 14 H CYS 14 0.831 -20.676 -5.342 106 HA CYS 14 HA CYS 14 -1.736 -19.326 -5.370 107 1HB CYS 14 2HB CYS 14 0.461 -18.438 -4.451 108 2HB CYS 14 3HB CYS 14 0.985 -18.166 -6.121 109 HG CYS 14 HG CYS 14 0.152 -15.886 -5.028 110 H ALA 15 H ALA 15 0.680 -20.045 -7.893 111 HA ALA 15 HA ALA 15 -0.557 -18.724 -10.080 112 1HB ALA 15 1HB ALA 15 1.801 -19.604 -9.971 113 2HB ALA 15 2HB ALA 15 1.153 -21.246 -10.150 114 3HB ALA 15 3HB ALA 15 0.927 -20.056 -11.441 115 H ASP 16 H ASP 16 -0.965 -22.112 -8.903 116 HA ASP 16 HA ASP 16 -2.727 -23.015 -10.946 117 1HB ASP 16 2HB ASP 16 -1.544 -24.452 -9.305 118 2HB ASP 16 3HB ASP 16 -2.587 -23.845 -8.022 119 H ALA 17 H ALA 17 -3.389 -21.264 -7.908 120 HA ALA 17 HA ALA 17 -6.270 -21.362 -8.149 121 1HB ALA 17 1HB ALA 17 -6.227 -19.697 -6.342 122 2HB ALA 17 2HB ALA 17 -5.083 -21.007 -5.994 123 3HB ALA 17 3HB ALA 17 -4.489 -19.437 -6.581 124 H LEU 18 H LEU 18 -3.802 -19.109 -9.421 125 HA LEU 18 HA LEU 18 -5.694 -17.076 -10.277 126 1HB LEU 18 2HB LEU 18 -3.565 -16.295 -9.750 127 2HB LEU 18 3HB LEU 18 -2.754 -17.698 -10.414 128 HG LEU 18 HG LEU 18 -3.141 -16.950 -12.680 129 1HD1 LEU 18 1HD1 LEU 18 -3.822 -14.609 -13.146 130 2HD1 LEU 18 2HD1 LEU 18 -5.152 -15.471 -12.372 131 3HD1 LEU 18 3HD1 LEU 18 -4.160 -14.361 -11.418 132 1HD2 LEU 18 1HD2 LEU 18 -1.783 -14.901 -10.891 133 2HD2 LEU 18 2HD2 LEU 18 -1.061 -16.399 -11.523 134 3HD2 LEU 18 3HD2 LEU 18 -1.507 -15.097 -12.636 135 H LYS 19 H LYS 19 -3.833 -19.715 -12.008 136 HA LYS 19 HA LYS 19 -4.769 -19.001 -14.554 137 1HB LYS 19 2HB LYS 19 -3.515 -20.800 -15.254 138 2HB LYS 19 3HB LYS 19 -2.727 -20.249 -13.816 139 1HG LYS 19 2HG LYS 19 -2.620 -22.451 -13.359 140 2HG LYS 19 3HG LYS 19 -4.211 -22.169 -12.662 141 1HD LYS 19 2HD LYS 19 -5.300 -23.051 -14.680 142 2HD LYS 19 3HD LYS 19 -3.735 -23.118 -15.518 143 1HE LYS 19 2HE LYS 19 -2.914 -24.714 -13.771 144 2HE LYS 19 3HE LYS 19 -4.533 -24.747 -13.061 145 1HZ LYS 19 1HZ LYS 19 -4.011 -26.559 -14.700 146 2HZ LYS 19 2HZ LYS 19 -5.367 -25.708 -15.103 147 3HZ LYS 19 3HZ LYS 19 -3.940 -25.453 -15.885 148 H THR 20 H THR 20 -6.516 -20.814 -12.152 149 HA THR 20 HA THR 20 -8.322 -22.070 -14.115 150 HB THR 20 HB THR 20 -9.641 -22.719 -12.085 151 HG1 THR 20 1HG THR 20 -8.618 -22.403 -10.091 152 1HG2 THR 20 1HG2 THR 20 -7.985 -24.345 -11.247 153 2HG2 THR 20 2HG2 THR 20 -7.971 -24.241 -13.015 154 3HG2 THR 20 3HG2 THR 20 -6.685 -23.459 -12.074 155 H LEU 21 H LEU 21 -8.123 -18.901 -12.832 156 HA LEU 21 HA LEU 21 -10.921 -18.265 -12.630 157 1HB LEU 21 2HB LEU 21 -8.456 -16.550 -13.171 158 2HB LEU 21 3HB LEU 21 -10.031 -15.906 -12.778 159 HG LEU 21 HG LEU 21 -8.386 -17.668 -10.920 160 1HD1 LEU 21 1HD1 LEU 21 -7.415 -15.430 -11.275 161 2HD1 LEU 21 2HD1 LEU 21 -8.967 -14.681 -10.835 162 3HD1 LEU 21 3HD1 LEU 21 -8.046 -15.614 -9.631 163 1HD2 LEU 21 1HD2 LEU 21 -11.000 -16.166 -10.455 164 2HD2 LEU 21 2HD2 LEU 21 -10.777 -17.932 -10.442 165 3HD2 LEU 21 3HD2 LEU 21 -10.021 -16.945 -9.192 166 HA PRO 22 HA PRO 22 -12.452 -17.762 -16.717 167 1HB PRO 22 2HB PRO 22 -12.858 -14.823 -16.114 168 2HB PRO 22 3HB PRO 22 -13.974 -15.973 -16.918 169 1HG PRO 22 2HG PRO 22 -14.317 -15.380 -14.305 170 2HG PRO 22 3HG PRO 22 -14.425 -17.089 -14.843 171 1HD PRO 22 2HD PRO 22 -12.107 -15.671 -13.525 172 2HD PRO 22 3HD PRO 22 -12.769 -17.301 -13.197 173 H ASP 23 H ASP 23 -11.408 -17.715 -18.591 174 HA ASP 23 HA ASP 23 -8.830 -16.720 -19.008 175 1HB ASP 23 2HB ASP 23 -10.087 -18.507 -20.274 176 2HB ASP 23 3HB ASP 23 -10.959 -17.238 -21.125 177 H GLU 24 H GLU 24 -11.917 -15.195 -19.825 178 HA GLU 24 HA GLU 24 -10.933 -12.947 -21.306 179 1HB GLU 24 2HB GLU 24 -13.436 -13.280 -19.599 180 2HB GLU 24 3HB GLU 24 -13.146 -11.917 -20.676 181 1HG GLU 24 2HG GLU 24 -13.304 -14.822 -21.602 182 2HG GLU 24 3HG GLU 24 -14.652 -13.699 -21.597 183 H GLU 25 H GLU 25 -11.478 -13.340 -17.761 184 HA GLU 25 HA GLU 25 -10.915 -10.595 -17.091 185 1HB GLU 25 2HB GLU 25 -12.169 -12.303 -15.690 186 2HB GLU 25 3HB GLU 25 -10.630 -13.104 -15.384 187 1HG GLU 25 2HG GLU 25 -11.073 -11.786 -13.500 188 2HG GLU 25 3HG GLU 25 -9.790 -10.942 -14.353 189 H VAL 26 H VAL 26 -8.909 -13.567 -17.147 190 HA VAL 26 HA VAL 26 -6.455 -12.365 -16.247 191 HB VAL 26 HB VAL 26 -6.948 -14.813 -17.995 192 1HG1 VAL 26 1HG1 VAL 26 -4.623 -14.081 -18.306 193 2HG1 VAL 26 2HG1 VAL 26 -4.408 -13.949 -16.547 194 3HG1 VAL 26 3HG1 VAL 26 -4.673 -15.532 -17.306 195 1HG2 VAL 26 1HG2 VAL 26 -6.536 -16.071 -15.907 196 2HG2 VAL 26 2HG2 VAL 26 -6.351 -14.548 -15.011 197 3HG2 VAL 26 3HG2 VAL 26 -7.918 -14.993 -15.715 198 H ASP 27 H ASP 27 -7.737 -12.932 -19.568 199 HA ASP 27 HA ASP 27 -5.558 -11.790 -20.982 200 1HB ASP 27 2HB ASP 27 -7.312 -13.205 -21.984 201 2HB ASP 27 3HB ASP 27 -8.501 -11.923 -21.739 202 H SER 28 H SER 28 -8.557 -10.167 -19.735 203 HA SER 28 HA SER 28 -8.029 -7.616 -20.870 204 1HB SER 28 2HB SER 28 -9.542 -8.434 -18.367 205 2HB SER 28 3HB SER 28 -9.433 -6.754 -18.915 206 HG SER 28 HG SER 28 -10.416 -7.333 -20.864 207 H ILE 29 H ILE 29 -6.928 -8.906 -17.658 208 HA ILE 29 HA ILE 29 -5.676 -6.417 -16.943 209 HB ILE 29 HB ILE 29 -5.046 -9.188 -15.867 210 1HG1 ILE 29 2HG1 ILE 29 -6.894 -7.071 -14.661 211 2HG1 ILE 29 3HG1 ILE 29 -7.491 -8.415 -15.616 212 1HG2 ILE 29 1HG2 ILE 29 -3.273 -7.557 -15.349 213 2HG2 ILE 29 2HG2 ILE 29 -4.474 -6.356 -14.837 214 3HG2 ILE 29 3HG2 ILE 29 -4.204 -7.818 -13.884 215 1HD1 ILE 29 1HD1 ILE 29 -7.734 -9.006 -13.316 216 2HD1 ILE 29 2HD1 ILE 29 -6.463 -10.030 -14.010 217 3HD1 ILE 29 3HD1 ILE 29 -6.038 -8.656 -12.960 218 H LEU 30 H LEU 30 -4.396 -9.429 -18.465 219 HA LEU 30 HA LEU 30 -1.684 -8.507 -18.658 220 1HB LEU 30 2HB LEU 30 -3.243 -10.513 -20.330 221 2HB LEU 30 3HB LEU 30 -1.505 -10.254 -20.465 222 HG LEU 30 HG LEU 30 -2.921 -11.221 -17.943 223 1HD1 LEU 30 1HD1 LEU 30 -1.186 -12.705 -19.958 224 2HD1 LEU 30 2HD1 LEU 30 -1.889 -13.383 -18.470 225 3HD1 LEU 30 3HD1 LEU 30 -2.947 -12.864 -19.787 226 1HD2 LEU 30 1HD2 LEU 30 -0.633 -11.776 -17.159 227 2HD2 LEU 30 2HD2 LEU 30 0.038 -10.920 -18.564 228 3HD2 LEU 30 3HD2 LEU 30 -0.889 -10.044 -17.321 229 H ALA 31 H ALA 31 -4.472 -7.964 -20.821 230 HA ALA 31 HA ALA 31 -2.933 -6.694 -22.912 231 1HB ALA 31 1HB ALA 31 -5.161 -6.066 -23.766 232 2HB ALA 31 2HB ALA 31 -5.120 -7.771 -23.285 233 3HB ALA 31 3HB ALA 31 -5.903 -6.569 -22.233 234 H GLU 32 H GLU 32 -3.906 -5.517 -19.802 235 HA GLU 32 HA GLU 32 -3.669 -2.650 -20.663 236 1HB GLU 32 2HB GLU 32 -5.051 -3.984 -18.313 237 2HB GLU 32 3HB GLU 32 -4.817 -2.246 -18.427 238 1HG GLU 32 2HG GLU 32 -6.310 -3.850 -20.548 239 2HG GLU 32 3HG GLU 32 -7.082 -3.113 -19.152 240 H ASP 33 H ASP 33 -2.226 -5.049 -18.491 241 HA ASP 33 HA ASP 33 -0.166 -3.014 -17.709 242 1HB ASP 33 2HB ASP 33 -1.988 -3.427 -15.957 243 2HB ASP 33 3HB ASP 33 -1.355 -5.060 -15.809 244 H GLY 34 H GLY 34 -0.736 -6.243 -18.828 245 1HA GLY 34 2HA GLY 34 0.774 -7.808 -19.596 246 2HA GLY 34 3HA GLY 34 2.097 -6.761 -19.099 247 H GLU 35 H GLU 35 0.504 -7.033 -16.269 248 HA GLU 35 HA GLU 35 1.448 -9.727 -15.493 249 1HB GLU 35 2HB GLU 35 2.263 -7.326 -13.834 250 2HB GLU 35 3HB GLU 35 2.789 -8.988 -13.681 251 1HG GLU 35 2HG GLU 35 3.959 -8.764 -15.912 252 2HG GLU 35 3HG GLU 35 3.566 -7.047 -15.888 253 H ILE 36 H ILE 36 0.766 -10.375 -13.379 254 HA ILE 36 HA ILE 36 -1.619 -9.002 -12.220 255 HB ILE 36 HB ILE 36 -1.351 -11.944 -12.980 256 1HG1 ILE 36 2HG1 ILE 36 -3.478 -9.956 -13.877 257 2HG1 ILE 36 3HG1 ILE 36 -2.028 -10.272 -14.826 258 1HG2 ILE 36 1HG2 ILE 36 -2.475 -11.797 -10.814 259 2HG2 ILE 36 2HG2 ILE 36 -3.545 -10.504 -11.411 260 3HG2 ILE 36 3HG2 ILE 36 -3.678 -12.155 -12.036 261 1HD1 ILE 36 1HD1 ILE 36 -4.180 -12.300 -14.183 262 2HD1 ILE 36 2HD1 ILE 36 -3.792 -11.563 -15.742 263 3HD1 ILE 36 3HD1 ILE 36 -2.623 -12.656 -14.977 264 H ASP 37 H ASP 37 -1.631 -9.021 -10.018 265 HA ASP 37 HA ASP 37 0.417 -10.616 -8.525 266 1HB ASP 37 2HB ASP 37 1.179 -8.323 -8.652 267 2HB ASP 37 3HB ASP 37 -0.400 -7.717 -8.150 268 H MET 38 H MET 38 -0.433 -11.926 -7.082 269 HA MET 38 HA MET 38 -3.041 -11.334 -5.774 270 1HB MET 38 2HB MET 38 -2.348 -13.880 -7.301 271 2HB MET 38 3HB MET 38 -3.663 -13.762 -6.122 272 1HG MET 38 2HG MET 38 -4.634 -11.868 -7.430 273 2HG MET 38 3HG MET 38 -3.409 -12.138 -8.672 274 1HE MET 38 1HE MET 38 -6.638 -12.046 -9.090 275 2HE MET 38 2HE MET 38 -5.401 -12.136 -10.362 276 3HE MET 38 3HE MET 38 -6.744 -13.295 -10.348 277 H HIS 39 H HIS 39 -3.464 -12.528 -3.850 278 HA HIS 39 HA HIS 39 -0.988 -13.169 -2.358 279 1HB HIS 39 2HB HIS 39 -2.441 -13.002 -0.368 280 2HB HIS 39 3HB HIS 39 -2.329 -11.523 -1.309 281 HD1 HIS 39 HD1 HIS 39 -4.620 -10.482 -2.089 282 HD2 HIS 39 HD2 HIS 39 -4.858 -14.408 -0.586 283 HE1 HIS 39 HE1 HIS 39 -7.103 -11.017 -1.880 284 H CYS 40 H CYS 40 -0.586 -15.040 -1.404 285 HA CYS 40 HA CYS 40 -1.390 -17.510 -2.429 286 1HB CYS 40 2HB CYS 40 0.738 -16.968 -1.316 287 2HB CYS 40 3HB CYS 40 -0.098 -16.706 0.215 288 H ASP 41 H ASP 41 -3.253 -18.618 -2.179 289 HA ASP 41 HA ASP 41 -5.324 -17.887 -0.340 290 1HB ASP 41 2HB ASP 41 -5.594 -18.995 -2.585 291 2HB ASP 41 3HB ASP 41 -4.980 -20.490 -1.878 292 H TYR 42 H TYR 42 -2.509 -19.751 0.185 293 HA TYR 42 HA TYR 42 -3.607 -21.307 2.461 294 1HB TYR 42 2HB TYR 42 -0.980 -21.386 0.926 295 2HB TYR 42 3HB TYR 42 -1.374 -22.401 2.281 296 HD1 TYR 42 HD1 TYR 42 -3.257 -24.089 2.092 297 HD2 TYR 42 HD2 TYR 42 -1.832 -21.837 -1.309 298 HE1 TYR 42 HE1 TYR 42 -4.396 -25.687 0.550 299 HE2 TYR 42 HE2 TYR 42 -3.008 -23.414 -2.839 300 HH TYR 42 HH TYR 42 -4.300 -25.297 -3.012 301 H CYS 43 H CYS 43 -1.116 -18.858 1.732 302 HA CYS 43 HA CYS 43 -0.567 -18.542 4.660 303 1HB CYS 43 2HB CYS 43 1.386 -17.991 2.417 304 2HB CYS 43 3HB CYS 43 1.713 -18.205 4.138 305 H GLY 44 H GLY 44 -1.752 -16.718 1.978 306 1HA GLY 44 2HA GLY 44 -2.470 -14.531 1.935 307 2HA GLY 44 3HA GLY 44 -1.785 -14.260 3.535 308 H ASN 45 H ASN 45 0.837 -15.378 1.954 309 HA ASN 45 HA ASN 45 2.105 -12.821 1.609 310 1HB ASN 45 2HB ASN 45 3.247 -14.908 2.287 311 2HB ASN 45 3HB ASN 45 2.867 -15.632 0.715 312 1HD2 ASN 45 2HD2 ASN 45 4.941 -15.916 -0.088 313 2HD2 ASN 45 1HD2 ASN 45 6.050 -14.577 -0.346 314 H HIS 46 H HIS 46 2.885 -11.804 -0.361 315 HA HIS 46 HA HIS 46 1.030 -12.062 -2.623 316 1HB HIS 46 2HB HIS 46 2.278 -10.061 -3.444 317 2HB HIS 46 3HB HIS 46 1.533 -9.870 -1.865 318 HD1 HIS 46 HD1 HIS 46 3.132 -9.078 0.067 319 HD2 HIS 46 HD2 HIS 46 5.088 -10.503 -3.376 320 HE1 HIS 46 HE1 HIS 46 5.615 -8.633 0.422 321 H TYR 47 H TYR 47 1.572 -12.402 -4.809 322 HA TYR 47 HA TYR 47 4.239 -13.310 -5.615 323 1HB TYR 47 2HB TYR 47 1.734 -15.047 -5.698 324 2HB TYR 47 3HB TYR 47 3.099 -15.290 -6.768 325 HD1 TYR 47 HD1 TYR 47 1.769 -16.048 -3.500 326 HD2 TYR 47 HD2 TYR 47 5.404 -15.763 -5.809 327 HE1 TYR 47 HE1 TYR 47 2.904 -17.587 -1.907 328 HE2 TYR 47 HE2 TYR 47 6.550 -17.267 -4.182 329 HH TYR 47 HH TYR 47 4.866 -18.629 -1.342 330 H LEU 48 H LEU 48 4.598 -12.627 -7.653 331 HA LEU 48 HA LEU 48 2.295 -11.613 -9.202 332 1HB LEU 48 2HB LEU 48 3.596 -9.817 -10.063 333 2HB LEU 48 3HB LEU 48 3.655 -9.829 -8.315 334 HG LEU 48 HG LEU 48 5.968 -11.129 -8.701 335 1HD1 LEU 48 1HD1 LEU 48 5.703 -9.443 -11.240 336 2HD1 LEU 48 2HD1 LEU 48 7.180 -10.241 -10.660 337 3HD1 LEU 48 3HD1 LEU 48 5.812 -11.211 -11.201 338 1HD2 LEU 48 1HD2 LEU 48 5.621 -8.132 -9.121 339 2HD2 LEU 48 2HD2 LEU 48 5.714 -8.969 -7.556 340 3HD2 LEU 48 3HD2 LEU 48 7.121 -8.953 -8.628 341 H PHE 49 H PHE 49 2.151 -11.978 -11.371 342 HA PHE 49 HA PHE 49 4.078 -13.843 -12.706 343 1HB PHE 49 2HB PHE 49 1.051 -14.158 -12.633 344 2HB PHE 49 3HB PHE 49 2.191 -15.190 -13.479 345 HD1 PHE 49 HD1 PHE 49 3.792 -16.651 -12.146 346 HD2 PHE 49 HD2 PHE 49 0.602 -14.435 -10.274 347 HE1 PHE 49 HE1 PHE 49 4.023 -18.040 -10.097 348 HE2 PHE 49 HE2 PHE 49 0.816 -15.840 -8.239 349 HZ PHE 49 HZ PHE 49 2.536 -17.633 -8.143 350 H ASN 50 H ASN 50 4.067 -13.720 -14.979 351 HA ASN 50 HA ASN 50 2.589 -11.379 -16.138 352 1HB ASN 50 2HB ASN 50 4.532 -10.820 -17.453 353 2HB ASN 50 3HB ASN 50 4.926 -10.851 -15.754 354 1HD2 ASN 50 2HD2 ASN 50 7.130 -11.288 -15.880 355 2HD2 ASN 50 1HD2 ASN 50 7.757 -12.754 -16.624 356 H ALA 51 H ALA 51 2.847 -11.440 -18.621 357 HA ALA 51 HA ALA 51 1.057 -13.397 -19.564 358 1HB ALA 51 1HB ALA 51 1.632 -12.525 -21.802 359 2HB ALA 51 2HB ALA 51 1.448 -11.204 -20.632 360 3HB ALA 51 3HB ALA 51 3.073 -11.729 -21.133 361 H MET 52 H MET 52 4.648 -13.475 -19.688 362 HA MET 52 HA MET 52 4.768 -15.905 -21.283 363 1HB MET 52 2HB MET 52 6.896 -14.634 -19.522 364 2HB MET 52 3HB MET 52 7.145 -15.927 -20.689 365 1HG MET 52 2HG MET 52 6.243 -13.094 -21.356 366 2HG MET 52 3HG MET 52 7.859 -13.751 -21.535 367 1HE MET 52 1HE MET 52 4.714 -12.843 -23.289 368 2HE MET 52 2HE MET 52 4.426 -14.084 -24.526 369 3HE MET 52 3HE MET 52 4.060 -14.432 -22.828 370 H ASP 53 H ASP 53 4.827 -15.247 -17.731 371 HA ASP 53 HA ASP 53 5.414 -17.937 -16.908 372 1HB ASP 53 2HB ASP 53 3.719 -15.773 -15.577 373 2HB ASP 53 3HB ASP 53 4.217 -17.258 -14.812 374 H ILE 54 H ILE 54 2.316 -16.231 -17.438 375 HA ILE 54 HA ILE 54 0.610 -18.468 -16.875 376 HB ILE 54 HB ILE 54 0.230 -15.797 -18.258 377 1HG1 ILE 54 2HG1 ILE 54 -0.774 -16.898 -15.583 378 2HG1 ILE 54 3HG1 ILE 54 0.717 -15.982 -15.745 379 1HG2 ILE 54 1HG2 ILE 54 -2.219 -16.201 -18.137 380 2HG2 ILE 54 2HG2 ILE 54 -1.432 -17.316 -19.241 381 3HG2 ILE 54 3HG2 ILE 54 -1.912 -17.875 -17.621 382 1HD1 ILE 54 1HD1 ILE 54 -0.979 -14.506 -14.954 383 2HD1 ILE 54 2HD1 ILE 54 -0.542 -14.037 -16.604 384 3HD1 ILE 54 3HD1 ILE 54 -2.066 -14.911 -16.291 385 H ALA 55 H ALA 55 2.081 -17.288 -19.928 386 HA ALA 55 HA ALA 55 0.699 -19.094 -21.664 387 1HB ALA 55 1HB ALA 55 2.531 -18.618 -23.246 388 2HB ALA 55 2HB ALA 55 1.932 -17.135 -22.485 389 3HB ALA 55 3HB ALA 55 3.470 -17.854 -21.949 390 H GLU 56 H GLU 56 3.671 -19.558 -19.693 391 HA GLU 56 HA GLU 56 4.208 -22.224 -20.768 392 1HB GLU 56 2HB GLU 56 5.191 -20.751 -18.291 393 2HB GLU 56 3HB GLU 56 5.630 -22.422 -18.669 394 1HG GLU 56 2HG GLU 56 6.516 -21.691 -20.881 395 2HG GLU 56 3HG GLU 56 6.170 -20.017 -20.461 396 H ILE 57 H ILE 57 2.491 -21.008 -17.848 397 HA ILE 57 HA ILE 57 1.822 -23.542 -16.704 398 HB ILE 57 HB ILE 57 0.555 -20.789 -16.638 399 1HG1 ILE 57 2HG1 ILE 57 1.914 -22.333 -14.393 400 2HG1 ILE 57 3HG1 ILE 57 2.834 -21.360 -15.530 401 1HG2 ILE 57 1HG2 ILE 57 -1.316 -22.323 -16.214 402 2HG2 ILE 57 2HG2 ILE 57 -0.355 -23.188 -14.990 403 3HG2 ILE 57 3HG2 ILE 57 -0.854 -21.507 -14.733 404 1HD1 ILE 57 1HD1 ILE 57 0.659 -20.285 -13.694 405 2HD1 ILE 57 2HD1 ILE 57 2.410 -20.077 -13.515 406 3HD1 ILE 57 3HD1 ILE 57 1.567 -19.333 -14.884 407 H ARG 58 H ARG 58 0.164 -21.619 -19.164 408 HA ARG 58 HA ARG 58 -2.168 -23.216 -19.582 409 1HB ARG 58 2HB ARG 58 -1.596 -20.809 -20.251 410 2HB ARG 58 3HB ARG 58 -0.703 -21.480 -21.611 411 1HG ARG 58 2HG ARG 58 -2.875 -22.501 -22.427 412 2HG ARG 58 3HG ARG 58 -3.689 -21.725 -21.049 413 1HD ARG 58 2HD ARG 58 -2.680 -19.508 -21.899 414 2HD ARG 58 3HD ARG 58 -2.192 -20.385 -23.343 415 HE ARG 58 HE ARG 58 -4.437 -20.554 -24.042 416 1HH1 ARG 58 2HH1 ARG 58 -4.389 -18.975 -20.870 417 2HH1 ARG 58 1HH1 ARG 58 -6.026 -18.360 -21.135 418 1HH2 ARG 58 1HH2 ARG 58 -6.518 -19.637 -24.179 419 2HH2 ARG 58 2HH2 ARG 58 -7.075 -18.671 -22.813 420 H ASN 59 H ASN 59 1.088 -23.827 -20.541 421 HA ASN 59 HA ASN 59 0.226 -26.013 -22.404 422 1HB ASN 59 2HB ASN 59 2.551 -24.053 -22.641 423 2HB ASN 59 3HB ASN 59 2.363 -25.476 -23.658 424 1HD2 ASN 59 2HD2 ASN 59 1.288 -22.202 -23.149 425 2HD2 ASN 59 1HD2 ASN 59 0.202 -22.182 -24.541 426 H ASN 60 H ASN 60 1.490 -25.668 -19.431 427 HA ASN 60 HA ASN 60 2.971 -28.256 -19.607 428 1HB ASN 60 2HB ASN 60 4.549 -26.277 -19.708 429 2HB ASN 60 3HB ASN 60 3.984 -25.804 -18.105 430 1HD2 ASN 60 2HD2 ASN 60 5.502 -28.537 -19.892 431 2HD2 ASN 60 1HD2 ASN 60 6.419 -29.098 -18.502 432 H ALA 61 H ALA 61 0.794 -26.215 -17.778 433 HA ALA 61 HA ALA 61 0.531 -28.365 -15.722 434 1HB ALA 61 1HB ALA 61 0.515 -25.354 -15.258 435 2HB ALA 61 2HB ALA 61 0.255 -26.606 -14.024 436 3HB ALA 61 3HB ALA 61 1.833 -26.462 -14.818 437 H SER 62 H SER 62 -0.965 -27.437 -18.279 438 HA SER 62 HA SER 62 -3.735 -27.588 -17.197 439 1HB SER 62 2HB SER 62 -2.891 -25.670 -19.403 440 2HB SER 62 3HB SER 62 -4.501 -25.846 -18.688 441 HG SER 62 HG SER 62 -2.114 -24.840 -17.508 Start of MODEL 14 1 1H MET 1 H1 MET 1 -10.116 -44.154 14.965 2 2H MET 1 H2 MET 1 -11.458 -43.739 15.817 3 3H MET 1 H3 MET 1 -11.205 -43.117 14.326 4 HA MET 1 HA MET 1 -10.722 -41.458 15.988 5 1HB MET 1 2HB MET 1 -8.587 -43.435 16.913 6 2HB MET 1 3HB MET 1 -8.736 -41.759 17.443 7 1HG MET 1 2HG MET 1 -10.717 -43.999 17.961 8 2HG MET 1 3HG MET 1 -9.659 -43.209 19.120 9 1HE MET 1 1HE MET 1 -13.199 -42.122 20.354 10 2HE MET 1 2HE MET 1 -12.685 -43.689 19.692 11 3HE MET 1 3HE MET 1 -11.628 -42.809 20.821 12 H ASP 2 H ASP 2 -9.153 -39.844 15.575 13 HA ASP 2 HA ASP 2 -6.962 -40.365 13.683 14 1HB ASP 2 2HB ASP 2 -7.729 -38.858 11.995 15 2HB ASP 2 3HB ASP 2 -8.985 -40.055 12.245 16 H VAL 3 H VAL 3 -5.800 -38.249 13.167 17 HA VAL 3 HA VAL 3 -5.965 -36.129 15.196 18 HB VAL 3 HB VAL 3 -4.584 -37.830 16.292 19 1HG1 VAL 3 1HG1 VAL 3 -3.611 -39.001 14.370 20 2HG1 VAL 3 2HG1 VAL 3 -2.640 -37.572 13.962 21 3HG1 VAL 3 3HG1 VAL 3 -2.354 -38.442 15.479 22 1HG2 VAL 3 1HG2 VAL 3 -2.844 -35.484 15.452 23 2HG2 VAL 3 2HG2 VAL 3 -4.120 -35.429 16.693 24 3HG2 VAL 3 3HG2 VAL 3 -2.707 -36.471 16.915 25 H GLU 4 H GLU 4 -4.952 -34.195 14.540 26 HA GLU 4 HA GLU 4 -4.701 -33.846 11.689 27 1HB GLU 4 2HB GLU 4 -4.578 -31.475 12.240 28 2HB GLU 4 3HB GLU 4 -5.879 -32.248 13.128 29 1HG GLU 4 2HG GLU 4 -4.489 -32.308 15.175 30 2HG GLU 4 3HG GLU 4 -3.135 -31.596 14.300 31 H PHE 5 H PHE 5 -2.601 -35.416 12.997 32 HA PHE 5 HA PHE 5 -0.086 -33.946 12.709 33 1HB PHE 5 2HB PHE 5 -0.621 -35.893 14.318 34 2HB PHE 5 3HB PHE 5 -0.449 -36.953 12.926 35 HD1 PHE 5 HD1 PHE 5 1.721 -37.852 12.519 36 HD2 PHE 5 HD2 PHE 5 1.348 -34.183 14.755 37 HE1 PHE 5 HE1 PHE 5 4.161 -37.867 12.950 38 HE2 PHE 5 HE2 PHE 5 3.797 -34.193 15.172 39 HZ PHE 5 HZ PHE 5 5.208 -36.035 14.271 40 H LYS 6 H LYS 6 1.686 -35.123 11.317 41 HA LYS 6 HA LYS 6 0.674 -35.761 8.571 42 1HB LYS 6 2HB LYS 6 3.031 -33.964 9.287 43 2HB LYS 6 3HB LYS 6 2.547 -34.427 7.659 44 1HG LYS 6 2HG LYS 6 0.892 -32.727 9.582 45 2HG LYS 6 3HG LYS 6 1.876 -32.124 8.252 46 1HD LYS 6 2HD LYS 6 0.463 -33.287 6.609 47 2HD LYS 6 3HD LYS 6 -0.528 -33.974 7.912 48 1HE LYS 6 2HE LYS 6 -1.127 -31.691 8.673 49 2HE LYS 6 3HE LYS 6 -0.166 -31.001 7.357 50 1HZ LYS 6 1HZ LYS 6 -1.658 -32.118 5.779 51 2HZ LYS 6 2HZ LYS 6 -2.545 -32.749 6.999 52 3HZ LYS 6 3HZ LYS 6 -2.515 -31.136 6.759 53 H CYS 7 H CYS 7 1.585 -37.434 7.636 54 HA CYS 7 HA CYS 7 2.966 -39.367 9.097 55 1HB CYS 7 2HB CYS 7 1.500 -39.656 7.085 56 2HB CYS 7 3HB CYS 7 2.870 -39.159 6.067 57 H THR 8 H THR 8 5.032 -40.150 9.196 58 HA THR 8 HA THR 8 7.250 -38.437 8.154 59 HB THR 8 HB THR 8 8.488 -38.959 10.155 60 HG1 THR 8 1HG THR 8 6.120 -40.154 11.136 61 1HG2 THR 8 1HG2 THR 8 7.307 -37.591 11.776 62 2HG2 THR 8 2HG2 THR 8 7.109 -36.909 10.152 63 3HG2 THR 8 3HG2 THR 8 5.775 -37.809 10.905 64 H CYS 9 H CYS 9 5.933 -41.537 7.894 65 HA CYS 9 HA CYS 9 8.550 -42.753 7.200 66 1HB CYS 9 2HB CYS 9 7.457 -44.880 7.639 67 2HB CYS 9 3HB CYS 9 7.517 -43.834 9.059 68 H SER 10 H SER 10 5.776 -44.371 6.069 69 HA SER 10 HA SER 10 5.541 -43.112 3.449 70 1HB SER 10 2HB SER 10 7.740 -44.235 3.201 71 2HB SER 10 3HB SER 10 7.023 -45.773 3.705 72 HG SER 10 HG SER 10 7.254 -45.410 1.372 73 H ARG 11 H ARG 11 4.130 -44.290 2.017 74 HA ARG 11 HA ARG 11 1.737 -45.442 3.100 75 1HB ARG 11 2HB ARG 11 2.070 -44.329 0.872 76 2HB ARG 11 3HB ARG 11 2.963 -45.731 0.310 77 1HG ARG 11 2HG ARG 11 1.002 -47.167 0.512 78 2HG ARG 11 3HG ARG 11 0.072 -45.871 1.281 79 1HD ARG 11 2HD ARG 11 0.214 -44.518 -0.767 80 2HD ARG 11 3HD ARG 11 1.216 -45.739 -1.547 81 HE ARG 11 HE ARG 11 -1.698 -45.839 -1.064 82 1HH1 ARG 11 2HH1 ARG 11 1.065 -47.794 -2.153 83 2HH1 ARG 11 1HH1 ARG 11 -0.058 -48.952 -2.878 84 1HH2 ARG 11 1HH2 ARG 11 -2.904 -47.454 -2.032 85 2HH2 ARG 11 2HH2 ARG 11 -2.025 -48.756 -2.854 86 H GLU 12 H GLU 12 4.744 -46.791 2.073 87 HA GLU 12 HA GLU 12 4.163 -49.559 1.842 88 1HB GLU 12 2HB GLU 12 6.283 -48.350 1.225 89 2HB GLU 12 3HB GLU 12 6.708 -48.289 2.936 90 1HG GLU 12 2HG GLU 12 6.724 -50.769 3.028 91 2HG GLU 12 3HG GLU 12 6.211 -50.844 1.340 92 H ARG 13 H ARG 13 4.776 -47.633 4.824 93 HA ARG 13 HA ARG 13 4.810 -49.990 6.574 94 1HB ARG 13 2HB ARG 13 4.351 -47.046 7.249 95 2HB ARG 13 3HB ARG 13 4.494 -48.374 8.398 96 1HG ARG 13 2HG ARG 13 6.794 -48.844 7.147 97 2HG ARG 13 3HG ARG 13 6.633 -47.140 6.674 98 1HD ARG 13 2HD ARG 13 6.338 -46.574 9.119 99 2HD ARG 13 3HD ARG 13 6.601 -48.280 9.505 100 HE ARG 13 HE ARG 13 8.813 -47.448 7.964 101 1HH1 ARG 13 1HH2 ARG 13 7.489 -46.783 11.129 102 2HH1 ARG 13 2HH2 ARG 13 9.040 -46.345 11.798 103 1HH2 ARG 13 1HH1 ARG 13 10.775 -46.899 8.879 104 2HH2 ARG 13 2HH1 ARG 13 10.851 -46.428 10.551 105 H CYS 14 H CYS 14 2.297 -47.746 5.487 106 HA CYS 14 HA CYS 14 0.162 -48.880 7.076 107 1HB CYS 14 2HB CYS 14 0.233 -46.621 5.906 108 2HB CYS 14 3HB CYS 14 -0.081 -47.470 4.383 109 HG CYS 14 HG CYS 14 -2.334 -46.400 5.360 110 H ALA 15 H ALA 15 1.439 -49.573 3.815 111 HA ALA 15 HA ALA 15 -0.407 -51.621 3.055 112 1HB ALA 15 1HB ALA 15 1.279 -50.407 1.575 113 2HB ALA 15 2HB ALA 15 2.539 -51.423 2.282 114 3HB ALA 15 3HB ALA 15 1.226 -52.170 1.365 115 H ASP 16 H ASP 16 2.726 -51.777 4.806 116 HA ASP 16 HA ASP 16 2.879 -54.589 5.133 117 1HB ASP 16 2HB ASP 16 4.711 -52.922 5.501 118 2HB ASP 16 3HB ASP 16 3.920 -52.408 6.988 119 H ALA 17 H ALA 17 1.337 -52.083 7.168 120 HA ALA 17 HA ALA 17 0.382 -53.849 9.220 121 1HB ALA 17 1HB ALA 17 0.702 -51.401 9.500 122 2HB ALA 17 2HB ALA 17 -0.634 -51.100 8.366 123 3HB ALA 17 3HB ALA 17 -0.946 -51.910 9.912 124 H LEU 18 H LEU 18 -1.073 -52.885 6.042 125 HA LEU 18 HA LEU 18 -3.694 -53.850 6.613 126 1HB LEU 18 2HB LEU 18 -3.236 -52.124 4.964 127 2HB LEU 18 3HB LEU 18 -2.063 -53.133 4.143 128 HG LEU 18 HG LEU 18 -3.733 -54.649 3.436 129 1HD1 LEU 18 1HD1 LEU 18 -6.180 -54.100 3.606 130 2HD1 LEU 18 2HD1 LEU 18 -5.470 -54.396 5.193 131 3HD1 LEU 18 3HD1 LEU 18 -5.780 -52.730 4.667 132 1HD2 LEU 18 1HD2 LEU 18 -4.900 -53.180 1.799 133 2HD2 LEU 18 2HD2 LEU 18 -4.440 -51.770 2.770 134 3HD2 LEU 18 3HD2 LEU 18 -3.187 -52.752 1.980 135 H LYS 19 H LYS 19 -0.727 -55.387 5.198 136 HA LYS 19 HA LYS 19 -1.934 -57.628 4.087 137 1HB LYS 19 2HB LYS 19 0.160 -58.070 3.496 138 2HB LYS 19 3HB LYS 19 0.618 -56.569 4.261 139 1HG LYS 19 2HG LYS 19 1.114 -57.839 6.381 140 2HG LYS 19 3HG LYS 19 0.653 -59.312 5.546 141 1HD LYS 19 2HD LYS 19 2.979 -59.323 5.551 142 2HD LYS 19 3HD LYS 19 2.548 -58.883 3.890 143 1HE LYS 19 2HE LYS 19 3.120 -56.588 4.245 144 2HE LYS 19 3HE LYS 19 3.031 -56.766 6.005 145 1HZ LYS 19 1HZ LYS 19 5.188 -57.848 4.267 146 2HZ LYS 19 2HZ LYS 19 5.291 -56.666 5.420 147 3HZ LYS 19 3HZ LYS 19 5.019 -58.208 5.858 148 H THR 20 H THR 20 -1.238 -57.104 7.514 149 HA THR 20 HA THR 20 -1.378 -59.898 8.241 150 HB THR 20 HB THR 20 -1.399 -59.140 10.549 151 HG1 THR 20 1HG THR 20 -1.405 -56.924 10.983 152 1HG2 THR 20 1HG2 THR 20 0.716 -57.954 10.607 153 2HG2 THR 20 2HG2 THR 20 0.766 -59.147 9.299 154 3HG2 THR 20 3HG2 THR 20 0.532 -57.424 8.923 155 H LEU 21 H LEU 21 -3.956 -57.714 7.471 156 HA LEU 21 HA LEU 21 -5.929 -58.746 9.267 157 1HB LEU 21 2HB LEU 21 -6.199 -57.487 6.508 158 2HB LEU 21 3HB LEU 21 -7.529 -57.795 7.612 159 HG LEU 21 HG LEU 21 -5.253 -55.816 8.013 160 1HD1 LEU 21 1HD1 LEU 21 -8.270 -55.415 7.818 161 2HD1 LEU 21 2HD1 LEU 21 -7.016 -54.154 7.886 162 3HD1 LEU 21 3HD1 LEU 21 -7.146 -55.208 6.466 163 1HD2 LEU 21 1HD2 LEU 21 -5.772 -56.723 10.221 164 2HD2 LEU 21 2HD2 LEU 21 -6.466 -55.109 10.073 165 3HD2 LEU 21 3HD2 LEU 21 -7.519 -56.534 9.925 166 HA PRO 22 HA PRO 22 -6.744 -62.782 7.643 167 1HB PRO 22 2HB PRO 22 -9.684 -62.192 7.923 168 2HB PRO 22 3HB PRO 22 -8.744 -63.577 8.553 169 1HG PRO 22 2HG PRO 22 -9.521 -61.553 10.194 170 2HG PRO 22 3HG PRO 22 -7.890 -62.282 10.351 171 1HD PRO 22 2HD PRO 22 -8.666 -59.705 8.969 172 2HD PRO 22 3HD PRO 22 -7.298 -60.045 10.072 173 H ASP 23 H ASP 23 -7.049 -63.721 5.640 174 HA ASP 23 HA ASP 23 -7.486 -62.153 3.325 175 1HB ASP 23 2HB ASP 23 -7.552 -65.152 3.822 176 2HB ASP 23 3HB ASP 23 -7.807 -64.454 2.222 177 H GLU 24 H GLU 24 -9.838 -64.104 5.175 178 HA GLU 24 HA GLU 24 -12.008 -63.843 3.286 179 1HB GLU 24 2HB GLU 24 -12.061 -64.284 6.302 180 2HB GLU 24 3HB GLU 24 -13.436 -64.483 5.219 181 1HG GLU 24 2HG GLU 24 -10.870 -66.131 5.182 182 2HG GLU 24 3HG GLU 24 -12.424 -66.638 5.822 183 H GLU 25 H GLU 25 -10.934 -61.788 6.013 184 HA GLU 25 HA GLU 25 -13.209 -59.999 5.953 185 1HB GLU 25 2HB GLU 25 -11.592 -60.403 7.886 186 2HB GLU 25 3HB GLU 25 -10.373 -59.522 6.974 187 1HG GLU 25 2HG GLU 25 -11.257 -58.000 8.511 188 2HG GLU 25 3HG GLU 25 -11.935 -57.519 6.962 189 H VAL 26 H VAL 26 -9.886 -59.873 4.613 190 HA VAL 26 HA VAL 26 -10.078 -57.336 3.293 191 HB VAL 26 HB VAL 26 -8.362 -59.805 2.843 192 1HG1 VAL 26 1HG1 VAL 26 -8.406 -58.633 0.681 193 2HG1 VAL 26 2HG1 VAL 26 -8.021 -57.098 1.493 194 3HG1 VAL 26 3HG1 VAL 26 -6.848 -58.428 1.482 195 1HG2 VAL 26 1HG2 VAL 26 -8.008 -58.518 4.952 196 2HG2 VAL 26 2HG2 VAL 26 -6.611 -58.419 3.877 197 3HG2 VAL 26 3HG2 VAL 26 -7.735 -57.047 4.000 198 H ASP 27 H ASP 27 -10.675 -60.669 2.020 199 HA ASP 27 HA ASP 27 -11.443 -59.826 -0.598 200 1HB ASP 27 2HB ASP 27 -10.763 -62.121 0.006 201 2HB ASP 27 3HB ASP 27 -12.239 -62.314 0.958 202 H SER 28 H SER 28 -13.396 -60.220 2.397 203 HA SER 28 HA SER 28 -15.968 -59.916 1.189 204 1HB SER 28 2HB SER 28 -15.040 -59.141 3.984 205 2HB SER 28 3HB SER 28 -16.723 -59.161 3.435 206 HG SER 28 HG SER 28 -14.917 -61.342 3.653 207 H ILE 29 H ILE 29 -13.720 -57.402 2.490 208 HA ILE 29 HA ILE 29 -15.487 -55.214 1.923 209 HB ILE 29 HB ILE 29 -12.461 -55.202 2.239 210 1HG1 ILE 29 2HG1 ILE 29 -14.566 -54.516 4.343 211 2HG1 ILE 29 3HG1 ILE 29 -13.875 -56.116 4.222 212 1HG2 ILE 29 1HG2 ILE 29 -14.545 -52.959 2.411 213 2HG2 ILE 29 2HG2 ILE 29 -12.833 -52.773 2.825 214 3HG2 ILE 29 3HG2 ILE 29 -13.292 -53.128 1.166 215 1HD1 ILE 29 1HD1 ILE 29 -12.309 -53.588 4.840 216 2HD1 ILE 29 2HD1 ILE 29 -12.691 -54.928 5.931 217 3HD1 ILE 29 3HD1 ILE 29 -11.591 -55.195 4.566 218 H LEU 30 H LEU 30 -12.764 -56.671 0.057 219 HA LEU 30 HA LEU 30 -12.936 -54.866 -2.163 220 1HB LEU 30 2HB LEU 30 -11.947 -57.740 -1.996 221 2HB LEU 30 3HB LEU 30 -11.762 -56.711 -3.415 222 HG LEU 30 HG LEU 30 -10.557 -56.147 -0.675 223 1HD1 LEU 30 1HD1 LEU 30 -9.305 -57.042 -3.302 224 2HD1 LEU 30 2HD1 LEU 30 -8.416 -56.610 -1.824 225 3HD1 LEU 30 3HD1 LEU 30 -9.481 -58.023 -1.832 226 1HD2 LEU 30 1HD2 LEU 30 -9.268 -54.389 -1.895 227 2HD2 LEU 30 2HD2 LEU 30 -10.352 -54.612 -3.279 228 3HD2 LEU 30 3HD2 LEU 30 -10.979 -54.034 -1.717 229 H ALA 31 H ALA 31 -14.743 -57.872 -1.506 230 HA ALA 31 HA ALA 31 -16.027 -58.038 -4.057 231 1HB ALA 31 1HB ALA 31 -17.510 -59.631 -2.900 232 2HB ALA 31 2HB ALA 31 -15.814 -59.923 -2.481 233 3HB ALA 31 3HB ALA 31 -16.885 -59.092 -1.328 234 H GLU 32 H GLU 32 -16.522 -55.679 -1.619 235 HA GLU 32 HA GLU 32 -19.247 -55.019 -2.699 236 1HB GLU 32 2HB GLU 32 -18.172 -54.663 0.122 237 2HB GLU 32 3HB GLU 32 -19.696 -54.002 -0.480 238 1HG GLU 32 2HG GLU 32 -20.430 -56.343 -1.061 239 2HG GLU 32 3HG GLU 32 -18.989 -56.955 -0.251 240 H ASP 33 H ASP 33 -16.023 -53.753 -2.173 241 HA ASP 33 HA ASP 33 -16.963 -51.153 -3.307 242 1HB ASP 33 2HB ASP 33 -16.688 -51.190 -0.725 243 2HB ASP 33 3HB ASP 33 -14.961 -51.272 -1.038 244 H GLY 34 H GLY 34 -14.579 -53.631 -3.510 245 1HA GLY 34 2HA GLY 34 -12.846 -53.900 -4.978 246 2HA GLY 34 3HA GLY 34 -13.272 -52.363 -5.728 247 H GLU 35 H GLU 35 -12.702 -51.648 -2.515 248 HA GLU 35 HA GLU 35 -9.793 -51.611 -2.494 249 1HB GLU 35 2HB GLU 35 -9.559 -49.171 -2.397 250 2HB GLU 35 3HB GLU 35 -10.229 -49.676 -3.941 251 1HG GLU 35 2HG GLU 35 -12.518 -49.047 -3.127 252 2HG GLU 35 3HG GLU 35 -11.798 -48.501 -1.610 253 H ILE 36 H ILE 36 -8.922 -50.667 -0.516 254 HA ILE 36 HA ILE 36 -10.803 -50.570 1.801 255 HB ILE 36 HB ILE 36 -8.095 -51.964 1.763 256 1HG1 ILE 36 2HG1 ILE 36 -10.860 -53.235 1.597 257 2HG1 ILE 36 3HG1 ILE 36 -9.635 -53.218 0.333 258 1HG2 ILE 36 1HG2 ILE 36 -8.811 -51.089 3.984 259 2HG2 ILE 36 2HG2 ILE 36 -10.336 -51.993 3.843 260 3HG2 ILE 36 3HG2 ILE 36 -8.776 -52.835 3.970 261 1HD1 ILE 36 1HD1 ILE 36 -8.097 -54.458 1.877 262 2HD1 ILE 36 2HD1 ILE 36 -9.507 -54.726 2.940 263 3HD1 ILE 36 3HD1 ILE 36 -9.523 -55.341 1.279 264 H ASP 37 H ASP 37 -10.367 -49.020 3.238 265 HA ASP 37 HA ASP 37 -7.997 -47.226 2.862 266 1HB ASP 37 2HB ASP 37 -10.192 -46.130 2.765 267 2HB ASP 37 3HB ASP 37 -10.625 -46.805 4.337 268 H MET 38 H MET 38 -6.401 -47.268 4.373 269 HA MET 38 HA MET 38 -6.862 -48.690 6.965 270 1HB MET 38 2HB MET 38 -5.812 -50.203 5.304 271 2HB MET 38 3HB MET 38 -4.503 -49.044 5.073 272 1HG MET 38 2HG MET 38 -3.808 -50.854 6.550 273 2HG MET 38 3HG MET 38 -3.801 -49.340 7.417 274 1HE MET 38 1HE MET 38 -3.526 -52.103 8.817 275 2HE MET 38 2HE MET 38 -3.595 -50.564 9.708 276 3HE MET 38 3HE MET 38 -4.623 -51.928 10.203 277 H HIS 39 H HIS 39 -5.494 -48.114 8.671 278 HA HIS 39 HA HIS 39 -4.617 -45.295 8.594 279 1HB HIS 39 2HB HIS 39 -4.668 -45.506 11.052 280 2HB HIS 39 3HB HIS 39 -6.210 -45.866 10.290 281 HD1 HIS 39 HD1 HIS 39 -7.181 -48.336 10.665 282 HD2 HIS 39 HD2 HIS 39 -3.311 -47.642 12.168 283 HE1 HIS 39 HE1 HIS 39 -6.582 -50.377 12.066 284 H CYS 40 H CYS 40 -2.657 -44.584 9.091 285 HA CYS 40 HA CYS 40 -0.307 -46.320 8.941 286 1HB CYS 40 2HB CYS 40 -0.419 -44.115 7.811 287 2HB CYS 40 3HB CYS 40 -0.688 -43.325 9.371 288 H ASP 41 H ASP 41 -0.399 -47.610 10.811 289 HA ASP 41 HA ASP 41 -1.085 -46.816 13.427 290 1HB ASP 41 2HB ASP 41 -0.879 -49.141 12.597 291 2HB ASP 41 3HB ASP 41 0.874 -48.962 12.524 292 H TYR 42 H TYR 42 1.805 -46.101 11.694 293 HA TYR 42 HA TYR 42 3.550 -45.573 13.968 294 1HB TYR 42 2HB TYR 42 3.735 -45.135 10.963 295 2HB TYR 42 3HB TYR 42 5.008 -44.716 12.083 296 HD1 TYR 42 HD1 TYR 42 6.190 -46.500 13.394 297 HD2 TYR 42 HD2 TYR 42 3.263 -47.475 10.370 298 HE1 TYR 42 HE1 TYR 42 6.969 -48.872 13.395 299 HE2 TYR 42 HE2 TYR 42 4.003 -49.851 10.423 300 HH TYR 42 HH TYR 42 5.450 -51.380 11.335 301 H CYS 43 H CYS 43 1.615 -43.566 11.738 302 HA CYS 43 HA CYS 43 2.444 -41.112 13.257 303 1HB CYS 43 2HB CYS 43 1.683 -41.271 10.325 304 2HB CYS 43 3HB CYS 43 2.386 -39.904 11.195 305 H GLY 44 H GLY 44 -0.395 -42.885 12.269 306 1HA GLY 44 2HA GLY 44 -2.568 -42.447 13.048 307 2HA GLY 44 3HA GLY 44 -2.150 -40.768 13.387 308 H ASN 45 H ASN 45 -1.000 -41.302 10.352 309 HA ASN 45 HA ASN 45 -3.112 -39.895 8.935 310 1HB ASN 45 2HB ASN 45 -0.636 -39.640 8.552 311 2HB ASN 45 3HB ASN 45 -0.571 -41.303 7.971 312 1HD2 ASN 45 2HD2 ASN 45 0.093 -40.820 5.831 313 2HD2 ASN 45 1HD2 ASN 45 -0.947 -39.928 4.739 314 H HIS 46 H HIS 46 -3.560 -41.018 6.532 315 HA HIS 46 HA HIS 46 -4.149 -43.890 6.802 316 1HB HIS 46 2HB HIS 46 -6.437 -43.770 6.314 317 2HB HIS 46 3HB HIS 46 -6.186 -42.628 7.622 318 HD1 HIS 46 HD1 HIS 46 -7.837 -42.873 4.351 319 HD2 HIS 46 HD2 HIS 46 -5.912 -39.883 6.623 320 HE1 HIS 46 HE1 HIS 46 -8.600 -40.633 3.392 321 H TYR 47 H TYR 47 -4.787 -44.923 4.722 322 HA TYR 47 HA TYR 47 -4.055 -43.535 2.238 323 1HB TYR 47 2HB TYR 47 -2.532 -45.896 3.432 324 2HB TYR 47 3HB TYR 47 -2.491 -45.495 1.734 325 HD1 TYR 47 HD1 TYR 47 -1.084 -44.761 5.000 326 HD2 TYR 47 HD2 TYR 47 -1.547 -43.254 0.983 327 HE1 TYR 47 HE1 TYR 47 0.892 -43.278 5.328 328 HE2 TYR 47 HE2 TYR 47 0.408 -41.753 1.323 329 HH TYR 47 HH TYR 47 2.046 -41.059 2.758 330 H LEU 48 H LEU 48 -4.715 -44.775 0.411 331 HA LEU 48 HA LEU 48 -6.695 -46.868 1.054 332 1HB LEU 48 2HB LEU 48 -8.064 -46.148 -0.715 333 2HB LEU 48 3HB LEU 48 -7.630 -44.720 0.207 334 HG LEU 48 HG LEU 48 -6.490 -45.547 -2.509 335 1HD1 LEU 48 1HD1 LEU 48 -8.818 -44.749 -2.563 336 2HD1 LEU 48 2HD1 LEU 48 -8.336 -43.262 -1.717 337 3HD1 LEU 48 3HD1 LEU 48 -7.723 -43.606 -3.351 338 1HD2 LEU 48 1HD2 LEU 48 -4.742 -44.273 -1.405 339 2HD2 LEU 48 2HD2 LEU 48 -5.533 -43.221 -2.567 340 3HD2 LEU 48 3HD2 LEU 48 -5.922 -43.056 -0.841 341 H PHE 49 H PHE 49 -6.798 -48.749 -0.129 342 HA PHE 49 HA PHE 49 -4.651 -49.354 -2.148 343 1HB PHE 49 2HB PHE 49 -5.498 -51.018 0.261 344 2HB PHE 49 3HB PHE 49 -4.348 -51.500 -0.978 345 HD1 PHE 49 HD1 PHE 49 -4.899 -49.258 1.937 346 HD2 PHE 49 HD2 PHE 49 -2.078 -50.651 -1.009 347 HE1 PHE 49 HE1 PHE 49 -3.049 -48.207 3.209 348 HE2 PHE 49 HE2 PHE 49 -0.241 -49.549 0.229 349 HZ PHE 49 HZ PHE 49 -0.712 -48.334 2.349 350 H ASN 50 H ASN 50 -5.497 -50.111 -3.961 351 HA ASN 50 HA ASN 50 -8.281 -51.048 -4.094 352 1HB ASN 50 2HB ASN 50 -6.174 -50.877 -6.282 353 2HB ASN 50 3HB ASN 50 -7.903 -51.072 -6.510 354 1HD2 ASN 50 2HD2 ASN 50 -9.337 -49.251 -6.055 355 2HD2 ASN 50 1HD2 ASN 50 -8.669 -47.634 -6.018 356 H ALA 51 H ALA 51 -8.774 -53.011 -5.417 357 HA ALA 51 HA ALA 51 -7.858 -55.376 -4.197 358 1HB ALA 51 1HB ALA 51 -9.096 -55.029 -6.970 359 2HB ALA 51 2HB ALA 51 -9.078 -56.520 -6.006 360 3HB ALA 51 3HB ALA 51 -10.007 -55.116 -5.451 361 H MET 52 H MET 52 -6.682 -53.840 -7.204 362 HA MET 52 HA MET 52 -4.901 -55.963 -7.996 363 1HB MET 52 2HB MET 52 -4.877 -52.984 -8.626 364 2HB MET 52 3HB MET 52 -3.848 -54.190 -9.409 365 1HG MET 52 2HG MET 52 -5.851 -55.410 -10.192 366 2HG MET 52 3HG MET 52 -6.892 -54.177 -9.483 367 1HE MET 52 1HE MET 52 -5.422 -51.392 -10.210 368 2HE MET 52 2HE MET 52 -6.264 -51.045 -11.732 369 3HE MET 52 3HE MET 52 -7.164 -51.731 -10.362 370 H ASP 53 H ASP 53 -4.397 -53.089 -5.869 371 HA ASP 53 HA ASP 53 -1.532 -53.487 -5.684 372 1HB ASP 53 2HB ASP 53 -2.982 -51.377 -5.274 373 2HB ASP 53 3HB ASP 53 -3.296 -52.036 -3.675 374 H ILE 54 H ILE 54 -4.347 -54.377 -3.673 375 HA ILE 54 HA ILE 54 -2.922 -55.729 -1.575 376 HB ILE 54 HB ILE 54 -5.766 -55.820 -2.630 377 1HG1 ILE 54 2HG1 ILE 54 -4.688 -54.795 0.030 378 2HG1 ILE 54 3HG1 ILE 54 -4.693 -53.771 -1.397 379 1HG2 ILE 54 1HG2 ILE 54 -4.631 -57.268 -0.194 380 2HG2 ILE 54 2HG2 ILE 54 -6.360 -57.045 -0.534 381 3HG2 ILE 54 3HG2 ILE 54 -5.383 -58.014 -1.625 382 1HD1 ILE 54 1HD1 ILE 54 -7.197 -54.997 -0.204 383 2HD1 ILE 54 2HD1 ILE 54 -6.648 -53.321 -0.012 384 3HD1 ILE 54 3HD1 ILE 54 -7.099 -53.920 -1.615 385 H ALA 55 H ALA 55 -4.111 -56.805 -4.763 386 HA ALA 55 HA ALA 55 -3.491 -59.596 -4.386 387 1HB ALA 55 1HB ALA 55 -3.667 -59.726 -6.842 388 2HB ALA 55 2HB ALA 55 -5.021 -58.823 -6.142 389 3HB ALA 55 3HB ALA 55 -3.693 -57.956 -6.949 390 H GLU 56 H GLU 56 -1.517 -56.828 -5.594 391 HA GLU 56 HA GLU 56 0.802 -58.443 -6.269 392 1HB GLU 56 2HB GLU 56 0.433 -55.488 -5.648 393 2HB GLU 56 3HB GLU 56 2.006 -56.188 -6.010 394 1HG GLU 56 2HG GLU 56 -0.377 -56.395 -7.898 395 2HG GLU 56 3HG GLU 56 0.806 -55.096 -7.951 396 H ILE 57 H ILE 57 -0.194 -56.679 -3.315 397 HA ILE 57 HA ILE 57 2.102 -57.264 -1.710 398 HB ILE 57 HB ILE 57 -0.803 -56.660 -1.092 399 1HG1 ILE 57 2HG1 ILE 57 1.690 -54.978 -0.584 400 2HG1 ILE 57 3HG1 ILE 57 0.800 -54.909 -2.096 401 1HG2 ILE 57 1HG2 ILE 57 -0.151 -56.289 1.289 402 2HG2 ILE 57 2HG2 ILE 57 -0.006 -57.975 0.829 403 3HG2 ILE 57 3HG2 ILE 57 1.454 -56.964 0.943 404 1HD1 ILE 57 1HD1 ILE 57 -1.264 -54.235 -0.853 405 2HD1 ILE 57 2HD1 ILE 57 -0.296 -54.147 0.638 406 3HD1 ILE 57 3HD1 ILE 57 0.073 -53.081 -0.726 407 H ARG 58 H ARG 58 -0.916 -59.159 -2.242 408 HA ARG 58 HA ARG 58 -0.051 -61.346 -0.515 409 1HB ARG 58 2HB ARG 58 -2.336 -60.894 -2.449 410 2HB ARG 58 3HB ARG 58 -1.977 -62.538 -1.944 411 1HG ARG 58 2HG ARG 58 -2.516 -60.271 0.022 412 2HG ARG 58 3HG ARG 58 -3.730 -61.419 -0.562 413 1HD ARG 58 2HD ARG 58 -2.325 -63.310 0.294 414 2HD ARG 58 3HD ARG 58 -1.212 -62.155 1.013 415 HE ARG 58 HE ARG 58 -3.881 -62.931 1.951 416 1HH1 ARG 58 1HH1 ARG 58 -1.455 -60.396 2.314 417 2HH1 ARG 58 2HH1 ARG 58 -1.926 -60.137 3.990 418 1HH2 ARG 58 1HH2 ARG 58 -4.260 -62.579 4.093 419 2HH2 ARG 58 2HH2 ARG 58 -3.563 -61.171 4.886 420 H ASN 59 H ASN 59 0.433 -60.719 -3.961 421 HA ASN 59 HA ASN 59 1.451 -63.405 -4.466 422 1HB ASN 59 2HB ASN 59 1.384 -60.812 -6.024 423 2HB ASN 59 3HB ASN 59 2.497 -62.081 -6.518 424 1HD2 ASN 59 2HD2 ASN 59 -0.958 -61.377 -6.037 425 2HD2 ASN 59 1HD2 ASN 59 -1.503 -62.693 -7.084 426 H ASN 60 H ASN 60 2.814 -60.492 -3.311 427 HA ASN 60 HA ASN 60 5.625 -61.331 -3.449 428 1HB ASN 60 2HB ASN 60 4.996 -58.964 -3.605 429 2HB ASN 60 3HB ASN 60 4.202 -59.028 -2.034 430 1HD2 ASN 60 2HD2 ASN 60 7.333 -58.907 -3.668 431 2HD2 ASN 60 1HD2 ASN 60 8.249 -58.626 -2.194 432 H ALA 61 H ALA 61 3.176 -61.050 -0.861 433 HA ALA 61 HA ALA 61 2.995 -61.791 1.231 434 1HB ALA 61 1HB ALA 61 3.223 -64.203 1.486 435 2HB ALA 61 2HB ALA 61 2.602 -63.814 -0.122 436 3HB ALA 61 3HB ALA 61 4.305 -64.279 0.079 437 H SER 62 H SER 62 5.688 -60.419 0.764 438 HA SER 62 HA SER 62 6.870 -61.061 3.411 439 1HB SER 62 2HB SER 62 8.396 -61.138 0.779 440 2HB SER 62 3HB SER 62 9.181 -60.960 2.361 441 HG SER 62 HG SER 62 7.334 -63.056 1.877 Start of MODEL 15 1 1H MET 1 H1 MET 1 8.309 -36.814 29.751 2 2H MET 1 H2 MET 1 7.409 -35.483 30.051 3 3H MET 1 H3 MET 1 6.675 -36.908 29.704 4 HA MET 1 HA MET 1 7.581 -36.900 27.478 5 1HB MET 1 2HB MET 1 5.338 -35.917 27.882 6 2HB MET 1 3HB MET 1 6.073 -34.332 28.155 7 1HG MET 1 2HG MET 1 6.895 -34.291 25.839 8 2HG MET 1 3HG MET 1 6.284 -35.928 25.568 9 1HE MET 1 1HE MET 1 5.201 -35.012 23.333 10 2HE MET 1 2HE MET 1 4.078 -33.636 23.268 11 3HE MET 1 3HE MET 1 5.783 -33.370 23.697 12 H ASP 2 H ASP 2 8.886 -35.972 25.896 13 HA ASP 2 HA ASP 2 10.524 -33.583 26.532 14 1HB ASP 2 2HB ASP 2 11.806 -35.562 27.305 15 2HB ASP 2 3HB ASP 2 11.627 -36.306 25.715 16 H VAL 3 H VAL 3 11.183 -32.449 24.679 17 HA VAL 3 HA VAL 3 10.594 -33.445 21.980 18 HB VAL 3 HB VAL 3 8.406 -32.662 22.846 19 1HG1 VAL 3 1HG1 VAL 3 9.629 -29.877 22.949 20 2HG1 VAL 3 2HG1 VAL 3 7.924 -30.302 23.190 21 3HG1 VAL 3 3HG1 VAL 3 9.137 -30.850 24.353 22 1HG2 VAL 3 1HG2 VAL 3 9.343 -30.823 20.628 23 2HG2 VAL 3 2HG2 VAL 3 8.936 -32.547 20.414 24 3HG2 VAL 3 3HG2 VAL 3 7.706 -31.400 20.965 25 H GLU 4 H GLU 4 11.367 -32.006 20.282 26 HA GLU 4 HA GLU 4 13.409 -29.987 21.087 27 1HB GLU 4 2HB GLU 4 13.555 -32.285 19.086 28 2HB GLU 4 3HB GLU 4 14.674 -30.933 19.112 29 1HG GLU 4 2HG GLU 4 15.338 -31.511 21.442 30 2HG GLU 4 3HG GLU 4 14.244 -32.898 21.402 31 H PHE 5 H PHE 5 13.848 -28.379 19.468 32 HA PHE 5 HA PHE 5 11.499 -27.740 17.774 33 1HB PHE 5 2HB PHE 5 12.532 -26.166 19.515 34 2HB PHE 5 3HB PHE 5 13.874 -25.963 18.396 35 HD1 PHE 5 HD1 PHE 5 13.669 -24.331 16.630 36 HD2 PHE 5 HD2 PHE 5 10.139 -25.713 18.692 37 HE1 PHE 5 HE1 PHE 5 12.302 -22.628 15.443 38 HE2 PHE 5 HE2 PHE 5 8.778 -24.009 17.504 39 HZ PHE 5 HZ PHE 5 9.858 -22.465 15.877 40 H LYS 6 H LYS 6 11.846 -26.766 15.624 41 HA LYS 6 HA LYS 6 14.255 -27.483 14.090 42 1HB LYS 6 2HB LYS 6 12.821 -29.570 14.292 43 2HB LYS 6 3HB LYS 6 11.526 -28.710 13.462 44 1HG LYS 6 2HG LYS 6 12.949 -28.535 11.432 45 2HG LYS 6 3HG LYS 6 14.283 -29.328 12.300 46 1HD LYS 6 2HD LYS 6 12.862 -31.344 12.620 47 2HD LYS 6 3HD LYS 6 11.526 -30.537 11.772 48 1HE LYS 6 2HE LYS 6 12.929 -30.371 9.731 49 2HE LYS 6 3HE LYS 6 14.254 -31.193 10.576 50 1HZ LYS 6 1HZ LYS 6 12.792 -33.136 10.820 51 2HZ LYS 6 2HZ LYS 6 11.578 -32.374 10.035 52 3HZ LYS 6 3HZ LYS 6 12.948 -32.757 9.241 53 H CYS 7 H CYS 7 14.323 -26.516 12.067 54 HA CYS 7 HA CYS 7 13.035 -23.984 11.652 55 1HB CYS 7 2HB CYS 7 15.338 -24.782 10.940 56 2HB CYS 7 3HB CYS 7 14.537 -25.725 9.662 57 H THR 8 H THR 8 11.945 -23.442 9.516 58 HA THR 8 HA THR 8 9.459 -24.790 9.167 59 HB THR 8 HB THR 8 10.852 -22.959 7.183 60 HG1 THR 8 1HG THR 8 9.930 -21.278 8.339 61 1HG2 THR 8 1HG2 THR 8 7.914 -23.438 7.830 62 2HG2 THR 8 2HG2 THR 8 8.525 -22.164 6.747 63 3HG2 THR 8 3HG2 THR 8 8.751 -23.861 6.317 64 H CYS 9 H CYS 9 12.606 -25.394 7.842 65 HA CYS 9 HA CYS 9 11.586 -27.493 5.999 66 1HB CYS 9 2HB CYS 9 13.725 -27.103 4.770 67 2HB CYS 9 3HB CYS 9 12.529 -25.808 4.656 68 H SER 10 H SER 10 14.946 -27.267 6.761 69 HA SER 10 HA SER 10 14.970 -29.081 9.037 70 1HB SER 10 2HB SER 10 15.890 -31.052 7.920 71 2HB SER 10 3HB SER 10 14.325 -30.666 7.209 72 HG SER 10 HG SER 10 15.764 -31.062 5.553 73 H ARG 11 H ARG 11 17.128 -29.877 9.617 74 HA ARG 11 HA ARG 11 19.222 -27.921 9.488 75 1HB ARG 11 2HB ARG 11 18.927 -29.709 11.235 76 2HB ARG 11 3HB ARG 11 19.431 -30.917 10.066 77 1HG ARG 11 2HG ARG 11 21.631 -29.858 9.822 78 2HG ARG 11 3HG ARG 11 21.176 -28.548 10.912 79 1HD ARG 11 2HD ARG 11 20.964 -31.385 11.919 80 2HD ARG 11 3HD ARG 11 22.576 -30.752 11.649 81 HE ARG 11 HE ARG 11 20.721 -29.975 13.767 82 1HH1 ARG 11 1HH2 ARG 11 23.555 -28.829 11.996 83 2HH1 ARG 11 2HH2 ARG 11 24.145 -27.969 13.398 84 1HH2 ARG 11 1HH1 ARG 11 21.616 -28.786 15.481 85 2HH2 ARG 11 2HH1 ARG 11 23.137 -27.959 15.217 86 H GLU 12 H GLU 12 18.480 -30.707 7.549 87 HA GLU 12 HA GLU 12 20.897 -31.067 6.127 88 1HB GLU 12 2HB GLU 12 18.867 -32.569 6.125 89 2HB GLU 12 3HB GLU 12 18.103 -31.447 4.992 90 1HG GLU 12 2HG GLU 12 20.001 -31.819 3.395 91 2HG GLU 12 3HG GLU 12 20.693 -32.984 4.526 92 H ARG 13 H ARG 13 18.218 -28.758 5.397 93 HA ARG 13 HA ARG 13 19.400 -27.825 2.915 94 1HB ARG 13 2HB ARG 13 17.447 -26.420 4.785 95 2HB ARG 13 3HB ARG 13 17.902 -25.882 3.180 96 1HG ARG 13 2HG ARG 13 16.229 -28.270 3.937 97 2HG ARG 13 3HG ARG 13 15.823 -26.910 2.900 98 1HD ARG 13 2HD ARG 13 17.618 -29.266 2.272 99 2HD ARG 13 3HD ARG 13 16.075 -28.866 1.528 100 HE ARG 13 HE ARG 13 17.257 -26.768 0.631 101 1HH1 ARG 13 1HH1 ARG 13 19.048 -29.807 1.018 102 2HH1 ARG 13 2HH1 ARG 13 20.327 -29.187 -0.030 103 1HH2 ARG 13 1HH2 ARG 13 18.964 -26.242 -0.765 104 2HH2 ARG 13 2HH2 ARG 13 20.317 -27.377 -0.875 105 H CYS 14 H CYS 14 19.724 -26.699 6.238 106 HA CYS 14 HA CYS 14 21.494 -24.489 5.633 107 1HB CYS 14 2HB CYS 14 20.067 -24.891 7.723 108 2HB CYS 14 3HB CYS 14 21.292 -26.063 8.240 109 HG CYS 14 HG CYS 14 21.638 -23.792 9.491 110 H ALA 15 H ALA 15 22.051 -27.897 6.563 111 HA ALA 15 HA ALA 15 24.891 -27.858 6.734 112 1HB ALA 15 1HB ALA 15 23.431 -29.658 7.627 113 2HB ALA 15 2HB ALA 15 23.008 -30.134 5.970 114 3HB ALA 15 3HB ALA 15 24.674 -30.304 6.534 115 H ASP 16 H ASP 16 22.723 -28.431 3.938 116 HA ASP 16 HA ASP 16 24.653 -29.178 2.008 117 1HB ASP 16 2HB ASP 16 22.147 -29.329 1.886 118 2HB ASP 16 3HB ASP 16 22.087 -27.589 1.621 119 H ALA 17 H ALA 17 23.676 -25.950 3.153 120 HA ALA 17 HA ALA 17 25.290 -24.486 1.228 121 1HB ALA 17 1HB ALA 17 24.694 -22.537 2.594 122 2HB ALA 17 2HB ALA 17 23.256 -23.532 2.297 123 3HB ALA 17 3HB ALA 17 24.067 -23.584 3.879 124 H LEU 18 H LEU 18 25.946 -25.815 4.505 125 HA LEU 18 HA LEU 18 28.428 -24.367 4.867 126 1HB LEU 18 2HB LEU 18 27.138 -24.939 6.777 127 2HB LEU 18 3HB LEU 18 26.856 -26.579 6.220 128 HG LEU 18 HG LEU 18 29.147 -27.169 6.594 129 1HD1 LEU 18 1HD1 LEU 18 30.639 -25.695 7.981 130 2HD1 LEU 18 2HD1 LEU 18 30.311 -24.986 6.401 131 3HD1 LEU 18 3HD1 LEU 18 29.447 -24.383 7.829 132 1HD2 LEU 18 1HD2 LEU 18 29.083 -27.165 9.069 133 2HD2 LEU 18 2HD2 LEU 18 27.831 -25.909 9.030 134 3HD2 LEU 18 3HD2 LEU 18 27.493 -27.524 8.373 135 H LYS 19 H LYS 19 27.561 -27.782 3.908 136 HA LYS 19 HA LYS 19 30.187 -28.739 3.849 137 1HB LYS 19 2HB LYS 19 29.237 -30.673 3.131 138 2HB LYS 19 3HB LYS 19 27.878 -29.919 3.911 139 1HG LYS 19 2HG LYS 19 27.106 -29.124 1.626 140 2HG LYS 19 3HG LYS 19 28.423 -30.067 0.909 141 1HD LYS 19 2HD LYS 19 27.475 -32.129 1.990 142 2HD LYS 19 3HD LYS 19 26.098 -31.144 2.548 143 1HE LYS 19 2HE LYS 19 25.687 -30.485 0.150 144 2HE LYS 19 3HE LYS 19 26.978 -31.578 -0.348 145 1HZ LYS 19 1HZ LYS 19 24.492 -32.408 1.054 146 2HZ LYS 19 2HZ LYS 19 24.797 -32.621 -0.531 147 3HZ LYS 19 3HZ LYS 19 25.685 -33.426 0.580 148 H THR 20 H THR 20 28.636 -26.777 1.387 149 HA THR 20 HA THR 20 30.474 -27.607 -0.740 150 HB THR 20 HB THR 20 29.455 -25.692 -1.992 151 HG1 THR 20 1HG THR 20 27.644 -24.731 -1.053 152 1HG2 THR 20 1HG2 THR 20 28.519 -27.943 -2.195 153 2HG2 THR 20 2HG2 THR 20 27.522 -27.701 -0.749 154 3HG2 THR 20 3HG2 THR 20 27.221 -26.738 -2.213 155 H LEU 21 H LEU 21 30.865 -25.490 1.939 156 HA LEU 21 HA LEU 21 32.586 -23.529 0.719 157 1HB LEU 21 2HB LEU 21 32.363 -24.527 3.592 158 2HB LEU 21 3HB LEU 21 33.242 -23.097 3.091 159 HG LEU 21 HG LEU 21 30.226 -23.478 2.860 160 1HD1 LEU 21 1HD1 LEU 21 31.884 -21.670 4.664 161 2HD1 LEU 21 2HD1 LEU 21 30.109 -21.783 4.615 162 3HD1 LEU 21 3HD1 LEU 21 31.068 -23.163 5.169 163 1HD2 LEU 21 1HD2 LEU 21 30.983 -22.010 1.055 164 2HD2 LEU 21 2HD2 LEU 21 30.192 -21.052 2.306 165 3HD2 LEU 21 3HD2 LEU 21 31.967 -21.063 2.199 166 HA PRO 22 HA PRO 22 36.397 -25.671 0.128 167 1HB PRO 22 2HB PRO 22 37.779 -23.560 1.780 168 2HB PRO 22 3HB PRO 22 38.208 -24.188 0.162 169 1HG PRO 22 2HG PRO 22 36.962 -21.791 0.428 170 2HG PRO 22 3HG PRO 22 36.473 -22.926 -0.872 171 1HD PRO 22 2HD PRO 22 35.134 -22.431 1.792 172 2HD PRO 22 3HD PRO 22 34.404 -22.615 0.168 173 H ASP 23 H ASP 23 37.269 -27.449 1.089 174 HA ASP 23 HA ASP 23 36.694 -28.214 3.755 175 1HB ASP 23 2HB ASP 23 38.779 -29.208 1.774 176 2HB ASP 23 3HB ASP 23 38.504 -29.960 3.343 177 H GLU 24 H GLU 24 39.640 -26.664 2.455 178 HA GLU 24 HA GLU 24 41.189 -26.841 4.876 179 1HB GLU 24 2HB GLU 24 42.106 -26.442 2.599 180 2HB GLU 24 3HB GLU 24 41.371 -24.833 2.589 181 1HG GLU 24 2HG GLU 24 42.770 -24.161 4.507 182 2HG GLU 24 3HG GLU 24 43.415 -25.800 4.639 183 H GLU 25 H GLU 25 38.882 -24.369 3.673 184 HA GLU 25 HA GLU 25 39.392 -22.444 5.767 185 1HB GLU 25 2HB GLU 25 38.308 -21.905 3.594 186 2HB GLU 25 3HB GLU 25 36.884 -22.840 4.075 187 1HG GLU 25 2HG GLU 25 36.502 -21.320 5.978 188 2HG GLU 25 3HG GLU 25 37.977 -20.431 5.591 189 H VAL 26 H VAL 26 36.943 -25.047 5.387 190 HA VAL 26 HA VAL 26 35.623 -24.644 7.913 191 HB VAL 26 HB VAL 26 35.900 -27.089 6.118 192 1HG1 VAL 26 1HG1 VAL 26 35.391 -27.925 8.373 193 2HG1 VAL 26 2HG1 VAL 26 34.079 -26.737 8.536 194 3HG1 VAL 26 3HG1 VAL 26 33.965 -28.043 7.341 195 1HG2 VAL 26 1HG2 VAL 26 34.623 -25.175 5.168 196 2HG2 VAL 26 2HG2 VAL 26 33.566 -26.547 5.510 197 3HG2 VAL 26 3HG2 VAL 26 33.588 -25.152 6.610 198 H ASP 27 H ASP 27 38.367 -26.796 6.998 199 HA ASP 27 HA ASP 27 38.764 -27.967 9.547 200 1HB ASP 27 2HB ASP 27 39.747 -28.793 7.446 201 2HB ASP 27 3HB ASP 27 40.794 -27.374 7.362 202 H SER 28 H SER 28 40.084 -24.854 8.259 203 HA SER 28 HA SER 28 41.854 -24.317 10.423 204 1HB SER 28 2HB SER 28 40.339 -22.450 8.568 205 2HB SER 28 3HB SER 28 41.481 -21.883 9.798 206 HG SER 28 HG SER 28 42.470 -22.204 7.733 207 H ILE 29 H ILE 29 38.318 -23.519 10.142 208 HA ILE 29 HA ILE 29 38.261 -22.163 12.676 209 HB ILE 29 HB ILE 29 35.923 -23.501 11.274 210 1HG1 ILE 29 2HG1 ILE 29 36.961 -22.033 9.642 211 2HG1 ILE 29 3HG1 ILE 29 35.441 -21.391 10.178 212 1HG2 ILE 29 1HG2 ILE 29 35.380 -22.845 13.536 213 2HG2 ILE 29 2HG2 ILE 29 36.140 -21.259 13.334 214 3HG2 ILE 29 3HG2 ILE 29 34.651 -21.652 12.457 215 1HD1 ILE 29 1HD1 ILE 29 37.125 -19.624 9.906 216 2HD1 ILE 29 2HD1 ILE 29 36.630 -19.725 11.602 217 3HD1 ILE 29 3HD1 ILE 29 38.190 -20.411 11.081 218 H LEU 30 H LEU 30 37.547 -25.551 11.694 219 HA LEU 30 HA LEU 30 36.747 -26.426 14.310 220 1HB LEU 30 2HB LEU 30 37.920 -27.974 11.971 221 2HB LEU 30 3HB LEU 30 37.238 -28.712 13.419 222 HG LEU 30 HG LEU 30 35.698 -26.996 11.418 223 1HD1 LEU 30 1HD1 LEU 30 35.610 -29.975 12.031 224 2HD1 LEU 30 2HD1 LEU 30 34.569 -29.110 10.875 225 3HD1 LEU 30 3HD1 LEU 30 36.309 -29.226 10.581 226 1HD2 LEU 30 1HD2 LEU 30 34.748 -28.397 13.941 227 2HD2 LEU 30 2HD2 LEU 30 34.688 -26.655 13.584 228 3HD2 LEU 30 3HD2 LEU 30 33.681 -27.766 12.669 229 H ALA 31 H ALA 31 39.965 -26.110 12.856 230 HA ALA 31 HA ALA 31 41.374 -27.399 15.047 231 1HB ALA 31 1HB ALA 31 42.341 -25.553 12.819 232 2HB ALA 31 2HB ALA 31 43.362 -26.583 13.843 233 3HB ALA 31 3HB ALA 31 42.216 -27.327 12.712 234 H GLU 32 H GLU 32 39.854 -24.351 14.896 235 HA GLU 32 HA GLU 32 41.730 -23.149 16.908 236 1HB GLU 32 2HB GLU 32 41.649 -22.097 14.645 237 2HB GLU 32 3HB GLU 32 39.938 -21.729 14.908 238 1HG GLU 32 2HG GLU 32 40.535 -20.309 16.837 239 2HG GLU 32 3HG GLU 32 42.231 -20.785 16.681 240 H ASP 33 H ASP 33 38.297 -23.744 16.172 241 HA ASP 33 HA ASP 33 37.636 -23.066 19.009 242 1HB ASP 33 2HB ASP 33 37.088 -21.234 17.248 243 2HB ASP 33 3HB ASP 33 35.837 -22.329 16.684 244 H GLY 34 H GLY 34 37.200 -25.269 16.369 245 1HA GLY 34 2HA GLY 34 36.304 -27.399 16.387 246 2HA GLY 34 3HA GLY 34 35.814 -27.167 18.058 247 H GLU 35 H GLU 35 34.407 -24.629 16.388 248 HA GLU 35 HA GLU 35 32.071 -26.104 15.363 249 1HB GLU 35 2HB GLU 35 30.488 -24.879 16.791 250 2HB GLU 35 3HB GLU 35 31.521 -25.956 17.710 251 1HG GLU 35 2HG GLU 35 32.959 -23.960 18.324 252 2HG GLU 35 3HG GLU 35 31.815 -22.929 17.465 253 H ILE 36 H ILE 36 30.506 -24.824 14.286 254 HA ILE 36 HA ILE 36 31.378 -22.142 13.299 255 HB ILE 36 HB ILE 36 30.419 -24.511 11.635 256 1HG1 ILE 36 2HG1 ILE 36 33.137 -23.126 11.544 257 2HG1 ILE 36 3HG1 ILE 36 32.841 -24.654 12.374 258 1HG2 ILE 36 1HG2 ILE 36 30.783 -23.031 9.666 259 2HG2 ILE 36 2HG2 ILE 36 29.558 -22.382 10.726 260 3HG2 ILE 36 3HG2 ILE 36 31.193 -21.688 10.753 261 1HD1 ILE 36 1HD1 ILE 36 32.668 -24.188 9.394 262 2HD1 ILE 36 2HD1 ILE 36 33.789 -25.212 10.306 263 3HD1 ILE 36 3HD1 ILE 36 32.067 -25.647 10.221 264 H ASP 37 H ASP 37 29.762 -20.694 13.178 265 HA ASP 37 HA ASP 37 26.945 -21.428 13.809 266 1HB ASP 37 2HB ASP 37 28.463 -18.792 13.523 267 2HB ASP 37 3HB ASP 37 26.726 -18.908 13.755 268 H MET 38 H MET 38 25.379 -21.382 12.312 269 HA MET 38 HA MET 38 25.889 -20.365 9.548 270 1HB MET 38 2HB MET 38 25.058 -23.128 10.476 271 2HB MET 38 3HB MET 38 24.519 -22.523 8.921 272 1HG MET 38 2HG MET 38 27.424 -22.746 9.738 273 2HG MET 38 3HG MET 38 26.541 -23.930 8.786 274 1HE MET 38 1HE MET 38 25.875 -22.057 5.387 275 2HE MET 38 2HE MET 38 25.481 -23.463 6.396 276 3HE MET 38 3HE MET 38 24.761 -21.880 6.753 277 H HIS 39 H HIS 39 24.005 -19.990 8.310 278 HA HIS 39 HA HIS 39 21.442 -19.734 9.807 279 1HB HIS 39 2HB HIS 39 22.829 -17.637 8.110 280 2HB HIS 39 3HB HIS 39 21.088 -17.639 8.375 281 HD1 HIS 39 HD1 HIS 39 20.198 -16.771 10.683 282 HD2 HIS 39 HD2 HIS 39 24.380 -17.195 10.395 283 HE1 HIS 39 HE1 HIS 39 21.182 -15.640 12.755 284 H CYS 40 H CYS 40 19.740 -20.444 8.797 285 HA CYS 40 HA CYS 40 19.774 -22.171 6.605 286 1HB CYS 40 2HB CYS 40 18.143 -22.141 8.439 287 2HB CYS 40 3HB CYS 40 17.534 -20.567 7.908 288 H ASP 41 H ASP 41 20.076 -21.749 4.503 289 HA ASP 41 HA ASP 41 20.048 -19.142 3.334 290 1HB ASP 41 2HB ASP 41 21.411 -21.154 2.637 291 2HB ASP 41 3HB ASP 41 19.947 -21.842 1.934 292 H TYR 42 H TYR 42 17.401 -21.051 4.131 293 HA TYR 42 HA TYR 42 15.615 -20.009 1.984 294 1HB TYR 42 2HB TYR 42 15.449 -22.377 3.892 295 2HB TYR 42 3HB TYR 42 14.189 -21.893 2.793 296 HD1 TYR 42 HD1 TYR 42 14.479 -22.139 0.330 297 HD2 TYR 42 HD2 TYR 42 17.515 -23.474 3.104 298 HE1 TYR 42 HE1 TYR 42 15.598 -23.401 -1.502 299 HE2 TYR 42 HE2 TYR 42 18.666 -24.676 1.250 300 HH TYR 42 HH TYR 42 17.367 -24.707 -2.094 301 H CYS 43 H CYS 43 15.927 -20.335 5.515 302 HA CYS 43 HA CYS 43 13.539 -18.575 5.911 303 1HB CYS 43 2HB CYS 43 14.639 -20.641 7.839 304 2HB CYS 43 3HB CYS 43 13.065 -19.846 7.878 305 H GLY 44 H GLY 44 16.948 -18.574 6.445 306 1HA GLY 44 2HA GLY 44 18.282 -16.983 7.447 307 2HA GLY 44 3HA GLY 44 16.849 -16.128 8.023 308 H ASN 45 H ASN 45 16.220 -19.055 9.171 309 HA ASN 45 HA ASN 45 16.725 -18.611 11.894 310 1HB ASN 45 2HB ASN 45 15.028 -20.135 10.838 311 2HB ASN 45 3HB ASN 45 16.336 -21.213 10.347 312 1HD2 ASN 45 2HD2 ASN 45 15.152 -22.856 11.512 313 2HD2 ASN 45 1HD2 ASN 45 15.331 -22.950 13.267 314 H HIS 46 H HIS 46 18.378 -19.244 13.348 315 HA HIS 46 HA HIS 46 20.986 -19.796 12.130 316 1HB HIS 46 2HB HIS 46 21.826 -19.460 14.435 317 2HB HIS 46 3HB HIS 46 20.893 -18.114 13.807 318 HD1 HIS 46 HD1 HIS 46 19.017 -17.239 15.389 319 HD2 HIS 46 HD2 HIS 46 20.319 -21.155 16.219 320 HE1 HIS 46 HE1 HIS 46 17.825 -17.950 17.525 321 H TYR 47 H TYR 47 22.475 -21.452 12.869 322 HA TYR 47 HA TYR 47 21.466 -23.859 14.203 323 1HB TYR 47 2HB TYR 47 22.280 -23.648 11.279 324 2HB TYR 47 3HB TYR 47 22.656 -25.091 12.194 325 HD1 TYR 47 HD1 TYR 47 20.923 -26.527 13.173 326 HD2 TYR 47 HD2 TYR 47 19.964 -23.275 10.508 327 HE1 TYR 47 HE1 TYR 47 18.737 -27.607 12.647 328 HE2 TYR 47 HE2 TYR 47 17.800 -24.384 9.940 329 HH TYR 47 HH TYR 47 16.504 -26.246 10.229 330 H LEU 48 H LEU 48 23.201 -25.060 15.015 331 HA LEU 48 HA LEU 48 25.872 -23.804 14.816 332 1HB LEU 48 2HB LEU 48 24.936 -23.515 17.025 333 2HB LEU 48 3HB LEU 48 24.320 -25.167 17.056 334 HG LEU 48 HG LEU 48 26.598 -26.052 17.159 335 1HD1 LEU 48 1HD1 LEU 48 27.419 -23.121 17.445 336 2HD1 LEU 48 2HD1 LEU 48 28.465 -24.513 17.781 337 3HD1 LEU 48 3HD1 LEU 48 27.903 -24.214 16.132 338 1HD2 LEU 48 1HD2 LEU 48 25.942 -24.007 19.319 339 2HD2 LEU 48 2HD2 LEU 48 25.301 -25.662 19.213 340 3HD2 LEU 48 3HD2 LEU 48 27.030 -25.402 19.502 341 H PHE 49 H PHE 49 27.588 -25.223 14.295 342 HA PHE 49 HA PHE 49 27.026 -28.146 13.984 343 1HB PHE 49 2HB PHE 49 28.303 -26.268 11.952 344 2HB PHE 49 3HB PHE 49 28.408 -28.014 11.877 345 HD1 PHE 49 HD1 PHE 49 26.582 -29.383 11.087 346 HD2 PHE 49 HD2 PHE 49 26.108 -25.122 11.531 347 HE1 PHE 49 HE1 PHE 49 24.513 -29.464 9.709 348 HE2 PHE 49 HE2 PHE 49 24.045 -25.216 10.138 349 HZ PHE 49 HZ PHE 49 23.246 -27.382 9.233 350 H ASN 50 H ASN 50 28.717 -29.459 14.477 351 HA ASN 50 HA ASN 50 31.275 -28.225 15.445 352 1HB ASN 50 2HB ASN 50 29.883 -30.714 16.518 353 2HB ASN 50 3HB ASN 50 31.301 -29.916 17.184 354 1HD2 ASN 50 2HD2 ASN 50 27.800 -29.725 16.800 355 2HD2 ASN 50 1HD2 ASN 50 27.571 -28.521 18.083 356 H ALA 51 H ALA 51 33.064 -29.971 15.553 357 HA ALA 51 HA ALA 51 33.652 -30.925 12.964 358 1HB ALA 51 1HB ALA 51 35.333 -30.519 14.743 359 2HB ALA 51 2HB ALA 51 34.711 -31.910 15.655 360 3HB ALA 51 3HB ALA 51 35.484 -32.153 14.075 361 H MET 52 H MET 52 32.103 -32.673 15.672 362 HA MET 52 HA MET 52 32.032 -35.251 14.373 363 1HB MET 52 2HB MET 52 30.318 -34.125 16.627 364 2HB MET 52 3HB MET 52 30.358 -35.815 16.126 365 1HG MET 52 2HG MET 52 32.668 -34.213 17.282 366 2HG MET 52 3HG MET 52 31.749 -35.463 18.102 367 1HE MET 52 1HE MET 52 31.978 -38.039 17.698 368 2HE MET 52 2HE MET 52 31.523 -37.857 15.986 369 3HE MET 52 3HE MET 52 32.979 -38.770 16.426 370 H ASP 53 H ASP 53 29.707 -32.508 14.392 371 HA ASP 53 HA ASP 53 27.560 -33.921 13.069 372 1HB ASP 53 2HB ASP 53 28.271 -30.949 13.065 373 2HB ASP 53 3HB ASP 53 26.769 -31.642 12.498 374 H ILE 54 H ILE 54 30.198 -31.796 11.910 375 HA ILE 54 HA ILE 54 29.594 -31.928 9.124 376 HB ILE 54 HB ILE 54 32.089 -31.240 10.705 377 1HG1 ILE 54 2HG1 ILE 54 30.115 -29.494 9.147 378 2HG1 ILE 54 3HG1 ILE 54 29.958 -29.813 10.867 379 1HG2 ILE 54 1HG2 ILE 54 32.827 -31.967 8.473 380 2HG2 ILE 54 2HG2 ILE 54 31.620 -30.905 7.708 381 3HG2 ILE 54 3HG2 ILE 54 32.984 -30.223 8.625 382 1HD1 ILE 54 1HD1 ILE 54 32.198 -28.805 11.261 383 2HD1 ILE 54 2HD1 ILE 54 32.225 -28.294 9.552 384 3HD1 ILE 54 3HD1 ILE 54 30.971 -27.686 10.647 385 H ALA 55 H ALA 55 31.580 -34.054 11.201 386 HA ALA 55 HA ALA 55 32.680 -35.650 9.092 387 1HB ALA 55 1HB ALA 55 32.052 -36.389 11.984 388 2HB ALA 55 2HB ALA 55 33.121 -37.281 10.884 389 3HB ALA 55 3HB ALA 55 33.554 -35.640 11.396 390 H GLU 56 H GLU 56 29.527 -35.870 10.805 391 HA GLU 56 HA GLU 56 28.765 -38.368 9.472 392 1HB GLU 56 2HB GLU 56 27.161 -36.305 11.038 393 2HB GLU 56 3HB GLU 56 26.477 -37.772 10.328 394 1HG GLU 56 2HG GLU 56 28.092 -39.154 11.623 395 2HG GLU 56 3HG GLU 56 28.696 -37.703 12.415 396 H ILE 57 H ILE 57 28.061 -34.887 8.935 397 HA ILE 57 HA ILE 57 26.329 -35.166 6.686 398 HB ILE 57 HB ILE 57 28.247 -32.981 7.554 399 1HG1 ILE 57 2HG1 ILE 57 25.208 -32.915 7.641 400 2HG1 ILE 57 3HG1 ILE 57 26.116 -33.677 8.933 401 1HG2 ILE 57 1HG2 ILE 57 27.908 -32.639 5.152 402 2HG2 ILE 57 2HG2 ILE 57 26.150 -32.832 5.343 403 3HG2 ILE 57 3HG2 ILE 57 26.991 -31.432 6.038 404 1HD1 ILE 57 1HD1 ILE 57 27.350 -31.541 9.328 405 2HD1 ILE 57 2HD1 ILE 57 26.324 -30.754 8.117 406 3HD1 ILE 57 3HD1 ILE 57 25.605 -31.440 9.589 407 H ARG 58 H ARG 58 29.849 -35.142 6.881 408 HA ARG 58 HA ARG 58 30.489 -35.059 4.073 409 1HB ARG 58 2HB ARG 58 32.036 -34.536 5.937 410 2HB ARG 58 3HB ARG 58 32.048 -36.233 6.421 411 1HG ARG 58 2HG ARG 58 33.087 -36.865 4.276 412 2HG ARG 58 3HG ARG 58 33.010 -35.187 3.720 413 1HD ARG 58 2HD ARG 58 34.559 -36.186 6.155 414 2HD ARG 58 3HD ARG 58 35.269 -35.919 4.569 415 HE ARG 58 HE ARG 58 34.580 -33.900 6.560 416 1HH1 ARG 58 1HH1 ARG 58 35.202 -34.277 3.091 417 2HH1 ARG 58 2HH1 ARG 58 35.597 -32.557 2.968 418 1HH2 ARG 58 1HH2 ARG 58 35.133 -31.728 6.161 419 2HH2 ARG 58 2HH2 ARG 58 35.565 -31.293 4.504 420 H ASN 59 H ASN 59 29.471 -37.636 6.140 421 HA ASN 59 HA ASN 59 29.903 -39.722 4.040 422 1HB ASN 59 2HB ASN 59 29.506 -39.848 7.067 423 2HB ASN 59 3HB ASN 59 29.470 -41.267 6.026 424 1HD2 ASN 59 2HD2 ASN 59 31.594 -38.905 7.537 425 2HD2 ASN 59 1HD2 ASN 59 33.071 -39.684 6.977 426 H ASN 60 H ASN 60 27.674 -37.564 4.351 427 HA ASN 60 HA ASN 60 25.461 -37.296 4.212 428 1HB ASN 60 2HB ASN 60 26.131 -38.220 2.004 429 2HB ASN 60 3HB ASN 60 25.699 -39.829 2.570 430 1HD2 ASN 60 2HD2 ASN 60 24.016 -40.153 1.031 431 2HD2 ASN 60 1HD2 ASN 60 22.551 -39.182 1.047 432 H ALA 61 H ALA 61 26.141 -38.360 6.622 433 HA ALA 61 HA ALA 61 23.887 -40.197 7.345 434 1HB ALA 61 1HB ALA 61 25.348 -41.002 9.136 435 2HB ALA 61 2HB ALA 61 26.156 -41.162 7.567 436 3HB ALA 61 3HB ALA 61 26.608 -39.841 8.667 437 H SER 62 H SER 62 23.987 -37.188 7.134 438 HA SER 62 HA SER 62 24.006 -35.648 9.357 439 1HB SER 62 2HB SER 62 21.800 -35.537 7.281 440 2HB SER 62 3HB SER 62 22.486 -34.193 8.214 441 HG SER 62 HG SER 62 23.346 -34.373 6.038 Start of MODEL 16 1 1H MET 1 H1 MET 1 5.903 -30.653 6.434 2 2H MET 1 H2 MET 1 5.980 -29.523 5.252 3 3H MET 1 H3 MET 1 6.893 -29.350 6.591 4 HA MET 1 HA MET 1 3.962 -29.223 6.409 5 1HB MET 1 2HB MET 1 3.806 -28.793 8.758 6 2HB MET 1 3HB MET 1 4.623 -30.326 8.488 7 1HG MET 1 2HG MET 1 6.827 -29.013 8.807 8 2HG MET 1 3HG MET 1 5.821 -27.710 9.442 9 1HE MET 1 1HE MET 1 4.154 -28.138 11.634 10 2HE MET 1 2HE MET 1 3.541 -29.687 11.010 11 3HE MET 1 3HE MET 1 4.249 -29.599 12.635 12 H ASP 2 H ASP 2 3.017 -27.137 6.762 13 HA ASP 2 HA ASP 2 4.559 -25.064 5.442 14 1HB ASP 2 2HB ASP 2 1.688 -25.142 6.456 15 2HB ASP 2 3HB ASP 2 2.356 -23.881 5.421 16 H VAL 3 H VAL 3 5.056 -25.708 8.415 17 HA VAL 3 HA VAL 3 5.395 -22.897 9.290 18 HB VAL 3 HB VAL 3 4.647 -23.481 11.620 19 1HG1 VAL 3 1HG1 VAL 3 3.174 -22.242 10.074 20 2HG1 VAL 3 2HG1 VAL 3 2.443 -23.778 9.557 21 3HG1 VAL 3 3HG1 VAL 3 2.283 -23.237 11.239 22 1HG2 VAL 3 1HG2 VAL 3 3.407 -25.956 10.344 23 2HG2 VAL 3 2HG2 VAL 3 4.801 -25.956 11.452 24 3HG2 VAL 3 3HG2 VAL 3 3.219 -25.403 12.019 25 H GLU 4 H GLU 4 7.273 -24.381 8.180 26 HA GLU 4 HA GLU 4 9.080 -25.538 10.176 27 1HB GLU 4 2HB GLU 4 9.163 -25.163 7.173 28 2HB GLU 4 3HB GLU 4 10.600 -25.678 8.073 29 1HG GLU 4 2HG GLU 4 9.426 -27.572 9.041 30 2HG GLU 4 3HG GLU 4 7.928 -27.081 8.260 31 H PHE 5 H PHE 5 8.532 -22.922 10.931 32 HA PHE 5 HA PHE 5 10.761 -21.160 10.271 33 1HB PHE 5 2HB PHE 5 9.739 -19.757 12.131 34 2HB PHE 5 3HB PHE 5 8.784 -20.072 10.710 35 HD1 PHE 5 HD1 PHE 5 9.290 -21.797 14.073 36 HD2 PHE 5 HD2 PHE 5 6.528 -20.340 11.089 37 HE1 PHE 5 HE1 PHE 5 7.388 -22.556 15.458 38 HE2 PHE 5 HE2 PHE 5 4.628 -21.072 12.503 39 HZ PHE 5 HZ PHE 5 5.052 -22.196 14.681 40 H LYS 6 H LYS 6 11.659 -23.677 11.149 41 HA LYS 6 HA LYS 6 12.650 -23.642 13.875 42 1HB LYS 6 2HB LYS 6 12.007 -25.564 12.173 43 2HB LYS 6 3HB LYS 6 13.691 -25.449 11.692 44 1HG LYS 6 2HG LYS 6 14.084 -25.595 14.368 45 2HG LYS 6 3HG LYS 6 12.459 -26.247 14.357 46 1HD LYS 6 2HD LYS 6 14.121 -28.043 14.344 47 2HD LYS 6 3HD LYS 6 13.160 -28.078 12.866 48 1HE LYS 6 2HE LYS 6 15.571 -28.506 12.448 49 2HE LYS 6 3HE LYS 6 14.966 -27.104 11.572 50 1HZ LYS 6 1HZ LYS 6 16.581 -27.008 14.065 51 2HZ LYS 6 2HZ LYS 6 17.068 -26.572 12.553 52 3HZ LYS 6 3HZ LYS 6 15.942 -25.685 13.317 53 H CYS 7 H CYS 7 13.467 -21.506 12.201 54 HA CYS 7 HA CYS 7 16.408 -21.432 12.672 55 1HB CYS 7 2HB CYS 7 15.611 -21.851 10.165 56 2HB CYS 7 3HB CYS 7 15.190 -20.134 10.211 57 H THR 8 H THR 8 16.832 -19.696 14.017 58 HA THR 8 HA THR 8 14.687 -17.836 14.665 59 HB THR 8 HB THR 8 16.184 -16.911 16.325 60 HG1 THR 8 1HG THR 8 18.248 -17.785 16.581 61 1HG2 THR 8 1HG2 THR 8 16.469 -18.863 17.734 62 2HG2 THR 8 2HG2 THR 8 14.954 -19.024 16.831 63 3HG2 THR 8 3HG2 THR 8 16.386 -19.953 16.334 64 H CYS 9 H CYS 9 17.158 -17.707 12.312 65 HA CYS 9 HA CYS 9 16.978 -14.756 12.076 66 1HB CYS 9 2HB CYS 9 19.117 -14.907 10.962 67 2HB CYS 9 3HB CYS 9 19.186 -15.568 12.597 68 H SER 10 H SER 10 18.273 -16.005 9.311 69 HA SER 10 HA SER 10 15.878 -16.640 7.783 70 1HB SER 10 2HB SER 10 15.624 -14.174 8.067 71 2HB SER 10 3HB SER 10 17.236 -13.933 7.377 72 HG SER 10 HG SER 10 15.409 -13.685 5.896 73 H ARG 11 H ARG 11 16.310 -16.873 5.513 74 HA ARG 11 HA ARG 11 18.646 -18.336 4.746 75 1HB ARG 11 2HB ARG 11 16.351 -18.327 3.699 76 2HB ARG 11 3HB ARG 11 16.686 -16.750 3.010 77 1HG ARG 11 2HG ARG 11 18.500 -17.639 1.644 78 2HG ARG 11 3HG ARG 11 18.386 -19.218 2.434 79 1HD ARG 11 2HD ARG 11 16.101 -19.516 1.554 80 2HD ARG 11 3HD ARG 11 16.152 -17.922 0.804 81 HE ARG 11 HE ARG 11 17.483 -20.388 -0.117 82 1HH1 ARG 11 1HH2 ARG 11 17.338 -16.877 -0.650 83 2HH1 ARG 11 2HH2 ARG 11 18.147 -17.090 -2.208 84 1HH2 ARG 11 1HH1 ARG 11 18.551 -20.394 -2.089 85 2HH2 ARG 11 2HH1 ARG 11 18.755 -18.837 -2.906 86 H GLU 12 H GLU 12 17.875 -14.969 4.689 87 HA GLU 12 HA GLU 12 19.839 -13.897 2.957 88 1HB GLU 12 2HB GLU 12 17.868 -12.736 4.012 89 2HB GLU 12 3HB GLU 12 18.779 -12.637 5.520 90 1HG GLU 12 2HG GLU 12 20.519 -11.282 4.391 91 2HG GLU 12 3HG GLU 12 19.675 -11.456 2.850 92 H ARG 13 H ARG 13 20.207 -14.843 6.417 93 HA ARG 13 HA ARG 13 22.922 -13.764 6.656 94 1HB ARG 13 2HB ARG 13 21.476 -15.912 8.283 95 2HB ARG 13 3HB ARG 13 23.096 -15.300 8.611 96 1HG ARG 13 2HG ARG 13 22.030 -12.943 8.723 97 2HG ARG 13 3HG ARG 13 20.474 -13.800 8.820 98 1HD ARG 13 2HD ARG 13 21.430 -15.113 10.768 99 2HD ARG 13 3HD ARG 13 22.873 -14.093 10.684 100 HE ARG 13 HE ARG 13 20.695 -12.331 10.885 101 1HH1 ARG 13 2HH2 ARG 13 22.180 -14.766 12.904 102 2HH1 ARG 13 1HH2 ARG 13 21.613 -14.033 14.383 103 1HH2 ARG 13 2HH1 ARG 13 20.010 -11.426 12.810 104 2HH2 ARG 13 1HH1 ARG 13 20.425 -12.181 14.320 105 H CYS 14 H CYS 14 21.599 -16.952 5.842 106 HA CYS 14 HA CYS 14 24.120 -18.296 5.503 107 1HB CYS 14 2HB CYS 14 21.761 -19.270 5.775 108 2HB CYS 14 3HB CYS 14 21.501 -18.905 4.060 109 HG CYS 14 HG CYS 14 23.956 -20.688 5.436 110 H ALA 15 H ALA 15 22.042 -16.467 3.254 111 HA ALA 15 HA ALA 15 23.537 -16.824 0.856 112 1HB ALA 15 1HB ALA 15 22.224 -14.950 0.047 113 2HB ALA 15 2HB ALA 15 21.173 -15.925 1.097 114 3HB ALA 15 3HB ALA 15 21.864 -14.408 1.689 115 H ASP 16 H ASP 16 23.731 -14.263 3.388 116 HA ASP 16 HA ASP 16 25.750 -12.686 2.168 117 1HB ASP 16 2HB ASP 16 24.260 -12.040 4.078 118 2HB ASP 16 3HB ASP 16 25.217 -13.075 5.139 119 H ALA 17 H ALA 17 26.027 -15.519 4.329 120 HA ALA 17 HA ALA 17 28.896 -15.451 4.558 121 1HB ALA 17 1HB ALA 17 27.409 -16.650 6.141 122 2HB ALA 17 2HB ALA 17 26.942 -17.783 4.853 123 3HB ALA 17 3HB ALA 17 28.619 -17.738 5.434 124 H LEU 18 H LEU 18 26.736 -16.837 2.061 125 HA LEU 18 HA LEU 18 28.813 -18.354 0.721 126 1HB LEU 18 2HB LEU 18 26.643 -19.196 0.570 127 2HB LEU 18 3HB LEU 18 25.909 -17.620 0.352 128 HG LEU 18 HG LEU 18 26.768 -17.474 -1.900 129 1HD1 LEU 18 1HD1 LEU 18 27.672 -20.371 -1.481 130 2HD1 LEU 18 2HD1 LEU 18 27.583 -19.554 -3.059 131 3HD1 LEU 18 3HD1 LEU 18 28.728 -18.991 -1.846 132 1HD2 LEU 18 1HD2 LEU 18 25.226 -19.144 -2.884 133 2HD2 LEU 18 2HD2 LEU 18 25.174 -20.004 -1.330 134 3HD2 LEU 18 3HD2 LEU 18 24.519 -18.358 -1.463 135 H LYS 19 H LYS 19 27.215 -15.114 0.181 136 HA LYS 19 HA LYS 19 28.356 -14.588 -2.285 137 1HB LYS 19 2HB LYS 19 27.248 -12.673 -2.122 138 2HB LYS 19 3HB LYS 19 26.512 -13.398 -0.720 139 1HG LYS 19 2HG LYS 19 28.271 -12.228 0.702 140 2HG LYS 19 3HG LYS 19 28.817 -11.428 -0.767 141 1HD LYS 19 2HD LYS 19 26.483 -10.468 -1.031 142 2HD LYS 19 3HD LYS 19 26.088 -11.182 0.545 143 1HE LYS 19 2HE LYS 19 28.307 -9.929 1.317 144 2HE LYS 19 3HE LYS 19 28.031 -8.952 -0.130 145 1HZ LYS 19 1HZ LYS 19 26.957 -7.917 1.741 146 2HZ LYS 19 2HZ LYS 19 25.736 -8.536 0.837 147 3HZ LYS 19 3HZ LYS 19 26.239 -9.301 2.209 148 H THR 20 H THR 20 29.996 -14.324 0.828 149 HA THR 20 HA THR 20 32.171 -12.673 -0.240 150 HB THR 20 HB THR 20 33.226 -13.096 1.992 151 HG1 THR 20 1HG THR 20 32.375 -15.020 2.630 152 1HG2 THR 20 1HG2 THR 20 30.336 -12.141 2.135 153 2HG2 THR 20 2HG2 THR 20 31.645 -11.773 3.277 154 3HG2 THR 20 3HG2 THR 20 31.725 -11.158 1.617 155 H LEU 21 H LEU 21 31.542 -16.040 -0.504 156 HA LEU 21 HA LEU 21 34.236 -17.019 -0.283 157 1HB LEU 21 2HB LEU 21 31.794 -18.090 -1.760 158 2HB LEU 21 3HB LEU 21 33.275 -18.990 -1.503 159 HG LEU 21 HG LEU 21 31.420 -18.010 0.709 160 1HD1 LEU 21 1HD1 LEU 21 30.878 -20.377 0.996 161 2HD1 LEU 21 2HD1 LEU 21 30.502 -19.863 -0.654 162 3HD1 LEU 21 3HD1 LEU 21 31.966 -20.816 -0.341 163 1HD2 LEU 21 1HD2 LEU 21 32.784 -19.484 2.181 164 2HD2 LEU 21 2HD2 LEU 21 33.930 -19.739 0.846 165 3HD2 LEU 21 3HD2 LEU 21 33.716 -18.122 1.561 166 HA PRO 22 HA PRO 22 36.207 -15.780 -4.023 167 1HB PRO 22 2HB PRO 22 36.850 -18.678 -4.554 168 2HB PRO 22 3HB PRO 22 37.937 -17.259 -4.584 169 1HG PRO 22 2HG PRO 22 37.936 -18.943 -2.458 170 2HG PRO 22 3HG PRO 22 38.011 -17.169 -2.203 171 1HD PRO 22 2HD PRO 22 35.615 -19.000 -1.985 172 2HD PRO 22 3HD PRO 22 36.133 -17.668 -0.907 173 H ASP 23 H ASP 23 35.516 -15.312 -6.059 174 HA ASP 23 HA ASP 23 33.062 -16.240 -7.107 175 1HB ASP 23 2HB ASP 23 34.237 -14.092 -7.644 176 2HB ASP 23 3HB ASP 23 35.400 -14.991 -8.609 177 H GLU 24 H GLU 24 36.383 -17.238 -7.874 178 HA GLU 24 HA GLU 24 35.822 -19.035 -10.016 179 1HB GLU 24 2HB GLU 24 38.084 -19.309 -7.989 180 2HB GLU 24 3HB GLU 24 38.004 -19.958 -9.621 181 1HG GLU 24 2HG GLU 24 39.268 -18.174 -10.131 182 2HG GLU 24 3HG GLU 24 37.728 -17.337 -10.245 183 H GLU 25 H GLU 25 35.874 -19.631 -6.479 184 HA GLU 25 HA GLU 25 35.482 -22.508 -6.690 185 1HB GLU 25 2HB GLU 25 35.053 -20.533 -4.408 186 2HB GLU 25 3HB GLU 25 34.823 -22.269 -4.250 187 1HG GLU 25 2HG GLU 25 37.459 -20.969 -5.070 188 2HG GLU 25 3HG GLU 25 37.033 -21.415 -3.425 189 H VAL 26 H VAL 26 33.278 -19.735 -6.100 190 HA VAL 26 HA VAL 26 30.855 -21.258 -5.865 191 HB VAL 26 HB VAL 26 31.382 -18.387 -6.727 192 1HG1 VAL 26 1HG1 VAL 26 29.006 -17.929 -6.251 193 2HG1 VAL 26 2HG1 VAL 26 29.169 -19.034 -7.617 194 3HG1 VAL 26 3HG1 VAL 26 28.708 -19.660 -6.017 195 1HG2 VAL 26 1HG2 VAL 26 31.976 -18.950 -4.369 196 2HG2 VAL 26 2HG2 VAL 26 30.596 -17.855 -4.448 197 3HG2 VAL 26 3HG2 VAL 26 30.339 -19.581 -4.114 198 H ASP 27 H ASP 27 32.360 -19.688 -8.741 199 HA ASP 27 HA ASP 27 30.408 -20.570 -10.629 200 1HB ASP 27 2HB ASP 27 32.028 -18.736 -10.996 201 2HB ASP 27 3HB ASP 27 33.350 -19.907 -11.029 202 H SER 28 H SER 28 33.408 -22.176 -9.449 203 HA SER 28 HA SER 28 33.432 -24.309 -11.347 204 1HB SER 28 2HB SER 28 34.436 -24.261 -8.474 205 2HB SER 28 3HB SER 28 34.741 -25.561 -9.638 206 HG SER 28 HG SER 28 35.551 -22.844 -9.791 207 H ILE 29 H ILE 29 31.733 -24.092 -8.164 208 HA ILE 29 HA ILE 29 30.715 -26.779 -8.311 209 HB ILE 29 HB ILE 29 29.621 -24.420 -6.736 210 1HG1 ILE 29 2HG1 ILE 29 31.470 -26.657 -5.773 211 2HG1 ILE 29 3HG1 ILE 29 32.058 -25.077 -6.245 212 1HG2 ILE 29 1HG2 ILE 29 28.582 -26.222 -5.321 213 2HG2 ILE 29 2HG2 ILE 29 27.983 -26.281 -6.969 214 3HG2 ILE 29 3HG2 ILE 29 29.210 -27.445 -6.439 215 1HD1 ILE 29 1HD1 ILE 29 30.622 -24.012 -4.493 216 2HD1 ILE 29 2HD1 ILE 29 30.208 -25.642 -3.907 217 3HD1 ILE 29 3HD1 ILE 29 31.886 -25.088 -3.867 218 H LEU 30 H LEU 30 29.356 -23.590 -9.284 219 HA LEU 30 HA LEU 30 26.828 -24.594 -10.199 220 1HB LEU 30 2HB LEU 30 28.441 -22.154 -11.043 221 2HB LEU 30 3HB LEU 30 26.788 -22.469 -11.562 222 HG LEU 30 HG LEU 30 27.636 -22.111 -8.659 223 1HD1 LEU 30 1HD1 LEU 30 27.887 -20.039 -9.954 224 2HD1 LEU 30 2HD1 LEU 30 26.226 -20.202 -10.564 225 3HD1 LEU 30 3HD1 LEU 30 26.526 -19.917 -8.832 226 1HD2 LEU 30 1HD2 LEU 30 24.886 -22.338 -9.933 227 2HD2 LEU 30 2HD2 LEU 30 25.632 -23.466 -8.773 228 3HD2 LEU 30 3HD2 LEU 30 25.195 -21.847 -8.254 229 H ALA 31 H ALA 31 29.971 -24.346 -11.884 230 HA ALA 31 HA ALA 31 28.990 -25.165 -14.458 231 1HB ALA 31 1HB ALA 31 31.780 -25.339 -13.237 232 2HB ALA 31 2HB ALA 31 31.383 -25.457 -14.964 233 3HB ALA 31 3HB ALA 31 31.103 -23.936 -14.097 234 H GLU 32 H GLU 32 29.458 -27.022 -11.577 235 HA GLU 32 HA GLU 32 29.658 -29.605 -13.084 236 1HB GLU 32 2HB GLU 32 30.323 -28.801 -10.233 237 2HB GLU 32 3HB GLU 32 30.239 -30.478 -10.749 238 1HG GLU 32 2HG GLU 32 32.092 -28.419 -12.024 239 2HG GLU 32 3HG GLU 32 32.550 -29.487 -10.704 240 H ASP 33 H ASP 33 27.537 -27.848 -10.821 241 HA ASP 33 HA ASP 33 25.527 -30.042 -11.151 242 1HB ASP 33 2HB ASP 33 26.947 -30.173 -8.991 243 2HB ASP 33 3HB ASP 33 26.092 -28.728 -8.477 244 H GLY 34 H GLY 34 26.007 -26.668 -11.300 245 1HA GLY 34 2HA GLY 34 24.538 -24.978 -11.794 246 2HA GLY 34 3HA GLY 34 23.226 -26.153 -11.827 247 H GLU 35 H GLU 35 24.504 -26.528 -8.795 248 HA GLU 35 HA GLU 35 23.345 -24.209 -7.466 249 1HB GLU 35 2HB GLU 35 21.705 -25.463 -6.149 250 2HB GLU 35 3HB GLU 35 21.325 -25.510 -7.860 251 1HG GLU 35 2HG GLU 35 22.394 -27.822 -7.948 252 2HG GLU 35 3HG GLU 35 22.565 -27.738 -6.192 253 H ILE 36 H ILE 36 23.599 -24.250 -5.157 254 HA ILE 36 HA ILE 36 25.874 -25.884 -4.135 255 HB ILE 36 HB ILE 36 25.476 -22.892 -3.711 256 1HG1 ILE 36 2HG1 ILE 36 27.332 -24.257 -5.700 257 2HG1 ILE 36 3HG1 ILE 36 25.950 -23.233 -6.072 258 1HG2 ILE 36 1HG2 ILE 36 27.868 -24.703 -3.133 259 2HG2 ILE 36 2HG2 ILE 36 27.772 -22.960 -2.801 260 3HG2 ILE 36 3HG2 ILE 36 26.741 -24.056 -1.918 261 1HD1 ILE 36 1HD1 ILE 36 27.830 -21.892 -6.397 262 2HD1 ILE 36 2HD1 ILE 36 27.090 -21.347 -4.876 263 3HD1 ILE 36 3HD1 ILE 36 28.565 -22.354 -4.854 264 H ASP 37 H ASP 37 25.677 -26.519 -2.094 265 HA ASP 37 HA ASP 37 23.274 -25.767 -0.474 266 1HB ASP 37 2HB ASP 37 23.615 -28.179 -0.923 267 2HB ASP 37 3HB ASP 37 25.227 -28.091 -0.214 268 H MET 38 H MET 38 23.525 -24.504 1.275 269 HA MET 38 HA MET 38 26.271 -24.003 2.356 270 1HB MET 38 2HB MET 38 25.434 -22.221 0.759 271 2HB MET 38 3HB MET 38 24.116 -21.915 1.891 272 1HG MET 38 2HG MET 38 25.847 -20.296 2.261 273 2HG MET 38 3HG MET 38 25.819 -21.361 3.650 274 1HE MET 38 1HE MET 38 29.574 -20.376 3.479 275 2HE MET 38 2HE MET 38 28.112 -19.398 3.232 276 3HE MET 38 3HE MET 38 28.160 -20.602 4.536 277 H HIS 39 H HIS 39 26.408 -23.478 4.533 278 HA HIS 39 HA HIS 39 24.243 -24.611 6.208 279 1HB HIS 39 2HB HIS 39 26.495 -25.589 6.221 280 2HB HIS 39 3HB HIS 39 27.191 -24.037 6.676 281 HD1 HIS 39 HD1 HIS 39 24.242 -26.005 8.364 282 HD2 HIS 39 HD2 HIS 39 28.043 -24.333 9.083 283 HE1 HIS 39 HE1 HIS 39 24.827 -26.554 10.776 284 H CYS 40 H CYS 40 23.319 -23.619 7.904 285 HA CYS 40 HA CYS 40 23.576 -20.695 8.271 286 1HB CYS 40 2HB CYS 40 21.332 -21.728 8.049 287 2HB CYS 40 3HB CYS 40 21.676 -22.768 9.435 288 H ASP 41 H ASP 41 25.665 -20.623 9.246 289 HA ASP 41 HA ASP 41 26.583 -22.235 11.388 290 1HB ASP 41 2HB ASP 41 27.962 -20.732 9.957 291 2HB ASP 41 3HB ASP 41 27.251 -19.332 10.760 292 H TYR 42 H TYR 42 24.308 -19.614 11.444 293 HA TYR 42 HA TYR 42 24.476 -18.845 14.208 294 1HB TYR 42 2HB TYR 42 22.340 -18.512 12.063 295 2HB TYR 42 3HB TYR 42 22.282 -17.758 13.638 296 HD1 TYR 42 HD1 TYR 42 24.080 -16.090 14.306 297 HD2 TYR 42 HD2 TYR 42 23.733 -17.619 10.280 298 HE1 TYR 42 HE1 TYR 42 25.542 -14.247 13.473 299 HE2 TYR 42 HE2 TYR 42 25.259 -15.826 9.473 300 HH TYR 42 HH TYR 42 26.481 -13.968 10.026 301 H CYS 43 H CYS 43 22.379 -21.153 12.478 302 HA CYS 43 HA CYS 43 21.114 -21.955 15.082 303 1HB CYS 43 2HB CYS 43 19.906 -22.099 12.298 304 2HB CYS 43 3HB CYS 43 19.091 -22.384 13.839 305 H GLY 44 H GLY 44 22.734 -23.236 12.230 306 1HA GLY 44 2HA GLY 44 23.793 -25.375 12.289 307 2HA GLY 44 3HA GLY 44 22.511 -26.018 13.311 308 H ASN 45 H ASN 45 20.959 -24.207 11.043 309 HA ASN 45 HA ASN 45 19.938 -26.480 9.539 310 1HB ASN 45 2HB ASN 45 19.431 -23.469 9.363 311 2HB ASN 45 3HB ASN 45 18.478 -24.692 8.531 312 1HD2 ASN 45 2HD2 ASN 45 17.759 -22.681 10.715 313 2HD2 ASN 45 1HD2 ASN 45 16.975 -23.699 11.904 314 H HIS 46 H HIS 46 19.467 -25.657 7.024 315 HA HIS 46 HA HIS 46 21.908 -24.727 5.721 316 1HB HIS 46 2HB HIS 46 22.325 -26.602 4.384 317 2HB HIS 46 3HB HIS 46 22.159 -27.251 6.004 318 HD1 HIS 46 HD1 HIS 46 21.130 -28.004 2.616 319 HD2 HIS 46 HD2 HIS 46 19.352 -28.178 6.437 320 HE1 HIS 46 HE1 HIS 46 19.130 -29.581 2.412 321 H TYR 47 H TYR 47 21.554 -24.413 3.304 322 HA TYR 47 HA TYR 47 18.768 -24.086 2.427 323 1HB TYR 47 2HB TYR 47 20.755 -21.815 2.872 324 2HB TYR 47 3HB TYR 47 19.410 -21.684 1.759 325 HD1 TYR 47 HD1 TYR 47 17.026 -21.913 2.622 326 HD2 TYR 47 HD2 TYR 47 20.428 -21.399 5.224 327 HE1 TYR 47 HE1 TYR 47 15.528 -21.044 4.407 328 HE2 TYR 47 HE2 TYR 47 18.922 -20.521 7.013 329 HH TYR 47 HH TYR 47 15.383 -20.203 6.522 330 H LEU 48 H LEU 48 18.695 -23.659 0.148 331 HA LEU 48 HA LEU 48 21.164 -24.500 -1.268 332 1HB LEU 48 2HB LEU 48 18.213 -25.017 -1.828 333 2HB LEU 48 3HB LEU 48 19.446 -25.303 -3.048 334 HG LEU 48 HG LEU 48 19.566 -26.643 -0.314 335 1HD1 LEU 48 1HD1 LEU 48 18.308 -27.689 -2.884 336 2HD1 LEU 48 2HD1 LEU 48 18.570 -28.622 -1.393 337 3HD1 LEU 48 3HD1 LEU 48 17.441 -27.257 -1.393 338 1HD2 LEU 48 1HD2 LEU 48 21.656 -26.623 -1.696 339 2HD2 LEU 48 2HD2 LEU 48 21.000 -28.251 -1.488 340 3HD2 LEU 48 3HD2 LEU 48 20.769 -27.385 -3.024 341 H PHE 49 H PHE 49 21.800 -23.422 -3.091 342 HA PHE 49 HA PHE 49 20.340 -20.960 -4.015 343 1HB PHE 49 2HB PHE 49 23.291 -21.259 -3.272 344 2HB PHE 49 3HB PHE 49 22.575 -19.857 -4.049 345 HD1 PHE 49 HD1 PHE 49 22.772 -21.768 -0.857 346 HD2 PHE 49 HD2 PHE 49 21.312 -18.219 -2.820 347 HE1 PHE 49 HE1 PHE 49 22.186 -20.780 1.348 348 HE2 PHE 49 HE2 PHE 49 20.689 -17.260 -0.629 349 HZ PHE 49 HZ PHE 49 21.125 -18.537 1.469 350 H ASN 50 H ASN 50 20.523 -20.558 -6.195 351 HA ASN 50 HA ASN 50 22.159 -22.449 -7.841 352 1HB ASN 50 2HB ASN 50 20.360 -22.506 -9.494 353 2HB ASN 50 3HB ASN 50 19.845 -23.127 -7.950 354 1HD2 ASN 50 2HD2 ASN 50 17.712 -22.516 -7.590 355 2HD2 ASN 50 1HD2 ASN 50 17.069 -20.937 -8.013 356 H ALA 51 H ALA 51 22.247 -21.608 -10.169 357 HA ALA 51 HA ALA 51 23.992 -19.404 -10.171 358 1HB ALA 51 1HB ALA 51 23.925 -21.154 -11.910 359 2HB ALA 51 2HB ALA 51 22.355 -20.542 -12.481 360 3HB ALA 51 3HB ALA 51 23.813 -19.538 -12.631 361 H MET 52 H MET 52 20.471 -19.361 -10.917 362 HA MET 52 HA MET 52 20.442 -16.550 -11.652 363 1HB MET 52 2HB MET 52 18.171 -18.407 -10.825 364 2HB MET 52 3HB MET 52 17.977 -16.783 -11.489 365 1HG MET 52 2HG MET 52 19.264 -19.142 -12.915 366 2HG MET 52 3HG MET 52 17.646 -18.508 -13.199 367 1HE MET 52 1HE MET 52 18.241 -18.495 -15.811 368 2HE MET 52 2HE MET 52 19.656 -17.657 -16.487 369 3HE MET 52 3HE MET 52 19.882 -19.071 -15.433 370 H ASP 53 H ASP 53 19.816 -18.301 -8.561 371 HA ASP 53 HA ASP 53 18.909 -15.914 -7.200 372 1HB ASP 53 2HB ASP 53 18.528 -18.408 -6.644 373 2HB ASP 53 3HB ASP 53 20.111 -18.360 -5.871 374 H ILE 54 H ILE 54 22.084 -17.541 -7.479 375 HA ILE 54 HA ILE 54 23.552 -15.761 -5.752 376 HB ILE 54 HB ILE 54 24.318 -17.679 -7.975 377 1HG1 ILE 54 2HG1 ILE 54 24.814 -17.771 -4.959 378 2HG1 ILE 54 3HG1 ILE 54 23.382 -18.464 -5.704 379 1HG2 ILE 54 1HG2 ILE 54 26.053 -15.947 -7.953 380 2HG2 ILE 54 2HG2 ILE 54 26.194 -16.074 -6.183 381 3HG2 ILE 54 3HG2 ILE 54 26.679 -17.422 -7.238 382 1HD1 ILE 54 1HD1 ILE 54 24.786 -19.968 -7.071 383 2HD1 ILE 54 2HD1 ILE 54 26.230 -19.376 -6.215 384 3HD1 ILE 54 3HD1 ILE 54 24.956 -20.229 -5.327 385 H ALA 55 H ALA 55 22.638 -15.631 -9.200 386 HA ALA 55 HA ALA 55 24.247 -13.321 -9.838 387 1HB ALA 55 1HB ALA 55 21.658 -14.302 -11.115 388 2HB ALA 55 2HB ALA 55 22.775 -13.108 -11.796 389 3HB ALA 55 3HB ALA 55 23.307 -14.784 -11.576 390 H GLU 56 H GLU 56 20.949 -13.665 -8.447 391 HA GLU 56 HA GLU 56 20.450 -10.791 -8.444 392 1HB GLU 56 2HB GLU 56 19.103 -13.144 -7.084 393 2HB GLU 56 3HB GLU 56 18.612 -11.479 -6.776 394 1HG GLU 56 2HG GLU 56 18.707 -12.669 -9.581 395 2HG GLU 56 3HG GLU 56 17.289 -12.735 -8.544 396 H ILE 57 H ILE 57 21.845 -13.073 -6.088 397 HA ILE 57 HA ILE 57 22.098 -11.191 -3.915 398 HB ILE 57 HB ILE 57 23.568 -13.720 -4.702 399 1HG1 ILE 57 2HG1 ILE 57 21.798 -13.184 -2.280 400 2HG1 ILE 57 3HG1 ILE 57 21.125 -13.688 -3.821 401 1HG2 ILE 57 1HG2 ILE 57 25.217 -12.389 -3.462 402 2HG2 ILE 57 2HG2 ILE 57 24.025 -12.048 -2.186 403 3HG2 ILE 57 3HG2 ILE 57 24.640 -13.694 -2.438 404 1HD1 ILE 57 1HD1 ILE 57 23.118 -15.315 -2.190 405 2HD1 ILE 57 2HD1 ILE 57 21.380 -15.607 -2.368 406 3HD1 ILE 57 3HD1 ILE 57 22.445 -15.773 -3.771 407 H ARG 58 H ARG 58 24.231 -11.964 -6.692 408 HA ARG 58 HA ARG 58 26.310 -10.039 -6.088 409 1HB ARG 58 2HB ARG 58 25.437 -11.458 -8.623 410 2HB ARG 58 3HB ARG 58 26.793 -10.353 -8.596 411 1HG ARG 58 2HG ARG 58 26.750 -12.689 -6.647 412 2HG ARG 58 3HG ARG 58 27.126 -12.942 -8.345 413 1HD ARG 58 2HD ARG 58 29.234 -12.673 -7.490 414 2HD ARG 58 3HD ARG 58 28.890 -11.072 -8.104 415 HE ARG 58 HE ARG 58 29.013 -10.209 -5.946 416 1HH1 ARG 58 1HH1 ARG 58 29.082 -13.727 -5.657 417 2HH1 ARG 58 2HH1 ARG 58 29.798 -13.601 -4.060 418 1HH2 ARG 58 1HH2 ARG 58 29.774 -10.220 -3.882 419 2HH2 ARG 58 2HH2 ARG 58 30.110 -11.768 -3.112 420 H ASN 59 H ASN 59 23.181 -9.717 -7.714 421 HA ASN 59 HA ASN 59 23.749 -7.042 -8.736 422 1HB ASN 59 2HB ASN 59 21.144 -8.595 -8.410 423 2HB ASN 59 3HB ASN 59 21.232 -6.988 -9.103 424 1HD2 ASN 59 2HD2 ASN 59 20.226 -9.384 -10.446 425 2HD2 ASN 59 1HD2 ASN 59 21.290 -9.575 -11.836 426 H ASN 60 H ASN 60 22.401 -8.353 -5.866 427 HA ASN 60 HA ASN 60 21.430 -5.842 -4.729 428 1HB ASN 60 2HB ASN 60 20.398 -8.047 -4.247 429 2HB ASN 60 3HB ASN 60 21.888 -8.589 -3.475 430 1HD2 ASN 60 2HD2 ASN 60 19.254 -6.163 -3.228 431 2HD2 ASN 60 1HD2 ASN 60 19.433 -5.961 -1.492 432 H ALA 61 H ALA 61 24.406 -7.795 -4.317 433 HA ALA 61 HA ALA 61 25.764 -5.476 -3.068 434 1HB ALA 61 1HB ALA 61 26.611 -6.908 -1.228 435 2HB ALA 61 2HB ALA 61 24.841 -6.758 -1.170 436 3HB ALA 61 3HB ALA 61 25.586 -8.247 -1.801 437 H SER 62 H SER 62 27.939 -5.415 -3.414 438 HA SER 62 HA SER 62 29.138 -6.293 -5.691 439 1HB SER 62 2HB SER 62 30.562 -5.842 -3.044 440 2HB SER 62 3HB SER 62 31.284 -5.730 -4.658 441 HG SER 62 HG SER 62 29.879 -3.983 -5.124 Start of MODEL 17 1 1H MET 1 H1 MET 1 7.057 -6.775 7.204 2 2H MET 1 H2 MET 1 8.192 -6.500 8.352 3 3H MET 1 H3 MET 1 7.617 -5.259 7.451 4 HA MET 1 HA MET 1 8.547 -6.166 5.449 5 1HB MET 1 2HB MET 1 9.879 -4.545 6.742 6 2HB MET 1 3HB MET 1 10.644 -5.859 7.641 7 1HG MET 1 2HG MET 1 11.598 -6.743 5.530 8 2HG MET 1 3HG MET 1 10.774 -5.470 4.620 9 1HE MET 1 1HE MET 1 13.863 -6.117 4.317 10 2HE MET 1 2HE MET 1 13.025 -4.827 3.422 11 3HE MET 1 3HE MET 1 14.541 -4.474 4.280 12 H ASP 2 H ASP 2 10.355 -7.965 8.027 13 HA ASP 2 HA ASP 2 10.794 -10.214 6.302 14 1HB ASP 2 2HB ASP 2 11.860 -11.201 8.218 15 2HB ASP 2 3HB ASP 2 12.327 -9.512 8.099 16 H VAL 3 H VAL 3 10.150 -12.393 6.601 17 HA VAL 3 HA VAL 3 7.901 -13.168 8.261 18 HB VAL 3 HB VAL 3 6.761 -12.015 6.368 19 1HG1 VAL 3 1HG1 VAL 3 8.345 -12.522 4.532 20 2HG1 VAL 3 2HG1 VAL 3 7.851 -14.229 4.585 21 3HG1 VAL 3 3HG1 VAL 3 6.680 -12.974 4.142 22 1HG2 VAL 3 1HG2 VAL 3 5.664 -13.872 7.600 23 2HG2 VAL 3 2HG2 VAL 3 5.098 -13.672 5.937 24 3HG2 VAL 3 3HG2 VAL 3 6.202 -14.998 6.327 25 H GLU 4 H GLU 4 7.603 -15.490 8.263 26 HA GLU 4 HA GLU 4 10.020 -17.013 7.734 27 1HB GLU 4 2HB GLU 4 7.255 -17.751 8.768 28 2HB GLU 4 3HB GLU 4 8.568 -18.914 8.546 29 1HG GLU 4 2HG GLU 4 10.007 -17.617 10.088 30 2HG GLU 4 3HG GLU 4 8.707 -16.449 10.331 31 H PHE 5 H PHE 5 10.473 -17.150 5.572 32 HA PHE 5 HA PHE 5 8.750 -18.906 3.929 33 1HB PHE 5 2HB PHE 5 8.104 -16.534 3.448 34 2HB PHE 5 3HB PHE 5 9.763 -16.196 2.975 35 HD1 PHE 5 HD1 PHE 5 10.465 -16.628 0.719 36 HD2 PHE 5 HD2 PHE 5 6.805 -18.374 2.188 37 HE1 PHE 5 HE1 PHE 5 9.928 -17.425 -1.568 38 HE2 PHE 5 HE2 PHE 5 6.274 -19.180 -0.103 39 HZ PHE 5 HZ PHE 5 7.834 -18.706 -1.984 40 H LYS 6 H LYS 6 9.836 -19.853 2.131 41 HA LYS 6 HA LYS 6 12.414 -20.861 2.656 42 1HB LYS 6 2HB LYS 6 10.454 -21.942 1.492 43 2HB LYS 6 3HB LYS 6 10.766 -20.925 0.083 44 1HG LYS 6 2HG LYS 6 12.976 -21.983 -0.213 45 2HG LYS 6 3HG LYS 6 12.743 -22.938 1.258 46 1HD LYS 6 2HD LYS 6 11.042 -23.105 -1.272 47 2HD LYS 6 3HD LYS 6 12.364 -24.201 -0.848 48 1HE LYS 6 2HE LYS 6 11.132 -24.842 1.241 49 2HE LYS 6 3HE LYS 6 9.779 -23.824 0.729 50 1HZ LYS 6 1HZ LYS 6 9.570 -25.224 -1.261 51 2HZ LYS 6 2HZ LYS 6 10.810 -26.171 -0.774 52 3HZ LYS 6 3HZ LYS 6 9.425 -26.132 0.086 53 H CYS 7 H CYS 7 14.186 -20.823 1.418 54 HA CYS 7 HA CYS 7 15.406 -18.350 0.766 55 1HB CYS 7 2HB CYS 7 16.559 -20.465 1.454 56 2HB CYS 7 3HB CYS 7 16.191 -21.163 -0.126 57 H THR 8 H THR 8 15.592 -17.155 -1.062 58 HA THR 8 HA THR 8 13.932 -17.654 -3.388 59 HB THR 8 HB THR 8 16.056 -15.566 -2.756 60 HG1 THR 8 1HG THR 8 14.214 -14.302 -2.349 61 1HG2 THR 8 1HG2 THR 8 14.878 -14.171 -4.475 62 2HG2 THR 8 2HG2 THR 8 15.774 -15.531 -5.152 63 3HG2 THR 8 3HG2 THR 8 14.001 -15.633 -4.998 64 H CYS 9 H CYS 9 17.197 -18.464 -2.523 65 HA CYS 9 HA CYS 9 17.842 -19.405 -5.261 66 1HB CYS 9 2HB CYS 9 20.243 -18.826 -4.513 67 2HB CYS 9 3HB CYS 9 19.176 -17.554 -5.098 68 H SER 10 H SER 10 20.067 -19.980 -2.689 69 HA SER 10 HA SER 10 19.067 -22.610 -1.899 70 1HB SER 10 2HB SER 10 19.866 -23.042 -4.237 71 2HB SER 10 3HB SER 10 21.470 -22.455 -3.780 72 HG SER 10 HG SER 10 21.147 -24.797 -3.728 73 H ARG 11 H ARG 11 20.651 -23.835 -0.600 74 HA ARG 11 HA ARG 11 21.997 -22.356 1.439 75 1HB ARG 11 2HB ARG 11 21.195 -24.794 1.485 76 2HB ARG 11 3HB ARG 11 22.651 -25.224 0.603 77 1HG ARG 11 2HG ARG 11 24.073 -24.326 2.397 78 2HG ARG 11 3HG ARG 11 22.667 -23.702 3.243 79 1HD ARG 11 2HD ARG 11 23.270 -25.576 4.459 80 2HD ARG 11 3HD ARG 11 21.905 -26.146 3.494 81 HE ARG 11 HE ARG 11 23.726 -27.038 1.891 82 1HH1 ARG 11 1HH1 ARG 11 24.320 -26.983 5.403 83 2HH1 ARG 11 2HH1 ARG 11 25.445 -28.313 5.268 84 1HH2 ARG 11 1HH2 ARG 11 25.228 -28.662 1.882 85 2HH2 ARG 11 2HH2 ARG 11 25.987 -29.159 3.378 86 H GLU 12 H GLU 12 23.059 -23.546 -1.622 87 HA GLU 12 HA GLU 12 25.882 -23.416 -1.389 88 1HB GLU 12 2HB GLU 12 24.505 -24.347 -3.280 89 2HB GLU 12 3HB GLU 12 24.214 -22.699 -3.837 90 1HG GLU 12 2HG GLU 12 26.636 -22.371 -4.194 91 2HG GLU 12 3HG GLU 12 26.973 -23.967 -3.515 92 H ARG 13 H ARG 13 23.568 -20.732 -1.942 93 HA ARG 13 HA ARG 13 25.654 -18.719 -2.411 94 1HB ARG 13 2HB ARG 13 22.754 -18.368 -1.540 95 2HB ARG 13 3HB ARG 13 23.864 -17.089 -2.003 96 1HG ARG 13 2HG ARG 13 22.643 -19.209 -3.773 97 2HG ARG 13 3HG ARG 13 22.481 -17.458 -3.863 98 1HD ARG 13 2HD ARG 13 24.877 -19.140 -4.616 99 2HD ARG 13 3HD ARG 13 23.858 -18.184 -5.686 100 HE ARG 13 HE ARG 13 24.738 -16.140 -4.406 101 1HH1 ARG 13 1HH2 ARG 13 26.804 -18.981 -4.876 102 2HH1 ARG 13 2HH2 ARG 13 28.233 -18.013 -4.509 103 1HH2 ARG 13 2HH1 ARG 13 26.738 -15.067 -4.091 104 2HH2 ARG 13 1HH1 ARG 13 28.192 -16.070 -4.059 105 H CYS 14 H CYS 14 23.841 -19.802 0.421 106 HA CYS 14 HA CYS 14 25.026 -17.973 2.304 107 1HB CYS 14 2HB CYS 14 22.888 -19.356 2.500 108 2HB CYS 14 3HB CYS 14 23.904 -20.750 2.868 109 HG CYS 14 HG CYS 14 22.871 -19.710 5.088 110 H ALA 15 H ALA 15 25.947 -21.223 1.171 111 HA ALA 15 HA ALA 15 28.190 -21.684 2.874 112 1HB ALA 15 1HB ALA 15 27.817 -22.637 -0.001 113 2HB ALA 15 2HB ALA 15 28.784 -23.396 1.270 114 3HB ALA 15 3HB ALA 15 27.012 -23.373 1.391 115 H ASP 16 H ASP 16 27.978 -20.142 -0.367 116 HA ASP 16 HA ASP 16 30.751 -19.562 -0.700 117 1HB ASP 16 2HB ASP 16 28.949 -19.563 -2.447 118 2HB ASP 16 3HB ASP 16 28.320 -18.067 -1.762 119 H ALA 17 H ALA 17 28.142 -17.783 0.949 120 HA ALA 17 HA ALA 17 29.741 -15.450 1.598 121 1HB ALA 17 1HB ALA 17 27.142 -16.475 2.824 122 2HB ALA 17 2HB ALA 17 27.831 -14.852 3.011 123 3HB ALA 17 3HB ALA 17 27.271 -15.395 1.418 124 H LEU 18 H LEU 18 29.168 -18.594 3.272 125 HA LEU 18 HA LEU 18 30.271 -17.831 5.799 126 1HB LEU 18 2HB LEU 18 28.694 -19.612 5.663 127 2HB LEU 18 3HB LEU 18 29.519 -20.363 4.317 128 HG LEU 18 HG LEU 18 31.347 -21.028 5.694 129 1HD1 LEU 18 1HD1 LEU 18 31.110 -21.009 8.221 130 2HD1 LEU 18 2HD1 LEU 18 31.325 -19.393 7.544 131 3HD1 LEU 18 3HD1 LEU 18 29.707 -19.935 8.036 132 1HD2 LEU 18 1HD2 LEU 18 28.648 -21.882 6.797 133 2HD2 LEU 18 2HD2 LEU 18 29.451 -22.553 5.360 134 3HD2 LEU 18 3HD2 LEU 18 30.158 -22.796 6.968 135 H LYS 19 H LYS 19 31.679 -19.435 2.839 136 HA LYS 19 HA LYS 19 34.114 -20.145 3.970 137 1HB LYS 19 2HB LYS 19 34.577 -20.907 1.940 138 2HB LYS 19 3HB LYS 19 32.876 -20.651 1.663 139 1HG LYS 19 2HG LYS 19 33.467 -18.416 0.611 140 2HG LYS 19 3HG LYS 19 35.168 -18.849 0.803 141 1HD LYS 19 2HD LYS 19 34.664 -20.975 -0.525 142 2HD LYS 19 3HD LYS 19 33.089 -20.275 -0.908 143 1HE LYS 19 2HE LYS 19 35.829 -19.101 -1.583 144 2HE LYS 19 3HE LYS 19 34.747 -19.928 -2.708 145 1HZ LYS 19 1HZ LYS 19 34.133 -17.357 -1.355 146 2HZ LYS 19 2HZ LYS 19 34.521 -17.544 -2.932 147 3HZ LYS 19 3HZ LYS 19 33.115 -18.144 -2.360 148 H THR 20 H THR 20 33.201 -16.895 3.060 149 HA THR 20 HA THR 20 35.999 -15.955 2.970 150 HB THR 20 HB THR 20 35.032 -13.732 2.596 151 HG1 THR 20 1HG THR 20 32.804 -13.553 2.347 152 1HG2 THR 20 1HG2 THR 20 35.400 -15.279 0.667 153 2HG2 THR 20 2HG2 THR 20 33.709 -15.818 0.807 154 3HG2 THR 20 3HG2 THR 20 34.079 -14.129 0.400 155 H LEU 21 H LEU 21 33.744 -16.518 5.510 156 HA LEU 21 HA LEU 21 34.514 -14.354 7.262 157 1HB LEU 21 2HB LEU 21 33.331 -17.103 7.861 158 2HB LEU 21 3HB LEU 21 33.405 -15.761 8.981 159 HG LEU 21 HG LEU 21 31.760 -15.842 6.421 160 1HD1 LEU 21 1HD1 LEU 21 29.844 -15.849 7.939 161 2HD1 LEU 21 2HD1 LEU 21 30.895 -17.228 8.285 162 3HD1 LEU 21 3HD1 LEU 21 30.926 -15.809 9.351 163 1HD2 LEU 21 1HD2 LEU 21 31.987 -13.653 8.534 164 2HD2 LEU 21 2HD2 LEU 21 32.462 -13.530 6.822 165 3HD2 LEU 21 3HD2 LEU 21 30.761 -13.718 7.247 166 HA PRO 22 HA PRO 22 38.433 -15.636 8.854 167 1HB PRO 22 2HB PRO 22 37.283 -15.513 11.641 168 2HB PRO 22 3HB PRO 22 38.795 -14.799 11.008 169 1HG PRO 22 2HG PRO 22 36.593 -13.260 11.374 170 2HG PRO 22 3HG PRO 22 37.595 -13.062 9.898 171 1HD PRO 22 2HD PRO 22 34.994 -14.573 10.216 172 2HD PRO 22 3HD PRO 22 35.507 -13.459 8.913 173 H ASP 23 H ASP 23 39.106 -17.684 8.536 174 HA ASP 23 HA ASP 23 37.604 -20.010 8.986 175 1HB ASP 23 2HB ASP 23 39.576 -19.699 7.461 176 2HB ASP 23 3HB ASP 23 40.635 -19.804 8.860 177 H GLU 24 H GLU 24 39.944 -18.465 11.108 178 HA GLU 24 HA GLU 24 40.137 -20.553 13.096 179 1HB GLU 24 2HB GLU 24 40.563 -17.545 13.339 180 2HB GLU 24 3HB GLU 24 40.983 -18.737 14.577 181 1HG GLU 24 2HG GLU 24 42.509 -19.869 12.963 182 2HG GLU 24 3HG GLU 24 42.148 -18.630 11.759 183 H GLU 25 H GLU 25 37.833 -17.814 12.748 184 HA GLU 25 HA GLU 25 36.501 -18.273 15.287 185 1HB GLU 25 2HB GLU 25 36.526 -16.116 13.934 186 2HB GLU 25 3HB GLU 25 35.470 -16.907 12.766 187 1HG GLU 25 2HG GLU 25 34.091 -15.601 14.133 188 2HG GLU 25 3HG GLU 25 33.788 -17.260 14.628 189 H VAL 26 H VAL 26 35.930 -19.245 11.896 190 HA VAL 26 HA VAL 26 33.510 -20.739 12.251 191 HB VAL 26 HB VAL 26 35.789 -20.893 10.247 192 1HG1 VAL 26 1HG1 VAL 26 33.158 -22.389 10.042 193 2HG1 VAL 26 2HG1 VAL 26 34.401 -22.263 8.788 194 3HG1 VAL 26 3HG1 VAL 26 34.755 -23.137 10.278 195 1HG2 VAL 26 1HG2 VAL 26 32.917 -19.899 9.999 196 2HG2 VAL 26 2HG2 VAL 26 34.346 -18.865 10.184 197 3HG2 VAL 26 3HG2 VAL 26 34.162 -19.853 8.732 198 H ASP 27 H ASP 27 36.955 -21.788 12.425 199 HA ASP 27 HA ASP 27 36.359 -24.502 13.108 200 1HB ASP 27 2HB ASP 27 38.608 -23.300 12.318 201 2HB ASP 27 3HB ASP 27 38.902 -23.169 14.046 202 H SER 28 H SER 28 36.815 -21.602 15.147 203 HA SER 28 HA SER 28 36.957 -22.923 17.679 204 1HB SER 28 2HB SER 28 35.881 -20.155 17.006 205 2HB SER 28 3HB SER 28 36.208 -20.763 18.635 206 HG SER 28 HG SER 28 38.079 -20.403 16.515 207 H ILE 29 H ILE 29 34.099 -21.833 15.776 208 HA ILE 29 HA ILE 29 32.188 -22.626 17.778 209 HB ILE 29 HB ILE 29 31.800 -22.254 14.784 210 1HG1 ILE 29 2HG1 ILE 29 31.173 -20.316 17.062 211 2HG1 ILE 29 3HG1 ILE 29 32.633 -20.212 16.105 212 1HG2 ILE 29 1HG2 ILE 29 29.982 -23.598 15.785 213 2HG2 ILE 29 2HG2 ILE 29 29.801 -22.423 17.102 214 3HG2 ILE 29 3HG2 ILE 29 29.372 -21.990 15.439 215 1HD1 ILE 29 1HD1 ILE 29 31.081 -18.627 15.223 216 2HD1 ILE 29 2HD1 ILE 29 31.277 -19.925 14.030 217 3HD1 ILE 29 3HD1 ILE 29 29.813 -19.846 15.042 218 H LEU 30 H LEU 30 33.546 -24.292 14.871 219 HA LEU 30 HA LEU 30 32.037 -26.707 15.169 220 1HB LEU 30 2HB LEU 30 34.789 -26.183 13.976 221 2HB LEU 30 3HB LEU 30 33.986 -27.745 13.911 222 HG LEU 30 HG LEU 30 32.928 -25.181 12.644 223 1HD1 LEU 30 1HD1 LEU 30 34.892 -26.095 11.500 224 2HD1 LEU 30 2HD1 LEU 30 34.163 -27.716 11.481 225 3HD1 LEU 30 3HD1 LEU 30 33.437 -26.399 10.541 226 1HD2 LEU 30 1HD2 LEU 30 31.824 -28.016 12.696 227 2HD2 LEU 30 2HD2 LEU 30 31.026 -26.521 13.246 228 3HD2 LEU 30 3HD2 LEU 30 31.312 -26.780 11.534 229 H ALA 31 H ALA 31 35.074 -25.703 16.727 230 HA ALA 31 HA ALA 31 35.605 -28.211 18.025 231 1HB ALA 31 1HB ALA 31 37.306 -26.474 17.539 232 2HB ALA 31 2HB ALA 31 36.511 -25.378 18.696 233 3HB ALA 31 3HB ALA 31 37.264 -26.881 19.265 234 H GLU 32 H GLU 32 33.078 -26.031 18.697 235 HA GLU 32 HA GLU 32 32.868 -27.003 21.528 236 1HB GLU 32 2HB GLU 32 33.637 -24.630 21.263 237 2HB GLU 32 3HB GLU 32 32.084 -24.250 20.508 238 1HG GLU 32 2HG GLU 32 30.901 -24.817 22.570 239 2HG GLU 32 3HG GLU 32 32.376 -25.481 23.282 240 H ASP 33 H ASP 33 31.083 -26.310 18.540 241 HA ASP 33 HA ASP 33 28.649 -27.613 19.715 242 1HB ASP 33 2HB ASP 33 28.929 -25.185 17.910 243 2HB ASP 33 3HB ASP 33 27.434 -26.090 18.050 244 H GLY 34 H GLY 34 30.956 -27.730 17.110 245 1HA GLY 34 2HA GLY 34 31.192 -29.261 15.412 246 2HA GLY 34 3HA GLY 34 29.777 -30.115 16.017 247 H GLU 35 H GLU 35 28.721 -27.011 15.410 248 HA GLU 35 HA GLU 35 28.398 -27.107 12.528 249 1HB GLU 35 2HB GLU 35 25.944 -27.224 12.538 250 2HB GLU 35 3HB GLU 35 26.644 -28.703 13.176 251 1HG GLU 35 2HG GLU 35 26.177 -27.885 15.509 252 2HG GLU 35 3HG GLU 35 25.442 -26.434 14.831 253 H ILE 36 H ILE 36 27.236 -25.227 11.699 254 HA ILE 36 HA ILE 36 27.035 -22.893 13.556 255 HB ILE 36 HB ILE 36 28.186 -22.752 10.745 256 1HG1 ILE 36 2HG1 ILE 36 29.776 -22.909 13.336 257 2HG1 ILE 36 3HG1 ILE 36 29.700 -24.141 12.081 258 1HG2 ILE 36 1HG2 ILE 36 27.210 -20.652 11.677 259 2HG2 ILE 36 2HG2 ILE 36 28.283 -20.789 13.087 260 3HG2 ILE 36 3HG2 ILE 36 28.940 -20.510 11.460 261 1HD1 ILE 36 1HD1 ILE 36 30.992 -21.424 11.863 262 2HD1 ILE 36 2HD1 ILE 36 31.719 -23.036 11.743 263 3HD1 ILE 36 3HD1 ILE 36 30.633 -22.455 10.453 264 H ASP 37 H ASP 37 25.286 -21.644 13.226 265 HA ASP 37 HA ASP 37 23.419 -22.231 10.996 266 1HB ASP 37 2HB ASP 37 21.750 -21.260 12.402 267 2HB ASP 37 3HB ASP 37 22.545 -22.571 13.253 268 H MET 38 H MET 38 23.189 -20.758 9.412 269 HA MET 38 HA MET 38 23.937 -17.911 9.877 270 1HB MET 38 2HB MET 38 25.910 -19.152 9.010 271 2HB MET 38 3HB MET 38 24.983 -19.620 7.581 272 1HG MET 38 2HG MET 38 24.807 -17.304 6.875 273 2HG MET 38 3HG MET 38 25.494 -16.733 8.403 274 1HE MET 38 1HE MET 38 26.384 -15.988 5.322 275 2HE MET 38 2HE MET 38 27.023 -15.184 6.776 276 3HE MET 38 3HE MET 38 28.141 -15.856 5.569 277 H HIS 39 H HIS 39 22.970 -16.405 8.515 278 HA HIS 39 HA HIS 39 20.490 -17.298 7.132 279 1HB HIS 39 2HB HIS 39 21.486 -14.594 8.107 280 2HB HIS 39 3HB HIS 39 20.053 -14.806 7.109 281 HD1 HIS 39 HD1 HIS 39 17.863 -15.672 8.284 282 HD2 HIS 39 HD2 HIS 39 21.307 -15.564 10.703 283 HE1 HIS 39 HE1 HIS 39 17.066 -16.041 10.689 284 H CYS 40 H CYS 40 20.258 -17.189 4.992 285 HA CYS 40 HA CYS 40 22.351 -17.006 3.162 286 1HB CYS 40 2HB CYS 40 20.120 -18.112 2.876 287 2HB CYS 40 3HB CYS 40 19.379 -16.509 2.715 288 H ASP 41 H ASP 41 23.500 -15.342 2.427 289 HA ASP 41 HA ASP 41 23.113 -12.656 3.210 290 1HB ASP 41 2HB ASP 41 25.256 -13.861 2.628 291 2HB ASP 41 3HB ASP 41 24.827 -13.699 0.925 292 H TYR 42 H TYR 42 21.439 -14.224 0.713 293 HA TYR 42 HA TYR 42 21.048 -11.771 -0.932 294 1HB TYR 42 2HB TYR 42 20.621 -14.741 -1.378 295 2HB TYR 42 3HB TYR 42 20.030 -13.516 -2.474 296 HD1 TYR 42 HD1 TYR 42 23.062 -15.124 -1.077 297 HD2 TYR 42 HD2 TYR 42 21.575 -12.170 -3.851 298 HE1 TYR 42 HE1 TYR 42 25.339 -14.906 -2.069 299 HE2 TYR 42 HE2 TYR 42 23.844 -11.971 -4.858 300 HH TYR 42 HH TYR 42 26.022 -12.650 -4.777 301 H CYS 43 H CYS 43 19.189 -14.134 0.957 302 HA CYS 43 HA CYS 43 16.802 -12.366 0.809 303 1HB CYS 43 2HB CYS 43 15.421 -14.450 0.393 304 2HB CYS 43 3HB CYS 43 16.426 -13.878 -0.943 305 H GLY 44 H GLY 44 18.832 -13.869 2.979 306 1HA GLY 44 2HA GLY 44 18.696 -13.790 5.258 307 2HA GLY 44 3HA GLY 44 17.015 -13.288 5.156 308 H ASN 45 H ASN 45 17.087 -16.197 3.475 309 HA ASN 45 HA ASN 45 15.728 -17.646 5.525 310 1HB ASN 45 2HB ASN 45 15.456 -18.103 3.125 311 2HB ASN 45 3HB ASN 45 17.139 -18.636 3.006 312 1HD2 ASN 45 2HD2 ASN 45 17.663 -20.779 3.703 313 2HD2 ASN 45 1HD2 ASN 45 16.434 -21.870 4.296 314 H HIS 46 H HIS 46 16.426 -19.075 7.137 315 HA HIS 46 HA HIS 46 19.301 -19.088 7.729 316 1HB HIS 46 2HB HIS 46 18.588 -20.271 9.791 317 2HB HIS 46 3HB HIS 46 17.855 -18.695 9.553 318 HD1 HIS 46 HD1 HIS 46 16.749 -22.384 8.859 319 HD2 HIS 46 HD2 HIS 46 15.310 -18.600 10.006 320 HE1 HIS 46 HE1 HIS 46 14.285 -22.702 9.427 321 H TYR 47 H TYR 47 20.706 -20.822 7.797 322 HA TYR 47 HA TYR 47 19.852 -23.510 6.946 323 1HB TYR 47 2HB TYR 47 21.868 -21.674 5.576 324 2HB TYR 47 3HB TYR 47 21.994 -23.416 5.482 325 HD1 TYR 47 HD1 TYR 47 20.673 -20.589 3.846 326 HD2 TYR 47 HD2 TYR 47 19.822 -24.721 4.741 327 HE1 TYR 47 HE1 TYR 47 19.327 -20.780 1.742 328 HE2 TYR 47 HE2 TYR 47 18.433 -24.892 2.687 329 HH TYR 47 HH TYR 47 17.695 -23.849 0.815 330 H LEU 48 H LEU 48 21.465 -25.057 7.450 331 HA LEU 48 HA LEU 48 23.358 -24.159 9.519 332 1HB LEU 48 2HB LEU 48 23.010 -26.088 10.792 333 2HB LEU 48 3HB LEU 48 21.415 -25.484 10.381 334 HG LEU 48 HG LEU 48 22.831 -27.895 9.142 335 1HD1 LEU 48 1HD1 LEU 48 21.105 -29.192 10.300 336 2HD1 LEU 48 2HD1 LEU 48 22.020 -28.210 11.454 337 3HD1 LEU 48 3HD1 LEU 48 20.393 -27.699 10.955 338 1HD2 LEU 48 1HD2 LEU 48 20.605 -28.414 8.111 339 2HD2 LEU 48 2HD2 LEU 48 20.039 -26.797 8.584 340 3HD2 LEU 48 3HD2 LEU 48 21.371 -26.995 7.413 341 H PHE 49 H PHE 49 25.397 -25.087 9.632 342 HA PHE 49 HA PHE 49 26.333 -26.749 7.325 343 1HB PHE 49 2HB PHE 49 27.639 -24.266 8.509 344 2HB PHE 49 3HB PHE 49 28.411 -25.366 7.370 345 HD1 PHE 49 HD1 PHE 49 27.505 -25.657 5.060 346 HD2 PHE 49 HD2 PHE 49 25.981 -22.647 7.747 347 HE1 PHE 49 HE1 PHE 49 26.399 -24.524 3.161 348 HE2 PHE 49 HE2 PHE 49 24.900 -21.492 5.834 349 HZ PHE 49 HZ PHE 49 25.118 -22.425 3.535 350 H ASN 50 H ASN 50 27.375 -28.486 7.922 351 HA ASN 50 HA ASN 50 28.045 -28.927 10.788 352 1HB ASN 50 2HB ASN 50 28.021 -30.846 8.414 353 2HB ASN 50 3HB ASN 50 28.140 -31.285 10.110 354 1HD2 ASN 50 2HD2 ASN 50 25.926 -30.100 7.595 355 2HD2 ASN 50 1HD2 ASN 50 24.472 -30.456 8.533 356 H ALA 51 H ALA 51 30.043 -30.331 11.170 357 HA ALA 51 HA ALA 51 32.434 -29.001 10.378 358 1HB ALA 51 1HB ALA 51 32.204 -30.389 12.424 359 2HB ALA 51 2HB ALA 51 32.045 -31.848 11.421 360 3HB ALA 51 3HB ALA 51 33.565 -30.929 11.424 361 H MET 52 H MET 52 30.799 -31.856 9.012 362 HA MET 52 HA MET 52 32.806 -32.533 7.053 363 1HB MET 52 2HB MET 52 29.818 -33.123 7.181 364 2HB MET 52 3HB MET 52 30.932 -33.820 5.997 365 1HG MET 52 2HG MET 52 32.254 -34.851 7.788 366 2HG MET 52 3HG MET 52 31.195 -34.143 9.011 367 1HE MET 52 1HE MET 52 30.370 -37.949 9.286 368 2HE MET 52 2HE MET 52 31.953 -37.244 8.893 369 3HE MET 52 3HE MET 52 30.926 -36.490 10.135 370 H ASP 53 H ASP 53 29.935 -30.362 6.916 371 HA ASP 53 HA ASP 53 30.031 -29.828 4.085 372 1HB ASP 53 2HB ASP 53 29.051 -28.156 6.449 373 2HB ASP 53 3HB ASP 53 28.871 -27.676 4.786 374 H ILE 54 H ILE 54 31.421 -28.129 6.919 375 HA ILE 54 HA ILE 54 32.784 -26.107 5.399 376 HB ILE 54 HB ILE 54 32.895 -27.095 8.253 377 1HG1 ILE 54 2HG1 ILE 54 32.072 -24.405 7.083 378 2HG1 ILE 54 3HG1 ILE 54 30.939 -25.741 7.125 379 1HG2 ILE 54 1HG2 ILE 54 34.535 -24.833 7.015 380 2HG2 ILE 54 2HG2 ILE 54 34.291 -25.058 8.758 381 3HG2 ILE 54 3HG2 ILE 54 35.154 -26.285 7.838 382 1HD1 ILE 54 1HD1 ILE 54 30.551 -24.281 9.003 383 2HD1 ILE 54 2HD1 ILE 54 31.051 -25.888 9.537 384 3HD1 ILE 54 3HD1 ILE 54 32.206 -24.532 9.598 385 H ALA 55 H ALA 55 33.829 -29.324 6.556 386 HA ALA 55 HA ALA 55 36.576 -29.070 5.789 387 1HB ALA 55 1HB ALA 55 34.805 -31.549 5.891 388 2HB ALA 55 2HB ALA 55 36.578 -31.533 5.831 389 3HB ALA 55 3HB ALA 55 35.739 -30.870 7.245 390 H GLU 56 H GLU 56 33.668 -29.896 3.863 391 HA GLU 56 HA GLU 56 35.173 -30.511 1.426 392 1HB GLU 56 2HB GLU 56 32.233 -29.950 1.967 393 2HB GLU 56 3HB GLU 56 32.893 -30.193 0.346 394 1HG GLU 56 2HG GLU 56 33.777 -32.408 1.016 395 2HG GLU 56 3HG GLU 56 33.083 -32.210 2.622 396 H ILE 57 H ILE 57 33.418 -27.619 2.645 397 HA ILE 57 HA ILE 57 33.909 -25.930 0.395 398 HB ILE 57 HB ILE 57 33.486 -25.374 3.347 399 1HG1 ILE 57 2HG1 ILE 57 31.616 -24.871 0.986 400 2HG1 ILE 57 3HG1 ILE 57 31.626 -26.388 1.864 401 1HG2 ILE 57 1HG2 ILE 57 34.707 -23.431 2.452 402 2HG2 ILE 57 2HG2 ILE 57 33.582 -23.333 1.076 403 3HG2 ILE 57 3HG2 ILE 57 33.030 -23.000 2.731 404 1HD1 ILE 57 1HD1 ILE 57 31.113 -25.143 3.989 405 2HD1 ILE 57 2HD1 ILE 57 30.902 -23.668 3.014 406 3HD1 ILE 57 3HD1 ILE 57 29.848 -25.065 2.753 407 H ARG 58 H ARG 58 35.915 -26.594 3.270 408 HA ARG 58 HA ARG 58 38.076 -24.799 2.725 409 1HB ARG 58 2HB ARG 58 37.778 -27.341 4.355 410 2HB ARG 58 3HB ARG 58 39.341 -26.543 4.210 411 1HG ARG 58 2HG ARG 58 38.534 -24.504 5.189 412 2HG ARG 58 3HG ARG 58 36.859 -25.084 5.206 413 1HD ARG 58 2HD ARG 58 37.405 -26.833 6.797 414 2HD ARG 58 3HD ARG 58 39.138 -26.468 6.680 415 HE ARG 58 HE ARG 58 38.078 -24.064 7.513 416 1HH1 ARG 58 1HH1 ARG 58 38.078 -27.301 8.978 417 2HH1 ARG 58 2HH1 ARG 58 38.109 -26.555 10.578 418 1HH2 ARG 58 1HH2 ARG 58 38.096 -23.374 9.497 419 2HH2 ARG 58 2HH2 ARG 58 38.071 -24.523 10.860 420 H ASN 59 H ASN 59 37.345 -27.745 1.009 421 HA ASN 59 HA ASN 59 40.023 -27.501 -0.290 422 1HB ASN 59 2HB ASN 59 40.479 -29.746 -0.237 423 2HB ASN 59 3HB ASN 59 39.806 -29.468 1.356 424 1HD2 ASN 59 2HD2 ASN 59 37.657 -30.408 1.834 425 2HD2 ASN 59 1HD2 ASN 59 37.055 -31.670 0.764 426 H ASN 60 H ASN 60 36.862 -27.108 -0.904 427 HA ASN 60 HA ASN 60 37.240 -27.616 -3.832 428 1HB ASN 60 2HB ASN 60 35.821 -29.355 -2.685 429 2HB ASN 60 3HB ASN 60 34.685 -28.082 -2.239 430 1HD2 ASN 60 2HD2 ASN 60 36.197 -29.725 -5.047 431 2HD2 ASN 60 1HD2 ASN 60 34.857 -29.384 -6.132 432 H ALA 61 H ALA 61 36.144 -25.382 -1.373 433 HA ALA 61 HA ALA 61 35.302 -23.337 -1.364 434 1HB ALA 61 1HB ALA 61 36.890 -23.048 -3.935 435 2HB ALA 61 2HB ALA 61 36.457 -21.754 -2.800 436 3HB ALA 61 3HB ALA 61 37.565 -23.037 -2.290 437 H SER 62 H SER 62 33.599 -25.274 -2.981 438 HA SER 62 HA SER 62 31.785 -25.355 -4.376 439 1HB SER 62 2HB SER 62 31.056 -23.049 -2.549 440 2HB SER 62 3HB SER 62 29.914 -24.038 -3.484 441 HG SER 62 HG SER 62 30.146 -24.876 -1.361 Start of MODEL 18 1 1H MET 1 H1 MET 1 30.239 -26.479 38.126 2 2H MET 1 H2 MET 1 30.518 -25.007 37.465 3 3H MET 1 H3 MET 1 31.565 -25.619 38.562 4 HA MET 1 HA MET 1 28.780 -24.834 39.092 5 1HB MET 1 2HB MET 1 29.510 -26.773 40.462 6 2HB MET 1 3HB MET 1 30.890 -25.841 41.054 7 1HG MET 1 2HG MET 1 29.036 -25.895 42.669 8 2HG MET 1 3HG MET 1 29.399 -24.253 42.154 9 1HE MET 1 1HE MET 1 26.814 -24.819 43.757 10 2HE MET 1 2HE MET 1 27.211 -23.230 43.062 11 3HE MET 1 3HE MET 1 25.597 -23.929 42.814 12 H ASP 2 H ASP 2 28.446 -22.798 39.938 13 HA ASP 2 HA ASP 2 30.701 -21.059 40.683 14 1HB ASP 2 2HB ASP 2 30.557 -20.844 38.217 15 2HB ASP 2 3HB ASP 2 28.843 -20.448 38.347 16 H VAL 3 H VAL 3 29.986 -19.071 41.683 17 HA VAL 3 HA VAL 3 27.909 -19.456 43.579 18 HB VAL 3 HB VAL 3 29.220 -16.804 42.865 19 1HG1 VAL 3 1HG1 VAL 3 28.875 -16.306 45.265 20 2HG1 VAL 3 2HG1 VAL 3 27.335 -16.624 44.475 21 3HG1 VAL 3 3HG1 VAL 3 28.079 -17.877 45.491 22 1HG2 VAL 3 1HG2 VAL 3 30.884 -17.366 44.646 23 2HG2 VAL 3 2HG2 VAL 3 30.227 -19.015 44.714 24 3HG2 VAL 3 3HG2 VAL 3 31.029 -18.418 43.243 25 H GLU 4 H GLU 4 25.860 -18.738 43.801 26 HA GLU 4 HA GLU 4 24.445 -17.678 41.441 27 1HB GLU 4 2HB GLU 4 23.743 -19.702 42.844 28 2HB GLU 4 3HB GLU 4 23.236 -18.557 44.084 29 1HG GLU 4 2HG GLU 4 21.692 -17.497 42.388 30 2HG GLU 4 3HG GLU 4 22.256 -18.654 41.186 31 H PHE 5 H PHE 5 26.090 -15.757 42.221 32 HA PHE 5 HA PHE 5 24.368 -13.680 43.500 33 1HB PHE 5 2HB PHE 5 26.074 -14.661 45.078 34 2HB PHE 5 3HB PHE 5 27.336 -14.013 44.040 35 HD1 PHE 5 HD1 PHE 5 28.176 -11.852 44.586 36 HD2 PHE 5 HD2 PHE 5 24.216 -12.962 45.889 37 HE1 PHE 5 HE1 PHE 5 27.991 -9.719 45.846 38 HE2 PHE 5 HE2 PHE 5 24.032 -10.824 47.143 39 HZ PHE 5 HZ PHE 5 25.918 -9.200 47.122 40 H LYS 6 H LYS 6 24.578 -14.178 40.792 41 HA LYS 6 HA LYS 6 25.886 -11.703 39.750 42 1HB LYS 6 2HB LYS 6 26.295 -12.937 37.641 43 2HB LYS 6 3HB LYS 6 27.156 -13.572 39.051 44 1HG LYS 6 2HG LYS 6 25.620 -15.443 39.251 45 2HG LYS 6 3HG LYS 6 24.598 -14.804 37.949 46 1HD LYS 6 2HD LYS 6 26.315 -15.159 36.307 47 2HD LYS 6 3HD LYS 6 27.539 -15.519 37.530 48 1HE LYS 6 2HE LYS 6 25.020 -17.201 37.220 49 2HE LYS 6 3HE LYS 6 26.463 -17.493 36.243 50 1HZ LYS 6 1HZ LYS 6 26.492 -17.531 39.223 51 2HZ LYS 6 2HZ LYS 6 26.449 -18.859 38.262 52 3HZ LYS 6 3HZ LYS 6 27.745 -17.856 38.242 53 H CYS 7 H CYS 7 23.208 -12.771 40.456 54 HA CYS 7 HA CYS 7 21.595 -10.879 38.940 55 1HB CYS 7 2HB CYS 7 21.544 -12.872 37.469 56 2HB CYS 7 3HB CYS 7 20.907 -13.853 38.797 57 H THR 8 H THR 8 20.374 -9.918 40.448 58 HA THR 8 HA THR 8 20.249 -10.788 43.169 59 HB THR 8 HB THR 8 20.225 -8.442 42.335 60 HG1 THR 8 1HG THR 8 18.901 -7.720 43.977 61 1HG2 THR 8 1HG2 THR 8 18.446 -8.653 40.594 62 2HG2 THR 8 2HG2 THR 8 17.241 -8.868 41.880 63 3HG2 THR 8 3HG2 THR 8 18.144 -7.345 41.746 64 H CYS 9 H CYS 9 18.210 -11.597 40.529 65 HA CYS 9 HA CYS 9 16.137 -12.804 42.285 66 1HB CYS 9 2HB CYS 9 14.673 -12.242 40.227 67 2HB CYS 9 3HB CYS 9 15.083 -10.962 41.372 68 H SER 10 H SER 10 18.596 -13.666 40.288 69 HA SER 10 HA SER 10 19.286 -15.557 39.308 70 1HB SER 10 2HB SER 10 18.241 -16.462 41.479 71 2HB SER 10 3HB SER 10 16.923 -17.047 40.464 72 HG SER 10 HG SER 10 18.635 -18.587 40.797 73 H ARG 11 H ARG 11 18.725 -17.512 38.031 74 HA ARG 11 HA ARG 11 17.671 -16.888 35.463 75 1HB ARG 11 2HB ARG 11 19.300 -18.771 36.452 76 2HB ARG 11 3HB ARG 11 17.840 -19.743 36.501 77 1HG ARG 11 2HG ARG 11 18.872 -18.295 34.035 78 2HG ARG 11 3HG ARG 11 19.383 -19.907 34.506 79 1HD ARG 11 2HD ARG 11 16.486 -19.267 33.891 80 2HD ARG 11 3HD ARG 11 17.659 -19.661 32.655 81 HE ARG 11 HE ARG 11 16.960 -21.512 34.915 82 1HH1 ARG 11 1HH2 ARG 11 17.769 -21.167 31.469 83 2HH1 ARG 11 2HH2 ARG 11 17.673 -22.920 31.275 84 1HH2 ARG 11 2HH1 ARG 11 16.877 -23.733 34.391 85 2HH2 ARG 11 1HH1 ARG 11 17.205 -24.186 32.717 86 H GLU 12 H GLU 12 16.200 -18.328 38.259 87 HA GLU 12 HA GLU 12 13.875 -19.508 37.202 88 1HB GLU 12 2HB GLU 12 14.736 -19.680 39.511 89 2HB GLU 12 3HB GLU 12 14.186 -18.055 39.867 90 1HG GLU 12 2HG GLU 12 12.344 -20.319 38.963 91 2HG GLU 12 3HG GLU 12 12.758 -20.042 40.650 92 H ARG 13 H ARG 13 14.253 -16.029 38.136 93 HA ARG 13 HA ARG 13 11.516 -15.358 37.371 94 1HB ARG 13 2HB ARG 13 13.985 -13.699 37.958 95 2HB ARG 13 3HB ARG 13 12.465 -12.984 37.450 96 1HG ARG 13 2HG ARG 13 12.812 -14.671 39.967 97 2HG ARG 13 3HG ARG 13 12.761 -12.916 39.865 98 1HD ARG 13 2HD ARG 13 10.646 -13.368 40.563 99 2HD ARG 13 3HD ARG 13 10.454 -13.123 38.828 100 HE ARG 13 HE ARG 13 10.787 -15.905 39.894 101 1HH1 ARG 13 1HH1 ARG 13 8.596 -13.609 38.298 102 2HH1 ARG 13 2HH1 ARG 13 7.575 -14.942 37.779 103 1HH2 ARG 13 1HH2 ARG 13 9.307 -17.417 39.279 104 2HH2 ARG 13 2HH2 ARG 13 7.823 -16.888 38.489 105 H CYS 14 H CYS 14 14.592 -15.306 35.620 106 HA CYS 14 HA CYS 14 13.559 -14.004 33.255 107 1HB CYS 14 2HB CYS 14 15.984 -14.259 33.974 108 2HB CYS 14 3HB CYS 14 15.896 -15.956 33.480 109 HG CYS 14 HG CYS 14 15.269 -13.231 31.668 110 H ALA 15 H ALA 15 13.895 -17.419 34.221 111 HA ALA 15 HA ALA 15 12.933 -18.667 31.841 112 1HB ALA 15 1HB ALA 15 12.825 -19.556 34.767 113 2HB ALA 15 2HB ALA 15 12.596 -20.608 33.365 114 3HB ALA 15 3HB ALA 15 14.169 -19.835 33.646 115 H ASP 16 H ASP 16 11.197 -17.640 34.830 116 HA ASP 16 HA ASP 16 8.610 -18.510 34.017 117 1HB ASP 16 2HB ASP 16 9.354 -17.892 36.331 118 2HB ASP 16 3HB ASP 16 9.312 -16.194 35.855 119 H ALA 17 H ALA 17 10.351 -15.454 33.413 120 HA ALA 17 HA ALA 17 8.122 -14.069 32.208 121 1HB ALA 17 1HB ALA 17 11.128 -13.619 31.927 122 2HB ALA 17 2HB ALA 17 9.848 -12.477 31.476 123 3HB ALA 17 3HB ALA 17 10.078 -12.918 33.178 124 H LEU 18 H LEU 18 10.769 -16.126 30.779 125 HA LEU 18 HA LEU 18 10.234 -15.574 28.064 126 1HB LEU 18 2HB LEU 18 12.332 -16.433 28.828 127 2HB LEU 18 3HB LEU 18 11.569 -17.752 29.699 128 HG LEU 18 HG LEU 18 10.897 -18.811 27.682 129 1HD1 LEU 18 1HD1 LEU 18 11.889 -18.162 25.459 130 2HD1 LEU 18 2HD1 LEU 18 10.769 -16.935 26.060 131 3HD1 LEU 18 3HD1 LEU 18 12.519 -16.677 26.200 132 1HD2 LEU 18 1HD2 LEU 18 13.860 -18.154 27.759 133 2HD2 LEU 18 2HD2 LEU 18 13.031 -19.411 28.703 134 3HD2 LEU 18 3HD2 LEU 18 13.150 -19.562 26.940 135 H LYS 19 H LYS 19 8.866 -18.121 30.250 136 HA LYS 19 HA LYS 19 7.552 -19.604 28.268 137 1HB LYS 19 2HB LYS 19 6.954 -20.847 30.032 138 2HB LYS 19 3HB LYS 19 8.093 -19.861 30.910 139 1HG LYS 19 2HG LYS 19 6.080 -18.323 31.479 140 2HG LYS 19 3HG LYS 19 5.079 -19.623 30.835 141 1HD LYS 19 2HD LYS 19 6.254 -21.181 32.513 142 2HD LYS 19 3HD LYS 19 6.966 -19.706 33.205 143 1HE LYS 19 2HE LYS 19 4.525 -18.825 33.350 144 2HE LYS 19 3HE LYS 19 4.038 -20.499 33.034 145 1HZ LYS 19 1HZ LYS 19 5.586 -21.020 35.004 146 2HZ LYS 19 2HZ LYS 19 5.518 -19.426 35.354 147 3HZ LYS 19 3HZ LYS 19 4.140 -20.381 35.346 148 H THR 20 H THR 20 6.666 -16.485 29.469 149 HA THR 20 HA THR 20 3.820 -16.657 28.964 150 HB THR 20 HB THR 20 3.710 -14.305 29.262 151 HG1 THR 20 1HG THR 20 6.542 -14.174 29.316 152 1HG2 THR 20 1HG2 THR 20 4.710 -13.995 31.451 153 2HG2 THR 20 2HG2 THR 20 4.083 -15.649 31.316 154 3HG2 THR 20 3HG2 THR 20 5.826 -15.350 31.190 155 H LEU 21 H LEU 21 6.532 -16.166 26.810 156 HA LEU 21 HA LEU 21 5.125 -14.769 24.726 157 1HB LEU 21 2HB LEU 21 7.604 -16.541 24.685 158 2HB LEU 21 3HB LEU 21 7.057 -15.551 23.343 159 HG LEU 21 HG LEU 21 7.998 -14.501 26.049 160 1HD1 LEU 21 1HD1 LEU 21 9.923 -13.668 24.781 161 2HD1 LEU 21 2HD1 LEU 21 9.787 -15.426 24.604 162 3HD1 LEU 21 3HD1 LEU 21 9.268 -14.364 23.281 163 1HD2 LEU 21 1HD2 LEU 21 7.957 -12.270 24.930 164 2HD2 LEU 21 2HD2 LEU 21 7.140 -13.002 23.531 165 3HD2 LEU 21 3HD2 LEU 21 6.341 -12.950 25.121 166 HA PRO 22 HA PRO 22 2.615 -18.067 23.073 167 1HB PRO 22 2HB PRO 22 3.424 -16.990 20.369 168 2HB PRO 22 3HB PRO 22 1.794 -17.423 20.970 169 1HG PRO 22 2HG PRO 22 2.552 -14.829 20.871 170 2HG PRO 22 3HG PRO 22 1.687 -15.449 22.312 171 1HD PRO 22 2HD PRO 22 4.665 -15.002 21.970 172 2HD PRO 22 3HD PRO 22 3.594 -14.565 23.338 173 H ASP 23 H ASP 23 3.095 -20.179 22.798 174 HA ASP 23 HA ASP 23 5.691 -21.188 22.515 175 1HB ASP 23 2HB ASP 23 3.611 -22.311 23.429 176 2HB ASP 23 3HB ASP 23 3.129 -22.648 21.773 177 H GLU 24 H GLU 24 3.286 -20.606 19.998 178 HA GLU 24 HA GLU 24 4.604 -21.921 17.812 179 1HB GLU 24 2HB GLU 24 2.235 -21.202 17.832 180 2HB GLU 24 3HB GLU 24 2.739 -19.507 17.817 181 1HG GLU 24 2HG GLU 24 3.782 -19.822 15.596 182 2HG GLU 24 3HG GLU 24 3.381 -21.542 15.637 183 H GLU 25 H GLU 25 4.910 -18.532 19.032 184 HA GLU 25 HA GLU 25 6.793 -17.745 16.945 185 1HB GLU 25 2HB GLU 25 6.148 -16.462 19.636 186 2HB GLU 25 3HB GLU 25 7.232 -15.791 18.410 187 1HG GLU 25 2HG GLU 25 5.273 -15.951 16.760 188 2HG GLU 25 3HG GLU 25 4.239 -16.257 18.155 189 H VAL 26 H VAL 26 7.106 -18.980 20.271 190 HA VAL 26 HA VAL 26 9.968 -18.763 20.492 191 HB VAL 26 HB VAL 26 7.934 -20.602 21.810 192 1HG1 VAL 26 1HG1 VAL 26 9.654 -21.100 23.509 193 2HG1 VAL 26 2HG1 VAL 26 10.098 -21.758 21.934 194 3HG1 VAL 26 3HG1 VAL 26 10.872 -20.269 22.522 195 1HG2 VAL 26 1HG2 VAL 26 8.292 -19.140 23.757 196 2HG2 VAL 26 2HG2 VAL 26 9.489 -18.188 22.852 197 3HG2 VAL 26 3HG2 VAL 26 7.782 -18.173 22.371 198 H ASP 27 H ASP 27 7.871 -21.419 19.278 199 HA ASP 27 HA ASP 27 9.961 -23.235 18.608 200 1HB ASP 27 2HB ASP 27 7.581 -23.842 18.806 201 2HB ASP 27 3HB ASP 27 7.206 -22.892 17.368 202 H SER 28 H SER 28 8.514 -20.544 16.667 203 HA SER 28 HA SER 28 9.865 -21.133 14.224 204 1HB SER 28 2HB SER 28 9.006 -18.443 15.361 205 2HB SER 28 3HB SER 28 9.587 -18.701 13.712 206 HG SER 28 HG SER 28 7.836 -20.103 13.344 207 H ILE 29 H ILE 29 10.993 -19.227 17.065 208 HA ILE 29 HA ILE 29 13.470 -18.421 15.841 209 HB ILE 29 HB ILE 29 12.737 -18.630 18.789 210 1HG1 ILE 29 2HG1 ILE 29 12.754 -16.185 16.952 211 2HG1 ILE 29 3HG1 ILE 29 11.300 -17.070 17.372 212 1HG2 ILE 29 1HG2 ILE 29 15.046 -17.195 17.381 213 2HG2 ILE 29 2HG2 ILE 29 14.650 -17.023 19.099 214 3HG2 ILE 29 3HG2 ILE 29 15.190 -18.576 18.488 215 1HD1 ILE 29 1HD1 ILE 29 11.384 -15.159 18.784 216 2HD1 ILE 29 2HD1 ILE 29 11.704 -16.580 19.796 217 3HD1 ILE 29 3HD1 ILE 29 13.037 -15.504 19.304 218 H LEU 30 H LEU 30 12.583 -21.134 18.028 219 HA LEU 30 HA LEU 30 15.192 -22.300 18.197 220 1HB LEU 30 2HB LEU 30 12.417 -23.528 18.394 221 2HB LEU 30 3HB LEU 30 13.896 -24.402 18.770 222 HG LEU 30 HG LEU 30 13.045 -21.857 20.221 223 1HD1 LEU 30 1HD1 LEU 30 12.363 -23.363 22.050 224 2HD1 LEU 30 2HD1 LEU 30 11.417 -23.665 20.589 225 3HD1 LEU 30 3HD1 LEU 30 12.729 -24.776 21.032 226 1HD2 LEU 30 1HD2 LEU 30 15.164 -23.947 20.855 227 2HD2 LEU 30 2HD2 LEU 30 15.441 -22.247 20.406 228 3HD2 LEU 30 3HD2 LEU 30 14.658 -22.630 21.939 229 H ALA 31 H ALA 31 12.646 -22.677 15.722 230 HA ALA 31 HA ALA 31 13.892 -24.802 14.279 231 1HB ALA 31 1HB ALA 31 11.905 -22.688 13.348 232 2HB ALA 31 2HB ALA 31 12.260 -24.226 12.536 233 3HB ALA 31 3HB ALA 31 11.499 -24.231 14.136 234 H GLU 32 H GLU 32 14.959 -21.523 14.468 235 HA GLU 32 HA GLU 32 16.575 -21.910 11.971 236 1HB GLU 32 2HB GLU 32 16.485 -19.597 11.480 237 2HB GLU 32 3HB GLU 32 14.843 -20.212 11.629 238 1HG GLU 32 2HG GLU 32 14.613 -19.180 13.841 239 2HG GLU 32 3HG GLU 32 16.305 -18.688 13.836 240 H ASP 33 H ASP 33 16.827 -21.469 15.352 241 HA ASP 33 HA ASP 33 19.771 -21.122 15.033 242 1HB ASP 33 2HB ASP 33 18.527 -18.904 15.501 243 2HB ASP 33 3HB ASP 33 18.215 -19.550 17.106 244 H GLY 34 H GLY 34 17.208 -22.733 16.707 245 1HA GLY 34 2HA GLY 34 17.259 -24.490 18.162 246 2HA GLY 34 3HA GLY 34 19.018 -24.486 18.074 247 H GLU 35 H GLU 35 18.328 -21.419 19.096 248 HA GLU 35 HA GLU 35 17.753 -21.903 21.907 249 1HB GLU 35 2HB GLU 35 19.888 -21.026 22.753 250 2HB GLU 35 3HB GLU 35 20.108 -22.530 21.879 251 1HG GLU 35 2HG GLU 35 20.878 -21.211 19.878 252 2HG GLU 35 3HG GLU 35 20.693 -19.730 20.823 253 H ILE 36 H ILE 36 17.895 -19.876 23.180 254 HA ILE 36 HA ILE 36 17.299 -17.395 21.631 255 HB ILE 36 HB ILE 36 15.722 -18.540 23.976 256 1HG1 ILE 36 2HG1 ILE 36 14.899 -18.284 21.049 257 2HG1 ILE 36 3HG1 ILE 36 15.307 -19.792 21.865 258 1HG2 ILE 36 1HG2 ILE 36 15.208 -16.037 22.300 259 2HG2 ILE 36 2HG2 ILE 36 14.173 -16.647 23.609 260 3HG2 ILE 36 3HG2 ILE 36 15.776 -16.055 23.985 261 1HD1 ILE 36 1HD1 ILE 36 12.885 -18.079 22.382 262 2HD1 ILE 36 2HD1 ILE 36 13.000 -19.754 21.801 263 3HD1 ILE 36 3HD1 ILE 36 13.438 -19.366 23.484 264 H ASP 37 H ASP 37 18.308 -15.680 22.381 265 HA ASP 37 HA ASP 37 19.776 -15.694 24.979 266 1HB ASP 37 2HB ASP 37 21.074 -15.016 23.037 267 2HB ASP 37 3HB ASP 37 19.829 -13.870 22.539 268 H MET 38 H MET 38 18.421 -15.237 26.607 269 HA MET 38 HA MET 38 16.294 -13.177 26.228 270 1HB MET 38 2HB MET 38 16.156 -15.841 27.146 271 2HB MET 38 3HB MET 38 16.038 -14.863 28.605 272 1HG MET 38 2HG MET 38 14.305 -14.696 26.114 273 2HG MET 38 3HG MET 38 13.856 -15.350 27.686 274 1HE MET 38 1HE MET 38 11.491 -12.285 27.511 275 2HE MET 38 2HE MET 38 11.881 -13.579 26.353 276 3HE MET 38 3HE MET 38 11.649 -13.958 28.078 277 H HIS 39 H HIS 39 15.821 -11.736 27.927 278 HA HIS 39 HA HIS 39 18.106 -11.147 29.754 279 1HB HIS 39 2HB HIS 39 16.390 -9.252 28.129 280 2HB HIS 39 3HB HIS 39 17.340 -8.740 29.522 281 HD1 HIS 39 HD1 HIS 39 17.935 -10.143 25.964 282 HD2 HIS 39 HD2 HIS 39 19.945 -8.450 29.252 283 HE1 HIS 39 HE1 HIS 39 20.306 -9.650 25.172 284 H CYS 40 H CYS 40 17.732 -10.782 31.759 285 HA CYS 40 HA CYS 40 15.237 -11.480 33.038 286 1HB CYS 40 2HB CYS 40 17.637 -12.039 33.751 287 2HB CYS 40 3HB CYS 40 17.814 -10.339 34.202 288 H ASP 41 H ASP 41 13.804 -9.833 32.237 289 HA ASP 41 HA ASP 41 14.130 -7.081 32.166 290 1HB ASP 41 2HB ASP 41 12.255 -8.418 31.221 291 2HB ASP 41 3HB ASP 41 11.591 -8.612 32.843 292 H TYR 42 H TYR 42 13.750 -8.962 35.016 293 HA TYR 42 HA TYR 42 12.740 -7.070 36.902 294 1HB TYR 42 2HB TYR 42 14.423 -9.593 37.098 295 2HB TYR 42 3HB TYR 42 13.831 -8.724 38.490 296 HD1 TYR 42 HD1 TYR 42 12.817 -10.710 35.495 297 HD2 TYR 42 HD2 TYR 42 11.507 -8.919 39.199 298 HE1 TYR 42 HE1 TYR 42 10.657 -11.920 35.312 299 HE2 TYR 42 HE2 TYR 42 9.353 -10.170 39.030 300 HH TYR 42 HH TYR 42 8.600 -12.286 36.238 301 H CYS 43 H CYS 43 16.046 -7.758 35.792 302 HA CYS 43 HA CYS 43 17.051 -5.408 37.332 303 1HB CYS 43 2HB CYS 43 18.975 -6.682 38.111 304 2HB CYS 43 3HB CYS 43 17.465 -7.405 38.683 305 H GLY 44 H GLY 44 17.521 -7.459 34.478 306 1HA GLY 44 2HA GLY 44 18.202 -6.266 32.450 307 2HA GLY 44 3HA GLY 44 19.462 -5.451 33.368 308 H ASN 45 H ASN 45 19.571 -8.580 34.504 309 HA ASN 45 HA ASN 45 22.008 -9.217 33.134 310 1HB ASN 45 2HB ASN 45 21.373 -9.931 35.462 311 2HB ASN 45 3HB ASN 45 20.173 -11.024 34.770 312 1HD2 ASN 45 2HD2 ASN 45 21.092 -13.021 35.349 313 2HD2 ASN 45 1HD2 ASN 45 22.684 -13.507 34.800 314 H HIS 46 H HIS 46 22.374 -11.397 31.995 315 HA HIS 46 HA HIS 46 20.203 -12.012 30.025 316 1HB HIS 46 2HB HIS 46 22.079 -12.414 28.413 317 2HB HIS 46 3HB HIS 46 21.844 -10.741 28.898 318 HD1 HIS 46 HD1 HIS 46 23.996 -13.390 30.783 319 HD2 HIS 46 HD2 HIS 46 24.167 -9.645 28.890 320 HE1 HIS 46 HE1 HIS 46 26.380 -12.534 31.117 321 H TYR 47 H TYR 47 20.033 -14.178 29.240 322 HA TYR 47 HA TYR 47 21.646 -16.316 30.436 323 1HB TYR 47 2HB TYR 47 18.667 -15.874 30.909 324 2HB TYR 47 3HB TYR 47 19.408 -17.454 31.030 325 HD1 TYR 47 HD1 TYR 47 18.493 -14.575 32.861 326 HD2 TYR 47 HD2 TYR 47 21.532 -17.622 32.620 327 HE1 TYR 47 HE1 TYR 47 18.987 -14.281 35.302 328 HE2 TYR 47 HE2 TYR 47 22.054 -17.303 35.032 329 HH TYR 47 HH TYR 47 21.531 -16.204 36.951 330 H LEU 48 H LEU 48 21.369 -18.280 29.286 331 HA LEU 48 HA LEU 48 20.121 -17.921 26.614 332 1HB LEU 48 2HB LEU 48 22.300 -19.861 27.512 333 2HB LEU 48 3HB LEU 48 21.652 -19.746 25.880 334 HG LEU 48 HG LEU 48 23.232 -17.563 27.314 335 1HD1 LEU 48 1HD1 LEU 48 24.582 -19.532 26.689 336 2HD1 LEU 48 2HD1 LEU 48 23.993 -19.410 25.015 337 3HD1 LEU 48 3HD1 LEU 48 25.000 -18.118 25.708 338 1HD2 LEU 48 1HD2 LEU 48 21.696 -16.538 25.727 339 2HD2 LEU 48 2HD2 LEU 48 23.326 -16.499 25.057 340 3HD2 LEU 48 3HD2 LEU 48 22.159 -17.702 24.461 341 H PHE 49 H PHE 49 18.687 -19.426 25.825 342 HA PHE 49 HA PHE 49 17.880 -21.758 27.530 343 1HB PHE 49 2HB PHE 49 16.053 -19.672 26.271 344 2HB PHE 49 3HB PHE 49 15.515 -21.183 26.981 345 HD1 PHE 49 HD1 PHE 49 15.298 -21.462 29.372 346 HD2 PHE 49 HD2 PHE 49 17.037 -17.875 27.732 347 HE1 PHE 49 HE1 PHE 49 15.041 -20.330 31.563 348 HE2 PHE 49 HE2 PHE 49 16.759 -16.741 29.923 349 HZ PHE 49 HZ PHE 49 15.750 -17.957 31.838 350 H ASN 50 H ASN 50 17.095 -23.498 26.433 351 HA ASN 50 HA ASN 50 17.163 -23.502 23.447 352 1HB ASN 50 2HB ASN 50 18.285 -25.712 23.563 353 2HB ASN 50 3HB ASN 50 19.264 -24.442 24.256 354 1HD2 ASN 50 2HD2 ASN 50 19.783 -24.586 26.528 355 2HD2 ASN 50 1HD2 ASN 50 19.163 -25.895 27.538 356 H ALA 51 H ALA 51 16.242 -25.674 22.683 357 HA ALA 51 HA ALA 51 13.471 -25.704 23.221 358 1HB ALA 51 1HB ALA 51 15.221 -27.912 22.047 359 2HB ALA 51 2HB ALA 51 13.460 -27.764 21.864 360 3HB ALA 51 3HB ALA 51 14.528 -26.541 21.147 361 H MET 52 H MET 52 15.994 -27.860 24.624 362 HA MET 52 HA MET 52 14.079 -29.495 26.066 363 1HB MET 52 2HB MET 52 17.078 -29.220 26.511 364 2HB MET 52 3HB MET 52 16.025 -30.477 27.162 365 1HG MET 52 2HG MET 52 16.622 -29.972 24.222 366 2HG MET 52 3HG MET 52 17.257 -31.287 25.201 367 1HE MET 52 1HE MET 52 16.396 -32.562 22.829 368 2HE MET 52 2HE MET 52 14.673 -32.694 22.409 369 3HE MET 52 3HE MET 52 15.496 -31.126 22.287 370 H ASP 53 H ASP 53 16.079 -26.655 26.994 371 HA ASP 53 HA ASP 53 15.309 -26.661 29.781 372 1HB ASP 53 2HB ASP 53 16.529 -24.684 27.872 373 2HB ASP 53 3HB ASP 53 15.725 -24.029 29.286 374 H ILE 54 H ILE 54 13.852 -25.114 26.890 375 HA ILE 54 HA ILE 54 11.690 -23.824 28.282 376 HB ILE 54 HB ILE 54 12.200 -24.600 25.396 377 1HG1 ILE 54 2HG1 ILE 54 12.088 -21.861 26.751 378 2HG1 ILE 54 3HG1 ILE 54 13.574 -22.787 26.642 379 1HG2 ILE 54 1HG2 ILE 54 10.295 -23.131 24.778 380 2HG2 ILE 54 2HG2 ILE 54 9.763 -24.550 25.668 381 3HG2 ILE 54 3HG2 ILE 54 9.863 -22.978 26.497 382 1HD1 ILE 54 1HD1 ILE 54 12.007 -21.682 24.299 383 2HD1 ILE 54 2HD1 ILE 54 13.609 -21.203 24.883 384 3HD1 ILE 54 3HD1 ILE 54 13.386 -22.799 24.151 385 H ALA 55 H ALA 55 11.986 -27.075 26.773 386 HA ALA 55 HA ALA 55 9.271 -27.870 27.249 387 1HB ALA 55 1HB ALA 55 10.768 -29.026 25.671 388 2HB ALA 55 2HB ALA 55 11.799 -29.558 27.019 389 3HB ALA 55 3HB ALA 55 10.131 -30.147 26.889 390 H GLU 56 H GLU 56 12.189 -27.988 29.337 391 HA GLU 56 HA GLU 56 10.914 -29.457 31.505 392 1HB GLU 56 2HB GLU 56 13.391 -27.700 31.326 393 2HB GLU 56 3HB GLU 56 12.853 -28.404 32.845 394 1HG GLU 56 2HG GLU 56 13.395 -30.120 30.389 395 2HG GLU 56 3HG GLU 56 14.658 -29.655 31.521 396 H ILE 57 H ILE 57 11.386 -25.956 30.817 397 HA ILE 57 HA ILE 57 10.164 -24.944 33.190 398 HB ILE 57 HB ILE 57 10.521 -23.883 30.377 399 1HG1 ILE 57 2HG1 ILE 57 11.731 -22.895 32.991 400 2HG1 ILE 57 3HG1 ILE 57 12.453 -24.203 32.074 401 1HG2 ILE 57 1HG2 ILE 57 9.321 -22.308 32.701 402 2HG2 ILE 57 2HG2 ILE 57 9.845 -21.627 31.153 403 3HG2 ILE 57 3HG2 ILE 57 8.493 -22.745 31.189 404 1HD1 ILE 57 1HD1 ILE 57 12.677 -22.706 30.087 405 2HD1 ILE 57 2HD1 ILE 57 12.079 -21.353 31.072 406 3HD1 ILE 57 3HD1 ILE 57 13.589 -22.171 31.505 407 H ARG 58 H ARG 58 8.745 -25.915 30.087 408 HA ARG 58 HA ARG 58 5.984 -25.310 30.685 409 1HB ARG 58 2HB ARG 58 7.432 -27.018 28.630 410 2HB ARG 58 3HB ARG 58 5.681 -27.083 28.770 411 1HG ARG 58 2HG ARG 58 5.484 -24.681 28.343 412 2HG ARG 58 3HG ARG 58 7.243 -24.516 28.273 413 1HD ARG 58 2HD ARG 58 6.186 -24.586 26.022 414 2HD ARG 58 3HD ARG 58 7.369 -25.878 26.274 415 HE ARG 58 HE ARG 58 4.850 -26.932 26.987 416 1HH1 ARG 58 1HH1 ARG 58 5.978 -25.586 23.954 417 2HH1 ARG 58 2HH1 ARG 58 5.387 -26.929 23.046 418 1HH2 ARG 58 1HH2 ARG 58 3.960 -28.523 25.719 419 2HH2 ARG 58 2HH2 ARG 58 4.206 -28.494 23.999 420 H ASN 59 H ASN 59 7.895 -27.821 32.010 421 HA ASN 59 HA ASN 59 5.419 -29.297 32.820 422 1HB ASN 59 2HB ASN 59 8.069 -30.422 31.814 423 2HB ASN 59 3HB ASN 59 6.866 -31.396 32.650 424 1HD2 ASN 59 2HD2 ASN 59 7.666 -29.870 29.609 425 2HD2 ASN 59 1HD2 ASN 59 6.273 -30.524 28.743 426 H ASN 60 H ASN 60 8.016 -27.627 34.006 427 HA ASN 60 HA ASN 60 7.616 -28.773 36.731 428 1HB ASN 60 2HB ASN 60 9.640 -29.776 35.569 429 2HB ASN 60 3HB ASN 60 10.348 -28.163 35.529 430 1HD2 ASN 60 2HD2 ASN 60 11.872 -27.977 37.155 431 2HD2 ASN 60 1HD2 ASN 60 11.697 -28.691 38.751 432 H ALA 61 H ALA 61 7.770 -25.912 34.838 433 HA ALA 61 HA ALA 61 7.906 -24.271 37.327 434 1HB ALA 61 1HB ALA 61 10.054 -24.152 36.065 435 2HB ALA 61 2HB ALA 61 9.155 -23.539 34.658 436 3HB ALA 61 3HB ALA 61 9.208 -22.596 36.156 437 H SER 62 H SER 62 5.664 -25.395 35.638 438 HA SER 62 HA SER 62 4.250 -23.415 34.199 439 1HB SER 62 2HB SER 62 3.112 -25.686 35.872 440 2HB SER 62 3HB SER 62 2.322 -24.871 34.512 441 HG SER 62 HG SER 62 3.890 -25.726 33.121 Start of MODEL 19 1 1H MET 1 H1 MET 1 6.938 -24.009 34.040 2 2H MET 1 H2 MET 1 5.584 -23.752 34.931 3 3H MET 1 H3 MET 1 6.258 -25.243 34.866 4 HA MET 1 HA MET 1 4.300 -25.190 33.509 5 1HB MET 1 2HB MET 1 4.548 -22.689 33.058 6 2HB MET 1 3HB MET 1 5.734 -23.099 31.816 7 1HG MET 1 2HG MET 1 3.488 -22.717 30.890 8 2HG MET 1 3HG MET 1 4.028 -24.362 30.587 9 1HE MET 1 1HE MET 1 1.520 -25.073 29.919 10 2HE MET 1 2HE MET 1 0.110 -24.691 30.930 11 3HE MET 1 3HE MET 1 1.048 -23.377 30.188 12 H ASP 2 H ASP 2 4.171 -26.442 31.505 13 HA ASP 2 HA ASP 2 6.769 -27.532 30.527 14 1HB ASP 2 2HB ASP 2 5.858 -28.918 32.380 15 2HB ASP 2 3HB ASP 2 4.385 -29.176 31.447 16 H VAL 3 H VAL 3 5.687 -25.696 29.004 17 HA VAL 3 HA VAL 3 4.866 -27.185 26.609 18 HB VAL 3 HB VAL 3 2.755 -26.437 27.857 19 1HG1 VAL 3 1HG1 VAL 3 3.428 -23.695 26.712 20 2HG1 VAL 3 2HG1 VAL 3 1.966 -24.178 27.586 21 3HG1 VAL 3 3HG1 VAL 3 3.522 -24.119 28.430 22 1HG2 VAL 3 1HG2 VAL 3 3.010 -25.439 24.998 23 2HG2 VAL 3 2HG2 VAL 3 2.785 -27.140 25.479 24 3HG2 VAL 3 3HG2 VAL 3 1.544 -25.936 25.853 25 H GLU 4 H GLU 4 5.154 -25.989 24.640 26 HA GLU 4 HA GLU 4 6.675 -23.451 24.761 27 1HB GLU 4 2HB GLU 4 8.294 -25.400 24.779 28 2HB GLU 4 3HB GLU 4 7.661 -25.867 23.203 29 1HG GLU 4 2HG GLU 4 9.609 -24.613 22.787 30 2HG GLU 4 3HG GLU 4 8.307 -23.528 22.366 31 H PHE 5 H PHE 5 4.410 -23.019 24.230 32 HA PHE 5 HA PHE 5 3.200 -23.719 21.738 33 1HB PHE 5 2HB PHE 5 1.954 -22.987 23.724 34 2HB PHE 5 3HB PHE 5 2.685 -21.389 23.626 35 HD1 PHE 5 HD1 PHE 5 0.347 -23.759 21.941 36 HD2 PHE 5 HD2 PHE 5 1.851 -19.716 22.074 37 HE1 PHE 5 HE1 PHE 5 -1.474 -23.027 20.417 38 HE2 PHE 5 HE2 PHE 5 0.025 -18.989 20.555 39 HZ PHE 5 HZ PHE 5 -1.638 -20.643 19.723 40 H LYS 6 H LYS 6 3.062 -22.762 19.804 41 HA LYS 6 HA LYS 6 3.890 -20.087 19.142 42 1HB LYS 6 2HB LYS 6 5.641 -20.654 17.546 43 2HB LYS 6 3HB LYS 6 6.142 -21.104 19.160 44 1HG LYS 6 2HG LYS 6 5.912 -23.422 18.753 45 2HG LYS 6 3HG LYS 6 4.914 -23.197 17.318 46 1HD LYS 6 2HD LYS 6 7.825 -22.312 17.448 47 2HD LYS 6 3HD LYS 6 7.300 -23.909 16.884 48 1HE LYS 6 2HE LYS 6 5.874 -22.863 15.159 49 2HE LYS 6 3HE LYS 6 6.386 -21.257 15.674 50 1HZ LYS 6 1HZ LYS 6 8.189 -23.336 14.562 51 2HZ LYS 6 2HZ LYS 6 7.611 -22.045 13.745 52 3HZ LYS 6 3HZ LYS 6 8.647 -21.824 14.998 53 H CYS 7 H CYS 7 3.752 -19.803 16.716 54 HA CYS 7 HA CYS 7 1.247 -20.597 15.635 55 1HB CYS 7 2HB CYS 7 2.434 -18.566 14.994 56 2HB CYS 7 3HB CYS 7 3.811 -19.513 14.381 57 H THR 8 H THR 8 0.633 -22.561 14.815 58 HA THR 8 HA THR 8 2.497 -24.737 14.649 59 HB THR 8 HB THR 8 0.580 -26.085 13.864 60 HG1 THR 8 1HG THR 8 -1.439 -25.091 13.771 61 1HG2 THR 8 1HG2 THR 8 0.960 -25.709 16.287 62 2HG2 THR 8 2HG2 THR 8 -0.109 -24.290 16.232 63 3HG2 THR 8 3HG2 THR 8 -0.755 -25.912 15.894 64 H CYS 9 H CYS 9 1.721 -22.437 12.206 65 HA CYS 9 HA CYS 9 2.804 -24.239 10.101 66 1HB CYS 9 2HB CYS 9 1.360 -23.097 8.587 67 2HB CYS 9 3HB CYS 9 0.403 -23.748 9.921 68 H SER 10 H SER 10 3.382 -21.338 11.798 69 HA SER 10 HA SER 10 4.872 -19.664 11.680 70 1HB SER 10 2HB SER 10 6.523 -21.661 10.106 71 2HB SER 10 3HB SER 10 7.143 -20.230 10.941 72 HG SER 10 HG SER 10 5.764 -22.390 12.172 73 H ARG 11 H ARG 11 6.636 -18.520 10.117 74 HA ARG 11 HA ARG 11 5.149 -16.848 8.428 75 1HB ARG 11 2HB ARG 11 7.451 -16.500 9.500 76 2HB ARG 11 3HB ARG 11 8.148 -17.335 8.118 77 1HG ARG 11 2HG ARG 11 7.282 -15.683 6.565 78 2HG ARG 11 3HG ARG 11 6.259 -14.970 7.804 79 1HD ARG 11 2HD ARG 11 7.949 -13.427 7.557 80 2HD ARG 11 3HD ARG 11 8.421 -14.294 9.020 81 HE ARG 11 HE ARG 11 9.921 -15.667 7.409 82 1HH1 ARG 11 1HH1 ARG 11 9.333 -12.198 6.862 83 2HH1 ARG 11 2HH1 ARG 11 10.805 -12.050 5.941 84 1HH2 ARG 11 1HH2 ARG 11 11.757 -15.319 6.200 85 2HH2 ARG 11 2HH2 ARG 11 12.073 -13.725 5.546 86 H GLU 12 H GLU 12 6.724 -19.803 7.656 87 HA GLU 12 HA GLU 12 7.021 -19.729 4.874 88 1HB GLU 12 2HB GLU 12 7.750 -21.540 6.429 89 2HB GLU 12 3HB GLU 12 6.084 -22.115 6.521 90 1HG GLU 12 2HG GLU 12 6.093 -22.584 4.093 91 2HG GLU 12 3HG GLU 12 7.720 -21.915 3.952 92 H ARG 13 H ARG 13 3.930 -20.518 6.626 93 HA ARG 13 HA ARG 13 2.481 -20.977 4.122 94 1HB ARG 13 2HB ARG 13 1.584 -20.523 6.985 95 2HB ARG 13 3HB ARG 13 0.444 -20.364 5.646 96 1HG ARG 13 2HG ARG 13 1.240 -22.690 4.852 97 2HG ARG 13 3HG ARG 13 1.961 -22.845 6.465 98 1HD ARG 13 2HD ARG 13 -0.355 -22.224 7.390 99 2HD ARG 13 3HD ARG 13 -0.965 -22.333 5.736 100 HE ARG 13 HE ARG 13 0.302 -24.765 6.133 101 1HH1 ARG 13 1HH1 ARG 13 -2.300 -23.104 7.769 102 2HH1 ARG 13 2HH1 ARG 13 -3.034 -24.588 8.324 103 1HH2 ARG 13 1HH2 ARG 13 -0.682 -26.630 6.861 104 2HH2 ARG 13 2HH2 ARG 13 -2.138 -26.533 7.807 105 H CYS 14 H CYS 14 2.910 -18.030 6.156 106 HA CYS 14 HA CYS 14 1.240 -16.381 4.507 107 1HB CYS 14 2HB CYS 14 3.520 -15.853 6.459 108 2HB CYS 14 3HB CYS 14 2.660 -14.577 5.598 109 HG CYS 14 HG CYS 14 1.336 -16.958 7.498 110 H ALA 15 H ALA 15 4.728 -17.242 4.313 111 HA ALA 15 HA ALA 15 5.412 -15.502 2.154 112 1HB ALA 15 1HB ALA 15 6.600 -18.231 2.829 113 2HB ALA 15 2HB ALA 15 7.373 -16.914 1.931 114 3HB ALA 15 3HB ALA 15 7.021 -16.725 3.661 115 H ASP 16 H ASP 16 4.175 -18.895 2.167 116 HA ASP 16 HA ASP 16 4.173 -19.209 -0.684 117 1HB ASP 16 2HB ASP 16 4.070 -21.078 0.935 118 2HB ASP 16 3HB ASP 16 2.444 -20.578 1.407 119 H ALA 17 H ALA 17 1.656 -18.062 1.596 120 HA ALA 17 HA ALA 17 -0.426 -17.682 -0.322 121 1HB ALA 17 1HB ALA 17 -0.795 -17.788 2.111 122 2HB ALA 17 2HB ALA 17 0.095 -16.265 2.327 123 3HB ALA 17 3HB ALA 17 -1.441 -16.282 1.433 124 H LEU 18 H LEU 18 2.346 -15.598 0.563 125 HA LEU 18 HA LEU 18 1.459 -13.263 -0.886 126 1HB LEU 18 2HB LEU 18 2.815 -12.987 1.038 127 2HB LEU 18 3HB LEU 18 3.910 -14.276 0.575 128 HG LEU 18 HG LEU 18 4.813 -12.956 -1.217 129 1HD1 LEU 18 1HD1 LEU 18 4.419 -10.470 -1.251 130 2HD1 LEU 18 2HD1 LEU 18 2.962 -11.375 -1.687 131 3HD1 LEU 18 3HD1 LEU 18 3.121 -10.681 -0.059 132 1HD2 LEU 18 1HD2 LEU 18 5.879 -12.970 1.007 133 2HD2 LEU 18 2HD2 LEU 18 6.114 -11.405 0.211 134 3HD2 LEU 18 3HD2 LEU 18 4.900 -11.574 1.498 135 H LYS 19 H LYS 19 3.801 -15.990 -1.580 136 HA LYS 19 HA LYS 19 4.750 -14.969 -3.993 137 1HB LYS 19 2HB LYS 19 5.944 -16.845 -4.101 138 2HB LYS 19 3HB LYS 19 5.579 -16.848 -2.415 139 1HG LYS 19 2HG LYS 19 4.992 -18.971 -2.652 140 2HG LYS 19 3HG LYS 19 3.526 -18.443 -3.480 141 1HD LYS 19 2HD LYS 19 4.735 -18.579 -5.657 142 2HD LYS 19 3HD LYS 19 6.188 -19.114 -4.808 143 1HE LYS 19 2HE LYS 19 3.530 -20.605 -4.964 144 2HE LYS 19 3HE LYS 19 5.024 -20.995 -5.824 145 1HZ LYS 19 1HZ LYS 19 4.460 -21.299 -2.945 146 2HZ LYS 19 2HZ LYS 19 5.069 -22.397 -3.979 147 3HZ LYS 19 3HZ LYS 19 6.015 -21.157 -3.452 148 H THR 20 H THR 20 1.649 -16.546 -3.564 149 HA THR 20 HA THR 20 1.377 -17.258 -6.393 150 HB THR 20 HB THR 20 -1.005 -17.684 -5.815 151 HG1 THR 20 1HG THR 20 -1.576 -17.578 -3.640 152 1HG2 THR 20 1HG2 THR 20 0.985 -18.980 -3.903 153 2HG2 THR 20 2HG2 THR 20 -0.599 -19.623 -4.383 154 3HG2 THR 20 3HG2 THR 20 0.693 -19.471 -5.585 155 H LEU 21 H LEU 21 1.013 -14.278 -4.670 156 HA LEU 21 HA LEU 21 -1.014 -13.075 -6.343 157 1HB LEU 21 2HB LEU 21 1.170 -11.840 -4.605 158 2HB LEU 21 3HB LEU 21 -0.210 -10.986 -5.259 159 HG LEU 21 HG LEU 21 -0.355 -13.229 -3.199 160 1HD1 LEU 21 1HD1 LEU 21 -1.009 -11.444 -1.653 161 2HD1 LEU 21 2HD1 LEU 21 0.593 -11.120 -2.335 162 3HD1 LEU 21 3HD1 LEU 21 -0.822 -10.230 -2.941 163 1HD2 LEU 21 1HD2 LEU 21 -2.734 -12.536 -2.966 164 2HD2 LEU 21 2HD2 LEU 21 -2.547 -11.453 -4.365 165 3HD2 LEU 21 3HD2 LEU 21 -2.397 -13.217 -4.559 166 HA PRO 22 HA PRO 22 1.347 -11.868 -9.934 167 1HB PRO 22 2HB PRO 22 0.343 -9.053 -9.540 168 2HB PRO 22 3HB PRO 22 0.287 -10.076 -11.005 169 1HG PRO 22 2HG PRO 22 -1.939 -9.682 -9.493 170 2HG PRO 22 3HG PRO 22 -1.574 -11.301 -10.175 171 1HD PRO 22 2HD PRO 22 -1.085 -10.294 -7.365 172 2HD PRO 22 3HD PRO 22 -1.760 -11.860 -7.912 173 H ASP 23 H ASP 23 3.469 -11.133 -10.295 174 HA ASP 23 HA ASP 23 5.078 -10.342 -8.112 175 1HB ASP 23 2HB ASP 23 5.836 -11.410 -10.252 176 2HB ASP 23 3HB ASP 23 5.652 -9.859 -11.062 177 H GLU 24 H GLU 24 3.600 -8.328 -10.637 178 HA GLU 24 HA GLU 24 4.738 -5.828 -9.861 179 1HB GLU 24 2HB GLU 24 3.045 -4.806 -11.255 180 2HB GLU 24 3HB GLU 24 3.749 -6.214 -12.046 181 1HG GLU 24 2HG GLU 24 1.724 -7.558 -11.345 182 2HG GLU 24 3HG GLU 24 1.016 -6.077 -10.697 183 H GLU 25 H GLU 25 1.950 -7.539 -8.505 184 HA GLU 25 HA GLU 25 0.896 -5.275 -6.995 185 1HB GLU 25 2HB GLU 25 0.358 -8.208 -7.208 186 2HB GLU 25 3HB GLU 25 0.051 -7.521 -5.625 187 1HG GLU 25 2HG GLU 25 -1.093 -6.369 -8.199 188 2HG GLU 25 3HG GLU 25 -1.909 -7.582 -7.217 189 H VAL 26 H VAL 26 3.285 -7.808 -6.383 190 HA VAL 26 HA VAL 26 3.728 -7.078 -3.568 191 HB VAL 26 HB VAL 26 5.313 -8.827 -5.506 192 1HG1 VAL 26 1HG1 VAL 26 5.533 -8.601 -2.481 193 2HG1 VAL 26 2HG1 VAL 26 6.363 -9.794 -3.500 194 3HG1 VAL 26 3HG1 VAL 26 6.755 -8.081 -3.664 195 1HG2 VAL 26 1HG2 VAL 26 4.284 -10.706 -4.210 196 2HG2 VAL 26 2HG2 VAL 26 3.277 -9.522 -3.346 197 3HG2 VAL 26 3HG2 VAL 26 3.085 -9.761 -5.092 198 H ASP 27 H ASP 27 5.412 -6.534 -6.672 199 HA ASP 27 HA ASP 27 7.649 -5.130 -5.663 200 1HB ASP 27 2HB ASP 27 7.257 -6.196 -7.953 201 2HB ASP 27 3HB ASP 27 6.366 -4.742 -8.391 202 H SER 28 H SER 28 4.412 -3.836 -6.600 203 HA SER 28 HA SER 28 5.166 -1.092 -6.609 204 1HB SER 28 2HB SER 28 2.819 -0.573 -6.445 205 2HB SER 28 3HB SER 28 3.066 -1.913 -7.576 206 HG SER 28 HG SER 28 1.320 -2.314 -6.156 207 H ILE 29 H ILE 29 4.238 -3.179 -3.842 208 HA ILE 29 HA ILE 29 4.048 -1.010 -1.978 209 HB ILE 29 HB ILE 29 4.805 -3.831 -1.190 210 1HG1 ILE 29 2HG1 ILE 29 2.955 -4.172 -2.701 211 2HG1 ILE 29 3HG1 ILE 29 2.456 -4.452 -1.056 212 1HG2 ILE 29 1HG2 ILE 29 4.822 -2.184 0.601 213 2HG2 ILE 29 2HG2 ILE 29 3.224 -1.577 0.140 214 3HG2 ILE 29 3HG2 ILE 29 3.397 -3.205 0.814 215 1HD1 ILE 29 1HD1 ILE 29 1.827 -1.927 -2.656 216 2HD1 ILE 29 2HD1 ILE 29 0.721 -3.274 -2.346 217 3HD1 ILE 29 3HD1 ILE 29 1.279 -2.271 -0.999 218 H LEU 30 H LEU 30 6.761 -3.079 -3.044 219 HA LEU 30 HA LEU 30 8.677 -2.079 -1.142 220 1HB LEU 30 2HB LEU 30 9.083 -3.233 -3.930 221 2HB LEU 30 3HB LEU 30 10.380 -2.863 -2.803 222 HG LEU 30 HG LEU 30 8.193 -4.944 -2.374 223 1HD1 LEU 30 1HD1 LEU 30 10.087 -6.517 -2.524 224 2HD1 LEU 30 2HD1 LEU 30 9.936 -5.565 -4.008 225 3HD1 LEU 30 3HD1 LEU 30 11.200 -5.166 -2.821 226 1HD2 LEU 30 1HD2 LEU 30 10.493 -4.041 -0.587 227 2HD2 LEU 30 2HD2 LEU 30 8.751 -4.061 -0.197 228 3HD2 LEU 30 3HD2 LEU 30 9.632 -5.569 -0.371 229 H ALA 31 H ALA 31 7.467 -0.732 -4.153 230 HA ALA 31 HA ALA 31 9.479 1.379 -4.310 231 1HB ALA 31 1HB ALA 31 8.155 2.102 -6.236 232 2HB ALA 31 2HB ALA 31 8.409 0.348 -6.303 233 3HB ALA 31 3HB ALA 31 6.838 1.003 -5.784 234 H GLU 32 H GLU 32 6.775 1.014 -2.278 235 HA GLU 32 HA GLU 32 6.462 3.989 -1.944 236 1HB GLU 32 2HB GLU 32 4.389 1.780 -1.738 237 2HB GLU 32 3HB GLU 32 4.111 3.432 -1.214 238 1HG GLU 32 2HG GLU 32 4.755 2.561 -4.064 239 2HG GLU 32 3HG GLU 32 3.163 2.970 -3.443 240 H ASP 33 H ASP 33 6.867 0.918 -0.231 241 HA ASP 33 HA ASP 33 7.296 2.453 2.298 242 1HB ASP 33 2HB ASP 33 4.967 1.387 2.133 243 2HB ASP 33 3HB ASP 33 5.776 -0.172 2.190 244 H GLY 34 H GLY 34 8.153 -0.336 0.315 245 1HA GLY 34 2HA GLY 34 10.239 -1.402 0.270 246 2HA GLY 34 3HA GLY 34 10.687 -0.613 1.771 247 H GLU 35 H GLU 35 7.749 -2.008 2.452 248 HA GLU 35 HA GLU 35 8.620 -4.766 2.940 249 1HB GLU 35 2HB GLU 35 7.782 -2.980 5.271 250 2HB GLU 35 3HB GLU 35 8.130 -4.698 5.337 251 1HG GLU 35 2HG GLU 35 10.495 -4.203 4.645 252 2HG GLU 35 3HG GLU 35 10.138 -2.480 4.815 253 H ILE 36 H ILE 36 6.864 -6.084 3.807 254 HA ILE 36 HA ILE 36 4.092 -5.043 3.395 255 HB ILE 36 HB ILE 36 5.239 -7.699 2.442 256 1HG1 ILE 36 2HG1 ILE 36 4.248 -5.314 0.819 257 2HG1 ILE 36 3HG1 ILE 36 5.942 -5.759 1.032 258 1HG2 ILE 36 1HG2 ILE 36 2.884 -7.933 3.179 259 2HG2 ILE 36 2HG2 ILE 36 2.418 -6.562 2.146 260 3HG2 ILE 36 3HG2 ILE 36 3.002 -8.084 1.440 261 1HD1 ILE 36 1HD1 ILE 36 3.856 -7.274 -0.521 262 2HD1 ILE 36 2HD1 ILE 36 5.396 -6.570 -1.057 263 3HD1 ILE 36 3HD1 ILE 36 5.396 -7.999 0.006 264 H ASP 37 H ASP 37 2.667 -5.665 4.913 265 HA ASP 37 HA ASP 37 3.527 -7.492 7.128 266 1HB ASP 37 2HB ASP 37 3.126 -5.217 7.894 267 2HB ASP 37 3HB ASP 37 1.592 -5.146 7.029 268 H MET 38 H MET 38 2.379 -9.329 7.449 269 HA MET 38 HA MET 38 -0.244 -9.667 6.056 270 1HB MET 38 2HB MET 38 1.759 -10.534 4.731 271 2HB MET 38 3HB MET 38 1.974 -11.748 6.001 272 1HG MET 38 2HG MET 38 -0.236 -12.677 5.532 273 2HG MET 38 3HG MET 38 -0.611 -11.320 4.455 274 1HE MET 38 1HE MET 38 -1.247 -14.086 3.299 275 2HE MET 38 2HE MET 38 -1.330 -12.543 2.414 276 3HE MET 38 3HE MET 38 -0.494 -13.932 1.693 277 H HIS 39 H HIS 39 -1.734 -10.860 7.091 278 HA HIS 39 HA HIS 39 -1.212 -11.597 9.910 279 1HB HIS 39 2HB HIS 39 -3.045 -10.077 9.363 280 2HB HIS 39 3HB HIS 39 -3.731 -11.252 8.245 281 HD1 HIS 39 HD1 HIS 39 -2.668 -12.117 11.913 282 HD2 HIS 39 HD2 HIS 39 -6.025 -11.627 9.408 283 HE1 HIS 39 HE1 HIS 39 -4.700 -12.743 13.299 284 H CYS 40 H CYS 40 -1.252 -13.612 10.672 285 HA CYS 40 HA CYS 40 -1.425 -15.936 8.902 286 1HB CYS 40 2HB CYS 40 0.326 -15.710 10.646 287 2HB CYS 40 3HB CYS 40 -0.928 -15.664 11.895 288 H ASP 41 H ASP 41 -3.684 -15.582 8.281 289 HA ASP 41 HA ASP 41 -5.900 -15.521 10.065 290 1HB ASP 41 2HB ASP 41 -5.592 -16.591 7.234 291 2HB ASP 41 3HB ASP 41 -7.134 -16.595 8.079 292 H TYR 42 H TYR 42 -3.787 -18.136 9.319 293 HA TYR 42 HA TYR 42 -5.415 -20.409 9.928 294 1HB TYR 42 2HB TYR 42 -2.406 -19.980 10.101 295 2HB TYR 42 3HB TYR 42 -3.215 -21.520 10.064 296 HD1 TYR 42 HD1 TYR 42 -1.558 -19.050 8.096 297 HD2 TYR 42 HD2 TYR 42 -4.793 -21.918 7.926 298 HE1 TYR 42 HE1 TYR 42 -1.510 -18.964 5.618 299 HE2 TYR 42 HE2 TYR 42 -4.688 -21.871 5.433 300 HH TYR 42 HH TYR 42 -2.388 -19.772 3.660 301 H CYS 43 H CYS 43 -3.227 -18.417 11.916 302 HA CYS 43 HA CYS 43 -4.051 -19.923 14.380 303 1HB CYS 43 2HB CYS 43 -1.358 -18.632 13.824 304 2HB CYS 43 3HB CYS 43 -1.791 -19.677 15.180 305 H GLY 44 H GLY 44 -3.460 -16.662 13.113 306 1HA GLY 44 2HA GLY 44 -4.754 -14.857 14.131 307 2HA GLY 44 3HA GLY 44 -4.342 -15.471 15.727 308 H ASN 45 H ASN 45 -1.496 -15.840 14.218 309 HA ASN 45 HA ASN 45 -0.290 -13.465 15.381 310 1HB ASN 45 2HB ASN 45 0.618 -15.868 15.327 311 2HB ASN 45 3HB ASN 45 0.971 -15.618 13.618 312 1HD2 ASN 45 2HD2 ASN 45 3.268 -16.032 14.181 313 2HD2 ASN 45 1HD2 ASN 45 4.176 -14.738 14.937 314 H HIS 46 H HIS 46 1.696 -12.607 13.777 315 HA HIS 46 HA HIS 46 0.762 -12.054 11.060 316 1HB HIS 46 2HB HIS 46 0.640 -9.786 11.130 317 2HB HIS 46 3HB HIS 46 -0.041 -10.153 12.704 318 HD1 HIS 46 HD1 HIS 46 2.419 -7.939 11.151 319 HD2 HIS 46 HD2 HIS 46 2.110 -10.092 14.770 320 HE1 HIS 46 HE1 HIS 46 4.102 -6.895 12.758 321 H TYR 47 H TYR 47 2.588 -11.006 9.723 322 HA TYR 47 HA TYR 47 5.295 -11.518 10.754 323 1HB TYR 47 2HB TYR 47 4.014 -12.934 8.367 324 2HB TYR 47 3HB TYR 47 5.737 -12.878 8.680 325 HD1 TYR 47 HD1 TYR 47 2.673 -14.639 9.362 326 HD2 TYR 47 HD2 TYR 47 6.609 -13.834 10.935 327 HE1 TYR 47 HE1 TYR 47 2.477 -16.623 10.859 328 HE2 TYR 47 HE2 TYR 47 6.396 -15.801 12.455 329 HH TYR 47 HH TYR 47 3.473 -17.857 12.514 330 H LEU 48 H LEU 48 6.871 -10.589 9.436 331 HA LEU 48 HA LEU 48 5.847 -8.536 7.567 332 1HB LEU 48 2HB LEU 48 8.310 -8.488 9.375 333 2HB LEU 48 3HB LEU 48 7.920 -7.233 8.206 334 HG LEU 48 HG LEU 48 6.174 -7.953 10.606 335 1HD1 LEU 48 1HD1 LEU 48 8.073 -5.611 10.167 336 2HD1 LEU 48 2HD1 LEU 48 6.993 -5.841 11.562 337 3HD1 LEU 48 3HD1 LEU 48 8.327 -6.971 11.285 338 1HD2 LEU 48 1HD2 LEU 48 5.070 -5.778 10.103 339 2HD2 LEU 48 2HD2 LEU 48 6.041 -5.639 8.618 340 3HD2 LEU 48 3HD2 LEU 48 4.859 -6.953 8.807 341 H PHE 49 H PHE 49 7.014 -8.156 5.657 342 HA PHE 49 HA PHE 49 9.205 -10.045 4.901 343 1HB PHE 49 2HB PHE 49 6.724 -9.375 3.267 344 2HB PHE 49 3HB PHE 49 8.124 -10.248 2.665 345 HD1 PHE 49 HD1 PHE 49 5.070 -10.478 4.698 346 HD2 PHE 49 HD2 PHE 49 8.669 -12.525 3.495 347 HE1 PHE 49 HE1 PHE 49 4.113 -12.632 5.484 348 HE2 PHE 49 HE2 PHE 49 7.719 -14.668 4.288 349 HZ PHE 49 HZ PHE 49 5.431 -14.732 5.270 350 H ASN 50 H ASN 50 10.798 -9.143 3.676 351 HA ASN 50 HA ASN 50 10.483 -6.283 2.815 352 1HB ASN 50 2HB ASN 50 12.782 -5.876 3.526 353 2HB ASN 50 3HB ASN 50 11.787 -6.424 4.849 354 1HD2 ASN 50 2HD2 ASN 50 13.439 -7.314 6.142 355 2HD2 ASN 50 1HD2 ASN 50 14.411 -8.675 5.599 356 H ALA 51 H ALA 51 12.530 -5.703 1.420 357 HA ALA 51 HA ALA 51 12.120 -6.842 -1.123 358 1HB ALA 51 1HB ALA 51 13.041 -4.592 -0.716 359 2HB ALA 51 2HB ALA 51 14.538 -5.311 -0.073 360 3HB ALA 51 3HB ALA 51 14.102 -5.534 -1.781 361 H MET 52 H MET 52 14.600 -7.763 1.309 362 HA MET 52 HA MET 52 16.029 -9.563 -0.474 363 1HB MET 52 2HB MET 52 16.006 -9.414 2.571 364 2HB MET 52 3HB MET 52 17.104 -10.387 1.589 365 1HG MET 52 2HG MET 52 17.955 -8.333 0.495 366 2HG MET 52 3HG MET 52 16.891 -7.353 1.511 367 1HE MET 52 1HE MET 52 20.440 -6.501 2.911 368 2HE MET 52 2HE MET 52 20.000 -6.830 1.221 369 3HE MET 52 3HE MET 52 18.922 -5.856 2.248 370 H ASP 53 H ASP 53 13.367 -9.984 1.893 371 HA ASP 53 HA ASP 53 13.208 -12.866 1.728 372 1HB ASP 53 2HB ASP 53 11.101 -10.734 2.313 373 2HB ASP 53 3HB ASP 53 10.803 -12.451 2.406 374 H ILE 54 H ILE 54 11.550 -10.238 -0.051 375 HA ILE 54 HA ILE 54 10.017 -11.920 -1.790 376 HB ILE 54 HB ILE 54 10.853 -9.012 -1.815 377 1HG1 ILE 54 2HG1 ILE 54 8.094 -10.281 -1.534 378 2HG1 ILE 54 3HG1 ILE 54 9.152 -10.128 -0.144 379 1HG2 ILE 54 1HG2 ILE 54 9.041 -10.416 -3.830 380 2HG2 ILE 54 2HG2 ILE 54 9.183 -8.654 -3.638 381 3HG2 ILE 54 3HG2 ILE 54 10.576 -9.585 -4.174 382 1HD1 ILE 54 1HD1 ILE 54 8.117 -7.787 -1.770 383 2HD1 ILE 54 2HD1 ILE 54 7.631 -8.285 -0.136 384 3HD1 ILE 54 3HD1 ILE 54 9.271 -7.705 -0.420 385 H ALA 55 H ALA 55 13.302 -10.539 -2.121 386 HA ALA 55 HA ALA 55 13.758 -11.401 -4.813 387 1HB ALA 55 1HB ALA 55 15.745 -11.015 -2.535 388 2HB ALA 55 2HB ALA 55 16.138 -11.122 -4.261 389 3HB ALA 55 3HB ALA 55 15.181 -9.757 -3.659 390 H GLU 56 H GLU 56 14.057 -13.154 -1.702 391 HA GLU 56 HA GLU 56 15.173 -15.567 -2.926 392 1HB GLU 56 2HB GLU 56 13.988 -14.960 -0.200 393 2HB GLU 56 3HB GLU 56 14.510 -16.573 -0.668 394 1HG GLU 56 2HG GLU 56 16.359 -14.155 -0.753 395 2HG GLU 56 3HG GLU 56 16.186 -15.211 0.643 396 H ILE 57 H ILE 57 11.889 -14.538 -1.903 397 HA ILE 57 HA ILE 57 10.528 -16.940 -2.655 398 HB ILE 57 HB ILE 57 9.673 -14.040 -2.433 399 1HG1 ILE 57 2HG1 ILE 57 8.953 -16.455 -0.703 400 2HG1 ILE 57 3HG1 ILE 57 10.359 -15.457 -0.376 401 1HG2 ILE 57 1HG2 ILE 57 7.307 -14.873 -2.507 402 2HG2 ILE 57 2HG2 ILE 57 8.133 -15.052 -4.046 403 3HG2 ILE 57 3HG2 ILE 57 7.932 -16.469 -2.987 404 1HD1 ILE 57 1HD1 ILE 57 7.467 -14.522 -0.304 405 2HD1 ILE 57 2HD1 ILE 57 8.585 -14.720 1.053 406 3HD1 ILE 57 3HD1 ILE 57 8.884 -13.451 -0.149 407 H ARG 58 H ARG 58 11.578 -14.167 -4.578 408 HA ARG 58 HA ARG 58 10.369 -14.896 -7.102 409 1HB ARG 58 2HB ARG 58 12.611 -13.048 -6.252 410 2HB ARG 58 3HB ARG 58 12.341 -13.377 -7.960 411 1HG ARG 58 2HG ARG 58 10.108 -12.516 -7.902 412 2HG ARG 58 3HG ARG 58 10.126 -12.350 -6.137 413 1HD ARG 58 2HD ARG 58 11.766 -10.612 -6.208 414 2HD ARG 58 3HD ARG 58 12.128 -10.913 -7.918 415 HE ARG 58 HE ARG 58 9.479 -10.263 -8.043 416 1HH1 ARG 58 1HH1 ARG 58 12.126 -8.497 -6.494 417 2HH1 ARG 58 2HH1 ARG 58 11.388 -6.964 -6.895 418 1HH2 ARG 58 1HH2 ARG 58 8.796 -8.275 -8.664 419 2HH2 ARG 58 2HH2 ARG 58 9.562 -6.835 -7.987 420 H ASN 59 H ASN 59 13.008 -16.354 -5.453 421 HA ASN 59 HA ASN 59 13.711 -17.854 -7.929 422 1HB ASN 59 2HB ASN 59 15.912 -18.227 -7.179 423 2HB ASN 59 3HB ASN 59 15.587 -16.510 -7.165 424 1HD2 ASN 59 2HD2 ASN 59 16.725 -15.585 -5.528 425 2HD2 ASN 59 1HD2 ASN 59 16.945 -16.292 -3.927 426 H ASN 60 H ASN 60 11.473 -18.217 -6.147 427 HA ASN 60 HA ASN 60 10.181 -19.766 -5.287 428 1HB ASN 60 2HB ASN 60 10.738 -20.726 -7.495 429 2HB ASN 60 3HB ASN 60 12.025 -21.656 -6.748 430 1HD2 ASN 60 2HD2 ASN 60 11.280 -23.777 -6.901 431 2HD2 ASN 60 1HD2 ASN 60 9.691 -24.288 -6.349 432 H ALA 61 H ALA 61 12.169 -18.843 -3.440 433 HA ALA 61 HA ALA 61 13.167 -21.031 -1.862 434 1HB ALA 61 1HB ALA 61 13.563 -19.306 -0.164 435 2HB ALA 61 2HB ALA 61 14.067 -18.743 -1.766 436 3HB ALA 61 3HB ALA 61 12.533 -18.167 -1.053 437 H SER 62 H SER 62 9.938 -19.941 -2.213 438 HA SER 62 HA SER 62 8.969 -21.586 0.066 439 1HB SER 62 2HB SER 62 7.968 -18.771 -0.545 440 2HB SER 62 3HB SER 62 7.308 -19.882 0.664 441 HG SER 62 HG SER 62 9.506 -19.870 1.606 Start of MODEL 20 1 1H MET 1 H1 MET 1 11.958 -16.864 0.773 2 2H MET 1 H2 MET 1 12.470 -15.840 1.946 3 3H MET 1 H3 MET 1 11.360 -16.992 2.290 4 HA MET 1 HA MET 1 10.277 -14.872 2.140 5 1HB MET 1 2HB MET 1 11.882 -13.776 0.646 6 2HB MET 1 3HB MET 1 11.411 -14.832 -0.690 7 1HG MET 1 2HG MET 1 10.385 -12.608 -0.862 8 2HG MET 1 3HG MET 1 9.174 -13.875 -0.730 9 1HE MET 1 1HE MET 1 7.238 -12.250 -0.230 10 2HE MET 1 2HE MET 1 7.311 -10.937 0.962 11 3HE MET 1 3HE MET 1 8.368 -10.895 -0.465 12 H ASP 2 H ASP 2 8.170 -15.238 2.062 13 HA ASP 2 HA ASP 2 6.851 -16.649 -0.120 14 1HB ASP 2 2HB ASP 2 5.819 -18.353 1.317 15 2HB ASP 2 3HB ASP 2 7.552 -18.574 1.180 16 H VAL 3 H VAL 3 4.565 -16.351 -0.088 17 HA VAL 3 HA VAL 3 3.735 -13.833 0.975 18 HB VAL 3 HB VAL 3 2.904 -14.714 -1.124 19 1HG1 VAL 3 1HG1 VAL 3 2.601 -17.118 -0.536 20 2HG1 VAL 3 2HG1 VAL 3 1.189 -16.677 0.448 21 3HG1 VAL 3 3HG1 VAL 3 1.178 -16.399 -1.302 22 1HG2 VAL 3 1HG2 VAL 3 0.624 -14.252 0.836 23 2HG2 VAL 3 2HG2 VAL 3 1.618 -12.983 0.088 24 3HG2 VAL 3 3HG2 VAL 3 0.594 -14.013 -0.920 25 H GLU 4 H GLU 4 2.623 -13.218 2.725 26 HA GLU 4 HA GLU 4 1.213 -15.116 4.455 27 1HB GLU 4 2HB GLU 4 3.597 -15.226 5.160 28 2HB GLU 4 3HB GLU 4 3.617 -13.483 5.377 29 1HG GLU 4 2HG GLU 4 3.509 -14.638 7.489 30 2HG GLU 4 3HG GLU 4 2.071 -13.671 7.268 31 H PHE 5 H PHE 5 -0.038 -14.061 6.065 32 HA PHE 5 HA PHE 5 -0.673 -11.167 5.708 33 1HB PHE 5 2HB PHE 5 -2.669 -13.468 5.622 34 2HB PHE 5 3HB PHE 5 -3.089 -11.761 5.682 35 HD1 PHE 5 HD1 PHE 5 -2.195 -14.524 3.508 36 HD2 PHE 5 HD2 PHE 5 -2.378 -10.228 3.789 37 HE1 PHE 5 HE1 PHE 5 -2.149 -14.362 1.027 38 HE2 PHE 5 HE2 PHE 5 -2.356 -10.066 1.305 39 HZ PHE 5 HZ PHE 5 -2.230 -12.133 -0.077 40 H LYS 6 H LYS 6 0.873 -11.898 7.655 41 HA LYS 6 HA LYS 6 -0.739 -11.965 10.179 42 1HB LYS 6 2HB LYS 6 0.387 -14.113 9.211 43 2HB LYS 6 3HB LYS 6 1.895 -13.432 9.790 44 1HG LYS 6 2HG LYS 6 1.051 -13.478 12.105 45 2HG LYS 6 3HG LYS 6 -0.541 -14.025 11.551 46 1HD LYS 6 2HD LYS 6 2.038 -15.557 11.005 47 2HD LYS 6 3HD LYS 6 1.054 -15.839 12.444 48 1HE LYS 6 2HE LYS 6 -0.717 -16.776 11.275 49 2HE LYS 6 3HE LYS 6 -0.338 -15.934 9.773 50 1HZ LYS 6 1HZ LYS 6 1.469 -17.385 9.356 51 2HZ LYS 6 2HZ LYS 6 1.366 -18.111 10.837 52 3HZ LYS 6 3HZ LYS 6 0.196 -18.333 9.716 53 H CYS 7 H CYS 7 0.551 -9.889 8.670 54 HA CYS 7 HA CYS 7 2.941 -8.835 9.580 55 1HB CYS 7 2HB CYS 7 1.387 -8.033 7.711 56 2HB CYS 7 3HB CYS 7 0.522 -7.120 8.946 57 H THR 8 H THR 8 3.642 -8.552 11.593 58 HA THR 8 HA THR 8 1.880 -7.928 13.835 59 HB THR 8 HB THR 8 3.777 -9.451 14.051 60 HG1 THR 8 1HG THR 8 4.447 -8.649 16.021 61 1HG2 THR 8 1HG2 THR 8 6.065 -8.681 14.270 62 2HG2 THR 8 2HG2 THR 8 5.481 -8.259 12.657 63 3HG2 THR 8 3HG2 THR 8 5.598 -7.008 13.915 64 H CYS 9 H CYS 9 4.141 -6.058 11.842 65 HA CYS 9 HA CYS 9 3.951 -3.663 13.485 66 1HB CYS 9 2HB CYS 9 5.478 -2.789 11.680 67 2HB CYS 9 3HB CYS 9 6.070 -4.145 12.629 68 H SER 10 H SER 10 1.912 -4.991 11.237 69 HA SER 10 HA SER 10 -0.072 -4.374 10.437 70 1HB SER 10 2HB SER 10 -0.011 -2.803 12.504 71 2HB SER 10 3HB SER 10 0.238 -1.509 11.332 72 HG SER 10 HG SER 10 -2.004 -1.966 11.881 73 H ARG 11 H ARG 11 -1.309 -2.883 9.116 74 HA ARG 11 HA ARG 11 -0.388 -2.691 6.453 75 1HB ARG 11 2HB ARG 11 -2.760 -2.769 7.444 76 2HB ARG 11 3HB ARG 11 -2.622 -1.047 7.732 77 1HG ARG 11 2HG ARG 11 -2.328 -0.621 5.317 78 2HG ARG 11 3HG ARG 11 -2.362 -2.362 4.987 79 1HD ARG 11 2HD ARG 11 -4.680 -2.446 5.947 80 2HD ARG 11 3HD ARG 11 -4.621 -0.696 6.173 81 HE ARG 11 HE ARG 11 -4.347 -1.996 3.472 82 1HH1 ARG 11 2HH1 ARG 11 -5.942 0.529 5.366 83 2HH1 ARG 11 1HH1 ARG 11 -6.827 1.075 3.944 84 1HH2 ARG 11 1HH2 ARG 11 -5.622 -1.304 1.843 85 2HH2 ARG 11 2HH2 ARG 11 -6.715 0.047 2.077 86 H GLU 12 H GLU 12 -0.264 -0.361 9.033 87 HA GLU 12 HA GLU 12 0.135 2.056 7.589 88 1HB GLU 12 2HB GLU 12 -0.235 1.741 10.082 89 2HB GLU 12 3HB GLU 12 1.468 1.299 10.216 90 1HG GLU 12 2HG GLU 12 2.034 3.572 9.201 91 2HG GLU 12 3HG GLU 12 0.317 3.967 9.277 92 H ARG 13 H ARG 13 2.503 -0.503 8.361 93 HA ARG 13 HA ARG 13 4.884 0.926 7.460 94 1HB ARG 13 2HB ARG 13 4.280 -2.033 7.685 95 2HB ARG 13 3HB ARG 13 5.865 -1.330 7.427 96 1HG ARG 13 2HG ARG 13 4.147 -0.886 9.893 97 2HG ARG 13 3HG ARG 13 5.404 -2.084 9.685 98 1HD ARG 13 2HD ARG 13 6.331 -0.356 11.007 99 2HD ARG 13 3HD ARG 13 7.121 -0.362 9.441 100 HE ARG 13 HE ARG 13 6.457 1.819 9.167 101 1HH1 ARG 13 1HH1 ARG 13 4.167 0.477 11.522 102 2HH1 ARG 13 2HH1 ARG 13 3.433 2.072 11.726 103 1HH2 ARG 13 2HH2 ARG 13 5.356 3.756 9.580 104 2HH2 ARG 13 1HH2 ARG 13 4.026 3.711 10.738 105 H CYS 14 H CYS 14 2.745 -1.466 5.972 106 HA CYS 14 HA CYS 14 3.990 -1.552 3.392 107 1HB CYS 14 2HB CYS 14 2.342 -3.186 4.492 108 2HB CYS 14 3HB CYS 14 1.052 -2.072 4.017 109 HG CYS 14 HG CYS 14 1.899 -1.959 1.449 110 H ALA 15 H ALA 15 1.410 0.496 4.733 111 HA ALA 15 HA ALA 15 0.707 1.923 2.354 112 1HB ALA 15 1HB ALA 15 -0.655 1.867 4.439 113 2HB ALA 15 2HB ALA 15 0.593 2.810 5.275 114 3HB ALA 15 3HB ALA 15 -0.294 3.526 3.924 115 H ASP 16 H ASP 16 3.146 2.632 4.937 116 HA ASP 16 HA ASP 16 4.106 5.077 3.793 117 1HB ASP 16 2HB ASP 16 4.490 4.286 6.132 118 2HB ASP 16 3HB ASP 16 5.606 3.068 5.518 119 H ALA 17 H ALA 17 5.033 1.670 3.246 120 HA ALA 17 HA ALA 17 7.263 2.181 1.520 121 1HB ALA 17 1HB ALA 17 5.410 -0.240 1.556 122 2HB ALA 17 2HB ALA 17 7.053 -0.157 0.896 123 3HB ALA 17 3HB ALA 17 6.797 0.007 2.641 124 H LEU 18 H LEU 18 3.742 2.097 0.864 125 HA LEU 18 HA LEU 18 3.977 2.245 -2.029 126 1HB LEU 18 2HB LEU 18 2.100 1.137 -1.175 127 2HB LEU 18 3HB LEU 18 1.842 2.295 0.107 128 HG LEU 18 HG LEU 18 1.045 3.946 -1.452 129 1HD1 LEU 18 1HD1 LEU 18 0.373 3.272 -3.770 130 2HD1 LEU 18 2HD1 LEU 18 2.126 3.230 -3.580 131 3HD1 LEU 18 3HD1 LEU 18 1.202 1.715 -3.546 132 1HD2 LEU 18 1HD2 LEU 18 -1.126 2.826 -1.939 133 2HD2 LEU 18 2HD2 LEU 18 -0.370 1.253 -1.628 134 3HD2 LEU 18 3HD2 LEU 18 -0.528 2.440 -0.317 135 H LYS 19 H LYS 19 3.369 4.622 0.673 136 HA LYS 19 HA LYS 19 2.753 6.897 -0.665 137 1HB LYS 19 2HB LYS 19 2.764 6.253 1.800 138 2HB LYS 19 3HB LYS 19 4.518 6.515 1.797 139 1HG LYS 19 2HG LYS 19 4.131 8.786 1.041 140 2HG LYS 19 3HG LYS 19 2.376 8.531 1.161 141 1HD LYS 19 2HD LYS 19 2.640 8.075 3.612 142 2HD LYS 19 3HD LYS 19 4.394 8.312 3.451 143 1HE LYS 19 2HE LYS 19 3.866 10.652 2.557 144 2HE LYS 19 3HE LYS 19 2.194 10.387 3.070 145 1HZ LYS 19 1HZ LYS 19 3.017 10.106 5.362 146 2HZ LYS 19 2HZ LYS 19 4.566 10.271 4.868 147 3HZ LYS 19 3HZ LYS 19 3.545 11.535 4.769 148 H THR 20 H THR 20 6.055 5.559 -0.251 149 HA THR 20 HA THR 20 7.360 7.973 -1.239 150 HB THR 20 HB THR 20 9.421 6.586 -1.222 151 HG1 THR 20 1HG THR 20 9.269 4.515 -0.352 152 1HG2 THR 20 1HG2 THR 20 9.556 6.310 1.196 153 2HG2 THR 20 2HG2 THR 20 8.687 7.805 0.812 154 3HG2 THR 20 3HG2 THR 20 7.786 6.369 1.344 155 H LEU 21 H LEU 21 5.796 5.402 -2.950 156 HA LEU 21 HA LEU 21 7.521 5.360 -5.262 157 1HB LEU 21 2HB LEU 21 4.576 4.631 -4.970 158 2HB LEU 21 3HB LEU 21 5.615 4.197 -6.311 159 HG LEU 21 HG LEU 21 5.907 3.201 -3.447 160 1HD1 LEU 21 1HD1 LEU 21 4.010 2.237 -4.716 161 2HD1 LEU 21 2HD1 LEU 21 5.128 1.752 -6.009 162 3HD1 LEU 21 3HD1 LEU 21 5.269 1.038 -4.385 163 1HD2 LEU 21 1HD2 LEU 21 7.614 1.653 -4.376 164 2HD2 LEU 21 2HD2 LEU 21 7.551 2.526 -5.925 165 3HD2 LEU 21 3HD2 LEU 21 8.133 3.336 -4.449 166 HA PRO 22 HA PRO 22 6.437 9.063 -7.406 167 1HB PRO 22 2HB PRO 22 5.833 7.413 -9.850 168 2HB PRO 22 3HB PRO 22 6.877 8.856 -9.694 169 1HG PRO 22 2HG PRO 22 7.967 6.374 -9.846 170 2HG PRO 22 3HG PRO 22 8.621 7.581 -8.691 171 1HD PRO 22 2HD PRO 22 6.726 5.289 -8.141 172 2HD PRO 22 3HD PRO 22 8.157 5.831 -7.211 173 H ASP 23 H ASP 23 4.630 10.307 -7.469 174 HA ASP 23 HA ASP 23 2.061 9.296 -6.898 175 1HB ASP 23 2HB ASP 23 1.282 11.525 -7.133 176 2HB ASP 23 3HB ASP 23 2.886 11.574 -6.403 177 H GLU 24 H GLU 24 3.452 10.240 -9.980 178 HA GLU 24 HA GLU 24 1.121 9.940 -11.634 179 1HB GLU 24 2HB GLU 24 4.076 9.647 -12.330 180 2HB GLU 24 3HB GLU 24 2.757 9.702 -13.507 181 1HG GLU 24 2HG GLU 24 2.105 11.960 -12.621 182 2HG GLU 24 3HG GLU 24 3.538 11.930 -11.587 183 H GLU 25 H GLU 25 3.564 7.512 -10.616 184 HA GLU 25 HA GLU 25 2.542 5.407 -12.354 185 1HB GLU 25 2HB GLU 25 4.263 5.322 -9.839 186 2HB GLU 25 3HB GLU 25 3.862 3.907 -10.805 187 1HG GLU 25 2HG GLU 25 5.347 6.340 -11.891 188 2HG GLU 25 3HG GLU 25 6.123 4.893 -11.266 189 H VAL 26 H VAL 26 2.007 6.306 -8.934 190 HA VAL 26 HA VAL 26 0.165 4.183 -8.295 191 HB VAL 26 HB VAL 26 0.563 6.972 -7.138 192 1HG1 VAL 26 1HG1 VAL 26 -1.725 6.278 -6.569 193 2HG1 VAL 26 2HG1 VAL 26 -1.122 4.697 -6.028 194 3HG1 VAL 26 3HG1 VAL 26 -0.681 6.171 -5.148 195 1HG2 VAL 26 1HG2 VAL 26 1.670 5.748 -5.301 196 2HG2 VAL 26 2HG2 VAL 26 1.363 4.204 -6.126 197 3HG2 VAL 26 3HG2 VAL 26 2.466 5.398 -6.837 198 H ASP 27 H ASP 27 -0.389 7.543 -9.471 199 HA ASP 27 HA ASP 27 -3.229 7.391 -9.642 200 1HB ASP 27 2HB ASP 27 -1.884 9.471 -9.696 201 2HB ASP 27 3HB ASP 27 -1.259 9.030 -11.286 202 H SER 28 H SER 28 -0.712 6.502 -12.047 203 HA SER 28 HA SER 28 -2.435 6.002 -14.248 204 1HB SER 28 2HB SER 28 0.027 6.206 -14.378 205 2HB SER 28 3HB SER 28 0.196 4.632 -13.573 206 HG SER 28 HG SER 28 0.288 4.527 -15.897 207 H ILE 29 H ILE 29 -1.321 3.706 -11.666 208 HA ILE 29 HA ILE 29 -2.764 1.470 -12.731 209 HB ILE 29 HB ILE 29 -1.901 1.958 -9.854 210 1HG1 ILE 29 2HG1 ILE 29 -0.470 0.298 -11.980 211 2HG1 ILE 29 3HG1 ILE 29 -0.039 1.963 -11.655 212 1HG2 ILE 29 1HG2 ILE 29 -2.038 -0.599 -9.769 213 2HG2 ILE 29 2HG2 ILE 29 -3.593 0.190 -9.974 214 3HG2 ILE 29 3HG2 ILE 29 -2.784 -0.555 -11.368 215 1HD1 ILE 29 1HD1 ILE 29 1.478 0.562 -10.441 216 2HD1 ILE 29 2HD1 ILE 29 0.441 1.404 -9.276 217 3HD1 ILE 29 3HD1 ILE 29 0.160 -0.313 -9.652 218 H LEU 30 H LEU 30 -3.640 3.947 -10.269 219 HA LEU 30 HA LEU 30 -6.218 2.871 -9.647 220 1HB LEU 30 2HB LEU 30 -5.163 5.723 -9.551 221 2HB LEU 30 3HB LEU 30 -6.735 5.236 -8.929 222 HG LEU 30 HG LEU 30 -4.049 4.233 -7.887 223 1HD1 LEU 30 1HD1 LEU 30 -4.684 5.544 -5.885 224 2HD1 LEU 30 2HD1 LEU 30 -4.524 6.571 -7.316 225 3HD1 LEU 30 3HD1 LEU 30 -6.139 6.120 -6.725 226 1HD2 LEU 30 1HD2 LEU 30 -5.425 3.264 -6.042 227 2HD2 LEU 30 2HD2 LEU 30 -6.882 3.610 -6.992 228 3HD2 LEU 30 3HD2 LEU 30 -5.652 2.464 -7.585 229 H ALA 31 H ALA 31 -5.199 4.966 -12.330 230 HA ALA 31 HA ALA 31 -7.862 5.513 -13.292 231 1HB ALA 31 1HB ALA 31 -5.167 5.652 -14.711 232 2HB ALA 31 2HB ALA 31 -6.675 6.426 -15.235 233 3HB ALA 31 3HB ALA 31 -5.893 6.950 -13.733 234 H GLU 32 H GLU 32 -6.122 2.565 -13.401 235 HA GLU 32 HA GLU 32 -7.732 1.616 -15.757 236 1HB GLU 32 2HB GLU 32 -4.935 0.780 -14.920 237 2HB GLU 32 3HB GLU 32 -5.909 -0.004 -16.170 238 1HG GLU 32 2HG GLU 32 -6.056 2.222 -17.363 239 2HG GLU 32 3HG GLU 32 -4.858 2.851 -16.232 240 H ASP 33 H ASP 33 -6.853 0.898 -12.414 241 HA ASP 33 HA ASP 33 -8.803 -1.368 -12.506 242 1HB ASP 33 2HB ASP 33 -6.309 -2.075 -12.646 243 2HB ASP 33 3HB ASP 33 -6.201 -1.568 -10.969 244 H GLY 34 H GLY 34 -7.627 1.373 -10.740 245 1HA GLY 34 2HA GLY 34 -8.588 2.472 -8.959 246 2HA GLY 34 3HA GLY 34 -9.820 1.219 -8.862 247 H GLU 35 H GLU 35 -6.917 -0.429 -8.603 248 HA GLU 35 HA GLU 35 -6.363 0.145 -5.784 249 1HB GLU 35 2HB GLU 35 -6.795 -2.152 -5.010 250 2HB GLU 35 3HB GLU 35 -8.261 -1.341 -5.532 251 1HG GLU 35 2HG GLU 35 -8.132 -2.577 -7.714 252 2HG GLU 35 3HG GLU 35 -6.685 -3.406 -7.129 253 H ILE 36 H ILE 36 -4.581 -1.052 -4.895 254 HA ILE 36 HA ILE 36 -2.596 -2.134 -6.857 255 HB ILE 36 HB ILE 36 -2.177 -0.029 -4.690 256 1HG1 ILE 36 2HG1 ILE 36 -1.721 0.201 -7.694 257 2HG1 ILE 36 3HG1 ILE 36 -3.158 0.807 -6.870 258 1HG2 ILE 36 1HG2 ILE 36 -0.098 -1.362 -6.489 259 2HG2 ILE 36 2HG2 ILE 36 0.213 0.005 -5.400 260 3HG2 ILE 36 3HG2 ILE 36 -0.232 -1.541 -4.724 261 1HD1 ILE 36 1HD1 ILE 36 -1.764 2.665 -7.176 262 2HD1 ILE 36 2HD1 ILE 36 -1.676 2.246 -5.450 263 3HD1 ILE 36 3HD1 ILE 36 -0.333 1.834 -6.545 264 H ASP 37 H ASP 37 -1.480 -3.879 -6.146 265 HA ASP 37 HA ASP 37 -1.873 -4.945 -3.380 266 1HB ASP 37 2HB ASP 37 -0.868 -6.133 -6.008 267 2HB ASP 37 3HB ASP 37 -0.708 -6.934 -4.454 268 H MET 38 H MET 38 -0.254 -4.707 -1.955 269 HA MET 38 HA MET 38 2.529 -4.165 -2.868 270 1HB MET 38 2HB MET 38 1.282 -2.024 -2.460 271 2HB MET 38 3HB MET 38 1.001 -2.534 -0.797 272 1HG MET 38 2HG MET 38 2.849 -0.937 -0.979 273 2HG MET 38 3HG MET 38 3.411 -2.466 -0.341 274 1HE MET 38 1HE MET 38 5.316 -0.191 -1.338 275 2HE MET 38 2HE MET 38 5.901 -1.754 -0.722 276 3HE MET 38 3HE MET 38 6.527 -1.109 -2.257 277 H HIS 39 H HIS 39 4.145 -4.448 -1.158 278 HA HIS 39 HA HIS 39 3.281 -6.257 1.041 279 1HB HIS 39 2HB HIS 39 5.361 -7.557 0.706 280 2HB HIS 39 3HB HIS 39 4.180 -7.704 -0.583 281 HD1 HIS 39 HD1 HIS 39 6.819 -4.869 -0.407 282 HD2 HIS 39 HD2 HIS 39 5.761 -8.312 -2.580 283 HE1 HIS 39 HE1 HIS 39 8.373 -4.939 -2.441 284 H CYS 40 H CYS 40 4.161 -6.038 2.944 285 HA CYS 40 HA CYS 40 5.229 -3.591 3.832 286 1HB CYS 40 2HB CYS 40 3.843 -5.290 5.075 287 2HB CYS 40 3HB CYS 40 5.253 -6.355 5.125 288 H ASP 41 H ASP 41 7.262 -2.819 3.507 289 HA ASP 41 HA ASP 41 9.454 -4.355 2.527 290 1HB ASP 41 2HB ASP 41 9.055 -1.902 2.218 291 2HB ASP 41 3HB ASP 41 9.474 -1.644 3.911 292 H TYR 42 H TYR 42 8.299 -4.134 5.725 293 HA TYR 42 HA TYR 42 10.849 -4.528 7.115 294 1HB TYR 42 2HB TYR 42 7.950 -4.368 8.016 295 2HB TYR 42 3HB TYR 42 9.315 -4.525 9.084 296 HD1 TYR 42 HD1 TYR 42 7.660 -2.280 6.590 297 HD2 TYR 42 HD2 TYR 42 10.725 -2.606 9.615 298 HE1 TYR 42 HE1 TYR 42 8.011 0.183 6.503 299 HE2 TYR 42 HE2 TYR 42 11.047 -0.138 9.549 300 HH TYR 42 HH TYR 42 10.401 1.844 8.596 301 H CYS 43 H CYS 43 7.962 -6.489 6.381 302 HA CYS 43 HA CYS 43 9.449 -8.951 7.160 303 1HB CYS 43 2HB CYS 43 7.420 -9.759 8.350 304 2HB CYS 43 3HB CYS 43 8.193 -8.361 9.102 305 H GLY 44 H GLY 44 7.808 -7.589 4.598 306 1HA GLY 44 2HA GLY 44 7.391 -8.537 2.550 307 2HA GLY 44 3HA GLY 44 7.683 -10.142 3.214 308 H ASN 45 H ASN 45 5.336 -8.851 5.190 309 HA ASN 45 HA ASN 45 3.222 -10.498 4.193 310 1HB ASN 45 2HB ASN 45 3.374 -8.218 6.205 311 2HB ASN 45 3HB ASN 45 1.847 -8.998 5.784 312 1HD2 ASN 45 2HD2 ASN 45 4.857 -9.450 7.577 313 2HD2 ASN 45 1HD2 ASN 45 4.379 -11.019 8.206 314 H HIS 46 H HIS 46 1.518 -10.138 2.806 315 HA HIS 46 HA HIS 46 1.631 -7.698 1.148 316 1HB HIS 46 2HB HIS 46 0.382 -10.425 0.916 317 2HB HIS 46 3HB HIS 46 -0.276 -9.097 -0.024 318 HD1 HIS 46 HD1 HIS 46 1.019 -8.394 -2.175 319 HD2 HIS 46 HD2 HIS 46 3.131 -10.961 0.404 320 HE1 HIS 46 HE1 HIS 46 3.107 -9.122 -3.446 321 H TYR 47 H TYR 47 -0.177 -6.400 0.581 322 HA TYR 47 HA TYR 47 -2.665 -6.466 2.105 323 1HB TYR 47 2HB TYR 47 -0.552 -4.285 2.345 324 2HB TYR 47 3HB TYR 47 -2.249 -3.905 2.500 325 HD1 TYR 47 HD1 TYR 47 0.643 -5.203 4.224 326 HD2 TYR 47 HD2 TYR 47 -3.664 -4.995 4.278 327 HE1 TYR 47 HE1 TYR 47 0.643 -5.624 6.693 328 HE2 TYR 47 HE2 TYR 47 -3.665 -5.449 6.724 329 HH TYR 47 HH TYR 47 -2.410 -5.817 8.581 330 H LEU 48 H LEU 48 -4.171 -4.961 1.156 331 HA LEU 48 HA LEU 48 -3.475 -4.142 -1.596 332 1HB LEU 48 2HB LEU 48 -5.596 -4.663 -2.394 333 2HB LEU 48 3HB LEU 48 -5.101 -6.061 -1.459 334 HG LEU 48 HG LEU 48 -7.101 -3.917 -0.583 335 1HD1 LEU 48 1HD1 LEU 48 -8.775 -5.678 -0.880 336 2HD1 LEU 48 2HD1 LEU 48 -7.907 -5.381 -2.393 337 3HD1 LEU 48 3HD1 LEU 48 -7.515 -6.813 -1.417 338 1HD2 LEU 48 1HD2 LEU 48 -6.277 -6.506 0.808 339 2HD2 LEU 48 2HD2 LEU 48 -6.091 -4.846 1.435 340 3HD2 LEU 48 3HD2 LEU 48 -7.698 -5.529 1.237 341 H PHE 49 H PHE 49 -4.202 -2.105 -2.320 342 HA PHE 49 HA PHE 49 -5.399 -0.255 -0.290 343 1HB PHE 49 2HB PHE 49 -2.941 0.229 -2.019 344 2HB PHE 49 3HB PHE 49 -3.788 1.476 -1.112 345 HD1 PHE 49 HD1 PHE 49 -3.750 1.535 1.349 346 HD2 PHE 49 HD2 PHE 49 -1.562 -1.459 -0.850 347 HE1 PHE 49 HE1 PHE 49 -2.504 0.939 3.406 348 HE2 PHE 49 HE2 PHE 49 -0.326 -2.061 1.212 349 HZ PHE 49 HZ PHE 49 -0.780 -0.855 3.343 350 H ASN 50 H ASN 50 -6.694 1.338 -1.071 351 HA ASN 50 HA ASN 50 -7.508 1.150 -3.960 352 1HB ASN 50 2HB ASN 50 -9.207 1.921 -1.551 353 2HB ASN 50 3HB ASN 50 -9.764 1.609 -3.189 354 1HD2 ASN 50 2HD2 ASN 50 -8.587 0.107 -0.202 355 2HD2 ASN 50 1HD2 ASN 50 -9.157 -1.512 -0.631 356 H ALA 51 H ALA 51 -8.688 3.197 -4.699 357 HA ALA 51 HA ALA 51 -7.021 5.488 -4.538 358 1HB ALA 51 1HB ALA 51 -8.898 6.649 -5.645 359 2HB ALA 51 2HB ALA 51 -8.635 5.052 -6.366 360 3HB ALA 51 3HB ALA 51 -9.988 5.305 -5.243 361 H MET 52 H MET 52 -9.851 4.593 -2.589 362 HA MET 52 HA MET 52 -10.138 7.040 -1.106 363 1HB MET 52 2HB MET 52 -10.895 4.168 -0.421 364 2HB MET 52 3HB MET 52 -11.395 5.590 0.503 365 1HG MET 52 2HG MET 52 -12.516 6.515 -1.491 366 2HG MET 52 3HG MET 52 -12.077 5.085 -2.423 367 1HE MET 52 1HE MET 52 -14.307 2.267 -0.929 368 2HE MET 52 2HE MET 52 -13.142 2.729 -2.188 369 3HE MET 52 3HE MET 52 -12.621 2.599 -0.490 370 H ASP 53 H ASP 53 -8.146 4.107 -0.512 371 HA ASP 53 HA ASP 53 -7.201 4.915 2.119 372 1HB ASP 53 2HB ASP 53 -6.017 3.028 0.022 373 2HB ASP 53 3HB ASP 53 -5.409 3.233 1.643 374 H ILE 54 H ILE 54 -5.905 5.104 -1.205 375 HA ILE 54 HA ILE 54 -3.394 6.277 -0.567 376 HB ILE 54 HB ILE 54 -5.048 5.992 -3.073 377 1HG1 ILE 54 2HG1 ILE 54 -2.333 4.846 -2.292 378 2HG1 ILE 54 3HG1 ILE 54 -3.819 4.079 -1.759 379 1HG2 ILE 54 1HG2 ILE 54 -3.058 6.723 -4.379 380 2HG2 ILE 54 2HG2 ILE 54 -3.763 8.041 -3.453 381 3HG2 ILE 54 3HG2 ILE 54 -2.275 7.253 -2.873 382 1HD1 ILE 54 1HD1 ILE 54 -3.035 2.921 -3.688 383 2HD1 ILE 54 2HD1 ILE 54 -4.545 3.756 -4.077 384 3HD1 ILE 54 3HD1 ILE 54 -2.992 4.412 -4.650 385 H ALA 55 H ALA 55 -6.535 7.802 -1.240 386 HA ALA 55 HA ALA 55 -5.602 10.511 -1.327 387 1HB ALA 55 1HB ALA 55 -8.258 9.369 -0.358 388 2HB ALA 55 2HB ALA 55 -7.941 11.068 -0.774 389 3HB ALA 55 3HB ALA 55 -7.857 9.817 -2.034 390 H GLU 56 H GLU 56 -6.413 8.382 1.449 391 HA GLU 56 HA GLU 56 -6.000 10.484 3.448 392 1HB GLU 56 2HB GLU 56 -6.144 7.451 3.731 393 2HB GLU 56 3HB GLU 56 -6.022 8.601 5.065 394 1HG GLU 56 2HG GLU 56 -8.138 9.690 4.293 395 2HG GLU 56 3HG GLU 56 -8.316 8.438 3.067 396 H ILE 57 H ILE 57 -4.016 7.779 2.144 397 HA ILE 57 HA ILE 57 -1.714 8.147 3.784 398 HB ILE 57 HB ILE 57 -2.111 7.047 0.988 399 1HG1 ILE 57 2HG1 ILE 57 -1.437 5.588 3.578 400 2HG1 ILE 57 3HG1 ILE 57 -3.091 5.889 3.085 401 1HG2 ILE 57 1HG2 ILE 57 0.156 6.003 1.178 402 2HG2 ILE 57 2HG2 ILE 57 0.212 7.748 1.040 403 3HG2 ILE 57 3HG2 ILE 57 0.451 6.980 2.631 404 1HD1 ILE 57 1HD1 ILE 57 -2.707 4.619 0.967 405 2HD1 ILE 57 2HD1 ILE 57 -1.081 4.195 1.551 406 3HD1 ILE 57 3HD1 ILE 57 -2.510 3.651 2.438 407 H ARG 58 H ARG 58 -2.679 9.809 0.813 408 HA ARG 58 HA ARG 58 -0.263 11.401 0.466 409 1HB ARG 58 2HB ARG 58 -3.100 11.551 -0.624 410 2HB ARG 58 3HB ARG 58 -1.894 12.788 -0.998 411 1HG ARG 58 2HG ARG 58 -0.388 11.170 -1.981 412 2HG ARG 58 3HG ARG 58 -1.426 9.818 -1.509 413 1HD ARG 58 2HD ARG 58 -3.211 10.618 -2.983 414 2HD ARG 58 3HD ARG 58 -2.243 12.045 -3.416 415 HE ARG 58 HE ARG 58 -0.669 9.768 -3.976 416 1HH1 ARG 58 1HH2 ARG 58 -3.606 11.180 -5.258 417 2HH1 ARG 58 2HH2 ARG 58 -3.324 10.547 -6.856 418 1HH2 ARG 58 1HH1 ARG 58 -0.354 9.018 -6.032 419 2HH2 ARG 58 2HH1 ARG 58 -1.484 9.400 -7.291 420 H ASN 59 H ASN 59 -2.747 11.598 2.729 421 HA ASN 59 HA ASN 59 -1.933 14.336 3.617 422 1HB ASN 59 2HB ASN 59 -4.651 12.942 3.723 423 2HB ASN 59 3HB ASN 59 -4.267 14.415 4.610 424 1HD2 ASN 59 2HD2 ASN 59 -5.050 13.124 1.433 425 2HD2 ASN 59 1HD2 ASN 59 -5.098 14.704 0.656 426 H ASN 60 H ASN 60 -0.794 11.621 4.144 427 HA ASN 60 HA ASN 60 -0.093 10.220 5.719 428 1HB ASN 60 2HB ASN 60 1.105 12.446 6.010 429 2HB ASN 60 3HB ASN 60 0.054 12.743 7.383 430 1HD2 ASN 60 2HD2 ASN 60 1.101 12.182 9.324 431 2HD2 ASN 60 1HD2 ASN 60 2.296 10.900 9.452 432 H ALA 61 H ALA 61 -2.928 10.294 5.655 433 HA ALA 61 HA ALA 61 -4.831 9.807 6.757 434 1HB ALA 61 1HB ALA 61 -3.622 7.672 6.552 435 2HB ALA 61 2HB ALA 61 -2.953 7.892 8.186 436 3HB ALA 61 3HB ALA 61 -4.703 7.685 7.956 437 H SER 62 H SER 62 -3.795 12.144 7.853 438 HA SER 62 HA SER 62 -4.692 12.064 10.719 439 1HB SER 62 2HB SER 62 -2.484 13.741 9.466 440 2HB SER 62 3HB SER 62 -3.086 13.900 11.126 441 HG SER 62 HG SER 62 -1.929 11.545 9.973
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