NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
9122 | 1ne5 | 5652 | cing | recoord | 1-original | 13 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ASP 1 1HT ASP 1 -10.101 14.931 -2.311 2 2H ASP 1 2HT ASP 1 -11.638 15.496 -2.827 3 3H ASP 1 3HT ASP 1 -10.212 16.056 -3.600 4 HA ASP 1 HA ASP 1 -11.062 13.244 -3.562 5 1HB ASP 1 2HB ASP 1 -11.801 15.550 -5.313 6 2HB ASP 1 1HB ASP 1 -11.574 13.973 -6.066 7 H ARG 2 H ARG 2 -8.479 13.990 -2.992 8 HA ARG 2 HA ARG 2 -7.092 12.995 -5.347 9 1HB ARG 2 2HB ARG 2 -6.480 15.641 -4.041 10 2HB ARG 2 1HB ARG 2 -5.288 14.768 -4.994 11 1HG ARG 2 2HG ARG 2 -6.706 14.893 -6.948 12 2HG ARG 2 1HG ARG 2 -7.976 15.673 -6.005 13 1HD ARG 2 2HD ARG 2 -5.723 17.227 -5.542 14 2HD ARG 2 1HD ARG 2 -5.623 16.814 -7.254 15 HE ARG 2 HE ARG 2 -8.227 17.621 -6.790 16 1HH1 ARG 2 1HH1 ARG 2 -5.038 19.020 -6.567 17 2HH1 ARG 2 2HH1 ARG 2 -5.584 20.629 -6.899 18 1HH2 ARG 2 1HH2 ARG 2 -8.948 19.736 -7.227 19 2HH2 ARG 2 2HH2 ARG 2 -7.804 21.036 -7.274 20 H ASP 3 H ASP 3 -7.616 11.559 -3.114 21 HA ASP 3 HA ASP 3 -5.639 11.712 -1.097 22 1HB ASP 3 2HB ASP 3 -7.939 10.173 -1.588 23 2HB ASP 3 1HB ASP 3 -6.616 9.018 -1.470 24 H SER 4 H SER 4 -6.010 8.998 -3.366 25 HA SER 4 HA SER 4 -4.486 7.666 -4.403 26 1HB SER 4 2HB SER 4 -3.919 10.189 -5.204 27 2HB SER 4 1HB SER 4 -2.375 9.739 -4.479 28 HG SER 4 HG SER 4 -3.080 9.163 -6.855 29 H CYS 5 H CYS 5 -4.005 6.203 -2.812 30 HA CYS 5 HA CYS 5 -2.307 6.709 -0.615 31 1HB CYS 5 2HB CYS 5 -3.113 4.108 -1.927 32 2HB CYS 5 1HB CYS 5 -2.239 4.217 -0.402 33 H VAL 6 H VAL 6 -1.680 5.856 -3.913 34 HA VAL 6 HA VAL 6 0.793 4.633 -3.774 35 HB VAL 6 HB VAL 6 0.110 6.689 -5.842 36 1HG1 VAL 6 1HG1 VAL 6 1.315 4.687 -7.159 37 2HG1 VAL 6 2HG1 VAL 6 2.083 4.519 -5.581 38 3HG1 VAL 6 3HG1 VAL 6 2.186 6.048 -6.453 39 1HG2 VAL 6 1HG2 VAL 6 -1.356 4.332 -5.186 40 2HG2 VAL 6 2HG2 VAL 6 -0.589 4.112 -6.759 41 3HG2 VAL 6 3HG2 VAL 6 -1.650 5.493 -6.481 42 H ASP 7 H ASP 7 0.039 8.091 -3.709 43 HA ASP 7 HA ASP 7 2.865 8.652 -3.127 44 1HB ASP 7 2HB ASP 7 1.505 9.823 -5.033 45 2HB ASP 7 1HB ASP 7 0.844 10.788 -3.716 46 H LYS 8 H LYS 8 0.821 7.620 -1.217 47 HA LYS 8 HA LYS 8 1.112 9.749 0.789 48 1HB LYS 8 2HB LYS 8 -1.298 9.115 -0.293 49 2HB LYS 8 1HB LYS 8 -1.252 8.003 1.067 50 1HG LYS 8 2HG LYS 8 -2.366 10.042 1.700 51 2HG LYS 8 1HG LYS 8 -0.845 9.891 2.581 52 1HD LYS 8 2HD LYS 8 -0.456 11.992 1.906 53 2HD LYS 8 1HD LYS 8 -0.087 11.270 0.338 54 1HE LYS 8 2HE LYS 8 -1.629 12.851 -0.278 55 2HE LYS 8 1HE LYS 8 -2.679 11.462 -0.008 56 1HZ LYS 8 1HZ LYS 8 -3.609 12.404 1.796 57 2HZ LYS 8 2HZ LYS 8 -3.102 13.847 1.075 58 3HZ LYS 8 3HZ LYS 8 -2.176 13.147 2.305 59 H SER 9 H SER 9 0.276 6.308 0.372 60 HA SER 9 HA SER 9 1.512 5.712 2.953 61 1HB SER 9 2HB SER 9 -0.735 4.772 2.409 62 2HB SER 9 1HB SER 9 0.005 3.857 1.096 63 HG SER 9 HG SER 9 1.293 2.803 2.656 64 H ARG 10 H ARG 10 3.519 4.968 3.097 65 HA ARG 10 HA ARG 10 5.152 4.554 0.833 66 1HB ARG 10 2HB ARG 10 5.607 5.001 3.494 67 2HB ARG 10 1HB ARG 10 6.068 3.310 3.336 68 1HG ARG 10 2HG ARG 10 7.502 4.049 1.367 69 2HG ARG 10 1HG ARG 10 7.225 5.697 1.934 70 1HD ARG 10 2HD ARG 10 8.325 5.296 3.971 71 2HD ARG 10 1HD ARG 10 8.267 3.547 3.752 72 HE ARG 10 HE ARG 10 10.210 3.688 2.569 73 1HH1 ARG 10 1HH1 ARG 10 8.726 6.847 2.619 74 2HH1 ARG 10 2HH1 ARG 10 10.063 7.624 1.838 75 1HH2 ARG 10 1HH2 ARG 10 11.969 4.710 1.542 76 2HH2 ARG 10 2HH2 ARG 10 11.904 6.411 1.227 77 H CYS 11 H CYS 11 6.664 2.303 1.419 78 HA CYS 11 HA CYS 11 5.200 -0.064 1.775 79 1HB CYS 11 2HB CYS 11 4.354 0.929 -0.512 80 2HB CYS 11 1HB CYS 11 5.863 0.271 -1.127 81 H ALA 12 H ALA 12 6.476 -2.004 0.810 82 HA ALA 12 HA ALA 12 9.272 -1.557 1.464 83 1HB ALA 12 1HB ALA 12 8.797 -3.480 2.525 84 2HB ALA 12 2HB ALA 12 9.074 -4.222 0.949 85 3HB ALA 12 3HB ALA 12 7.431 -3.841 1.468 86 H LYS 13 H LYS 13 10.737 -3.231 0.088 87 HA LYS 13 HA LYS 13 11.276 -2.066 -2.324 88 1HB LYS 13 2HB LYS 13 12.573 -3.871 -0.971 89 2HB LYS 13 1HB LYS 13 11.710 -5.012 -1.989 90 1HG LYS 13 2HG LYS 13 12.657 -3.995 -3.978 91 2HG LYS 13 1HG LYS 13 13.479 -2.790 -2.986 92 1HD LYS 13 2HD LYS 13 14.751 -4.578 -1.885 93 2HD LYS 13 1HD LYS 13 13.939 -5.773 -2.899 94 1HE LYS 13 2HE LYS 13 15.214 -5.302 -4.691 95 2HE LYS 13 1HE LYS 13 15.203 -3.569 -4.368 96 1HZ LYS 13 1HZ LYS 13 16.964 -5.629 -3.176 97 2HZ LYS 13 2HZ LYS 13 16.810 -4.079 -2.518 98 3HZ LYS 13 3HZ LYS 13 17.410 -4.274 -4.086 99 H TYR 14 H TYR 14 9.272 -4.968 -1.824 100 HA TYR 14 HA TYR 14 7.399 -4.368 -3.776 101 1HB TYR 14 2HB TYR 14 8.170 -6.220 -5.453 102 2HB TYR 14 1HB TYR 14 8.835 -4.596 -5.577 103 HD1 TYR 14 1HD TYR 14 9.632 -7.610 -3.503 104 HD2 TYR 14 2HD TYR 14 11.056 -4.622 -6.176 105 HE1 TYR 14 1HE TYR 14 11.902 -8.539 -3.323 106 HE2 TYR 14 2HE TYR 14 13.330 -5.543 -6.004 107 HH TYR 14 HH TYR 14 14.132 -8.324 -5.192 108 H GLY 15 H GLY 15 5.959 -6.188 -4.289 109 1HA GLY 15 2HA GLY 15 5.493 -8.581 -3.863 110 2HA GLY 15 1HA GLY 15 6.203 -8.341 -2.274 111 H TYR 16 H TYR 16 4.564 -8.696 -0.904 112 HA TYR 16 HA TYR 16 2.042 -7.250 -1.378 113 1HB TYR 16 2HB TYR 16 2.007 -9.798 -1.296 114 2HB TYR 16 1HB TYR 16 2.382 -9.650 0.416 115 HD1 TYR 16 1HD TYR 16 0.768 -7.982 1.727 116 HD2 TYR 16 2HD TYR 16 -0.214 -9.979 -1.898 117 HE1 TYR 16 1HE TYR 16 -1.623 -7.714 2.234 118 HE2 TYR 16 2HE TYR 16 -2.607 -9.716 -1.401 119 HH TYR 16 HH TYR 16 -3.892 -9.275 1.285 120 H TYR 17 H TYR 17 1.779 -5.529 -0.139 121 HA TYR 17 HA TYR 17 2.928 -5.553 2.576 122 1HB TYR 17 2HB TYR 17 3.955 -3.920 0.943 123 2HB TYR 17 1HB TYR 17 2.403 -3.097 0.894 124 HD1 TYR 17 1HD TYR 17 3.057 -1.006 1.792 125 HD2 TYR 17 2HD TYR 17 3.944 -4.584 3.919 126 HE1 TYR 17 1HE TYR 17 3.706 0.327 3.752 127 HE2 TYR 17 2HE TYR 17 4.592 -3.260 5.886 128 HH TYR 17 HH TYR 17 3.943 0.093 6.142 129 H GLN 18 H GLN 18 1.307 -5.995 3.923 130 HA GLN 18 HA GLN 18 -1.385 -5.757 3.561 131 1HB GLN 18 2HB GLN 18 0.108 -6.655 5.574 132 2HB GLN 18 1HB GLN 18 -0.364 -5.115 6.281 133 1HG GLN 18 2HG GLN 18 -2.671 -5.669 6.149 134 2HG GLN 18 1HG GLN 18 -2.332 -7.097 5.172 135 1HE2 GLN 18 1HE2 GLN 18 -3.592 -6.575 7.890 136 2HE2 GLN 18 2HE2 GLN 18 -2.816 -7.715 8.930 137 H GLU 19 H GLU 19 0.848 -3.202 4.373 138 HA GLU 19 HA GLU 19 -1.040 -1.311 5.290 139 1HB GLU 19 2HB GLU 19 1.690 -1.389 5.106 140 2HB GLU 19 1HB GLU 19 1.283 -0.227 3.852 141 1HG GLU 19 2HG GLU 19 1.081 1.337 5.395 142 2HG GLU 19 1HG GLU 19 -0.264 0.445 6.102 143 H CYS 20 H CYS 20 0.344 -1.936 2.088 144 HA CYS 20 HA CYS 20 -1.009 0.162 0.763 145 1HB CYS 20 2HB CYS 20 1.026 -1.138 -0.051 146 2HB CYS 20 1HB CYS 20 -0.095 -2.412 -0.518 147 H GLN 21 H GLN 21 -1.647 -3.352 0.763 148 HA GLN 21 HA GLN 21 -4.001 -3.303 -0.695 149 1HB GLN 21 2HB GLN 21 -4.507 -5.472 0.265 150 2HB GLN 21 1HB GLN 21 -2.794 -5.361 -0.111 151 1HG GLN 21 2HG GLN 21 -2.261 -5.838 1.958 152 2HG GLN 21 1HG GLN 21 -3.221 -4.497 2.569 153 1HE2 GLN 21 1HE2 GLN 21 -5.714 -5.077 2.268 154 2HE2 GLN 21 2HE2 GLN 21 -6.157 -6.584 2.987 155 H ASP 22 H ASP 22 -3.456 -2.554 2.672 156 HA ASP 22 HA ASP 22 -6.179 -2.624 3.485 157 1HB ASP 22 2HB ASP 22 -3.612 -1.720 4.641 158 2HB ASP 22 1HB ASP 22 -5.048 -0.904 5.253 159 H CYS 23 H CYS 23 -4.016 -0.034 2.397 160 HA CYS 23 HA CYS 23 -5.736 2.128 2.762 161 1HB CYS 23 2HB CYS 23 -3.208 1.901 1.945 162 2HB CYS 23 1HB CYS 23 -3.980 2.107 0.385 163 H CYS 24 H CYS 24 -5.077 0.395 -0.271 164 HA CYS 24 HA CYS 24 -6.977 1.574 -1.874 165 1HB CYS 24 2HB CYS 24 -5.190 -0.128 -2.512 166 2HB CYS 24 1HB CYS 24 -6.328 -1.370 -2.003 167 H LYS 25 H LYS 25 -7.401 -1.498 -0.103 168 HA LYS 25 HA LYS 25 -10.047 -1.978 -0.664 169 1HB LYS 25 2HB LYS 25 -8.717 -3.608 0.480 170 2HB LYS 25 1HB LYS 25 -8.452 -2.526 1.837 171 1HG LYS 25 2HG LYS 25 -11.196 -2.738 1.737 172 2HG LYS 25 1HG LYS 25 -10.643 -4.357 1.306 173 1HD LYS 25 2HD LYS 25 -10.123 -4.784 3.422 174 2HD LYS 25 1HD LYS 25 -9.073 -3.370 3.487 175 1HE LYS 25 2HE LYS 25 -11.961 -2.816 3.628 176 2HE LYS 25 1HE LYS 25 -11.288 -3.689 5.005 177 1HZ LYS 25 1HZ LYS 25 -9.765 -1.388 4.097 178 2HZ LYS 25 2HZ LYS 25 -10.111 -1.906 5.669 179 3HZ LYS 25 3HZ LYS 25 -11.268 -1.040 4.792 180 H ASN 26 H ASN 26 -8.699 0.156 1.811 181 HA ASN 26 HA ASN 26 -11.202 0.764 3.029 182 1HB ASN 26 2HB ASN 26 -8.534 1.205 3.640 183 2HB ASN 26 1HB ASN 26 -9.157 2.820 3.325 184 1HD2 ASN 26 1HD2 ASN 26 -8.550 0.767 5.712 185 2HD2 ASN 26 2HD2 ASN 26 -9.780 1.206 6.842 186 H ALA 27 H ALA 27 -9.514 1.949 0.255 187 HA ALA 27 HA ALA 27 -10.850 4.479 0.113 188 1HB ALA 27 1HB ALA 27 -8.604 3.802 -0.948 189 2HB ALA 27 2HB ALA 27 -9.693 4.833 -1.876 190 3HB ALA 27 3HB ALA 27 -9.590 3.109 -2.236 191 H GLY 28 H GLY 28 -11.406 1.262 -1.147 192 1HA GLY 28 2HA GLY 28 -13.973 1.009 -1.377 193 2HA GLY 28 1HA GLY 28 -13.744 2.218 -2.627 194 H HIS 29 H HIS 29 -11.525 -0.422 -1.919 195 HA HIS 29 HA HIS 29 -12.399 -1.815 -4.337 196 1HB HIS 29 2HB HIS 29 -9.511 -1.111 -3.785 197 2HB HIS 29 1HB HIS 29 -10.125 -1.986 -5.182 198 HD1 HIS 29 1HD HIS 29 -12.215 -0.354 -6.365 199 HD2 HIS 29 2HD HIS 29 -8.929 1.413 -4.535 200 HE1 HIS 29 1HE HIS 29 -12.073 1.963 -7.330 201 HE2 HIS 29 2HE HIS 29 -10.022 2.979 -6.278 202 H ASN 30 H ASN 30 -10.001 -3.557 -4.198 203 HA ASN 30 HA ASN 30 -10.845 -5.158 -1.887 204 1HB ASN 30 2HB ASN 30 -9.337 -6.129 -4.317 205 2HB ASN 30 1HB ASN 30 -10.137 -7.106 -3.090 206 1HD2 ASN 30 1HD2 ASN 30 -12.435 -7.095 -3.006 207 2HD2 ASN 30 2HD2 ASN 30 -13.359 -6.732 -4.419 208 H GLY 31 H GLY 31 -7.966 -4.111 -3.689 209 1HA GLY 31 2HA GLY 31 -6.410 -3.658 -1.412 210 2HA GLY 31 1HA GLY 31 -6.072 -5.292 -1.962 211 H GLY 32 H GLY 32 -3.930 -4.761 -2.457 212 1HA GLY 32 2HA GLY 32 -3.557 -3.784 -5.121 213 2HA GLY 32 1HA GLY 32 -2.966 -2.649 -3.918 214 H THR 33 H THR 33 -0.916 -3.096 -5.096 215 HA THR 33 HA THR 33 0.464 -5.340 -3.803 216 HB THR 33 HB THR 33 -0.051 -6.019 -6.107 217 HG1 THR 33 1HG THR 33 1.824 -6.885 -5.480 218 1HG2 THR 33 1HG2 THR 33 0.143 -3.532 -6.930 219 2HG2 THR 33 2HG2 THR 33 0.502 -4.889 -7.999 220 3HG2 THR 33 3HG2 THR 33 1.817 -4.005 -7.223 221 H CYS 34 H CYS 34 2.891 -5.092 -4.006 222 HA CYS 34 HA CYS 34 3.582 -2.266 -3.578 223 1HB CYS 34 2HB CYS 34 3.880 -4.069 -1.740 224 2HB CYS 34 1HB CYS 34 5.266 -4.589 -2.688 225 H MET 35 H MET 35 4.949 -1.285 -4.928 226 HA MET 35 HA MET 35 6.726 -2.924 -6.593 227 1HB MET 35 2HB MET 35 4.499 -1.251 -7.471 228 2HB MET 35 1HB MET 35 6.014 -0.834 -8.259 229 1HG MET 35 2HG MET 35 5.502 -3.705 -8.149 230 2HG MET 35 1HG MET 35 4.292 -2.796 -9.052 231 1HE MET 35 1HE MET 35 5.895 -1.890 -12.272 232 2HE MET 35 2HE MET 35 4.925 -1.110 -11.023 233 3HE MET 35 3HE MET 35 4.536 -2.749 -11.547 234 H PHE 36 H PHE 36 8.629 -2.319 -5.680 235 HA PHE 36 HA PHE 36 10.359 -1.014 -4.974 236 1HB PHE 36 2HB PHE 36 10.608 -0.773 -7.359 237 2HB PHE 36 1HB PHE 36 9.409 0.508 -7.397 238 HD1 PHE 36 1HD PHE 36 12.703 -0.340 -5.943 239 HD2 PHE 36 2HD PHE 36 10.090 2.724 -7.296 240 HE1 PHE 36 1HE PHE 36 14.504 1.314 -5.649 241 HE2 PHE 36 2HE PHE 36 11.880 4.388 -7.008 242 HZ PHE 36 HZ PHE 36 14.092 3.684 -6.183 243 H PHE 37 H PHE 37 8.852 -0.514 -3.080 244 HA PHE 37 HA PHE 37 8.141 0.946 -1.500 245 1HB PHE 37 2HB PHE 37 9.700 3.053 -2.992 246 2HB PHE 37 1HB PHE 37 9.340 2.991 -1.269 247 HD1 PHE 37 1HD PHE 37 9.974 0.046 -0.878 248 HD2 PHE 37 2HD PHE 37 12.060 3.178 -2.865 249 HE1 PHE 37 1HE PHE 37 12.100 -1.122 -0.474 250 HE2 PHE 37 2HE PHE 37 14.192 2.013 -2.466 251 HZ PHE 37 HZ PHE 37 14.212 -0.143 -1.271 252 H LYS 38 H LYS 38 6.720 0.782 -4.221 253 HA LYS 38 HA LYS 38 5.190 3.285 -3.942 254 1HB LYS 38 2HB LYS 38 5.314 1.510 -6.385 255 2HB LYS 38 1HB LYS 38 4.526 3.074 -6.256 256 1HG LYS 38 2HG LYS 38 6.874 3.969 -5.687 257 2HG LYS 38 1HG LYS 38 7.448 2.447 -6.372 258 1HD LYS 38 2HD LYS 38 7.443 4.169 -8.076 259 2HD LYS 38 1HD LYS 38 6.220 2.952 -8.452 260 1HE LYS 38 2HE LYS 38 4.461 4.362 -7.843 261 2HE LYS 38 1HE LYS 38 5.517 5.436 -6.927 262 1HZ LYS 38 1HZ LYS 38 4.646 5.978 -9.375 263 2HZ LYS 38 2HZ LYS 38 6.095 5.199 -9.764 264 3HZ LYS 38 3HZ LYS 38 6.112 6.563 -8.766 265 H CYS 39 H CYS 39 3.008 3.182 -3.653 266 HA CYS 39 HA CYS 39 1.924 0.509 -3.119 267 1HB CYS 39 2HB CYS 39 1.869 2.044 -1.226 268 2HB CYS 39 1HB CYS 39 0.988 3.228 -2.184 269 H LYS 40 H LYS 40 0.936 -0.286 -4.859 270 HA LYS 40 HA LYS 40 -0.877 1.484 -6.364 271 1HB LYS 40 2HB LYS 40 1.170 0.202 -7.456 272 2HB LYS 40 1HB LYS 40 0.033 -1.140 -7.467 273 1HG LYS 40 2HG LYS 40 -1.287 -0.192 -9.050 274 2HG LYS 40 1HG LYS 40 -0.914 1.455 -8.537 275 1HD LYS 40 2HD LYS 40 1.472 0.889 -9.429 276 2HD LYS 40 1HD LYS 40 0.631 -0.373 -10.330 277 1HE LYS 40 2HE LYS 40 -0.416 2.420 -10.396 278 2HE LYS 40 1HE LYS 40 0.989 2.003 -11.376 279 1HZ LYS 40 1HZ LYS 40 -0.588 1.438 -12.856 280 2HZ LYS 40 2HZ LYS 40 -1.787 1.212 -11.684 281 3HZ LYS 40 3HZ LYS 40 -0.649 -0.005 -11.976 282 H CYS 41 H CYS 41 -2.837 0.391 -7.247 283 HA CYS 41 HA CYS 41 -4.002 -1.287 -5.178 284 1HB CYS 41 2HB CYS 41 -5.054 0.455 -7.353 285 2HB CYS 41 1HB CYS 41 -6.067 -0.838 -6.760 286 H ALA 42 H ALA 42 -5.895 -2.693 -6.397 287 HA ALA 42 HA ALA 42 -4.496 -4.369 -8.379 288 1HB ALA 42 1HB ALA 42 -4.875 -5.163 -5.834 289 2HB ALA 42 2HB ALA 42 -4.821 -6.269 -7.206 290 3HB ALA 42 3HB ALA 42 -6.375 -5.736 -6.565 Start of MODEL 2 1 1H ASP 1 1HT ASP 1 -10.635 17.345 -3.837 2 2H ASP 1 2HT ASP 1 -10.131 17.117 -5.462 3 3H ASP 1 3HT ASP 1 -9.164 16.531 -4.171 4 HA ASP 1 HA ASP 1 -11.113 15.139 -3.534 5 1HB ASP 1 2HB ASP 1 -12.423 16.660 -5.332 6 2HB ASP 1 1HB ASP 1 -11.967 15.314 -6.374 7 H ARG 2 H ARG 2 -9.066 14.026 -3.429 8 HA ARG 2 HA ARG 2 -8.859 11.873 -5.199 9 1HB ARG 2 2HB ARG 2 -7.999 13.521 -6.787 10 2HB ARG 2 1HB ARG 2 -6.774 14.019 -5.629 11 1HG ARG 2 2HG ARG 2 -5.733 11.831 -5.752 12 2HG ARG 2 1HG ARG 2 -6.990 11.280 -6.861 13 1HD ARG 2 2HD ARG 2 -4.961 11.884 -8.069 14 2HD ARG 2 1HD ARG 2 -6.293 12.957 -8.493 15 HE ARG 2 HE ARG 2 -4.965 14.228 -6.459 16 1HH1 ARG 2 1HH1 ARG 2 -4.123 13.034 -9.628 17 2HH1 ARG 2 2HH1 ARG 2 -2.896 14.228 -9.889 18 1HH2 ARG 2 1HH2 ARG 2 -3.349 15.799 -6.800 19 2HH2 ARG 2 2HH2 ARG 2 -2.456 15.797 -8.284 20 H ASP 3 H ASP 3 -8.421 10.469 -3.646 21 HA ASP 3 HA ASP 3 -6.837 11.049 -1.361 22 1HB ASP 3 2HB ASP 3 -8.661 9.098 -2.024 23 2HB ASP 3 1HB ASP 3 -7.144 8.205 -2.011 24 H SER 4 H SER 4 -6.244 8.482 -3.760 25 HA SER 4 HA SER 4 -4.321 7.619 -4.618 26 1HB SER 4 2HB SER 4 -4.066 9.742 -5.723 27 2HB SER 4 1HB SER 4 -3.439 10.488 -4.254 28 HG SER 4 HG SER 4 -1.996 9.508 -6.104 29 H CYS 5 H CYS 5 -3.803 6.165 -3.014 30 HA CYS 5 HA CYS 5 -2.290 7.026 -0.698 31 1HB CYS 5 2HB CYS 5 -4.084 5.169 -0.763 32 2HB CYS 5 1HB CYS 5 -2.819 4.164 -1.460 33 H VAL 6 H VAL 6 -1.635 5.857 -3.854 34 HA VAL 6 HA VAL 6 0.688 4.420 -3.615 35 HB VAL 6 HB VAL 6 0.314 6.536 -5.703 36 1HG1 VAL 6 1HG1 VAL 6 2.433 5.627 -5.976 37 2HG1 VAL 6 2HG1 VAL 6 1.443 4.670 -7.078 38 3HG1 VAL 6 3HG1 VAL 6 1.905 4.012 -5.508 39 1HG2 VAL 6 1HG2 VAL 6 -1.400 4.332 -5.122 40 2HG2 VAL 6 2HG2 VAL 6 -0.589 4.037 -6.660 41 3HG2 VAL 6 3HG2 VAL 6 -1.521 5.514 -6.425 42 H ASP 7 H ASP 7 0.374 7.953 -3.706 43 HA ASP 7 HA ASP 7 3.212 8.232 -3.078 44 1HB ASP 7 2HB ASP 7 1.687 9.664 -4.765 45 2HB ASP 7 1HB ASP 7 1.472 10.628 -3.306 46 H LYS 8 H LYS 8 0.095 8.457 -1.587 47 HA LYS 8 HA LYS 8 0.763 10.118 0.594 48 1HB LYS 8 2HB LYS 8 -1.557 9.281 -0.264 49 2HB LYS 8 1HB LYS 8 -1.267 7.923 0.814 50 1HG LYS 8 2HG LYS 8 -0.720 10.319 2.239 51 2HG LYS 8 1HG LYS 8 -2.283 10.489 1.436 52 1HD LYS 8 2HD LYS 8 -1.511 8.105 3.110 53 2HD LYS 8 1HD LYS 8 -2.380 9.505 3.742 54 1HE LYS 8 2HE LYS 8 -3.881 8.919 1.571 55 2HE LYS 8 1HE LYS 8 -3.315 7.310 2.015 56 1HZ LYS 8 1HZ LYS 8 -4.642 9.193 3.889 57 2HZ LYS 8 2HZ LYS 8 -4.218 7.584 4.200 58 3HZ LYS 8 3HZ LYS 8 -5.433 7.936 3.077 59 H SER 9 H SER 9 0.209 6.590 0.667 60 HA SER 9 HA SER 9 1.846 6.400 3.063 61 1HB SER 9 2HB SER 9 -0.424 5.169 2.551 62 2HB SER 9 1HB SER 9 0.624 4.014 1.727 63 HG SER 9 HG SER 9 1.741 3.717 3.668 64 H ARG 10 H ARG 10 3.459 4.642 3.242 65 HA ARG 10 HA ARG 10 5.166 4.639 0.879 66 1HB ARG 10 2HB ARG 10 5.734 5.038 3.509 67 2HB ARG 10 1HB ARG 10 6.118 3.330 3.344 68 1HG ARG 10 2HG ARG 10 7.424 4.159 1.225 69 2HG ARG 10 1HG ARG 10 7.408 5.696 2.089 70 1HD ARG 10 2HD ARG 10 8.218 3.225 3.545 71 2HD ARG 10 1HD ARG 10 9.362 3.971 2.429 72 HE ARG 10 HE ARG 10 8.341 5.957 4.117 73 1HH1 ARG 10 1HH1 ARG 10 10.381 3.130 4.278 74 2HH1 ARG 10 2HH1 ARG 10 11.310 3.722 5.614 75 1HH2 ARG 10 1HH2 ARG 10 9.560 6.736 5.877 76 2HH2 ARG 10 2HH2 ARG 10 10.843 5.768 6.523 77 H CYS 11 H CYS 11 6.664 2.352 1.362 78 HA CYS 11 HA CYS 11 5.086 0.016 1.651 79 1HB CYS 11 2HB CYS 11 4.485 1.096 -0.689 80 2HB CYS 11 1HB CYS 11 5.990 0.331 -1.180 81 H ALA 12 H ALA 12 6.364 -1.951 0.710 82 HA ALA 12 HA ALA 12 9.110 -1.635 1.610 83 1HB ALA 12 1HB ALA 12 8.827 -4.279 0.957 84 2HB ALA 12 2HB ALA 12 7.187 -3.828 1.428 85 3HB ALA 12 3HB ALA 12 8.527 -3.583 2.550 86 H LYS 13 H LYS 13 10.632 -3.317 0.293 87 HA LYS 13 HA LYS 13 11.357 -2.087 -2.044 88 1HB LYS 13 2HB LYS 13 12.417 -4.007 -0.527 89 2HB LYS 13 1HB LYS 13 11.822 -5.005 -1.838 90 1HG LYS 13 2HG LYS 13 13.252 -4.071 -3.384 91 2HG LYS 13 1HG LYS 13 13.451 -2.586 -2.450 92 1HD LYS 13 2HD LYS 13 14.571 -5.302 -1.759 93 2HD LYS 13 1HD LYS 13 15.475 -3.916 -2.365 94 1HE LYS 13 2HE LYS 13 14.347 -2.768 -0.242 95 2HE LYS 13 1HE LYS 13 14.374 -4.435 0.334 96 1HZ LYS 13 1HZ LYS 13 16.681 -2.777 -0.511 97 2HZ LYS 13 2HZ LYS 13 16.790 -4.446 -0.267 98 3HZ LYS 13 3HZ LYS 13 16.381 -3.429 1.021 99 H TYR 14 H TYR 14 9.266 -4.936 -1.674 100 HA TYR 14 HA TYR 14 7.584 -4.371 -3.788 101 1HB TYR 14 2HB TYR 14 8.535 -6.308 -5.339 102 2HB TYR 14 1HB TYR 14 9.070 -4.640 -5.513 103 HD1 TYR 14 1HD TYR 14 10.014 -7.385 -3.150 104 HD2 TYR 14 2HD TYR 14 11.301 -4.592 -6.088 105 HE1 TYR 14 1HE TYR 14 12.339 -8.102 -2.802 106 HE2 TYR 14 2HE TYR 14 13.631 -5.301 -5.749 107 HH TYR 14 HH TYR 14 14.637 -7.118 -3.126 108 H GLY 15 H GLY 15 6.105 -6.107 -4.301 109 1HA GLY 15 2HA GLY 15 5.525 -8.476 -3.953 110 2HA GLY 15 1HA GLY 15 6.266 -8.340 -2.367 111 H TYR 16 H TYR 16 4.653 -8.657 -0.969 112 HA TYR 16 HA TYR 16 2.137 -7.194 -1.386 113 1HB TYR 16 2HB TYR 16 2.086 -9.718 -1.187 114 2HB TYR 16 1HB TYR 16 2.586 -9.518 0.489 115 HD1 TYR 16 1HD TYR 16 1.074 -7.888 1.907 116 HD2 TYR 16 2HD TYR 16 -0.172 -9.828 -1.669 117 HE1 TYR 16 1HE TYR 16 -1.275 -7.598 2.575 118 HE2 TYR 16 2HE TYR 16 -2.524 -9.543 -1.011 119 HH TYR 16 HH TYR 16 -3.746 -7.672 0.692 120 H TYR 17 H TYR 17 1.520 -5.658 0.001 121 HA TYR 17 HA TYR 17 2.913 -5.442 2.580 122 1HB TYR 17 2HB TYR 17 3.645 -3.810 0.655 123 2HB TYR 17 1HB TYR 17 2.157 -2.968 1.068 124 HD1 TYR 17 1HD TYR 17 2.886 -0.991 2.072 125 HD2 TYR 17 2HD TYR 17 4.565 -4.693 3.326 126 HE1 TYR 17 1HE TYR 17 4.052 0.166 3.903 127 HE2 TYR 17 2HE TYR 17 5.732 -3.548 5.163 128 HH TYR 17 HH TYR 17 6.550 -0.909 5.461 129 H GLN 18 H GLN 18 1.388 -5.826 4.048 130 HA GLN 18 HA GLN 18 -1.338 -5.698 3.764 131 1HB GLN 18 2HB GLN 18 0.272 -6.482 5.749 132 2HB GLN 18 1HB GLN 18 -0.247 -4.944 6.425 133 1HG GLN 18 2HG GLN 18 -1.917 -6.177 7.265 134 2HG GLN 18 1HG GLN 18 -2.624 -5.944 5.666 135 1HE2 GLN 18 1HE2 GLN 18 -3.758 -7.942 6.399 136 2HE2 GLN 18 2HE2 GLN 18 -3.019 -9.458 6.028 137 H GLU 19 H GLU 19 0.874 -3.081 4.437 138 HA GLU 19 HA GLU 19 -1.039 -1.196 5.334 139 1HB GLU 19 2HB GLU 19 1.656 -1.220 5.251 140 2HB GLU 19 1HB GLU 19 1.330 -0.213 3.846 141 1HG GLU 19 2HG GLU 19 -0.311 0.930 5.654 142 2HG GLU 19 1HG GLU 19 0.980 0.353 6.707 143 H CYS 20 H CYS 20 0.243 -2.014 2.150 144 HA CYS 20 HA CYS 20 -1.103 0.079 0.770 145 1HB CYS 20 2HB CYS 20 0.941 -1.245 -0.012 146 2HB CYS 20 1HB CYS 20 -0.190 -2.517 -0.459 147 H GLN 21 H GLN 21 -1.710 -3.435 0.926 148 HA GLN 21 HA GLN 21 -4.076 -3.464 -0.521 149 1HB GLN 21 2HB GLN 21 -4.558 -5.597 0.551 150 2HB GLN 21 1HB GLN 21 -2.860 -5.493 0.108 151 1HG GLN 21 2HG GLN 21 -2.254 -5.899 2.171 152 2HG GLN 21 1HG GLN 21 -3.180 -4.526 2.763 153 1HE2 GLN 21 1HE2 GLN 21 -5.731 -5.238 2.325 154 2HE2 GLN 21 2HE2 GLN 21 -6.135 -6.657 3.224 155 H ASP 22 H ASP 22 -3.505 -2.640 2.832 156 HA ASP 22 HA ASP 22 -6.225 -2.674 3.655 157 1HB ASP 22 2HB ASP 22 -4.230 -2.761 5.190 158 2HB ASP 22 1HB ASP 22 -3.975 -1.050 4.857 159 H CYS 23 H CYS 23 -4.039 -0.093 2.578 160 HA CYS 23 HA CYS 23 -5.749 2.075 2.886 161 1HB CYS 23 2HB CYS 23 -3.217 1.793 2.078 162 2HB CYS 23 1HB CYS 23 -3.987 2.020 0.520 163 H CYS 24 H CYS 24 -5.128 0.181 -0.049 164 HA CYS 24 HA CYS 24 -6.951 1.386 -1.735 165 1HB CYS 24 2HB CYS 24 -5.193 -0.395 -2.261 166 2HB CYS 24 1HB CYS 24 -6.407 -1.576 -1.782 167 H LYS 25 H LYS 25 -7.529 -1.661 0.057 168 HA LYS 25 HA LYS 25 -10.202 -1.958 -0.579 169 1HB LYS 25 2HB LYS 25 -10.391 -3.433 1.307 170 2HB LYS 25 1HB LYS 25 -8.802 -3.651 0.589 171 1HG LYS 25 2HG LYS 25 -7.750 -3.020 2.451 172 2HG LYS 25 1HG LYS 25 -8.842 -1.664 2.724 173 1HD LYS 25 2HD LYS 25 -10.102 -4.259 3.154 174 2HD LYS 25 1HD LYS 25 -8.727 -3.968 4.222 175 1HE LYS 25 2HE LYS 25 -11.053 -2.087 3.834 176 2HE LYS 25 1HE LYS 25 -10.872 -3.207 5.184 177 1HZ LYS 25 1HZ LYS 25 -8.569 -1.948 5.362 178 2HZ LYS 25 2HZ LYS 25 -9.970 -1.367 6.113 179 3HZ LYS 25 3HZ LYS 25 -9.466 -0.708 4.639 180 H ASN 26 H ASN 26 -8.733 0.194 1.733 181 HA ASN 26 HA ASN 26 -11.201 0.843 3.065 182 1HB ASN 26 2HB ASN 26 -8.509 1.179 3.649 183 2HB ASN 26 1HB ASN 26 -9.071 2.815 3.335 184 1HD2 ASN 26 1HD2 ASN 26 -8.343 1.084 5.786 185 2HD2 ASN 26 2HD2 ASN 26 -9.610 1.446 6.903 186 H ALA 27 H ALA 27 -9.494 1.921 0.266 187 HA ALA 27 HA ALA 27 -10.749 4.504 0.118 188 1HB ALA 27 1HB ALA 27 -8.823 2.963 -1.489 189 2HB ALA 27 2HB ALA 27 -8.843 4.677 -1.072 190 3HB ALA 27 3HB ALA 27 -9.847 4.078 -2.393 191 H GLY 28 H GLY 28 -11.383 1.294 -1.102 192 1HA GLY 28 2HA GLY 28 -13.928 1.081 -1.399 193 2HA GLY 28 1HA GLY 28 -13.672 2.308 -2.626 194 H HIS 29 H HIS 29 -11.542 -0.410 -1.910 195 HA HIS 29 HA HIS 29 -12.395 -1.743 -4.367 196 1HB HIS 29 2HB HIS 29 -9.474 -1.228 -3.822 197 2HB HIS 29 1HB HIS 29 -10.206 -1.851 -5.296 198 HD1 HIS 29 1HD HIS 29 -12.034 0.050 -6.342 199 HD2 HIS 29 2HD HIS 29 -8.803 1.366 -4.086 200 HE1 HIS 29 1HE HIS 29 -11.728 2.469 -6.955 201 HE2 HIS 29 2HE HIS 29 -9.718 3.223 -5.638 202 H ASN 30 H ASN 30 -9.984 -3.486 -4.230 203 HA ASN 30 HA ASN 30 -10.822 -5.101 -1.919 204 1HB ASN 30 2HB ASN 30 -10.991 -5.878 -4.458 205 2HB ASN 30 1HB ASN 30 -9.307 -6.312 -4.182 206 1HD2 ASN 30 1HD2 ASN 30 -11.944 -7.813 -4.521 207 2HD2 ASN 30 2HD2 ASN 30 -11.917 -8.970 -3.239 208 H GLY 31 H GLY 31 -7.952 -4.365 -3.916 209 1HA GLY 31 2HA GLY 31 -6.301 -3.920 -1.649 210 2HA GLY 31 1HA GLY 31 -6.031 -5.536 -2.285 211 H GLY 32 H GLY 32 -3.889 -5.014 -2.845 212 1HA GLY 32 2HA GLY 32 -3.601 -3.990 -5.492 213 2HA GLY 32 1HA GLY 32 -3.000 -2.846 -4.303 214 H THR 33 H THR 33 -0.897 -3.088 -5.210 215 HA THR 33 HA THR 33 0.521 -5.379 -4.089 216 HB THR 33 HB THR 33 0.182 -6.174 -6.297 217 HG1 THR 33 1HG THR 33 2.255 -6.575 -5.935 218 1HG2 THR 33 1HG2 THR 33 1.316 -4.465 -8.103 219 2HG2 THR 33 2HG2 THR 33 0.405 -3.377 -7.056 220 3HG2 THR 33 3HG2 THR 33 -0.414 -4.714 -7.863 221 H CYS 34 H CYS 34 2.909 -5.060 -4.164 222 HA CYS 34 HA CYS 34 3.538 -2.212 -3.786 223 1HB CYS 34 2HB CYS 34 3.765 -3.888 -1.855 224 2HB CYS 34 1HB CYS 34 5.157 -4.516 -2.724 225 H MET 35 H MET 35 4.972 -1.254 -5.083 226 HA MET 35 HA MET 35 6.828 -2.928 -6.628 227 1HB MET 35 2HB MET 35 4.743 -1.081 -7.634 228 2HB MET 35 1HB MET 35 6.306 -0.997 -8.435 229 1HG MET 35 2HG MET 35 5.023 -3.653 -8.018 230 2HG MET 35 1HG MET 35 4.444 -2.600 -9.307 231 1HE MET 35 1HE MET 35 7.596 -2.132 -11.520 232 2HE MET 35 2HE MET 35 7.491 -1.185 -10.035 233 3HE MET 35 3HE MET 35 6.046 -1.469 -11.005 234 H PHE 36 H PHE 36 8.691 -2.323 -5.635 235 HA PHE 36 HA PHE 36 10.399 -1.023 -4.874 236 1HB PHE 36 2HB PHE 36 10.744 -0.776 -7.247 237 2HB PHE 36 1HB PHE 36 9.542 0.501 -7.330 238 HD1 PHE 36 1HD PHE 36 12.130 0.151 -4.735 239 HD2 PHE 36 2HD PHE 36 10.871 2.235 -8.218 240 HE1 PHE 36 1HE PHE 36 13.901 1.821 -4.367 241 HE2 PHE 36 2HE PHE 36 12.637 3.911 -7.862 242 HZ PHE 36 HZ PHE 36 14.155 3.706 -5.933 243 H PHE 37 H PHE 37 8.685 -0.541 -3.092 244 HA PHE 37 HA PHE 37 7.982 0.920 -1.511 245 1HB PHE 37 2HB PHE 37 9.539 3.035 -3.000 246 2HB PHE 37 1HB PHE 37 9.097 3.030 -1.295 247 HD1 PHE 37 1HD PHE 37 9.762 0.099 -0.791 248 HD2 PHE 37 2HD PHE 37 11.893 3.227 -2.735 249 HE1 PHE 37 1HE PHE 37 11.885 -1.014 -0.241 250 HE2 PHE 37 2HE PHE 37 14.021 2.117 -2.191 251 HZ PHE 37 HZ PHE 37 14.017 -0.010 -0.943 252 H LYS 38 H LYS 38 6.659 0.717 -4.298 253 HA LYS 38 HA LYS 38 5.056 3.178 -4.093 254 1HB LYS 38 2HB LYS 38 5.310 1.288 -6.441 255 2HB LYS 38 1HB LYS 38 4.344 2.754 -6.403 256 1HG LYS 38 2HG LYS 38 6.586 3.926 -5.848 257 2HG LYS 38 1HG LYS 38 7.313 2.457 -6.500 258 1HD LYS 38 2HD LYS 38 7.157 3.549 -8.465 259 2HD LYS 38 1HD LYS 38 5.479 3.001 -8.414 260 1HE LYS 38 2HE LYS 38 5.143 5.219 -7.041 261 2HE LYS 38 1HE LYS 38 6.620 5.702 -7.876 262 1HZ LYS 38 1HZ LYS 38 5.231 4.766 -9.917 263 2HZ LYS 38 2HZ LYS 38 5.128 6.376 -9.409 264 3HZ LYS 38 3HZ LYS 38 3.944 5.263 -8.937 265 H CYS 39 H CYS 39 2.880 3.056 -3.789 266 HA CYS 39 HA CYS 39 1.818 0.376 -3.206 267 1HB CYS 39 2HB CYS 39 1.841 1.845 -1.272 268 2HB CYS 39 1HB CYS 39 0.973 3.088 -2.165 269 H LYS 40 H LYS 40 0.942 -0.280 -5.111 270 HA LYS 40 HA LYS 40 -1.003 1.508 -6.403 271 1HB LYS 40 2HB LYS 40 1.049 0.180 -7.569 272 2HB LYS 40 1HB LYS 40 -0.232 -1.009 -7.753 273 1HG LYS 40 2HG LYS 40 -1.554 1.127 -8.617 274 2HG LYS 40 1HG LYS 40 0.086 1.655 -9.001 275 1HD LYS 40 2HD LYS 40 0.449 -0.150 -10.452 276 2HD LYS 40 1HD LYS 40 -0.917 -1.059 -9.800 277 1HE LYS 40 2HE LYS 40 -2.443 0.078 -11.043 278 2HE LYS 40 1HE LYS 40 -1.512 1.574 -11.014 279 1HZ LYS 40 1HZ LYS 40 -1.126 1.017 -13.144 280 2HZ LYS 40 2HZ LYS 40 -1.419 -0.631 -12.899 281 3HZ LYS 40 3HZ LYS 40 0.079 0.033 -12.481 282 H CYS 41 H CYS 41 -2.964 0.429 -7.293 283 HA CYS 41 HA CYS 41 -4.012 -1.442 -5.316 284 1HB CYS 41 2HB CYS 41 -5.200 0.556 -7.185 285 2HB CYS 41 1HB CYS 41 -6.185 -0.788 -6.653 286 H ALA 42 H ALA 42 -6.018 -2.672 -6.577 287 HA ALA 42 HA ALA 42 -5.303 -3.764 -9.120 288 1HB ALA 42 1HB ALA 42 -4.817 -6.038 -8.418 289 2HB ALA 42 2HB ALA 42 -4.959 -5.565 -6.725 290 3HB ALA 42 3HB ALA 42 -3.651 -4.916 -7.715 Start of MODEL 3 1 1H ASP 1 1HT ASP 1 -11.343 12.517 -4.865 2 2H ASP 1 2HT ASP 1 -12.805 13.353 -4.530 3 3H ASP 1 3HT ASP 1 -11.438 13.567 -3.513 4 HA ASP 1 HA ASP 1 -11.876 14.507 -6.252 5 1HB ASP 1 2HB ASP 1 -11.856 15.605 -3.565 6 2HB ASP 1 1HB ASP 1 -10.702 16.441 -4.599 7 H ARG 2 H ARG 2 -9.446 13.727 -3.813 8 HA ARG 2 HA ARG 2 -7.450 13.108 -5.672 9 1HB ARG 2 2HB ARG 2 -7.402 15.504 -6.121 10 2HB ARG 2 1HB ARG 2 -7.165 15.838 -4.411 11 1HG ARG 2 2HG ARG 2 -4.970 15.356 -4.482 12 2HG ARG 2 1HG ARG 2 -5.186 14.039 -5.638 13 1HD ARG 2 2HD ARG 2 -5.635 15.828 -7.376 14 2HD ARG 2 1HD ARG 2 -5.054 16.994 -6.188 15 HE ARG 2 HE ARG 2 -3.474 15.155 -7.730 16 1HH1 ARG 2 1HH1 ARG 2 -3.605 17.065 -4.813 17 2HH1 ARG 2 2HH1 ARG 2 -1.884 17.147 -4.640 18 1HH2 ARG 2 1HH2 ARG 2 -1.210 15.260 -7.504 19 2HH2 ARG 2 2HH2 ARG 2 -0.524 16.122 -6.169 20 H ASP 3 H ASP 3 -6.704 11.470 -4.511 21 HA ASP 3 HA ASP 3 -5.641 12.040 -1.833 22 1HB ASP 3 2HB ASP 3 -7.931 10.578 -2.195 23 2HB ASP 3 1HB ASP 3 -6.703 9.318 -2.168 24 H SER 4 H SER 4 -5.837 9.158 -3.921 25 HA SER 4 HA SER 4 -4.241 7.735 -4.696 26 1HB SER 4 2HB SER 4 -3.038 10.435 -4.994 27 2HB SER 4 1HB SER 4 -1.949 9.057 -5.161 28 HG SER 4 HG SER 4 -2.709 8.955 -7.112 29 H CYS 5 H CYS 5 -3.809 6.329 -3.077 30 HA CYS 5 HA CYS 5 -2.267 7.048 -0.774 31 1HB CYS 5 2HB CYS 5 -4.092 5.262 -0.899 32 2HB CYS 5 1HB CYS 5 -2.889 4.239 -1.677 33 H VAL 6 H VAL 6 -1.533 5.899 -3.932 34 HA VAL 6 HA VAL 6 0.763 4.432 -3.638 35 HB VAL 6 HB VAL 6 0.457 6.578 -5.708 36 1HG1 VAL 6 1HG1 VAL 6 1.598 4.568 -7.010 37 2HG1 VAL 6 2HG1 VAL 6 2.170 4.185 -5.386 38 3HG1 VAL 6 3HG1 VAL 6 2.538 5.755 -6.103 39 1HG2 VAL 6 1HG2 VAL 6 -1.303 5.534 -6.573 40 2HG2 VAL 6 2HG2 VAL 6 -1.297 4.418 -5.208 41 3HG2 VAL 6 3HG2 VAL 6 -0.386 4.031 -6.668 42 H ASP 7 H ASP 7 0.603 7.977 -3.936 43 HA ASP 7 HA ASP 7 3.388 8.216 -3.172 44 1HB ASP 7 2HB ASP 7 1.617 9.764 -4.697 45 2HB ASP 7 1HB ASP 7 1.949 10.729 -3.262 46 H LYS 8 H LYS 8 0.241 8.566 -1.729 47 HA LYS 8 HA LYS 8 0.990 10.116 0.512 48 1HB LYS 8 2HB LYS 8 -1.369 9.529 -0.408 49 2HB LYS 8 1HB LYS 8 -1.225 8.091 0.593 50 1HG LYS 8 2HG LYS 8 -1.316 9.281 2.555 51 2HG LYS 8 1HG LYS 8 -0.717 10.762 1.810 52 1HD LYS 8 2HD LYS 8 -3.366 9.640 0.992 53 2HD LYS 8 1HD LYS 8 -3.226 10.577 2.481 54 1HE LYS 8 2HE LYS 8 -2.616 12.515 1.353 55 2HE LYS 8 1HE LYS 8 -2.111 11.633 -0.088 56 1HZ LYS 8 1HZ LYS 8 -4.165 12.740 -0.531 57 2HZ LYS 8 2HZ LYS 8 -4.897 12.072 0.840 58 3HZ LYS 8 3HZ LYS 8 -4.474 11.078 -0.462 59 H SER 9 H SER 9 0.147 6.647 0.463 60 HA SER 9 HA SER 9 1.646 6.239 2.910 61 1HB SER 9 2HB SER 9 -0.579 5.154 2.497 62 2HB SER 9 1HB SER 9 0.187 4.180 1.242 63 HG SER 9 HG SER 9 0.284 2.963 3.059 64 H ARG 10 H ARG 10 3.323 4.683 3.143 65 HA ARG 10 HA ARG 10 5.091 4.603 0.848 66 1HB ARG 10 2HB ARG 10 5.544 4.971 3.506 67 2HB ARG 10 1HB ARG 10 5.922 3.262 3.339 68 1HG ARG 10 2HG ARG 10 7.355 4.055 1.320 69 2HG ARG 10 1HG ARG 10 7.264 5.627 2.114 70 1HD ARG 10 2HD ARG 10 8.123 3.134 3.558 71 2HD ARG 10 1HD ARG 10 9.262 4.165 2.693 72 HE ARG 10 HE ARG 10 7.980 5.905 4.309 73 1HH1 ARG 10 1HH1 ARG 10 9.579 2.858 4.895 74 2HH1 ARG 10 2HH1 ARG 10 10.052 3.275 6.508 75 1HH2 ARG 10 1HH2 ARG 10 8.603 6.455 6.429 76 2HH2 ARG 10 2HH2 ARG 10 9.498 5.317 7.379 77 H CYS 11 H CYS 11 6.540 2.295 1.384 78 HA CYS 11 HA CYS 11 4.960 -0.034 1.601 79 1HB CYS 11 2HB CYS 11 4.348 1.057 -0.719 80 2HB CYS 11 1HB CYS 11 5.875 0.347 -1.225 81 H ALA 12 H ALA 12 6.242 -1.993 0.686 82 HA ALA 12 HA ALA 12 8.987 -1.672 1.585 83 1HB ALA 12 1HB ALA 12 8.422 -3.622 2.524 84 2HB ALA 12 2HB ALA 12 8.681 -4.324 0.926 85 3HB ALA 12 3HB ALA 12 7.057 -3.854 1.429 86 H LYS 13 H LYS 13 10.550 -3.282 0.302 87 HA LYS 13 HA LYS 13 11.283 -2.089 -2.041 88 1HB LYS 13 2HB LYS 13 12.652 -3.717 -0.762 89 2HB LYS 13 1HB LYS 13 11.662 -5.017 -1.408 90 1HG LYS 13 2HG LYS 13 12.491 -4.741 -3.567 91 2HG LYS 13 1HG LYS 13 13.111 -3.125 -3.219 92 1HD LYS 13 2HD LYS 13 14.618 -4.347 -1.500 93 2HD LYS 13 1HD LYS 13 14.224 -5.792 -2.432 94 1HE LYS 13 2HE LYS 13 15.513 -3.272 -3.473 95 2HE LYS 13 1HE LYS 13 16.301 -4.830 -3.226 96 1HZ LYS 13 1HZ LYS 13 14.944 -5.792 -4.933 97 2HZ LYS 13 2HZ LYS 13 15.681 -4.404 -5.557 98 3HZ LYS 13 3HZ LYS 13 14.051 -4.365 -5.107 99 H TYR 14 H TYR 14 9.144 -4.904 -1.709 100 HA TYR 14 HA TYR 14 7.479 -4.279 -3.812 101 1HB TYR 14 2HB TYR 14 8.335 -6.161 -5.422 102 2HB TYR 14 1HB TYR 14 9.023 -4.545 -5.509 103 HD1 TYR 14 1HD TYR 14 9.855 -6.931 -2.821 104 HD2 TYR 14 2HD TYR 14 11.084 -5.226 -6.520 105 HE1 TYR 14 1HE TYR 14 12.099 -7.883 -2.507 106 HE2 TYR 14 2HE TYR 14 13.333 -6.173 -6.216 107 HH TYR 14 HH TYR 14 14.338 -7.606 -3.237 108 H GLY 15 H GLY 15 6.134 -6.174 -4.551 109 1HA GLY 15 2HA GLY 15 5.433 -8.450 -4.161 110 2HA GLY 15 1HA GLY 15 6.193 -8.367 -2.579 111 H TYR 16 H TYR 16 4.594 -8.685 -1.170 112 HA TYR 16 HA TYR 16 2.094 -7.181 -1.528 113 1HB TYR 16 2HB TYR 16 2.069 -9.731 -1.336 114 2HB TYR 16 1HB TYR 16 2.506 -9.500 0.353 115 HD1 TYR 16 1HD TYR 16 0.933 -7.708 1.601 116 HD2 TYR 16 2HD TYR 16 -0.167 -10.001 -1.809 117 HE1 TYR 16 1HE TYR 16 -1.439 -7.413 2.177 118 HE2 TYR 16 2HE TYR 16 -2.542 -9.714 -1.244 119 HH TYR 16 HH TYR 16 -3.663 -8.875 1.620 120 H TYR 17 H TYR 17 1.379 -5.785 -0.006 121 HA TYR 17 HA TYR 17 2.887 -5.559 2.502 122 1HB TYR 17 2HB TYR 17 3.427 -3.843 0.527 123 2HB TYR 17 1HB TYR 17 2.010 -3.036 1.185 124 HD1 TYR 17 1HD TYR 17 2.875 -1.132 2.222 125 HD2 TYR 17 2HD TYR 17 4.672 -4.910 2.992 126 HE1 TYR 17 1HE TYR 17 4.271 -0.105 3.967 127 HE2 TYR 17 2HE TYR 17 6.072 -3.895 4.741 128 HH TYR 17 HH TYR 17 5.515 -0.741 5.942 129 H GLN 18 H GLN 18 1.415 -6.053 3.987 130 HA GLN 18 HA GLN 18 -1.302 -6.039 3.839 131 1HB GLN 18 2HB GLN 18 0.315 -6.805 5.735 132 2HB GLN 18 1HB GLN 18 0.006 -5.209 6.403 133 1HG GLN 18 2HG GLN 18 -2.001 -5.795 7.152 134 2HG GLN 18 1HG GLN 18 -2.434 -6.572 5.630 135 1HE2 GLN 18 1HE2 GLN 18 -3.131 -8.531 6.104 136 2HE2 GLN 18 2HE2 GLN 18 -2.336 -9.669 7.133 137 H GLU 19 H GLU 19 0.766 -3.297 4.631 138 HA GLU 19 HA GLU 19 -1.251 -1.529 5.471 139 1HB GLU 19 2HB GLU 19 1.553 -1.273 4.537 140 2HB GLU 19 1HB GLU 19 0.562 0.178 4.463 141 1HG GLU 19 2HG GLU 19 0.081 -0.002 6.834 142 2HG GLU 19 1HG GLU 19 1.013 -1.496 6.923 143 H CYS 20 H CYS 20 0.203 -2.059 2.275 144 HA CYS 20 HA CYS 20 -1.181 -0.060 0.901 145 1HB CYS 20 2HB CYS 20 0.733 -1.852 0.221 146 2HB CYS 20 1HB CYS 20 -0.662 -2.560 -0.586 147 H GLN 21 H GLN 21 -1.974 -3.527 1.191 148 HA GLN 21 HA GLN 21 -4.351 -3.482 -0.249 149 1HB GLN 21 2HB GLN 21 -4.915 -5.556 0.856 150 2HB GLN 21 1HB GLN 21 -3.193 -5.539 0.507 151 1HG GLN 21 2HG GLN 21 -2.615 -5.254 2.736 152 2HG GLN 21 1HG GLN 21 -4.225 -4.701 3.185 153 1HE2 GLN 21 1HE2 GLN 21 -5.892 -6.537 2.277 154 2HE2 GLN 21 2HE2 GLN 21 -5.562 -8.093 2.953 155 H ASP 22 H ASP 22 -3.712 -2.618 3.095 156 HA ASP 22 HA ASP 22 -6.409 -2.450 3.939 157 1HB ASP 22 2HB ASP 22 -4.450 -2.585 5.476 158 2HB ASP 22 1HB ASP 22 -4.027 -0.936 5.028 159 H CYS 23 H CYS 23 -4.204 -0.167 2.427 160 HA CYS 23 HA CYS 23 -5.814 2.133 2.772 161 1HB CYS 23 2HB CYS 23 -3.280 1.781 2.008 162 2HB CYS 23 1HB CYS 23 -4.026 1.944 0.427 163 H CYS 24 H CYS 24 -5.156 0.278 -0.197 164 HA CYS 24 HA CYS 24 -6.977 1.438 -1.872 165 1HB CYS 24 2HB CYS 24 -5.259 -0.423 -2.321 166 2HB CYS 24 1HB CYS 24 -6.536 -1.537 -1.856 167 H LYS 25 H LYS 25 -7.567 -1.330 0.287 168 HA LYS 25 HA LYS 25 -10.238 -1.800 -0.306 169 1HB LYS 25 2HB LYS 25 -8.386 -2.474 1.806 170 2HB LYS 25 1HB LYS 25 -9.981 -2.160 2.472 171 1HG LYS 25 2HG LYS 25 -10.866 -3.771 0.727 172 2HG LYS 25 1HG LYS 25 -9.185 -4.222 0.445 173 1HD LYS 25 2HD LYS 25 -10.794 -4.521 2.971 174 2HD LYS 25 1HD LYS 25 -10.037 -5.789 2.005 175 1HE LYS 25 2HE LYS 25 -8.562 -5.596 3.770 176 2HE LYS 25 1HE LYS 25 -7.830 -4.528 2.573 177 1HZ LYS 25 1HZ LYS 25 -8.326 -2.688 3.775 178 2HZ LYS 25 2HZ LYS 25 -8.249 -3.785 5.062 179 3HZ LYS 25 3HZ LYS 25 -9.749 -3.338 4.422 180 H ASN 26 H ASN 26 -8.854 0.352 2.158 181 HA ASN 26 HA ASN 26 -11.231 1.345 3.210 182 1HB ASN 26 2HB ASN 26 -8.532 1.750 3.638 183 2HB ASN 26 1HB ASN 26 -9.082 3.321 3.072 184 1HD2 ASN 26 1HD2 ASN 26 -8.645 1.436 5.723 185 2HD2 ASN 26 2HD2 ASN 26 -9.723 2.220 6.820 186 H ALA 27 H ALA 27 -9.612 2.052 0.230 187 HA ALA 27 HA ALA 27 -10.977 4.539 -0.250 188 1HB ALA 27 1HB ALA 27 -9.837 3.070 -2.541 189 2HB ALA 27 2HB ALA 27 -8.709 3.482 -1.249 190 3HB ALA 27 3HB ALA 27 -9.631 4.752 -2.053 191 H GLY 28 H GLY 28 -11.468 1.163 -0.984 192 1HA GLY 28 2HA GLY 28 -13.938 0.671 -1.205 193 2HA GLY 28 1HA GLY 28 -13.890 1.858 -2.497 194 H HIS 29 H HIS 29 -11.446 -0.582 -1.789 195 HA HIS 29 HA HIS 29 -12.228 -2.031 -4.220 196 1HB HIS 29 2HB HIS 29 -9.392 -1.239 -3.549 197 2HB HIS 29 1HB HIS 29 -9.917 -2.129 -4.973 198 HD1 HIS 29 1HD HIS 29 -11.995 -0.570 -6.252 199 HD2 HIS 29 2HD HIS 29 -8.880 1.315 -4.248 200 HE1 HIS 29 1HE HIS 29 -11.898 1.757 -7.198 201 HE2 HIS 29 2HE HIS 29 -9.942 2.845 -6.042 202 H ASN 30 H ASN 30 -9.699 -3.652 -3.940 203 HA ASN 30 HA ASN 30 -10.516 -5.230 -1.594 204 1HB ASN 30 2HB ASN 30 -10.635 -6.015 -4.239 205 2HB ASN 30 1HB ASN 30 -9.119 -6.721 -3.687 206 1HD2 ASN 30 1HD2 ASN 30 -9.809 -7.188 -1.020 207 2HD2 ASN 30 2HD2 ASN 30 -10.998 -8.440 -0.975 208 H GLY 31 H GLY 31 -7.801 -4.160 -3.604 209 1HA GLY 31 2HA GLY 31 -6.035 -3.873 -1.468 210 2HA GLY 31 1HA GLY 31 -5.780 -5.482 -2.126 211 H GLY 32 H GLY 32 -3.676 -4.950 -2.775 212 1HA GLY 32 2HA GLY 32 -3.493 -3.927 -5.424 213 2HA GLY 32 1HA GLY 32 -2.878 -2.760 -4.264 214 H THR 33 H THR 33 -0.862 -3.085 -5.490 215 HA THR 33 HA THR 33 0.640 -5.354 -4.378 216 HB THR 33 HB THR 33 0.181 -5.895 -6.696 217 HG1 THR 33 1HG THR 33 2.848 -4.958 -6.534 218 1HG2 THR 33 1HG2 THR 33 1.434 -3.246 -7.371 219 2HG2 THR 33 2HG2 THR 33 -0.243 -3.724 -7.643 220 3HG2 THR 33 3HG2 THR 33 1.057 -4.519 -8.531 221 H CYS 34 H CYS 34 3.004 -5.002 -4.402 222 HA CYS 34 HA CYS 34 3.620 -2.168 -3.901 223 1HB CYS 34 2HB CYS 34 3.789 -3.919 -2.020 224 2HB CYS 34 1HB CYS 34 5.221 -4.490 -2.862 225 H MET 35 H MET 35 5.002 -1.184 -5.218 226 HA MET 35 HA MET 35 6.919 -2.820 -6.736 227 1HB MET 35 2HB MET 35 4.906 -0.870 -7.726 228 2HB MET 35 1HB MET 35 6.478 -0.874 -8.512 229 1HG MET 35 2HG MET 35 5.217 -3.508 -8.136 230 2HG MET 35 1HG MET 35 4.421 -2.418 -9.269 231 1HE MET 35 1HE MET 35 6.227 -2.978 -12.398 232 2HE MET 35 2HE MET 35 5.048 -2.002 -11.521 233 3HE MET 35 3HE MET 35 4.876 -3.756 -11.572 234 H PHE 36 H PHE 36 8.749 -2.268 -5.643 235 HA PHE 36 HA PHE 36 10.454 -1.008 -4.806 236 1HB PHE 36 2HB PHE 36 10.857 -0.704 -7.167 237 2HB PHE 36 1HB PHE 36 9.682 0.597 -7.237 238 HD1 PHE 36 1HD PHE 36 12.467 -0.114 -4.898 239 HD2 PHE 36 2HD PHE 36 10.781 2.559 -7.735 240 HE1 PHE 36 1HE PHE 36 14.263 1.504 -4.425 241 HE2 PHE 36 2HE PHE 36 12.568 4.188 -7.274 242 HZ PHE 36 HZ PHE 36 14.314 3.661 -5.619 243 H PHE 37 H PHE 37 8.653 -0.563 -3.080 244 HA PHE 37 HA PHE 37 7.937 0.862 -1.470 245 1HB PHE 37 2HB PHE 37 9.511 3.020 -2.877 246 2HB PHE 37 1HB PHE 37 9.032 2.972 -1.183 247 HD1 PHE 37 1HD PHE 37 9.711 0.040 -0.723 248 HD2 PHE 37 2HD PHE 37 11.855 3.221 -2.563 249 HE1 PHE 37 1HE PHE 37 11.831 -1.066 -0.151 250 HE2 PHE 37 2HE PHE 37 13.982 2.117 -1.997 251 HZ PHE 37 HZ PHE 37 13.969 -0.034 -0.790 252 H LYS 38 H LYS 38 6.702 0.732 -4.317 253 HA LYS 38 HA LYS 38 5.123 3.204 -4.156 254 1HB LYS 38 2HB LYS 38 5.333 1.194 -6.406 255 2HB LYS 38 1HB LYS 38 4.350 2.650 -6.433 256 1HG LYS 38 2HG LYS 38 7.345 2.621 -6.140 257 2HG LYS 38 1HG LYS 38 6.480 2.878 -7.657 258 1HD LYS 38 2HD LYS 38 5.333 4.668 -5.840 259 2HD LYS 38 1HD LYS 38 7.069 4.747 -5.537 260 1HE LYS 38 2HE LYS 38 7.541 5.470 -7.688 261 2HE LYS 38 1HE LYS 38 6.027 4.844 -8.338 262 1HZ LYS 38 1HZ LYS 38 4.837 6.627 -7.501 263 2HZ LYS 38 2HZ LYS 38 6.273 7.359 -8.012 264 3HZ LYS 38 3HZ LYS 38 6.025 7.041 -6.369 265 H CYS 39 H CYS 39 2.930 3.156 -3.860 266 HA CYS 39 HA CYS 39 1.823 0.547 -3.094 267 1HB CYS 39 2HB CYS 39 1.883 2.984 -1.731 268 2HB CYS 39 1HB CYS 39 0.222 2.828 -2.290 269 H LYS 40 H LYS 40 1.086 -0.162 -5.090 270 HA LYS 40 HA LYS 40 -0.895 1.529 -6.450 271 1HB LYS 40 2HB LYS 40 1.158 0.283 -7.583 272 2HB LYS 40 1HB LYS 40 0.032 -1.067 -7.597 273 1HG LYS 40 2HG LYS 40 -0.745 -0.257 -9.509 274 2HG LYS 40 1HG LYS 40 -1.455 1.057 -8.570 275 1HD LYS 40 2HD LYS 40 0.651 2.334 -8.848 276 2HD LYS 40 1HD LYS 40 1.263 1.039 -9.879 277 1HE LYS 40 2HE LYS 40 -1.152 1.570 -11.026 278 2HE LYS 40 1HE LYS 40 -0.666 3.168 -10.464 279 1HZ LYS 40 1HZ LYS 40 1.507 2.743 -11.607 280 2HZ LYS 40 2HZ LYS 40 0.177 2.916 -12.638 281 3HZ LYS 40 3HZ LYS 40 0.801 1.377 -12.314 282 H CYS 41 H CYS 41 -2.857 0.425 -7.281 283 HA CYS 41 HA CYS 41 -3.916 -1.352 -5.229 284 1HB CYS 41 2HB CYS 41 -5.079 0.530 -7.215 285 2HB CYS 41 1HB CYS 41 -6.060 -0.818 -6.691 286 H ALA 42 H ALA 42 -5.877 -2.686 -6.428 287 HA ALA 42 HA ALA 42 -4.467 -4.394 -8.373 288 1HB ALA 42 1HB ALA 42 -4.854 -5.879 -6.711 289 2HB ALA 42 2HB ALA 42 -6.422 -6.005 -7.508 290 3HB ALA 42 3HB ALA 42 -6.237 -4.985 -6.082 Start of MODEL 4 1 1H ASP 1 1HT ASP 1 -11.129 11.874 -3.418 2 2H ASP 1 2HT ASP 1 -12.521 12.872 -3.322 3 3H ASP 1 3HT ASP 1 -10.981 13.571 -3.615 4 HA ASP 1 HA ASP 1 -12.627 11.915 -5.389 5 1HB ASP 1 2HB ASP 1 -11.398 14.676 -5.501 6 2HB ASP 1 1HB ASP 1 -12.146 13.894 -6.891 7 H ARG 2 H ARG 2 -9.380 13.214 -4.813 8 HA ARG 2 HA ARG 2 -8.315 11.138 -6.595 9 1HB ARG 2 2HB ARG 2 -7.745 14.087 -6.674 10 2HB ARG 2 1HB ARG 2 -6.543 12.929 -7.229 11 1HG ARG 2 2HG ARG 2 -8.058 12.083 -8.899 12 2HG ARG 2 1HG ARG 2 -9.353 13.115 -8.292 13 1HD ARG 2 2HD ARG 2 -8.086 13.892 -10.373 14 2HD ARG 2 1HD ARG 2 -8.331 15.062 -9.080 15 HE ARG 2 HE ARG 2 -5.814 13.847 -9.894 16 1HH1 ARG 2 1HH1 ARG 2 -7.516 15.846 -7.585 17 2HH1 ARG 2 2HH1 ARG 2 -6.072 16.584 -6.979 18 1HH2 ARG 2 1HH2 ARG 2 -3.923 14.820 -9.093 19 2HH2 ARG 2 2HH2 ARG 2 -4.036 16.003 -7.833 20 H ASP 3 H ASP 3 -8.400 10.699 -3.970 21 HA ASP 3 HA ASP 3 -6.308 11.677 -2.393 22 1HB ASP 3 2HB ASP 3 -8.233 10.394 -1.513 23 2HB ASP 3 1HB ASP 3 -7.594 8.939 -2.272 24 H SER 4 H SER 4 -6.429 8.405 -3.808 25 HA SER 4 HA SER 4 -4.804 7.040 -4.626 26 1HB SER 4 2HB SER 4 -4.431 9.382 -5.925 27 2HB SER 4 1HB SER 4 -2.867 9.226 -5.125 28 HG SER 4 HG SER 4 -3.502 8.108 -7.333 29 H CYS 5 H CYS 5 -4.054 5.865 -2.961 30 HA CYS 5 HA CYS 5 -2.454 6.973 -0.865 31 1HB CYS 5 2HB CYS 5 -4.048 4.854 -0.920 32 2HB CYS 5 1HB CYS 5 -2.553 4.031 -1.348 33 H VAL 6 H VAL 6 -1.756 5.843 -3.994 34 HA VAL 6 HA VAL 6 0.687 4.599 -3.791 35 HB VAL 6 HB VAL 6 0.041 6.636 -5.892 36 1HG1 VAL 6 1HG1 VAL 6 1.958 4.361 -5.678 37 2HG1 VAL 6 2HG1 VAL 6 2.225 6.003 -6.268 38 3HG1 VAL 6 3HG1 VAL 6 1.339 4.843 -7.258 39 1HG2 VAL 6 1HG2 VAL 6 -1.647 5.385 -6.609 40 2HG2 VAL 6 2HG2 VAL 6 -1.423 4.306 -5.233 41 3HG2 VAL 6 3HG2 VAL 6 -0.571 3.993 -6.745 42 H ASP 7 H ASP 7 -0.064 7.994 -3.432 43 HA ASP 7 HA ASP 7 2.786 8.522 -2.888 44 1HB ASP 7 2HB ASP 7 1.417 9.714 -4.849 45 2HB ASP 7 1HB ASP 7 0.943 10.772 -3.523 46 H LYS 8 H LYS 8 0.801 7.514 -1.016 47 HA LYS 8 HA LYS 8 0.879 9.726 0.921 48 1HB LYS 8 2HB LYS 8 -1.440 9.039 -0.128 49 2HB LYS 8 1HB LYS 8 -1.334 7.721 1.030 50 1HG LYS 8 2HG LYS 8 -2.432 9.210 2.323 51 2HG LYS 8 1HG LYS 8 -0.785 9.738 2.674 52 1HD LYS 8 2HD LYS 8 -1.852 11.734 2.174 53 2HD LYS 8 1HD LYS 8 -1.119 11.300 0.629 54 1HE LYS 8 2HE LYS 8 -3.181 11.659 -0.189 55 2HE LYS 8 1HE LYS 8 -3.516 10.045 0.438 56 1HZ LYS 8 1HZ LYS 8 -3.829 12.233 2.324 57 2HZ LYS 8 2HZ LYS 8 -4.783 10.855 2.094 58 3HZ LYS 8 3HZ LYS 8 -4.955 12.184 1.063 59 H SER 9 H SER 9 0.420 6.208 0.593 60 HA SER 9 HA SER 9 1.750 5.857 3.189 61 1HB SER 9 2HB SER 9 -0.555 4.855 2.765 62 2HB SER 9 1HB SER 9 0.240 3.739 1.653 63 HG SER 9 HG SER 9 -0.051 3.310 4.131 64 H ARG 10 H ARG 10 3.738 5.040 3.292 65 HA ARG 10 HA ARG 10 5.330 4.606 1.050 66 1HB ARG 10 2HB ARG 10 5.779 4.948 3.692 67 2HB ARG 10 1HB ARG 10 6.081 3.221 3.553 68 1HG ARG 10 2HG ARG 10 8.157 3.983 3.149 69 2HG ARG 10 1HG ARG 10 7.546 4.021 1.498 70 1HD ARG 10 2HD ARG 10 7.781 6.230 1.385 71 2HD ARG 10 1HD ARG 10 6.928 6.467 2.910 72 HE ARG 10 HE ARG 10 9.229 5.776 3.887 73 1HH1 ARG 10 1HH1 ARG 10 8.706 7.758 1.054 74 2HH1 ARG 10 2HH1 ARG 10 10.200 8.613 1.230 75 1HH2 ARG 10 1HH2 ARG 10 11.188 6.905 4.112 76 2HH2 ARG 10 2HH2 ARG 10 11.607 8.131 2.962 77 H CYS 11 H CYS 11 6.746 2.275 1.541 78 HA CYS 11 HA CYS 11 5.184 -0.053 1.744 79 1HB CYS 11 2HB CYS 11 4.499 1.068 -0.547 80 2HB CYS 11 1HB CYS 11 6.008 0.359 -1.103 81 H ALA 12 H ALA 12 6.452 -1.989 0.751 82 HA ALA 12 HA ALA 12 9.220 -1.654 1.571 83 1HB ALA 12 1HB ALA 12 8.974 -4.287 0.915 84 2HB ALA 12 2HB ALA 12 7.321 -3.879 1.380 85 3HB ALA 12 3HB ALA 12 8.648 -3.611 2.510 86 H LYS 13 H LYS 13 10.648 -3.408 0.164 87 HA LYS 13 HA LYS 13 11.308 -2.098 -2.180 88 1HB LYS 13 2HB LYS 13 12.530 -3.971 -0.785 89 2HB LYS 13 1HB LYS 13 11.794 -5.034 -1.972 90 1HG LYS 13 2HG LYS 13 13.207 -4.412 -3.590 91 2HG LYS 13 1HG LYS 13 13.137 -2.711 -3.130 92 1HD LYS 13 2HD LYS 13 15.058 -2.856 -2.012 93 2HD LYS 13 1HD LYS 13 14.499 -4.270 -1.117 94 1HE LYS 13 2HE LYS 13 14.983 -5.295 -3.615 95 2HE LYS 13 1HE LYS 13 16.260 -4.090 -3.442 96 1HZ LYS 13 1HZ LYS 13 16.444 -6.576 -2.517 97 2HZ LYS 13 2HZ LYS 13 15.825 -5.808 -1.142 98 3HZ LYS 13 3HZ LYS 13 17.271 -5.268 -1.834 99 H TYR 14 H TYR 14 9.208 -4.921 -1.746 100 HA TYR 14 HA TYR 14 7.432 -4.344 -3.753 101 1HB TYR 14 2HB TYR 14 8.285 -6.201 -5.423 102 2HB TYR 14 1HB TYR 14 8.843 -4.540 -5.558 103 HD1 TYR 14 1HD TYR 14 9.888 -7.300 -3.264 104 HD2 TYR 14 2HD TYR 14 11.010 -4.611 -6.363 105 HE1 TYR 14 1HE TYR 14 12.214 -8.077 -3.087 106 HE2 TYR 14 2HE TYR 14 13.340 -5.379 -6.194 107 HH TYR 14 HH TYR 14 14.449 -7.330 -3.608 108 H GLY 15 H GLY 15 6.003 -6.152 -4.316 109 1HA GLY 15 2HA GLY 15 5.445 -8.503 -3.982 110 2HA GLY 15 1HA GLY 15 6.291 -8.421 -2.446 111 H TYR 16 H TYR 16 4.796 -8.808 -0.952 112 HA TYR 16 HA TYR 16 2.172 -7.528 -1.181 113 1HB TYR 16 2HB TYR 16 2.584 -10.060 -0.698 114 2HB TYR 16 1HB TYR 16 2.897 -9.514 0.946 115 HD1 TYR 16 1HD TYR 16 1.039 -7.948 1.967 116 HD2 TYR 16 2HD TYR 16 0.419 -10.612 -1.292 117 HE1 TYR 16 1HE TYR 16 -1.376 -7.944 2.431 118 HE2 TYR 16 2HE TYR 16 -1.997 -10.615 -0.838 119 HH TYR 16 HH TYR 16 -3.381 -9.923 1.766 120 H TYR 17 H TYR 17 1.335 -6.194 0.379 121 HA TYR 17 HA TYR 17 2.817 -5.620 2.795 122 1HB TYR 17 2HB TYR 17 3.759 -4.179 0.853 123 2HB TYR 17 1HB TYR 17 2.252 -3.283 0.987 124 HD1 TYR 17 1HD TYR 17 2.881 -1.210 1.859 125 HD2 TYR 17 2HD TYR 17 4.350 -4.762 3.686 126 HE1 TYR 17 1HE TYR 17 3.842 0.132 3.684 127 HE2 TYR 17 2HE TYR 17 5.311 -3.431 5.515 128 HH TYR 17 HH TYR 17 4.481 -0.587 6.356 129 H GLN 18 H GLN 18 1.130 -6.029 4.098 130 HA GLN 18 HA GLN 18 -1.546 -5.705 3.658 131 1HB GLN 18 2HB GLN 18 -0.135 -6.612 5.727 132 2HB GLN 18 1HB GLN 18 -0.563 -5.040 6.386 133 1HG GLN 18 2HG GLN 18 -2.939 -5.549 5.973 134 2HG GLN 18 1HG GLN 18 -2.472 -7.152 5.409 135 1HE2 GLN 18 1HE2 GLN 18 -4.117 -6.216 7.711 136 2HE2 GLN 18 2HE2 GLN 18 -3.425 -6.986 9.094 137 H GLU 19 H GLU 19 0.773 -3.226 4.452 138 HA GLU 19 HA GLU 19 -1.026 -1.234 5.311 139 1HB GLU 19 2HB GLU 19 1.737 -1.450 4.944 140 2HB GLU 19 1HB GLU 19 1.244 -0.152 3.863 141 1HG GLU 19 2HG GLU 19 0.249 1.057 5.685 142 2HG GLU 19 1HG GLU 19 0.557 -0.282 6.790 143 H CYS 20 H CYS 20 0.357 -1.916 2.111 144 HA CYS 20 HA CYS 20 -0.985 0.176 0.769 145 1HB CYS 20 2HB CYS 20 1.046 -1.135 -0.032 146 2HB CYS 20 1HB CYS 20 -0.074 -2.411 -0.489 147 H GLN 21 H GLN 21 -1.643 -3.332 0.790 148 HA GLN 21 HA GLN 21 -3.992 -3.270 -0.680 149 1HB GLN 21 2HB GLN 21 -4.494 -5.445 0.235 150 2HB GLN 21 1HB GLN 21 -2.771 -5.328 -0.091 151 1HG GLN 21 2HG GLN 21 -2.325 -5.883 1.976 152 2HG GLN 21 1HG GLN 21 -3.213 -4.487 2.574 153 1HE2 GLN 21 1HE2 GLN 21 -4.858 -4.903 3.861 154 2HE2 GLN 21 2HE2 GLN 21 -5.732 -6.391 3.951 155 H ASP 22 H ASP 22 -3.458 -2.565 2.700 156 HA ASP 22 HA ASP 22 -6.174 -2.646 3.512 157 1HB ASP 22 2HB ASP 22 -4.313 -2.768 5.118 158 2HB ASP 22 1HB ASP 22 -3.853 -1.118 4.714 159 H CYS 23 H CYS 23 -4.037 -0.016 2.459 160 HA CYS 23 HA CYS 23 -5.805 2.109 2.821 161 1HB CYS 23 2HB CYS 23 -3.258 1.943 2.051 162 2HB CYS 23 1HB CYS 23 -4.004 2.155 0.479 163 H CYS 24 H CYS 24 -5.044 0.475 -0.249 164 HA CYS 24 HA CYS 24 -6.937 1.625 -1.862 165 1HB CYS 24 2HB CYS 24 -5.139 -0.047 -2.506 166 2HB CYS 24 1HB CYS 24 -6.248 -1.312 -1.988 167 H LYS 25 H LYS 25 -7.368 -1.418 -0.053 168 HA LYS 25 HA LYS 25 -10.028 -1.881 -0.672 169 1HB LYS 25 2HB LYS 25 -8.710 -3.571 0.399 170 2HB LYS 25 1HB LYS 25 -8.423 -2.545 1.794 171 1HG LYS 25 2HG LYS 25 -11.139 -2.692 1.789 172 2HG LYS 25 1HG LYS 25 -10.694 -4.278 1.158 173 1HD LYS 25 2HD LYS 25 -10.100 -4.966 3.186 174 2HD LYS 25 1HD LYS 25 -8.988 -3.610 3.361 175 1HE LYS 25 2HE LYS 25 -11.859 -3.009 3.700 176 2HE LYS 25 1HE LYS 25 -11.113 -3.995 4.956 177 1HZ LYS 25 1HZ LYS 25 -9.641 -1.624 4.132 178 2HZ LYS 25 2HZ LYS 25 -9.855 -2.285 5.675 179 3HZ LYS 25 3HZ LYS 25 -11.079 -1.348 4.980 180 H ASN 26 H ASN 26 -8.617 0.302 1.672 181 HA ASN 26 HA ASN 26 -11.064 0.842 3.058 182 1HB ASN 26 2HB ASN 26 -8.376 1.340 3.524 183 2HB ASN 26 1HB ASN 26 -9.046 2.938 3.231 184 1HD2 ASN 26 1HD2 ASN 26 -8.552 0.542 5.498 185 2HD2 ASN 26 2HD2 ASN 26 -9.621 1.117 6.726 186 H ALA 27 H ALA 27 -9.554 2.022 0.185 187 HA ALA 27 HA ALA 27 -10.965 4.525 0.113 188 1HB ALA 27 1HB ALA 27 -9.693 5.014 -1.686 189 2HB ALA 27 2HB ALA 27 -9.911 3.421 -2.408 190 3HB ALA 27 3HB ALA 27 -8.735 3.649 -1.115 191 H GLY 28 H GLY 28 -11.262 1.411 -1.554 192 1HA GLY 28 2HA GLY 28 -13.925 1.070 -1.583 193 2HA GLY 28 1HA GLY 28 -13.700 2.239 -2.875 194 H HIS 29 H HIS 29 -11.508 -0.391 -2.012 195 HA HIS 29 HA HIS 29 -12.314 -1.850 -4.415 196 1HB HIS 29 2HB HIS 29 -9.436 -1.138 -3.822 197 2HB HIS 29 1HB HIS 29 -10.031 -2.031 -5.217 198 HD1 HIS 29 1HD HIS 29 -12.018 -0.450 -6.541 199 HD2 HIS 29 2HD HIS 29 -8.909 1.416 -4.511 200 HE1 HIS 29 1HE HIS 29 -11.874 1.865 -7.513 201 HE2 HIS 29 2HE HIS 29 -9.925 2.942 -6.334 202 H ASN 30 H ASN 30 -9.891 -3.567 -4.157 203 HA ASN 30 HA ASN 30 -10.764 -5.082 -1.795 204 1HB ASN 30 2HB ASN 30 -9.331 -6.190 -4.211 205 2HB ASN 30 1HB ASN 30 -10.135 -7.094 -2.932 206 1HD2 ASN 30 1HD2 ASN 30 -12.518 -6.024 -2.658 207 2HD2 ASN 30 2HD2 ASN 30 -13.424 -6.077 -4.128 208 H GLY 31 H GLY 31 -7.932 -4.037 -3.643 209 1HA GLY 31 2HA GLY 31 -6.317 -3.608 -1.417 210 2HA GLY 31 1HA GLY 31 -6.003 -5.248 -1.962 211 H GLY 32 H GLY 32 -3.876 -4.759 -2.520 212 1HA GLY 32 2HA GLY 32 -3.545 -3.806 -5.195 213 2HA GLY 32 1HA GLY 32 -2.928 -2.657 -4.018 214 H THR 33 H THR 33 -0.878 -3.081 -5.149 215 HA THR 33 HA THR 33 0.517 -5.311 -3.862 216 HB THR 33 HB THR 33 0.122 -6.239 -5.999 217 HG1 THR 33 1HG THR 33 2.177 -6.417 -6.801 218 1HG2 THR 33 1HG2 THR 33 0.103 -3.545 -6.914 219 2HG2 THR 33 2HG2 THR 33 -0.397 -5.012 -7.755 220 3HG2 THR 33 3HG2 THR 33 1.278 -4.468 -7.852 221 H CYS 34 H CYS 34 2.878 -5.053 -3.886 222 HA CYS 34 HA CYS 34 3.589 -2.219 -3.668 223 1HB CYS 34 2HB CYS 34 3.926 -3.952 -1.770 224 2HB CYS 34 1HB CYS 34 5.306 -4.490 -2.718 225 H MET 35 H MET 35 4.957 -1.276 -5.039 226 HA MET 35 HA MET 35 6.686 -2.960 -6.711 227 1HB MET 35 2HB MET 35 4.610 -1.004 -7.568 228 2HB MET 35 1HB MET 35 6.100 -1.075 -8.498 229 1HG MET 35 2HG MET 35 5.737 -3.513 -8.789 230 2HG MET 35 1HG MET 35 4.178 -3.330 -7.988 231 1HE MET 35 1HE MET 35 2.078 -3.304 -9.480 232 2HE MET 35 2HE MET 35 3.178 -4.553 -10.068 233 3HE MET 35 3HE MET 35 2.337 -3.508 -11.213 234 H PHE 36 H PHE 36 8.555 -2.363 -5.648 235 HA PHE 36 HA PHE 36 10.302 -1.072 -4.967 236 1HB PHE 36 2HB PHE 36 10.636 -0.938 -7.352 237 2HB PHE 36 1HB PHE 36 9.469 0.365 -7.481 238 HD1 PHE 36 1HD PHE 36 12.674 -0.481 -5.835 239 HD2 PHE 36 2HD PHE 36 10.216 2.558 -7.498 240 HE1 PHE 36 1HE PHE 36 14.502 1.143 -5.543 241 HE2 PHE 36 2HE PHE 36 12.034 4.193 -7.213 242 HZ PHE 36 HZ PHE 36 14.182 3.486 -6.234 243 H PHE 37 H PHE 37 8.601 -0.488 -3.207 244 HA PHE 37 HA PHE 37 7.910 1.045 -1.690 245 1HB PHE 37 2HB PHE 37 9.510 3.099 -3.211 246 2HB PHE 37 1HB PHE 37 9.102 3.094 -1.498 247 HD1 PHE 37 1HD PHE 37 9.743 0.211 -0.917 248 HD2 PHE 37 2HD PHE 37 11.857 3.194 -3.093 249 HE1 PHE 37 1HE PHE 37 11.862 -0.933 -0.416 250 HE2 PHE 37 2HE PHE 37 13.982 2.054 -2.597 251 HZ PHE 37 HZ PHE 37 13.984 -0.016 -1.258 252 H LYS 38 H LYS 38 6.622 0.787 -4.493 253 HA LYS 38 HA LYS 38 5.062 3.284 -4.369 254 1HB LYS 38 2HB LYS 38 5.313 1.381 -6.705 255 2HB LYS 38 1HB LYS 38 4.446 2.908 -6.693 256 1HG LYS 38 2HG LYS 38 6.756 3.916 -6.064 257 2HG LYS 38 1HG LYS 38 7.387 2.408 -6.728 258 1HD LYS 38 2HD LYS 38 7.338 3.521 -8.683 259 2HD LYS 38 1HD LYS 38 5.618 3.125 -8.657 260 1HE LYS 38 2HE LYS 38 6.375 5.553 -7.177 261 2HE LYS 38 1HE LYS 38 6.613 5.633 -8.922 262 1HZ LYS 38 1HZ LYS 38 4.463 6.168 -8.982 263 2HZ LYS 38 2HZ LYS 38 4.172 5.629 -7.406 264 3HZ LYS 38 3HZ LYS 38 4.153 4.530 -8.690 265 H CYS 39 H CYS 39 3.084 3.113 -3.574 266 HA CYS 39 HA CYS 39 1.918 0.480 -3.187 267 1HB CYS 39 2HB CYS 39 1.922 2.026 -1.302 268 2HB CYS 39 1HB CYS 39 1.022 3.210 -2.243 269 H LYS 40 H LYS 40 1.028 -0.257 -5.036 270 HA LYS 40 HA LYS 40 -0.864 1.496 -6.453 271 1HB LYS 40 2HB LYS 40 1.162 0.203 -7.577 272 2HB LYS 40 1HB LYS 40 0.012 -1.127 -7.580 273 1HG LYS 40 2HG LYS 40 -1.393 -0.089 -9.074 274 2HG LYS 40 1HG LYS 40 -0.819 1.526 -8.656 275 1HD LYS 40 2HD LYS 40 1.387 0.886 -9.697 276 2HD LYS 40 1HD LYS 40 0.589 -0.567 -10.303 277 1HE LYS 40 2HE LYS 40 -0.299 2.260 -10.870 278 2HE LYS 40 1HE LYS 40 0.668 1.267 -11.963 279 1HZ LYS 40 1HZ LYS 40 -1.106 -0.215 -12.277 280 2HZ LYS 40 2HZ LYS 40 -1.803 1.323 -12.382 281 3HZ LYS 40 3HZ LYS 40 -1.986 0.406 -10.972 282 H CYS 41 H CYS 41 -2.842 0.416 -7.298 283 HA CYS 41 HA CYS 41 -3.978 -1.264 -5.218 284 1HB CYS 41 2HB CYS 41 -5.059 0.488 -7.372 285 2HB CYS 41 1HB CYS 41 -6.069 -0.802 -6.761 286 H ALA 42 H ALA 42 -5.898 -2.660 -6.406 287 HA ALA 42 HA ALA 42 -4.714 -4.202 -8.593 288 1HB ALA 42 1HB ALA 42 -3.964 -5.670 -7.041 289 2HB ALA 42 2HB ALA 42 -5.624 -6.258 -7.138 290 3HB ALA 42 3HB ALA 42 -5.149 -5.169 -5.834 Start of MODEL 5 1 1H ASP 1 1HT ASP 1 -3.801 10.750 -8.541 2 2H ASP 1 2HT ASP 1 -3.292 12.166 -9.368 3 3H ASP 1 3HT ASP 1 -4.141 12.295 -7.882 4 HA ASP 1 HA ASP 1 -1.400 11.401 -8.383 5 1HB ASP 1 2HB ASP 1 -2.456 13.823 -7.748 6 2HB ASP 1 1HB ASP 1 -2.175 13.166 -6.138 7 H ARG 2 H ARG 2 -3.884 11.581 -5.828 8 HA ARG 2 HA ARG 2 -2.572 9.282 -4.529 9 1HB ARG 2 2HB ARG 2 -4.280 11.373 -3.177 10 2HB ARG 2 1HB ARG 2 -3.341 10.105 -2.400 11 1HG ARG 2 2HG ARG 2 -1.333 11.180 -2.770 12 2HG ARG 2 1HG ARG 2 -1.971 12.131 -4.112 13 1HD ARG 2 2HD ARG 2 -1.613 13.532 -2.155 14 2HD ARG 2 1HD ARG 2 -3.329 13.429 -2.546 15 HE ARG 2 HE ARG 2 -3.009 11.473 -0.715 16 1HH1 ARG 2 1HH1 ARG 2 -2.130 14.849 -0.751 17 2HH1 ARG 2 2HH1 ARG 2 -2.284 15.037 0.963 18 1HH2 ARG 2 1HH2 ARG 2 -3.211 11.717 1.540 19 2HH2 ARG 2 2HH2 ARG 2 -2.897 13.259 2.265 20 H ASP 3 H ASP 3 -4.089 8.339 -6.336 21 HA ASP 3 HA ASP 3 -6.812 8.000 -5.302 22 1HB ASP 3 2HB ASP 3 -6.072 8.541 -7.815 23 2HB ASP 3 1HB ASP 3 -5.987 6.783 -7.889 24 H SER 4 H SER 4 -3.845 6.272 -5.933 25 HA SER 4 HA SER 4 -5.103 3.802 -4.933 26 1HB SER 4 2HB SER 4 -2.712 4.166 -6.750 27 2HB SER 4 1HB SER 4 -3.196 2.618 -6.058 28 HG SER 4 HG SER 4 -4.166 2.704 -8.021 29 H CYS 5 H CYS 5 -3.969 6.058 -3.373 30 HA CYS 5 HA CYS 5 -2.652 6.418 -1.551 31 1HB CYS 5 2HB CYS 5 -3.914 4.220 -0.997 32 2HB CYS 5 1HB CYS 5 -2.362 3.440 -1.272 33 H VAL 6 H VAL 6 -1.377 5.963 -4.230 34 HA VAL 6 HA VAL 6 1.061 4.605 -3.928 35 HB VAL 6 HB VAL 6 0.593 6.949 -5.735 36 1HG1 VAL 6 1HG1 VAL 6 2.788 6.512 -6.066 37 2HG1 VAL 6 2HG1 VAL 6 2.131 5.274 -7.137 38 3HG1 VAL 6 3HG1 VAL 6 2.649 4.845 -5.507 39 1HG2 VAL 6 1HG2 VAL 6 0.241 4.380 -6.993 40 2HG2 VAL 6 2HG2 VAL 6 -0.830 5.780 -6.983 41 3HG2 VAL 6 3HG2 VAL 6 -0.907 4.602 -5.674 42 H ASP 7 H ASP 7 0.336 8.085 -3.698 43 HA ASP 7 HA ASP 7 2.948 8.478 -2.427 44 1HB ASP 7 2HB ASP 7 1.940 10.998 -2.806 45 2HB ASP 7 1HB ASP 7 3.024 10.169 -3.912 46 H LYS 8 H LYS 8 0.507 7.391 -1.104 47 HA LYS 8 HA LYS 8 0.181 9.472 0.956 48 1HB LYS 8 2HB LYS 8 -1.794 8.191 -0.500 49 2HB LYS 8 1HB LYS 8 -1.780 7.312 1.020 50 1HG LYS 8 2HG LYS 8 -2.260 9.261 2.265 51 2HG LYS 8 1HG LYS 8 -1.939 10.307 0.880 52 1HD LYS 8 2HD LYS 8 -4.334 10.092 1.254 53 2HD LYS 8 1HD LYS 8 -3.878 9.349 -0.280 54 1HE LYS 8 2HE LYS 8 -4.038 7.163 0.634 55 2HE LYS 8 1HE LYS 8 -4.169 7.790 2.277 56 1HZ LYS 8 1HZ LYS 8 -6.324 8.632 1.819 57 2HZ LYS 8 2HZ LYS 8 -6.301 7.034 1.267 58 3HZ LYS 8 3HZ LYS 8 -6.184 8.311 0.163 59 H SER 9 H SER 9 0.418 5.969 0.425 60 HA SER 9 HA SER 9 1.451 5.703 3.172 61 1HB SER 9 2HB SER 9 -0.678 4.501 2.793 62 2HB SER 9 1HB SER 9 0.082 3.591 1.488 63 HG SER 9 HG SER 9 0.954 3.598 4.189 64 H ARG 10 H ARG 10 3.334 4.555 3.512 65 HA ARG 10 HA ARG 10 5.086 4.332 1.235 66 1HB ARG 10 2HB ARG 10 5.843 5.270 3.396 67 2HB ARG 10 1HB ARG 10 5.580 3.701 4.148 68 1HG ARG 10 2HG ARG 10 7.558 2.975 3.499 69 2HG ARG 10 1HG ARG 10 7.264 3.447 1.827 70 1HD ARG 10 2HD ARG 10 7.785 5.709 3.594 71 2HD ARG 10 1HD ARG 10 9.126 4.567 3.512 72 HE ARG 10 HE ARG 10 8.519 4.917 0.920 73 1HH1 ARG 10 1HH1 ARG 10 9.077 7.191 3.510 74 2HH1 ARG 10 2HH1 ARG 10 9.699 8.421 2.462 75 1HH2 ARG 10 1HH2 ARG 10 9.336 6.534 -0.457 76 2HH2 ARG 10 2HH2 ARG 10 9.847 8.048 0.209 77 H CYS 11 H CYS 11 6.235 2.437 0.645 78 HA CYS 11 HA CYS 11 5.118 -0.099 1.606 79 1HB CYS 11 2HB CYS 11 4.174 0.822 -0.673 80 2HB CYS 11 1HB CYS 11 5.703 0.234 -1.312 81 H ALA 12 H ALA 12 6.480 -1.982 0.671 82 HA ALA 12 HA ALA 12 9.263 -1.365 1.238 83 1HB ALA 12 1HB ALA 12 9.189 -4.054 0.781 84 2HB ALA 12 2HB ALA 12 7.554 -3.739 1.364 85 3HB ALA 12 3HB ALA 12 8.944 -3.287 2.350 86 H LYS 13 H LYS 13 10.767 -3.030 -0.146 87 HA LYS 13 HA LYS 13 11.200 -1.885 -2.585 88 1HB LYS 13 2HB LYS 13 12.579 -3.638 -1.233 89 2HB LYS 13 1HB LYS 13 11.745 -4.807 -2.244 90 1HG LYS 13 2HG LYS 13 12.790 -4.097 -4.168 91 2HG LYS 13 1HG LYS 13 13.131 -2.494 -3.514 92 1HD LYS 13 2HD LYS 13 15.062 -3.156 -2.564 93 2HD LYS 13 1HD LYS 13 14.398 -4.713 -2.066 94 1HE LYS 13 2HE LYS 13 16.197 -4.973 -3.709 95 2HE LYS 13 1HE LYS 13 14.657 -5.570 -4.323 96 1HZ LYS 13 1HZ LYS 13 14.437 -3.285 -5.379 97 2HZ LYS 13 2HZ LYS 13 15.562 -4.343 -6.068 98 3HZ LYS 13 3HZ LYS 13 16.088 -3.091 -5.060 99 H TYR 14 H TYR 14 9.244 -4.787 -1.966 100 HA TYR 14 HA TYR 14 7.342 -4.265 -3.907 101 1HB TYR 14 2HB TYR 14 8.072 -6.154 -5.543 102 2HB TYR 14 1HB TYR 14 8.771 -4.549 -5.716 103 HD1 TYR 14 1HD TYR 14 9.547 -7.488 -3.529 104 HD2 TYR 14 2HD TYR 14 10.968 -4.683 -6.394 105 HE1 TYR 14 1HE TYR 14 11.796 -8.464 -3.361 106 HE2 TYR 14 2HE TYR 14 13.222 -5.651 -6.234 107 HH TYR 14 HH TYR 14 13.858 -8.607 -4.850 108 H GLY 15 H GLY 15 5.923 -6.138 -4.362 109 1HA GLY 15 2HA GLY 15 5.441 -8.491 -3.834 110 2HA GLY 15 1HA GLY 15 6.216 -8.223 -2.282 111 H TYR 16 H TYR 16 4.648 -8.519 -0.825 112 HA TYR 16 HA TYR 16 2.118 -7.062 -1.213 113 1HB TYR 16 2HB TYR 16 2.072 -9.618 -1.141 114 2HB TYR 16 1HB TYR 16 2.476 -9.468 0.565 115 HD1 TYR 16 1HD TYR 16 0.898 -7.894 1.956 116 HD2 TYR 16 2HD TYR 16 -0.160 -9.669 -1.762 117 HE1 TYR 16 1HE TYR 16 -1.481 -7.604 2.503 118 HE2 TYR 16 2HE TYR 16 -2.543 -9.384 -1.227 119 HH TYR 16 HH TYR 16 -3.871 -9.167 1.204 120 H TYR 17 H TYR 17 1.541 -5.589 0.256 121 HA TYR 17 HA TYR 17 2.835 -5.610 2.886 122 1HB TYR 17 2HB TYR 17 3.986 -3.994 1.314 123 2HB TYR 17 1HB TYR 17 2.482 -3.085 1.263 124 HD1 TYR 17 1HD TYR 17 3.462 -1.070 2.159 125 HD2 TYR 17 2HD TYR 17 3.660 -4.718 4.345 126 HE1 TYR 17 1HE TYR 17 4.151 0.175 4.167 127 HE2 TYR 17 2HE TYR 17 4.344 -3.482 6.355 128 HH TYR 17 HH TYR 17 5.537 -0.494 6.361 129 H GLN 18 H GLN 18 1.197 -5.931 4.234 130 HA GLN 18 HA GLN 18 -1.474 -5.622 3.847 131 1HB GLN 18 2HB GLN 18 -0.049 -6.496 5.902 132 2HB GLN 18 1HB GLN 18 -0.428 -4.904 6.545 133 1HG GLN 18 2HG GLN 18 -2.842 -5.407 6.112 134 2HG GLN 18 1HG GLN 18 -2.357 -7.058 5.728 135 1HE2 GLN 18 1HE2 GLN 18 -3.099 -8.226 7.369 136 2HE2 GLN 18 2HE2 GLN 18 -2.771 -7.931 9.039 137 H GLU 19 H GLU 19 0.809 -3.098 4.658 138 HA GLU 19 HA GLU 19 -1.032 -1.123 5.452 139 1HB GLU 19 2HB GLU 19 1.659 -1.259 5.403 140 2HB GLU 19 1HB GLU 19 1.391 -0.258 3.982 141 1HG GLU 19 2HG GLU 19 0.871 1.528 5.202 142 2HG GLU 19 1HG GLU 19 -0.170 0.600 6.279 143 H CYS 20 H CYS 20 0.334 -1.937 2.288 144 HA CYS 20 HA CYS 20 -0.964 0.164 0.889 145 1HB CYS 20 2HB CYS 20 1.075 -1.148 0.127 146 2HB CYS 20 1HB CYS 20 -0.031 -2.447 -0.302 147 H GLN 21 H GLN 21 -1.615 -3.347 0.938 148 HA GLN 21 HA GLN 21 -3.952 -3.314 -0.542 149 1HB GLN 21 2HB GLN 21 -4.476 -5.463 0.447 150 2HB GLN 21 1HB GLN 21 -2.757 -5.366 0.100 151 1HG GLN 21 2HG GLN 21 -2.253 -5.791 2.189 152 2HG GLN 21 1HG GLN 21 -3.246 -4.458 2.762 153 1HE2 GLN 21 1HE2 GLN 21 -5.746 -5.179 2.209 154 2HE2 GLN 21 2HE2 GLN 21 -6.172 -6.647 3.014 155 H ASP 22 H ASP 22 -3.448 -2.523 2.825 156 HA ASP 22 HA ASP 22 -6.183 -2.551 3.596 157 1HB ASP 22 2HB ASP 22 -4.310 -2.680 5.215 158 2HB ASP 22 1HB ASP 22 -3.880 -1.018 4.824 159 H CYS 23 H CYS 23 -3.963 0.015 2.565 160 HA CYS 23 HA CYS 23 -5.658 2.198 2.850 161 1HB CYS 23 2HB CYS 23 -3.115 1.889 2.080 162 2HB CYS 23 1HB CYS 23 -3.858 2.132 0.513 163 H CYS 24 H CYS 24 -5.006 0.308 -0.081 164 HA CYS 24 HA CYS 24 -6.804 1.536 -1.785 165 1HB CYS 24 2HB CYS 24 -5.047 -0.204 -2.350 166 2HB CYS 24 1HB CYS 24 -6.208 -1.420 -1.829 167 H LYS 25 H LYS 25 -7.403 -1.553 -0.076 168 HA LYS 25 HA LYS 25 -10.054 -1.859 -0.742 169 1HB LYS 25 2HB LYS 25 -10.264 -3.349 1.123 170 2HB LYS 25 1HB LYS 25 -8.647 -3.530 0.460 171 1HG LYS 25 2HG LYS 25 -7.690 -2.942 2.378 172 2HG LYS 25 1HG LYS 25 -8.749 -1.549 2.577 173 1HD LYS 25 2HD LYS 25 -10.539 -3.186 3.309 174 2HD LYS 25 1HD LYS 25 -9.262 -4.401 3.383 175 1HE LYS 25 2HE LYS 25 -9.412 -3.590 5.570 176 2HE LYS 25 1HE LYS 25 -8.023 -2.745 4.886 177 1HZ LYS 25 1HZ LYS 25 -9.156 -0.769 4.791 178 2HZ LYS 25 2HZ LYS 25 -9.817 -1.438 6.197 179 3HZ LYS 25 3HZ LYS 25 -10.682 -1.500 4.745 180 H ASN 26 H ASN 26 -8.662 0.285 1.636 181 HA ASN 26 HA ASN 26 -11.186 0.914 2.874 182 1HB ASN 26 2HB ASN 26 -8.518 1.230 3.579 183 2HB ASN 26 1HB ASN 26 -9.071 2.873 3.283 184 1HD2 ASN 26 1HD2 ASN 26 -8.287 1.819 5.785 185 2HD2 ASN 26 2HD2 ASN 26 -9.662 1.861 6.830 186 H ALA 27 H ALA 27 -9.364 2.024 0.168 187 HA ALA 27 HA ALA 27 -10.565 4.626 0.009 188 1HB ALA 27 1HB ALA 27 -9.469 4.787 -2.154 189 2HB ALA 27 2HB ALA 27 -9.091 3.065 -2.109 190 3HB ALA 27 3HB ALA 27 -8.351 4.161 -0.942 191 H GLY 28 H GLY 28 -11.236 1.446 -1.277 192 1HA GLY 28 2HA GLY 28 -13.796 1.320 -1.618 193 2HA GLY 28 1HA GLY 28 -13.459 2.522 -2.852 194 H HIS 29 H HIS 29 -11.432 -0.252 -2.053 195 HA HIS 29 HA HIS 29 -12.268 -1.583 -4.519 196 1HB HIS 29 2HB HIS 29 -9.355 -1.134 -3.868 197 2HB HIS 29 1HB HIS 29 -10.029 -1.820 -5.341 198 HD1 HIS 29 1HD HIS 29 -11.730 0.027 -6.611 199 HD2 HIS 29 2HD HIS 29 -8.676 1.459 -4.186 200 HE1 HIS 29 1HE HIS 29 -11.370 2.412 -7.322 201 HE2 HIS 29 2HE HIS 29 -9.459 3.232 -5.899 202 H ASN 30 H ASN 30 -9.946 -3.432 -4.284 203 HA ASN 30 HA ASN 30 -10.938 -4.981 -1.991 204 1HB ASN 30 2HB ASN 30 -10.579 -5.671 -4.725 205 2HB ASN 30 1HB ASN 30 -9.412 -6.601 -3.789 206 1HD2 ASN 30 1HD2 ASN 30 -10.549 -7.323 -1.581 207 2HD2 ASN 30 2HD2 ASN 30 -12.021 -8.192 -1.835 208 H GLY 31 H GLY 31 -7.969 -4.299 -3.843 209 1HA GLY 31 2HA GLY 31 -6.415 -3.986 -1.479 210 2HA GLY 31 1HA GLY 31 -6.128 -5.558 -2.211 211 H GLY 32 H GLY 32 -3.933 -4.871 -2.526 212 1HA GLY 32 2HA GLY 32 -3.551 -3.702 -5.127 213 2HA GLY 32 1HA GLY 32 -2.968 -2.681 -3.823 214 H THR 33 H THR 33 -0.911 -3.021 -5.028 215 HA THR 33 HA THR 33 0.476 -5.345 -3.902 216 HB THR 33 HB THR 33 -0.012 -5.982 -6.183 217 HG1 THR 33 1HG THR 33 2.068 -6.501 -5.417 218 1HG2 THR 33 1HG2 THR 33 1.180 -3.331 -6.923 219 2HG2 THR 33 2HG2 THR 33 -0.410 -3.974 -7.337 220 3HG2 THR 33 3HG2 THR 33 1.039 -4.671 -8.061 221 H CYS 34 H CYS 34 2.933 -5.075 -4.300 222 HA CYS 34 HA CYS 34 3.632 -2.276 -3.700 223 1HB CYS 34 2HB CYS 34 3.929 -4.181 -1.942 224 2HB CYS 34 1HB CYS 34 5.338 -4.608 -2.904 225 H MET 35 H MET 35 4.948 -1.260 -5.073 226 HA MET 35 HA MET 35 6.738 -2.858 -6.765 227 1HB MET 35 2HB MET 35 4.561 -1.041 -7.612 228 2HB MET 35 1HB MET 35 6.076 -0.898 -8.494 229 1HG MET 35 2HG MET 35 5.185 -2.505 -9.773 230 2HG MET 35 1HG MET 35 5.778 -3.572 -8.501 231 1HE MET 35 1HE MET 35 3.949 -5.219 -7.075 232 2HE MET 35 2HE MET 35 4.499 -5.424 -8.737 233 3HE MET 35 3HE MET 35 2.792 -5.628 -8.341 234 H PHE 36 H PHE 36 8.652 -2.246 -5.909 235 HA PHE 36 HA PHE 36 10.385 -0.938 -5.210 236 1HB PHE 36 2HB PHE 36 10.566 -0.675 -7.604 237 2HB PHE 36 1HB PHE 36 9.381 0.619 -7.588 238 HD1 PHE 36 1HD PHE 36 12.695 -0.284 -6.214 239 HD2 PHE 36 2HD PHE 36 10.095 2.821 -7.494 240 HE1 PHE 36 1HE PHE 36 14.522 1.345 -5.942 241 HE2 PHE 36 2HE PHE 36 11.911 4.461 -7.228 242 HZ PHE 36 HZ PHE 36 14.130 3.724 -6.451 243 H PHE 37 H PHE 37 8.835 -0.466 -3.299 244 HA PHE 37 HA PHE 37 8.206 0.986 -1.678 245 1HB PHE 37 2HB PHE 37 9.658 3.140 -3.210 246 2HB PHE 37 1HB PHE 37 9.380 3.042 -1.474 247 HD1 PHE 37 1HD PHE 37 10.115 0.114 -1.147 248 HD2 PHE 37 2HD PHE 37 12.012 3.321 -3.203 249 HE1 PHE 37 1HE PHE 37 12.291 -0.998 -0.863 250 HE2 PHE 37 2HE PHE 37 14.193 2.213 -2.924 251 HZ PHE 37 HZ PHE 37 14.331 0.047 -1.754 252 H LYS 38 H LYS 38 6.693 0.786 -4.336 253 HA LYS 38 HA LYS 38 5.125 3.263 -4.019 254 1HB LYS 38 2HB LYS 38 5.204 1.472 -6.452 255 2HB LYS 38 1HB LYS 38 4.381 3.017 -6.307 256 1HG LYS 38 2HG LYS 38 6.408 4.213 -6.266 257 2HG LYS 38 1HG LYS 38 7.353 2.748 -6.002 258 1HD LYS 38 2HD LYS 38 7.701 3.105 -8.250 259 2HD LYS 38 1HD LYS 38 6.311 2.019 -8.287 260 1HE LYS 38 2HE LYS 38 5.666 4.883 -8.109 261 2HE LYS 38 1HE LYS 38 6.447 4.382 -9.608 262 1HZ LYS 38 1HZ LYS 38 4.617 2.472 -9.345 263 2HZ LYS 38 2HZ LYS 38 4.341 3.910 -10.191 264 3HZ LYS 38 3HZ LYS 38 3.800 3.752 -8.598 265 H CYS 39 H CYS 39 2.958 3.124 -3.665 266 HA CYS 39 HA CYS 39 1.932 0.438 -3.078 267 1HB CYS 39 2HB CYS 39 1.893 1.983 -1.195 268 2HB CYS 39 1HB CYS 39 0.986 3.155 -2.144 269 H LYS 40 H LYS 40 1.071 -0.316 -4.942 270 HA LYS 40 HA LYS 40 -0.807 1.409 -6.401 271 1HB LYS 40 2HB LYS 40 1.178 0.137 -7.517 272 2HB LYS 40 1HB LYS 40 0.130 -1.268 -7.382 273 1HG LYS 40 2HG LYS 40 -1.429 -0.410 -8.867 274 2HG LYS 40 1HG LYS 40 -0.862 1.248 -8.656 275 1HD LYS 40 2HD LYS 40 1.123 -0.657 -9.715 276 2HD LYS 40 1HD LYS 40 -0.241 -0.305 -10.778 277 1HE LYS 40 2HE LYS 40 0.235 2.146 -10.343 278 2HE LYS 40 1HE LYS 40 1.748 1.623 -9.603 279 1HZ LYS 40 1HZ LYS 40 0.977 0.865 -12.361 280 2HZ LYS 40 2HZ LYS 40 2.501 0.748 -11.638 281 3HZ LYS 40 3HZ LYS 40 1.859 2.268 -12.015 282 H CYS 41 H CYS 41 -2.753 0.241 -7.322 283 HA CYS 41 HA CYS 41 -3.931 -1.388 -5.201 284 1HB CYS 41 2HB CYS 41 -4.990 0.498 -7.246 285 2HB CYS 41 1HB CYS 41 -6.034 -0.793 -6.697 286 H ALA 42 H ALA 42 -5.934 -2.656 -6.429 287 HA ALA 42 HA ALA 42 -5.110 -4.014 -8.820 288 1HB ALA 42 1HB ALA 42 -3.735 -5.408 -7.653 289 2HB ALA 42 2HB ALA 42 -5.253 -6.283 -7.459 290 3HB ALA 42 3HB ALA 42 -4.657 -5.250 -6.158 Start of MODEL 6 1 1H ASP 1 1HT ASP 1 -12.058 14.954 -0.871 2 2H ASP 1 2HT ASP 1 -10.641 13.988 -0.933 3 3H ASP 1 3HT ASP 1 -11.481 14.377 -2.378 4 HA ASP 1 HA ASP 1 -10.918 16.624 -2.208 5 1HB ASP 1 2HB ASP 1 -10.019 15.765 0.526 6 2HB ASP 1 1HB ASP 1 -9.317 17.195 -0.224 7 H ARG 2 H ARG 2 -8.668 14.234 -0.805 8 HA ARG 2 HA ARG 2 -7.143 13.883 -3.118 9 1HB ARG 2 2HB ARG 2 -6.479 16.211 -2.822 10 2HB ARG 2 1HB ARG 2 -5.974 15.877 -1.172 11 1HG ARG 2 2HG ARG 2 -3.938 15.527 -1.973 12 2HG ARG 2 1HG ARG 2 -4.562 14.045 -2.702 13 1HD ARG 2 2HD ARG 2 -5.346 15.782 -4.566 14 2HD ARG 2 1HD ARG 2 -3.961 16.672 -3.937 15 HE ARG 2 HE ARG 2 -3.401 13.916 -4.546 16 1HH1 ARG 2 1HH1 ARG 2 -3.544 17.165 -5.816 17 2HH1 ARG 2 2HH1 ARG 2 -2.431 16.843 -7.103 18 1HH2 ARG 2 1HH2 ARG 2 -1.939 13.492 -6.239 19 2HH2 ARG 2 2HH2 ARG 2 -1.521 14.759 -7.344 20 H ASP 3 H ASP 3 -6.733 11.823 -2.689 21 HA ASP 3 HA ASP 3 -5.451 11.166 -0.120 22 1HB ASP 3 2HB ASP 3 -7.834 10.092 -1.285 23 2HB ASP 3 1HB ASP 3 -6.615 8.823 -1.230 24 H SER 4 H SER 4 -5.959 9.233 -3.051 25 HA SER 4 HA SER 4 -4.510 8.003 -4.310 26 1HB SER 4 2HB SER 4 -2.992 10.590 -3.973 27 2HB SER 4 1HB SER 4 -2.421 9.286 -5.015 28 HG SER 4 HG SER 4 -4.612 9.452 -5.991 29 H CYS 5 H CYS 5 -4.064 6.306 -2.915 30 HA CYS 5 HA CYS 5 -2.252 6.370 -0.780 31 1HB CYS 5 2HB CYS 5 -3.196 4.086 -2.516 32 2HB CYS 5 1HB CYS 5 -2.184 3.862 -1.093 33 H VAL 6 H VAL 6 -1.762 6.008 -4.211 34 HA VAL 6 HA VAL 6 0.710 4.819 -4.372 35 HB VAL 6 HB VAL 6 -0.081 7.192 -6.025 36 1HG1 VAL 6 1HG1 VAL 6 1.554 6.625 -7.463 37 2HG1 VAL 6 2HG1 VAL 6 1.309 4.896 -7.218 38 3HG1 VAL 6 3HG1 VAL 6 2.247 5.828 -6.051 39 1HG2 VAL 6 1HG2 VAL 6 -1.200 4.471 -5.915 40 2HG2 VAL 6 2HG2 VAL 6 -0.838 5.090 -7.527 41 3HG2 VAL 6 3HG2 VAL 6 -1.932 5.978 -6.465 42 H ASP 7 H ASP 7 -0.056 8.127 -3.467 43 HA ASP 7 HA ASP 7 2.770 8.503 -2.733 44 1HB ASP 7 2HB ASP 7 1.436 9.921 -4.716 45 2HB ASP 7 1HB ASP 7 1.374 10.995 -3.322 46 H LYS 8 H LYS 8 0.727 7.512 -1.047 47 HA LYS 8 HA LYS 8 0.508 9.735 0.874 48 1HB LYS 8 2HB LYS 8 -1.677 8.979 -0.221 49 2HB LYS 8 1HB LYS 8 -1.489 7.486 0.686 50 1HG LYS 8 2HG LYS 8 -1.210 9.200 2.696 51 2HG LYS 8 1HG LYS 8 -2.187 10.204 1.623 52 1HD LYS 8 2HD LYS 8 -3.756 9.073 2.941 53 2HD LYS 8 1HD LYS 8 -3.726 8.163 1.429 54 1HE LYS 8 2HE LYS 8 -3.696 6.567 3.180 55 2HE LYS 8 1HE LYS 8 -2.062 6.621 2.520 56 1HZ LYS 8 1HZ LYS 8 -1.230 7.508 4.406 57 2HZ LYS 8 2HZ LYS 8 -2.567 6.746 5.108 58 3HZ LYS 8 3HZ LYS 8 -2.626 8.399 4.757 59 H SER 9 H SER 9 0.476 6.188 0.563 60 HA SER 9 HA SER 9 1.717 6.016 3.225 61 1HB SER 9 2HB SER 9 -0.510 4.798 2.639 62 2HB SER 9 1HB SER 9 0.532 3.661 1.783 63 HG SER 9 HG SER 9 1.729 3.577 3.862 64 H ARG 10 H ARG 10 3.482 4.577 3.545 65 HA ARG 10 HA ARG 10 5.218 4.405 1.227 66 1HB ARG 10 2HB ARG 10 6.063 5.280 3.380 67 2HB ARG 10 1HB ARG 10 5.752 3.714 4.120 68 1HG ARG 10 2HG ARG 10 7.570 2.764 3.200 69 2HG ARG 10 1HG ARG 10 7.442 3.693 1.707 70 1HD ARG 10 2HD ARG 10 9.441 4.191 3.191 71 2HD ARG 10 1HD ARG 10 8.483 5.572 2.658 72 HE ARG 10 HE ARG 10 7.549 4.652 5.159 73 1HH1 ARG 10 1HH1 ARG 10 10.226 6.364 3.714 74 2HH1 ARG 10 2HH1 ARG 10 10.586 7.265 5.149 75 1HH2 ARG 10 1HH2 ARG 10 8.023 5.836 7.046 76 2HH2 ARG 10 2HH2 ARG 10 9.336 6.965 7.041 77 H CYS 11 H CYS 11 6.377 2.450 0.695 78 HA CYS 11 HA CYS 11 5.098 -0.032 1.585 79 1HB CYS 11 2HB CYS 11 4.286 0.955 -0.726 80 2HB CYS 11 1HB CYS 11 5.790 0.256 -1.307 81 H ALA 12 H ALA 12 6.374 -1.977 0.705 82 HA ALA 12 HA ALA 12 9.174 -1.512 1.336 83 1HB ALA 12 1HB ALA 12 8.834 -3.434 2.413 84 2HB ALA 12 2HB ALA 12 8.848 -4.224 0.837 85 3HB ALA 12 3HB ALA 12 7.318 -3.725 1.560 86 H LYS 13 H LYS 13 10.633 -3.236 0.008 87 HA LYS 13 HA LYS 13 11.151 -2.151 -2.448 88 1HB LYS 13 2HB LYS 13 12.487 -3.884 -1.064 89 2HB LYS 13 1HB LYS 13 11.595 -5.082 -1.987 90 1HG LYS 13 2HG LYS 13 12.538 -4.356 -4.027 91 2HG LYS 13 1HG LYS 13 13.189 -2.894 -3.285 92 1HD LYS 13 2HD LYS 13 14.772 -4.168 -2.014 93 2HD LYS 13 1HD LYS 13 14.030 -5.687 -2.521 94 1HE LYS 13 2HE LYS 13 14.985 -5.621 -4.588 95 2HE LYS 13 1HE LYS 13 14.979 -3.859 -4.653 96 1HZ LYS 13 1HZ LYS 13 16.749 -5.196 -2.733 97 2HZ LYS 13 2HZ LYS 13 16.950 -3.719 -3.530 98 3HZ LYS 13 3HZ LYS 13 17.196 -5.170 -4.365 99 H TYR 14 H TYR 14 9.024 -4.900 -1.762 100 HA TYR 14 HA TYR 14 7.176 -4.408 -3.726 101 1HB TYR 14 2HB TYR 14 7.918 -6.362 -5.324 102 2HB TYR 14 1HB TYR 14 8.531 -4.731 -5.563 103 HD1 TYR 14 1HD TYR 14 9.592 -7.284 -3.064 104 HD2 TYR 14 2HD TYR 14 10.629 -5.049 -6.531 105 HE1 TYR 14 1HE TYR 14 11.892 -8.138 -2.919 106 HE2 TYR 14 2HE TYR 14 12.933 -5.896 -6.395 107 HH TYR 14 HH TYR 14 14.110 -7.589 -3.649 108 H GLY 15 H GLY 15 5.774 -6.321 -4.222 109 1HA GLY 15 2HA GLY 15 5.183 -8.608 -3.691 110 2HA GLY 15 1HA GLY 15 6.075 -8.437 -2.189 111 H TYR 16 H TYR 16 4.624 -8.727 -0.631 112 HA TYR 16 HA TYR 16 2.024 -7.378 -0.836 113 1HB TYR 16 2HB TYR 16 2.213 -9.894 -0.417 114 2HB TYR 16 1HB TYR 16 2.793 -9.473 1.191 115 HD1 TYR 16 1HD TYR 16 1.215 -7.691 2.438 116 HD2 TYR 16 2HD TYR 16 -0.029 -10.357 -0.636 117 HE1 TYR 16 1HE TYR 16 -1.105 -7.516 3.233 118 HE2 TYR 16 2HE TYR 16 -2.352 -10.189 0.151 119 HH TYR 16 HH TYR 16 -3.361 -9.479 2.771 120 H TYR 17 H TYR 17 1.343 -5.911 0.647 121 HA TYR 17 HA TYR 17 2.930 -5.420 3.040 122 1HB TYR 17 2HB TYR 17 3.671 -3.977 0.953 123 2HB TYR 17 1HB TYR 17 2.253 -3.027 1.378 124 HD1 TYR 17 1HD TYR 17 3.114 -1.039 2.240 125 HD2 TYR 17 2HD TYR 17 4.689 -4.745 3.614 126 HE1 TYR 17 1HE TYR 17 4.425 0.157 3.944 127 HE2 TYR 17 2HE TYR 17 6.001 -3.561 5.321 128 HH TYR 17 HH TYR 17 6.372 -0.151 5.320 129 H GLN 18 H GLN 18 1.444 -5.574 4.575 130 HA GLN 18 HA GLN 18 -1.273 -5.430 4.379 131 1HB GLN 18 2HB GLN 18 0.356 -5.978 6.392 132 2HB GLN 18 1HB GLN 18 -0.031 -4.326 6.856 133 1HG GLN 18 2HG GLN 18 -1.952 -4.984 7.721 134 2HG GLN 18 1HG GLN 18 -2.444 -5.676 6.176 135 1HE2 GLN 18 1HE2 GLN 18 -0.425 -6.369 9.002 136 2HE2 GLN 18 2HE2 GLN 18 -0.745 -8.067 9.033 137 H GLU 19 H GLU 19 0.958 -2.743 4.683 138 HA GLU 19 HA GLU 19 -0.911 -0.751 5.363 139 1HB GLU 19 2HB GLU 19 1.852 -0.826 4.318 140 2HB GLU 19 1HB GLU 19 0.953 0.645 3.973 141 1HG GLU 19 2HG GLU 19 0.688 1.153 6.238 142 2HG GLU 19 1HG GLU 19 1.112 -0.482 6.744 143 H CYS 20 H CYS 20 0.610 -1.284 2.177 144 HA CYS 20 HA CYS 20 -1.023 0.387 0.701 145 1HB CYS 20 2HB CYS 20 1.087 -0.927 -0.007 146 2HB CYS 20 1HB CYS 20 -0.029 -2.227 -0.408 147 H GLN 21 H GLN 21 -1.439 -3.080 1.315 148 HA GLN 21 HA GLN 21 -3.744 -3.532 -0.146 149 1HB GLN 21 2HB GLN 21 -2.302 -4.850 1.998 150 2HB GLN 21 1HB GLN 21 -4.035 -5.077 2.173 151 1HG GLN 21 2HG GLN 21 -2.326 -5.808 -0.187 152 2HG GLN 21 1HG GLN 21 -3.157 -6.898 0.919 153 1HE2 GLN 21 1HE2 GLN 21 -5.603 -5.494 1.061 154 2HE2 GLN 21 2HE2 GLN 21 -6.395 -5.649 -0.466 155 H ASP 22 H ASP 22 -3.549 -2.672 3.316 156 HA ASP 22 HA ASP 22 -6.305 -2.465 3.745 157 1HB ASP 22 2HB ASP 22 -3.944 -1.197 5.124 158 2HB ASP 22 1HB ASP 22 -5.597 -0.928 5.667 159 H CYS 23 H CYS 23 -4.025 -0.236 2.344 160 HA CYS 23 HA CYS 23 -5.517 2.131 2.568 161 1HB CYS 23 2HB CYS 23 -3.043 1.568 1.717 162 2HB CYS 23 1HB CYS 23 -3.850 1.721 0.168 163 H CYS 24 H CYS 24 -5.141 -0.025 -0.233 164 HA CYS 24 HA CYS 24 -7.033 1.210 -1.865 165 1HB CYS 24 2HB CYS 24 -5.226 -0.631 -2.337 166 2HB CYS 24 1HB CYS 24 -6.547 -1.737 -1.995 167 H LYS 25 H LYS 25 -7.413 -1.892 -0.158 168 HA LYS 25 HA LYS 25 -10.021 -2.440 -0.563 169 1HB LYS 25 2HB LYS 25 -8.722 -3.988 0.636 170 2HB LYS 25 1HB LYS 25 -8.280 -2.808 1.856 171 1HG LYS 25 2HG LYS 25 -10.882 -2.851 2.327 172 2HG LYS 25 1HG LYS 25 -10.731 -4.451 1.599 173 1HD LYS 25 2HD LYS 25 -9.903 -5.248 3.496 174 2HD LYS 25 1HD LYS 25 -8.577 -4.092 3.421 175 1HE LYS 25 2HE LYS 25 -11.181 -3.050 4.341 176 2HE LYS 25 1HE LYS 25 -10.359 -4.169 5.427 177 1HZ LYS 25 1HZ LYS 25 -8.921 -1.872 4.252 178 2HZ LYS 25 2HZ LYS 25 -8.556 -2.749 5.651 179 3HZ LYS 25 3HZ LYS 25 -9.867 -1.682 5.643 180 H ASN 26 H ASN 26 -8.848 -0.441 2.161 181 HA ASN 26 HA ASN 26 -11.440 0.254 3.064 182 1HB ASN 26 2HB ASN 26 -8.886 0.559 4.035 183 2HB ASN 26 1HB ASN 26 -9.342 2.214 3.652 184 1HD2 ASN 26 1HD2 ASN 26 -8.998 0.563 6.193 185 2HD2 ASN 26 2HD2 ASN 26 -10.421 0.922 7.104 186 H ALA 27 H ALA 27 -9.369 1.537 0.596 187 HA ALA 27 HA ALA 27 -10.494 4.119 0.384 188 1HB ALA 27 1HB ALA 27 -8.328 3.396 -0.629 189 2HB ALA 27 2HB ALA 27 -9.390 4.269 -1.735 190 3HB ALA 27 3HB ALA 27 -9.252 2.514 -1.845 191 H GLY 28 H GLY 28 -11.448 0.989 -0.824 192 1HA GLY 28 2HA GLY 28 -14.008 1.053 -1.110 193 2HA GLY 28 1HA GLY 28 -13.622 2.224 -2.356 194 H HIS 29 H HIS 29 -11.110 0.166 -2.485 195 HA HIS 29 HA HIS 29 -12.397 -1.405 -4.603 196 1HB HIS 29 2HB HIS 29 -9.435 -1.059 -4.156 197 2HB HIS 29 1HB HIS 29 -10.244 -1.627 -5.610 198 HD1 HIS 29 1HD HIS 29 -11.944 0.336 -6.658 199 HD2 HIS 29 2HD HIS 29 -8.723 1.539 -4.325 200 HE1 HIS 29 1HE HIS 29 -11.566 2.756 -7.230 201 HE2 HIS 29 2HE HIS 29 -9.564 3.441 -5.862 202 H ASN 30 H ASN 30 -10.004 -3.251 -4.552 203 HA ASN 30 HA ASN 30 -10.959 -4.949 -2.355 204 1HB ASN 30 2HB ASN 30 -9.560 -5.716 -4.926 205 2HB ASN 30 1HB ASN 30 -10.082 -6.843 -3.677 206 1HD2 ASN 30 1HD2 ASN 30 -11.406 -7.922 -5.147 207 2HD2 ASN 30 2HD2 ASN 30 -12.909 -7.255 -5.678 208 H GLY 31 H GLY 31 -7.966 -4.149 -4.136 209 1HA GLY 31 2HA GLY 31 -6.452 -3.795 -1.780 210 2HA GLY 31 1HA GLY 31 -6.177 -5.406 -2.426 211 H GLY 32 H GLY 32 -3.953 -4.614 -2.632 212 1HA GLY 32 2HA GLY 32 -3.515 -3.635 -5.321 213 2HA GLY 32 1HA GLY 32 -2.947 -2.560 -4.053 214 H THR 33 H THR 33 -0.943 -3.113 -5.431 215 HA THR 33 HA THR 33 0.434 -5.341 -4.094 216 HB THR 33 HB THR 33 -0.062 -6.069 -6.355 217 HG1 THR 33 1HG THR 33 1.885 -6.824 -5.843 218 1HG2 THR 33 1HG2 THR 33 -0.369 -4.328 -7.779 219 2HG2 THR 33 2HG2 THR 33 1.293 -4.752 -8.186 220 3HG2 THR 33 3HG2 THR 33 0.968 -3.395 -7.108 221 H CYS 34 H CYS 34 2.776 -5.116 -4.025 222 HA CYS 34 HA CYS 34 3.545 -2.301 -3.736 223 1HB CYS 34 2HB CYS 34 3.750 -4.064 -1.848 224 2HB CYS 34 1HB CYS 34 5.151 -4.635 -2.741 225 H MET 35 H MET 35 4.856 -1.390 -5.172 226 HA MET 35 HA MET 35 6.680 -3.106 -6.714 227 1HB MET 35 2HB MET 35 4.668 -1.132 -7.693 228 2HB MET 35 1HB MET 35 6.179 -1.297 -8.576 229 1HG MET 35 2HG MET 35 4.657 -3.757 -7.904 230 2HG MET 35 1HG MET 35 4.057 -2.717 -9.194 231 1HE MET 35 1HE MET 35 4.508 -3.646 -11.525 232 2HE MET 35 2HE MET 35 4.302 -5.085 -10.527 233 3HE MET 35 3HE MET 35 5.598 -5.018 -11.721 234 H PHE 36 H PHE 36 8.603 -2.528 -5.865 235 HA PHE 36 HA PHE 36 10.344 -1.251 -5.127 236 1HB PHE 36 2HB PHE 36 10.590 -1.069 -7.534 237 2HB PHE 36 1HB PHE 36 9.478 0.289 -7.570 238 HD1 PHE 36 1HD PHE 36 12.765 -0.805 -6.313 239 HD2 PHE 36 2HD PHE 36 10.252 2.484 -7.273 240 HE1 PHE 36 1HE PHE 36 14.672 0.726 -6.020 241 HE2 PHE 36 2HE PHE 36 12.150 4.026 -6.984 242 HZ PHE 36 HZ PHE 36 14.363 3.147 -6.358 243 H PHE 37 H PHE 37 8.984 -0.656 -3.220 244 HA PHE 37 HA PHE 37 8.256 0.849 -1.684 245 1HB PHE 37 2HB PHE 37 9.841 2.888 -3.242 246 2HB PHE 37 1HB PHE 37 9.482 2.889 -1.519 247 HD1 PHE 37 1HD PHE 37 10.067 -0.108 -1.130 248 HD2 PHE 37 2HD PHE 37 12.214 3.043 -3.020 249 HE1 PHE 37 1HE PHE 37 12.178 -1.288 -0.686 250 HE2 PHE 37 2HE PHE 37 14.331 1.865 -2.581 251 HZ PHE 37 HZ PHE 37 14.313 -0.305 -1.415 252 H LYS 38 H LYS 38 6.778 0.601 -4.333 253 HA LYS 38 HA LYS 38 5.317 3.155 -4.179 254 1HB LYS 38 2HB LYS 38 6.490 2.246 -6.392 255 2HB LYS 38 1HB LYS 38 4.981 1.352 -6.525 256 1HG LYS 38 2HG LYS 38 3.737 3.463 -6.396 257 2HG LYS 38 1HG LYS 38 5.264 4.342 -6.309 258 1HD LYS 38 2HD LYS 38 5.891 3.391 -8.505 259 2HD LYS 38 1HD LYS 38 4.308 2.616 -8.592 260 1HE LYS 38 2HE LYS 38 3.297 4.515 -9.212 261 2HE LYS 38 1HE LYS 38 4.159 5.468 -8.005 262 1HZ LYS 38 1HZ LYS 38 5.937 5.816 -9.441 263 2HZ LYS 38 2HZ LYS 38 4.588 5.975 -10.448 264 3HZ LYS 38 3HZ LYS 38 5.497 4.550 -10.473 265 H CYS 39 H CYS 39 3.128 3.124 -3.886 266 HA CYS 39 HA CYS 39 1.969 0.506 -3.219 267 1HB CYS 39 2HB CYS 39 2.013 2.084 -1.362 268 2HB CYS 39 1HB CYS 39 1.169 3.285 -2.331 269 H LYS 40 H LYS 40 1.056 -0.238 -5.065 270 HA LYS 40 HA LYS 40 -0.800 1.561 -6.480 271 1HB LYS 40 2HB LYS 40 1.255 0.212 -7.577 272 2HB LYS 40 1HB LYS 40 0.004 -1.013 -7.719 273 1HG LYS 40 2HG LYS 40 0.099 0.270 -9.744 274 2HG LYS 40 1HG LYS 40 -1.415 0.618 -8.907 275 1HD LYS 40 2HD LYS 40 -0.607 2.715 -8.137 276 2HD LYS 40 1HD LYS 40 1.042 2.338 -8.640 277 1HE LYS 40 2HE LYS 40 0.280 2.301 -10.989 278 2HE LYS 40 1HE LYS 40 -1.333 2.768 -10.450 279 1HZ LYS 40 1HZ LYS 40 -0.528 4.848 -9.710 280 2HZ LYS 40 2HZ LYS 40 0.112 4.624 -11.259 281 3HZ LYS 40 3HZ LYS 40 1.090 4.387 -9.899 282 H CYS 41 H CYS 41 -2.747 0.468 -7.410 283 HA CYS 41 HA CYS 41 -3.850 -1.380 -5.428 284 1HB CYS 41 2HB CYS 41 -4.972 0.736 -7.188 285 2HB CYS 41 1HB CYS 41 -6.002 -0.621 -6.797 286 H ALA 42 H ALA 42 -5.917 -2.491 -6.738 287 HA ALA 42 HA ALA 42 -4.566 -4.230 -8.672 288 1HB ALA 42 1HB ALA 42 -6.816 -5.553 -8.251 289 2HB ALA 42 2HB ALA 42 -6.830 -4.580 -6.781 290 3HB ALA 42 3HB ALA 42 -5.464 -5.642 -7.122 Start of MODEL 7 1 1H ASP 1 1HT ASP 1 -10.097 10.998 -5.749 2 2H ASP 1 2HT ASP 1 -10.625 12.375 -6.627 3 3H ASP 1 3HT ASP 1 -11.707 11.560 -5.572 4 HA ASP 1 HA ASP 1 -10.838 13.637 -4.685 5 1HB ASP 1 2HB ASP 1 -11.375 11.267 -3.477 6 2HB ASP 1 1HB ASP 1 -9.723 11.532 -2.928 7 H ARG 2 H ARG 2 -8.809 13.741 -2.845 8 HA ARG 2 HA ARG 2 -6.419 13.759 -4.566 9 1HB ARG 2 2HB ARG 2 -7.457 15.642 -2.510 10 2HB ARG 2 1HB ARG 2 -5.712 15.462 -2.636 11 1HG ARG 2 2HG ARG 2 -6.068 15.883 -5.151 12 2HG ARG 2 1HG ARG 2 -7.648 16.501 -4.664 13 1HD ARG 2 2HD ARG 2 -5.629 17.594 -2.955 14 2HD ARG 2 1HD ARG 2 -5.167 17.842 -4.638 15 HE ARG 2 HE ARG 2 -7.776 18.602 -4.555 16 1HH1 ARG 2 1HH1 ARG 2 -4.926 19.503 -2.754 17 2HH1 ARG 2 2HH1 ARG 2 -5.471 21.119 -2.459 18 1HH2 ARG 2 1HH2 ARG 2 -8.494 20.729 -4.168 19 2HH2 ARG 2 2HH2 ARG 2 -7.497 21.816 -3.261 20 H ASP 3 H ASP 3 -7.218 11.433 -3.147 21 HA ASP 3 HA ASP 3 -5.561 11.267 -0.777 22 1HB ASP 3 2HB ASP 3 -7.846 9.970 -1.551 23 2HB ASP 3 1HB ASP 3 -6.616 8.758 -1.895 24 H SER 4 H SER 4 -5.739 9.111 -3.610 25 HA SER 4 HA SER 4 -4.130 7.891 -4.670 26 1HB SER 4 2HB SER 4 -2.214 9.174 -5.484 27 2HB SER 4 1HB SER 4 -3.686 10.139 -5.594 28 HG SER 4 HG SER 4 -1.575 10.994 -4.561 29 H CYS 5 H CYS 5 -3.853 6.362 -2.981 30 HA CYS 5 HA CYS 5 -2.060 6.681 -0.835 31 1HB CYS 5 2HB CYS 5 -3.893 4.907 -1.156 32 2HB CYS 5 1HB CYS 5 -2.700 4.024 -2.102 33 H VAL 6 H VAL 6 -1.573 5.858 -4.171 34 HA VAL 6 HA VAL 6 0.818 4.489 -4.139 35 HB VAL 6 HB VAL 6 0.244 6.666 -6.114 36 1HG1 VAL 6 1HG1 VAL 6 1.410 4.038 -6.835 37 2HG1 VAL 6 2HG1 VAL 6 2.428 5.183 -5.962 38 3HG1 VAL 6 3HG1 VAL 6 1.719 5.638 -7.511 39 1HG2 VAL 6 1HG2 VAL 6 -0.683 4.235 -7.153 40 2HG2 VAL 6 2HG2 VAL 6 -1.642 5.642 -6.696 41 3HG2 VAL 6 3HG2 VAL 6 -1.354 4.354 -5.527 42 H ASP 7 H ASP 7 0.252 7.930 -3.714 43 HA ASP 7 HA ASP 7 3.118 8.263 -3.109 44 1HB ASP 7 2HB ASP 7 1.618 9.603 -5.049 45 2HB ASP 7 1HB ASP 7 1.756 10.753 -3.723 46 H LYS 8 H LYS 8 1.161 7.414 -1.231 47 HA LYS 8 HA LYS 8 1.246 9.698 0.617 48 1HB LYS 8 2HB LYS 8 -1.087 8.878 -0.487 49 2HB LYS 8 1HB LYS 8 -1.030 7.836 0.928 50 1HG LYS 8 2HG LYS 8 -0.793 9.803 2.365 51 2HG LYS 8 1HG LYS 8 -0.868 10.843 0.941 52 1HD LYS 8 2HD LYS 8 -3.042 10.820 1.909 53 2HD LYS 8 1HD LYS 8 -3.114 9.838 0.445 54 1HE LYS 8 2HE LYS 8 -3.943 8.177 1.666 55 2HE LYS 8 1HE LYS 8 -2.398 8.082 2.510 56 1HZ LYS 8 1HZ LYS 8 -3.175 9.442 4.224 57 2HZ LYS 8 2HZ LYS 8 -4.472 8.401 3.909 58 3HZ LYS 8 3HZ LYS 8 -4.503 9.991 3.332 59 H SER 9 H SER 9 0.561 6.199 0.470 60 HA SER 9 HA SER 9 1.712 5.859 3.124 61 1HB SER 9 2HB SER 9 -0.445 4.707 2.157 62 2HB SER 9 1HB SER 9 0.715 3.574 1.463 63 HG SER 9 HG SER 9 1.252 2.889 3.427 64 H ARG 10 H ARG 10 3.380 4.308 3.554 65 HA ARG 10 HA ARG 10 5.433 4.332 1.522 66 1HB ARG 10 2HB ARG 10 5.973 4.825 3.875 67 2HB ARG 10 1HB ARG 10 5.472 3.200 4.325 68 1HG ARG 10 2HG ARG 10 7.305 2.214 3.305 69 2HG ARG 10 1HG ARG 10 7.614 3.620 2.286 70 1HD ARG 10 2HD ARG 10 9.175 4.179 3.776 71 2HD ARG 10 1HD ARG 10 7.845 4.629 4.839 72 HE ARG 10 HE ARG 10 7.992 2.293 5.707 73 1HH1 ARG 10 1HH1 ARG 10 10.788 3.811 4.248 74 2HH1 ARG 10 2HH1 ARG 10 11.918 2.827 5.111 75 1HH2 ARG 10 1HH2 ARG 10 9.487 1.009 6.836 76 2HH2 ARG 10 2HH2 ARG 10 11.183 1.241 6.576 77 H CYS 11 H CYS 11 6.535 2.478 0.758 78 HA CYS 11 HA CYS 11 5.113 -0.074 1.063 79 1HB CYS 11 2HB CYS 11 5.324 1.539 -1.320 80 2HB CYS 11 1HB CYS 11 6.127 -0.004 -1.565 81 H ALA 12 H ALA 12 6.460 -1.928 0.259 82 HA ALA 12 HA ALA 12 9.185 -1.598 1.223 83 1HB ALA 12 1HB ALA 12 8.603 -3.558 2.142 84 2HB ALA 12 2HB ALA 12 8.926 -4.243 0.549 85 3HB ALA 12 3HB ALA 12 7.279 -3.801 1.002 86 H LYS 13 H LYS 13 10.749 -3.247 -0.077 87 HA LYS 13 HA LYS 13 11.452 -1.997 -2.430 88 1HB LYS 13 2HB LYS 13 12.680 -3.799 -0.963 89 2HB LYS 13 1HB LYS 13 11.986 -4.921 -2.121 90 1HG LYS 13 2HG LYS 13 13.166 -3.952 -3.918 91 2HG LYS 13 1HG LYS 13 13.621 -2.547 -2.955 92 1HD LYS 13 2HD LYS 13 15.173 -3.769 -1.697 93 2HD LYS 13 1HD LYS 13 14.483 -5.317 -2.186 94 1HE LYS 13 2HE LYS 13 15.226 -4.828 -4.516 95 2HE LYS 13 1HE LYS 13 16.050 -3.396 -3.901 96 1HZ LYS 13 1HZ LYS 13 16.671 -5.872 -2.528 97 2HZ LYS 13 2HZ LYS 13 17.696 -4.620 -3.023 98 3HZ LYS 13 3HZ LYS 13 17.197 -5.792 -4.135 99 H TYR 14 H TYR 14 9.391 -4.832 -1.981 100 HA TYR 14 HA TYR 14 7.670 -4.350 -4.062 101 1HB TYR 14 2HB TYR 14 8.594 -6.315 -5.596 102 2HB TYR 14 1HB TYR 14 9.084 -4.644 -5.835 103 HD1 TYR 14 1HD TYR 14 10.188 -7.291 -3.431 104 HD2 TYR 14 2HD TYR 14 11.285 -4.582 -6.521 105 HE1 TYR 14 1HE TYR 14 12.540 -7.957 -3.171 106 HE2 TYR 14 2HE TYR 14 13.640 -5.241 -6.271 107 HH TYR 14 HH TYR 14 14.833 -7.494 -5.342 108 H GLY 15 H GLY 15 6.154 -6.051 -4.425 109 1HA GLY 15 2HA GLY 15 5.615 -8.433 -4.043 110 2HA GLY 15 1HA GLY 15 6.426 -8.275 -2.493 111 H TYR 16 H TYR 16 4.710 -8.856 -1.230 112 HA TYR 16 HA TYR 16 2.206 -7.372 -1.483 113 1HB TYR 16 2HB TYR 16 2.412 -9.940 -1.160 114 2HB TYR 16 1HB TYR 16 2.730 -9.547 0.525 115 HD1 TYR 16 1HD TYR 16 0.964 -8.086 1.730 116 HD2 TYR 16 2HD TYR 16 0.221 -10.152 -1.915 117 HE1 TYR 16 1HE TYR 16 -1.455 -7.962 2.159 118 HE2 TYR 16 2HE TYR 16 -2.198 -10.034 -1.496 119 HH TYR 16 HH TYR 16 -3.790 -8.763 -0.232 120 H TYR 17 H TYR 17 1.237 -6.316 0.304 121 HA TYR 17 HA TYR 17 2.737 -5.882 2.722 122 1HB TYR 17 2HB TYR 17 3.717 -4.286 0.980 123 2HB TYR 17 1HB TYR 17 2.168 -3.453 1.023 124 HD1 TYR 17 1HD TYR 17 2.830 -1.373 1.911 125 HD2 TYR 17 2HD TYR 17 3.924 -4.959 3.927 126 HE1 TYR 17 1HE TYR 17 3.594 -0.050 3.840 127 HE2 TYR 17 2HE TYR 17 4.688 -3.646 5.859 128 HH TYR 17 HH TYR 17 5.408 -1.428 6.411 129 H GLN 18 H GLN 18 1.087 -6.345 4.044 130 HA GLN 18 HA GLN 18 -1.602 -6.067 3.654 131 1HB GLN 18 2HB GLN 18 -0.151 -7.020 5.666 132 2HB GLN 18 1HB GLN 18 -0.580 -5.474 6.385 133 1HG GLN 18 2HG GLN 18 -2.800 -5.995 6.531 134 2HG GLN 18 1HG GLN 18 -2.734 -7.125 5.178 135 1HE2 GLN 18 1HE2 GLN 18 -4.061 -7.905 7.360 136 2HE2 GLN 18 2HE2 GLN 18 -3.175 -9.104 8.233 137 H GLU 19 H GLU 19 0.673 -3.578 4.602 138 HA GLU 19 HA GLU 19 -1.091 -1.640 5.551 139 1HB GLU 19 2HB GLU 19 1.611 -1.774 5.121 140 2HB GLU 19 1HB GLU 19 1.114 -0.599 3.911 141 1HG GLU 19 2HG GLU 19 -0.220 0.339 6.048 142 2HG GLU 19 1HG GLU 19 1.170 -0.394 6.846 143 H CYS 20 H CYS 20 0.285 -1.833 2.261 144 HA CYS 20 HA CYS 20 -1.309 0.123 1.095 145 1HB CYS 20 2HB CYS 20 0.717 -1.387 0.196 146 2HB CYS 20 1HB CYS 20 -0.618 -2.248 -0.560 147 H GLN 21 H GLN 21 -1.925 -3.299 1.620 148 HA GLN 21 HA GLN 21 -4.202 -3.644 0.069 149 1HB GLN 21 2HB GLN 21 -2.913 -5.010 2.284 150 2HB GLN 21 1HB GLN 21 -4.663 -5.133 2.387 151 1HG GLN 21 2HG GLN 21 -3.622 -5.633 -0.288 152 2HG GLN 21 1HG GLN 21 -3.025 -6.761 0.927 153 1HE2 GLN 21 1HE2 GLN 21 -5.180 -6.957 2.599 154 2HE2 GLN 21 2HE2 GLN 21 -6.505 -7.685 1.763 155 H ASP 22 H ASP 22 -4.054 -2.794 3.531 156 HA ASP 22 HA ASP 22 -6.775 -2.379 3.927 157 1HB ASP 22 2HB ASP 22 -4.452 -0.971 5.261 158 2HB ASP 22 1HB ASP 22 -6.108 -0.987 5.859 159 H CYS 23 H CYS 23 -4.298 -0.236 2.661 160 HA CYS 23 HA CYS 23 -5.697 2.176 2.691 161 1HB CYS 23 2HB CYS 23 -3.220 1.504 1.997 162 2HB CYS 23 1HB CYS 23 -3.930 1.578 0.395 163 H CYS 24 H CYS 24 -5.239 0.015 -0.093 164 HA CYS 24 HA CYS 24 -6.970 1.268 -1.839 165 1HB CYS 24 2HB CYS 24 -5.292 -0.670 -2.202 166 2HB CYS 24 1HB CYS 24 -6.652 -1.713 -1.814 167 H LYS 25 H LYS 25 -7.725 -1.659 0.081 168 HA LYS 25 HA LYS 25 -10.384 -1.891 -0.583 169 1HB LYS 25 2HB LYS 25 -10.694 -3.163 1.448 170 2HB LYS 25 1HB LYS 25 -9.131 -3.550 0.746 171 1HG LYS 25 2HG LYS 25 -8.043 -2.888 2.562 172 2HG LYS 25 1HG LYS 25 -8.959 -1.386 2.667 173 1HD LYS 25 2HD LYS 25 -10.480 -2.256 4.112 174 2HD LYS 25 1HD LYS 25 -10.389 -3.869 3.402 175 1HE LYS 25 2HE LYS 25 -9.393 -4.214 5.448 176 2HE LYS 25 1HE LYS 25 -7.993 -3.878 4.430 177 1HZ LYS 25 1HZ LYS 25 -8.526 -1.434 5.216 178 2HZ LYS 25 2HZ LYS 25 -7.565 -2.474 6.141 179 3HZ LYS 25 3HZ LYS 25 -9.194 -2.250 6.538 180 H ASN 26 H ASN 26 -8.914 0.337 1.699 181 HA ASN 26 HA ASN 26 -11.416 1.198 2.818 182 1HB ASN 26 2HB ASN 26 -8.776 1.477 3.560 183 2HB ASN 26 1HB ASN 26 -9.189 3.095 3.011 184 1HD2 ASN 26 1HD2 ASN 26 -9.687 0.671 5.405 185 2HD2 ASN 26 2HD2 ASN 26 -10.643 1.624 6.482 186 H ALA 27 H ALA 27 -9.478 2.028 0.072 187 HA ALA 27 HA ALA 27 -10.641 4.608 -0.377 188 1HB ALA 27 1HB ALA 27 -8.407 3.415 -1.296 189 2HB ALA 27 2HB ALA 27 -9.170 4.799 -2.080 190 3HB ALA 27 3HB ALA 27 -9.479 3.167 -2.673 191 H GLY 28 H GLY 28 -11.433 1.331 -1.232 192 1HA GLY 28 2HA GLY 28 -13.924 1.151 -1.655 193 2HA GLY 28 1HA GLY 28 -13.619 2.310 -2.935 194 H HIS 29 H HIS 29 -11.475 -0.355 -2.104 195 HA HIS 29 HA HIS 29 -12.372 -1.830 -4.466 196 1HB HIS 29 2HB HIS 29 -9.441 -1.309 -4.010 197 2HB HIS 29 1HB HIS 29 -10.219 -1.967 -5.444 198 HD1 HIS 29 1HD HIS 29 -12.037 -0.081 -6.518 199 HD2 HIS 29 2HD HIS 29 -8.754 1.272 -4.358 200 HE1 HIS 29 1HE HIS 29 -11.717 2.316 -7.211 201 HE2 HIS 29 2HE HIS 29 -9.673 3.087 -5.956 202 H ASN 30 H ASN 30 -9.959 -3.557 -4.289 203 HA ASN 30 HA ASN 30 -10.810 -5.112 -1.951 204 1HB ASN 30 2HB ASN 30 -10.356 -5.820 -4.649 205 2HB ASN 30 1HB ASN 30 -9.076 -6.583 -3.711 206 1HD2 ASN 30 1HD2 ASN 30 -12.568 -5.992 -3.453 207 2HD2 ASN 30 2HD2 ASN 30 -12.969 -7.582 -2.914 208 H GLY 31 H GLY 31 -7.799 -4.468 -3.782 209 1HA GLY 31 2HA GLY 31 -6.358 -3.796 -1.413 210 2HA GLY 31 1HA GLY 31 -5.989 -5.431 -1.942 211 H GLY 32 H GLY 32 -3.806 -4.722 -2.267 212 1HA GLY 32 2HA GLY 32 -3.353 -3.865 -4.971 213 2HA GLY 32 1HA GLY 32 -2.884 -2.651 -3.792 214 H THR 33 H THR 33 -0.777 -3.078 -4.924 215 HA THR 33 HA THR 33 0.708 -5.066 -3.372 216 HB THR 33 HB THR 33 0.356 -6.241 -5.413 217 HG1 THR 33 1HG THR 33 2.488 -6.341 -6.234 218 1HG2 THR 33 1HG2 THR 33 0.995 -3.649 -6.753 219 2HG2 THR 33 2HG2 THR 33 -0.373 -4.734 -7.007 220 3HG2 THR 33 3HG2 THR 33 1.230 -5.186 -7.585 221 H CYS 34 H CYS 34 3.002 -4.639 -3.253 222 HA CYS 34 HA CYS 34 3.566 -1.791 -3.387 223 1HB CYS 34 2HB CYS 34 4.619 -4.126 -1.875 224 2HB CYS 34 1HB CYS 34 5.723 -2.803 -2.188 225 H MET 35 H MET 35 4.559 -1.018 -5.128 226 HA MET 35 HA MET 35 6.457 -2.755 -6.564 227 1HB MET 35 2HB MET 35 4.372 -0.857 -7.514 228 2HB MET 35 1HB MET 35 5.862 -0.951 -8.442 229 1HG MET 35 2HG MET 35 4.529 -3.496 -7.723 230 2HG MET 35 1HG MET 35 3.771 -2.487 -8.953 231 1HE MET 35 1HE MET 35 5.451 -2.238 -11.751 232 2HE MET 35 2HE MET 35 6.971 -1.728 -11.019 233 3HE MET 35 3HE MET 35 5.441 -1.122 -10.386 234 H PHE 36 H PHE 36 8.394 -2.146 -5.738 235 HA PHE 36 HA PHE 36 10.177 -0.854 -5.164 236 1HB PHE 36 2HB PHE 36 10.341 -0.660 -7.560 237 2HB PHE 36 1HB PHE 36 9.145 0.624 -7.579 238 HD1 PHE 36 1HD PHE 36 12.318 -0.075 -5.786 239 HD2 PHE 36 2HD PHE 36 10.003 2.709 -8.004 240 HE1 PHE 36 1HE PHE 36 14.134 1.577 -5.585 241 HE2 PHE 36 2HE PHE 36 11.808 4.372 -7.814 242 HZ PHE 36 HZ PHE 36 13.878 3.806 -6.603 243 H PHE 37 H PHE 37 8.565 -0.326 -3.283 244 HA PHE 37 HA PHE 37 7.968 1.171 -1.686 245 1HB PHE 37 2HB PHE 37 9.468 3.264 -3.254 246 2HB PHE 37 1HB PHE 37 9.158 3.226 -1.521 247 HD1 PHE 37 1HD PHE 37 9.849 0.329 -1.040 248 HD2 PHE 37 2HD PHE 37 11.817 3.385 -3.254 249 HE1 PHE 37 1HE PHE 37 12.002 -0.802 -0.677 250 HE2 PHE 37 2HE PHE 37 13.975 2.256 -2.898 251 HZ PHE 37 HZ PHE 37 14.068 0.158 -1.608 252 H LYS 38 H LYS 38 6.494 0.944 -4.374 253 HA LYS 38 HA LYS 38 4.978 3.463 -4.168 254 1HB LYS 38 2HB LYS 38 4.960 1.515 -6.478 255 2HB LYS 38 1HB LYS 38 4.228 3.112 -6.432 256 1HG LYS 38 2HG LYS 38 7.137 2.973 -5.928 257 2HG LYS 38 1HG LYS 38 6.589 2.622 -7.568 258 1HD LYS 38 2HD LYS 38 5.144 4.878 -6.813 259 2HD LYS 38 1HD LYS 38 6.767 5.157 -6.179 260 1HE LYS 38 2HE LYS 38 7.438 5.736 -8.213 261 2HE LYS 38 1HE LYS 38 7.070 4.108 -8.782 262 1HZ LYS 38 1HZ LYS 38 5.665 5.205 -10.123 263 2HZ LYS 38 2HZ LYS 38 5.581 6.570 -9.129 264 3HZ LYS 38 3HZ LYS 38 4.642 5.209 -8.775 265 H CYS 39 H CYS 39 2.833 3.411 -3.709 266 HA CYS 39 HA CYS 39 1.753 0.826 -2.883 267 1HB CYS 39 2HB CYS 39 1.699 3.315 -1.696 268 2HB CYS 39 1HB CYS 39 0.086 3.181 -2.387 269 H LYS 40 H LYS 40 1.175 -0.070 -4.879 270 HA LYS 40 HA LYS 40 -0.809 1.388 -6.467 271 1HB LYS 40 2HB LYS 40 1.304 -0.422 -7.100 272 2HB LYS 40 1HB LYS 40 -0.210 -1.152 -7.610 273 1HG LYS 40 2HG LYS 40 -0.376 0.209 -9.353 274 2HG LYS 40 1HG LYS 40 -0.090 1.635 -8.356 275 1HD LYS 40 2HD LYS 40 2.005 1.809 -9.092 276 2HD LYS 40 1HD LYS 40 2.344 0.126 -8.687 277 1HE LYS 40 2HE LYS 40 0.751 -0.031 -10.952 278 2HE LYS 40 1HE LYS 40 1.805 1.349 -11.263 279 1HZ LYS 40 1HZ LYS 40 3.715 -0.062 -10.770 280 2HZ LYS 40 2HZ LYS 40 2.806 -0.689 -12.051 281 3HZ LYS 40 3HZ LYS 40 2.691 -1.385 -10.514 282 H CYS 41 H CYS 41 -2.682 0.136 -7.295 283 HA CYS 41 HA CYS 41 -3.777 -1.538 -5.156 284 1HB CYS 41 2HB CYS 41 -4.926 0.388 -7.105 285 2HB CYS 41 1HB CYS 41 -5.928 -0.958 -6.615 286 H ALA 42 H ALA 42 -5.800 -2.808 -6.408 287 HA ALA 42 HA ALA 42 -4.600 -4.300 -8.635 288 1HB ALA 42 1HB ALA 42 -5.789 -6.329 -7.351 289 2HB ALA 42 2HB ALA 42 -5.330 -5.336 -5.967 290 3HB ALA 42 3HB ALA 42 -4.100 -5.888 -7.104 Start of MODEL 8 1 1H ASP 1 1HT ASP 1 -10.571 15.229 0.140 2 2H ASP 1 2HT ASP 1 -8.874 15.419 0.306 3 3H ASP 1 3HT ASP 1 -9.534 13.885 -0.089 4 HA ASP 1 HA ASP 1 -10.428 14.898 -2.131 5 1HB ASP 1 2HB ASP 1 -8.986 17.174 -0.888 6 2HB ASP 1 1HB ASP 1 -8.794 16.990 -2.629 7 H ARG 2 H ARG 2 -9.507 13.492 -3.467 8 HA ARG 2 HA ARG 2 -7.968 12.193 -4.521 9 1HB ARG 2 2HB ARG 2 -5.954 14.388 -4.211 10 2HB ARG 2 1HB ARG 2 -6.244 13.330 -5.583 11 1HG ARG 2 2HG ARG 2 -8.145 14.542 -6.255 12 2HG ARG 2 1HG ARG 2 -8.232 15.405 -4.720 13 1HD ARG 2 2HD ARG 2 -7.070 17.046 -5.671 14 2HD ARG 2 1HD ARG 2 -5.685 15.956 -5.711 15 HE ARG 2 HE ARG 2 -7.221 15.388 -7.947 16 1HH1 ARG 2 1HH1 ARG 2 -5.425 18.096 -6.675 17 2HH1 ARG 2 2HH1 ARG 2 -5.050 18.743 -8.236 18 1HH2 ARG 2 1HH2 ARG 2 -6.729 16.237 -10.004 19 2HH2 ARG 2 2HH2 ARG 2 -5.790 17.688 -10.127 20 H ASP 3 H ASP 3 -7.623 10.580 -3.024 21 HA ASP 3 HA ASP 3 -5.728 10.928 -0.877 22 1HB ASP 3 2HB ASP 3 -7.718 9.517 -0.569 23 2HB ASP 3 1HB ASP 3 -7.156 8.440 -1.844 24 H SER 4 H SER 4 -5.875 8.337 -3.316 25 HA SER 4 HA SER 4 -4.236 7.199 -4.413 26 1HB SER 4 2HB SER 4 -3.128 10.008 -4.465 27 2HB SER 4 1HB SER 4 -2.345 8.666 -5.300 28 HG SER 4 HG SER 4 -4.509 8.352 -6.296 29 H CYS 5 H CYS 5 -3.744 5.940 -2.533 30 HA CYS 5 HA CYS 5 -1.871 6.635 -0.579 31 1HB CYS 5 2HB CYS 5 -3.499 4.488 -1.010 32 2HB CYS 5 1HB CYS 5 -1.917 3.788 -1.330 33 H VAL 6 H VAL 6 -1.423 5.742 -3.871 34 HA VAL 6 HA VAL 6 1.061 4.547 -3.906 35 HB VAL 6 HB VAL 6 -0.500 5.123 -5.863 36 1HG1 VAL 6 1HG1 VAL 6 0.035 7.098 -7.152 37 2HG1 VAL 6 2HG1 VAL 6 1.205 7.602 -5.931 38 3HG1 VAL 6 3HG1 VAL 6 -0.514 7.551 -5.539 39 1HG2 VAL 6 1HG2 VAL 6 2.031 4.223 -5.762 40 2HG2 VAL 6 2HG2 VAL 6 2.254 5.666 -6.750 41 3HG2 VAL 6 3HG2 VAL 6 1.123 4.413 -7.261 42 H ASP 7 H ASP 7 0.299 7.994 -3.799 43 HA ASP 7 HA ASP 7 3.122 8.551 -3.171 44 1HB ASP 7 2HB ASP 7 1.827 9.644 -5.195 45 2HB ASP 7 1HB ASP 7 1.210 10.716 -3.942 46 H LYS 8 H LYS 8 1.100 7.611 -1.278 47 HA LYS 8 HA LYS 8 1.134 9.912 0.560 48 1HB LYS 8 2HB LYS 8 -1.153 8.909 -0.458 49 2HB LYS 8 1HB LYS 8 -0.969 7.860 0.941 50 1HG LYS 8 2HG LYS 8 -2.005 9.458 2.086 51 2HG LYS 8 1HG LYS 8 -0.489 10.356 1.983 52 1HD LYS 8 2HD LYS 8 -2.646 10.513 -0.114 53 2HD LYS 8 1HD LYS 8 -2.560 11.609 1.266 54 1HE LYS 8 2HE LYS 8 -0.626 12.618 0.512 55 2HE LYS 8 1HE LYS 8 -0.159 11.228 -0.466 56 1HZ LYS 8 1HZ LYS 8 -0.852 12.755 -2.029 57 2HZ LYS 8 2HZ LYS 8 -2.118 13.342 -1.073 58 3HZ LYS 8 3HZ LYS 8 -2.251 11.827 -1.813 59 H SER 9 H SER 9 0.465 6.410 0.700 60 HA SER 9 HA SER 9 1.961 6.240 3.192 61 1HB SER 9 2HB SER 9 -0.308 5.108 2.771 62 2HB SER 9 1HB SER 9 0.590 3.948 1.792 63 HG SER 9 HG SER 9 0.269 3.917 4.392 64 H ARG 10 H ARG 10 3.699 4.794 3.517 65 HA ARG 10 HA ARG 10 5.456 4.589 1.258 66 1HB ARG 10 2HB ARG 10 5.863 4.871 3.933 67 2HB ARG 10 1HB ARG 10 6.189 3.155 3.728 68 1HG ARG 10 2HG ARG 10 7.706 3.927 1.774 69 2HG ARG 10 1HG ARG 10 7.624 5.502 2.563 70 1HD ARG 10 2HD ARG 10 8.424 4.468 4.653 71 2HD ARG 10 1HD ARG 10 8.566 2.923 3.813 72 HE ARG 10 HE ARG 10 10.077 4.571 2.302 73 1HH1 ARG 10 1HH1 ARG 10 10.005 3.893 5.725 74 2HH1 ARG 10 2HH1 ARG 10 11.693 4.206 5.949 75 1HH2 ARG 10 1HH2 ARG 10 12.298 4.983 2.595 76 2HH2 ARG 10 2HH2 ARG 10 12.995 4.825 4.172 77 H CYS 11 H CYS 11 6.821 2.225 1.754 78 HA CYS 11 HA CYS 11 5.197 -0.069 1.890 79 1HB CYS 11 2HB CYS 11 4.593 1.129 -0.391 80 2HB CYS 11 1HB CYS 11 6.080 0.366 -0.934 81 H ALA 12 H ALA 12 6.442 -2.003 0.783 82 HA ALA 12 HA ALA 12 9.187 -1.795 1.717 83 1HB ALA 12 1HB ALA 12 8.797 -4.385 0.809 84 2HB ALA 12 2HB ALA 12 7.220 -3.910 1.441 85 3HB ALA 12 3HB ALA 12 8.649 -3.823 2.474 86 H LYS 13 H LYS 13 10.617 -3.502 0.247 87 HA LYS 13 HA LYS 13 11.330 -2.056 -2.019 88 1HB LYS 13 2HB LYS 13 12.497 -3.995 -0.596 89 2HB LYS 13 1HB LYS 13 11.934 -4.956 -1.951 90 1HG LYS 13 2HG LYS 13 13.432 -4.072 -3.374 91 2HG LYS 13 1HG LYS 13 13.302 -2.460 -2.669 92 1HD LYS 13 2HD LYS 13 14.811 -4.790 -1.486 93 2HD LYS 13 1HD LYS 13 15.525 -3.408 -2.317 94 1HE LYS 13 2HE LYS 13 14.254 -2.009 -0.540 95 2HE LYS 13 1HE LYS 13 14.194 -3.525 0.358 96 1HZ LYS 13 1HZ LYS 13 16.500 -3.599 0.528 97 2HZ LYS 13 2HZ LYS 13 16.140 -1.968 0.793 98 3HZ LYS 13 3HZ LYS 13 16.739 -2.467 -0.707 99 H TYR 14 H TYR 14 9.337 -4.977 -1.717 100 HA TYR 14 HA TYR 14 7.654 -4.400 -3.839 101 1HB TYR 14 2HB TYR 14 8.666 -6.376 -5.346 102 2HB TYR 14 1HB TYR 14 9.096 -4.687 -5.579 103 HD1 TYR 14 1HD TYR 14 10.263 -7.031 -2.929 104 HD2 TYR 14 2HD TYR 14 11.281 -4.782 -6.394 105 HE1 TYR 14 1HE TYR 14 12.632 -7.591 -2.589 106 HE2 TYR 14 2HE TYR 14 13.653 -5.339 -6.065 107 HH TYR 14 HH TYR 14 15.027 -6.979 -4.970 108 H GLY 15 H GLY 15 6.129 -6.071 -4.285 109 1HA GLY 15 2HA GLY 15 5.578 -8.471 -3.969 110 2HA GLY 15 1HA GLY 15 6.295 -8.322 -2.372 111 H TYR 16 H TYR 16 4.654 -8.645 -1.004 112 HA TYR 16 HA TYR 16 2.157 -7.155 -1.454 113 1HB TYR 16 2HB TYR 16 2.065 -9.681 -1.311 114 2HB TYR 16 1HB TYR 16 2.539 -9.526 0.377 115 HD1 TYR 16 1HD TYR 16 1.028 -8.016 1.859 116 HD2 TYR 16 2HD TYR 16 -0.187 -9.639 -1.882 117 HE1 TYR 16 1HE TYR 16 -1.328 -7.706 2.496 118 HE2 TYR 16 2HE TYR 16 -2.546 -9.334 -1.254 119 HH TYR 16 HH TYR 16 -3.805 -7.685 0.431 120 H TYR 17 H TYR 17 1.495 -5.670 -0.023 121 HA TYR 17 HA TYR 17 2.827 -5.532 2.590 122 1HB TYR 17 2HB TYR 17 3.655 -3.874 0.706 123 2HB TYR 17 1HB TYR 17 2.200 -2.989 1.146 124 HD1 TYR 17 1HD TYR 17 2.988 -1.087 2.241 125 HD2 TYR 17 2HD TYR 17 4.532 -4.898 3.335 126 HE1 TYR 17 1HE TYR 17 4.184 -0.055 4.125 127 HE2 TYR 17 2HE TYR 17 5.731 -3.877 5.223 128 HH TYR 17 HH TYR 17 5.138 -0.674 6.263 129 H GLN 18 H GLN 18 1.264 -5.852 4.021 130 HA GLN 18 HA GLN 18 -1.447 -5.696 3.669 131 1HB GLN 18 2HB GLN 18 0.104 -6.446 5.713 132 2HB GLN 18 1HB GLN 18 -0.421 -4.890 6.340 133 1HG GLN 18 2HG GLN 18 -2.634 -5.535 6.463 134 2HG GLN 18 1HG GLN 18 -2.430 -6.824 5.278 135 1HE2 GLN 18 1HE2 GLN 18 -1.792 -8.821 5.938 136 2HE2 GLN 18 2HE2 GLN 18 -1.591 -9.265 7.596 137 H GLU 19 H GLU 19 0.767 -3.079 4.280 138 HA GLU 19 HA GLU 19 -1.119 -1.154 5.134 139 1HB GLU 19 2HB GLU 19 1.594 -1.220 4.951 140 2HB GLU 19 1HB GLU 19 1.199 -0.179 3.590 141 1HG GLU 19 2HG GLU 19 0.351 1.479 4.923 142 2HG GLU 19 1HG GLU 19 -0.059 0.369 6.229 143 H CYS 20 H CYS 20 0.107 -2.077 1.953 144 HA CYS 20 HA CYS 20 -1.257 -0.013 0.539 145 1HB CYS 20 2HB CYS 20 0.737 -1.759 -0.100 146 2HB CYS 20 1HB CYS 20 -0.629 -2.484 -0.941 147 H GLN 21 H GLN 21 -1.879 -3.516 0.857 148 HA GLN 21 HA GLN 21 -4.268 -3.559 -0.579 149 1HB GLN 21 2HB GLN 21 -4.727 -5.683 0.513 150 2HB GLN 21 1HB GLN 21 -3.036 -5.583 0.047 151 1HG GLN 21 2HG GLN 21 -2.395 -5.956 2.107 152 2HG GLN 21 1HG GLN 21 -3.337 -4.595 2.701 153 1HE2 GLN 21 1HE2 GLN 21 -5.858 -5.264 2.439 154 2HE2 GLN 21 2HE2 GLN 21 -6.242 -6.717 3.289 155 H ASP 22 H ASP 22 -3.615 -2.670 2.735 156 HA ASP 22 HA ASP 22 -6.341 -2.679 3.590 157 1HB ASP 22 2HB ASP 22 -4.371 -2.864 5.130 158 2HB ASP 22 1HB ASP 22 -4.015 -1.171 4.801 159 H CYS 23 H CYS 23 -4.121 -0.252 2.322 160 HA CYS 23 HA CYS 23 -5.730 2.011 2.739 161 1HB CYS 23 2HB CYS 23 -3.218 1.636 1.878 162 2HB CYS 23 1HB CYS 23 -4.016 1.914 0.340 163 H CYS 24 H CYS 24 -5.199 0.161 -0.253 164 HA CYS 24 HA CYS 24 -7.091 1.421 -1.837 165 1HB CYS 24 2HB CYS 24 -5.320 -0.329 -2.475 166 2HB CYS 24 1HB CYS 24 -6.524 -1.530 -2.023 167 H LYS 25 H LYS 25 -7.500 -1.608 0.005 168 HA LYS 25 HA LYS 25 -10.143 -2.129 -0.519 169 1HB LYS 25 2HB LYS 25 -8.802 -3.692 0.703 170 2HB LYS 25 1HB LYS 25 -8.532 -2.539 1.999 171 1HG LYS 25 2HG LYS 25 -11.225 -2.712 2.060 172 2HG LYS 25 1HG LYS 25 -10.806 -4.330 1.497 173 1HD LYS 25 2HD LYS 25 -10.178 -4.920 3.544 174 2HD LYS 25 1HD LYS 25 -9.040 -3.577 3.619 175 1HE LYS 25 2HE LYS 25 -11.885 -2.892 3.997 176 2HE LYS 25 1HE LYS 25 -11.141 -3.848 5.279 177 1HZ LYS 25 1HZ LYS 25 -9.628 -1.549 4.325 178 2HZ LYS 25 2HZ LYS 25 -9.807 -2.151 5.896 179 3HZ LYS 25 3HZ LYS 25 -11.032 -1.209 5.208 180 H ASN 26 H ASN 26 -8.800 0.128 1.845 181 HA ASN 26 HA ASN 26 -11.330 0.801 2.994 182 1HB ASN 26 2HB ASN 26 -8.674 1.202 3.682 183 2HB ASN 26 1HB ASN 26 -9.249 2.820 3.300 184 1HD2 ASN 26 1HD2 ASN 26 -9.078 0.431 5.632 185 2HD2 ASN 26 2HD2 ASN 26 -10.214 1.083 6.758 186 H ALA 27 H ALA 27 -9.519 1.873 0.250 187 HA ALA 27 HA ALA 27 -10.771 4.429 -0.017 188 1HB ALA 27 1HB ALA 27 -8.825 4.472 -1.182 189 2HB ALA 27 2HB ALA 27 -9.887 3.970 -2.497 190 3HB ALA 27 3HB ALA 27 -8.926 2.771 -1.632 191 H GLY 28 H GLY 28 -11.499 1.184 -1.047 192 1HA GLY 28 2HA GLY 28 -14.028 0.986 -1.345 193 2HA GLY 28 1HA GLY 28 -13.776 2.180 -2.608 194 H HIS 29 H HIS 29 -11.582 -0.471 -1.896 195 HA HIS 29 HA HIS 29 -12.510 -1.905 -4.271 196 1HB HIS 29 2HB HIS 29 -9.601 -1.216 -3.820 197 2HB HIS 29 1HB HIS 29 -10.285 -2.061 -5.204 198 HD1 HIS 29 1HD HIS 29 -12.338 -0.407 -6.348 199 HD2 HIS 29 2HD HIS 29 -9.059 1.338 -4.488 200 HE1 HIS 29 1HE HIS 29 -12.206 1.929 -7.270 201 HE2 HIS 29 2HE HIS 29 -10.151 2.928 -6.209 202 H ASN 30 H ASN 30 -10.056 -3.608 -4.146 203 HA ASN 30 HA ASN 30 -10.849 -5.186 -1.799 204 1HB ASN 30 2HB ASN 30 -10.404 -5.870 -4.551 205 2HB ASN 30 1HB ASN 30 -9.261 -6.753 -3.546 206 1HD2 ASN 30 1HD2 ASN 30 -12.693 -5.929 -3.777 207 2HD2 ASN 30 2HD2 ASN 30 -13.275 -7.433 -3.156 208 H GLY 31 H GLY 31 -7.998 -4.196 -3.692 209 1HA GLY 31 2HA GLY 31 -6.414 -3.665 -1.440 210 2HA GLY 31 1HA GLY 31 -6.071 -5.306 -1.970 211 H GLY 32 H GLY 32 -3.942 -4.767 -2.510 212 1HA GLY 32 2HA GLY 32 -3.620 -3.832 -5.195 213 2HA GLY 32 1HA GLY 32 -3.026 -2.667 -4.023 214 H THR 33 H THR 33 -0.956 -3.045 -5.107 215 HA THR 33 HA THR 33 0.458 -5.270 -3.834 216 HB THR 33 HB THR 33 -0.008 -6.059 -6.076 217 HG1 THR 33 1HG THR 33 2.084 -6.470 -6.693 218 1HG2 THR 33 1HG2 THR 33 0.944 -3.369 -6.895 219 2HG2 THR 33 2HG2 THR 33 -0.398 -4.333 -7.510 220 3HG2 THR 33 3HG2 THR 33 1.258 -4.744 -7.953 221 H CYS 34 H CYS 34 2.851 -4.983 -3.952 222 HA CYS 34 HA CYS 34 3.510 -2.135 -3.649 223 1HB CYS 34 2HB CYS 34 3.792 -3.799 -1.712 224 2HB CYS 34 1HB CYS 34 5.161 -4.429 -2.616 225 H MET 35 H MET 35 4.878 -1.196 -5.024 226 HA MET 35 HA MET 35 6.666 -2.898 -6.622 227 1HB MET 35 2HB MET 35 4.632 -0.927 -7.545 228 2HB MET 35 1HB MET 35 6.140 -1.037 -8.442 229 1HG MET 35 2HG MET 35 5.070 -3.658 -7.932 230 2HG MET 35 1HG MET 35 3.873 -2.634 -8.721 231 1HE MET 35 1HE MET 35 7.055 -4.385 -8.658 232 2HE MET 35 2HE MET 35 8.037 -3.169 -9.476 233 3HE MET 35 3HE MET 35 7.522 -4.615 -10.344 234 H PHE 36 H PHE 36 8.487 -2.291 -5.453 235 HA PHE 36 HA PHE 36 10.245 -1.012 -4.782 236 1HB PHE 36 2HB PHE 36 10.627 -0.913 -7.155 237 2HB PHE 36 1HB PHE 36 9.463 0.386 -7.333 238 HD1 PHE 36 1HD PHE 36 12.626 -0.418 -5.584 239 HD2 PHE 36 2HD PHE 36 10.222 2.570 -7.411 240 HE1 PHE 36 1HE PHE 36 14.450 1.212 -5.297 241 HE2 PHE 36 2HE PHE 36 12.036 4.211 -7.133 242 HZ PHE 36 HZ PHE 36 14.154 3.531 -6.074 243 H PHE 37 H PHE 37 8.518 -0.377 -3.052 244 HA PHE 37 HA PHE 37 7.852 1.192 -1.558 245 1HB PHE 37 2HB PHE 37 9.438 3.228 -3.111 246 2HB PHE 37 1HB PHE 37 9.064 3.218 -1.390 247 HD1 PHE 37 1HD PHE 37 9.729 0.360 -0.789 248 HD2 PHE 37 2HD PHE 37 11.779 3.304 -3.077 249 HE1 PHE 37 1HE PHE 37 11.862 -0.778 -0.334 250 HE2 PHE 37 2HE PHE 37 13.917 2.171 -2.626 251 HZ PHE 37 HZ PHE 37 13.959 0.125 -1.253 252 H LYS 38 H LYS 38 6.717 1.049 -4.547 253 HA LYS 38 HA LYS 38 5.112 3.498 -4.347 254 1HB LYS 38 2HB LYS 38 6.371 2.210 -6.542 255 2HB LYS 38 1HB LYS 38 4.635 2.091 -6.791 256 1HG LYS 38 2HG LYS 38 4.368 4.385 -6.879 257 2HG LYS 38 1HG LYS 38 5.893 4.699 -6.053 258 1HD LYS 38 2HD LYS 38 6.804 3.404 -8.226 259 2HD LYS 38 1HD LYS 38 5.354 4.144 -8.904 260 1HE LYS 38 2HE LYS 38 6.778 6.046 -7.285 261 2HE LYS 38 1HE LYS 38 7.860 5.337 -8.483 262 1HZ LYS 38 1HZ LYS 38 6.586 6.126 -10.224 263 2HZ LYS 38 2HZ LYS 38 6.495 7.400 -9.115 264 3HZ LYS 38 3HZ LYS 38 5.198 6.325 -9.275 265 H CYS 39 H CYS 39 3.055 3.347 -3.748 266 HA CYS 39 HA CYS 39 1.908 0.713 -3.331 267 1HB CYS 39 2HB CYS 39 1.762 3.164 -1.974 268 2HB CYS 39 1HB CYS 39 0.149 2.894 -2.625 269 H LYS 40 H LYS 40 0.696 -0.225 -4.805 270 HA LYS 40 HA LYS 40 -0.985 1.456 -6.548 271 1HB LYS 40 2HB LYS 40 1.072 0.226 -7.583 272 2HB LYS 40 1HB LYS 40 0.069 -1.210 -7.438 273 1HG LYS 40 2HG LYS 40 -0.156 -0.329 -9.649 274 2HG LYS 40 1HG LYS 40 -1.672 -0.071 -8.785 275 1HD LYS 40 2HD LYS 40 -1.514 2.052 -9.473 276 2HD LYS 40 1HD LYS 40 -0.263 2.225 -8.241 277 1HE LYS 40 2HE LYS 40 1.134 2.785 -9.882 278 2HE LYS 40 1HE LYS 40 1.056 1.107 -10.416 279 1HZ LYS 40 1HZ LYS 40 -0.288 1.624 -12.135 280 2HZ LYS 40 2HZ LYS 40 0.421 3.150 -11.972 281 3HZ LYS 40 3HZ LYS 40 -1.101 2.851 -11.299 282 H CYS 41 H CYS 41 -2.945 0.355 -7.342 283 HA CYS 41 HA CYS 41 -4.057 -1.333 -5.244 284 1HB CYS 41 2HB CYS 41 -5.171 0.486 -7.317 285 2HB CYS 41 1HB CYS 41 -6.174 -0.830 -6.753 286 H ALA 42 H ALA 42 -6.013 -2.689 -6.428 287 HA ALA 42 HA ALA 42 -4.907 -4.171 -8.692 288 1HB ALA 42 1HB ALA 42 -5.713 -6.279 -7.245 289 2HB ALA 42 2HB ALA 42 -5.176 -5.217 -5.943 290 3HB ALA 42 3HB ALA 42 -4.056 -5.671 -7.228 Start of MODEL 9 1 1H ASP 1 1HT ASP 1 -10.969 13.991 -1.078 2 2H ASP 1 2HT ASP 1 -9.325 13.514 -0.947 3 3H ASP 1 3HT ASP 1 -10.316 12.857 -2.186 4 HA ASP 1 HA ASP 1 -10.408 14.824 -3.337 5 1HB ASP 1 2HB ASP 1 -10.659 16.062 -1.042 6 2HB ASP 1 1HB ASP 1 -8.916 16.276 -1.174 7 H ARG 2 H ARG 2 -8.980 13.486 -4.533 8 HA ARG 2 HA ARG 2 -7.028 12.950 -5.565 9 1HB ARG 2 2HB ARG 2 -7.031 15.655 -5.299 10 2HB ARG 2 1HB ARG 2 -5.529 15.247 -4.485 11 1HG ARG 2 2HG ARG 2 -4.734 14.096 -6.462 12 2HG ARG 2 1HG ARG 2 -6.263 14.413 -7.283 13 1HD ARG 2 2HD ARG 2 -5.325 16.895 -6.339 14 2HD ARG 2 1HD ARG 2 -3.941 16.078 -7.064 15 HE ARG 2 HE ARG 2 -6.014 15.786 -8.855 16 1HH1 ARG 2 1HH1 ARG 2 -4.283 18.443 -7.398 17 2HH1 ARG 2 2HH1 ARG 2 -4.511 19.498 -8.752 18 1HH2 ARG 2 1HH2 ARG 2 -6.316 17.171 -10.636 19 2HH2 ARG 2 2HH2 ARG 2 -5.666 18.777 -10.591 20 H ASP 3 H ASP 3 -7.497 12.001 -2.881 21 HA ASP 3 HA ASP 3 -5.242 12.129 -1.234 22 1HB ASP 3 2HB ASP 3 -7.456 11.212 -0.557 23 2HB ASP 3 1HB ASP 3 -7.135 9.788 -1.543 24 H SER 4 H SER 4 -6.148 9.275 -3.171 25 HA SER 4 HA SER 4 -4.890 7.666 -4.176 26 1HB SER 4 2HB SER 4 -2.744 9.720 -4.639 27 2HB SER 4 1HB SER 4 -3.263 8.403 -5.692 28 HG SER 4 HG SER 4 -4.157 10.195 -6.561 29 H CYS 5 H CYS 5 -4.313 6.262 -2.596 30 HA CYS 5 HA CYS 5 -2.488 6.745 -0.532 31 1HB CYS 5 2HB CYS 5 -3.348 4.146 -1.812 32 2HB CYS 5 1HB CYS 5 -2.391 4.244 -0.338 33 H VAL 6 H VAL 6 -1.994 5.818 -3.848 34 HA VAL 6 HA VAL 6 0.506 4.653 -3.785 35 HB VAL 6 HB VAL 6 -0.316 6.645 -5.867 36 1HG1 VAL 6 1HG1 VAL 6 0.899 4.674 -7.204 37 2HG1 VAL 6 2HG1 VAL 6 1.727 4.529 -5.653 38 3HG1 VAL 6 3HG1 VAL 6 1.763 6.057 -6.532 39 1HG2 VAL 6 1HG2 VAL 6 -1.041 4.207 -6.867 40 2HG2 VAL 6 2HG2 VAL 6 -2.146 5.385 -6.160 41 3HG2 VAL 6 3HG2 VAL 6 -1.508 4.071 -5.172 42 H ASP 7 H ASP 7 -0.362 8.016 -3.401 43 HA ASP 7 HA ASP 7 2.491 8.684 -3.096 44 1HB ASP 7 2HB ASP 7 0.411 9.962 -4.592 45 2HB ASP 7 1HB ASP 7 0.943 11.057 -3.321 46 H LYS 8 H LYS 8 0.704 7.529 -1.074 47 HA LYS 8 HA LYS 8 1.033 9.617 0.957 48 1HB LYS 8 2HB LYS 8 -1.365 9.486 0.183 49 2HB LYS 8 1HB LYS 8 -1.408 7.846 0.816 50 1HG LYS 8 2HG LYS 8 -0.441 9.284 2.942 51 2HG LYS 8 1HG LYS 8 -1.596 10.396 2.206 52 1HD LYS 8 2HD LYS 8 -2.932 9.203 3.672 53 2HD LYS 8 1HD LYS 8 -3.164 8.323 2.159 54 1HE LYS 8 2HE LYS 8 -2.806 6.659 3.771 55 2HE LYS 8 1HE LYS 8 -1.259 6.818 2.938 56 1HZ LYS 8 1HZ LYS 8 -0.348 7.995 4.733 57 2HZ LYS 8 2HZ LYS 8 -1.184 6.706 5.441 58 3HZ LYS 8 3HZ LYS 8 -1.856 8.258 5.456 59 H SER 9 H SER 9 0.009 6.215 0.601 60 HA SER 9 HA SER 9 1.422 5.540 3.057 61 1HB SER 9 2HB SER 9 -0.704 4.521 2.960 62 2HB SER 9 1HB SER 9 -0.495 4.046 1.275 63 HG SER 9 HG SER 9 1.003 3.021 3.458 64 H ARG 10 H ARG 10 3.514 5.087 2.933 65 HA ARG 10 HA ARG 10 4.941 4.537 0.605 66 1HB ARG 10 2HB ARG 10 5.568 5.070 3.217 67 2HB ARG 10 1HB ARG 10 6.071 3.391 3.062 68 1HG ARG 10 2HG ARG 10 7.966 4.638 2.540 69 2HG ARG 10 1HG ARG 10 7.328 4.131 0.974 70 1HD ARG 10 2HD ARG 10 6.039 6.468 1.255 71 2HD ARG 10 1HD ARG 10 7.494 6.823 2.185 72 HE ARG 10 HE ARG 10 7.288 6.688 -0.628 73 1HH1 ARG 10 1HH1 ARG 10 9.436 5.843 1.990 74 2HH1 ARG 10 2HH1 ARG 10 10.864 5.947 1.018 75 1HH2 ARG 10 1HH2 ARG 10 9.166 6.828 -1.908 76 2HH2 ARG 10 2HH2 ARG 10 10.711 6.507 -1.195 77 H CYS 11 H CYS 11 6.549 2.348 1.152 78 HA CYS 11 HA CYS 11 5.114 -0.032 1.657 79 1HB CYS 11 2HB CYS 11 4.371 0.921 -0.735 80 2HB CYS 11 1HB CYS 11 5.828 0.064 -1.228 81 H ALA 12 H ALA 12 6.432 -1.979 0.680 82 HA ALA 12 HA ALA 12 9.198 -1.493 1.436 83 1HB ALA 12 1HB ALA 12 9.051 -4.162 0.894 84 2HB ALA 12 2HB ALA 12 7.394 -3.801 1.382 85 3HB ALA 12 3HB ALA 12 8.734 -3.431 2.468 86 H LYS 13 H LYS 13 10.702 -3.199 0.108 87 HA LYS 13 HA LYS 13 11.275 -1.992 -2.308 88 1HB LYS 13 2HB LYS 13 12.876 -3.393 -1.122 89 2HB LYS 13 1HB LYS 13 11.896 -4.818 -1.437 90 1HG LYS 13 2HG LYS 13 12.405 -4.793 -3.729 91 2HG LYS 13 1HG LYS 13 13.040 -3.148 -3.652 92 1HD LYS 13 2HD LYS 13 14.798 -4.095 -2.056 93 2HD LYS 13 1HD LYS 13 14.269 -5.685 -2.609 94 1HE LYS 13 2HE LYS 13 14.775 -5.039 -4.919 95 2HE LYS 13 1HE LYS 13 15.316 -3.458 -4.355 96 1HZ LYS 13 1HZ LYS 13 16.572 -5.758 -3.100 97 2HZ LYS 13 2HZ LYS 13 17.250 -4.292 -3.602 98 3HZ LYS 13 3HZ LYS 13 16.950 -5.515 -4.731 99 H TYR 14 H TYR 14 9.323 -4.893 -1.713 100 HA TYR 14 HA TYR 14 7.585 -4.472 -3.842 101 1HB TYR 14 2HB TYR 14 8.438 -6.521 -5.240 102 2HB TYR 14 1HB TYR 14 9.116 -4.921 -5.511 103 HD1 TYR 14 1HD TYR 14 9.989 -6.956 -2.567 104 HD2 TYR 14 2HD TYR 14 11.166 -5.732 -6.468 105 HE1 TYR 14 1HE TYR 14 12.243 -7.851 -2.161 106 HE2 TYR 14 2HE TYR 14 13.423 -6.624 -6.073 107 HH TYR 14 HH TYR 14 14.169 -8.613 -3.376 108 H GLY 15 H GLY 15 6.277 -6.484 -4.375 109 1HA GLY 15 2HA GLY 15 5.618 -8.709 -3.707 110 2HA GLY 15 1HA GLY 15 6.325 -8.394 -2.130 111 H TYR 16 H TYR 16 4.632 -8.651 -0.793 112 HA TYR 16 HA TYR 16 2.206 -7.078 -1.347 113 1HB TYR 16 2HB TYR 16 2.029 -9.621 -1.208 114 2HB TYR 16 1HB TYR 16 2.370 -9.448 0.510 115 HD1 TYR 16 1HD TYR 16 0.783 -8.079 1.925 116 HD2 TYR 16 2HD TYR 16 -0.143 -9.276 -2.051 117 HE1 TYR 16 1HE TYR 16 -1.601 -7.666 2.363 118 HE2 TYR 16 2HE TYR 16 -2.530 -8.866 -1.625 119 HH TYR 16 HH TYR 16 -3.916 -7.491 -0.079 120 H TYR 17 H TYR 17 1.578 -5.569 0.075 121 HA TYR 17 HA TYR 17 2.872 -5.502 2.713 122 1HB TYR 17 2HB TYR 17 3.885 -3.876 1.035 123 2HB TYR 17 1HB TYR 17 2.345 -3.028 1.063 124 HD1 TYR 17 1HD TYR 17 3.149 -0.964 1.932 125 HD2 TYR 17 2HD TYR 17 3.909 -4.587 4.032 126 HE1 TYR 17 1HE TYR 17 3.906 0.331 3.882 127 HE2 TYR 17 2HE TYR 17 4.662 -3.302 5.988 128 HH TYR 17 HH TYR 17 5.487 -0.124 5.894 129 H GLN 18 H GLN 18 1.239 -5.941 4.054 130 HA GLN 18 HA GLN 18 -1.447 -5.682 3.693 131 1HB GLN 18 2HB GLN 18 0.021 -6.584 5.712 132 2HB GLN 18 1HB GLN 18 -0.406 -5.027 6.405 133 1HG GLN 18 2HG GLN 18 -2.830 -5.774 5.648 134 2HG GLN 18 1HG GLN 18 -2.110 -7.375 5.809 135 1HE2 GLN 18 1HE2 GLN 18 -2.585 -4.325 7.526 136 2HE2 GLN 18 2HE2 GLN 18 -2.663 -5.019 9.106 137 H GLU 19 H GLU 19 0.803 -3.142 4.508 138 HA GLU 19 HA GLU 19 -1.082 -1.224 5.380 139 1HB GLU 19 2HB GLU 19 1.730 -1.346 4.943 140 2HB GLU 19 1HB GLU 19 1.119 0.068 4.096 141 1HG GLU 19 2HG GLU 19 -0.002 -0.172 6.755 142 2HG GLU 19 1HG GLU 19 1.760 -0.113 6.777 143 H CYS 20 H CYS 20 0.266 -2.013 2.214 144 HA CYS 20 HA CYS 20 -0.988 0.124 0.824 145 1HB CYS 20 2HB CYS 20 1.019 -1.234 0.055 146 2HB CYS 20 1HB CYS 20 -0.117 -2.506 -0.372 147 H GLN 21 H GLN 21 -1.709 -3.369 0.914 148 HA GLN 21 HA GLN 21 -4.070 -3.281 -0.551 149 1HB GLN 21 2HB GLN 21 -4.601 -5.442 0.415 150 2HB GLN 21 1HB GLN 21 -2.890 -5.360 0.020 151 1HG GLN 21 2HG GLN 21 -2.335 -5.835 2.085 152 2HG GLN 21 1HG GLN 21 -3.285 -4.492 2.708 153 1HE2 GLN 21 1HE2 GLN 21 -5.797 -5.097 2.340 154 2HE2 GLN 21 2HE2 GLN 21 -6.234 -6.591 3.088 155 H ASP 22 H ASP 22 -3.466 -2.546 2.806 156 HA ASP 22 HA ASP 22 -6.164 -2.575 3.678 157 1HB ASP 22 2HB ASP 22 -4.253 -2.695 5.235 158 2HB ASP 22 1HB ASP 22 -3.806 -1.047 4.805 159 H CYS 23 H CYS 23 -4.002 0.018 2.581 160 HA CYS 23 HA CYS 23 -5.756 2.164 2.910 161 1HB CYS 23 2HB CYS 23 -3.205 1.974 2.164 162 2HB CYS 23 1HB CYS 23 -3.934 2.159 0.580 163 H CYS 24 H CYS 24 -4.994 0.429 -0.095 164 HA CYS 24 HA CYS 24 -6.803 1.568 -1.796 165 1HB CYS 24 2HB CYS 24 -5.072 -0.182 -2.345 166 2HB CYS 24 1HB CYS 24 -6.206 -1.391 -1.754 167 H LYS 25 H LYS 25 -7.423 -1.382 0.122 168 HA LYS 25 HA LYS 25 -10.095 -1.712 -0.562 169 1HB LYS 25 2HB LYS 25 -9.047 -3.498 0.558 170 2HB LYS 25 1HB LYS 25 -8.496 -2.469 1.870 171 1HG LYS 25 2HG LYS 25 -11.421 -2.785 1.475 172 2HG LYS 25 1HG LYS 25 -10.513 -4.134 2.163 173 1HD LYS 25 2HD LYS 25 -10.073 -1.403 3.268 174 2HD LYS 25 1HD LYS 25 -11.551 -2.259 3.697 175 1HE LYS 25 2HE LYS 25 -10.313 -3.159 5.334 176 2HE LYS 25 1HE LYS 25 -9.668 -4.194 4.060 177 1HZ LYS 25 1HZ LYS 25 -8.425 -1.941 5.433 178 2HZ LYS 25 2HZ LYS 25 -8.072 -2.116 3.789 179 3HZ LYS 25 3HZ LYS 25 -7.734 -3.378 4.864 180 H ASN 26 H ASN 26 -8.612 0.352 1.863 181 HA ASN 26 HA ASN 26 -11.011 1.096 3.183 182 1HB ASN 26 2HB ASN 26 -8.304 1.491 3.604 183 2HB ASN 26 1HB ASN 26 -8.896 3.107 3.242 184 1HD2 ASN 26 1HD2 ASN 26 -9.688 0.264 5.201 185 2HD2 ASN 26 2HD2 ASN 26 -10.254 1.152 6.570 186 H ALA 27 H ALA 27 -9.479 2.125 0.258 187 HA ALA 27 HA ALA 27 -10.833 4.659 0.104 188 1HB ALA 27 1HB ALA 27 -9.018 3.105 -1.670 189 2HB ALA 27 2HB ALA 27 -8.880 4.764 -1.086 190 3HB ALA 27 3HB ALA 27 -10.010 4.376 -2.383 191 H GLY 28 H GLY 28 -11.265 1.436 -1.254 192 1HA GLY 28 2HA GLY 28 -13.870 1.122 -1.373 193 2HA GLY 28 1HA GLY 28 -13.671 2.302 -2.657 194 H HIS 29 H HIS 29 -11.453 -0.327 -1.861 195 HA HIS 29 HA HIS 29 -12.294 -1.759 -4.271 196 1HB HIS 29 2HB HIS 29 -9.389 -1.171 -3.708 197 2HB HIS 29 1HB HIS 29 -10.077 -1.897 -5.155 198 HD1 HIS 29 1HD HIS 29 -11.994 -0.088 -6.274 199 HD2 HIS 29 2HD HIS 29 -8.729 1.398 -4.178 200 HE1 HIS 29 1HE HIS 29 -11.733 2.294 -7.036 201 HE2 HIS 29 2HE HIS 29 -9.714 3.156 -5.800 202 H ASN 30 H ASN 30 -9.860 -3.477 -4.048 203 HA ASN 30 HA ASN 30 -10.682 -4.994 -1.664 204 1HB ASN 30 2HB ASN 30 -10.902 -5.838 -4.223 205 2HB ASN 30 1HB ASN 30 -9.281 -6.417 -3.848 206 1HD2 ASN 30 1HD2 ASN 30 -12.374 -6.201 -2.113 207 2HD2 ASN 30 2HD2 ASN 30 -12.385 -7.847 -1.587 208 H GLY 31 H GLY 31 -7.887 -4.303 -3.776 209 1HA GLY 31 2HA GLY 31 -6.137 -3.902 -1.583 210 2HA GLY 31 1HA GLY 31 -5.923 -5.524 -2.222 211 H GLY 32 H GLY 32 -3.823 -5.105 -2.915 212 1HA GLY 32 2HA GLY 32 -3.584 -4.158 -5.563 213 2HA GLY 32 1HA GLY 32 -3.011 -2.921 -4.458 214 H THR 33 H THR 33 -1.020 -3.380 -5.786 215 HA THR 33 HA THR 33 0.492 -5.608 -4.586 216 HB THR 33 HB THR 33 0.329 -6.088 -6.895 217 HG1 THR 33 1HG THR 33 2.385 -6.349 -7.140 218 1HG2 THR 33 1HG2 THR 33 -0.455 -4.240 -8.009 219 2HG2 THR 33 2HG2 THR 33 1.219 -4.317 -8.564 220 3HG2 THR 33 3HG2 THR 33 0.756 -3.169 -7.306 221 H CYS 34 H CYS 34 2.861 -5.203 -4.421 222 HA CYS 34 HA CYS 34 3.376 -2.369 -3.798 223 1HB CYS 34 2HB CYS 34 3.241 -3.846 -1.801 224 2HB CYS 34 1HB CYS 34 4.585 -4.785 -2.442 225 H MET 35 H MET 35 4.793 -1.466 -5.115 226 HA MET 35 HA MET 35 6.777 -3.148 -6.465 227 1HB MET 35 2HB MET 35 6.043 -0.299 -7.132 228 2HB MET 35 1HB MET 35 6.911 -1.448 -8.134 229 1HG MET 35 2HG MET 35 4.877 -2.817 -8.295 230 2HG MET 35 1HG MET 35 4.015 -1.609 -7.344 231 1HE MET 35 1HE MET 35 6.771 -0.428 -9.872 232 2HE MET 35 2HE MET 35 5.914 -0.548 -11.409 233 3HE MET 35 3HE MET 35 6.301 -2.009 -10.498 234 H PHE 36 H PHE 36 8.572 -1.107 -7.150 235 HA PHE 36 HA PHE 36 10.377 -1.108 -5.070 236 1HB PHE 36 2HB PHE 36 10.485 -0.370 -7.669 237 2HB PHE 36 1HB PHE 36 10.524 1.211 -6.902 238 HD1 PHE 36 1HD PHE 36 12.029 0.394 -4.416 239 HD2 PHE 36 2HD PHE 36 12.670 -0.454 -8.531 240 HE1 PHE 36 1HE PHE 36 14.436 0.123 -3.977 241 HE2 PHE 36 2HE PHE 36 15.078 -0.730 -8.105 242 HZ PHE 36 HZ PHE 36 15.964 -0.442 -5.825 243 H PHE 37 H PHE 37 8.762 -0.566 -3.397 244 HA PHE 37 HA PHE 37 8.125 0.783 -1.686 245 1HB PHE 37 2HB PHE 37 10.101 2.621 -3.027 246 2HB PHE 37 1HB PHE 37 9.177 3.130 -1.617 247 HD1 PHE 37 1HD PHE 37 10.897 -0.055 -2.529 248 HD2 PHE 37 2HD PHE 37 10.522 3.154 0.241 249 HE1 PHE 37 1HE PHE 37 12.546 -1.136 -1.061 250 HE2 PHE 37 2HE PHE 37 12.173 2.077 1.715 251 HZ PHE 37 HZ PHE 37 13.186 -0.073 1.063 252 H LYS 38 H LYS 38 6.628 0.559 -4.112 253 HA LYS 38 HA LYS 38 5.175 3.124 -4.032 254 1HB LYS 38 2HB LYS 38 6.074 1.488 -6.324 255 2HB LYS 38 1HB LYS 38 4.429 2.102 -6.431 256 1HG LYS 38 2HG LYS 38 5.125 4.321 -6.419 257 2HG LYS 38 1HG LYS 38 6.709 3.919 -5.753 258 1HD LYS 38 2HD LYS 38 7.462 3.035 -7.802 259 2HD LYS 38 1HD LYS 38 5.827 2.960 -8.461 260 1HE LYS 38 2HE LYS 38 5.722 5.273 -8.776 261 2HE LYS 38 1HE LYS 38 7.069 5.574 -7.680 262 1HZ LYS 38 1HZ LYS 38 7.188 4.411 -10.404 263 2HZ LYS 38 2HZ LYS 38 8.500 4.402 -9.335 264 3HZ LYS 38 3HZ LYS 38 7.859 5.871 -9.875 265 H CYS 39 H CYS 39 3.050 3.025 -3.584 266 HA CYS 39 HA CYS 39 1.901 0.365 -3.140 267 1HB CYS 39 2HB CYS 39 1.888 1.857 -1.211 268 2HB CYS 39 1HB CYS 39 1.030 3.083 -2.137 269 H LYS 40 H LYS 40 0.844 -0.379 -4.870 270 HA LYS 40 HA LYS 40 -0.969 1.474 -6.278 271 1HB LYS 40 2HB LYS 40 1.018 0.556 -7.588 272 2HB LYS 40 1HB LYS 40 0.242 -1.018 -7.475 273 1HG LYS 40 2HG LYS 40 -1.241 -0.533 -9.074 274 2HG LYS 40 1HG LYS 40 -1.524 1.094 -8.452 275 1HD LYS 40 2HD LYS 40 1.125 0.874 -9.571 276 2HD LYS 40 1HD LYS 40 -0.092 0.373 -10.747 277 1HE LYS 40 2HE LYS 40 -0.678 2.832 -9.220 278 2HE LYS 40 1HE LYS 40 0.656 2.930 -10.369 279 1HZ LYS 40 1HZ LYS 40 -0.724 2.747 -12.122 280 2HZ LYS 40 2HZ LYS 40 -1.878 3.339 -11.036 281 3HZ LYS 40 3HZ LYS 40 -1.781 1.679 -11.343 282 H CYS 41 H CYS 41 -2.960 0.526 -7.099 283 HA CYS 41 HA CYS 41 -4.044 -1.395 -5.226 284 1HB CYS 41 2HB CYS 41 -5.169 0.493 -7.250 285 2HB CYS 41 1HB CYS 41 -6.153 -0.831 -6.670 286 H ALA 42 H ALA 42 -5.934 -2.727 -6.521 287 HA ALA 42 HA ALA 42 -4.400 -4.501 -8.270 288 1HB ALA 42 1HB ALA 42 -5.704 -6.212 -7.546 289 2HB ALA 42 2HB ALA 42 -7.152 -5.212 -7.443 290 3HB ALA 42 3HB ALA 42 -5.929 -5.125 -6.176 Start of MODEL 10 1 1H ASP 1 1HT ASP 1 -11.909 10.756 -4.266 2 2H ASP 1 2HT ASP 1 -11.730 12.005 -3.104 3 3H ASP 1 3HT ASP 1 -10.521 10.798 -3.261 4 HA ASP 1 HA ASP 1 -10.273 11.578 -5.609 5 1HB ASP 1 2HB ASP 1 -12.136 13.577 -4.414 6 2HB ASP 1 1HB ASP 1 -10.901 14.172 -5.520 7 H ARG 2 H ARG 2 -10.104 12.917 -2.375 8 HA ARG 2 HA ARG 2 -7.489 14.108 -2.960 9 1HB ARG 2 2HB ARG 2 -9.590 15.093 -1.532 10 2HB ARG 2 1HB ARG 2 -8.609 14.398 -0.249 11 1HG ARG 2 2HG ARG 2 -6.722 15.747 -0.895 12 2HG ARG 2 1HG ARG 2 -7.603 16.367 -2.293 13 1HD ARG 2 2HD ARG 2 -9.174 16.791 0.050 14 2HD ARG 2 1HD ARG 2 -7.544 17.392 0.345 15 HE ARG 2 HE ARG 2 -9.491 18.459 -1.498 16 1HH1 ARG 2 1HH1 ARG 2 -6.112 18.310 -0.629 17 2HH1 ARG 2 2HH1 ARG 2 -5.715 19.795 -1.426 18 1HH2 ARG 2 1HH2 ARG 2 -8.968 20.410 -2.546 19 2HH2 ARG 2 2HH2 ARG 2 -7.336 20.987 -2.513 20 H ASP 3 H ASP 3 -7.858 11.248 -2.803 21 HA ASP 3 HA ASP 3 -6.519 10.546 -0.295 22 1HB ASP 3 2HB ASP 3 -8.359 9.190 -2.067 23 2HB ASP 3 1HB ASP 3 -6.919 8.211 -1.805 24 H SER 4 H SER 4 -6.146 8.990 -3.456 25 HA SER 4 HA SER 4 -4.289 8.337 -4.600 26 1HB SER 4 2HB SER 4 -3.339 11.059 -3.677 27 2HB SER 4 1HB SER 4 -2.559 10.095 -4.931 28 HG SER 4 HG SER 4 -4.309 10.360 -6.231 29 H CYS 5 H CYS 5 -4.157 6.788 -2.661 30 HA CYS 5 HA CYS 5 -2.245 7.147 -0.641 31 1HB CYS 5 2HB CYS 5 -4.106 5.301 -1.018 32 2HB CYS 5 1HB CYS 5 -2.761 4.414 -1.726 33 H VAL 6 H VAL 6 -1.937 6.194 -3.973 34 HA VAL 6 HA VAL 6 0.369 4.811 -4.167 35 HB VAL 6 HB VAL 6 -1.090 5.829 -6.025 36 1HG1 VAL 6 1HG1 VAL 6 -0.211 7.812 -7.122 37 2HG1 VAL 6 2HG1 VAL 6 0.982 8.003 -5.839 38 3HG1 VAL 6 3HG1 VAL 6 -0.735 8.176 -5.478 39 1HG2 VAL 6 1HG2 VAL 6 1.436 6.046 -7.266 40 2HG2 VAL 6 2HG2 VAL 6 0.350 4.659 -7.239 41 3HG2 VAL 6 3HG2 VAL 6 1.581 4.837 -5.990 42 H ASP 7 H ASP 7 0.152 8.305 -3.688 43 HA ASP 7 HA ASP 7 3.009 8.311 -2.953 44 1HB ASP 7 2HB ASP 7 1.842 9.771 -4.954 45 2HB ASP 7 1HB ASP 7 1.797 10.910 -3.611 46 H LYS 8 H LYS 8 1.026 7.604 -1.107 47 HA LYS 8 HA LYS 8 1.177 9.890 0.740 48 1HB LYS 8 2HB LYS 8 -1.155 9.267 -0.315 49 2HB LYS 8 1HB LYS 8 -1.126 7.990 0.894 50 1HG LYS 8 2HG LYS 8 -0.515 10.035 2.474 51 2HG LYS 8 1HG LYS 8 -1.400 10.917 1.228 52 1HD LYS 8 2HD LYS 8 -2.910 10.238 3.001 53 2HD LYS 8 1HD LYS 8 -3.296 9.372 1.512 54 1HE LYS 8 2HE LYS 8 -2.599 7.362 2.338 55 2HE LYS 8 1HE LYS 8 -1.395 8.094 3.398 56 1HZ LYS 8 1HZ LYS 8 -3.170 7.167 4.700 57 2HZ LYS 8 2HZ LYS 8 -4.331 8.044 3.837 58 3HZ LYS 8 3HZ LYS 8 -3.224 8.854 4.827 59 H SER 9 H SER 9 0.727 6.377 0.461 60 HA SER 9 HA SER 9 1.848 6.062 3.156 61 1HB SER 9 2HB SER 9 -0.387 4.976 2.406 62 2HB SER 9 1HB SER 9 0.640 3.828 1.546 63 HG SER 9 HG SER 9 0.081 3.161 3.696 64 H ARG 10 H ARG 10 3.556 4.624 3.554 65 HA ARG 10 HA ARG 10 5.425 4.387 1.354 66 1HB ARG 10 2HB ARG 10 5.977 5.134 3.754 67 2HB ARG 10 1HB ARG 10 5.871 3.428 4.171 68 1HG ARG 10 2HG ARG 10 7.550 3.162 2.176 69 2HG ARG 10 1HG ARG 10 7.892 4.858 2.526 70 1HD ARG 10 2HD ARG 10 7.970 2.638 4.563 71 2HD ARG 10 1HD ARG 10 9.384 3.264 3.719 72 HE ARG 10 HE ARG 10 7.791 4.670 5.739 73 1HH1 ARG 10 1HH1 ARG 10 10.585 4.597 3.634 74 2HH1 ARG 10 2HH1 ARG 10 11.373 5.908 4.440 75 1HH2 ARG 10 1HH2 ARG 10 8.833 6.393 6.786 76 2HH2 ARG 10 2HH2 ARG 10 10.382 6.929 6.226 77 H CYS 11 H CYS 11 6.458 2.425 0.762 78 HA CYS 11 HA CYS 11 5.026 -0.024 1.531 79 1HB CYS 11 2HB CYS 11 4.535 1.070 -0.845 80 2HB CYS 11 1HB CYS 11 6.021 0.233 -1.268 81 H ALA 12 H ALA 12 6.310 -2.002 0.636 82 HA ALA 12 HA ALA 12 9.027 -1.712 1.623 83 1HB ALA 12 1HB ALA 12 8.418 -3.661 2.536 84 2HB ALA 12 2HB ALA 12 8.717 -4.359 0.945 85 3HB ALA 12 3HB ALA 12 7.084 -3.875 1.403 86 H LYS 13 H LYS 13 10.454 -3.585 0.312 87 HA LYS 13 HA LYS 13 11.299 -2.301 -1.998 88 1HB LYS 13 2HB LYS 13 12.323 -4.218 -0.440 89 2HB LYS 13 1HB LYS 13 11.769 -5.215 -1.771 90 1HG LYS 13 2HG LYS 13 13.371 -4.483 -3.161 91 2HG LYS 13 1HG LYS 13 13.267 -2.825 -2.567 92 1HD LYS 13 2HD LYS 13 14.642 -5.121 -1.173 93 2HD LYS 13 1HD LYS 13 15.440 -3.818 -2.052 94 1HE LYS 13 2HE LYS 13 13.807 -2.479 -0.283 95 2HE LYS 13 1HE LYS 13 14.368 -3.864 0.654 96 1HZ LYS 13 1HZ LYS 13 16.209 -2.104 -0.861 97 2HZ LYS 13 2HZ LYS 13 16.602 -3.244 0.327 98 3HZ LYS 13 3HZ LYS 13 15.795 -1.821 0.756 99 H TYR 14 H TYR 14 9.149 -5.101 -1.636 100 HA TYR 14 HA TYR 14 7.560 -4.549 -3.823 101 1HB TYR 14 2HB TYR 14 8.537 -6.577 -5.270 102 2HB TYR 14 1HB TYR 14 9.052 -4.912 -5.511 103 HD1 TYR 14 1HD TYR 14 10.048 -7.184 -2.742 104 HD2 TYR 14 2HD TYR 14 11.236 -5.206 -6.315 105 HE1 TYR 14 1HE TYR 14 12.379 -7.847 -2.327 106 HE2 TYR 14 2HE TYR 14 13.569 -5.865 -5.912 107 HH TYR 14 HH TYR 14 14.690 -7.914 -4.520 108 H GLY 15 H GLY 15 6.027 -6.220 -4.320 109 1HA GLY 15 2HA GLY 15 5.365 -8.567 -3.967 110 2HA GLY 15 1HA GLY 15 6.078 -8.440 -2.367 111 H TYR 16 H TYR 16 4.397 -8.755 -1.043 112 HA TYR 16 HA TYR 16 1.954 -7.182 -1.491 113 1HB TYR 16 2HB TYR 16 1.812 -9.707 -1.339 114 2HB TYR 16 1HB TYR 16 2.271 -9.552 0.353 115 HD1 TYR 16 1HD TYR 16 0.773 -8.033 1.822 116 HD2 TYR 16 2HD TYR 16 -0.429 -9.596 -1.947 117 HE1 TYR 16 1HE TYR 16 -1.582 -7.675 2.433 118 HE2 TYR 16 2HE TYR 16 -2.787 -9.242 -1.349 119 HH TYR 16 HH TYR 16 -4.007 -7.520 0.390 120 H TYR 17 H TYR 17 1.493 -5.553 -0.175 121 HA TYR 17 HA TYR 17 2.813 -5.447 2.457 122 1HB TYR 17 2HB TYR 17 3.512 -3.782 0.512 123 2HB TYR 17 1HB TYR 17 2.069 -2.925 1.040 124 HD1 TYR 17 1HD TYR 17 2.880 -1.011 2.098 125 HD2 TYR 17 2HD TYR 17 4.568 -4.792 3.077 126 HE1 TYR 17 1HE TYR 17 4.170 0.041 3.910 127 HE2 TYR 17 2HE TYR 17 5.859 -3.752 4.893 128 HH TYR 17 HH TYR 17 6.142 -0.354 5.235 129 H GLN 18 H GLN 18 1.323 -5.746 3.971 130 HA GLN 18 HA GLN 18 -1.412 -5.645 3.690 131 1HB GLN 18 2HB GLN 18 0.221 -6.384 5.683 132 2HB GLN 18 1HB GLN 18 -0.332 -4.848 6.335 133 1HG GLN 18 2HG GLN 18 -1.997 -6.077 7.179 134 2HG GLN 18 1HG GLN 18 -2.681 -5.928 5.560 135 1HE2 GLN 18 1HE2 GLN 18 -1.960 -8.050 7.954 136 2HE2 GLN 18 2HE2 GLN 18 -1.872 -9.510 7.035 137 H GLU 19 H GLU 19 0.797 -3.016 4.181 138 HA GLU 19 HA GLU 19 -1.109 -1.114 5.105 139 1HB GLU 19 2HB GLU 19 1.596 -1.153 4.975 140 2HB GLU 19 1HB GLU 19 1.233 -0.132 3.591 141 1HG GLU 19 2HG GLU 19 0.607 1.591 4.869 142 2HG GLU 19 1HG GLU 19 -0.249 0.561 6.017 143 H CYS 20 H CYS 20 0.159 -1.985 1.925 144 HA CYS 20 HA CYS 20 -1.197 0.084 0.520 145 1HB CYS 20 2HB CYS 20 0.793 -1.686 -0.107 146 2HB CYS 20 1HB CYS 20 -0.570 -2.356 -0.995 147 H GLN 21 H GLN 21 -1.868 -3.386 0.974 148 HA GLN 21 HA GLN 21 -4.232 -3.438 -0.541 149 1HB GLN 21 2HB GLN 21 -4.725 -5.542 0.597 150 2HB GLN 21 1HB GLN 21 -3.042 -5.475 0.093 151 1HG GLN 21 2HG GLN 21 -2.389 -5.874 2.142 152 2HG GLN 21 1HG GLN 21 -3.221 -4.436 2.722 153 1HE2 GLN 21 1HE2 GLN 21 -5.623 -4.738 3.022 154 2HE2 GLN 21 2HE2 GLN 21 -6.133 -6.217 3.755 155 H ASP 22 H ASP 22 -3.588 -2.521 2.769 156 HA ASP 22 HA ASP 22 -6.288 -2.536 3.656 157 1HB ASP 22 2HB ASP 22 -3.689 -1.590 4.698 158 2HB ASP 22 1HB ASP 22 -5.102 -0.733 5.303 159 H CYS 23 H CYS 23 -4.144 -0.005 2.405 160 HA CYS 23 HA CYS 23 -5.854 2.174 2.702 161 1HB CYS 23 2HB CYS 23 -3.339 1.903 1.863 162 2HB CYS 23 1HB CYS 23 -4.130 2.047 0.305 163 H CYS 24 H CYS 24 -5.234 0.340 -0.283 164 HA CYS 24 HA CYS 24 -7.173 1.463 -1.881 165 1HB CYS 24 2HB CYS 24 -5.348 -0.245 -2.465 166 2HB CYS 24 1HB CYS 24 -6.512 -1.471 -1.983 167 H LYS 25 H LYS 25 -7.515 -1.561 -0.012 168 HA LYS 25 HA LYS 25 -10.155 -2.116 -0.533 169 1HB LYS 25 2HB LYS 25 -8.821 -3.695 0.667 170 2HB LYS 25 1HB LYS 25 -8.531 -2.554 1.972 171 1HG LYS 25 2HG LYS 25 -11.332 -3.361 1.380 172 2HG LYS 25 1HG LYS 25 -10.274 -4.493 2.225 173 1HD LYS 25 2HD LYS 25 -10.145 -1.766 3.268 174 2HD LYS 25 1HD LYS 25 -11.743 -2.501 3.404 175 1HE LYS 25 2HE LYS 25 -10.791 -3.205 5.365 176 2HE LYS 25 1HE LYS 25 -10.376 -4.551 4.304 177 1HZ LYS 25 1HZ LYS 25 -8.478 -2.340 4.442 178 2HZ LYS 25 2HZ LYS 25 -8.195 -4.002 4.307 179 3HZ LYS 25 3HZ LYS 25 -8.593 -3.331 5.808 180 H ASN 26 H ASN 26 -8.822 0.132 1.840 181 HA ASN 26 HA ASN 26 -11.308 0.751 3.074 182 1HB ASN 26 2HB ASN 26 -8.647 1.299 3.601 183 2HB ASN 26 1HB ASN 26 -9.307 2.875 3.186 184 1HD2 ASN 26 1HD2 ASN 26 -8.984 0.526 5.575 185 2HD2 ASN 26 2HD2 ASN 26 -10.058 1.208 6.743 186 H ALA 27 H ALA 27 -9.695 1.847 0.211 187 HA ALA 27 HA ALA 27 -11.149 4.302 -0.053 188 1HB ALA 27 1HB ALA 27 -9.846 4.694 -1.856 189 2HB ALA 27 2HB ALA 27 -10.023 3.053 -2.478 190 3HB ALA 27 3HB ALA 27 -8.881 3.384 -1.176 191 H GLY 28 H GLY 28 -11.603 0.990 -1.055 192 1HA GLY 28 2HA GLY 28 -14.116 0.564 -1.266 193 2HA GLY 28 1HA GLY 28 -14.010 1.762 -2.543 194 H HIS 29 H HIS 29 -11.581 -0.696 -1.875 195 HA HIS 29 HA HIS 29 -12.435 -2.175 -4.254 196 1HB HIS 29 2HB HIS 29 -9.582 -1.307 -3.754 197 2HB HIS 29 1HB HIS 29 -10.167 -2.233 -5.132 198 HD1 HIS 29 1HD HIS 29 -12.384 -0.727 -6.273 199 HD2 HIS 29 2HD HIS 29 -9.136 1.225 -4.570 200 HE1 HIS 29 1HE HIS 29 -12.385 1.579 -7.274 201 HE2 HIS 29 2HE HIS 29 -10.358 2.711 -6.297 202 H ASN 30 H ASN 30 -9.931 -3.777 -4.136 203 HA ASN 30 HA ASN 30 -10.681 -5.435 -1.836 204 1HB ASN 30 2HB ASN 30 -10.396 -6.103 -4.497 205 2HB ASN 30 1HB ASN 30 -8.869 -6.634 -3.799 206 1HD2 ASN 30 1HD2 ASN 30 -8.817 -8.478 -2.689 207 2HD2 ASN 30 2HD2 ASN 30 -10.201 -9.425 -2.270 208 H GLY 31 H GLY 31 -7.789 -4.354 -3.628 209 1HA GLY 31 2HA GLY 31 -6.346 -3.764 -1.265 210 2HA GLY 31 1HA GLY 31 -5.868 -5.341 -1.875 211 H GLY 32 H GLY 32 -3.754 -4.495 -2.207 212 1HA GLY 32 2HA GLY 32 -3.469 -3.316 -4.839 213 2HA GLY 32 1HA GLY 32 -2.868 -2.329 -3.517 214 H THR 33 H THR 33 -1.110 -3.012 -5.405 215 HA THR 33 HA THR 33 0.433 -5.240 -4.252 216 HB THR 33 HB THR 33 -0.150 -5.619 -6.585 217 HG1 THR 33 1HG THR 33 1.785 -6.319 -7.020 218 1HG2 THR 33 1HG2 THR 33 1.158 -4.048 -8.236 219 2HG2 THR 33 2HG2 THR 33 0.888 -2.866 -6.957 220 3HG2 THR 33 3HG2 THR 33 -0.484 -3.675 -7.714 221 H CYS 34 H CYS 34 2.829 -4.970 -4.431 222 HA CYS 34 HA CYS 34 3.580 -2.178 -3.863 223 1HB CYS 34 2HB CYS 34 3.656 -3.912 -1.965 224 2HB CYS 34 1HB CYS 34 5.048 -4.580 -2.806 225 H MET 35 H MET 35 4.931 -1.291 -5.271 226 HA MET 35 HA MET 35 6.793 -3.039 -6.739 227 1HB MET 35 2HB MET 35 4.859 -1.028 -7.758 228 2HB MET 35 1HB MET 35 6.428 -1.101 -8.548 229 1HG MET 35 2HG MET 35 5.257 -3.729 -8.171 230 2HG MET 35 1HG MET 35 4.228 -2.656 -9.119 231 1HE MET 35 1HE MET 35 5.957 -1.196 -11.583 232 2HE MET 35 2HE MET 35 4.420 -1.934 -11.134 233 3HE MET 35 3HE MET 35 5.406 -2.655 -12.406 234 H PHE 36 H PHE 36 8.673 -2.552 -5.721 235 HA PHE 36 HA PHE 36 10.406 -1.343 -4.845 236 1HB PHE 36 2HB PHE 36 10.838 -1.264 -7.240 237 2HB PHE 36 1HB PHE 36 9.850 0.181 -7.387 238 HD1 PHE 36 1HD PHE 36 12.971 -1.170 -5.992 239 HD2 PHE 36 2HD PHE 36 10.741 2.327 -6.924 240 HE1 PHE 36 1HE PHE 36 14.968 0.206 -5.575 241 HE2 PHE 36 2HE PHE 36 12.733 3.714 -6.511 242 HZ PHE 36 HZ PHE 36 14.850 2.653 -5.836 243 H PHE 37 H PHE 37 9.061 -0.578 -3.038 244 HA PHE 37 HA PHE 37 8.318 1.022 -1.614 245 1HB PHE 37 2HB PHE 37 10.023 2.938 -3.201 246 2HB PHE 37 1HB PHE 37 9.618 3.012 -1.488 247 HD1 PHE 37 1HD PHE 37 10.081 -0.015 -1.029 248 HD2 PHE 37 2HD PHE 37 12.399 3.043 -2.868 249 HE1 PHE 37 1HE PHE 37 12.134 -1.254 -0.487 250 HE2 PHE 37 2HE PHE 37 14.459 1.806 -2.333 251 HZ PHE 37 HZ PHE 37 14.325 -0.349 -1.142 252 H LYS 38 H LYS 38 6.953 0.700 -4.329 253 HA LYS 38 HA LYS 38 5.541 3.285 -4.316 254 1HB LYS 38 2HB LYS 38 6.797 2.303 -6.451 255 2HB LYS 38 1HB LYS 38 5.286 1.421 -6.628 256 1HG LYS 38 2HG LYS 38 4.285 3.856 -6.249 257 2HG LYS 38 1HG LYS 38 5.850 4.307 -6.930 258 1HD LYS 38 2HD LYS 38 5.309 2.569 -8.756 259 2HD LYS 38 1HD LYS 38 3.650 2.687 -8.167 260 1HE LYS 38 2HE LYS 38 5.277 5.081 -8.988 261 2HE LYS 38 1HE LYS 38 4.252 4.187 -10.110 262 1HZ LYS 38 1HZ LYS 38 2.346 4.683 -8.730 263 2HZ LYS 38 2HZ LYS 38 3.121 6.118 -9.177 264 3HZ LYS 38 3HZ LYS 38 3.319 5.502 -7.615 265 H CYS 39 H CYS 39 3.392 3.288 -3.936 266 HA CYS 39 HA CYS 39 2.165 0.693 -3.331 267 1HB CYS 39 2HB CYS 39 2.246 3.102 -1.912 268 2HB CYS 39 1HB CYS 39 0.599 2.997 -2.524 269 H LYS 40 H LYS 40 0.667 -0.120 -4.625 270 HA LYS 40 HA LYS 40 -0.981 1.712 -6.224 271 1HB LYS 40 2HB LYS 40 1.071 0.377 -7.387 272 2HB LYS 40 1HB LYS 40 -0.207 -0.820 -7.550 273 1HG LYS 40 2HG LYS 40 -0.095 0.549 -9.530 274 2HG LYS 40 1HG LYS 40 -1.609 0.852 -8.676 275 1HD LYS 40 2HD LYS 40 0.132 2.702 -7.587 276 2HD LYS 40 1HD LYS 40 0.583 2.665 -9.293 277 1HE LYS 40 2HE LYS 40 -2.308 2.725 -8.768 278 2HE LYS 40 1HE LYS 40 -1.429 4.166 -8.261 279 1HZ LYS 40 1HZ LYS 40 -1.900 3.124 -10.943 280 2HZ LYS 40 2HZ LYS 40 -0.401 3.854 -10.664 281 3HZ LYS 40 3HZ LYS 40 -1.826 4.726 -10.402 282 H CYS 41 H CYS 41 -2.913 0.523 -7.174 283 HA CYS 41 HA CYS 41 -4.024 -1.167 -5.087 284 1HB CYS 41 2HB CYS 41 -5.126 0.521 -7.269 285 2HB CYS 41 1HB CYS 41 -6.087 -0.831 -6.725 286 H ALA 42 H ALA 42 -5.849 -2.662 -6.268 287 HA ALA 42 HA ALA 42 -4.341 -4.385 -8.129 288 1HB ALA 42 1HB ALA 42 -4.978 -5.084 -5.613 289 2HB ALA 42 2HB ALA 42 -4.841 -6.238 -6.940 290 3HB ALA 42 3HB ALA 42 -6.426 -5.633 -6.457 Start of MODEL 11 1 1H ASP 1 1HT ASP 1 -10.971 15.949 -3.732 2 2H ASP 1 2HT ASP 1 -9.471 15.477 -3.045 3 3H ASP 1 3HT ASP 1 -10.234 14.478 -4.213 4 HA ASP 1 HA ASP 1 -10.052 16.412 -5.759 5 1HB ASP 1 2HB ASP 1 -8.558 17.322 -3.354 6 2HB ASP 1 1HB ASP 1 -7.848 17.698 -4.921 7 H ARG 2 H ARG 2 -7.484 14.986 -3.736 8 HA ARG 2 HA ARG 2 -6.622 13.301 -5.899 9 1HB ARG 2 2HB ARG 2 -4.224 14.216 -5.692 10 2HB ARG 2 1HB ARG 2 -5.372 15.118 -6.669 11 1HG ARG 2 2HG ARG 2 -5.570 16.816 -5.094 12 2HG ARG 2 1HG ARG 2 -4.936 15.808 -3.790 13 1HD ARG 2 2HD ARG 2 -3.243 16.528 -6.158 14 2HD ARG 2 1HD ARG 2 -3.418 17.634 -4.796 15 HE ARG 2 HE ARG 2 -2.708 15.042 -3.899 16 1HH1 ARG 2 1HH1 ARG 2 -1.381 17.875 -5.446 17 2HH1 ARG 2 2HH1 ARG 2 0.227 17.587 -4.872 18 1HH2 ARG 2 1HH2 ARG 2 -0.593 14.663 -3.143 19 2HH2 ARG 2 2HH2 ARG 2 0.675 15.764 -3.565 20 H ASP 3 H ASP 3 -6.828 11.537 -4.602 21 HA ASP 3 HA ASP 3 -5.550 11.515 -1.990 22 1HB ASP 3 2HB ASP 3 -6.551 8.965 -2.427 23 2HB ASP 3 1HB ASP 3 -7.348 10.253 -1.537 24 H SER 4 H SER 4 -5.694 8.854 -4.326 25 HA SER 4 HA SER 4 -4.106 7.378 -5.024 26 1HB SER 4 2HB SER 4 -2.525 9.954 -5.113 27 2HB SER 4 1HB SER 4 -1.944 8.429 -5.782 28 HG SER 4 HG SER 4 -4.434 9.547 -6.521 29 H CYS 5 H CYS 5 -3.769 6.011 -3.329 30 HA CYS 5 HA CYS 5 -2.356 6.656 -0.977 31 1HB CYS 5 2HB CYS 5 -3.092 4.039 -2.273 32 2HB CYS 5 1HB CYS 5 -2.178 4.102 -0.771 33 H VAL 6 H VAL 6 -1.262 5.969 -4.135 34 HA VAL 6 HA VAL 6 1.133 4.662 -3.796 35 HB VAL 6 HB VAL 6 0.784 6.985 -5.656 36 1HG1 VAL 6 1HG1 VAL 6 3.000 5.531 -5.208 37 2HG1 VAL 6 2HG1 VAL 6 2.604 6.254 -6.767 38 3HG1 VAL 6 3HG1 VAL 6 2.235 4.556 -6.464 39 1HG2 VAL 6 1HG2 VAL 6 0.255 4.495 -6.935 40 2HG2 VAL 6 2HG2 VAL 6 -0.800 5.899 -6.769 41 3HG2 VAL 6 3HG2 VAL 6 -0.796 4.647 -5.528 42 H ASP 7 H ASP 7 0.435 8.089 -3.324 43 HA ASP 7 HA ASP 7 3.186 8.522 -2.407 44 1HB ASP 7 2HB ASP 7 1.394 10.091 -3.922 45 2HB ASP 7 1HB ASP 7 1.575 10.910 -2.374 46 H LYS 8 H LYS 8 -0.112 8.407 -1.312 47 HA LYS 8 HA LYS 8 0.220 9.748 1.152 48 1HB LYS 8 2HB LYS 8 -1.919 8.800 -0.198 49 2HB LYS 8 1HB LYS 8 -1.750 7.544 1.021 50 1HG LYS 8 2HG LYS 8 -1.684 9.463 2.715 51 2HG LYS 8 1HG LYS 8 -2.304 10.462 1.400 52 1HD LYS 8 2HD LYS 8 -3.689 7.893 1.883 53 2HD LYS 8 1HD LYS 8 -3.890 9.144 3.111 54 1HE LYS 8 2HE LYS 8 -4.176 10.062 0.333 55 2HE LYS 8 1HE LYS 8 -5.410 8.925 0.874 56 1HZ LYS 8 1HZ LYS 8 -4.919 11.663 1.705 57 2HZ LYS 8 2HZ LYS 8 -5.330 10.588 2.945 58 3HZ LYS 8 3HZ LYS 8 -6.371 10.796 1.628 59 H SER 9 H SER 9 -0.195 6.241 0.622 60 HA SER 9 HA SER 9 1.184 5.739 3.145 61 1HB SER 9 2HB SER 9 -1.038 4.617 2.375 62 2HB SER 9 1HB SER 9 0.013 3.592 1.399 63 HG SER 9 HG SER 9 1.176 3.237 3.467 64 H ARG 10 H ARG 10 3.033 4.493 3.335 65 HA ARG 10 HA ARG 10 4.712 4.424 0.968 66 1HB ARG 10 2HB ARG 10 5.526 5.327 3.153 67 2HB ARG 10 1HB ARG 10 5.399 3.704 3.821 68 1HG ARG 10 2HG ARG 10 7.132 2.895 2.482 69 2HG ARG 10 1HG ARG 10 7.061 4.286 1.400 70 1HD ARG 10 2HD ARG 10 7.569 5.475 3.799 71 2HD ARG 10 1HD ARG 10 8.444 3.954 3.965 72 HE ARG 10 HE ARG 10 9.213 4.837 1.531 73 1HH1 ARG 10 1HH1 ARG 10 9.142 6.328 4.686 74 2HH1 ARG 10 2HH1 ARG 10 10.502 7.353 4.369 75 1HH2 ARG 10 1HH2 ARG 10 11.003 6.181 1.115 76 2HH2 ARG 10 2HH2 ARG 10 11.559 7.269 2.341 77 H CYS 11 H CYS 11 6.130 2.484 0.642 78 HA CYS 11 HA CYS 11 4.888 -0.035 1.452 79 1HB CYS 11 2HB CYS 11 4.108 0.882 -0.891 80 2HB CYS 11 1HB CYS 11 5.669 0.268 -1.419 81 H ALA 12 H ALA 12 6.266 -1.932 0.726 82 HA ALA 12 HA ALA 12 9.030 -1.327 1.392 83 1HB ALA 12 1HB ALA 12 8.794 -4.077 1.021 84 2HB ALA 12 2HB ALA 12 7.251 -3.580 1.713 85 3HB ALA 12 3HB ALA 12 8.755 -3.206 2.553 86 H LYS 13 H LYS 13 10.424 -3.335 0.172 87 HA LYS 13 HA LYS 13 11.179 -2.321 -2.248 88 1HB LYS 13 2HB LYS 13 12.155 -4.238 -0.739 89 2HB LYS 13 1HB LYS 13 11.279 -5.276 -1.848 90 1HG LYS 13 2HG LYS 13 12.672 -4.838 -3.584 91 2HG LYS 13 1HG LYS 13 13.020 -3.198 -3.031 92 1HD LYS 13 2HD LYS 13 15.024 -4.365 -2.701 93 2HD LYS 13 1HD LYS 13 14.281 -4.306 -1.103 94 1HE LYS 13 2HE LYS 13 14.325 -6.521 -0.986 95 2HE LYS 13 1HE LYS 13 13.337 -6.632 -2.441 96 1HZ LYS 13 1HZ LYS 13 15.101 -7.153 -3.692 97 2HZ LYS 13 2HZ LYS 13 15.841 -7.567 -2.228 98 3HZ LYS 13 3HZ LYS 13 16.127 -6.051 -2.920 99 H TYR 14 H TYR 14 9.108 -5.211 -1.879 100 HA TYR 14 HA TYR 14 7.231 -4.443 -3.801 101 1HB TYR 14 2HB TYR 14 7.978 -6.293 -5.516 102 2HB TYR 14 1HB TYR 14 8.642 -4.668 -5.609 103 HD1 TYR 14 1HD TYR 14 9.512 -7.538 -3.381 104 HD2 TYR 14 2HD TYR 14 10.798 -4.860 -6.424 105 HE1 TYR 14 1HE TYR 14 11.782 -8.466 -3.228 106 HE2 TYR 14 2HE TYR 14 13.073 -5.780 -6.280 107 HH TYR 14 HH TYR 14 14.100 -8.040 -5.520 108 H GLY 15 H GLY 15 5.742 -6.214 -4.400 109 1HA GLY 15 2HA GLY 15 5.102 -8.548 -4.050 110 2HA GLY 15 1HA GLY 15 5.924 -8.472 -2.500 111 H TYR 16 H TYR 16 4.410 -8.746 -1.004 112 HA TYR 16 HA TYR 16 1.881 -7.267 -1.276 113 1HB TYR 16 2HB TYR 16 1.884 -9.815 -1.032 114 2HB TYR 16 1HB TYR 16 2.391 -9.546 0.632 115 HD1 TYR 16 1HD TYR 16 0.871 -7.850 1.980 116 HD2 TYR 16 2HD TYR 16 -0.375 -9.991 -1.479 117 HE1 TYR 16 1HE TYR 16 -1.477 -7.553 2.648 118 HE2 TYR 16 2HE TYR 16 -2.726 -9.699 -0.821 119 HH TYR 16 HH TYR 16 -3.982 -9.302 1.397 120 H TYR 17 H TYR 17 1.282 -5.787 0.196 121 HA TYR 17 HA TYR 17 2.784 -5.568 2.699 122 1HB TYR 17 2HB TYR 17 3.708 -4.026 0.866 123 2HB TYR 17 1HB TYR 17 2.203 -3.129 1.024 124 HD1 TYR 17 1HD TYR 17 2.969 -1.081 1.883 125 HD2 TYR 17 2HD TYR 17 4.159 -4.710 3.761 126 HE1 TYR 17 1HE TYR 17 3.933 0.205 3.745 127 HE2 TYR 17 2HE TYR 17 5.123 -3.433 5.628 128 HH TYR 17 HH TYR 17 6.083 -0.822 5.772 129 H GLN 18 H GLN 18 1.260 -5.827 4.191 130 HA GLN 18 HA GLN 18 -1.450 -5.590 3.958 131 1HB GLN 18 2HB GLN 18 0.144 -6.341 5.953 132 2HB GLN 18 1HB GLN 18 -0.265 -4.739 6.552 133 1HG GLN 18 2HG GLN 18 -2.105 -5.617 7.408 134 2HG GLN 18 1HG GLN 18 -2.693 -5.837 5.760 135 1HE2 GLN 18 1HE2 GLN 18 -2.856 -7.403 8.377 136 2HE2 GLN 18 2HE2 GLN 18 -2.460 -9.018 7.908 137 H GLU 19 H GLU 19 0.853 -3.013 4.457 138 HA GLU 19 HA GLU 19 -0.990 -1.029 5.284 139 1HB GLU 19 2HB GLU 19 1.786 -1.199 4.856 140 2HB GLU 19 1HB GLU 19 1.218 0.087 3.800 141 1HG GLU 19 2HG GLU 19 0.045 1.052 5.813 142 2HG GLU 19 1HG GLU 19 0.945 -0.113 6.783 143 H CYS 20 H CYS 20 0.318 -1.915 2.110 144 HA CYS 20 HA CYS 20 -1.037 0.117 0.674 145 1HB CYS 20 2HB CYS 20 0.933 -1.662 0.065 146 2HB CYS 20 1HB CYS 20 -0.436 -2.376 -0.779 147 H GLN 21 H GLN 21 -1.724 -3.369 1.034 148 HA GLN 21 HA GLN 21 -4.092 -3.404 -0.432 149 1HB GLN 21 2HB GLN 21 -4.596 -5.497 0.683 150 2HB GLN 21 1HB GLN 21 -2.888 -5.428 0.273 151 1HG GLN 21 2HG GLN 21 -2.323 -5.757 2.364 152 2HG GLN 21 1HG GLN 21 -3.273 -4.374 2.894 153 1HE2 GLN 21 1HE2 GLN 21 -5.775 -4.979 2.652 154 2HE2 GLN 21 2HE2 GLN 21 -6.205 -6.430 3.485 155 H ASP 22 H ASP 22 -3.468 -2.394 2.846 156 HA ASP 22 HA ASP 22 -6.191 -2.381 3.698 157 1HB ASP 22 2HB ASP 22 -3.608 -1.353 4.770 158 2HB ASP 22 1HB ASP 22 -5.092 -0.652 5.406 159 H CYS 23 H CYS 23 -3.990 0.040 2.363 160 HA CYS 23 HA CYS 23 -5.627 2.288 2.637 161 1HB CYS 23 2HB CYS 23 -3.124 1.919 1.786 162 2HB CYS 23 1HB CYS 23 -3.925 2.056 0.233 163 H CYS 24 H CYS 24 -5.084 0.343 -0.292 164 HA CYS 24 HA CYS 24 -7.028 1.490 -1.890 165 1HB CYS 24 2HB CYS 24 -5.198 -0.256 -2.440 166 2HB CYS 24 1HB CYS 24 -6.414 -1.448 -2.003 167 H LYS 25 H LYS 25 -7.334 -1.494 0.043 168 HA LYS 25 HA LYS 25 -9.964 -2.109 -0.425 169 1HB LYS 25 2HB LYS 25 -8.581 -3.579 0.878 170 2HB LYS 25 1HB LYS 25 -8.359 -2.358 2.122 171 1HG LYS 25 2HG LYS 25 -11.113 -3.310 1.507 172 2HG LYS 25 1HG LYS 25 -10.037 -4.331 2.463 173 1HD LYS 25 2HD LYS 25 -10.016 -1.556 3.338 174 2HD LYS 25 1HD LYS 25 -11.621 -2.280 3.420 175 1HE LYS 25 2HE LYS 25 -10.991 -3.159 5.368 176 2HE LYS 25 1HE LYS 25 -9.956 -4.242 4.438 177 1HZ LYS 25 1HZ LYS 25 -8.465 -1.994 4.623 178 2HZ LYS 25 2HZ LYS 25 -8.314 -3.345 5.629 179 3HZ LYS 25 3HZ LYS 25 -9.244 -2.022 6.125 180 H ASN 26 H ASN 26 -8.667 0.225 1.897 181 HA ASN 26 HA ASN 26 -11.164 0.918 3.049 182 1HB ASN 26 2HB ASN 26 -8.516 1.487 3.595 183 2HB ASN 26 1HB ASN 26 -9.150 3.041 3.068 184 1HD2 ASN 26 1HD2 ASN 26 -8.695 1.071 5.662 185 2HD2 ASN 26 2HD2 ASN 26 -9.863 1.745 6.742 186 H ALA 27 H ALA 27 -9.480 1.906 0.175 187 HA ALA 27 HA ALA 27 -10.891 4.341 -0.254 188 1HB ALA 27 1HB ALA 27 -9.672 2.689 -2.443 189 2HB ALA 27 2HB ALA 27 -8.672 3.580 -1.294 190 3HB ALA 27 3HB ALA 27 -9.814 4.442 -2.326 191 H GLY 28 H GLY 28 -11.470 0.982 -1.059 192 1HA GLY 28 2HA GLY 28 -14.055 0.738 -1.182 193 2HA GLY 28 1HA GLY 28 -13.837 1.734 -2.609 194 H HIS 29 H HIS 29 -11.122 0.014 -2.659 195 HA HIS 29 HA HIS 29 -12.280 -1.968 -4.459 196 1HB HIS 29 2HB HIS 29 -9.363 -1.314 -4.037 197 2HB HIS 29 1HB HIS 29 -10.070 -2.211 -5.377 198 HD1 HIS 29 1HD HIS 29 -11.881 -0.669 -6.818 199 HD2 HIS 29 2HD HIS 29 -8.945 1.294 -4.628 200 HE1 HIS 29 1HE HIS 29 -11.741 1.641 -7.800 201 HE2 HIS 29 2HE HIS 29 -9.906 2.787 -6.508 202 H ASN 30 H ASN 30 -9.763 -3.624 -4.130 203 HA ASN 30 HA ASN 30 -10.653 -5.069 -1.731 204 1HB ASN 30 2HB ASN 30 -9.955 -5.920 -4.429 205 2HB ASN 30 1HB ASN 30 -9.068 -6.818 -3.201 206 1HD2 ASN 30 1HD2 ASN 30 -10.349 -7.797 -1.474 207 2HD2 ASN 30 2HD2 ASN 30 -11.926 -8.393 -1.850 208 H GLY 31 H GLY 31 -7.742 -4.160 -3.570 209 1HA GLY 31 2HA GLY 31 -6.256 -3.566 -1.248 210 2HA GLY 31 1HA GLY 31 -5.843 -5.184 -1.797 211 H GLY 32 H GLY 32 -3.699 -4.407 -2.158 212 1HA GLY 32 2HA GLY 32 -3.378 -3.374 -4.847 213 2HA GLY 32 1HA GLY 32 -2.756 -2.333 -3.578 214 H THR 33 H THR 33 -0.951 -3.075 -5.334 215 HA THR 33 HA THR 33 0.526 -5.272 -4.039 216 HB THR 33 HB THR 33 -0.011 -5.979 -6.249 217 HG1 THR 33 1HG THR 33 2.611 -4.922 -6.398 218 1HG2 THR 33 1HG2 THR 33 -0.478 -4.530 -7.848 219 2HG2 THR 33 2HG2 THR 33 1.249 -4.200 -7.990 220 3HG2 THR 33 3HG2 THR 33 0.245 -3.209 -6.931 221 H CYS 34 H CYS 34 2.894 -5.075 -4.155 222 HA CYS 34 HA CYS 34 3.702 -2.280 -3.762 223 1HB CYS 34 2HB CYS 34 3.997 -4.246 -2.018 224 2HB CYS 34 1HB CYS 34 5.433 -4.581 -2.975 225 H MET 35 H MET 35 5.024 -1.320 -5.173 226 HA MET 35 HA MET 35 6.695 -3.003 -6.906 227 1HB MET 35 2HB MET 35 4.687 -0.941 -7.682 228 2HB MET 35 1HB MET 35 6.151 -1.081 -8.645 229 1HG MET 35 2HG MET 35 5.652 -3.478 -8.978 230 2HG MET 35 1HG MET 35 4.138 -3.250 -8.106 231 1HE MET 35 1HE MET 35 6.371 -2.271 -10.868 232 2HE MET 35 2HE MET 35 5.376 -1.513 -12.112 233 3HE MET 35 3HE MET 35 5.408 -3.270 -11.956 234 H PHE 36 H PHE 36 8.588 -2.499 -5.838 235 HA PHE 36 HA PHE 36 10.389 -1.292 -5.150 236 1HB PHE 36 2HB PHE 36 10.712 -1.151 -7.535 237 2HB PHE 36 1HB PHE 36 9.605 0.205 -7.645 238 HD1 PHE 36 1HD PHE 36 12.778 -0.803 -6.028 239 HD2 PHE 36 2HD PHE 36 10.452 2.360 -7.649 240 HE1 PHE 36 1HE PHE 36 14.681 0.732 -5.737 241 HE2 PHE 36 2HE PHE 36 12.345 3.907 -7.364 242 HZ PHE 36 HZ PHE 36 14.465 3.094 -6.407 243 H PHE 37 H PHE 37 8.789 -0.633 -3.344 244 HA PHE 37 HA PHE 37 8.179 0.928 -1.820 245 1HB PHE 37 2HB PHE 37 9.914 2.848 -3.378 246 2HB PHE 37 1HB PHE 37 9.475 2.940 -1.674 247 HD1 PHE 37 1HD PHE 37 9.861 -0.011 -1.066 248 HD2 PHE 37 2HD PHE 37 12.281 2.821 -3.117 249 HE1 PHE 37 1HE PHE 37 11.865 -1.304 -0.470 250 HE2 PHE 37 2HE PHE 37 14.294 1.530 -2.529 251 HZ PHE 37 HZ PHE 37 14.084 -0.541 -1.205 252 H LYS 38 H LYS 38 6.848 0.753 -4.605 253 HA LYS 38 HA LYS 38 5.421 3.326 -4.450 254 1HB LYS 38 2HB LYS 38 5.496 1.430 -6.804 255 2HB LYS 38 1HB LYS 38 4.792 3.039 -6.766 256 1HG LYS 38 2HG LYS 38 7.073 3.950 -6.335 257 2HG LYS 38 1HG LYS 38 7.709 2.326 -6.598 258 1HD LYS 38 2HD LYS 38 7.404 2.429 -8.835 259 2HD LYS 38 1HD LYS 38 5.899 3.341 -8.691 260 1HE LYS 38 2HE LYS 38 6.947 5.340 -8.797 261 2HE LYS 38 1HE LYS 38 8.349 4.772 -7.892 262 1HZ LYS 38 1HZ LYS 38 8.611 3.406 -10.171 263 2HZ LYS 38 2HZ LYS 38 9.338 4.905 -9.886 264 3HZ LYS 38 3HZ LYS 38 7.887 4.820 -10.751 265 H CYS 39 H CYS 39 3.390 3.275 -3.743 266 HA CYS 39 HA CYS 39 2.150 0.696 -3.251 267 1HB CYS 39 2HB CYS 39 2.177 3.150 -1.897 268 2HB CYS 39 1HB CYS 39 0.529 2.967 -2.485 269 H LYS 40 H LYS 40 1.030 -0.183 -4.846 270 HA LYS 40 HA LYS 40 -0.743 1.553 -6.437 271 1HB LYS 40 2HB LYS 40 1.311 0.060 -7.427 272 2HB LYS 40 1HB LYS 40 -0.024 -1.077 -7.566 273 1HG LYS 40 2HG LYS 40 -1.150 1.169 -8.584 274 2HG LYS 40 1HG LYS 40 0.534 1.380 -9.067 275 1HD LYS 40 2HD LYS 40 -0.007 0.082 -10.814 276 2HD LYS 40 1HD LYS 40 0.097 -1.251 -9.663 277 1HE LYS 40 2HE LYS 40 -2.245 -1.255 -9.316 278 2HE LYS 40 1HE LYS 40 -2.440 0.295 -10.134 279 1HZ LYS 40 1HZ LYS 40 -2.937 -0.921 -11.915 280 2HZ LYS 40 2HZ LYS 40 -2.334 -2.350 -11.239 281 3HZ LYS 40 3HZ LYS 40 -1.286 -1.278 -12.022 282 H CYS 41 H CYS 41 -2.691 0.354 -7.308 283 HA CYS 41 HA CYS 41 -3.816 -1.241 -5.141 284 1HB CYS 41 2HB CYS 41 -4.919 0.496 -7.283 285 2HB CYS 41 1HB CYS 41 -5.916 -0.822 -6.717 286 H ALA 42 H ALA 42 -5.749 -2.655 -6.286 287 HA ALA 42 HA ALA 42 -4.265 -4.642 -7.844 288 1HB ALA 42 1HB ALA 42 -7.001 -5.199 -6.835 289 2HB ALA 42 2HB ALA 42 -5.701 -5.043 -5.653 290 3HB ALA 42 3HB ALA 42 -5.591 -6.255 -6.930 Start of MODEL 12 1 1H ASP 1 1HT ASP 1 -10.526 15.834 -2.937 2 2H ASP 1 2HT ASP 1 -10.786 14.387 -2.051 3 3H ASP 1 3HT ASP 1 -12.124 15.308 -2.609 4 HA ASP 1 HA ASP 1 -11.575 13.261 -3.876 5 1HB ASP 1 2HB ASP 1 -12.626 15.707 -4.572 6 2HB ASP 1 1HB ASP 1 -11.394 15.467 -5.808 7 H ARG 2 H ARG 2 -9.017 13.831 -2.768 8 HA ARG 2 HA ARG 2 -7.377 13.225 -5.090 9 1HB ARG 2 2HB ARG 2 -6.889 15.587 -3.280 10 2HB ARG 2 1HB ARG 2 -5.615 14.868 -4.256 11 1HG ARG 2 2HG ARG 2 -7.463 15.234 -6.155 12 2HG ARG 2 1HG ARG 2 -7.905 16.543 -5.059 13 1HD ARG 2 2HD ARG 2 -6.302 17.283 -6.756 14 2HD ARG 2 1HD ARG 2 -5.630 17.397 -5.130 15 HE ARG 2 HE ARG 2 -4.024 15.904 -5.750 16 1HH1 ARG 2 1HH1 ARG 2 -6.701 15.619 -7.969 17 2HH1 ARG 2 2HH1 ARG 2 -5.886 14.497 -9.005 18 1HH2 ARG 2 1HH2 ARG 2 -2.948 14.428 -7.112 19 2HH2 ARG 2 2HH2 ARG 2 -3.755 13.820 -8.520 20 H ASP 3 H ASP 3 -8.100 11.384 -3.313 21 HA ASP 3 HA ASP 3 -6.491 11.129 -1.016 22 1HB ASP 3 2HB ASP 3 -8.519 9.623 -2.304 23 2HB ASP 3 1HB ASP 3 -7.146 8.544 -2.077 24 H SER 4 H SER 4 -6.254 8.935 -3.798 25 HA SER 4 HA SER 4 -4.473 7.884 -4.749 26 1HB SER 4 2HB SER 4 -3.439 10.666 -4.288 27 2HB SER 4 1HB SER 4 -2.387 9.429 -4.975 28 HG SER 4 HG SER 4 -3.368 9.702 -6.800 29 H CYS 5 H CYS 5 -4.270 6.328 -3.084 30 HA CYS 5 HA CYS 5 -2.726 6.714 -0.753 31 1HB CYS 5 2HB CYS 5 -3.692 4.281 -2.227 32 2HB CYS 5 1HB CYS 5 -2.619 4.123 -0.841 33 H VAL 6 H VAL 6 -1.885 5.910 -4.029 34 HA VAL 6 HA VAL 6 0.558 4.671 -3.760 35 HB VAL 6 HB VAL 6 0.028 6.810 -5.791 36 1HG1 VAL 6 1HG1 VAL 6 2.297 6.012 -5.806 37 2HG1 VAL 6 2HG1 VAL 6 1.454 5.374 -7.218 38 3HG1 VAL 6 3HG1 VAL 6 1.744 4.337 -5.822 39 1HG2 VAL 6 1HG2 VAL 6 -0.632 4.476 -7.031 40 2HG2 VAL 6 2HG2 VAL 6 -1.789 5.617 -6.346 41 3HG2 VAL 6 3HG2 VAL 6 -1.271 4.217 -5.407 42 H ASP 7 H ASP 7 -0.178 8.116 -3.555 43 HA ASP 7 HA ASP 7 2.614 8.645 -2.815 44 1HB ASP 7 2HB ASP 7 0.843 10.013 -4.507 45 2HB ASP 7 1HB ASP 7 0.977 11.020 -3.069 46 H LYS 8 H LYS 8 0.507 7.454 -1.071 47 HA LYS 8 HA LYS 8 0.661 9.440 1.094 48 1HB LYS 8 2HB LYS 8 -1.679 8.719 -0.114 49 2HB LYS 8 1HB LYS 8 -1.608 7.567 1.212 50 1HG LYS 8 2HG LYS 8 -2.791 9.346 2.103 51 2HG LYS 8 1HG LYS 8 -1.150 9.615 2.694 52 1HD LYS 8 2HD LYS 8 -1.185 10.934 0.268 53 2HD LYS 8 1HD LYS 8 -2.791 11.247 0.928 54 1HE LYS 8 2HE LYS 8 -0.198 11.706 2.399 55 2HE LYS 8 1HE LYS 8 -1.118 12.958 1.565 56 1HZ LYS 8 1HZ LYS 8 -2.874 12.762 3.082 57 2HZ LYS 8 2HZ LYS 8 -1.481 12.734 4.041 58 3HZ LYS 8 3HZ LYS 8 -2.307 11.296 3.706 59 H SER 9 H SER 9 0.115 5.997 0.366 60 HA SER 9 HA SER 9 1.273 5.290 2.961 61 1HB SER 9 2HB SER 9 -0.935 4.301 1.867 62 2HB SER 9 1HB SER 9 0.218 3.224 1.081 63 HG SER 9 HG SER 9 1.042 2.873 3.301 64 H ARG 10 H ARG 10 3.242 4.419 3.167 65 HA ARG 10 HA ARG 10 4.965 4.276 0.884 66 1HB ARG 10 2HB ARG 10 5.514 5.025 3.303 67 2HB ARG 10 1HB ARG 10 5.685 3.304 3.627 68 1HG ARG 10 2HG ARG 10 7.389 3.137 1.910 69 2HG ARG 10 1HG ARG 10 7.216 4.856 1.553 70 1HD ARG 10 2HD ARG 10 8.270 5.503 3.475 71 2HD ARG 10 1HD ARG 10 7.765 4.066 4.362 72 HE ARG 10 HE ARG 10 9.612 2.932 3.557 73 1HH1 ARG 10 1HH1 ARG 10 9.372 6.065 2.032 74 2HH1 ARG 10 2HH1 ARG 10 10.984 6.017 1.402 75 1HH2 ARG 10 1HH2 ARG 10 11.730 2.875 2.732 76 2HH2 ARG 10 2HH2 ARG 10 12.321 4.206 1.796 77 H CYS 11 H CYS 11 6.179 2.429 0.231 78 HA CYS 11 HA CYS 11 4.983 -0.154 0.967 79 1HB CYS 11 2HB CYS 11 4.981 1.156 -1.608 80 2HB CYS 11 1HB CYS 11 5.850 -0.370 -1.699 81 H ALA 12 H ALA 12 6.396 -2.018 0.330 82 HA ALA 12 HA ALA 12 9.141 -1.414 1.087 83 1HB ALA 12 1HB ALA 12 7.401 -3.790 1.169 84 2HB ALA 12 2HB ALA 12 8.622 -3.236 2.313 85 3HB ALA 12 3HB ALA 12 9.108 -4.099 0.854 86 H LYS 13 H LYS 13 10.771 -3.057 -0.049 87 HA LYS 13 HA LYS 13 11.404 -2.137 -2.515 88 1HB LYS 13 2HB LYS 13 12.869 -3.580 -1.184 89 2HB LYS 13 1HB LYS 13 11.837 -4.959 -1.529 90 1HG LYS 13 2HG LYS 13 12.460 -4.982 -3.803 91 2HG LYS 13 1HG LYS 13 13.202 -3.385 -3.691 92 1HD LYS 13 2HD LYS 13 14.709 -4.560 -1.889 93 2HD LYS 13 1HD LYS 13 14.218 -6.025 -2.740 94 1HE LYS 13 2HE LYS 13 14.926 -4.177 -4.729 95 2HE LYS 13 1HE LYS 13 16.167 -4.047 -3.484 96 1HZ LYS 13 1HZ LYS 13 15.875 -6.710 -3.721 97 2HZ LYS 13 2HZ LYS 13 17.054 -5.799 -4.522 98 3HZ LYS 13 3HZ LYS 13 15.617 -6.206 -5.316 99 H TYR 14 H TYR 14 9.293 -4.910 -1.855 100 HA TYR 14 HA TYR 14 7.573 -4.509 -3.961 101 1HB TYR 14 2HB TYR 14 8.398 -6.522 -5.413 102 2HB TYR 14 1HB TYR 14 9.076 -4.920 -5.665 103 HD1 TYR 14 1HD TYR 14 10.049 -6.928 -2.747 104 HD2 TYR 14 2HD TYR 14 11.061 -5.821 -6.728 105 HE1 TYR 14 1HE TYR 14 12.303 -7.849 -2.423 106 HE2 TYR 14 2HE TYR 14 13.319 -6.740 -6.414 107 HH TYR 14 HH TYR 14 14.151 -8.808 -4.048 108 H GLY 15 H GLY 15 6.117 -6.336 -4.369 109 1HA GLY 15 2HA GLY 15 5.509 -8.635 -3.788 110 2HA GLY 15 1HA GLY 15 6.275 -8.371 -2.231 111 H TYR 16 H TYR 16 4.637 -8.651 -0.839 112 HA TYR 16 HA TYR 16 2.173 -7.105 -1.287 113 1HB TYR 16 2HB TYR 16 2.077 -9.658 -1.068 114 2HB TYR 16 1HB TYR 16 2.460 -9.412 0.632 115 HD1 TYR 16 1HD TYR 16 0.879 -7.964 2.013 116 HD2 TYR 16 2HD TYR 16 -0.128 -9.465 -1.839 117 HE1 TYR 16 1HE TYR 16 -1.504 -7.594 2.498 118 HE2 TYR 16 2HE TYR 16 -2.513 -9.098 -1.365 119 HH TYR 16 HH TYR 16 -3.811 -7.386 0.336 120 H TYR 17 H TYR 17 1.178 -6.082 0.534 121 HA TYR 17 HA TYR 17 2.624 -5.808 3.003 122 1HB TYR 17 2HB TYR 17 3.807 -4.257 1.394 123 2HB TYR 17 1HB TYR 17 2.311 -3.336 1.294 124 HD1 TYR 17 1HD TYR 17 3.194 -1.295 2.155 125 HD2 TYR 17 2HD TYR 17 3.546 -4.885 4.413 126 HE1 TYR 17 1HE TYR 17 3.871 0.015 4.123 127 HE2 TYR 17 2HE TYR 17 4.221 -3.584 6.386 128 HH TYR 17 HH TYR 17 5.391 -1.140 6.668 129 H GLN 18 H GLN 18 0.985 -6.015 4.373 130 HA GLN 18 HA GLN 18 -1.689 -5.668 3.911 131 1HB GLN 18 2HB GLN 18 -0.278 -6.531 6.011 132 2HB GLN 18 1HB GLN 18 -0.725 -4.945 6.626 133 1HG GLN 18 2HG GLN 18 -2.768 -5.638 7.108 134 2HG GLN 18 1HG GLN 18 -3.011 -6.229 5.465 135 1HE2 GLN 18 1HE2 GLN 18 -3.216 -7.158 8.518 136 2HE2 GLN 18 2HE2 GLN 18 -2.802 -8.831 8.386 137 H GLU 19 H GLU 19 0.672 -3.210 4.620 138 HA GLU 19 HA GLU 19 -1.098 -1.164 5.429 139 1HB GLU 19 2HB GLU 19 1.602 -1.410 5.320 140 2HB GLU 19 1HB GLU 19 1.322 -0.353 3.943 141 1HG GLU 19 2HG GLU 19 0.813 1.400 5.233 142 2HG GLU 19 1HG GLU 19 -0.119 0.423 6.368 143 H CYS 20 H CYS 20 0.375 -1.863 2.262 144 HA CYS 20 HA CYS 20 -0.936 0.204 0.870 145 1HB CYS 20 2HB CYS 20 1.093 -1.143 0.120 146 2HB CYS 20 1HB CYS 20 -0.038 -2.408 -0.344 147 H GLN 21 H GLN 21 -1.632 -3.294 0.931 148 HA GLN 21 HA GLN 21 -3.956 -3.244 -0.576 149 1HB GLN 21 2HB GLN 21 -4.500 -5.388 0.414 150 2HB GLN 21 1HB GLN 21 -2.779 -5.303 0.077 151 1HG GLN 21 2HG GLN 21 -2.293 -5.730 2.168 152 2HG GLN 21 1HG GLN 21 -3.273 -4.381 2.730 153 1HE2 GLN 21 1HE2 GLN 21 -5.766 -5.011 2.286 154 2HE2 GLN 21 2HE2 GLN 21 -6.221 -6.493 3.050 155 H ASP 22 H ASP 22 -3.458 -2.431 2.781 156 HA ASP 22 HA ASP 22 -6.188 -2.464 3.564 157 1HB ASP 22 2HB ASP 22 -3.647 -1.409 4.710 158 2HB ASP 22 1HB ASP 22 -5.158 -0.764 5.343 159 H CYS 23 H CYS 23 -4.012 0.082 2.417 160 HA CYS 23 HA CYS 23 -5.723 2.264 2.706 161 1HB CYS 23 2HB CYS 23 -3.189 2.002 1.926 162 2HB CYS 23 1HB CYS 23 -3.939 2.159 0.350 163 H CYS 24 H CYS 24 -5.046 0.417 -0.254 164 HA CYS 24 HA CYS 24 -6.904 1.565 -1.928 165 1HB CYS 24 2HB CYS 24 -5.126 -0.201 -2.447 166 2HB CYS 24 1HB CYS 24 -6.319 -1.392 -1.946 167 H LYS 25 H LYS 25 -7.400 -1.416 -0.028 168 HA LYS 25 HA LYS 25 -10.054 -1.866 -0.614 169 1HB LYS 25 2HB LYS 25 -8.784 -3.502 0.574 170 2HB LYS 25 1HB LYS 25 -8.467 -2.389 1.896 171 1HG LYS 25 2HG LYS 25 -11.168 -2.468 1.954 172 2HG LYS 25 1HG LYS 25 -10.800 -4.090 1.368 173 1HD LYS 25 2HD LYS 25 -10.206 -4.728 3.409 174 2HD LYS 25 1HD LYS 25 -9.008 -3.439 3.495 175 1HE LYS 25 2HE LYS 25 -11.777 -2.554 3.876 176 2HE LYS 25 1HE LYS 25 -11.187 -3.659 5.117 177 1HZ LYS 25 1HZ LYS 25 -9.634 -1.283 4.281 178 2HZ LYS 25 2HZ LYS 25 -9.471 -2.202 5.691 179 3HZ LYS 25 3HZ LYS 25 -10.814 -1.195 5.491 180 H ASN 26 H ASN 26 -8.686 0.236 1.893 181 HA ASN 26 HA ASN 26 -11.162 0.941 3.070 182 1HB ASN 26 2HB ASN 26 -8.495 1.369 3.656 183 2HB ASN 26 1HB ASN 26 -9.082 2.981 3.269 184 1HD2 ASN 26 1HD2 ASN 26 -8.628 0.861 5.707 185 2HD2 ASN 26 2HD2 ASN 26 -9.803 1.441 6.832 186 H ALA 27 H ALA 27 -9.477 2.057 0.258 187 HA ALA 27 HA ALA 27 -10.827 4.576 0.058 188 1HB ALA 27 1HB ALA 27 -9.732 3.366 -2.398 189 2HB ALA 27 2HB ALA 27 -8.588 3.599 -1.076 190 3HB ALA 27 3HB ALA 27 -9.489 4.975 -1.715 191 H GLY 28 H GLY 28 -11.351 1.331 -1.149 192 1HA GLY 28 2HA GLY 28 -13.910 1.033 -1.365 193 2HA GLY 28 1HA GLY 28 -13.713 2.240 -2.623 194 H HIS 29 H HIS 29 -11.431 -0.349 -1.927 195 HA HIS 29 HA HIS 29 -12.304 -1.767 -4.335 196 1HB HIS 29 2HB HIS 29 -9.405 -1.102 -3.805 197 2HB HIS 29 1HB HIS 29 -10.078 -1.870 -5.238 198 HD1 HIS 29 1HD HIS 29 -12.148 -0.104 -6.258 199 HD2 HIS 29 2HD HIS 29 -8.763 1.444 -4.413 200 HE1 HIS 29 1HE HIS 29 -11.958 2.265 -7.080 201 HE2 HIS 29 2HE HIS 29 -9.843 3.145 -6.034 202 H ASN 30 H ASN 30 -9.873 -3.467 -4.203 203 HA ASN 30 HA ASN 30 -10.689 -5.087 -1.892 204 1HB ASN 30 2HB ASN 30 -9.579 -5.789 -4.594 205 2HB ASN 30 1HB ASN 30 -9.440 -6.919 -3.250 206 1HD2 ASN 30 1HD2 ASN 30 -11.920 -4.797 -4.651 207 2HD2 ASN 30 2HD2 ASN 30 -13.182 -5.977 -4.629 208 H GLY 31 H GLY 31 -7.791 -4.159 -3.757 209 1HA GLY 31 2HA GLY 31 -6.237 -3.608 -1.481 210 2HA GLY 31 1HA GLY 31 -5.911 -5.258 -1.985 211 H GLY 32 H GLY 32 -3.768 -4.771 -2.506 212 1HA GLY 32 2HA GLY 32 -3.384 -3.889 -5.196 213 2HA GLY 32 1HA GLY 32 -2.806 -2.699 -4.039 214 H THR 33 H THR 33 -0.686 -3.028 -4.904 215 HA THR 33 HA THR 33 0.707 -5.182 -3.543 216 HB THR 33 HB THR 33 0.198 -6.211 -5.683 217 HG1 THR 33 1HG THR 33 2.261 -6.626 -4.846 218 1HG2 THR 33 1HG2 THR 33 1.027 -3.610 -6.769 219 2HG2 THR 33 2HG2 THR 33 -0.129 -4.791 -7.387 220 3HG2 THR 33 3HG2 THR 33 1.599 -5.030 -7.646 221 H CYS 34 H CYS 34 2.971 -4.820 -3.332 222 HA CYS 34 HA CYS 34 3.672 -2.011 -3.443 223 1HB CYS 34 2HB CYS 34 4.691 -4.435 -2.023 224 2HB CYS 34 1HB CYS 34 5.752 -3.058 -2.223 225 H MET 35 H MET 35 4.777 -1.225 -5.107 226 HA MET 35 HA MET 35 6.622 -3.011 -6.549 227 1HB MET 35 2HB MET 35 4.618 -1.036 -7.572 228 2HB MET 35 1HB MET 35 6.078 -1.344 -8.504 229 1HG MET 35 2HG MET 35 5.295 -3.868 -8.046 230 2HG MET 35 1HG MET 35 3.730 -3.058 -8.033 231 1HE MET 35 1HE MET 35 2.917 -4.453 -9.846 232 2HE MET 35 2HE MET 35 4.345 -5.303 -10.438 233 3HE MET 35 3HE MET 35 3.365 -4.344 -11.548 234 H PHE 36 H PHE 36 8.601 -2.412 -5.918 235 HA PHE 36 HA PHE 36 10.398 -1.134 -5.351 236 1HB PHE 36 2HB PHE 36 10.439 -0.848 -7.749 237 2HB PHE 36 1HB PHE 36 9.262 0.451 -7.649 238 HD1 PHE 36 1HD PHE 36 12.322 -0.205 -5.673 239 HD2 PHE 36 2HD PHE 36 10.319 2.376 -8.387 240 HE1 PHE 36 1HE PHE 36 14.164 1.418 -5.474 241 HE2 PHE 36 2HE PHE 36 12.152 4.007 -8.200 242 HZ PHE 36 HZ PHE 36 14.079 3.529 -6.741 243 H PHE 37 H PHE 37 8.917 -0.674 -3.367 244 HA PHE 37 HA PHE 37 8.351 0.752 -1.703 245 1HB PHE 37 2HB PHE 37 10.214 2.482 -3.311 246 2HB PHE 37 1HB PHE 37 9.456 3.068 -1.832 247 HD1 PHE 37 1HD PHE 37 11.049 -0.157 -2.844 248 HD2 PHE 37 2HD PHE 37 10.930 3.073 -0.076 249 HE1 PHE 37 1HE PHE 37 12.812 -1.238 -1.514 250 HE2 PHE 37 2HE PHE 37 12.694 1.996 1.258 251 HZ PHE 37 HZ PHE 37 13.635 -0.165 0.539 252 H LYS 38 H LYS 38 6.748 0.667 -4.275 253 HA LYS 38 HA LYS 38 5.311 3.213 -3.883 254 1HB LYS 38 2HB LYS 38 5.283 1.499 -6.374 255 2HB LYS 38 1HB LYS 38 4.520 3.068 -6.166 256 1HG LYS 38 2HG LYS 38 7.045 3.738 -5.590 257 2HG LYS 38 1HG LYS 38 7.343 2.385 -6.682 258 1HD LYS 38 2HD LYS 38 6.947 3.718 -8.416 259 2HD LYS 38 1HD LYS 38 5.297 3.957 -7.840 260 1HE LYS 38 2HE LYS 38 6.696 5.626 -6.205 261 2HE LYS 38 1HE LYS 38 7.627 5.735 -7.698 262 1HZ LYS 38 1HZ LYS 38 6.094 7.304 -8.152 263 2HZ LYS 38 2HZ LYS 38 4.921 6.641 -7.128 264 3HZ LYS 38 3HZ LYS 38 5.176 5.976 -8.663 265 H CYS 39 H CYS 39 3.059 3.147 -3.721 266 HA CYS 39 HA CYS 39 1.984 0.483 -3.089 267 1HB CYS 39 2HB CYS 39 1.986 2.034 -1.202 268 2HB CYS 39 1HB CYS 39 1.080 3.211 -2.146 269 H LYS 40 H LYS 40 1.135 -0.228 -4.986 270 HA LYS 40 HA LYS 40 -0.778 1.535 -6.364 271 1HB LYS 40 2HB LYS 40 1.261 0.348 -7.536 272 2HB LYS 40 1HB LYS 40 0.188 -1.044 -7.537 273 1HG LYS 40 2HG LYS 40 0.056 0.167 -9.637 274 2HG LYS 40 1HG LYS 40 -1.482 0.231 -8.774 275 1HD LYS 40 2HD LYS 40 -1.382 2.462 -8.516 276 2HD LYS 40 1HD LYS 40 0.345 2.439 -8.156 277 1HE LYS 40 2HE LYS 40 0.928 2.816 -10.300 278 2HE LYS 40 1HE LYS 40 -0.363 1.798 -10.937 279 1HZ LYS 40 1HZ LYS 40 -0.371 4.409 -11.207 280 2HZ LYS 40 2HZ LYS 40 -1.139 4.328 -9.703 281 3HZ LYS 40 3HZ LYS 40 -1.804 3.525 -11.035 282 H CYS 41 H CYS 41 -2.743 0.465 -7.239 283 HA CYS 41 HA CYS 41 -3.863 -1.296 -5.218 284 1HB CYS 41 2HB CYS 41 -4.955 0.508 -7.324 285 2HB CYS 41 1HB CYS 41 -5.951 -0.814 -6.761 286 H ALA 42 H ALA 42 -5.763 -2.676 -6.468 287 HA ALA 42 HA ALA 42 -4.264 -4.419 -8.314 288 1HB ALA 42 1HB ALA 42 -5.265 -5.131 -5.921 289 2HB ALA 42 2HB ALA 42 -5.078 -6.249 -7.272 290 3HB ALA 42 3HB ALA 42 -6.645 -5.504 -6.953 Start of MODEL 13 1 1H ASP 1 1HT ASP 1 -11.126 17.003 -5.175 2 2H ASP 1 2HT ASP 1 -11.178 15.302 -4.951 3 3H ASP 1 3HT ASP 1 -10.321 15.968 -6.280 4 HA ASP 1 HA ASP 1 -8.939 17.155 -4.588 5 1HB ASP 1 2HB ASP 1 -10.380 15.101 -2.902 6 2HB ASP 1 1HB ASP 1 -8.875 15.868 -2.403 7 H ARG 2 H ARG 2 -9.826 13.751 -5.039 8 HA ARG 2 HA ARG 2 -8.638 11.945 -5.735 9 1HB ARG 2 2HB ARG 2 -7.958 13.388 -7.594 10 2HB ARG 2 1HB ARG 2 -6.628 14.019 -6.633 11 1HG ARG 2 2HG ARG 2 -5.655 12.434 -8.044 12 2HG ARG 2 1HG ARG 2 -5.804 11.617 -6.487 13 1HD ARG 2 2HD ARG 2 -8.119 11.324 -8.273 14 2HD ARG 2 1HD ARG 2 -6.630 10.583 -8.858 15 HE ARG 2 HE ARG 2 -7.147 9.918 -6.136 16 1HH1 ARG 2 1HH1 ARG 2 -8.045 9.139 -9.418 17 2HH1 ARG 2 2HH1 ARG 2 -8.524 7.520 -9.036 18 1HH2 ARG 2 1HH2 ARG 2 -7.777 7.789 -5.631 19 2HH2 ARG 2 2HH2 ARG 2 -8.373 6.753 -6.885 20 H ASP 3 H ASP 3 -8.022 10.748 -4.079 21 HA ASP 3 HA ASP 3 -6.012 11.689 -2.214 22 1HB ASP 3 2HB ASP 3 -6.623 9.069 -1.508 23 2HB ASP 3 1HB ASP 3 -7.318 10.525 -0.811 24 H SER 4 H SER 4 -6.403 8.444 -3.609 25 HA SER 4 HA SER 4 -4.902 6.973 -4.482 26 1HB SER 4 2HB SER 4 -4.554 9.252 -5.908 27 2HB SER 4 1HB SER 4 -2.930 9.041 -5.252 28 HG SER 4 HG SER 4 -4.108 7.727 -7.262 29 H CYS 5 H CYS 5 -4.065 5.853 -2.815 30 HA CYS 5 HA CYS 5 -2.351 6.926 -0.844 31 1HB CYS 5 2HB CYS 5 -3.794 4.638 -1.061 32 2HB CYS 5 1HB CYS 5 -2.171 4.023 -1.356 33 H VAL 6 H VAL 6 -1.746 5.952 -4.050 34 HA VAL 6 HA VAL 6 0.744 4.842 -4.081 35 HB VAL 6 HB VAL 6 -0.037 7.065 -5.933 36 1HG1 VAL 6 1HG1 VAL 6 1.213 5.282 -7.475 37 2HG1 VAL 6 2HG1 VAL 6 2.007 4.932 -5.939 38 3HG1 VAL 6 3HG1 VAL 6 2.066 6.562 -6.611 39 1HG2 VAL 6 1HG2 VAL 6 -1.911 5.746 -6.120 40 2HG2 VAL 6 2HG2 VAL 6 -1.034 4.265 -5.736 41 3HG2 VAL 6 3HG2 VAL 6 -0.857 5.007 -7.326 42 H ASP 7 H ASP 7 -0.088 8.134 -3.283 43 HA ASP 7 HA ASP 7 2.757 8.664 -2.729 44 1HB ASP 7 2HB ASP 7 1.295 9.975 -4.637 45 2HB ASP 7 1HB ASP 7 1.082 11.029 -3.241 46 H LYS 8 H LYS 8 0.818 7.563 -0.930 47 HA LYS 8 HA LYS 8 0.731 9.732 1.058 48 1HB LYS 8 2HB LYS 8 -1.524 8.941 -0.015 49 2HB LYS 8 1HB LYS 8 -1.333 7.562 1.059 50 1HG LYS 8 2HG LYS 8 -2.624 8.975 2.326 51 2HG LYS 8 1HG LYS 8 -1.000 9.372 2.893 52 1HD LYS 8 2HD LYS 8 -1.793 11.481 2.528 53 2HD LYS 8 1HD LYS 8 -1.143 11.138 0.924 54 1HE LYS 8 2HE LYS 8 -3.162 11.269 -0.008 55 2HE LYS 8 1HE LYS 8 -3.857 10.176 1.188 56 1HZ LYS 8 1HZ LYS 8 -3.296 12.874 2.107 57 2HZ LYS 8 2HZ LYS 8 -4.623 11.875 2.425 58 3HZ LYS 8 3HZ LYS 8 -4.540 12.731 0.968 59 H SER 9 H SER 9 0.317 6.194 0.805 60 HA SER 9 HA SER 9 1.719 5.894 3.355 61 1HB SER 9 2HB SER 9 -0.522 4.738 2.791 62 2HB SER 9 1HB SER 9 0.448 3.651 1.799 63 HG SER 9 HG SER 9 0.335 3.921 4.568 64 H ARG 10 H ARG 10 3.474 4.452 3.605 65 HA ARG 10 HA ARG 10 5.204 4.349 1.286 66 1HB ARG 10 2HB ARG 10 6.032 5.094 3.508 67 2HB ARG 10 1HB ARG 10 5.735 3.475 4.130 68 1HG ARG 10 2HG ARG 10 7.445 2.541 2.856 69 2HG ARG 10 1HG ARG 10 7.517 3.929 1.770 70 1HD ARG 10 2HD ARG 10 8.102 5.168 4.057 71 2HD ARG 10 1HD ARG 10 8.690 3.557 4.467 72 HE ARG 10 HE ARG 10 10.417 3.842 2.987 73 1HH1 ARG 10 1HH1 ARG 10 8.022 6.318 2.434 74 2HH1 ARG 10 2HH1 ARG 10 9.018 7.210 1.333 75 1HH2 ARG 10 1HH2 ARG 10 11.727 5.012 1.539 76 2HH2 ARG 10 2HH2 ARG 10 11.122 6.468 0.825 77 H CYS 11 H CYS 11 6.490 2.351 0.881 78 HA CYS 11 HA CYS 11 5.087 -0.130 1.531 79 1HB CYS 11 2HB CYS 11 4.425 0.958 -0.780 80 2HB CYS 11 1HB CYS 11 5.959 0.278 -1.301 81 H ALA 12 H ALA 12 6.400 -2.052 0.612 82 HA ALA 12 HA ALA 12 9.150 -1.668 1.465 83 1HB ALA 12 1HB ALA 12 8.652 -3.628 2.418 84 2HB ALA 12 2HB ALA 12 8.885 -4.329 0.817 85 3HB ALA 12 3HB ALA 12 7.265 -3.887 1.357 86 H LYS 13 H LYS 13 10.576 -3.500 0.115 87 HA LYS 13 HA LYS 13 11.311 -2.228 -2.233 88 1HB LYS 13 2HB LYS 13 12.492 -4.076 -0.781 89 2HB LYS 13 1HB LYS 13 11.767 -5.163 -1.955 90 1HG LYS 13 2HG LYS 13 12.926 -4.090 -3.758 91 2HG LYS 13 1HG LYS 13 13.537 -2.840 -2.672 92 1HD LYS 13 2HD LYS 13 14.718 -4.636 -1.397 93 2HD LYS 13 1HD LYS 13 14.224 -5.776 -2.649 94 1HE LYS 13 2HE LYS 13 16.385 -5.149 -3.275 95 2HE LYS 13 1HE LYS 13 15.340 -4.162 -4.295 96 1HZ LYS 13 1HZ LYS 13 15.606 -2.389 -2.540 97 2HZ LYS 13 2HZ LYS 13 16.980 -2.726 -3.468 98 3HZ LYS 13 3HZ LYS 13 16.856 -3.329 -1.893 99 H TYR 14 H TYR 14 9.123 -4.980 -1.794 100 HA TYR 14 HA TYR 14 7.461 -4.417 -3.905 101 1HB TYR 14 2HB TYR 14 8.320 -6.359 -5.467 102 2HB TYR 14 1HB TYR 14 8.963 -4.730 -5.623 103 HD1 TYR 14 1HD TYR 14 9.703 -7.621 -3.363 104 HD2 TYR 14 2HD TYR 14 11.210 -4.755 -6.123 105 HE1 TYR 14 1HE TYR 14 11.976 -8.498 -3.023 106 HE2 TYR 14 2HE TYR 14 13.486 -5.624 -5.791 107 HH TYR 14 HH TYR 14 14.218 -8.462 -4.616 108 H GLY 15 H GLY 15 5.965 -6.155 -4.433 109 1HA GLY 15 2HA GLY 15 5.343 -8.504 -4.045 110 2HA GLY 15 1HA GLY 15 6.075 -8.354 -2.456 111 H TYR 16 H TYR 16 4.450 -8.627 -1.064 112 HA TYR 16 HA TYR 16 1.987 -7.073 -1.489 113 1HB TYR 16 2HB TYR 16 1.836 -9.606 -1.420 114 2HB TYR 16 1HB TYR 16 2.277 -9.499 0.280 115 HD1 TYR 16 1HD TYR 16 0.781 -7.791 1.674 116 HD2 TYR 16 2HD TYR 16 -0.411 -9.679 -1.948 117 HE1 TYR 16 1HE TYR 16 -1.578 -7.431 2.269 118 HE2 TYR 16 2HE TYR 16 -2.772 -9.323 -1.364 119 HH TYR 16 HH TYR 16 -4.092 -7.736 0.084 120 H TYR 17 H TYR 17 1.570 -5.471 -0.126 121 HA TYR 17 HA TYR 17 2.876 -5.493 2.514 122 1HB TYR 17 2HB TYR 17 3.775 -3.810 0.797 123 2HB TYR 17 1HB TYR 17 2.240 -2.973 0.986 124 HD1 TYR 17 1HD TYR 17 2.894 -0.964 2.006 125 HD2 TYR 17 2HD TYR 17 4.236 -4.661 3.630 126 HE1 TYR 17 1HE TYR 17 3.787 0.227 3.965 127 HE2 TYR 17 2HE TYR 17 5.130 -3.480 5.592 128 HH TYR 17 HH TYR 17 4.403 -0.197 6.253 129 H GLN 18 H GLN 18 1.348 -5.891 3.962 130 HA GLN 18 HA GLN 18 -1.354 -5.781 3.738 131 1HB GLN 18 2HB GLN 18 0.087 -6.631 5.681 132 2HB GLN 18 1HB GLN 18 -0.004 -4.992 6.308 133 1HG GLN 18 2HG GLN 18 -1.884 -5.574 7.313 134 2HG GLN 18 1HG GLN 18 -2.633 -5.656 5.719 135 1HE2 GLN 18 1HE2 GLN 18 -2.791 -7.233 8.352 136 2HE2 GLN 18 2HE2 GLN 18 -2.736 -8.878 7.832 137 H GLU 19 H GLU 19 0.747 -3.095 4.688 138 HA GLU 19 HA GLU 19 -1.240 -1.265 5.399 139 1HB GLU 19 2HB GLU 19 1.476 -1.218 5.350 140 2HB GLU 19 1HB GLU 19 1.108 -0.151 4.000 141 1HG GLU 19 2HG GLU 19 -0.192 1.284 5.421 142 2HG GLU 19 1HG GLU 19 -0.006 0.172 6.775 143 H CYS 20 H CYS 20 0.191 -1.993 2.249 144 HA CYS 20 HA CYS 20 -1.105 0.062 0.814 145 1HB CYS 20 2HB CYS 20 0.831 -1.751 0.216 146 2HB CYS 20 1HB CYS 20 -0.541 -2.437 -0.648 147 H GLN 21 H GLN 21 -1.881 -3.421 1.035 148 HA GLN 21 HA GLN 21 -4.232 -3.334 -0.448 149 1HB GLN 21 2HB GLN 21 -4.771 -5.470 0.487 150 2HB GLN 21 1HB GLN 21 -3.031 -5.402 0.259 151 1HG GLN 21 2HG GLN 21 -2.638 -5.726 2.405 152 2HG GLN 21 1HG GLN 21 -3.803 -4.503 2.895 153 1HE2 GLN 21 1HE2 GLN 21 -6.137 -5.507 1.944 154 2HE2 GLN 21 2HE2 GLN 21 -6.512 -6.997 2.734 155 H ASP 22 H ASP 22 -3.626 -2.429 2.856 156 HA ASP 22 HA ASP 22 -6.337 -2.413 3.721 157 1HB ASP 22 2HB ASP 22 -4.043 -2.307 5.063 158 2HB ASP 22 1HB ASP 22 -4.339 -0.574 4.954 159 H CYS 23 H CYS 23 -4.152 0.079 2.462 160 HA CYS 23 HA CYS 23 -5.880 2.267 2.736 161 1HB CYS 23 2HB CYS 23 -3.324 1.996 1.986 162 2HB CYS 23 1HB CYS 23 -4.067 2.182 0.408 163 H CYS 24 H CYS 24 -5.154 0.351 -0.167 164 HA CYS 24 HA CYS 24 -6.967 1.475 -1.907 165 1HB CYS 24 2HB CYS 24 -5.182 -0.304 -2.349 166 2HB CYS 24 1HB CYS 24 -6.395 -1.481 -1.862 167 H LYS 25 H LYS 25 -7.534 -1.491 0.015 168 HA LYS 25 HA LYS 25 -10.185 -1.887 -0.646 169 1HB LYS 25 2HB LYS 25 -10.371 -3.244 1.315 170 2HB LYS 25 1HB LYS 25 -8.742 -3.438 0.688 171 1HG LYS 25 2HG LYS 25 -7.826 -2.078 2.398 172 2HG LYS 25 1HG LYS 25 -9.424 -1.547 2.922 173 1HD LYS 25 2HD LYS 25 -9.138 -4.444 2.946 174 2HD LYS 25 1HD LYS 25 -7.964 -3.637 3.988 175 1HE LYS 25 2HE LYS 25 -10.907 -3.017 4.053 176 2HE LYS 25 1HE LYS 25 -10.172 -4.266 5.057 177 1HZ LYS 25 1HZ LYS 25 -9.155 -1.492 5.068 178 2HZ LYS 25 2HZ LYS 25 -8.942 -2.699 6.233 179 3HZ LYS 25 3HZ LYS 25 -10.450 -1.956 6.053 180 H ASN 26 H ASN 26 -8.804 0.324 1.712 181 HA ASN 26 HA ASN 26 -11.278 1.056 2.919 182 1HB ASN 26 2HB ASN 26 -8.594 1.515 3.454 183 2HB ASN 26 1HB ASN 26 -9.205 3.107 3.018 184 1HD2 ASN 26 1HD2 ASN 26 -9.022 0.721 5.409 185 2HD2 ASN 26 2HD2 ASN 26 -10.054 1.467 6.577 186 H ALA 27 H ALA 27 -9.595 2.019 0.050 187 HA ALA 27 HA ALA 27 -10.973 4.518 -0.280 188 1HB ALA 27 1HB ALA 27 -9.795 3.220 -2.651 189 2HB ALA 27 2HB ALA 27 -8.688 3.540 -1.316 190 3HB ALA 27 3HB ALA 27 -9.602 4.863 -2.041 191 H GLY 28 H GLY 28 -11.441 1.205 -1.289 192 1HA GLY 28 2HA GLY 28 -13.969 0.839 -1.568 193 2HA GLY 28 1HA GLY 28 -13.778 2.003 -2.868 194 H HIS 29 H HIS 29 -11.480 -0.535 -2.021 195 HA HIS 29 HA HIS 29 -12.269 -2.035 -4.406 196 1HB HIS 29 2HB HIS 29 -9.397 -1.303 -3.821 197 2HB HIS 29 1HB HIS 29 -10.010 -2.150 -5.236 198 HD1 HIS 29 1HD HIS 29 -12.036 -0.502 -6.454 199 HD2 HIS 29 2HD HIS 29 -8.830 1.249 -4.475 200 HE1 HIS 29 1HE HIS 29 -11.880 1.837 -7.365 201 HE2 HIS 29 2HE HIS 29 -9.872 2.843 -6.224 202 H ASN 30 H ASN 30 -9.838 -3.709 -4.165 203 HA ASN 30 HA ASN 30 -10.706 -5.281 -1.844 204 1HB ASN 30 2HB ASN 30 -9.637 -5.968 -4.529 205 2HB ASN 30 1HB ASN 30 -9.178 -7.021 -3.194 206 1HD2 ASN 30 1HD2 ASN 30 -10.350 -8.763 -3.888 207 2HD2 ASN 30 2HD2 ASN 30 -12.076 -8.802 -3.886 208 H GLY 31 H GLY 31 -7.698 -4.516 -3.619 209 1HA GLY 31 2HA GLY 31 -6.312 -3.896 -1.192 210 2HA GLY 31 1HA GLY 31 -5.848 -5.465 -1.836 211 H GLY 32 H GLY 32 -3.713 -4.518 -2.029 212 1HA GLY 32 2HA GLY 32 -3.378 -3.304 -4.657 213 2HA GLY 32 1HA GLY 32 -2.774 -2.377 -3.293 214 H THR 33 H THR 33 -0.956 -2.960 -5.106 215 HA THR 33 HA THR 33 0.543 -5.228 -3.969 216 HB THR 33 HB THR 33 -0.121 -5.692 -6.273 217 HG1 THR 33 1HG THR 33 1.943 -6.396 -5.597 218 1HG2 THR 33 1HG2 THR 33 1.621 -3.652 -7.459 219 2HG2 THR 33 2HG2 THR 33 0.095 -3.061 -6.799 220 3HG2 THR 33 3HG2 THR 33 0.094 -4.323 -8.031 221 H CYS 34 H CYS 34 2.973 -4.974 -4.435 222 HA CYS 34 HA CYS 34 3.750 -2.191 -3.850 223 1HB CYS 34 2HB CYS 34 4.006 -4.092 -2.063 224 2HB CYS 34 1HB CYS 34 5.417 -4.532 -3.016 225 H MET 35 H MET 35 4.994 -1.251 -5.320 226 HA MET 35 HA MET 35 6.699 -2.943 -7.023 227 1HB MET 35 2HB MET 35 4.767 -0.792 -7.773 228 2HB MET 35 1HB MET 35 6.221 -1.000 -8.742 229 1HG MET 35 2HG MET 35 5.615 -3.330 -9.154 230 2HG MET 35 1HG MET 35 4.158 -3.120 -8.185 231 1HE MET 35 1HE MET 35 5.235 -0.636 -11.745 232 2HE MET 35 2HE MET 35 5.332 -2.327 -12.234 233 3HE MET 35 3HE MET 35 6.270 -1.754 -10.854 234 H PHE 36 H PHE 36 8.547 -2.472 -5.786 235 HA PHE 36 HA PHE 36 10.371 -1.304 -5.097 236 1HB PHE 36 2HB PHE 36 10.733 -1.157 -7.479 237 2HB PHE 36 1HB PHE 36 9.658 0.223 -7.593 238 HD1 PHE 36 1HD PHE 36 12.773 -0.862 -5.917 239 HD2 PHE 36 2HD PHE 36 10.559 2.356 -7.583 240 HE1 PHE 36 1HE PHE 36 14.706 0.627 -5.582 241 HE2 PHE 36 2HE PHE 36 12.482 3.858 -7.256 242 HZ PHE 36 HZ PHE 36 14.560 2.993 -6.253 243 H PHE 37 H PHE 37 8.607 -0.647 -3.382 244 HA PHE 37 HA PHE 37 8.097 0.902 -1.808 245 1HB PHE 37 2HB PHE 37 9.646 2.925 -3.423 246 2HB PHE 37 1HB PHE 37 9.288 2.966 -1.700 247 HD1 PHE 37 1HD PHE 37 9.916 0.080 -1.085 248 HD2 PHE 37 2HD PHE 37 12.003 3.012 -3.355 249 HE1 PHE 37 1HE PHE 37 12.036 -1.071 -0.612 250 HE2 PHE 37 2HE PHE 37 14.129 1.862 -2.889 251 HZ PHE 37 HZ PHE 37 14.145 -0.186 -1.516 252 H LYS 38 H LYS 38 6.842 0.819 -4.767 253 HA LYS 38 HA LYS 38 5.267 3.279 -4.478 254 1HB LYS 38 2HB LYS 38 5.721 1.407 -6.785 255 2HB LYS 38 1HB LYS 38 4.360 2.515 -6.777 256 1HG LYS 38 2HG LYS 38 6.941 3.753 -6.152 257 2HG LYS 38 1HG LYS 38 6.813 3.082 -7.779 258 1HD LYS 38 2HD LYS 38 5.032 4.479 -8.345 259 2HD LYS 38 1HD LYS 38 4.645 4.823 -6.657 260 1HE LYS 38 2HE LYS 38 7.082 5.845 -6.679 261 2HE LYS 38 1HE LYS 38 6.754 5.986 -8.406 262 1HZ LYS 38 1HZ LYS 38 5.007 7.437 -8.038 263 2HZ LYS 38 2HZ LYS 38 6.133 7.928 -6.876 264 3HZ LYS 38 3HZ LYS 38 4.809 6.978 -6.422 265 H CYS 39 H CYS 39 3.279 3.207 -3.685 266 HA CYS 39 HA CYS 39 2.089 0.617 -3.112 267 1HB CYS 39 2HB CYS 39 2.191 3.032 -1.733 268 2HB CYS 39 1HB CYS 39 0.523 2.924 -2.285 269 H LYS 40 H LYS 40 1.155 -0.186 -4.920 270 HA LYS 40 HA LYS 40 -0.771 1.526 -6.340 271 1HB LYS 40 2HB LYS 40 1.254 0.054 -7.400 272 2HB LYS 40 1HB LYS 40 -0.068 -1.101 -7.496 273 1HG LYS 40 2HG LYS 40 0.209 0.228 -9.548 274 2HG LYS 40 1HG LYS 40 -1.380 0.431 -8.808 275 1HD LYS 40 2HD LYS 40 0.371 2.392 -7.717 276 2HD LYS 40 1HD LYS 40 0.534 2.424 -9.473 277 1HE LYS 40 2HE LYS 40 -2.182 2.224 -9.116 278 2HE LYS 40 1HE LYS 40 -1.690 3.260 -7.777 279 1HZ LYS 40 1HZ LYS 40 -1.870 4.854 -9.329 280 2HZ LYS 40 2HZ LYS 40 -1.681 3.789 -10.629 281 3HZ LYS 40 3HZ LYS 40 -0.323 4.347 -9.788 282 H CYS 41 H CYS 41 -2.661 0.164 -7.294 283 HA CYS 41 HA CYS 41 -3.790 -1.354 -5.066 284 1HB CYS 41 2HB CYS 41 -4.904 0.338 -7.235 285 2HB CYS 41 1HB CYS 41 -5.890 -0.985 -6.661 286 H ALA 42 H ALA 42 -5.713 -2.804 -6.204 287 HA ALA 42 HA ALA 42 -4.278 -4.625 -8.029 288 1HB ALA 42 1HB ALA 42 -4.871 -5.281 -5.531 289 2HB ALA 42 2HB ALA 42 -4.949 -6.454 -6.847 290 3HB ALA 42 3HB ALA 42 -6.424 -5.679 -6.267 Start of MODEL 14 1 1H ASP 1 1HT ASP 1 -12.158 14.844 -3.678 2 2H ASP 1 2HT ASP 1 -10.970 13.610 -3.572 3 3H ASP 1 3HT ASP 1 -12.166 13.549 -4.801 4 HA ASP 1 HA ASP 1 -11.287 15.374 -5.899 5 1HB ASP 1 2HB ASP 1 -9.551 15.647 -3.436 6 2HB ASP 1 1HB ASP 1 -9.298 16.565 -4.917 7 H ARG 2 H ARG 2 -8.944 13.547 -3.918 8 HA ARG 2 HA ARG 2 -8.203 11.753 -5.931 9 1HB ARG 2 2HB ARG 2 -7.293 13.713 -7.066 10 2HB ARG 2 1HB ARG 2 -6.347 14.120 -5.641 11 1HG ARG 2 2HG ARG 2 -4.687 12.985 -6.584 12 2HG ARG 2 1HG ARG 2 -5.594 11.524 -6.188 13 1HD ARG 2 2HD ARG 2 -5.093 11.349 -8.481 14 2HD ARG 2 1HD ARG 2 -6.786 11.839 -8.405 15 HE ARG 2 HE ARG 2 -5.075 14.096 -8.609 16 1HH1 ARG 2 1HH1 ARG 2 -6.461 11.500 -10.484 17 2HH1 ARG 2 2HH1 ARG 2 -6.402 12.379 -11.975 18 1HH2 ARG 2 1HH2 ARG 2 -4.996 15.253 -10.569 19 2HH2 ARG 2 2HH2 ARG 2 -5.570 14.508 -12.024 20 H ASP 3 H ASP 3 -7.874 10.148 -4.552 21 HA ASP 3 HA ASP 3 -6.554 10.557 -2.017 22 1HB ASP 3 2HB ASP 3 -8.456 9.011 -2.187 23 2HB ASP 3 1HB ASP 3 -7.552 8.014 -3.321 24 H SER 4 H SER 4 -5.958 8.022 -4.445 25 HA SER 4 HA SER 4 -4.037 7.028 -5.153 26 1HB SER 4 2HB SER 4 -3.869 9.567 -5.925 27 2HB SER 4 1HB SER 4 -2.502 9.564 -4.811 28 HG SER 4 HG SER 4 -2.870 7.706 -6.925 29 H CYS 5 H CYS 5 -3.676 5.661 -3.406 30 HA CYS 5 HA CYS 5 -2.338 6.500 -1.033 31 1HB CYS 5 2HB CYS 5 -3.027 3.813 -2.199 32 2HB CYS 5 1HB CYS 5 -2.059 3.952 -0.736 33 H VAL 6 H VAL 6 -1.240 5.820 -4.165 34 HA VAL 6 HA VAL 6 1.189 4.555 -3.819 35 HB VAL 6 HB VAL 6 0.036 5.348 -5.983 36 1HG1 VAL 6 1HG1 VAL 6 0.024 7.740 -5.455 37 2HG1 VAL 6 2HG1 VAL 6 0.868 7.399 -6.965 38 3HG1 VAL 6 3HG1 VAL 6 1.787 7.749 -5.502 39 1HG2 VAL 6 1HG2 VAL 6 2.916 5.847 -6.300 40 2HG2 VAL 6 2HG2 VAL 6 1.873 4.664 -7.090 41 3HG2 VAL 6 3HG2 VAL 6 2.491 4.350 -5.468 42 H ASP 7 H ASP 7 0.456 8.000 -3.550 43 HA ASP 7 HA ASP 7 3.162 8.505 -2.559 44 1HB ASP 7 2HB ASP 7 1.895 10.952 -2.583 45 2HB ASP 7 1HB ASP 7 2.920 10.320 -3.862 46 H LYS 8 H LYS 8 -0.083 8.182 -1.465 47 HA LYS 8 HA LYS 8 0.146 9.719 0.918 48 1HB LYS 8 2HB LYS 8 -1.979 8.846 -0.305 49 2HB LYS 8 1HB LYS 8 -1.717 7.384 0.636 50 1HG LYS 8 2HG LYS 8 -1.659 8.942 2.673 51 2HG LYS 8 1HG LYS 8 -2.380 10.141 1.597 52 1HD LYS 8 2HD LYS 8 -3.677 7.521 1.486 53 2HD LYS 8 1HD LYS 8 -3.762 8.290 3.072 54 1HE LYS 8 2HE LYS 8 -4.314 10.137 0.891 55 2HE LYS 8 1HE LYS 8 -5.433 8.775 0.928 56 1HZ LYS 8 1HZ LYS 8 -5.908 10.901 2.318 57 2HZ LYS 8 2HZ LYS 8 -4.837 10.202 3.425 58 3HZ LYS 8 3HZ LYS 8 -6.240 9.376 2.970 59 H SER 9 H SER 9 -0.156 6.176 0.599 60 HA SER 9 HA SER 9 1.257 5.865 3.131 61 1HB SER 9 2HB SER 9 -0.911 4.613 2.460 62 2HB SER 9 1HB SER 9 0.152 3.602 1.483 63 HG SER 9 HG SER 9 0.627 4.082 4.230 64 H ARG 10 H ARG 10 3.074 4.488 3.375 65 HA ARG 10 HA ARG 10 4.824 4.503 1.055 66 1HB ARG 10 2HB ARG 10 5.539 5.350 3.315 67 2HB ARG 10 1HB ARG 10 5.450 3.690 3.894 68 1HG ARG 10 2HG ARG 10 7.334 3.070 2.831 69 2HG ARG 10 1HG ARG 10 7.077 4.170 1.477 70 1HD ARG 10 2HD ARG 10 8.130 5.899 2.502 71 2HD ARG 10 1HD ARG 10 7.618 5.400 4.113 72 HE ARG 10 HE ARG 10 9.381 3.487 3.474 73 1HH1 ARG 10 1HH1 ARG 10 9.572 6.969 3.270 74 2HH1 ARG 10 2HH1 ARG 10 11.285 7.011 3.513 75 1HH2 ARG 10 1HH2 ARG 10 11.635 3.547 3.794 76 2HH2 ARG 10 2HH2 ARG 10 12.456 5.071 3.810 77 H CYS 11 H CYS 11 6.255 2.565 0.732 78 HA CYS 11 HA CYS 11 4.978 0.038 1.451 79 1HB CYS 11 2HB CYS 11 4.331 1.027 -0.925 80 2HB CYS 11 1HB CYS 11 5.883 0.334 -1.374 81 H ALA 12 H ALA 12 6.372 -1.850 0.699 82 HA ALA 12 HA ALA 12 9.106 -1.295 1.517 83 1HB ALA 12 1HB ALA 12 8.965 -4.001 1.086 84 2HB ALA 12 2HB ALA 12 7.316 -3.600 1.563 85 3HB ALA 12 3HB ALA 12 8.664 -3.191 2.623 86 H LYS 13 H LYS 13 10.589 -3.188 0.297 87 HA LYS 13 HA LYS 13 11.322 -2.068 -2.113 88 1HB LYS 13 2HB LYS 13 12.476 -3.857 -0.565 89 2HB LYS 13 1HB LYS 13 11.745 -4.992 -1.687 90 1HG LYS 13 2HG LYS 13 12.977 -4.160 -3.504 91 2HG LYS 13 1HG LYS 13 13.448 -2.707 -2.621 92 1HD LYS 13 2HD LYS 13 14.977 -3.872 -1.288 93 2HD LYS 13 1HD LYS 13 14.253 -5.436 -1.667 94 1HE LYS 13 2HE LYS 13 15.339 -5.612 -3.657 95 2HE LYS 13 1HE LYS 13 15.353 -3.871 -3.928 96 1HZ LYS 13 1HZ LYS 13 17.175 -5.477 -2.244 97 2HZ LYS 13 2HZ LYS 13 17.032 -3.804 -2.044 98 3HZ LYS 13 3HZ LYS 13 17.563 -4.437 -3.521 99 H TYR 14 H TYR 14 9.138 -4.810 -1.556 100 HA TYR 14 HA TYR 14 7.457 -4.333 -3.673 101 1HB TYR 14 2HB TYR 14 8.298 -6.286 -5.193 102 2HB TYR 14 1HB TYR 14 8.995 -4.681 -5.367 103 HD1 TYR 14 1HD TYR 14 9.624 -7.559 -3.055 104 HD2 TYR 14 2HD TYR 14 11.243 -4.798 -5.857 105 HE1 TYR 14 1HE TYR 14 11.862 -8.507 -2.686 106 HE2 TYR 14 2HE TYR 14 13.486 -5.739 -5.497 107 HH TYR 14 HH TYR 14 14.002 -8.664 -3.792 108 H GLY 15 H GLY 15 6.022 -6.165 -4.191 109 1HA GLY 15 2HA GLY 15 5.349 -8.446 -3.719 110 2HA GLY 15 1HA GLY 15 6.176 -8.314 -2.175 111 H TYR 16 H TYR 16 4.208 -9.088 -1.221 112 HA TYR 16 HA TYR 16 1.856 -7.415 -1.350 113 1HB TYR 16 2HB TYR 16 1.472 -9.772 -1.232 114 2HB TYR 16 1HB TYR 16 2.522 -9.939 0.166 115 HD1 TYR 16 1HD TYR 16 0.260 -7.095 0.149 116 HD2 TYR 16 2HD TYR 16 0.669 -11.184 1.253 117 HE1 TYR 16 1HE TYR 16 -1.679 -6.879 1.649 118 HE2 TYR 16 2HE TYR 16 -1.270 -10.980 2.748 119 HH TYR 16 HH TYR 16 -2.791 -7.886 3.387 120 H TYR 17 H TYR 17 1.717 -5.616 -0.215 121 HA TYR 17 HA TYR 17 2.959 -5.517 2.456 122 1HB TYR 17 2HB TYR 17 3.785 -3.934 0.559 123 2HB TYR 17 1HB TYR 17 2.285 -3.062 0.855 124 HD1 TYR 17 1HD TYR 17 2.960 -1.057 1.835 125 HD2 TYR 17 2HD TYR 17 4.557 -4.719 3.299 126 HE1 TYR 17 1HE TYR 17 4.035 0.159 3.686 127 HE2 TYR 17 2HE TYR 17 5.632 -3.516 5.154 128 HH TYR 17 HH TYR 17 6.445 -1.097 5.555 129 H GLN 18 H GLN 18 1.268 -6.145 3.707 130 HA GLN 18 HA GLN 18 -1.395 -5.830 3.457 131 1HB GLN 18 2HB GLN 18 0.085 -6.796 5.407 132 2HB GLN 18 1HB GLN 18 -0.236 -5.234 6.142 133 1HG GLN 18 2HG GLN 18 -2.569 -5.619 6.168 134 2HG GLN 18 1HG GLN 18 -2.413 -7.037 5.132 135 1HE2 GLN 18 1HE2 GLN 18 -1.537 -5.754 8.302 136 2HE2 GLN 18 2HE2 GLN 18 -1.531 -7.278 9.116 137 H GLU 19 H GLU 19 0.862 -3.301 4.348 138 HA GLU 19 HA GLU 19 -0.954 -1.399 5.312 139 1HB GLU 19 2HB GLU 19 1.796 -1.501 4.757 140 2HB GLU 19 1HB GLU 19 1.179 -0.165 3.797 141 1HG GLU 19 2HG GLU 19 0.494 1.028 5.655 142 2HG GLU 19 1HG GLU 19 0.452 -0.403 6.683 143 H CYS 20 H CYS 20 0.313 -1.884 2.023 144 HA CYS 20 HA CYS 20 -1.194 0.172 0.819 145 1HB CYS 20 2HB CYS 20 0.832 -1.390 -0.024 146 2HB CYS 20 1HB CYS 20 -0.512 -2.208 -0.813 147 H GLN 21 H GLN 21 -1.811 -3.276 1.285 148 HA GLN 21 HA GLN 21 -4.125 -3.505 -0.261 149 1HB GLN 21 2HB GLN 21 -2.676 -5.124 1.555 150 2HB GLN 21 1HB GLN 21 -4.350 -5.137 2.091 151 1HG GLN 21 2HG GLN 21 -4.317 -5.460 -0.730 152 2HG GLN 21 1HG GLN 21 -3.156 -6.585 -0.026 153 1HE2 GLN 21 1HE2 GLN 21 -6.455 -5.390 0.500 154 2HE2 GLN 21 2HE2 GLN 21 -7.124 -6.921 0.939 155 H ASP 22 H ASP 22 -3.750 -2.654 3.165 156 HA ASP 22 HA ASP 22 -6.497 -2.414 3.737 157 1HB ASP 22 2HB ASP 22 -4.654 -2.585 5.435 158 2HB ASP 22 1HB ASP 22 -4.235 -0.914 5.071 159 H CYS 23 H CYS 23 -4.112 -0.142 2.496 160 HA CYS 23 HA CYS 23 -5.588 2.220 2.716 161 1HB CYS 23 2HB CYS 23 -3.107 1.666 1.910 162 2HB CYS 23 1HB CYS 23 -3.871 1.833 0.340 163 H CYS 24 H CYS 24 -5.149 0.196 -0.175 164 HA CYS 24 HA CYS 24 -7.007 1.470 -1.798 165 1HB CYS 24 2HB CYS 24 -5.240 -0.377 -2.308 166 2HB CYS 24 1HB CYS 24 -6.551 -1.490 -1.949 167 H LYS 25 H LYS 25 -7.455 -1.487 0.142 168 HA LYS 25 HA LYS 25 -10.089 -2.026 -0.373 169 1HB LYS 25 2HB LYS 25 -8.795 -3.535 0.958 170 2HB LYS 25 1HB LYS 25 -8.517 -2.310 2.188 171 1HG LYS 25 2HG LYS 25 -11.322 -3.088 1.610 172 2HG LYS 25 1HG LYS 25 -10.303 -4.224 2.499 173 1HD LYS 25 2HD LYS 25 -10.090 -1.469 3.450 174 2HD LYS 25 1HD LYS 25 -11.712 -2.144 3.600 175 1HE LYS 25 2HE LYS 25 -10.787 -2.806 5.593 176 2HE LYS 25 1HE LYS 25 -10.433 -4.207 4.584 177 1HZ LYS 25 1HZ LYS 25 -8.437 -2.083 4.627 178 2HZ LYS 25 2HZ LYS 25 -8.231 -3.761 4.579 179 3HZ LYS 25 3HZ LYS 25 -8.599 -2.996 6.043 180 H ASN 26 H ASN 26 -8.820 0.166 2.128 181 HA ASN 26 HA ASN 26 -11.328 0.971 3.129 182 1HB ASN 26 2HB ASN 26 -8.710 1.417 3.835 183 2HB ASN 26 1HB ASN 26 -9.214 3.002 3.261 184 1HD2 ASN 26 1HD2 ASN 26 -9.110 0.963 5.872 185 2HD2 ASN 26 2HD2 ASN 26 -10.278 1.744 6.877 186 H ALA 27 H ALA 27 -9.464 1.964 0.368 187 HA ALA 27 HA ALA 27 -10.753 4.450 -0.090 188 1HB ALA 27 1HB ALA 27 -9.718 2.977 -2.426 189 2HB ALA 27 2HB ALA 27 -8.564 3.278 -1.126 190 3HB ALA 27 3HB ALA 27 -9.402 4.628 -1.891 191 H GLY 28 H GLY 28 -11.474 1.136 -0.949 192 1HA GLY 28 2HA GLY 28 -14.051 1.002 -1.165 193 2HA GLY 28 1HA GLY 28 -13.756 2.027 -2.557 194 H HIS 29 H HIS 29 -11.115 0.149 -2.510 195 HA HIS 29 HA HIS 29 -12.320 -1.749 -4.386 196 1HB HIS 29 2HB HIS 29 -9.382 -1.182 -4.000 197 2HB HIS 29 1HB HIS 29 -10.150 -1.984 -5.364 198 HD1 HIS 29 1HD HIS 29 -11.934 -0.302 -6.686 199 HD2 HIS 29 2HD HIS 29 -8.868 1.431 -4.478 200 HE1 HIS 29 1HE HIS 29 -11.715 2.044 -7.564 201 HE2 HIS 29 2HE HIS 29 -9.817 3.056 -6.253 202 H ASN 30 H ASN 30 -9.837 -3.453 -4.126 203 HA ASN 30 HA ASN 30 -10.688 -4.898 -1.711 204 1HB ASN 30 2HB ASN 30 -9.622 -6.890 -2.881 205 2HB ASN 30 1HB ASN 30 -11.097 -6.259 -3.609 206 1HD2 ASN 30 1HD2 ASN 30 -8.197 -7.458 -4.338 207 2HD2 ASN 30 2HD2 ASN 30 -7.889 -6.657 -5.839 208 H GLY 31 H GLY 31 -7.794 -4.175 -3.671 209 1HA GLY 31 2HA GLY 31 -6.215 -3.578 -1.392 210 2HA GLY 31 1HA GLY 31 -5.881 -5.213 -1.940 211 H GLY 32 H GLY 32 -3.738 -4.652 -2.467 212 1HA GLY 32 2HA GLY 32 -3.450 -3.656 -5.148 213 2HA GLY 32 1HA GLY 32 -2.802 -2.557 -3.942 214 H THR 33 H THR 33 -0.792 -2.988 -5.174 215 HA THR 33 HA THR 33 0.598 -5.290 -4.002 216 HB THR 33 HB THR 33 0.158 -6.060 -6.199 217 HG1 THR 33 1HG THR 33 2.214 -6.557 -5.990 218 1HG2 THR 33 1HG2 THR 33 0.973 -3.331 -7.141 219 2HG2 THR 33 2HG2 THR 33 -0.568 -4.154 -7.375 220 3HG2 THR 33 3HG2 THR 33 0.874 -4.732 -8.207 221 H CYS 34 H CYS 34 2.997 -5.071 -4.174 222 HA CYS 34 HA CYS 34 3.759 -2.256 -3.783 223 1HB CYS 34 2HB CYS 34 4.003 -4.107 -1.941 224 2HB CYS 34 1HB CYS 34 5.437 -4.553 -2.854 225 H MET 35 H MET 35 5.072 -1.338 -5.213 226 HA MET 35 HA MET 35 6.841 -3.051 -6.820 227 1HB MET 35 2HB MET 35 4.826 -1.052 -7.726 228 2HB MET 35 1HB MET 35 6.331 -1.174 -8.628 229 1HG MET 35 2HG MET 35 5.073 -3.750 -8.068 230 2HG MET 35 1HG MET 35 4.095 -2.671 -9.062 231 1HE MET 35 1HE MET 35 4.074 -3.295 -11.435 232 2HE MET 35 2HE MET 35 5.485 -3.002 -12.453 233 3HE MET 35 3HE MET 35 4.861 -1.717 -11.419 234 H PHE 36 H PHE 36 8.675 -2.475 -5.657 235 HA PHE 36 HA PHE 36 10.425 -1.205 -4.943 236 1HB PHE 36 2HB PHE 36 10.848 -1.144 -7.318 237 2HB PHE 36 1HB PHE 36 9.722 0.185 -7.523 238 HD1 PHE 36 1HD PHE 36 12.843 -0.704 -5.744 239 HD2 PHE 36 2HD PHE 36 10.523 2.359 -7.556 240 HE1 PHE 36 1HE PHE 36 14.702 0.879 -5.424 241 HE2 PHE 36 2HE PHE 36 12.373 3.953 -7.244 242 HZ PHE 36 HZ PHE 36 14.466 3.213 -6.176 243 H PHE 37 H PHE 37 8.674 -0.534 -3.266 244 HA PHE 37 HA PHE 37 7.987 1.063 -1.810 245 1HB PHE 37 2HB PHE 37 9.630 3.035 -3.398 246 2HB PHE 37 1HB PHE 37 9.169 3.135 -1.701 247 HD1 PHE 37 1HD PHE 37 9.764 0.254 -0.981 248 HD2 PHE 37 2HD PHE 37 11.980 3.158 -3.161 249 HE1 PHE 37 1HE PHE 37 11.855 -0.873 -0.344 250 HE2 PHE 37 2HE PHE 37 14.078 2.035 -2.531 251 HZ PHE 37 HZ PHE 37 14.016 0.013 -1.122 252 H LYS 38 H LYS 38 6.781 0.712 -4.658 253 HA LYS 38 HA LYS 38 5.262 3.228 -4.717 254 1HB LYS 38 2HB LYS 38 5.415 1.077 -6.836 255 2HB LYS 38 1HB LYS 38 4.593 2.622 -6.981 256 1HG LYS 38 2HG LYS 38 7.522 2.526 -6.397 257 2HG LYS 38 1HG LYS 38 6.924 2.326 -8.046 258 1HD LYS 38 2HD LYS 38 6.142 4.646 -6.295 259 2HD LYS 38 1HD LYS 38 7.550 4.683 -7.357 260 1HE LYS 38 2HE LYS 38 6.145 4.304 -9.290 261 2HE LYS 38 1HE LYS 38 4.725 4.137 -8.258 262 1HZ LYS 38 1HZ LYS 38 6.360 6.599 -8.556 263 2HZ LYS 38 2HZ LYS 38 4.990 6.438 -7.578 264 3HZ LYS 38 3HZ LYS 38 4.845 6.332 -9.259 265 H CYS 39 H CYS 39 3.268 3.233 -3.943 266 HA CYS 39 HA CYS 39 2.013 0.712 -3.224 267 1HB CYS 39 2HB CYS 39 2.113 3.216 -2.025 268 2HB CYS 39 1HB CYS 39 0.468 3.115 -2.643 269 H LYS 40 H LYS 40 1.154 -0.207 -5.028 270 HA LYS 40 HA LYS 40 -0.710 1.418 -6.623 271 1HB LYS 40 2HB LYS 40 1.328 -0.046 -7.564 272 2HB LYS 40 1HB LYS 40 0.094 -1.297 -7.526 273 1HG LYS 40 2HG LYS 40 -1.244 0.749 -8.720 274 2HG LYS 40 1HG LYS 40 0.399 1.000 -9.312 275 1HD LYS 40 2HD LYS 40 0.328 -1.562 -9.783 276 2HD LYS 40 1HD LYS 40 -1.421 -1.343 -9.698 277 1HE LYS 40 2HE LYS 40 -0.660 0.726 -11.315 278 2HE LYS 40 1HE LYS 40 0.481 -0.538 -11.772 279 1HZ LYS 40 1HZ LYS 40 -2.314 -1.323 -11.540 280 2HZ LYS 40 2HZ LYS 40 -1.142 -1.809 -12.659 281 3HZ LYS 40 3HZ LYS 40 -1.920 -0.319 -12.844 282 H CYS 41 H CYS 41 -2.677 0.258 -7.404 283 HA CYS 41 HA CYS 41 -3.782 -1.348 -5.221 284 1HB CYS 41 2HB CYS 41 -4.901 0.572 -7.193 285 2HB CYS 41 1HB CYS 41 -5.937 -0.732 -6.661 286 H ALA 42 H ALA 42 -5.859 -2.583 -6.380 287 HA ALA 42 HA ALA 42 -4.649 -4.290 -8.459 288 1HB ALA 42 1HB ALA 42 -5.928 -5.006 -5.893 289 2HB ALA 42 2HB ALA 42 -4.639 -5.813 -6.785 290 3HB ALA 42 3HB ALA 42 -6.318 -6.020 -7.281 Start of MODEL 15 1 1H ASP 1 1HT ASP 1 -7.691 14.458 2.903 2 2H ASP 1 2HT ASP 1 -6.579 13.315 2.268 3 3H ASP 1 3HT ASP 1 -8.017 12.781 3.038 4 HA ASP 1 HA ASP 1 -9.254 14.022 1.298 5 1HB ASP 1 2HB ASP 1 -6.457 14.482 0.540 6 2HB ASP 1 1HB ASP 1 -7.458 13.909 -0.791 7 H ARG 2 H ARG 2 -9.851 12.826 -0.701 8 HA ARG 2 HA ARG 2 -9.355 9.967 -0.312 9 1HB ARG 2 2HB ARG 2 -11.540 11.533 -1.653 10 2HB ARG 2 1HB ARG 2 -11.320 9.823 -1.998 11 1HG ARG 2 2HG ARG 2 -11.328 9.731 0.677 12 2HG ARG 2 1HG ARG 2 -12.338 11.156 0.427 13 1HD ARG 2 2HD ARG 2 -12.781 8.460 -0.853 14 2HD ARG 2 1HD ARG 2 -13.645 9.067 0.559 15 HE ARG 2 HE ARG 2 -14.076 10.990 -1.286 16 1HH1 ARG 2 1HH1 ARG 2 -14.475 7.523 -1.333 17 2HH1 ARG 2 2HH1 ARG 2 -15.790 7.564 -2.459 18 1HH2 ARG 2 1HH2 ARG 2 -15.806 11.046 -2.767 19 2HH2 ARG 2 2HH2 ARG 2 -16.545 9.564 -3.274 20 H ASP 3 H ASP 3 -7.312 11.519 -1.510 21 HA ASP 3 HA ASP 3 -7.325 11.487 -4.310 22 1HB ASP 3 2HB ASP 3 -5.536 12.246 -2.312 23 2HB ASP 3 1HB ASP 3 -4.686 10.981 -3.195 24 H SER 4 H SER 4 -5.319 9.310 -2.332 25 HA SER 4 HA SER 4 -6.312 6.912 -3.392 26 1HB SER 4 2HB SER 4 -5.433 7.521 -5.516 27 2HB SER 4 1HB SER 4 -3.914 8.064 -4.804 28 HG SER 4 HG SER 4 -4.797 5.385 -4.612 29 H CYS 5 H CYS 5 -2.941 6.877 -3.463 30 HA CYS 5 HA CYS 5 -2.310 6.765 -0.729 31 1HB CYS 5 2HB CYS 5 -3.825 4.679 -1.132 32 2HB CYS 5 1HB CYS 5 -2.386 3.999 -1.885 33 H VAL 6 H VAL 6 -1.613 5.733 -4.004 34 HA VAL 6 HA VAL 6 0.930 4.817 -3.946 35 HB VAL 6 HB VAL 6 0.075 6.921 -5.901 36 1HG1 VAL 6 1HG1 VAL 6 2.246 4.935 -5.760 37 2HG1 VAL 6 2HG1 VAL 6 2.197 6.510 -6.552 38 3HG1 VAL 6 3HG1 VAL 6 1.453 5.111 -7.326 39 1HG2 VAL 6 1HG2 VAL 6 -1.588 5.602 -6.560 40 2HG2 VAL 6 2HG2 VAL 6 -1.130 4.375 -5.379 41 3HG2 VAL 6 3HG2 VAL 6 -0.398 4.372 -6.983 42 H ASP 7 H ASP 7 -0.071 8.149 -3.470 43 HA ASP 7 HA ASP 7 2.726 8.839 -2.844 44 1HB ASP 7 2HB ASP 7 1.470 9.968 -4.862 45 2HB ASP 7 1HB ASP 7 0.722 10.934 -3.593 46 H LYS 8 H LYS 8 0.880 7.683 -1.003 47 HA LYS 8 HA LYS 8 0.723 9.883 0.935 48 1HB LYS 8 2HB LYS 8 -1.529 9.107 -0.185 49 2HB LYS 8 1HB LYS 8 -1.393 7.769 0.947 50 1HG LYS 8 2HG LYS 8 -1.230 9.425 2.792 51 2HG LYS 8 1HG LYS 8 -1.542 10.700 1.613 52 1HD LYS 8 2HD LYS 8 -3.626 10.196 2.626 53 2HD LYS 8 1HD LYS 8 -3.662 9.467 1.019 54 1HE LYS 8 2HE LYS 8 -4.371 7.647 2.140 55 2HE LYS 8 1HE LYS 8 -2.651 7.421 2.459 56 1HZ LYS 8 1HZ LYS 8 -3.362 7.349 4.576 57 2HZ LYS 8 2HZ LYS 8 -4.782 8.214 4.263 58 3HZ LYS 8 3HZ LYS 8 -3.319 9.037 4.462 59 H SER 9 H SER 9 0.428 6.349 0.570 60 HA SER 9 HA SER 9 1.708 6.033 3.194 61 1HB SER 9 2HB SER 9 -0.536 4.893 2.555 62 2HB SER 9 1HB SER 9 0.473 3.785 1.625 63 HG SER 9 HG SER 9 0.212 2.933 3.666 64 H ARG 10 H ARG 10 3.463 4.602 3.468 65 HA ARG 10 HA ARG 10 5.206 4.469 1.160 66 1HB ARG 10 2HB ARG 10 5.981 5.234 3.423 67 2HB ARG 10 1HB ARG 10 5.755 3.585 3.994 68 1HG ARG 10 2HG ARG 10 7.449 2.767 2.550 69 2HG ARG 10 1HG ARG 10 7.557 4.310 1.703 70 1HD ARG 10 2HD ARG 10 8.339 3.739 4.558 71 2HD ARG 10 1HD ARG 10 9.417 4.119 3.216 72 HE ARG 10 HE ARG 10 7.749 6.268 3.363 73 1HH1 ARG 10 1HH1 ARG 10 9.843 4.642 5.632 74 2HH1 ARG 10 2HH1 ARG 10 10.170 6.075 6.548 75 1HH2 ARG 10 1HH2 ARG 10 8.179 8.153 4.565 76 2HH2 ARG 10 2HH2 ARG 10 9.225 8.068 5.943 77 H CYS 11 H CYS 11 6.500 2.463 0.806 78 HA CYS 11 HA CYS 11 5.124 -0.010 1.514 79 1HB CYS 11 2HB CYS 11 4.368 1.030 -0.791 80 2HB CYS 11 1HB CYS 11 5.886 0.347 -1.355 81 H ALA 12 H ALA 12 6.408 -1.943 0.657 82 HA ALA 12 HA ALA 12 9.202 -1.497 1.331 83 1HB ALA 12 1HB ALA 12 7.340 -3.754 1.408 84 2HB ALA 12 2HB ALA 12 8.731 -3.394 2.431 85 3HB ALA 12 3HB ALA 12 8.964 -4.182 0.870 86 H LYS 13 H LYS 13 10.573 -3.379 -0.013 87 HA LYS 13 HA LYS 13 11.208 -2.239 -2.428 88 1HB LYS 13 2HB LYS 13 12.385 -4.115 -1.045 89 2HB LYS 13 1HB LYS 13 11.480 -5.200 -2.088 90 1HG LYS 13 2HG LYS 13 12.584 -4.456 -4.014 91 2HG LYS 13 1HG LYS 13 13.208 -3.019 -3.201 92 1HD LYS 13 2HD LYS 13 14.623 -4.437 -1.789 93 2HD LYS 13 1HD LYS 13 14.001 -5.871 -2.609 94 1HE LYS 13 2HE LYS 13 14.853 -4.846 -4.759 95 2HE LYS 13 1HE LYS 13 15.692 -3.662 -3.757 96 1HZ LYS 13 1HZ LYS 13 16.054 -6.582 -3.411 97 2HZ LYS 13 2HZ LYS 13 17.018 -5.332 -2.801 98 3HZ LYS 13 3HZ LYS 13 17.015 -5.665 -4.459 99 H TYR 14 H TYR 14 9.043 -5.015 -1.906 100 HA TYR 14 HA TYR 14 7.169 -4.351 -3.808 101 1HB TYR 14 2HB TYR 14 7.906 -6.211 -5.541 102 2HB TYR 14 1HB TYR 14 8.478 -4.554 -5.686 103 HD1 TYR 14 1HD TYR 14 9.651 -7.176 -3.321 104 HD2 TYR 14 2HD TYR 14 10.550 -4.815 -6.743 105 HE1 TYR 14 1HE TYR 14 11.971 -7.984 -3.260 106 HE2 TYR 14 2HE TYR 14 12.875 -5.617 -6.692 107 HH TYR 14 HH TYR 14 13.892 -8.213 -5.239 108 H GLY 15 H GLY 15 5.731 -6.194 -4.412 109 1HA GLY 15 2HA GLY 15 5.144 -8.526 -4.042 110 2HA GLY 15 1HA GLY 15 6.024 -8.448 -2.524 111 H TYR 16 H TYR 16 4.552 -8.815 -0.995 112 HA TYR 16 HA TYR 16 1.968 -7.434 -1.160 113 1HB TYR 16 2HB TYR 16 2.200 -9.993 -0.824 114 2HB TYR 16 1HB TYR 16 2.638 -9.584 0.832 115 HD1 TYR 16 1HD TYR 16 0.913 -7.702 1.846 116 HD2 TYR 16 2HD TYR 16 0.011 -10.617 -1.118 117 HE1 TYR 16 1HE TYR 16 -1.469 -7.559 2.441 118 HE2 TYR 16 2HE TYR 16 -2.373 -10.484 -0.531 119 HH TYR 16 HH TYR 16 -3.932 -9.007 0.526 120 H TYR 17 H TYR 17 1.429 -5.867 0.211 121 HA TYR 17 HA TYR 17 2.945 -5.538 2.696 122 1HB TYR 17 2HB TYR 17 3.730 -4.033 0.696 123 2HB TYR 17 1HB TYR 17 2.276 -3.112 1.062 124 HD1 TYR 17 1HD TYR 17 3.074 -1.114 1.964 125 HD2 TYR 17 2HD TYR 17 4.627 -4.803 3.406 126 HE1 TYR 17 1HE TYR 17 4.286 0.094 3.731 127 HE2 TYR 17 2HE TYR 17 5.841 -3.607 5.178 128 HH TYR 17 HH TYR 17 5.187 -0.658 6.187 129 H GLN 18 H GLN 18 1.335 -5.993 4.076 130 HA GLN 18 HA GLN 18 -1.346 -5.728 3.861 131 1HB GLN 18 2HB GLN 18 0.221 -6.527 5.837 132 2HB GLN 18 1HB GLN 18 -0.162 -4.936 6.476 133 1HG GLN 18 2HG GLN 18 -1.833 -6.140 7.427 134 2HG GLN 18 1HG GLN 18 -2.625 -5.678 5.921 135 1HE2 GLN 18 1HE2 GLN 18 -0.287 -8.187 6.840 136 2HE2 GLN 18 2HE2 GLN 18 -1.186 -9.507 6.181 137 H GLU 19 H GLU 19 0.906 -3.122 4.573 138 HA GLU 19 HA GLU 19 -0.928 -1.191 5.432 139 1HB GLU 19 2HB GLU 19 1.775 -1.077 4.152 140 2HB GLU 19 1HB GLU 19 0.852 0.407 4.338 141 1HG GLU 19 2HG GLU 19 0.622 -0.335 6.806 142 2HG GLU 19 1HG GLU 19 1.989 -1.386 6.436 143 H CYS 20 H CYS 20 0.448 -1.615 2.169 144 HA CYS 20 HA CYS 20 -1.162 0.275 0.889 145 1HB CYS 20 2HB CYS 20 0.919 -1.260 0.113 146 2HB CYS 20 1HB CYS 20 -0.397 -2.128 -0.669 147 H GLN 21 H GLN 21 -1.712 -3.123 1.604 148 HA GLN 21 HA GLN 21 -3.966 -3.550 0.004 149 1HB GLN 21 2HB GLN 21 -2.567 -4.932 2.091 150 2HB GLN 21 1HB GLN 21 -4.294 -5.028 2.402 151 1HG GLN 21 2HG GLN 21 -3.541 -5.558 -0.373 152 2HG GLN 21 1HG GLN 21 -2.891 -6.705 0.793 153 1HE2 GLN 21 1HE2 GLN 21 -4.825 -6.936 2.631 154 2HE2 GLN 21 2HE2 GLN 21 -6.275 -7.557 1.928 155 H ASP 22 H ASP 22 -3.849 -2.737 3.477 156 HA ASP 22 HA ASP 22 -6.586 -2.425 3.860 157 1HB ASP 22 2HB ASP 22 -4.372 -0.911 5.257 158 2HB ASP 22 1HB ASP 22 -6.011 -1.143 5.857 159 H CYS 23 H CYS 23 -4.197 -0.180 2.611 160 HA CYS 23 HA CYS 23 -5.687 2.181 2.722 161 1HB CYS 23 2HB CYS 23 -3.182 1.586 1.992 162 2HB CYS 23 1HB CYS 23 -3.912 1.745 0.406 163 H CYS 24 H CYS 24 -5.200 0.012 -0.050 164 HA CYS 24 HA CYS 24 -6.969 1.268 -1.788 165 1HB CYS 24 2HB CYS 24 -5.207 -0.582 -2.213 166 2HB CYS 24 1HB CYS 24 -6.516 -1.696 -1.840 167 H LYS 25 H LYS 25 -7.582 -1.804 -0.063 168 HA LYS 25 HA LYS 25 -10.196 -2.190 -0.682 169 1HB LYS 25 2HB LYS 25 -10.420 -3.502 1.316 170 2HB LYS 25 1HB LYS 25 -8.792 -3.713 0.690 171 1HG LYS 25 2HG LYS 25 -7.949 -2.131 2.354 172 2HG LYS 25 1HG LYS 25 -9.584 -1.937 2.989 173 1HD LYS 25 2HD LYS 25 -9.213 -4.678 2.965 174 2HD LYS 25 1HD LYS 25 -7.641 -4.049 3.462 175 1HE LYS 25 2HE LYS 25 -10.281 -3.326 4.728 176 2HE LYS 25 1HE LYS 25 -9.138 -4.504 5.370 177 1HZ LYS 25 1HZ LYS 25 -8.285 -1.734 4.829 178 2HZ LYS 25 2HZ LYS 25 -7.616 -2.864 5.895 179 3HZ LYS 25 3HZ LYS 25 -9.087 -2.117 6.270 180 H ASN 26 H ASN 26 -9.018 -0.126 1.966 181 HA ASN 26 HA ASN 26 -11.629 0.628 2.823 182 1HB ASN 26 2HB ASN 26 -9.078 0.878 3.848 183 2HB ASN 26 1HB ASN 26 -9.508 2.536 3.450 184 1HD2 ASN 26 1HD2 ASN 26 -10.364 -0.275 5.334 185 2HD2 ASN 26 2HD2 ASN 26 -11.363 0.553 6.475 186 H ALA 27 H ALA 27 -9.470 1.743 0.367 187 HA ALA 27 HA ALA 27 -10.554 4.363 0.075 188 1HB ALA 27 1HB ALA 27 -8.572 2.706 -1.279 189 2HB ALA 27 2HB ALA 27 -8.605 4.450 -1.018 190 3HB ALA 27 3HB ALA 27 -9.481 3.746 -2.377 191 H GLY 28 H GLY 28 -11.409 1.210 -1.120 192 1HA GLY 28 2HA GLY 28 -13.899 1.193 -1.654 193 2HA GLY 28 1HA GLY 28 -13.464 2.412 -2.838 194 H HIS 29 H HIS 29 -11.442 -0.357 -2.107 195 HA HIS 29 HA HIS 29 -12.308 -1.673 -4.573 196 1HB HIS 29 2HB HIS 29 -9.387 -1.233 -3.965 197 2HB HIS 29 1HB HIS 29 -10.097 -1.855 -5.449 198 HD1 HIS 29 1HD HIS 29 -11.835 0.064 -6.582 199 HD2 HIS 29 2HD HIS 29 -8.672 1.355 -4.217 200 HE1 HIS 29 1HE HIS 29 -11.467 2.471 -7.207 201 HE2 HIS 29 2HE HIS 29 -9.489 3.205 -5.830 202 H ASN 30 H ASN 30 -9.988 -3.503 -4.421 203 HA ASN 30 HA ASN 30 -10.961 -5.140 -2.190 204 1HB ASN 30 2HB ASN 30 -10.635 -5.761 -4.865 205 2HB ASN 30 1HB ASN 30 -9.205 -6.467 -4.116 206 1HD2 ASN 30 1HD2 ASN 30 -9.398 -8.355 -3.116 207 2HD2 ASN 30 2HD2 ASN 30 -10.888 -9.151 -2.760 208 H GLY 31 H GLY 31 -7.887 -4.512 -3.915 209 1HA GLY 31 2HA GLY 31 -6.492 -4.092 -1.444 210 2HA GLY 31 1HA GLY 31 -6.117 -5.645 -2.176 211 H GLY 32 H GLY 32 -3.925 -4.766 -2.266 212 1HA GLY 32 2HA GLY 32 -3.458 -3.550 -4.858 213 2HA GLY 32 1HA GLY 32 -2.933 -2.590 -3.484 214 H THR 33 H THR 33 -0.981 -3.140 -5.109 215 HA THR 33 HA THR 33 0.487 -5.325 -3.795 216 HB THR 33 HB THR 33 0.028 -6.207 -5.935 217 HG1 THR 33 1HG THR 33 2.118 -6.601 -5.737 218 1HG2 THR 33 1HG2 THR 33 0.364 -3.432 -6.875 219 2HG2 THR 33 2HG2 THR 33 -0.763 -4.686 -7.396 220 3HG2 THR 33 3HG2 THR 33 0.909 -4.715 -7.955 221 H CYS 34 H CYS 34 2.878 -5.088 -4.022 222 HA CYS 34 HA CYS 34 3.608 -2.259 -3.714 223 1HB CYS 34 2HB CYS 34 3.982 -4.087 -1.883 224 2HB CYS 34 1HB CYS 34 5.365 -4.531 -2.869 225 H MET 35 H MET 35 5.029 -1.310 -5.056 226 HA MET 35 HA MET 35 6.661 -2.998 -6.813 227 1HB MET 35 2HB MET 35 4.578 -1.033 -7.600 228 2HB MET 35 1HB MET 35 6.057 -1.055 -8.550 229 1HG MET 35 2HG MET 35 5.192 -2.716 -9.722 230 2HG MET 35 1HG MET 35 5.346 -3.729 -8.289 231 1HE MET 35 1HE MET 35 3.353 -5.265 -9.267 232 2HE MET 35 2HE MET 35 3.236 -4.190 -10.661 233 3HE MET 35 3HE MET 35 1.787 -4.611 -9.749 234 H PHE 36 H PHE 36 8.585 -2.456 -5.854 235 HA PHE 36 HA PHE 36 10.381 -1.210 -5.209 236 1HB PHE 36 2HB PHE 36 10.626 -1.040 -7.600 237 2HB PHE 36 1HB PHE 36 9.472 0.281 -7.666 238 HD1 PHE 36 1HD PHE 36 12.155 -0.091 -5.172 239 HD2 PHE 36 2HD PHE 36 10.831 1.927 -8.672 240 HE1 PHE 36 1HE PHE 36 14.003 1.518 -4.935 241 HE2 PHE 36 2HE PHE 36 12.674 3.543 -8.444 242 HZ PHE 36 HZ PHE 36 14.263 3.338 -6.574 243 H PHE 37 H PHE 37 8.850 -0.600 -3.337 244 HA PHE 37 HA PHE 37 8.225 0.936 -1.790 245 1HB PHE 37 2HB PHE 37 9.896 2.911 -3.344 246 2HB PHE 37 1HB PHE 37 9.512 2.942 -1.625 247 HD1 PHE 37 1HD PHE 37 9.984 -0.013 -1.106 248 HD2 PHE 37 2HD PHE 37 12.260 2.920 -3.181 249 HE1 PHE 37 1HE PHE 37 12.038 -1.273 -0.620 250 HE2 PHE 37 2HE PHE 37 14.322 1.663 -2.702 251 HZ PHE 37 HZ PHE 37 14.210 -0.440 -1.420 252 H LYS 38 H LYS 38 6.816 0.771 -4.523 253 HA LYS 38 HA LYS 38 5.409 3.351 -4.330 254 1HB LYS 38 2HB LYS 38 5.445 1.461 -6.689 255 2HB LYS 38 1HB LYS 38 4.699 3.050 -6.629 256 1HG LYS 38 2HG LYS 38 7.303 3.575 -5.932 257 2HG LYS 38 1HG LYS 38 7.462 2.305 -7.146 258 1HD LYS 38 2HD LYS 38 7.495 4.328 -8.351 259 2HD LYS 38 1HD LYS 38 5.866 3.684 -8.570 260 1HE LYS 38 2HE LYS 38 4.902 5.319 -7.310 261 2HE LYS 38 1HE LYS 38 6.318 5.508 -6.276 262 1HZ LYS 38 1HZ LYS 38 6.477 6.330 -9.093 263 2HZ LYS 38 2HZ LYS 38 7.317 6.927 -7.753 264 3HZ LYS 38 3HZ LYS 38 5.694 7.341 -7.984 265 H CYS 39 H CYS 39 3.314 3.363 -3.793 266 HA CYS 39 HA CYS 39 2.084 0.824 -3.099 267 1HB CYS 39 2HB CYS 39 2.053 3.371 -1.959 268 2HB CYS 39 1HB CYS 39 0.435 3.168 -2.622 269 H LYS 40 H LYS 40 0.989 -0.214 -4.624 270 HA LYS 40 HA LYS 40 -0.717 1.367 -6.436 271 1HB LYS 40 2HB LYS 40 1.400 -0.077 -7.265 272 2HB LYS 40 1HB LYS 40 0.168 -1.330 -7.295 273 1HG LYS 40 2HG LYS 40 0.330 -0.319 -9.465 274 2HG LYS 40 1HG LYS 40 -1.219 0.112 -8.738 275 1HD LYS 40 2HD LYS 40 0.372 2.161 -7.901 276 2HD LYS 40 1HD LYS 40 1.053 1.810 -9.490 277 1HE LYS 40 2HE LYS 40 -1.842 1.825 -9.546 278 2HE LYS 40 1HE LYS 40 -1.195 3.348 -8.936 279 1HZ LYS 40 1HZ LYS 40 -1.348 3.568 -11.259 280 2HZ LYS 40 2HZ LYS 40 -0.644 2.058 -11.544 281 3HZ LYS 40 3HZ LYS 40 0.296 3.328 -10.941 282 H CYS 41 H CYS 41 -2.609 0.128 -7.282 283 HA CYS 41 HA CYS 41 -3.743 -1.499 -5.128 284 1HB CYS 41 2HB CYS 41 -4.844 0.426 -7.101 285 2HB CYS 41 1HB CYS 41 -5.873 -0.904 -6.618 286 H ALA 42 H ALA 42 -5.781 -2.749 -6.381 287 HA ALA 42 HA ALA 42 -4.383 -4.787 -7.901 288 1HB ALA 42 1HB ALA 42 -7.288 -5.041 -7.460 289 2HB ALA 42 2HB ALA 42 -6.284 -4.973 -6.012 290 3HB ALA 42 3HB ALA 42 -5.995 -6.217 -7.227 Start of MODEL 16 1 1H ASP 1 1HT ASP 1 -9.427 16.736 -5.943 2 2H ASP 1 2HT ASP 1 -10.795 17.417 -5.161 3 3H ASP 1 3HT ASP 1 -11.007 16.312 -6.457 4 HA ASP 1 HA ASP 1 -9.882 15.749 -3.798 5 1HB ASP 1 2HB ASP 1 -11.892 14.346 -3.583 6 2HB ASP 1 1HB ASP 1 -12.319 16.030 -3.869 7 H ARG 2 H ARG 2 -8.593 14.026 -3.667 8 HA ARG 2 HA ARG 2 -8.844 11.673 -5.164 9 1HB ARG 2 2HB ARG 2 -8.079 13.093 -7.021 10 2HB ARG 2 1HB ARG 2 -6.626 13.491 -6.117 11 1HG ARG 2 2HG ARG 2 -5.606 11.638 -6.788 12 2HG ARG 2 1HG ARG 2 -6.980 10.634 -6.323 13 1HD ARG 2 2HD ARG 2 -8.007 10.868 -8.409 14 2HD ARG 2 1HD ARG 2 -7.034 12.277 -8.830 15 HE ARG 2 HE ARG 2 -5.503 9.870 -8.469 16 1HH1 ARG 2 1HH1 ARG 2 -7.343 11.784 -10.734 17 2HH1 ARG 2 2HH1 ARG 2 -6.551 11.126 -12.126 18 1HH2 ARG 2 1HH2 ARG 2 -4.457 9.006 -10.298 19 2HH2 ARG 2 2HH2 ARG 2 -4.911 9.549 -11.879 20 H ASP 3 H ASP 3 -8.320 10.417 -3.517 21 HA ASP 3 HA ASP 3 -6.403 11.065 -1.535 22 1HB ASP 3 2HB ASP 3 -8.432 9.222 -1.757 23 2HB ASP 3 1HB ASP 3 -6.995 8.207 -1.839 24 H SER 4 H SER 4 -6.306 8.237 -3.701 25 HA SER 4 HA SER 4 -4.579 7.155 -4.710 26 1HB SER 4 2HB SER 4 -3.820 10.020 -4.868 27 2HB SER 4 1HB SER 4 -2.536 8.849 -5.176 28 HG SER 4 HG SER 4 -5.058 8.690 -6.446 29 H CYS 5 H CYS 5 -4.036 5.790 -3.026 30 HA CYS 5 HA CYS 5 -2.404 6.562 -0.836 31 1HB CYS 5 2HB CYS 5 -3.152 3.863 -1.961 32 2HB CYS 5 1HB CYS 5 -2.162 4.056 -0.517 33 H VAL 6 H VAL 6 -1.659 5.948 -4.080 34 HA VAL 6 HA VAL 6 0.778 4.647 -4.012 35 HB VAL 6 HB VAL 6 0.202 6.952 -5.834 36 1HG1 VAL 6 1HG1 VAL 6 2.147 4.745 -5.768 37 2HG1 VAL 6 2HG1 VAL 6 2.286 6.361 -6.461 38 3HG1 VAL 6 3HG1 VAL 6 1.429 5.095 -7.340 39 1HG2 VAL 6 1HG2 VAL 6 -1.151 4.375 -5.606 40 2HG2 VAL 6 2HG2 VAL 6 -0.545 4.722 -7.226 41 3HG2 VAL 6 3HG2 VAL 6 -1.651 5.847 -6.438 42 H ASP 7 H ASP 7 0.141 8.124 -3.686 43 HA ASP 7 HA ASP 7 2.918 8.479 -2.782 44 1HB ASP 7 2HB ASP 7 1.672 9.839 -4.755 45 2HB ASP 7 1HB ASP 7 1.263 10.862 -3.381 46 H LYS 8 H LYS 8 0.728 7.462 -1.135 47 HA LYS 8 HA LYS 8 0.785 9.540 0.944 48 1HB LYS 8 2HB LYS 8 -1.481 9.133 -0.320 49 2HB LYS 8 1HB LYS 8 -1.573 7.710 0.708 50 1HG LYS 8 2HG LYS 8 -1.123 9.376 2.638 51 2HG LYS 8 1HG LYS 8 -1.631 10.597 1.470 52 1HD LYS 8 2HD LYS 8 -3.584 10.010 2.651 53 2HD LYS 8 1HD LYS 8 -3.701 9.169 1.104 54 1HE LYS 8 2HE LYS 8 -4.323 7.566 2.693 55 2HE LYS 8 1HE LYS 8 -2.647 7.178 2.303 56 1HZ LYS 8 1HZ LYS 8 -2.175 8.720 4.329 57 2HZ LYS 8 2HZ LYS 8 -2.609 7.104 4.574 58 3HZ LYS 8 3HZ LYS 8 -3.763 8.326 4.762 59 H SER 9 H SER 9 0.135 6.099 0.310 60 HA SER 9 HA SER 9 1.163 5.462 2.986 61 1HB SER 9 2HB SER 9 -1.126 4.617 2.108 62 2HB SER 9 1HB SER 9 -0.170 3.484 1.152 63 HG SER 9 HG SER 9 -0.722 2.552 3.131 64 H ARG 10 H ARG 10 3.287 5.094 2.991 65 HA ARG 10 HA ARG 10 4.882 4.474 0.815 66 1HB ARG 10 2HB ARG 10 5.303 5.022 3.477 67 2HB ARG 10 1HB ARG 10 5.849 3.355 3.344 68 1HG ARG 10 2HG ARG 10 7.402 3.951 1.611 69 2HG ARG 10 1HG ARG 10 6.790 5.604 1.578 70 1HD ARG 10 2HD ARG 10 7.427 5.546 4.125 71 2HD ARG 10 1HD ARG 10 8.501 4.247 3.608 72 HE ARG 10 HE ARG 10 9.072 6.193 1.848 73 1HH1 ARG 10 1HH1 ARG 10 8.846 6.194 5.332 74 2HH1 ARG 10 2HH1 ARG 10 10.012 7.459 5.530 75 1HH2 ARG 10 1HH2 ARG 10 10.608 7.851 2.109 76 2HH2 ARG 10 2HH2 ARG 10 11.013 8.400 3.701 77 H CYS 11 H CYS 11 6.392 2.379 1.031 78 HA CYS 11 HA CYS 11 4.985 -0.051 1.625 79 1HB CYS 11 2HB CYS 11 4.208 0.881 -0.719 80 2HB CYS 11 1HB CYS 11 5.744 0.216 -1.257 81 H ALA 12 H ALA 12 6.335 -1.985 0.746 82 HA ALA 12 HA ALA 12 9.097 -1.459 1.484 83 1HB ALA 12 1HB ALA 12 8.997 -3.485 2.389 84 2HB ALA 12 2HB ALA 12 8.609 -4.206 0.826 85 3HB ALA 12 3HB ALA 12 7.317 -3.603 1.865 86 H LYS 13 H LYS 13 10.636 -3.149 0.185 87 HA LYS 13 HA LYS 13 11.252 -2.018 -2.217 88 1HB LYS 13 2HB LYS 13 12.489 -3.821 -0.800 89 2HB LYS 13 1HB LYS 13 11.668 -4.960 -1.854 90 1HG LYS 13 2HG LYS 13 12.741 -4.076 -3.783 91 2HG LYS 13 1HG LYS 13 13.386 -2.712 -2.866 92 1HD LYS 13 2HD LYS 13 14.396 -4.753 -1.433 93 2HD LYS 13 1HD LYS 13 14.322 -5.510 -3.025 94 1HE LYS 13 2HE LYS 13 16.325 -4.545 -3.331 95 2HE LYS 13 1HE LYS 13 15.382 -3.088 -3.641 96 1HZ LYS 13 1HZ LYS 13 15.705 -2.367 -1.419 97 2HZ LYS 13 2HZ LYS 13 17.225 -2.811 -2.015 98 3HZ LYS 13 3HZ LYS 13 16.397 -3.841 -0.957 99 H TYR 14 H TYR 14 9.150 -4.838 -1.725 100 HA TYR 14 HA TYR 14 7.345 -4.279 -3.717 101 1HB TYR 14 2HB TYR 14 8.184 -6.151 -5.378 102 2HB TYR 14 1HB TYR 14 8.739 -4.490 -5.535 103 HD1 TYR 14 1HD TYR 14 9.823 -7.170 -3.174 104 HD2 TYR 14 2HD TYR 14 10.886 -4.621 -6.408 105 HE1 TYR 14 1HE TYR 14 12.150 -7.943 -3.008 106 HE2 TYR 14 2HE TYR 14 13.217 -5.387 -6.253 107 HH TYR 14 HH TYR 14 14.480 -7.286 -5.413 108 H GLY 15 H GLY 15 5.938 -6.126 -4.281 109 1HA GLY 15 2HA GLY 15 5.366 -8.457 -3.902 110 2HA GLY 15 1HA GLY 15 6.247 -8.369 -2.385 111 H TYR 16 H TYR 16 4.729 -8.826 -0.910 112 HA TYR 16 HA TYR 16 2.136 -7.478 -1.061 113 1HB TYR 16 2HB TYR 16 2.394 -10.001 -0.680 114 2HB TYR 16 1HB TYR 16 2.935 -9.583 0.942 115 HD1 TYR 16 1HD TYR 16 1.285 -7.828 2.158 116 HD2 TYR 16 2HD TYR 16 0.173 -10.545 -0.921 117 HE1 TYR 16 1HE TYR 16 -1.053 -7.716 2.911 118 HE2 TYR 16 2HE TYR 16 -2.168 -10.441 -0.177 119 HH TYR 16 HH TYR 16 -3.219 -8.186 2.291 120 H TYR 17 H TYR 17 1.452 -6.007 0.398 121 HA TYR 17 HA TYR 17 3.025 -5.528 2.811 122 1HB TYR 17 2HB TYR 17 3.682 -4.035 0.720 123 2HB TYR 17 1HB TYR 17 2.255 -3.127 1.209 124 HD1 TYR 17 1HD TYR 17 2.864 -1.201 2.318 125 HD2 TYR 17 2HD TYR 17 5.026 -4.780 3.103 126 HE1 TYR 17 1HE TYR 17 4.198 -0.016 4.011 127 HE2 TYR 17 2HE TYR 17 6.363 -3.606 4.800 128 HH TYR 17 HH TYR 17 7.000 -0.947 5.128 129 H GLN 18 H GLN 18 1.550 -5.747 4.358 130 HA GLN 18 HA GLN 18 -1.186 -5.614 4.139 131 1HB GLN 18 2HB GLN 18 0.477 -6.258 6.134 132 2HB GLN 18 1HB GLN 18 -0.012 -4.666 6.698 133 1HG GLN 18 2HG GLN 18 -2.378 -5.386 6.504 134 2HG GLN 18 1HG GLN 18 -1.805 -7.005 6.102 135 1HE2 GLN 18 1HE2 GLN 18 -3.449 -6.362 8.300 136 2HE2 GLN 18 2HE2 GLN 18 -2.573 -6.722 9.746 137 H GLU 19 H GLU 19 1.081 -2.989 4.550 138 HA GLU 19 HA GLU 19 -0.753 -1.004 5.363 139 1HB GLU 19 2HB GLU 19 2.020 -1.151 4.671 140 2HB GLU 19 1HB GLU 19 1.300 0.206 3.817 141 1HG GLU 19 2HG GLU 19 0.564 1.193 5.857 142 2HG GLU 19 1HG GLU 19 1.014 -0.243 6.776 143 H CYS 20 H CYS 20 0.577 -1.766 2.147 144 HA CYS 20 HA CYS 20 -0.905 0.129 0.717 145 1HB CYS 20 2HB CYS 20 1.081 -1.281 -0.073 146 2HB CYS 20 1HB CYS 20 -0.088 -2.556 -0.383 147 H GLN 21 H GLN 21 -1.544 -3.318 1.259 148 HA GLN 21 HA GLN 21 -3.934 -3.567 -0.110 149 1HB GLN 21 2HB GLN 21 -2.677 -4.966 2.189 150 2HB GLN 21 1HB GLN 21 -4.388 -5.259 1.921 151 1HG GLN 21 2HG GLN 21 -2.328 -5.572 -0.240 152 2HG GLN 21 1HG GLN 21 -2.777 -6.879 0.854 153 1HE2 GLN 21 1HE2 GLN 21 -5.460 -6.590 1.077 154 2HE2 GLN 21 2HE2 GLN 21 -6.219 -6.829 -0.456 155 H ASP 22 H ASP 22 -3.497 -2.770 3.332 156 HA ASP 22 HA ASP 22 -6.163 -2.474 4.028 157 1HB ASP 22 2HB ASP 22 -3.659 -1.183 5.088 158 2HB ASP 22 1HB ASP 22 -5.240 -0.867 5.798 159 H CYS 23 H CYS 23 -3.943 -0.141 2.603 160 HA CYS 23 HA CYS 23 -5.609 2.114 2.797 161 1HB CYS 23 2HB CYS 23 -3.054 1.733 2.076 162 2HB CYS 23 1HB CYS 23 -3.785 1.906 0.493 163 H CYS 24 H CYS 24 -4.938 0.031 0.005 164 HA CYS 24 HA CYS 24 -6.590 1.115 -1.866 165 1HB CYS 24 2HB CYS 24 -5.016 -0.888 -2.054 166 2HB CYS 24 1HB CYS 24 -6.362 -1.865 -1.485 167 H LYS 25 H LYS 25 -7.579 -1.618 0.223 168 HA LYS 25 HA LYS 25 -10.254 -1.660 -0.493 169 1HB LYS 25 2HB LYS 25 -9.242 -2.245 2.287 170 2HB LYS 25 1HB LYS 25 -10.663 -2.919 1.502 171 1HG LYS 25 2HG LYS 25 -9.088 -3.945 -0.185 172 2HG LYS 25 1HG LYS 25 -7.775 -3.479 0.897 173 1HD LYS 25 2HD LYS 25 -10.080 -4.986 2.028 174 2HD LYS 25 1HD LYS 25 -8.903 -5.861 1.046 175 1HE LYS 25 2HE LYS 25 -8.466 -5.829 3.534 176 2HE LYS 25 1HE LYS 25 -7.130 -5.312 2.507 177 1HZ LYS 25 1HZ LYS 25 -7.623 -3.033 2.991 178 2HZ LYS 25 2HZ LYS 25 -7.489 -3.870 4.456 179 3HZ LYS 25 3HZ LYS 25 -9.015 -3.457 3.856 180 H ASN 26 H ASN 26 -8.689 0.219 2.081 181 HA ASN 26 HA ASN 26 -11.000 1.336 3.191 182 1HB ASN 26 2HB ASN 26 -8.311 1.498 3.709 183 2HB ASN 26 1HB ASN 26 -8.671 3.123 3.144 184 1HD2 ASN 26 1HD2 ASN 26 -8.902 0.907 5.707 185 2HD2 ASN 26 2HD2 ASN 26 -9.793 1.904 6.802 186 H ALA 27 H ALA 27 -9.251 2.105 0.288 187 HA ALA 27 HA ALA 27 -10.447 4.698 -0.065 188 1HB ALA 27 1HB ALA 27 -8.236 4.148 -0.996 189 2HB ALA 27 2HB ALA 27 -9.366 4.691 -2.237 190 3HB ALA 27 3HB ALA 27 -8.996 2.975 -2.071 191 H GLY 28 H GLY 28 -11.116 1.419 -1.060 192 1HA GLY 28 2HA GLY 28 -13.619 1.121 -1.372 193 2HA GLY 28 1HA GLY 28 -13.436 2.368 -2.593 194 H HIS 29 H HIS 29 -11.197 -0.266 -1.933 195 HA HIS 29 HA HIS 29 -11.927 -1.483 -4.504 196 1HB HIS 29 2HB HIS 29 -9.231 -0.613 -3.515 197 2HB HIS 29 1HB HIS 29 -9.358 -1.938 -4.664 198 HD1 HIS 29 1HD HIS 29 -11.093 -1.131 -6.802 199 HD2 HIS 29 2HD HIS 29 -8.799 1.703 -4.808 200 HE1 HIS 29 1HE HIS 29 -10.931 0.828 -8.371 201 HE2 HIS 29 2HE HIS 29 -9.468 2.496 -7.177 202 H ASN 30 H ASN 30 -9.760 -3.458 -4.213 203 HA ASN 30 HA ASN 30 -10.846 -5.009 -1.960 204 1HB ASN 30 2HB ASN 30 -10.407 -5.734 -4.805 205 2HB ASN 30 1HB ASN 30 -10.010 -6.962 -3.608 206 1HD2 ASN 30 1HD2 ASN 30 -11.634 -7.872 -2.379 207 2HD2 ASN 30 2HD2 ASN 30 -13.308 -7.684 -2.764 208 H GLY 31 H GLY 31 -8.002 -4.331 -3.959 209 1HA GLY 31 2HA GLY 31 -6.229 -4.530 -1.782 210 2HA GLY 31 1HA GLY 31 -6.183 -6.025 -2.707 211 H GLY 32 H GLY 32 -3.885 -4.996 -2.741 212 1HA GLY 32 2HA GLY 32 -3.572 -3.899 -5.416 213 2HA GLY 32 1HA GLY 32 -2.978 -2.894 -4.103 214 H THR 33 H THR 33 -0.900 -3.123 -5.186 215 HA THR 33 HA THR 33 0.527 -5.451 -4.159 216 HB THR 33 HB THR 33 0.098 -6.195 -6.371 217 HG1 THR 33 1HG THR 33 2.650 -4.973 -6.484 218 1HG2 THR 33 1HG2 THR 33 1.223 -4.437 -8.160 219 2HG2 THR 33 2HG2 THR 33 0.304 -3.392 -7.075 220 3HG2 THR 33 3HG2 THR 33 -0.500 -4.720 -7.914 221 H CYS 34 H CYS 34 2.823 -5.144 -4.019 222 HA CYS 34 HA CYS 34 3.523 -2.322 -3.673 223 1HB CYS 34 2HB CYS 34 3.817 -4.157 -1.861 224 2HB CYS 34 1HB CYS 34 5.223 -4.641 -2.800 225 H MET 35 H MET 35 4.916 -1.309 -4.979 226 HA MET 35 HA MET 35 6.726 -2.904 -6.646 227 1HB MET 35 2HB MET 35 4.581 -1.052 -7.535 228 2HB MET 35 1HB MET 35 6.103 -0.998 -8.415 229 1HG MET 35 2HG MET 35 4.982 -3.680 -7.936 230 2HG MET 35 1HG MET 35 4.074 -2.640 -9.032 231 1HE MET 35 1HE MET 35 6.456 -1.548 -11.598 232 2HE MET 35 2HE MET 35 4.885 -1.444 -10.803 233 3HE MET 35 3HE MET 35 5.183 -2.695 -12.011 234 H PHE 36 H PHE 36 8.578 -2.263 -5.631 235 HA PHE 36 HA PHE 36 10.284 -0.943 -4.921 236 1HB PHE 36 2HB PHE 36 10.548 -0.699 -7.310 237 2HB PHE 36 1HB PHE 36 9.363 0.594 -7.343 238 HD1 PHE 36 1HD PHE 36 12.628 -0.304 -5.858 239 HD2 PHE 36 2HD PHE 36 10.072 2.803 -7.219 240 HE1 PHE 36 1HE PHE 36 14.444 1.324 -5.521 241 HE2 PHE 36 2HE PHE 36 11.877 4.443 -6.886 242 HZ PHE 36 HZ PHE 36 14.069 3.703 -6.037 243 H PHE 37 H PHE 37 8.665 -0.478 -3.079 244 HA PHE 37 HA PHE 37 7.966 0.968 -1.483 245 1HB PHE 37 2HB PHE 37 9.498 3.098 -2.971 246 2HB PHE 37 1HB PHE 37 9.111 3.049 -1.253 247 HD1 PHE 37 1HD PHE 37 9.782 0.128 -0.805 248 HD2 PHE 37 2HD PHE 37 11.852 3.251 -2.819 249 HE1 PHE 37 1HE PHE 37 11.916 -1.004 -0.352 250 HE2 PHE 37 2HE PHE 37 13.994 2.123 -2.372 251 HZ PHE 37 HZ PHE 37 14.025 -0.012 -1.139 252 H LYS 38 H LYS 38 6.646 0.896 -4.335 253 HA LYS 38 HA LYS 38 5.016 3.311 -3.952 254 1HB LYS 38 2HB LYS 38 6.229 2.226 -6.281 255 2HB LYS 38 1HB LYS 38 4.489 2.070 -6.473 256 1HG LYS 38 2HG LYS 38 4.156 4.378 -6.291 257 2HG LYS 38 1HG LYS 38 5.772 4.646 -5.637 258 1HD LYS 38 2HD LYS 38 6.525 3.621 -7.934 259 2HD LYS 38 1HD LYS 38 4.918 4.135 -8.449 260 1HE LYS 38 2HE LYS 38 5.835 6.339 -7.108 261 2HE LYS 38 1HE LYS 38 7.306 5.721 -7.859 262 1HZ LYS 38 1HZ LYS 38 6.413 5.961 -9.978 263 2HZ LYS 38 2HZ LYS 38 5.893 7.358 -9.178 264 3HZ LYS 38 3HZ LYS 38 4.821 6.071 -9.418 265 H CYS 39 H CYS 39 2.853 3.119 -3.654 266 HA CYS 39 HA CYS 39 1.833 0.392 -3.300 267 1HB CYS 39 2HB CYS 39 1.729 1.778 -1.309 268 2HB CYS 39 1HB CYS 39 0.858 3.029 -2.187 269 H LYS 40 H LYS 40 0.704 -0.375 -4.945 270 HA LYS 40 HA LYS 40 -1.104 1.463 -6.380 271 1HB LYS 40 2HB LYS 40 0.949 0.362 -7.595 272 2HB LYS 40 1HB LYS 40 -0.086 -1.058 -7.636 273 1HG LYS 40 2HG LYS 40 -1.744 0.102 -8.906 274 2HG LYS 40 1HG LYS 40 -0.890 1.634 -8.712 275 1HD LYS 40 2HD LYS 40 1.076 0.392 -9.863 276 2HD LYS 40 1HD LYS 40 -0.173 -0.733 -10.397 277 1HE LYS 40 2HE LYS 40 -0.552 2.205 -10.783 278 2HE LYS 40 1HE LYS 40 0.481 1.303 -11.891 279 1HZ LYS 40 1HZ LYS 40 -2.126 0.141 -11.346 280 2HZ LYS 40 2HZ LYS 40 -1.269 0.246 -12.801 281 3HZ LYS 40 3HZ LYS 40 -2.135 1.582 -12.231 282 H CYS 41 H CYS 41 -3.056 0.404 -7.289 283 HA CYS 41 HA CYS 41 -4.058 -1.600 -5.408 284 1HB CYS 41 2HB CYS 41 -5.291 0.587 -7.002 285 2HB CYS 41 1HB CYS 41 -6.269 -0.816 -6.648 286 H ALA 42 H ALA 42 -6.114 -2.699 -6.699 287 HA ALA 42 HA ALA 42 -4.789 -4.360 -8.690 288 1HB ALA 42 1HB ALA 42 -7.605 -4.861 -7.906 289 2HB ALA 42 2HB ALA 42 -6.363 -5.070 -6.672 290 3HB ALA 42 3HB ALA 42 -6.283 -5.996 -8.172 Start of MODEL 17 1 1H ASP 1 1HT ASP 1 -8.017 17.064 -3.064 2 2H ASP 1 2HT ASP 1 -8.523 16.127 -1.718 3 3H ASP 1 3HT ASP 1 -9.575 17.304 -2.391 4 HA ASP 1 HA ASP 1 -10.174 15.062 -3.000 5 1HB ASP 1 2HB ASP 1 -10.329 17.267 -4.444 6 2HB ASP 1 1HB ASP 1 -9.170 16.426 -5.470 7 H ARG 2 H ARG 2 -9.703 13.364 -4.681 8 HA ARG 2 HA ARG 2 -8.415 11.632 -5.377 9 1HB ARG 2 2HB ARG 2 -6.055 13.441 -5.667 10 2HB ARG 2 1HB ARG 2 -6.613 12.153 -6.722 11 1HG ARG 2 2HG ARG 2 -8.579 13.641 -7.285 12 2HG ARG 2 1HG ARG 2 -7.707 14.936 -6.463 13 1HD ARG 2 2HD ARG 2 -7.202 15.125 -8.774 14 2HD ARG 2 1HD ARG 2 -5.769 14.462 -7.990 15 HE ARG 2 HE ARG 2 -7.542 12.464 -9.058 16 1HH1 ARG 2 1HH1 ARG 2 -4.871 14.596 -9.763 17 2HH1 ARG 2 2HH1 ARG 2 -4.291 13.637 -11.083 18 1HH2 ARG 2 1HH2 ARG 2 -6.782 11.202 -10.793 19 2HH2 ARG 2 2HH2 ARG 2 -5.376 11.711 -11.668 20 H ASP 3 H ASP 3 -8.069 10.272 -3.732 21 HA ASP 3 HA ASP 3 -6.404 10.911 -1.499 22 1HB ASP 3 2HB ASP 3 -6.724 8.114 -1.553 23 2HB ASP 3 1HB ASP 3 -7.622 9.272 -0.584 24 H SER 4 H SER 4 -6.087 8.186 -3.777 25 HA SER 4 HA SER 4 -4.262 7.131 -4.632 26 1HB SER 4 2HB SER 4 -3.543 10.013 -4.672 27 2HB SER 4 1HB SER 4 -2.229 8.865 -4.921 28 HG SER 4 HG SER 4 -2.952 8.956 -6.910 29 H CYS 5 H CYS 5 -3.716 5.709 -3.032 30 HA CYS 5 HA CYS 5 -2.289 6.487 -0.682 31 1HB CYS 5 2HB CYS 5 -2.931 3.799 -1.895 32 2HB CYS 5 1HB CYS 5 -2.026 3.976 -0.395 33 H VAL 6 H VAL 6 -1.351 5.795 -3.892 34 HA VAL 6 HA VAL 6 1.124 4.593 -3.627 35 HB VAL 6 HB VAL 6 -0.152 5.266 -5.758 36 1HG1 VAL 6 1HG1 VAL 6 -0.226 7.670 -5.355 37 2HG1 VAL 6 2HG1 VAL 6 0.601 7.296 -6.868 38 3HG1 VAL 6 3HG1 VAL 6 1.535 7.741 -5.440 39 1HG2 VAL 6 1HG2 VAL 6 2.346 4.351 -5.333 40 2HG2 VAL 6 2HG2 VAL 6 2.697 5.830 -6.228 41 3HG2 VAL 6 3HG2 VAL 6 1.650 4.599 -6.934 42 H ASP 7 H ASP 7 0.332 8.037 -3.477 43 HA ASP 7 HA ASP 7 3.072 8.661 -2.671 44 1HB ASP 7 2HB ASP 7 1.412 9.995 -4.326 45 2HB ASP 7 1HB ASP 7 1.039 10.813 -2.812 46 H LYS 8 H LYS 8 -0.161 8.477 -1.390 47 HA LYS 8 HA LYS 8 0.367 9.916 1.019 48 1HB LYS 8 2HB LYS 8 -1.904 9.282 -0.178 49 2HB LYS 8 1HB LYS 8 -1.796 7.864 0.855 50 1HG LYS 8 2HG LYS 8 -2.392 9.007 2.671 51 2HG LYS 8 1HG LYS 8 -1.309 10.348 2.290 52 1HD LYS 8 2HD LYS 8 -3.303 11.425 2.057 53 2HD LYS 8 1HD LYS 8 -3.144 10.790 0.419 54 1HE LYS 8 2HE LYS 8 -5.204 9.970 0.777 55 2HE LYS 8 1HE LYS 8 -4.355 8.709 1.671 56 1HZ LYS 8 1HZ LYS 8 -4.992 11.119 3.164 57 2HZ LYS 8 2HZ LYS 8 -5.076 9.498 3.637 58 3HZ LYS 8 3HZ LYS 8 -6.316 10.171 2.704 59 H SER 9 H SER 9 -0.128 6.443 0.368 60 HA SER 9 HA SER 9 1.110 5.809 2.938 61 1HB SER 9 2HB SER 9 -0.990 4.677 2.444 62 2HB SER 9 1HB SER 9 -0.327 4.051 0.934 63 HG SER 9 HG SER 9 -0.276 2.840 3.194 64 H ARG 10 H ARG 10 2.945 4.551 3.156 65 HA ARG 10 HA ARG 10 4.693 4.514 0.829 66 1HB ARG 10 2HB ARG 10 5.435 5.443 3.038 67 2HB ARG 10 1HB ARG 10 5.324 3.816 3.699 68 1HG ARG 10 2HG ARG 10 7.175 3.092 2.608 69 2HG ARG 10 1HG ARG 10 6.968 4.216 1.264 70 1HD ARG 10 2HD ARG 10 7.714 5.122 4.033 71 2HD ARG 10 1HD ARG 10 8.919 4.652 2.835 72 HE ARG 10 HE ARG 10 7.051 6.631 1.901 73 1HH1 ARG 10 1HH1 ARG 10 10.072 6.098 3.565 74 2HH1 ARG 10 2HH1 ARG 10 10.692 7.673 3.204 75 1HH2 ARG 10 1HH2 ARG 10 7.867 8.702 1.421 76 2HH2 ARG 10 2HH2 ARG 10 9.441 9.152 1.988 77 H CYS 11 H CYS 11 6.148 2.573 0.591 78 HA CYS 11 HA CYS 11 4.924 0.060 1.419 79 1HB CYS 11 2HB CYS 11 4.128 0.939 -0.942 80 2HB CYS 11 1HB CYS 11 5.684 0.304 -1.460 81 H ALA 12 H ALA 12 6.324 -1.833 0.698 82 HA ALA 12 HA ALA 12 9.082 -1.181 1.344 83 1HB ALA 12 1HB ALA 12 8.980 -3.909 1.044 84 2HB ALA 12 2HB ALA 12 7.352 -3.516 1.598 85 3HB ALA 12 3HB ALA 12 8.751 -3.032 2.557 86 H LYS 13 H LYS 13 10.547 -3.101 0.134 87 HA LYS 13 HA LYS 13 11.186 -2.084 -2.327 88 1HB LYS 13 2HB LYS 13 12.381 -3.854 -0.823 89 2HB LYS 13 1HB LYS 13 11.530 -5.013 -1.830 90 1HG LYS 13 2HG LYS 13 12.689 -4.398 -3.744 91 2HG LYS 13 1HG LYS 13 13.173 -2.843 -3.065 92 1HD LYS 13 2HD LYS 13 14.796 -3.826 -1.684 93 2HD LYS 13 1HD LYS 13 14.110 -5.440 -1.882 94 1HE LYS 13 2HE LYS 13 15.008 -5.702 -3.997 95 2HE LYS 13 1HE LYS 13 15.154 -3.965 -4.262 96 1HZ LYS 13 1HZ LYS 13 16.788 -5.466 -2.292 97 2HZ LYS 13 2HZ LYS 13 17.006 -3.869 -2.801 98 3HZ LYS 13 3HZ LYS 13 17.293 -5.143 -3.875 99 H TYR 14 H TYR 14 9.093 -4.902 -1.711 100 HA TYR 14 HA TYR 14 7.267 -4.356 -3.717 101 1HB TYR 14 2HB TYR 14 8.037 -6.309 -5.294 102 2HB TYR 14 1HB TYR 14 8.696 -4.691 -5.499 103 HD1 TYR 14 1HD TYR 14 9.573 -7.369 -3.047 104 HD2 TYR 14 2HD TYR 14 10.849 -4.961 -6.313 105 HE1 TYR 14 1HE TYR 14 11.845 -8.274 -2.817 106 HE2 TYR 14 2HE TYR 14 13.127 -5.861 -6.093 107 HH TYR 14 HH TYR 14 14.087 -8.204 -5.060 108 H GLY 15 H GLY 15 5.847 -6.232 -4.239 109 1HA GLY 15 2HA GLY 15 5.167 -8.491 -3.735 110 2HA GLY 15 1HA GLY 15 6.070 -8.381 -2.233 111 H TYR 16 H TYR 16 4.177 -9.125 -1.144 112 HA TYR 16 HA TYR 16 1.809 -7.476 -1.168 113 1HB TYR 16 2HB TYR 16 1.441 -9.820 -0.964 114 2HB TYR 16 1HB TYR 16 2.598 -9.960 0.351 115 HD1 TYR 16 1HD TYR 16 0.202 -7.189 0.313 116 HD2 TYR 16 2HD TYR 16 0.971 -11.120 1.747 117 HE1 TYR 16 1HE TYR 16 -1.615 -6.941 1.953 118 HE2 TYR 16 2HE TYR 16 -0.845 -10.884 3.387 119 HH TYR 16 HH TYR 16 -3.061 -9.377 3.476 120 H TYR 17 H TYR 17 1.543 -5.736 0.028 121 HA TYR 17 HA TYR 17 2.949 -5.546 2.608 122 1HB TYR 17 2HB TYR 17 3.837 -4.025 0.753 123 2HB TYR 17 1HB TYR 17 2.307 -3.167 0.864 124 HD1 TYR 17 1HD TYR 17 2.948 -1.072 1.698 125 HD2 TYR 17 2HD TYR 17 4.326 -4.598 3.642 126 HE1 TYR 17 1HE TYR 17 3.856 0.300 3.530 127 HE2 TYR 17 2HE TYR 17 5.233 -3.239 5.478 128 HH TYR 17 HH TYR 17 5.499 0.174 5.280 129 H GLN 18 H GLN 18 1.290 -6.106 3.919 130 HA GLN 18 HA GLN 18 -1.375 -5.781 3.724 131 1HB GLN 18 2HB GLN 18 0.170 -6.678 5.671 132 2HB GLN 18 1HB GLN 18 -0.178 -5.103 6.367 133 1HG GLN 18 2HG GLN 18 -2.261 -5.675 6.916 134 2HG GLN 18 1HG GLN 18 -2.548 -6.473 5.370 135 1HE2 GLN 18 1HE2 GLN 18 -1.705 -6.863 8.666 136 2HE2 GLN 18 2HE2 GLN 18 -1.588 -8.587 8.667 137 H GLU 19 H GLU 19 0.912 -3.229 4.448 138 HA GLU 19 HA GLU 19 -0.906 -1.303 5.394 139 1HB GLU 19 2HB GLU 19 1.782 -1.386 5.139 140 2HB GLU 19 1HB GLU 19 1.383 -0.349 3.777 141 1HG GLU 19 2HG GLU 19 0.878 1.383 5.091 142 2HG GLU 19 1HG GLU 19 0.008 0.376 6.248 143 H CYS 20 H CYS 20 0.364 -1.891 2.126 144 HA CYS 20 HA CYS 20 -1.155 0.144 0.875 145 1HB CYS 20 2HB CYS 20 0.919 -1.391 0.085 146 2HB CYS 20 1HB CYS 20 -0.398 -2.230 -0.728 147 H GLN 21 H GLN 21 -1.696 -3.319 1.344 148 HA GLN 21 HA GLN 21 -3.987 -3.596 -0.230 149 1HB GLN 21 2HB GLN 21 -2.491 -5.219 1.490 150 2HB GLN 21 1HB GLN 21 -4.113 -5.221 2.170 151 1HG GLN 21 2HG GLN 21 -4.372 -5.559 -0.622 152 2HG GLN 21 1HG GLN 21 -3.104 -6.653 -0.072 153 1HE2 GLN 21 1HE2 GLN 21 -6.350 -5.559 0.855 154 2HE2 GLN 21 2HE2 GLN 21 -6.918 -7.112 1.356 155 H ASP 22 H ASP 22 -3.681 -2.808 3.221 156 HA ASP 22 HA ASP 22 -6.436 -2.632 3.755 157 1HB ASP 22 2HB ASP 22 -3.976 -1.558 5.097 158 2HB ASP 22 1HB ASP 22 -5.572 -1.075 5.664 159 H CYS 23 H CYS 23 -4.084 -0.258 2.633 160 HA CYS 23 HA CYS 23 -5.635 2.049 2.869 161 1HB CYS 23 2HB CYS 23 -3.120 1.586 2.117 162 2HB CYS 23 1HB CYS 23 -3.846 1.778 0.533 163 H CYS 24 H CYS 24 -5.061 0.133 -0.073 164 HA CYS 24 HA CYS 24 -6.848 1.395 -1.749 165 1HB CYS 24 2HB CYS 24 -5.134 -0.456 -2.250 166 2HB CYS 24 1HB CYS 24 -6.416 -1.581 -1.823 167 H LYS 25 H LYS 25 -7.497 -1.627 0.039 168 HA LYS 25 HA LYS 25 -10.140 -1.973 -0.568 169 1HB LYS 25 2HB LYS 25 -9.003 -3.650 0.677 170 2HB LYS 25 1HB LYS 25 -8.639 -2.535 1.985 171 1HG LYS 25 2HG LYS 25 -11.489 -3.085 1.343 172 2HG LYS 25 1HG LYS 25 -10.554 -4.316 2.197 173 1HD LYS 25 2HD LYS 25 -10.198 -1.614 3.258 174 2HD LYS 25 1HD LYS 25 -11.854 -2.210 3.371 175 1HE LYS 25 2HE LYS 25 -11.017 -3.030 5.330 176 2HE LYS 25 1HE LYS 25 -10.638 -4.379 4.260 177 1HZ LYS 25 1HZ LYS 25 -8.631 -2.276 4.492 178 2HZ LYS 25 2HZ LYS 25 -8.433 -3.949 4.348 179 3HZ LYS 25 3HZ LYS 25 -8.845 -3.274 5.842 180 H ASN 26 H ASN 26 -8.773 0.172 1.887 181 HA ASN 26 HA ASN 26 -11.290 0.966 2.966 182 1HB ASN 26 2HB ASN 26 -8.639 1.271 3.704 183 2HB ASN 26 1HB ASN 26 -9.132 2.906 3.283 184 1HD2 ASN 26 1HD2 ASN 26 -9.352 0.372 5.555 185 2HD2 ASN 26 2HD2 ASN 26 -10.389 1.165 6.685 186 H ALA 27 H ALA 27 -9.391 1.951 0.250 187 HA ALA 27 HA ALA 27 -10.564 4.544 -0.059 188 1HB ALA 27 1HB ALA 27 -8.319 3.680 -0.987 189 2HB ALA 27 2HB ALA 27 -9.297 4.742 -2.002 190 3HB ALA 27 3HB ALA 27 -9.293 3.003 -2.292 191 H GLY 28 H GLY 28 -11.318 1.313 -1.127 192 1HA GLY 28 2HA GLY 28 -13.836 1.148 -1.495 193 2HA GLY 28 1HA GLY 28 -13.543 2.359 -2.730 194 H HIS 29 H HIS 29 -11.404 -0.336 -2.008 195 HA HIS 29 HA HIS 29 -12.276 -1.693 -4.453 196 1HB HIS 29 2HB HIS 29 -9.361 -1.188 -3.855 197 2HB HIS 29 1HB HIS 29 -10.053 -1.867 -5.324 198 HD1 HIS 29 1HD HIS 29 -11.855 -0.017 -6.490 199 HD2 HIS 29 2HD HIS 29 -8.699 1.404 -4.191 200 HE1 HIS 29 1HE HIS 29 -11.545 2.380 -7.183 201 HE2 HIS 29 2HE HIS 29 -9.571 3.191 -5.843 202 H ASN 30 H ASN 30 -9.896 -3.481 -4.265 203 HA ASN 30 HA ASN 30 -10.838 -5.093 -1.996 204 1HB ASN 30 2HB ASN 30 -9.712 -5.805 -4.684 205 2HB ASN 30 1HB ASN 30 -9.598 -6.950 -3.350 206 1HD2 ASN 30 1HD2 ASN 30 -12.049 -4.752 -4.688 207 2HD2 ASN 30 2HD2 ASN 30 -13.326 -5.915 -4.699 208 H GLY 31 H GLY 31 -7.840 -4.390 -3.813 209 1HA GLY 31 2HA GLY 31 -6.357 -3.958 -1.412 210 2HA GLY 31 1HA GLY 31 -6.006 -5.533 -2.109 211 H GLY 32 H GLY 32 -3.823 -4.764 -2.371 212 1HA GLY 32 2HA GLY 32 -3.450 -3.565 -4.979 213 2HA GLY 32 1HA GLY 32 -2.847 -2.597 -3.643 214 H THR 33 H THR 33 -0.880 -3.038 -5.111 215 HA THR 33 HA THR 33 0.544 -5.335 -3.964 216 HB THR 33 HB THR 33 0.052 -6.092 -6.152 217 HG1 THR 33 1HG THR 33 2.608 -4.896 -6.378 218 1HG2 THR 33 1HG2 THR 33 0.982 -3.437 -7.218 219 2HG2 THR 33 2HG2 THR 33 -0.685 -4.009 -7.165 220 3HG2 THR 33 3HG2 THR 33 0.497 -4.833 -8.181 221 H CYS 34 H CYS 34 2.912 -5.113 -4.084 222 HA CYS 34 HA CYS 34 3.685 -2.303 -3.717 223 1HB CYS 34 2HB CYS 34 3.989 -4.214 -1.928 224 2HB CYS 34 1HB CYS 34 5.422 -4.585 -2.877 225 H MET 35 H MET 35 4.921 -1.356 -5.194 226 HA MET 35 HA MET 35 6.662 -3.033 -6.871 227 1HB MET 35 2HB MET 35 4.622 -1.014 -7.685 228 2HB MET 35 1HB MET 35 6.086 -1.160 -8.647 229 1HG MET 35 2HG MET 35 4.810 -3.716 -8.035 230 2HG MET 35 1HG MET 35 3.811 -2.621 -8.988 231 1HE MET 35 1HE MET 35 7.736 -4.550 -9.741 232 2HE MET 35 2HE MET 35 6.381 -5.610 -10.130 233 3HE MET 35 3HE MET 35 6.489 -4.865 -8.535 234 H PHE 36 H PHE 36 8.579 -2.485 -5.916 235 HA PHE 36 HA PHE 36 10.343 -1.225 -5.202 236 1HB PHE 36 2HB PHE 36 10.608 -1.141 -7.617 237 2HB PHE 36 1HB PHE 36 9.550 0.256 -7.707 238 HD1 PHE 36 1HD PHE 36 12.800 -0.932 -6.453 239 HD2 PHE 36 2HD PHE 36 10.391 2.437 -7.403 240 HE1 PHE 36 1HE PHE 36 14.760 0.534 -6.190 241 HE2 PHE 36 2HE PHE 36 12.343 3.914 -7.145 242 HZ PHE 36 HZ PHE 36 14.533 2.961 -6.537 243 H PHE 37 H PHE 37 9.014 -0.513 -3.326 244 HA PHE 37 HA PHE 37 8.289 1.067 -1.867 245 1HB PHE 37 2HB PHE 37 9.996 2.950 -3.499 246 2HB PHE 37 1HB PHE 37 9.548 3.117 -1.804 247 HD1 PHE 37 1HD PHE 37 9.981 0.084 -1.230 248 HD2 PHE 37 2HD PHE 37 12.363 3.097 -3.057 249 HE1 PHE 37 1HE PHE 37 12.012 -1.133 -0.569 250 HE2 PHE 37 2HE PHE 37 14.403 1.883 -2.402 251 HZ PHE 37 HZ PHE 37 14.226 -0.238 -1.158 252 H LYS 38 H LYS 38 6.851 0.761 -4.536 253 HA LYS 38 HA LYS 38 5.434 3.342 -4.465 254 1HB LYS 38 2HB LYS 38 6.656 2.349 -6.644 255 2HB LYS 38 1HB LYS 38 5.094 1.560 -6.814 256 1HG LYS 38 2HG LYS 38 4.034 3.822 -6.602 257 2HG LYS 38 1HG LYS 38 5.656 4.511 -6.696 258 1HD LYS 38 2HD LYS 38 5.983 3.555 -8.888 259 2HD LYS 38 1HD LYS 38 4.437 2.711 -8.788 260 1HE LYS 38 2HE LYS 38 3.761 4.516 -9.991 261 2HE LYS 38 1HE LYS 38 3.557 5.183 -8.372 262 1HZ LYS 38 1HZ LYS 38 5.479 5.874 -10.431 263 2HZ LYS 38 2HZ LYS 38 6.105 5.798 -8.861 264 3HZ LYS 38 3HZ LYS 38 4.810 6.832 -9.205 265 H CYS 39 H CYS 39 3.388 3.302 -3.811 266 HA CYS 39 HA CYS 39 2.164 0.734 -3.224 267 1HB CYS 39 2HB CYS 39 2.150 3.254 -1.988 268 2HB CYS 39 1HB CYS 39 0.509 3.016 -2.580 269 H LYS 40 H LYS 40 0.978 -0.227 -4.720 270 HA LYS 40 HA LYS 40 -0.737 1.445 -6.439 271 1HB LYS 40 2HB LYS 40 1.335 0.014 -7.384 272 2HB LYS 40 1HB LYS 40 0.096 -1.233 -7.412 273 1HG LYS 40 2HG LYS 40 -0.297 -0.412 -9.464 274 2HG LYS 40 1HG LYS 40 -1.249 0.781 -8.579 275 1HD LYS 40 2HD LYS 40 0.015 2.307 -9.622 276 2HD LYS 40 1HD LYS 40 1.277 1.845 -8.480 277 1HE LYS 40 2HE LYS 40 2.504 0.849 -10.067 278 2HE LYS 40 1HE LYS 40 1.097 0.079 -10.799 279 1HZ LYS 40 1HZ LYS 40 0.693 2.598 -11.521 280 2HZ LYS 40 2HZ LYS 40 1.576 1.502 -12.458 281 3HZ LYS 40 3HZ LYS 40 2.384 2.600 -11.457 282 H CYS 41 H CYS 41 -2.669 0.260 -7.280 283 HA CYS 41 HA CYS 41 -3.787 -1.392 -5.143 284 1HB CYS 41 2HB CYS 41 -4.902 0.512 -7.132 285 2HB CYS 41 1HB CYS 41 -5.922 -0.813 -6.623 286 H ALA 42 H ALA 42 -5.807 -2.667 -6.364 287 HA ALA 42 HA ALA 42 -4.411 -4.491 -8.204 288 1HB ALA 42 1HB ALA 42 -5.016 -5.900 -6.538 289 2HB ALA 42 2HB ALA 42 -6.527 -5.942 -7.447 290 3HB ALA 42 3HB ALA 42 -6.376 -4.897 -6.033 Start of MODEL 18 1 1H ASP 1 1HT ASP 1 -8.002 18.203 -4.752 2 2H ASP 1 2HT ASP 1 -8.413 16.796 -3.859 3 3H ASP 1 3HT ASP 1 -8.225 16.710 -5.563 4 HA ASP 1 HA ASP 1 -5.892 17.490 -5.176 5 1HB ASP 1 2HB ASP 1 -6.718 16.610 -2.400 6 2HB ASP 1 1HB ASP 1 -5.049 16.857 -2.904 7 H ARG 2 H ARG 2 -7.989 14.859 -4.204 8 HA ARG 2 HA ARG 2 -7.971 12.648 -4.714 9 1HB ARG 2 2HB ARG 2 -6.840 13.705 -6.879 10 2HB ARG 2 1HB ARG 2 -5.459 12.798 -6.289 11 1HG ARG 2 2HG ARG 2 -8.180 11.620 -6.813 12 2HG ARG 2 1HG ARG 2 -6.833 11.580 -7.951 13 1HD ARG 2 2HD ARG 2 -5.793 10.631 -5.535 14 2HD ARG 2 1HD ARG 2 -7.381 9.880 -5.689 15 HE ARG 2 HE ARG 2 -5.703 9.755 -8.047 16 1HH1 ARG 2 1HH1 ARG 2 -6.760 8.151 -5.129 17 2HH1 ARG 2 2HH1 ARG 2 -6.315 6.574 -5.688 18 1HH2 ARG 2 1HH2 ARG 2 -5.118 7.682 -8.779 19 2HH2 ARG 2 2HH2 ARG 2 -5.383 6.307 -7.758 20 H ASP 3 H ASP 3 -7.517 11.418 -3.092 21 HA ASP 3 HA ASP 3 -5.355 11.648 -1.355 22 1HB ASP 3 2HB ASP 3 -7.665 10.219 -1.340 23 2HB ASP 3 1HB ASP 3 -6.492 8.934 -1.618 24 H SER 4 H SER 4 -5.863 8.840 -3.492 25 HA SER 4 HA SER 4 -4.407 7.478 -4.585 26 1HB SER 4 2HB SER 4 -3.858 9.558 -5.802 27 2HB SER 4 1HB SER 4 -2.625 9.926 -4.596 28 HG SER 4 HG SER 4 -2.684 7.710 -6.367 29 H CYS 5 H CYS 5 -4.029 6.038 -2.912 30 HA CYS 5 HA CYS 5 -2.296 6.437 -0.754 31 1HB CYS 5 2HB CYS 5 -3.276 3.945 -2.136 32 2HB CYS 5 1HB CYS 5 -2.205 3.873 -0.740 33 H VAL 6 H VAL 6 -1.657 5.659 -4.067 34 HA VAL 6 HA VAL 6 0.756 4.374 -4.025 35 HB VAL 6 HB VAL 6 0.167 6.659 -5.871 36 1HG1 VAL 6 1HG1 VAL 6 1.421 5.091 -7.462 37 2HG1 VAL 6 2HG1 VAL 6 1.953 4.261 -6.000 38 3HG1 VAL 6 3HG1 VAL 6 2.359 5.960 -6.247 39 1HG2 VAL 6 1HG2 VAL 6 -1.565 5.556 -6.713 40 2HG2 VAL 6 2HG2 VAL 6 -1.366 4.309 -5.481 41 3HG2 VAL 6 3HG2 VAL 6 -0.533 4.160 -7.029 42 H ASP 7 H ASP 7 0.101 7.684 -3.172 43 HA ASP 7 HA ASP 7 2.982 8.120 -2.734 44 1HB ASP 7 2HB ASP 7 1.877 9.652 -4.377 45 2HB ASP 7 1HB ASP 7 0.848 10.236 -3.073 46 H LYS 8 H LYS 8 -0.182 8.128 -1.292 47 HA LYS 8 HA LYS 8 0.456 9.548 1.070 48 1HB LYS 8 2HB LYS 8 -1.848 8.650 -0.016 49 2HB LYS 8 1HB LYS 8 -1.605 7.429 1.224 50 1HG LYS 8 2HG LYS 8 -1.228 10.180 2.153 51 2HG LYS 8 1HG LYS 8 -2.861 9.807 1.597 52 1HD LYS 8 2HD LYS 8 -1.477 7.901 3.427 53 2HD LYS 8 1HD LYS 8 -2.162 9.385 4.092 54 1HE LYS 8 2HE LYS 8 -4.089 8.250 2.350 55 2HE LYS 8 1HE LYS 8 -3.485 6.961 3.390 56 1HZ LYS 8 1HZ LYS 8 -3.843 8.873 5.183 57 2HZ LYS 8 2HZ LYS 8 -5.060 7.777 4.760 58 3HZ LYS 8 3HZ LYS 8 -5.040 9.323 4.074 59 H SER 9 H SER 9 -0.227 6.057 0.797 60 HA SER 9 HA SER 9 1.178 5.511 3.238 61 1HB SER 9 2HB SER 9 -0.869 4.265 2.136 62 2HB SER 9 1HB SER 9 0.399 3.342 1.330 63 HG SER 9 HG SER 9 1.247 2.887 3.431 64 H ARG 10 H ARG 10 2.937 3.954 3.417 65 HA ARG 10 HA ARG 10 4.894 4.342 1.272 66 1HB ARG 10 2HB ARG 10 5.611 5.057 3.479 67 2HB ARG 10 1HB ARG 10 5.226 3.477 4.149 68 1HG ARG 10 2HG ARG 10 7.207 2.658 3.583 69 2HG ARG 10 1HG ARG 10 7.067 3.262 1.932 70 1HD ARG 10 2HD ARG 10 7.787 5.042 4.245 71 2HD ARG 10 1HD ARG 10 9.001 4.150 3.327 72 HE ARG 10 HE ARG 10 7.237 5.739 1.700 73 1HH1 ARG 10 1HH1 ARG 10 10.191 5.729 3.561 74 2HH1 ARG 10 2HH1 ARG 10 10.882 7.065 2.703 75 1HH2 ARG 10 1HH2 ARG 10 8.145 7.496 0.572 76 2HH2 ARG 10 2HH2 ARG 10 9.720 8.069 1.008 77 H CYS 11 H CYS 11 6.052 2.622 0.381 78 HA CYS 11 HA CYS 11 4.931 -0.053 0.904 79 1HB CYS 11 2HB CYS 11 5.065 1.468 -1.555 80 2HB CYS 11 1HB CYS 11 5.930 -0.057 -1.715 81 H ALA 12 H ALA 12 6.378 -1.847 0.341 82 HA ALA 12 HA ALA 12 9.103 -1.248 1.176 83 1HB ALA 12 1HB ALA 12 8.922 -3.987 0.774 84 2HB ALA 12 2HB ALA 12 7.321 -3.527 1.357 85 3HB ALA 12 3HB ALA 12 8.753 -3.136 2.310 86 H LYS 13 H LYS 13 10.670 -3.078 0.010 87 HA LYS 13 HA LYS 13 11.381 -2.050 -2.415 88 1HB LYS 13 2HB LYS 13 12.408 -3.888 -0.772 89 2HB LYS 13 1HB LYS 13 11.786 -4.956 -2.015 90 1HG LYS 13 2HG LYS 13 13.172 -4.025 -3.664 91 2HG LYS 13 1HG LYS 13 13.545 -2.620 -2.665 92 1HD LYS 13 2HD LYS 13 14.431 -5.464 -2.194 93 2HD LYS 13 1HD LYS 13 15.437 -4.105 -2.687 94 1HE LYS 13 2HE LYS 13 15.892 -3.925 -0.498 95 2HE LYS 13 1HE LYS 13 14.320 -3.129 -0.416 96 1HZ LYS 13 1HZ LYS 13 13.473 -5.550 -0.116 97 2HZ LYS 13 2HZ LYS 13 14.128 -4.719 1.205 98 3HZ LYS 13 3HZ LYS 13 15.063 -5.860 0.376 99 H TYR 14 H TYR 14 9.412 -4.969 -1.875 100 HA TYR 14 HA TYR 14 7.593 -4.504 -3.910 101 1HB TYR 14 2HB TYR 14 8.590 -6.522 -5.392 102 2HB TYR 14 1HB TYR 14 8.903 -4.826 -5.734 103 HD1 TYR 14 1HD TYR 14 10.350 -7.205 -3.236 104 HD2 TYR 14 2HD TYR 14 11.063 -4.602 -6.524 105 HE1 TYR 14 1HE TYR 14 12.765 -7.624 -3.036 106 HE2 TYR 14 2HE TYR 14 13.479 -5.012 -6.334 107 HH TYR 14 HH TYR 14 14.947 -6.959 -5.380 108 H GLY 15 H GLY 15 6.038 -6.130 -4.098 109 1HA GLY 15 2HA GLY 15 5.538 -8.541 -3.726 110 2HA GLY 15 1HA GLY 15 6.414 -8.379 -2.213 111 H TYR 16 H TYR 16 4.762 -8.943 -0.861 112 HA TYR 16 HA TYR 16 2.216 -7.542 -1.043 113 1HB TYR 16 2HB TYR 16 2.487 -10.051 -0.564 114 2HB TYR 16 1HB TYR 16 2.982 -9.566 1.052 115 HD1 TYR 16 1HD TYR 16 1.331 -8.054 2.362 116 HD2 TYR 16 2HD TYR 16 0.232 -10.350 -1.047 117 HE1 TYR 16 1HE TYR 16 -1.027 -7.934 3.049 118 HE2 TYR 16 2HE TYR 16 -2.128 -10.240 -0.368 119 HH TYR 16 HH TYR 16 -3.587 -8.816 1.001 120 H TYR 17 H TYR 17 1.299 -6.388 0.714 121 HA TYR 17 HA TYR 17 2.857 -5.729 3.030 122 1HB TYR 17 2HB TYR 17 3.669 -4.285 0.976 123 2HB TYR 17 1HB TYR 17 2.224 -3.346 1.338 124 HD1 TYR 17 1HD TYR 17 2.946 -1.361 2.302 125 HD2 TYR 17 2HD TYR 17 4.666 -5.029 3.605 126 HE1 TYR 17 1HE TYR 17 4.176 -0.155 4.057 127 HE2 TYR 17 2HE TYR 17 5.899 -3.832 5.364 128 HH TYR 17 HH TYR 17 6.728 -1.193 5.560 129 H GLN 18 H GLN 18 1.338 -5.806 4.540 130 HA GLN 18 HA GLN 18 -1.396 -5.650 4.163 131 1HB GLN 18 2HB GLN 18 0.158 -6.297 6.249 132 2HB GLN 18 1HB GLN 18 -0.345 -4.695 6.769 133 1HG GLN 18 2HG GLN 18 -2.511 -5.315 7.064 134 2HG GLN 18 1HG GLN 18 -2.447 -6.544 5.802 135 1HE2 GLN 18 1HE2 GLN 18 -1.011 -5.835 8.970 136 2HE2 GLN 18 2HE2 GLN 18 -1.091 -7.456 9.560 137 H GLU 19 H GLU 19 0.909 -3.071 4.556 138 HA GLU 19 HA GLU 19 -0.858 -1.023 5.336 139 1HB GLU 19 2HB GLU 19 1.840 -1.203 4.948 140 2HB GLU 19 1HB GLU 19 1.359 -0.217 3.574 141 1HG GLU 19 2HG GLU 19 0.823 1.556 4.857 142 2HG GLU 19 1HG GLU 19 0.230 0.558 6.184 143 H CYS 20 H CYS 20 0.572 -1.498 2.098 144 HA CYS 20 HA CYS 20 -1.057 0.253 0.710 145 1HB CYS 20 2HB CYS 20 1.002 -1.067 -0.092 146 2HB CYS 20 1HB CYS 20 -0.127 -2.360 -0.467 147 H GLN 21 H GLN 21 -1.534 -3.200 1.300 148 HA GLN 21 HA GLN 21 -3.861 -3.633 -0.125 149 1HB GLN 21 2HB GLN 21 -2.542 -4.886 2.197 150 2HB GLN 21 1HB GLN 21 -4.263 -5.209 2.062 151 1HG GLN 21 2HG GLN 21 -2.220 -5.716 -0.089 152 2HG GLN 21 1HG GLN 21 -2.897 -6.931 0.991 153 1HE2 GLN 21 1HE2 GLN 21 -5.531 -6.286 1.036 154 2HE2 GLN 21 2HE2 GLN 21 -6.220 -6.470 -0.537 155 H ASP 22 H ASP 22 -3.635 -2.760 3.328 156 HA ASP 22 HA ASP 22 -6.375 -2.487 3.781 157 1HB ASP 22 2HB ASP 22 -3.900 -1.604 5.151 158 2HB ASP 22 1HB ASP 22 -5.379 -0.746 5.580 159 H CYS 23 H CYS 23 -4.001 -0.150 2.626 160 HA CYS 23 HA CYS 23 -5.537 2.166 2.780 161 1HB CYS 23 2HB CYS 23 -3.023 1.643 2.040 162 2HB CYS 23 1HB CYS 23 -3.751 1.831 0.457 163 H CYS 24 H CYS 24 -5.011 0.091 -0.052 164 HA CYS 24 HA CYS 24 -6.749 1.334 -1.804 165 1HB CYS 24 2HB CYS 24 -5.071 -0.569 -2.218 166 2HB CYS 24 1HB CYS 24 -6.378 -1.649 -1.752 167 H LYS 25 H LYS 25 -7.491 -1.658 0.003 168 HA LYS 25 HA LYS 25 -10.138 -1.911 -0.618 169 1HB LYS 25 2HB LYS 25 -10.410 -3.184 1.433 170 2HB LYS 25 1HB LYS 25 -8.864 -3.559 0.684 171 1HG LYS 25 2HG LYS 25 -7.680 -2.266 2.288 172 2HG LYS 25 1HG LYS 25 -9.176 -1.585 2.931 173 1HD LYS 25 2HD LYS 25 -9.031 -4.522 2.949 174 2HD LYS 25 1HD LYS 25 -7.873 -3.711 4.003 175 1HE LYS 25 2HE LYS 25 -10.840 -3.180 3.987 176 2HE LYS 25 1HE LYS 25 -10.026 -4.263 5.114 177 1HZ LYS 25 1HZ LYS 25 -8.958 -1.564 4.920 178 2HZ LYS 25 2HZ LYS 25 -9.165 -2.551 6.277 179 3HZ LYS 25 3HZ LYS 25 -10.484 -1.710 5.636 180 H ASN 26 H ASN 26 -8.735 0.229 1.810 181 HA ASN 26 HA ASN 26 -11.269 1.051 2.868 182 1HB ASN 26 2HB ASN 26 -8.632 1.271 3.687 183 2HB ASN 26 1HB ASN 26 -9.072 2.926 3.284 184 1HD2 ASN 26 1HD2 ASN 26 -9.323 0.417 5.545 185 2HD2 ASN 26 2HD2 ASN 26 -10.412 1.188 6.643 186 H ALA 27 H ALA 27 -9.274 2.004 0.216 187 HA ALA 27 HA ALA 27 -10.333 4.645 -0.087 188 1HB ALA 27 1HB ALA 27 -8.153 3.410 -1.077 189 2HB ALA 27 2HB ALA 27 -8.853 4.868 -1.778 190 3HB ALA 27 3HB ALA 27 -9.235 3.290 -2.465 191 H GLY 28 H GLY 28 -11.200 1.462 -1.219 192 1HA GLY 28 2HA GLY 28 -13.728 1.429 -1.619 193 2HA GLY 28 1HA GLY 28 -13.345 2.617 -2.853 194 H HIS 29 H HIS 29 -11.361 -0.180 -2.079 195 HA HIS 29 HA HIS 29 -12.289 -1.547 -4.488 196 1HB HIS 29 2HB HIS 29 -9.341 -1.145 -4.023 197 2HB HIS 29 1HB HIS 29 -10.146 -1.720 -5.478 198 HD1 HIS 29 1HD HIS 29 -11.930 0.300 -6.422 199 HD2 HIS 29 2HD HIS 29 -8.509 1.396 -4.332 200 HE1 HIS 29 1HE HIS 29 -11.506 2.701 -7.039 201 HE2 HIS 29 2HE HIS 29 -9.388 3.318 -5.822 202 H ASN 30 H ASN 30 -9.927 -3.352 -4.350 203 HA ASN 30 HA ASN 30 -10.792 -4.906 -2.012 204 1HB ASN 30 2HB ASN 30 -11.064 -5.833 -4.388 205 2HB ASN 30 1HB ASN 30 -9.311 -6.003 -4.397 206 1HD2 ASN 30 1HD2 ASN 30 -11.973 -6.672 -2.141 207 2HD2 ASN 30 2HD2 ASN 30 -11.462 -8.275 -1.750 208 H GLY 31 H GLY 31 -7.877 -4.202 -3.949 209 1HA GLY 31 2HA GLY 31 -6.258 -3.634 -1.726 210 2HA GLY 31 1HA GLY 31 -6.034 -5.324 -2.151 211 H GLY 32 H GLY 32 -3.861 -4.949 -2.708 212 1HA GLY 32 2HA GLY 32 -3.424 -4.371 -5.440 213 2HA GLY 32 1HA GLY 32 -2.923 -2.998 -4.465 214 H THR 33 H THR 33 -0.750 -3.245 -5.033 215 HA THR 33 HA THR 33 0.655 -5.224 -3.445 216 HB THR 33 HB THR 33 0.419 -6.487 -5.459 217 HG1 THR 33 1HG THR 33 2.519 -6.512 -4.597 218 1HG2 THR 33 1HG2 THR 33 1.101 -3.939 -6.840 219 2HG2 THR 33 2HG2 THR 33 -0.173 -5.107 -7.193 220 3HG2 THR 33 3HG2 THR 33 1.503 -5.482 -7.593 221 H CYS 34 H CYS 34 2.971 -4.792 -3.305 222 HA CYS 34 HA CYS 34 3.498 -1.939 -3.459 223 1HB CYS 34 2HB CYS 34 4.545 -4.239 -1.897 224 2HB CYS 34 1HB CYS 34 5.656 -2.924 -2.220 225 H MET 35 H MET 35 4.476 -1.185 -5.211 226 HA MET 35 HA MET 35 6.429 -2.895 -6.600 227 1HB MET 35 2HB MET 35 4.371 -0.971 -7.599 228 2HB MET 35 1HB MET 35 5.842 -1.207 -8.535 229 1HG MET 35 2HG MET 35 5.324 -3.378 -9.062 230 2HG MET 35 1HG MET 35 4.292 -3.589 -7.650 231 1HE MET 35 1HE MET 35 4.311 -0.539 -9.890 232 2HE MET 35 2HE MET 35 2.923 -0.728 -10.961 233 3HE MET 35 3HE MET 35 4.394 -1.657 -11.253 234 H PHE 36 H PHE 36 8.374 -2.244 -5.850 235 HA PHE 36 HA PHE 36 10.137 -0.918 -5.291 236 1HB PHE 36 2HB PHE 36 10.248 -0.734 -7.692 237 2HB PHE 36 1HB PHE 36 9.043 0.540 -7.692 238 HD1 PHE 36 1HD PHE 36 12.407 -0.252 -6.370 239 HD2 PHE 36 2HD PHE 36 9.729 2.753 -7.725 240 HE1 PHE 36 1HE PHE 36 14.215 1.414 -6.217 241 HE2 PHE 36 2HE PHE 36 11.524 4.430 -7.579 242 HZ PHE 36 HZ PHE 36 13.772 3.761 -6.824 243 H PHE 37 H PHE 37 8.680 -0.384 -3.346 244 HA PHE 37 HA PHE 37 8.073 1.109 -1.752 245 1HB PHE 37 2HB PHE 37 9.586 3.143 -3.393 246 2HB PHE 37 1HB PHE 37 9.247 3.203 -1.665 247 HD1 PHE 37 1HD PHE 37 9.853 0.242 -1.150 248 HD2 PHE 37 2HD PHE 37 11.956 3.300 -3.231 249 HE1 PHE 37 1HE PHE 37 11.975 -0.912 -0.690 250 HE2 PHE 37 2HE PHE 37 14.084 2.148 -2.778 251 HZ PHE 37 HZ PHE 37 14.093 0.037 -1.506 252 H LYS 38 H LYS 38 6.526 0.924 -4.423 253 HA LYS 38 HA LYS 38 4.981 3.405 -4.051 254 1HB LYS 38 2HB LYS 38 6.091 2.330 -6.400 255 2HB LYS 38 1HB LYS 38 4.361 2.040 -6.518 256 1HG LYS 38 2HG LYS 38 3.940 4.413 -6.145 257 2HG LYS 38 1HG LYS 38 5.675 4.703 -6.019 258 1HD LYS 38 2HD LYS 38 5.851 3.677 -8.344 259 2HD LYS 38 1HD LYS 38 4.096 3.838 -8.426 260 1HE LYS 38 2HE LYS 38 6.121 6.041 -8.075 261 2HE LYS 38 1HE LYS 38 5.092 5.752 -9.477 262 1HZ LYS 38 1HZ LYS 38 4.201 7.530 -8.148 263 2HZ LYS 38 2HZ LYS 38 4.182 6.555 -6.767 264 3HZ LYS 38 3HZ LYS 38 3.157 6.201 -8.064 265 H CYS 39 H CYS 39 2.768 3.252 -3.784 266 HA CYS 39 HA CYS 39 1.787 0.557 -3.174 267 1HB CYS 39 2HB CYS 39 1.640 2.187 -1.358 268 2HB CYS 39 1HB CYS 39 0.697 3.265 -2.380 269 H LYS 40 H LYS 40 1.065 -0.271 -5.081 270 HA LYS 40 HA LYS 40 -0.840 1.339 -6.634 271 1HB LYS 40 2HB LYS 40 1.100 0.405 -7.853 272 2HB LYS 40 1HB LYS 40 0.585 -1.215 -7.406 273 1HG LYS 40 2HG LYS 40 -1.450 -0.958 -8.687 274 2HG LYS 40 1HG LYS 40 -1.022 0.710 -9.075 275 1HD LYS 40 2HD LYS 40 1.059 -0.187 -10.164 276 2HD LYS 40 1HD LYS 40 0.390 -1.806 -9.948 277 1HE LYS 40 2HE LYS 40 -0.254 -1.270 -12.110 278 2HE LYS 40 1HE LYS 40 -1.683 -0.856 -11.164 279 1HZ LYS 40 1HZ LYS 40 0.145 0.872 -12.613 280 2HZ LYS 40 2HZ LYS 40 -0.372 1.456 -11.112 281 3HZ LYS 40 3HZ LYS 40 -1.507 1.060 -12.302 282 H CYS 41 H CYS 41 -2.829 0.391 -7.341 283 HA CYS 41 HA CYS 41 -3.883 -1.529 -5.415 284 1HB CYS 41 2HB CYS 41 -5.047 0.588 -7.160 285 2HB CYS 41 1HB CYS 41 -6.064 -0.753 -6.684 286 H ALA 42 H ALA 42 -5.959 -2.637 -6.686 287 HA ALA 42 HA ALA 42 -5.091 -3.762 -9.222 288 1HB ALA 42 1HB ALA 42 -5.002 -5.240 -6.664 289 2HB ALA 42 2HB ALA 42 -4.040 -5.441 -8.129 290 3HB ALA 42 3HB ALA 42 -5.674 -6.098 -8.050 Start of MODEL 19 1 1H ASP 1 1HT ASP 1 -13.017 13.384 -0.582 2 2H ASP 1 2HT ASP 1 -11.703 12.336 -0.927 3 3H ASP 1 3HT ASP 1 -13.083 12.350 -1.947 4 HA ASP 1 HA ASP 1 -12.611 14.449 -2.753 5 1HB ASP 1 2HB ASP 1 -10.687 14.503 -0.436 6 2HB ASP 1 1HB ASP 1 -10.499 15.605 -1.797 7 H ARG 2 H ARG 2 -9.812 12.592 -1.545 8 HA ARG 2 HA ARG 2 -9.188 11.373 -3.973 9 1HB ARG 2 2HB ARG 2 -8.688 13.637 -4.759 10 2HB ARG 2 1HB ARG 2 -7.568 13.868 -3.425 11 1HG ARG 2 2HG ARG 2 -6.081 13.313 -5.038 12 2HG ARG 2 1HG ARG 2 -6.474 11.688 -4.475 13 1HD ARG 2 2HD ARG 2 -8.288 12.704 -6.532 14 2HD ARG 2 1HD ARG 2 -6.616 12.549 -7.069 15 HE ARG 2 HE ARG 2 -7.473 10.214 -5.700 16 1HH1 ARG 2 1HH1 ARG 2 -7.736 11.884 -8.752 17 2HH1 ARG 2 2HH1 ARG 2 -8.029 10.439 -9.660 18 1HH2 ARG 2 1HH2 ARG 2 -7.859 8.312 -6.892 19 2HH2 ARG 2 2HH2 ARG 2 -8.100 8.410 -8.604 20 H ASP 3 H ASP 3 -8.435 9.591 -3.060 21 HA ASP 3 HA ASP 3 -6.798 9.690 -0.680 22 1HB ASP 3 2HB ASP 3 -6.806 7.047 -1.576 23 2HB ASP 3 1HB ASP 3 -7.838 7.739 -0.334 24 H SER 4 H SER 4 -6.280 7.654 -3.539 25 HA SER 4 HA SER 4 -4.393 7.112 -4.689 26 1HB SER 4 2HB SER 4 -4.637 9.510 -5.364 27 2HB SER 4 1HB SER 4 -3.529 9.943 -4.062 28 HG SER 4 HG SER 4 -2.862 8.083 -6.088 29 H CYS 5 H CYS 5 -3.971 5.716 -2.763 30 HA CYS 5 HA CYS 5 -2.149 6.476 -0.752 31 1HB CYS 5 2HB CYS 5 -2.787 3.721 -1.824 32 2HB CYS 5 1HB CYS 5 -1.926 4.052 -0.325 33 H VAL 6 H VAL 6 -1.672 5.708 -4.052 34 HA VAL 6 HA VAL 6 0.800 4.507 -4.145 35 HB VAL 6 HB VAL 6 0.009 6.738 -5.982 36 1HG1 VAL 6 1HG1 VAL 6 2.057 6.192 -6.755 37 2HG1 VAL 6 2HG1 VAL 6 1.173 4.878 -7.531 38 3HG1 VAL 6 3HG1 VAL 6 2.025 4.593 -6.013 39 1HG2 VAL 6 1HG2 VAL 6 -1.816 5.571 -6.504 40 2HG2 VAL 6 2HG2 VAL 6 -1.301 4.200 -5.523 41 3HG2 VAL 6 3HG2 VAL 6 -0.738 4.354 -7.187 42 H ASP 7 H ASP 7 0.031 7.861 -3.472 43 HA ASP 7 HA ASP 7 2.879 8.328 -2.879 44 1HB ASP 7 2HB ASP 7 1.505 9.592 -4.874 45 2HB ASP 7 1HB ASP 7 1.271 10.708 -3.533 46 H LYS 8 H LYS 8 0.848 7.370 -1.084 47 HA LYS 8 HA LYS 8 0.894 9.577 0.853 48 1HB LYS 8 2HB LYS 8 -1.409 8.914 -0.368 49 2HB LYS 8 1HB LYS 8 -1.443 7.754 0.952 50 1HG LYS 8 2HG LYS 8 -0.756 10.140 2.176 51 2HG LYS 8 1HG LYS 8 -1.957 10.602 0.968 52 1HD LYS 8 2HD LYS 8 -2.386 8.292 2.843 53 2HD LYS 8 1HD LYS 8 -2.814 9.947 3.284 54 1HE LYS 8 2HE LYS 8 -4.397 10.104 1.535 55 2HE LYS 8 1HE LYS 8 -3.795 8.639 0.760 56 1HZ LYS 8 1HZ LYS 8 -5.746 7.998 1.837 57 2HZ LYS 8 2HZ LYS 8 -5.391 8.877 3.236 58 3HZ LYS 8 3HZ LYS 8 -4.520 7.473 2.878 59 H SER 9 H SER 9 0.398 6.091 0.380 60 HA SER 9 HA SER 9 1.418 5.628 3.097 61 1HB SER 9 2HB SER 9 -0.837 4.639 2.093 62 2HB SER 9 1HB SER 9 0.264 3.414 1.461 63 HG SER 9 HG SER 9 -0.515 3.930 4.064 64 H ARG 10 H ARG 10 3.471 5.041 3.296 65 HA ARG 10 HA ARG 10 5.168 4.489 1.140 66 1HB ARG 10 2HB ARG 10 5.724 5.348 3.486 67 2HB ARG 10 1HB ARG 10 5.676 3.663 3.987 68 1HG ARG 10 2HG ARG 10 7.916 4.132 3.594 69 2HG ARG 10 1HG ARG 10 7.390 3.227 2.176 70 1HD ARG 10 2HD ARG 10 7.640 5.000 0.793 71 2HD ARG 10 1HD ARG 10 7.124 6.160 2.016 72 HE ARG 10 HE ARG 10 9.319 6.528 2.492 73 1HH1 ARG 10 1HH1 ARG 10 9.049 3.399 0.971 74 2HH1 ARG 10 2HH1 ARG 10 10.759 3.131 0.933 75 1HH2 ARG 10 1HH2 ARG 10 11.569 6.177 2.445 76 2HH2 ARG 10 2HH2 ARG 10 12.190 4.708 1.770 77 H CYS 11 H CYS 11 6.349 2.537 0.686 78 HA CYS 11 HA CYS 11 5.045 0.055 1.543 79 1HB CYS 11 2HB CYS 11 4.382 1.020 -0.839 80 2HB CYS 11 1HB CYS 11 5.907 0.279 -1.305 81 H ALA 12 H ALA 12 6.401 -1.882 0.685 82 HA ALA 12 HA ALA 12 9.139 -1.397 1.528 83 1HB ALA 12 1HB ALA 12 8.943 -4.087 0.975 84 2HB ALA 12 2HB ALA 12 7.312 -3.667 1.499 85 3HB ALA 12 3HB ALA 12 8.688 -3.335 2.550 86 H LYS 13 H LYS 13 10.657 -3.177 0.242 87 HA LYS 13 HA LYS 13 11.361 -1.991 -2.129 88 1HB LYS 13 2HB LYS 13 12.455 -3.871 -0.597 89 2HB LYS 13 1HB LYS 13 11.816 -4.909 -1.857 90 1HG LYS 13 2HG LYS 13 13.268 -4.142 -3.425 91 2HG LYS 13 1HG LYS 13 13.356 -2.531 -2.710 92 1HD LYS 13 2HD LYS 13 14.644 -5.030 -1.614 93 2HD LYS 13 1HD LYS 13 15.469 -3.725 -2.463 94 1HE LYS 13 2HE LYS 13 15.698 -2.597 -0.567 95 2HE LYS 13 1HE LYS 13 13.953 -2.611 -0.322 96 1HZ LYS 13 1HZ LYS 13 14.534 -5.069 0.444 97 2HZ LYS 13 2HZ LYS 13 14.564 -3.755 1.509 98 3HZ LYS 13 3HZ LYS 13 16.004 -4.325 0.832 99 H TYR 14 H TYR 14 9.314 -4.869 -1.694 100 HA TYR 14 HA TYR 14 7.560 -4.345 -3.751 101 1HB TYR 14 2HB TYR 14 8.540 -6.267 -5.332 102 2HB TYR 14 1HB TYR 14 8.946 -4.570 -5.548 103 HD1 TYR 14 1HD TYR 14 10.294 -6.730 -2.857 104 HD2 TYR 14 2HD TYR 14 11.052 -4.861 -6.603 105 HE1 TYR 14 1HE TYR 14 12.681 -7.277 -2.640 106 HE2 TYR 14 2HE TYR 14 13.440 -5.405 -6.397 107 HH TYR 14 HH TYR 14 14.882 -6.317 -3.567 108 H GLY 15 H GLY 15 6.067 -6.055 -4.160 109 1HA GLY 15 2HA GLY 15 5.564 -8.454 -3.855 110 2HA GLY 15 1HA GLY 15 6.392 -8.342 -2.311 111 H TYR 16 H TYR 16 4.885 -8.723 -0.829 112 HA TYR 16 HA TYR 16 2.266 -7.425 -1.088 113 1HB TYR 16 2HB TYR 16 2.495 -9.940 -0.727 114 2HB TYR 16 1HB TYR 16 3.034 -9.556 0.904 115 HD1 TYR 16 1HD TYR 16 1.391 -7.854 2.176 116 HD2 TYR 16 2HD TYR 16 0.269 -10.439 -1.011 117 HE1 TYR 16 1HE TYR 16 -0.948 -7.757 2.928 118 HE2 TYR 16 2HE TYR 16 -2.073 -10.347 -0.269 119 HH TYR 16 HH TYR 16 -3.540 -8.922 1.029 120 H TYR 17 H TYR 17 1.576 -5.908 0.304 121 HA TYR 17 HA TYR 17 3.080 -5.441 2.775 122 1HB TYR 17 2HB TYR 17 3.715 -3.909 0.718 123 2HB TYR 17 1HB TYR 17 2.240 -3.062 1.168 124 HD1 TYR 17 1HD TYR 17 2.931 -1.051 2.110 125 HD2 TYR 17 2HD TYR 17 4.833 -4.660 3.320 126 HE1 TYR 17 1HE TYR 17 4.168 0.187 3.839 127 HE2 TYR 17 2HE TYR 17 6.074 -3.433 5.052 128 HH TYR 17 HH TYR 17 5.313 -0.206 5.922 129 H GLN 18 H GLN 18 1.637 -5.654 4.340 130 HA GLN 18 HA GLN 18 -1.102 -5.682 4.124 131 1HB GLN 18 2HB GLN 18 0.609 -6.179 6.126 132 2HB GLN 18 1HB GLN 18 0.004 -4.618 6.662 133 1HG GLN 18 2HG GLN 18 -1.586 -5.838 7.650 134 2HG GLN 18 1HG GLN 18 -2.310 -5.864 6.042 135 1HE2 GLN 18 1HE2 GLN 18 -0.516 -7.666 8.410 136 2HE2 GLN 18 2HE2 GLN 18 -0.736 -9.222 7.692 137 H GLU 19 H GLU 19 0.997 -2.908 4.660 138 HA GLU 19 HA GLU 19 -0.970 -1.045 5.381 139 1HB GLU 19 2HB GLU 19 1.807 -0.935 4.381 140 2HB GLU 19 1HB GLU 19 0.844 0.507 4.092 141 1HG GLU 19 2HG GLU 19 0.491 0.861 6.387 142 2HG GLU 19 1HG GLU 19 1.050 -0.758 6.803 143 H CYS 20 H CYS 20 0.523 -1.559 2.179 144 HA CYS 20 HA CYS 20 -1.069 0.198 0.738 145 1HB CYS 20 2HB CYS 20 1.004 -1.112 -0.021 146 2HB CYS 20 1HB CYS 20 -0.103 -2.430 -0.376 147 H GLN 21 H GLN 21 -1.541 -3.280 1.256 148 HA GLN 21 HA GLN 21 -3.871 -3.655 -0.177 149 1HB GLN 21 2HB GLN 21 -2.516 -5.008 2.054 150 2HB GLN 21 1HB GLN 21 -4.245 -5.313 1.972 151 1HG GLN 21 2HG GLN 21 -2.289 -5.748 -0.274 152 2HG GLN 21 1HG GLN 21 -2.933 -7.002 0.783 153 1HE2 GLN 21 1HE2 GLN 21 -5.569 -6.280 0.948 154 2HE2 GLN 21 2HE2 GLN 21 -6.311 -6.422 -0.605 155 H ASP 22 H ASP 22 -3.631 -2.895 3.303 156 HA ASP 22 HA ASP 22 -6.369 -2.670 3.789 157 1HB ASP 22 2HB ASP 22 -3.894 -1.945 5.172 158 2HB ASP 22 1HB ASP 22 -5.239 -0.873 5.552 159 H CYS 23 H CYS 23 -4.041 -0.276 2.661 160 HA CYS 23 HA CYS 23 -5.597 2.020 2.877 161 1HB CYS 23 2HB CYS 23 -3.089 1.541 2.101 162 2HB CYS 23 1HB CYS 23 -3.834 1.740 0.527 163 H CYS 24 H CYS 24 -5.071 0.045 -0.032 164 HA CYS 24 HA CYS 24 -6.853 1.314 -1.713 165 1HB CYS 24 2HB CYS 24 -5.144 -0.560 -2.187 166 2HB CYS 24 1HB CYS 24 -6.451 -1.663 -1.779 167 H LYS 25 H LYS 25 -7.524 -1.726 0.050 168 HA LYS 25 HA LYS 25 -10.179 -2.007 -0.556 169 1HB LYS 25 2HB LYS 25 -10.412 -3.314 1.479 170 2HB LYS 25 1HB LYS 25 -8.868 -3.658 0.714 171 1HG LYS 25 2HG LYS 25 -7.676 -2.434 2.332 172 2HG LYS 25 1HG LYS 25 -9.145 -1.682 2.955 173 1HD LYS 25 2HD LYS 25 -9.107 -4.624 3.023 174 2HD LYS 25 1HD LYS 25 -7.941 -3.828 4.082 175 1HE LYS 25 2HE LYS 25 -10.887 -3.195 4.004 176 2HE LYS 25 1HE LYS 25 -10.137 -4.295 5.158 177 1HZ LYS 25 1HZ LYS 25 -8.975 -1.632 4.946 178 2HZ LYS 25 2HZ LYS 25 -9.214 -2.603 6.311 179 3HZ LYS 25 3HZ LYS 25 -10.507 -1.729 5.657 180 H ASN 26 H ASN 26 -8.747 0.128 1.848 181 HA ASN 26 HA ASN 26 -11.250 0.919 2.993 182 1HB ASN 26 2HB ASN 26 -8.600 1.189 3.725 183 2HB ASN 26 1HB ASN 26 -9.054 2.832 3.289 184 1HD2 ASN 26 1HD2 ASN 26 -9.005 0.582 5.720 185 2HD2 ASN 26 2HD2 ASN 26 -10.148 1.309 6.791 186 H ALA 27 H ALA 27 -9.334 1.919 0.285 187 HA ALA 27 HA ALA 27 -10.454 4.518 -0.027 188 1HB ALA 27 1HB ALA 27 -8.322 3.277 -1.108 189 2HB ALA 27 2HB ALA 27 -9.070 4.718 -1.801 190 3HB ALA 27 3HB ALA 27 -9.476 3.122 -2.434 191 H GLY 28 H GLY 28 -11.333 1.303 -1.099 192 1HA GLY 28 2HA GLY 28 -13.931 1.368 -1.340 193 2HA GLY 28 1HA GLY 28 -13.522 2.393 -2.702 194 H HIS 29 H HIS 29 -11.016 0.412 -2.753 195 HA HIS 29 HA HIS 29 -12.321 -1.391 -4.645 196 1HB HIS 29 2HB HIS 29 -9.357 -1.064 -4.203 197 2HB HIS 29 1HB HIS 29 -10.168 -1.748 -5.606 198 HD1 HIS 29 1HD HIS 29 -11.976 0.252 -6.641 199 HD2 HIS 29 2HD HIS 29 -8.419 1.384 -4.815 200 HE1 HIS 29 1HE HIS 29 -11.495 2.570 -7.487 201 HE2 HIS 29 2HE HIS 29 -9.297 3.204 -6.431 202 H ASN 30 H ASN 30 -9.953 -3.260 -4.374 203 HA ASN 30 HA ASN 30 -10.921 -4.678 -1.985 204 1HB ASN 30 2HB ASN 30 -9.832 -5.750 -4.592 205 2HB ASN 30 1HB ASN 30 -10.130 -6.752 -3.174 206 1HD2 ASN 30 1HD2 ASN 30 -12.314 -6.872 -2.377 207 2HD2 ASN 30 2HD2 ASN 30 -13.635 -6.698 -3.477 208 H GLY 31 H GLY 31 -8.011 -4.127 -3.974 209 1HA GLY 31 2HA GLY 31 -6.348 -3.730 -1.724 210 2HA GLY 31 1HA GLY 31 -6.170 -5.381 -2.297 211 H GLY 32 H GLY 32 -3.968 -4.903 -2.792 212 1HA GLY 32 2HA GLY 32 -3.607 -4.074 -5.502 213 2HA GLY 32 1HA GLY 32 -2.999 -2.872 -4.375 214 H THR 33 H THR 33 -0.886 -3.203 -5.194 215 HA THR 33 HA THR 33 0.466 -5.444 -3.912 216 HB THR 33 HB THR 33 0.101 -6.359 -6.089 217 HG1 THR 33 1HG THR 33 2.711 -5.265 -6.136 218 1HG2 THR 33 1HG2 THR 33 1.281 -4.990 -8.032 219 2HG2 THR 33 2HG2 THR 33 0.740 -3.637 -7.040 220 3HG2 THR 33 3HG2 THR 33 -0.429 -4.811 -7.645 221 H CYS 34 H CYS 34 2.845 -5.173 -3.923 222 HA CYS 34 HA CYS 34 3.513 -2.334 -3.644 223 1HB CYS 34 2HB CYS 34 3.864 -4.093 -1.780 224 2HB CYS 34 1HB CYS 34 5.247 -4.612 -2.734 225 H MET 35 H MET 35 4.870 -1.340 -4.988 226 HA MET 35 HA MET 35 6.650 -2.956 -6.671 227 1HB MET 35 2HB MET 35 4.519 -1.063 -7.522 228 2HB MET 35 1HB MET 35 6.022 -1.057 -8.436 229 1HG MET 35 2HG MET 35 5.668 -3.630 -8.519 230 2HG MET 35 1HG MET 35 3.995 -3.222 -8.143 231 1HE MET 35 1HE MET 35 6.644 -3.657 -10.739 232 2HE MET 35 2HE MET 35 5.631 -3.571 -12.180 233 3HE MET 35 3HE MET 35 5.238 -4.712 -10.894 234 H PHE 36 H PHE 36 8.514 -2.324 -5.637 235 HA PHE 36 HA PHE 36 10.213 -0.987 -4.913 236 1HB PHE 36 2HB PHE 36 10.510 -0.878 -7.323 237 2HB PHE 36 1HB PHE 36 9.385 0.463 -7.421 238 HD1 PHE 36 1HD PHE 36 12.642 -0.554 -6.019 239 HD2 PHE 36 2HD PHE 36 10.141 2.669 -7.207 240 HE1 PHE 36 1HE PHE 36 14.525 1.005 -5.725 241 HE2 PHE 36 2HE PHE 36 12.013 4.239 -6.917 242 HZ PHE 36 HZ PHE 36 14.210 3.407 -6.175 243 H PHE 37 H PHE 37 8.641 -0.393 -3.110 244 HA PHE 37 HA PHE 37 7.871 1.141 -1.633 245 1HB PHE 37 2HB PHE 37 9.454 3.185 -3.185 246 2HB PHE 37 1HB PHE 37 9.039 3.210 -1.474 247 HD1 PHE 37 1HD PHE 37 9.690 0.288 -0.919 248 HD2 PHE 37 2HD PHE 37 11.809 3.353 -2.974 249 HE1 PHE 37 1HE PHE 37 11.814 -0.829 -0.384 250 HE2 PHE 37 2HE PHE 37 13.938 2.238 -2.446 251 HZ PHE 37 HZ PHE 37 13.941 0.142 -1.150 252 H LYS 38 H LYS 38 6.543 0.814 -4.384 253 HA LYS 38 HA LYS 38 4.955 3.294 -4.268 254 1HB LYS 38 2HB LYS 38 5.223 1.449 -6.647 255 2HB LYS 38 1HB LYS 38 4.409 3.005 -6.600 256 1HG LYS 38 2HG LYS 38 6.731 3.933 -5.937 257 2HG LYS 38 1HG LYS 38 7.335 2.412 -6.597 258 1HD LYS 38 2HD LYS 38 7.346 3.504 -8.558 259 2HD LYS 38 1HD LYS 38 5.605 3.214 -8.548 260 1HE LYS 38 2HE LYS 38 5.950 5.499 -6.999 261 2HE LYS 38 1HE LYS 38 7.068 5.703 -8.346 262 1HZ LYS 38 1HZ LYS 38 4.881 4.855 -9.616 263 2HZ LYS 38 2HZ LYS 38 5.247 6.487 -9.368 264 3HZ LYS 38 3HZ LYS 38 4.171 5.696 -8.331 265 H CYS 39 H CYS 39 2.957 3.070 -3.543 266 HA CYS 39 HA CYS 39 1.854 0.405 -3.186 267 1HB CYS 39 2HB CYS 39 1.752 1.919 -1.291 268 2HB CYS 39 1HB CYS 39 0.899 3.119 -2.254 269 H LYS 40 H LYS 40 1.013 -0.362 -5.048 270 HA LYS 40 HA LYS 40 -0.835 1.366 -6.546 271 1HB LYS 40 2HB LYS 40 1.172 0.189 -7.667 272 2HB LYS 40 1HB LYS 40 0.219 -1.281 -7.512 273 1HG LYS 40 2HG LYS 40 -0.037 -0.302 -9.717 274 2HG LYS 40 1HG LYS 40 -1.565 -0.272 -8.834 275 1HD LYS 40 2HD LYS 40 -1.335 2.054 -8.365 276 2HD LYS 40 1HD LYS 40 0.328 2.070 -8.955 277 1HE LYS 40 2HE LYS 40 -0.526 1.484 -11.211 278 2HE LYS 40 1HE LYS 40 -2.169 1.624 -10.588 279 1HZ LYS 40 1HZ LYS 40 -1.642 3.665 -11.619 280 2HZ LYS 40 2HZ LYS 40 -0.144 3.773 -10.842 281 3HZ LYS 40 3HZ LYS 40 -1.571 3.956 -9.954 282 H CYS 41 H CYS 41 -2.830 0.403 -7.342 283 HA CYS 41 HA CYS 41 -3.941 -1.470 -5.392 284 1HB CYS 41 2HB CYS 41 -5.047 0.706 -7.093 285 2HB CYS 41 1HB CYS 41 -6.102 -0.618 -6.662 286 H ALA 42 H ALA 42 -6.062 -2.498 -6.668 287 HA ALA 42 HA ALA 42 -5.008 -3.820 -9.077 288 1HB ALA 42 1HB ALA 42 -6.142 -5.123 -6.622 289 2HB ALA 42 2HB ALA 42 -4.610 -5.444 -7.434 290 3HB ALA 42 3HB ALA 42 -6.127 -5.935 -8.187 Start of MODEL 20 1 1H ASP 1 1HT ASP 1 -8.724 14.042 -7.282 2 2H ASP 1 2HT ASP 1 -8.412 14.896 -5.826 3 3H ASP 1 3HT ASP 1 -9.037 13.299 -5.769 4 HA ASP 1 HA ASP 1 -6.448 13.981 -6.974 5 1HB ASP 1 2HB ASP 1 -7.276 13.603 -4.145 6 2HB ASP 1 1HB ASP 1 -5.792 12.800 -4.645 7 H ARG 2 H ARG 2 -5.318 12.207 -7.664 8 HA ARG 2 HA ARG 2 -6.725 9.623 -7.493 9 1HB ARG 2 2HB ARG 2 -6.155 11.025 -9.764 10 2HB ARG 2 1HB ARG 2 -4.761 9.961 -9.658 11 1HG ARG 2 2HG ARG 2 -5.941 8.250 -10.413 12 2HG ARG 2 1HG ARG 2 -7.155 8.470 -9.153 13 1HD ARG 2 2HD ARG 2 -7.669 10.532 -10.918 14 2HD ARG 2 1HD ARG 2 -7.238 9.185 -11.971 15 HE ARG 2 HE ARG 2 -9.134 8.496 -9.924 16 1HH1 ARG 2 1HH1 ARG 2 -8.738 9.784 -13.143 17 2HH1 ARG 2 2HH1 ARG 2 -10.337 9.352 -13.647 18 1HH2 ARG 2 1HH2 ARG 2 -11.237 7.927 -10.585 19 2HH2 ARG 2 2HH2 ARG 2 -11.757 8.299 -12.195 20 H ASP 3 H ASP 3 -4.828 10.638 -5.582 21 HA ASP 3 HA ASP 3 -2.235 9.666 -5.911 22 1HB ASP 3 2HB ASP 3 -3.550 11.011 -3.935 23 2HB ASP 3 1HB ASP 3 -3.338 9.431 -3.186 24 H SER 4 H SER 4 -5.118 8.067 -4.607 25 HA SER 4 HA SER 4 -5.606 5.883 -4.201 26 1HB SER 4 2HB SER 4 -4.655 5.947 -6.713 27 2HB SER 4 1HB SER 4 -3.449 4.886 -5.985 28 HG SER 4 HG SER 4 -5.327 3.675 -5.162 29 H CYS 5 H CYS 5 -3.376 7.252 -2.722 30 HA CYS 5 HA CYS 5 -2.055 6.717 -0.947 31 1HB CYS 5 2HB CYS 5 -3.755 4.569 -1.087 32 2HB CYS 5 1HB CYS 5 -2.179 3.796 -1.204 33 H VAL 6 H VAL 6 -1.370 6.180 -4.051 34 HA VAL 6 HA VAL 6 0.967 4.563 -3.920 35 HB VAL 6 HB VAL 6 0.421 6.612 -6.032 36 1HG1 VAL 6 1HG1 VAL 6 2.550 4.999 -5.718 37 2HG1 VAL 6 2HG1 VAL 6 1.959 5.546 -7.288 38 3HG1 VAL 6 3HG1 VAL 6 1.505 3.954 -6.680 39 1HG2 VAL 6 1HG2 VAL 6 -1.424 5.565 -6.686 40 2HG2 VAL 6 2HG2 VAL 6 -1.293 4.476 -5.305 41 3HG2 VAL 6 3HG2 VAL 6 -0.526 4.055 -6.837 42 H ASP 7 H ASP 7 0.310 7.964 -3.525 43 HA ASP 7 HA ASP 7 3.176 8.407 -2.999 44 1HB ASP 7 2HB ASP 7 1.981 9.549 -5.069 45 2HB ASP 7 1HB ASP 7 1.425 10.677 -3.836 46 H LYS 8 H LYS 8 1.084 7.591 -1.146 47 HA LYS 8 HA LYS 8 1.138 9.926 0.649 48 1HB LYS 8 2HB LYS 8 -1.138 8.807 -0.392 49 2HB LYS 8 1HB LYS 8 -0.993 7.965 1.144 50 1HG LYS 8 2HG LYS 8 -1.839 9.713 2.196 51 2HG LYS 8 1HG LYS 8 -0.515 10.722 1.611 52 1HD LYS 8 2HD LYS 8 -2.192 10.459 -0.585 53 2HD LYS 8 1HD LYS 8 -3.294 10.638 0.780 54 1HE LYS 8 2HE LYS 8 -2.074 12.660 1.471 55 2HE LYS 8 1HE LYS 8 -1.021 12.489 0.067 56 1HZ LYS 8 1HZ LYS 8 -3.013 12.689 -1.345 57 2HZ LYS 8 2HZ LYS 8 -2.734 14.073 -0.412 58 3HZ LYS 8 3HZ LYS 8 -3.949 12.983 0.034 59 H SER 9 H SER 9 0.659 6.390 0.672 60 HA SER 9 HA SER 9 2.001 6.264 3.270 61 1HB SER 9 2HB SER 9 -0.261 5.078 2.621 62 2HB SER 9 1HB SER 9 0.814 3.864 1.929 63 HG SER 9 HG SER 9 0.125 3.689 4.258 64 H ARG 10 H ARG 10 3.655 4.662 3.656 65 HA ARG 10 HA ARG 10 5.489 4.473 1.421 66 1HB ARG 10 2HB ARG 10 6.259 5.178 3.670 67 2HB ARG 10 1HB ARG 10 5.829 3.590 4.292 68 1HG ARG 10 2HG ARG 10 7.568 2.545 3.208 69 2HG ARG 10 1HG ARG 10 7.716 3.817 1.995 70 1HD ARG 10 2HD ARG 10 8.445 5.329 3.914 71 2HD ARG 10 1HD ARG 10 8.615 3.853 4.863 72 HE ARG 10 HE ARG 10 10.062 3.308 2.656 73 1HH1 ARG 10 1HH1 ARG 10 10.052 6.013 4.862 74 2HH1 ARG 10 2HH1 ARG 10 11.732 6.362 4.638 75 1HH2 ARG 10 1HH2 ARG 10 12.272 3.765 2.362 76 2HH2 ARG 10 2HH2 ARG 10 12.993 5.086 3.219 77 H CYS 11 H CYS 11 6.675 2.421 1.043 78 HA CYS 11 HA CYS 11 5.147 0.005 1.648 79 1HB CYS 11 2HB CYS 11 4.585 1.154 -0.673 80 2HB CYS 11 1HB CYS 11 6.071 0.359 -1.170 81 H ALA 12 H ALA 12 6.384 -1.965 0.692 82 HA ALA 12 HA ALA 12 9.136 -1.721 1.597 83 1HB ALA 12 1HB ALA 12 8.775 -4.354 0.898 84 2HB ALA 12 2HB ALA 12 7.160 -3.858 1.407 85 3HB ALA 12 3HB ALA 12 8.527 -3.672 2.507 86 H LYS 13 H LYS 13 10.613 -3.431 0.268 87 HA LYS 13 HA LYS 13 11.366 -2.196 -2.066 88 1HB LYS 13 2HB LYS 13 12.414 -4.120 -0.551 89 2HB LYS 13 1HB LYS 13 11.796 -5.121 -1.849 90 1HG LYS 13 2HG LYS 13 13.268 -4.295 -3.382 91 2HG LYS 13 1HG LYS 13 13.398 -2.732 -2.573 92 1HD LYS 13 2HD LYS 13 14.596 -5.335 -1.624 93 2HD LYS 13 1HD LYS 13 15.468 -3.995 -2.365 94 1HE LYS 13 2HE LYS 13 15.730 -3.063 -0.370 95 2HE LYS 13 1HE LYS 13 13.979 -2.943 -0.202 96 1HZ LYS 13 1HZ LYS 13 15.508 -4.337 1.454 97 2HZ LYS 13 2HZ LYS 13 15.142 -5.553 0.337 98 3HZ LYS 13 3HZ LYS 13 13.894 -4.736 1.136 99 H TYR 14 H TYR 14 9.307 -5.075 -1.719 100 HA TYR 14 HA TYR 14 7.622 -4.476 -3.844 101 1HB TYR 14 2HB TYR 14 8.604 -6.513 -5.307 102 2HB TYR 14 1HB TYR 14 9.034 -4.831 -5.589 103 HD1 TYR 14 1HD TYR 14 10.229 -7.044 -2.847 104 HD2 TYR 14 2HD TYR 14 11.203 -5.013 -6.456 105 HE1 TYR 14 1HE TYR 14 12.601 -7.599 -2.512 106 HE2 TYR 14 2HE TYR 14 13.577 -5.564 -6.131 107 HH TYR 14 HH TYR 14 14.942 -7.208 -4.951 108 H GLY 15 H GLY 15 6.035 -6.082 -4.223 109 1HA GLY 15 2HA GLY 15 5.430 -8.473 -3.886 110 2HA GLY 15 1HA GLY 15 6.161 -8.325 -2.297 111 H TYR 16 H TYR 16 4.535 -8.575 -0.906 112 HA TYR 16 HA TYR 16 2.064 -7.044 -1.361 113 1HB TYR 16 2HB TYR 16 1.975 -9.587 -1.142 114 2HB TYR 16 1HB TYR 16 2.386 -9.352 0.553 115 HD1 TYR 16 1HD TYR 16 0.825 -7.885 1.957 116 HD2 TYR 16 2HD TYR 16 -0.246 -9.440 -1.855 117 HE1 TYR 16 1HE TYR 16 -1.550 -7.535 2.489 118 HE2 TYR 16 2HE TYR 16 -2.625 -9.094 -1.335 119 HH TYR 16 HH TYR 16 -3.947 -7.500 0.261 120 H TYR 17 H TYR 17 1.425 -5.534 0.058 121 HA TYR 17 HA TYR 17 2.810 -5.350 2.641 122 1HB TYR 17 2HB TYR 17 3.636 -3.736 0.751 123 2HB TYR 17 1HB TYR 17 2.152 -2.858 1.104 124 HD1 TYR 17 1HD TYR 17 2.924 -0.885 2.095 125 HD2 TYR 17 2HD TYR 17 4.404 -4.623 3.485 126 HE1 TYR 17 1HE TYR 17 4.047 0.260 3.959 127 HE2 TYR 17 2HE TYR 17 5.527 -3.490 5.355 128 HH TYR 17 HH TYR 17 6.341 -1.311 5.966 129 H GLN 18 H GLN 18 1.254 -5.700 4.081 130 HA GLN 18 HA GLN 18 -1.456 -5.530 3.777 131 1HB GLN 18 2HB GLN 18 0.088 -6.318 5.785 132 2HB GLN 18 1HB GLN 18 -0.344 -4.738 6.424 133 1HG GLN 18 2HG GLN 18 -2.613 -6.270 5.405 134 2HG GLN 18 1HG GLN 18 -1.780 -7.024 6.765 135 1HE2 GLN 18 1HE2 GLN 18 -3.691 -6.672 7.993 136 2HE2 GLN 18 2HE2 GLN 18 -4.030 -5.119 8.668 137 H GLU 19 H GLU 19 0.765 -2.912 4.420 138 HA GLU 19 HA GLU 19 -1.135 -0.999 5.269 139 1HB GLU 19 2HB GLU 19 1.681 -1.013 4.454 140 2HB GLU 19 1HB GLU 19 0.843 0.481 4.057 141 1HG GLU 19 2HG GLU 19 0.040 0.003 6.635 142 2HG GLU 19 1HG GLU 19 1.711 -0.556 6.633 143 H CYS 20 H CYS 20 0.240 -1.744 2.085 144 HA CYS 20 HA CYS 20 -1.168 0.278 0.692 145 1HB CYS 20 2HB CYS 20 0.908 -1.050 -0.053 146 2HB CYS 20 1HB CYS 20 -0.230 -2.295 -0.556 147 H GLN 21 H GLN 21 -1.728 -3.243 0.880 148 HA GLN 21 HA GLN 21 -4.081 -3.309 -0.597 149 1HB GLN 21 2HB GLN 21 -4.524 -5.454 0.442 150 2HB GLN 21 1HB GLN 21 -2.814 -5.312 0.059 151 1HG GLN 21 2HG GLN 21 -2.277 -5.716 2.141 152 2HG GLN 21 1HG GLN 21 -3.242 -4.355 2.700 153 1HE2 GLN 21 1HE2 GLN 21 -5.741 -4.984 2.400 154 2HE2 GLN 21 2HE2 GLN 21 -6.165 -6.454 3.202 155 H ASP 22 H ASP 22 -3.540 -2.424 2.735 156 HA ASP 22 HA ASP 22 -6.258 -2.540 3.562 157 1HB ASP 22 2HB ASP 22 -4.366 -2.589 5.152 158 2HB ASP 22 1HB ASP 22 -3.977 -0.926 4.722 159 H CYS 23 H CYS 23 -4.164 0.066 2.389 160 HA CYS 23 HA CYS 23 -5.931 2.197 2.713 161 1HB CYS 23 2HB CYS 23 -3.395 1.975 1.883 162 2HB CYS 23 1HB CYS 23 -4.187 2.184 0.334 163 H CYS 24 H CYS 24 -5.274 0.313 -0.225 164 HA CYS 24 HA CYS 24 -7.183 1.463 -1.873 165 1HB CYS 24 2HB CYS 24 -5.331 -0.213 -2.448 166 2HB CYS 24 1HB CYS 24 -6.481 -1.463 -1.988 167 H LYS 25 H LYS 25 -7.537 -1.598 -0.055 168 HA LYS 25 HA LYS 25 -10.163 -2.138 -0.664 169 1HB LYS 25 2HB LYS 25 -9.384 -3.901 0.490 170 2HB LYS 25 1HB LYS 25 -8.245 -2.921 1.393 171 1HG LYS 25 2HG LYS 25 -10.453 -2.211 2.684 172 2HG LYS 25 1HG LYS 25 -10.990 -3.785 2.096 173 1HD LYS 25 2HD LYS 25 -9.983 -4.560 3.947 174 2HD LYS 25 1HD LYS 25 -8.502 -4.376 3.011 175 1HE LYS 25 2HE LYS 25 -8.291 -3.375 5.235 176 2HE LYS 25 1HE LYS 25 -8.157 -2.163 3.961 177 1HZ LYS 25 1HZ LYS 25 -9.751 -1.048 4.989 178 2HZ LYS 25 2HZ LYS 25 -10.005 -2.299 6.098 179 3HZ LYS 25 3HZ LYS 25 -10.838 -2.293 4.627 180 H ASN 26 H ASN 26 -8.965 -0.239 2.105 181 HA ASN 26 HA ASN 26 -11.490 0.394 3.162 182 1HB ASN 26 2HB ASN 26 -8.874 0.834 3.899 183 2HB ASN 26 1HB ASN 26 -9.451 2.458 3.549 184 1HD2 ASN 26 1HD2 ASN 26 -8.706 1.268 6.093 185 2HD2 ASN 26 2HD2 ASN 26 -10.094 1.400 7.113 186 H ALA 27 H ALA 27 -9.716 1.703 0.496 187 HA ALA 27 HA ALA 27 -11.087 4.208 0.371 188 1HB ALA 27 1HB ALA 27 -9.217 4.501 -0.835 189 2HB ALA 27 2HB ALA 27 -10.158 3.815 -2.159 190 3HB ALA 27 3HB ALA 27 -9.078 2.785 -1.220 191 H GLY 28 H GLY 28 -11.594 1.014 -0.955 192 1HA GLY 28 2HA GLY 28 -14.138 0.727 -1.256 193 2HA GLY 28 1HA GLY 28 -13.914 1.985 -2.459 194 H HIS 29 H HIS 29 -11.623 -0.608 -1.833 195 HA HIS 29 HA HIS 29 -12.463 -1.962 -4.284 196 1HB HIS 29 2HB HIS 29 -9.586 -1.202 -3.755 197 2HB HIS 29 1HB HIS 29 -10.228 -1.989 -5.193 198 HD1 HIS 29 1HD HIS 29 -12.397 -0.295 -6.166 199 HD2 HIS 29 2HD HIS 29 -9.030 1.360 -4.381 200 HE1 HIS 29 1HE HIS 29 -12.303 2.082 -6.982 201 HE2 HIS 29 2HE HIS 29 -10.203 3.033 -5.964 202 H ASN 30 H ASN 30 -10.014 -3.611 -4.240 203 HA ASN 30 HA ASN 30 -10.749 -5.315 -1.966 204 1HB ASN 30 2HB ASN 30 -10.494 -5.898 -4.681 205 2HB ASN 30 1HB ASN 30 -9.038 -6.570 -3.955 206 1HD2 ASN 30 1HD2 ASN 30 -9.722 -7.556 -1.636 207 2HD2 ASN 30 2HD2 ASN 30 -10.976 -8.737 -1.767 208 H GLY 31 H GLY 31 -7.894 -4.242 -3.818 209 1HA GLY 31 2HA GLY 31 -6.351 -3.700 -1.530 210 2HA GLY 31 1HA GLY 31 -5.962 -5.318 -2.093 211 H GLY 32 H GLY 32 -3.834 -4.693 -2.590 212 1HA GLY 32 2HA GLY 32 -3.543 -3.646 -5.252 213 2HA GLY 32 1HA GLY 32 -2.929 -2.556 -4.019 214 H THR 33 H THR 33 -0.931 -2.980 -5.341 215 HA THR 33 HA THR 33 0.511 -5.243 -4.146 216 HB THR 33 HB THR 33 0.049 -5.975 -6.373 217 HG1 THR 33 1HG THR 33 2.660 -4.880 -6.424 218 1HG2 THR 33 1HG2 THR 33 0.094 -3.263 -7.070 219 2HG2 THR 33 2HG2 THR 33 -0.242 -4.648 -8.109 220 3HG2 THR 33 3HG2 THR 33 1.405 -4.032 -7.964 221 H CYS 34 H CYS 34 2.852 -4.969 -4.128 222 HA CYS 34 HA CYS 34 3.576 -2.138 -3.826 223 1HB CYS 34 2HB CYS 34 3.759 -3.809 -1.880 224 2HB CYS 34 1HB CYS 34 5.141 -4.467 -2.741 225 H MET 35 H MET 35 4.995 -1.239 -5.171 226 HA MET 35 HA MET 35 6.813 -2.980 -6.690 227 1HB MET 35 2HB MET 35 4.654 -1.346 -7.712 228 2HB MET 35 1HB MET 35 6.197 -0.834 -8.383 229 1HG MET 35 2HG MET 35 5.464 -3.728 -8.362 230 2HG MET 35 1HG MET 35 4.798 -2.651 -9.588 231 1HE MET 35 1HE MET 35 5.818 -4.816 -10.561 232 2HE MET 35 2HE MET 35 7.521 -5.249 -10.412 233 3HE MET 35 3HE MET 35 6.964 -4.329 -11.810 234 H PHE 36 H PHE 36 8.680 -2.414 -5.654 235 HA PHE 36 HA PHE 36 10.425 -1.150 -4.919 236 1HB PHE 36 2HB PHE 36 10.786 -0.934 -7.292 237 2HB PHE 36 1HB PHE 36 9.609 0.364 -7.394 238 HD1 PHE 36 1HD PHE 36 12.181 -0.001 -4.785 239 HD2 PHE 36 2HD PHE 36 10.975 2.058 -8.301 240 HE1 PHE 36 1HE PHE 36 13.982 1.640 -4.431 241 HE2 PHE 36 2HE PHE 36 12.773 3.705 -7.960 242 HZ PHE 36 HZ PHE 36 14.279 3.497 -6.022 243 H PHE 37 H PHE 37 8.674 -0.621 -3.170 244 HA PHE 37 HA PHE 37 7.999 0.869 -1.600 245 1HB PHE 37 2HB PHE 37 9.587 2.954 -3.097 246 2HB PHE 37 1HB PHE 37 9.144 2.958 -1.392 247 HD1 PHE 37 1HD PHE 37 9.781 0.048 -0.836 248 HD2 PHE 37 2HD PHE 37 11.939 3.096 -2.876 249 HE1 PHE 37 1HE PHE 37 11.892 -1.084 -0.283 250 HE2 PHE 37 2HE PHE 37 14.056 1.966 -2.329 251 HZ PHE 37 HZ PHE 37 14.032 -0.131 -1.032 252 H LYS 38 H LYS 38 6.723 0.659 -4.418 253 HA LYS 38 HA LYS 38 5.173 3.156 -4.308 254 1HB LYS 38 2HB LYS 38 5.305 1.109 -6.532 255 2HB LYS 38 1HB LYS 38 4.429 2.630 -6.578 256 1HG LYS 38 2HG LYS 38 7.237 2.988 -5.927 257 2HG LYS 38 1HG LYS 38 6.990 2.199 -7.486 258 1HD LYS 38 2HD LYS 38 6.825 4.334 -8.216 259 2HD LYS 38 1HD LYS 38 5.156 4.155 -7.670 260 1HE LYS 38 2HE LYS 38 6.585 4.903 -5.395 261 2HE LYS 38 1HE LYS 38 7.242 5.900 -6.693 262 1HZ LYS 38 1HZ LYS 38 5.437 7.086 -5.814 263 2HZ LYS 38 2HZ LYS 38 4.434 5.726 -5.774 264 3HZ LYS 38 3HZ LYS 38 4.855 6.421 -7.257 265 H CYS 39 H CYS 39 2.996 3.127 -3.970 266 HA CYS 39 HA CYS 39 1.844 0.517 -3.253 267 1HB CYS 39 2HB CYS 39 1.987 2.059 -1.371 268 2HB CYS 39 1HB CYS 39 1.115 3.286 -2.282 269 H LYS 40 H LYS 40 0.940 -0.137 -5.156 270 HA LYS 40 HA LYS 40 -1.015 1.679 -6.402 271 1HB LYS 40 2HB LYS 40 0.989 0.525 -7.685 272 2HB LYS 40 1HB LYS 40 -0.110 -0.846 -7.721 273 1HG LYS 40 2HG LYS 40 -1.768 0.455 -8.887 274 2HG LYS 40 1HG LYS 40 -0.768 1.903 -8.754 275 1HD LYS 40 2HD LYS 40 -0.330 1.173 -10.914 276 2HD LYS 40 1HD LYS 40 1.014 0.496 -9.994 277 1HE LYS 40 2HE LYS 40 0.454 -1.542 -10.671 278 2HE LYS 40 1HE LYS 40 -1.125 -1.366 -9.908 279 1HZ LYS 40 1HZ LYS 40 -2.089 -0.667 -11.872 280 2HZ LYS 40 2HZ LYS 40 -1.002 -1.845 -12.414 281 3HZ LYS 40 3HZ LYS 40 -0.618 -0.206 -12.570 282 H CYS 41 H CYS 41 -2.988 0.575 -7.296 283 HA CYS 41 HA CYS 41 -4.037 -1.228 -5.271 284 1HB CYS 41 2HB CYS 41 -5.203 0.591 -7.320 285 2HB CYS 41 1HB CYS 41 -6.164 -0.762 -6.772 286 H ALA 42 H ALA 42 -5.940 -2.623 -6.503 287 HA ALA 42 HA ALA 42 -4.654 -4.089 -8.701 288 1HB ALA 42 1HB ALA 42 -4.080 -5.618 -7.135 289 2HB ALA 42 2HB ALA 42 -5.739 -6.156 -7.393 290 3HB ALA 42 3HB ALA 42 -5.351 -5.118 -6.020
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