NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
628961 | 5w9f | 30312 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 1H SER 1 1.744 -15.861 -0.660 2 H2 SER 1 2H SER 1 1.333 -14.634 -1.743 3 H3 SER 1 3H SER 1 0.823 -16.218 -2.030 4 HA SER 1 HA SER 1 -0.975 -14.850 -1.224 5 HB2 SER 1 2HB SER 1 -0.073 -16.940 0.812 6 HB3 SER 1 3HB SER 1 -1.731 -16.396 0.536 7 HG SER 1 HG SER 1 -1.869 -17.780 -1.021 8 H GLN 2 H GLN 2 -1.500 -13.110 -0.054 9 HA GLN 2 HA GLN 2 -1.646 -11.484 1.504 10 HB2 GLN 2 2HB GLN 2 -1.837 -13.443 3.065 11 HB3 GLN 2 3HB GLN 2 -0.098 -13.376 3.322 12 HG2 GLN 2 2HG GLN 2 -0.284 -11.221 4.423 13 HG3 GLN 2 3HG GLN 2 -2.005 -11.121 4.041 14 HE21 GLN 2 1HE2 GLN 2 0.406 -12.724 6.008 15 HE22 GLN 2 2HE2 GLN 2 -0.699 -13.368 7.172 16 H GLU 3 H GLU 3 0.990 -12.146 -0.101 17 HA GLU 3 HA GLU 3 3.115 -10.620 0.959 18 HB2 GLU 3 2HB GLU 3 4.063 -10.657 -1.288 19 HB3 GLU 3 3HB GLU 3 3.359 -12.228 -0.963 20 HG2 GLU 3 2HG GLU 3 2.029 -10.078 -2.640 21 HG3 GLU 3 3HG GLU 3 3.010 -11.379 -3.297 22 H THR 4 H THR 4 0.212 -9.829 -0.841 23 HA THR 4 HA THR 4 0.775 -7.121 -1.475 24 HB THR 4 HB THR 4 -0.920 -8.273 -2.733 25 HG1 THR 4 HG1 THR 4 -1.357 -6.093 -2.559 26 HG21 THR 4 1HG2 THR 4 -3.071 -9.035 -1.790 27 HG22 THR 4 2HG2 THR 4 -2.523 -8.609 -0.167 28 HG23 THR 4 3HG2 THR 4 -1.715 -9.901 -1.063 29 H ARG 5 H ARG 5 -0.904 -8.653 1.315 30 HA ARG 5 HA ARG 5 -1.669 -6.177 2.542 31 HB2 ARG 5 2HB ARG 5 -1.406 -8.932 3.813 32 HB3 ARG 5 3HB ARG 5 -2.230 -7.545 4.521 33 HG2 ARG 5 2HG ARG 5 -3.890 -7.603 2.674 34 HG3 ARG 5 3HG ARG 5 -3.077 -9.023 2.003 35 HD2 ARG 5 2HD ARG 5 -3.507 -10.201 4.198 36 HD3 ARG 5 3HD ARG 5 -4.479 -8.814 4.691 37 HE ARG 5 HE ARG 5 -5.812 -9.381 2.543 38 HH11 ARG 5 1HH1 ARG 5 -4.313 -11.747 4.683 39 HH12 ARG 5 2HH1 ARG 5 -5.460 -12.996 4.324 40 HH21 ARG 5 1HH2 ARG 5 -7.363 -11.030 2.108 41 HH22 ARG 5 2HH2 ARG 5 -7.196 -12.584 2.857 42 H LYS 6 H LYS 6 1.060 -8.405 2.917 43 HA LYS 6 HA LYS 6 2.531 -7.156 4.957 44 HB2 LYS 6 2HB LYS 6 3.348 -9.288 4.340 45 HB3 LYS 6 3HB LYS 6 3.223 -8.972 2.623 46 HG2 LYS 6 2HG LYS 6 5.294 -7.429 4.170 47 HG3 LYS 6 3HG LYS 6 5.598 -9.141 3.879 48 HD2 LYS 6 2HD LYS 6 5.594 -8.844 1.496 49 HD3 LYS 6 3HD LYS 6 4.879 -7.238 1.618 50 HE2 LYS 6 2HE LYS 6 7.191 -6.974 1.037 51 HE3 LYS 6 3HE LYS 6 7.015 -6.455 2.713 52 HZ1 LYS 6 1HZ LYS 6 8.126 -9.024 1.731 53 HZ2 LYS 6 2HZ LYS 6 7.798 -8.717 3.356 54 HZ3 LYS 6 3HZ LYS 6 8.959 -7.794 2.541 55 H LYS 7 H LYS 7 2.474 -6.644 1.446 56 HA LYS 7 HA LYS 7 4.517 -4.674 1.320 57 HB2 LYS 7 2HB LYS 7 3.900 -6.083 -0.605 58 HB3 LYS 7 3HB LYS 7 2.299 -5.355 -0.668 59 HG2 LYS 7 2HG LYS 7 3.215 -3.230 -1.382 60 HG3 LYS 7 3HG LYS 7 4.867 -3.773 -1.079 61 HD2 LYS 7 2HD LYS 7 2.998 -4.940 -3.182 62 HD3 LYS 7 3HD LYS 7 4.288 -3.783 -3.502 63 HE2 LYS 7 2HE LYS 7 5.934 -5.457 -2.623 64 HE3 LYS 7 3HE LYS 7 4.614 -6.615 -2.460 65 HZ1 LYS 7 1HZ LYS 7 5.792 -6.984 -4.502 66 HZ2 LYS 7 2HZ LYS 7 5.573 -5.379 -4.983 67 HZ3 LYS 7 3HZ LYS 7 4.244 -6.416 -4.860 68 H CYS 8 H CYS 8 1.036 -4.554 1.825 69 HA CYS 8 HA CYS 8 0.646 -1.761 1.445 70 HB2 CYS 8 2HB CYS 8 -1.237 -3.375 1.474 71 HB3 CYS 8 3HB CYS 8 -0.954 -3.685 3.187 72 H THR 9 H THR 9 1.265 -3.783 4.318 73 HA THR 9 HA THR 9 1.315 -1.779 6.284 74 HB THR 9 HB THR 9 2.920 -4.386 6.249 75 HG1 THR 9 HG1 THR 9 0.444 -4.335 5.951 76 HG21 THR 9 1HG2 THR 9 2.728 -4.279 8.716 77 HG22 THR 9 2HG2 THR 9 1.893 -2.730 8.595 78 HG23 THR 9 3HG2 THR 9 3.581 -2.861 8.099 79 H GLU 10 H GLU 10 3.867 -3.097 4.204 80 HA GLU 10 HA GLU 10 6.109 -1.727 5.236 81 HB2 GLU 10 2HB GLU 10 6.258 -3.737 3.767 82 HB3 GLU 10 3HB GLU 10 5.634 -2.793 2.414 83 HG2 GLU 10 2HG GLU 10 7.647 -1.264 2.692 84 HG3 GLU 10 3HG GLU 10 8.286 -2.436 3.843 85 H MET 11 H MET 11 3.852 -0.976 2.596 86 HA MET 11 HA MET 11 5.149 1.431 1.750 87 HB2 MET 11 2HB MET 11 2.336 0.391 1.229 88 HB3 MET 11 3HB MET 11 2.977 1.860 0.513 89 HG2 MET 11 2HG MET 11 4.120 -0.905 0.061 90 HG3 MET 11 3HG MET 11 2.991 -0.092 -1.014 91 HE1 MET 11 1HE MET 11 6.590 -0.949 -0.504 92 HE2 MET 11 2HE MET 11 6.595 0.364 0.677 93 HE3 MET 11 3HE MET 11 7.499 0.527 -0.827 94 H LYS 12 H LYS 12 2.732 0.671 4.213 95 HA LYS 12 HA LYS 12 1.923 3.383 4.731 96 HB2 LYS 12 2HB LYS 12 1.718 0.858 6.441 97 HB3 LYS 12 3HB LYS 12 1.080 2.420 6.945 98 HG2 LYS 12 2HG LYS 12 -0.489 2.443 5.076 99 HG3 LYS 12 3HG LYS 12 0.212 0.957 4.439 100 HD2 LYS 12 2HD LYS 12 -1.850 0.384 5.562 101 HD3 LYS 12 3HD LYS 12 -0.511 -0.230 6.530 102 HE2 LYS 12 2HE LYS 12 -0.730 1.799 8.000 103 HE3 LYS 12 3HE LYS 12 -2.160 2.261 7.073 104 HZ1 LYS 12 1HZ LYS 12 -3.238 0.228 7.744 105 HZ2 LYS 12 2HZ LYS 12 -2.716 1.059 9.116 106 HZ3 LYS 12 3HZ LYS 12 -1.860 -0.293 8.567 107 H LYS 13 H LYS 13 4.522 1.290 5.903 108 HA LYS 13 HA LYS 13 5.483 2.916 8.028 109 HB2 LYS 13 2HB LYS 13 7.004 0.974 6.228 110 HB3 LYS 13 3HB LYS 13 7.647 1.666 7.716 111 HG2 LYS 13 2HG LYS 13 6.034 0.477 9.057 112 HG3 LYS 13 3HG LYS 13 5.161 -0.067 7.620 113 HD2 LYS 13 2HD LYS 13 7.224 -1.332 6.918 114 HD3 LYS 13 3HD LYS 13 7.978 -0.882 8.449 115 HE2 LYS 13 2HE LYS 13 5.429 -2.506 8.167 116 HE3 LYS 13 3HE LYS 13 7.031 -3.175 8.474 117 HZ1 LYS 13 1HZ LYS 13 7.090 -1.910 10.555 118 HZ2 LYS 13 2HZ LYS 13 5.810 -3.001 10.506 119 HZ3 LYS 13 3HZ LYS 13 5.523 -1.353 10.265 120 H LYS 14 H LYS 14 6.254 2.739 4.595 121 HA LYS 14 HA LYS 14 8.308 4.767 4.664 122 HB2 LYS 14 2HB LYS 14 6.944 3.260 2.394 123 HB3 LYS 14 3HB LYS 14 8.235 4.431 2.136 124 HG2 LYS 14 2HG LYS 14 9.797 3.046 3.445 125 HG3 LYS 14 3HG LYS 14 8.508 1.876 3.767 126 HD2 LYS 14 2HD LYS 14 8.354 1.285 1.428 127 HD3 LYS 14 3HD LYS 14 9.427 2.606 0.960 128 HE2 LYS 14 2HE LYS 14 10.556 0.411 0.888 129 HE3 LYS 14 3HE LYS 14 11.315 1.500 2.045 130 HZ1 LYS 14 1HZ LYS 14 10.323 0.331 3.837 131 HZ2 LYS 14 2HZ LYS 14 11.025 -0.821 2.818 132 HZ3 LYS 14 3HZ LYS 14 9.355 -0.587 2.800 133 H PHE 15 H PHE 15 4.859 4.675 3.930 134 HA PHE 15 HA PHE 15 4.884 7.492 2.991 135 HB2 PHE 15 2HB PHE 15 3.194 5.301 1.692 136 HB3 PHE 15 3HB PHE 15 3.409 6.947 1.127 137 HD1 PHE 15 HD1 PHE 15 4.253 3.680 0.391 138 HD2 PHE 15 HD2 PHE 15 6.124 7.510 0.779 139 HE1 PHE 15 HE1 PHE 15 6.120 2.918 -1.015 140 HE2 PHE 15 HE2 PHE 15 7.984 6.729 -0.634 141 HZ PHE 15 HZ PHE 15 7.985 4.435 -1.531 142 H LYS 16 H LYS 16 4.330 7.152 5.528 143 HA LYS 16 HA LYS 16 1.623 6.435 6.155 144 HB2 LYS 16 2HB LYS 16 2.162 7.407 8.447 145 HB3 LYS 16 3HB LYS 16 3.170 6.084 7.897 146 HG2 LYS 16 2HG LYS 16 4.689 7.535 8.915 147 HG3 LYS 16 3HG LYS 16 4.879 7.879 7.197 148 HD2 LYS 16 2HD LYS 16 4.897 9.954 8.492 149 HD3 LYS 16 3HD LYS 16 3.476 9.905 7.448 150 HE2 LYS 16 2HE LYS 16 2.891 10.781 9.663 151 HE3 LYS 16 3HE LYS 16 2.091 9.229 9.404 152 HZ1 LYS 16 1HZ LYS 16 3.037 9.393 11.616 153 HZ2 LYS 16 2HZ LYS 16 4.578 9.660 10.977 154 HZ3 LYS 16 3HZ LYS 16 3.812 8.172 10.743 155 H ASN 17 H ASN 17 3.077 9.376 5.034 156 HA ASN 17 HA ASN 17 0.856 11.107 5.767 157 HB2 ASN 17 2HB ASN 17 3.155 11.513 3.789 158 HB3 ASN 17 3HB ASN 17 1.913 12.722 4.088 159 HD21 ASN 17 1HD2 ASN 17 4.756 11.197 5.361 160 HD22 ASN 17 2HD2 ASN 17 4.956 12.248 6.714 161 H CYS 18 H CYS 18 1.619 8.940 3.172 162 HA CYS 18 HA CYS 18 -0.398 9.967 1.324 163 HB2 CYS 18 2HB CYS 18 1.490 7.581 1.099 164 HB3 CYS 18 3HB CYS 18 0.475 8.222 -0.188 165 H GLU 19 H GLU 19 -2.090 8.623 0.488 166 HA GLU 19 HA GLU 19 -3.432 6.961 2.446 167 HB2 GLU 19 2HB GLU 19 -4.660 8.618 0.960 168 HB3 GLU 19 3HB GLU 19 -4.264 7.607 -0.419 169 HG2 GLU 19 2HG GLU 19 -5.494 5.710 0.898 170 HG3 GLU 19 3HG GLU 19 -6.181 7.024 1.848 171 H VAL 20 H VAL 20 -1.876 5.212 2.521 172 HA VAL 20 HA VAL 20 -1.493 3.473 0.201 173 HB VAL 20 HB VAL 20 -0.705 3.064 3.136 174 HG11 VAL 20 1HG1 VAL 20 -0.894 0.939 1.910 175 HG12 VAL 20 2HG1 VAL 20 0.794 1.303 2.266 176 HG13 VAL 20 3HG1 VAL 20 0.162 1.559 0.637 177 HG21 VAL 20 1HG2 VAL 20 0.408 5.038 2.168 178 HG22 VAL 20 2HG2 VAL 20 0.989 4.063 0.817 179 HG23 VAL 20 3HG2 VAL 20 1.561 3.733 2.453 180 H ARG 21 H ARG 21 -3.212 2.178 -0.349 181 HA ARG 21 HA ARG 21 -5.053 1.159 1.728 182 HB2 ARG 21 2HB ARG 21 -6.758 1.033 -0.123 183 HB3 ARG 21 3HB ARG 21 -6.218 2.658 0.249 184 HG2 ARG 21 2HG ARG 21 -5.802 2.994 -1.936 185 HG3 ARG 21 3HG ARG 21 -4.518 1.793 -1.849 186 HD2 ARG 21 2HD ARG 21 -5.957 1.184 -3.650 187 HD3 ARG 21 3HD ARG 21 -6.254 0.027 -2.348 188 HE ARG 21 HE ARG 21 -8.004 2.355 -2.519 189 HH11 ARG 21 1HH1 ARG 21 -7.603 -1.061 -3.236 190 HH12 ARG 21 2HH1 ARG 21 -9.307 -1.329 -3.438 191 HH21 ARG 21 1HH2 ARG 21 -10.216 1.998 -2.773 192 HH22 ARG 21 2HH2 ARG 21 -10.785 0.411 -3.174 193 H CYS 22 H CYS 22 -5.133 -0.944 2.052 194 HA CYS 22 HA CYS 22 -3.446 -2.790 0.609 195 HB2 CYS 22 2HB CYS 22 -5.435 -3.495 2.796 196 HB3 CYS 22 3HB CYS 22 -3.948 -4.338 2.371 197 H ASP 23 H ASP 23 -4.150 -4.636 -0.507 198 HA ASP 23 HA ASP 23 -7.020 -4.979 -1.104 199 HB2 ASP 23 2HB ASP 23 -4.760 -4.683 -3.126 200 HB3 ASP 23 3HB ASP 23 -6.247 -5.521 -3.536 201 H GLU 24 H GLU 24 -7.203 -7.089 -2.489 202 HA GLU 24 HA GLU 24 -5.223 -9.158 -2.009 203 HB2 GLU 24 2HB GLU 24 -6.833 -10.740 -0.929 204 HB3 GLU 24 3HB GLU 24 -6.475 -9.344 0.085 205 HG2 GLU 24 2HG GLU 24 -8.619 -8.331 -0.447 206 HG3 GLU 24 3HG GLU 24 -8.967 -9.589 -1.629 207 H SER 25 H SER 25 -8.207 -8.032 -3.467 208 HA SER 25 HA SER 25 -8.829 -10.272 -5.068 209 HB2 SER 25 2HB SER 25 -9.479 -7.337 -5.577 210 HB3 SER 25 3HB SER 25 -10.307 -8.720 -6.292 211 HG SER 25 HG SER 25 -11.033 -9.301 -4.235 212 H ASN 26 H ASN 26 -6.938 -7.334 -5.746 213 HA ASN 26 HA ASN 26 -6.055 -8.381 -8.359 214 HB2 ASN 26 2HB ASN 26 -5.174 -6.018 -8.695 215 HB3 ASN 26 3HB ASN 26 -6.918 -6.150 -8.518 216 HD21 ASN 26 1HD2 ASN 26 -7.003 -3.905 -7.942 217 HD22 ASN 26 2HD2 ASN 26 -6.531 -3.382 -6.360 218 H HIS 27 H HIS 27 -4.958 -8.073 -5.138 219 HA HIS 27 HA HIS 27 -3.009 -8.327 -4.024 220 HB2 HIS 27 2HB HIS 27 -2.138 -9.735 -6.588 221 HB3 HIS 27 3HB HIS 27 -1.152 -9.696 -5.134 222 HD1 HIS 27 HD1 HIS 27 -1.767 -11.233 -3.230 223 HD2 HIS 27 HD2 HIS 27 -4.455 -11.403 -6.392 224 HE1 HIS 27 HE1 HIS 27 -3.252 -13.185 -2.737 225 HE2 HIS 27 HE2 HIS 27 -4.976 -13.145 -4.562 226 H CYS 28 H CYS 28 -3.472 -5.888 -5.254 227 HA CYS 28 HA CYS 28 -0.770 -4.836 -5.827 228 HB2 CYS 28 2HB CYS 28 -3.399 -4.167 -7.226 229 HB3 CYS 28 3HB CYS 28 -1.927 -3.216 -7.396 230 H VAL 29 H VAL 29 -0.236 -3.351 -4.359 231 HA VAL 29 HA VAL 29 -2.256 -2.065 -2.665 232 HB VAL 29 HB VAL 29 0.800 -2.013 -2.513 233 HG11 VAL 29 1HG1 VAL 29 -0.162 0.039 -1.527 234 HG12 VAL 29 2HG1 VAL 29 0.526 -0.994 -0.276 235 HG13 VAL 29 3HG1 VAL 29 -1.225 -0.932 -0.503 236 HG21 VAL 29 1HG2 VAL 29 -0.157 -4.236 -2.070 237 HG22 VAL 29 2HG2 VAL 29 -1.207 -3.543 -0.828 238 HG23 VAL 29 3HG2 VAL 29 0.545 -3.534 -0.609 239 H GLU 30 H GLU 30 -3.104 -0.237 -3.460 240 HA GLU 30 HA GLU 30 -1.525 1.601 -5.106 241 HB2 GLU 30 2HB GLU 30 -3.838 1.241 -5.796 242 HB3 GLU 30 3HB GLU 30 -4.429 1.693 -4.204 243 HG2 GLU 30 2HG GLU 30 -3.555 4.000 -4.554 244 HG3 GLU 30 3HG GLU 30 -3.038 3.541 -6.172 245 H VAL 31 H VAL 31 -0.860 3.546 -4.409 246 HA VAL 31 HA VAL 31 -1.243 4.423 -1.623 247 HB VAL 31 HB VAL 31 1.294 4.672 -3.318 248 HG11 VAL 31 1HG1 VAL 31 2.344 5.551 -1.263 249 HG12 VAL 31 2HG1 VAL 31 0.779 5.496 -0.447 250 HG13 VAL 31 3HG1 VAL 31 1.017 6.570 -1.828 251 HG21 VAL 31 1HG2 VAL 31 0.998 2.347 -2.606 252 HG22 VAL 31 2HG2 VAL 31 0.812 2.858 -0.925 253 HG23 VAL 31 3HG2 VAL 31 2.355 3.088 -1.754 254 H ARG 32 H ARG 32 -1.839 6.606 -1.523 255 HA ARG 32 HA ARG 32 -1.943 8.164 -4.036 256 HB2 ARG 32 2HB ARG 32 -4.073 6.830 -3.642 257 HB3 ARG 32 3HB ARG 32 -4.316 7.755 -2.163 258 HG2 ARG 32 2HG ARG 32 -4.315 9.853 -3.607 259 HG3 ARG 32 3HG ARG 32 -4.330 8.787 -5.010 260 HD2 ARG 32 2HD ARG 32 -6.440 8.924 -2.841 261 HD3 ARG 32 3HD ARG 32 -6.591 9.546 -4.486 262 HE ARG 32 HE ARG 32 -6.103 6.941 -4.942 263 HH11 ARG 32 1HH1 ARG 32 -8.373 8.494 -2.743 264 HH12 ARG 32 2HH1 ARG 32 -9.521 7.198 -2.830 265 HH21 ARG 32 1HH2 ARG 32 -7.620 5.251 -5.011 266 HH22 ARG 32 2HH2 ARG 32 -9.088 5.368 -4.116 267 H CYS 33 H CYS 33 -0.363 9.557 -3.206 268 HA CYS 33 HA CYS 33 -0.425 10.683 -0.587 269 HB2 CYS 33 2HB CYS 33 1.148 11.570 -3.033 270 HB3 CYS 33 3HB CYS 33 1.481 12.038 -1.365 271 H SER 34 H SER 34 -0.533 12.563 -3.649 272 HA SER 34 HA SER 34 -3.040 13.836 -2.990 273 HB2 SER 34 2HB SER 34 -0.477 15.510 -2.991 274 HB3 SER 34 3HB SER 34 -2.101 16.203 -3.094 275 HG SER 34 HG SER 34 -2.315 14.730 -1.047 276 H ASP 35 H ASP 35 -0.147 14.624 -4.957 277 HA ASP 35 HA ASP 35 -1.780 14.547 -7.422 278 HB2 ASP 35 2HB ASP 35 0.137 15.673 -8.517 279 HB3 ASP 35 3HB ASP 35 -0.416 16.586 -7.120 280 H THR 36 H THR 36 0.811 12.927 -5.721 281 HA THR 36 HA THR 36 1.500 11.191 -7.972 282 HB THR 36 HB THR 36 2.693 11.147 -5.155 283 HG1 THR 36 HG1 THR 36 3.070 12.941 -7.262 284 HG21 THR 36 1HG2 THR 36 3.812 10.219 -7.836 285 HG22 THR 36 2HG2 THR 36 3.198 9.157 -6.567 286 HG23 THR 36 3HG2 THR 36 4.644 10.126 -6.282 287 H LYS 37 H LYS 37 0.377 9.380 -8.239 288 HA LYS 37 HA LYS 37 -0.540 7.760 -5.952 289 HB2 LYS 37 2HB LYS 37 -2.469 9.081 -6.792 290 HB3 LYS 37 3HB LYS 37 -2.215 8.474 -8.416 291 HG2 LYS 37 2HG LYS 37 -2.835 6.589 -6.121 292 HG3 LYS 37 3HG LYS 37 -4.118 7.454 -6.958 293 HD2 LYS 37 2HD LYS 37 -2.166 5.499 -8.236 294 HD3 LYS 37 3HD LYS 37 -3.852 5.176 -7.839 295 HE2 LYS 37 2HE LYS 37 -4.598 6.848 -9.459 296 HE3 LYS 37 3HE LYS 37 -2.925 7.287 -9.816 297 HZ1 LYS 37 1HZ LYS 37 -3.811 5.805 -11.488 298 HZ2 LYS 37 2HZ LYS 37 -4.163 4.633 -10.323 299 HZ3 LYS 37 3HZ LYS 37 -2.561 5.039 -10.649 300 H TYR 38 H TYR 38 0.344 5.815 -6.135 301 HA TYR 38 HA TYR 38 0.959 4.600 -8.752 302 HB2 TYR 38 2HB TYR 38 3.230 3.912 -7.782 303 HB3 TYR 38 3HB TYR 38 3.058 5.604 -8.204 304 HD1 TYR 38 HD1 TYR 38 3.412 3.230 -5.392 305 HD2 TYR 38 HD2 TYR 38 3.041 7.344 -6.485 306 HE1 TYR 38 HE1 TYR 38 4.110 3.878 -3.138 307 HE2 TYR 38 HE2 TYR 38 3.771 7.999 -4.234 308 HH TYR 38 HH TYR 38 5.174 5.850 -2.070 309 H THR 39 H THR 39 1.276 2.272 -8.632 310 HA THR 39 HA THR 39 0.058 0.993 -6.261 311 HB THR 39 HB THR 39 -0.746 0.431 -9.156 312 HG1 THR 39 HG1 THR 39 -1.812 2.105 -7.140 313 HG21 THR 39 1HG2 THR 39 -1.918 -0.561 -6.527 314 HG22 THR 39 2HG2 THR 39 -1.042 -1.543 -7.706 315 HG23 THR 39 3HG2 THR 39 -2.609 -0.848 -8.124 316 H LEU 40 H LEU 40 1.569 -0.353 -5.502 317 HA LEU 40 HA LEU 40 3.547 -1.678 -7.192 318 HB2 LEU 40 2HB LEU 40 3.239 -1.316 -4.183 319 HB3 LEU 40 3HB LEU 40 4.327 -2.535 -4.829 320 HG LEU 40 HG LEU 40 5.513 -0.632 -6.087 321 HD11 LEU 40 1HD1 LEU 40 3.783 1.058 -5.968 322 HD12 LEU 40 2HD1 LEU 40 5.265 1.633 -5.206 323 HD13 LEU 40 3HD1 LEU 40 3.908 1.103 -4.207 324 HD21 LEU 40 1HD2 LEU 40 6.503 -1.704 -4.132 325 HD22 LEU 40 2HD2 LEU 40 5.601 -0.641 -3.052 326 HD23 LEU 40 3HD2 LEU 40 6.843 0.026 -4.116 327 H CYS 41 H CYS 41 2.822 -3.463 -8.131 328 HA CYS 41 HA CYS 41 0.943 -5.295 -6.831 329 HB2 CYS 41 2HB CYS 41 1.994 -5.127 -9.679 330 HB3 CYS 41 3HB CYS 41 0.895 -6.384 -9.115 Start of MODEL 2 1 H1 SER 1 1H SER 1 1.732 -16.406 -1.654 2 H2 SER 1 2H SER 1 2.331 -14.974 -0.991 3 H3 SER 1 3H SER 1 0.711 -15.066 -1.468 4 HA SER 1 HA SER 1 0.275 -16.729 0.197 5 HB2 SER 1 2HB SER 1 3.136 -16.206 1.097 6 HB3 SER 1 3HB SER 1 1.992 -17.329 1.833 7 HG SER 1 HG SER 1 2.173 -18.671 0.159 8 H GLN 2 H GLN 2 2.610 -14.134 1.046 9 HA GLN 2 HA GLN 2 0.435 -12.569 2.277 10 HB2 GLN 2 2HB GLN 2 1.800 -13.951 4.012 11 HB3 GLN 2 3HB GLN 2 3.164 -12.912 3.618 12 HG2 GLN 2 2HG GLN 2 1.783 -10.935 4.323 13 HG3 GLN 2 3HG GLN 2 0.520 -12.050 4.842 14 HE21 GLN 2 1HE2 GLN 2 3.675 -10.764 5.543 15 HE22 GLN 2 2HE2 GLN 2 3.820 -11.435 7.127 16 H GLU 3 H GLU 3 2.191 -12.515 -0.270 17 HA GLU 3 HA GLU 3 4.170 -10.547 -0.091 18 HB2 GLU 3 2HB GLU 3 3.350 -10.267 -2.760 19 HB3 GLU 3 3HB GLU 3 4.556 -11.380 -2.161 20 HG2 GLU 3 2HG GLU 3 2.960 -12.432 -3.716 21 HG3 GLU 3 3HG GLU 3 2.994 -13.199 -2.133 22 H THR 4 H THR 4 0.778 -10.116 -1.160 23 HA THR 4 HA THR 4 1.070 -7.275 -1.495 24 HB THR 4 HB THR 4 -0.448 -8.540 -2.932 25 HG1 THR 4 HG1 THR 4 -1.904 -6.683 -1.323 26 HG21 THR 4 1HG2 THR 4 -1.286 -10.245 -1.354 27 HG22 THR 4 2HG2 THR 4 -2.616 -9.403 -2.152 28 HG23 THR 4 3HG2 THR 4 -2.197 -9.005 -0.485 29 H ARG 5 H ARG 5 0.112 -9.329 1.146 30 HA ARG 5 HA ARG 5 -1.364 -7.332 2.631 31 HB2 ARG 5 2HB ARG 5 -0.225 -9.976 3.645 32 HB3 ARG 5 3HB ARG 5 -1.381 -8.957 4.486 33 HG2 ARG 5 2HG ARG 5 -2.704 -10.683 3.658 34 HG3 ARG 5 3HG ARG 5 -2.955 -9.404 2.478 35 HD2 ARG 5 2HD ARG 5 -1.504 -10.500 0.896 36 HD3 ARG 5 3HD ARG 5 -0.970 -11.665 2.108 37 HE ARG 5 HE ARG 5 -3.705 -11.951 1.953 38 HH11 ARG 5 1HH1 ARG 5 -1.036 -12.325 -0.341 39 HH12 ARG 5 2HH1 ARG 5 -1.867 -13.541 -1.255 40 HH21 ARG 5 1HH2 ARG 5 -4.719 -13.556 0.776 41 HH22 ARG 5 2HH2 ARG 5 -3.949 -14.239 -0.628 42 H LYS 6 H LYS 6 1.840 -8.824 2.829 43 HA LYS 6 HA LYS 6 3.023 -7.327 4.890 44 HB2 LYS 6 2HB LYS 6 4.249 -9.259 4.317 45 HB3 LYS 6 3HB LYS 6 4.049 -9.027 2.593 46 HG2 LYS 6 2HG LYS 6 5.807 -7.082 4.072 47 HG3 LYS 6 3HG LYS 6 6.422 -8.712 3.805 48 HD2 LYS 6 2HD LYS 6 6.274 -8.465 1.401 49 HD3 LYS 6 3HD LYS 6 5.357 -6.965 1.549 50 HE2 LYS 6 2HE LYS 6 7.634 -6.453 0.898 51 HE3 LYS 6 3HE LYS 6 7.386 -5.887 2.551 52 HZ1 LYS 6 1HZ LYS 6 8.855 -8.301 1.648 53 HZ2 LYS 6 2HZ LYS 6 8.422 -8.050 3.262 54 HZ3 LYS 6 3HZ LYS 6 9.468 -6.970 2.492 55 H LYS 7 H LYS 7 2.706 -6.782 1.422 56 HA LYS 7 HA LYS 7 4.424 -4.492 1.290 57 HB2 LYS 7 2HB LYS 7 3.753 -6.195 -0.566 58 HB3 LYS 7 3HB LYS 7 2.306 -5.214 -0.771 59 HG2 LYS 7 2HG LYS 7 3.619 -3.303 -1.441 60 HG3 LYS 7 3HG LYS 7 5.125 -4.107 -0.970 61 HD2 LYS 7 2HD LYS 7 4.545 -5.899 -2.733 62 HD3 LYS 7 3HD LYS 7 3.299 -4.787 -3.302 63 HE2 LYS 7 2HE LYS 7 4.995 -3.105 -3.807 64 HE3 LYS 7 3HE LYS 7 6.253 -4.150 -3.146 65 HZ1 LYS 7 1HZ LYS 7 4.554 -4.834 -5.485 66 HZ2 LYS 7 2HZ LYS 7 5.830 -5.752 -4.865 67 HZ3 LYS 7 3HZ LYS 7 6.137 -4.248 -5.571 68 H CYS 8 H CYS 8 0.968 -5.000 1.772 69 HA CYS 8 HA CYS 8 0.047 -2.341 1.750 70 HB2 CYS 8 2HB CYS 8 -1.777 -3.719 2.023 71 HB3 CYS 8 3HB CYS 8 -0.873 -4.926 2.926 72 H THR 9 H THR 9 1.361 -4.318 4.452 73 HA THR 9 HA THR 9 1.254 -2.385 6.490 74 HB THR 9 HB THR 9 3.321 -4.630 6.250 75 HG1 THR 9 HG1 THR 9 0.710 -4.908 6.241 76 HG21 THR 9 1HG2 THR 9 2.086 -3.322 8.712 77 HG22 THR 9 2HG2 THR 9 3.729 -3.044 8.124 78 HG23 THR 9 3HG2 THR 9 3.255 -4.638 8.718 79 H GLU 10 H GLU 10 3.828 -3.270 4.240 80 HA GLU 10 HA GLU 10 5.927 -1.700 5.240 81 HB2 GLU 10 2HB GLU 10 6.324 -3.673 3.863 82 HB3 GLU 10 3HB GLU 10 5.493 -2.942 2.490 83 HG2 GLU 10 2HG GLU 10 7.252 -1.208 2.375 84 HG3 GLU 10 3HG GLU 10 8.076 -1.963 3.738 85 H MET 11 H MET 11 3.720 -1.154 2.463 86 HA MET 11 HA MET 11 4.860 1.344 1.714 87 HB2 MET 11 2HB MET 11 2.151 0.130 1.060 88 HB3 MET 11 3HB MET 11 2.706 1.661 0.400 89 HG2 MET 11 2HG MET 11 4.118 -0.978 -0.037 90 HG3 MET 11 3HG MET 11 2.954 -0.265 -1.147 91 HE1 MET 11 1HE MET 11 7.359 0.816 -0.773 92 HE2 MET 11 2HE MET 11 6.600 -0.765 -0.576 93 HE3 MET 11 3HE MET 11 6.428 0.463 0.684 94 H LYS 12 H LYS 12 2.341 0.487 4.073 95 HA LYS 12 HA LYS 12 1.396 3.174 4.499 96 HB2 LYS 12 2HB LYS 12 1.188 0.674 6.235 97 HB3 LYS 12 3HB LYS 12 0.478 2.221 6.696 98 HG2 LYS 12 2HG LYS 12 -0.870 2.161 4.573 99 HG3 LYS 12 3HG LYS 12 -0.241 0.550 4.272 100 HD2 LYS 12 2HD LYS 12 -1.893 1.359 6.690 101 HD3 LYS 12 3HD LYS 12 -2.507 0.518 5.268 102 HE2 LYS 12 2HE LYS 12 -0.818 -1.325 5.785 103 HE3 LYS 12 3HE LYS 12 -0.555 -0.516 7.335 104 HZ1 LYS 12 1HZ LYS 12 -3.133 -1.598 6.329 105 HZ2 LYS 12 2HZ LYS 12 -2.946 -0.749 7.780 106 HZ3 LYS 12 3HZ LYS 12 -2.192 -2.244 7.570 107 H LYS 13 H LYS 13 3.771 1.109 6.158 108 HA LYS 13 HA LYS 13 4.347 3.013 8.226 109 HB2 LYS 13 2HB LYS 13 6.006 1.440 9.016 110 HB3 LYS 13 3HB LYS 13 4.576 0.541 8.533 111 HG2 LYS 13 2HG LYS 13 5.762 0.069 6.332 112 HG3 LYS 13 3HG LYS 13 7.218 0.735 7.067 113 HD2 LYS 13 2HD LYS 13 5.661 -1.694 8.047 114 HD3 LYS 13 3HD LYS 13 7.199 -1.724 7.189 115 HE2 LYS 13 2HE LYS 13 6.707 -0.602 9.961 116 HE3 LYS 13 3HE LYS 13 7.571 -2.084 9.563 117 HZ1 LYS 13 1HZ LYS 13 9.196 -0.682 8.352 118 HZ2 LYS 13 2HZ LYS 13 9.152 -0.395 10.015 119 HZ3 LYS 13 3HZ LYS 13 8.415 0.694 8.957 120 H LYS 14 H LYS 14 5.476 2.567 4.998 121 HA LYS 14 HA LYS 14 7.880 4.222 5.333 122 HB2 LYS 14 2HB LYS 14 7.637 2.108 3.793 123 HB3 LYS 14 3HB LYS 14 6.782 3.159 2.686 124 HG2 LYS 14 2HG LYS 14 9.606 3.730 3.649 125 HG3 LYS 14 3HG LYS 14 9.259 2.758 2.222 126 HD2 LYS 14 2HD LYS 14 8.117 4.681 1.177 127 HD3 LYS 14 3HD LYS 14 8.427 5.653 2.615 128 HE2 LYS 14 2HE LYS 14 10.614 4.448 0.888 129 HE3 LYS 14 3HE LYS 14 9.994 6.090 0.705 130 HZ1 LYS 14 1HZ LYS 14 12.018 6.008 2.032 131 HZ2 LYS 14 2HZ LYS 14 11.260 5.010 3.163 132 HZ3 LYS 14 3HZ LYS 14 10.721 6.596 2.936 133 H PHE 15 H PHE 15 4.927 4.281 3.278 134 HA PHE 15 HA PHE 15 5.128 7.205 2.929 135 HB2 PHE 15 2HB PHE 15 3.263 5.212 1.556 136 HB3 PHE 15 3HB PHE 15 3.452 6.903 1.135 137 HD1 PHE 15 HD1 PHE 15 4.440 3.633 0.270 138 HD2 PHE 15 HD2 PHE 15 5.963 7.624 0.534 139 HE1 PHE 15 HE1 PHE 15 6.202 3.073 -1.350 140 HE2 PHE 15 HE2 PHE 15 7.728 7.052 -1.086 141 HZ PHE 15 HZ PHE 15 7.843 4.779 -2.026 142 H LYS 16 H LYS 16 4.546 7.214 5.338 143 HA LYS 16 HA LYS 16 1.834 6.564 6.076 144 HB2 LYS 16 2HB LYS 16 2.452 7.361 8.318 145 HB3 LYS 16 3HB LYS 16 3.633 6.237 7.670 146 HG2 LYS 16 2HG LYS 16 5.117 7.762 8.503 147 HG3 LYS 16 3HG LYS 16 4.849 8.539 6.942 148 HD2 LYS 16 2HD LYS 16 4.743 10.198 8.747 149 HD3 LYS 16 3HD LYS 16 3.154 10.033 7.996 150 HE2 LYS 16 2HE LYS 16 2.500 8.484 9.881 151 HE3 LYS 16 3HE LYS 16 4.051 8.829 10.644 152 HZ1 LYS 16 1HZ LYS 16 3.434 11.131 10.844 153 HZ2 LYS 16 2HZ LYS 16 2.224 10.172 11.528 154 HZ3 LYS 16 3HZ LYS 16 1.987 10.872 10.009 155 H ASN 17 H ASN 17 3.334 9.310 4.696 156 HA ASN 17 HA ASN 17 1.181 11.176 5.423 157 HB2 ASN 17 2HB ASN 17 3.668 11.543 3.695 158 HB3 ASN 17 3HB ASN 17 2.494 12.814 4.013 159 HD21 ASN 17 1HD2 ASN 17 2.064 12.158 6.804 160 HD22 ASN 17 2HD2 ASN 17 3.500 12.623 7.637 161 H CYS 18 H CYS 18 1.428 8.710 3.269 162 HA CYS 18 HA CYS 18 -0.257 10.012 1.208 163 HB2 CYS 18 2HB CYS 18 1.624 7.643 0.924 164 HB3 CYS 18 3HB CYS 18 0.566 8.248 -0.350 165 H GLU 19 H GLU 19 -2.072 8.848 0.455 166 HA GLU 19 HA GLU 19 -3.372 7.125 2.365 167 HB2 GLU 19 2HB GLU 19 -4.673 8.817 1.037 168 HB3 GLU 19 3HB GLU 19 -4.300 7.926 -0.430 169 HG2 GLU 19 2HG GLU 19 -5.520 5.934 0.499 170 HG3 GLU 19 3HG GLU 19 -5.962 6.896 1.908 171 H VAL 20 H VAL 20 -2.010 5.345 2.391 172 HA VAL 20 HA VAL 20 -1.457 3.752 0.013 173 HB VAL 20 HB VAL 20 -0.921 3.234 2.981 174 HG11 VAL 20 1HG1 VAL 20 0.633 1.487 2.221 175 HG12 VAL 20 2HG1 VAL 20 0.160 1.779 0.547 176 HG13 VAL 20 3HG1 VAL 20 -1.015 1.135 1.697 177 HG21 VAL 20 1HG2 VAL 20 0.984 4.215 0.836 178 HG22 VAL 20 2HG2 VAL 20 1.363 3.935 2.537 179 HG23 VAL 20 3HG2 VAL 20 0.251 5.226 2.086 180 H ARG 21 H ARG 21 -3.068 2.473 -0.745 181 HA ARG 21 HA ARG 21 -5.287 1.590 0.983 182 HB2 ARG 21 2HB ARG 21 -5.033 1.582 -2.070 183 HB3 ARG 21 3HB ARG 21 -6.467 1.099 -1.163 184 HG2 ARG 21 2HG ARG 21 -6.697 3.410 -0.307 185 HG3 ARG 21 3HG ARG 21 -5.264 3.885 -1.219 186 HD2 ARG 21 2HD ARG 21 -6.446 3.222 -3.328 187 HD3 ARG 21 3HD ARG 21 -7.893 2.893 -2.365 188 HE ARG 21 HE ARG 21 -6.870 5.540 -1.974 189 HH11 ARG 21 1HH1 ARG 21 -8.854 3.610 -4.129 190 HH12 ARG 21 2HH1 ARG 21 -9.751 4.966 -4.723 191 HH21 ARG 21 1HH2 ARG 21 -8.049 7.318 -2.763 192 HH22 ARG 21 2HH2 ARG 21 -9.293 7.072 -3.949 193 H CYS 22 H CYS 22 -4.792 -0.280 1.923 194 HA CYS 22 HA CYS 22 -3.187 -2.377 0.850 195 HB2 CYS 22 2HB CYS 22 -5.259 -2.375 3.100 196 HB3 CYS 22 3HB CYS 22 -4.109 -3.676 2.790 197 H ASP 23 H ASP 23 -3.982 -4.570 0.348 198 HA ASP 23 HA ASP 23 -6.659 -5.066 -0.485 199 HB2 ASP 23 2HB ASP 23 -6.217 -3.505 -2.304 200 HB3 ASP 23 3HB ASP 23 -4.672 -4.255 -2.661 201 H GLU 24 H GLU 24 -6.910 -7.126 -1.418 202 HA GLU 24 HA GLU 24 -4.616 -8.974 -1.401 203 HB2 GLU 24 2HB GLU 24 -5.720 -9.177 0.777 204 HB3 GLU 24 3HB GLU 24 -7.300 -9.341 0.013 205 HG2 GLU 24 2HG GLU 24 -6.552 -11.490 -0.996 206 HG3 GLU 24 3HG GLU 24 -5.005 -11.317 -0.171 207 H SER 25 H SER 25 -7.646 -7.896 -2.749 208 HA SER 25 HA SER 25 -8.485 -10.262 -4.084 209 HB2 SER 25 2HB SER 25 -9.180 -7.342 -4.646 210 HB3 SER 25 3HB SER 25 -10.077 -8.746 -5.238 211 HG SER 25 HG SER 25 -10.971 -7.790 -3.318 212 H ASN 26 H ASN 26 -7.005 -7.280 -5.333 213 HA ASN 26 HA ASN 26 -6.414 -8.500 -7.935 214 HB2 ASN 26 2HB ASN 26 -7.526 -6.334 -7.945 215 HB3 ASN 26 3HB ASN 26 -6.308 -5.626 -6.889 216 HD21 ASN 26 1HD2 ASN 26 -4.378 -4.925 -7.806 217 HD22 ASN 26 2HD2 ASN 26 -4.113 -4.850 -9.507 218 H HIS 27 H HIS 27 -4.870 -7.891 -4.946 219 HA HIS 27 HA HIS 27 -2.819 -8.271 -4.106 220 HB2 HIS 27 2HB HIS 27 -2.316 -9.635 -6.780 221 HB3 HIS 27 3HB HIS 27 -1.142 -9.637 -5.471 222 HD1 HIS 27 HD1 HIS 27 -1.413 -11.337 -3.679 223 HD2 HIS 27 HD2 HIS 27 -4.738 -11.141 -6.152 224 HE1 HIS 27 HE1 HIS 27 -2.873 -13.242 -2.980 225 HE2 HIS 27 HE2 HIS 27 -4.921 -13.051 -4.419 226 H CYS 28 H CYS 28 -3.297 -5.746 -4.951 227 HA CYS 28 HA CYS 28 -0.562 -4.774 -5.387 228 HB2 CYS 28 2HB CYS 28 -2.905 -3.747 -7.057 229 HB3 CYS 28 3HB CYS 28 -1.257 -3.119 -7.084 230 H VAL 29 H VAL 29 -0.192 -2.751 -4.456 231 HA VAL 29 HA VAL 29 -2.248 -1.734 -2.597 232 HB VAL 29 HB VAL 29 0.801 -1.456 -2.512 233 HG11 VAL 29 1HG1 VAL 29 0.483 -0.605 -0.218 234 HG12 VAL 29 2HG1 VAL 29 -1.269 -0.656 -0.433 235 HG13 VAL 29 3HG1 VAL 29 -0.288 0.440 -1.413 236 HG21 VAL 29 1HG2 VAL 29 0.755 -3.070 -0.655 237 HG22 VAL 29 2HG2 VAL 29 0.099 -3.788 -2.126 238 HG23 VAL 29 3HG2 VAL 29 -0.991 -3.264 -0.841 239 H GLU 30 H GLU 30 -3.224 0.111 -3.329 240 HA GLU 30 HA GLU 30 -1.900 1.854 -5.301 241 HB2 GLU 30 2HB GLU 30 -4.204 1.174 -5.813 242 HB3 GLU 30 3HB GLU 30 -4.780 1.796 -4.268 243 HG2 GLU 30 2HG GLU 30 -4.333 4.091 -4.947 244 HG3 GLU 30 3HG GLU 30 -3.537 3.554 -6.423 245 H VAL 31 H VAL 31 -0.655 3.401 -4.441 246 HA VAL 31 HA VAL 31 -1.309 4.657 -1.857 247 HB VAL 31 HB VAL 31 1.307 4.777 -3.426 248 HG11 VAL 31 1HG1 VAL 31 2.279 5.495 -1.267 249 HG12 VAL 31 2HG1 VAL 31 0.664 5.498 -0.553 250 HG13 VAL 31 3HG1 VAL 31 1.053 6.618 -1.862 251 HG21 VAL 31 1HG2 VAL 31 0.850 2.441 -2.833 252 HG22 VAL 31 2HG2 VAL 31 0.601 2.897 -1.144 253 HG23 VAL 31 3HG2 VAL 31 2.197 3.074 -1.879 254 H ARG 32 H ARG 32 -2.536 6.421 -2.174 255 HA ARG 32 HA ARG 32 -2.035 8.311 -4.384 256 HB2 ARG 32 2HB ARG 32 -4.347 7.333 -4.152 257 HB3 ARG 32 3HB ARG 32 -4.483 8.049 -2.554 258 HG2 ARG 32 2HG ARG 32 -3.862 9.923 -4.810 259 HG3 ARG 32 3HG ARG 32 -5.467 9.212 -4.811 260 HD2 ARG 32 2HD ARG 32 -4.263 10.816 -2.529 261 HD3 ARG 32 3HD ARG 32 -5.411 11.429 -3.729 262 HE ARG 32 HE ARG 32 -6.176 9.099 -2.123 263 HH11 ARG 32 1HH1 ARG 32 -6.661 12.546 -2.749 264 HH12 ARG 32 2HH1 ARG 32 -8.147 12.604 -1.856 265 HH21 ARG 32 1HH2 ARG 32 -8.128 9.221 -0.959 266 HH22 ARG 32 2HH2 ARG 32 -8.968 10.739 -0.853 267 H CYS 33 H CYS 33 -0.356 9.556 -3.535 268 HA CYS 33 HA CYS 33 -0.334 10.573 -0.861 269 HB2 CYS 33 2HB CYS 33 1.193 11.512 -3.321 270 HB3 CYS 33 3HB CYS 33 1.512 12.044 -1.666 271 H SER 34 H SER 34 -0.932 12.305 -3.965 272 HA SER 34 HA SER 34 -3.387 13.427 -3.012 273 HB2 SER 34 2HB SER 34 -1.870 15.068 -1.942 274 HB3 SER 34 3HB SER 34 -1.100 15.400 -3.492 275 HG SER 34 HG SER 34 -2.640 16.763 -3.870 276 H ASP 35 H ASP 35 -0.832 14.209 -5.363 277 HA ASP 35 HA ASP 35 -2.708 13.867 -7.623 278 HB2 ASP 35 2HB ASP 35 -1.416 15.986 -7.554 279 HB3 ASP 35 3HB ASP 35 0.095 15.088 -7.499 280 H THR 36 H THR 36 0.527 13.024 -6.500 281 HA THR 36 HA THR 36 1.158 11.031 -8.393 282 HB THR 36 HB THR 36 2.312 11.377 -5.587 283 HG1 THR 36 HG1 THR 36 2.877 12.806 -7.988 284 HG21 THR 36 1HG2 THR 36 3.107 9.363 -6.783 285 HG22 THR 36 2HG2 THR 36 4.398 10.544 -6.572 286 HG23 THR 36 3HG2 THR 36 3.610 10.370 -8.141 287 H LYS 37 H LYS 37 -0.509 9.505 -8.509 288 HA LYS 37 HA LYS 37 -0.944 7.765 -6.151 289 HB2 LYS 37 2HB LYS 37 -2.993 8.929 -7.062 290 HB3 LYS 37 3HB LYS 37 -2.770 8.054 -8.575 291 HG2 LYS 37 2HG LYS 37 -3.103 5.910 -7.423 292 HG3 LYS 37 3HG LYS 37 -3.196 6.737 -5.873 293 HD2 LYS 37 2HD LYS 37 -5.438 6.168 -6.560 294 HD3 LYS 37 3HD LYS 37 -5.259 7.920 -6.658 295 HE2 LYS 37 2HE LYS 37 -6.493 7.027 -8.586 296 HE3 LYS 37 3HE LYS 37 -4.972 7.755 -9.103 297 HZ1 LYS 37 1HZ LYS 37 -5.382 5.658 -10.214 298 HZ2 LYS 37 2HZ LYS 37 -5.474 4.857 -8.730 299 HZ3 LYS 37 3HZ LYS 37 -4.015 5.541 -9.223 300 H TYR 38 H TYR 38 0.542 6.237 -6.323 301 HA TYR 38 HA TYR 38 1.022 4.821 -8.883 302 HB2 TYR 38 2HB TYR 38 3.308 4.269 -7.832 303 HB3 TYR 38 3HB TYR 38 3.055 5.939 -8.294 304 HD1 TYR 38 HD1 TYR 38 3.568 3.670 -5.459 305 HD2 TYR 38 HD2 TYR 38 2.768 7.707 -6.587 306 HE1 TYR 38 HE1 TYR 38 4.140 4.401 -3.201 307 HE2 TYR 38 HE2 TYR 38 3.367 8.448 -4.322 308 HH TYR 38 HH TYR 38 4.904 6.415 -2.088 309 H THR 39 H THR 39 0.944 2.577 -8.859 310 HA THR 39 HA THR 39 -0.141 1.317 -6.404 311 HB THR 39 HB THR 39 -0.841 0.697 -9.312 312 HG1 THR 39 HG1 THR 39 -1.650 2.741 -8.176 313 HG21 THR 39 1HG2 THR 39 -2.663 -0.678 -8.333 314 HG22 THR 39 2HG2 THR 39 -2.022 -0.367 -6.719 315 HG23 THR 39 3HG2 THR 39 -1.072 -1.294 -7.882 316 H LEU 40 H LEU 40 1.469 0.092 -5.587 317 HA LEU 40 HA LEU 40 3.476 -1.213 -7.228 318 HB2 LEU 40 2HB LEU 40 3.128 -0.808 -4.248 319 HB3 LEU 40 3HB LEU 40 4.223 -2.044 -4.839 320 HG LEU 40 HG LEU 40 5.337 -0.094 -6.204 321 HD11 LEU 40 1HD1 LEU 40 3.885 1.526 -4.106 322 HD12 LEU 40 2HD1 LEU 40 3.618 1.581 -5.851 323 HD13 LEU 40 3HD1 LEU 40 5.158 2.116 -5.180 324 HD21 LEU 40 1HD2 LEU 40 6.478 -1.277 -4.399 325 HD22 LEU 40 2HD2 LEU 40 5.654 -0.295 -3.189 326 HD23 LEU 40 3HD2 LEU 40 6.814 0.453 -4.288 327 H CYS 41 H CYS 41 2.837 -2.986 -8.193 328 HA CYS 41 HA CYS 41 1.142 -4.999 -6.909 329 HB2 CYS 41 2HB CYS 41 2.197 -4.650 -9.739 330 HB3 CYS 41 3HB CYS 41 1.297 -6.076 -9.226 Start of MODEL 3 1 H1 SER 1 1H SER 1 0.334 -17.600 2.242 2 H2 SER 1 2H SER 1 0.206 -17.478 3.919 3 H3 SER 1 3H SER 1 1.356 -18.502 3.232 4 HA SER 1 HA SER 1 2.336 -16.487 4.086 5 HB2 SER 1 2HB SER 1 3.512 -15.882 1.871 6 HB3 SER 1 3HB SER 1 3.545 -17.581 2.334 7 HG SER 1 HG SER 1 1.993 -16.317 0.343 8 H GLN 2 H GLN 2 2.500 -14.238 4.087 9 HA GLN 2 HA GLN 2 0.131 -12.774 3.080 10 HB2 GLN 2 2HB GLN 2 0.499 -11.142 4.844 11 HB3 GLN 2 3HB GLN 2 0.434 -12.746 5.548 12 HG2 GLN 2 2HG GLN 2 3.013 -11.239 5.023 13 HG3 GLN 2 3HG GLN 2 2.133 -11.166 6.546 14 HE21 GLN 2 1HE2 GLN 2 4.835 -12.076 6.066 15 HE22 GLN 2 2HE2 GLN 2 4.908 -13.710 6.613 16 H GLU 3 H GLU 3 1.934 -13.237 1.151 17 HA GLU 3 HA GLU 3 4.116 -11.529 0.785 18 HB2 GLU 3 2HB GLU 3 3.976 -12.049 -1.617 19 HB3 GLU 3 3HB GLU 3 3.796 -13.500 -0.650 20 HG2 GLU 3 2HG GLU 3 1.606 -12.010 -2.134 21 HG3 GLU 3 3HG GLU 3 2.338 -13.534 -2.614 22 H THR 4 H THR 4 0.776 -11.129 -0.276 23 HA THR 4 HA THR 4 1.191 -8.533 -1.449 24 HB THR 4 HB THR 4 -1.415 -10.063 -1.019 25 HG1 THR 4 HG1 THR 4 0.671 -10.357 -2.880 26 HG21 THR 4 1HG2 THR 4 -2.197 -8.769 -2.932 27 HG22 THR 4 2HG2 THR 4 -0.631 -7.969 -3.056 28 HG23 THR 4 3HG2 THR 4 -1.662 -7.677 -1.651 29 H ARG 5 H ARG 5 -0.125 -9.908 1.488 30 HA ARG 5 HA ARG 5 -1.702 -7.671 2.290 31 HB2 ARG 5 2HB ARG 5 -0.678 -10.002 3.972 32 HB3 ARG 5 3HB ARG 5 -1.837 -8.794 4.512 33 HG2 ARG 5 2HG ARG 5 -3.140 -10.667 3.990 34 HG3 ARG 5 3HG ARG 5 -3.350 -9.579 2.624 35 HD2 ARG 5 2HD ARG 5 -1.948 -10.949 1.213 36 HD3 ARG 5 3HD ARG 5 -1.397 -11.908 2.595 37 HE ARG 5 HE ARG 5 -4.238 -11.973 2.265 38 HH11 ARG 5 1HH1 ARG 5 -1.285 -13.544 1.098 39 HH12 ARG 5 2HH1 ARG 5 -2.131 -14.987 0.652 40 HH21 ARG 5 1HH2 ARG 5 -5.266 -13.848 1.663 41 HH22 ARG 5 2HH2 ARG 5 -4.369 -15.162 0.970 42 H LYS 6 H LYS 6 1.563 -8.839 3.062 43 HA LYS 6 HA LYS 6 2.166 -7.050 5.154 44 HB2 LYS 6 2HB LYS 6 4.449 -7.807 5.009 45 HB3 LYS 6 3HB LYS 6 3.435 -9.196 4.665 46 HG2 LYS 6 2HG LYS 6 5.018 -9.487 3.013 47 HG3 LYS 6 3HG LYS 6 3.884 -8.471 2.126 48 HD2 LYS 6 2HD LYS 6 5.302 -6.466 2.822 49 HD3 LYS 6 3HD LYS 6 6.484 -7.608 3.461 50 HE2 LYS 6 2HE LYS 6 5.560 -7.487 0.577 51 HE3 LYS 6 3HE LYS 6 7.045 -6.768 1.196 52 HZ1 LYS 6 1HZ LYS 6 7.536 -8.883 0.202 53 HZ2 LYS 6 2HZ LYS 6 6.384 -9.666 1.154 54 HZ3 LYS 6 3HZ LYS 6 7.766 -9.010 1.867 55 H LYS 7 H LYS 7 2.200 -6.721 1.682 56 HA LYS 7 HA LYS 7 3.951 -4.550 1.368 57 HB2 LYS 7 2HB LYS 7 3.156 -5.908 -0.519 58 HB3 LYS 7 3HB LYS 7 1.521 -5.283 -0.310 59 HG2 LYS 7 2HG LYS 7 2.212 -3.049 -0.958 60 HG3 LYS 7 3HG LYS 7 3.916 -3.514 -0.955 61 HD2 LYS 7 2HD LYS 7 1.801 -4.613 -2.846 62 HD3 LYS 7 3HD LYS 7 2.957 -3.341 -3.243 63 HE2 LYS 7 2HE LYS 7 3.683 -6.197 -2.482 64 HE3 LYS 7 3HE LYS 7 3.687 -5.522 -4.115 65 HZ1 LYS 7 1HZ LYS 7 5.895 -5.563 -3.103 66 HZ2 LYS 7 2HZ LYS 7 5.374 -4.524 -1.879 67 HZ3 LYS 7 3HZ LYS 7 5.410 -3.994 -3.485 68 H CYS 8 H CYS 8 0.593 -4.689 2.417 69 HA CYS 8 HA CYS 8 -0.074 -1.969 2.419 70 HB2 CYS 8 2HB CYS 8 -1.705 -3.705 2.976 71 HB3 CYS 8 3HB CYS 8 -0.806 -4.127 4.428 72 H THR 9 H THR 9 1.443 -3.916 5.052 73 HA THR 9 HA THR 9 2.027 -1.821 6.838 74 HB THR 9 HB THR 9 3.389 -4.524 6.406 75 HG1 THR 9 HG1 THR 9 1.605 -3.663 8.463 76 HG21 THR 9 1HG2 THR 9 3.757 -2.652 8.787 77 HG22 THR 9 2HG2 THR 9 4.997 -3.060 7.596 78 HG23 THR 9 3HG2 THR 9 4.356 -4.300 8.679 79 H GLU 10 H GLU 10 3.869 -3.197 4.192 80 HA GLU 10 HA GLU 10 6.375 -2.010 4.512 81 HB2 GLU 10 2HB GLU 10 5.960 -3.960 3.089 82 HB3 GLU 10 3HB GLU 10 4.891 -3.023 2.052 83 HG2 GLU 10 2HG GLU 10 6.859 -1.629 1.383 84 HG3 GLU 10 3HG GLU 10 7.887 -2.706 2.329 85 H MET 11 H MET 11 3.532 -0.976 2.656 86 HA MET 11 HA MET 11 4.810 1.390 1.601 87 HB2 MET 11 2HB MET 11 1.950 0.400 1.413 88 HB3 MET 11 3HB MET 11 2.529 1.861 0.631 89 HG2 MET 11 2HG MET 11 3.578 -0.918 0.046 90 HG3 MET 11 3HG MET 11 2.327 -0.101 -0.882 91 HE1 MET 11 1HE MET 11 6.076 0.662 0.457 92 HE2 MET 11 2HE MET 11 6.844 0.628 -1.129 93 HE3 MET 11 3HE MET 11 6.024 -0.807 -0.519 94 H LYS 12 H LYS 12 2.491 0.697 4.252 95 HA LYS 12 HA LYS 12 1.926 3.478 4.754 96 HB2 LYS 12 2HB LYS 12 1.505 1.125 6.646 97 HB3 LYS 12 3HB LYS 12 0.851 2.747 6.847 98 HG2 LYS 12 2HG LYS 12 -0.228 2.261 4.466 99 HG3 LYS 12 3HG LYS 12 0.024 0.586 4.927 100 HD2 LYS 12 2HD LYS 12 -2.215 1.139 5.545 101 HD3 LYS 12 3HD LYS 12 -1.291 1.078 7.050 102 HE2 LYS 12 2HE LYS 12 -1.146 3.520 7.091 103 HE3 LYS 12 3HE LYS 12 -1.945 3.621 5.521 104 HZ1 LYS 12 1HZ LYS 12 -3.136 2.680 8.067 105 HZ2 LYS 12 2HZ LYS 12 -3.892 2.539 6.567 106 HZ3 LYS 12 3HZ LYS 12 -3.547 4.068 7.192 107 H LYS 13 H LYS 13 4.328 1.210 5.844 108 HA LYS 13 HA LYS 13 5.433 2.531 8.060 109 HB2 LYS 13 2HB LYS 13 5.880 0.187 7.468 110 HB3 LYS 13 3HB LYS 13 6.728 0.688 6.013 111 HG2 LYS 13 2HG LYS 13 8.527 1.641 7.327 112 HG3 LYS 13 3HG LYS 13 7.654 1.330 8.833 113 HD2 LYS 13 2HD LYS 13 8.662 -0.793 6.896 114 HD3 LYS 13 3HD LYS 13 9.443 -0.336 8.410 115 HE2 LYS 13 2HE LYS 13 6.671 -1.564 8.169 116 HE3 LYS 13 3HE LYS 13 8.140 -2.422 8.636 117 HZ1 LYS 13 1HZ LYS 13 8.315 -0.935 10.567 118 HZ2 LYS 13 2HZ LYS 13 6.887 -1.836 10.574 119 HZ3 LYS 13 3HZ LYS 13 6.851 -0.207 10.139 120 H LYS 14 H LYS 14 6.063 2.830 4.609 121 HA LYS 14 HA LYS 14 8.151 4.856 4.921 122 HB2 LYS 14 2HB LYS 14 6.787 3.793 2.404 123 HB3 LYS 14 3HB LYS 14 8.232 4.798 2.448 124 HG2 LYS 14 2HG LYS 14 9.460 2.939 3.568 125 HG3 LYS 14 3HG LYS 14 8.000 1.941 3.461 126 HD2 LYS 14 2HD LYS 14 8.065 2.168 0.971 127 HD3 LYS 14 3HD LYS 14 9.563 3.093 1.108 128 HE2 LYS 14 2HE LYS 14 10.075 0.792 0.514 129 HE3 LYS 14 3HE LYS 14 10.647 1.102 2.156 130 HZ1 LYS 14 1HZ LYS 14 8.649 0.017 2.999 131 HZ2 LYS 14 2HZ LYS 14 9.542 -1.019 2.007 132 HZ3 LYS 14 3HZ LYS 14 8.134 -0.293 1.417 133 H PHE 15 H PHE 15 4.915 4.573 3.568 134 HA PHE 15 HA PHE 15 4.767 7.459 2.988 135 HB2 PHE 15 2HB PHE 15 3.142 5.203 1.734 136 HB3 PHE 15 3HB PHE 15 3.297 6.850 1.144 137 HD1 PHE 15 HD1 PHE 15 4.164 3.681 0.277 138 HD2 PHE 15 HD2 PHE 15 6.100 7.441 0.979 139 HE1 PHE 15 HE1 PHE 15 6.047 2.980 -1.131 140 HE2 PHE 15 HE2 PHE 15 7.981 6.726 -0.436 141 HZ PHE 15 HZ PHE 15 7.961 4.499 -1.489 142 H LYS 16 H LYS 16 4.326 6.923 5.521 143 HA LYS 16 HA LYS 16 1.709 6.306 6.373 144 HB2 LYS 16 2HB LYS 16 2.376 7.477 8.492 145 HB3 LYS 16 3HB LYS 16 3.551 6.287 7.942 146 HG2 LYS 16 2HG LYS 16 4.994 8.062 7.050 147 HG3 LYS 16 3HG LYS 16 3.809 9.288 7.520 148 HD2 LYS 16 2HD LYS 16 4.132 8.652 9.913 149 HD3 LYS 16 3HD LYS 16 5.344 7.464 9.424 150 HE2 LYS 16 2HE LYS 16 6.781 9.250 8.559 151 HE3 LYS 16 3HE LYS 16 5.550 10.458 8.935 152 HZ1 LYS 16 1HZ LYS 16 5.784 9.863 11.288 153 HZ2 LYS 16 2HZ LYS 16 7.235 10.432 10.633 154 HZ3 LYS 16 3HZ LYS 16 7.019 8.779 10.894 155 H ASN 17 H ASN 17 3.097 9.214 5.036 156 HA ASN 17 HA ASN 17 0.775 10.891 5.686 157 HB2 ASN 17 2HB ASN 17 3.395 11.530 4.268 158 HB3 ASN 17 3HB ASN 17 2.123 12.709 4.578 159 HD21 ASN 17 1HD2 ASN 17 1.653 13.284 6.763 160 HD22 ASN 17 2HD2 ASN 17 2.834 13.075 8.006 161 H CYS 18 H CYS 18 1.260 8.615 3.469 162 HA CYS 18 HA CYS 18 -0.308 9.950 1.341 163 HB2 CYS 18 2HB CYS 18 1.504 7.497 1.200 164 HB3 CYS 18 3HB CYS 18 0.506 8.087 -0.125 165 H GLU 19 H GLU 19 -2.075 8.711 0.455 166 HA GLU 19 HA GLU 19 -3.472 7.063 2.406 167 HB2 GLU 19 2HB GLU 19 -4.690 8.816 1.069 168 HB3 GLU 19 3HB GLU 19 -4.348 7.904 -0.391 169 HG2 GLU 19 2HG GLU 19 -5.638 5.974 0.554 170 HG3 GLU 19 3HG GLU 19 -6.065 6.976 1.940 171 H VAL 20 H VAL 20 -2.112 5.263 2.430 172 HA VAL 20 HA VAL 20 -1.548 3.707 0.038 173 HB VAL 20 HB VAL 20 -1.099 3.166 3.017 174 HG11 VAL 20 1HG1 VAL 20 -1.366 1.026 1.828 175 HG12 VAL 20 2HG1 VAL 20 0.308 1.254 2.333 176 HG13 VAL 20 3HG1 VAL 20 -0.147 1.518 0.647 177 HG21 VAL 20 1HG2 VAL 20 0.866 3.938 0.835 178 HG22 VAL 20 2HG2 VAL 20 1.277 3.594 2.517 179 HG23 VAL 20 3HG2 VAL 20 0.279 4.995 2.122 180 H ARG 21 H ARG 21 -3.305 2.727 -0.821 181 HA ARG 21 HA ARG 21 -5.474 1.658 0.826 182 HB2 ARG 21 2HB ARG 21 -5.332 1.918 -2.217 183 HB3 ARG 21 3HB ARG 21 -6.754 1.493 -1.261 184 HG2 ARG 21 2HG ARG 21 -6.280 3.837 -0.093 185 HG3 ARG 21 3HG ARG 21 -5.404 4.170 -1.589 186 HD2 ARG 21 2HD ARG 21 -8.316 3.351 -1.384 187 HD3 ARG 21 3HD ARG 21 -7.728 4.996 -1.623 188 HE ARG 21 HE ARG 21 -6.698 3.412 -3.690 189 HH11 ARG 21 1HH1 ARG 21 -9.805 4.616 -2.561 190 HH12 ARG 21 2HH1 ARG 21 -10.516 4.629 -4.140 191 HH21 ARG 21 1HH2 ARG 21 -7.663 3.446 -5.783 192 HH22 ARG 21 2HH2 ARG 21 -9.308 3.967 -5.966 193 H CYS 22 H CYS 22 -5.023 -0.243 1.584 194 HA CYS 22 HA CYS 22 -3.170 -2.094 0.395 195 HB2 CYS 22 2HB CYS 22 -4.913 -2.448 2.865 196 HB3 CYS 22 3HB CYS 22 -3.407 -3.287 2.480 197 H ASP 23 H ASP 23 -3.739 -4.443 0.136 198 HA ASP 23 HA ASP 23 -6.404 -5.227 -0.503 199 HB2 ASP 23 2HB ASP 23 -6.233 -3.648 -2.367 200 HB3 ASP 23 3HB ASP 23 -4.645 -4.254 -2.811 201 H GLU 24 H GLU 24 -6.521 -7.366 -1.324 202 HA GLU 24 HA GLU 24 -4.117 -8.916 -1.946 203 HB2 GLU 24 2HB GLU 24 -4.655 -10.698 -0.295 204 HB3 GLU 24 3HB GLU 24 -4.277 -9.173 0.503 205 HG2 GLU 24 2HG GLU 24 -6.632 -8.740 0.918 206 HG3 GLU 24 3HG GLU 24 -7.097 -10.166 -0.006 207 H SER 25 H SER 25 -7.111 -8.006 -2.810 208 HA SER 25 HA SER 25 -8.061 -10.588 -3.821 209 HB2 SER 25 2HB SER 25 -9.195 -7.769 -4.155 210 HB3 SER 25 3HB SER 25 -9.970 -9.251 -4.729 211 HG SER 25 HG SER 25 -10.831 -8.823 -2.768 212 H ASN 26 H ASN 26 -7.182 -7.416 -5.172 213 HA ASN 26 HA ASN 26 -6.827 -8.465 -7.873 214 HB2 ASN 26 2HB ASN 26 -6.294 -5.623 -6.883 215 HB3 ASN 26 3HB ASN 26 -6.596 -6.137 -8.540 216 HD21 ASN 26 1HD2 ASN 26 -8.034 -5.508 -5.430 217 HD22 ASN 26 2HD2 ASN 26 -9.673 -5.445 -5.969 218 H HIS 27 H HIS 27 -4.975 -8.014 -5.099 219 HA HIS 27 HA HIS 27 -2.855 -8.327 -4.515 220 HB2 HIS 27 2HB HIS 27 -2.588 -9.540 -7.292 221 HB3 HIS 27 3HB HIS 27 -1.313 -9.603 -6.073 222 HD1 HIS 27 HD1 HIS 27 -3.327 -11.959 -7.340 223 HD2 HIS 27 HD2 HIS 27 -3.160 -10.405 -3.499 224 HE1 HIS 27 HE1 HIS 27 -4.351 -13.691 -5.842 225 HE2 HIS 27 HE2 HIS 27 -4.366 -12.669 -3.567 226 H CYS 28 H CYS 28 -3.438 -5.821 -5.016 227 HA CYS 28 HA CYS 28 -0.897 -4.698 -5.783 228 HB2 CYS 28 2HB CYS 28 -2.119 -5.017 -7.974 229 HB3 CYS 28 3HB CYS 28 -3.322 -3.854 -7.413 230 H VAL 29 H VAL 29 -0.504 -3.164 -4.371 231 HA VAL 29 HA VAL 29 -2.635 -1.815 -2.874 232 HB VAL 29 HB VAL 29 0.395 -1.950 -2.468 233 HG11 VAL 29 1HG1 VAL 29 -0.382 0.268 -1.718 234 HG12 VAL 29 2HG1 VAL 29 0.093 -0.728 -0.342 235 HG13 VAL 29 3HG1 VAL 29 -1.620 -0.494 -0.711 236 HG21 VAL 29 1HG2 VAL 29 -0.815 -4.025 -1.882 237 HG22 VAL 29 2HG2 VAL 29 -1.876 -3.113 -0.804 238 HG23 VAL 29 3HG2 VAL 29 -0.152 -3.248 -0.441 239 H GLU 30 H GLU 30 -3.390 0.048 -3.709 240 HA GLU 30 HA GLU 30 -1.791 1.755 -5.472 241 HB2 GLU 30 2HB GLU 30 -4.178 1.395 -6.037 242 HB3 GLU 30 3HB GLU 30 -4.665 2.063 -4.477 243 HG2 GLU 30 2HG GLU 30 -3.427 4.212 -5.205 244 HG3 GLU 30 3HG GLU 30 -3.394 3.517 -6.811 245 H VAL 31 H VAL 31 -0.472 3.272 -4.536 246 HA VAL 31 HA VAL 31 -1.268 4.462 -1.949 247 HB VAL 31 HB VAL 31 1.411 4.758 -3.362 248 HG11 VAL 31 1HG1 VAL 31 0.928 6.522 -1.738 249 HG12 VAL 31 2HG1 VAL 31 2.200 5.467 -1.119 250 HG13 VAL 31 3HG1 VAL 31 0.551 5.318 -0.504 251 HG21 VAL 31 1HG2 VAL 31 1.035 2.379 -2.865 252 HG22 VAL 31 2HG2 VAL 31 0.672 2.776 -1.180 253 HG23 VAL 31 3HG2 VAL 31 2.295 3.047 -1.826 254 H ARG 32 H ARG 32 -2.507 6.133 -2.254 255 HA ARG 32 HA ARG 32 -2.120 8.115 -4.409 256 HB2 ARG 32 2HB ARG 32 -4.345 7.010 -4.207 257 HB3 ARG 32 3HB ARG 32 -4.462 7.534 -2.532 258 HG2 ARG 32 2HG ARG 32 -4.485 9.909 -3.320 259 HG3 ARG 32 3HG ARG 32 -4.472 9.323 -4.978 260 HD2 ARG 32 2HD ARG 32 -6.642 8.878 -2.908 261 HD3 ARG 32 3HD ARG 32 -6.747 9.877 -4.356 262 HE ARG 32 HE ARG 32 -6.424 6.928 -4.456 263 HH11 ARG 32 1HH1 ARG 32 -8.115 9.829 -5.582 264 HH12 ARG 32 2HH1 ARG 32 -9.076 8.948 -6.733 265 HH21 ARG 32 1HH2 ARG 32 -7.627 5.831 -5.984 266 HH22 ARG 32 2HH2 ARG 32 -8.799 6.669 -6.964 267 H CYS 33 H CYS 33 -0.425 9.381 -3.446 268 HA CYS 33 HA CYS 33 -0.389 10.123 -0.706 269 HB2 CYS 33 2HB CYS 33 1.090 11.283 -3.086 270 HB3 CYS 33 3HB CYS 33 1.366 11.798 -1.421 271 H SER 34 H SER 34 -1.200 12.129 -3.568 272 HA SER 34 HA SER 34 -3.579 13.165 -2.454 273 HB2 SER 34 2HB SER 34 -1.947 14.525 -1.063 274 HB3 SER 34 3HB SER 34 -1.313 15.236 -2.548 275 HG SER 34 HG SER 34 -3.000 16.500 -2.644 276 H ASP 35 H ASP 35 -0.977 14.526 -4.455 277 HA ASP 35 HA ASP 35 -2.717 14.588 -6.847 278 HB2 ASP 35 2HB ASP 35 -1.661 16.732 -6.262 279 HB3 ASP 35 3HB ASP 35 -0.073 15.979 -6.195 280 H THR 36 H THR 36 0.323 13.416 -5.524 281 HA THR 36 HA THR 36 1.097 11.968 -7.919 282 HB THR 36 HB THR 36 2.393 12.141 -5.154 283 HG1 THR 36 HG1 THR 36 2.519 13.656 -7.492 284 HG21 THR 36 1HG2 THR 36 3.515 10.992 -7.745 285 HG22 THR 36 2HG2 THR 36 3.098 10.059 -6.303 286 HG23 THR 36 3HG2 THR 36 4.423 11.225 -6.252 287 H LYS 37 H LYS 37 0.459 9.949 -8.304 288 HA LYS 37 HA LYS 37 -0.298 8.121 -6.107 289 HB2 LYS 37 2HB LYS 37 -2.351 8.930 -7.227 290 HB3 LYS 37 3HB LYS 37 -1.712 8.450 -8.796 291 HG2 LYS 37 2HG LYS 37 -1.700 6.054 -7.988 292 HG3 LYS 37 3HG LYS 37 -2.479 6.599 -6.497 293 HD2 LYS 37 2HD LYS 37 -3.619 6.838 -9.313 294 HD3 LYS 37 3HD LYS 37 -4.140 5.694 -8.072 295 HE2 LYS 37 2HE LYS 37 -4.883 7.575 -6.654 296 HE3 LYS 37 3HE LYS 37 -4.361 8.720 -7.895 297 HZ1 LYS 37 1HZ LYS 37 -5.935 7.594 -9.421 298 HZ2 LYS 37 2HZ LYS 37 -6.674 8.393 -8.129 299 HZ3 LYS 37 3HZ LYS 37 -6.526 6.710 -8.108 300 H TYR 38 H TYR 38 0.789 6.297 -6.205 301 HA TYR 38 HA TYR 38 1.785 5.184 -8.740 302 HB2 TYR 38 2HB TYR 38 3.913 4.494 -7.471 303 HB3 TYR 38 3HB TYR 38 3.781 6.188 -7.892 304 HD1 TYR 38 HD1 TYR 38 3.884 3.798 -5.110 305 HD2 TYR 38 HD2 TYR 38 3.364 7.907 -6.161 306 HE1 TYR 38 HE1 TYR 38 4.200 4.429 -2.765 307 HE2 TYR 38 HE2 TYR 38 3.708 8.552 -3.828 308 HH TYR 38 HH TYR 38 3.414 7.496 -1.607 309 H THR 39 H THR 39 1.529 3.012 -8.846 310 HA THR 39 HA THR 39 0.102 1.725 -6.592 311 HB THR 39 HB THR 39 -0.322 1.165 -9.569 312 HG1 THR 39 HG1 THR 39 -0.920 3.377 -8.881 313 HG21 THR 39 1HG2 THR 39 -2.437 0.150 -8.796 314 HG22 THR 39 2HG2 THR 39 -2.018 0.532 -7.126 315 HG23 THR 39 3HG2 THR 39 -1.049 -0.627 -8.028 316 H LEU 40 H LEU 40 1.225 0.084 -5.759 317 HA LEU 40 HA LEU 40 3.362 -1.245 -7.287 318 HB2 LEU 40 2HB LEU 40 2.958 -0.679 -4.341 319 HB3 LEU 40 3HB LEU 40 3.873 -2.110 -4.800 320 HG LEU 40 HG LEU 40 5.337 -0.481 -6.220 321 HD11 LEU 40 1HD1 LEU 40 3.884 1.463 -6.157 322 HD12 LEU 40 2HD1 LEU 40 5.451 1.832 -5.444 323 HD13 LEU 40 3HD1 LEU 40 4.051 1.564 -4.402 324 HD21 LEU 40 1HD2 LEU 40 5.456 -0.381 -3.192 325 HD22 LEU 40 2HD2 LEU 40 6.775 0.040 -4.285 326 HD23 LEU 40 3HD2 LEU 40 6.172 -1.614 -4.229 327 H CYS 41 H CYS 41 2.373 -2.827 -8.382 328 HA CYS 41 HA CYS 41 0.563 -4.718 -7.070 329 HB2 CYS 41 2HB CYS 41 1.569 -4.665 -9.945 330 HB3 CYS 41 3HB CYS 41 0.290 -5.695 -9.313 Start of MODEL 4 1 H1 SER 1 1H SER 1 -4.664 -15.163 1.035 2 H2 SER 1 2H SER 1 -4.872 -13.487 1.033 3 H3 SER 1 3H SER 1 -4.357 -14.268 2.433 4 HA SER 1 HA SER 1 -2.317 -14.898 1.408 5 HB2 SER 1 2HB SER 1 -1.776 -13.962 -0.882 6 HB3 SER 1 3HB SER 1 -3.078 -15.148 -0.893 7 HG SER 1 HG SER 1 -4.299 -13.688 -1.730 8 H GLN 2 H GLN 2 -0.712 -13.683 2.225 9 HA GLN 2 HA GLN 2 -1.187 -10.885 2.955 10 HB2 GLN 2 2HB GLN 2 -0.427 -12.589 4.648 11 HB3 GLN 2 3HB GLN 2 1.074 -12.774 3.752 12 HG2 GLN 2 2HG GLN 2 1.565 -10.346 4.199 13 HG3 GLN 2 3HG GLN 2 0.123 -10.283 5.211 14 HE21 GLN 2 1HE2 GLN 2 3.003 -9.890 5.859 15 HE22 GLN 2 2HE2 GLN 2 3.314 -10.976 7.165 16 H GLU 3 H GLU 3 -0.417 -11.932 0.150 17 HA GLU 3 HA GLU 3 2.150 -11.039 -0.592 18 HB2 GLU 3 2HB GLU 3 -0.379 -10.992 -2.309 19 HB3 GLU 3 3HB GLU 3 1.282 -10.990 -2.903 20 HG2 GLU 3 2HG GLU 3 1.629 -13.251 -1.998 21 HG3 GLU 3 3HG GLU 3 -0.008 -13.249 -1.341 22 H THR 4 H THR 4 -0.969 -9.424 -1.079 23 HA THR 4 HA THR 4 0.019 -6.825 -1.589 24 HB THR 4 HB THR 4 -2.203 -7.465 -2.342 25 HG1 THR 4 HG1 THR 4 -2.552 -5.393 -2.122 26 HG21 THR 4 1HG2 THR 4 -2.989 -7.693 0.590 27 HG22 THR 4 2HG2 THR 4 -2.870 -9.027 -0.556 28 HG23 THR 4 3HG2 THR 4 -4.097 -7.789 -0.790 29 H ARG 5 H ARG 5 -0.890 -8.498 1.399 30 HA ARG 5 HA ARG 5 -1.443 -6.137 2.923 31 HB2 ARG 5 2HB ARG 5 -0.910 -8.959 3.928 32 HB3 ARG 5 3HB ARG 5 -1.684 -7.659 4.828 33 HG2 ARG 5 2HG ARG 5 -3.627 -7.722 3.383 34 HG3 ARG 5 3HG ARG 5 -2.841 -8.884 2.305 35 HD2 ARG 5 2HD ARG 5 -2.808 -10.551 4.125 36 HD3 ARG 5 3HD ARG 5 -3.568 -9.393 5.218 37 HE ARG 5 HE ARG 5 -4.824 -10.773 2.938 38 HH11 ARG 5 1HH1 ARG 5 -5.196 -8.625 5.710 39 HH12 ARG 5 2HH1 ARG 5 -6.928 -8.759 5.721 40 HH21 ARG 5 1HH2 ARG 5 -7.069 -10.992 3.012 41 HH22 ARG 5 2HH2 ARG 5 -7.992 -10.107 4.189 42 H LYS 6 H LYS 6 1.341 -8.342 2.695 43 HA LYS 6 HA LYS 6 2.961 -7.245 4.721 44 HB2 LYS 6 2HB LYS 6 3.682 -9.359 3.984 45 HB3 LYS 6 3HB LYS 6 3.478 -8.966 2.289 46 HG2 LYS 6 2HG LYS 6 5.644 -7.511 3.772 47 HG3 LYS 6 3HG LYS 6 5.908 -9.221 3.451 48 HD2 LYS 6 2HD LYS 6 6.216 -8.891 1.183 49 HD3 LYS 6 3HD LYS 6 4.988 -7.631 1.090 50 HE2 LYS 6 2HE LYS 6 7.193 -6.728 0.557 51 HE3 LYS 6 3HE LYS 6 6.574 -6.006 2.041 52 HZ1 LYS 6 1HZ LYS 6 7.992 -7.645 3.265 53 HZ2 LYS 6 2HZ LYS 6 8.852 -6.506 2.362 54 HZ3 LYS 6 3HZ LYS 6 8.679 -8.085 1.786 55 H LYS 7 H LYS 7 2.770 -6.593 1.225 56 HA LYS 7 HA LYS 7 4.766 -4.560 1.214 57 HB2 LYS 7 2HB LYS 7 4.378 -5.849 -0.796 58 HB3 LYS 7 3HB LYS 7 2.685 -5.366 -0.850 59 HG2 LYS 7 2HG LYS 7 3.258 -3.096 -1.438 60 HG3 LYS 7 3HG LYS 7 4.966 -3.372 -1.102 61 HD2 LYS 7 2HD LYS 7 3.410 -4.737 -3.323 62 HD3 LYS 7 3HD LYS 7 4.397 -3.295 -3.542 63 HE2 LYS 7 2HE LYS 7 6.398 -4.567 -2.821 64 HE3 LYS 7 3HE LYS 7 5.403 -6.014 -2.634 65 HZ1 LYS 7 1HZ LYS 7 4.875 -5.872 -5.005 66 HZ2 LYS 7 2HZ LYS 7 6.533 -6.043 -4.734 67 HZ3 LYS 7 3HZ LYS 7 5.894 -4.536 -5.165 68 H CYS 8 H CYS 8 1.291 -4.590 1.691 69 HA CYS 8 HA CYS 8 0.766 -1.835 1.267 70 HB2 CYS 8 2HB CYS 8 -1.039 -3.562 1.354 71 HB3 CYS 8 3HB CYS 8 -0.758 -3.746 3.084 72 H THR 9 H THR 9 1.339 -3.771 4.223 73 HA THR 9 HA THR 9 1.426 -1.715 6.116 74 HB THR 9 HB THR 9 3.009 -4.329 6.141 75 HG1 THR 9 HG1 THR 9 1.203 -5.288 6.760 76 HG21 THR 9 1HG2 THR 9 3.729 -2.736 7.917 77 HG22 THR 9 2HG2 THR 9 2.916 -4.148 8.595 78 HG23 THR 9 3HG2 THR 9 2.054 -2.615 8.467 79 H GLU 10 H GLU 10 3.960 -3.104 4.072 80 HA GLU 10 HA GLU 10 6.192 -1.745 5.144 81 HB2 GLU 10 2HB GLU 10 6.308 -3.837 3.798 82 HB3 GLU 10 3HB GLU 10 5.828 -2.937 2.365 83 HG2 GLU 10 2HG GLU 10 7.897 -1.690 2.359 84 HG3 GLU 10 3HG GLU 10 8.340 -2.310 3.949 85 H MET 11 H MET 11 3.879 -0.903 2.602 86 HA MET 11 HA MET 11 5.264 1.548 1.907 87 HB2 MET 11 2HB MET 11 2.582 0.448 1.019 88 HB3 MET 11 3HB MET 11 3.236 1.984 0.470 89 HG2 MET 11 2HG MET 11 4.616 -0.675 0.025 90 HG3 MET 11 3HG MET 11 3.523 0.071 -1.130 91 HE1 MET 11 1HE MET 11 7.186 -0.224 0.041 92 HE2 MET 11 2HE MET 11 6.794 1.190 1.019 93 HE3 MET 11 3HE MET 11 7.888 1.343 -0.354 94 H LYS 12 H LYS 12 2.672 0.648 4.171 95 HA LYS 12 HA LYS 12 1.656 3.304 4.566 96 HB2 LYS 12 2HB LYS 12 1.546 0.924 6.477 97 HB3 LYS 12 3HB LYS 12 0.653 2.428 6.687 98 HG2 LYS 12 2HG LYS 12 -0.479 1.926 4.463 99 HG3 LYS 12 3HG LYS 12 0.262 0.336 4.539 100 HD2 LYS 12 2HD LYS 12 -1.938 0.037 5.383 101 HD3 LYS 12 3HD LYS 12 -0.897 0.047 6.810 102 HE2 LYS 12 2HE LYS 12 -1.496 2.409 7.226 103 HE3 LYS 12 3HE LYS 12 -2.511 2.409 5.783 104 HZ1 LYS 12 1HZ LYS 12 -2.934 0.658 8.143 105 HZ2 LYS 12 2HZ LYS 12 -3.939 0.780 6.792 106 HZ3 LYS 12 3HZ LYS 12 -3.776 2.091 7.844 107 H LYS 13 H LYS 13 4.162 1.353 6.115 108 HA LYS 13 HA LYS 13 4.818 3.282 8.136 109 HB2 LYS 13 2HB LYS 13 6.643 1.795 8.730 110 HB3 LYS 13 3HB LYS 13 5.200 0.836 8.434 111 HG2 LYS 13 2HG LYS 13 6.077 0.266 6.171 112 HG3 LYS 13 3HG LYS 13 7.544 1.175 6.531 113 HD2 LYS 13 2HD LYS 13 7.983 -1.188 6.859 114 HD3 LYS 13 3HD LYS 13 8.009 -0.389 8.429 115 HE2 LYS 13 2HE LYS 13 5.765 -1.250 8.923 116 HE3 LYS 13 3HE LYS 13 5.666 -1.969 7.313 117 HZ1 LYS 13 1HZ LYS 13 7.451 -3.456 7.859 118 HZ2 LYS 13 2HZ LYS 13 6.273 -3.573 9.064 119 HZ3 LYS 13 3HZ LYS 13 7.696 -2.713 9.354 120 H LYS 14 H LYS 14 5.835 2.716 4.842 121 HA LYS 14 HA LYS 14 8.198 4.424 4.966 122 HB2 LYS 14 2HB LYS 14 7.550 2.310 3.378 123 HB3 LYS 14 3HB LYS 14 6.959 3.581 2.334 124 HG2 LYS 14 2HG LYS 14 9.784 3.777 3.366 125 HG3 LYS 14 3HG LYS 14 9.428 2.569 2.142 126 HD2 LYS 14 2HD LYS 14 10.078 4.295 0.770 127 HD3 LYS 14 3HD LYS 14 8.358 4.655 0.867 128 HE2 LYS 14 2HE LYS 14 9.557 6.710 1.119 129 HE3 LYS 14 3HE LYS 14 8.916 6.301 2.705 130 HZ1 LYS 14 1HZ LYS 14 11.155 7.023 2.972 131 HZ2 LYS 14 2HZ LYS 14 11.714 5.984 1.768 132 HZ3 LYS 14 3HZ LYS 14 11.152 5.351 3.223 133 H PHE 15 H PHE 15 4.800 4.635 4.141 134 HA PHE 15 HA PHE 15 5.054 7.495 3.384 135 HB2 PHE 15 2HB PHE 15 3.157 5.470 2.116 136 HB3 PHE 15 3HB PHE 15 3.268 7.173 1.705 137 HD1 PHE 15 HD1 PHE 15 4.120 4.010 0.554 138 HD2 PHE 15 HD2 PHE 15 5.880 7.880 1.082 139 HE1 PHE 15 HE1 PHE 15 5.787 3.500 -1.177 140 HE2 PHE 15 HE2 PHE 15 7.540 7.348 -0.657 141 HZ PHE 15 HZ PHE 15 7.496 5.159 -1.787 142 H LYS 16 H LYS 16 4.647 7.663 5.749 143 HA LYS 16 HA LYS 16 2.145 6.993 6.930 144 HB2 LYS 16 2HB LYS 16 2.780 8.539 8.751 145 HB3 LYS 16 3HB LYS 16 4.120 7.484 8.318 146 HG2 LYS 16 2HG LYS 16 5.301 9.253 7.213 147 HG3 LYS 16 3HG LYS 16 3.888 10.310 7.229 148 HD2 LYS 16 2HD LYS 16 5.533 11.041 8.889 149 HD3 LYS 16 3HD LYS 16 4.053 10.510 9.686 150 HE2 LYS 16 2HE LYS 16 6.012 9.722 10.913 151 HE3 LYS 16 3HE LYS 16 5.157 8.343 10.221 152 HZ1 LYS 16 1HZ LYS 16 6.778 8.240 8.464 153 HZ2 LYS 16 2HZ LYS 16 7.568 8.196 9.954 154 HZ3 LYS 16 3HZ LYS 16 7.568 9.618 9.041 155 H ASN 17 H ASN 17 3.100 9.553 4.818 156 HA ASN 17 HA ASN 17 0.857 11.330 5.516 157 HB2 ASN 17 2HB ASN 17 3.174 11.690 3.559 158 HB3 ASN 17 3HB ASN 17 1.958 12.918 3.910 159 HD21 ASN 17 1HD2 ASN 17 4.904 12.876 4.329 160 HD22 ASN 17 2HD2 ASN 17 5.126 13.276 5.992 161 H CYS 18 H CYS 18 1.562 8.851 3.258 162 HA CYS 18 HA CYS 18 -0.441 9.794 1.306 163 HB2 CYS 18 2HB CYS 18 1.688 7.647 1.118 164 HB3 CYS 18 3HB CYS 18 0.487 7.949 -0.133 165 H GLU 19 H GLU 19 -2.070 8.430 0.577 166 HA GLU 19 HA GLU 19 -3.311 6.820 2.649 167 HB2 GLU 19 2HB GLU 19 -4.505 8.657 1.323 168 HB3 GLU 19 3HB GLU 19 -4.402 7.615 -0.087 169 HG2 GLU 19 2HG GLU 19 -5.797 5.914 1.046 170 HG3 GLU 19 3HG GLU 19 -5.873 6.929 2.487 171 H VAL 20 H VAL 20 -1.900 5.028 2.558 172 HA VAL 20 HA VAL 20 -1.430 3.509 0.121 173 HB VAL 20 HB VAL 20 -0.712 2.881 3.026 174 HG11 VAL 20 1HG1 VAL 20 0.959 1.328 2.061 175 HG12 VAL 20 2HG1 VAL 20 0.348 1.683 0.443 176 HG13 VAL 20 3HG1 VAL 20 -0.687 0.870 1.620 177 HG21 VAL 20 1HG2 VAL 20 0.290 5.013 2.276 178 HG22 VAL 20 2HG2 VAL 20 1.017 4.178 0.902 179 HG23 VAL 20 3HG2 VAL 20 1.514 3.767 2.541 180 H ARG 21 H ARG 21 -2.963 2.039 -0.578 181 HA ARG 21 HA ARG 21 -4.980 0.988 1.330 182 HB2 ARG 21 2HB ARG 21 -5.172 1.464 -1.676 183 HB3 ARG 21 3HB ARG 21 -6.446 0.743 -0.697 184 HG2 ARG 21 2HG ARG 21 -6.614 2.876 0.596 185 HG3 ARG 21 3HG ARG 21 -5.390 3.588 -0.460 186 HD2 ARG 21 2HD ARG 21 -6.862 3.333 -2.393 187 HD3 ARG 21 3HD ARG 21 -8.058 2.482 -1.414 188 HE ARG 21 HE ARG 21 -7.354 5.256 -0.715 189 HH11 ARG 21 1HH1 ARG 21 -9.759 3.020 -2.007 190 HH12 ARG 21 2HH1 ARG 21 -11.059 4.160 -1.893 191 HH21 ARG 21 1HH2 ARG 21 -9.084 6.750 -0.601 192 HH22 ARG 21 2HH2 ARG 21 -10.675 6.278 -1.097 193 H CYS 22 H CYS 22 -4.931 -1.136 1.734 194 HA CYS 22 HA CYS 22 -3.360 -3.027 0.185 195 HB2 CYS 22 2HB CYS 22 -5.281 -3.822 2.387 196 HB3 CYS 22 3HB CYS 22 -3.722 -4.527 1.966 197 H ASP 23 H ASP 23 -4.383 -5.031 -0.752 198 HA ASP 23 HA ASP 23 -7.192 -5.083 -1.376 199 HB2 ASP 23 2HB ASP 23 -6.245 -3.129 -2.824 200 HB3 ASP 23 3HB ASP 23 -5.437 -4.371 -3.771 201 H GLU 24 H GLU 24 -7.243 -7.262 -1.045 202 HA GLU 24 HA GLU 24 -5.169 -9.045 -1.992 203 HB2 GLU 24 2HB GLU 24 -6.255 -9.300 0.238 204 HB3 GLU 24 3HB GLU 24 -7.776 -9.689 -0.557 205 HG2 GLU 24 2HG GLU 24 -6.717 -11.718 -1.548 206 HG3 GLU 24 3HG GLU 24 -5.211 -11.325 -0.714 207 H SER 25 H SER 25 -8.284 -7.986 -3.109 208 HA SER 25 HA SER 25 -8.973 -10.152 -4.808 209 HB2 SER 25 2HB SER 25 -9.678 -7.195 -5.063 210 HB3 SER 25 3HB SER 25 -10.532 -8.534 -5.846 211 HG SER 25 HG SER 25 -10.598 -9.233 -3.402 212 H ASN 26 H ASN 26 -7.262 -7.100 -5.389 213 HA ASN 26 HA ASN 26 -6.414 -7.822 -8.082 214 HB2 ASN 26 2HB ASN 26 -5.723 -5.376 -6.383 215 HB3 ASN 26 3HB ASN 26 -5.339 -5.575 -8.093 216 HD21 ASN 26 1HD2 ASN 26 -6.893 -3.495 -6.807 217 HD22 ASN 26 2HD2 ASN 26 -8.457 -3.517 -7.535 218 H HIS 27 H HIS 27 -5.341 -8.337 -4.901 219 HA HIS 27 HA HIS 27 -3.474 -9.052 -3.868 220 HB2 HIS 27 2HB HIS 27 -2.640 -9.966 -6.658 221 HB3 HIS 27 3HB HIS 27 -1.866 -10.477 -5.163 222 HD1 HIS 27 HD1 HIS 27 -3.025 -12.298 -3.768 223 HD2 HIS 27 HD2 HIS 27 -5.204 -11.157 -7.121 224 HE1 HIS 27 HE1 HIS 27 -4.867 -13.983 -3.993 225 HE2 HIS 27 HE2 HIS 27 -6.223 -13.211 -5.960 226 H CYS 28 H CYS 28 -3.579 -6.313 -4.839 227 HA CYS 28 HA CYS 28 -0.724 -5.624 -5.180 228 HB2 CYS 28 2HB CYS 28 -1.814 -5.672 -7.422 229 HB3 CYS 28 3HB CYS 28 -3.006 -4.501 -6.864 230 H VAL 29 H VAL 29 -0.239 -3.383 -4.649 231 HA VAL 29 HA VAL 29 -2.076 -2.211 -2.624 232 HB VAL 29 HB VAL 29 0.957 -1.870 -2.867 233 HG11 VAL 29 1HG1 VAL 29 -0.904 -0.953 -0.644 234 HG12 VAL 29 2HG1 VAL 29 -0.101 0.096 -1.813 235 HG13 VAL 29 3HG1 VAL 29 0.856 -0.810 -0.636 236 HG21 VAL 29 1HG2 VAL 29 1.135 -3.302 -0.883 237 HG22 VAL 29 2HG2 VAL 29 0.375 -4.167 -2.226 238 HG23 VAL 29 3HG2 VAL 29 -0.613 -3.549 -0.896 239 H GLU 30 H GLU 30 -2.947 -0.275 -3.148 240 HA GLU 30 HA GLU 30 -1.612 1.404 -5.205 241 HB2 GLU 30 2HB GLU 30 -3.823 0.671 -5.923 242 HB3 GLU 30 3HB GLU 30 -4.550 1.272 -4.433 243 HG2 GLU 30 2HG GLU 30 -4.082 3.575 -5.039 244 HG3 GLU 30 3HG GLU 30 -3.105 3.068 -6.411 245 H VAL 31 H VAL 31 -0.557 3.046 -4.341 246 HA VAL 31 HA VAL 31 -1.333 4.195 -1.742 247 HB VAL 31 HB VAL 31 1.223 4.659 -3.338 248 HG11 VAL 31 1HG1 VAL 31 2.121 5.456 -1.158 249 HG12 VAL 31 2HG1 VAL 31 0.519 5.243 -0.446 250 HG13 VAL 31 3HG1 VAL 31 0.762 6.430 -1.728 251 HG21 VAL 31 1HG2 VAL 31 0.787 2.686 -1.069 252 HG22 VAL 31 2HG2 VAL 31 2.337 3.053 -1.835 253 HG23 VAL 31 3HG2 VAL 31 1.055 2.271 -2.765 254 H ARG 32 H ARG 32 -2.641 5.929 -1.929 255 HA ARG 32 HA ARG 32 -2.531 7.722 -4.254 256 HB2 ARG 32 2HB ARG 32 -4.739 6.767 -3.531 257 HB3 ARG 32 3HB ARG 32 -4.553 7.571 -1.974 258 HG2 ARG 32 2HG ARG 32 -4.488 9.781 -3.227 259 HG3 ARG 32 3HG ARG 32 -4.889 8.880 -4.686 260 HD2 ARG 32 2HD ARG 32 -6.587 9.123 -2.190 261 HD3 ARG 32 3HD ARG 32 -6.889 9.894 -3.749 262 HE ARG 32 HE ARG 32 -6.790 6.987 -3.773 263 HH11 ARG 32 1HH1 ARG 32 -8.864 9.820 -3.560 264 HH12 ARG 32 2HH1 ARG 32 -10.293 8.958 -4.020 265 HH21 ARG 32 1HH2 ARG 32 -8.674 5.858 -4.348 266 HH22 ARG 32 2HH2 ARG 32 -10.182 6.697 -4.469 267 H CYS 33 H CYS 33 -0.617 8.973 -3.689 268 HA CYS 33 HA CYS 33 -0.815 10.746 -1.344 269 HB2 CYS 33 2HB CYS 33 1.136 10.940 -3.670 270 HB3 CYS 33 3HB CYS 33 1.297 11.686 -2.083 271 H SER 34 H SER 34 -0.837 13.161 -1.734 272 HA SER 34 HA SER 34 -3.180 13.897 -3.065 273 HB2 SER 34 2HB SER 34 -0.910 15.694 -2.130 274 HB3 SER 34 3HB SER 34 -2.569 16.217 -2.452 275 HG SER 34 HG SER 34 -2.554 15.835 -0.331 276 H ASP 35 H ASP 35 0.166 14.140 -4.149 277 HA ASP 35 HA ASP 35 -0.700 15.229 -6.778 278 HB2 ASP 35 2HB ASP 35 1.917 15.730 -5.282 279 HB3 ASP 35 3HB ASP 35 1.533 16.347 -6.884 280 H THR 36 H THR 36 0.333 12.421 -5.378 281 HA THR 36 HA THR 36 1.619 11.461 -7.835 282 HB THR 36 HB THR 36 3.018 11.101 -5.133 283 HG1 THR 36 HG1 THR 36 3.348 12.994 -7.195 284 HG21 THR 36 1HG2 THR 36 4.902 10.244 -6.477 285 HG22 THR 36 2HG2 THR 36 3.953 10.441 -7.949 286 HG23 THR 36 3HG2 THR 36 3.460 9.259 -6.739 287 H LYS 37 H LYS 37 -0.214 10.117 -8.137 288 HA LYS 37 HA LYS 37 -0.785 8.043 -6.123 289 HB2 LYS 37 2HB LYS 37 -2.592 9.330 -7.520 290 HB3 LYS 37 3HB LYS 37 -2.142 8.265 -8.836 291 HG2 LYS 37 2HG LYS 37 -2.719 6.760 -6.367 292 HG3 LYS 37 3HG LYS 37 -4.076 7.766 -6.849 293 HD2 LYS 37 2HD LYS 37 -4.455 5.618 -7.824 294 HD3 LYS 37 3HD LYS 37 -3.940 6.664 -9.145 295 HE2 LYS 37 2HE LYS 37 -1.676 5.679 -9.040 296 HE3 LYS 37 3HE LYS 37 -2.173 4.685 -7.670 297 HZ1 LYS 37 1HZ LYS 37 -3.267 4.514 -10.427 298 HZ2 LYS 37 2HZ LYS 37 -3.800 3.607 -9.114 299 HZ3 LYS 37 3HZ LYS 37 -2.229 3.405 -9.689 300 H TYR 38 H TYR 38 0.353 6.224 -6.185 301 HA TYR 38 HA TYR 38 1.288 5.059 -8.732 302 HB2 TYR 38 2HB TYR 38 3.473 4.424 -7.558 303 HB3 TYR 38 3HB TYR 38 3.296 6.116 -7.977 304 HD1 TYR 38 HD1 TYR 38 3.758 3.774 -5.182 305 HD2 TYR 38 HD2 TYR 38 2.759 7.796 -6.212 306 HE1 TYR 38 HE1 TYR 38 4.194 4.481 -2.883 307 HE2 TYR 38 HE2 TYR 38 3.223 8.502 -3.925 308 HH TYR 38 HH TYR 38 3.239 7.490 -1.686 309 H THR 39 H THR 39 1.710 2.784 -8.593 310 HA THR 39 HA THR 39 0.246 1.395 -6.429 311 HB THR 39 HB THR 39 -0.047 0.886 -9.436 312 HG1 THR 39 HG1 THR 39 -2.357 1.551 -8.267 313 HG21 THR 39 1HG2 THR 39 -0.369 -1.180 -8.130 314 HG22 THR 39 2HG2 THR 39 -1.896 -0.616 -8.811 315 HG23 THR 39 3HG2 THR 39 -1.546 -0.350 -7.103 316 H LEU 40 H LEU 40 1.469 -0.149 -5.559 317 HA LEU 40 HA LEU 40 3.694 -1.412 -7.063 318 HB2 LEU 40 2HB LEU 40 3.472 -0.575 -4.150 319 HB3 LEU 40 3HB LEU 40 4.510 -1.918 -4.590 320 HG LEU 40 HG LEU 40 5.763 -0.334 -6.145 321 HD11 LEU 40 1HD1 LEU 40 4.188 1.802 -4.694 322 HD12 LEU 40 2HD1 LEU 40 4.084 1.406 -6.411 323 HD13 LEU 40 3HD1 LEU 40 5.574 2.081 -5.754 324 HD21 LEU 40 1HD2 LEU 40 7.078 0.678 -4.325 325 HD22 LEU 40 2HD2 LEU 40 6.671 -1.004 -3.979 326 HD23 LEU 40 3HD2 LEU 40 5.787 0.299 -3.183 327 H CYS 41 H CYS 41 2.884 -3.317 -7.751 328 HA CYS 41 HA CYS 41 1.007 -4.877 -6.142 329 HB2 CYS 41 2HB CYS 41 2.120 -5.404 -8.927 330 HB3 CYS 41 3HB CYS 41 0.840 -6.322 -8.138 Start of MODEL 5 1 H1 SER 1 1H SER 1 -1.871 -17.020 4.653 2 H2 SER 1 2H SER 1 -2.393 -15.678 3.771 3 H3 SER 1 3H SER 1 -2.023 -15.518 5.411 4 HA SER 1 HA SER 1 0.269 -15.988 5.002 5 HB2 SER 1 2HB SER 1 -0.522 -16.050 2.057 6 HB3 SER 1 3HB SER 1 1.102 -16.291 2.714 7 HG SER 1 HG SER 1 0.491 -18.248 3.513 8 H GLN 2 H GLN 2 0.798 -13.947 5.694 9 HA GLN 2 HA GLN 2 -0.219 -11.535 4.491 10 HB2 GLN 2 2HB GLN 2 0.394 -11.713 6.923 11 HB3 GLN 2 3HB GLN 2 2.089 -11.821 6.459 12 HG2 GLN 2 2HG GLN 2 1.904 -9.558 5.415 13 HG3 GLN 2 3HG GLN 2 0.239 -9.463 5.981 14 HE21 GLN 2 1HE2 GLN 2 3.600 -9.429 6.948 15 HE22 GLN 2 2HE2 GLN 2 3.341 -8.789 8.530 16 H GLU 3 H GLU 3 0.375 -11.395 2.398 17 HA GLU 3 HA GLU 3 3.241 -11.313 1.669 18 HB2 GLU 3 2HB GLU 3 2.327 -13.432 0.908 19 HB3 GLU 3 3HB GLU 3 0.915 -12.651 0.230 20 HG2 GLU 3 2HG GLU 3 3.651 -12.034 -0.888 21 HG3 GLU 3 3HG GLU 3 2.837 -13.529 -1.332 22 H THR 4 H THR 4 0.055 -10.570 0.153 23 HA THR 4 HA THR 4 1.063 -8.091 -0.958 24 HB THR 4 HB THR 4 -0.541 -9.413 -2.246 25 HG1 THR 4 HG1 THR 4 -1.835 -7.005 -1.464 26 HG21 THR 4 1HG2 THR 4 -1.900 -10.375 -0.414 27 HG22 THR 4 2HG2 THR 4 -2.911 -9.589 -1.628 28 HG23 THR 4 3HG2 THR 4 -2.590 -8.778 -0.093 29 H ARG 5 H ARG 5 -0.852 -9.053 1.847 30 HA ARG 5 HA ARG 5 -1.517 -6.427 2.766 31 HB2 ARG 5 2HB ARG 5 -1.129 -9.004 4.349 32 HB3 ARG 5 3HB ARG 5 -1.750 -7.499 5.023 33 HG2 ARG 5 2HG ARG 5 -3.717 -7.618 3.569 34 HG3 ARG 5 3HG ARG 5 -3.088 -9.086 2.812 35 HD2 ARG 5 2HD ARG 5 -3.217 -10.258 4.981 36 HD3 ARG 5 3HD ARG 5 -3.829 -8.787 5.744 37 HE ARG 5 HE ARG 5 -5.496 -9.487 3.580 38 HH11 ARG 5 1HH1 ARG 5 -4.720 -10.596 6.838 39 HH12 ARG 5 2HH1 ARG 5 -6.276 -11.322 7.080 40 HH21 ARG 5 1HH2 ARG 5 -7.518 -10.412 3.932 41 HH22 ARG 5 2HH2 ARG 5 -7.862 -11.219 5.435 42 H LYS 6 H LYS 6 1.300 -8.557 3.118 43 HA LYS 6 HA LYS 6 2.865 -7.047 4.905 44 HB2 LYS 6 2HB LYS 6 3.621 -9.261 4.436 45 HB3 LYS 6 3HB LYS 6 3.565 -9.011 2.703 46 HG2 LYS 6 2HG LYS 6 5.535 -7.375 4.267 47 HG3 LYS 6 3HG LYS 6 5.873 -9.089 4.092 48 HD2 LYS 6 2HD LYS 6 6.613 -8.814 1.950 49 HD3 LYS 6 3HD LYS 6 5.162 -7.929 1.489 50 HE2 LYS 6 2HE LYS 6 7.143 -6.548 1.109 51 HE3 LYS 6 3HE LYS 6 6.157 -5.844 2.390 52 HZ1 LYS 6 1HZ LYS 6 8.514 -5.814 2.914 53 HZ2 LYS 6 2HZ LYS 6 8.583 -7.497 2.833 54 HZ3 LYS 6 3HZ LYS 6 7.657 -6.747 4.030 55 H LYS 7 H LYS 7 2.566 -6.905 1.366 56 HA LYS 7 HA LYS 7 4.456 -4.926 0.808 57 HB2 LYS 7 2HB LYS 7 3.268 -6.237 -0.957 58 HB3 LYS 7 3HB LYS 7 1.781 -5.359 -0.607 59 HG2 LYS 7 2HG LYS 7 2.958 -3.231 -1.252 60 HG3 LYS 7 3HG LYS 7 4.354 -4.198 -1.731 61 HD2 LYS 7 2HD LYS 7 1.568 -4.315 -2.952 62 HD3 LYS 7 3HD LYS 7 2.994 -3.568 -3.670 63 HE2 LYS 7 2HE LYS 7 2.539 -6.525 -3.176 64 HE3 LYS 7 3HE LYS 7 2.635 -5.690 -4.729 65 HZ1 LYS 7 1HZ LYS 7 4.870 -5.935 -2.794 66 HZ2 LYS 7 2HZ LYS 7 4.944 -5.209 -4.316 67 HZ3 LYS 7 3HZ LYS 7 4.675 -6.871 -4.184 68 H CYS 8 H CYS 8 0.988 -4.625 1.598 69 HA CYS 8 HA CYS 8 0.854 -1.807 1.502 70 HB2 CYS 8 2HB CYS 8 -1.145 -3.260 1.348 71 HB3 CYS 8 3HB CYS 8 -0.957 -3.703 3.043 72 H THR 9 H THR 9 1.669 -4.019 4.157 73 HA THR 9 HA THR 9 1.563 -2.165 6.292 74 HB THR 9 HB THR 9 3.379 -4.621 6.055 75 HG1 THR 9 HG1 THR 9 1.480 -5.589 6.000 76 HG21 THR 9 1HG2 THR 9 3.982 -3.130 7.940 77 HG22 THR 9 2HG2 THR 9 3.303 -4.650 8.524 78 HG23 THR 9 3HG2 THR 9 2.317 -3.185 8.521 79 H GLU 10 H GLU 10 4.175 -3.204 4.108 80 HA GLU 10 HA GLU 10 6.237 -1.585 5.152 81 HB2 GLU 10 2HB GLU 10 6.582 -3.599 3.662 82 HB3 GLU 10 3HB GLU 10 6.014 -2.634 2.301 83 HG2 GLU 10 2HG GLU 10 7.889 -1.037 2.698 84 HG3 GLU 10 3HG GLU 10 8.474 -2.076 3.996 85 H MET 11 H MET 11 3.810 -1.053 2.616 86 HA MET 11 HA MET 11 4.919 1.428 1.685 87 HB2 MET 11 2HB MET 11 2.174 0.199 1.249 88 HB3 MET 11 3HB MET 11 2.716 1.679 0.473 89 HG2 MET 11 2HG MET 11 3.883 -1.087 0.069 90 HG3 MET 11 3HG MET 11 2.850 -0.206 -1.053 91 HE1 MET 11 1HE MET 11 6.384 -1.227 -0.372 92 HE2 MET 11 2HE MET 11 6.421 0.067 0.828 93 HE3 MET 11 3HE MET 11 7.381 0.201 -0.645 94 H LYS 12 H LYS 12 2.488 0.556 4.135 95 HA LYS 12 HA LYS 12 1.416 3.168 4.528 96 HB2 LYS 12 2HB LYS 12 1.388 0.676 6.257 97 HB3 LYS 12 3HB LYS 12 0.726 2.194 6.851 98 HG2 LYS 12 2HG LYS 12 -0.860 2.226 4.941 99 HG3 LYS 12 3HG LYS 12 -0.232 0.662 4.415 100 HD2 LYS 12 2HD LYS 12 -1.646 1.255 7.047 101 HD3 LYS 12 3HD LYS 12 -2.332 0.394 5.666 102 HE2 LYS 12 2HE LYS 12 -0.683 -1.415 5.966 103 HE3 LYS 12 3HE LYS 12 0.043 -0.542 7.317 104 HZ1 LYS 12 1HZ LYS 12 -2.077 -0.716 8.478 105 HZ2 LYS 12 2HZ LYS 12 -1.405 -2.223 8.125 106 HZ3 LYS 12 3HZ LYS 12 -2.701 -1.645 7.211 107 H LYS 13 H LYS 13 4.016 1.326 6.067 108 HA LYS 13 HA LYS 13 4.525 3.260 8.121 109 HB2 LYS 13 2HB LYS 13 6.342 1.801 8.800 110 HB3 LYS 13 3HB LYS 13 4.944 0.816 8.392 111 HG2 LYS 13 2HG LYS 13 6.038 0.441 6.116 112 HG3 LYS 13 3HG LYS 13 7.488 1.185 6.789 113 HD2 LYS 13 2HD LYS 13 6.122 -1.351 7.774 114 HD3 LYS 13 3HD LYS 13 7.640 -1.259 6.879 115 HE2 LYS 13 2HE LYS 13 7.141 -0.224 9.691 116 HE3 LYS 13 3HE LYS 13 8.081 -1.647 9.239 117 HZ1 LYS 13 1HZ LYS 13 8.733 1.177 8.606 118 HZ2 LYS 13 2HZ LYS 13 9.585 -0.147 8.007 119 HZ3 LYS 13 3HZ LYS 13 9.568 0.162 9.668 120 H LYS 14 H LYS 14 5.843 2.616 4.935 121 HA LYS 14 HA LYS 14 8.127 4.376 5.164 122 HB2 LYS 14 2HB LYS 14 7.587 2.233 3.554 123 HB3 LYS 14 3HB LYS 14 7.104 3.514 2.459 124 HG2 LYS 14 2HG LYS 14 9.833 3.248 3.757 125 HG3 LYS 14 3HG LYS 14 9.441 2.720 2.119 126 HD2 LYS 14 2HD LYS 14 8.937 5.085 1.507 127 HD3 LYS 14 3HD LYS 14 9.353 5.592 3.147 128 HE2 LYS 14 2HE LYS 14 11.662 4.808 2.812 129 HE3 LYS 14 3HE LYS 14 11.250 4.257 1.186 130 HZ1 LYS 14 1HZ LYS 14 10.709 6.568 0.631 131 HZ2 LYS 14 2HZ LYS 14 12.326 6.375 1.085 132 HZ3 LYS 14 3HZ LYS 14 11.220 7.047 2.168 133 H PHE 15 H PHE 15 4.912 4.442 3.754 134 HA PHE 15 HA PHE 15 5.146 7.292 3.014 135 HB2 PHE 15 2HB PHE 15 3.212 5.220 1.908 136 HB3 PHE 15 3HB PHE 15 3.429 6.863 1.320 137 HD1 PHE 15 HD1 PHE 15 4.032 3.651 0.346 138 HD2 PHE 15 HD2 PHE 15 6.234 7.267 0.978 139 HE1 PHE 15 HE1 PHE 15 5.785 2.868 -1.186 140 HE2 PHE 15 HE2 PHE 15 7.971 6.466 -0.560 141 HZ PHE 15 HZ PHE 15 7.750 4.271 -1.637 142 H LYS 16 H LYS 16 4.868 7.404 5.354 143 HA LYS 16 HA LYS 16 2.669 6.689 6.879 144 HB2 LYS 16 2HB LYS 16 3.529 8.469 8.462 145 HB3 LYS 16 3HB LYS 16 4.749 7.327 7.907 146 HG2 LYS 16 2HG LYS 16 5.524 9.002 6.242 147 HG3 LYS 16 3HG LYS 16 4.347 10.157 6.879 148 HD2 LYS 16 2HD LYS 16 5.479 10.123 9.066 149 HD3 LYS 16 3HD LYS 16 6.619 8.907 8.477 150 HE2 LYS 16 2HE LYS 16 7.442 10.538 6.787 151 HE3 LYS 16 3HE LYS 16 6.339 11.750 7.441 152 HZ1 LYS 16 1HZ LYS 16 8.558 12.027 8.307 153 HZ2 LYS 16 2HZ LYS 16 8.561 10.450 8.914 154 HZ3 LYS 16 3HZ LYS 16 7.499 11.597 9.552 155 H ASN 17 H ASN 17 3.045 9.517 4.798 156 HA ASN 17 HA ASN 17 0.545 10.742 5.809 157 HB2 ASN 17 2HB ASN 17 2.772 11.885 4.079 158 HB3 ASN 17 3HB ASN 17 1.295 12.760 4.473 159 HD21 ASN 17 1HD2 ASN 17 4.075 13.378 5.102 160 HD22 ASN 17 2HD2 ASN 17 4.144 13.568 6.814 161 H CYS 18 H CYS 18 1.588 8.745 3.318 162 HA CYS 18 HA CYS 18 -0.179 9.774 1.229 163 HB2 CYS 18 2HB CYS 18 1.616 7.322 1.218 164 HB3 CYS 18 3HB CYS 18 0.830 8.047 -0.183 165 H GLU 19 H GLU 19 -1.972 8.551 0.329 166 HA GLU 19 HA GLU 19 -3.375 6.913 2.283 167 HB2 GLU 19 2HB GLU 19 -4.540 8.647 0.826 168 HB3 GLU 19 3HB GLU 19 -4.251 7.598 -0.548 169 HG2 GLU 19 2HG GLU 19 -5.569 5.800 0.617 170 HG3 GLU 19 3HG GLU 19 -5.978 6.981 1.864 171 H VAL 20 H VAL 20 -2.035 5.126 2.385 172 HA VAL 20 HA VAL 20 -1.480 3.463 0.056 173 HB VAL 20 HB VAL 20 -0.888 3.042 3.021 174 HG11 VAL 20 1HG1 VAL 20 0.121 1.470 0.610 175 HG12 VAL 20 2HG1 VAL 20 -1.005 0.876 1.832 176 HG13 VAL 20 3HG1 VAL 20 0.659 1.248 2.279 177 HG21 VAL 20 1HG2 VAL 20 0.956 3.950 0.778 178 HG22 VAL 20 2HG2 VAL 20 1.409 3.704 2.464 179 HG23 VAL 20 3HG2 VAL 20 0.287 4.993 2.037 180 H ARG 21 H ARG 21 -3.097 2.204 -0.687 181 HA ARG 21 HA ARG 21 -5.283 1.287 1.063 182 HB2 ARG 21 2HB ARG 21 -5.046 1.211 -1.976 183 HB3 ARG 21 3HB ARG 21 -6.485 0.809 -1.038 184 HG2 ARG 21 2HG ARG 21 -6.630 3.152 -0.265 185 HG3 ARG 21 3HG ARG 21 -5.189 3.553 -1.205 186 HD2 ARG 21 2HD ARG 21 -6.352 2.986 -3.280 187 HD3 ARG 21 3HD ARG 21 -7.779 2.473 -2.368 188 HE ARG 21 HE ARG 21 -6.841 5.256 -2.125 189 HH11 ARG 21 1HH1 ARG 21 -9.306 3.029 -3.287 190 HH12 ARG 21 2HH1 ARG 21 -10.459 4.287 -3.588 191 HH21 ARG 21 1HH2 ARG 21 -8.366 6.873 -2.548 192 HH22 ARG 21 2HH2 ARG 21 -9.931 6.459 -3.172 193 H CYS 22 H CYS 22 -4.771 -0.654 2.032 194 HA CYS 22 HA CYS 22 -3.228 -2.740 0.861 195 HB2 CYS 22 2HB CYS 22 -5.344 -3.006 3.043 196 HB3 CYS 22 3HB CYS 22 -4.047 -4.149 2.702 197 H ASP 23 H ASP 23 -3.833 -4.470 -0.395 198 HA ASP 23 HA ASP 23 -6.644 -4.983 -1.004 199 HB2 ASP 23 2HB ASP 23 -6.190 -3.309 -2.693 200 HB3 ASP 23 3HB ASP 23 -4.644 -4.046 -3.097 201 H GLU 24 H GLU 24 -7.000 -6.987 -1.857 202 HA GLU 24 HA GLU 24 -4.808 -8.922 -2.071 203 HB2 GLU 24 2HB GLU 24 -6.006 -10.426 -0.444 204 HB3 GLU 24 3HB GLU 24 -5.350 -8.963 0.284 205 HG2 GLU 24 2HG GLU 24 -7.628 -7.929 0.138 206 HG3 GLU 24 3HG GLU 24 -8.263 -9.483 -0.409 207 H SER 25 H SER 25 -7.681 -7.650 -3.218 208 HA SER 25 HA SER 25 -8.828 -10.021 -4.387 209 HB2 SER 25 2HB SER 25 -9.257 -7.095 -5.126 210 HB3 SER 25 3HB SER 25 -10.303 -8.450 -5.564 211 HG SER 25 HG SER 25 -10.956 -7.151 -3.695 212 H ASN 26 H ASN 26 -6.840 -7.295 -5.480 213 HA ASN 26 HA ASN 26 -6.165 -8.655 -8.026 214 HB2 ASN 26 2HB ASN 26 -5.538 -5.763 -7.304 215 HB3 ASN 26 3HB ASN 26 -5.550 -6.499 -8.908 216 HD21 ASN 26 1HD2 ASN 26 -7.519 -5.337 -6.256 217 HD22 ASN 26 2HD2 ASN 26 -8.984 -5.184 -7.162 218 H HIS 27 H HIS 27 -4.957 -7.883 -4.952 219 HA HIS 27 HA HIS 27 -3.016 -8.065 -3.834 220 HB2 HIS 27 2HB HIS 27 -2.080 -9.550 -6.330 221 HB3 HIS 27 3HB HIS 27 -1.035 -9.301 -4.934 222 HD1 HIS 27 HD1 HIS 27 -0.919 -11.370 -3.600 223 HD2 HIS 27 HD2 HIS 27 -4.711 -10.817 -5.227 224 HE1 HIS 27 HE1 HIS 27 -2.292 -13.315 -2.797 225 HE2 HIS 27 HE2 HIS 27 -4.534 -13.044 -3.922 226 H CYS 28 H CYS 28 -3.695 -5.758 -5.483 227 HA CYS 28 HA CYS 28 -1.031 -4.577 -6.025 228 HB2 CYS 28 2HB CYS 28 -3.668 -3.815 -7.338 229 HB3 CYS 28 3HB CYS 28 -2.067 -3.203 -7.752 230 H VAL 29 H VAL 29 -0.530 -3.177 -4.442 231 HA VAL 29 HA VAL 29 -2.578 -1.924 -2.777 232 HB VAL 29 HB VAL 29 0.471 -2.020 -2.587 233 HG11 VAL 29 1HG1 VAL 29 0.242 -1.073 -0.307 234 HG12 VAL 29 2HG1 VAL 29 -1.491 -0.853 -0.569 235 HG13 VAL 29 3HG1 VAL 29 -0.330 0.060 -1.535 236 HG21 VAL 29 1HG2 VAL 29 -0.626 -4.197 -2.177 237 HG22 VAL 29 2HG2 VAL 29 -1.670 -3.462 -0.958 238 HG23 VAL 29 3HG2 VAL 29 0.070 -3.565 -0.682 239 H GLU 30 H GLU 30 -3.382 -0.039 -3.396 240 HA GLU 30 HA GLU 30 -1.971 1.682 -5.311 241 HB2 GLU 30 2HB GLU 30 -4.230 1.084 -5.933 242 HB3 GLU 30 3HB GLU 30 -4.865 1.594 -4.373 243 HG2 GLU 30 2HG GLU 30 -4.419 3.928 -4.895 244 HG3 GLU 30 3HG GLU 30 -3.602 3.469 -6.391 245 H VAL 31 H VAL 31 -0.724 3.191 -4.452 246 HA VAL 31 HA VAL 31 -1.469 4.514 -1.927 247 HB VAL 31 HB VAL 31 1.174 4.688 -3.431 248 HG11 VAL 31 1HG1 VAL 31 2.072 5.498 -1.263 249 HG12 VAL 31 2HG1 VAL 31 0.448 5.439 -0.573 250 HG13 VAL 31 3HG1 VAL 31 0.807 6.556 -1.891 251 HG21 VAL 31 1HG2 VAL 31 2.093 3.048 -1.825 252 HG22 VAL 31 2HG2 VAL 31 0.798 2.337 -2.787 253 HG23 VAL 31 3HG2 VAL 31 0.489 2.822 -1.117 254 H ARG 32 H ARG 32 -2.783 6.173 -2.359 255 HA ARG 32 HA ARG 32 -2.140 8.130 -4.479 256 HB2 ARG 32 2HB ARG 32 -4.469 7.245 -4.445 257 HB3 ARG 32 3HB ARG 32 -4.676 7.800 -2.791 258 HG2 ARG 32 2HG ARG 32 -4.421 10.132 -3.520 259 HG3 ARG 32 3HG ARG 32 -4.139 9.596 -5.169 260 HD2 ARG 32 2HD ARG 32 -6.426 10.412 -4.938 261 HD3 ARG 32 3HD ARG 32 -6.440 8.673 -5.247 262 HE ARG 32 HE ARG 32 -6.480 8.945 -2.498 263 HH11 ARG 32 1HH1 ARG 32 -8.601 9.964 -5.111 264 HH12 ARG 32 2HH1 ARG 32 -10.024 9.904 -4.125 265 HH21 ARG 32 1HH2 ARG 32 -8.375 8.826 -1.250 266 HH22 ARG 32 2HH2 ARG 32 -9.902 9.266 -1.960 267 H CYS 33 H CYS 33 -0.424 9.229 -3.446 268 HA CYS 33 HA CYS 33 -0.443 9.760 -0.659 269 HB2 CYS 33 2HB CYS 33 1.630 9.518 -2.135 270 HB3 CYS 33 3HB CYS 33 1.372 11.195 -2.606 271 H SER 34 H SER 34 -0.824 11.944 -3.436 272 HA SER 34 HA SER 34 -2.952 13.461 -2.421 273 HB2 SER 34 2HB SER 34 -1.246 14.382 -0.821 274 HB3 SER 34 3HB SER 34 -0.244 14.873 -2.185 275 HG SER 34 HG SER 34 -1.461 16.615 -1.472 276 H ASP 35 H ASP 35 0.105 13.953 -4.113 277 HA ASP 35 HA ASP 35 -1.294 14.485 -6.673 278 HB2 ASP 35 2HB ASP 35 0.676 15.918 -7.284 279 HB3 ASP 35 3HB ASP 35 -0.225 16.547 -5.911 280 H THR 36 H THR 36 1.315 12.910 -4.947 281 HA THR 36 HA THR 36 2.428 11.564 -7.279 282 HB THR 36 HB THR 36 3.082 11.102 -4.336 283 HG1 THR 36 HG1 THR 36 3.472 13.317 -5.788 284 HG21 THR 36 1HG2 THR 36 3.979 9.389 -5.892 285 HG22 THR 36 2HG2 THR 36 5.275 10.346 -5.171 286 HG23 THR 36 3HG2 THR 36 4.763 10.656 -6.833 287 H LYS 37 H LYS 37 1.251 9.896 -8.069 288 HA LYS 37 HA LYS 37 -0.237 8.126 -6.217 289 HB2 LYS 37 2HB LYS 37 -1.661 9.792 -7.533 290 HB3 LYS 37 3HB LYS 37 -1.150 8.976 -9.002 291 HG2 LYS 37 2HG LYS 37 -2.580 7.539 -6.747 292 HG3 LYS 37 3HG LYS 37 -3.450 8.361 -8.043 293 HD2 LYS 37 2HD LYS 37 -2.504 6.858 -9.715 294 HD3 LYS 37 3HD LYS 37 -1.423 6.135 -8.524 295 HE2 LYS 37 2HE LYS 37 -3.407 5.304 -7.287 296 HE3 LYS 37 3HE LYS 37 -4.433 5.938 -8.576 297 HZ1 LYS 37 1HZ LYS 37 -3.286 4.465 -10.126 298 HZ2 LYS 37 2HZ LYS 37 -4.025 3.600 -8.876 299 HZ3 LYS 37 3HZ LYS 37 -2.350 3.845 -8.860 300 H TYR 38 H TYR 38 0.729 6.222 -6.244 301 HA TYR 38 HA TYR 38 1.529 4.918 -8.759 302 HB2 TYR 38 2HB TYR 38 3.577 3.988 -7.475 303 HB3 TYR 38 3HB TYR 38 3.666 5.660 -7.993 304 HD1 TYR 38 HD1 TYR 38 3.591 3.440 -5.068 305 HD2 TYR 38 HD2 TYR 38 3.426 7.510 -6.343 306 HE1 TYR 38 HE1 TYR 38 4.071 4.171 -2.784 307 HE2 TYR 38 HE2 TYR 38 3.919 8.248 -4.071 308 HH TYR 38 HH TYR 38 3.727 7.428 -1.799 309 H THR 39 H THR 39 1.441 2.614 -8.648 310 HA THR 39 HA THR 39 0.100 1.442 -6.285 311 HB THR 39 HB THR 39 -0.652 0.962 -9.204 312 HG1 THR 39 HG1 THR 39 -2.764 1.702 -7.946 313 HG21 THR 39 1HG2 THR 39 -1.793 -0.304 -6.677 314 HG22 THR 39 2HG2 THR 39 -0.854 -1.137 -7.916 315 HG23 THR 39 3HG2 THR 39 -2.455 -0.503 -8.301 316 H LEU 40 H LEU 40 1.702 0.205 -5.513 317 HA LEU 40 HA LEU 40 3.498 -1.307 -7.239 318 HB2 LEU 40 2HB LEU 40 3.298 -0.871 -4.246 319 HB3 LEU 40 3HB LEU 40 4.243 -2.223 -4.858 320 HG LEU 40 HG LEU 40 5.616 -0.586 -6.191 321 HD11 LEU 40 1HD1 LEU 40 5.542 1.798 -5.640 322 HD12 LEU 40 2HD1 LEU 40 4.121 1.525 -4.628 323 HD13 LEU 40 3HD1 LEU 40 4.033 1.245 -6.368 324 HD21 LEU 40 1HD2 LEU 40 6.485 -1.417 -4.073 325 HD22 LEU 40 2HD2 LEU 40 5.626 -0.159 -3.187 326 HD23 LEU 40 3HD2 LEU 40 6.938 0.273 -4.286 327 H CYS 41 H CYS 41 3.161 -3.347 -7.862 328 HA CYS 41 HA CYS 41 1.329 -5.118 -6.422 329 HB2 CYS 41 2HB CYS 41 -0.031 -3.822 -8.133 330 HB3 CYS 41 3HB CYS 41 0.943 -4.561 -9.400 Start of MODEL 6 1 H1 SER 1 1H SER 1 -0.588 -16.644 -0.163 2 H2 SER 1 2H SER 1 0.502 -15.731 0.748 3 H3 SER 1 3H SER 1 -0.213 -15.066 -0.628 4 HA SER 1 HA SER 1 -2.370 -15.173 0.375 5 HB2 SER 1 2HB SER 1 -1.873 -17.143 1.840 6 HB3 SER 1 3HB SER 1 -0.876 -16.110 2.866 7 HG SER 1 HG SER 1 -3.216 -16.516 3.424 8 H GLN 2 H GLN 2 0.547 -14.312 2.297 9 HA GLN 2 HA GLN 2 -0.594 -11.639 2.859 10 HB2 GLN 2 2HB GLN 2 0.022 -13.246 4.755 11 HB3 GLN 2 3HB GLN 2 1.704 -13.077 4.274 12 HG2 GLN 2 2HG GLN 2 1.626 -10.677 4.823 13 HG3 GLN 2 3HG GLN 2 -0.076 -10.821 5.254 14 HE21 GLN 2 1HE2 GLN 2 3.198 -11.605 6.222 15 HE22 GLN 2 2HE2 GLN 2 2.822 -12.027 7.852 16 H GLU 3 H GLU 3 0.792 -12.460 0.315 17 HA GLU 3 HA GLU 3 3.357 -11.337 0.018 18 HB2 GLU 3 2HB GLU 3 2.404 -12.736 -1.733 19 HB3 GLU 3 3HB GLU 3 1.034 -11.648 -1.939 20 HG2 GLU 3 2HG GLU 3 2.839 -9.894 -2.667 21 HG3 GLU 3 3HG GLU 3 3.898 -11.288 -2.854 22 H THR 4 H THR 4 0.314 -9.952 -1.021 23 HA THR 4 HA THR 4 1.318 -7.285 -1.299 24 HB THR 4 HB THR 4 -0.183 -8.067 -2.965 25 HG1 THR 4 HG1 THR 4 -0.896 -6.098 -2.968 26 HG21 THR 4 1HG2 THR 4 -2.243 -8.613 -0.800 27 HG22 THR 4 2HG2 THR 4 -1.336 -9.835 -1.697 28 HG23 THR 4 3HG2 THR 4 -2.486 -8.799 -2.543 29 H ARG 5 H ARG 5 -0.473 -9.037 1.138 30 HA ARG 5 HA ARG 5 -1.475 -6.818 2.620 31 HB2 ARG 5 2HB ARG 5 -0.762 -9.601 3.636 32 HB3 ARG 5 3HB ARG 5 -1.728 -8.404 4.495 33 HG2 ARG 5 2HG ARG 5 -3.478 -8.569 2.739 34 HG3 ARG 5 3HG ARG 5 -2.511 -9.797 1.908 35 HD2 ARG 5 2HD ARG 5 -2.598 -11.177 4.017 36 HD3 ARG 5 3HD ARG 5 -3.726 -9.996 4.686 37 HE ARG 5 HE ARG 5 -5.122 -10.638 2.597 38 HH11 ARG 5 1HH1 ARG 5 -3.132 -12.841 4.489 39 HH12 ARG 5 2HH1 ARG 5 -4.106 -14.226 4.127 40 HH21 ARG 5 1HH2 ARG 5 -6.425 -12.465 2.180 41 HH22 ARG 5 2HH2 ARG 5 -5.973 -14.008 2.819 42 H LYS 6 H LYS 6 1.576 -8.691 2.828 43 HA LYS 6 HA LYS 6 2.834 -7.233 4.902 44 HB2 LYS 6 2HB LYS 6 3.906 -9.278 4.338 45 HB3 LYS 6 3HB LYS 6 3.862 -8.949 2.615 46 HG2 LYS 6 2HG LYS 6 5.585 -7.196 4.355 47 HG3 LYS 6 3HG LYS 6 6.148 -8.832 4.017 48 HD2 LYS 6 2HD LYS 6 6.246 -8.402 1.647 49 HD3 LYS 6 3HD LYS 6 5.332 -6.908 1.802 50 HE2 LYS 6 2HE LYS 6 7.676 -6.428 1.366 51 HE3 LYS 6 3HE LYS 6 7.240 -5.871 2.981 52 HZ1 LYS 6 1HZ LYS 6 8.314 -7.787 3.929 53 HZ2 LYS 6 2HZ LYS 6 9.397 -7.020 2.885 54 HZ3 LYS 6 3HZ LYS 6 8.623 -8.436 2.400 55 H LYS 7 H LYS 7 2.612 -6.802 1.423 56 HA LYS 7 HA LYS 7 4.466 -4.678 1.152 57 HB2 LYS 7 2HB LYS 7 3.523 -6.351 -0.607 58 HB3 LYS 7 3HB LYS 7 2.169 -5.237 -0.757 59 HG2 LYS 7 2HG LYS 7 3.610 -3.487 -1.574 60 HG3 LYS 7 3HG LYS 7 5.057 -4.427 -1.181 61 HD2 LYS 7 2HD LYS 7 4.069 -6.215 -2.825 62 HD3 LYS 7 3HD LYS 7 3.041 -4.901 -3.395 63 HE2 LYS 7 2HE LYS 7 5.023 -3.612 -4.033 64 HE3 LYS 7 3HE LYS 7 6.074 -4.872 -3.384 65 HZ1 LYS 7 1HZ LYS 7 5.844 -5.024 -5.796 66 HZ2 LYS 7 2HZ LYS 7 4.176 -5.235 -5.647 67 HZ3 LYS 7 3HZ LYS 7 5.232 -6.400 -5.037 68 H CYS 8 H CYS 8 1.033 -4.835 1.834 69 HA CYS 8 HA CYS 8 0.305 -2.126 1.728 70 HB2 CYS 8 2HB CYS 8 -1.527 -3.555 2.012 71 HB3 CYS 8 3HB CYS 8 -0.706 -4.550 3.204 72 H THR 9 H THR 9 1.555 -4.110 4.428 73 HA THR 9 HA THR 9 1.610 -2.144 6.432 74 HB THR 9 HB THR 9 3.402 -4.606 6.133 75 HG1 THR 9 HG1 THR 9 0.923 -4.737 6.237 76 HG21 THR 9 1HG2 THR 9 2.679 -3.027 8.632 77 HG22 THR 9 2HG2 THR 9 4.270 -3.065 7.862 78 HG23 THR 9 3HG2 THR 9 3.601 -4.525 8.598 79 H GLU 10 H GLU 10 4.071 -3.182 4.093 80 HA GLU 10 HA GLU 10 6.248 -1.650 4.984 81 HB2 GLU 10 2HB GLU 10 6.576 -3.547 3.471 82 HB3 GLU 10 3HB GLU 10 5.591 -2.781 2.229 83 HG2 GLU 10 2HG GLU 10 7.994 -2.655 1.694 84 HG3 GLU 10 3HG GLU 10 7.278 -1.054 1.883 85 H MET 11 H MET 11 3.849 -1.035 2.399 86 HA MET 11 HA MET 11 4.829 1.516 1.680 87 HB2 MET 11 2HB MET 11 2.081 0.293 1.264 88 HB3 MET 11 3HB MET 11 2.586 1.823 0.566 89 HG2 MET 11 2HG MET 11 3.778 -0.891 -0.051 90 HG3 MET 11 3HG MET 11 2.669 0.014 -1.069 91 HE1 MET 11 1HE MET 11 6.264 0.243 0.658 92 HE2 MET 11 2HE MET 11 7.196 0.519 -0.811 93 HE3 MET 11 3HE MET 11 6.252 -0.961 -0.635 94 H LYS 12 H LYS 12 2.595 0.502 4.253 95 HA LYS 12 HA LYS 12 1.531 3.121 4.753 96 HB2 LYS 12 2HB LYS 12 1.470 0.557 6.379 97 HB3 LYS 12 3HB LYS 12 0.851 2.071 7.034 98 HG2 LYS 12 2HG LYS 12 -0.639 2.193 4.955 99 HG3 LYS 12 3HG LYS 12 -0.181 0.517 4.652 100 HD2 LYS 12 2HD LYS 12 -1.164 -0.194 6.762 101 HD3 LYS 12 3HD LYS 12 -1.451 1.480 7.247 102 HE2 LYS 12 2HE LYS 12 -3.076 1.748 5.436 103 HE3 LYS 12 3HE LYS 12 -2.755 0.108 4.880 104 HZ1 LYS 12 1HZ LYS 12 -3.612 -0.740 6.961 105 HZ2 LYS 12 2HZ LYS 12 -4.767 0.226 6.199 106 HZ3 LYS 12 3HZ LYS 12 -3.904 0.828 7.520 107 H LYS 13 H LYS 13 4.050 1.149 6.388 108 HA LYS 13 HA LYS 13 4.628 3.141 8.346 109 HB2 LYS 13 2HB LYS 13 6.517 1.734 9.012 110 HB3 LYS 13 3HB LYS 13 5.059 0.777 8.798 111 HG2 LYS 13 2HG LYS 13 5.908 0.016 6.586 112 HG3 LYS 13 3HG LYS 13 7.392 0.933 6.864 113 HD2 LYS 13 2HD LYS 13 7.872 -0.440 8.863 114 HD3 LYS 13 3HD LYS 13 6.383 -1.354 8.607 115 HE2 LYS 13 2HE LYS 13 8.270 -2.650 7.797 116 HE3 LYS 13 3HE LYS 13 7.295 -2.138 6.421 117 HZ1 LYS 13 1HZ LYS 13 9.790 -0.793 7.314 118 HZ2 LYS 13 2HZ LYS 13 8.884 -0.415 5.938 119 HZ3 LYS 13 3HZ LYS 13 9.684 -1.896 6.040 120 H LYS 14 H LYS 14 5.700 2.665 5.101 121 HA LYS 14 HA LYS 14 8.012 4.441 5.293 122 HB2 LYS 14 2HB LYS 14 7.608 2.258 3.758 123 HB3 LYS 14 3HB LYS 14 6.916 3.430 2.651 124 HG2 LYS 14 2HG LYS 14 9.734 3.511 3.771 125 HG3 LYS 14 3HG LYS 14 9.295 2.896 2.179 126 HD2 LYS 14 2HD LYS 14 8.495 5.157 1.545 127 HD3 LYS 14 3HD LYS 14 8.960 5.766 3.136 128 HE2 LYS 14 2HE LYS 14 10.671 6.331 1.484 129 HE3 LYS 14 3HE LYS 14 11.322 5.180 2.650 130 HZ1 LYS 14 1HZ LYS 14 10.324 4.521 -0.067 131 HZ2 LYS 14 2HZ LYS 14 10.945 3.409 1.039 132 HZ3 LYS 14 3HZ LYS 14 11.944 4.604 0.395 133 H PHE 15 H PHE 15 4.870 4.360 3.612 134 HA PHE 15 HA PHE 15 5.025 7.260 3.012 135 HB2 PHE 15 2HB PHE 15 3.262 5.156 1.679 136 HB3 PHE 15 3HB PHE 15 3.451 6.823 1.174 137 HD1 PHE 15 HD1 PHE 15 4.399 3.562 0.398 138 HD2 PHE 15 HD2 PHE 15 6.084 7.490 0.728 139 HE1 PHE 15 HE1 PHE 15 6.236 2.900 -1.088 140 HE2 PHE 15 HE2 PHE 15 7.921 6.811 -0.765 141 HZ PHE 15 HZ PHE 15 8.002 4.520 -1.670 142 H LYS 16 H LYS 16 4.406 6.908 5.516 143 HA LYS 16 HA LYS 16 1.720 6.375 6.238 144 HB2 LYS 16 2HB LYS 16 2.332 7.441 8.414 145 HB3 LYS 16 3HB LYS 16 3.494 6.235 7.878 146 HG2 LYS 16 2HG LYS 16 4.978 8.076 7.054 147 HG3 LYS 16 3HG LYS 16 3.833 9.251 7.712 148 HD2 LYS 16 2HD LYS 16 5.694 8.937 9.271 149 HD3 LYS 16 3HD LYS 16 4.206 8.321 9.990 150 HE2 LYS 16 2HE LYS 16 4.895 6.013 9.424 151 HE3 LYS 16 3HE LYS 16 6.367 6.632 8.677 152 HZ1 LYS 16 1HZ LYS 16 6.834 5.854 10.885 153 HZ2 LYS 16 2HZ LYS 16 5.631 6.831 11.549 154 HZ3 LYS 16 3HZ LYS 16 7.003 7.534 10.862 155 H ASN 17 H ASN 17 3.254 9.214 4.968 156 HA ASN 17 HA ASN 17 1.146 11.083 5.667 157 HB2 ASN 17 2HB ASN 17 3.502 11.370 3.750 158 HB3 ASN 17 3HB ASN 17 2.474 12.688 4.305 159 HD21 ASN 17 1HD2 ASN 17 2.321 11.923 7.089 160 HD22 ASN 17 2HD2 ASN 17 3.897 12.117 7.767 161 H CYS 18 H CYS 18 1.873 8.913 3.085 162 HA CYS 18 HA CYS 18 -0.050 10.069 1.198 163 HB2 CYS 18 2HB CYS 18 1.741 7.619 0.907 164 HB3 CYS 18 3HB CYS 18 0.850 8.421 -0.377 165 H GLU 19 H GLU 19 -1.854 8.782 0.383 166 HA GLU 19 HA GLU 19 -3.155 7.195 2.446 167 HB2 GLU 19 2HB GLU 19 -4.382 8.960 1.131 168 HB3 GLU 19 3HB GLU 19 -4.177 7.987 -0.311 169 HG2 GLU 19 2HG GLU 19 -5.599 6.231 0.581 170 HG3 GLU 19 3HG GLU 19 -5.709 7.052 2.142 171 H VAL 20 H VAL 20 -1.976 5.316 2.492 172 HA VAL 20 HA VAL 20 -1.474 3.685 0.146 173 HB VAL 20 HB VAL 20 -1.009 3.191 3.125 174 HG11 VAL 20 1HG1 VAL 20 0.442 1.299 2.429 175 HG12 VAL 20 2HG1 VAL 20 -0.059 1.541 0.754 176 HG13 VAL 20 3HG1 VAL 20 -1.240 1.032 1.962 177 HG21 VAL 20 1HG2 VAL 20 0.311 5.046 2.172 178 HG22 VAL 20 2HG2 VAL 20 0.946 3.952 0.938 179 HG23 VAL 20 3HG2 VAL 20 1.331 3.684 2.638 180 H ARG 21 H ARG 21 -3.164 2.613 -0.690 181 HA ARG 21 HA ARG 21 -5.377 1.632 0.983 182 HB2 ARG 21 2HB ARG 21 -5.228 2.124 -2.028 183 HB3 ARG 21 3HB ARG 21 -6.631 1.446 -1.196 184 HG2 ARG 21 2HG ARG 21 -6.824 3.518 0.145 185 HG3 ARG 21 3HG ARG 21 -5.451 4.207 -0.726 186 HD2 ARG 21 2HD ARG 21 -6.697 4.266 -2.787 187 HD3 ARG 21 3HD ARG 21 -8.009 3.302 -2.096 188 HE ARG 21 HE ARG 21 -7.354 6.096 -1.400 189 HH11 ARG 21 1HH1 ARG 21 -9.712 3.480 -1.476 190 HH12 ARG 21 2HH1 ARG 21 -11.019 4.481 -0.926 191 HH21 ARG 21 1HH2 ARG 21 -9.050 7.377 -0.611 192 HH22 ARG 21 2HH2 ARG 21 -10.639 6.697 -0.436 193 H CYS 22 H CYS 22 -4.959 -0.321 1.663 194 HA CYS 22 HA CYS 22 -3.274 -2.214 0.328 195 HB2 CYS 22 2HB CYS 22 -5.033 -2.576 2.779 196 HB3 CYS 22 3HB CYS 22 -3.620 -3.531 2.328 197 H ASP 23 H ASP 23 -3.956 -4.454 -0.056 198 HA ASP 23 HA ASP 23 -6.665 -5.173 -0.605 199 HB2 ASP 23 2HB ASP 23 -6.568 -3.678 -2.497 200 HB3 ASP 23 3HB ASP 23 -4.924 -4.159 -2.892 201 H GLU 24 H GLU 24 -6.772 -7.331 -1.546 202 HA GLU 24 HA GLU 24 -4.255 -8.864 -1.672 203 HB2 GLU 24 2HB GLU 24 -5.325 -10.726 -0.445 204 HB3 GLU 24 3HB GLU 24 -5.199 -9.271 0.540 205 HG2 GLU 24 2HG GLU 24 -7.581 -8.767 0.116 206 HG3 GLU 24 3HG GLU 24 -7.714 -10.221 -0.875 207 H SER 25 H SER 25 -7.377 -8.171 -2.898 208 HA SER 25 HA SER 25 -7.941 -10.687 -4.148 209 HB2 SER 25 2HB SER 25 -9.244 -7.975 -4.644 210 HB3 SER 25 3HB SER 25 -9.935 -9.572 -4.985 211 HG SER 25 HG SER 25 -10.677 -8.654 -3.011 212 H ASN 26 H ASN 26 -6.964 -7.490 -5.339 213 HA ASN 26 HA ASN 26 -6.401 -8.446 -8.058 214 HB2 ASN 26 2HB ASN 26 -5.966 -5.646 -6.892 215 HB3 ASN 26 3HB ASN 26 -5.994 -6.094 -8.596 216 HD21 ASN 26 1HD2 ASN 26 -7.943 -5.545 -5.743 217 HD22 ASN 26 2HD2 ASN 26 -9.456 -5.441 -6.570 218 H HIS 27 H HIS 27 -4.846 -8.093 -5.060 219 HA HIS 27 HA HIS 27 -2.780 -8.387 -4.250 220 HB2 HIS 27 2HB HIS 27 -2.013 -9.236 -7.081 221 HB3 HIS 27 3HB HIS 27 -0.930 -9.334 -5.699 222 HD1 HIS 27 HD1 HIS 27 -0.929 -11.494 -4.501 223 HD2 HIS 27 HD2 HIS 27 -4.453 -10.923 -6.640 224 HE1 HIS 27 HE1 HIS 27 -2.244 -13.615 -4.238 225 HE2 HIS 27 HE2 HIS 27 -4.413 -13.187 -5.425 226 H CYS 28 H CYS 28 -3.701 -5.815 -5.213 227 HA CYS 28 HA CYS 28 -1.184 -4.452 -5.957 228 HB2 CYS 28 2HB CYS 28 -3.955 -4.121 -7.146 229 HB3 CYS 28 3HB CYS 28 -2.680 -2.931 -7.371 230 H VAL 29 H VAL 29 -0.626 -3.093 -4.400 231 HA VAL 29 HA VAL 29 -2.583 -1.779 -2.644 232 HB VAL 29 HB VAL 29 0.485 -1.785 -2.604 233 HG11 VAL 29 1HG1 VAL 29 -1.420 -0.613 -0.536 234 HG12 VAL 29 2HG1 VAL 29 -0.354 0.307 -1.603 235 HG13 VAL 29 3HG1 VAL 29 0.335 -0.742 -0.364 236 HG21 VAL 29 1HG2 VAL 29 -0.485 -3.980 -2.036 237 HG22 VAL 29 2HG2 VAL 29 -1.491 -3.226 -0.795 238 HG23 VAL 29 3HG2 VAL 29 0.266 -3.240 -0.618 239 H GLU 30 H GLU 30 -3.461 0.082 -3.413 240 HA GLU 30 HA GLU 30 -2.043 1.803 -5.320 241 HB2 GLU 30 2HB GLU 30 -4.420 1.290 -5.776 242 HB3 GLU 30 3HB GLU 30 -4.884 1.960 -4.215 243 HG2 GLU 30 2HG GLU 30 -3.887 4.179 -5.020 244 HG3 GLU 30 3HG GLU 30 -3.787 3.451 -6.614 245 H VAL 31 H VAL 31 -0.669 3.252 -4.383 246 HA VAL 31 HA VAL 31 -1.372 4.532 -1.824 247 HB VAL 31 HB VAL 31 1.257 4.687 -3.356 248 HG11 VAL 31 1HG1 VAL 31 0.572 5.407 -0.486 249 HG12 VAL 31 2HG1 VAL 31 0.932 6.540 -1.795 250 HG13 VAL 31 3HG1 VAL 31 2.190 5.459 -1.196 251 HG21 VAL 31 1HG2 VAL 31 0.807 2.349 -2.735 252 HG22 VAL 31 2HG2 VAL 31 0.545 2.832 -1.055 253 HG23 VAL 31 3HG2 VAL 31 2.145 3.006 -1.785 254 H ARG 32 H ARG 32 -2.606 6.242 -2.159 255 HA ARG 32 HA ARG 32 -2.250 8.111 -4.413 256 HB2 ARG 32 2HB ARG 32 -4.488 7.083 -4.063 257 HB3 ARG 32 3HB ARG 32 -4.523 7.693 -2.414 258 HG2 ARG 32 2HG ARG 32 -4.508 10.032 -3.336 259 HG3 ARG 32 3HG ARG 32 -4.599 9.345 -4.950 260 HD2 ARG 32 2HD ARG 32 -6.671 9.214 -2.754 261 HD3 ARG 32 3HD ARG 32 -6.833 9.954 -4.348 262 HE ARG 32 HE ARG 32 -6.395 7.329 -4.931 263 HH11 ARG 32 1HH1 ARG 32 -8.686 8.889 -2.760 264 HH12 ARG 32 2HH1 ARG 32 -9.878 7.644 -2.943 265 HH21 ARG 32 1HH2 ARG 32 -7.971 5.691 -5.116 266 HH22 ARG 32 2HH2 ARG 32 -9.475 5.843 -4.269 267 H CYS 33 H CYS 33 -0.503 9.424 -3.593 268 HA CYS 33 HA CYS 33 -0.428 10.180 -0.818 269 HB2 CYS 33 2HB CYS 33 1.593 9.853 -2.461 270 HB3 CYS 33 3HB CYS 33 1.299 11.529 -2.885 271 H SER 34 H SER 34 -0.326 12.431 -3.622 272 HA SER 34 HA SER 34 -2.721 13.830 -2.797 273 HB2 SER 34 2HB SER 34 -0.023 15.269 -2.620 274 HB3 SER 34 3HB SER 34 -1.587 16.088 -2.566 275 HG SER 34 HG SER 34 -1.892 14.400 -0.733 276 H ASP 35 H ASP 35 0.277 14.353 -4.648 277 HA ASP 35 HA ASP 35 -1.263 15.035 -7.096 278 HB2 ASP 35 2HB ASP 35 1.650 15.599 -6.360 279 HB3 ASP 35 3HB ASP 35 0.919 16.020 -7.906 280 H THR 36 H THR 36 0.849 12.705 -5.675 281 HA THR 36 HA THR 36 1.299 11.311 -8.251 282 HB THR 36 HB THR 36 2.900 11.073 -5.656 283 HG1 THR 36 HG1 THR 36 2.930 12.947 -7.562 284 HG21 THR 36 1HG2 THR 36 4.566 9.878 -7.037 285 HG22 THR 36 2HG2 THR 36 3.514 10.015 -8.447 286 HG23 THR 36 3HG2 THR 36 3.018 9.025 -7.074 287 H LYS 37 H LYS 37 0.299 9.383 -8.493 288 HA LYS 37 HA LYS 37 -0.552 7.794 -6.147 289 HB2 LYS 37 2HB LYS 37 -2.555 8.860 -7.122 290 HB3 LYS 37 3HB LYS 37 -2.126 8.263 -8.723 291 HG2 LYS 37 2HG LYS 37 -2.389 5.910 -7.844 292 HG3 LYS 37 3HG LYS 37 -2.965 6.590 -6.319 293 HD2 LYS 37 2HD LYS 37 -4.278 6.948 -9.046 294 HD3 LYS 37 3HD LYS 37 -4.839 5.873 -7.763 295 HE2 LYS 37 2HE LYS 37 -5.256 7.820 -6.311 296 HE3 LYS 37 3HE LYS 37 -4.682 8.902 -7.585 297 HZ1 LYS 37 1HZ LYS 37 -7.056 7.129 -7.717 298 HZ2 LYS 37 2HZ LYS 37 -6.489 8.076 -8.995 299 HZ3 LYS 37 3HZ LYS 37 -7.065 8.816 -7.588 300 H TYR 38 H TYR 38 0.506 5.900 -6.221 301 HA TYR 38 HA TYR 38 1.224 4.633 -8.803 302 HB2 TYR 38 2HB TYR 38 3.444 3.965 -7.656 303 HB3 TYR 38 3HB TYR 38 3.294 5.634 -8.158 304 HD1 TYR 38 HD1 TYR 38 3.534 3.400 -5.247 305 HD2 TYR 38 HD2 TYR 38 3.106 7.452 -6.505 306 HE1 TYR 38 HE1 TYR 38 4.092 4.148 -2.981 307 HE2 TYR 38 HE2 TYR 38 3.686 8.219 -4.246 308 HH TYR 38 HH TYR 38 5.032 6.208 -1.923 309 H THR 39 H THR 39 1.235 2.367 -8.754 310 HA THR 39 HA THR 39 -0.042 1.142 -6.376 311 HB THR 39 HB THR 39 -0.598 0.527 -9.316 312 HG1 THR 39 HG1 THR 39 -2.354 1.705 -7.404 313 HG21 THR 39 1HG2 THR 39 -1.913 -0.566 -6.803 314 HG22 THR 39 2HG2 THR 39 -0.905 -1.479 -7.933 315 HG23 THR 39 3HG2 THR 39 -2.474 -0.847 -8.446 316 H LEU 40 H LEU 40 1.317 -0.217 -5.459 317 HA LEU 40 HA LEU 40 3.357 -1.689 -6.969 318 HB2 LEU 40 2HB LEU 40 3.023 -1.001 -4.037 319 HB3 LEU 40 3HB LEU 40 4.028 -2.360 -4.509 320 HG LEU 40 HG LEU 40 5.306 -0.661 -6.015 321 HD11 LEU 40 1HD1 LEU 40 3.685 1.158 -5.911 322 HD12 LEU 40 2HD1 LEU 40 5.252 1.669 -5.285 323 HD13 LEU 40 3HD1 LEU 40 3.934 1.300 -4.167 324 HD21 LEU 40 1HD2 LEU 40 6.757 0.029 -4.142 325 HD22 LEU 40 2HD2 LEU 40 6.308 -1.672 -4.042 326 HD23 LEU 40 3HD2 LEU 40 5.517 -0.490 -2.997 327 H CYS 41 H CYS 41 2.423 -3.396 -7.862 328 HA CYS 41 HA CYS 41 0.542 -5.095 -6.421 329 HB2 CYS 41 2HB CYS 41 1.565 -5.263 -9.278 330 HB3 CYS 41 3HB CYS 41 0.292 -6.268 -8.590 Start of MODEL 7 1 H1 SER 1 1H SER 1 -0.368 -16.154 -1.075 2 H2 SER 1 2H SER 1 0.194 -16.810 0.373 3 H3 SER 1 3H SER 1 0.861 -17.311 -1.093 4 HA SER 1 HA SER 1 2.331 -15.827 0.054 5 HB2 SER 1 2HB SER 1 2.320 -15.862 -2.434 6 HB3 SER 1 3HB SER 1 1.097 -14.592 -2.447 7 HG SER 1 HG SER 1 3.770 -14.452 -1.533 8 H GLN 2 H GLN 2 2.547 -14.143 1.460 9 HA GLN 2 HA GLN 2 0.258 -12.425 2.075 10 HB2 GLN 2 2HB GLN 2 1.623 -13.553 3.876 11 HB3 GLN 2 3HB GLN 2 3.001 -12.555 3.432 12 HG2 GLN 2 2HG GLN 2 1.649 -10.521 4.039 13 HG3 GLN 2 3HG GLN 2 0.346 -11.590 4.553 14 HE21 GLN 2 1HE2 GLN 2 0.448 -10.671 6.627 15 HE22 GLN 2 2HE2 GLN 2 1.710 -11.060 7.741 16 H GLU 3 H GLU 3 2.442 -12.250 -0.298 17 HA GLU 3 HA GLU 3 4.119 -10.094 -0.080 18 HB2 GLU 3 2HB GLU 3 4.250 -11.675 -1.935 19 HB3 GLU 3 3HB GLU 3 2.676 -11.180 -2.539 20 HG2 GLU 3 2HG GLU 3 4.540 -10.305 -3.916 21 HG3 GLU 3 3HG GLU 3 3.552 -9.019 -3.218 22 H THR 4 H THR 4 0.774 -10.016 -1.345 23 HA THR 4 HA THR 4 0.710 -7.263 -1.936 24 HB THR 4 HB THR 4 -0.861 -8.787 -3.019 25 HG1 THR 4 HG1 THR 4 -1.614 -6.691 -2.913 26 HG21 THR 4 1HG2 THR 4 -1.249 -10.366 -1.156 27 HG22 THR 4 2HG2 THR 4 -2.771 -9.797 -1.845 28 HG23 THR 4 3HG2 THR 4 -2.195 -9.141 -0.308 29 H ARG 5 H ARG 5 -0.168 -9.048 1.024 30 HA ARG 5 HA ARG 5 -1.574 -6.872 2.292 31 HB2 ARG 5 2HB ARG 5 -0.495 -9.447 3.521 32 HB3 ARG 5 3HB ARG 5 -1.616 -8.332 4.294 33 HG2 ARG 5 2HG ARG 5 -3.332 -8.877 2.614 34 HG3 ARG 5 3HG ARG 5 -2.213 -9.988 1.817 35 HD2 ARG 5 2HD ARG 5 -2.156 -11.420 3.788 36 HD3 ARG 5 3HD ARG 5 -3.111 -10.260 4.715 37 HE ARG 5 HE ARG 5 -4.638 -11.011 2.498 38 HH11 ARG 5 1HH1 ARG 5 -3.285 -12.544 5.380 39 HH12 ARG 5 2HH1 ARG 5 -4.542 -13.730 5.491 40 HH21 ARG 5 1HH2 ARG 5 -6.341 -12.568 2.727 41 HH22 ARG 5 2HH2 ARG 5 -6.258 -13.740 4.000 42 H LYS 6 H LYS 6 1.622 -8.390 2.748 43 HA LYS 6 HA LYS 6 2.361 -6.815 5.027 44 HB2 LYS 6 2HB LYS 6 4.440 -8.056 5.015 45 HB3 LYS 6 3HB LYS 6 3.156 -9.181 4.605 46 HG2 LYS 6 2HG LYS 6 4.704 -9.828 3.035 47 HG3 LYS 6 3HG LYS 6 3.882 -8.574 2.105 48 HD2 LYS 6 2HD LYS 6 5.755 -6.999 3.167 49 HD3 LYS 6 3HD LYS 6 6.615 -8.521 3.405 50 HE2 LYS 6 2HE LYS 6 5.592 -7.482 0.740 51 HE3 LYS 6 3HE LYS 6 7.254 -7.359 1.317 52 HZ1 LYS 6 1HZ LYS 6 6.901 -9.228 -0.235 53 HZ2 LYS 6 2HZ LYS 6 5.841 -9.940 0.873 54 HZ3 LYS 6 3HZ LYS 6 7.466 -9.731 1.274 55 H LYS 7 H LYS 7 2.812 -6.577 1.553 56 HA LYS 7 HA LYS 7 4.855 -4.563 1.557 57 HB2 LYS 7 2HB LYS 7 4.511 -6.016 -0.379 58 HB3 LYS 7 3HB LYS 7 2.880 -5.398 -0.598 59 HG2 LYS 7 2HG LYS 7 3.688 -3.261 -1.363 60 HG3 LYS 7 3HG LYS 7 5.339 -3.628 -0.848 61 HD2 LYS 7 2HD LYS 7 5.013 -3.833 -3.328 62 HD3 LYS 7 3HD LYS 7 5.568 -5.330 -2.571 63 HE2 LYS 7 2HE LYS 7 3.024 -5.961 -2.497 64 HE3 LYS 7 3HE LYS 7 2.836 -4.667 -3.686 65 HZ1 LYS 7 1HZ LYS 7 3.159 -6.826 -4.742 66 HZ2 LYS 7 2HZ LYS 7 4.653 -7.004 -3.962 67 HZ3 LYS 7 3HZ LYS 7 4.433 -5.773 -5.105 68 H CYS 8 H CYS 8 1.319 -4.552 1.663 69 HA CYS 8 HA CYS 8 0.917 -1.763 1.330 70 HB2 CYS 8 2HB CYS 8 -0.893 -3.524 1.245 71 HB3 CYS 8 3HB CYS 8 -0.796 -3.639 3.001 72 H THR 9 H THR 9 1.447 -3.823 4.191 73 HA THR 9 HA THR 9 1.427 -1.888 6.228 74 HB THR 9 HB THR 9 3.115 -4.441 6.085 75 HG1 THR 9 HG1 THR 9 1.227 -5.370 6.028 76 HG21 THR 9 1HG2 THR 9 2.014 -2.949 8.513 77 HG22 THR 9 2HG2 THR 9 3.709 -3.002 8.025 78 HG23 THR 9 3HG2 THR 9 2.900 -4.476 8.552 79 H GLU 10 H GLU 10 4.026 -3.061 4.147 80 HA GLU 10 HA GLU 10 6.244 -1.658 5.139 81 HB2 GLU 10 2HB GLU 10 6.471 -3.580 3.620 82 HB3 GLU 10 3HB GLU 10 5.622 -2.720 2.349 83 HG2 GLU 10 2HG GLU 10 8.014 -2.808 1.876 84 HG3 GLU 10 3HG GLU 10 7.490 -1.143 2.125 85 H MET 11 H MET 11 3.898 -0.862 2.585 86 HA MET 11 HA MET 11 5.119 1.609 1.838 87 HB2 MET 11 2HB MET 11 2.351 0.508 1.235 88 HB3 MET 11 3HB MET 11 2.983 1.997 0.555 89 HG2 MET 11 2HG MET 11 4.123 -0.763 0.074 90 HG3 MET 11 3HG MET 11 3.060 0.108 -1.017 91 HE1 MET 11 1HE MET 11 7.580 0.694 -0.546 92 HE2 MET 11 2HE MET 11 6.664 -0.787 -0.266 93 HE3 MET 11 3HE MET 11 6.564 0.545 0.888 94 H LYS 12 H LYS 12 2.764 0.719 4.297 95 HA LYS 12 HA LYS 12 1.709 3.364 4.726 96 HB2 LYS 12 2HB LYS 12 1.652 0.834 6.419 97 HB3 LYS 12 3HB LYS 12 0.919 2.344 6.966 98 HG2 LYS 12 2HG LYS 12 -0.587 2.354 5.063 99 HG3 LYS 12 3HG LYS 12 0.189 0.914 4.401 100 HD2 LYS 12 2HD LYS 12 -0.573 -0.395 6.361 101 HD3 LYS 12 3HD LYS 12 -1.354 1.047 7.021 102 HE2 LYS 12 2HE LYS 12 -2.834 1.152 5.058 103 HE3 LYS 12 3HE LYS 12 -2.030 -0.259 4.369 104 HZ1 LYS 12 1HZ LYS 12 -4.125 -0.816 5.462 105 HZ2 LYS 12 2HZ LYS 12 -3.528 -0.242 6.933 106 HZ3 LYS 12 3HZ LYS 12 -2.815 -1.585 6.200 107 H LYS 13 H LYS 13 4.179 1.410 6.414 108 HA LYS 13 HA LYS 13 4.788 3.423 8.360 109 HB2 LYS 13 2HB LYS 13 6.628 1.965 9.046 110 HB3 LYS 13 3HB LYS 13 5.167 1.016 8.783 111 HG2 LYS 13 2HG LYS 13 6.015 0.249 6.618 112 HG3 LYS 13 3HG LYS 13 7.467 1.239 6.814 113 HD2 LYS 13 2HD LYS 13 8.080 -0.115 8.830 114 HD3 LYS 13 3HD LYS 13 6.650 -1.120 8.569 115 HE2 LYS 13 2HE LYS 13 7.527 -1.848 6.417 116 HE3 LYS 13 3HE LYS 13 8.928 -0.788 6.603 117 HZ1 LYS 13 1HZ LYS 13 8.245 -3.080 8.364 118 HZ2 LYS 13 2HZ LYS 13 9.575 -2.058 8.554 119 HZ3 LYS 13 3HZ LYS 13 9.469 -3.055 7.197 120 H LYS 14 H LYS 14 5.793 2.838 5.134 121 HA LYS 14 HA LYS 14 8.174 4.514 5.197 122 HB2 LYS 14 2HB LYS 14 7.474 2.326 3.671 123 HB3 LYS 14 3HB LYS 14 6.998 3.605 2.569 124 HG2 LYS 14 2HG LYS 14 9.766 3.347 3.783 125 HG3 LYS 14 3HG LYS 14 9.312 2.664 2.219 126 HD2 LYS 14 2HD LYS 14 8.832 4.920 1.367 127 HD3 LYS 14 3HD LYS 14 9.213 5.616 2.944 128 HE2 LYS 14 2HE LYS 14 11.530 4.898 2.738 129 HE3 LYS 14 3HE LYS 14 11.178 4.080 1.210 130 HZ1 LYS 14 1HZ LYS 14 10.597 6.231 0.246 131 HZ2 LYS 14 2HZ LYS 14 12.183 6.235 0.823 132 HZ3 LYS 14 3HZ LYS 14 10.966 7.007 1.703 133 H PHE 15 H PHE 15 4.853 4.605 3.951 134 HA PHE 15 HA PHE 15 5.080 7.471 3.176 135 HB2 PHE 15 2HB PHE 15 3.312 5.321 1.918 136 HB3 PHE 15 3HB PHE 15 3.462 6.975 1.364 137 HD1 PHE 15 HD1 PHE 15 4.384 3.734 0.590 138 HD2 PHE 15 HD2 PHE 15 6.164 7.618 0.948 139 HE1 PHE 15 HE1 PHE 15 6.228 3.030 -0.874 140 HE2 PHE 15 HE2 PHE 15 8.000 6.887 -0.528 141 HZ PHE 15 HZ PHE 15 8.028 4.591 -1.440 142 H LYS 16 H LYS 16 4.498 7.719 5.467 143 HA LYS 16 HA LYS 16 2.096 6.672 6.577 144 HB2 LYS 16 2HB LYS 16 2.583 8.240 8.496 145 HB3 LYS 16 3HB LYS 16 3.874 7.122 8.082 146 HG2 LYS 16 2HG LYS 16 5.101 8.892 6.937 147 HG3 LYS 16 3HG LYS 16 3.794 10.035 7.237 148 HD2 LYS 16 2HD LYS 16 5.363 8.662 9.451 149 HD3 LYS 16 3HD LYS 16 5.811 10.224 8.766 150 HE2 LYS 16 2HE LYS 16 4.608 10.660 10.779 151 HE3 LYS 16 3HE LYS 16 3.535 11.082 9.447 152 HZ1 LYS 16 1HZ LYS 16 2.347 9.015 9.779 153 HZ2 LYS 16 2HZ LYS 16 2.406 9.872 11.229 154 HZ3 LYS 16 3HZ LYS 16 3.422 8.542 10.994 155 H ASN 17 H ASN 17 2.828 9.742 5.020 156 HA ASN 17 HA ASN 17 0.115 10.792 5.555 157 HB2 ASN 17 2HB ASN 17 2.572 12.114 4.311 158 HB3 ASN 17 3HB ASN 17 1.017 12.913 4.526 159 HD21 ASN 17 1HD2 ASN 17 3.876 11.767 6.151 160 HD22 ASN 17 2HD2 ASN 17 3.549 12.515 7.670 161 H CYS 18 H CYS 18 0.817 8.537 3.660 162 HA CYS 18 HA CYS 18 -0.570 9.586 1.263 163 HB2 CYS 18 2HB CYS 18 1.470 7.330 1.404 164 HB3 CYS 18 3HB CYS 18 0.562 7.794 -0.033 165 H GLU 19 H GLU 19 -2.231 8.341 0.421 166 HA GLU 19 HA GLU 19 -3.598 6.596 2.274 167 HB2 GLU 19 2HB GLU 19 -4.778 8.331 0.861 168 HB3 GLU 19 3HB GLU 19 -4.424 7.353 -0.555 169 HG2 GLU 19 2HG GLU 19 -5.751 5.491 0.340 170 HG3 GLU 19 3HG GLU 19 -6.068 6.394 1.824 171 H VAL 20 H VAL 20 -2.175 4.871 2.349 172 HA VAL 20 HA VAL 20 -1.428 3.318 -0.001 173 HB VAL 20 HB VAL 20 -0.924 2.912 2.992 174 HG11 VAL 20 1HG1 VAL 20 0.238 1.395 0.638 175 HG12 VAL 20 2HG1 VAL 20 -0.902 0.758 1.824 176 HG13 VAL 20 3HG1 VAL 20 0.727 1.208 2.325 177 HG21 VAL 20 1HG2 VAL 20 0.165 4.915 2.087 178 HG22 VAL 20 2HG2 VAL 20 0.941 3.939 0.836 179 HG23 VAL 20 3HG2 VAL 20 1.352 3.685 2.533 180 H ARG 21 H ARG 21 -2.912 1.910 -0.795 181 HA ARG 21 HA ARG 21 -5.256 1.083 0.786 182 HB2 ARG 21 2HB ARG 21 -4.751 1.082 -2.231 183 HB3 ARG 21 3HB ARG 21 -6.271 0.628 -1.460 184 HG2 ARG 21 2HG ARG 21 -6.632 2.896 -0.693 185 HG3 ARG 21 3HG ARG 21 -5.024 3.388 -1.227 186 HD2 ARG 21 2HD ARG 21 -5.651 3.077 -3.560 187 HD3 ARG 21 3HD ARG 21 -7.222 2.413 -3.091 188 HE ARG 21 HE ARG 21 -6.805 5.055 -2.061 189 HH11 ARG 21 1HH1 ARG 21 -7.730 3.314 -4.981 190 HH12 ARG 21 2HH1 ARG 21 -8.660 4.630 -5.618 191 HH21 ARG 21 1HH2 ARG 21 -8.094 6.760 -2.892 192 HH22 ARG 21 2HH2 ARG 21 -8.861 6.581 -4.422 193 H CYS 22 H CYS 22 -5.057 -0.903 1.684 194 HA CYS 22 HA CYS 22 -3.456 -3.065 0.534 195 HB2 CYS 22 2HB CYS 22 -5.343 -3.125 2.936 196 HB3 CYS 22 3HB CYS 22 -4.069 -4.282 2.566 197 H ASP 23 H ASP 23 -4.357 -4.908 -0.517 198 HA ASP 23 HA ASP 23 -7.034 -5.724 -0.320 199 HB2 ASP 23 2HB ASP 23 -7.285 -3.521 -1.717 200 HB3 ASP 23 3HB ASP 23 -6.610 -4.447 -3.055 201 H GLU 24 H GLU 24 -6.653 -7.812 -0.448 202 HA GLU 24 HA GLU 24 -4.590 -9.029 -2.045 203 HB2 GLU 24 2HB GLU 24 -5.385 -11.164 -1.136 204 HB3 GLU 24 3HB GLU 24 -5.264 -9.963 0.149 205 HG2 GLU 24 2HG GLU 24 -7.710 -9.596 0.018 206 HG3 GLU 24 3HG GLU 24 -7.817 -10.834 -1.231 207 H SER 25 H SER 25 -7.995 -8.413 -2.497 208 HA SER 25 HA SER 25 -8.468 -10.237 -4.644 209 HB2 SER 25 2HB SER 25 -9.983 -7.667 -4.005 210 HB3 SER 25 3HB SER 25 -10.571 -9.034 -4.956 211 HG SER 25 HG SER 25 -10.937 -8.718 -2.456 212 H ASN 26 H ASN 26 -7.345 -6.914 -4.475 213 HA ASN 26 HA ASN 26 -7.144 -6.470 -7.331 214 HB2 ASN 26 2HB ASN 26 -7.490 -4.603 -5.688 215 HB3 ASN 26 3HB ASN 26 -5.904 -4.922 -5.004 216 HD21 ASN 26 1HD2 ASN 26 -5.153 -2.846 -5.466 217 HD22 ASN 26 2HD2 ASN 26 -4.829 -2.286 -7.068 218 H HIS 27 H HIS 27 -5.204 -7.817 -4.762 219 HA HIS 27 HA HIS 27 -3.171 -8.799 -4.604 220 HB2 HIS 27 2HB HIS 27 -3.249 -8.955 -7.655 221 HB3 HIS 27 3HB HIS 27 -2.155 -9.855 -6.614 222 HD1 HIS 27 HD1 HIS 27 -3.015 -12.021 -5.601 223 HD2 HIS 27 HD2 HIS 27 -5.971 -9.880 -7.569 224 HE1 HIS 27 HE1 HIS 27 -5.008 -13.535 -5.677 225 HE2 HIS 27 HE2 HIS 27 -6.817 -12.156 -6.730 226 H CYS 28 H CYS 28 -3.429 -5.905 -4.827 227 HA CYS 28 HA CYS 28 -0.760 -5.070 -5.560 228 HB2 CYS 28 2HB CYS 28 -2.066 -5.288 -7.754 229 HB3 CYS 28 3HB CYS 28 -3.090 -3.973 -7.196 230 H VAL 29 H VAL 29 -0.214 -3.275 -4.479 231 HA VAL 29 HA VAL 29 -2.109 -2.027 -2.620 232 HB VAL 29 HB VAL 29 0.945 -1.842 -2.750 233 HG11 VAL 29 1HG1 VAL 29 0.814 -0.987 -0.435 234 HG12 VAL 29 2HG1 VAL 29 -0.949 -1.009 -0.527 235 HG13 VAL 29 3HG1 VAL 29 -0.024 0.066 -1.578 236 HG21 VAL 29 1HG2 VAL 29 0.255 -4.162 -2.356 237 HG22 VAL 29 2HG2 VAL 29 -0.745 -3.656 -0.991 238 HG23 VAL 29 3HG2 VAL 29 1.010 -3.480 -0.912 239 H GLU 30 H GLU 30 -3.018 -0.070 -3.311 240 HA GLU 30 HA GLU 30 -1.448 1.587 -5.197 241 HB2 GLU 30 2HB GLU 30 -3.723 1.043 -5.955 242 HB3 GLU 30 3HB GLU 30 -4.405 1.809 -4.519 243 HG2 GLU 30 2HG GLU 30 -3.604 3.985 -5.192 244 HG3 GLU 30 3HG GLU 30 -2.639 3.296 -6.500 245 H VAL 31 H VAL 31 -0.287 3.114 -4.305 246 HA VAL 31 HA VAL 31 -1.045 4.359 -1.748 247 HB VAL 31 HB VAL 31 1.587 4.563 -3.262 248 HG11 VAL 31 1HG1 VAL 31 1.250 6.410 -1.733 249 HG12 VAL 31 2HG1 VAL 31 2.510 5.345 -1.110 250 HG13 VAL 31 3HG1 VAL 31 0.888 5.302 -0.408 251 HG21 VAL 31 1HG2 VAL 31 2.508 2.906 -1.684 252 HG22 VAL 31 2HG2 VAL 31 1.216 2.225 -2.676 253 HG23 VAL 31 3HG2 VAL 31 0.897 2.667 -0.992 254 H ARG 32 H ARG 32 -2.217 6.131 -2.009 255 HA ARG 32 HA ARG 32 -1.806 7.953 -4.303 256 HB2 ARG 32 2HB ARG 32 -4.012 6.797 -4.208 257 HB3 ARG 32 3HB ARG 32 -4.292 7.457 -2.601 258 HG2 ARG 32 2HG ARG 32 -4.432 9.712 -3.493 259 HG3 ARG 32 3HG ARG 32 -3.943 9.149 -5.085 260 HD2 ARG 32 2HD ARG 32 -6.520 8.411 -3.663 261 HD3 ARG 32 3HD ARG 32 -6.356 9.560 -4.993 262 HE ARG 32 HE ARG 32 -5.532 6.770 -5.426 263 HH11 ARG 32 1HH1 ARG 32 -7.900 9.324 -6.135 264 HH12 ARG 32 2HH1 ARG 32 -8.577 8.451 -7.474 265 HH21 ARG 32 1HH2 ARG 32 -6.490 5.679 -7.171 266 HH22 ARG 32 2HH2 ARG 32 -7.777 6.408 -8.045 267 H CYS 33 H CYS 33 -0.169 9.188 -3.295 268 HA CYS 33 HA CYS 33 -0.389 10.341 -0.678 269 HB2 CYS 33 2HB CYS 33 1.437 11.063 -3.007 270 HB3 CYS 33 3HB CYS 33 1.634 11.645 -1.359 271 H SER 34 H SER 34 -0.043 12.171 -3.741 272 HA SER 34 HA SER 34 -2.518 13.495 -3.731 273 HB2 SER 34 2HB SER 34 -1.570 14.693 -1.723 274 HB3 SER 34 3HB SER 34 -0.227 15.263 -2.711 275 HG SER 34 HG SER 34 -1.674 16.474 -3.921 276 H ASP 35 H ASP 35 0.936 13.673 -4.517 277 HA ASP 35 HA ASP 35 0.403 15.028 -7.086 278 HB2 ASP 35 2HB ASP 35 3.003 14.646 -5.521 279 HB3 ASP 35 3HB ASP 35 2.893 15.473 -7.073 280 H THR 36 H THR 36 1.553 11.966 -5.803 281 HA THR 36 HA THR 36 3.105 11.398 -8.229 282 HB THR 36 HB THR 36 3.104 9.680 -5.715 283 HG1 THR 36 HG1 THR 36 4.854 11.873 -6.156 284 HG21 THR 36 1HG2 THR 36 5.270 10.256 -7.773 285 HG22 THR 36 2HG2 THR 36 4.307 8.778 -7.699 286 HG23 THR 36 3HG2 THR 36 5.419 9.177 -6.386 287 H LYS 37 H LYS 37 1.019 9.419 -6.068 288 HA LYS 37 HA LYS 37 -0.408 7.729 -6.341 289 HB2 LYS 37 2HB LYS 37 -1.450 9.673 -7.868 290 HB3 LYS 37 3HB LYS 37 -1.140 8.537 -9.163 291 HG2 LYS 37 2HG LYS 37 -2.626 7.437 -6.808 292 HG3 LYS 37 3HG LYS 37 -3.470 8.670 -7.733 293 HD2 LYS 37 2HD LYS 37 -4.183 6.585 -8.622 294 HD3 LYS 37 3HD LYS 37 -3.066 7.251 -9.810 295 HE2 LYS 37 2HE LYS 37 -1.313 5.731 -9.025 296 HE3 LYS 37 3HE LYS 37 -2.383 5.134 -7.755 297 HZ1 LYS 37 1HZ LYS 37 -2.288 3.648 -9.700 298 HZ2 LYS 37 2HZ LYS 37 -2.938 4.880 -10.669 299 HZ3 LYS 37 3HZ LYS 37 -3.853 4.228 -9.407 300 H TYR 38 H TYR 38 0.766 5.930 -6.298 301 HA TYR 38 HA TYR 38 1.602 4.654 -8.819 302 HB2 TYR 38 2HB TYR 38 3.713 3.855 -7.581 303 HB3 TYR 38 3HB TYR 38 3.684 5.534 -8.073 304 HD1 TYR 38 HD1 TYR 38 3.800 3.278 -5.215 305 HD2 TYR 38 HD2 TYR 38 3.349 7.339 -6.409 306 HE1 TYR 38 HE1 TYR 38 4.306 3.977 -2.930 307 HE2 TYR 38 HE2 TYR 38 3.885 8.075 -4.126 308 HH TYR 38 HH TYR 38 5.151 5.956 -1.766 309 H THR 39 H THR 39 1.599 2.347 -8.747 310 HA THR 39 HA THR 39 0.083 1.193 -6.481 311 HB THR 39 HB THR 39 -0.528 0.584 -9.416 312 HG1 THR 39 HG1 THR 39 -2.515 1.985 -8.305 313 HG21 THR 39 1HG2 THR 39 -2.161 0.122 -6.901 314 HG22 THR 39 2HG2 THR 39 -1.278 -1.112 -7.786 315 HG23 THR 39 3HG2 THR 39 -2.644 -0.303 -8.544 316 H LEU 40 H LEU 40 1.482 -0.218 -5.621 317 HA LEU 40 HA LEU 40 3.501 -1.657 -7.128 318 HB2 LEU 40 2HB LEU 40 2.956 -1.201 -4.178 319 HB3 LEU 40 3HB LEU 40 3.994 -2.532 -4.668 320 HG LEU 40 HG LEU 40 5.404 -0.766 -5.923 321 HD11 LEU 40 1HD1 LEU 40 5.292 1.535 -5.069 322 HD12 LEU 40 2HD1 LEU 40 3.820 1.126 -4.181 323 HD13 LEU 40 3HD1 LEU 40 3.834 1.064 -5.946 324 HD21 LEU 40 1HD2 LEU 40 5.329 -0.690 -2.896 325 HD22 LEU 40 2HD2 LEU 40 6.683 -0.189 -3.913 326 HD23 LEU 40 3HD2 LEU 40 6.175 -1.875 -3.892 327 H CYS 41 H CYS 41 2.526 -3.252 -8.267 328 HA CYS 41 HA CYS 41 0.636 -5.114 -7.088 329 HB2 CYS 41 2HB CYS 41 1.817 -4.893 -9.872 330 HB3 CYS 41 3HB CYS 41 0.672 -6.144 -9.403 Start of MODEL 8 1 H1 SER 1 1H SER 1 -4.067 -13.422 2.891 2 H2 SER 1 2H SER 1 -3.479 -13.944 4.386 3 H3 SER 1 3H SER 1 -4.058 -15.071 3.266 4 HA SER 1 HA SER 1 -1.667 -15.069 3.358 5 HB2 SER 1 2HB SER 1 -2.792 -13.966 0.746 6 HB3 SER 1 3HB SER 1 -1.288 -14.873 0.920 7 HG SER 1 HG SER 1 -2.580 -16.494 0.491 8 H GLN 2 H GLN 2 -0.162 -13.785 4.242 9 HA GLN 2 HA GLN 2 -0.274 -10.880 4.110 10 HB2 GLN 2 2HB GLN 2 0.227 -12.230 6.214 11 HB3 GLN 2 3HB GLN 2 1.774 -12.667 5.499 12 HG2 GLN 2 2HG GLN 2 2.207 -10.122 5.344 13 HG3 GLN 2 3HG GLN 2 0.840 -9.945 6.443 14 HE21 GLN 2 1HE2 GLN 2 2.062 -9.163 8.162 15 HE22 GLN 2 2HE2 GLN 2 3.230 -10.108 9.003 16 H GLU 3 H GLU 3 0.081 -11.209 1.671 17 HA GLU 3 HA GLU 3 2.962 -11.275 0.929 18 HB2 GLU 3 2HB GLU 3 0.571 -11.885 -0.874 19 HB3 GLU 3 3HB GLU 3 2.274 -12.040 -1.302 20 HG2 GLU 3 2HG GLU 3 2.529 -13.889 0.300 21 HG3 GLU 3 3HG GLU 3 0.843 -13.706 0.797 22 H THR 4 H THR 4 0.017 -10.149 -0.683 23 HA THR 4 HA THR 4 1.038 -7.599 -1.443 24 HB THR 4 HB THR 4 -0.674 -8.560 -2.816 25 HG1 THR 4 HG1 THR 4 -0.817 -6.246 -2.391 26 HG21 THR 4 1HG2 THR 4 -2.517 -8.653 -0.406 27 HG22 THR 4 2HG2 THR 4 -1.765 -10.048 -1.182 28 HG23 THR 4 3HG2 THR 4 -2.953 -9.088 -2.067 29 H ARG 5 H ARG 5 -0.723 -8.858 1.307 30 HA ARG 5 HA ARG 5 -1.508 -6.457 2.568 31 HB2 ARG 5 2HB ARG 5 -0.811 -9.150 3.812 32 HB3 ARG 5 3HB ARG 5 -1.602 -7.825 4.661 33 HG2 ARG 5 2HG ARG 5 -3.557 -8.028 3.170 34 HG3 ARG 5 3HG ARG 5 -2.769 -9.365 2.317 35 HD2 ARG 5 2HD ARG 5 -2.675 -10.643 4.437 36 HD3 ARG 5 3HD ARG 5 -3.488 -9.317 5.271 37 HE ARG 5 HE ARG 5 -5.187 -10.034 3.231 38 HH11 ARG 5 1HH1 ARG 5 -3.702 -11.686 5.975 39 HH12 ARG 5 2HH1 ARG 5 -5.019 -12.791 6.176 40 HH21 ARG 5 1HH2 ARG 5 -6.942 -11.445 3.552 41 HH22 ARG 5 2HH2 ARG 5 -6.870 -12.660 4.793 42 H LYS 6 H LYS 6 1.477 -8.455 2.831 43 HA LYS 6 HA LYS 6 2.627 -6.912 4.940 44 HB2 LYS 6 2HB LYS 6 4.429 -8.394 4.898 45 HB3 LYS 6 3HB LYS 6 3.188 -9.386 4.162 46 HG2 LYS 6 2HG LYS 6 4.902 -9.833 2.703 47 HG3 LYS 6 3HG LYS 6 4.243 -8.405 1.903 48 HD2 LYS 6 2HD LYS 6 5.981 -7.066 3.355 49 HD3 LYS 6 3HD LYS 6 6.750 -8.631 3.614 50 HE2 LYS 6 2HE LYS 6 6.997 -8.881 1.168 51 HE3 LYS 6 3HE LYS 6 6.252 -7.296 0.940 52 HZ1 LYS 6 1HZ LYS 6 8.101 -6.289 2.131 53 HZ2 LYS 6 2HZ LYS 6 8.672 -7.196 0.825 54 HZ3 LYS 6 3HZ LYS 6 8.800 -7.804 2.394 55 H LYS 7 H LYS 7 2.690 -6.760 1.429 56 HA LYS 7 HA LYS 7 4.764 -4.833 1.127 57 HB2 LYS 7 2HB LYS 7 4.060 -6.241 -0.730 58 HB3 LYS 7 3HB LYS 7 2.429 -5.577 -0.681 59 HG2 LYS 7 2HG LYS 7 3.231 -3.402 -1.446 60 HG3 LYS 7 3HG LYS 7 4.911 -3.932 -1.318 61 HD2 LYS 7 2HD LYS 7 2.849 -5.109 -3.215 62 HD3 LYS 7 3HD LYS 7 4.080 -3.932 -3.663 63 HE2 LYS 7 2HE LYS 7 5.852 -5.529 -3.119 64 HE3 LYS 7 3HE LYS 7 4.658 -6.696 -2.552 65 HZ1 LYS 7 1HZ LYS 7 5.518 -7.103 -4.811 66 HZ2 LYS 7 2HZ LYS 7 4.758 -5.689 -5.336 67 HZ3 LYS 7 3HZ LYS 7 3.839 -6.969 -4.729 68 H CYS 8 H CYS 8 1.230 -4.604 1.545 69 HA CYS 8 HA CYS 8 0.961 -1.808 1.308 70 HB2 CYS 8 2HB CYS 8 -0.985 -3.326 1.327 71 HB3 CYS 8 3HB CYS 8 -0.686 -3.697 3.025 72 H THR 9 H THR 9 1.774 -3.894 4.053 73 HA THR 9 HA THR 9 1.826 -1.927 6.092 74 HB THR 9 HB THR 9 3.397 -4.544 5.898 75 HG1 THR 9 HG1 THR 9 1.004 -4.620 5.694 76 HG21 THR 9 1HG2 THR 9 4.241 -3.092 7.725 77 HG22 THR 9 2HG2 THR 9 3.390 -4.490 8.387 78 HG23 THR 9 3HG2 THR 9 2.595 -2.916 8.350 79 H GLU 10 H GLU 10 4.247 -3.258 3.903 80 HA GLU 10 HA GLU 10 6.573 -1.950 4.786 81 HB2 GLU 10 2HB GLU 10 6.548 -3.939 3.312 82 HB3 GLU 10 3HB GLU 10 5.845 -2.977 2.013 83 HG2 GLU 10 2HG GLU 10 7.921 -1.554 2.043 84 HG3 GLU 10 3HG GLU 10 8.611 -2.675 3.222 85 H MET 11 H MET 11 4.012 -0.973 2.582 86 HA MET 11 HA MET 11 5.343 1.446 1.739 87 HB2 MET 11 2HB MET 11 2.518 0.447 1.320 88 HB3 MET 11 3HB MET 11 3.121 1.957 0.658 89 HG2 MET 11 2HG MET 11 4.160 -0.811 -0.021 90 HG3 MET 11 3HG MET 11 3.093 0.168 -1.019 91 HE1 MET 11 1HE MET 11 6.675 -0.920 -0.474 92 HE2 MET 11 2HE MET 11 6.731 0.350 0.750 93 HE3 MET 11 3HE MET 11 7.658 0.518 -0.742 94 H LYS 12 H LYS 12 2.662 0.676 4.012 95 HA LYS 12 HA LYS 12 1.913 3.325 4.613 96 HB2 LYS 12 2HB LYS 12 1.554 0.743 6.162 97 HB3 LYS 12 3HB LYS 12 0.949 2.279 6.781 98 HG2 LYS 12 2HG LYS 12 -0.459 2.543 4.790 99 HG3 LYS 12 3HG LYS 12 0.151 1.025 4.137 100 HD2 LYS 12 2HD LYS 12 -1.422 1.305 6.725 101 HD3 LYS 12 3HD LYS 12 -2.107 0.817 5.173 102 HE2 LYS 12 2HE LYS 12 -0.532 -1.145 5.178 103 HE3 LYS 12 3HE LYS 12 -0.039 -0.680 6.811 104 HZ1 LYS 12 1HZ LYS 12 -2.302 -0.973 7.555 105 HZ2 LYS 12 2HZ LYS 12 -1.755 -2.392 6.821 106 HZ3 LYS 12 3HZ LYS 12 -2.815 -1.369 5.993 107 H LYS 13 H LYS 13 4.339 1.231 6.062 108 HA LYS 13 HA LYS 13 4.920 2.831 8.331 109 HB2 LYS 13 2HB LYS 13 6.821 1.379 8.679 110 HB3 LYS 13 3HB LYS 13 5.454 0.407 8.147 111 HG2 LYS 13 2HG LYS 13 6.462 0.528 5.795 112 HG3 LYS 13 3HG LYS 13 7.914 1.190 6.552 113 HD2 LYS 13 2HD LYS 13 6.657 -1.511 7.168 114 HD3 LYS 13 3HD LYS 13 8.071 -1.246 6.151 115 HE2 LYS 13 2HE LYS 13 7.924 -0.587 9.113 116 HE3 LYS 13 3HE LYS 13 8.662 -2.030 8.420 117 HZ1 LYS 13 1HZ LYS 13 9.525 0.766 7.956 118 HZ2 LYS 13 2HZ LYS 13 10.196 -0.589 7.207 119 HZ3 LYS 13 3HZ LYS 13 10.332 -0.396 8.881 120 H LYS 14 H LYS 14 5.867 3.093 5.026 121 HA LYS 14 HA LYS 14 7.975 5.079 5.538 122 HB2 LYS 14 2HB LYS 14 6.841 3.970 2.924 123 HB3 LYS 14 3HB LYS 14 8.206 5.083 3.048 124 HG2 LYS 14 2HG LYS 14 9.491 3.365 4.261 125 HG3 LYS 14 3HG LYS 14 8.123 2.250 4.133 126 HD2 LYS 14 2HD LYS 14 8.303 2.292 1.677 127 HD3 LYS 14 3HD LYS 14 9.636 3.448 1.775 128 HE2 LYS 14 2HE LYS 14 10.474 1.180 1.374 129 HE3 LYS 14 3HE LYS 14 10.998 1.765 2.957 130 HZ1 LYS 14 1HZ LYS 14 8.690 -0.042 2.479 131 HZ2 LYS 14 2HZ LYS 14 9.249 0.477 3.989 132 HZ3 LYS 14 3HZ LYS 14 10.212 -0.527 3.033 133 H PHE 15 H PHE 15 4.736 4.794 4.154 134 HA PHE 15 HA PHE 15 4.579 7.682 3.607 135 HB2 PHE 15 2HB PHE 15 2.967 5.556 2.154 136 HB3 PHE 15 3HB PHE 15 3.247 7.219 1.663 137 HD1 PHE 15 HD1 PHE 15 4.081 3.923 0.915 138 HD2 PHE 15 HD2 PHE 15 5.943 7.759 1.346 139 HE1 PHE 15 HE1 PHE 15 5.970 3.149 -0.447 140 HE2 PHE 15 HE2 PHE 15 7.839 6.969 -0.026 141 HZ PHE 15 HZ PHE 15 7.853 4.663 -0.924 142 H LYS 16 H LYS 16 3.940 7.655 5.948 143 HA LYS 16 HA LYS 16 1.397 6.676 6.779 144 HB2 LYS 16 2HB LYS 16 1.654 8.329 8.686 145 HB3 LYS 16 3HB LYS 16 2.962 7.166 8.527 146 HG2 LYS 16 2HG LYS 16 4.518 8.775 7.868 147 HG3 LYS 16 3HG LYS 16 3.292 9.875 7.242 148 HD2 LYS 16 2HD LYS 16 4.466 10.642 9.349 149 HD3 LYS 16 3HD LYS 16 2.704 10.624 9.442 150 HE2 LYS 16 2HE LYS 16 3.703 9.766 11.507 151 HE3 LYS 16 3HE LYS 16 2.809 8.485 10.692 152 HZ1 LYS 16 1HZ LYS 16 4.847 7.577 11.425 153 HZ2 LYS 16 2HZ LYS 16 5.747 8.864 10.800 154 HZ3 LYS 16 3HZ LYS 16 5.004 7.775 9.753 155 H ASN 17 H ASN 17 2.502 9.630 5.253 156 HA ASN 17 HA ASN 17 0.098 11.152 5.675 157 HB2 ASN 17 2HB ASN 17 2.453 11.591 3.776 158 HB3 ASN 17 3HB ASN 17 1.129 12.737 3.980 159 HD21 ASN 17 1HD2 ASN 17 0.959 13.896 5.929 160 HD22 ASN 17 2HD2 ASN 17 2.289 14.030 7.026 161 H CYS 18 H CYS 18 1.566 9.398 3.019 162 HA CYS 18 HA CYS 18 -0.483 10.004 1.106 163 HB2 CYS 18 2HB CYS 18 1.830 8.029 0.960 164 HB3 CYS 18 3HB CYS 18 0.893 8.639 -0.397 165 H GLU 19 H GLU 19 -2.068 8.632 0.293 166 HA GLU 19 HA GLU 19 -3.221 6.844 2.216 167 HB2 GLU 19 2HB GLU 19 -4.548 8.477 0.810 168 HB3 GLU 19 3HB GLU 19 -4.218 7.464 -0.590 169 HG2 GLU 19 2HG GLU 19 -5.470 5.622 0.344 170 HG3 GLU 19 3HG GLU 19 -5.658 6.459 1.887 171 H VAL 20 H VAL 20 -1.658 5.148 2.262 172 HA VAL 20 HA VAL 20 -1.367 3.368 -0.034 173 HB VAL 20 HB VAL 20 -0.615 2.908 2.890 174 HG11 VAL 20 1HG1 VAL 20 0.856 1.128 2.021 175 HG12 VAL 20 2HG1 VAL 20 0.280 1.445 0.382 176 HG13 VAL 20 3HG1 VAL 20 -0.831 0.820 1.603 177 HG21 VAL 20 1HG2 VAL 20 1.160 3.893 0.635 178 HG22 VAL 20 2HG2 VAL 20 1.689 3.505 2.273 179 HG23 VAL 20 3HG2 VAL 20 0.593 4.860 1.998 180 H ARG 21 H ARG 21 -3.265 2.261 -0.555 181 HA ARG 21 HA ARG 21 -4.989 1.260 1.614 182 HB2 ARG 21 2HB ARG 21 -6.734 1.000 -0.021 183 HB3 ARG 21 3HB ARG 21 -6.023 2.591 -0.252 184 HG2 ARG 21 2HG ARG 21 -4.696 1.623 -2.169 185 HG3 ARG 21 3HG ARG 21 -5.635 0.138 -1.985 186 HD2 ARG 21 2HD ARG 21 -6.878 1.190 -3.629 187 HD3 ARG 21 3HD ARG 21 -7.705 1.834 -2.209 188 HE ARG 21 HE ARG 21 -5.925 3.244 -4.038 189 HH11 ARG 21 1HH1 ARG 21 -7.723 3.458 -1.024 190 HH12 ARG 21 2HH1 ARG 21 -7.657 5.190 -0.982 191 HH21 ARG 21 1HH2 ARG 21 -5.853 5.476 -3.983 192 HH22 ARG 21 2HH2 ARG 21 -6.590 6.334 -2.667 193 H CYS 22 H CYS 22 -4.871 -0.790 2.195 194 HA CYS 22 HA CYS 22 -3.228 -2.730 0.859 195 HB2 CYS 22 2HB CYS 22 -5.147 -3.159 3.187 196 HB3 CYS 22 3HB CYS 22 -3.827 -4.221 2.703 197 H ASP 23 H ASP 23 -3.922 -4.544 -0.232 198 HA ASP 23 HA ASP 23 -6.760 -4.962 -0.790 199 HB2 ASP 23 2HB ASP 23 -6.070 -3.352 -2.527 200 HB3 ASP 23 3HB ASP 23 -4.674 -4.341 -2.936 201 H GLU 24 H GLU 24 -7.185 -6.984 -1.713 202 HA GLU 24 HA GLU 24 -5.074 -8.883 -2.328 203 HB2 GLU 24 2HB GLU 24 -5.936 -10.607 -0.746 204 HB3 GLU 24 3HB GLU 24 -5.283 -9.206 0.099 205 HG2 GLU 24 2HG GLU 24 -7.608 -8.346 0.408 206 HG3 GLU 24 3HG GLU 24 -8.224 -9.809 -0.358 207 H SER 25 H SER 25 -7.746 -7.403 -3.239 208 HA SER 25 HA SER 25 -9.369 -9.626 -4.181 209 HB2 SER 25 2HB SER 25 -10.398 -7.429 -3.508 210 HB3 SER 25 3HB SER 25 -9.571 -6.651 -4.856 211 HG SER 25 HG SER 25 -11.611 -7.157 -5.531 212 H ASN 26 H ASN 26 -7.459 -6.990 -5.664 213 HA ASN 26 HA ASN 26 -6.959 -8.674 -8.055 214 HB2 ASN 26 2HB ASN 26 -6.243 -6.591 -9.187 215 HB3 ASN 26 3HB ASN 26 -7.881 -6.443 -8.567 216 HD21 ASN 26 1HD2 ASN 26 -8.249 -5.064 -6.766 217 HD22 ASN 26 2HD2 ASN 26 -7.116 -3.844 -6.311 218 H HIS 27 H HIS 27 -5.608 -7.930 -5.116 219 HA HIS 27 HA HIS 27 -3.652 -8.346 -4.109 220 HB2 HIS 27 2HB HIS 27 -3.023 -9.946 -6.624 221 HB3 HIS 27 3HB HIS 27 -2.079 -10.014 -5.139 222 HD1 HIS 27 HD1 HIS 27 -2.951 -11.468 -3.233 223 HD2 HIS 27 HD2 HIS 27 -5.644 -11.117 -6.386 224 HE1 HIS 27 HE1 HIS 27 -4.780 -13.121 -2.758 225 HE2 HIS 27 HE2 HIS 27 -6.307 -12.990 -4.753 226 H CYS 28 H CYS 28 -3.839 -5.892 -5.198 227 HA CYS 28 HA CYS 28 -1.003 -5.241 -5.550 228 HB2 CYS 28 2HB CYS 28 -1.931 -5.414 -7.862 229 HB3 CYS 28 3HB CYS 28 -3.111 -4.166 -7.467 230 H VAL 29 H VAL 29 -0.467 -3.521 -4.400 231 HA VAL 29 HA VAL 29 -2.456 -2.123 -2.787 232 HB VAL 29 HB VAL 29 0.594 -2.244 -2.687 233 HG11 VAL 29 1HG1 VAL 29 -1.254 -0.831 -0.734 234 HG12 VAL 29 2HG1 VAL 29 -0.115 -0.049 -1.833 235 HG13 VAL 29 3HG1 VAL 29 0.484 -1.064 -0.519 236 HG21 VAL 29 1HG2 VAL 29 0.265 -3.567 -0.643 237 HG22 VAL 29 2HG2 VAL 29 -0.524 -4.334 -2.026 238 HG23 VAL 29 3HG2 VAL 29 -1.486 -3.447 -0.837 239 H GLU 30 H GLU 30 -3.216 -0.205 -3.515 240 HA GLU 30 HA GLU 30 -1.571 1.469 -5.292 241 HB2 GLU 30 2HB GLU 30 -3.891 1.166 -6.024 242 HB3 GLU 30 3HB GLU 30 -4.481 1.772 -4.478 243 HG2 GLU 30 2HG GLU 30 -3.438 3.978 -4.953 244 HG3 GLU 30 3HG GLU 30 -2.893 3.372 -6.507 245 H VAL 31 H VAL 31 -0.599 3.244 -4.576 246 HA VAL 31 HA VAL 31 -1.251 4.381 -1.929 247 HB VAL 31 HB VAL 31 1.391 4.627 -3.431 248 HG11 VAL 31 1HG1 VAL 31 0.957 6.502 -1.920 249 HG12 VAL 31 2HG1 VAL 31 2.254 5.498 -1.270 250 HG13 VAL 31 3HG1 VAL 31 0.628 5.390 -0.590 251 HG21 VAL 31 1HG2 VAL 31 2.335 3.034 -1.791 252 HG22 VAL 31 2HG2 VAL 31 1.074 2.290 -2.776 253 HG23 VAL 31 3HG2 VAL 31 0.720 2.781 -1.116 254 H ARG 32 H ARG 32 -2.619 6.060 -2.413 255 HA ARG 32 HA ARG 32 -2.020 7.988 -4.521 256 HB2 ARG 32 2HB ARG 32 -4.404 7.314 -3.735 257 HB3 ARG 32 3HB ARG 32 -4.080 8.272 -2.294 258 HG2 ARG 32 2HG ARG 32 -3.554 10.199 -3.978 259 HG3 ARG 32 3HG ARG 32 -4.382 9.179 -5.148 260 HD2 ARG 32 2HD ARG 32 -5.491 10.553 -2.717 261 HD3 ARG 32 3HD ARG 32 -6.062 10.625 -4.383 262 HE ARG 32 HE ARG 32 -6.479 8.435 -2.466 263 HH11 ARG 32 1HH1 ARG 32 -7.356 9.922 -5.544 264 HH12 ARG 32 2HH1 ARG 32 -8.750 8.917 -5.762 265 HH21 ARG 32 1HH2 ARG 32 -8.313 7.160 -2.737 266 HH22 ARG 32 2HH2 ARG 32 -9.289 7.340 -4.155 267 H CYS 33 H CYS 33 -1.568 10.302 -3.913 268 HA CYS 33 HA CYS 33 -1.286 10.937 -1.100 269 HB2 CYS 33 2HB CYS 33 1.040 10.057 -2.025 270 HB3 CYS 33 3HB CYS 33 1.139 11.637 -2.781 271 H SER 34 H SER 34 0.052 12.530 -3.994 272 HA SER 34 HA SER 34 -2.285 14.042 -4.614 273 HB2 SER 34 2HB SER 34 0.060 15.538 -3.337 274 HB3 SER 34 3HB SER 34 -1.180 16.332 -4.301 275 HG SER 34 HG SER 34 -1.440 15.053 -1.794 276 H ASP 35 H ASP 35 1.251 14.362 -4.812 277 HA ASP 35 HA ASP 35 1.185 15.042 -7.650 278 HB2 ASP 35 2HB ASP 35 2.627 16.345 -6.126 279 HB3 ASP 35 3HB ASP 35 3.496 14.889 -5.651 280 H THR 36 H THR 36 1.960 12.288 -5.621 281 HA THR 36 HA THR 36 3.593 11.016 -7.678 282 HB THR 36 HB THR 36 3.796 9.167 -5.929 283 HG1 THR 36 HG1 THR 36 3.226 9.896 -3.761 284 HG21 THR 36 1HG2 THR 36 4.736 11.944 -5.115 285 HG22 THR 36 2HG2 THR 36 5.579 10.843 -6.206 286 HG23 THR 36 3HG2 THR 36 5.384 10.416 -4.507 287 H LYS 37 H LYS 37 1.132 9.448 -5.613 288 HA LYS 37 HA LYS 37 -0.367 7.829 -5.993 289 HB2 LYS 37 2HB LYS 37 -1.451 9.893 -7.138 290 HB3 LYS 37 3HB LYS 37 -1.029 9.131 -8.659 291 HG2 LYS 37 2HG LYS 37 -2.772 7.794 -6.554 292 HG3 LYS 37 3HG LYS 37 -3.429 8.804 -7.837 293 HD2 LYS 37 2HD LYS 37 -1.880 6.208 -8.237 294 HD3 LYS 37 3HD LYS 37 -3.628 6.408 -8.381 295 HE2 LYS 37 2HE LYS 37 -3.339 7.907 -10.293 296 HE3 LYS 37 3HE LYS 37 -1.584 7.838 -10.116 297 HZ1 LYS 37 1HZ LYS 37 -2.259 6.375 -11.852 298 HZ2 LYS 37 2HZ LYS 37 -3.380 5.602 -10.855 299 HZ3 LYS 37 3HZ LYS 37 -1.729 5.437 -10.551 300 H TYR 38 H TYR 38 0.894 6.068 -6.121 301 HA TYR 38 HA TYR 38 1.572 4.916 -8.756 302 HB2 TYR 38 2HB TYR 38 3.725 4.022 -7.654 303 HB3 TYR 38 3HB TYR 38 3.706 5.733 -8.043 304 HD1 TYR 38 HD1 TYR 38 3.794 3.283 -5.299 305 HD2 TYR 38 HD2 TYR 38 3.512 7.426 -6.262 306 HE1 TYR 38 HE1 TYR 38 4.289 3.850 -2.964 307 HE2 TYR 38 HE2 TYR 38 4.028 8.000 -3.942 308 HH TYR 38 HH TYR 38 5.257 5.818 -1.736 309 H THR 39 H THR 39 1.854 2.558 -8.655 310 HA THR 39 HA THR 39 0.253 1.321 -6.496 311 HB THR 39 HB THR 39 -0.058 0.605 -9.449 312 HG1 THR 39 HG1 THR 39 -1.254 2.654 -7.935 313 HG21 THR 39 1HG2 THR 39 -1.890 0.175 -7.072 314 HG22 THR 39 2HG2 THR 39 -0.846 -1.059 -7.774 315 HG23 THR 39 3HG2 THR 39 -2.179 -0.382 -8.717 316 H LEU 40 H LEU 40 1.451 -0.250 -5.558 317 HA LEU 40 HA LEU 40 3.602 -1.641 -7.017 318 HB2 LEU 40 2HB LEU 40 3.066 -1.176 -4.072 319 HB3 LEU 40 3HB LEU 40 4.074 -2.522 -4.575 320 HG LEU 40 HG LEU 40 5.467 -0.712 -5.851 321 HD11 LEU 40 1HD1 LEU 40 3.942 1.153 -5.614 322 HD12 LEU 40 2HD1 LEU 40 5.480 1.511 -4.827 323 HD13 LEU 40 3HD1 LEU 40 4.073 1.073 -3.855 324 HD21 LEU 40 1HD2 LEU 40 6.324 -2.010 -3.975 325 HD22 LEU 40 2HD2 LEU 40 5.565 -0.900 -2.832 326 HD23 LEU 40 3HD2 LEU 40 6.871 -0.337 -3.878 327 H CYS 41 H CYS 41 2.783 -3.371 -8.029 328 HA CYS 41 HA CYS 41 0.709 -5.045 -6.819 329 HB2 CYS 41 2HB CYS 41 2.006 -5.112 -9.564 330 HB3 CYS 41 3HB CYS 41 0.685 -6.159 -9.042 Start of MODEL 9 1 H1 SER 1 1H SER 1 -2.511 -16.442 0.122 2 H2 SER 1 2H SER 1 -1.018 -16.827 0.808 3 H3 SER 1 3H SER 1 -1.367 -17.305 -0.775 4 HA SER 1 HA SER 1 0.114 -15.444 -0.759 5 HB2 SER 1 2HB SER 1 -2.694 -14.868 -1.779 6 HB3 SER 1 3HB SER 1 -1.251 -13.975 -2.271 7 HG SER 1 HG SER 1 -0.427 -15.816 -3.198 8 H GLN 2 H GLN 2 0.805 -14.307 0.969 9 HA GLN 2 HA GLN 2 -0.915 -12.239 2.216 10 HB2 GLN 2 2HB GLN 2 -0.191 -13.978 3.844 11 HB3 GLN 2 3HB GLN 2 1.488 -13.720 3.400 12 HG2 GLN 2 2HG GLN 2 1.324 -11.388 4.298 13 HG3 GLN 2 3HG GLN 2 -0.327 -11.729 4.809 14 HE21 GLN 2 1HE2 GLN 2 0.317 -11.209 6.931 15 HE22 GLN 2 2HE2 GLN 2 1.172 -12.351 7.903 16 H GLU 3 H GLU 3 1.669 -12.761 0.089 17 HA GLU 3 HA GLU 3 3.632 -10.894 0.786 18 HB2 GLU 3 2HB GLU 3 4.454 -11.072 -1.492 19 HB3 GLU 3 3HB GLU 3 3.908 -12.661 -0.970 20 HG2 GLU 3 2HG GLU 3 2.366 -10.778 -2.796 21 HG3 GLU 3 3HG GLU 3 3.327 -12.149 -3.336 22 H THR 4 H THR 4 0.619 -10.394 -0.963 23 HA THR 4 HA THR 4 1.088 -7.654 -1.666 24 HB THR 4 HB THR 4 -0.391 -8.930 -3.071 25 HG1 THR 4 HG1 THR 4 -0.933 -6.626 -2.343 26 HG21 THR 4 1HG2 THR 4 -2.154 -9.389 -0.631 27 HG22 THR 4 2HG2 THR 4 -1.206 -10.612 -1.481 28 HG23 THR 4 3HG2 THR 4 -2.569 -9.837 -2.290 29 H ARG 5 H ARG 5 -0.319 -9.317 1.106 30 HA ARG 5 HA ARG 5 -1.620 -6.988 2.233 31 HB2 ARG 5 2HB ARG 5 -0.913 -9.454 3.860 32 HB3 ARG 5 3HB ARG 5 -2.241 -8.313 4.085 33 HG2 ARG 5 2HG ARG 5 -3.406 -9.228 2.146 34 HG3 ARG 5 3HG ARG 5 -2.045 -10.306 1.802 35 HD2 ARG 5 2HD ARG 5 -2.383 -11.329 4.083 36 HD3 ARG 5 3HD ARG 5 -3.848 -10.360 4.247 37 HE ARG 5 HE ARG 5 -4.370 -11.667 1.990 38 HH11 ARG 5 1HH1 ARG 5 -3.123 -12.892 5.055 39 HH12 ARG 5 2HH1 ARG 5 -3.825 -14.463 4.850 40 HH21 ARG 5 1HH2 ARG 5 -5.320 -13.716 1.779 41 HH22 ARG 5 2HH2 ARG 5 -5.071 -14.922 2.988 42 H LYS 6 H LYS 6 1.513 -8.613 2.541 43 HA LYS 6 HA LYS 6 2.431 -7.123 4.815 44 HB2 LYS 6 2HB LYS 6 4.421 -8.367 4.685 45 HB3 LYS 6 3HB LYS 6 3.308 -9.467 3.906 46 HG2 LYS 6 2HG LYS 6 5.179 -9.602 2.512 47 HG3 LYS 6 3HG LYS 6 4.184 -8.416 1.672 48 HD2 LYS 6 2HD LYS 6 5.551 -6.588 2.806 49 HD3 LYS 6 3HD LYS 6 6.613 -7.846 3.431 50 HE2 LYS 6 2HE LYS 6 6.085 -7.479 0.471 51 HE3 LYS 6 3HE LYS 6 7.376 -6.627 1.317 52 HZ1 LYS 6 1HZ LYS 6 8.114 -8.691 0.229 53 HZ2 LYS 6 2HZ LYS 6 7.108 -9.582 1.252 54 HZ3 LYS 6 3HZ LYS 6 8.390 -8.690 1.899 55 H LYS 7 H LYS 7 2.466 -6.800 1.322 56 HA LYS 7 HA LYS 7 4.236 -4.656 0.952 57 HB2 LYS 7 2HB LYS 7 3.288 -6.012 -0.889 58 HB3 LYS 7 3HB LYS 7 1.690 -5.345 -0.571 59 HG2 LYS 7 2HG LYS 7 2.614 -3.063 -1.133 60 HG3 LYS 7 3HG LYS 7 4.118 -3.853 -1.617 61 HD2 LYS 7 2HD LYS 7 1.370 -4.265 -2.851 62 HD3 LYS 7 3HD LYS 7 2.722 -3.384 -3.561 63 HE2 LYS 7 2HE LYS 7 2.623 -6.377 -3.024 64 HE3 LYS 7 3HE LYS 7 2.511 -5.577 -4.593 65 HZ1 LYS 7 1HZ LYS 7 4.772 -4.723 -4.247 66 HZ2 LYS 7 2HZ LYS 7 4.717 -6.413 -4.256 67 HZ3 LYS 7 3HZ LYS 7 4.868 -5.588 -2.793 68 H CYS 8 H CYS 8 0.787 -4.743 1.840 69 HA CYS 8 HA CYS 8 0.146 -2.045 1.920 70 HB2 CYS 8 2HB CYS 8 -1.550 -3.758 2.339 71 HB3 CYS 8 3HB CYS 8 -0.728 -4.268 3.808 72 H THR 9 H THR 9 1.511 -4.067 4.525 73 HA THR 9 HA THR 9 1.865 -2.120 6.502 74 HB THR 9 HB THR 9 3.435 -4.704 6.033 75 HG1 THR 9 HG1 THR 9 0.974 -4.113 7.309 76 HG21 THR 9 1HG2 THR 9 3.853 -4.686 8.470 77 HG22 THR 9 2HG2 THR 9 3.053 -3.120 8.604 78 HG23 THR 9 3HG2 THR 9 4.567 -3.263 7.708 79 H GLU 10 H GLU 10 3.979 -3.226 3.907 80 HA GLU 10 HA GLU 10 6.389 -1.948 4.645 81 HB2 GLU 10 2HB GLU 10 6.080 -3.896 2.987 82 HB3 GLU 10 3HB GLU 10 5.506 -2.711 1.822 83 HG2 GLU 10 2HG GLU 10 7.808 -3.135 1.319 84 HG3 GLU 10 3HG GLU 10 7.719 -1.522 2.031 85 H MET 11 H MET 11 3.649 -0.977 2.626 86 HA MET 11 HA MET 11 4.840 1.491 1.708 87 HB2 MET 11 2HB MET 11 1.977 0.479 1.479 88 HB3 MET 11 3HB MET 11 2.588 1.935 0.707 89 HG2 MET 11 2HG MET 11 3.511 -0.887 0.121 90 HG3 MET 11 3HG MET 11 2.397 0.050 -0.862 91 HE1 MET 11 1HE MET 11 6.974 0.220 -0.939 92 HE2 MET 11 2HE MET 11 5.940 -1.156 -0.548 93 HE3 MET 11 3HE MET 11 6.147 0.151 0.618 94 H LYS 12 H LYS 12 2.647 0.491 4.299 95 HA LYS 12 HA LYS 12 1.637 3.057 5.001 96 HB2 LYS 12 2HB LYS 12 1.828 0.451 6.542 97 HB3 LYS 12 3HB LYS 12 1.145 1.893 7.276 98 HG2 LYS 12 2HG LYS 12 0.082 0.616 4.731 99 HG3 LYS 12 3HG LYS 12 -0.543 0.273 6.348 100 HD2 LYS 12 2HD LYS 12 -0.572 2.983 4.946 101 HD3 LYS 12 3HD LYS 12 -1.954 1.908 5.160 102 HE2 LYS 12 2HE LYS 12 -1.778 2.182 7.611 103 HE3 LYS 12 3HE LYS 12 -0.409 3.272 7.388 104 HZ1 LYS 12 1HZ LYS 12 -2.447 4.489 7.723 105 HZ2 LYS 12 2HZ LYS 12 -3.172 3.723 6.403 106 HZ3 LYS 12 3HZ LYS 12 -1.865 4.763 6.161 107 H LYS 13 H LYS 13 4.377 1.144 6.214 108 HA LYS 13 HA LYS 13 4.957 2.775 8.449 109 HB2 LYS 13 2HB LYS 13 6.989 1.458 8.689 110 HB3 LYS 13 3HB LYS 13 5.641 0.403 8.276 111 HG2 LYS 13 2HG LYS 13 6.430 0.329 5.925 112 HG3 LYS 13 3HG LYS 13 7.789 1.369 6.351 113 HD2 LYS 13 2HD LYS 13 8.568 -0.927 6.258 114 HD3 LYS 13 3HD LYS 13 8.594 -0.398 7.941 115 HE2 LYS 13 2HE LYS 13 6.461 -1.606 8.335 116 HE3 LYS 13 3HE LYS 13 6.445 -2.116 6.646 117 HZ1 LYS 13 1HZ LYS 13 8.521 -2.830 8.641 118 HZ2 LYS 13 2HZ LYS 13 8.490 -3.329 7.027 119 HZ3 LYS 13 3HZ LYS 13 7.286 -3.847 8.095 120 H LYS 14 H LYS 14 5.855 3.077 5.106 121 HA LYS 14 HA LYS 14 7.960 5.070 5.663 122 HB2 LYS 14 2HB LYS 14 8.377 3.118 4.077 123 HB3 LYS 14 3HB LYS 14 7.171 3.803 2.999 124 HG2 LYS 14 2HG LYS 14 8.537 5.784 2.637 125 HG3 LYS 14 3HG LYS 14 9.697 5.253 3.861 126 HD2 LYS 14 2HD LYS 14 10.208 3.249 2.439 127 HD3 LYS 14 3HD LYS 14 9.123 3.889 1.201 128 HE2 LYS 14 2HE LYS 14 11.621 5.291 2.220 129 HE3 LYS 14 3HE LYS 14 11.520 4.367 0.723 130 HZ1 LYS 14 1HZ LYS 14 11.297 6.722 0.318 131 HZ2 LYS 14 2HZ LYS 14 9.964 6.820 1.348 132 HZ3 LYS 14 3HZ LYS 14 9.860 5.925 -0.086 133 H PHE 15 H PHE 15 5.062 4.551 3.721 134 HA PHE 15 HA PHE 15 4.830 7.387 3.023 135 HB2 PHE 15 2HB PHE 15 3.178 5.043 1.993 136 HB3 PHE 15 3HB PHE 15 3.292 6.648 1.280 137 HD1 PHE 15 HD1 PHE 15 4.144 3.482 0.516 138 HD2 PHE 15 HD2 PHE 15 6.142 7.218 1.120 139 HE1 PHE 15 HE1 PHE 15 6.002 2.721 -0.887 140 HE2 PHE 15 HE2 PHE 15 7.994 6.442 -0.291 141 HZ PHE 15 HZ PHE 15 7.925 4.194 -1.297 142 H LYS 16 H LYS 16 4.405 7.068 5.615 143 HA LYS 16 HA LYS 16 1.817 6.497 6.571 144 HB2 LYS 16 2HB LYS 16 2.510 7.795 8.568 145 HB3 LYS 16 3HB LYS 16 3.773 6.682 8.053 146 HG2 LYS 16 2HG LYS 16 5.053 8.502 7.065 147 HG3 LYS 16 3HG LYS 16 3.750 9.651 7.390 148 HD2 LYS 16 2HD LYS 16 4.072 9.228 9.854 149 HD3 LYS 16 3HD LYS 16 5.455 8.202 9.460 150 HE2 LYS 16 2HE LYS 16 6.598 10.129 8.439 151 HE3 LYS 16 3HE LYS 16 5.204 11.154 8.787 152 HZ1 LYS 16 1HZ LYS 16 6.923 9.807 10.801 153 HZ2 LYS 16 2HZ LYS 16 5.572 10.758 11.148 154 HZ3 LYS 16 3HZ LYS 16 6.935 11.457 10.428 155 H ASN 17 H ASN 17 3.174 9.285 5.002 156 HA ASN 17 HA ASN 17 1.101 11.187 5.677 157 HB2 ASN 17 2HB ASN 17 3.376 11.343 3.638 158 HB3 ASN 17 3HB ASN 17 2.390 12.705 4.173 159 HD21 ASN 17 1HD2 ASN 17 5.301 12.115 4.371 160 HD22 ASN 17 2HD2 ASN 17 5.690 12.356 6.033 161 H CYS 18 H CYS 18 1.680 8.827 3.250 162 HA CYS 18 HA CYS 18 -0.125 9.936 1.254 163 HB2 CYS 18 2HB CYS 18 1.521 7.381 1.288 164 HB3 CYS 18 3HB CYS 18 0.584 7.965 -0.087 165 H GLU 19 H GLU 19 -1.855 8.636 0.360 166 HA GLU 19 HA GLU 19 -3.403 7.194 2.393 167 HB2 GLU 19 2HB GLU 19 -4.435 9.056 0.999 168 HB3 GLU 19 3HB GLU 19 -4.228 8.041 -0.413 169 HG2 GLU 19 2HG GLU 19 -5.739 6.347 0.589 170 HG3 GLU 19 3HG GLU 19 -5.981 7.411 1.980 171 H VAL 20 H VAL 20 -2.217 5.289 2.459 172 HA VAL 20 HA VAL 20 -1.598 3.724 0.072 173 HB VAL 20 HB VAL 20 -1.260 3.159 3.064 174 HG11 VAL 20 1HG1 VAL 20 0.137 1.208 2.445 175 HG12 VAL 20 2HG1 VAL 20 -0.253 1.469 0.743 176 HG13 VAL 20 3HG1 VAL 20 -1.523 1.010 1.876 177 HG21 VAL 20 1HG2 VAL 20 1.146 3.514 2.652 178 HG22 VAL 20 2HG2 VAL 20 0.209 4.946 2.213 179 HG23 VAL 20 3HG2 VAL 20 0.808 3.863 0.954 180 H ARG 21 H ARG 21 -3.328 2.781 -0.856 181 HA ARG 21 HA ARG 21 -5.598 1.709 0.664 182 HB2 ARG 21 2HB ARG 21 -5.287 2.188 -2.343 183 HB3 ARG 21 3HB ARG 21 -6.751 1.608 -1.548 184 HG2 ARG 21 2HG ARG 21 -6.876 3.760 -0.279 185 HG3 ARG 21 3HG ARG 21 -5.466 4.341 -1.178 186 HD2 ARG 21 2HD ARG 21 -6.721 4.119 -3.289 187 HD3 ARG 21 3HD ARG 21 -8.120 3.500 -2.400 188 HE ARG 21 HE ARG 21 -7.112 6.160 -1.696 189 HH11 ARG 21 1HH1 ARG 21 -9.592 4.297 -3.364 190 HH12 ARG 21 2HH1 ARG 21 -10.697 5.628 -3.447 191 HH21 ARG 21 1HH2 ARG 21 -8.617 7.885 -1.792 192 HH22 ARG 21 2HH2 ARG 21 -10.147 7.647 -2.564 193 H CYS 22 H CYS 22 -5.238 -0.310 1.301 194 HA CYS 22 HA CYS 22 -3.508 -2.153 -0.181 195 HB2 CYS 22 2HB CYS 22 -4.771 -2.509 2.563 196 HB3 CYS 22 3HB CYS 22 -3.376 -3.361 1.897 197 H ASP 23 H ASP 23 -4.170 -4.331 -0.676 198 HA ASP 23 HA ASP 23 -6.746 -5.372 -0.185 199 HB2 ASP 23 2HB ASP 23 -7.351 -3.575 -1.937 200 HB3 ASP 23 3HB ASP 23 -6.414 -4.506 -3.101 201 H GLU 24 H GLU 24 -6.685 -7.558 -0.506 202 HA GLU 24 HA GLU 24 -4.168 -8.681 -1.527 203 HB2 GLU 24 2HB GLU 24 -4.729 -10.678 -0.286 204 HB3 GLU 24 3HB GLU 24 -4.907 -9.281 0.764 205 HG2 GLU 24 2HG GLU 24 -7.261 -9.432 0.788 206 HG3 GLU 24 3HG GLU 24 -7.308 -10.463 -0.643 207 H SER 25 H SER 25 -7.601 -8.623 -2.247 208 HA SER 25 HA SER 25 -7.756 -11.012 -3.798 209 HB2 SER 25 2HB SER 25 -9.582 -8.574 -3.943 210 HB3 SER 25 3HB SER 25 -9.974 -10.227 -4.427 211 HG SER 25 HG SER 25 -9.588 -10.796 -2.183 212 H ASN 26 H ASN 26 -6.984 -7.689 -4.512 213 HA ASN 26 HA ASN 26 -6.833 -8.015 -7.408 214 HB2 ASN 26 2HB ASN 26 -7.725 -5.918 -6.261 215 HB3 ASN 26 3HB ASN 26 -6.091 -5.584 -5.707 216 HD21 ASN 26 1HD2 ASN 26 -4.560 -4.876 -7.221 217 HD22 ASN 26 2HD2 ASN 26 -5.005 -4.312 -8.788 218 H HIS 27 H HIS 27 -4.822 -8.370 -4.653 219 HA HIS 27 HA HIS 27 -2.662 -8.857 -4.253 220 HB2 HIS 27 2HB HIS 27 -2.711 -9.655 -7.190 221 HB3 HIS 27 3HB HIS 27 -1.326 -9.945 -6.141 222 HD1 HIS 27 HD1 HIS 27 -1.445 -11.907 -4.526 223 HD2 HIS 27 HD2 HIS 27 -5.012 -11.253 -6.563 224 HE1 HIS 27 HE1 HIS 27 -2.891 -13.898 -4.030 225 HE2 HIS 27 HE2 HIS 27 -5.072 -13.427 -5.186 226 H CYS 28 H CYS 28 -3.165 -6.217 -4.532 227 HA CYS 28 HA CYS 28 -0.670 -5.052 -5.292 228 HB2 CYS 28 2HB CYS 28 -1.744 -5.372 -7.527 229 HB3 CYS 28 3HB CYS 28 -3.076 -4.336 -7.025 230 H VAL 29 H VAL 29 -0.531 -2.815 -4.727 231 HA VAL 29 HA VAL 29 -2.660 -1.758 -2.949 232 HB VAL 29 HB VAL 29 0.357 -1.806 -2.424 233 HG11 VAL 29 1HG1 VAL 29 -0.113 -0.586 -0.311 234 HG12 VAL 29 2HG1 VAL 29 -1.803 -0.419 -0.793 235 HG13 VAL 29 3HG1 VAL 29 -0.537 0.377 -1.731 236 HG21 VAL 29 1HG2 VAL 29 -1.919 -3.053 -0.827 237 HG22 VAL 29 2HG2 VAL 29 -0.207 -3.105 -0.396 238 HG23 VAL 29 3HG2 VAL 29 -0.776 -3.932 -1.847 239 H GLU 30 H GLU 30 -3.373 0.116 -3.819 240 HA GLU 30 HA GLU 30 -1.675 1.834 -5.477 241 HB2 GLU 30 2HB GLU 30 -3.977 1.543 -6.242 242 HB3 GLU 30 3HB GLU 30 -4.608 2.053 -4.676 243 HG2 GLU 30 2HG GLU 30 -3.568 4.320 -5.062 244 HG3 GLU 30 3HG GLU 30 -3.103 3.780 -6.673 245 H VAL 31 H VAL 31 -0.350 3.183 -4.394 246 HA VAL 31 HA VAL 31 -1.147 4.399 -1.836 247 HB VAL 31 HB VAL 31 1.511 4.598 -3.309 248 HG11 VAL 31 1HG1 VAL 31 2.430 5.293 -1.121 249 HG12 VAL 31 2HG1 VAL 31 0.811 5.220 -0.420 250 HG13 VAL 31 3HG1 VAL 31 1.171 6.397 -1.688 251 HG21 VAL 31 1HG2 VAL 31 2.377 2.861 -1.791 252 HG22 VAL 31 2HG2 VAL 31 1.071 2.246 -2.808 253 HG23 VAL 31 3HG2 VAL 31 0.759 2.642 -1.111 254 H ARG 32 H ARG 32 -2.346 6.147 -2.167 255 HA ARG 32 HA ARG 32 -1.841 8.032 -4.379 256 HB2 ARG 32 2HB ARG 32 -4.090 6.995 -4.301 257 HB3 ARG 32 3HB ARG 32 -4.316 7.572 -2.654 258 HG2 ARG 32 2HG ARG 32 -4.346 9.897 -3.430 259 HG3 ARG 32 3HG ARG 32 -3.980 9.375 -5.068 260 HD2 ARG 32 2HD ARG 32 -6.503 8.756 -3.505 261 HD3 ARG 32 3HD ARG 32 -6.361 9.876 -4.865 262 HE ARG 32 HE ARG 32 -5.499 7.323 -5.692 263 HH11 ARG 32 1HH1 ARG 32 -8.499 8.914 -4.769 264 HH12 ARG 32 2HH1 ARG 32 -9.481 7.871 -5.740 265 HH21 ARG 32 1HH2 ARG 32 -6.813 5.959 -6.952 266 HH22 ARG 32 2HH2 ARG 32 -8.531 6.201 -6.974 267 H CYS 33 H CYS 33 -0.151 9.232 -3.387 268 HA CYS 33 HA CYS 33 -0.332 10.240 -0.720 269 HB2 CYS 33 2HB CYS 33 1.427 11.209 -2.993 270 HB3 CYS 33 3HB CYS 33 1.643 11.586 -1.286 271 H SER 34 H SER 34 -0.446 12.026 -3.841 272 HA SER 34 HA SER 34 -2.763 13.549 -3.164 273 HB2 SER 34 2HB SER 34 -1.099 14.744 -1.729 274 HB3 SER 34 3HB SER 34 -0.105 15.063 -3.153 275 HG SER 34 HG SER 34 -2.767 15.959 -2.729 276 H ASP 35 H ASP 35 0.216 14.060 -5.067 277 HA ASP 35 HA ASP 35 -1.368 14.121 -7.579 278 HB2 ASP 35 2HB ASP 35 -0.463 16.356 -6.940 279 HB3 ASP 35 3HB ASP 35 1.172 15.696 -6.930 280 H THR 36 H THR 36 1.275 12.638 -5.844 281 HA THR 36 HA THR 36 2.712 11.589 -8.086 282 HB THR 36 HB THR 36 3.632 9.900 -6.429 283 HG1 THR 36 HG1 THR 36 3.049 10.303 -4.206 284 HG21 THR 36 1HG2 THR 36 4.870 11.538 -5.044 285 HG22 THR 36 2HG2 THR 36 3.732 12.804 -5.517 286 HG23 THR 36 3HG2 THR 36 4.778 12.058 -6.728 287 H LYS 37 H LYS 37 0.620 9.821 -5.777 288 HA LYS 37 HA LYS 37 -0.565 7.914 -5.885 289 HB2 LYS 37 2HB LYS 37 -2.154 9.576 -6.855 290 HB3 LYS 37 3HB LYS 37 -1.622 9.110 -8.467 291 HG2 LYS 37 2HG LYS 37 -2.401 6.750 -7.966 292 HG3 LYS 37 3HG LYS 37 -3.067 7.347 -6.450 293 HD2 LYS 37 2HD LYS 37 -4.879 7.215 -8.013 294 HD3 LYS 37 3HD LYS 37 -4.509 8.926 -7.794 295 HE2 LYS 37 2HE LYS 37 -3.403 7.310 -10.108 296 HE3 LYS 37 3HE LYS 37 -4.952 8.141 -10.196 297 HZ1 LYS 37 1HZ LYS 37 -3.733 10.227 -9.712 298 HZ2 LYS 37 2HZ LYS 37 -3.291 9.504 -11.175 299 HZ3 LYS 37 3HZ LYS 37 -2.276 9.372 -9.833 300 H TYR 38 H TYR 38 1.005 6.373 -6.094 301 HA TYR 38 HA TYR 38 1.404 5.134 -8.764 302 HB2 TYR 38 2HB TYR 38 3.567 4.187 -7.705 303 HB3 TYR 38 3HB TYR 38 3.561 5.888 -8.106 304 HD1 TYR 38 HD1 TYR 38 3.411 3.492 -5.290 305 HD2 TYR 38 HD2 TYR 38 3.785 7.597 -6.409 306 HE1 TYR 38 HE1 TYR 38 4.042 4.037 -2.999 307 HE2 TYR 38 HE2 TYR 38 4.440 8.155 -4.107 308 HH TYR 38 HH TYR 38 5.295 5.773 -1.854 309 H THR 39 H THR 39 1.516 2.794 -8.772 310 HA THR 39 HA THR 39 0.044 1.492 -6.556 311 HB THR 39 HB THR 39 -0.532 1.130 -9.542 312 HG1 THR 39 HG1 THR 39 -1.513 2.863 -7.619 313 HG21 THR 39 1HG2 THR 39 -2.523 -0.133 -8.762 314 HG22 THR 39 2HG2 THR 39 -1.980 0.054 -7.093 315 HG23 THR 39 3HG2 THR 39 -1.025 -0.901 -8.230 316 H LEU 40 H LEU 40 1.376 -0.028 -5.762 317 HA LEU 40 HA LEU 40 3.403 -1.351 -7.429 318 HB2 LEU 40 2HB LEU 40 3.048 -1.006 -4.434 319 HB3 LEU 40 3HB LEU 40 4.059 -2.307 -5.047 320 HG LEU 40 HG LEU 40 5.437 -0.539 -6.262 321 HD11 LEU 40 1HD1 LEU 40 3.854 1.381 -4.544 322 HD12 LEU 40 2HD1 LEU 40 3.816 1.276 -6.305 323 HD13 LEU 40 3HD1 LEU 40 5.293 1.783 -5.487 324 HD21 LEU 40 1HD2 LEU 40 5.338 -0.386 -3.237 325 HD22 LEU 40 2HD2 LEU 40 6.686 0.132 -4.254 326 HD23 LEU 40 3HD2 LEU 40 6.229 -1.568 -4.199 327 H CYS 41 H CYS 41 2.813 -3.201 -8.351 328 HA CYS 41 HA CYS 41 0.827 -4.975 -7.031 329 HB2 CYS 41 2HB CYS 41 1.447 -4.681 -10.000 330 HB3 CYS 41 3HB CYS 41 0.286 -5.808 -9.309 Start of MODEL 10 1 H1 SER 1 1H SER 1 -1.296 -16.483 2.808 2 H2 SER 1 2H SER 1 0.387 -16.647 2.810 3 H3 SER 1 3H SER 1 -0.545 -17.482 1.676 4 HA SER 1 HA SER 1 0.551 -15.579 0.695 5 HB2 SER 1 2HB SER 1 -2.484 -15.305 0.892 6 HB3 SER 1 3HB SER 1 -1.472 -14.625 -0.385 7 HG SER 1 HG SER 1 -0.891 -16.760 -0.969 8 H GLN 2 H GLN 2 1.592 -13.871 1.414 9 HA GLN 2 HA GLN 2 0.248 -11.581 2.526 10 HB2 GLN 2 2HB GLN 2 0.787 -12.975 4.573 11 HB3 GLN 2 3HB GLN 2 2.495 -12.876 4.147 12 HG2 GLN 2 2HG GLN 2 2.311 -10.363 4.322 13 HG3 GLN 2 3HG GLN 2 0.669 -10.578 4.926 14 HE21 GLN 2 1HE2 GLN 2 1.139 -9.638 6.908 15 HE22 GLN 2 2HE2 GLN 2 2.116 -10.393 8.117 16 H GLU 3 H GLU 3 0.897 -10.837 0.518 17 HA GLU 3 HA GLU 3 3.763 -10.332 0.096 18 HB2 GLU 3 2HB GLU 3 3.560 -10.873 -2.296 19 HB3 GLU 3 3HB GLU 3 3.192 -12.259 -1.285 20 HG2 GLU 3 2HG GLU 3 1.147 -10.548 -2.723 21 HG3 GLU 3 3HG GLU 3 1.738 -12.102 -3.275 22 H THR 4 H THR 4 0.558 -9.518 -1.330 23 HA THR 4 HA THR 4 1.234 -6.709 -1.651 24 HB THR 4 HB THR 4 -0.280 -7.695 -3.273 25 HG1 THR 4 HG1 THR 4 -2.177 -6.271 -2.878 26 HG21 THR 4 1HG2 THR 4 -1.263 -9.490 -1.891 27 HG22 THR 4 2HG2 THR 4 -2.514 -8.540 -2.699 28 HG23 THR 4 3HG2 THR 4 -2.186 -8.286 -0.985 29 H ARG 5 H ARG 5 -0.180 -8.782 0.692 30 HA ARG 5 HA ARG 5 -1.601 -6.867 2.266 31 HB2 ARG 5 2HB ARG 5 -0.542 -9.579 3.172 32 HB3 ARG 5 3HB ARG 5 -1.929 -8.695 3.806 33 HG2 ARG 5 2HG ARG 5 -3.122 -9.045 1.666 34 HG3 ARG 5 3HG ARG 5 -1.730 -9.932 1.043 35 HD2 ARG 5 2HD ARG 5 -2.049 -11.556 2.980 36 HD3 ARG 5 3HD ARG 5 -3.588 -10.740 3.299 37 HE ARG 5 HE ARG 5 -3.332 -11.582 0.567 38 HH11 ARG 5 1HH1 ARG 5 -4.189 -12.733 3.779 39 HH12 ARG 5 2HH1 ARG 5 -5.169 -14.033 3.183 40 HH21 ARG 5 1HH2 ARG 5 -4.594 -13.314 -0.210 41 HH22 ARG 5 2HH2 ARG 5 -5.399 -14.360 0.920 42 H LYS 6 H LYS 6 1.524 -8.575 2.614 43 HA LYS 6 HA LYS 6 2.593 -7.145 4.802 44 HB2 LYS 6 2HB LYS 6 3.745 -9.145 4.321 45 HB3 LYS 6 3HB LYS 6 3.769 -8.860 2.593 46 HG2 LYS 6 2HG LYS 6 5.405 -6.991 4.277 47 HG3 LYS 6 3HG LYS 6 5.977 -8.655 4.166 48 HD2 LYS 6 2HD LYS 6 6.326 -8.514 1.825 49 HD3 LYS 6 3HD LYS 6 5.284 -7.101 1.654 50 HE2 LYS 6 2HE LYS 6 7.673 -6.542 1.374 51 HE3 LYS 6 3HE LYS 6 6.969 -5.695 2.752 52 HZ1 LYS 6 1HZ LYS 6 8.579 -8.179 2.913 53 HZ2 LYS 6 2HZ LYS 6 7.972 -7.300 4.217 54 HZ3 LYS 6 3HZ LYS 6 9.162 -6.627 3.222 55 H LYS 7 H LYS 7 2.728 -6.625 1.320 56 HA LYS 7 HA LYS 7 4.614 -4.591 1.097 57 HB2 LYS 7 2HB LYS 7 3.576 -5.953 -0.737 58 HB3 LYS 7 3HB LYS 7 2.109 -4.998 -0.585 59 HG2 LYS 7 2HG LYS 7 3.457 -2.973 -1.218 60 HG3 LYS 7 3HG LYS 7 4.835 -4.043 -1.509 61 HD2 LYS 7 2HD LYS 7 2.157 -4.035 -2.952 62 HD3 LYS 7 3HD LYS 7 3.724 -3.603 -3.626 63 HE2 LYS 7 2HE LYS 7 2.930 -6.386 -2.709 64 HE3 LYS 7 3HE LYS 7 2.930 -5.827 -4.381 65 HZ1 LYS 7 1HZ LYS 7 4.925 -7.078 -3.852 66 HZ2 LYS 7 2HZ LYS 7 5.315 -5.994 -2.622 67 HZ3 LYS 7 3HZ LYS 7 5.303 -5.475 -4.232 68 H CYS 8 H CYS 8 1.101 -4.403 1.552 69 HA CYS 8 HA CYS 8 0.794 -1.605 1.406 70 HB2 CYS 8 2HB CYS 8 -1.089 -3.169 1.180 71 HB3 CYS 8 3HB CYS 8 -0.923 -3.644 2.870 72 H THR 9 H THR 9 1.312 -3.798 4.164 73 HA THR 9 HA THR 9 1.118 -1.933 6.263 74 HB THR 9 HB THR 9 2.867 -4.438 6.217 75 HG1 THR 9 HG1 THR 9 0.075 -4.095 6.344 76 HG21 THR 9 1HG2 THR 9 2.326 -4.572 8.628 77 HG22 THR 9 2HG2 THR 9 1.415 -3.064 8.514 78 HG23 THR 9 3HG2 THR 9 3.161 -3.061 8.253 79 H GLU 10 H GLU 10 3.892 -3.035 4.305 80 HA GLU 10 HA GLU 10 5.945 -1.555 5.586 81 HB2 GLU 10 2HB GLU 10 6.508 -3.427 4.111 82 HB3 GLU 10 3HB GLU 10 5.737 -2.632 2.738 83 HG2 GLU 10 2HG GLU 10 7.457 -0.774 2.990 84 HG3 GLU 10 3HG GLU 10 8.273 -1.800 4.168 85 H MET 11 H MET 11 3.814 -0.873 2.840 86 HA MET 11 HA MET 11 5.036 1.566 2.039 87 HB2 MET 11 2HB MET 11 2.296 0.398 1.433 88 HB3 MET 11 3HB MET 11 2.865 1.906 0.740 89 HG2 MET 11 2HG MET 11 4.191 -0.778 0.301 90 HG3 MET 11 3HG MET 11 3.020 -0.043 -0.786 91 HE1 MET 11 1HE MET 11 6.698 -0.528 -0.065 92 HE2 MET 11 2HE MET 11 6.486 0.840 1.032 93 HE3 MET 11 3HE MET 11 7.452 1.025 -0.428 94 H LYS 12 H LYS 12 2.509 0.778 4.387 95 HA LYS 12 HA LYS 12 1.595 3.485 4.752 96 HB2 LYS 12 2HB LYS 12 1.279 0.976 6.457 97 HB3 LYS 12 3HB LYS 12 0.611 2.535 6.941 98 HG2 LYS 12 2HG LYS 12 -0.751 2.597 4.900 99 HG3 LYS 12 3HG LYS 12 -0.072 1.056 4.390 100 HD2 LYS 12 2HD LYS 12 -1.110 -0.061 6.318 101 HD3 LYS 12 3HD LYS 12 -1.749 1.484 6.893 102 HE2 LYS 12 2HE LYS 12 -3.149 1.689 4.910 103 HE3 LYS 12 3HE LYS 12 -2.433 0.239 4.208 104 HZ1 LYS 12 1HZ LYS 12 -3.352 -1.003 6.129 105 HZ2 LYS 12 2HZ LYS 12 -4.521 -0.334 5.118 106 HZ3 LYS 12 3HZ LYS 12 -4.178 0.395 6.600 107 H LYS 13 H LYS 13 3.936 1.391 6.402 108 HA LYS 13 HA LYS 13 4.672 3.231 8.450 109 HB2 LYS 13 2HB LYS 13 6.178 0.851 7.278 110 HB3 LYS 13 3HB LYS 13 6.687 1.729 8.720 111 HG2 LYS 13 2HG LYS 13 4.617 1.082 9.878 112 HG3 LYS 13 3HG LYS 13 4.057 0.236 8.429 113 HD2 LYS 13 2HD LYS 13 6.000 -1.317 8.611 114 HD3 LYS 13 3HD LYS 13 6.518 -0.479 10.076 115 HE2 LYS 13 2HE LYS 13 4.378 -1.118 11.171 116 HE3 LYS 13 3HE LYS 13 3.910 -1.992 9.711 117 HZ1 LYS 13 1HZ LYS 13 4.812 -3.484 11.353 118 HZ2 LYS 13 2HZ LYS 13 6.250 -2.605 11.438 119 HZ3 LYS 13 3HZ LYS 13 5.846 -3.428 10.017 120 H LYS 14 H LYS 14 5.864 2.641 5.189 121 HA LYS 14 HA LYS 14 8.155 4.389 5.356 122 HB2 LYS 14 2HB LYS 14 7.624 2.309 3.726 123 HB3 LYS 14 3HB LYS 14 6.901 3.545 2.709 124 HG2 LYS 14 2HG LYS 14 9.799 3.414 3.621 125 HG3 LYS 14 3HG LYS 14 9.189 3.041 2.008 126 HD2 LYS 14 2HD LYS 14 8.518 5.389 1.705 127 HD3 LYS 14 3HD LYS 14 9.059 5.766 3.342 128 HE2 LYS 14 2HE LYS 14 11.379 5.112 2.670 129 HE3 LYS 14 3HE LYS 14 10.799 4.899 1.016 130 HZ1 LYS 14 1HZ LYS 14 11.750 7.067 1.222 131 HZ2 LYS 14 2HZ LYS 14 10.822 7.421 2.585 132 HZ3 LYS 14 3HZ LYS 14 10.076 7.259 1.076 133 H PHE 15 H PHE 15 5.191 4.492 3.391 134 HA PHE 15 HA PHE 15 5.283 7.403 3.125 135 HB2 PHE 15 2HB PHE 15 3.379 5.354 1.898 136 HB3 PHE 15 3HB PHE 15 3.535 7.034 1.415 137 HD1 PHE 15 HD1 PHE 15 4.434 3.787 0.508 138 HD2 PHE 15 HD2 PHE 15 6.134 7.704 0.823 139 HE1 PHE 15 HE1 PHE 15 6.209 3.150 -1.069 140 HE2 PHE 15 HE2 PHE 15 7.897 7.050 -0.763 141 HZ PHE 15 HZ PHE 15 7.940 4.776 -1.708 142 H LYS 16 H LYS 16 4.936 7.549 5.438 143 HA LYS 16 HA LYS 16 2.341 6.883 6.574 144 HB2 LYS 16 2HB LYS 16 3.509 8.034 8.664 145 HB3 LYS 16 3HB LYS 16 3.963 6.422 8.150 146 HG2 LYS 16 2HG LYS 16 5.997 7.524 8.663 147 HG3 LYS 16 3HG LYS 16 5.914 7.448 6.905 148 HD2 LYS 16 2HD LYS 16 6.765 9.628 7.594 149 HD3 LYS 16 3HD LYS 16 5.178 9.823 6.848 150 HE2 LYS 16 2HE LYS 16 5.432 11.240 8.857 151 HE3 LYS 16 3HE LYS 16 4.143 10.056 9.065 152 HZ1 LYS 16 1HZ LYS 16 5.624 8.707 10.396 153 HZ2 LYS 16 2HZ LYS 16 5.558 10.270 11.026 154 HZ3 LYS 16 3HZ LYS 16 6.903 9.783 10.133 155 H ASN 17 H ASN 17 1.850 8.462 4.604 156 HA ASN 17 HA ASN 17 0.558 10.788 5.569 157 HB2 ASN 17 2HB ASN 17 1.830 12.509 4.272 158 HB3 ASN 17 3HB ASN 17 2.835 11.772 5.520 159 HD21 ASN 17 1HD2 ASN 17 4.451 10.240 4.859 160 HD22 ASN 17 2HD2 ASN 17 5.088 10.275 3.253 161 H CYS 18 H CYS 18 1.891 9.006 2.816 162 HA CYS 18 HA CYS 18 -0.136 9.765 0.914 163 HB2 CYS 18 2HB CYS 18 1.887 7.493 0.893 164 HB3 CYS 18 3HB CYS 18 0.870 7.936 -0.472 165 H GLU 19 H GLU 19 -1.947 8.588 0.315 166 HA GLU 19 HA GLU 19 -3.204 6.910 2.278 167 HB2 GLU 19 2HB GLU 19 -4.494 8.578 0.998 168 HB3 GLU 19 3HB GLU 19 -4.106 7.755 -0.502 169 HG2 GLU 19 2HG GLU 19 -5.373 5.757 0.299 170 HG3 GLU 19 3HG GLU 19 -5.837 6.659 1.743 171 H VAL 20 H VAL 20 -1.864 5.098 2.328 172 HA VAL 20 HA VAL 20 -1.483 3.374 0.007 173 HB VAL 20 HB VAL 20 -0.797 3.050 2.970 174 HG11 VAL 20 1HG1 VAL 20 -1.065 0.864 1.858 175 HG12 VAL 20 2HG1 VAL 20 0.619 1.168 2.283 176 HG13 VAL 20 3HG1 VAL 20 0.087 1.357 0.611 177 HG21 VAL 20 1HG2 VAL 20 0.404 4.901 1.865 178 HG22 VAL 20 2HG2 VAL 20 1.008 3.778 0.645 179 HG23 VAL 20 3HG2 VAL 20 1.490 3.590 2.330 180 H ARG 21 H ARG 21 -3.117 1.933 -0.571 181 HA ARG 21 HA ARG 21 -5.093 1.033 1.455 182 HB2 ARG 21 2HB ARG 21 -5.447 1.356 -1.568 183 HB3 ARG 21 3HB ARG 21 -6.649 0.655 -0.487 184 HG2 ARG 21 2HG ARG 21 -6.717 2.861 0.746 185 HG3 ARG 21 3HG ARG 21 -5.663 3.524 -0.504 186 HD2 ARG 21 2HD ARG 21 -7.381 3.023 -2.213 187 HD3 ARG 21 3HD ARG 21 -8.441 2.364 -0.966 188 HE ARG 21 HE ARG 21 -7.582 5.198 -1.110 189 HH11 ARG 21 1HH1 ARG 21 -10.105 2.835 -0.402 190 HH12 ARG 21 2HH1 ARG 21 -11.283 4.043 0.011 191 HH21 ARG 21 1HH2 ARG 21 -9.130 6.768 -0.565 192 HH22 ARG 21 2HH2 ARG 21 -10.730 6.276 -0.079 193 H CYS 22 H CYS 22 -5.074 -1.045 1.952 194 HA CYS 22 HA CYS 22 -3.350 -2.983 0.652 195 HB2 CYS 22 2HB CYS 22 -5.316 -3.439 2.942 196 HB3 CYS 22 3HB CYS 22 -3.894 -4.400 2.548 197 H ASP 23 H ASP 23 -4.047 -4.702 -0.701 198 HA ASP 23 HA ASP 23 -6.764 -5.653 -0.557 199 HB2 ASP 23 2HB ASP 23 -6.714 -3.569 -2.192 200 HB3 ASP 23 3HB ASP 23 -6.019 -4.706 -3.343 201 H GLU 24 H GLU 24 -6.693 -7.756 -0.743 202 HA GLU 24 HA GLU 24 -4.387 -9.175 -1.845 203 HB2 GLU 24 2HB GLU 24 -5.392 -11.166 -0.775 204 HB3 GLU 24 3HB GLU 24 -5.261 -9.830 0.366 205 HG2 GLU 24 2HG GLU 24 -7.655 -9.340 0.108 206 HG3 GLU 24 3HG GLU 24 -7.798 -10.619 -1.094 207 H SER 25 H SER 25 -7.736 -8.547 -2.662 208 HA SER 25 HA SER 25 -8.097 -10.740 -4.494 209 HB2 SER 25 2HB SER 25 -10.006 -9.674 -3.316 210 HB3 SER 25 3HB SER 25 -9.710 -8.164 -4.179 211 HG SER 25 HG SER 25 -10.495 -9.028 -5.988 212 H ASN 26 H ASN 26 -7.367 -7.318 -4.749 213 HA ASN 26 HA ASN 26 -7.077 -7.137 -7.589 214 HB2 ASN 26 2HB ASN 26 -7.613 -5.237 -5.963 215 HB3 ASN 26 3HB ASN 26 -5.951 -5.310 -5.402 216 HD21 ASN 26 1HD2 ASN 26 -7.328 -3.076 -6.521 217 HD22 ASN 26 2HD2 ASN 26 -6.465 -2.596 -7.941 218 H HIS 27 H HIS 27 -5.050 -7.977 -4.861 219 HA HIS 27 HA HIS 27 -2.946 -8.725 -4.554 220 HB2 HIS 27 2HB HIS 27 -2.975 -9.198 -7.567 221 HB3 HIS 27 3HB HIS 27 -1.632 -9.665 -6.535 222 HD1 HIS 27 HD1 HIS 27 -1.932 -11.753 -5.053 223 HD2 HIS 27 HD2 HIS 27 -5.297 -10.784 -7.303 224 HE1 HIS 27 HE1 HIS 27 -3.477 -13.736 -4.869 225 HE2 HIS 27 HE2 HIS 27 -5.550 -13.053 -6.101 226 H CYS 28 H CYS 28 -3.596 -5.876 -5.166 227 HA CYS 28 HA CYS 28 -0.865 -4.883 -5.581 228 HB2 CYS 28 2HB CYS 28 -3.288 -3.971 -7.169 229 HB3 CYS 28 3HB CYS 28 -1.766 -3.083 -7.104 230 H VAL 29 H VAL 29 -0.388 -3.115 -4.466 231 HA VAL 29 HA VAL 29 -2.314 -1.961 -2.576 232 HB VAL 29 HB VAL 29 0.725 -1.647 -2.788 233 HG11 VAL 29 1HG1 VAL 29 -0.305 0.321 -1.710 234 HG12 VAL 29 2HG1 VAL 29 0.634 -0.621 -0.551 235 HG13 VAL 29 3HG1 VAL 29 -1.129 -0.731 -0.554 236 HG21 VAL 29 1HG2 VAL 29 -0.925 -3.320 -0.864 237 HG22 VAL 29 2HG2 VAL 29 0.832 -3.134 -0.831 238 HG23 VAL 29 3HG2 VAL 29 0.057 -3.933 -2.199 239 H GLU 30 H GLU 30 -3.377 -0.176 -3.308 240 HA GLU 30 HA GLU 30 -2.152 1.597 -5.302 241 HB2 GLU 30 2HB GLU 30 -4.532 0.966 -5.597 242 HB3 GLU 30 3HB GLU 30 -4.924 1.659 -4.027 243 HG2 GLU 30 2HG GLU 30 -5.592 3.192 -5.769 244 HG3 GLU 30 3HG GLU 30 -4.258 3.904 -4.865 245 H VAL 31 H VAL 31 -0.806 3.087 -4.502 246 HA VAL 31 HA VAL 31 -1.301 4.328 -1.858 247 HB VAL 31 HB VAL 31 1.265 4.449 -3.520 248 HG11 VAL 31 1HG1 VAL 31 1.052 6.311 -1.968 249 HG12 VAL 31 2HG1 VAL 31 2.301 5.209 -1.390 250 HG13 VAL 31 3HG1 VAL 31 0.708 5.211 -0.631 251 HG21 VAL 31 1HG2 VAL 31 2.226 2.780 -1.991 252 HG22 VAL 31 2HG2 VAL 31 0.849 2.120 -2.875 253 HG23 VAL 31 3HG2 VAL 31 0.662 2.602 -1.184 254 H ARG 32 H ARG 32 -2.548 6.090 -2.181 255 HA ARG 32 HA ARG 32 -2.088 7.917 -4.426 256 HB2 ARG 32 2HB ARG 32 -4.420 7.183 -3.936 257 HB3 ARG 32 3HB ARG 32 -4.302 7.883 -2.322 258 HG2 ARG 32 2HG ARG 32 -3.954 10.132 -3.377 259 HG3 ARG 32 3HG ARG 32 -4.205 9.384 -4.953 260 HD2 ARG 32 2HD ARG 32 -6.219 9.546 -2.696 261 HD3 ARG 32 3HD ARG 32 -6.257 10.467 -4.200 262 HE ARG 32 HE ARG 32 -6.784 7.583 -3.880 263 HH11 ARG 32 1HH1 ARG 32 -6.880 10.436 -5.953 264 HH12 ARG 32 2HH1 ARG 32 -7.858 9.667 -7.163 265 HH21 ARG 32 1HH2 ARG 32 -8.026 6.591 -5.466 266 HH22 ARG 32 2HH2 ARG 32 -8.512 7.470 -6.884 267 H CYS 33 H CYS 33 -0.082 8.844 -3.659 268 HA CYS 33 HA CYS 33 0.125 10.280 -1.230 269 HB2 CYS 33 2HB CYS 33 1.597 10.597 -3.867 270 HB3 CYS 33 3HB CYS 33 1.987 11.546 -2.433 271 H SER 34 H SER 34 -0.196 11.811 -4.496 272 HA SER 34 HA SER 34 -2.685 13.028 -4.019 273 HB2 SER 34 2HB SER 34 -1.411 14.452 -2.393 274 HB3 SER 34 3HB SER 34 -0.357 14.999 -3.698 275 HG SER 34 HG SER 34 -3.167 15.409 -3.464 276 H ASP 35 H ASP 35 0.363 14.068 -5.520 277 HA ASP 35 HA ASP 35 -0.934 14.906 -7.960 278 HB2 ASP 35 2HB ASP 35 0.808 16.312 -7.034 279 HB3 ASP 35 3HB ASP 35 1.940 14.971 -6.938 280 H THR 36 H THR 36 1.116 12.252 -6.886 281 HA THR 36 HA THR 36 1.676 11.336 -9.608 282 HB THR 36 HB THR 36 2.769 10.418 -6.912 283 HG1 THR 36 HG1 THR 36 3.461 12.423 -8.712 284 HG21 THR 36 1HG2 THR 36 3.647 9.651 -9.728 285 HG22 THR 36 2HG2 THR 36 2.951 8.573 -8.513 286 HG23 THR 36 3HG2 THR 36 4.540 9.290 -8.249 287 H LYS 37 H LYS 37 0.673 9.738 -6.538 288 HA LYS 37 HA LYS 37 -0.429 7.852 -6.027 289 HB2 LYS 37 2HB LYS 37 -2.372 9.183 -6.914 290 HB3 LYS 37 3HB LYS 37 -2.154 8.405 -8.478 291 HG2 LYS 37 2HG LYS 37 -2.377 6.168 -6.990 292 HG3 LYS 37 3HG LYS 37 -3.218 7.266 -5.903 293 HD2 LYS 37 2HD LYS 37 -4.828 6.135 -7.326 294 HD3 LYS 37 3HD LYS 37 -4.791 7.852 -7.745 295 HE2 LYS 37 2HE LYS 37 -4.867 6.386 -9.741 296 HE3 LYS 37 3HE LYS 37 -3.406 7.371 -9.707 297 HZ1 LYS 37 1HZ LYS 37 -2.328 5.326 -8.651 298 HZ2 LYS 37 2HZ LYS 37 -2.687 5.246 -10.295 299 HZ3 LYS 37 3HZ LYS 37 -3.686 4.470 -9.178 300 H TYR 38 H TYR 38 0.733 6.020 -6.194 301 HA TYR 38 HA TYR 38 1.241 4.782 -8.836 302 HB2 TYR 38 2HB TYR 38 3.468 4.008 -7.756 303 HB3 TYR 38 3HB TYR 38 3.349 5.689 -8.237 304 HD1 TYR 38 HD1 TYR 38 3.479 3.412 -5.315 305 HD2 TYR 38 HD2 TYR 38 3.377 7.490 -6.579 306 HE1 TYR 38 HE1 TYR 38 4.085 4.109 -3.053 307 HE2 TYR 38 HE2 TYR 38 4.018 8.196 -4.313 308 HH TYR 38 HH TYR 38 3.916 7.354 -2.033 309 H THR 39 H THR 39 1.331 2.508 -8.873 310 HA THR 39 HA THR 39 -0.018 1.156 -6.596 311 HB THR 39 HB THR 39 -0.226 0.338 -9.537 312 HG1 THR 39 HG1 THR 39 -1.693 2.226 -8.044 313 HG21 THR 39 1HG2 THR 39 -1.931 -0.352 -7.114 314 HG22 THR 39 2HG2 THR 39 -0.772 -1.432 -7.894 315 HG23 THR 39 3HG2 THR 39 -2.206 -0.904 -8.773 316 H LEU 40 H LEU 40 1.302 -0.286 -5.628 317 HA LEU 40 HA LEU 40 3.570 -1.483 -7.078 318 HB2 LEU 40 2HB LEU 40 2.950 -1.108 -4.132 319 HB3 LEU 40 3HB LEU 40 4.096 -2.340 -4.645 320 HG LEU 40 HG LEU 40 5.354 -0.448 -5.866 321 HD11 LEU 40 1HD1 LEU 40 5.028 1.814 -5.029 322 HD12 LEU 40 2HD1 LEU 40 3.629 1.280 -4.096 323 HD13 LEU 40 3HD1 LEU 40 3.596 1.211 -5.860 324 HD21 LEU 40 1HD2 LEU 40 5.254 -0.422 -2.835 325 HD22 LEU 40 2HD2 LEU 40 6.559 0.233 -3.829 326 HD23 LEU 40 3HD2 LEU 40 6.226 -1.498 -3.844 327 H CYS 41 H CYS 41 3.340 -3.422 -7.906 328 HA CYS 41 HA CYS 41 1.353 -5.348 -6.841 329 HB2 CYS 41 2HB CYS 41 2.089 -4.819 -9.762 330 HB3 CYS 41 3HB CYS 41 1.008 -6.097 -9.205 Start of MODEL 11 1 H1 SER 1 1H SER 1 -0.870 -17.954 3.472 2 H2 SER 1 2H SER 1 -1.469 -16.649 4.366 3 H3 SER 1 3H SER 1 0.164 -16.704 3.948 4 HA SER 1 HA SER 1 -0.350 -16.497 1.642 5 HB2 SER 1 2HB SER 1 -3.257 -16.327 2.555 6 HB3 SER 1 3HB SER 1 -2.681 -16.172 0.894 7 HG SER 1 HG SER 1 -3.491 -18.291 1.484 8 H GLN 2 H GLN 2 0.933 -14.723 2.084 9 HA GLN 2 HA GLN 2 -0.376 -12.148 2.495 10 HB2 GLN 2 2HB GLN 2 0.139 -12.934 4.809 11 HB3 GLN 2 3HB GLN 2 1.828 -13.154 4.369 12 HG2 GLN 2 2HG GLN 2 2.007 -10.703 3.961 13 HG3 GLN 2 3HG GLN 2 0.331 -10.523 4.468 14 HE21 GLN 2 1HE2 GLN 2 3.593 -11.164 5.539 15 HE22 GLN 2 2HE2 GLN 2 3.290 -10.944 7.226 16 H GLU 3 H GLU 3 0.246 -11.702 0.392 17 HA GLU 3 HA GLU 3 3.140 -11.532 -0.275 18 HB2 GLU 3 2HB GLU 3 0.752 -11.223 -2.157 19 HB3 GLU 3 3HB GLU 3 2.438 -11.449 -2.614 20 HG2 GLU 3 2HG GLU 3 2.397 -13.751 -2.004 21 HG3 GLU 3 3HG GLU 3 0.884 -13.574 -1.115 22 H THR 4 H THR 4 0.201 -9.840 -1.129 23 HA THR 4 HA THR 4 1.430 -7.241 -1.329 24 HB THR 4 HB THR 4 -0.076 -7.832 -3.071 25 HG1 THR 4 HG1 THR 4 -1.986 -6.261 -2.276 26 HG21 THR 4 1HG2 THR 4 -2.181 -8.412 -0.966 27 HG22 THR 4 2HG2 THR 4 -1.345 -9.605 -1.966 28 HG23 THR 4 3HG2 THR 4 -2.440 -8.439 -2.709 29 H ARG 5 H ARG 5 -0.517 -8.983 0.960 30 HA ARG 5 HA ARG 5 -1.535 -6.879 2.546 31 HB2 ARG 5 2HB ARG 5 -0.616 -9.633 3.464 32 HB3 ARG 5 3HB ARG 5 -1.676 -8.547 4.360 33 HG2 ARG 5 2HG ARG 5 -3.452 -8.849 2.764 34 HG3 ARG 5 3HG ARG 5 -2.392 -9.746 1.669 35 HD2 ARG 5 2HD ARG 5 -3.911 -11.221 2.988 36 HD3 ARG 5 3HD ARG 5 -2.205 -11.578 3.259 37 HE ARG 5 HE ARG 5 -3.630 -9.810 5.143 38 HH11 ARG 5 1HH1 ARG 5 -2.068 -12.934 4.605 39 HH12 ARG 5 2HH1 ARG 5 -1.987 -13.313 6.294 40 HH21 ARG 5 1HH2 ARG 5 -3.475 -10.319 7.347 41 HH22 ARG 5 2HH2 ARG 5 -2.785 -11.830 7.848 42 H LYS 6 H LYS 6 1.561 -8.691 2.731 43 HA LYS 6 HA LYS 6 2.639 -7.283 4.959 44 HB2 LYS 6 2HB LYS 6 4.624 -8.502 4.659 45 HB3 LYS 6 3HB LYS 6 3.433 -9.562 3.940 46 HG2 LYS 6 2HG LYS 6 4.995 -9.718 2.280 47 HG3 LYS 6 3HG LYS 6 4.193 -8.256 1.701 48 HD2 LYS 6 2HD LYS 6 5.991 -6.981 3.154 49 HD3 LYS 6 3HD LYS 6 6.853 -8.524 3.145 50 HE2 LYS 6 2HE LYS 6 6.698 -8.429 0.595 51 HE3 LYS 6 3HE LYS 6 6.142 -6.759 0.785 52 HZ1 LYS 6 1HZ LYS 6 8.725 -7.822 1.814 53 HZ2 LYS 6 2HZ LYS 6 8.210 -6.214 1.875 54 HZ3 LYS 6 3HZ LYS 6 8.546 -6.939 0.385 55 H LYS 7 H LYS 7 2.636 -6.699 1.492 56 HA LYS 7 HA LYS 7 4.524 -4.550 1.491 57 HB2 LYS 7 2HB LYS 7 4.112 -5.877 -0.536 58 HB3 LYS 7 3HB LYS 7 2.431 -5.351 -0.574 59 HG2 LYS 7 2HG LYS 7 3.080 -3.070 -1.086 60 HG3 LYS 7 3HG LYS 7 4.788 -3.445 -0.833 61 HD2 LYS 7 2HD LYS 7 3.051 -4.649 -3.026 62 HD3 LYS 7 3HD LYS 7 4.131 -3.269 -3.240 63 HE2 LYS 7 2HE LYS 7 4.995 -6.072 -2.438 64 HE3 LYS 7 3HE LYS 7 5.154 -5.361 -4.045 65 HZ1 LYS 7 1HZ LYS 7 6.647 -3.704 -3.144 66 HZ2 LYS 7 2HZ LYS 7 7.220 -5.256 -2.794 67 HZ3 LYS 7 3HZ LYS 7 6.474 -4.341 -1.584 68 H CYS 8 H CYS 8 1.042 -4.792 1.984 69 HA CYS 8 HA CYS 8 0.332 -2.065 1.885 70 HB2 CYS 8 2HB CYS 8 -1.603 -3.300 2.072 71 HB3 CYS 8 3HB CYS 8 -0.848 -4.542 3.051 72 H THR 9 H THR 9 1.403 -4.104 4.621 73 HA THR 9 HA THR 9 1.646 -2.183 6.631 74 HB THR 9 HB THR 9 3.411 -4.630 6.115 75 HG1 THR 9 HG1 THR 9 0.860 -4.292 7.306 76 HG21 THR 9 1HG2 THR 9 4.387 -3.165 7.858 77 HG22 THR 9 2HG2 THR 9 3.779 -4.661 8.563 78 HG23 THR 9 3HG2 THR 9 2.850 -3.170 8.734 79 H GLU 10 H GLU 10 4.029 -3.337 4.294 80 HA GLU 10 HA GLU 10 6.310 -1.914 5.009 81 HB2 GLU 10 2HB GLU 10 6.333 -3.886 3.599 82 HB3 GLU 10 3HB GLU 10 5.354 -3.089 2.376 83 HG2 GLU 10 2HG GLU 10 7.248 -1.564 1.890 84 HG3 GLU 10 3HG GLU 10 8.223 -2.443 3.078 85 H MET 11 H MET 11 3.692 -1.001 2.798 86 HA MET 11 HA MET 11 4.971 1.401 1.825 87 HB2 MET 11 2HB MET 11 2.129 0.366 1.496 88 HB3 MET 11 3HB MET 11 2.704 1.856 0.766 89 HG2 MET 11 2HG MET 11 3.772 -0.911 0.151 90 HG3 MET 11 3HG MET 11 2.600 -0.027 -0.818 91 HE1 MET 11 1HE MET 11 7.132 0.505 -0.845 92 HE2 MET 11 2HE MET 11 6.217 -0.954 -0.470 93 HE3 MET 11 3HE MET 11 6.304 0.362 0.705 94 H LYS 12 H LYS 12 2.569 0.622 4.350 95 HA LYS 12 HA LYS 12 1.816 3.332 4.886 96 HB2 LYS 12 2HB LYS 12 1.631 0.863 6.662 97 HB3 LYS 12 3HB LYS 12 0.989 2.444 7.115 98 HG2 LYS 12 2HG LYS 12 -0.449 2.349 5.039 99 HG3 LYS 12 3HG LYS 12 0.086 0.687 4.819 100 HD2 LYS 12 2HD LYS 12 -0.914 0.049 6.974 101 HD3 LYS 12 3HD LYS 12 -1.377 1.726 7.282 102 HE2 LYS 12 2HE LYS 12 -2.890 1.684 5.351 103 HE3 LYS 12 3HE LYS 12 -2.385 0.037 4.971 104 HZ1 LYS 12 1HZ LYS 12 -3.274 -0.641 7.152 105 HZ2 LYS 12 2HZ LYS 12 -4.457 -0.023 6.120 106 HZ3 LYS 12 3HZ LYS 12 -3.865 0.926 7.384 107 H LYS 13 H LYS 13 4.334 1.198 6.125 108 HA LYS 13 HA LYS 13 5.255 2.638 8.330 109 HB2 LYS 13 2HB LYS 13 6.749 0.802 6.418 110 HB3 LYS 13 3HB LYS 13 7.453 1.413 7.914 111 HG2 LYS 13 2HG LYS 13 5.797 0.233 9.245 112 HG3 LYS 13 3HG LYS 13 4.915 -0.253 7.800 113 HD2 LYS 13 2HD LYS 13 6.220 -2.129 8.664 114 HD3 LYS 13 3HD LYS 13 6.835 -1.640 7.082 115 HE2 LYS 13 2HE LYS 13 8.668 -2.142 8.644 116 HE3 LYS 13 3HE LYS 13 8.697 -0.443 8.175 117 HZ1 LYS 13 1HZ LYS 13 7.582 -1.511 10.719 118 HZ2 LYS 13 2HZ LYS 13 7.653 0.119 10.279 119 HZ3 LYS 13 3HZ LYS 13 9.081 -0.745 10.546 120 H LYS 14 H LYS 14 5.957 3.016 4.921 121 HA LYS 14 HA LYS 14 7.941 5.149 5.307 122 HB2 LYS 14 2HB LYS 14 6.822 3.925 2.737 123 HB3 LYS 14 3HB LYS 14 8.211 5.001 2.850 124 HG2 LYS 14 2HG LYS 14 9.445 3.280 4.108 125 HG3 LYS 14 3HG LYS 14 8.043 2.204 4.022 126 HD2 LYS 14 2HD LYS 14 8.225 2.219 1.531 127 HD3 LYS 14 3HD LYS 14 9.662 3.240 1.656 128 HE2 LYS 14 2HE LYS 14 10.294 0.903 1.300 129 HE3 LYS 14 3HE LYS 14 10.819 1.433 2.901 130 HZ1 LYS 14 1HZ LYS 14 9.827 -0.757 2.983 131 HZ2 LYS 14 2HZ LYS 14 8.394 -0.175 2.302 132 HZ3 LYS 14 3HZ LYS 14 8.867 0.339 3.841 133 H PHE 15 H PHE 15 5.029 4.663 3.369 134 HA PHE 15 HA PHE 15 4.647 7.517 2.926 135 HB2 PHE 15 2HB PHE 15 3.109 5.208 1.671 136 HB3 PHE 15 3HB PHE 15 3.289 6.835 1.042 137 HD1 PHE 15 HD1 PHE 15 4.205 3.600 0.386 138 HD2 PHE 15 HD2 PHE 15 6.037 7.443 0.847 139 HE1 PHE 15 HE1 PHE 15 6.110 2.864 -0.979 140 HE2 PHE 15 HE2 PHE 15 7.932 6.689 -0.524 141 HZ PHE 15 HZ PHE 15 7.968 4.402 -1.439 142 H LYS 16 H LYS 16 4.019 6.736 5.552 143 HA LYS 16 HA LYS 16 1.216 6.477 6.026 144 HB2 LYS 16 2HB LYS 16 1.833 7.394 8.337 145 HB3 LYS 16 3HB LYS 16 2.696 5.945 7.826 146 HG2 LYS 16 2HG LYS 16 4.615 7.427 7.117 147 HG3 LYS 16 3HG LYS 16 3.761 8.787 7.857 148 HD2 LYS 16 2HD LYS 16 3.839 7.617 10.049 149 HD3 LYS 16 3HD LYS 16 4.705 6.273 9.297 150 HE2 LYS 16 2HE LYS 16 6.282 7.724 10.470 151 HE3 LYS 16 3HE LYS 16 6.569 7.824 8.732 152 HZ1 LYS 16 1HZ LYS 16 6.629 10.005 9.754 153 HZ2 LYS 16 2HZ LYS 16 5.067 9.807 10.362 154 HZ3 LYS 16 3HZ LYS 16 5.318 9.905 8.691 155 H ASN 17 H ASN 17 3.144 9.084 4.958 156 HA ASN 17 HA ASN 17 1.266 11.227 5.499 157 HB2 ASN 17 2HB ASN 17 2.839 12.587 4.115 158 HB3 ASN 17 3HB ASN 17 3.682 11.715 5.389 159 HD21 ASN 17 1HD2 ASN 17 4.896 9.811 4.800 160 HD22 ASN 17 2HD2 ASN 17 5.521 9.643 3.198 161 H CYS 18 H CYS 18 1.673 8.777 3.127 162 HA CYS 18 HA CYS 18 -0.154 10.019 1.172 163 HB2 CYS 18 2HB CYS 18 1.498 7.462 1.019 164 HB3 CYS 18 3HB CYS 18 0.482 8.093 -0.269 165 H GLU 19 H GLU 19 -1.847 8.540 0.273 166 HA GLU 19 HA GLU 19 -3.299 7.118 2.392 167 HB2 GLU 19 2HB GLU 19 -4.408 8.876 0.948 168 HB3 GLU 19 3HB GLU 19 -4.172 7.832 -0.437 169 HG2 GLU 19 2HG GLU 19 -5.698 6.167 0.483 170 HG3 GLU 19 3HG GLU 19 -5.860 7.096 1.976 171 H VAL 20 H VAL 20 -1.937 5.288 2.503 172 HA VAL 20 HA VAL 20 -1.413 3.592 0.186 173 HB VAL 20 HB VAL 20 -0.894 3.207 3.184 174 HG11 VAL 20 1HG1 VAL 20 -1.168 0.989 2.137 175 HG12 VAL 20 2HG1 VAL 20 0.519 1.261 2.574 176 HG13 VAL 20 3HG1 VAL 20 0.007 1.415 0.889 177 HG21 VAL 20 1HG2 VAL 20 1.459 3.621 2.600 178 HG22 VAL 20 2HG2 VAL 20 0.450 4.985 2.119 179 HG23 VAL 20 3HG2 VAL 20 1.016 3.837 0.903 180 H ARG 21 H ARG 21 -3.101 2.452 -0.582 181 HA ARG 21 HA ARG 21 -5.273 1.488 1.141 182 HB2 ARG 21 2HB ARG 21 -5.109 1.836 -1.883 183 HB3 ARG 21 3HB ARG 21 -6.498 1.132 -1.049 184 HG2 ARG 21 2HG ARG 21 -6.803 3.257 0.195 185 HG3 ARG 21 3HG ARG 21 -5.443 3.963 -0.686 186 HD2 ARG 21 2HD ARG 21 -6.657 3.847 -2.776 187 HD3 ARG 21 3HD ARG 21 -7.944 2.879 -2.043 188 HE ARG 21 HE ARG 21 -7.427 5.746 -1.595 189 HH11 ARG 21 1HH1 ARG 21 -9.616 2.991 -1.253 190 HH12 ARG 21 2HH1 ARG 21 -10.939 3.973 -0.730 191 HH21 ARG 21 1HH2 ARG 21 -9.165 6.979 -0.857 192 HH22 ARG 21 2HH2 ARG 21 -10.689 6.227 -0.504 193 H CYS 22 H CYS 22 -4.974 -0.471 1.893 194 HA CYS 22 HA CYS 22 -3.287 -2.475 0.720 195 HB2 CYS 22 2HB CYS 22 -5.264 -2.764 3.015 196 HB3 CYS 22 3HB CYS 22 -3.831 -3.746 2.698 197 H ASP 23 H ASP 23 -3.940 -4.475 -0.141 198 HA ASP 23 HA ASP 23 -6.679 -5.204 -0.672 199 HB2 ASP 23 2HB ASP 23 -6.524 -3.484 -2.400 200 HB3 ASP 23 3HB ASP 23 -4.942 -4.063 -2.913 201 H GLU 24 H GLU 24 -6.811 -7.337 -1.542 202 HA GLU 24 HA GLU 24 -4.387 -8.638 -2.541 203 HB2 GLU 24 2HB GLU 24 -4.560 -10.602 -1.159 204 HB3 GLU 24 3HB GLU 24 -4.511 -9.196 -0.099 205 HG2 GLU 24 2HG GLU 24 -7.037 -9.368 0.085 206 HG3 GLU 24 3HG GLU 24 -6.932 -10.901 -0.783 207 H SER 25 H SER 25 -7.390 -7.740 -3.187 208 HA SER 25 HA SER 25 -8.559 -10.118 -4.321 209 HB2 SER 25 2HB SER 25 -9.236 -7.201 -4.911 210 HB3 SER 25 3HB SER 25 -10.275 -8.607 -5.180 211 HG SER 25 HG SER 25 -10.116 -7.111 -3.024 212 H ASN 26 H ASN 26 -7.230 -7.116 -5.775 213 HA ASN 26 HA ASN 26 -6.543 -8.443 -8.292 214 HB2 ASN 26 2HB ASN 26 -7.361 -6.076 -8.271 215 HB3 ASN 26 3HB ASN 26 -5.944 -5.601 -7.340 216 HD21 ASN 26 1HD2 ASN 26 -4.974 -4.273 -8.811 217 HD22 ASN 26 2HD2 ASN 26 -4.425 -4.761 -10.372 218 H HIS 27 H HIS 27 -5.167 -7.871 -5.225 219 HA HIS 27 HA HIS 27 -3.234 -8.383 -4.206 220 HB2 HIS 27 2HB HIS 27 -2.300 -9.585 -6.860 221 HB3 HIS 27 3HB HIS 27 -1.430 -9.714 -5.340 222 HD1 HIS 27 HD1 HIS 27 -1.863 -11.829 -4.086 223 HD2 HIS 27 HD2 HIS 27 -4.989 -10.898 -6.673 224 HE1 HIS 27 HE1 HIS 27 -3.467 -13.753 -3.934 225 HE2 HIS 27 HE2 HIS 27 -5.344 -13.167 -5.503 226 H CYS 28 H CYS 28 -3.671 -5.834 -4.987 227 HA CYS 28 HA CYS 28 -0.995 -4.779 -5.621 228 HB2 CYS 28 2HB CYS 28 -3.518 -4.165 -7.193 229 HB3 CYS 28 3HB CYS 28 -2.088 -3.140 -7.253 230 H VAL 29 H VAL 29 -0.466 -3.201 -4.282 231 HA VAL 29 HA VAL 29 -2.436 -1.857 -2.582 232 HB VAL 29 HB VAL 29 0.629 -1.750 -2.573 233 HG11 VAL 29 1HG1 VAL 29 0.437 -0.700 -0.337 234 HG12 VAL 29 2HG1 VAL 29 -1.321 -0.651 -0.506 235 HG13 VAL 29 3HG1 VAL 29 -0.302 0.304 -1.587 236 HG21 VAL 29 1HG2 VAL 29 -0.229 -3.989 -1.973 237 HG22 VAL 29 2HG2 VAL 29 -1.249 -3.273 -0.720 238 HG23 VAL 29 3HG2 VAL 29 0.510 -3.197 -0.578 239 H GLU 30 H GLU 30 -3.353 -0.069 -3.417 240 HA GLU 30 HA GLU 30 -1.997 1.698 -5.320 241 HB2 GLU 30 2HB GLU 30 -4.355 1.224 -5.772 242 HB3 GLU 30 3HB GLU 30 -4.817 1.719 -4.145 243 HG2 GLU 30 2HG GLU 30 -4.031 4.057 -4.720 244 HG3 GLU 30 3HG GLU 30 -3.774 3.502 -6.372 245 H VAL 31 H VAL 31 -0.600 3.120 -4.410 246 HA VAL 31 HA VAL 31 -1.202 4.363 -1.801 247 HB VAL 31 HB VAL 31 1.365 4.535 -3.440 248 HG11 VAL 31 1HG1 VAL 31 2.407 5.281 -1.322 249 HG12 VAL 31 2HG1 VAL 31 0.827 5.240 -0.531 250 HG13 VAL 31 3HG1 VAL 31 1.124 6.372 -1.853 251 HG21 VAL 31 1HG2 VAL 31 0.982 2.190 -2.849 252 HG22 VAL 31 2HG2 VAL 31 0.772 2.625 -1.146 253 HG23 VAL 31 3HG2 VAL 31 2.340 2.849 -1.933 254 H ARG 32 H ARG 32 -2.429 6.102 -2.086 255 HA ARG 32 HA ARG 32 -2.107 7.907 -4.394 256 HB2 ARG 32 2HB ARG 32 -4.336 6.843 -4.060 257 HB3 ARG 32 3HB ARG 32 -4.431 7.546 -2.447 258 HG2 ARG 32 2HG ARG 32 -4.441 9.824 -3.467 259 HG3 ARG 32 3HG ARG 32 -4.393 9.084 -5.068 260 HD2 ARG 32 2HD ARG 32 -6.616 8.899 -3.007 261 HD3 ARG 32 3HD ARG 32 -6.687 9.663 -4.597 262 HE ARG 32 HE ARG 32 -6.183 7.168 -5.333 263 HH11 ARG 32 1HH1 ARG 32 -8.481 8.265 -2.886 264 HH12 ARG 32 2HH1 ARG 32 -9.541 6.913 -3.127 265 HH21 ARG 32 1HH2 ARG 32 -7.557 5.397 -5.572 266 HH22 ARG 32 2HH2 ARG 32 -9.017 5.293 -4.644 267 H CYS 33 H CYS 33 -0.267 8.991 -3.476 268 HA CYS 33 HA CYS 33 -0.274 10.305 -0.966 269 HB2 CYS 33 2HB CYS 33 1.298 10.960 -3.485 270 HB3 CYS 33 3HB CYS 33 1.652 11.586 -1.874 271 H SER 34 H SER 34 -0.669 11.700 -4.220 272 HA SER 34 HA SER 34 -3.149 12.847 -3.971 273 HB2 SER 34 2HB SER 34 -2.586 15.343 -3.822 274 HB3 SER 34 3HB SER 34 -2.364 14.463 -2.312 275 HG SER 34 HG SER 34 -0.618 15.979 -3.383 276 H ASP 35 H ASP 35 -0.033 14.065 -5.106 277 HA ASP 35 HA ASP 35 -0.976 14.674 -7.774 278 HB2 ASP 35 2HB ASP 35 0.558 16.195 -6.621 279 HB3 ASP 35 3HB ASP 35 1.727 14.904 -6.373 280 H THR 36 H THR 36 1.108 12.260 -6.226 281 HA THR 36 HA THR 36 2.185 11.233 -8.708 282 HB THR 36 HB THR 36 3.294 9.526 -7.148 283 HG1 THR 36 HG1 THR 36 3.096 10.676 -4.846 284 HG21 THR 36 1HG2 THR 36 4.486 11.583 -7.830 285 HG22 THR 36 2HG2 THR 36 4.874 11.157 -6.164 286 HG23 THR 36 3HG2 THR 36 3.740 12.470 -6.493 287 H LYS 37 H LYS 37 0.598 9.415 -6.043 288 HA LYS 37 HA LYS 37 -0.858 7.689 -5.973 289 HB2 LYS 37 2HB LYS 37 -2.410 9.370 -6.958 290 HB3 LYS 37 3HB LYS 37 -1.928 8.873 -8.574 291 HG2 LYS 37 2HG LYS 37 -2.853 6.556 -8.006 292 HG3 LYS 37 3HG LYS 37 -3.523 7.276 -6.540 293 HD2 LYS 37 2HD LYS 37 -4.178 8.067 -9.412 294 HD3 LYS 37 3HD LYS 37 -5.233 7.172 -8.314 295 HE2 LYS 37 2HE LYS 37 -5.355 9.154 -6.832 296 HE3 LYS 37 3HE LYS 37 -4.290 10.041 -7.924 297 HZ1 LYS 37 1HZ LYS 37 -5.981 9.799 -9.663 298 HZ2 LYS 37 2HZ LYS 37 -6.569 10.637 -8.320 299 HZ3 LYS 37 3HZ LYS 37 -7.004 9.021 -8.567 300 H TYR 38 H TYR 38 0.600 6.000 -6.174 301 HA TYR 38 HA TYR 38 1.053 4.798 -8.848 302 HB2 TYR 38 2HB TYR 38 3.364 4.127 -7.921 303 HB3 TYR 38 3HB TYR 38 3.141 5.816 -8.313 304 HD1 TYR 38 HD1 TYR 38 3.375 3.419 -5.496 305 HD2 TYR 38 HD2 TYR 38 3.340 7.537 -6.612 306 HE1 TYR 38 HE1 TYR 38 4.064 4.011 -3.232 307 HE2 TYR 38 HE2 TYR 38 4.064 8.150 -4.340 308 HH TYR 38 HH TYR 38 5.209 5.825 -2.116 309 H THR 39 H THR 39 1.215 2.515 -8.919 310 HA THR 39 HA THR 39 -0.039 1.114 -6.615 311 HB THR 39 HB THR 39 -0.400 0.566 -9.598 312 HG1 THR 39 HG1 THR 39 -1.758 2.106 -7.779 313 HG21 THR 39 1HG2 THR 39 -0.472 -1.545 -8.315 314 HG22 THR 39 2HG2 THR 39 -2.084 -1.117 -8.890 315 HG23 THR 39 3HG2 THR 39 -1.653 -0.837 -7.205 316 H LEU 40 H LEU 40 1.331 -0.267 -5.689 317 HA LEU 40 HA LEU 40 3.485 -1.578 -7.216 318 HB2 LEU 40 2HB LEU 40 3.036 -1.159 -4.238 319 HB3 LEU 40 3HB LEU 40 4.180 -2.351 -4.833 320 HG LEU 40 HG LEU 40 5.339 -0.405 -6.063 321 HD11 LEU 40 1HD1 LEU 40 5.029 1.837 -5.144 322 HD12 LEU 40 2HD1 LEU 40 3.666 1.258 -4.180 323 HD13 LEU 40 3HD1 LEU 40 3.572 1.245 -5.943 324 HD21 LEU 40 1HD2 LEU 40 6.306 -1.486 -4.097 325 HD22 LEU 40 2HD2 LEU 40 5.363 -0.443 -3.029 326 HD23 LEU 40 3HD2 LEU 40 6.616 0.250 -4.064 327 H CYS 41 H CYS 41 3.298 -3.672 -7.728 328 HA CYS 41 HA CYS 41 1.301 -5.390 -6.363 329 HB2 CYS 41 2HB CYS 41 2.016 -5.423 -9.327 330 HB3 CYS 41 3HB CYS 41 0.837 -6.464 -8.530 Start of MODEL 12 1 H1 SER 1 1H SER 1 4.172 -15.473 -3.073 2 H2 SER 1 2H SER 1 4.776 -14.323 -1.998 3 H3 SER 1 3H SER 1 3.305 -14.048 -2.777 4 HA SER 1 HA SER 1 2.297 -15.880 -1.619 5 HB2 SER 1 2HB SER 1 5.036 -16.107 -0.279 6 HB3 SER 1 3HB SER 1 3.612 -17.052 0.163 7 HG SER 1 HG SER 1 4.036 -18.353 -1.426 8 H GLN 2 H GLN 2 0.915 -14.407 -0.738 9 HA GLN 2 HA GLN 2 -0.112 -12.980 0.689 10 HB2 GLN 2 2HB GLN 2 0.657 -14.687 2.329 11 HB3 GLN 2 3HB GLN 2 2.159 -13.808 2.548 12 HG2 GLN 2 2HG GLN 2 1.019 -11.993 3.672 13 HG3 GLN 2 3HG GLN 2 -0.563 -12.669 3.286 14 HE21 GLN 2 1HE2 GLN 2 0.696 -12.013 5.882 15 HE22 GLN 2 2HE2 GLN 2 0.597 -13.455 6.820 16 H GLU 3 H GLU 3 2.198 -12.043 -1.068 17 HA GLU 3 HA GLU 3 3.730 -10.116 0.356 18 HB2 GLU 3 2HB GLU 3 4.496 -11.324 -1.734 19 HB3 GLU 3 3HB GLU 3 3.416 -10.290 -2.669 20 HG2 GLU 3 2HG GLU 3 4.664 -8.285 -1.917 21 HG3 GLU 3 3HG GLU 3 5.713 -9.303 -0.931 22 H THR 4 H THR 4 0.793 -9.938 -1.582 23 HA THR 4 HA THR 4 0.729 -7.148 -1.976 24 HB THR 4 HB THR 4 -0.605 -8.730 -3.330 25 HG1 THR 4 HG1 THR 4 -2.138 -6.752 -1.962 26 HG21 THR 4 1HG2 THR 4 -1.364 -10.281 -1.550 27 HG22 THR 4 2HG2 THR 4 -2.712 -9.672 -2.518 28 HG23 THR 4 3HG2 THR 4 -2.413 -9.018 -0.904 29 H ARG 5 H ARG 5 -0.251 -9.126 0.786 30 HA ARG 5 HA ARG 5 -1.706 -7.022 2.134 31 HB2 ARG 5 2HB ARG 5 -0.590 -9.642 3.217 32 HB3 ARG 5 3HB ARG 5 -1.621 -8.536 4.120 33 HG2 ARG 5 2HG ARG 5 -3.435 -8.921 2.449 34 HG3 ARG 5 3HG ARG 5 -2.403 -10.112 1.647 35 HD2 ARG 5 2HD ARG 5 -2.319 -11.457 3.704 36 HD3 ARG 5 3HD ARG 5 -3.289 -10.255 4.558 37 HE ARG 5 HE ARG 5 -4.771 -11.084 2.363 38 HH11 ARG 5 1HH1 ARG 5 -3.471 -12.539 5.315 39 HH12 ARG 5 2HH1 ARG 5 -4.734 -13.724 5.422 40 HH21 ARG 5 1HH2 ARG 5 -6.394 -12.642 2.532 41 HH22 ARG 5 2HH2 ARG 5 -6.387 -13.781 3.841 42 H LYS 6 H LYS 6 1.537 -8.524 2.533 43 HA LYS 6 HA LYS 6 2.258 -6.974 4.828 44 HB2 LYS 6 2HB LYS 6 4.359 -8.126 4.785 45 HB3 LYS 6 3HB LYS 6 3.183 -9.284 4.195 46 HG2 LYS 6 2HG LYS 6 4.831 -9.672 2.645 47 HG3 LYS 6 3HG LYS 6 4.003 -8.360 1.806 48 HD2 LYS 6 2HD LYS 6 5.764 -6.842 3.196 49 HD3 LYS 6 3HD LYS 6 6.682 -8.349 3.222 50 HE2 LYS 6 2HE LYS 6 6.592 -8.417 0.746 51 HE3 LYS 6 3HE LYS 6 5.697 -6.892 0.755 52 HZ1 LYS 6 1HZ LYS 6 7.599 -5.780 1.689 53 HZ2 LYS 6 2HZ LYS 6 8.105 -6.639 0.322 54 HZ3 LYS 6 3HZ LYS 6 8.436 -7.236 1.863 55 H LYS 7 H LYS 7 2.578 -6.528 1.390 56 HA LYS 7 HA LYS 7 4.642 -4.600 1.280 57 HB2 LYS 7 2HB LYS 7 3.911 -5.917 -0.649 58 HB3 LYS 7 3HB LYS 7 2.328 -5.150 -0.627 59 HG2 LYS 7 2HG LYS 7 3.262 -3.034 -1.348 60 HG3 LYS 7 3HG LYS 7 4.914 -3.618 -1.103 61 HD2 LYS 7 2HD LYS 7 2.955 -4.745 -3.144 62 HD3 LYS 7 3HD LYS 7 4.244 -3.600 -3.510 63 HE2 LYS 7 2HE LYS 7 5.927 -5.265 -2.780 64 HE3 LYS 7 3HE LYS 7 4.630 -6.405 -2.411 65 HZ1 LYS 7 1HZ LYS 7 5.725 -6.780 -4.566 66 HZ2 LYS 7 2HZ LYS 7 5.134 -5.287 -5.111 67 HZ3 LYS 7 3HZ LYS 7 4.062 -6.525 -4.689 68 H CYS 8 H CYS 8 1.101 -4.363 1.571 69 HA CYS 8 HA CYS 8 0.803 -1.574 1.439 70 HB2 CYS 8 2HB CYS 8 -1.090 -3.211 1.353 71 HB3 CYS 8 3HB CYS 8 -0.876 -3.517 3.074 72 H THR 9 H THR 9 1.332 -3.741 4.226 73 HA THR 9 HA THR 9 1.318 -1.929 6.343 74 HB THR 9 HB THR 9 3.100 -4.414 6.083 75 HG1 THR 9 HG1 THR 9 1.284 -5.462 5.928 76 HG21 THR 9 1HG2 THR 9 1.823 -3.133 8.542 77 HG22 THR 9 2HG2 THR 9 3.534 -3.034 8.111 78 HG23 THR 9 3HG2 THR 9 2.814 -4.592 8.528 79 H GLU 10 H GLU 10 4.020 -3.086 4.352 80 HA GLU 10 HA GLU 10 6.184 -1.712 5.477 81 HB2 GLU 10 2HB GLU 10 6.422 -3.629 3.979 82 HB3 GLU 10 3HB GLU 10 5.706 -2.727 2.647 83 HG2 GLU 10 2HG GLU 10 7.630 -1.232 2.577 84 HG3 GLU 10 3HG GLU 10 8.339 -2.031 3.983 85 H MET 11 H MET 11 4.034 -0.831 2.791 86 HA MET 11 HA MET 11 5.370 1.589 2.086 87 HB2 MET 11 2HB MET 11 2.570 0.613 1.425 88 HB3 MET 11 3HB MET 11 3.315 2.036 0.714 89 HG2 MET 11 2HG MET 11 4.406 -0.771 0.405 90 HG3 MET 11 3HG MET 11 3.313 -0.008 -0.737 91 HE1 MET 11 1HE MET 11 6.888 0.667 1.046 92 HE2 MET 11 2HE MET 11 7.840 0.631 -0.438 93 HE3 MET 11 3HE MET 11 6.923 -0.793 0.053 94 H LYS 12 H LYS 12 2.869 0.842 4.483 95 HA LYS 12 HA LYS 12 1.942 3.510 4.933 96 HB2 LYS 12 2HB LYS 12 1.966 1.057 6.731 97 HB3 LYS 12 3HB LYS 12 1.211 2.581 7.200 98 HG2 LYS 12 2HG LYS 12 -0.410 2.428 5.450 99 HG3 LYS 12 3HG LYS 12 0.435 1.075 4.693 100 HD2 LYS 12 2HD LYS 12 -0.061 -0.336 6.688 101 HD3 LYS 12 3HD LYS 12 -0.940 1.015 7.416 102 HE2 LYS 12 2HE LYS 12 -2.618 0.940 5.685 103 HE3 LYS 12 3HE LYS 12 -1.672 -0.216 4.744 104 HZ1 LYS 12 1HZ LYS 12 -3.486 -1.282 5.948 105 HZ2 LYS 12 2HZ LYS 12 -2.841 -0.758 7.421 106 HZ3 LYS 12 3HZ LYS 12 -1.982 -1.852 6.467 107 H LYS 13 H LYS 13 4.626 1.619 6.233 108 HA LYS 13 HA LYS 13 5.460 3.395 8.303 109 HB2 LYS 13 2HB LYS 13 7.240 1.469 6.748 110 HB3 LYS 13 3HB LYS 13 7.510 2.082 8.381 111 HG2 LYS 13 2HG LYS 13 5.546 0.830 9.185 112 HG3 LYS 13 3HG LYS 13 5.242 0.249 7.543 113 HD2 LYS 13 2HD LYS 13 7.563 -0.823 7.620 114 HD3 LYS 13 3HD LYS 13 7.606 -0.408 9.337 115 HE2 LYS 13 2HE LYS 13 5.608 -2.241 7.968 116 HE3 LYS 13 3HE LYS 13 6.892 -2.716 9.080 117 HZ1 LYS 13 1HZ LYS 13 5.763 -1.409 10.818 118 HZ2 LYS 13 2HZ LYS 13 4.807 -2.676 10.233 119 HZ3 LYS 13 3HZ LYS 13 4.496 -1.084 9.749 120 H LYS 14 H LYS 14 6.116 3.124 4.901 121 HA LYS 14 HA LYS 14 8.231 5.064 4.706 122 HB2 LYS 14 2HB LYS 14 6.389 3.870 2.579 123 HB3 LYS 14 3HB LYS 14 7.864 4.765 2.257 124 HG2 LYS 14 2HG LYS 14 8.037 2.250 3.899 125 HG3 LYS 14 3HG LYS 14 7.789 2.111 2.161 126 HD2 LYS 14 2HD LYS 14 10.137 1.945 2.626 127 HD3 LYS 14 3HD LYS 14 9.863 3.462 1.792 128 HE2 LYS 14 2HE LYS 14 10.088 4.701 3.871 129 HE3 LYS 14 3HE LYS 14 10.164 3.206 4.798 130 HZ1 LYS 14 1HZ LYS 14 12.249 2.670 3.752 131 HZ2 LYS 14 2HZ LYS 14 12.353 4.209 4.445 132 HZ3 LYS 14 3HZ LYS 14 12.162 4.046 2.773 133 H PHE 15 H PHE 15 4.763 4.961 4.070 134 HA PHE 15 HA PHE 15 4.726 7.781 3.161 135 HB2 PHE 15 2HB PHE 15 3.009 5.498 2.066 136 HB3 PHE 15 3HB PHE 15 3.157 7.113 1.399 137 HD1 PHE 15 HD1 PHE 15 3.858 3.959 0.487 138 HD2 PHE 15 HD2 PHE 15 6.073 7.555 1.199 139 HE1 PHE 15 HE1 PHE 15 5.668 3.136 -0.940 140 HE2 PHE 15 HE2 PHE 15 7.878 6.700 -0.231 141 HZ PHE 15 HZ PHE 15 7.670 4.495 -1.314 142 H LYS 16 H LYS 16 4.424 7.452 5.686 143 HA LYS 16 HA LYS 16 2.015 6.789 6.893 144 HB2 LYS 16 2HB LYS 16 2.738 8.479 8.672 145 HB3 LYS 16 3HB LYS 16 3.924 7.244 8.264 146 HG2 LYS 16 2HG LYS 16 5.176 8.828 6.879 147 HG3 LYS 16 3HG LYS 16 3.967 10.081 7.155 148 HD2 LYS 16 2HD LYS 16 5.672 8.825 9.350 149 HD3 LYS 16 3HD LYS 16 6.052 10.342 8.531 150 HE2 LYS 16 2HE LYS 16 3.891 11.289 9.349 151 HE3 LYS 16 3HE LYS 16 3.598 9.789 10.236 152 HZ1 LYS 16 1HZ LYS 16 5.927 11.595 10.655 153 HZ2 LYS 16 2HZ LYS 16 5.584 10.188 11.531 154 HZ3 LYS 16 3HZ LYS 16 4.554 11.522 11.643 155 H ASN 17 H ASN 17 2.912 9.769 5.213 156 HA ASN 17 HA ASN 17 0.466 11.175 5.973 157 HB2 ASN 17 2HB ASN 17 2.804 12.032 4.212 158 HB3 ASN 17 3HB ASN 17 1.452 13.070 4.659 159 HD21 ASN 17 1HD2 ASN 17 4.279 13.441 5.211 160 HD22 ASN 17 2HD2 ASN 17 4.440 13.552 6.927 161 H CYS 18 H CYS 18 1.272 8.972 3.595 162 HA CYS 18 HA CYS 18 -0.667 10.021 1.619 163 HB2 CYS 18 2HB CYS 18 1.500 7.904 1.265 164 HB3 CYS 18 3HB CYS 18 0.411 8.495 0.014 165 H GLU 19 H GLU 19 -2.065 8.428 0.593 166 HA GLU 19 HA GLU 19 -3.386 6.773 2.599 167 HB2 GLU 19 2HB GLU 19 -4.692 8.440 1.283 168 HB3 GLU 19 3HB GLU 19 -4.255 7.605 -0.204 169 HG2 GLU 19 2HG GLU 19 -5.473 5.591 0.579 170 HG3 GLU 19 3HG GLU 19 -5.947 6.447 2.045 171 H VAL 20 H VAL 20 -1.945 5.028 2.660 172 HA VAL 20 HA VAL 20 -1.298 3.494 0.266 173 HB VAL 20 HB VAL 20 -0.777 2.874 3.223 174 HG11 VAL 20 1HG1 VAL 20 0.355 1.543 0.728 175 HG12 VAL 20 2HG1 VAL 20 -0.784 0.815 1.862 176 HG13 VAL 20 3HG1 VAL 20 0.854 1.200 2.388 177 HG21 VAL 20 1HG2 VAL 20 1.095 4.027 1.135 178 HG22 VAL 20 2HG2 VAL 20 1.528 3.613 2.794 179 HG23 VAL 20 3HG2 VAL 20 0.380 4.916 2.480 180 H ARG 21 H ARG 21 -2.900 2.310 -0.565 181 HA ARG 21 HA ARG 21 -5.209 1.446 1.034 182 HB2 ARG 21 2HB ARG 21 -4.851 1.535 -1.998 183 HB3 ARG 21 3HB ARG 21 -6.358 1.210 -1.140 184 HG2 ARG 21 2HG ARG 21 -6.434 3.475 -0.278 185 HG3 ARG 21 3HG ARG 21 -4.824 3.822 -0.916 186 HD2 ARG 21 2HD ARG 21 -6.623 4.795 -2.310 187 HD3 ARG 21 3HD ARG 21 -5.648 3.626 -3.203 188 HE ARG 21 HE ARG 21 -7.438 2.132 -3.220 189 HH11 ARG 21 1HH1 ARG 21 -8.371 5.101 -1.554 190 HH12 ARG 21 2HH1 ARG 21 -10.069 4.754 -1.635 191 HH21 ARG 21 1HH2 ARG 21 -9.675 1.689 -3.313 192 HH22 ARG 21 2HH2 ARG 21 -10.800 2.825 -2.633 193 H CYS 22 H CYS 22 -4.825 -0.524 1.926 194 HA CYS 22 HA CYS 22 -3.316 -2.649 0.798 195 HB2 CYS 22 2HB CYS 22 -5.499 -2.767 2.935 196 HB3 CYS 22 3HB CYS 22 -4.332 -4.045 2.597 197 H ASP 23 H ASP 23 -3.949 -4.496 -0.270 198 HA ASP 23 HA ASP 23 -6.720 -5.044 -0.929 199 HB2 ASP 23 2HB ASP 23 -6.264 -3.429 -2.695 200 HB3 ASP 23 3HB ASP 23 -4.720 -4.178 -3.078 201 H GLU 24 H GLU 24 -6.994 -7.080 -1.866 202 HA GLU 24 HA GLU 24 -4.777 -8.862 -2.412 203 HB2 GLU 24 2HB GLU 24 -5.628 -10.600 -0.811 204 HB3 GLU 24 3HB GLU 24 -4.964 -9.176 -0.020 205 HG2 GLU 24 2HG GLU 24 -7.236 -8.327 0.414 206 HG3 GLU 24 3HG GLU 24 -7.927 -9.717 -0.419 207 H SER 25 H SER 25 -7.789 -7.654 -3.098 208 HA SER 25 HA SER 25 -9.047 -10.006 -4.219 209 HB2 SER 25 2HB SER 25 -9.633 -7.035 -4.630 210 HB3 SER 25 3HB SER 25 -10.653 -8.364 -5.191 211 HG SER 25 HG SER 25 -9.955 -8.258 -2.489 212 H ASN 26 H ASN 26 -7.583 -7.069 -5.532 213 HA ASN 26 HA ASN 26 -7.205 -8.165 -8.212 214 HB2 ASN 26 2HB ASN 26 -8.020 -5.856 -7.919 215 HB3 ASN 26 3HB ASN 26 -6.608 -5.432 -6.958 216 HD21 ASN 26 1HD2 ASN 26 -4.729 -4.914 -8.002 217 HD22 ASN 26 2HD2 ASN 26 -4.589 -4.748 -9.715 218 H HIS 27 H HIS 27 -5.528 -8.021 -5.248 219 HA HIS 27 HA HIS 27 -3.515 -8.645 -4.478 220 HB2 HIS 27 2HB HIS 27 -3.245 -9.929 -7.225 221 HB3 HIS 27 3HB HIS 27 -2.029 -10.110 -5.966 222 HD1 HIS 27 HD1 HIS 27 -2.442 -11.814 -4.157 223 HD2 HIS 27 HD2 HIS 27 -5.769 -11.233 -6.588 224 HE1 HIS 27 HE1 HIS 27 -4.070 -13.624 -3.532 225 HE2 HIS 27 HE2 HIS 27 -6.066 -13.240 -5.005 226 H CYS 28 H CYS 28 -3.744 -6.041 -5.239 227 HA CYS 28 HA CYS 28 -0.974 -5.317 -5.704 228 HB2 CYS 28 2HB CYS 28 -2.038 -5.503 -8.011 229 HB3 CYS 28 3HB CYS 28 -3.092 -4.165 -7.571 230 H VAL 29 H VAL 29 -0.473 -3.667 -4.420 231 HA VAL 29 HA VAL 29 -2.510 -2.217 -2.916 232 HB VAL 29 HB VAL 29 0.550 -2.206 -2.687 233 HG11 VAL 29 1HG1 VAL 29 -0.351 -0.068 -1.849 234 HG12 VAL 29 2HG1 VAL 29 0.260 -1.046 -0.515 235 HG13 VAL 29 3HG1 VAL 29 -1.478 -0.934 -0.800 236 HG21 VAL 29 1HG2 VAL 29 -1.518 -3.565 -0.931 237 HG22 VAL 29 2HG2 VAL 29 0.227 -3.554 -0.664 238 HG23 VAL 29 3HG2 VAL 29 -0.443 -4.370 -2.077 239 H GLU 30 H GLU 30 -3.278 -0.386 -3.795 240 HA GLU 30 HA GLU 30 -1.615 1.386 -5.426 241 HB2 GLU 30 2HB GLU 30 -3.993 1.142 -6.053 242 HB3 GLU 30 3HB GLU 30 -4.499 1.655 -4.442 243 HG2 GLU 30 2HG GLU 30 -3.462 3.883 -4.846 244 HG3 GLU 30 3HG GLU 30 -3.024 3.372 -6.469 245 H VAL 31 H VAL 31 -0.230 2.740 -4.328 246 HA VAL 31 HA VAL 31 -1.110 3.894 -1.755 247 HB VAL 31 HB VAL 31 1.547 4.314 -3.208 248 HG11 VAL 31 1HG1 VAL 31 0.694 5.047 -0.378 249 HG12 VAL 31 2HG1 VAL 31 0.968 6.172 -1.711 250 HG13 VAL 31 3HG1 VAL 31 2.319 5.257 -1.044 251 HG21 VAL 31 1HG2 VAL 31 1.345 1.969 -2.542 252 HG22 VAL 31 2HG2 VAL 31 0.933 2.453 -0.891 253 HG23 VAL 31 3HG2 VAL 31 2.542 2.793 -1.536 254 H ARG 32 H ARG 32 -2.562 5.377 -2.243 255 HA ARG 32 HA ARG 32 -2.236 7.419 -4.294 256 HB2 ARG 32 2HB ARG 32 -4.451 6.430 -3.707 257 HB3 ARG 32 3HB ARG 32 -4.287 7.029 -2.058 258 HG2 ARG 32 2HG ARG 32 -4.403 9.345 -2.867 259 HG3 ARG 32 3HG ARG 32 -4.454 8.775 -4.540 260 HD2 ARG 32 2HD ARG 32 -6.555 8.361 -2.391 261 HD3 ARG 32 3HD ARG 32 -6.710 9.309 -3.873 262 HE ARG 32 HE ARG 32 -6.094 6.705 -4.655 263 HH11 ARG 32 1HH1 ARG 32 -8.756 8.220 -2.931 264 HH12 ARG 32 2HH1 ARG 32 -9.910 7.036 -3.456 265 HH21 ARG 32 1HH2 ARG 32 -7.593 5.166 -5.292 266 HH22 ARG 32 2HH2 ARG 32 -9.249 5.308 -4.794 267 H CYS 33 H CYS 33 -1.993 9.715 -3.649 268 HA CYS 33 HA CYS 33 -1.575 10.300 -0.817 269 HB2 CYS 33 2HB CYS 33 0.687 9.653 -1.893 270 HB3 CYS 33 3HB CYS 33 0.580 11.177 -2.759 271 H SER 34 H SER 34 -0.615 12.302 -3.616 272 HA SER 34 HA SER 34 -3.069 13.874 -3.498 273 HB2 SER 34 2HB SER 34 -0.343 15.104 -2.848 274 HB3 SER 34 3HB SER 34 -1.834 16.023 -3.098 275 HG SER 34 HG SER 34 -2.534 14.367 -1.297 276 H ASP 35 H ASP 35 0.271 13.794 -4.784 277 HA ASP 35 HA ASP 35 -0.773 14.445 -7.495 278 HB2 ASP 35 2HB ASP 35 1.268 15.826 -7.867 279 HB3 ASP 35 3HB ASP 35 0.272 16.449 -6.557 280 H THR 36 H THR 36 0.847 12.128 -5.677 281 HA THR 36 HA THR 36 2.605 11.224 -7.851 282 HB THR 36 HB THR 36 3.330 9.490 -6.100 283 HG1 THR 36 HG1 THR 36 2.692 10.661 -3.891 284 HG21 THR 36 1HG2 THR 36 3.706 12.421 -5.367 285 HG22 THR 36 2HG2 THR 36 4.688 11.510 -6.513 286 HG23 THR 36 3HG2 THR 36 4.712 11.085 -4.800 287 H LYS 37 H LYS 37 0.605 9.299 -5.593 288 HA LYS 37 HA LYS 37 -0.361 7.304 -5.770 289 HB2 LYS 37 2HB LYS 37 -2.211 8.623 -6.677 290 HB3 LYS 37 3HB LYS 37 -1.583 8.438 -8.314 291 HG2 LYS 37 2HG LYS 37 -1.935 5.975 -8.164 292 HG3 LYS 37 3HG LYS 37 -2.562 6.167 -6.525 293 HD2 LYS 37 2HD LYS 37 -3.821 7.460 -8.974 294 HD3 LYS 37 3HD LYS 37 -4.319 5.889 -8.343 295 HE2 LYS 37 2HE LYS 37 -4.937 6.942 -6.203 296 HE3 LYS 37 3HE LYS 37 -4.434 8.518 -6.828 297 HZ1 LYS 37 1HZ LYS 37 -6.152 8.416 -8.469 298 HZ2 LYS 37 2HZ LYS 37 -6.856 8.110 -6.960 299 HZ3 LYS 37 3HZ LYS 37 -6.563 6.838 -8.036 300 H TYR 38 H TYR 38 0.836 5.601 -6.001 301 HA TYR 38 HA TYR 38 1.676 4.582 -8.640 302 HB2 TYR 38 2HB TYR 38 3.869 3.804 -7.387 303 HB3 TYR 38 3HB TYR 38 3.761 5.451 -7.970 304 HD1 TYR 38 HD1 TYR 38 3.846 3.363 -4.930 305 HD2 TYR 38 HD2 TYR 38 3.481 7.345 -6.445 306 HE1 TYR 38 HE1 TYR 38 4.231 4.250 -2.685 307 HE2 TYR 38 HE2 TYR 38 3.881 8.241 -4.198 308 HH TYR 38 HH TYR 38 5.094 6.427 -1.686 309 H THR 39 H THR 39 1.560 2.338 -8.787 310 HA THR 39 HA THR 39 0.100 1.066 -6.548 311 HB THR 39 HB THR 39 -0.319 0.487 -9.515 312 HG1 THR 39 HG1 THR 39 -0.863 2.704 -8.967 313 HG21 THR 39 1HG2 THR 39 -2.458 -0.477 -8.764 314 HG22 THR 39 2HG2 THR 39 -2.094 -0.039 -7.095 315 HG23 THR 39 3HG2 THR 39 -1.119 -1.253 -7.910 316 H LEU 40 H LEU 40 1.416 -0.321 -5.637 317 HA LEU 40 HA LEU 40 3.513 -1.783 -7.067 318 HB2 LEU 40 2HB LEU 40 3.161 -0.832 -4.210 319 HB3 LEU 40 3HB LEU 40 4.091 -2.297 -4.483 320 HG LEU 40 HG LEU 40 5.554 -0.899 -6.088 321 HD11 LEU 40 1HD1 LEU 40 5.615 1.514 -5.726 322 HD12 LEU 40 2HD1 LEU 40 4.202 1.407 -4.677 323 HD13 LEU 40 3HD1 LEU 40 4.062 1.006 -6.391 324 HD21 LEU 40 1HD2 LEU 40 6.329 -1.654 -3.897 325 HD22 LEU 40 2HD2 LEU 40 5.574 -0.255 -3.126 326 HD23 LEU 40 3HD2 LEU 40 6.924 -0.030 -4.240 327 H CYS 41 H CYS 41 2.658 -3.614 -7.823 328 HA CYS 41 HA CYS 41 0.602 -5.125 -6.472 329 HB2 CYS 41 2HB CYS 41 2.142 -5.736 -9.024 330 HB3 CYS 41 3HB CYS 41 0.701 -6.576 -8.462 Start of MODEL 13 1 H1 SER 1 1H SER 1 -1.943 -15.328 0.021 2 H2 SER 1 2H SER 1 -2.763 -15.520 1.488 3 H3 SER 1 3H SER 1 -2.262 -16.877 0.612 4 HA SER 1 HA SER 1 -0.857 -16.441 2.527 5 HB2 SER 1 2HB SER 1 0.496 -16.069 -0.181 6 HB3 SER 1 3HB SER 1 1.295 -16.622 1.290 7 HG SER 1 HG SER 1 0.605 -18.299 -0.197 8 H GLN 2 H GLN 2 0.851 -15.113 3.420 9 HA GLN 2 HA GLN 2 0.230 -12.312 3.467 10 HB2 GLN 2 2HB GLN 2 0.899 -13.474 5.523 11 HB3 GLN 2 3HB GLN 2 2.453 -13.912 4.823 12 HG2 GLN 2 2HG GLN 2 2.735 -12.058 6.390 13 HG3 GLN 2 3HG GLN 2 3.095 -11.519 4.751 14 HE21 GLN 2 1HE2 GLN 2 0.902 -11.260 7.427 15 HE22 GLN 2 2HE2 GLN 2 0.055 -9.874 6.846 16 H GLU 3 H GLU 3 0.683 -11.422 1.451 17 HA GLU 3 HA GLU 3 3.537 -11.036 0.797 18 HB2 GLU 3 2HB GLU 3 1.445 -11.703 -1.326 19 HB3 GLU 3 3HB GLU 3 3.150 -11.368 -1.604 20 HG2 GLU 3 2HG GLU 3 3.755 -13.438 -0.403 21 HG3 GLU 3 3HG GLU 3 2.047 -13.781 -0.121 22 H THR 4 H THR 4 0.346 -10.130 -0.571 23 HA THR 4 HA THR 4 1.211 -7.512 -1.307 24 HB THR 4 HB THR 4 -0.512 -8.708 -2.599 25 HG1 THR 4 HG1 THR 4 -2.171 -6.782 -2.253 26 HG21 THR 4 1HG2 THR 4 -2.386 -8.251 -0.241 27 HG22 THR 4 2HG2 THR 4 -1.737 -9.818 -0.726 28 HG23 THR 4 3HG2 THR 4 -2.823 -8.944 -1.807 29 H ARG 5 H ARG 5 -0.504 -8.806 1.490 30 HA ARG 5 HA ARG 5 -1.372 -6.323 2.610 31 HB2 ARG 5 2HB ARG 5 -0.854 -8.975 4.008 32 HB3 ARG 5 3HB ARG 5 -1.752 -7.610 4.673 33 HG2 ARG 5 2HG ARG 5 -3.488 -7.887 2.991 34 HG3 ARG 5 3HG ARG 5 -2.579 -9.203 2.232 35 HD2 ARG 5 2HD ARG 5 -4.371 -10.059 3.672 36 HD3 ARG 5 3HD ARG 5 -2.789 -10.542 4.261 37 HE ARG 5 HE ARG 5 -2.983 -8.725 5.928 38 HH11 ARG 5 1HH1 ARG 5 -5.958 -10.004 4.549 39 HH12 ARG 5 2HH1 ARG 5 -6.923 -9.557 5.918 40 HH21 ARG 5 1HH2 ARG 5 -4.259 -8.151 7.718 41 HH22 ARG 5 2HH2 ARG 5 -5.952 -8.504 7.712 42 H LYS 6 H LYS 6 1.432 -8.433 3.098 43 HA LYS 6 HA LYS 6 2.895 -6.954 4.961 44 HB2 LYS 6 2HB LYS 6 3.692 -9.160 4.478 45 HB3 LYS 6 3HB LYS 6 3.744 -8.868 2.749 46 HG2 LYS 6 2HG LYS 6 5.583 -7.247 4.494 47 HG3 LYS 6 3HG LYS 6 5.980 -8.947 4.261 48 HD2 LYS 6 2HD LYS 6 6.488 -8.666 1.996 49 HD3 LYS 6 3HD LYS 6 5.376 -7.316 1.791 50 HE2 LYS 6 2HE LYS 6 7.653 -6.528 1.554 51 HE3 LYS 6 3HE LYS 6 6.965 -5.858 3.034 52 HZ1 LYS 6 1HZ LYS 6 8.835 -8.166 2.854 53 HZ2 LYS 6 2HZ LYS 6 8.143 -7.595 4.286 54 HZ3 LYS 6 3HZ LYS 6 9.205 -6.616 3.416 55 H LYS 7 H LYS 7 2.808 -6.728 1.411 56 HA LYS 7 HA LYS 7 4.745 -4.706 1.092 57 HB2 LYS 7 2HB LYS 7 3.925 -6.150 -0.766 58 HB3 LYS 7 3HB LYS 7 2.356 -5.348 -0.695 59 HG2 LYS 7 2HG LYS 7 3.455 -3.193 -1.319 60 HG3 LYS 7 3HG LYS 7 5.004 -4.035 -1.436 61 HD2 LYS 7 2HD LYS 7 2.539 -4.600 -3.126 62 HD3 LYS 7 3HD LYS 7 3.957 -3.698 -3.652 63 HE2 LYS 7 2HE LYS 7 5.343 -5.711 -3.449 64 HE3 LYS 7 3HE LYS 7 3.964 -6.622 -2.829 65 HZ1 LYS 7 1HZ LYS 7 4.183 -5.431 -5.541 66 HZ2 LYS 7 2HZ LYS 7 2.838 -6.261 -4.950 67 HZ3 LYS 7 3HZ LYS 7 4.306 -7.072 -5.156 68 H CYS 8 H CYS 8 1.230 -4.596 1.618 69 HA CYS 8 HA CYS 8 0.898 -1.792 1.356 70 HB2 CYS 8 2HB CYS 8 -0.996 -3.403 1.197 71 HB3 CYS 8 3HB CYS 8 -0.853 -3.718 2.928 72 H THR 9 H THR 9 1.709 -3.899 4.090 73 HA THR 9 HA THR 9 1.510 -1.992 6.182 74 HB THR 9 HB THR 9 3.370 -4.421 6.037 75 HG1 THR 9 HG1 THR 9 0.775 -4.417 5.964 76 HG21 THR 9 1HG2 THR 9 3.271 -4.359 8.521 77 HG22 THR 9 2HG2 THR 9 2.301 -2.888 8.444 78 HG23 THR 9 3HG2 THR 9 3.971 -2.869 7.875 79 H GLU 10 H GLU 10 4.182 -3.108 4.142 80 HA GLU 10 HA GLU 10 6.288 -1.550 5.070 81 HB2 GLU 10 2HB GLU 10 6.474 -3.510 3.479 82 HB3 GLU 10 3HB GLU 10 5.828 -2.487 2.203 83 HG2 GLU 10 2HG GLU 10 8.226 -2.570 1.949 84 HG3 GLU 10 3HG GLU 10 7.794 -0.947 2.502 85 H MET 11 H MET 11 3.790 -0.864 2.660 86 HA MET 11 HA MET 11 4.850 1.684 1.872 87 HB2 MET 11 2HB MET 11 2.124 0.435 1.378 88 HB3 MET 11 3HB MET 11 2.661 1.954 0.678 89 HG2 MET 11 2HG MET 11 3.899 -0.758 0.158 90 HG3 MET 11 3HG MET 11 2.811 0.104 -0.919 91 HE1 MET 11 1HE MET 11 7.326 0.743 -0.515 92 HE2 MET 11 2HE MET 11 6.420 -0.746 -0.254 93 HE3 MET 11 3HE MET 11 6.369 0.543 0.952 94 H LYS 12 H LYS 12 2.513 0.618 4.346 95 HA LYS 12 HA LYS 12 1.431 3.231 4.858 96 HB2 LYS 12 2HB LYS 12 1.450 0.713 6.558 97 HB3 LYS 12 3HB LYS 12 0.697 2.214 7.095 98 HG2 LYS 12 2HG LYS 12 -0.798 2.120 5.082 99 HG3 LYS 12 3HG LYS 12 -0.117 0.538 4.692 100 HD2 LYS 12 2HD LYS 12 -1.612 1.264 7.245 101 HD3 LYS 12 3HD LYS 12 -2.272 0.339 5.895 102 HE2 LYS 12 2HE LYS 12 -0.784 -1.508 6.337 103 HE3 LYS 12 3HE LYS 12 0.141 -0.563 7.505 104 HZ1 LYS 12 1HZ LYS 12 -1.297 -1.983 8.703 105 HZ2 LYS 12 2HZ LYS 12 -2.644 -1.526 7.798 106 HZ3 LYS 12 3HZ LYS 12 -1.924 -0.423 8.850 107 H LYS 13 H LYS 13 3.978 1.287 6.405 108 HA LYS 13 HA LYS 13 4.582 3.141 8.483 109 HB2 LYS 13 2HB LYS 13 6.598 1.710 8.884 110 HB3 LYS 13 3HB LYS 13 5.100 0.783 8.784 111 HG2 LYS 13 2HG LYS 13 5.675 0.301 6.365 112 HG3 LYS 13 3HG LYS 13 7.257 1.020 6.657 113 HD2 LYS 13 2HD LYS 13 6.172 -1.344 8.243 114 HD3 LYS 13 3HD LYS 13 7.124 -1.519 6.766 115 HE2 LYS 13 2HE LYS 13 8.066 -0.149 9.304 116 HE3 LYS 13 3HE LYS 13 8.514 -1.769 8.767 117 HZ1 LYS 13 1HZ LYS 13 9.122 0.776 7.360 118 HZ2 LYS 13 2HZ LYS 13 9.485 -0.765 6.764 119 HZ3 LYS 13 3HZ LYS 13 10.226 -0.213 8.179 120 H LYS 14 H LYS 14 5.886 2.640 5.229 121 HA LYS 14 HA LYS 14 8.030 4.570 5.538 122 HB2 LYS 14 2HB LYS 14 7.883 2.447 3.936 123 HB3 LYS 14 3HB LYS 14 7.025 3.531 2.857 124 HG2 LYS 14 2HG LYS 14 9.811 4.108 3.928 125 HG3 LYS 14 3HG LYS 14 9.520 3.239 2.420 126 HD2 LYS 14 2HD LYS 14 8.337 5.217 1.523 127 HD3 LYS 14 3HD LYS 14 8.633 6.084 3.031 128 HE2 LYS 14 2HE LYS 14 10.830 5.046 1.203 129 HE3 LYS 14 3HE LYS 14 10.202 6.694 1.171 130 HZ1 LYS 14 1HZ LYS 14 11.533 5.402 3.499 131 HZ2 LYS 14 2HZ LYS 14 10.939 6.982 3.456 132 HZ3 LYS 14 3HZ LYS 14 12.233 6.541 2.464 133 H PHE 15 H PHE 15 5.148 4.365 3.441 134 HA PHE 15 HA PHE 15 5.062 7.262 3.031 135 HB2 PHE 15 2HB PHE 15 3.329 5.056 1.852 136 HB3 PHE 15 3HB PHE 15 3.342 6.729 1.329 137 HD1 PHE 15 HD1 PHE 15 4.429 3.575 0.423 138 HD2 PHE 15 HD2 PHE 15 5.945 7.564 0.797 139 HE1 PHE 15 HE1 PHE 15 6.185 3.064 -1.210 140 HE2 PHE 15 HE2 PHE 15 7.703 7.035 -0.836 141 HZ PHE 15 HZ PHE 15 7.829 4.788 -1.842 142 H LYS 16 H LYS 16 4.601 7.160 5.522 143 HA LYS 16 HA LYS 16 1.925 6.736 6.407 144 HB2 LYS 16 2HB LYS 16 2.626 8.017 8.422 145 HB3 LYS 16 3HB LYS 16 3.774 6.750 7.998 146 HG2 LYS 16 2HG LYS 16 5.266 8.423 6.971 147 HG3 LYS 16 3HG LYS 16 4.122 9.706 7.365 148 HD2 LYS 16 2HD LYS 16 5.448 7.948 9.462 149 HD3 LYS 16 3HD LYS 16 6.135 9.472 8.909 150 HE2 LYS 16 2HE LYS 16 4.989 9.938 10.950 151 HE3 LYS 16 3HE LYS 16 3.986 10.600 9.664 152 HZ1 LYS 16 1HZ LYS 16 2.509 8.729 9.863 153 HZ2 LYS 16 2HZ LYS 16 2.732 9.410 11.393 154 HZ3 LYS 16 3HZ LYS 16 3.526 7.979 10.982 155 H ASN 17 H ASN 17 3.484 9.282 4.665 156 HA ASN 17 HA ASN 17 1.303 11.217 5.061 157 HB2 ASN 17 2HB ASN 17 3.958 11.441 3.567 158 HB3 ASN 17 3HB ASN 17 2.781 12.744 3.708 159 HD21 ASN 17 1HD2 ASN 17 5.226 10.923 5.372 160 HD22 ASN 17 2HD2 ASN 17 5.307 11.926 6.771 161 H CYS 18 H CYS 18 1.239 8.576 3.456 162 HA CYS 18 HA CYS 18 -0.215 9.689 1.139 163 HB2 CYS 18 2HB CYS 18 1.712 7.338 1.060 164 HB3 CYS 18 3HB CYS 18 0.609 7.773 -0.242 165 H GLU 19 H GLU 19 -1.987 8.439 0.453 166 HA GLU 19 HA GLU 19 -3.315 6.970 2.585 167 HB2 GLU 19 2HB GLU 19 -4.480 8.776 1.247 168 HB3 GLU 19 3HB GLU 19 -4.357 7.751 -0.172 169 HG2 GLU 19 2HG GLU 19 -5.759 6.033 0.985 170 HG3 GLU 19 3HG GLU 19 -5.954 7.147 2.343 171 H VAL 20 H VAL 20 -2.157 5.069 2.616 172 HA VAL 20 HA VAL 20 -1.591 3.510 0.227 173 HB VAL 20 HB VAL 20 -1.073 2.961 3.189 174 HG11 VAL 20 1HG1 VAL 20 0.466 1.175 2.410 175 HG12 VAL 20 2HG1 VAL 20 -0.048 1.464 0.746 176 HG13 VAL 20 3HG1 VAL 20 -1.200 0.842 1.930 177 HG21 VAL 20 1HG2 VAL 20 0.836 3.898 1.031 178 HG22 VAL 20 2HG2 VAL 20 1.224 3.622 2.729 179 HG23 VAL 20 3HG2 VAL 20 0.131 4.930 2.276 180 H ARG 21 H ARG 21 -3.172 2.232 -0.595 181 HA ARG 21 HA ARG 21 -5.388 1.242 1.084 182 HB2 ARG 21 2HB ARG 21 -5.145 1.489 -1.946 183 HB3 ARG 21 3HB ARG 21 -6.577 0.921 -1.087 184 HG2 ARG 21 2HG ARG 21 -6.849 3.144 -0.046 185 HG3 ARG 21 3HG ARG 21 -5.386 3.716 -0.863 186 HD2 ARG 21 2HD ARG 21 -6.444 3.373 -3.043 187 HD3 ARG 21 3HD ARG 21 -7.882 2.708 -2.268 188 HE ARG 21 HE ARG 21 -7.096 5.465 -1.637 189 HH11 ARG 21 1HH1 ARG 21 -9.321 3.304 -3.297 190 HH12 ARG 21 2HH1 ARG 21 -10.512 4.535 -3.577 191 HH21 ARG 21 1HH2 ARG 21 -8.656 7.094 -2.044 192 HH22 ARG 21 2HH2 ARG 21 -10.132 6.688 -2.860 193 H CYS 22 H CYS 22 -4.898 -0.740 1.877 194 HA CYS 22 HA CYS 22 -3.343 -2.741 0.578 195 HB2 CYS 22 2HB CYS 22 -5.375 -3.091 2.827 196 HB3 CYS 22 3HB CYS 22 -4.082 -4.212 2.406 197 H ASP 23 H ASP 23 -4.017 -4.584 -0.552 198 HA ASP 23 HA ASP 23 -6.828 -4.953 -1.246 199 HB2 ASP 23 2HB ASP 23 -6.267 -3.338 -2.944 200 HB3 ASP 23 3HB ASP 23 -4.719 -4.112 -3.267 201 H GLU 24 H GLU 24 -7.287 -6.987 -1.544 202 HA GLU 24 HA GLU 24 -5.163 -9.027 -1.878 203 HB2 GLU 24 2HB GLU 24 -7.796 -9.232 -0.342 204 HB3 GLU 24 3HB GLU 24 -6.589 -10.513 -0.489 205 HG2 GLU 24 2HG GLU 24 -4.995 -9.287 0.830 206 HG3 GLU 24 3HG GLU 24 -5.974 -7.821 0.780 207 H SER 25 H SER 25 -7.946 -7.593 -3.238 208 HA SER 25 HA SER 25 -9.150 -9.859 -4.517 209 HB2 SER 25 2HB SER 25 -9.326 -6.896 -5.250 210 HB3 SER 25 3HB SER 25 -10.425 -8.163 -5.798 211 HG SER 25 HG SER 25 -11.283 -8.299 -3.818 212 H ASN 26 H ASN 26 -7.184 -7.170 -5.817 213 HA ASN 26 HA ASN 26 -6.404 -8.769 -8.173 214 HB2 ASN 26 2HB ASN 26 -7.335 -6.486 -8.533 215 HB3 ASN 26 3HB ASN 26 -6.043 -5.798 -7.558 216 HD21 ASN 26 1HD2 ASN 26 -6.748 -7.493 -10.587 217 HD22 ASN 26 2HD2 ASN 26 -5.350 -6.924 -11.422 218 H HIS 27 H HIS 27 -5.287 -7.943 -5.095 219 HA HIS 27 HA HIS 27 -3.404 -8.259 -3.908 220 HB2 HIS 27 2HB HIS 27 -2.350 -9.827 -6.309 221 HB3 HIS 27 3HB HIS 27 -1.655 -9.844 -4.696 222 HD1 HIS 27 HD1 HIS 27 -2.796 -11.323 -2.919 223 HD2 HIS 27 HD2 HIS 27 -4.691 -11.378 -6.617 224 HE1 HIS 27 HE1 HIS 27 -4.383 -13.262 -2.840 225 HE2 HIS 27 HE2 HIS 27 -5.645 -13.144 -5.010 226 H CYS 28 H CYS 28 -3.624 -5.822 -5.022 227 HA CYS 28 HA CYS 28 -0.879 -5.007 -5.632 228 HB2 CYS 28 2HB CYS 28 -3.230 -4.452 -7.486 229 HB3 CYS 28 3HB CYS 28 -1.666 -3.640 -7.592 230 H VAL 29 H VAL 29 -0.365 -3.257 -4.518 231 HA VAL 29 HA VAL 29 -2.388 -2.005 -2.817 232 HB VAL 29 HB VAL 29 0.670 -1.899 -2.757 233 HG11 VAL 29 1HG1 VAL 29 -1.287 -0.872 -0.665 234 HG12 VAL 29 2HG1 VAL 29 -0.249 0.123 -1.691 235 HG13 VAL 29 3HG1 VAL 29 0.470 -0.944 -0.484 236 HG21 VAL 29 1HG2 VAL 29 -0.217 -4.152 -2.301 237 HG22 VAL 29 2HG2 VAL 29 -1.260 -3.496 -1.034 238 HG23 VAL 29 3HG2 VAL 29 0.495 -3.450 -0.846 239 H GLU 30 H GLU 30 -3.333 -0.227 -3.640 240 HA GLU 30 HA GLU 30 -1.900 1.660 -5.347 241 HB2 GLU 30 2HB GLU 30 -4.269 1.160 -5.903 242 HB3 GLU 30 3HB GLU 30 -4.772 1.750 -4.318 243 HG2 GLU 30 2HG GLU 30 -3.790 4.002 -4.930 244 HG3 GLU 30 3HG GLU 30 -3.512 3.375 -6.545 245 H VAL 31 H VAL 31 -0.605 3.046 -4.313 246 HA VAL 31 HA VAL 31 -1.313 4.158 -1.685 247 HB VAL 31 HB VAL 31 1.282 4.452 -3.248 248 HG11 VAL 31 1HG1 VAL 31 0.640 4.999 -0.336 249 HG12 VAL 31 2HG1 VAL 31 0.990 6.200 -1.584 250 HG13 VAL 31 3HG1 VAL 31 2.252 5.086 -1.055 251 HG21 VAL 31 1HG2 VAL 31 0.660 2.438 -1.061 252 HG22 VAL 31 2HG2 VAL 31 2.242 2.702 -1.807 253 HG23 VAL 31 3HG2 VAL 31 0.905 2.073 -2.773 254 H ARG 32 H ARG 32 -2.567 5.904 -1.906 255 HA ARG 32 HA ARG 32 -2.310 7.728 -4.202 256 HB2 ARG 32 2HB ARG 32 -4.515 6.646 -3.864 257 HB3 ARG 32 3HB ARG 32 -4.601 7.306 -2.231 258 HG2 ARG 32 2HG ARG 32 -4.741 9.582 -3.114 259 HG3 ARG 32 3HG ARG 32 -4.510 8.985 -4.755 260 HD2 ARG 32 2HD ARG 32 -6.879 8.400 -2.948 261 HD3 ARG 32 3HD ARG 32 -6.872 9.473 -4.351 262 HE ARG 32 HE ARG 32 -6.613 6.513 -4.442 263 HH11 ARG 32 1HH1 ARG 32 -7.467 9.526 -6.073 264 HH12 ARG 32 2HH1 ARG 32 -8.095 8.724 -7.477 265 HH21 ARG 32 1HH2 ARG 32 -7.451 5.490 -6.296 266 HH22 ARG 32 2HH2 ARG 32 -8.089 6.445 -7.596 267 H CYS 33 H CYS 33 -0.564 8.990 -3.437 268 HA CYS 33 HA CYS 33 -0.428 10.122 -0.830 269 HB2 CYS 33 2HB CYS 33 0.975 10.968 -3.387 270 HB3 CYS 33 3HB CYS 33 1.381 11.551 -1.773 271 H SER 34 H SER 34 -0.826 11.961 -3.879 272 HA SER 34 HA SER 34 -3.272 13.165 -3.468 273 HB2 SER 34 2HB SER 34 -2.129 14.296 -1.475 274 HB3 SER 34 3HB SER 34 -1.058 15.114 -2.611 275 HG SER 34 HG SER 34 -2.904 16.097 -3.511 276 H ASP 35 H ASP 35 0.031 13.726 -4.472 277 HA ASP 35 HA ASP 35 -0.738 14.986 -7.024 278 HB2 ASP 35 2HB ASP 35 0.852 16.302 -5.800 279 HB3 ASP 35 3HB ASP 35 1.818 14.895 -5.375 280 H THR 36 H THR 36 1.004 12.184 -5.673 281 HA THR 36 HA THR 36 2.132 11.451 -8.264 282 HB THR 36 HB THR 36 3.276 9.614 -6.889 283 HG1 THR 36 HG1 THR 36 3.206 10.182 -4.537 284 HG21 THR 36 1HG2 THR 36 3.726 12.490 -5.965 285 HG22 THR 36 2HG2 THR 36 4.459 11.735 -7.383 286 HG23 THR 36 3HG2 THR 36 4.868 11.152 -5.768 287 H LYS 37 H LYS 37 0.525 9.484 -5.732 288 HA LYS 37 HA LYS 37 -0.842 7.708 -5.760 289 HB2 LYS 37 2HB LYS 37 -2.344 9.517 -6.833 290 HB3 LYS 37 3HB LYS 37 -2.030 8.739 -8.371 291 HG2 LYS 37 2HG LYS 37 -3.231 7.229 -6.028 292 HG3 LYS 37 3HG LYS 37 -4.236 8.174 -7.124 293 HD2 LYS 37 2HD LYS 37 -2.458 5.839 -7.960 294 HD3 LYS 37 3HD LYS 37 -4.199 5.739 -7.673 295 HE2 LYS 37 2HE LYS 37 -4.606 7.332 -9.515 296 HE3 LYS 37 3HE LYS 37 -2.867 7.471 -9.796 297 HZ1 LYS 37 1HZ LYS 37 -3.834 5.943 -11.355 298 HZ2 LYS 37 2HZ LYS 37 -4.512 5.019 -10.112 299 HZ3 LYS 37 3HZ LYS 37 -2.836 5.088 -10.297 300 H TYR 38 H TYR 38 0.484 6.019 -5.981 301 HA TYR 38 HA TYR 38 1.113 4.891 -8.651 302 HB2 TYR 38 2HB TYR 38 3.373 4.187 -7.587 303 HB3 TYR 38 3HB TYR 38 3.192 5.875 -8.013 304 HD1 TYR 38 HD1 TYR 38 3.587 3.529 -5.217 305 HD2 TYR 38 HD2 TYR 38 2.904 7.612 -6.267 306 HE1 TYR 38 HE1 TYR 38 4.094 4.198 -2.920 307 HE2 TYR 38 HE2 TYR 38 3.446 8.288 -3.989 308 HH TYR 38 HH TYR 38 3.460 7.369 -1.776 309 H THR 39 H THR 39 1.174 2.625 -8.721 310 HA THR 39 HA THR 39 -0.014 1.260 -6.377 311 HB THR 39 HB THR 39 -0.486 0.649 -9.329 312 HG1 THR 39 HG1 THR 39 -1.483 2.624 -8.230 313 HG21 THR 39 1HG2 THR 39 -2.251 -0.895 -8.502 314 HG22 THR 39 2HG2 THR 39 -1.777 -0.549 -6.840 315 HG23 THR 39 3HG2 THR 39 -0.654 -1.387 -7.913 316 H LEU 40 H LEU 40 1.672 0.233 -5.464 317 HA LEU 40 HA LEU 40 3.663 -1.255 -6.944 318 HB2 LEU 40 2HB LEU 40 2.972 -1.078 -3.986 319 HB3 LEU 40 3HB LEU 40 4.144 -2.236 -4.598 320 HG LEU 40 HG LEU 40 5.296 -0.091 -5.642 321 HD11 LEU 40 1HD1 LEU 40 3.540 1.503 -5.099 322 HD12 LEU 40 2HD1 LEU 40 5.049 1.932 -4.294 323 HD13 LEU 40 3HD1 LEU 40 3.744 1.175 -3.374 324 HD21 LEU 40 1HD2 LEU 40 5.475 -0.730 -2.682 325 HD22 LEU 40 2HD2 LEU 40 6.678 0.151 -3.628 326 HD23 LEU 40 3HD2 LEU 40 6.349 -1.542 -3.986 327 H CYS 41 H CYS 41 2.687 -2.718 -8.207 328 HA CYS 41 HA CYS 41 0.461 -4.360 -7.217 329 HB2 CYS 41 2HB CYS 41 0.120 -2.935 -9.233 330 HB3 CYS 41 3HB CYS 41 1.384 -3.827 -10.064 Start of MODEL 14 1 H1 SER 1 1H SER 1 -0.908 -16.382 0.561 2 H2 SER 1 2H SER 1 -1.786 -16.635 1.981 3 H3 SER 1 3H SER 1 -0.791 -17.857 1.370 4 HA SER 1 HA SER 1 0.179 -16.712 3.286 5 HB2 SER 1 2HB SER 1 1.611 -17.821 1.574 6 HB3 SER 1 3HB SER 1 1.662 -16.327 0.644 7 HG SER 1 HG SER 1 3.393 -15.990 1.791 8 H GLN 2 H GLN 2 1.725 -14.696 3.634 9 HA GLN 2 HA GLN 2 0.142 -12.262 3.183 10 HB2 GLN 2 2HB GLN 2 0.967 -12.967 5.483 11 HB3 GLN 2 3HB GLN 2 2.609 -12.646 4.935 12 HG2 GLN 2 2HG GLN 2 1.973 -10.274 4.539 13 HG3 GLN 2 3HG GLN 2 0.363 -10.619 5.162 14 HE21 GLN 2 1HE2 GLN 2 0.108 -11.030 7.405 15 HE22 GLN 2 2HE2 GLN 2 1.324 -10.584 8.546 16 H GLU 3 H GLU 3 0.650 -12.204 0.954 17 HA GLU 3 HA GLU 3 3.372 -11.710 0.004 18 HB2 GLU 3 2HB GLU 3 1.954 -13.254 -1.264 19 HB3 GLU 3 3HB GLU 3 0.681 -12.049 -1.381 20 HG2 GLU 3 2HG GLU 3 2.601 -10.680 -2.670 21 HG3 GLU 3 3HG GLU 3 3.225 -12.303 -2.962 22 H THR 4 H THR 4 0.316 -10.166 -0.917 23 HA THR 4 HA THR 4 1.591 -7.618 -1.405 24 HB THR 4 HB THR 4 0.024 -8.404 -3.040 25 HG1 THR 4 HG1 THR 4 -0.377 -6.350 -3.196 26 HG21 THR 4 1HG2 THR 4 -2.355 -8.809 -2.598 27 HG22 THR 4 2HG2 THR 4 -2.113 -8.485 -0.880 28 HG23 THR 4 3HG2 THR 4 -1.354 -9.894 -1.632 29 H ARG 5 H ARG 5 -0.354 -9.070 1.092 30 HA ARG 5 HA ARG 5 -1.247 -6.701 2.411 31 HB2 ARG 5 2HB ARG 5 -0.998 -9.582 3.340 32 HB3 ARG 5 3HB ARG 5 -1.608 -8.309 4.392 33 HG2 ARG 5 2HG ARG 5 -3.495 -7.910 2.887 34 HG3 ARG 5 3HG ARG 5 -2.866 -9.094 1.736 35 HD2 ARG 5 2HD ARG 5 -3.186 -10.894 3.350 36 HD3 ARG 5 3HD ARG 5 -3.678 -9.746 4.593 37 HE ARG 5 HE ARG 5 -5.525 -9.312 2.687 38 HH11 ARG 5 1HH1 ARG 5 -4.358 -12.336 4.084 39 HH12 ARG 5 2HH1 ARG 5 -5.872 -13.153 3.875 40 HH21 ARG 5 1HH2 ARG 5 -7.526 -10.384 2.528 41 HH22 ARG 5 2HH2 ARG 5 -7.657 -12.048 2.997 42 H LYS 6 H LYS 6 1.748 -8.660 2.727 43 HA LYS 6 HA LYS 6 2.749 -7.218 5.007 44 HB2 LYS 6 2HB LYS 6 4.770 -8.442 4.779 45 HB3 LYS 6 3HB LYS 6 3.544 -9.545 4.187 46 HG2 LYS 6 2HG LYS 6 5.069 -9.879 2.517 47 HG3 LYS 6 3HG LYS 6 4.271 -8.469 1.819 48 HD2 LYS 6 2HD LYS 6 6.148 -7.128 3.185 49 HD3 LYS 6 3HD LYS 6 6.992 -8.676 3.137 50 HE2 LYS 6 2HE LYS 6 6.799 -8.651 0.653 51 HE3 LYS 6 3HE LYS 6 6.036 -7.058 0.758 52 HZ1 LYS 6 1HZ LYS 6 8.062 -6.207 1.771 53 HZ2 LYS 6 2HZ LYS 6 8.384 -6.876 0.256 54 HZ3 LYS 6 3HZ LYS 6 8.789 -7.727 1.658 55 H LYS 7 H LYS 7 2.768 -6.771 1.556 56 HA LYS 7 HA LYS 7 4.682 -4.647 1.395 57 HB2 LYS 7 2HB LYS 7 4.146 -6.125 -0.500 58 HB3 LYS 7 3HB LYS 7 2.491 -5.533 -0.526 59 HG2 LYS 7 2HG LYS 7 3.301 -3.287 -1.178 60 HG3 LYS 7 3HG LYS 7 4.969 -3.870 -1.120 61 HD2 LYS 7 2HD LYS 7 2.791 -4.892 -2.990 62 HD3 LYS 7 3HD LYS 7 4.108 -3.808 -3.444 63 HE2 LYS 7 2HE LYS 7 5.750 -5.566 -2.963 64 HE3 LYS 7 3HE LYS 7 4.466 -6.642 -2.408 65 HZ1 LYS 7 1HZ LYS 7 4.801 -5.616 -5.165 66 HZ2 LYS 7 2HZ LYS 7 3.540 -6.604 -4.639 67 HZ3 LYS 7 3HZ LYS 7 5.124 -7.182 -4.628 68 H CYS 8 H CYS 8 1.188 -4.855 1.884 69 HA CYS 8 HA CYS 8 0.482 -2.136 1.755 70 HB2 CYS 8 2HB CYS 8 -1.454 -3.365 1.980 71 HB3 CYS 8 3HB CYS 8 -0.674 -4.604 2.950 72 H THR 9 H THR 9 1.573 -4.134 4.492 73 HA THR 9 HA THR 9 1.697 -2.206 6.514 74 HB THR 9 HB THR 9 3.562 -4.606 6.127 75 HG1 THR 9 HG1 THR 9 0.882 -4.516 6.473 76 HG21 THR 9 1HG2 THR 9 4.222 -3.111 8.010 77 HG22 THR 9 2HG2 THR 9 3.645 -4.667 8.596 78 HG23 THR 9 3HG2 THR 9 2.589 -3.259 8.690 79 H GLU 10 H GLU 10 4.057 -3.249 4.128 80 HA GLU 10 HA GLU 10 6.316 -1.782 4.915 81 HB2 GLU 10 2HB GLU 10 6.347 -3.763 3.430 82 HB3 GLU 10 3HB GLU 10 5.506 -2.851 2.180 83 HG2 GLU 10 2HG GLU 10 7.450 -1.328 2.021 84 HG3 GLU 10 3HG GLU 10 8.296 -2.304 3.224 85 H MET 11 H MET 11 3.687 -1.004 2.664 86 HA MET 11 HA MET 11 4.878 1.443 1.719 87 HB2 MET 11 2HB MET 11 2.100 0.277 1.348 88 HB3 MET 11 3HB MET 11 2.607 1.797 0.633 89 HG2 MET 11 2HG MET 11 3.827 -0.909 0.031 90 HG3 MET 11 3HG MET 11 2.649 -0.069 -0.969 91 HE1 MET 11 1HE MET 11 6.289 0.411 0.652 92 HE2 MET 11 2HE MET 11 7.163 0.643 -0.862 93 HE3 MET 11 3HE MET 11 6.295 -0.863 -0.570 94 H LYS 12 H LYS 12 2.536 0.591 4.271 95 HA LYS 12 HA LYS 12 1.609 3.286 4.676 96 HB2 LYS 12 2HB LYS 12 1.321 0.789 6.390 97 HB3 LYS 12 3HB LYS 12 0.681 2.356 6.888 98 HG2 LYS 12 2HG LYS 12 -0.601 2.397 4.699 99 HG3 LYS 12 3HG LYS 12 -0.132 0.718 4.472 100 HD2 LYS 12 2HD LYS 12 -1.418 0.009 6.372 101 HD3 LYS 12 3HD LYS 12 -1.637 1.667 6.943 102 HE2 LYS 12 2HE LYS 12 -3.050 2.171 4.996 103 HE3 LYS 12 3HE LYS 12 -2.789 0.549 4.362 104 HZ1 LYS 12 1HZ LYS 12 -4.940 0.850 5.499 105 HZ2 LYS 12 2HZ LYS 12 -4.119 1.124 6.950 106 HZ3 LYS 12 3HZ LYS 12 -3.996 -0.372 6.182 107 H LYS 13 H LYS 13 4.117 1.285 6.225 108 HA LYS 13 HA LYS 13 4.695 3.117 8.324 109 HB2 LYS 13 2HB LYS 13 6.675 1.774 8.773 110 HB3 LYS 13 3HB LYS 13 5.304 0.723 8.446 111 HG2 LYS 13 2HG LYS 13 6.162 0.378 6.128 112 HG3 LYS 13 3HG LYS 13 7.574 1.359 6.530 113 HD2 LYS 13 2HD LYS 13 8.103 -1.040 6.689 114 HD3 LYS 13 3HD LYS 13 8.223 -0.277 8.277 115 HE2 LYS 13 2HE LYS 13 6.014 -1.182 8.886 116 HE3 LYS 13 3HE LYS 13 5.847 -1.884 7.276 117 HZ1 LYS 13 1HZ LYS 13 8.043 -2.601 9.119 118 HZ2 LYS 13 2HZ LYS 13 7.563 -3.407 7.711 119 HZ3 LYS 13 3HZ LYS 13 6.569 -3.422 9.077 120 H LYS 14 H LYS 14 5.886 2.804 5.026 121 HA LYS 14 HA LYS 14 8.033 4.739 5.382 122 HB2 LYS 14 2HB LYS 14 8.257 2.751 3.858 123 HB3 LYS 14 3HB LYS 14 7.004 3.425 2.827 124 HG2 LYS 14 2HG LYS 14 8.418 5.329 2.258 125 HG3 LYS 14 3HG LYS 14 9.649 4.814 3.418 126 HD2 LYS 14 2HD LYS 14 10.032 2.756 2.085 127 HD3 LYS 14 3HD LYS 14 8.804 3.275 0.927 128 HE2 LYS 14 2HE LYS 14 11.045 3.740 0.066 129 HE3 LYS 14 3HE LYS 14 10.184 5.248 0.370 130 HZ1 LYS 14 1HZ LYS 14 12.143 4.045 2.250 131 HZ2 LYS 14 2HZ LYS 14 11.422 5.573 2.370 132 HZ3 LYS 14 3HZ LYS 14 12.515 5.249 1.124 133 H PHE 15 H PHE 15 4.822 4.559 3.932 134 HA PHE 15 HA PHE 15 4.919 7.421 3.144 135 HB2 PHE 15 2HB PHE 15 3.232 5.203 1.897 136 HB3 PHE 15 3HB PHE 15 3.370 6.855 1.319 137 HD1 PHE 15 HD1 PHE 15 4.393 3.605 0.638 138 HD2 PHE 15 HD2 PHE 15 6.028 7.559 0.921 139 HE1 PHE 15 HE1 PHE 15 6.260 2.932 -0.799 140 HE2 PHE 15 HE2 PHE 15 7.903 6.868 -0.521 141 HZ PHE 15 HZ PHE 15 8.021 4.556 -1.384 142 H LYS 16 H LYS 16 4.372 7.191 5.647 143 HA LYS 16 HA LYS 16 1.683 6.713 6.444 144 HB2 LYS 16 2HB LYS 16 2.318 7.863 8.533 145 HB3 LYS 16 3HB LYS 16 3.577 6.738 8.031 146 HG2 LYS 16 2HG LYS 16 4.859 8.658 7.066 147 HG3 LYS 16 3HG LYS 16 3.632 9.760 7.685 148 HD2 LYS 16 2HD LYS 16 5.558 9.733 9.177 149 HD3 LYS 16 3HD LYS 16 4.165 9.025 9.998 150 HE2 LYS 16 2HE LYS 16 5.044 6.772 9.624 151 HE3 LYS 16 3HE LYS 16 6.368 7.422 8.652 152 HZ1 LYS 16 1HZ LYS 16 5.954 8.090 11.510 153 HZ2 LYS 16 2HZ LYS 16 7.303 8.454 10.559 154 HZ3 LYS 16 3HZ LYS 16 6.968 6.853 10.974 155 H ASN 17 H ASN 17 3.198 9.367 4.821 156 HA ASN 17 HA ASN 17 0.992 11.261 5.301 157 HB2 ASN 17 2HB ASN 17 3.646 11.530 3.816 158 HB3 ASN 17 3HB ASN 17 2.452 12.820 3.920 159 HD21 ASN 17 1HD2 ASN 17 4.890 11.036 5.647 160 HD22 ASN 17 2HD2 ASN 17 4.953 12.071 7.022 161 H CYS 18 H CYS 18 0.809 8.686 3.649 162 HA CYS 18 HA CYS 18 -0.346 9.850 1.195 163 HB2 CYS 18 2HB CYS 18 1.532 7.451 1.191 164 HB3 CYS 18 3HB CYS 18 0.798 8.219 -0.210 165 H GLU 19 H GLU 19 -2.130 8.685 0.380 166 HA GLU 19 HA GLU 19 -3.514 7.001 2.279 167 HB2 GLU 19 2HB GLU 19 -4.693 8.749 0.874 168 HB3 GLU 19 3HB GLU 19 -4.385 7.763 -0.540 169 HG2 GLU 19 2HG GLU 19 -5.732 5.923 0.461 170 HG3 GLU 19 3HG GLU 19 -6.082 6.954 1.849 171 H VAL 20 H VAL 20 -2.110 5.241 2.335 172 HA VAL 20 HA VAL 20 -1.574 3.581 0.014 173 HB VAL 20 HB VAL 20 -1.059 3.142 2.996 174 HG11 VAL 20 1HG1 VAL 20 -0.041 1.518 0.631 175 HG12 VAL 20 2HG1 VAL 20 -1.218 0.973 1.828 176 HG13 VAL 20 3HG1 VAL 20 0.445 1.297 2.316 177 HG21 VAL 20 1HG2 VAL 20 0.852 3.975 0.790 178 HG22 VAL 20 2HG2 VAL 20 1.281 3.695 2.480 179 HG23 VAL 20 3HG2 VAL 20 0.210 5.031 2.050 180 H ARG 21 H ARG 21 -3.113 2.245 -0.732 181 HA ARG 21 HA ARG 21 -5.360 1.340 0.942 182 HB2 ARG 21 2HB ARG 21 -5.086 1.400 -2.103 183 HB3 ARG 21 3HB ARG 21 -6.533 0.930 -1.208 184 HG2 ARG 21 2HG ARG 21 -6.770 3.217 -0.346 185 HG3 ARG 21 3HG ARG 21 -5.283 3.703 -1.172 186 HD2 ARG 21 2HD ARG 21 -6.314 3.267 -3.346 187 HD3 ARG 21 3HD ARG 21 -7.776 2.654 -2.561 188 HE ARG 21 HE ARG 21 -6.972 5.410 -1.991 189 HH11 ARG 21 1HH1 ARG 21 -9.147 3.271 -3.776 190 HH12 ARG 21 2HH1 ARG 21 -10.289 4.532 -4.111 191 HH21 ARG 21 1HH2 ARG 21 -8.496 7.024 -2.428 192 HH22 ARG 21 2HH2 ARG 21 -9.914 6.652 -3.350 193 H CYS 22 H CYS 22 -4.746 -0.550 1.851 194 HA CYS 22 HA CYS 22 -3.121 -2.553 0.650 195 HB2 CYS 22 2HB CYS 22 -5.086 -2.896 2.954 196 HB3 CYS 22 3HB CYS 22 -3.634 -3.843 2.627 197 H ASP 23 H ASP 23 -3.748 -4.456 -0.411 198 HA ASP 23 HA ASP 23 -6.549 -5.182 -0.752 199 HB2 ASP 23 2HB ASP 23 -6.312 -3.448 -2.491 200 HB3 ASP 23 3HB ASP 23 -4.855 -4.218 -3.108 201 H GLU 24 H GLU 24 -6.821 -7.225 -1.651 202 HA GLU 24 HA GLU 24 -4.514 -8.856 -2.438 203 HB2 GLU 24 2HB GLU 24 -5.059 -10.672 -0.938 204 HB3 GLU 24 3HB GLU 24 -4.866 -9.219 0.029 205 HG2 GLU 24 2HG GLU 24 -7.535 -10.411 -0.799 206 HG3 GLU 24 3HG GLU 24 -6.749 -10.679 0.752 207 H SER 25 H SER 25 -7.466 -7.683 -3.160 208 HA SER 25 HA SER 25 -8.898 -9.959 -4.136 209 HB2 SER 25 2HB SER 25 -9.226 -7.050 -5.007 210 HB3 SER 25 3HB SER 25 -10.436 -8.333 -5.084 211 HG SER 25 HG SER 25 -9.498 -6.878 -2.868 212 H ASN 26 H ASN 26 -7.332 -7.249 -5.843 213 HA ASN 26 HA ASN 26 -6.581 -9.007 -8.115 214 HB2 ASN 26 2HB ASN 26 -6.133 -6.850 -9.317 215 HB3 ASN 26 3HB ASN 26 -7.801 -6.989 -8.771 216 HD21 ASN 26 1HD2 ASN 26 -8.490 -5.685 -6.996 217 HD22 ASN 26 2HD2 ASN 26 -7.619 -4.271 -6.526 218 H HIS 27 H HIS 27 -5.364 -7.943 -5.228 219 HA HIS 27 HA HIS 27 -3.385 -8.088 -4.187 220 HB2 HIS 27 2HB HIS 27 -2.454 -9.483 -6.737 221 HB3 HIS 27 3HB HIS 27 -1.476 -9.360 -5.282 222 HD1 HIS 27 HD1 HIS 27 -1.665 -11.261 -3.711 223 HD2 HIS 27 HD2 HIS 27 -4.957 -11.015 -6.232 224 HE1 HIS 27 HE1 HIS 27 -3.057 -13.286 -3.207 225 HE2 HIS 27 HE2 HIS 27 -5.118 -13.016 -4.623 226 H CYS 28 H CYS 28 -3.897 -5.619 -5.010 227 HA CYS 28 HA CYS 28 -1.252 -4.561 -5.766 228 HB2 CYS 28 2HB CYS 28 -3.831 -3.747 -7.138 229 HB3 CYS 28 3HB CYS 28 -2.304 -2.894 -7.305 230 H VAL 29 H VAL 29 -0.619 -3.152 -4.319 231 HA VAL 29 HA VAL 29 -2.496 -1.789 -2.534 232 HB VAL 29 HB VAL 29 0.568 -1.897 -2.559 233 HG11 VAL 29 1HG1 VAL 29 -0.186 0.159 -1.440 234 HG12 VAL 29 2HG1 VAL 29 0.481 -0.973 -0.265 235 HG13 VAL 29 3HG1 VAL 29 -1.269 -0.781 -0.406 236 HG21 VAL 29 1HG2 VAL 29 -0.441 -4.099 -2.091 237 HG22 VAL 29 2HG2 VAL 29 -1.406 -3.395 -0.790 238 HG23 VAL 29 3HG2 VAL 29 0.354 -3.453 -0.652 239 H GLU 30 H GLU 30 -3.321 0.109 -3.284 240 HA GLU 30 HA GLU 30 -1.818 1.773 -5.187 241 HB2 GLU 30 2HB GLU 30 -4.196 1.342 -5.733 242 HB3 GLU 30 3HB GLU 30 -4.692 2.061 -4.201 243 HG2 GLU 30 2HG GLU 30 -3.632 4.231 -4.974 244 HG3 GLU 30 3HG GLU 30 -3.369 3.479 -6.541 245 H VAL 31 H VAL 31 -0.445 3.166 -4.259 246 HA VAL 31 HA VAL 31 -1.128 4.533 -1.741 247 HB VAL 31 HB VAL 31 1.448 4.608 -3.363 248 HG11 VAL 31 1HG1 VAL 31 1.233 6.552 -1.904 249 HG12 VAL 31 2HG1 VAL 31 2.498 5.480 -1.304 250 HG13 VAL 31 3HG1 VAL 31 0.918 5.510 -0.512 251 HG21 VAL 31 1HG2 VAL 31 0.808 2.866 -0.958 252 HG22 VAL 31 2HG2 VAL 31 2.391 3.014 -1.736 253 HG23 VAL 31 3HG2 VAL 31 1.036 2.315 -2.626 254 H ARG 32 H ARG 32 -2.406 6.190 -2.153 255 HA ARG 32 HA ARG 32 -1.979 8.017 -4.433 256 HB2 ARG 32 2HB ARG 32 -4.217 6.964 -4.301 257 HB3 ARG 32 3HB ARG 32 -4.409 7.535 -2.645 258 HG2 ARG 32 2HG ARG 32 -4.306 9.902 -3.512 259 HG3 ARG 32 3HG ARG 32 -4.269 9.247 -5.143 260 HD2 ARG 32 2HD ARG 32 -6.504 8.951 -3.124 261 HD3 ARG 32 3HD ARG 32 -6.526 9.938 -4.588 262 HE ARG 32 HE ARG 32 -6.104 7.079 -4.986 263 HH11 ARG 32 1HH1 ARG 32 -8.474 9.690 -4.902 264 HH12 ARG 32 2HH1 ARG 32 -9.645 8.806 -5.817 265 HH21 ARG 32 1HH2 ARG 32 -7.673 5.924 -6.120 266 HH22 ARG 32 2HH2 ARG 32 -9.193 6.670 -6.503 267 H CYS 33 H CYS 33 -0.359 9.336 -3.529 268 HA CYS 33 HA CYS 33 -0.640 10.314 -0.785 269 HB2 CYS 33 2HB CYS 33 1.570 9.527 -1.968 270 HB3 CYS 33 3HB CYS 33 1.579 11.144 -2.644 271 H SER 34 H SER 34 0.232 12.061 -3.811 272 HA SER 34 HA SER 34 -2.052 13.722 -3.901 273 HB2 SER 34 2HB SER 34 -1.023 14.817 -1.908 274 HB3 SER 34 3HB SER 34 0.455 15.114 -2.820 275 HG SER 34 HG SER 34 -0.560 16.643 -3.994 276 H ASP 35 H ASP 35 1.432 13.973 -4.494 277 HA ASP 35 HA ASP 35 1.002 14.953 -7.252 278 HB2 ASP 35 2HB ASP 35 2.303 16.361 -5.623 279 HB3 ASP 35 3HB ASP 35 3.471 15.058 -5.444 280 H THR 36 H THR 36 1.537 12.055 -5.748 281 HA THR 36 HA THR 36 3.525 11.049 -7.706 282 HB THR 36 HB THR 36 3.876 9.203 -5.995 283 HG1 THR 36 HG1 THR 36 3.121 10.241 -3.791 284 HG21 THR 36 1HG2 THR 36 4.441 12.031 -5.012 285 HG22 THR 36 2HG2 THR 36 5.461 11.090 -6.103 286 HG23 THR 36 3HG2 THR 36 5.237 10.560 -4.437 287 H LYS 37 H LYS 37 1.063 9.386 -5.728 288 HA LYS 37 HA LYS 37 -0.396 7.740 -6.108 289 HB2 LYS 37 2HB LYS 37 -1.619 9.603 -7.203 290 HB3 LYS 37 3HB LYS 37 -0.911 9.148 -8.748 291 HG2 LYS 37 2HG LYS 37 -2.067 6.950 -8.626 292 HG3 LYS 37 3HG LYS 37 -2.769 7.410 -7.071 293 HD2 LYS 37 2HD LYS 37 -3.250 8.867 -9.702 294 HD3 LYS 37 3HD LYS 37 -4.357 7.694 -8.986 295 HE2 LYS 37 2HE LYS 37 -4.741 9.142 -7.071 296 HE3 LYS 37 3HE LYS 37 -3.501 10.272 -7.621 297 HZ1 LYS 37 1HZ LYS 37 -6.070 9.683 -8.986 298 HZ2 LYS 37 2HZ LYS 37 -4.864 10.700 -9.591 299 HZ3 LYS 37 3HZ LYS 37 -5.666 11.104 -8.162 300 H TYR 38 H TYR 38 0.831 5.944 -6.183 301 HA TYR 38 HA TYR 38 1.345 4.692 -8.806 302 HB2 TYR 38 2HB TYR 38 3.509 3.709 -7.735 303 HB3 TYR 38 3HB TYR 38 3.558 5.368 -8.286 304 HD1 TYR 38 HD1 TYR 38 3.201 3.285 -5.215 305 HD2 TYR 38 HD2 TYR 38 4.110 7.143 -6.796 306 HE1 TYR 38 HE1 TYR 38 3.914 4.010 -2.993 307 HE2 TYR 38 HE2 TYR 38 4.839 7.873 -4.568 308 HH TYR 38 HH TYR 38 5.282 5.682 -1.977 309 H THR 39 H THR 39 1.468 2.334 -8.658 310 HA THR 39 HA THR 39 0.012 1.222 -6.329 311 HB THR 39 HB THR 39 -0.584 0.639 -9.272 312 HG1 THR 39 HG1 THR 39 -1.718 2.396 -7.382 313 HG21 THR 39 1HG2 THR 39 -2.034 -0.266 -6.761 314 HG22 THR 39 2HG2 THR 39 -1.083 -1.300 -7.834 315 HG23 THR 39 3HG2 THR 39 -2.575 -0.547 -8.411 316 H LEU 40 H LEU 40 1.510 -0.048 -5.416 317 HA LEU 40 HA LEU 40 3.342 -1.716 -6.974 318 HB2 LEU 40 2HB LEU 40 3.160 -1.073 -4.009 319 HB3 LEU 40 3HB LEU 40 4.111 -2.431 -4.585 320 HG LEU 40 HG LEU 40 5.377 -0.722 -6.056 321 HD11 LEU 40 1HD1 LEU 40 3.823 1.137 -5.884 322 HD12 LEU 40 2HD1 LEU 40 5.414 1.591 -5.275 323 HD13 LEU 40 3HD1 LEU 40 4.107 1.239 -4.143 324 HD21 LEU 40 1HD2 LEU 40 6.909 -0.116 -4.225 325 HD22 LEU 40 2HD2 LEU 40 6.407 -1.804 -4.129 326 HD23 LEU 40 3HD2 LEU 40 5.692 -0.610 -3.042 327 H CYS 41 H CYS 41 2.154 -3.293 -7.824 328 HA CYS 41 HA CYS 41 0.147 -4.787 -6.466 329 HB2 CYS 41 2HB CYS 41 1.592 -5.178 -9.094 330 HB3 CYS 41 3HB CYS 41 0.337 -6.274 -8.523 Start of MODEL 15 1 H1 SER 1 1H SER 1 -3.469 -14.380 1.790 2 H2 SER 1 2H SER 1 -3.577 -15.489 0.519 3 H3 SER 1 3H SER 1 -3.297 -13.859 0.190 4 HA SER 1 HA SER 1 -1.463 -15.659 1.645 5 HB2 SER 1 2HB SER 1 -1.175 -14.456 -1.140 6 HB3 SER 1 3HB SER 1 -0.069 -15.601 -0.374 7 HG SER 1 HG SER 1 -1.949 -16.228 -1.957 8 H GLN 2 H GLN 2 -0.012 -14.559 2.889 9 HA GLN 2 HA GLN 2 0.030 -11.719 3.056 10 HB2 GLN 2 2HB GLN 2 0.587 -13.231 4.983 11 HB3 GLN 2 3HB GLN 2 2.087 -13.672 4.173 12 HG2 GLN 2 2HG GLN 2 2.610 -12.016 5.824 13 HG3 GLN 2 3HG GLN 2 2.767 -11.254 4.244 14 HE21 GLN 2 1HE2 GLN 2 2.423 -9.957 6.764 15 HE22 GLN 2 2HE2 GLN 2 0.954 -9.051 6.693 16 H GLU 3 H GLU 3 0.655 -10.630 1.360 17 HA GLU 3 HA GLU 3 3.295 -10.747 0.163 18 HB2 GLU 3 2HB GLU 3 2.343 -12.519 -1.168 19 HB3 GLU 3 3HB GLU 3 0.790 -11.709 -1.290 20 HG2 GLU 3 2HG GLU 3 2.079 -9.919 -2.688 21 HG3 GLU 3 3HG GLU 3 3.342 -11.143 -2.816 22 H THR 4 H THR 4 0.027 -9.856 -0.784 23 HA THR 4 HA THR 4 0.630 -7.176 -1.570 24 HB THR 4 HB THR 4 -1.128 -8.165 -2.789 25 HG1 THR 4 HG1 THR 4 -2.120 -6.317 -2.609 26 HG21 THR 4 1HG2 THR 4 -2.535 -8.937 -0.205 27 HG22 THR 4 2HG2 THR 4 -1.667 -10.041 -1.275 28 HG23 THR 4 3HG2 THR 4 -3.125 -9.228 -1.845 29 H ARG 5 H ARG 5 -1.089 -8.614 1.223 30 HA ARG 5 HA ARG 5 -1.687 -6.189 2.540 31 HB2 ARG 5 2HB ARG 5 -1.231 -8.945 3.739 32 HB3 ARG 5 3HB ARG 5 -1.970 -7.586 4.568 33 HG2 ARG 5 2HG ARG 5 -3.889 -7.676 3.021 34 HG3 ARG 5 3HG ARG 5 -3.148 -9.040 2.174 35 HD2 ARG 5 2HD ARG 5 -3.236 -10.388 4.226 36 HD3 ARG 5 3HD ARG 5 -3.907 -9.025 5.123 37 HE ARG 5 HE ARG 5 -5.666 -9.578 3.010 38 HH11 ARG 5 1HH1 ARG 5 -4.469 -11.153 5.931 39 HH12 ARG 5 2HH1 ARG 5 -5.916 -12.079 6.169 40 HH21 ARG 5 1HH2 ARG 5 -7.600 -10.831 3.360 41 HH22 ARG 5 2HH2 ARG 5 -7.685 -11.901 4.721 42 H LYS 6 H LYS 6 1.115 -8.382 2.706 43 HA LYS 6 HA LYS 6 2.632 -7.142 4.724 44 HB2 LYS 6 2HB LYS 6 3.264 -9.351 4.002 45 HB3 LYS 6 3HB LYS 6 3.374 -8.869 2.324 46 HG2 LYS 6 2HG LYS 6 5.280 -7.565 4.235 47 HG3 LYS 6 3HG LYS 6 5.550 -9.269 3.877 48 HD2 LYS 6 2HD LYS 6 5.945 -8.847 1.575 49 HD3 LYS 6 3HD LYS 6 5.187 -7.255 1.640 50 HE2 LYS 6 2HE LYS 6 7.636 -7.104 1.421 51 HE3 LYS 6 3HE LYS 6 7.073 -6.377 2.925 52 HZ1 LYS 6 1HZ LYS 6 9.080 -7.740 3.216 53 HZ2 LYS 6 2HZ LYS 6 8.240 -9.104 2.687 54 HZ3 LYS 6 3HZ LYS 6 7.783 -8.341 4.115 55 H LYS 7 H LYS 7 2.600 -6.714 1.209 56 HA LYS 7 HA LYS 7 4.669 -4.793 1.021 57 HB2 LYS 7 2HB LYS 7 3.941 -6.228 -0.843 58 HB3 LYS 7 3HB LYS 7 2.371 -5.433 -0.881 59 HG2 LYS 7 2HG LYS 7 3.350 -3.379 -1.682 60 HG3 LYS 7 3HG LYS 7 4.987 -3.988 -1.412 61 HD2 LYS 7 2HD LYS 7 2.998 -5.143 -3.403 62 HD3 LYS 7 3HD LYS 7 4.324 -4.056 -3.812 63 HE2 LYS 7 2HE LYS 7 5.927 -5.780 -2.925 64 HE3 LYS 7 3HE LYS 7 4.558 -6.870 -2.695 65 HZ1 LYS 7 1HZ LYS 7 5.435 -5.724 -5.292 66 HZ2 LYS 7 2HZ LYS 7 4.133 -6.779 -5.075 67 HZ3 LYS 7 3HZ LYS 7 5.708 -7.309 -4.777 68 H CYS 8 H CYS 8 1.198 -4.576 1.503 69 HA CYS 8 HA CYS 8 0.863 -1.770 1.240 70 HB2 CYS 8 2HB CYS 8 -1.032 -3.309 1.169 71 HB3 CYS 8 3HB CYS 8 -0.724 -3.818 2.828 72 H THR 9 H THR 9 1.648 -3.904 3.980 73 HA THR 9 HA THR 9 1.612 -1.914 6.011 74 HB THR 9 HB THR 9 3.048 -4.606 5.922 75 HG1 THR 9 HG1 THR 9 0.691 -4.565 5.730 76 HG21 THR 9 1HG2 THR 9 2.404 -2.832 8.317 77 HG22 THR 9 2HG2 THR 9 4.019 -3.207 7.709 78 HG23 THR 9 3HG2 THR 9 3.025 -4.483 8.411 79 H GLU 10 H GLU 10 4.074 -3.078 3.782 80 HA GLU 10 HA GLU 10 6.311 -1.688 4.836 81 HB2 GLU 10 2HB GLU 10 6.504 -3.586 3.244 82 HB3 GLU 10 3HB GLU 10 5.804 -2.590 1.971 83 HG2 GLU 10 2HG GLU 10 7.716 -1.073 2.063 84 HG3 GLU 10 3HG GLU 10 8.396 -1.974 3.415 85 H MET 11 H MET 11 3.901 -0.866 2.361 86 HA MET 11 HA MET 11 5.023 1.702 1.746 87 HB2 MET 11 2HB MET 11 2.275 0.545 1.154 88 HB3 MET 11 3HB MET 11 2.865 2.079 0.527 89 HG2 MET 11 2HG MET 11 4.062 -0.634 -0.071 90 HG3 MET 11 3HG MET 11 2.998 0.278 -1.133 91 HE1 MET 11 1HE MET 11 6.488 0.550 0.795 92 HE2 MET 11 2HE MET 11 7.502 0.851 -0.615 93 HE3 MET 11 3HE MET 11 6.581 -0.648 -0.498 94 H LYS 12 H LYS 12 2.669 0.560 4.135 95 HA LYS 12 HA LYS 12 1.642 3.153 4.826 96 HB2 LYS 12 2HB LYS 12 1.539 0.454 6.221 97 HB3 LYS 12 3HB LYS 12 0.940 1.907 7.023 98 HG2 LYS 12 2HG LYS 12 -0.652 2.275 5.169 99 HG3 LYS 12 3HG LYS 12 -0.068 0.815 4.377 100 HD2 LYS 12 2HD LYS 12 -1.404 0.891 7.112 101 HD3 LYS 12 3HD LYS 12 -2.211 0.474 5.601 102 HE2 LYS 12 2HE LYS 12 -0.666 -1.451 5.330 103 HE3 LYS 12 3HE LYS 12 0.081 -1.047 6.878 104 HZ1 LYS 12 1HZ LYS 12 -2.713 -1.926 6.413 105 HZ2 LYS 12 2HZ LYS 12 -2.160 -1.341 7.890 106 HZ3 LYS 12 3HZ LYS 12 -1.507 -2.757 7.249 107 H LYS 13 H LYS 13 4.251 1.094 6.140 108 HA LYS 13 HA LYS 13 4.757 2.777 8.393 109 HB2 LYS 13 2HB LYS 13 6.632 1.350 8.901 110 HB3 LYS 13 3HB LYS 13 5.284 0.350 8.388 111 HG2 LYS 13 2HG LYS 13 6.370 0.154 6.128 112 HG3 LYS 13 3HG LYS 13 7.766 1.024 6.775 113 HD2 LYS 13 2HD LYS 13 8.079 -0.759 8.479 114 HD3 LYS 13 3HD LYS 13 6.680 -1.622 7.829 115 HE2 LYS 13 2HE LYS 13 8.675 -2.672 6.978 116 HE3 LYS 13 3HE LYS 13 7.899 -1.826 5.642 117 HZ1 LYS 13 1HZ LYS 13 10.247 -0.863 7.192 118 HZ2 LYS 13 2HZ LYS 13 9.496 -0.015 5.942 119 HZ3 LYS 13 3HZ LYS 13 10.268 -1.485 5.622 120 H LYS 14 H LYS 14 5.792 2.885 5.093 121 HA LYS 14 HA LYS 14 7.904 4.858 5.646 122 HB2 LYS 14 2HB LYS 14 8.344 3.078 3.966 123 HB3 LYS 14 3HB LYS 14 6.986 3.649 3.000 124 HG2 LYS 14 2HG LYS 14 8.124 5.757 2.543 125 HG3 LYS 14 3HG LYS 14 9.434 5.336 3.650 126 HD2 LYS 14 2HD LYS 14 8.773 3.838 1.084 127 HD3 LYS 14 3HD LYS 14 10.050 5.040 1.252 128 HE2 LYS 14 2HE LYS 14 11.202 3.627 2.877 129 HE3 LYS 14 3HE LYS 14 9.902 2.443 2.801 130 HZ1 LYS 14 1HZ LYS 14 11.686 3.195 0.555 131 HZ2 LYS 14 2HZ LYS 14 10.437 2.064 0.474 132 HZ3 LYS 14 3HZ LYS 14 11.777 1.775 1.462 133 H PHE 15 H PHE 15 5.013 4.619 3.538 134 HA PHE 15 HA PHE 15 4.899 7.549 3.267 135 HB2 PHE 15 2HB PHE 15 3.196 5.454 1.848 136 HB3 PHE 15 3HB PHE 15 3.386 7.137 1.399 137 HD1 PHE 15 HD1 PHE 15 4.580 3.802 0.885 138 HD2 PHE 15 HD2 PHE 15 5.784 7.907 0.634 139 HE1 PHE 15 HE1 PHE 15 6.410 3.174 -0.627 140 HE2 PHE 15 HE2 PHE 15 7.619 7.257 -0.886 141 HZ PHE 15 HZ PHE 15 7.921 4.887 -1.522 142 H LYS 16 H LYS 16 4.270 6.984 5.796 143 HA LYS 16 HA LYS 16 1.453 6.600 6.237 144 HB2 LYS 16 2HB LYS 16 1.983 7.216 8.618 145 HB3 LYS 16 3HB LYS 16 2.917 5.873 7.971 146 HG2 LYS 16 2HG LYS 16 4.847 7.400 7.612 147 HG3 LYS 16 3HG LYS 16 3.909 8.718 8.322 148 HD2 LYS 16 2HD LYS 16 5.464 7.761 9.980 149 HD3 LYS 16 3HD LYS 16 3.788 7.495 10.468 150 HE2 LYS 16 2HE LYS 16 3.932 5.165 9.624 151 HE3 LYS 16 3HE LYS 16 5.611 5.447 9.160 152 HZ1 LYS 16 1HZ LYS 16 4.558 5.598 11.936 153 HZ2 LYS 16 2HZ LYS 16 6.171 5.801 11.473 154 HZ3 LYS 16 3HZ LYS 16 5.421 4.301 11.290 155 H ASN 17 H ASN 17 2.959 9.128 4.864 156 HA ASN 17 HA ASN 17 0.934 11.109 5.771 157 HB2 ASN 17 2HB ASN 17 3.560 11.554 4.262 158 HB3 ASN 17 3HB ASN 17 2.417 12.817 4.704 159 HD21 ASN 17 1HD2 ASN 17 4.767 10.537 5.928 160 HD22 ASN 17 2HD2 ASN 17 4.973 11.285 7.473 161 H CYS 18 H CYS 18 0.714 8.751 3.874 162 HA CYS 18 HA CYS 18 -0.478 10.140 1.571 163 HB2 CYS 18 2HB CYS 18 1.503 7.832 1.326 164 HB3 CYS 18 3HB CYS 18 0.663 8.623 -0.005 165 H GLU 19 H GLU 19 -2.062 8.805 0.411 166 HA GLU 19 HA GLU 19 -3.579 7.098 2.182 167 HB2 GLU 19 2HB GLU 19 -4.593 8.801 0.510 168 HB3 GLU 19 3HB GLU 19 -4.204 7.649 -0.749 169 HG2 GLU 19 2HG GLU 19 -5.670 5.967 0.222 170 HG3 GLU 19 3HG GLU 19 -5.974 6.988 1.629 171 H VAL 20 H VAL 20 -1.956 5.399 2.345 172 HA VAL 20 HA VAL 20 -1.501 3.595 0.101 173 HB VAL 20 HB VAL 20 -0.886 3.247 3.080 174 HG11 VAL 20 1HG1 VAL 20 0.114 1.660 0.684 175 HG12 VAL 20 2HG1 VAL 20 -1.026 1.087 1.905 176 HG13 VAL 20 3HG1 VAL 20 0.642 1.443 2.355 177 HG21 VAL 20 1HG2 VAL 20 0.963 4.149 0.852 178 HG22 VAL 20 2HG2 VAL 20 1.420 3.869 2.533 179 HG23 VAL 20 3HG2 VAL 20 0.304 5.174 2.129 180 H ARG 21 H ARG 21 -3.046 2.038 -0.475 181 HA ARG 21 HA ARG 21 -4.770 0.952 1.704 182 HB2 ARG 21 2HB ARG 21 -5.566 1.569 -1.172 183 HB3 ARG 21 3HB ARG 21 -6.563 0.650 -0.049 184 HG2 ARG 21 2HG ARG 21 -6.637 2.670 1.447 185 HG3 ARG 21 3HG ARG 21 -5.766 3.571 0.204 186 HD2 ARG 21 2HD ARG 21 -7.622 3.130 -1.389 187 HD3 ARG 21 3HD ARG 21 -8.498 2.270 -0.118 188 HE ARG 21 HE ARG 21 -7.869 4.885 0.771 189 HH11 ARG 21 1HH1 ARG 21 -10.033 3.252 -1.492 190 HH12 ARG 21 2HH1 ARG 21 -11.238 4.498 -1.431 191 HH21 ARG 21 1HH2 ARG 21 -9.423 6.543 0.790 192 HH22 ARG 21 2HH2 ARG 21 -10.887 6.375 -0.126 193 H CYS 22 H CYS 22 -4.758 -1.183 1.925 194 HA CYS 22 HA CYS 22 -3.129 -2.911 0.299 195 HB2 CYS 22 2HB CYS 22 -5.079 -3.865 2.420 196 HB3 CYS 22 3HB CYS 22 -3.511 -4.535 1.981 197 H ASP 23 H ASP 23 -3.879 -4.508 -1.135 198 HA ASP 23 HA ASP 23 -6.782 -4.707 -1.656 199 HB2 ASP 23 2HB ASP 23 -4.718 -3.969 -3.780 200 HB3 ASP 23 3HB ASP 23 -6.328 -4.558 -4.166 201 H GLU 24 H GLU 24 -6.523 -6.748 -0.655 202 HA GLU 24 HA GLU 24 -4.676 -8.721 -1.490 203 HB2 GLU 24 2HB GLU 24 -5.974 -10.277 -0.128 204 HB3 GLU 24 3HB GLU 24 -5.748 -8.751 0.721 205 HG2 GLU 24 2HG GLU 24 -8.066 -8.088 0.004 206 HG3 GLU 24 3HG GLU 24 -8.267 -9.713 -0.658 207 H SER 25 H SER 25 -7.929 -7.935 -2.530 208 HA SER 25 HA SER 25 -8.487 -10.203 -4.106 209 HB2 SER 25 2HB SER 25 -9.522 -7.360 -4.472 210 HB3 SER 25 3HB SER 25 -10.298 -8.843 -5.038 211 HG SER 25 HG SER 25 -10.967 -9.268 -3.072 212 H ASN 26 H ASN 26 -7.056 -7.079 -4.891 213 HA ASN 26 HA ASN 26 -6.634 -7.632 -7.696 214 HB2 ASN 26 2HB ASN 26 -5.654 -5.329 -5.944 215 HB3 ASN 26 3HB ASN 26 -5.493 -5.411 -7.697 216 HD21 ASN 26 1HD2 ASN 26 -6.652 -3.441 -7.820 217 HD22 ASN 26 2HD2 ASN 26 -8.371 -3.409 -7.665 218 H HIS 27 H HIS 27 -4.952 -8.197 -4.756 219 HA HIS 27 HA HIS 27 -2.884 -8.809 -4.114 220 HB2 HIS 27 2HB HIS 27 -2.630 -9.757 -7.001 221 HB3 HIS 27 3HB HIS 27 -1.457 -10.118 -5.735 222 HD1 HIS 27 HD1 HIS 27 -2.004 -11.987 -4.110 223 HD2 HIS 27 HD2 HIS 27 -5.179 -11.071 -6.633 224 HE1 HIS 27 HE1 HIS 27 -3.728 -13.774 -3.716 225 HE2 HIS 27 HE2 HIS 27 -5.515 -13.321 -5.419 226 H CYS 28 H CYS 28 -3.334 -6.183 -4.740 227 HA CYS 28 HA CYS 28 -0.672 -5.178 -5.504 228 HB2 CYS 28 2HB CYS 28 -3.353 -4.174 -6.524 229 HB3 CYS 28 3HB CYS 28 -1.844 -3.280 -6.694 230 H VAL 29 H VAL 29 -0.565 -2.768 -4.936 231 HA VAL 29 HA VAL 29 -2.130 -1.992 -2.543 232 HB VAL 29 HB VAL 29 0.914 -1.692 -2.854 233 HG11 VAL 29 1HG1 VAL 29 -0.844 -0.886 -0.504 234 HG12 VAL 29 2HG1 VAL 29 -0.067 0.219 -1.642 235 HG13 VAL 29 3HG1 VAL 29 0.919 -0.778 -0.570 236 HG21 VAL 29 1HG2 VAL 29 -0.623 -3.476 -0.941 237 HG22 VAL 29 2HG2 VAL 29 1.131 -3.253 -0.967 238 HG23 VAL 29 3HG2 VAL 29 0.315 -4.010 -2.338 239 H GLU 30 H GLU 30 -3.190 -0.134 -3.271 240 HA GLU 30 HA GLU 30 -1.718 1.596 -5.175 241 HB2 GLU 30 2HB GLU 30 -3.912 0.800 -5.968 242 HB3 GLU 30 3HB GLU 30 -4.698 1.582 -4.603 243 HG2 GLU 30 2HG GLU 30 -4.285 3.745 -5.410 244 HG3 GLU 30 3HG GLU 30 -2.971 3.215 -6.449 245 H VAL 31 H VAL 31 -0.769 3.226 -4.396 246 HA VAL 31 HA VAL 31 -1.522 4.521 -1.863 247 HB VAL 31 HB VAL 31 1.138 4.572 -3.354 248 HG11 VAL 31 1HG1 VAL 31 2.044 5.452 -1.232 249 HG12 VAL 31 2HG1 VAL 31 0.413 5.485 -0.554 250 HG13 VAL 31 3HG1 VAL 31 0.822 6.517 -1.929 251 HG21 VAL 31 1HG2 VAL 31 0.355 2.854 -0.982 252 HG22 VAL 31 2HG2 VAL 31 1.981 2.988 -1.666 253 HG23 VAL 31 3HG2 VAL 31 0.671 2.294 -2.629 254 H ARG 32 H ARG 32 -2.715 6.333 -2.358 255 HA ARG 32 HA ARG 32 -1.732 8.227 -4.391 256 HB2 ARG 32 2HB ARG 32 -4.234 8.130 -2.661 257 HB3 ARG 32 3HB ARG 32 -3.747 9.616 -3.469 258 HG2 ARG 32 2HG ARG 32 -5.318 8.662 -4.909 259 HG3 ARG 32 3HG ARG 32 -3.755 8.278 -5.616 260 HD2 ARG 32 2HD ARG 32 -5.176 6.319 -5.773 261 HD3 ARG 32 3HD ARG 32 -3.916 5.980 -4.576 262 HE ARG 32 HE ARG 32 -5.888 6.934 -3.033 263 HH11 ARG 32 1HH1 ARG 32 -6.016 4.386 -5.480 264 HH12 ARG 32 2HH1 ARG 32 -7.340 3.577 -4.703 265 HH21 ARG 32 1HH2 ARG 32 -7.697 5.907 -2.143 266 HH22 ARG 32 2HH2 ARG 32 -8.283 4.433 -2.839 267 H CYS 33 H CYS 33 -1.446 10.573 -3.589 268 HA CYS 33 HA CYS 33 -1.087 10.986 -0.739 269 HB2 CYS 33 2HB CYS 33 1.126 9.953 -1.687 270 HB3 CYS 33 3HB CYS 33 1.381 11.528 -2.412 271 H SER 34 H SER 34 0.258 12.557 -3.663 272 HA SER 34 HA SER 34 -1.658 14.729 -3.632 273 HB2 SER 34 2HB SER 34 1.276 15.307 -2.982 274 HB3 SER 34 3HB SER 34 0.074 16.538 -3.358 275 HG SER 34 HG SER 34 -1.033 15.263 -1.452 276 H ASP 35 H ASP 35 1.673 13.996 -4.721 277 HA ASP 35 HA ASP 35 0.922 14.599 -7.544 278 HB2 ASP 35 2HB ASP 35 3.521 15.228 -6.071 279 HB3 ASP 35 3HB ASP 35 3.303 15.422 -7.802 280 H THR 36 H THR 36 1.170 11.976 -5.906 281 HA THR 36 HA THR 36 3.359 10.681 -7.431 282 HB THR 36 HB THR 36 3.262 8.926 -5.606 283 HG1 THR 36 HG1 THR 36 2.247 9.568 -3.640 284 HG21 THR 36 1HG2 THR 36 5.024 10.647 -5.597 285 HG22 THR 36 2HG2 THR 36 4.533 10.264 -3.944 286 HG23 THR 36 3HG2 THR 36 3.963 11.746 -4.716 287 H LYS 37 H LYS 37 0.602 9.117 -5.779 288 HA LYS 37 HA LYS 37 -0.907 7.579 -6.393 289 HB2 LYS 37 2HB LYS 37 -1.654 9.693 -7.720 290 HB3 LYS 37 3HB LYS 37 -1.061 8.862 -9.144 291 HG2 LYS 37 2HG LYS 37 -3.234 7.788 -7.305 292 HG3 LYS 37 3HG LYS 37 -3.543 8.702 -8.778 293 HD2 LYS 37 2HD LYS 37 -2.196 5.987 -8.605 294 HD3 LYS 37 3HD LYS 37 -3.851 6.290 -9.125 295 HE2 LYS 37 2HE LYS 37 -1.343 7.240 -10.562 296 HE3 LYS 37 3HE LYS 37 -2.372 5.894 -11.042 297 HZ1 LYS 37 1HZ LYS 37 -3.245 8.726 -10.898 298 HZ2 LYS 37 2HZ LYS 37 -4.176 7.416 -11.417 299 HZ3 LYS 37 3HZ LYS 37 -2.822 7.900 -12.307 300 H TYR 38 H TYR 38 0.401 5.770 -6.308 301 HA TYR 38 HA TYR 38 1.144 4.524 -8.861 302 HB2 TYR 38 2HB TYR 38 3.261 3.633 -7.707 303 HB3 TYR 38 3HB TYR 38 3.273 5.318 -8.177 304 HD1 TYR 38 HD1 TYR 38 3.236 2.999 -5.338 305 HD2 TYR 38 HD2 TYR 38 3.255 7.098 -6.495 306 HE1 TYR 38 HE1 TYR 38 3.841 3.629 -3.052 307 HE2 TYR 38 HE2 TYR 38 3.861 7.733 -4.203 308 HH TYR 38 HH TYR 38 4.870 5.472 -1.888 309 H THR 39 H THR 39 1.328 2.188 -8.767 310 HA THR 39 HA THR 39 -0.086 0.937 -6.492 311 HB THR 39 HB THR 39 -0.509 0.161 -9.424 312 HG1 THR 39 HG1 THR 39 -2.580 1.384 -8.004 313 HG21 THR 39 1HG2 THR 39 -2.062 -0.567 -6.910 314 HG22 THR 39 2HG2 THR 39 -0.976 -1.644 -7.793 315 HG23 THR 39 3HG2 THR 39 -2.464 -1.073 -8.555 316 H LEU 40 H LEU 40 1.376 -0.391 -5.526 317 HA LEU 40 HA LEU 40 3.508 -1.727 -7.005 318 HB2 LEU 40 2HB LEU 40 2.825 -1.565 -4.044 319 HB3 LEU 40 3HB LEU 40 4.036 -2.671 -4.661 320 HG LEU 40 HG LEU 40 5.185 -0.539 -5.649 321 HD11 LEU 40 1HD1 LEU 40 3.432 0.749 -3.551 322 HD12 LEU 40 2HD1 LEU 40 3.376 1.035 -5.294 323 HD13 LEU 40 3HD1 LEU 40 4.798 1.520 -4.365 324 HD21 LEU 40 1HD2 LEU 40 5.173 -1.023 -2.655 325 HD22 LEU 40 2HD2 LEU 40 6.433 -0.191 -3.572 326 HD23 LEU 40 3HD2 LEU 40 6.134 -1.906 -3.844 327 H CYS 41 H CYS 41 3.045 -3.618 -7.998 328 HA CYS 41 HA CYS 41 1.121 -5.518 -6.773 329 HB2 CYS 41 2HB CYS 41 1.660 -5.021 -9.727 330 HB3 CYS 41 3HB CYS 41 0.591 -6.270 -9.089 Start of MODEL 16 1 H1 SER 1 1H SER 1 -0.510 -15.699 2.116 2 H2 SER 1 2H SER 1 -0.292 -16.098 3.744 3 H3 SER 1 3H SER 1 -0.281 -17.310 2.568 4 HA SER 1 HA SER 1 1.931 -16.844 3.303 5 HB2 SER 1 2HB SER 1 1.354 -15.883 0.472 6 HB3 SER 1 3HB SER 1 2.929 -16.435 1.050 7 HG SER 1 HG SER 1 1.956 -18.477 1.462 8 H GLN 2 H GLN 2 0.011 -14.111 3.165 9 HA GLN 2 HA GLN 2 0.242 -11.897 3.503 10 HB2 GLN 2 2HB GLN 2 1.291 -12.782 5.624 11 HB3 GLN 2 3HB GLN 2 2.869 -12.651 4.856 12 HG2 GLN 2 2HG GLN 2 2.458 -10.164 4.625 13 HG3 GLN 2 3HG GLN 2 0.987 -10.386 5.578 14 HE21 GLN 2 1HE2 GLN 2 4.498 -10.526 5.653 15 HE22 GLN 2 2HE2 GLN 2 4.655 -10.433 7.372 16 H GLU 3 H GLU 3 0.501 -11.985 1.115 17 HA GLU 3 HA GLU 3 3.162 -11.533 -0.008 18 HB2 GLU 3 2HB GLU 3 1.753 -11.529 -2.212 19 HB3 GLU 3 3HB GLU 3 1.951 -13.042 -1.340 20 HG2 GLU 3 2HG GLU 3 -0.289 -12.969 -0.486 21 HG3 GLU 3 3HG GLU 3 -0.480 -11.281 -0.954 22 H THR 4 H THR 4 0.373 -9.899 -1.396 23 HA THR 4 HA THR 4 1.560 -7.397 -1.600 24 HB THR 4 HB THR 4 -0.134 -8.187 -3.142 25 HG1 THR 4 HG1 THR 4 -0.258 -6.071 -3.216 26 HG21 THR 4 1HG2 THR 4 -1.501 -9.561 -1.628 27 HG22 THR 4 2HG2 THR 4 -2.503 -8.421 -2.521 28 HG23 THR 4 3HG2 THR 4 -2.117 -8.104 -0.831 29 H ARG 5 H ARG 5 -0.411 -8.846 0.905 30 HA ARG 5 HA ARG 5 -1.254 -6.556 2.311 31 HB2 ARG 5 2HB ARG 5 -0.669 -9.348 3.386 32 HB3 ARG 5 3HB ARG 5 -1.516 -8.081 4.272 33 HG2 ARG 5 2HG ARG 5 -3.283 -8.102 2.484 34 HG3 ARG 5 3HG ARG 5 -2.475 -9.501 1.764 35 HD2 ARG 5 2HD ARG 5 -2.823 -10.779 3.843 36 HD3 ARG 5 3HD ARG 5 -3.557 -9.362 4.603 37 HE ARG 5 HE ARG 5 -4.911 -10.117 2.209 38 HH11 ARG 5 1HH1 ARG 5 -4.628 -10.987 5.611 39 HH12 ARG 5 2HH1 ARG 5 -6.213 -11.682 5.690 40 HH21 ARG 5 1HH2 ARG 5 -7.028 -10.985 2.354 41 HH22 ARG 5 2HH2 ARG 5 -7.563 -11.682 3.846 42 H LYS 6 H LYS 6 1.712 -8.567 2.598 43 HA LYS 6 HA LYS 6 2.981 -7.271 4.727 44 HB2 LYS 6 2HB LYS 6 4.083 -9.257 4.128 45 HB3 LYS 6 3HB LYS 6 3.954 -8.941 2.409 46 HG2 LYS 6 2HG LYS 6 5.779 -7.158 3.981 47 HG3 LYS 6 3HG LYS 6 6.299 -8.823 3.764 48 HD2 LYS 6 2HD LYS 6 6.775 -8.528 1.536 49 HD3 LYS 6 3HD LYS 6 5.363 -7.512 1.254 50 HE2 LYS 6 2HE LYS 6 7.380 -6.243 0.838 51 HE3 LYS 6 3HE LYS 6 6.574 -5.597 2.267 52 HZ1 LYS 6 1HZ LYS 6 8.179 -6.879 3.639 53 HZ2 LYS 6 2HZ LYS 6 8.924 -5.727 2.660 54 HZ3 LYS 6 3HZ LYS 6 8.978 -7.358 2.227 55 H LYS 7 H LYS 7 2.889 -6.571 1.300 56 HA LYS 7 HA LYS 7 4.875 -4.576 1.208 57 HB2 LYS 7 2HB LYS 7 4.064 -5.898 -0.717 58 HB3 LYS 7 3HB LYS 7 2.524 -5.053 -0.657 59 HG2 LYS 7 2HG LYS 7 3.510 -2.990 -1.397 60 HG3 LYS 7 3HG LYS 7 5.148 -3.588 -1.097 61 HD2 LYS 7 2HD LYS 7 3.247 -4.696 -3.199 62 HD3 LYS 7 3HD LYS 7 4.572 -3.574 -3.522 63 HE2 LYS 7 2HE LYS 7 6.223 -5.233 -2.864 64 HE3 LYS 7 3HE LYS 7 4.972 -6.320 -2.269 65 HZ1 LYS 7 1HZ LYS 7 5.844 -6.991 -4.410 66 HZ2 LYS 7 2HZ LYS 7 5.313 -5.549 -5.110 67 HZ3 LYS 7 3HZ LYS 7 4.194 -6.648 -4.489 68 H CYS 8 H CYS 8 1.310 -4.395 1.475 69 HA CYS 8 HA CYS 8 1.117 -1.580 1.516 70 HB2 CYS 8 2HB CYS 8 -0.816 -3.067 1.033 71 HB3 CYS 8 3HB CYS 8 -0.835 -3.574 2.724 72 H THR 9 H THR 9 1.375 -4.002 4.117 73 HA THR 9 HA THR 9 1.162 -2.401 6.388 74 HB THR 9 HB THR 9 2.917 -4.875 5.976 75 HG1 THR 9 HG1 THR 9 0.553 -5.031 5.658 76 HG21 THR 9 1HG2 THR 9 2.833 -5.195 8.412 77 HG22 THR 9 2HG2 THR 9 1.908 -3.702 8.588 78 HG23 THR 9 3HG2 THR 9 3.578 -3.638 8.026 79 H GLU 10 H GLU 10 3.945 -3.195 4.390 80 HA GLU 10 HA GLU 10 5.973 -1.903 5.917 81 HB2 GLU 10 2HB GLU 10 6.415 -3.814 4.425 82 HB3 GLU 10 3HB GLU 10 5.896 -2.879 3.026 83 HG2 GLU 10 2HG GLU 10 7.807 -1.321 3.417 84 HG3 GLU 10 3HG GLU 10 8.349 -2.364 4.734 85 H MET 11 H MET 11 3.996 -0.968 3.130 86 HA MET 11 HA MET 11 5.463 1.469 2.624 87 HB2 MET 11 2HB MET 11 2.933 0.370 1.351 88 HB3 MET 11 3HB MET 11 3.713 1.876 0.861 89 HG2 MET 11 2HG MET 11 4.858 -0.921 0.671 90 HG3 MET 11 3HG MET 11 4.425 0.162 -0.654 91 HE1 MET 11 1HE MET 11 7.261 -1.399 -0.237 92 HE2 MET 11 2HE MET 11 8.412 -0.149 -0.706 93 HE3 MET 11 3HE MET 11 6.952 -0.398 -1.663 94 H LYS 12 H LYS 12 2.597 0.648 4.464 95 HA LYS 12 HA LYS 12 1.683 3.324 4.894 96 HB2 LYS 12 2HB LYS 12 1.277 0.749 6.455 97 HB3 LYS 12 3HB LYS 12 0.625 2.284 7.027 98 HG2 LYS 12 2HG LYS 12 -0.710 2.522 5.001 99 HG3 LYS 12 3HG LYS 12 -0.014 1.052 4.324 100 HD2 LYS 12 2HD LYS 12 -1.731 1.176 6.843 101 HD3 LYS 12 3HD LYS 12 -2.322 0.726 5.239 102 HE2 LYS 12 2HE LYS 12 -0.684 -1.178 5.243 103 HE3 LYS 12 3HE LYS 12 -0.263 -0.758 6.903 104 HZ1 LYS 12 1HZ LYS 12 -2.579 -1.159 7.528 105 HZ2 LYS 12 2HZ LYS 12 -1.863 -2.535 6.869 106 HZ3 LYS 12 3HZ LYS 12 -2.943 -1.621 5.944 107 H LYS 13 H LYS 13 4.203 1.334 6.323 108 HA LYS 13 HA LYS 13 4.886 3.005 8.527 109 HB2 LYS 13 2HB LYS 13 6.580 0.992 6.999 110 HB3 LYS 13 3HB LYS 13 7.041 1.722 8.536 111 HG2 LYS 13 2HG LYS 13 5.209 0.612 9.679 112 HG3 LYS 13 3HG LYS 13 4.566 0.001 8.149 113 HD2 LYS 13 2HD LYS 13 6.686 -1.320 7.850 114 HD3 LYS 13 3HD LYS 13 7.217 -0.757 9.437 115 HE2 LYS 13 2HE LYS 13 4.731 -2.423 8.911 116 HE3 LYS 13 3HE LYS 13 6.264 -3.047 9.525 117 HZ1 LYS 13 1HZ LYS 13 4.710 -2.689 11.317 118 HZ2 LYS 13 2HZ LYS 13 4.516 -1.067 10.892 119 HZ3 LYS 13 3HZ LYS 13 6.005 -1.614 11.474 120 H LYS 14 H LYS 14 6.047 2.796 5.178 121 HA LYS 14 HA LYS 14 8.033 4.880 5.405 122 HB2 LYS 14 2HB LYS 14 6.760 3.554 2.962 123 HB3 LYS 14 3HB LYS 14 8.077 4.721 2.865 124 HG2 LYS 14 2HG LYS 14 9.565 3.192 4.058 125 HG3 LYS 14 3HG LYS 14 8.248 2.034 4.278 126 HD2 LYS 14 2HD LYS 14 8.111 1.666 1.870 127 HD3 LYS 14 3HD LYS 14 9.310 2.924 1.560 128 HE2 LYS 14 2HE LYS 14 10.182 0.559 1.397 129 HE3 LYS 14 3HE LYS 14 11.064 1.581 2.532 130 HZ1 LYS 14 1HZ LYS 14 10.020 0.529 4.354 131 HZ2 LYS 14 2HZ LYS 14 10.522 -0.717 3.327 132 HZ3 LYS 14 3HZ LYS 14 8.898 -0.252 3.367 133 H PHE 15 H PHE 15 5.058 4.681 3.495 134 HA PHE 15 HA PHE 15 4.934 7.566 3.116 135 HB2 PHE 15 2HB PHE 15 3.122 5.456 1.889 136 HB3 PHE 15 3HB PHE 15 3.448 7.067 1.274 137 HD1 PHE 15 HD1 PHE 15 3.952 3.820 0.453 138 HD2 PHE 15 HD2 PHE 15 6.302 7.341 1.113 139 HE1 PHE 15 HE1 PHE 15 5.751 2.888 -0.935 140 HE2 PHE 15 HE2 PHE 15 8.088 6.394 -0.278 141 HZ PHE 15 HZ PHE 15 7.818 4.173 -1.301 142 H LYS 16 H LYS 16 4.419 7.519 5.577 143 HA LYS 16 HA LYS 16 1.885 6.738 6.560 144 HB2 LYS 16 2HB LYS 16 3.783 7.154 8.045 145 HB3 LYS 16 3HB LYS 16 3.862 8.839 7.535 146 HG2 LYS 16 2HG LYS 16 1.612 9.213 8.551 147 HG3 LYS 16 3HG LYS 16 1.629 7.541 9.129 148 HD2 LYS 16 2HD LYS 16 3.625 8.014 10.503 149 HD3 LYS 16 3HD LYS 16 3.683 9.670 9.881 150 HE2 LYS 16 2HE LYS 16 1.487 10.121 10.901 151 HE3 LYS 16 3HE LYS 16 1.437 8.471 11.526 152 HZ1 LYS 16 1HZ LYS 16 3.477 10.508 12.236 153 HZ2 LYS 16 2HZ LYS 16 3.376 8.941 12.859 154 HZ3 LYS 16 3HZ LYS 16 2.159 10.067 13.200 155 H ASN 17 H ASN 17 3.039 9.700 5.013 156 HA ASN 17 HA ASN 17 0.560 11.175 5.466 157 HB2 ASN 17 2HB ASN 17 3.105 11.938 3.977 158 HB3 ASN 17 3HB ASN 17 1.740 13.024 4.223 159 HD21 ASN 17 1HD2 ASN 17 4.527 13.259 5.128 160 HD22 ASN 17 2HD2 ASN 17 4.462 13.428 6.848 161 H CYS 18 H CYS 18 1.075 8.733 3.530 162 HA CYS 18 HA CYS 18 -0.481 9.789 1.239 163 HB2 CYS 18 2HB CYS 18 1.510 7.494 1.336 164 HB3 CYS 18 3HB CYS 18 0.463 7.839 -0.029 165 H GLU 19 H GLU 19 -2.029 8.354 0.324 166 HA GLU 19 HA GLU 19 -3.420 6.664 2.254 167 HB2 GLU 19 2HB GLU 19 -4.724 8.293 0.896 168 HB3 GLU 19 3HB GLU 19 -4.187 7.507 -0.579 169 HG2 GLU 19 2HG GLU 19 -6.435 6.790 -0.157 170 HG3 GLU 19 3HG GLU 19 -5.378 5.419 0.161 171 H VAL 20 H VAL 20 -1.797 5.010 2.345 172 HA VAL 20 HA VAL 20 -1.181 3.426 -0.032 173 HB VAL 20 HB VAL 20 -0.555 2.894 2.912 174 HG11 VAL 20 1HG1 VAL 20 1.159 1.319 2.076 175 HG12 VAL 20 2HG1 VAL 20 0.639 1.633 0.416 176 HG13 VAL 20 3HG1 VAL 20 -0.455 0.834 1.548 177 HG21 VAL 20 1HG2 VAL 20 1.683 3.766 2.447 178 HG22 VAL 20 2HG2 VAL 20 0.460 4.995 2.116 179 HG23 VAL 20 3HG2 VAL 20 1.211 4.119 0.782 180 H ARG 21 H ARG 21 -2.815 2.169 -0.756 181 HA ARG 21 HA ARG 21 -4.970 1.278 1.027 182 HB2 ARG 21 2HB ARG 21 -4.828 1.426 -2.014 183 HB3 ARG 21 3HB ARG 21 -6.236 0.890 -1.093 184 HG2 ARG 21 2HG ARG 21 -6.412 3.130 -0.058 185 HG3 ARG 21 3HG ARG 21 -5.007 3.674 -0.980 186 HD2 ARG 21 2HD ARG 21 -7.147 4.414 -2.000 187 HD3 ARG 21 3HD ARG 21 -6.224 3.355 -3.077 188 HE ARG 21 HE ARG 21 -8.367 2.231 -1.388 189 HH11 ARG 21 1HH1 ARG 21 -7.184 2.952 -4.635 190 HH12 ARG 21 2HH1 ARG 21 -8.359 1.953 -5.414 191 HH21 ARG 21 1HH2 ARG 21 -9.845 0.864 -2.438 192 HH22 ARG 21 2HH2 ARG 21 -9.863 0.767 -4.171 193 H CYS 22 H CYS 22 -4.706 -0.692 1.828 194 HA CYS 22 HA CYS 22 -3.171 -2.795 0.610 195 HB2 CYS 22 2HB CYS 22 -5.155 -3.027 2.919 196 HB3 CYS 22 3HB CYS 22 -3.808 -4.108 2.559 197 H ASP 23 H ASP 23 -3.929 -4.500 -0.609 198 HA ASP 23 HA ASP 23 -6.721 -5.209 -0.752 199 HB2 ASP 23 2HB ASP 23 -6.888 -3.444 -2.381 200 HB3 ASP 23 3HB ASP 23 -5.362 -3.887 -3.141 201 H GLU 24 H GLU 24 -7.011 -7.233 -1.397 202 HA GLU 24 HA GLU 24 -4.792 -8.862 -2.451 203 HB2 GLU 24 2HB GLU 24 -5.677 -10.630 -0.657 204 HB3 GLU 24 3HB GLU 24 -4.534 -9.383 -0.184 205 HG2 GLU 24 2HG GLU 24 -6.204 -9.538 1.534 206 HG3 GLU 24 3HG GLU 24 -6.403 -8.005 0.696 207 H SER 25 H SER 25 -7.632 -7.691 -3.195 208 HA SER 25 HA SER 25 -8.974 -10.137 -4.096 209 HB2 SER 25 2HB SER 25 -9.683 -7.228 -4.668 210 HB3 SER 25 3HB SER 25 -10.725 -8.642 -4.862 211 HG SER 25 HG SER 25 -9.736 -7.524 -2.438 212 H ASN 26 H ASN 26 -7.777 -7.124 -5.609 213 HA ASN 26 HA ASN 26 -7.075 -8.418 -8.130 214 HB2 ASN 26 2HB ASN 26 -7.867 -6.061 -8.098 215 HB3 ASN 26 3HB ASN 26 -6.519 -5.607 -7.064 216 HD21 ASN 26 1HD2 ASN 26 -5.752 -4.071 -8.507 217 HD22 ASN 26 2HD2 ASN 26 -5.030 -4.470 -10.025 218 H HIS 27 H HIS 27 -5.664 -7.749 -5.045 219 HA HIS 27 HA HIS 27 -3.815 -8.466 -4.002 220 HB2 HIS 27 2HB HIS 27 -3.104 -9.850 -6.621 221 HB3 HIS 27 3HB HIS 27 -2.150 -9.995 -5.152 222 HD1 HIS 27 HD1 HIS 27 -2.946 -11.652 -3.399 223 HD2 HIS 27 HD2 HIS 27 -5.653 -11.190 -6.500 224 HE1 HIS 27 HE1 HIS 27 -4.625 -13.482 -3.098 225 HE2 HIS 27 HE2 HIS 27 -6.125 -13.297 -5.118 226 H CYS 28 H CYS 28 -4.000 -5.884 -5.203 227 HA CYS 28 HA CYS 28 -1.131 -5.219 -5.523 228 HB2 CYS 28 2HB CYS 28 -3.341 -4.086 -7.276 229 HB3 CYS 28 3HB CYS 28 -1.654 -3.604 -7.318 230 H VAL 29 H VAL 29 -0.471 -3.293 -4.619 231 HA VAL 29 HA VAL 29 -2.320 -1.983 -2.721 232 HB VAL 29 HB VAL 29 0.725 -1.838 -2.919 233 HG11 VAL 29 1HG1 VAL 29 0.643 -0.870 -0.636 234 HG12 VAL 29 2HG1 VAL 29 -1.120 -0.863 -0.714 235 HG13 VAL 29 3HG1 VAL 29 -0.185 0.148 -1.817 236 HG21 VAL 29 1HG2 VAL 29 0.784 -3.347 -0.974 237 HG22 VAL 29 2HG2 VAL 29 -0.004 -4.117 -2.354 238 HG23 VAL 29 3HG2 VAL 29 -0.976 -3.487 -1.021 239 H GLU 30 H GLU 30 -3.235 -0.109 -3.471 240 HA GLU 30 HA GLU 30 -1.831 1.601 -5.408 241 HB2 GLU 30 2HB GLU 30 -4.208 1.190 -5.874 242 HB3 GLU 30 3HB GLU 30 -4.655 1.783 -4.275 243 HG2 GLU 30 2HG GLU 30 -3.752 4.040 -4.918 244 HG3 GLU 30 3HG GLU 30 -3.436 3.412 -6.530 245 H VAL 31 H VAL 31 -0.402 3.028 -4.497 246 HA VAL 31 HA VAL 31 -1.073 4.301 -1.918 247 HB VAL 31 HB VAL 31 1.505 4.549 -3.506 248 HG11 VAL 31 1HG1 VAL 31 2.461 5.334 -1.353 249 HG12 VAL 31 2HG1 VAL 31 0.854 5.243 -0.623 250 HG13 VAL 31 3HG1 VAL 31 1.165 6.384 -1.935 251 HG21 VAL 31 1HG2 VAL 31 0.922 2.645 -1.213 252 HG22 VAL 31 2HG2 VAL 31 2.505 2.913 -1.956 253 HG23 VAL 31 3HG2 VAL 31 1.197 2.197 -2.902 254 H ARG 32 H ARG 32 -2.411 5.984 -2.276 255 HA ARG 32 HA ARG 32 -2.042 7.832 -4.504 256 HB2 ARG 32 2HB ARG 32 -4.343 7.073 -3.825 257 HB3 ARG 32 3HB ARG 32 -4.104 7.845 -2.260 258 HG2 ARG 32 2HG ARG 32 -3.806 10.051 -3.514 259 HG3 ARG 32 3HG ARG 32 -4.323 9.199 -4.969 260 HD2 ARG 32 2HD ARG 32 -5.927 9.660 -2.436 261 HD3 ARG 32 3HD ARG 32 -6.236 10.350 -4.030 262 HE ARG 32 HE ARG 32 -6.711 8.007 -4.778 263 HH11 ARG 32 1HH1 ARG 32 -7.097 8.848 -1.370 264 HH12 ARG 32 2HH1 ARG 32 -8.257 7.596 -1.064 265 HH21 ARG 32 1HH2 ARG 32 -8.240 6.372 -4.368 266 HH22 ARG 32 2HH2 ARG 32 -8.906 6.188 -2.774 267 H CYS 33 H CYS 33 -0.075 8.793 -3.972 268 HA CYS 33 HA CYS 33 0.148 10.410 -1.518 269 HB2 CYS 33 2HB CYS 33 2.051 9.835 -3.789 270 HB3 CYS 33 3HB CYS 33 2.394 10.993 -2.521 271 H SER 34 H SER 34 -1.838 10.995 -3.525 272 HA SER 34 HA SER 34 -2.948 12.676 -4.464 273 HB2 SER 34 2HB SER 34 -2.383 13.961 -2.433 274 HB3 SER 34 3HB SER 34 -0.859 14.459 -3.160 275 HG SER 34 HG SER 34 -3.397 15.444 -3.529 276 H ASP 35 H ASP 35 0.342 14.046 -4.813 277 HA ASP 35 HA ASP 35 -0.311 14.814 -7.545 278 HB2 ASP 35 2HB ASP 35 0.864 16.269 -5.721 279 HB3 ASP 35 3HB ASP 35 2.321 15.369 -6.128 280 H THR 36 H THR 36 0.889 11.990 -6.361 281 HA THR 36 HA THR 36 2.275 11.375 -8.916 282 HB THR 36 HB THR 36 3.437 9.486 -7.599 283 HG1 THR 36 HG1 THR 36 3.666 10.129 -5.283 284 HG21 THR 36 1HG2 THR 36 4.685 11.493 -8.316 285 HG22 THR 36 2HG2 THR 36 5.242 10.926 -6.743 286 HG23 THR 36 3HG2 THR 36 4.192 12.341 -6.847 287 H LYS 37 H LYS 37 0.768 9.545 -6.220 288 HA LYS 37 HA LYS 37 -0.631 7.767 -6.132 289 HB2 LYS 37 2HB LYS 37 -2.272 9.314 -7.196 290 HB3 LYS 37 3HB LYS 37 -1.729 8.786 -8.782 291 HG2 LYS 37 2HG LYS 37 -2.479 6.415 -8.089 292 HG3 LYS 37 3HG LYS 37 -3.267 7.185 -6.708 293 HD2 LYS 37 2HD LYS 37 -3.831 7.798 -9.639 294 HD3 LYS 37 3HD LYS 37 -4.848 6.798 -8.598 295 HE2 LYS 37 2HE LYS 37 -5.420 8.701 -7.222 296 HE3 LYS 37 3HE LYS 37 -4.226 9.717 -8.034 297 HZ1 LYS 37 1HZ LYS 37 -6.632 8.554 -9.324 298 HZ2 LYS 37 2HZ LYS 37 -5.504 9.569 -10.063 299 HZ3 LYS 37 3HZ LYS 37 -6.477 10.155 -8.810 300 H TYR 38 H TYR 38 0.780 6.097 -6.261 301 HA TYR 38 HA TYR 38 1.350 4.860 -8.898 302 HB2 TYR 38 2HB TYR 38 3.601 4.164 -7.875 303 HB3 TYR 38 3HB TYR 38 3.425 5.861 -8.265 304 HD1 TYR 38 HD1 TYR 38 3.739 3.440 -5.516 305 HD2 TYR 38 HD2 TYR 38 3.331 7.569 -6.482 306 HE1 TYR 38 HE1 TYR 38 4.344 4.002 -3.220 307 HE2 TYR 38 HE2 TYR 38 3.971 8.167 -4.179 308 HH TYR 38 HH TYR 38 5.416 6.027 -2.065 309 H THR 39 H THR 39 1.119 2.657 -9.005 310 HA THR 39 HA THR 39 -0.160 1.388 -6.660 311 HB THR 39 HB THR 39 -0.558 0.710 -9.606 312 HG1 THR 39 HG1 THR 39 -1.402 2.804 -9.041 313 HG21 THR 39 1HG2 THR 39 -2.552 -0.544 -8.802 314 HG22 THR 39 2HG2 THR 39 -2.114 -0.168 -7.137 315 HG23 THR 39 3HG2 THR 39 -1.059 -1.198 -8.101 316 H LEU 40 H LEU 40 1.412 0.238 -5.694 317 HA LEU 40 HA LEU 40 3.215 -1.541 -7.115 318 HB2 LEU 40 2HB LEU 40 2.632 -1.130 -4.151 319 HB3 LEU 40 3HB LEU 40 3.748 -2.349 -4.751 320 HG LEU 40 HG LEU 40 4.999 -0.350 -5.880 321 HD11 LEU 40 1HD1 LEU 40 3.430 1.197 -3.819 322 HD12 LEU 40 2HD1 LEU 40 3.274 1.337 -5.572 323 HD13 LEU 40 3HD1 LEU 40 4.778 1.807 -4.782 324 HD21 LEU 40 1HD2 LEU 40 6.336 0.065 -3.878 325 HD22 LEU 40 2HD2 LEU 40 5.915 -1.644 -3.998 326 HD23 LEU 40 3HD2 LEU 40 5.054 -0.603 -2.860 327 H CYS 41 H CYS 41 3.137 -3.955 -6.042 328 HA CYS 41 HA CYS 41 0.480 -4.962 -5.664 329 HB2 CYS 41 2HB CYS 41 0.629 -4.550 -8.188 330 HB3 CYS 41 3HB CYS 41 1.858 -5.813 -8.257 Start of MODEL 17 1 H1 SER 1 1H SER 1 -0.774 -16.437 0.446 2 H2 SER 1 2H SER 1 0.147 -15.725 1.660 3 H3 SER 1 3H SER 1 0.166 -15.078 0.106 4 HA SER 1 HA SER 1 -2.166 -14.514 0.270 5 HB2 SER 1 2HB SER 1 -1.885 -15.446 3.160 6 HB3 SER 1 3HB SER 1 -3.350 -14.815 2.399 7 HG SER 1 HG SER 1 -2.493 -17.326 2.469 8 H GLN 2 H GLN 2 0.557 -14.138 2.420 9 HA GLN 2 HA GLN 2 -0.280 -11.541 3.456 10 HB2 GLN 2 2HB GLN 2 0.593 -13.390 4.950 11 HB3 GLN 2 3HB GLN 2 2.157 -13.245 4.162 12 HG2 GLN 2 2HG GLN 2 2.149 -12.124 6.352 13 HG3 GLN 2 3HG GLN 2 2.420 -10.965 5.048 14 HE21 GLN 2 1HE2 GLN 2 1.714 -9.212 6.266 15 HE22 GLN 2 2HE2 GLN 2 0.061 -8.980 6.702 16 H GLU 3 H GLU 3 1.323 -12.443 0.666 17 HA GLU 3 HA GLU 3 3.713 -10.897 0.689 18 HB2 GLU 3 2HB GLU 3 3.289 -12.737 -0.914 19 HB3 GLU 3 3HB GLU 3 2.001 -11.801 -1.665 20 HG2 GLU 3 2HG GLU 3 3.710 -10.087 -2.332 21 HG3 GLU 3 3HG GLU 3 4.967 -11.142 -1.687 22 H THR 4 H THR 4 0.510 -10.231 -0.729 23 HA THR 4 HA THR 4 1.045 -7.581 -1.611 24 HB THR 4 HB THR 4 -1.745 -8.620 -0.939 25 HG1 THR 4 HG1 THR 4 0.058 -9.512 -2.878 26 HG21 THR 4 1HG2 THR 4 -0.726 -6.881 -3.217 27 HG22 THR 4 2HG2 THR 4 -1.521 -6.269 -1.763 28 HG23 THR 4 3HG2 THR 4 -2.409 -7.294 -2.893 29 H ARG 5 H ARG 5 -0.319 -8.981 1.317 30 HA ARG 5 HA ARG 5 -1.329 -6.617 2.511 31 HB2 ARG 5 2HB ARG 5 -0.619 -9.312 3.728 32 HB3 ARG 5 3HB ARG 5 -1.456 -8.029 4.593 33 HG2 ARG 5 2HG ARG 5 -3.302 -8.157 2.917 34 HG3 ARG 5 3HG ARG 5 -2.483 -9.535 2.171 35 HD2 ARG 5 2HD ARG 5 -2.722 -10.843 4.204 36 HD3 ARG 5 3HD ARG 5 -3.361 -9.450 5.083 37 HE ARG 5 HE ARG 5 -4.876 -10.329 2.756 38 HH11 ARG 5 1HH1 ARG 5 -4.564 -10.499 6.275 39 HH12 ARG 5 2HH1 ARG 5 -6.202 -11.013 6.507 40 HH21 ARG 5 1HH2 ARG 5 -7.027 -10.965 3.109 41 HH22 ARG 5 2HH2 ARG 5 -7.586 -11.276 4.716 42 H LYS 6 H LYS 6 1.792 -8.325 2.785 43 HA LYS 6 HA LYS 6 2.800 -6.725 4.962 44 HB2 LYS 6 2HB LYS 6 4.771 -8.034 4.876 45 HB3 LYS 6 3HB LYS 6 3.565 -9.155 4.276 46 HG2 LYS 6 2HG LYS 6 5.206 -9.554 2.713 47 HG3 LYS 6 3HG LYS 6 4.392 -8.216 1.901 48 HD2 LYS 6 2HD LYS 6 6.164 -6.720 3.213 49 HD3 LYS 6 3HD LYS 6 7.062 -8.232 3.350 50 HE2 LYS 6 2HE LYS 6 7.066 -8.444 0.893 51 HE3 LYS 6 3HE LYS 6 6.144 -6.941 0.757 52 HZ1 LYS 6 1HZ LYS 6 8.497 -6.574 0.374 53 HZ2 LYS 6 2HZ LYS 6 8.882 -7.203 1.896 54 HZ3 LYS 6 3HZ LYS 6 8.005 -5.764 1.776 55 H LYS 7 H LYS 7 2.890 -6.648 1.454 56 HA LYS 7 HA LYS 7 4.850 -4.645 1.056 57 HB2 LYS 7 2HB LYS 7 4.065 -6.120 -0.749 58 HB3 LYS 7 3HB LYS 7 2.443 -5.442 -0.641 59 HG2 LYS 7 2HG LYS 7 3.269 -3.270 -1.459 60 HG3 LYS 7 3HG LYS 7 4.923 -3.889 -1.488 61 HD2 LYS 7 2HD LYS 7 2.621 -4.971 -3.162 62 HD3 LYS 7 3HD LYS 7 3.868 -3.869 -3.750 63 HE2 LYS 7 2HE LYS 7 5.588 -5.547 -3.416 64 HE3 LYS 7 3HE LYS 7 4.438 -6.638 -2.637 65 HZ1 LYS 7 1HZ LYS 7 4.325 -5.756 -5.472 66 HZ2 LYS 7 2HZ LYS 7 3.250 -6.825 -4.727 67 HZ3 LYS 7 3HZ LYS 7 4.870 -7.264 -4.931 68 H CYS 8 H CYS 8 1.311 -4.558 1.469 69 HA CYS 8 HA CYS 8 0.950 -1.758 1.346 70 HB2 CYS 8 2HB CYS 8 -0.911 -3.383 1.121 71 HB3 CYS 8 3HB CYS 8 -0.759 -3.798 2.826 72 H THR 9 H THR 9 1.632 -3.976 4.064 73 HA THR 9 HA THR 9 1.444 -2.211 6.232 74 HB THR 9 HB THR 9 3.328 -4.600 5.891 75 HG1 THR 9 HG1 THR 9 0.821 -4.712 5.812 76 HG21 THR 9 1HG2 THR 9 3.377 -4.720 8.358 77 HG22 THR 9 2HG2 THR 9 2.377 -3.271 8.465 78 HG23 THR 9 3HG2 THR 9 4.013 -3.163 7.812 79 H GLU 10 H GLU 10 4.206 -3.069 4.198 80 HA GLU 10 HA GLU 10 6.215 -1.525 5.387 81 HB2 GLU 10 2HB GLU 10 6.555 -3.452 3.806 82 HB3 GLU 10 3HB GLU 10 6.044 -2.417 2.477 83 HG2 GLU 10 2HG GLU 10 7.944 -0.898 2.951 84 HG3 GLU 10 3HG GLU 10 8.462 -1.968 4.258 85 H MET 11 H MET 11 4.038 -0.865 2.653 86 HA MET 11 HA MET 11 5.194 1.661 1.983 87 HB2 MET 11 2HB MET 11 2.489 0.503 1.213 88 HB3 MET 11 3HB MET 11 3.176 1.967 0.539 89 HG2 MET 11 2HG MET 11 4.412 -0.776 0.223 90 HG3 MET 11 3HG MET 11 3.316 -0.043 -0.936 91 HE1 MET 11 1HE MET 11 6.824 0.549 0.901 92 HE2 MET 11 2HE MET 11 7.788 0.728 -0.567 93 HE3 MET 11 3HE MET 11 6.909 -0.773 -0.270 94 H LYS 12 H LYS 12 2.567 0.689 4.226 95 HA LYS 12 HA LYS 12 1.472 3.322 4.636 96 HB2 LYS 12 2HB LYS 12 1.398 0.848 6.416 97 HB3 LYS 12 3HB LYS 12 0.583 2.349 6.837 98 HG2 LYS 12 2HG LYS 12 -0.849 2.135 4.832 99 HG3 LYS 12 3HG LYS 12 -0.037 0.627 4.413 100 HD2 LYS 12 2HD LYS 12 -1.754 1.153 6.875 101 HD3 LYS 12 3HD LYS 12 -2.149 0.100 5.515 102 HE2 LYS 12 2HE LYS 12 -0.251 -1.380 6.128 103 HE3 LYS 12 3HE LYS 12 0.120 -0.329 7.493 104 HZ1 LYS 12 1HZ LYS 12 -2.261 -2.042 7.114 105 HZ2 LYS 12 2HZ LYS 12 -2.206 -0.816 8.273 106 HZ3 LYS 12 3HZ LYS 12 -1.118 -2.103 8.356 107 H LYS 13 H LYS 13 3.752 1.338 6.512 108 HA LYS 13 HA LYS 13 4.284 3.282 8.517 109 HB2 LYS 13 2HB LYS 13 6.013 1.711 9.315 110 HB3 LYS 13 3HB LYS 13 4.509 0.875 8.949 111 HG2 LYS 13 2HG LYS 13 5.550 0.295 6.682 112 HG3 LYS 13 3HG LYS 13 7.080 0.857 7.349 113 HD2 LYS 13 2HD LYS 13 5.388 -1.414 8.475 114 HD3 LYS 13 3HD LYS 13 6.822 -1.607 7.469 115 HE2 LYS 13 2HE LYS 13 6.746 -0.386 10.244 116 HE3 LYS 13 3HE LYS 13 7.376 -1.973 9.808 117 HZ1 LYS 13 1HZ LYS 13 8.462 0.641 8.918 118 HZ2 LYS 13 2HZ LYS 13 9.038 -0.866 8.423 119 HZ3 LYS 13 3HZ LYS 13 9.165 -0.406 10.043 120 H LYS 14 H LYS 14 5.615 2.756 5.374 121 HA LYS 14 HA LYS 14 7.922 4.515 5.722 122 HB2 LYS 14 2HB LYS 14 7.544 2.407 4.072 123 HB3 LYS 14 3HB LYS 14 6.868 3.624 3.011 124 HG2 LYS 14 2HG LYS 14 9.695 3.604 4.119 125 HG3 LYS 14 3HG LYS 14 9.220 3.094 2.499 126 HD2 LYS 14 2HD LYS 14 8.404 5.427 2.070 127 HD3 LYS 14 3HD LYS 14 9.035 5.899 3.650 128 HE2 LYS 14 2HE LYS 14 10.679 4.813 1.334 129 HE3 LYS 14 3HE LYS 14 10.594 6.499 1.841 130 HZ1 LYS 14 1HZ LYS 14 11.624 4.272 3.513 131 HZ2 LYS 14 2HZ LYS 14 11.601 5.908 3.936 132 HZ3 LYS 14 3HZ LYS 14 12.575 5.380 2.664 133 H PHE 15 H PHE 15 5.177 4.535 3.438 134 HA PHE 15 HA PHE 15 5.161 7.438 3.208 135 HB2 PHE 15 2HB PHE 15 3.335 5.416 1.845 136 HB3 PHE 15 3HB PHE 15 3.587 7.083 1.364 137 HD1 PHE 15 HD1 PHE 15 4.341 3.839 0.453 138 HD2 PHE 15 HD2 PHE 15 6.318 7.595 1.037 139 HE1 PHE 15 HE1 PHE 15 6.150 3.128 -1.041 140 HE2 PHE 15 HE2 PHE 15 8.127 6.859 -0.469 141 HZ PHE 15 HZ PHE 15 8.036 4.622 -1.512 142 H LYS 16 H LYS 16 4.573 7.507 5.552 143 HA LYS 16 HA LYS 16 1.954 6.959 6.498 144 HB2 LYS 16 2HB LYS 16 2.617 8.435 8.402 145 HB3 LYS 16 3HB LYS 16 3.845 7.231 8.017 146 HG2 LYS 16 2HG LYS 16 5.160 8.935 6.797 147 HG3 LYS 16 3HG LYS 16 3.936 10.153 7.167 148 HD2 LYS 16 2HD LYS 16 4.415 9.885 9.591 149 HD3 LYS 16 3HD LYS 16 5.631 8.662 9.216 150 HE2 LYS 16 2HE LYS 16 6.966 10.341 8.010 151 HE3 LYS 16 3HE LYS 16 5.736 11.568 8.330 152 HZ1 LYS 16 1HZ LYS 16 7.404 10.166 10.351 153 HZ2 LYS 16 2HZ LYS 16 6.145 11.230 10.722 154 HZ3 LYS 16 3HZ LYS 16 7.511 11.793 9.901 155 H ASN 17 H ASN 17 3.236 9.475 4.536 156 HA ASN 17 HA ASN 17 1.075 11.413 5.039 157 HB2 ASN 17 2HB ASN 17 3.632 11.608 3.383 158 HB3 ASN 17 3HB ASN 17 2.483 12.925 3.614 159 HD21 ASN 17 1HD2 ASN 17 5.348 12.670 4.355 160 HD22 ASN 17 2HD2 ASN 17 5.411 13.014 6.048 161 H CYS 18 H CYS 18 1.068 8.742 3.337 162 HA CYS 18 HA CYS 18 -0.532 9.842 1.107 163 HB2 CYS 18 2HB CYS 18 1.552 7.625 0.847 164 HB3 CYS 18 3HB CYS 18 0.447 8.141 -0.426 165 H GLU 19 H GLU 19 -2.213 8.432 0.361 166 HA GLU 19 HA GLU 19 -3.350 6.744 2.413 167 HB2 GLU 19 2HB GLU 19 -4.813 8.265 1.057 168 HB3 GLU 19 3HB GLU 19 -4.420 7.336 -0.385 169 HG2 GLU 19 2HG GLU 19 -5.391 5.284 0.838 170 HG3 GLU 19 3HG GLU 19 -6.022 6.416 2.031 171 H VAL 20 H VAL 20 -1.751 5.090 2.430 172 HA VAL 20 HA VAL 20 -1.417 3.318 0.146 173 HB VAL 20 HB VAL 20 -0.573 2.949 3.059 174 HG11 VAL 20 1HG1 VAL 20 0.951 1.221 2.167 175 HG12 VAL 20 2HG1 VAL 20 0.299 1.475 0.546 176 HG13 VAL 20 3HG1 VAL 20 -0.732 0.822 1.822 177 HG21 VAL 20 1HG2 VAL 20 1.634 3.710 2.377 178 HG22 VAL 20 2HG2 VAL 20 0.441 4.959 2.032 179 HG23 VAL 20 3HG2 VAL 20 1.074 3.957 0.726 180 H ARG 21 H ARG 21 -3.141 2.071 -0.353 181 HA ARG 21 HA ARG 21 -4.985 1.127 1.750 182 HB2 ARG 21 2HB ARG 21 -6.718 1.063 -0.062 183 HB3 ARG 21 3HB ARG 21 -6.091 2.674 0.258 184 HG2 ARG 21 2HG ARG 21 -4.572 2.365 -1.765 185 HG3 ARG 21 3HG ARG 21 -5.494 0.904 -2.128 186 HD2 ARG 21 2HD ARG 21 -6.582 3.740 -1.979 187 HD3 ARG 21 3HD ARG 21 -6.326 2.787 -3.444 188 HE ARG 21 HE ARG 21 -8.049 1.219 -2.532 189 HH11 ARG 21 1HH1 ARG 21 -8.073 4.596 -1.506 190 HH12 ARG 21 2HH1 ARG 21 -9.773 4.588 -1.152 191 HH21 ARG 21 1HH2 ARG 21 -10.279 1.256 -2.093 192 HH22 ARG 21 2HH2 ARG 21 -11.015 2.700 -1.483 193 H CYS 22 H CYS 22 -5.068 -0.956 2.102 194 HA CYS 22 HA CYS 22 -3.419 -2.813 0.651 195 HB2 CYS 22 2HB CYS 22 -5.304 -3.332 2.981 196 HB3 CYS 22 3HB CYS 22 -4.001 -4.384 2.430 197 H ASP 23 H ASP 23 -4.124 -4.748 -0.294 198 HA ASP 23 HA ASP 23 -6.920 -5.161 -0.977 199 HB2 ASP 23 2HB ASP 23 -6.301 -3.569 -2.717 200 HB3 ASP 23 3HB ASP 23 -4.802 -4.424 -3.052 201 H GLU 24 H GLU 24 -7.291 -7.192 -1.862 202 HA GLU 24 HA GLU 24 -5.121 -9.147 -2.181 203 HB2 GLU 24 2HB GLU 24 -6.229 -10.762 -0.688 204 HB3 GLU 24 3HB GLU 24 -5.866 -9.286 0.202 205 HG2 GLU 24 2HG GLU 24 -8.262 -8.553 -0.219 206 HG3 GLU 24 3HG GLU 24 -8.563 -10.163 -0.870 207 H SER 25 H SER 25 -7.828 -7.663 -3.336 208 HA SER 25 HA SER 25 -9.366 -9.914 -4.300 209 HB2 SER 25 2HB SER 25 -10.474 -7.829 -3.579 210 HB3 SER 25 3HB SER 25 -9.626 -6.921 -4.832 211 HG SER 25 HG SER 25 -11.233 -7.435 -6.069 212 H ASN 26 H ASN 26 -7.280 -7.369 -5.742 213 HA ASN 26 HA ASN 26 -6.915 -9.088 -8.158 214 HB2 ASN 26 2HB ASN 26 -6.318 -6.984 -9.388 215 HB3 ASN 26 3HB ASN 26 -7.971 -6.965 -8.782 216 HD21 ASN 26 1HD2 ASN 26 -8.478 -5.601 -6.987 217 HD22 ASN 26 2HD2 ASN 26 -7.460 -4.271 -6.561 218 H HIS 27 H HIS 27 -5.506 -8.259 -5.328 219 HA HIS 27 HA HIS 27 -3.496 -8.278 -4.375 220 HB2 HIS 27 2HB HIS 27 -2.898 -10.065 -6.749 221 HB3 HIS 27 3HB HIS 27 -1.666 -9.716 -5.542 222 HD1 HIS 27 HD1 HIS 27 -1.690 -11.085 -3.461 223 HD2 HIS 27 HD2 HIS 27 -5.200 -11.478 -5.635 224 HE1 HIS 27 HE1 HIS 27 -3.026 -12.830 -2.262 225 HE2 HIS 27 HE2 HIS 27 -5.215 -12.906 -3.488 226 H CYS 28 H CYS 28 -3.661 -5.927 -4.893 227 HA CYS 28 HA CYS 28 -1.059 -5.044 -5.777 228 HB2 CYS 28 2HB CYS 28 -2.445 -5.177 -7.905 229 HB3 CYS 28 3HB CYS 28 -3.463 -3.902 -7.250 230 H VAL 29 H VAL 29 -0.433 -3.437 -4.513 231 HA VAL 29 HA VAL 29 -2.284 -2.071 -2.705 232 HB VAL 29 HB VAL 29 0.777 -2.018 -2.839 233 HG11 VAL 29 1HG1 VAL 29 -1.039 -0.966 -0.633 234 HG12 VAL 29 2HG1 VAL 29 -0.074 0.014 -1.741 235 HG13 VAL 29 3HG1 VAL 29 0.727 -1.037 -0.571 236 HG21 VAL 29 1HG2 VAL 29 0.737 -3.538 -0.902 237 HG22 VAL 29 2HG2 VAL 29 -0.051 -4.263 -2.308 238 HG23 VAL 29 3HG2 VAL 29 -1.025 -3.608 -0.988 239 H GLU 30 H GLU 30 -3.165 -0.191 -3.462 240 HA GLU 30 HA GLU 30 -1.639 1.620 -5.214 241 HB2 GLU 30 2HB GLU 30 -3.989 1.270 -5.785 242 HB3 GLU 30 3HB GLU 30 -4.495 1.710 -4.160 243 HG2 GLU 30 2HG GLU 30 -3.794 4.032 -4.525 244 HG3 GLU 30 3HG GLU 30 -3.176 3.619 -6.123 245 H VAL 31 H VAL 31 -0.787 3.516 -4.504 246 HA VAL 31 HA VAL 31 -1.140 4.362 -1.686 247 HB VAL 31 HB VAL 31 1.422 4.589 -3.342 248 HG11 VAL 31 1HG1 VAL 31 0.841 5.312 -0.454 249 HG12 VAL 31 2HG1 VAL 31 1.194 6.426 -1.774 250 HG13 VAL 31 3HG1 VAL 31 2.445 5.328 -1.191 251 HG21 VAL 31 1HG2 VAL 31 1.048 2.239 -2.727 252 HG22 VAL 31 2HG2 VAL 31 0.856 2.695 -1.031 253 HG23 VAL 31 3HG2 VAL 31 2.416 2.911 -1.833 254 H ARG 32 H ARG 32 -2.227 6.228 -1.752 255 HA ARG 32 HA ARG 32 -2.169 7.893 -4.190 256 HB2 ARG 32 2HB ARG 32 -4.303 6.671 -3.618 257 HB3 ARG 32 3HB ARG 32 -4.385 7.590 -2.118 258 HG2 ARG 32 2HG ARG 32 -4.611 9.678 -3.379 259 HG3 ARG 32 3HG ARG 32 -4.429 8.799 -4.894 260 HD2 ARG 32 2HD ARG 32 -6.519 7.467 -4.191 261 HD3 ARG 32 3HD ARG 32 -6.742 8.699 -2.943 262 HE ARG 32 HE ARG 32 -6.416 9.647 -5.673 263 HH11 ARG 32 1HH1 ARG 32 -8.725 8.867 -3.138 264 HH12 ARG 32 2HH1 ARG 32 -10.002 9.798 -3.855 265 HH21 ARG 32 1HH2 ARG 32 -8.101 10.846 -6.607 266 HH22 ARG 32 2HH2 ARG 32 -9.644 10.913 -5.820 267 H CYS 33 H CYS 33 -0.437 9.216 -3.524 268 HA CYS 33 HA CYS 33 -0.378 10.647 -1.059 269 HB2 CYS 33 2HB CYS 33 1.119 11.153 -3.663 270 HB3 CYS 33 3HB CYS 33 1.482 11.931 -2.121 271 H SER 34 H SER 34 -0.545 12.232 -4.270 272 HA SER 34 HA SER 34 -3.039 13.578 -3.722 273 HB2 SER 34 2HB SER 34 -0.470 15.246 -3.852 274 HB3 SER 34 3HB SER 34 -2.104 15.910 -3.875 275 HG SER 34 HG SER 34 -2.238 14.599 -1.767 276 H ASP 35 H ASP 35 -0.167 14.445 -5.638 277 HA ASP 35 HA ASP 35 -1.716 14.288 -8.151 278 HB2 ASP 35 2HB ASP 35 0.863 15.769 -7.470 279 HB3 ASP 35 3HB ASP 35 0.188 15.694 -9.093 280 H THR 36 H THR 36 0.582 12.583 -6.362 281 HA THR 36 HA THR 36 2.157 11.578 -8.578 282 HB THR 36 HB THR 36 2.231 10.677 -5.659 283 HG1 THR 36 HG1 THR 36 3.754 12.728 -6.946 284 HG21 THR 36 1HG2 THR 36 3.409 9.143 -7.192 285 HG22 THR 36 2HG2 THR 36 4.560 10.019 -6.178 286 HG23 THR 36 3HG2 THR 36 4.323 10.499 -7.859 287 H LYS 37 H LYS 37 0.575 9.753 -5.935 288 HA LYS 37 HA LYS 37 -0.504 7.802 -5.791 289 HB2 LYS 37 2HB LYS 37 -2.253 9.361 -6.790 290 HB3 LYS 37 3HB LYS 37 -1.927 8.638 -8.350 291 HG2 LYS 37 2HG LYS 37 -2.895 7.002 -5.974 292 HG3 LYS 37 3HG LYS 37 -4.007 7.820 -7.066 293 HD2 LYS 37 2HD LYS 37 -2.036 5.635 -7.824 294 HD3 LYS 37 3HD LYS 37 -3.778 5.446 -7.634 295 HE2 LYS 37 2HE LYS 37 -2.413 7.160 -9.747 296 HE3 LYS 37 3HE LYS 37 -3.139 5.574 -10.002 297 HZ1 LYS 37 1HZ LYS 37 -4.597 7.385 -10.674 298 HZ2 LYS 37 2HZ LYS 37 -4.622 7.972 -9.090 299 HZ3 LYS 37 3HZ LYS 37 -5.273 6.457 -9.440 300 H TYR 38 H TYR 38 1.035 6.251 -6.010 301 HA TYR 38 HA TYR 38 1.499 5.021 -8.675 302 HB2 TYR 38 2HB TYR 38 3.669 4.131 -7.553 303 HB3 TYR 38 3HB TYR 38 3.629 5.827 -7.996 304 HD1 TYR 38 HD1 TYR 38 3.712 3.478 -5.142 305 HD2 TYR 38 HD2 TYR 38 3.503 7.585 -6.293 306 HE1 TYR 38 HE1 TYR 38 4.228 4.144 -2.847 307 HE2 TYR 38 HE2 TYR 38 4.057 8.259 -4.006 308 HH TYR 38 HH TYR 38 3.834 7.327 -1.759 309 H THR 39 H THR 39 1.655 2.697 -8.672 310 HA THR 39 HA THR 39 0.059 1.397 -6.544 311 HB THR 39 HB THR 39 -0.413 1.092 -9.556 312 HG1 THR 39 HG1 THR 39 -1.461 2.838 -7.630 313 HG21 THR 39 1HG2 THR 39 -2.011 0.114 -7.162 314 HG22 THR 39 2HG2 THR 39 -1.113 -0.895 -8.298 315 HG23 THR 39 3HG2 THR 39 -2.535 -0.001 -8.839 316 H LEU 40 H LEU 40 1.360 -0.108 -5.723 317 HA LEU 40 HA LEU 40 3.388 -1.551 -7.289 318 HB2 LEU 40 2HB LEU 40 3.042 -0.931 -4.331 319 HB3 LEU 40 3HB LEU 40 3.981 -2.340 -4.802 320 HG LEU 40 HG LEU 40 5.443 -0.717 -6.188 321 HD11 LEU 40 1HD1 LEU 40 4.033 1.352 -4.494 322 HD12 LEU 40 2HD1 LEU 40 3.956 1.201 -6.252 323 HD13 LEU 40 3HD1 LEU 40 5.479 1.629 -5.471 324 HD21 LEU 40 1HD2 LEU 40 6.229 -1.752 -4.110 325 HD22 LEU 40 2HD2 LEU 40 5.468 -0.472 -3.161 326 HD23 LEU 40 3HD2 LEU 40 6.812 -0.091 -4.240 327 H CYS 41 H CYS 41 2.381 -3.252 -8.253 328 HA CYS 41 HA CYS 41 0.267 -4.728 -6.940 329 HB2 CYS 41 2HB CYS 41 1.526 -5.023 -9.682 330 HB3 CYS 41 3HB CYS 41 0.253 -6.079 -9.082 Start of MODEL 18 1 H1 SER 1 1H SER 1 4.597 -15.158 -0.338 2 H2 SER 1 2H SER 1 4.789 -16.762 0.152 3 H3 SER 1 3H SER 1 5.397 -15.511 1.106 4 HA SER 1 HA SER 1 2.546 -16.012 0.530 5 HB2 SER 1 2HB SER 1 2.468 -16.596 3.003 6 HB3 SER 1 3HB SER 1 3.418 -17.719 2.036 7 HG SER 1 HG SER 1 5.234 -17.012 2.947 8 H GLN 2 H GLN 2 1.201 -14.297 0.963 9 HA GLN 2 HA GLN 2 0.298 -12.421 1.839 10 HB2 GLN 2 2HB GLN 2 1.140 -13.494 4.011 11 HB3 GLN 2 3HB GLN 2 2.559 -12.463 3.901 12 HG2 GLN 2 2HG GLN 2 1.137 -10.475 4.118 13 HG3 GLN 2 3HG GLN 2 -0.300 -11.494 4.171 14 HE21 GLN 2 1HE2 GLN 2 0.863 -13.535 5.909 15 HE22 GLN 2 2HE2 GLN 2 1.002 -12.820 7.475 16 H GLU 3 H GLU 3 2.033 -12.170 -0.376 17 HA GLU 3 HA GLU 3 4.221 -10.412 -0.138 18 HB2 GLU 3 2HB GLU 3 2.475 -10.810 -2.600 19 HB3 GLU 3 3HB GLU 3 4.067 -10.069 -2.594 20 HG2 GLU 3 2HG GLU 3 4.392 -12.236 -3.438 21 HG3 GLU 3 3HG GLU 3 4.966 -12.296 -1.777 22 H THR 4 H THR 4 0.981 -9.740 -1.454 23 HA THR 4 HA THR 4 1.415 -6.930 -1.714 24 HB THR 4 HB THR 4 -0.034 -8.141 -3.268 25 HG1 THR 4 HG1 THR 4 -1.863 -6.466 -1.985 26 HG21 THR 4 1HG2 THR 4 -1.964 -8.536 -0.946 27 HG22 THR 4 2HG2 THR 4 -1.040 -9.814 -1.738 28 HG23 THR 4 3HG2 THR 4 -2.282 -8.941 -2.633 29 H ARG 5 H ARG 5 0.043 -8.934 0.810 30 HA ARG 5 HA ARG 5 -1.535 -6.905 2.094 31 HB2 ARG 5 2HB ARG 5 -0.542 -9.596 3.101 32 HB3 ARG 5 3HB ARG 5 -1.631 -8.557 4.009 33 HG2 ARG 5 2HG ARG 5 -3.312 -8.765 2.178 34 HG3 ARG 5 3HG ARG 5 -2.216 -9.860 1.331 35 HD2 ARG 5 2HD ARG 5 -2.395 -11.518 3.080 36 HD3 ARG 5 3HD ARG 5 -3.268 -10.399 4.131 37 HE ARG 5 HE ARG 5 -4.885 -10.530 1.993 38 HH11 ARG 5 1HH1 ARG 5 -3.472 -13.097 3.949 39 HH12 ARG 5 2HH1 ARG 5 -4.783 -14.195 3.653 40 HH21 ARG 5 1HH2 ARG 5 -6.567 -11.998 1.629 41 HH22 ARG 5 2HH2 ARG 5 -6.526 -13.573 2.352 42 H LYS 6 H LYS 6 1.631 -8.424 2.865 43 HA LYS 6 HA LYS 6 2.233 -6.648 5.030 44 HB2 LYS 6 2HB LYS 6 4.355 -7.739 5.180 45 HB3 LYS 6 3HB LYS 6 3.234 -8.990 4.676 46 HG2 LYS 6 2HG LYS 6 5.032 -9.458 3.277 47 HG3 LYS 6 3HG LYS 6 4.092 -8.388 2.238 48 HD2 LYS 6 2HD LYS 6 5.591 -6.475 3.159 49 HD3 LYS 6 3HD LYS 6 6.624 -7.749 3.793 50 HE2 LYS 6 2HE LYS 6 5.891 -7.380 0.878 51 HE3 LYS 6 3HE LYS 6 7.404 -6.862 1.618 52 HZ1 LYS 6 1HZ LYS 6 7.895 -9.162 2.149 53 HZ2 LYS 6 2HZ LYS 6 7.655 -8.967 0.488 54 HZ3 LYS 6 3HZ LYS 6 6.443 -9.657 1.439 55 H LYS 7 H LYS 7 2.634 -6.531 1.560 56 HA LYS 7 HA LYS 7 4.643 -4.563 1.333 57 HB2 LYS 7 2HB LYS 7 3.874 -5.981 -0.554 58 HB3 LYS 7 3HB LYS 7 2.324 -5.152 -0.547 59 HG2 LYS 7 2HG LYS 7 3.495 -3.031 -1.136 60 HG3 LYS 7 3HG LYS 7 5.015 -3.925 -1.235 61 HD2 LYS 7 2HD LYS 7 2.549 -4.392 -2.962 62 HD3 LYS 7 3HD LYS 7 4.018 -3.561 -3.464 63 HE2 LYS 7 2HE LYS 7 5.299 -5.667 -3.149 64 HE3 LYS 7 3HE LYS 7 3.806 -6.492 -2.696 65 HZ1 LYS 7 1HZ LYS 7 4.425 -6.840 -5.014 66 HZ2 LYS 7 2HZ LYS 7 4.295 -5.190 -5.307 67 HZ3 LYS 7 3HZ LYS 7 2.926 -6.078 -4.873 68 H CYS 8 H CYS 8 1.094 -4.347 1.515 69 HA CYS 8 HA CYS 8 0.880 -1.532 1.429 70 HB2 CYS 8 2HB CYS 8 -1.066 -3.042 1.088 71 HB3 CYS 8 3HB CYS 8 -1.005 -3.501 2.794 72 H THR 9 H THR 9 1.296 -3.815 4.124 73 HA THR 9 HA THR 9 1.147 -2.024 6.299 74 HB THR 9 HB THR 9 2.840 -4.570 6.108 75 HG1 THR 9 HG1 THR 9 0.432 -4.641 5.632 76 HG21 THR 9 1HG2 THR 9 1.621 -3.209 8.546 77 HG22 THR 9 2HG2 THR 9 3.335 -3.213 8.129 78 HG23 THR 9 3HG2 THR 9 2.533 -4.725 8.549 79 H GLU 10 H GLU 10 3.794 -2.941 4.170 80 HA GLU 10 HA GLU 10 5.917 -1.614 5.562 81 HB2 GLU 10 2HB GLU 10 6.366 -3.541 4.117 82 HB3 GLU 10 3HB GLU 10 5.677 -2.706 2.732 83 HG2 GLU 10 2HG GLU 10 7.533 -1.044 2.839 84 HG3 GLU 10 3HG GLU 10 8.234 -1.943 4.181 85 H MET 11 H MET 11 3.799 -0.852 2.833 86 HA MET 11 HA MET 11 4.952 1.662 2.144 87 HB2 MET 11 2HB MET 11 2.177 0.537 1.584 88 HB3 MET 11 3HB MET 11 2.760 2.062 0.933 89 HG2 MET 11 2HG MET 11 3.959 -0.653 0.333 90 HG3 MET 11 3HG MET 11 2.824 0.206 -0.702 91 HE1 MET 11 1HE MET 11 7.336 0.852 -0.480 92 HE2 MET 11 2HE MET 11 6.439 -0.651 -0.288 93 HE3 MET 11 3HE MET 11 6.446 0.544 1.012 94 H LYS 12 H LYS 12 2.593 0.632 4.583 95 HA LYS 12 HA LYS 12 1.694 3.229 5.381 96 HB2 LYS 12 2HB LYS 12 1.954 0.653 6.995 97 HB3 LYS 12 3HB LYS 12 1.162 2.104 7.596 98 HG2 LYS 12 2HG LYS 12 0.261 0.638 5.109 99 HG3 LYS 12 3HG LYS 12 -0.369 0.284 6.724 100 HD2 LYS 12 2HD LYS 12 -1.174 2.634 6.893 101 HD3 LYS 12 3HD LYS 12 -0.550 2.953 5.271 102 HE2 LYS 12 2HE LYS 12 -2.102 1.184 4.392 103 HE3 LYS 12 3HE LYS 12 -2.790 1.043 6.013 104 HZ1 LYS 12 1HZ LYS 12 -3.482 3.315 5.907 105 HZ2 LYS 12 2HZ LYS 12 -4.064 2.503 4.545 106 HZ3 LYS 12 3HZ LYS 12 -2.732 3.533 4.409 107 H LYS 13 H LYS 13 4.331 1.119 6.428 108 HA LYS 13 HA LYS 13 5.387 2.718 8.519 109 HB2 LYS 13 2HB LYS 13 6.690 0.546 6.829 110 HB3 LYS 13 3HB LYS 13 7.411 1.227 8.287 111 HG2 LYS 13 2HG LYS 13 5.625 0.336 9.660 112 HG3 LYS 13 3HG LYS 13 4.738 -0.204 8.230 113 HD2 LYS 13 2HD LYS 13 6.591 -1.778 7.689 114 HD3 LYS 13 3HD LYS 13 7.445 -1.259 9.147 115 HE2 LYS 13 2HE LYS 13 5.628 -2.132 10.547 116 HE3 LYS 13 3HE LYS 13 4.707 -2.581 9.109 117 HZ1 LYS 13 1HZ LYS 13 7.346 -3.696 9.880 118 HZ2 LYS 13 2HZ LYS 13 6.429 -4.147 8.528 119 HZ3 LYS 13 3HZ LYS 13 5.850 -4.464 10.084 120 H LYS 14 H LYS 14 5.964 2.692 5.048 121 HA LYS 14 HA LYS 14 8.243 4.530 5.252 122 HB2 LYS 14 2HB LYS 14 8.356 2.606 3.666 123 HB3 LYS 14 3HB LYS 14 6.984 3.259 2.782 124 HG2 LYS 14 2HG LYS 14 8.256 5.211 2.113 125 HG3 LYS 14 3HG LYS 14 9.609 4.744 3.147 126 HD2 LYS 14 2HD LYS 14 10.005 2.752 1.747 127 HD3 LYS 14 3HD LYS 14 8.633 3.182 0.718 128 HE2 LYS 14 2HE LYS 14 10.758 3.848 -0.327 129 HE3 LYS 14 3HE LYS 14 9.786 5.269 0.056 130 HZ1 LYS 14 1HZ LYS 14 12.098 4.243 1.608 131 HZ2 LYS 14 2HZ LYS 14 11.144 5.566 2.059 132 HZ3 LYS 14 3HZ LYS 14 12.071 5.634 0.647 133 H PHE 15 H PHE 15 4.863 4.491 4.266 134 HA PHE 15 HA PHE 15 5.005 7.333 3.433 135 HB2 PHE 15 2HB PHE 15 3.284 5.137 2.195 136 HB3 PHE 15 3HB PHE 15 3.296 6.827 1.704 137 HD1 PHE 15 HD1 PHE 15 4.385 3.709 0.685 138 HD2 PHE 15 HD2 PHE 15 5.930 7.666 1.207 139 HE1 PHE 15 HE1 PHE 15 6.124 3.263 -0.991 140 HE2 PHE 15 HE2 PHE 15 7.662 7.202 -0.473 141 HZ PHE 15 HZ PHE 15 7.755 5.002 -1.579 142 H LYS 16 H LYS 16 4.487 7.483 5.838 143 HA LYS 16 HA LYS 16 1.699 7.172 6.571 144 HB2 LYS 16 2HB LYS 16 2.310 8.437 8.628 145 HB3 LYS 16 3HB LYS 16 3.339 7.044 8.345 146 HG2 LYS 16 2HG LYS 16 5.121 8.529 7.482 147 HG3 LYS 16 3HG LYS 16 4.092 9.932 7.788 148 HD2 LYS 16 2HD LYS 16 4.111 9.474 10.201 149 HD3 LYS 16 3HD LYS 16 5.008 7.978 9.939 150 HE2 LYS 16 2HE LYS 16 6.089 10.729 9.249 151 HE3 LYS 16 3HE LYS 16 6.402 9.910 10.775 152 HZ1 LYS 16 1HZ LYS 16 7.519 8.154 9.595 153 HZ2 LYS 16 2HZ LYS 16 8.200 9.642 9.164 154 HZ3 LYS 16 3HZ LYS 16 7.150 8.854 8.101 155 H ASN 17 H ASN 17 3.425 9.452 4.711 156 HA ASN 17 HA ASN 17 1.604 11.700 5.116 157 HB2 ASN 17 2HB ASN 17 3.790 11.299 3.026 158 HB3 ASN 17 3HB ASN 17 2.952 12.811 3.363 159 HD21 ASN 17 1HD2 ASN 17 5.309 10.510 4.558 160 HD22 ASN 17 2HD2 ASN 17 6.005 11.550 5.746 161 H CYS 18 H CYS 18 1.674 8.838 3.278 162 HA CYS 18 HA CYS 18 -0.024 9.894 1.092 163 HB2 CYS 18 2HB CYS 18 1.684 7.376 1.183 164 HB3 CYS 18 3HB CYS 18 0.818 8.000 -0.219 165 H GLU 19 H GLU 19 -1.907 8.628 0.414 166 HA GLU 19 HA GLU 19 -3.169 7.075 2.565 167 HB2 GLU 19 2HB GLU 19 -4.514 8.783 1.261 168 HB3 GLU 19 3HB GLU 19 -4.313 7.799 -0.171 169 HG2 GLU 19 2HG GLU 19 -5.533 5.941 0.928 170 HG3 GLU 19 3HG GLU 19 -5.767 6.949 2.353 171 H VAL 20 H VAL 20 -2.057 5.158 2.600 172 HA VAL 20 HA VAL 20 -1.505 3.611 0.190 173 HB VAL 20 HB VAL 20 -1.075 2.973 3.148 174 HG11 VAL 20 1HG1 VAL 20 0.037 1.533 0.708 175 HG12 VAL 20 2HG1 VAL 20 -1.198 0.904 1.800 176 HG13 VAL 20 3HG1 VAL 20 0.439 1.179 2.390 177 HG21 VAL 20 1HG2 VAL 20 0.227 4.938 2.388 178 HG22 VAL 20 2HG2 VAL 20 0.934 3.968 1.093 179 HG23 VAL 20 3HG2 VAL 20 1.272 3.570 2.777 180 H ARG 21 H ARG 21 -2.942 2.149 -0.628 181 HA ARG 21 HA ARG 21 -5.246 1.243 1.012 182 HB2 ARG 21 2HB ARG 21 -5.054 1.591 -2.011 183 HB3 ARG 21 3HB ARG 21 -6.459 0.958 -1.154 184 HG2 ARG 21 2HG ARG 21 -6.720 3.131 0.013 185 HG3 ARG 21 3HG ARG 21 -5.324 3.763 -0.862 186 HD2 ARG 21 2HD ARG 21 -6.498 3.530 -2.987 187 HD3 ARG 21 3HD ARG 21 -7.865 2.756 -2.179 188 HE ARG 21 HE ARG 21 -7.284 5.383 -1.148 189 HH11 ARG 21 1HH1 ARG 21 -8.976 3.689 -3.713 190 HH12 ARG 21 2HH1 ARG 21 -10.115 4.972 -3.972 191 HH21 ARG 21 1HH2 ARG 21 -8.810 7.045 -1.489 192 HH22 ARG 21 2HH2 ARG 21 -10.024 6.866 -2.723 193 H CYS 22 H CYS 22 -5.003 -0.765 1.662 194 HA CYS 22 HA CYS 22 -3.263 -2.708 0.430 195 HB2 CYS 22 2HB CYS 22 -5.315 -3.189 2.634 196 HB3 CYS 22 3HB CYS 22 -3.842 -4.093 2.321 197 H ASP 23 H ASP 23 -3.903 -4.653 -0.567 198 HA ASP 23 HA ASP 23 -6.678 -5.327 -1.029 199 HB2 ASP 23 2HB ASP 23 -6.484 -3.697 -2.823 200 HB3 ASP 23 3HB ASP 23 -4.921 -4.326 -3.314 201 H GLU 24 H GLU 24 -6.953 -7.420 -1.710 202 HA GLU 24 HA GLU 24 -4.734 -9.040 -2.692 203 HB2 GLU 24 2HB GLU 24 -5.293 -10.927 -1.112 204 HB3 GLU 24 3HB GLU 24 -4.575 -9.535 -0.322 205 HG2 GLU 24 2HG GLU 24 -7.583 -9.924 -0.351 206 HG3 GLU 24 3HG GLU 24 -6.562 -10.721 0.843 207 H SER 25 H SER 25 -7.548 -7.844 -3.405 208 HA SER 25 HA SER 25 -9.024 -10.210 -4.217 209 HB2 SER 25 2HB SER 25 -10.168 -8.056 -3.528 210 HB3 SER 25 3HB SER 25 -9.536 -7.309 -4.991 211 HG SER 25 HG SER 25 -11.401 -9.421 -4.748 212 H ASN 26 H ASN 26 -7.251 -7.551 -5.833 213 HA ASN 26 HA ASN 26 -6.744 -9.339 -8.151 214 HB2 ASN 26 2HB ASN 26 -6.263 -7.372 -9.483 215 HB3 ASN 26 3HB ASN 26 -7.802 -7.108 -8.678 216 HD21 ASN 26 1HD2 ASN 26 -7.893 -5.554 -6.971 217 HD22 ASN 26 2HD2 ASN 26 -6.683 -4.332 -6.806 218 H HIS 27 H HIS 27 -5.418 -8.378 -5.289 219 HA HIS 27 HA HIS 27 -3.451 -8.472 -4.251 220 HB2 HIS 27 2HB HIS 27 -2.608 -10.116 -6.670 221 HB3 HIS 27 3HB HIS 27 -1.546 -9.833 -5.293 222 HD1 HIS 27 HD1 HIS 27 -1.728 -11.485 -3.443 223 HD2 HIS 27 HD2 HIS 27 -5.106 -11.498 -5.858 224 HE1 HIS 27 HE1 HIS 27 -3.148 -13.371 -2.604 225 HE2 HIS 27 HE2 HIS 27 -5.109 -13.462 -4.182 226 H CYS 28 H CYS 28 -3.436 -6.191 -4.453 227 HA CYS 28 HA CYS 28 -0.924 -5.218 -5.494 228 HB2 CYS 28 2HB CYS 28 -2.513 -5.017 -7.451 229 HB3 CYS 28 3HB CYS 28 -3.468 -3.884 -6.493 230 H VAL 29 H VAL 29 -0.730 -2.785 -4.988 231 HA VAL 29 HA VAL 29 -2.276 -1.902 -2.630 232 HB VAL 29 HB VAL 29 0.761 -1.607 -2.976 233 HG11 VAL 29 1HG1 VAL 29 -0.223 0.328 -1.811 234 HG12 VAL 29 2HG1 VAL 29 0.755 -0.628 -0.700 235 HG13 VAL 29 3HG1 VAL 29 -1.006 -0.745 -0.648 236 HG21 VAL 29 1HG2 VAL 29 -0.739 -3.356 -0.978 237 HG22 VAL 29 2HG2 VAL 29 1.009 -3.106 -1.021 238 HG23 VAL 29 3HG2 VAL 29 0.204 -3.928 -2.356 239 H GLU 30 H GLU 30 -3.366 -0.130 -3.443 240 HA GLU 30 HA GLU 30 -2.023 1.670 -5.359 241 HB2 GLU 30 2HB GLU 30 -4.375 1.200 -5.874 242 HB3 GLU 30 3HB GLU 30 -4.878 1.713 -4.262 243 HG2 GLU 30 2HG GLU 30 -4.051 4.025 -4.784 244 HG3 GLU 30 3HG GLU 30 -3.648 3.479 -6.406 245 H VAL 31 H VAL 31 -0.651 3.105 -4.385 246 HA VAL 31 HA VAL 31 -1.456 4.301 -1.802 247 HB VAL 31 HB VAL 31 1.203 4.632 -3.258 248 HG11 VAL 31 1HG1 VAL 31 2.046 5.314 -1.027 249 HG12 VAL 31 2HG1 VAL 31 0.413 5.181 -0.369 250 HG13 VAL 31 3HG1 VAL 31 0.771 6.382 -1.612 251 HG21 VAL 31 1HG2 VAL 31 0.559 2.595 -1.081 252 HG22 VAL 31 2HG2 VAL 31 2.157 2.920 -1.757 253 HG23 VAL 31 3HG2 VAL 31 0.895 2.235 -2.778 254 H ARG 32 H ARG 32 -2.851 5.847 -2.256 255 HA ARG 32 HA ARG 32 -2.539 7.805 -4.398 256 HB2 ARG 32 2HB ARG 32 -4.762 6.760 -3.910 257 HB3 ARG 32 3HB ARG 32 -4.725 7.426 -2.288 258 HG2 ARG 32 2HG ARG 32 -4.772 9.718 -3.241 259 HG3 ARG 32 3HG ARG 32 -4.841 9.030 -4.853 260 HD2 ARG 32 2HD ARG 32 -6.934 8.782 -2.674 261 HD3 ARG 32 3HD ARG 32 -7.086 9.677 -4.190 262 HE ARG 32 HE ARG 32 -6.790 6.721 -4.112 263 HH11 ARG 32 1HH1 ARG 32 -8.550 9.535 -5.289 264 HH12 ARG 32 2HH1 ARG 32 -9.586 8.593 -6.318 265 HH21 ARG 32 1HH2 ARG 32 -8.124 5.529 -5.473 266 HH22 ARG 32 2HH2 ARG 32 -9.345 6.334 -6.423 267 H CYS 33 H CYS 33 -0.628 8.860 -3.581 268 HA CYS 33 HA CYS 33 -0.387 9.584 -0.858 269 HB2 CYS 33 2HB CYS 33 1.555 9.171 -2.447 270 HB3 CYS 33 3HB CYS 33 1.283 10.796 -3.065 271 H SER 34 H SER 34 -0.855 11.657 -3.715 272 HA SER 34 HA SER 34 -2.955 13.162 -2.612 273 HB2 SER 34 2HB SER 34 -1.144 14.218 -1.217 274 HB3 SER 34 3HB SER 34 -0.308 14.700 -2.693 275 HG SER 34 HG SER 34 -2.548 15.777 -1.474 276 H ASP 35 H ASP 35 -0.150 13.295 -4.755 277 HA ASP 35 HA ASP 35 -1.826 14.296 -6.994 278 HB2 ASP 35 2HB ASP 35 1.158 14.704 -6.489 279 HB3 ASP 35 3HB ASP 35 0.310 15.233 -7.937 280 H THR 36 H THR 36 0.744 12.067 -6.021 281 HA THR 36 HA THR 36 1.516 11.287 -8.655 282 HB THR 36 HB THR 36 2.845 9.474 -7.434 283 HG1 THR 36 HG1 THR 36 2.889 9.879 -5.060 284 HG21 THR 36 1HG2 THR 36 3.203 12.316 -6.402 285 HG22 THR 36 2HG2 THR 36 3.862 11.679 -7.912 286 HG23 THR 36 3HG2 THR 36 4.420 11.039 -6.366 287 H LYS 37 H LYS 37 -0.040 9.370 -6.072 288 HA LYS 37 HA LYS 37 -1.106 7.398 -6.010 289 HB2 LYS 37 2HB LYS 37 -2.912 8.747 -7.068 290 HB3 LYS 37 3HB LYS 37 -2.342 8.246 -8.655 291 HG2 LYS 37 2HG LYS 37 -2.836 5.869 -8.055 292 HG3 LYS 37 3HG LYS 37 -3.471 6.413 -6.501 293 HD2 LYS 37 2HD LYS 37 -4.580 7.134 -9.239 294 HD3 LYS 37 3HD LYS 37 -5.276 5.961 -8.122 295 HE2 LYS 37 2HE LYS 37 -5.680 7.783 -6.484 296 HE3 LYS 37 3HE LYS 37 -5.003 8.946 -7.627 297 HZ1 LYS 37 1HZ LYS 37 -7.404 7.275 -8.108 298 HZ2 LYS 37 2HZ LYS 37 -6.769 8.437 -9.158 299 HZ3 LYS 37 3HZ LYS 37 -7.416 8.910 -7.675 300 H TYR 38 H TYR 38 0.758 6.206 -6.142 301 HA TYR 38 HA TYR 38 1.422 4.884 -8.709 302 HB2 TYR 38 2HB TYR 38 3.621 4.308 -7.523 303 HB3 TYR 38 3HB TYR 38 3.380 6.006 -7.905 304 HD1 TYR 38 HD1 TYR 38 3.708 3.569 -5.194 305 HD2 TYR 38 HD2 TYR 38 2.947 7.659 -6.112 306 HE1 TYR 38 HE1 TYR 38 4.092 4.138 -2.854 307 HE2 TYR 38 HE2 TYR 38 3.347 8.266 -3.778 308 HH TYR 38 HH TYR 38 4.745 6.148 -1.556 309 H THR 39 H THR 39 1.418 2.639 -8.771 310 HA THR 39 HA THR 39 -0.117 1.362 -6.583 311 HB THR 39 HB THR 39 -0.506 0.936 -9.587 312 HG1 THR 39 HG1 THR 39 -1.820 2.670 -7.744 313 HG21 THR 39 1HG2 THR 39 -2.699 -0.008 -8.867 314 HG22 THR 39 2HG2 THR 39 -2.203 0.175 -7.182 315 HG23 THR 39 3HG2 THR 39 -1.331 -0.929 -8.247 316 H LEU 40 H LEU 40 1.279 0.022 -5.651 317 HA LEU 40 HA LEU 40 3.322 -1.494 -7.064 318 HB2 LEU 40 2HB LEU 40 2.648 -1.098 -4.123 319 HB3 LEU 40 3HB LEU 40 3.793 -2.325 -4.639 320 HG LEU 40 HG LEU 40 5.065 -0.340 -5.763 321 HD11 LEU 40 1HD1 LEU 40 3.303 1.342 -5.530 322 HD12 LEU 40 2HD1 LEU 40 4.765 1.832 -4.679 323 HD13 LEU 40 3HD1 LEU 40 3.387 1.207 -3.772 324 HD21 LEU 40 1HD2 LEU 40 6.309 0.091 -3.693 325 HD22 LEU 40 2HD2 LEU 40 5.916 -1.620 -3.843 326 HD23 LEU 40 3HD2 LEU 40 4.994 -0.599 -2.736 327 H CYS 41 H CYS 41 2.272 -3.093 -8.226 328 HA CYS 41 HA CYS 41 0.324 -4.859 -6.890 329 HB2 CYS 41 2HB CYS 41 1.031 -4.545 -9.826 330 HB3 CYS 41 3HB CYS 41 -0.193 -5.645 -9.193 Start of MODEL 19 1 H1 SER 1 1H SER 1 -3.731 -15.945 1.593 2 H2 SER 1 2H SER 1 -4.109 -14.301 1.609 3 H3 SER 1 3H SER 1 -3.149 -14.953 2.835 4 HA SER 1 HA SER 1 -1.409 -15.432 1.289 5 HB2 SER 1 2HB SER 1 -3.257 -14.142 -0.767 6 HB3 SER 1 3HB SER 1 -1.583 -14.643 -1.065 7 HG SER 1 HG SER 1 -2.182 -16.739 -0.898 8 H GLN 2 H GLN 2 -0.238 -14.101 2.541 9 HA GLN 2 HA GLN 2 -0.782 -11.239 2.749 10 HB2 GLN 2 2HB GLN 2 -0.273 -12.738 4.744 11 HB3 GLN 2 3HB GLN 2 1.365 -12.917 4.129 12 HG2 GLN 2 2HG GLN 2 1.648 -10.427 4.340 13 HG3 GLN 2 3HG GLN 2 0.062 -10.347 5.103 14 HE21 GLN 2 1HE2 GLN 2 2.753 -9.679 6.133 15 HE22 GLN 2 2HE2 GLN 2 2.944 -10.619 7.567 16 H GLU 3 H GLU 3 0.108 -12.277 0.215 17 HA GLU 3 HA GLU 3 2.795 -11.726 -0.424 18 HB2 GLU 3 2HB GLU 3 1.351 -13.052 -1.885 19 HB3 GLU 3 3HB GLU 3 0.210 -11.725 -2.057 20 HG2 GLU 3 2HG GLU 3 1.949 -10.452 -3.312 21 HG3 GLU 3 3HG GLU 3 3.020 -11.850 -3.196 22 H THR 4 H THR 4 -0.038 -9.833 -1.412 23 HA THR 4 HA THR 4 1.400 -7.343 -1.576 24 HB THR 4 HB THR 4 -0.341 -7.925 -3.231 25 HG1 THR 4 HG1 THR 4 -0.197 -5.792 -3.214 26 HG21 THR 4 1HG2 THR 4 -1.906 -9.143 -1.763 27 HG22 THR 4 2HG2 THR 4 -2.730 -7.860 -2.650 28 HG23 THR 4 3HG2 THR 4 -2.328 -7.634 -0.946 29 H ARG 5 H ARG 5 -0.451 -8.980 0.860 30 HA ARG 5 HA ARG 5 -1.464 -6.675 2.256 31 HB2 ARG 5 2HB ARG 5 -1.087 -9.429 3.484 32 HB3 ARG 5 3HB ARG 5 -2.219 -8.168 3.961 33 HG2 ARG 5 2HG ARG 5 -3.370 -8.491 1.738 34 HG3 ARG 5 3HG ARG 5 -2.330 -9.900 1.487 35 HD2 ARG 5 2HD ARG 5 -4.377 -10.714 2.368 36 HD3 ARG 5 3HD ARG 5 -3.225 -10.805 3.694 37 HE ARG 5 HE ARG 5 -4.316 -8.409 4.144 38 HH11 ARG 5 1HH1 ARG 5 -5.912 -11.493 3.492 39 HH12 ARG 5 2HH1 ARG 5 -7.326 -11.075 4.407 40 HH21 ARG 5 1HH2 ARG 5 -6.174 -7.884 5.307 41 HH22 ARG 5 2HH2 ARG 5 -7.474 -9.032 5.433 42 H LYS 6 H LYS 6 1.434 -8.718 2.605 43 HA LYS 6 HA LYS 6 2.465 -7.421 4.929 44 HB2 LYS 6 2HB LYS 6 4.439 -8.639 4.628 45 HB3 LYS 6 3HB LYS 6 3.310 -9.628 3.724 46 HG2 LYS 6 2HG LYS 6 5.041 -9.601 2.214 47 HG3 LYS 6 3HG LYS 6 4.202 -8.148 1.673 48 HD2 LYS 6 2HD LYS 6 5.810 -6.909 3.371 49 HD3 LYS 6 3HD LYS 6 6.767 -8.389 3.278 50 HE2 LYS 6 2HE LYS 6 6.008 -6.600 0.943 51 HE3 LYS 6 3HE LYS 6 7.589 -6.680 1.718 52 HZ1 LYS 6 1HZ LYS 6 7.582 -7.966 -0.291 53 HZ2 LYS 6 2HZ LYS 6 6.255 -8.871 0.228 54 HZ3 LYS 6 3HZ LYS 6 7.735 -9.010 1.027 55 H LYS 7 H LYS 7 2.569 -6.713 1.493 56 HA LYS 7 HA LYS 7 4.405 -4.550 1.503 57 HB2 LYS 7 2HB LYS 7 3.892 -5.801 -0.534 58 HB3 LYS 7 3HB LYS 7 2.209 -5.291 -0.471 59 HG2 LYS 7 2HG LYS 7 2.885 -2.956 -0.879 60 HG3 LYS 7 3HG LYS 7 4.584 -3.438 -0.899 61 HD2 LYS 7 2HD LYS 7 2.442 -4.335 -2.865 62 HD3 LYS 7 3HD LYS 7 3.705 -3.147 -3.179 63 HE2 LYS 7 2HE LYS 7 4.106 -6.102 -2.628 64 HE3 LYS 7 3HE LYS 7 4.320 -5.277 -4.172 65 HZ1 LYS 7 1HZ LYS 7 6.161 -4.066 -3.291 66 HZ2 LYS 7 2HZ LYS 7 6.421 -5.705 -2.968 67 HZ3 LYS 7 3HZ LYS 7 5.907 -4.669 -1.734 68 H CYS 8 H CYS 8 0.952 -4.786 2.123 69 HA CYS 8 HA CYS 8 0.139 -2.130 2.080 70 HB2 CYS 8 2HB CYS 8 -1.336 -4.107 2.583 71 HB3 CYS 8 3HB CYS 8 -0.631 -4.192 4.188 72 H THR 9 H THR 9 1.626 -3.961 4.755 73 HA THR 9 HA THR 9 1.816 -1.809 6.608 74 HB THR 9 HB THR 9 3.545 -4.332 6.645 75 HG1 THR 9 HG1 THR 9 0.769 -4.026 7.049 76 HG21 THR 9 1HG2 THR 9 3.996 -2.640 8.421 77 HG22 THR 9 2HG2 THR 9 3.318 -4.123 9.094 78 HG23 THR 9 3HG2 THR 9 2.299 -2.695 8.900 79 H GLU 10 H GLU 10 4.016 -3.253 4.272 80 HA GLU 10 HA GLU 10 6.445 -1.986 4.807 81 HB2 GLU 10 2HB GLU 10 6.269 -3.890 3.314 82 HB3 GLU 10 3HB GLU 10 5.202 -3.016 2.227 83 HG2 GLU 10 2HG GLU 10 7.072 -1.540 1.598 84 HG3 GLU 10 3HG GLU 10 8.134 -2.426 2.687 85 H MET 11 H MET 11 3.702 -0.945 2.829 86 HA MET 11 HA MET 11 4.913 1.551 2.006 87 HB2 MET 11 2HB MET 11 2.051 0.562 1.704 88 HB3 MET 11 3HB MET 11 2.699 2.017 0.967 89 HG2 MET 11 2HG MET 11 3.654 -0.787 0.353 90 HG3 MET 11 3HG MET 11 2.467 0.097 -0.593 91 HE1 MET 11 1HE MET 11 6.064 -0.935 -0.413 92 HE2 MET 11 2HE MET 11 6.259 0.391 0.734 93 HE3 MET 11 3HE MET 11 7.011 0.485 -0.856 94 H LYS 12 H LYS 12 2.842 0.479 4.672 95 HA LYS 12 HA LYS 12 1.893 3.047 5.503 96 HB2 LYS 12 2HB LYS 12 2.289 0.450 7.045 97 HB3 LYS 12 3HB LYS 12 1.571 1.876 7.774 98 HG2 LYS 12 2HG LYS 12 0.312 0.859 5.251 99 HG3 LYS 12 3HG LYS 12 0.120 -0.121 6.701 100 HD2 LYS 12 2HD LYS 12 -1.800 1.302 6.534 101 HD3 LYS 12 3HD LYS 12 -0.826 1.893 7.875 102 HE2 LYS 12 2HE LYS 12 0.050 3.696 6.423 103 HE3 LYS 12 3HE LYS 12 -0.942 3.097 5.091 104 HZ1 LYS 12 1HZ LYS 12 -1.952 4.148 7.682 105 HZ2 LYS 12 2HZ LYS 12 -2.915 3.530 6.441 106 HZ3 LYS 12 3HZ LYS 12 -2.023 4.938 6.187 107 H LYS 13 H LYS 13 4.796 1.186 6.264 108 HA LYS 13 HA LYS 13 5.787 2.819 8.383 109 HB2 LYS 13 2HB LYS 13 7.251 0.850 6.567 110 HB3 LYS 13 3HB LYS 13 7.925 1.541 8.041 111 HG2 LYS 13 2HG LYS 13 6.235 0.416 9.394 112 HG3 LYS 13 3HG LYS 13 5.442 -0.203 7.943 113 HD2 LYS 13 2HD LYS 13 7.529 -1.491 7.404 114 HD3 LYS 13 3HD LYS 13 8.235 -0.927 8.924 115 HE2 LYS 13 2HE LYS 13 6.453 -2.074 10.183 116 HE3 LYS 13 3HE LYS 13 5.714 -2.603 8.670 117 HZ1 LYS 13 1HZ LYS 13 8.380 -3.402 9.709 118 HZ2 LYS 13 2HZ LYS 13 7.783 -3.830 8.190 119 HZ3 LYS 13 3HZ LYS 13 7.004 -4.376 9.583 120 H LYS 14 H LYS 14 6.073 2.998 4.909 121 HA LYS 14 HA LYS 14 8.156 5.080 4.988 122 HB2 LYS 14 2HB LYS 14 6.743 3.778 2.607 123 HB3 LYS 14 3HB LYS 14 8.133 4.858 2.518 124 HG2 LYS 14 2HG LYS 14 9.554 3.209 3.609 125 HG3 LYS 14 3HG LYS 14 8.164 2.156 3.898 126 HD2 LYS 14 2HD LYS 14 7.877 1.884 1.438 127 HD3 LYS 14 3HD LYS 14 9.294 2.906 1.169 128 HE2 LYS 14 2HE LYS 14 9.821 0.488 0.991 129 HE3 LYS 14 3HE LYS 14 10.727 1.265 2.291 130 HZ1 LYS 14 1HZ LYS 14 9.195 0.365 3.886 131 HZ2 LYS 14 2HZ LYS 14 9.784 -0.895 2.932 132 HZ3 LYS 14 3HZ LYS 14 8.228 -0.291 2.673 133 H PHE 15 H PHE 15 4.968 4.586 3.526 134 HA PHE 15 HA PHE 15 4.632 7.459 3.007 135 HB2 PHE 15 2HB PHE 15 2.981 5.104 1.982 136 HB3 PHE 15 3HB PHE 15 3.002 6.743 1.342 137 HD1 PHE 15 HD1 PHE 15 3.978 3.622 0.443 138 HD2 PHE 15 HD2 PHE 15 5.753 7.479 0.998 139 HE1 PHE 15 HE1 PHE 15 5.817 3.004 -1.064 140 HE2 PHE 15 HE2 PHE 15 7.585 6.843 -0.522 141 HZ PHE 15 HZ PHE 15 7.609 4.605 -1.555 142 H LYS 16 H LYS 16 4.379 7.543 5.405 143 HA LYS 16 HA LYS 16 1.960 6.604 6.648 144 HB2 LYS 16 2HB LYS 16 2.784 7.868 8.622 145 HB3 LYS 16 3HB LYS 16 3.990 6.775 7.958 146 HG2 LYS 16 2HG LYS 16 5.169 8.644 6.903 147 HG3 LYS 16 3HG LYS 16 3.928 9.776 7.459 148 HD2 LYS 16 2HD LYS 16 4.521 9.277 9.810 149 HD3 LYS 16 3HD LYS 16 5.738 8.119 9.268 150 HE2 LYS 16 2HE LYS 16 6.999 9.957 8.197 151 HE3 LYS 16 3HE LYS 16 5.779 11.114 8.744 152 HZ1 LYS 16 1HZ LYS 16 6.330 10.604 11.019 153 HZ2 LYS 16 2HZ LYS 16 7.746 11.020 10.195 154 HZ3 LYS 16 3HZ LYS 16 7.411 9.401 10.540 155 H ASN 17 H ASN 17 2.761 9.362 4.794 156 HA ASN 17 HA ASN 17 0.448 10.949 5.756 157 HB2 ASN 17 2HB ASN 17 2.782 11.772 3.962 158 HB3 ASN 17 3HB ASN 17 1.478 12.835 4.488 159 HD21 ASN 17 1HD2 ASN 17 4.386 13.015 4.937 160 HD22 ASN 17 2HD2 ASN 17 4.578 13.116 6.652 161 H CYS 18 H CYS 18 1.305 8.777 3.326 162 HA CYS 18 HA CYS 18 -0.448 9.898 1.245 163 HB2 CYS 18 2HB CYS 18 1.439 7.521 1.249 164 HB3 CYS 18 3HB CYS 18 0.465 8.018 -0.134 165 H GLU 19 H GLU 19 -2.129 8.598 0.291 166 HA GLU 19 HA GLU 19 -3.603 6.944 2.166 167 HB2 GLU 19 2HB GLU 19 -4.690 8.661 0.616 168 HB3 GLU 19 3HB GLU 19 -4.305 7.600 -0.731 169 HG2 GLU 19 2HG GLU 19 -5.674 5.799 0.354 170 HG3 GLU 19 3HG GLU 19 -6.150 6.954 1.597 171 H VAL 20 H VAL 20 -2.301 5.108 2.362 172 HA VAL 20 HA VAL 20 -1.488 3.479 0.088 173 HB VAL 20 HB VAL 20 -1.346 3.024 3.121 174 HG11 VAL 20 1HG1 VAL 20 0.198 1.163 2.657 175 HG12 VAL 20 2HG1 VAL 20 -0.056 1.375 0.923 176 HG13 VAL 20 3HG1 VAL 20 -1.393 0.860 1.953 177 HG21 VAL 20 1HG2 VAL 20 1.055 3.543 2.891 178 HG22 VAL 20 2HG2 VAL 20 0.053 4.896 2.359 179 HG23 VAL 20 3HG2 VAL 20 0.830 3.853 1.166 180 H ARG 21 H ARG 21 -3.111 2.385 -0.924 181 HA ARG 21 HA ARG 21 -5.405 1.227 0.568 182 HB2 ARG 21 2HB ARG 21 -5.150 1.595 -2.455 183 HB3 ARG 21 3HB ARG 21 -6.612 1.251 -1.536 184 HG2 ARG 21 2HG ARG 21 -6.579 3.515 -0.593 185 HG3 ARG 21 3HG ARG 21 -5.051 3.851 -1.416 186 HD2 ARG 21 2HD ARG 21 -6.911 4.837 -2.660 187 HD3 ARG 21 3HD ARG 21 -6.166 3.546 -3.607 188 HE ARG 21 HE ARG 21 -8.555 2.927 -2.001 189 HH11 ARG 21 1HH1 ARG 21 -7.172 3.392 -5.225 190 HH12 ARG 21 2HH1 ARG 21 -8.535 2.672 -6.029 191 HH21 ARG 21 1HH2 ARG 21 -10.333 2.028 -3.080 192 HH22 ARG 21 2HH2 ARG 21 -10.325 1.901 -4.811 193 H CYS 22 H CYS 22 -4.755 -0.849 1.152 194 HA CYS 22 HA CYS 22 -3.407 -2.546 -0.881 195 HB2 CYS 22 2HB CYS 22 -2.841 -4.014 1.078 196 HB3 CYS 22 3HB CYS 22 -2.152 -2.398 1.166 197 H ASP 23 H ASP 23 -4.151 -4.749 -1.169 198 HA ASP 23 HA ASP 23 -6.751 -5.572 -0.320 199 HB2 ASP 23 2HB ASP 23 -7.210 -3.601 -1.956 200 HB3 ASP 23 3HB ASP 23 -6.635 -4.660 -3.237 201 H GLU 24 H GLU 24 -6.583 -7.735 -0.373 202 HA GLU 24 HA GLU 24 -4.421 -9.022 -1.778 203 HB2 GLU 24 2HB GLU 24 -5.317 -11.133 -0.613 204 HB3 GLU 24 3HB GLU 24 -4.708 -9.838 0.399 205 HG2 GLU 24 2HG GLU 24 -6.634 -10.642 1.492 206 HG3 GLU 24 3HG GLU 24 -7.100 -9.110 0.765 207 H SER 25 H SER 25 -7.779 -8.573 -2.407 208 HA SER 25 HA SER 25 -8.061 -10.724 -4.321 209 HB2 SER 25 2HB SER 25 -10.007 -9.879 -3.020 210 HB3 SER 25 3HB SER 25 -9.860 -8.304 -3.805 211 HG SER 25 HG SER 25 -10.090 -9.643 -5.837 212 H ASN 26 H ASN 26 -7.298 -7.270 -4.381 213 HA ASN 26 HA ASN 26 -7.155 -7.063 -7.270 214 HB2 ASN 26 2HB ASN 26 -6.265 -5.145 -5.061 215 HB3 ASN 26 3HB ASN 26 -6.080 -4.791 -6.778 216 HD21 ASN 26 1HD2 ASN 26 -7.604 -3.276 -4.858 217 HD22 ASN 26 2HD2 ASN 26 -9.244 -3.290 -5.397 218 H HIS 27 H HIS 27 -5.014 -7.940 -4.669 219 HA HIS 27 HA HIS 27 -2.853 -8.600 -4.495 220 HB2 HIS 27 2HB HIS 27 -3.060 -8.997 -7.512 221 HB3 HIS 27 3HB HIS 27 -1.693 -9.531 -6.540 222 HD1 HIS 27 HD1 HIS 27 -1.948 -11.678 -5.212 223 HD2 HIS 27 HD2 HIS 27 -5.448 -10.504 -7.132 224 HE1 HIS 27 HE1 HIS 27 -3.525 -13.624 -5.014 225 HE2 HIS 27 HE2 HIS 27 -5.673 -12.815 -6.021 226 H CYS 28 H CYS 28 -3.464 -5.807 -4.784 227 HA CYS 28 HA CYS 28 -0.931 -4.686 -5.703 228 HB2 CYS 28 2HB CYS 28 -3.612 -4.013 -6.976 229 HB3 CYS 28 3HB CYS 28 -2.186 -2.992 -7.136 230 H VAL 29 H VAL 29 -0.365 -3.006 -4.482 231 HA VAL 29 HA VAL 29 -2.323 -1.713 -2.688 232 HB VAL 29 HB VAL 29 0.742 -1.620 -2.587 233 HG11 VAL 29 1HG1 VAL 29 -1.301 -0.615 -0.564 234 HG12 VAL 29 2HG1 VAL 29 -0.266 0.382 -1.588 235 HG13 VAL 29 3HG1 VAL 29 0.451 -0.632 -0.336 236 HG21 VAL 29 1HG2 VAL 29 -0.050 -3.887 -2.085 237 HG22 VAL 29 2HG2 VAL 29 -1.160 -3.259 -0.866 238 HG23 VAL 29 3HG2 VAL 29 0.585 -3.122 -0.627 239 H GLU 30 H GLU 30 -3.195 0.038 -3.723 240 HA GLU 30 HA GLU 30 -1.553 1.773 -5.434 241 HB2 GLU 30 2HB GLU 30 -3.858 1.324 -6.218 242 HB3 GLU 30 3HB GLU 30 -4.516 1.961 -4.709 243 HG2 GLU 30 2HG GLU 30 -3.395 4.175 -5.268 244 HG3 GLU 30 3HG GLU 30 -3.016 3.512 -6.847 245 H VAL 31 H VAL 31 -0.331 3.180 -4.326 246 HA VAL 31 HA VAL 31 -1.306 4.442 -1.868 247 HB VAL 31 HB VAL 31 1.424 4.654 -3.199 248 HG11 VAL 31 1HG1 VAL 31 2.199 5.396 -0.989 249 HG12 VAL 31 2HG1 VAL 31 0.538 5.330 -0.386 250 HG13 VAL 31 3HG1 VAL 31 0.972 6.470 -1.667 251 HG21 VAL 31 1HG2 VAL 31 2.240 2.975 -1.583 252 HG22 VAL 31 2HG2 VAL 31 1.027 2.309 -2.679 253 HG23 VAL 31 3HG2 VAL 31 0.584 2.717 -1.017 254 H ARG 32 H ARG 32 -2.640 6.045 -2.446 255 HA ARG 32 HA ARG 32 -2.038 7.950 -4.581 256 HB2 ARG 32 2HB ARG 32 -4.366 7.045 -4.247 257 HB3 ARG 32 3HB ARG 32 -4.412 7.802 -2.659 258 HG2 ARG 32 2HG ARG 32 -4.030 10.032 -3.890 259 HG3 ARG 32 3HG ARG 32 -4.375 9.140 -5.368 260 HD2 ARG 32 2HD ARG 32 -6.222 9.945 -3.151 261 HD3 ARG 32 3HD ARG 32 -6.490 9.967 -4.893 262 HE ARG 32 HE ARG 32 -6.513 7.487 -3.263 263 HH11 ARG 32 1HH1 ARG 32 -8.019 9.462 -5.769 264 HH12 ARG 32 2HH1 ARG 32 -9.248 8.286 -6.104 265 HH21 ARG 32 1HH2 ARG 32 -8.116 6.001 -3.675 266 HH22 ARG 32 2HH2 ARG 32 -9.305 6.305 -4.903 267 H CYS 33 H CYS 33 -0.150 8.916 -3.597 268 HA CYS 33 HA CYS 33 -0.215 10.247 -1.086 269 HB2 CYS 33 2HB CYS 33 1.554 10.566 -3.522 270 HB3 CYS 33 3HB CYS 33 1.806 11.483 -2.043 271 H SER 34 H SER 34 -0.076 11.852 -4.324 272 HA SER 34 HA SER 34 -2.590 13.132 -4.133 273 HB2 SER 34 2HB SER 34 -1.808 15.528 -3.885 274 HB3 SER 34 3HB SER 34 -1.588 14.565 -2.427 275 HG SER 34 HG SER 34 0.237 15.942 -3.723 276 H ASP 35 H ASP 35 0.620 14.156 -5.371 277 HA ASP 35 HA ASP 35 -0.535 15.025 -7.895 278 HB2 ASP 35 2HB ASP 35 2.333 15.124 -6.857 279 HB3 ASP 35 3HB ASP 35 1.789 15.856 -8.363 280 H THR 36 H THR 36 1.180 12.270 -6.722 281 HA THR 36 HA THR 36 2.100 11.427 -9.392 282 HB THR 36 HB THR 36 2.856 10.351 -6.628 283 HG1 THR 36 HG1 THR 36 3.867 12.381 -8.244 284 HG21 THR 36 1HG2 THR 36 4.052 9.729 -9.359 285 HG22 THR 36 2HG2 THR 36 3.125 8.611 -8.353 286 HG23 THR 36 3HG2 THR 36 4.697 9.191 -7.804 287 H LYS 37 H LYS 37 0.909 9.671 -6.469 288 HA LYS 37 HA LYS 37 -0.360 7.849 -6.137 289 HB2 LYS 37 2HB LYS 37 -2.201 9.163 -7.120 290 HB3 LYS 37 3HB LYS 37 -1.742 8.627 -8.732 291 HG2 LYS 37 2HG LYS 37 -2.196 6.223 -7.847 292 HG3 LYS 37 3HG LYS 37 -3.016 7.019 -6.500 293 HD2 LYS 37 2HD LYS 37 -3.705 7.292 -9.451 294 HD3 LYS 37 3HD LYS 37 -4.632 6.394 -8.246 295 HE2 LYS 37 2HE LYS 37 -5.212 8.454 -7.089 296 HE3 LYS 37 3HE LYS 37 -4.148 9.398 -8.134 297 HZ1 LYS 37 1HZ LYS 37 -6.606 7.955 -8.964 298 HZ2 LYS 37 2HZ LYS 37 -5.561 8.750 -10.023 299 HZ3 LYS 37 3HZ LYS 37 -6.409 9.631 -8.854 300 H TYR 38 H TYR 38 0.481 5.877 -6.270 301 HA TYR 38 HA TYR 38 1.355 4.726 -8.828 302 HB2 TYR 38 2HB TYR 38 3.474 3.926 -7.556 303 HB3 TYR 38 3HB TYR 38 3.422 5.598 -8.068 304 HD1 TYR 38 HD1 TYR 38 3.645 3.381 -5.193 305 HD2 TYR 38 HD2 TYR 38 2.989 7.422 -6.403 306 HE1 TYR 38 HE1 TYR 38 4.150 4.147 -2.914 307 HE2 TYR 38 HE2 TYR 38 3.508 8.181 -4.131 308 HH TYR 38 HH TYR 38 3.515 7.291 -1.858 309 H THR 39 H THR 39 1.527 2.421 -8.785 310 HA THR 39 HA THR 39 0.041 1.114 -6.580 311 HB THR 39 HB THR 39 -0.375 0.551 -9.562 312 HG1 THR 39 HG1 THR 39 -1.423 2.471 -8.006 313 HG21 THR 39 1HG2 THR 39 -1.847 -0.506 -7.110 314 HG22 THR 39 2HG2 THR 39 -0.759 -1.443 -8.136 315 HG23 THR 39 3HG2 THR 39 -2.279 -0.840 -8.794 316 H LEU 40 H LEU 40 1.563 -0.106 -5.654 317 HA LEU 40 HA LEU 40 3.565 -1.591 -7.202 318 HB2 LEU 40 2HB LEU 40 3.300 -0.807 -4.283 319 HB3 LEU 40 3HB LEU 40 4.294 -2.189 -4.716 320 HG LEU 40 HG LEU 40 5.678 -0.694 -6.186 321 HD11 LEU 40 1HD1 LEU 40 4.065 1.561 -4.979 322 HD12 LEU 40 2HD1 LEU 40 4.105 1.075 -6.675 323 HD13 LEU 40 3HD1 LEU 40 5.548 1.745 -5.920 324 HD21 LEU 40 1HD2 LEU 40 6.425 -1.268 -3.927 325 HD22 LEU 40 2HD2 LEU 40 5.544 0.110 -3.261 326 HD23 LEU 40 3HD2 LEU 40 6.912 0.376 -4.344 327 H CYS 41 H CYS 41 2.811 -3.456 -7.927 328 HA CYS 41 HA CYS 41 1.009 -5.140 -6.311 329 HB2 CYS 41 2HB CYS 41 1.761 -5.390 -9.262 330 HB3 CYS 41 3HB CYS 41 0.537 -6.324 -8.409 Start of MODEL 20 1 H1 SER 1 1H SER 1 -1.220 -17.589 1.493 2 H2 SER 1 2H SER 1 -1.948 -16.095 1.211 3 H3 SER 1 3H SER 1 -1.416 -16.496 2.761 4 HA SER 1 HA SER 1 0.849 -16.513 2.056 5 HB2 SER 1 2HB SER 1 0.495 -17.257 -0.275 6 HB3 SER 1 3HB SER 1 -0.309 -15.740 -0.663 7 HG SER 1 HG SER 1 1.850 -15.711 -1.346 8 H GLN 2 H GLN 2 1.580 -14.753 3.140 9 HA GLN 2 HA GLN 2 0.238 -12.185 3.089 10 HB2 GLN 2 2HB GLN 2 1.364 -13.146 5.129 11 HB3 GLN 2 3HB GLN 2 2.919 -12.949 4.333 12 HG2 GLN 2 2HG GLN 2 2.428 -10.451 4.232 13 HG3 GLN 2 3HG GLN 2 1.022 -10.759 5.250 14 HE21 GLN 2 1HE2 GLN 2 1.859 -9.485 6.943 15 HE22 GLN 2 2HE2 GLN 2 3.171 -10.021 7.925 16 H GLU 3 H GLU 3 0.434 -11.923 0.781 17 HA GLU 3 HA GLU 3 3.060 -11.368 -0.423 18 HB2 GLU 3 2HB GLU 3 1.613 -12.917 -1.642 19 HB3 GLU 3 3HB GLU 3 0.268 -11.783 -1.568 20 HG2 GLU 3 2HG GLU 3 1.606 -10.217 -3.031 21 HG3 GLU 3 3HG GLU 3 2.807 -11.502 -3.210 22 H THR 4 H THR 4 -0.133 -9.881 -1.034 23 HA THR 4 HA THR 4 1.051 -7.337 -1.643 24 HB THR 4 HB THR 4 -0.844 -8.128 -2.962 25 HG1 THR 4 HG1 THR 4 -0.775 -5.964 -2.982 26 HG21 THR 4 1HG2 THR 4 -3.137 -8.228 -2.070 27 HG22 THR 4 2HG2 THR 4 -2.542 -7.882 -0.444 28 HG23 THR 4 3HG2 THR 4 -2.098 -9.392 -1.248 29 H ARG 5 H ARG 5 -0.585 -8.742 1.121 30 HA ARG 5 HA ARG 5 -1.177 -6.316 2.503 31 HB2 ARG 5 2HB ARG 5 -0.845 -9.124 3.646 32 HB3 ARG 5 3HB ARG 5 -1.487 -7.733 4.514 33 HG2 ARG 5 2HG ARG 5 -3.378 -7.637 2.898 34 HG3 ARG 5 3HG ARG 5 -2.765 -9.109 2.133 35 HD2 ARG 5 2HD ARG 5 -2.953 -10.257 4.353 36 HD3 ARG 5 3HD ARG 5 -3.714 -8.802 5.002 37 HE ARG 5 HE ARG 5 -5.334 -9.335 2.961 38 HH11 ARG 5 1HH1 ARG 5 -3.985 -11.528 5.369 39 HH12 ARG 5 2HH1 ARG 5 -5.334 -12.609 5.309 40 HH21 ARG 5 1HH2 ARG 5 -7.123 -10.738 2.965 41 HH22 ARG 5 2HH2 ARG 5 -7.106 -12.163 3.948 42 H LYS 6 H LYS 6 1.609 -8.563 2.527 43 HA LYS 6 HA LYS 6 3.154 -7.395 4.546 44 HB2 LYS 6 2HB LYS 6 3.955 -9.496 3.734 45 HB3 LYS 6 3HB LYS 6 3.881 -8.978 2.059 46 HG2 LYS 6 2HG LYS 6 5.829 -7.529 3.818 47 HG3 LYS 6 3HG LYS 6 6.217 -9.207 3.440 48 HD2 LYS 6 2HD LYS 6 6.509 -8.770 1.154 49 HD3 LYS 6 3HD LYS 6 5.464 -7.352 1.172 50 HE2 LYS 6 2HE LYS 6 7.828 -6.769 0.805 51 HE3 LYS 6 3HE LYS 6 7.200 -6.046 2.287 52 HZ1 LYS 6 1HZ LYS 6 8.315 -7.729 3.582 53 HZ2 LYS 6 2HZ LYS 6 9.439 -7.035 2.533 54 HZ3 LYS 6 3HZ LYS 6 8.799 -8.553 2.191 55 H LYS 7 H LYS 7 2.982 -6.748 1.069 56 HA LYS 7 HA LYS 7 4.886 -4.700 0.880 57 HB2 LYS 7 2HB LYS 7 4.039 -5.937 -1.049 58 HB3 LYS 7 3HB LYS 7 2.429 -5.258 -0.832 59 HG2 LYS 7 2HG LYS 7 3.153 -3.073 -1.518 60 HG3 LYS 7 3HG LYS 7 4.858 -3.519 -1.376 61 HD2 LYS 7 2HD LYS 7 2.924 -4.717 -3.389 62 HD3 LYS 7 3HD LYS 7 4.044 -3.401 -3.741 63 HE2 LYS 7 2HE LYS 7 5.958 -4.867 -3.340 64 HE3 LYS 7 3HE LYS 7 4.892 -6.166 -2.802 65 HZ1 LYS 7 1HZ LYS 7 3.950 -6.282 -5.007 66 HZ2 LYS 7 2HZ LYS 7 5.619 -6.505 -5.064 67 HZ3 LYS 7 3HZ LYS 7 4.953 -5.024 -5.540 68 H CYS 8 H CYS 8 1.364 -4.602 1.328 69 HA CYS 8 HA CYS 8 0.841 -1.905 1.488 70 HB2 CYS 8 2HB CYS 8 -1.032 -3.340 1.494 71 HB3 CYS 8 3HB CYS 8 -0.404 -4.309 2.822 72 H THR 9 H THR 9 1.912 -4.131 4.059 73 HA THR 9 HA THR 9 1.649 -2.388 6.255 74 HB THR 9 HB THR 9 3.459 -4.842 5.974 75 HG1 THR 9 HG1 THR 9 0.896 -4.780 5.836 76 HG21 THR 9 1HG2 THR 9 4.081 -3.464 7.939 77 HG22 THR 9 2HG2 THR 9 3.326 -4.978 8.443 78 HG23 THR 9 3HG2 THR 9 2.399 -3.477 8.476 79 H GLU 10 H GLU 10 4.432 -3.182 4.154 80 HA GLU 10 HA GLU 10 6.345 -1.504 5.409 81 HB2 GLU 10 2HB GLU 10 6.990 -3.351 3.888 82 HB3 GLU 10 3HB GLU 10 6.272 -2.488 2.527 83 HG2 GLU 10 2HG GLU 10 7.893 -0.621 2.911 84 HG3 GLU 10 3HG GLU 10 8.660 -1.579 4.180 85 H MET 11 H MET 11 4.048 -0.986 2.731 86 HA MET 11 HA MET 11 4.886 1.633 2.022 87 HB2 MET 11 2HB MET 11 2.189 0.294 1.597 88 HB3 MET 11 3HB MET 11 2.678 1.804 0.849 89 HG2 MET 11 2HG MET 11 3.961 -0.892 0.340 90 HG3 MET 11 3HG MET 11 2.765 -0.125 -0.689 91 HE1 MET 11 1HE MET 11 6.452 -0.786 -0.191 92 HE2 MET 11 2HE MET 11 6.385 0.581 0.923 93 HE3 MET 11 3HE MET 11 7.260 0.727 -0.602 94 H LYS 12 H LYS 12 2.754 0.408 4.538 95 HA LYS 12 HA LYS 12 1.457 2.886 5.180 96 HB2 LYS 12 2HB LYS 12 1.765 0.260 6.680 97 HB3 LYS 12 3HB LYS 12 0.905 1.631 7.368 98 HG2 LYS 12 2HG LYS 12 0.017 0.756 4.646 99 HG3 LYS 12 3HG LYS 12 -0.314 -0.367 5.962 100 HD2 LYS 12 2HD LYS 12 -2.239 1.091 5.556 101 HD3 LYS 12 3HD LYS 12 -1.571 1.395 7.158 102 HE2 LYS 12 2HE LYS 12 -0.464 3.437 6.299 103 HE3 LYS 12 3HE LYS 12 -1.109 3.102 4.689 104 HZ1 LYS 12 1HZ LYS 12 -2.408 4.744 5.988 105 HZ2 LYS 12 2HZ LYS 12 -2.814 3.517 7.074 106 HZ3 LYS 12 3HZ LYS 12 -3.307 3.413 5.470 107 H LYS 13 H LYS 13 4.312 1.146 6.341 108 HA LYS 13 HA LYS 13 4.964 2.882 8.501 109 HB2 LYS 13 2HB LYS 13 6.711 0.926 6.934 110 HB3 LYS 13 3HB LYS 13 7.182 1.709 8.445 111 HG2 LYS 13 2HG LYS 13 5.365 0.587 9.633 112 HG3 LYS 13 3HG LYS 13 4.807 -0.152 8.130 113 HD2 LYS 13 2HD LYS 13 6.945 -1.401 7.960 114 HD3 LYS 13 3HD LYS 13 7.501 -0.658 9.462 115 HE2 LYS 13 2HE LYS 13 5.588 -1.736 10.645 116 HE3 LYS 13 3HE LYS 13 5.134 -2.527 9.135 117 HZ1 LYS 13 1HZ LYS 13 7.693 -2.903 10.599 118 HZ2 LYS 13 2HZ LYS 13 7.287 -3.648 9.141 119 HZ3 LYS 13 3HZ LYS 13 6.410 -3.996 10.538 120 H LYS 14 H LYS 14 6.170 2.560 5.186 121 HA LYS 14 HA LYS 14 7.931 4.778 5.144 122 HB2 LYS 14 2HB LYS 14 6.785 2.870 3.139 123 HB3 LYS 14 3HB LYS 14 7.263 4.425 2.482 124 HG2 LYS 14 2HG LYS 14 9.106 2.646 4.098 125 HG3 LYS 14 3HG LYS 14 9.006 2.626 2.332 126 HD2 LYS 14 2HD LYS 14 9.657 5.036 2.281 127 HD3 LYS 14 3HD LYS 14 9.787 5.037 4.042 128 HE2 LYS 14 2HE LYS 14 11.995 4.840 2.921 129 HE3 LYS 14 3HE LYS 14 11.626 3.448 3.935 130 HZ1 LYS 14 1HZ LYS 14 11.226 3.503 1.001 131 HZ2 LYS 14 2HZ LYS 14 11.083 2.167 2.022 132 HZ3 LYS 14 3HZ LYS 14 12.595 2.871 1.761 133 H PHE 15 H PHE 15 4.888 4.405 3.391 134 HA PHE 15 HA PHE 15 4.653 7.291 3.023 135 HB2 PHE 15 2HB PHE 15 3.003 5.044 1.788 136 HB3 PHE 15 3HB PHE 15 3.130 6.699 1.205 137 HD1 PHE 15 HD1 PHE 15 3.892 3.702 0.037 138 HD2 PHE 15 HD2 PHE 15 6.080 7.169 1.301 139 HE1 PHE 15 HE1 PHE 15 5.809 3.025 -1.354 140 HE2 PHE 15 HE2 PHE 15 7.978 6.462 -0.091 141 HZ PHE 15 HZ PHE 15 7.842 4.401 -1.418 142 H LYS 16 H LYS 16 4.249 7.430 5.335 143 HA LYS 16 HA LYS 16 1.977 6.359 6.642 144 HB2 LYS 16 2HB LYS 16 4.075 6.944 7.791 145 HB3 LYS 16 3HB LYS 16 3.872 8.639 7.349 146 HG2 LYS 16 2HG LYS 16 1.832 8.738 8.753 147 HG3 LYS 16 3HG LYS 16 2.083 7.049 9.213 148 HD2 LYS 16 2HD LYS 16 4.248 7.663 10.249 149 HD3 LYS 16 3HD LYS 16 3.994 9.350 9.786 150 HE2 LYS 16 2HE LYS 16 3.405 9.023 12.132 151 HE3 LYS 16 3HE LYS 16 1.961 9.407 11.197 152 HZ1 LYS 16 1HZ LYS 16 1.455 7.626 12.685 153 HZ2 LYS 16 2HZ LYS 16 2.789 6.728 12.176 154 HZ3 LYS 16 3HZ LYS 16 1.494 6.985 11.122 155 H ASN 17 H ASN 17 2.725 9.513 5.189 156 HA ASN 17 HA ASN 17 0.046 10.579 5.800 157 HB2 ASN 17 2HB ASN 17 2.523 11.981 4.696 158 HB3 ASN 17 3HB ASN 17 0.991 12.774 5.048 159 HD21 ASN 17 1HD2 ASN 17 1.847 14.161 6.589 160 HD22 ASN 17 2HD2 ASN 17 2.412 13.632 8.129 161 H CYS 18 H CYS 18 1.280 8.704 3.478 162 HA CYS 18 HA CYS 18 -0.277 9.902 1.254 163 HB2 CYS 18 2HB CYS 18 1.848 7.718 1.184 164 HB3 CYS 18 3HB CYS 18 1.015 8.377 -0.217 165 H GLU 19 H GLU 19 -1.973 8.656 0.289 166 HA GLU 19 HA GLU 19 -3.306 6.959 2.211 167 HB2 GLU 19 2HB GLU 19 -4.465 8.712 0.857 168 HB3 GLU 19 3HB GLU 19 -4.138 7.776 -0.586 169 HG2 GLU 19 2HG GLU 19 -5.562 5.953 0.218 170 HG3 GLU 19 3HG GLU 19 -5.875 6.834 1.719 171 H VAL 20 H VAL 20 -2.147 5.047 2.311 172 HA VAL 20 HA VAL 20 -1.456 3.478 -0.043 173 HB VAL 20 HB VAL 20 -1.210 2.923 2.953 174 HG11 VAL 20 1HG1 VAL 20 -0.086 1.266 0.663 175 HG12 VAL 20 2HG1 VAL 20 -1.374 0.766 1.759 176 HG13 VAL 20 3HG1 VAL 20 0.260 1.014 2.378 177 HG21 VAL 20 1HG2 VAL 20 0.226 4.747 2.143 178 HG22 VAL 20 2HG2 VAL 20 0.899 3.678 0.907 179 HG23 VAL 20 3HG2 VAL 20 1.185 3.343 2.616 180 H ARG 21 H ARG 21 -3.111 2.464 -1.039 181 HA ARG 21 HA ARG 21 -5.460 1.454 0.406 182 HB2 ARG 21 2HB ARG 21 -4.975 1.844 -2.581 183 HB3 ARG 21 3HB ARG 21 -6.488 1.287 -1.868 184 HG2 ARG 21 2HG ARG 21 -6.744 3.461 -0.719 185 HG3 ARG 21 3HG ARG 21 -5.220 4.019 -1.420 186 HD2 ARG 21 2HD ARG 21 -6.160 3.869 -3.664 187 HD3 ARG 21 3HD ARG 21 -7.651 3.165 -3.034 188 HE ARG 21 HE ARG 21 -6.785 5.904 -2.323 189 HH11 ARG 21 1HH1 ARG 21 -9.299 3.718 -3.511 190 HH12 ARG 21 2HH1 ARG 21 -10.505 4.962 -3.566 191 HH21 ARG 21 1HH2 ARG 21 -8.395 7.514 -2.436 192 HH22 ARG 21 2HH2 ARG 21 -9.996 7.099 -2.961 193 H CYS 22 H CYS 22 -5.162 -0.550 1.120 194 HA CYS 22 HA CYS 22 -3.533 -2.530 -0.345 195 HB2 CYS 22 2HB CYS 22 -4.642 -2.780 2.474 196 HB3 CYS 22 3HB CYS 22 -3.216 -3.556 1.777 197 H ASP 23 H ASP 23 -4.413 -4.743 -0.603 198 HA ASP 23 HA ASP 23 -7.079 -5.435 -0.004 199 HB2 ASP 23 2HB ASP 23 -7.482 -3.634 -1.798 200 HB3 ASP 23 3HB ASP 23 -6.797 -4.757 -2.968 201 H GLU 24 H GLU 24 -7.333 -7.574 -0.162 202 HA GLU 24 HA GLU 24 -5.118 -9.241 -0.965 203 HB2 GLU 24 2HB GLU 24 -6.428 -11.089 0.006 204 HB3 GLU 24 3HB GLU 24 -6.402 -9.712 1.105 205 HG2 GLU 24 2HG GLU 24 -8.687 -9.074 0.238 206 HG3 GLU 24 3HG GLU 24 -8.708 -10.582 -0.672 207 H SER 25 H SER 25 -8.377 -8.532 -2.202 208 HA SER 25 HA SER 25 -8.520 -10.776 -4.005 209 HB2 SER 25 2HB SER 25 -10.542 -9.769 -3.064 210 HB3 SER 25 3HB SER 25 -10.183 -8.231 -3.847 211 HG SER 25 HG SER 25 -11.304 -10.527 -4.870 212 H ASN 26 H ASN 26 -7.611 -7.419 -4.216 213 HA ASN 26 HA ASN 26 -7.295 -7.250 -7.058 214 HB2 ASN 26 2HB ASN 26 -7.691 -5.297 -5.419 215 HB3 ASN 26 3HB ASN 26 -6.000 -5.444 -4.962 216 HD21 ASN 26 1HD2 ASN 26 -7.327 -3.165 -6.133 217 HD22 ASN 26 2HD2 ASN 26 -6.538 -2.829 -7.631 218 H HIS 27 H HIS 27 -5.273 -8.067 -4.290 219 HA HIS 27 HA HIS 27 -3.157 -8.780 -3.983 220 HB2 HIS 27 2HB HIS 27 -3.298 -9.665 -6.898 221 HB3 HIS 27 3HB HIS 27 -2.017 -10.108 -5.776 222 HD1 HIS 27 HD1 HIS 27 -2.493 -11.962 -4.080 223 HD2 HIS 27 HD2 HIS 27 -5.785 -10.990 -6.425 224 HE1 HIS 27 HE1 HIS 27 -4.198 -13.762 -3.657 225 HE2 HIS 27 HE2 HIS 27 -6.229 -13.038 -4.942 226 H CYS 28 H CYS 28 -3.587 -6.105 -4.523 227 HA CYS 28 HA CYS 28 -0.958 -5.219 -5.332 228 HB2 CYS 28 2HB CYS 28 -2.106 -5.325 -7.525 229 HB3 CYS 28 3HB CYS 28 -3.368 -4.261 -6.922 230 H VAL 29 H VAL 29 -0.467 -3.133 -4.705 231 HA VAL 29 HA VAL 29 -2.319 -1.776 -2.834 232 HB VAL 29 HB VAL 29 0.741 -1.727 -2.870 233 HG11 VAL 29 1HG1 VAL 29 0.570 -0.541 -0.703 234 HG12 VAL 29 2HG1 VAL 29 -1.189 -0.509 -0.866 235 HG13 VAL 29 3HG1 VAL 29 -0.181 0.378 -2.011 236 HG21 VAL 29 1HG2 VAL 29 -1.109 -3.142 -0.914 237 HG22 VAL 29 2HG2 VAL 29 0.652 -3.059 -0.793 238 HG23 VAL 29 3HG2 VAL 29 -0.101 -3.928 -2.134 239 H GLU 30 H GLU 30 -3.002 0.191 -3.508 240 HA GLU 30 HA GLU 30 -1.430 1.735 -5.490 241 HB2 GLU 30 2HB GLU 30 -3.722 1.270 -6.258 242 HB3 GLU 30 3HB GLU 30 -4.378 1.938 -4.761 243 HG2 GLU 30 2HG GLU 30 -3.226 4.140 -5.399 244 HG3 GLU 30 3HG GLU 30 -2.945 3.424 -6.981 245 H VAL 31 H VAL 31 -0.208 3.273 -4.474 246 HA VAL 31 HA VAL 31 -1.159 4.463 -1.949 247 HB VAL 31 HB VAL 31 1.540 4.856 -3.298 248 HG11 VAL 31 1HG1 VAL 31 0.982 6.599 -1.680 249 HG12 VAL 31 2HG1 VAL 31 2.290 5.594 -1.056 250 HG13 VAL 31 3HG1 VAL 31 0.645 5.383 -0.443 251 HG21 VAL 31 1HG2 VAL 31 1.272 2.459 -2.829 252 HG22 VAL 31 2HG2 VAL 31 0.865 2.817 -1.145 253 HG23 VAL 31 3HG2 VAL 31 2.482 3.175 -1.758 254 H ARG 32 H ARG 32 -2.513 6.049 -2.401 255 HA ARG 32 HA ARG 32 -2.063 8.011 -4.549 256 HB2 ARG 32 2HB ARG 32 -4.257 6.861 -4.445 257 HB3 ARG 32 3HB ARG 32 -4.492 7.419 -2.798 258 HG2 ARG 32 2HG ARG 32 -4.683 9.730 -3.559 259 HG3 ARG 32 3HG ARG 32 -4.276 9.250 -5.202 260 HD2 ARG 32 2HD ARG 32 -6.761 8.438 -3.660 261 HD3 ARG 32 3HD ARG 32 -6.687 9.601 -4.990 262 HE ARG 32 HE ARG 32 -5.908 6.780 -5.403 263 HH11 ARG 32 1HH1 ARG 32 -8.094 9.442 -6.247 264 HH12 ARG 32 2HH1 ARG 32 -8.745 8.599 -7.609 265 HH21 ARG 32 1HH2 ARG 32 -6.725 5.762 -7.237 266 HH22 ARG 32 2HH2 ARG 32 -7.972 6.516 -8.170 267 H CYS 33 H CYS 33 -0.331 9.152 -3.397 268 HA CYS 33 HA CYS 33 -0.607 9.965 -0.691 269 HB2 CYS 33 2HB CYS 33 1.574 9.728 -2.009 270 HB3 CYS 33 3HB CYS 33 1.236 11.318 -2.672 271 H SER 34 H SER 34 -0.816 11.886 -3.693 272 HA SER 34 HA SER 34 -3.126 13.318 -2.929 273 HB2 SER 34 2HB SER 34 -1.496 14.517 -1.430 274 HB3 SER 34 3HB SER 34 -0.542 14.961 -2.842 275 HG SER 34 HG SER 34 -2.740 16.140 -1.810 276 H ASP 35 H ASP 35 -0.104 13.685 -4.739 277 HA ASP 35 HA ASP 35 -1.575 14.301 -7.236 278 HB2 ASP 35 2HB ASP 35 -0.639 16.364 -6.296 279 HB3 ASP 35 3HB ASP 35 0.944 15.614 -6.128 280 H THR 36 H THR 36 1.064 12.580 -5.646 281 HA THR 36 HA THR 36 2.484 11.810 -8.013 282 HB THR 36 HB THR 36 3.459 9.982 -6.459 283 HG1 THR 36 HG1 THR 36 2.864 11.106 -4.150 284 HG21 THR 36 1HG2 THR 36 4.638 12.126 -6.854 285 HG22 THR 36 2HG2 THR 36 4.860 11.560 -5.199 286 HG23 THR 36 3HG2 THR 36 3.724 12.867 -5.537 287 H LYS 37 H LYS 37 0.634 9.742 -5.758 288 HA LYS 37 HA LYS 37 -0.592 7.886 -5.963 289 HB2 LYS 37 2HB LYS 37 -2.173 9.506 -6.965 290 HB3 LYS 37 3HB LYS 37 -1.524 9.138 -8.558 291 HG2 LYS 37 2HG LYS 37 -2.294 6.724 -8.207 292 HG3 LYS 37 3HG LYS 37 -3.125 7.275 -6.747 293 HD2 LYS 37 2HD LYS 37 -4.703 7.184 -8.649 294 HD3 LYS 37 3HD LYS 37 -4.472 8.853 -8.116 295 HE2 LYS 37 2HE LYS 37 -2.830 9.188 -9.975 296 HE3 LYS 37 3HE LYS 37 -3.154 7.542 -10.523 297 HZ1 LYS 37 1HZ LYS 37 -5.223 9.649 -10.321 298 HZ2 LYS 37 2HZ LYS 37 -5.371 8.131 -11.034 299 HZ3 LYS 37 3HZ LYS 37 -4.375 9.290 -11.736 300 H TYR 38 H TYR 38 1.139 6.492 -6.101 301 HA TYR 38 HA TYR 38 1.800 5.312 -8.743 302 HB2 TYR 38 2HB TYR 38 3.933 4.475 -7.477 303 HB3 TYR 38 3HB TYR 38 3.862 6.154 -7.960 304 HD1 TYR 38 HD1 TYR 38 3.724 3.875 -5.052 305 HD2 TYR 38 HD2 TYR 38 3.734 7.952 -6.342 306 HE1 TYR 38 HE1 TYR 38 4.140 4.597 -2.749 307 HE2 TYR 38 HE2 TYR 38 4.174 8.687 -4.040 308 HH TYR 38 HH TYR 38 5.166 6.617 -1.606 309 H THR 39 H THR 39 2.055 3.006 -8.816 310 HA THR 39 HA THR 39 0.401 1.577 -6.823 311 HB THR 39 HB THR 39 0.474 1.205 -9.849 312 HG1 THR 39 HG1 THR 39 -0.989 2.825 -8.211 313 HG21 THR 39 1HG2 THR 39 -1.425 -0.359 -9.491 314 HG22 THR 39 2HG2 THR 39 -1.223 -0.186 -7.746 315 HG23 THR 39 3HG2 THR 39 0.049 -0.943 -8.706 316 H LEU 40 H LEU 40 1.431 0.012 -5.840 317 HA LEU 40 HA LEU 40 3.686 -1.451 -7.077 318 HB2 LEU 40 2HB LEU 40 3.279 -0.507 -4.217 319 HB3 LEU 40 3HB LEU 40 4.251 -1.933 -4.549 320 HG LEU 40 HG LEU 40 5.684 -0.418 -6.070 321 HD11 LEU 40 1HD1 LEU 40 4.277 1.782 -4.538 322 HD12 LEU 40 2HD1 LEU 40 4.165 1.482 -6.275 323 HD13 LEU 40 3HD1 LEU 40 5.701 1.977 -5.567 324 HD21 LEU 40 1HD2 LEU 40 6.455 -1.280 -3.910 325 HD22 LEU 40 2HD2 LEU 40 5.691 0.077 -3.079 326 HD23 LEU 40 3HD2 LEU 40 7.041 0.361 -4.180 327 H CYS 41 H CYS 41 2.627 -3.200 -7.852 328 HA CYS 41 HA CYS 41 0.475 -4.475 -6.369 329 HB2 CYS 41 2HB CYS 41 1.587 -5.040 -9.151 330 HB3 CYS 41 3HB CYS 41 0.231 -5.902 -8.420
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