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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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650168 |
6sab ![]() ![]() |
34418 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLN 1 H1 GLN 1 -16.397 6.597 0.298 2 H2 GLN 1 H2 GLN 1 -17.158 5.302 0.914 3 H3 GLN 1 H3 GLN 1 -17.536 5.828 -0.575 4 HA GLN 1 HA GLN 1 -16.203 3.860 -0.697 5 HB2 GLN 1 HB2 GLN 1 -14.767 6.370 -1.595 6 HB3 GLN 1 HB3 GLN 1 -14.443 4.748 -2.185 7 HG2 GLN 1 HG2 GLN 1 -16.772 4.643 -3.025 8 HG3 GLN 1 HG3 GLN 1 -16.978 6.323 -2.542 9 HE21 GLN 1 HE21 GLN 1 -14.014 5.029 -3.868 10 HE22 GLN 1 HE22 GLN 1 -14.086 5.889 -5.363 11 H MET 2 H MET 2 -13.527 3.665 -0.857 12 HA MET 2 HA MET 2 -11.721 3.068 0.353 13 HB2 MET 2 HB2 MET 2 -12.437 5.457 2.053 14 HB3 MET 2 HB3 MET 2 -10.931 4.562 2.143 15 HG2 MET 2 HG2 MET 2 -10.379 6.428 0.882 16 HG3 MET 2 HG3 MET 2 -10.637 5.176 -0.333 17 HE1 MET 2 HE1 MET 2 -11.896 8.352 -2.195 18 HE2 MET 2 HE2 MET 2 -10.840 6.942 -2.257 19 HE3 MET 2 HE3 MET 2 -10.526 8.229 -1.093 20 H ASP 3 H ASP 3 -12.602 1.130 1.013 21 HA ASP 3 HA ASP 3 -13.859 1.099 3.670 22 HB2 ASP 3 HB2 ASP 3 -15.425 0.904 1.692 23 HB3 ASP 3 HB3 ASP 3 -14.683 -0.659 1.373 24 H MET 4 H MET 4 -11.103 0.490 2.967 25 HA MET 4 HA MET 4 -9.467 -1.060 3.269 26 HB2 MET 4 HB2 MET 4 -9.619 -2.166 5.485 27 HB3 MET 4 HB3 MET 4 -9.964 -0.443 5.527 28 HG2 MET 4 HG2 MET 4 -12.313 -0.868 5.665 29 HG3 MET 4 HG3 MET 4 -12.053 -2.595 5.469 30 HE1 MET 4 HE1 MET 4 -13.270 -2.368 9.157 31 HE2 MET 4 HE2 MET 4 -13.485 -3.152 7.593 32 HE3 MET 4 HE3 MET 4 -13.830 -1.433 7.771 33 H ARG 5 H ARG 5 -11.222 -2.098 1.340 34 HA ARG 5 HA ARG 5 -11.138 -4.950 2.026 35 HB2 ARG 5 HB2 ARG 5 -13.136 -5.257 0.610 36 HB3 ARG 5 HB3 ARG 5 -13.435 -4.273 2.031 37 HG2 ARG 5 HG2 ARG 5 -13.402 -2.271 0.685 38 HG3 ARG 5 HG3 ARG 5 -12.978 -3.218 -0.743 39 HD2 ARG 5 HD2 ARG 5 -15.372 -2.645 -0.663 40 HD3 ARG 5 HD3 ARG 5 -15.088 -4.382 -0.653 41 HE ARG 5 HE ARG 5 -15.743 -2.819 1.774 42 HH11 ARG 5 HH11 ARG 5 -16.045 -5.721 -0.184 43 HH12 ARG 5 HH12 ARG 5 -17.168 -6.477 0.899 44 HH21 ARG 5 HH21 ARG 5 -17.203 -3.821 3.190 45 HH22 ARG 5 HH22 ARG 5 -17.818 -5.406 2.828 46 H CYS 6 H CYS 6 -9.043 -3.646 0.809 47 HA CYS 6 HA CYS 6 -7.552 -3.952 -0.877 48 HB2 CYS 6 HB2 CYS 6 -8.259 -6.360 -0.421 49 HB3 CYS 6 HB3 CYS 6 -9.315 -6.213 -1.816 50 H SER 7 H SER 7 -9.853 -2.262 -1.185 51 HA SER 7 HA SER 7 -9.535 -1.597 -3.933 52 HB2 SER 7 HB2 SER 7 -12.275 -2.512 -3.018 53 HB3 SER 7 HB3 SER 7 -11.871 -1.827 -4.580 54 HG SER 7 HG SER 7 -10.253 -3.886 -4.157 55 H ALA 8 H ALA 8 -9.256 -0.475 -1.196 56 HA ALA 8 HA ALA 8 -11.460 1.343 -0.850 57 HB1 ALA 8 HB1 ALA 8 -10.363 0.438 1.101 58 HB2 ALA 8 HB2 ALA 8 -10.169 2.191 1.065 59 HB3 ALA 8 HB3 ALA 8 -8.831 1.146 0.598 60 H SER 9 H SER 9 -8.861 1.333 -2.889 61 HA SER 9 HA SER 9 -8.108 2.867 -4.390 62 HB2 SER 9 HB2 SER 9 -10.242 4.669 -3.214 63 HB3 SER 9 HB3 SER 9 -9.420 4.895 -4.763 64 HG SER 9 HG SER 9 -11.468 3.166 -4.066 65 H VAL 10 H VAL 10 -6.827 2.669 -1.840 66 HA VAL 10 HA VAL 10 -5.332 5.091 -1.776 67 HB VAL 10 HB VAL 10 -7.389 5.906 -0.699 68 HG11 VAL 10 HG11 VAL 10 -6.781 3.848 1.415 69 HG12 VAL 10 HG12 VAL 10 -8.174 3.867 0.333 70 HG13 VAL 10 HG13 VAL 10 -7.988 5.127 1.553 71 HG21 VAL 10 HG21 VAL 10 -6.342 6.896 1.283 72 HG22 VAL 10 HG22 VAL 10 -5.276 6.938 -0.123 73 HG23 VAL 10 HG23 VAL 10 -5.016 5.742 1.147 74 H GLU 11 H GLU 11 -6.086 1.978 -0.389 75 HA GLU 11 HA GLU 11 -4.200 1.896 1.685 76 HB2 GLU 11 HB2 GLU 11 -4.773 -0.586 0.146 77 HB3 GLU 11 HB3 GLU 11 -4.724 -0.335 1.877 78 HG2 GLU 11 HG2 GLU 11 -6.940 -0.622 1.644 79 HG3 GLU 11 HG3 GLU 11 -6.869 1.115 1.345 80 H CYS 12 H CYS 12 -3.821 1.748 -1.715 81 HA CYS 12 HA CYS 12 -1.376 0.265 -1.727 82 HB2 CYS 12 HB2 CYS 12 -2.511 2.041 -3.893 83 HB3 CYS 12 HB3 CYS 12 -1.264 0.806 -4.084 84 H LYS 13 H LYS 13 -1.790 2.952 -0.229 85 HA LYS 13 HA LYS 13 0.844 3.954 -1.027 86 HB2 LYS 13 HB2 LYS 13 -1.311 5.691 0.184 87 HB3 LYS 13 HB3 LYS 13 0.209 6.203 -0.538 88 HG2 LYS 13 HG2 LYS 13 -1.861 4.804 -2.180 89 HG3 LYS 13 HG3 LYS 13 -1.983 6.532 -1.854 90 HD2 LYS 13 HD2 LYS 13 0.246 6.864 -2.824 91 HD3 LYS 13 HD3 LYS 13 0.363 5.133 -3.150 92 HE2 LYS 13 HE2 LYS 13 -0.276 6.319 -5.159 93 HE3 LYS 13 HE3 LYS 13 -1.604 5.297 -4.614 94 HZ1 LYS 13 HZ1 LYS 13 -2.329 7.501 -5.270 95 HZ2 LYS 13 HZ2 LYS 13 -1.407 8.183 -4.122 96 HZ3 LYS 13 HZ3 LYS 13 -2.652 7.229 -3.700 97 H GLN 14 H GLN 14 -1.490 4.185 1.668 98 HA GLN 14 HA GLN 14 0.463 4.714 3.620 99 HB2 GLN 14 HB2 GLN 14 -2.414 3.890 3.722 100 HB3 GLN 14 HB3 GLN 14 -1.463 3.925 5.199 101 HG2 GLN 14 HG2 GLN 14 -2.641 5.990 4.998 102 HG3 GLN 14 HG3 GLN 14 -0.925 6.289 4.751 103 HE21 GLN 14 HE21 GLN 14 -0.194 6.937 2.755 104 HE22 GLN 14 HE22 GLN 14 -1.255 7.462 1.496 105 H LYS 15 H LYS 15 -1.262 1.679 2.870 106 HA LYS 15 HA LYS 15 -0.080 0.086 4.831 107 HB2 LYS 15 HB2 LYS 15 -1.847 -0.312 2.758 108 HB3 LYS 15 HB3 LYS 15 -0.458 -1.281 2.287 109 HG2 LYS 15 HG2 LYS 15 -1.891 -1.486 4.928 110 HG3 LYS 15 HG3 LYS 15 -2.104 -2.574 3.559 111 HD2 LYS 15 HD2 LYS 15 0.274 -3.194 3.703 112 HD3 LYS 15 HD3 LYS 15 0.452 -2.134 5.104 113 HE2 LYS 15 HE2 LYS 15 -1.189 -3.467 6.324 114 HE3 LYS 15 HE3 LYS 15 -1.390 -4.514 4.921 115 HZ1 LYS 15 HZ1 LYS 15 0.924 -5.131 5.155 116 HZ2 LYS 15 HZ2 LYS 15 0.096 -5.486 6.505 117 HZ3 LYS 15 HZ3 LYS 15 1.076 -4.193 6.476 118 H CYS 16 H CYS 16 0.983 0.884 1.575 119 HA CYS 16 HA CYS 16 3.270 -0.804 1.602 120 HB2 CYS 16 HB2 CYS 16 2.015 0.338 -0.409 121 HB3 CYS 16 HB3 CYS 16 3.126 1.666 -0.091 122 H LEU 17 H LEU 17 2.624 2.475 2.601 123 HA LEU 17 HA LEU 17 5.320 3.278 2.931 124 HB2 LEU 17 HB2 LEU 17 2.650 4.334 3.388 125 HB3 LEU 17 HB3 LEU 17 3.784 4.831 4.619 126 HG LEU 17 HG LEU 17 4.259 5.193 1.663 127 HD11 LEU 17 HD11 LEU 17 3.229 7.182 3.675 128 HD12 LEU 17 HD12 LEU 17 2.310 6.473 2.347 129 HD13 LEU 17 HD13 LEU 17 3.679 7.532 2.005 130 HD21 LEU 17 HD21 LEU 17 6.300 5.170 2.949 131 HD22 LEU 17 HD22 LEU 17 5.627 6.324 4.099 132 HD23 LEU 17 HD23 LEU 17 5.947 6.821 2.437 133 H LYS 18 H LYS 18 2.939 1.743 4.959 134 HA LYS 18 HA LYS 18 4.575 1.798 7.320 135 HB2 LYS 18 HB2 LYS 18 2.140 0.127 6.669 136 HB3 LYS 18 HB3 LYS 18 2.863 0.309 8.262 137 HG2 LYS 18 HG2 LYS 18 2.270 2.627 8.336 138 HG3 LYS 18 HG3 LYS 18 1.723 2.588 6.659 139 HD2 LYS 18 HD2 LYS 18 -0.013 0.950 7.309 140 HD3 LYS 18 HD3 LYS 18 0.502 1.117 8.989 141 HE2 LYS 18 HE2 LYS 18 -0.543 3.347 7.247 142 HE3 LYS 18 HE3 LYS 18 -1.476 2.489 8.470 143 HZ1 LYS 18 HZ1 LYS 18 -0.614 4.555 9.306 144 HZ2 LYS 18 HZ2 LYS 18 0.913 4.108 8.989 145 HZ3 LYS 18 HZ3 LYS 18 0.058 3.315 10.119 146 H ALA 19 H ALA 19 4.093 -0.323 4.600 147 HA ALA 19 HA ALA 19 5.340 -2.616 5.726 148 HB1 ALA 19 HB1 ALA 19 3.799 -2.766 3.835 149 HB2 ALA 19 HB2 ALA 19 5.362 -3.495 3.460 150 HB3 ALA 19 HB3 ALA 19 4.956 -1.900 2.825 151 H ILE 20 H ILE 20 6.570 -0.656 2.984 152 HA ILE 20 HA ILE 20 9.280 -1.048 4.102 153 HB ILE 20 HB ILE 20 10.210 -1.172 1.878 154 HG12 ILE 20 HG12 ILE 20 7.377 -0.981 0.831 155 HG13 ILE 20 HG13 ILE 20 8.533 0.345 0.813 156 HG21 ILE 20 HG21 ILE 20 9.484 -3.266 2.860 157 HG22 ILE 20 HG22 ILE 20 9.238 -3.298 1.115 158 HG23 ILE 20 HG23 ILE 20 7.866 -3.044 2.193 159 HD11 ILE 20 HD11 ILE 20 9.978 -0.909 -0.675 160 HD12 ILE 20 HD12 ILE 20 8.355 -0.764 -1.353 161 HD13 ILE 20 HD13 ILE 20 8.869 -2.281 -0.615 162 H GLY 21 H GLY 21 6.969 1.207 3.384 163 HA2 GLY 21 HA2 GLY 21 7.219 3.533 3.652 164 HA3 GLY 21 HA3 GLY 21 8.946 3.355 3.381 165 H SER 22 H SER 22 6.097 2.401 1.482 166 HA SER 22 HA SER 22 7.117 4.015 -0.759 167 HB2 SER 22 HB2 SER 22 7.754 1.602 -1.007 168 HB3 SER 22 HB3 SER 22 6.049 1.179 -0.965 169 HG SER 22 HG SER 22 7.495 2.573 -2.942 170 H ILE 23 H ILE 23 5.467 4.531 -2.355 171 HA ILE 23 HA ILE 23 2.743 4.402 -1.248 172 HB ILE 23 HB ILE 23 2.228 6.451 -2.507 173 HG12 ILE 23 HG12 ILE 23 5.202 6.591 -3.032 174 HG13 ILE 23 HG13 ILE 23 3.999 6.158 -4.242 175 HG21 ILE 23 HG21 ILE 23 3.466 7.996 -1.059 176 HG22 ILE 23 HG22 ILE 23 4.563 6.684 -0.620 177 HG23 ILE 23 HG23 ILE 23 2.858 6.599 -0.171 178 HD11 ILE 23 HD11 ILE 23 2.976 8.345 -4.017 179 HD12 ILE 23 HD12 ILE 23 4.683 8.476 -4.442 180 HD13 ILE 23 HD13 ILE 23 4.157 8.779 -2.785 181 H PHE 24 H PHE 24 4.035 2.419 -2.850 182 HA PHE 24 HA PHE 24 2.352 2.510 -5.256 183 HB2 PHE 24 HB2 PHE 24 5.183 1.449 -5.181 184 HB3 PHE 24 HB3 PHE 24 4.153 1.628 -6.598 185 HD1 PHE 24 HD1 PHE 24 3.730 3.823 -7.553 186 HD2 PHE 24 HD2 PHE 24 6.286 3.350 -4.194 187 HE1 PHE 24 HE1 PHE 24 4.609 6.089 -7.909 188 HE2 PHE 24 HE2 PHE 24 7.182 5.604 -4.539 189 HZ PHE 24 HZ PHE 24 6.344 6.984 -6.408 190 H GLY 25 H GLY 25 1.428 1.369 -3.109 191 HA2 GLY 25 HA2 GLY 25 2.203 -1.327 -2.641 192 HA3 GLY 25 HA3 GLY 25 0.743 -0.531 -2.064 193 H LYS 26 H LYS 26 0.896 -3.207 -2.935 194 HA LYS 26 HA LYS 26 -0.732 -3.134 -5.401 195 HB2 LYS 26 HB2 LYS 26 1.066 -5.342 -4.372 196 HB3 LYS 26 HB3 LYS 26 0.044 -5.457 -5.797 197 HG2 LYS 26 HG2 LYS 26 2.297 -3.493 -5.448 198 HG3 LYS 26 HG3 LYS 26 2.405 -5.018 -6.330 199 HD2 LYS 26 HD2 LYS 26 0.634 -4.240 -7.851 200 HD3 LYS 26 HD3 LYS 26 0.576 -2.707 -6.980 201 HE2 LYS 26 HE2 LYS 26 1.907 -2.497 -9.007 202 HE3 LYS 26 HE3 LYS 26 2.912 -2.283 -7.575 203 HZ1 LYS 26 HZ1 LYS 26 2.729 -4.726 -9.189 204 HZ2 LYS 26 HZ2 LYS 26 3.622 -4.572 -7.842 205 HZ3 LYS 26 HZ3 LYS 26 3.988 -3.694 -9.158 206 H CYS 27 H CYS 27 -2.725 -3.878 -5.255 207 HA CYS 27 HA CYS 27 -4.176 -4.180 -2.990 208 HB2 CYS 27 HB2 CYS 27 -5.248 -3.905 -5.101 209 HB3 CYS 27 HB3 CYS 27 -4.583 -5.414 -5.713 210 H MET 28 H MET 28 -3.628 -5.457 -1.315 211 HA MET 28 HA MET 28 -3.818 -8.321 -1.541 212 HB2 MET 28 HB2 MET 28 -1.147 -7.019 -1.037 213 HB3 MET 28 HB3 MET 28 -1.509 -8.630 -0.439 214 HG2 MET 28 HG2 MET 28 -1.566 -7.781 -3.324 215 HG3 MET 28 HG3 MET 28 -0.262 -8.669 -2.539 216 HE1 MET 28 HE1 MET 28 -1.842 -9.591 -5.223 217 HE2 MET 28 HE2 MET 28 -1.949 -11.321 -4.907 218 HE3 MET 28 HE3 MET 28 -0.469 -10.446 -4.525 219 H ASN 29 H ASN 29 -4.221 -9.288 0.424 220 HA ASN 29 HA ASN 29 -4.732 -9.533 2.622 221 HB2 ASN 29 HB2 ASN 29 -2.606 -7.408 2.967 222 HB3 ASN 29 HB3 ASN 29 -3.288 -8.366 4.276 223 HD21 ASN 29 HD21 ASN 29 -0.531 -8.173 3.292 224 HD22 ASN 29 HD22 ASN 29 -0.068 -9.789 2.873 225 H LYS 30 H LYS 30 -6.463 -7.935 1.207 226 HA LYS 30 HA LYS 30 -8.259 -6.590 1.504 227 HB2 LYS 30 HB2 LYS 30 -7.382 -6.652 4.387 228 HB3 LYS 30 HB3 LYS 30 -8.840 -5.838 3.839 229 HG2 LYS 30 HG2 LYS 30 -8.246 -8.780 3.571 230 HG3 LYS 30 HG3 LYS 30 -9.353 -8.036 4.726 231 HD2 LYS 30 HD2 LYS 30 -10.710 -7.190 2.864 232 HD3 LYS 30 HD3 LYS 30 -9.615 -7.970 1.722 233 HE2 LYS 30 HE2 LYS 30 -10.161 -10.153 2.739 234 HE3 LYS 30 HE3 LYS 30 -11.317 -9.343 3.796 235 HZ1 LYS 30 HZ1 LYS 30 -12.523 -8.661 1.851 236 HZ2 LYS 30 HZ2 LYS 30 -12.371 -10.277 1.854 237 HZ3 LYS 30 HZ3 LYS 30 -11.446 -9.380 0.867 238 H LYS 31 H LYS 31 -5.197 -5.588 1.698 239 HA LYS 31 HA LYS 31 -5.998 -2.788 1.397 240 HB2 LYS 31 HB2 LYS 31 -3.660 -3.789 3.036 241 HB3 LYS 31 HB3 LYS 31 -3.868 -2.116 2.549 242 HG2 LYS 31 HG2 LYS 31 -5.744 -3.666 4.318 243 HG3 LYS 31 HG3 LYS 31 -4.534 -2.498 4.856 244 HD2 LYS 31 HD2 LYS 31 -5.680 -0.777 3.494 245 HD3 LYS 31 HD3 LYS 31 -6.936 -1.963 3.127 246 HE2 LYS 31 HE2 LYS 31 -7.605 -0.500 4.966 247 HE3 LYS 31 HE3 LYS 31 -7.446 -2.172 5.499 248 HZ1 LYS 31 HZ1 LYS 31 -5.438 -0.071 5.907 249 HZ2 LYS 31 HZ2 LYS 31 -5.307 -1.610 6.414 250 HZ3 LYS 31 HZ3 LYS 31 -6.448 -0.644 7.047 251 H CYS 32 H CYS 32 -2.757 -2.848 1.437 252 HA CYS 32 HA CYS 32 -2.300 -4.120 -1.127 253 HB2 CYS 32 HB2 CYS 32 -1.814 -1.206 -0.554 254 HB3 CYS 32 HB3 CYS 32 -1.024 -2.061 -1.876 255 H LYS 33 H LYS 33 -0.062 -4.549 -1.507 256 HA LYS 33 HA LYS 33 1.613 -4.339 0.916 257 HB2 LYS 33 HB2 LYS 33 2.310 -6.542 0.673 258 HB3 LYS 33 HB3 LYS 33 0.635 -6.641 0.141 259 HG2 LYS 33 HG2 LYS 33 1.282 -6.634 -2.159 260 HG3 LYS 33 HG3 LYS 33 2.964 -6.318 -1.732 261 HD2 LYS 33 HD2 LYS 33 2.997 -8.502 -0.533 262 HD3 LYS 33 HD3 LYS 33 1.376 -8.816 -1.158 263 HE2 LYS 33 HE2 LYS 33 2.967 -9.910 -2.582 264 HE3 LYS 33 HE3 LYS 33 2.275 -8.548 -3.460 265 HZ1 LYS 33 HZ1 LYS 33 4.274 -7.287 -2.854 266 HZ2 LYS 33 HZ2 LYS 33 4.617 -8.587 -3.770 267 HZ3 LYS 33 HZ3 LYS 33 4.912 -8.627 -2.176 268 H CYS 34 H CYS 34 3.947 -4.308 0.478 269 HA CYS 34 HA CYS 34 4.612 -3.328 -2.198 270 HB2 CYS 34 HB2 CYS 34 6.518 -3.629 0.125 271 HB3 CYS 34 HB3 CYS 34 6.684 -2.596 -1.295 Start of MODEL 2 1 H1 GLN 1 H1 GLN 1 -15.468 8.991 0.739 2 H2 GLN 1 H2 GLN 1 -15.051 9.461 2.239 3 H3 GLN 1 H3 GLN 1 -16.054 8.199 2.034 4 HA GLN 1 HA GLN 1 -13.248 8.281 1.216 5 HB2 GLN 1 HB2 GLN 1 -13.813 8.087 3.722 6 HB3 GLN 1 HB3 GLN 1 -14.490 6.515 3.315 7 HG2 GLN 1 HG2 GLN 1 -12.180 6.419 4.192 8 HG3 GLN 1 HG3 GLN 1 -12.376 5.698 2.594 9 HE21 GLN 1 HE21 GLN 1 -11.041 8.354 4.399 10 HE22 GLN 1 HE22 GLN 1 -10.008 8.941 3.142 11 H MET 2 H MET 2 -12.469 6.289 0.380 12 HA MET 2 HA MET 2 -14.548 4.706 -0.937 13 HB2 MET 2 HB2 MET 2 -11.575 4.903 -1.440 14 HB3 MET 2 HB3 MET 2 -12.701 3.948 -2.391 15 HG2 MET 2 HG2 MET 2 -12.753 6.942 -2.101 16 HG3 MET 2 HG3 MET 2 -12.072 6.061 -3.464 17 HE1 MET 2 HE1 MET 2 -15.224 4.409 -5.063 18 HE2 MET 2 HE2 MET 2 -14.162 3.684 -3.860 19 HE3 MET 2 HE3 MET 2 -13.480 4.644 -5.171 20 H ASP 3 H ASP 3 -14.297 2.373 -0.934 21 HA ASP 3 HA ASP 3 -14.060 1.290 1.611 22 HB2 ASP 3 HB2 ASP 3 -15.269 0.281 -0.377 23 HB3 ASP 3 HB3 ASP 3 -13.701 -0.269 -0.956 24 H MET 4 H MET 4 -12.451 0.356 2.746 25 HA MET 4 HA MET 4 -9.826 1.199 2.240 26 HB2 MET 4 HB2 MET 4 -10.956 -0.748 4.212 27 HB3 MET 4 HB3 MET 4 -9.257 -0.311 4.181 28 HG2 MET 4 HG2 MET 4 -9.836 2.017 4.568 29 HG3 MET 4 HG3 MET 4 -11.547 1.600 4.568 30 HE1 MET 4 HE1 MET 4 -11.893 -0.553 7.796 31 HE2 MET 4 HE2 MET 4 -11.604 -1.142 6.161 32 HE3 MET 4 HE3 MET 4 -12.732 0.185 6.434 33 H ARG 5 H ARG 5 -11.447 -1.322 0.849 34 HA ARG 5 HA ARG 5 -9.363 -3.244 0.655 35 HB2 ARG 5 HB2 ARG 5 -12.068 -2.849 -0.427 36 HB3 ARG 5 HB3 ARG 5 -10.992 -3.814 -1.421 37 HG2 ARG 5 HG2 ARG 5 -10.616 -5.351 0.377 38 HG3 ARG 5 HG3 ARG 5 -11.523 -4.325 1.491 39 HD2 ARG 5 HD2 ARG 5 -12.637 -5.718 -0.936 40 HD3 ARG 5 HD3 ARG 5 -12.852 -6.229 0.734 41 HE ARG 5 HE ARG 5 -13.723 -3.587 0.541 42 HH11 ARG 5 HH11 ARG 5 -14.612 -6.750 -0.676 43 HH12 ARG 5 HH12 ARG 5 -16.298 -6.364 -0.808 44 HH21 ARG 5 HH21 ARG 5 -15.933 -3.075 0.377 45 HH22 ARG 5 HH22 ARG 5 -17.052 -4.277 -0.199 46 H CYS 6 H CYS 6 -7.897 -1.280 0.094 47 HA CYS 6 HA CYS 6 -6.213 -0.727 -1.299 48 HB2 CYS 6 HB2 CYS 6 -6.248 -3.009 -2.129 49 HB3 CYS 6 HB3 CYS 6 -7.546 -2.605 -3.245 50 H SER 7 H SER 7 -9.422 -0.542 -2.568 51 HA SER 7 HA SER 7 -8.687 1.568 -4.435 52 HB2 SER 7 HB2 SER 7 -10.268 -0.271 -5.090 53 HB3 SER 7 HB3 SER 7 -11.409 0.349 -3.899 54 HG SER 7 HG SER 7 -11.225 2.398 -5.102 55 H ALA 8 H ALA 8 -8.550 1.867 -1.498 56 HA ALA 8 HA ALA 8 -10.778 3.501 -0.686 57 HB1 ALA 8 HB1 ALA 8 -8.202 3.276 0.806 58 HB2 ALA 8 HB2 ALA 8 -9.341 1.939 0.744 59 HB3 ALA 8 HB3 ALA 8 -9.839 3.485 1.430 60 H SER 9 H SER 9 -8.324 4.161 -2.694 61 HA SER 9 HA SER 9 -7.255 6.011 -3.426 62 HB2 SER 9 HB2 SER 9 -9.479 7.370 -1.888 63 HB3 SER 9 HB3 SER 9 -8.379 8.202 -2.989 64 HG SER 9 HG SER 9 -9.494 5.991 -4.126 65 H VAL 10 H VAL 10 -6.477 4.792 -0.842 66 HA VAL 10 HA VAL 10 -4.455 6.609 -0.142 67 HB VAL 10 HB VAL 10 -6.307 7.811 0.958 68 HG11 VAL 10 HG11 VAL 10 -7.353 6.891 2.972 69 HG12 VAL 10 HG12 VAL 10 -6.544 5.351 2.684 70 HG13 VAL 10 HG13 VAL 10 -7.744 5.944 1.537 71 HG21 VAL 10 HG21 VAL 10 -4.298 6.621 2.859 72 HG22 VAL 10 HG22 VAL 10 -5.212 8.106 3.120 73 HG23 VAL 10 HG23 VAL 10 -4.039 8.010 1.805 74 H GLU 11 H GLU 11 -6.366 3.800 0.816 75 HA GLU 11 HA GLU 11 -4.585 2.808 2.759 76 HB2 GLU 11 HB2 GLU 11 -6.729 1.481 1.120 77 HB3 GLU 11 HB3 GLU 11 -5.769 0.593 2.293 78 HG2 GLU 11 HG2 GLU 11 -7.445 3.009 2.921 79 HG3 GLU 11 HG3 GLU 11 -7.944 1.337 3.170 80 H CYS 12 H CYS 12 -4.759 2.324 -0.720 81 HA CYS 12 HA CYS 12 -2.857 0.195 -0.763 82 HB2 CYS 12 HB2 CYS 12 -4.599 0.748 -2.562 83 HB3 CYS 12 HB3 CYS 12 -3.491 2.009 -3.088 84 H LYS 13 H LYS 13 -2.569 3.410 -0.096 85 HA LYS 13 HA LYS 13 0.134 3.681 -1.192 86 HB2 LYS 13 HB2 LYS 13 -1.516 5.708 0.336 87 HB3 LYS 13 HB3 LYS 13 -0.037 6.019 -0.558 88 HG2 LYS 13 HG2 LYS 13 -2.530 5.018 -1.891 89 HG3 LYS 13 HG3 LYS 13 -2.219 6.729 -1.628 90 HD2 LYS 13 HD2 LYS 13 -0.087 6.474 -2.875 91 HD3 LYS 13 HD3 LYS 13 -0.545 4.809 -3.233 92 HE2 LYS 13 HE2 LYS 13 -1.106 6.220 -5.107 93 HE3 LYS 13 HE3 LYS 13 -2.583 5.644 -4.340 94 HZ1 LYS 13 HZ1 LYS 13 -1.405 8.293 -3.878 95 HZ2 LYS 13 HZ2 LYS 13 -2.824 7.759 -3.294 96 HZ3 LYS 13 HZ3 LYS 13 -2.647 8.001 -4.891 97 H GLN 14 H GLN 14 -1.602 4.185 1.863 98 HA GLN 14 HA GLN 14 0.773 4.607 3.367 99 HB2 GLN 14 HB2 GLN 14 -2.063 4.069 4.263 100 HB3 GLN 14 HB3 GLN 14 -0.758 4.589 5.320 101 HG2 GLN 14 HG2 GLN 14 -1.814 6.145 2.970 102 HG3 GLN 14 HG3 GLN 14 -2.234 6.430 4.659 103 HE21 GLN 14 HE21 GLN 14 0.208 6.746 2.222 104 HE22 GLN 14 HE22 GLN 14 1.261 7.779 3.123 105 H LYS 15 H LYS 15 -1.261 1.785 2.805 106 HA LYS 15 HA LYS 15 -0.273 0.267 4.969 107 HB2 LYS 15 HB2 LYS 15 -1.914 -0.269 2.598 108 HB3 LYS 15 HB3 LYS 15 -1.023 -1.652 3.231 109 HG2 LYS 15 HG2 LYS 15 -3.261 -1.481 4.199 110 HG3 LYS 15 HG3 LYS 15 -2.004 -1.325 5.418 111 HD2 LYS 15 HD2 LYS 15 -2.276 1.225 5.005 112 HD3 LYS 15 HD3 LYS 15 -3.831 0.768 4.309 113 HE2 LYS 15 HE2 LYS 15 -2.891 0.081 7.094 114 HE3 LYS 15 HE3 LYS 15 -4.004 1.384 6.688 115 HZ1 LYS 15 HZ1 LYS 15 -4.506 -1.462 6.190 116 HZ2 LYS 15 HZ2 LYS 15 -5.545 -0.242 5.890 117 HZ3 LYS 15 HZ3 LYS 15 -5.135 -0.607 7.423 118 H CYS 16 H CYS 16 0.900 0.732 1.695 119 HA CYS 16 HA CYS 16 2.984 -1.235 2.104 120 HB2 CYS 16 HB2 CYS 16 2.023 0.409 -0.175 121 HB3 CYS 16 HB3 CYS 16 3.694 -0.141 -0.208 122 H LEU 17 H LEU 17 2.471 2.079 2.639 123 HA LEU 17 HA LEU 17 5.219 2.869 2.603 124 HB2 LEU 17 HB2 LEU 17 3.088 4.346 2.437 125 HB3 LEU 17 HB3 LEU 17 3.046 4.228 4.184 126 HG LEU 17 HG LEU 17 5.473 5.256 2.736 127 HD11 LEU 17 HD11 LEU 17 4.623 7.521 3.152 128 HD12 LEU 17 HD12 LEU 17 3.089 6.832 3.685 129 HD13 LEU 17 HD13 LEU 17 3.617 6.625 2.016 130 HD21 LEU 17 HD21 LEU 17 5.773 4.628 5.078 131 HD22 LEU 17 HD22 LEU 17 4.429 5.673 5.535 132 HD23 LEU 17 HD23 LEU 17 5.902 6.374 4.867 133 H LYS 18 H LYS 18 2.904 1.751 5.021 134 HA LYS 18 HA LYS 18 4.775 1.768 7.169 135 HB2 LYS 18 HB2 LYS 18 2.253 0.132 6.840 136 HB3 LYS 18 HB3 LYS 18 3.153 0.332 8.336 137 HG2 LYS 18 HG2 LYS 18 2.709 2.773 8.200 138 HG3 LYS 18 HG3 LYS 18 1.671 2.456 6.811 139 HD2 LYS 18 HD2 LYS 18 1.295 1.366 9.601 140 HD3 LYS 18 HD3 LYS 18 0.365 2.666 8.864 141 HE2 LYS 18 HE2 LYS 18 -1.048 0.896 8.517 142 HE3 LYS 18 HE3 LYS 18 -0.114 0.852 7.026 143 HZ1 LYS 18 HZ1 LYS 18 0.389 -0.815 9.386 144 HZ2 LYS 18 HZ2 LYS 18 1.238 -0.874 8.004 145 HZ3 LYS 18 HZ3 LYS 18 -0.323 -1.322 8.016 146 H ALA 19 H ALA 19 3.831 -0.532 4.701 147 HA ALA 19 HA ALA 19 5.185 -2.796 5.608 148 HB1 ALA 19 HB1 ALA 19 3.601 -2.801 3.733 149 HB2 ALA 19 HB2 ALA 19 5.137 -3.557 3.304 150 HB3 ALA 19 HB3 ALA 19 4.775 -1.922 2.752 151 H ILE 20 H ILE 20 6.344 -0.476 3.144 152 HA ILE 20 HA ILE 20 9.084 -0.954 4.103 153 HB ILE 20 HB ILE 20 9.892 -0.879 1.746 154 HG12 ILE 20 HG12 ILE 20 6.977 -1.310 1.065 155 HG13 ILE 20 HG13 ILE 20 7.860 0.189 0.796 156 HG21 ILE 20 HG21 ILE 20 9.324 -3.203 1.230 157 HG22 ILE 20 HG22 ILE 20 8.034 -3.149 2.431 158 HG23 ILE 20 HG23 ILE 20 9.716 -2.988 2.935 159 HD11 ILE 20 HD11 ILE 20 9.344 -0.965 -0.754 160 HD12 ILE 20 HD12 ILE 20 7.656 -1.096 -1.248 161 HD13 ILE 20 HD13 ILE 20 8.461 -2.467 -0.481 162 H GLY 21 H GLY 21 6.782 1.192 2.580 163 HA2 GLY 21 HA2 GLY 21 7.170 3.588 3.239 164 HA3 GLY 21 HA3 GLY 21 8.807 3.342 2.650 165 H SER 22 H SER 22 6.602 1.640 0.789 166 HA SER 22 HA SER 22 6.745 3.680 -1.306 167 HB2 SER 22 HB2 SER 22 7.690 1.410 -1.788 168 HB3 SER 22 HB3 SER 22 6.078 0.737 -1.563 169 HG SER 22 HG SER 22 7.103 1.751 -3.764 170 H ILE 23 H ILE 23 4.935 4.609 -2.100 171 HA ILE 23 HA ILE 23 2.411 3.960 -0.821 172 HB ILE 23 HB ILE 23 1.521 5.923 -1.898 173 HG12 ILE 23 HG12 ILE 23 4.193 6.181 -3.293 174 HG13 ILE 23 HG13 ILE 23 2.712 5.628 -4.068 175 HG21 ILE 23 HG21 ILE 23 2.794 6.253 0.137 176 HG22 ILE 23 HG22 ILE 23 3.017 7.624 -0.950 177 HG23 ILE 23 HG23 ILE 23 4.282 6.403 -0.798 178 HD11 ILE 23 HD11 ILE 23 3.160 7.962 -4.560 179 HD12 ILE 23 HD12 ILE 23 3.148 8.331 -2.835 180 HD13 ILE 23 HD13 ILE 23 1.673 7.779 -3.627 181 H PHE 24 H PHE 24 4.074 2.796 -3.374 182 HA PHE 24 HA PHE 24 1.809 2.556 -5.188 183 HB2 PHE 24 HB2 PHE 24 4.629 1.560 -5.618 184 HB3 PHE 24 HB3 PHE 24 3.403 1.885 -6.841 185 HD1 PHE 24 HD1 PHE 24 5.909 3.340 -4.631 186 HD2 PHE 24 HD2 PHE 24 2.867 4.176 -7.489 187 HE1 PHE 24 HE1 PHE 24 6.767 5.627 -4.863 188 HE2 PHE 24 HE2 PHE 24 3.722 6.472 -7.727 189 HZ PHE 24 HZ PHE 24 5.674 7.199 -6.413 190 H GLY 25 H GLY 25 0.969 1.284 -3.249 191 HA2 GLY 25 HA2 GLY 25 2.028 -1.171 -2.486 192 HA3 GLY 25 HA3 GLY 25 0.375 -0.652 -2.242 193 H LYS 26 H LYS 26 1.389 -3.275 -2.739 194 HA LYS 26 HA LYS 26 0.208 -3.938 -5.348 195 HB2 LYS 26 HB2 LYS 26 1.639 -5.664 -3.312 196 HB3 LYS 26 HB3 LYS 26 1.031 -6.225 -4.864 197 HG2 LYS 26 HG2 LYS 26 3.119 -4.082 -4.536 198 HG3 LYS 26 HG3 LYS 26 3.463 -5.781 -4.861 199 HD2 LYS 26 HD2 LYS 26 1.777 -4.016 -6.631 200 HD3 LYS 26 HD3 LYS 26 3.495 -4.330 -6.888 201 HE2 LYS 26 HE2 LYS 26 1.298 -6.400 -6.848 202 HE3 LYS 26 HE3 LYS 26 2.100 -5.774 -8.284 203 HZ1 LYS 26 HZ1 LYS 26 3.083 -7.824 -7.691 204 HZ2 LYS 26 HZ2 LYS 26 3.327 -7.368 -6.153 205 HZ3 LYS 26 HZ3 LYS 26 4.175 -6.667 -7.348 206 H CYS 27 H CYS 27 -1.957 -3.960 -5.198 207 HA CYS 27 HA CYS 27 -3.612 -4.314 -3.079 208 HB2 CYS 27 HB2 CYS 27 -4.069 -5.308 -5.895 209 HB3 CYS 27 HB3 CYS 27 -5.330 -5.077 -4.688 210 H MET 28 H MET 28 -3.336 -5.810 -1.556 211 HA MET 28 HA MET 28 -4.018 -8.544 -2.055 212 HB2 MET 28 HB2 MET 28 -1.163 -7.783 -1.588 213 HB3 MET 28 HB3 MET 28 -1.772 -9.240 -0.820 214 HG2 MET 28 HG2 MET 28 -1.765 -8.661 -3.772 215 HG3 MET 28 HG3 MET 28 -0.661 -9.738 -2.917 216 HE1 MET 28 HE1 MET 28 -2.218 -10.700 -5.453 217 HE2 MET 28 HE2 MET 28 -2.822 -12.274 -4.935 218 HE3 MET 28 HE3 MET 28 -1.188 -11.772 -4.504 219 H ASN 29 H ASN 29 -4.445 -9.665 -0.091 220 HA ASN 29 HA ASN 29 -5.379 -9.756 1.978 221 HB2 ASN 29 HB2 ASN 29 -2.927 -8.101 2.521 222 HB3 ASN 29 HB3 ASN 29 -4.059 -8.496 3.808 223 HD21 ASN 29 HD21 ASN 29 -1.306 -9.264 3.549 224 HD22 ASN 29 HD22 ASN 29 -1.270 -10.994 3.532 225 H LYS 30 H LYS 30 -6.621 -8.078 0.303 226 HA LYS 30 HA LYS 30 -8.304 -6.585 0.266 227 HB2 LYS 30 HB2 LYS 30 -7.740 -6.172 3.202 228 HB3 LYS 30 HB3 LYS 30 -9.146 -5.570 2.336 229 HG2 LYS 30 HG2 LYS 30 -8.430 -8.472 2.701 230 HG3 LYS 30 HG3 LYS 30 -9.651 -7.590 3.617 231 HD2 LYS 30 HD2 LYS 30 -10.954 -7.229 1.618 232 HD3 LYS 30 HD3 LYS 30 -9.694 -7.961 0.623 233 HE2 LYS 30 HE2 LYS 30 -11.212 -9.394 2.796 234 HE3 LYS 30 HE3 LYS 30 -11.612 -9.471 1.082 235 HZ1 LYS 30 HZ1 LYS 30 -9.083 -10.355 2.276 236 HZ2 LYS 30 HZ2 LYS 30 -9.446 -10.426 0.695 237 HZ3 LYS 30 HZ3 LYS 30 -10.277 -11.331 1.759 238 H LYS 31 H LYS 31 -5.315 -5.505 1.812 239 HA LYS 31 HA LYS 31 -5.806 -2.857 0.628 240 HB2 LYS 31 HB2 LYS 31 -4.010 -3.685 2.903 241 HB3 LYS 31 HB3 LYS 31 -3.805 -2.153 2.072 242 HG2 LYS 31 HG2 LYS 31 -5.059 -1.754 4.049 243 HG3 LYS 31 HG3 LYS 31 -6.151 -1.582 2.675 244 HD2 LYS 31 HD2 LYS 31 -7.263 -2.811 4.430 245 HD3 LYS 31 HD3 LYS 31 -6.952 -3.886 3.064 246 HE2 LYS 31 HE2 LYS 31 -5.027 -4.824 4.199 247 HE3 LYS 31 HE3 LYS 31 -5.230 -3.697 5.537 248 HZ1 LYS 31 HZ1 LYS 31 -7.371 -4.745 5.956 249 HZ2 LYS 31 HZ2 LYS 31 -6.148 -5.806 6.094 250 HZ3 LYS 31 HZ3 LYS 31 -7.091 -5.826 4.774 251 H CYS 32 H CYS 32 -2.590 -3.441 1.456 252 HA CYS 32 HA CYS 32 -1.827 -4.453 -1.143 253 HB2 CYS 32 HB2 CYS 32 -1.209 -1.647 -0.231 254 HB3 CYS 32 HB3 CYS 32 -0.239 -2.477 -1.442 255 H LYS 33 H LYS 33 0.294 -5.196 -1.229 256 HA LYS 33 HA LYS 33 1.768 -5.184 1.332 257 HB2 LYS 33 HB2 LYS 33 1.824 -7.388 -0.709 258 HB3 LYS 33 HB3 LYS 33 2.503 -7.411 0.916 259 HG2 LYS 33 HG2 LYS 33 0.232 -7.315 1.836 260 HG3 LYS 33 HG3 LYS 33 -0.408 -7.354 0.187 261 HD2 LYS 33 HD2 LYS 33 -0.490 -9.587 1.046 262 HD3 LYS 33 HD3 LYS 33 0.808 -9.504 -0.146 263 HE2 LYS 33 HE2 LYS 33 2.424 -9.207 1.713 264 HE3 LYS 33 HE3 LYS 33 1.103 -9.450 2.852 265 HZ1 LYS 33 HZ1 LYS 33 2.034 -11.408 0.877 266 HZ2 LYS 33 HZ2 LYS 33 0.793 -11.637 1.899 267 HZ3 LYS 33 HZ3 LYS 33 2.301 -11.475 2.481 268 H CYS 34 H CYS 34 3.898 -4.744 1.211 269 HA CYS 34 HA CYS 34 5.254 -4.886 -1.358 270 HB2 CYS 34 HB2 CYS 34 5.141 -2.342 0.272 271 HB3 CYS 34 HB3 CYS 34 6.205 -2.608 -1.108 Start of MODEL 3 1 H1 GLN 1 H1 GLN 1 -12.574 9.869 4.204 2 H2 GLN 1 H2 GLN 1 -13.539 8.739 4.863 3 H3 GLN 1 H3 GLN 1 -13.788 9.221 3.334 4 HA GLN 1 HA GLN 1 -11.731 8.297 2.613 5 HB2 GLN 1 HB2 GLN 1 -11.534 7.525 5.528 6 HB3 GLN 1 HB3 GLN 1 -10.534 6.815 4.270 7 HG2 GLN 1 HG2 GLN 1 -10.632 9.740 4.963 8 HG3 GLN 1 HG3 GLN 1 -9.392 8.608 5.495 9 HE21 GLN 1 HE21 GLN 1 -9.262 7.177 2.991 10 HE22 GLN 1 HE22 GLN 1 -8.491 8.227 1.853 11 H MET 2 H MET 2 -11.298 5.674 2.875 12 HA MET 2 HA MET 2 -13.964 4.437 2.864 13 HB2 MET 2 HB2 MET 2 -11.734 4.022 0.870 14 HB3 MET 2 HB3 MET 2 -13.216 3.080 0.929 15 HG2 MET 2 HG2 MET 2 -13.025 6.037 0.397 16 HG3 MET 2 HG3 MET 2 -13.274 4.783 -0.815 17 HE1 MET 2 HE1 MET 2 -15.409 6.058 -1.724 18 HE2 MET 2 HE2 MET 2 -15.153 7.325 -0.525 19 HE3 MET 2 HE3 MET 2 -16.743 6.585 -0.698 20 H ASP 3 H ASP 3 -13.762 2.021 2.896 21 HA ASP 3 HA ASP 3 -12.177 1.376 5.223 22 HB2 ASP 3 HB2 ASP 3 -14.527 0.653 5.037 23 HB3 ASP 3 HB3 ASP 3 -14.101 -0.333 3.642 24 H MET 4 H MET 4 -10.705 -0.312 5.391 25 HA MET 4 HA MET 4 -8.956 -0.610 3.157 26 HB2 MET 4 HB2 MET 4 -8.871 -1.835 5.918 27 HB3 MET 4 HB3 MET 4 -7.583 -1.960 4.731 28 HG2 MET 4 HG2 MET 4 -6.969 -0.266 6.259 29 HG3 MET 4 HG3 MET 4 -7.430 0.527 4.756 30 HE1 MET 4 HE1 MET 4 -10.123 0.401 8.504 31 HE2 MET 4 HE2 MET 4 -8.572 -0.430 8.371 32 HE3 MET 4 HE3 MET 4 -9.952 -0.976 7.418 33 H ARG 5 H ARG 5 -11.292 -1.658 2.414 34 HA ARG 5 HA ARG 5 -10.832 -4.560 2.371 35 HB2 ARG 5 HB2 ARG 5 -13.171 -4.706 1.538 36 HB3 ARG 5 HB3 ARG 5 -13.053 -3.997 3.142 37 HG2 ARG 5 HG2 ARG 5 -13.224 -1.752 2.079 38 HG3 ARG 5 HG3 ARG 5 -13.514 -2.563 0.540 39 HD2 ARG 5 HD2 ARG 5 -15.614 -1.903 1.569 40 HD3 ARG 5 HD3 ARG 5 -15.484 -3.660 1.490 41 HE ARG 5 HE ARG 5 -14.528 -2.685 3.987 42 HH11 ARG 5 HH11 ARG 5 -17.488 -3.295 2.208 43 HH12 ARG 5 HH12 ARG 5 -18.444 -3.533 3.634 44 HH21 ARG 5 HH21 ARG 5 -15.789 -2.998 5.860 45 HH22 ARG 5 HH22 ARG 5 -17.478 -3.369 5.716 46 H CYS 6 H CYS 6 -9.163 -2.932 0.931 47 HA CYS 6 HA CYS 6 -8.163 -2.810 -1.103 48 HB2 CYS 6 HB2 CYS 6 -8.899 -5.198 -1.329 49 HB3 CYS 6 HB3 CYS 6 -10.370 -4.630 -2.101 50 H SER 7 H SER 7 -10.271 -1.055 -0.165 51 HA SER 7 HA SER 7 -10.694 0.357 -2.653 52 HB2 SER 7 HB2 SER 7 -12.699 -1.186 -2.245 53 HB3 SER 7 HB3 SER 7 -13.071 -0.160 -0.861 54 HG SER 7 HG SER 7 -14.099 0.985 -2.301 55 H ALA 8 H ALA 8 -9.366 0.502 0.153 56 HA ALA 8 HA ALA 8 -10.679 2.603 1.541 57 HB1 ALA 8 HB1 ALA 8 -9.348 1.273 2.894 58 HB2 ALA 8 HB2 ALA 8 -8.441 2.779 2.763 59 HB3 ALA 8 HB3 ALA 8 -7.967 1.376 1.812 60 H SER 9 H SER 9 -9.076 2.668 -1.312 61 HA SER 9 HA SER 9 -8.536 4.281 -2.758 62 HB2 SER 9 HB2 SER 9 -9.314 6.557 -2.454 63 HB3 SER 9 HB3 SER 9 -10.559 5.422 -1.946 64 HG SER 9 HG SER 9 -9.331 5.850 0.233 65 H VAL 10 H VAL 10 -7.114 4.310 0.337 66 HA VAL 10 HA VAL 10 -4.739 5.591 -0.828 67 HB VAL 10 HB VAL 10 -4.203 6.550 1.417 68 HG11 VAL 10 HG11 VAL 10 -5.769 8.441 1.255 69 HG12 VAL 10 HG12 VAL 10 -6.759 7.503 0.139 70 HG13 VAL 10 HG13 VAL 10 -5.121 7.968 -0.315 71 HG21 VAL 10 HG21 VAL 10 -5.589 5.128 2.806 72 HG22 VAL 10 HG22 VAL 10 -7.047 5.763 2.046 73 HG23 VAL 10 HG23 VAL 10 -6.041 6.817 3.038 74 H GLU 11 H GLU 11 -5.592 2.793 -0.439 75 HA GLU 11 HA GLU 11 -4.040 1.803 1.797 76 HB2 GLU 11 HB2 GLU 11 -4.827 -0.352 0.148 77 HB3 GLU 11 HB3 GLU 11 -5.519 0.136 1.688 78 HG2 GLU 11 HG2 GLU 11 -7.337 0.067 0.250 79 HG3 GLU 11 HG3 GLU 11 -6.923 1.776 0.329 80 H CYS 12 H CYS 12 -3.872 1.817 -1.723 81 HA CYS 12 HA CYS 12 -1.446 0.293 -1.781 82 HB2 CYS 12 HB2 CYS 12 -2.757 1.947 -3.943 83 HB3 CYS 12 HB3 CYS 12 -1.380 0.871 -4.178 84 H LYS 13 H LYS 13 -2.008 3.290 -0.681 85 HA LYS 13 HA LYS 13 0.705 4.095 -1.431 86 HB2 LYS 13 HB2 LYS 13 -1.448 5.915 -0.338 87 HB3 LYS 13 HB3 LYS 13 0.104 6.388 -1.016 88 HG2 LYS 13 HG2 LYS 13 -1.942 4.947 -2.658 89 HG3 LYS 13 HG3 LYS 13 -1.985 6.694 -2.454 90 HD2 LYS 13 HD2 LYS 13 0.230 6.891 -3.406 91 HD3 LYS 13 HD3 LYS 13 0.367 5.136 -3.516 92 HE2 LYS 13 HE2 LYS 13 -0.188 6.020 -5.683 93 HE3 LYS 13 HE3 LYS 13 -1.570 5.126 -5.055 94 HZ1 LYS 13 HZ1 LYS 13 -2.527 7.242 -4.407 95 HZ2 LYS 13 HZ2 LYS 13 -2.273 7.181 -6.009 96 HZ3 LYS 13 HZ3 LYS 13 -1.272 8.044 -5.063 97 H GLN 14 H GLN 14 -1.576 3.683 1.217 98 HA GLN 14 HA GLN 14 0.366 4.586 3.174 99 HB2 GLN 14 HB2 GLN 14 -2.531 4.036 3.155 100 HB3 GLN 14 HB3 GLN 14 -1.701 3.727 4.674 101 HG2 GLN 14 HG2 GLN 14 -1.609 6.323 3.157 102 HG3 GLN 14 HG3 GLN 14 -2.661 5.985 4.532 103 HE21 GLN 14 HE21 GLN 14 -1.727 5.645 6.563 104 HE22 GLN 14 HE22 GLN 14 -0.157 6.262 6.949 105 H LYS 15 H LYS 15 -1.311 1.534 2.384 106 HA LYS 15 HA LYS 15 -0.175 0.182 4.627 107 HB2 LYS 15 HB2 LYS 15 -1.875 -0.606 2.335 108 HB3 LYS 15 HB3 LYS 15 -0.916 -1.868 3.090 109 HG2 LYS 15 HG2 LYS 15 -3.198 -1.663 4.022 110 HG3 LYS 15 HG3 LYS 15 -1.926 -1.454 5.224 111 HD2 LYS 15 HD2 LYS 15 -2.184 1.007 4.988 112 HD3 LYS 15 HD3 LYS 15 -3.542 0.721 3.898 113 HE2 LYS 15 HE2 LYS 15 -4.750 -0.423 5.663 114 HE3 LYS 15 HE3 LYS 15 -3.378 -0.234 6.752 115 HZ1 LYS 15 HZ1 LYS 15 -3.696 2.130 6.649 116 HZ2 LYS 15 HZ2 LYS 15 -5.067 1.419 7.146 117 HZ3 LYS 15 HZ3 LYS 15 -4.947 1.971 5.623 118 H CYS 16 H CYS 16 0.877 0.777 1.400 119 HA CYS 16 HA CYS 16 3.078 -1.082 1.576 120 HB2 CYS 16 HB2 CYS 16 1.991 -0.227 -0.591 121 HB3 CYS 16 HB3 CYS 16 2.894 1.260 -0.315 122 H LEU 17 H LEU 17 2.386 2.200 2.406 123 HA LEU 17 HA LEU 17 5.086 3.068 2.678 124 HB2 LEU 17 HB2 LEU 17 2.697 4.328 2.497 125 HB3 LEU 17 HB3 LEU 17 2.957 4.411 4.228 126 HG LEU 17 HG LEU 17 4.968 5.399 2.215 127 HD11 LEU 17 HD11 LEU 17 4.117 7.647 2.759 128 HD12 LEU 17 HD12 LEU 17 2.791 6.903 3.656 129 HD13 LEU 17 HD13 LEU 17 2.933 6.650 1.915 130 HD21 LEU 17 HD21 LEU 17 5.877 6.613 4.116 131 HD22 LEU 17 HD22 LEU 17 5.841 4.882 4.448 132 HD23 LEU 17 HD23 LEU 17 4.627 5.942 5.161 133 H LYS 18 H LYS 18 2.604 1.799 4.806 134 HA LYS 18 HA LYS 18 4.215 1.891 7.163 135 HB2 LYS 18 HB2 LYS 18 1.717 0.323 6.495 136 HB3 LYS 18 HB3 LYS 18 2.455 0.378 8.088 137 HG2 LYS 18 HG2 LYS 18 2.028 2.734 8.268 138 HG3 LYS 18 HG3 LYS 18 1.431 2.787 6.608 139 HD2 LYS 18 HD2 LYS 18 -0.424 1.336 7.202 140 HD3 LYS 18 HD3 LYS 18 0.193 1.192 8.850 141 HE2 LYS 18 HE2 LYS 18 -0.592 3.810 7.583 142 HE3 LYS 18 HE3 LYS 18 -1.693 2.823 8.541 143 HZ1 LYS 18 HZ1 LYS 18 -0.620 4.556 9.828 144 HZ2 LYS 18 HZ2 LYS 18 0.842 3.916 9.529 145 HZ3 LYS 18 HZ3 LYS 18 -0.245 3.082 10.401 146 H ALA 19 H ALA 19 3.834 -0.297 4.500 147 HA ALA 19 HA ALA 19 5.009 -2.576 5.734 148 HB1 ALA 19 HB1 ALA 19 5.169 -3.482 3.485 149 HB2 ALA 19 HB2 ALA 19 4.805 -1.895 2.804 150 HB3 ALA 19 HB3 ALA 19 3.587 -2.752 3.750 151 H ILE 20 H ILE 20 6.412 -0.748 2.991 152 HA ILE 20 HA ILE 20 9.040 -1.064 4.309 153 HB ILE 20 HB ILE 20 10.115 -1.156 2.172 154 HG12 ILE 20 HG12 ILE 20 7.383 -0.702 0.947 155 HG13 ILE 20 HG13 ILE 20 8.685 0.480 1.009 156 HG21 ILE 20 HG21 ILE 20 7.679 -2.934 2.150 157 HG22 ILE 20 HG22 ILE 20 9.200 -3.260 2.982 158 HG23 ILE 20 HG23 ILE 20 9.155 -3.199 1.219 159 HD11 ILE 20 HD11 ILE 20 8.452 -0.584 -1.188 160 HD12 ILE 20 HD12 ILE 20 8.810 -2.148 -0.451 161 HD13 ILE 20 HD13 ILE 20 10.033 -0.877 -0.459 162 H GLY 21 H GLY 21 6.769 1.146 3.027 163 HA2 GLY 21 HA2 GLY 21 7.003 3.510 3.504 164 HA3 GLY 21 HA3 GLY 21 8.735 3.332 3.260 165 H SER 22 H SER 22 5.954 2.266 1.338 166 HA SER 22 HA SER 22 6.965 3.851 -0.922 167 HB2 SER 22 HB2 SER 22 7.611 1.406 -1.043 168 HB3 SER 22 HB3 SER 22 5.900 1.023 -1.115 169 HG SER 22 HG SER 22 7.571 2.012 -3.055 170 H ILE 23 H ILE 23 5.376 4.669 -2.287 171 HA ILE 23 HA ILE 23 2.627 4.329 -1.344 172 HB ILE 23 HB ILE 23 2.069 6.315 -2.661 173 HG12 ILE 23 HG12 ILE 23 5.033 6.454 -3.249 174 HG13 ILE 23 HG13 ILE 23 3.789 6.024 -4.420 175 HG21 ILE 23 HG21 ILE 23 2.718 6.580 -0.342 176 HG22 ILE 23 HG22 ILE 23 3.288 7.950 -1.296 177 HG23 ILE 23 HG23 ILE 23 4.415 6.684 -0.808 178 HD11 ILE 23 HD11 ILE 23 2.797 8.236 -4.161 179 HD12 ILE 23 HD12 ILE 23 4.476 8.322 -4.693 180 HD13 ILE 23 HD13 ILE 23 4.063 8.664 -3.011 181 H PHE 24 H PHE 24 4.186 2.424 -2.982 182 HA PHE 24 HA PHE 24 2.478 2.378 -5.377 183 HB2 PHE 24 HB2 PHE 24 5.313 1.343 -5.171 184 HB3 PHE 24 HB3 PHE 24 4.323 1.441 -6.627 185 HD1 PHE 24 HD1 PHE 24 6.272 3.346 -4.183 186 HD2 PHE 24 HD2 PHE 24 3.964 3.551 -7.748 187 HE1 PHE 24 HE1 PHE 24 7.118 5.610 -4.590 188 HE2 PHE 24 HE2 PHE 24 4.807 5.823 -8.165 189 HZ PHE 24 HZ PHE 24 6.388 6.856 -6.586 190 H GLY 25 H GLY 25 1.450 1.341 -3.277 191 HA2 GLY 25 HA2 GLY 25 2.146 -1.323 -2.618 192 HA3 GLY 25 HA3 GLY 25 0.661 -0.480 -2.196 193 H LYS 26 H LYS 26 0.996 -3.209 -2.939 194 HA LYS 26 HA LYS 26 -0.421 -3.406 -5.516 195 HB2 LYS 26 HB2 LYS 26 0.772 -5.705 -3.972 196 HB3 LYS 26 HB3 LYS 26 0.342 -5.649 -5.678 197 HG2 LYS 26 HG2 LYS 26 2.668 -4.308 -4.332 198 HG3 LYS 26 HG3 LYS 26 2.714 -5.627 -5.500 199 HD2 LYS 26 HD2 LYS 26 1.775 -4.120 -7.202 200 HD3 LYS 26 HD3 LYS 26 1.793 -2.805 -6.025 201 HE2 LYS 26 HE2 LYS 26 4.167 -4.300 -7.137 202 HE3 LYS 26 HE3 LYS 26 3.751 -2.609 -7.406 203 HZ1 LYS 26 HZ1 LYS 26 4.535 -3.774 -4.822 204 HZ2 LYS 26 HZ2 LYS 26 4.155 -2.209 -5.076 205 HZ3 LYS 26 HZ3 LYS 26 5.481 -2.843 -5.772 206 H CYS 27 H CYS 27 -2.498 -4.024 -5.498 207 HA CYS 27 HA CYS 27 -3.958 -4.207 -3.080 208 HB2 CYS 27 HB2 CYS 27 -4.983 -3.430 -5.150 209 HB3 CYS 27 HB3 CYS 27 -4.760 -5.012 -5.885 210 H MET 28 H MET 28 -3.445 -5.812 -1.713 211 HA MET 28 HA MET 28 -4.179 -8.522 -2.422 212 HB2 MET 28 HB2 MET 28 -1.355 -7.735 -1.762 213 HB3 MET 28 HB3 MET 28 -1.958 -9.323 -1.315 214 HG2 MET 28 HG2 MET 28 -1.892 -8.207 -4.109 215 HG3 MET 28 HG3 MET 28 -0.728 -9.342 -3.429 216 HE1 MET 28 HE1 MET 28 -2.664 -11.620 -5.925 217 HE2 MET 28 HE2 MET 28 -1.083 -11.056 -5.384 218 HE3 MET 28 HE3 MET 28 -2.206 -9.931 -6.147 219 H ASN 29 H ASN 29 -4.990 -9.599 -0.718 220 HA ASN 29 HA ASN 29 -5.732 -10.078 1.370 221 HB2 ASN 29 HB2 ASN 29 -3.309 -8.508 2.279 222 HB3 ASN 29 HB3 ASN 29 -4.295 -9.544 3.305 223 HD21 ASN 29 HD21 ASN 29 -1.486 -9.726 2.749 224 HD22 ASN 29 HD22 ASN 29 -1.212 -11.277 2.035 225 H LYS 30 H LYS 30 -6.721 -7.781 0.010 226 HA LYS 30 HA LYS 30 -8.276 -6.174 0.344 227 HB2 LYS 30 HB2 LYS 30 -7.943 -6.800 3.279 228 HB3 LYS 30 HB3 LYS 30 -9.177 -5.744 2.608 229 HG2 LYS 30 HG2 LYS 30 -10.044 -7.650 1.299 230 HG3 LYS 30 HG3 LYS 30 -8.858 -8.690 2.086 231 HD2 LYS 30 HD2 LYS 30 -9.845 -8.093 4.273 232 HD3 LYS 30 HD3 LYS 30 -11.073 -7.149 3.430 233 HE2 LYS 30 HE2 LYS 30 -10.609 -10.117 3.169 234 HE3 LYS 30 HE3 LYS 30 -11.933 -9.343 4.034 235 HZ1 LYS 30 HZ1 LYS 30 -12.680 -8.442 1.941 236 HZ2 LYS 30 HZ2 LYS 30 -12.603 -10.065 1.852 237 HZ3 LYS 30 HZ3 LYS 30 -11.456 -9.161 1.144 238 H LYS 31 H LYS 31 -5.167 -6.014 1.585 239 HA LYS 31 HA LYS 31 -5.321 -3.073 1.685 240 HB2 LYS 31 HB2 LYS 31 -3.408 -4.977 3.056 241 HB3 LYS 31 HB3 LYS 31 -3.079 -3.257 2.899 242 HG2 LYS 31 HG2 LYS 31 -3.945 -3.672 5.085 243 HG3 LYS 31 HG3 LYS 31 -5.167 -2.796 4.165 244 HD2 LYS 31 HD2 LYS 31 -6.474 -4.744 3.866 245 HD3 LYS 31 HD3 LYS 31 -5.173 -5.793 4.435 246 HE2 LYS 31 HE2 LYS 31 -6.555 -3.729 6.145 247 HE3 LYS 31 HE3 LYS 31 -7.020 -5.429 6.080 248 HZ1 LYS 31 HZ1 LYS 31 -4.415 -4.390 6.954 249 HZ2 LYS 31 HZ2 LYS 31 -4.787 -5.968 6.840 250 HZ3 LYS 31 HZ3 LYS 31 -5.564 -5.031 7.915 251 H CYS 32 H CYS 32 -2.446 -2.818 1.441 252 HA CYS 32 HA CYS 32 -1.942 -4.024 -1.164 253 HB2 CYS 32 HB2 CYS 32 -1.770 -1.104 -0.481 254 HB3 CYS 32 HB3 CYS 32 -0.964 -1.804 -1.884 255 H LYS 33 H LYS 33 -0.096 -5.010 -1.203 256 HA LYS 33 HA LYS 33 1.878 -4.509 0.899 257 HB2 LYS 33 HB2 LYS 33 1.978 -6.683 -1.187 258 HB3 LYS 33 HB3 LYS 33 2.749 -6.652 0.392 259 HG2 LYS 33 HG2 LYS 33 0.638 -6.941 1.490 260 HG3 LYS 33 HG3 LYS 33 -0.220 -6.782 -0.045 261 HD2 LYS 33 HD2 LYS 33 -0.028 -9.129 0.676 262 HD3 LYS 33 HD3 LYS 33 0.786 -8.829 -0.859 263 HE2 LYS 33 HE2 LYS 33 2.933 -8.685 0.330 264 HE3 LYS 33 HE3 LYS 33 2.105 -9.025 1.845 265 HZ1 LYS 33 HZ1 LYS 33 2.200 -10.837 -0.458 266 HZ2 LYS 33 HZ2 LYS 33 1.480 -11.150 0.966 267 HZ3 LYS 33 HZ3 LYS 33 3.094 -10.991 0.894 268 H CYS 34 H CYS 34 4.162 -4.354 0.305 269 HA CYS 34 HA CYS 34 4.586 -2.941 -2.174 270 HB2 CYS 34 HB2 CYS 34 6.593 -3.832 -0.100 271 HB3 CYS 34 HB3 CYS 34 6.861 -2.650 -1.385 Start of MODEL 4 1 H1 GLN 1 H1 GLN 1 -15.125 6.702 4.418 2 H2 GLN 1 H2 GLN 1 -14.493 6.220 3.002 3 H3 GLN 1 H3 GLN 1 -14.021 5.508 4.384 4 HA GLN 1 HA GLN 1 -16.139 4.570 4.750 5 HB2 GLN 1 HB2 GLN 1 -17.855 4.730 2.969 6 HB3 GLN 1 HB3 GLN 1 -17.551 6.256 3.784 7 HG2 GLN 1 HG2 GLN 1 -16.285 5.528 1.158 8 HG3 GLN 1 HG3 GLN 1 -17.844 6.340 1.276 9 HE21 GLN 1 HE21 GLN 1 -15.236 7.196 0.159 10 HE22 GLN 1 HE22 GLN 1 -14.888 8.701 0.943 11 H MET 2 H MET 2 -13.714 4.609 2.454 12 HA MET 2 HA MET 2 -14.570 2.163 1.156 13 HB2 MET 2 HB2 MET 2 -12.246 4.037 0.815 14 HB3 MET 2 HB3 MET 2 -12.224 2.437 0.091 15 HG2 MET 2 HG2 MET 2 -12.903 4.003 -1.554 16 HG3 MET 2 HG3 MET 2 -14.302 3.017 -1.123 17 HE1 MET 2 HE1 MET 2 -15.838 4.778 -2.362 18 HE2 MET 2 HE2 MET 2 -14.445 5.790 -2.739 19 HE3 MET 2 HE3 MET 2 -15.869 6.499 -1.979 20 H ASP 3 H ASP 3 -14.105 0.257 2.017 21 HA ASP 3 HA ASP 3 -12.688 -0.013 4.434 22 HB2 ASP 3 HB2 ASP 3 -14.478 -1.566 3.559 23 HB3 ASP 3 HB3 ASP 3 -13.267 -2.235 2.471 24 H MET 4 H MET 4 -10.723 -1.018 4.889 25 HA MET 4 HA MET 4 -8.560 -0.224 3.326 26 HB2 MET 4 HB2 MET 4 -7.195 -1.460 4.926 27 HB3 MET 4 HB3 MET 4 -8.442 -0.531 5.750 28 HG2 MET 4 HG2 MET 4 -9.787 -2.525 6.020 29 HG3 MET 4 HG3 MET 4 -8.600 -3.465 5.123 30 HE1 MET 4 HE1 MET 4 -8.182 -4.844 8.750 31 HE2 MET 4 HE2 MET 4 -8.467 -5.251 7.060 32 HE3 MET 4 HE3 MET 4 -9.680 -4.347 7.966 33 H ARG 5 H ARG 5 -10.583 -2.893 2.908 34 HA ARG 5 HA ARG 5 -8.703 -4.761 1.887 35 HB2 ARG 5 HB2 ARG 5 -11.685 -4.494 1.724 36 HB3 ARG 5 HB3 ARG 5 -10.832 -5.740 0.826 37 HG2 ARG 5 HG2 ARG 5 -9.953 -6.672 2.845 38 HG3 ARG 5 HG3 ARG 5 -10.647 -5.357 3.795 39 HD2 ARG 5 HD2 ARG 5 -12.049 -7.308 4.003 40 HD3 ARG 5 HD3 ARG 5 -12.900 -6.079 3.069 41 HE ARG 5 HE ARG 5 -11.458 -7.968 1.450 42 HH11 ARG 5 HH11 ARG 5 -14.480 -7.299 3.082 43 HH12 ARG 5 HH12 ARG 5 -15.395 -8.408 2.113 44 HH21 ARG 5 HH21 ARG 5 -12.650 -9.428 0.171 45 HH22 ARG 5 HH22 ARG 5 -14.354 -9.618 0.444 46 H CYS 6 H CYS 6 -7.637 -2.946 0.646 47 HA CYS 6 HA CYS 6 -7.013 -2.020 -1.307 48 HB2 CYS 6 HB2 CYS 6 -6.914 -4.462 -1.824 49 HB3 CYS 6 HB3 CYS 6 -8.531 -4.342 -2.502 50 H SER 7 H SER 7 -9.338 -0.931 -0.190 51 HA SER 7 HA SER 7 -10.694 0.009 -2.611 52 HB2 SER 7 HB2 SER 7 -12.149 -1.639 -1.499 53 HB3 SER 7 HB3 SER 7 -12.061 -0.712 -0.006 54 HG SER 7 HG SER 7 -13.222 0.076 -2.472 55 H ALA 8 H ALA 8 -9.350 0.659 0.494 56 HA ALA 8 HA ALA 8 -10.787 2.905 1.334 57 HB1 ALA 8 HB1 ALA 8 -8.972 3.309 2.879 58 HB2 ALA 8 HB2 ALA 8 -7.914 2.238 1.963 59 HB3 ALA 8 HB3 ALA 8 -9.330 1.585 2.783 60 H SER 9 H SER 9 -8.790 2.777 -1.355 61 HA SER 9 HA SER 9 -8.330 4.361 -2.899 62 HB2 SER 9 HB2 SER 9 -10.421 5.481 -2.071 63 HB3 SER 9 HB3 SER 9 -9.417 6.418 -0.964 64 HG SER 9 HG SER 9 -8.239 7.079 -2.935 65 H VAL 10 H VAL 10 -7.230 4.751 0.360 66 HA VAL 10 HA VAL 10 -4.744 5.956 -0.676 67 HB VAL 10 HB VAL 10 -4.324 6.796 1.611 68 HG11 VAL 10 HG11 VAL 10 -5.980 8.593 1.586 69 HG12 VAL 10 HG12 VAL 10 -6.968 7.668 0.455 70 HG13 VAL 10 HG13 VAL 10 -5.377 8.250 -0.035 71 HG21 VAL 10 HG21 VAL 10 -6.141 6.794 3.266 72 HG22 VAL 10 HG22 VAL 10 -5.611 5.159 2.874 73 HG23 VAL 10 HG23 VAL 10 -7.110 5.787 2.189 74 H GLU 11 H GLU 11 -5.851 3.103 -0.195 75 HA GLU 11 HA GLU 11 -4.205 2.028 1.886 76 HB2 GLU 11 HB2 GLU 11 -5.007 -0.147 0.395 77 HB3 GLU 11 HB3 GLU 11 -5.848 0.513 1.787 78 HG2 GLU 11 HG2 GLU 11 -7.422 0.201 0.037 79 HG3 GLU 11 HG3 GLU 11 -7.168 1.927 0.259 80 H CYS 12 H CYS 12 -4.097 2.159 -1.618 81 HA CYS 12 HA CYS 12 -1.753 0.508 -1.769 82 HB2 CYS 12 HB2 CYS 12 -3.117 2.230 -3.840 83 HB3 CYS 12 HB3 CYS 12 -1.754 1.165 -4.172 84 H LYS 13 H LYS 13 -1.830 3.142 -0.247 85 HA LYS 13 HA LYS 13 0.827 3.924 -1.173 86 HB2 LYS 13 HB2 LYS 13 -1.184 5.946 -0.153 87 HB3 LYS 13 HB3 LYS 13 0.398 6.271 -0.838 88 HG2 LYS 13 HG2 LYS 13 -1.821 5.036 -2.434 89 HG3 LYS 13 HG3 LYS 13 -1.612 6.780 -2.285 90 HD2 LYS 13 HD2 LYS 13 0.684 6.532 -3.183 91 HD3 LYS 13 HD3 LYS 13 0.374 4.811 -3.418 92 HE2 LYS 13 HE2 LYS 13 -1.163 7.071 -4.692 93 HE3 LYS 13 HE3 LYS 13 0.067 6.090 -5.485 94 HZ1 LYS 13 HZ1 LYS 13 -1.340 4.184 -5.171 95 HZ2 LYS 13 HZ2 LYS 13 -2.149 5.330 -5.989 96 HZ3 LYS 13 HZ3 LYS 13 -2.471 5.079 -4.418 97 H GLN 14 H GLN 14 -1.549 4.500 1.422 98 HA GLN 14 HA GLN 14 0.493 5.081 3.342 99 HB2 GLN 14 HB2 GLN 14 -2.457 4.526 3.732 100 HB3 GLN 14 HB3 GLN 14 -1.380 5.197 4.947 101 HG2 GLN 14 HG2 GLN 14 -2.091 6.487 2.322 102 HG3 GLN 14 HG3 GLN 14 -2.762 6.910 3.896 103 HE21 GLN 14 HE21 GLN 14 0.001 7.063 1.824 104 HE22 GLN 14 HE22 GLN 14 0.887 8.233 2.738 105 H LYS 15 H LYS 15 -1.545 2.283 2.639 106 HA LYS 15 HA LYS 15 -0.786 0.862 4.981 107 HB2 LYS 15 HB2 LYS 15 -2.061 -0.053 2.410 108 HB3 LYS 15 HB3 LYS 15 -1.744 -1.124 3.768 109 HG2 LYS 15 HG2 LYS 15 -3.517 1.314 3.803 110 HG3 LYS 15 HG3 LYS 15 -4.053 -0.367 3.773 111 HD2 LYS 15 HD2 LYS 15 -2.971 -0.744 5.941 112 HD3 LYS 15 HD3 LYS 15 -2.446 0.939 5.971 113 HE2 LYS 15 HE2 LYS 15 -4.814 1.640 5.900 114 HE3 LYS 15 HE3 LYS 15 -5.290 -0.057 5.978 115 HZ1 LYS 15 HZ1 LYS 15 -4.206 -0.197 8.107 116 HZ2 LYS 15 HZ2 LYS 15 -5.325 0.982 8.138 117 HZ3 LYS 15 HZ3 LYS 15 -3.750 1.365 8.032 118 H CYS 16 H CYS 16 0.369 0.847 1.626 119 HA CYS 16 HA CYS 16 2.302 -1.177 2.206 120 HB2 CYS 16 HB2 CYS 16 3.073 -0.841 -0.038 121 HB3 CYS 16 HB3 CYS 16 1.317 -0.877 -0.045 122 H LEU 17 H LEU 17 2.084 2.179 2.646 123 HA LEU 17 HA LEU 17 4.876 2.725 2.686 124 HB2 LEU 17 HB2 LEU 17 2.844 4.364 2.533 125 HB3 LEU 17 HB3 LEU 17 2.846 4.261 4.281 126 HG LEU 17 HG LEU 17 5.295 5.079 2.744 127 HD11 LEU 17 HD11 LEU 17 3.513 6.584 2.090 128 HD12 LEU 17 HD12 LEU 17 4.653 7.405 3.157 129 HD13 LEU 17 HD13 LEU 17 3.098 6.858 3.783 130 HD21 LEU 17 HD21 LEU 17 5.905 6.148 4.854 131 HD22 LEU 17 HD22 LEU 17 5.622 4.423 5.078 132 HD23 LEU 17 HD23 LEU 17 4.399 5.589 5.580 133 H LYS 18 H LYS 18 2.429 1.883 5.092 134 HA LYS 18 HA LYS 18 4.260 1.732 7.269 135 HB2 LYS 18 HB2 LYS 18 1.515 0.542 6.858 136 HB3 LYS 18 HB3 LYS 18 2.419 0.404 8.362 137 HG2 LYS 18 HG2 LYS 18 2.429 2.821 8.599 138 HG3 LYS 18 HG3 LYS 18 1.567 2.984 7.068 139 HD2 LYS 18 HD2 LYS 18 -0.354 1.848 7.975 140 HD3 LYS 18 HD3 LYS 18 0.513 1.502 9.473 141 HE2 LYS 18 HE2 LYS 18 -1.025 3.388 9.734 142 HE3 LYS 18 HE3 LYS 18 0.653 3.876 9.964 143 HZ1 LYS 18 HZ1 LYS 18 -0.931 4.300 7.532 144 HZ2 LYS 18 HZ2 LYS 18 0.628 4.721 7.708 145 HZ3 LYS 18 HZ3 LYS 18 -0.513 5.447 8.607 146 H ALA 19 H ALA 19 3.332 -0.398 4.702 147 HA ALA 19 HA ALA 19 4.346 -2.797 5.821 148 HB1 ALA 19 HB1 ALA 19 4.225 -3.702 3.580 149 HB2 ALA 19 HB2 ALA 19 4.051 -2.082 2.907 150 HB3 ALA 19 HB3 ALA 19 2.777 -2.756 3.924 151 H ILE 20 H ILE 20 5.758 -0.809 3.176 152 HA ILE 20 HA ILE 20 8.412 -1.605 4.178 153 HB ILE 20 HB ILE 20 9.189 -1.954 1.871 154 HG12 ILE 20 HG12 ILE 20 6.259 -1.765 1.134 155 HG13 ILE 20 HG13 ILE 20 7.478 -0.553 0.743 156 HG21 ILE 20 HG21 ILE 20 6.863 -3.680 2.706 157 HG22 ILE 20 HG22 ILE 20 8.545 -3.868 3.206 158 HG23 ILE 20 HG23 ILE 20 8.089 -4.129 1.522 159 HD11 ILE 20 HD11 ILE 20 7.293 -3.369 -0.284 160 HD12 ILE 20 HD12 ILE 20 8.689 -2.322 -0.534 161 HD13 ILE 20 HD13 ILE 20 7.120 -1.868 -1.191 162 H GLY 21 H GLY 21 6.556 0.962 3.712 163 HA2 GLY 21 HA2 GLY 21 7.104 3.210 3.664 164 HA3 GLY 21 HA3 GLY 21 8.788 2.753 3.455 165 H SER 22 H SER 22 5.964 2.003 1.468 166 HA SER 22 HA SER 22 7.177 3.500 -0.751 167 HB2 SER 22 HB2 SER 22 6.051 0.693 -0.786 168 HB3 SER 22 HB3 SER 22 6.465 1.600 -2.235 169 HG SER 22 HG SER 22 8.594 1.800 -0.831 170 H ILE 23 H ILE 23 5.504 3.726 -2.596 171 HA ILE 23 HA ILE 23 2.813 4.147 -1.495 172 HB ILE 23 HB ILE 23 2.753 6.362 -2.686 173 HG12 ILE 23 HG12 ILE 23 5.757 6.011 -2.673 174 HG13 ILE 23 HG13 ILE 23 4.743 5.922 -4.109 175 HG21 ILE 23 HG21 ILE 23 3.904 7.555 -0.878 176 HG22 ILE 23 HG22 ILE 23 4.697 6.052 -0.406 177 HG23 ILE 23 HG23 ILE 23 2.945 6.206 -0.268 178 HD11 ILE 23 HD11 ILE 23 5.852 8.071 -3.899 179 HD12 ILE 23 HD12 ILE 23 5.062 8.326 -2.342 180 HD13 ILE 23 HD13 ILE 23 4.099 8.230 -3.815 181 H PHE 24 H PHE 24 3.516 2.069 -3.156 182 HA PHE 24 HA PHE 24 2.062 2.693 -5.613 183 HB2 PHE 24 HB2 PHE 24 4.680 1.166 -5.609 184 HB3 PHE 24 HB3 PHE 24 3.716 1.609 -7.014 185 HD1 PHE 24 HD1 PHE 24 3.786 3.832 -7.916 186 HD2 PHE 24 HD2 PHE 24 5.982 2.847 -4.411 187 HE1 PHE 24 HE1 PHE 24 5.043 5.931 -8.115 188 HE2 PHE 24 HE2 PHE 24 7.250 4.927 -4.605 189 HZ PHE 24 HZ PHE 24 6.786 6.483 -6.465 190 H GLY 25 H GLY 25 0.953 1.533 -3.548 191 HA2 GLY 25 HA2 GLY 25 1.555 -1.099 -2.898 192 HA3 GLY 25 HA3 GLY 25 0.041 -0.283 -2.565 193 H LYS 26 H LYS 26 1.055 -2.995 -3.568 194 HA LYS 26 HA LYS 26 -0.827 -3.370 -5.798 195 HB2 LYS 26 HB2 LYS 26 1.239 -5.248 -4.601 196 HB3 LYS 26 HB3 LYS 26 0.270 -5.564 -6.041 197 HG2 LYS 26 HG2 LYS 26 2.308 -3.364 -5.757 198 HG3 LYS 26 HG3 LYS 26 2.575 -4.907 -6.566 199 HD2 LYS 26 HD2 LYS 26 0.445 -2.934 -7.371 200 HD3 LYS 26 HD3 LYS 26 2.055 -2.992 -8.090 201 HE2 LYS 26 HE2 LYS 26 1.628 -5.340 -8.744 202 HE3 LYS 26 HE3 LYS 26 -0.011 -5.187 -8.115 203 HZ1 LYS 26 HZ1 LYS 26 -0.408 -3.474 -9.727 204 HZ2 LYS 26 HZ2 LYS 26 0.083 -4.824 -10.483 205 HZ3 LYS 26 HZ3 LYS 26 1.114 -3.581 -10.298 206 H CYS 27 H CYS 27 -2.680 -4.583 -5.482 207 HA CYS 27 HA CYS 27 -3.829 -4.829 -2.974 208 HB2 CYS 27 HB2 CYS 27 -4.407 -6.450 -5.464 209 HB3 CYS 27 HB3 CYS 27 -5.454 -6.369 -4.052 210 H MET 28 H MET 28 -2.757 -5.817 -1.383 211 HA MET 28 HA MET 28 -2.474 -8.681 -1.359 212 HB2 MET 28 HB2 MET 28 -0.090 -6.880 -1.557 213 HB3 MET 28 HB3 MET 28 0.009 -8.306 -0.532 214 HG2 MET 28 HG2 MET 28 -0.648 -8.301 -3.470 215 HG3 MET 28 HG3 MET 28 0.921 -8.684 -2.771 216 HE1 MET 28 HE1 MET 28 -0.495 -10.618 -4.789 217 HE2 MET 28 HE2 MET 28 -0.291 -12.181 -4.000 218 HE3 MET 28 HE3 MET 28 1.033 -11.015 -4.003 219 H ASN 29 H ASN 29 -2.045 -9.454 0.783 220 HA ASN 29 HA ASN 29 -2.358 -9.449 3.033 221 HB2 ASN 29 HB2 ASN 29 -1.141 -6.679 2.865 222 HB3 ASN 29 HB3 ASN 29 -1.311 -7.639 4.331 223 HD21 ASN 29 HD21 ASN 29 -0.044 -9.510 4.569 224 HD22 ASN 29 HD22 ASN 29 1.422 -9.718 3.682 225 H LYS 30 H LYS 30 -4.472 -8.703 1.385 226 HA LYS 30 HA LYS 30 -6.634 -8.105 1.576 227 HB2 LYS 30 HB2 LYS 30 -5.851 -7.119 4.316 228 HB3 LYS 30 HB3 LYS 30 -7.495 -7.091 3.693 229 HG2 LYS 30 HG2 LYS 30 -7.463 -9.513 3.464 230 HG3 LYS 30 HG3 LYS 30 -5.802 -9.551 4.056 231 HD2 LYS 30 HD2 LYS 30 -6.531 -8.631 6.192 232 HD3 LYS 30 HD3 LYS 30 -8.193 -8.553 5.599 233 HE2 LYS 30 HE2 LYS 30 -7.825 -10.523 7.005 234 HE3 LYS 30 HE3 LYS 30 -8.242 -10.969 5.351 235 HZ1 LYS 30 HZ1 LYS 30 -6.410 -12.269 6.220 236 HZ2 LYS 30 HZ2 LYS 30 -5.517 -10.931 6.441 237 HZ3 LYS 30 HZ3 LYS 30 -5.930 -11.390 4.937 238 H LYS 31 H LYS 31 -4.194 -5.670 2.287 239 HA LYS 31 HA LYS 31 -5.988 -3.753 0.977 240 HB2 LYS 31 HB2 LYS 31 -3.896 -2.244 2.116 241 HB3 LYS 31 HB3 LYS 31 -5.587 -2.248 2.558 242 HG2 LYS 31 HG2 LYS 31 -3.492 -4.040 3.764 243 HG3 LYS 31 HG3 LYS 31 -4.081 -2.533 4.464 244 HD2 LYS 31 HD2 LYS 31 -6.349 -3.495 4.551 245 HD3 LYS 31 HD3 LYS 31 -5.700 -5.020 3.946 246 HE2 LYS 31 HE2 LYS 31 -5.050 -3.648 6.548 247 HE3 LYS 31 HE3 LYS 31 -5.881 -5.187 6.326 248 HZ1 LYS 31 HZ1 LYS 31 -3.641 -5.591 6.923 249 HZ2 LYS 31 HZ2 LYS 31 -3.060 -4.627 5.753 250 HZ3 LYS 31 HZ3 LYS 31 -3.800 -6.022 5.358 251 H CYS 32 H CYS 32 -2.652 -2.888 1.346 252 HA CYS 32 HA CYS 32 -2.033 -3.862 -1.309 253 HB2 CYS 32 HB2 CYS 32 -2.174 -0.955 -0.569 254 HB3 CYS 32 HB3 CYS 32 -1.256 -1.539 -1.952 255 H LYS 33 H LYS 33 -0.052 -4.476 -1.483 256 HA LYS 33 HA LYS 33 2.039 -3.378 0.286 257 HB2 LYS 33 HB2 LYS 33 1.913 -5.651 0.859 258 HB3 LYS 33 HB3 LYS 33 1.541 -6.140 -0.788 259 HG2 LYS 33 HG2 LYS 33 3.913 -5.284 -1.325 260 HG3 LYS 33 HG3 LYS 33 4.180 -5.436 0.417 261 HD2 LYS 33 HD2 LYS 33 4.868 -7.500 -0.410 262 HD3 LYS 33 HD3 LYS 33 3.209 -7.814 0.107 263 HE2 LYS 33 HE2 LYS 33 3.555 -8.801 -2.057 264 HE3 LYS 33 HE3 LYS 33 2.456 -7.434 -2.215 265 HZ1 LYS 33 HZ1 LYS 33 4.140 -7.463 -3.934 266 HZ2 LYS 33 HZ2 LYS 33 5.324 -7.356 -2.830 267 HZ3 LYS 33 HZ3 LYS 33 4.284 -6.119 -3.024 268 H CYS 34 H CYS 34 3.701 -2.362 -0.811 269 HA CYS 34 HA CYS 34 3.509 -2.208 -3.678 270 HB2 CYS 34 HB2 CYS 34 5.629 -1.059 -1.854 271 HB3 CYS 34 HB3 CYS 34 5.366 -0.629 -3.538 Start of MODEL 5 1 H1 GLN 1 H1 GLN 1 -14.214 9.253 3.580 2 H2 GLN 1 H2 GLN 1 -15.391 8.179 3.883 3 H3 GLN 1 H3 GLN 1 -15.064 8.606 2.352 4 HA GLN 1 HA GLN 1 -12.904 7.613 2.461 5 HB2 GLN 1 HB2 GLN 1 -13.837 6.979 5.257 6 HB3 GLN 1 HB3 GLN 1 -12.562 6.062 4.469 7 HG2 GLN 1 HG2 GLN 1 -12.515 9.019 5.019 8 HG3 GLN 1 HG3 GLN 1 -11.666 7.780 5.942 9 HE21 GLN 1 HE21 GLN 1 -9.905 6.726 5.012 10 HE22 GLN 1 HE22 GLN 1 -9.062 7.392 3.657 11 H MET 2 H MET 2 -12.901 5.833 1.267 12 HA MET 2 HA MET 2 -15.210 4.064 1.225 13 HB2 MET 2 HB2 MET 2 -12.659 3.565 -0.278 14 HB3 MET 2 HB3 MET 2 -14.295 3.131 -0.717 15 HG2 MET 2 HG2 MET 2 -13.264 5.951 -0.664 16 HG3 MET 2 HG3 MET 2 -13.272 4.933 -2.099 17 HE1 MET 2 HE1 MET 2 -17.076 4.381 -2.730 18 HE2 MET 2 HE2 MET 2 -16.041 3.335 -1.762 19 HE3 MET 2 HE3 MET 2 -15.431 4.037 -3.260 20 H ASP 3 H ASP 3 -14.714 1.653 1.259 21 HA ASP 3 HA ASP 3 -13.469 1.106 3.793 22 HB2 ASP 3 HB2 ASP 3 -15.565 -0.018 2.950 23 HB3 ASP 3 HB3 ASP 3 -14.559 -0.891 1.802 24 H MET 4 H MET 4 -11.713 -0.268 4.156 25 HA MET 4 HA MET 4 -9.590 0.057 2.244 26 HB2 MET 4 HB2 MET 4 -9.616 -1.230 4.984 27 HB3 MET 4 HB3 MET 4 -8.177 -0.949 4.016 28 HG2 MET 4 HG2 MET 4 -8.544 1.450 4.134 29 HG3 MET 4 HG3 MET 4 -10.014 1.187 5.071 30 HE1 MET 4 HE1 MET 4 -8.627 -0.290 8.405 31 HE2 MET 4 HE2 MET 4 -9.102 -1.237 6.997 32 HE3 MET 4 HE3 MET 4 -10.059 0.162 7.481 33 H ARG 5 H ARG 5 -11.180 -1.345 0.944 34 HA ARG 5 HA ARG 5 -10.137 -4.103 1.006 35 HB2 ARG 5 HB2 ARG 5 -12.861 -3.100 0.191 36 HB3 ARG 5 HB3 ARG 5 -12.281 -4.718 -0.148 37 HG2 ARG 5 HG2 ARG 5 -12.016 -5.131 2.226 38 HG3 ARG 5 HG3 ARG 5 -12.608 -3.506 2.568 39 HD2 ARG 5 HD2 ARG 5 -14.390 -5.142 2.847 40 HD3 ARG 5 HD3 ARG 5 -14.737 -4.063 1.499 41 HE ARG 5 HE ARG 5 -13.415 -6.498 0.725 42 HH11 ARG 5 HH11 ARG 5 -16.506 -4.998 1.375 43 HH12 ARG 5 HH12 ARG 5 -17.393 -6.095 0.370 44 HH21 ARG 5 HH21 ARG 5 -14.582 -7.953 -0.596 45 HH22 ARG 5 HH22 ARG 5 -16.299 -7.783 -0.745 46 H CYS 6 H CYS 6 -8.551 -2.499 -0.214 47 HA CYS 6 HA CYS 6 -7.673 -1.624 -2.086 48 HB2 CYS 6 HB2 CYS 6 -7.675 -4.037 -2.714 49 HB3 CYS 6 HB3 CYS 6 -9.246 -3.807 -3.474 50 H SER 7 H SER 7 -9.571 -0.132 -1.186 51 HA SER 7 HA SER 7 -10.882 0.992 -3.486 52 HB2 SER 7 HB2 SER 7 -12.452 -0.809 -2.889 53 HB3 SER 7 HB3 SER 7 -12.563 -0.172 -1.252 54 HG SER 7 HG SER 7 -13.064 1.795 -3.012 55 H ALA 8 H ALA 8 -9.712 1.163 -0.250 56 HA ALA 8 HA ALA 8 -11.176 3.456 0.622 57 HB1 ALA 8 HB1 ALA 8 -9.499 3.637 2.390 58 HB2 ALA 8 HB2 ALA 8 -8.526 2.407 1.585 59 HB3 ALA 8 HB3 ALA 8 -10.113 1.993 2.233 60 H SER 9 H SER 9 -8.832 3.030 -1.680 61 HA SER 9 HA SER 9 -8.029 4.498 -3.206 62 HB2 SER 9 HB2 SER 9 -10.103 5.846 -2.684 63 HB3 SER 9 HB3 SER 9 -9.156 6.716 -1.476 64 HG SER 9 HG SER 9 -7.844 7.519 -3.084 65 H VAL 10 H VAL 10 -6.965 3.911 -0.274 66 HA VAL 10 HA VAL 10 -4.556 5.550 -0.607 67 HB VAL 10 HB VAL 10 -4.465 6.015 1.826 68 HG11 VAL 10 HG11 VAL 10 -6.142 7.802 1.819 69 HG12 VAL 10 HG12 VAL 10 -6.905 7.070 0.407 70 HG13 VAL 10 HG13 VAL 10 -5.266 7.714 0.289 71 HG21 VAL 10 HG21 VAL 10 -7.298 4.973 1.828 72 HG22 VAL 10 HG22 VAL 10 -6.493 5.775 3.176 73 HG23 VAL 10 HG23 VAL 10 -5.913 4.211 2.608 74 H GLU 11 H GLU 11 -5.831 2.465 -0.001 75 HA GLU 11 HA GLU 11 -3.989 1.548 1.949 76 HB2 GLU 11 HB2 GLU 11 -5.292 -0.244 -0.088 77 HB3 GLU 11 HB3 GLU 11 -4.823 -0.624 1.554 78 HG2 GLU 11 HG2 GLU 11 -7.003 -0.390 1.949 79 HG3 GLU 11 HG3 GLU 11 -6.584 1.324 2.040 80 H CYS 12 H CYS 12 -3.917 1.710 -1.551 81 HA CYS 12 HA CYS 12 -1.478 0.194 -1.751 82 HB2 CYS 12 HB2 CYS 12 -2.836 1.894 -3.839 83 HB3 CYS 12 HB3 CYS 12 -1.535 0.736 -4.117 84 H LYS 13 H LYS 13 -1.889 2.962 -0.333 85 HA LYS 13 HA LYS 13 0.724 3.920 -1.256 86 HB2 LYS 13 HB2 LYS 13 -1.384 5.715 -0.051 87 HB3 LYS 13 HB3 LYS 13 0.097 6.187 -0.872 88 HG2 LYS 13 HG2 LYS 13 -2.169 4.779 -2.253 89 HG3 LYS 13 HG3 LYS 13 -2.022 6.532 -2.163 90 HD2 LYS 13 HD2 LYS 13 0.079 6.461 -3.337 91 HD3 LYS 13 HD3 LYS 13 0.070 4.697 -3.318 92 HE2 LYS 13 HE2 LYS 13 -0.611 5.539 -5.493 93 HE3 LYS 13 HE3 LYS 13 -1.945 4.696 -4.703 94 HZ1 LYS 13 HZ1 LYS 13 -2.891 6.792 -4.136 95 HZ2 LYS 13 HZ2 LYS 13 -2.601 6.788 -5.734 96 HZ3 LYS 13 HZ3 LYS 13 -1.618 7.611 -4.734 97 H GLN 14 H GLN 14 -1.560 3.712 1.443 98 HA GLN 14 HA GLN 14 0.425 4.617 3.328 99 HB2 GLN 14 HB2 GLN 14 -2.406 3.645 3.726 100 HB3 GLN 14 HB3 GLN 14 -1.385 4.295 5.001 101 HG2 GLN 14 HG2 GLN 14 -2.286 5.778 2.541 102 HG3 GLN 14 HG3 GLN 14 -2.956 5.956 4.162 103 HE21 GLN 14 HE21 GLN 14 -0.307 6.691 2.062 104 HE22 GLN 14 HE22 GLN 14 0.479 7.822 3.107 105 H LYS 15 H LYS 15 -1.237 1.503 2.682 106 HA LYS 15 HA LYS 15 -0.038 0.155 4.858 107 HB2 LYS 15 HB2 LYS 15 -1.939 -0.549 3.019 108 HB3 LYS 15 HB3 LYS 15 -0.560 -1.497 2.488 109 HG2 LYS 15 HG2 LYS 15 -1.644 -1.497 5.296 110 HG3 LYS 15 HG3 LYS 15 -2.016 -2.704 4.070 111 HD2 LYS 15 HD2 LYS 15 0.222 -3.471 4.005 112 HD3 LYS 15 HD3 LYS 15 0.800 -2.077 4.918 113 HE2 LYS 15 HE2 LYS 15 0.733 -4.077 6.312 114 HE3 LYS 15 HE3 LYS 15 -0.400 -2.860 6.892 115 HZ1 LYS 15 HZ1 LYS 15 -1.152 -5.159 5.234 116 HZ2 LYS 15 HZ2 LYS 15 -2.167 -4.083 5.913 117 HZ3 LYS 15 HZ3 LYS 15 -1.318 -5.098 6.852 118 H CYS 16 H CYS 16 0.856 0.501 1.484 119 HA CYS 16 HA CYS 16 3.226 -1.016 1.572 120 HB2 CYS 16 HB2 CYS 16 1.997 -0.097 -0.486 121 HB3 CYS 16 HB3 CYS 16 2.834 1.417 -0.163 122 H LEU 17 H LEU 17 2.466 2.225 2.585 123 HA LEU 17 HA LEU 17 5.161 3.106 2.860 124 HB2 LEU 17 HB2 LEU 17 2.791 4.377 2.763 125 HB3 LEU 17 HB3 LEU 17 3.012 4.331 4.501 126 HG LEU 17 HG LEU 17 5.121 5.434 2.664 127 HD11 LEU 17 HD11 LEU 17 4.209 7.658 3.158 128 HD12 LEU 17 HD12 LEU 17 2.823 6.899 3.941 129 HD13 LEU 17 HD13 LEU 17 3.097 6.667 2.214 130 HD21 LEU 17 HD21 LEU 17 5.843 6.617 4.661 131 HD22 LEU 17 HD22 LEU 17 5.795 4.880 4.961 132 HD23 LEU 17 HD23 LEU 17 4.509 5.918 5.576 133 H LYS 18 H LYS 18 2.805 1.530 4.906 134 HA LYS 18 HA LYS 18 4.359 1.588 7.293 135 HB2 LYS 18 HB2 LYS 18 2.166 -0.297 6.407 136 HB3 LYS 18 HB3 LYS 18 2.848 -0.250 8.025 137 HG2 LYS 18 HG2 LYS 18 1.441 2.055 6.697 138 HG3 LYS 18 HG3 LYS 18 0.684 0.922 7.820 139 HD2 LYS 18 HD2 LYS 18 2.269 1.587 9.557 140 HD3 LYS 18 HD3 LYS 18 3.032 2.712 8.436 141 HE2 LYS 18 HE2 LYS 18 0.166 2.821 9.362 142 HE3 LYS 18 HE3 LYS 18 1.474 3.840 9.958 143 HZ1 LYS 18 HZ1 LYS 18 1.704 4.690 7.704 144 HZ2 LYS 18 HZ2 LYS 18 0.223 4.988 8.303 145 HZ3 LYS 18 HZ3 LYS 18 0.429 3.800 7.217 146 H ALA 19 H ALA 19 4.074 -0.580 4.554 147 HA ALA 19 HA ALA 19 5.548 -2.734 5.609 148 HB1 ALA 19 HB1 ALA 19 4.056 -2.926 3.669 149 HB2 ALA 19 HB2 ALA 19 5.672 -3.544 3.329 150 HB3 ALA 19 HB3 ALA 19 5.187 -1.962 2.719 151 H ILE 20 H ILE 20 6.617 -0.410 3.090 152 HA ILE 20 HA ILE 20 9.330 -0.638 4.220 153 HB ILE 20 HB ILE 20 10.299 -0.608 1.967 154 HG12 ILE 20 HG12 ILE 20 7.443 -0.935 1.016 155 HG13 ILE 20 HG13 ILE 20 8.427 0.506 0.782 156 HG21 ILE 20 HG21 ILE 20 8.343 -2.855 2.435 157 HG22 ILE 20 HG22 ILE 20 9.978 -2.736 3.086 158 HG23 ILE 20 HG23 ILE 20 9.731 -2.918 1.349 159 HD11 ILE 20 HD11 ILE 20 8.324 -0.827 -1.232 160 HD12 ILE 20 HD12 ILE 20 8.973 -2.222 -0.367 161 HD13 ILE 20 HD13 ILE 20 9.971 -0.788 -0.601 162 H GLY 21 H GLY 21 6.849 1.412 3.290 163 HA2 GLY 21 HA2 GLY 21 6.929 3.763 3.602 164 HA3 GLY 21 HA3 GLY 21 8.670 3.707 3.362 165 H SER 22 H SER 22 6.039 2.401 1.403 166 HA SER 22 HA SER 22 6.958 4.064 -0.839 167 HB2 SER 22 HB2 SER 22 6.304 1.115 -0.793 168 HB3 SER 22 HB3 SER 22 6.517 2.032 -2.276 169 HG SER 22 HG SER 22 8.635 2.593 -1.492 170 H ILE 23 H ILE 23 5.371 4.709 -2.313 171 HA ILE 23 HA ILE 23 2.625 4.378 -1.338 172 HB ILE 23 HB ILE 23 2.057 6.362 -2.630 173 HG12 ILE 23 HG12 ILE 23 5.000 6.483 -3.331 174 HG13 ILE 23 HG13 ILE 23 3.720 6.029 -4.452 175 HG21 ILE 23 HG21 ILE 23 3.378 7.984 -1.328 176 HG22 ILE 23 HG22 ILE 23 4.484 6.684 -0.881 177 HG23 ILE 23 HG23 ILE 23 2.804 6.634 -0.346 178 HD11 ILE 23 HD11 ILE 23 4.399 8.329 -4.776 179 HD12 ILE 23 HD12 ILE 23 4.017 8.693 -3.093 180 HD13 ILE 23 HD13 ILE 23 2.731 8.240 -4.211 181 H PHE 24 H PHE 24 3.922 2.317 -2.806 182 HA PHE 24 HA PHE 24 2.405 2.363 -5.318 183 HB2 PHE 24 HB2 PHE 24 5.216 1.293 -5.000 184 HB3 PHE 24 HB3 PHE 24 4.288 1.404 -6.496 185 HD1 PHE 24 HD1 PHE 24 6.512 3.104 -4.255 186 HD2 PHE 24 HD2 PHE 24 3.636 3.698 -7.328 187 HE1 PHE 24 HE1 PHE 24 7.397 5.360 -4.638 188 HE2 PHE 24 HE2 PHE 24 4.507 5.958 -7.714 189 HZ PHE 24 HZ PHE 24 6.397 6.796 -6.373 190 H GLY 25 H GLY 25 1.384 1.296 -3.135 191 HA2 GLY 25 HA2 GLY 25 2.043 -1.382 -2.554 192 HA3 GLY 25 HA3 GLY 25 0.551 -0.557 -2.130 193 H LYS 26 H LYS 26 0.859 -3.250 -2.878 194 HA LYS 26 HA LYS 26 -0.580 -3.437 -5.450 195 HB2 LYS 26 HB2 LYS 26 1.007 -5.569 -3.997 196 HB3 LYS 26 HB3 LYS 26 0.273 -5.718 -5.592 197 HG2 LYS 26 HG2 LYS 26 2.500 -3.817 -4.881 198 HG3 LYS 26 HG3 LYS 26 2.701 -5.367 -5.698 199 HD2 LYS 26 HD2 LYS 26 1.425 -4.598 -7.586 200 HD3 LYS 26 HD3 LYS 26 1.017 -3.098 -6.752 201 HE2 LYS 26 HE2 LYS 26 2.798 -2.746 -8.383 202 HE3 LYS 26 HE3 LYS 26 3.369 -2.452 -6.742 203 HZ1 LYS 26 HZ1 LYS 26 4.363 -4.634 -6.777 204 HZ2 LYS 26 HZ2 LYS 26 4.941 -3.735 -7.997 205 HZ3 LYS 26 HZ3 LYS 26 3.846 -4.896 -8.298 206 H CYS 27 H CYS 27 -2.617 -4.231 -5.386 207 HA CYS 27 HA CYS 27 -4.019 -4.449 -2.968 208 HB2 CYS 27 HB2 CYS 27 -4.771 -5.458 -5.718 209 HB3 CYS 27 HB3 CYS 27 -5.871 -5.347 -4.349 210 H MET 28 H MET 28 -3.542 -5.922 -1.508 211 HA MET 28 HA MET 28 -3.852 -8.753 -2.203 212 HB2 MET 28 HB2 MET 28 -1.649 -7.695 -0.420 213 HB3 MET 28 HB3 MET 28 -1.968 -9.381 -0.778 214 HG2 MET 28 HG2 MET 28 -1.135 -7.341 -2.823 215 HG3 MET 28 HG3 MET 28 -0.028 -8.421 -1.981 216 HE1 MET 28 HE1 MET 28 -0.103 -8.212 -5.101 217 HE2 MET 28 HE2 MET 28 -0.081 -9.906 -5.585 218 HE3 MET 28 HE3 MET 28 0.938 -9.360 -4.256 219 H ASN 29 H ASN 29 -5.304 -9.618 -0.879 220 HA ASN 29 HA ASN 29 -6.926 -9.712 0.699 221 HB2 ASN 29 HB2 ASN 29 -6.052 -10.014 3.014 222 HB3 ASN 29 HB3 ASN 29 -5.250 -10.995 1.801 223 HD21 ASN 29 HD21 ASN 29 -3.106 -10.585 1.298 224 HD22 ASN 29 HD22 ASN 29 -2.096 -9.607 2.300 225 H LYS 30 H LYS 30 -7.449 -7.457 -0.190 226 HA LYS 30 HA LYS 30 -8.816 -5.719 0.338 227 HB2 LYS 30 HB2 LYS 30 -8.064 -6.290 3.203 228 HB3 LYS 30 HB3 LYS 30 -9.263 -5.110 2.699 229 HG2 LYS 30 HG2 LYS 30 -10.642 -6.860 1.759 230 HG3 LYS 30 HG3 LYS 30 -9.415 -8.068 2.152 231 HD2 LYS 30 HD2 LYS 30 -9.677 -7.552 4.531 232 HD3 LYS 30 HD3 LYS 30 -10.908 -6.354 4.135 233 HE2 LYS 30 HE2 LYS 30 -12.320 -8.104 3.192 234 HE3 LYS 30 HE3 LYS 30 -11.078 -9.305 3.545 235 HZ1 LYS 30 HZ1 LYS 30 -12.806 -9.252 5.214 236 HZ2 LYS 30 HZ2 LYS 30 -12.480 -7.699 5.560 237 HZ3 LYS 30 HZ3 LYS 30 -11.369 -8.847 5.865 238 H LYS 31 H LYS 31 -5.571 -5.795 1.603 239 HA LYS 31 HA LYS 31 -5.488 -2.866 1.308 240 HB2 LYS 31 HB2 LYS 31 -4.142 -4.653 3.297 241 HB3 LYS 31 HB3 LYS 31 -3.323 -3.181 2.789 242 HG2 LYS 31 HG2 LYS 31 -4.555 -2.783 4.819 243 HG3 LYS 31 HG3 LYS 31 -5.254 -1.858 3.493 244 HD2 LYS 31 HD2 LYS 31 -7.141 -2.692 4.503 245 HD3 LYS 31 HD3 LYS 31 -6.841 -3.916 3.271 246 HE2 LYS 31 HE2 LYS 31 -5.853 -4.146 6.102 247 HE3 LYS 31 HE3 LYS 31 -7.415 -4.764 5.576 248 HZ1 LYS 31 HZ1 LYS 31 -6.207 -6.146 3.986 249 HZ2 LYS 31 HZ2 LYS 31 -5.806 -6.488 5.521 250 HZ3 LYS 31 HZ3 LYS 31 -4.791 -5.626 4.596 251 H CYS 32 H CYS 32 -2.564 -2.854 1.424 252 HA CYS 32 HA CYS 32 -1.961 -4.199 -1.091 253 HB2 CYS 32 HB2 CYS 32 -1.750 -1.256 -0.557 254 HB3 CYS 32 HB3 CYS 32 -0.951 -2.047 -1.912 255 H LYS 33 H LYS 33 0.017 -4.968 -1.247 256 HA LYS 33 HA LYS 33 1.974 -4.284 0.849 257 HB2 LYS 33 HB2 LYS 33 2.170 -6.653 -0.988 258 HB3 LYS 33 HB3 LYS 33 2.880 -6.437 0.607 259 HG2 LYS 33 HG2 LYS 33 0.593 -6.535 1.563 260 HG3 LYS 33 HG3 LYS 33 -0.003 -6.909 -0.056 261 HD2 LYS 33 HD2 LYS 33 0.250 -8.963 1.190 262 HD3 LYS 33 HD3 LYS 33 1.461 -8.905 -0.091 263 HE2 LYS 33 HE2 LYS 33 3.136 -8.160 1.533 264 HE3 LYS 33 HE3 LYS 33 1.922 -8.220 2.809 265 HZ1 LYS 33 HZ1 LYS 33 2.920 -10.503 1.265 266 HZ2 LYS 33 HZ2 LYS 33 1.727 -10.591 2.365 267 HZ3 LYS 33 HZ3 LYS 33 3.231 -10.190 2.832 268 H CYS 34 H CYS 34 4.216 -4.117 0.160 269 HA CYS 34 HA CYS 34 4.492 -2.845 -2.407 270 HB2 CYS 34 HB2 CYS 34 6.687 -3.594 -0.474 271 HB3 CYS 34 HB3 CYS 34 6.731 -2.351 -1.730 Start of MODEL 6 1 H1 GLN 1 H1 GLN 1 -13.256 8.445 4.493 2 H2 GLN 1 H2 GLN 1 -14.096 9.104 3.272 3 H3 GLN 1 H3 GLN 1 -12.703 9.787 3.751 4 HA GLN 1 HA GLN 1 -12.358 8.617 1.719 5 HB2 GLN 1 HB2 GLN 1 -11.097 7.462 4.202 6 HB3 GLN 1 HB3 GLN 1 -10.615 6.952 2.591 7 HG2 GLN 1 HG2 GLN 1 -9.998 9.257 2.051 8 HG3 GLN 1 HG3 GLN 1 -10.466 9.756 3.675 9 HE21 GLN 1 HE21 GLN 1 -8.894 6.711 3.059 10 HE22 GLN 1 HE22 GLN 1 -7.380 7.123 3.785 11 H MET 2 H MET 2 -11.789 6.222 1.063 12 HA MET 2 HA MET 2 -14.257 4.732 1.193 13 HB2 MET 2 HB2 MET 2 -11.641 4.377 -0.251 14 HB3 MET 2 HB3 MET 2 -12.911 3.162 -0.311 15 HG2 MET 2 HG2 MET 2 -13.261 6.023 -1.155 16 HG3 MET 2 HG3 MET 2 -12.825 4.712 -2.251 17 HE1 MET 2 HE1 MET 2 -15.299 6.536 -2.832 18 HE2 MET 2 HE2 MET 2 -16.517 5.341 -3.268 19 HE3 MET 2 HE3 MET 2 -14.857 5.150 -3.828 20 H ASP 3 H ASP 3 -14.149 2.365 1.627 21 HA ASP 3 HA ASP 3 -12.997 1.985 4.236 22 HB2 ASP 3 HB2 ASP 3 -15.247 1.130 3.633 23 HB3 ASP 3 HB3 ASP 3 -14.495 0.020 2.492 24 H MET 4 H MET 4 -11.407 0.552 4.828 25 HA MET 4 HA MET 4 -9.354 0.120 2.891 26 HB2 MET 4 HB2 MET 4 -8.257 -1.070 4.943 27 HB3 MET 4 HB3 MET 4 -8.426 0.676 4.916 28 HG2 MET 4 HG2 MET 4 -9.005 -0.154 7.088 29 HG3 MET 4 HG3 MET 4 -10.446 0.479 6.306 30 HE1 MET 4 HE1 MET 4 -10.717 -1.243 8.875 31 HE2 MET 4 HE2 MET 4 -12.006 -2.355 8.415 32 HE3 MET 4 HE3 MET 4 -12.093 -0.660 7.939 33 H ARG 5 H ARG 5 -11.488 -1.245 2.055 34 HA ARG 5 HA ARG 5 -10.920 -4.071 2.568 35 HB2 ARG 5 HB2 ARG 5 -13.025 -4.469 1.301 36 HB3 ARG 5 HB3 ARG 5 -13.263 -3.486 2.734 37 HG2 ARG 5 HG2 ARG 5 -13.232 -1.475 1.287 38 HG3 ARG 5 HG3 ARG 5 -13.135 -2.541 -0.117 39 HD2 ARG 5 HD2 ARG 5 -15.434 -1.802 0.324 40 HD3 ARG 5 HD3 ARG 5 -15.261 -3.551 0.469 41 HE ARG 5 HE ARG 5 -14.907 -2.309 2.993 42 HH11 ARG 5 HH11 ARG 5 -17.410 -3.074 0.665 43 HH12 ARG 5 HH12 ARG 5 -18.651 -3.243 1.862 44 HH21 ARG 5 HH21 ARG 5 -16.533 -2.510 4.568 45 HH22 ARG 5 HH22 ARG 5 -18.153 -2.911 4.094 46 H CYS 6 H CYS 6 -9.107 -2.438 1.148 47 HA CYS 6 HA CYS 6 -7.661 -2.689 -0.589 48 HB2 CYS 6 HB2 CYS 6 -8.227 -5.128 -0.533 49 HB3 CYS 6 HB3 CYS 6 -9.530 -4.815 -1.670 50 H SER 7 H SER 7 -9.862 -0.934 -0.393 51 HA SER 7 HA SER 7 -9.961 0.029 -3.086 52 HB2 SER 7 HB2 SER 7 -11.822 -1.673 -2.996 53 HB3 SER 7 HB3 SER 7 -12.588 -0.680 -1.757 54 HG SER 7 HG SER 7 -12.676 1.025 -3.273 55 H ALA 8 H ALA 8 -9.243 0.697 -0.156 56 HA ALA 8 HA ALA 8 -10.951 2.913 0.498 57 HB1 ALA 8 HB1 ALA 8 -8.227 2.150 1.522 58 HB2 ALA 8 HB2 ALA 8 -9.787 1.848 2.290 59 HB3 ALA 8 HB3 ALA 8 -9.183 3.496 2.141 60 H SER 9 H SER 9 -8.689 2.416 -1.849 61 HA SER 9 HA SER 9 -7.762 3.735 -3.441 62 HB2 SER 9 HB2 SER 9 -9.955 5.012 -3.195 63 HB3 SER 9 HB3 SER 9 -9.098 6.103 -2.109 64 HG SER 9 HG SER 9 -7.565 5.961 -4.184 65 H VAL 10 H VAL 10 -6.832 3.433 -0.518 66 HA VAL 10 HA VAL 10 -4.650 5.377 -0.700 67 HB VAL 10 HB VAL 10 -6.474 6.244 0.781 68 HG11 VAL 10 HG11 VAL 10 -7.188 4.132 1.753 69 HG12 VAL 10 HG12 VAL 10 -6.739 5.288 3.006 70 HG13 VAL 10 HG13 VAL 10 -5.639 3.978 2.581 71 HG21 VAL 10 HG21 VAL 10 -4.172 7.026 0.987 72 HG22 VAL 10 HG22 VAL 10 -3.833 5.727 2.129 73 HG23 VAL 10 HG23 VAL 10 -4.985 6.992 2.551 74 H GLU 11 H GLU 11 -5.666 2.166 0.050 75 HA GLU 11 HA GLU 11 -3.634 1.490 1.906 76 HB2 GLU 11 HB2 GLU 11 -4.940 -0.434 -0.023 77 HB3 GLU 11 HB3 GLU 11 -4.238 -0.797 1.537 78 HG2 GLU 11 HG2 GLU 11 -6.364 -0.803 2.198 79 HG3 GLU 11 HG3 GLU 11 -6.123 0.944 2.290 80 H CYS 12 H CYS 12 -3.816 1.503 -1.604 81 HA CYS 12 HA CYS 12 -1.289 0.205 -1.956 82 HB2 CYS 12 HB2 CYS 12 -2.840 1.892 -3.926 83 HB3 CYS 12 HB3 CYS 12 -1.503 0.811 -4.308 84 H LYS 13 H LYS 13 -1.802 2.918 -0.456 85 HA LYS 13 HA LYS 13 0.682 4.088 -1.481 86 HB2 LYS 13 HB2 LYS 13 -1.567 5.658 -0.202 87 HB3 LYS 13 HB3 LYS 13 -0.116 6.303 -0.953 88 HG2 LYS 13 HG2 LYS 13 -2.066 4.699 -2.553 89 HG3 LYS 13 HG3 LYS 13 -2.356 6.404 -2.221 90 HD2 LYS 13 HD2 LYS 13 0.163 5.342 -3.484 91 HD3 LYS 13 HD3 LYS 13 -1.220 5.941 -4.399 92 HE2 LYS 13 HE2 LYS 13 0.457 7.508 -2.443 93 HE3 LYS 13 HE3 LYS 13 0.462 7.672 -4.197 94 HZ1 LYS 13 HZ1 LYS 13 -1.882 8.333 -4.000 95 HZ2 LYS 13 HZ2 LYS 13 -0.868 9.372 -3.274 96 HZ3 LYS 13 HZ3 LYS 13 -1.739 8.333 -2.379 97 H GLN 14 H GLN 14 -1.498 3.847 1.312 98 HA GLN 14 HA GLN 14 0.632 4.677 3.095 99 HB2 GLN 14 HB2 GLN 14 -2.274 4.038 3.592 100 HB3 GLN 14 HB3 GLN 14 -1.152 4.551 4.844 101 HG2 GLN 14 HG2 GLN 14 -1.945 6.132 2.412 102 HG3 GLN 14 HG3 GLN 14 -2.488 6.414 4.065 103 HE21 GLN 14 HE21 GLN 14 0.168 5.789 5.137 104 HE22 GLN 14 HE22 GLN 14 1.148 7.174 4.800 105 H LYS 15 H LYS 15 -1.298 1.724 2.541 106 HA LYS 15 HA LYS 15 -0.219 0.345 4.766 107 HB2 LYS 15 HB2 LYS 15 -2.093 -0.244 2.733 108 HB3 LYS 15 HB3 LYS 15 -0.870 -1.505 2.687 109 HG2 LYS 15 HG2 LYS 15 -2.334 -0.649 5.173 110 HG3 LYS 15 HG3 LYS 15 -2.779 -2.025 4.171 111 HD2 LYS 15 HD2 LYS 15 -0.143 -1.671 5.592 112 HD3 LYS 15 HD3 LYS 15 -1.467 -2.707 6.127 113 HE2 LYS 15 HE2 LYS 15 -1.259 -4.027 4.074 114 HE3 LYS 15 HE3 LYS 15 0.066 -2.992 3.543 115 HZ1 LYS 15 HZ1 LYS 15 0.895 -4.980 4.544 116 HZ2 LYS 15 HZ2 LYS 15 0.083 -4.704 5.922 117 HZ3 LYS 15 HZ3 LYS 15 1.292 -3.712 5.484 118 H CYS 16 H CYS 16 0.796 0.693 1.440 119 HA CYS 16 HA CYS 16 2.988 -1.126 1.628 120 HB2 CYS 16 HB2 CYS 16 1.861 -0.233 -0.505 121 HB3 CYS 16 HB3 CYS 16 2.833 1.215 -0.264 122 H LEU 17 H LEU 17 2.441 2.191 2.452 123 HA LEU 17 HA LEU 17 5.176 2.939 2.739 124 HB2 LEU 17 HB2 LEU 17 3.030 4.400 2.446 125 HB3 LEU 17 HB3 LEU 17 2.892 4.248 4.185 126 HG LEU 17 HG LEU 17 5.379 5.326 2.877 127 HD11 LEU 17 HD11 LEU 17 2.949 6.862 3.784 128 HD12 LEU 17 HD12 LEU 17 3.520 6.689 2.124 129 HD13 LEU 17 HD13 LEU 17 4.491 7.570 3.303 130 HD21 LEU 17 HD21 LEU 17 5.582 4.630 5.213 131 HD22 LEU 17 HD22 LEU 17 4.212 5.654 5.643 132 HD23 LEU 17 HD23 LEU 17 5.709 6.382 5.059 133 H LYS 18 H LYS 18 2.630 1.769 4.864 134 HA LYS 18 HA LYS 18 4.119 1.751 7.263 135 HB2 LYS 18 HB2 LYS 18 1.801 0.024 6.375 136 HB3 LYS 18 HB3 LYS 18 2.414 0.099 8.021 137 HG2 LYS 18 HG2 LYS 18 1.776 2.400 8.211 138 HG3 LYS 18 HG3 LYS 18 1.318 2.458 6.509 139 HD2 LYS 18 HD2 LYS 18 -0.453 0.836 6.921 140 HD3 LYS 18 HD3 LYS 18 0.022 0.729 8.616 141 HE2 LYS 18 HE2 LYS 18 -0.999 3.197 7.212 142 HE3 LYS 18 HE3 LYS 18 -1.923 2.182 8.319 143 HZ1 LYS 18 HZ1 LYS 18 -0.364 2.772 10.045 144 HZ2 LYS 18 HZ2 LYS 18 -1.047 4.110 9.426 145 HZ3 LYS 18 HZ3 LYS 18 0.476 3.720 9.022 146 H ALA 19 H ALA 19 3.836 -0.486 4.590 147 HA ALA 19 HA ALA 19 5.166 -2.673 5.799 148 HB1 ALA 19 HB1 ALA 19 3.723 -2.912 3.835 149 HB2 ALA 19 HB2 ALA 19 5.328 -3.582 3.553 150 HB3 ALA 19 HB3 ALA 19 4.895 -2.017 2.869 151 H ILE 20 H ILE 20 6.438 -0.841 3.019 152 HA ILE 20 HA ILE 20 9.110 -1.103 4.242 153 HB ILE 20 HB ILE 20 10.083 -1.167 2.038 154 HG12 ILE 20 HG12 ILE 20 7.265 -0.931 0.956 155 HG13 ILE 20 HG13 ILE 20 8.460 0.360 0.944 156 HG21 ILE 20 HG21 ILE 20 7.738 -3.058 2.218 157 HG22 ILE 20 HG22 ILE 20 9.319 -3.287 2.968 158 HG23 ILE 20 HG23 ILE 20 9.169 -3.284 1.211 159 HD11 ILE 20 HD11 ILE 20 9.867 -0.920 -0.549 160 HD12 ILE 20 HD12 ILE 20 8.245 -0.752 -1.226 161 HD13 ILE 20 HD13 ILE 20 8.740 -2.273 -0.483 162 H GLY 21 H GLY 21 6.753 1.074 3.078 163 HA2 GLY 21 HA2 GLY 21 6.965 3.438 3.519 164 HA3 GLY 21 HA3 GLY 21 8.696 3.285 3.249 165 H SER 22 H SER 22 5.988 2.070 1.324 166 HA SER 22 HA SER 22 6.940 3.717 -0.928 167 HB2 SER 22 HB2 SER 22 7.526 1.264 -1.098 168 HB3 SER 22 HB3 SER 22 5.807 0.913 -1.132 169 HG SER 22 HG SER 22 7.263 2.485 -2.998 170 H ILE 23 H ILE 23 5.368 4.685 -2.170 171 HA ILE 23 HA ILE 23 2.615 4.372 -1.216 172 HB ILE 23 HB ILE 23 2.104 6.471 -2.290 173 HG12 ILE 23 HG12 ILE 23 5.004 6.580 -3.144 174 HG13 ILE 23 HG13 ILE 23 3.675 6.171 -4.223 175 HG21 ILE 23 HG21 ILE 23 2.999 6.551 -0.046 176 HG22 ILE 23 HG22 ILE 23 3.555 7.950 -0.966 177 HG23 ILE 23 HG23 ILE 23 4.643 6.592 -0.678 178 HD11 ILE 23 HD11 ILE 23 2.693 8.373 -3.819 179 HD12 ILE 23 HD12 ILE 23 4.317 8.478 -4.498 180 HD13 ILE 23 HD13 ILE 23 4.057 8.777 -2.779 181 H PHE 24 H PHE 24 4.047 2.510 -2.968 182 HA PHE 24 HA PHE 24 2.272 2.620 -5.312 183 HB2 PHE 24 HB2 PHE 24 5.099 1.542 -5.335 184 HB3 PHE 24 HB3 PHE 24 4.048 1.831 -6.721 185 HD1 PHE 24 HD1 PHE 24 3.560 4.146 -7.439 186 HD2 PHE 24 HD2 PHE 24 6.344 3.302 -4.339 187 HE1 PHE 24 HE1 PHE 24 4.481 6.416 -7.652 188 HE2 PHE 24 HE2 PHE 24 7.277 5.558 -4.544 189 HZ PHE 24 HZ PHE 24 6.348 7.126 -6.209 190 H GLY 25 H GLY 25 1.396 1.436 -3.180 191 HA2 GLY 25 HA2 GLY 25 2.219 -1.227 -2.683 192 HA3 GLY 25 HA3 GLY 25 0.717 -0.476 -2.162 193 H LYS 26 H LYS 26 0.918 -3.149 -2.928 194 HA LYS 26 HA LYS 26 -0.620 -3.184 -5.445 195 HB2 LYS 26 HB2 LYS 26 1.238 -5.325 -4.372 196 HB3 LYS 26 HB3 LYS 26 0.294 -5.435 -5.857 197 HG2 LYS 26 HG2 LYS 26 2.503 -3.459 -5.308 198 HG3 LYS 26 HG3 LYS 26 2.625 -4.900 -6.317 199 HD2 LYS 26 HD2 LYS 26 1.031 -4.003 -7.881 200 HD3 LYS 26 HD3 LYS 26 0.714 -2.624 -6.829 201 HE2 LYS 26 HE2 LYS 26 2.183 -1.970 -8.646 202 HE3 LYS 26 HE3 LYS 26 3.039 -1.889 -7.108 203 HZ1 LYS 26 HZ1 LYS 26 4.371 -2.913 -8.812 204 HZ2 LYS 26 HZ2 LYS 26 3.257 -4.072 -9.055 205 HZ3 LYS 26 HZ3 LYS 26 4.049 -3.997 -7.640 206 H CYS 27 H CYS 27 -2.583 -4.052 -5.338 207 HA CYS 27 HA CYS 27 -3.967 -4.409 -2.991 208 HB2 CYS 27 HB2 CYS 27 -5.065 -4.023 -5.111 209 HB3 CYS 27 HB3 CYS 27 -4.523 -5.580 -5.721 210 H MET 28 H MET 28 -3.489 -5.808 -1.414 211 HA MET 28 HA MET 28 -3.484 -8.669 -1.968 212 HB2 MET 28 HB2 MET 28 -1.163 -7.257 -0.645 213 HB3 MET 28 HB3 MET 28 -1.428 -8.990 -0.546 214 HG2 MET 28 HG2 MET 28 -0.960 -7.432 -3.079 215 HG3 MET 28 HG3 MET 28 0.244 -8.396 -2.227 216 HE1 MET 28 HE1 MET 28 0.749 -9.663 -4.522 217 HE2 MET 28 HE2 MET 28 -0.494 -8.715 -5.337 218 HE3 MET 28 HE3 MET 28 -0.490 -10.472 -5.481 219 H ASN 29 H ASN 29 -4.500 -9.755 -0.419 220 HA ASN 29 HA ASN 29 -5.848 -10.121 1.356 221 HB2 ASN 29 HB2 ASN 29 -4.697 -10.057 3.547 222 HB3 ASN 29 HB3 ASN 29 -3.793 -10.881 2.291 223 HD21 ASN 29 HD21 ASN 29 -1.873 -10.004 1.569 224 HD22 ASN 29 HD22 ASN 29 -1.055 -8.739 2.419 225 H LYS 30 H LYS 30 -6.809 -7.946 0.366 226 HA LYS 30 HA LYS 30 -8.428 -6.456 0.877 227 HB2 LYS 30 HB2 LYS 30 -7.752 -7.206 3.708 228 HB3 LYS 30 HB3 LYS 30 -8.968 -6.000 3.314 229 HG2 LYS 30 HG2 LYS 30 -10.195 -7.679 2.015 230 HG3 LYS 30 HG3 LYS 30 -8.989 -8.886 2.463 231 HD2 LYS 30 HD2 LYS 30 -9.567 -8.668 4.791 232 HD3 LYS 30 HD3 LYS 30 -10.662 -7.333 4.432 233 HE2 LYS 30 HE2 LYS 30 -10.975 -10.152 3.412 234 HE3 LYS 30 HE3 LYS 30 -11.831 -9.477 4.795 235 HZ1 LYS 30 HZ1 LYS 30 -12.798 -7.859 3.303 236 HZ2 LYS 30 HZ2 LYS 30 -13.169 -9.366 2.830 237 HZ3 LYS 30 HZ3 LYS 30 -12.035 -8.524 2.029 238 H LYS 31 H LYS 31 -5.214 -6.002 1.554 239 HA LYS 31 HA LYS 31 -5.668 -3.097 1.489 240 HB2 LYS 31 HB2 LYS 31 -3.639 -4.568 3.178 241 HB3 LYS 31 HB3 LYS 31 -3.433 -2.882 2.731 242 HG2 LYS 31 HG2 LYS 31 -4.350 -2.847 4.883 243 HG3 LYS 31 HG3 LYS 31 -5.691 -2.465 3.805 244 HD2 LYS 31 HD2 LYS 31 -6.498 -4.011 5.420 245 HD3 LYS 31 HD3 LYS 31 -6.328 -4.884 3.896 246 HE2 LYS 31 HE2 LYS 31 -4.131 -5.725 4.675 247 HE3 LYS 31 HE3 LYS 31 -4.408 -4.932 6.226 248 HZ1 LYS 31 HZ1 LYS 31 -6.007 -7.105 5.071 249 HZ2 LYS 31 HZ2 LYS 31 -6.384 -6.325 6.446 250 HZ3 LYS 31 HZ3 LYS 31 -5.024 -7.207 6.366 251 H CYS 32 H CYS 32 -2.713 -2.714 1.331 252 HA CYS 32 HA CYS 32 -2.159 -4.122 -1.164 253 HB2 CYS 32 HB2 CYS 32 -1.906 -1.162 -0.704 254 HB3 CYS 32 HB3 CYS 32 -1.208 -2.006 -2.082 255 H LYS 33 H LYS 33 -0.306 -5.029 -1.204 256 HA LYS 33 HA LYS 33 1.764 -4.269 0.741 257 HB2 LYS 33 HB2 LYS 33 1.215 -6.442 1.300 258 HB3 LYS 33 HB3 LYS 33 0.780 -6.865 -0.349 259 HG2 LYS 33 HG2 LYS 33 3.104 -6.993 -0.974 260 HG3 LYS 33 HG3 LYS 33 3.593 -6.472 0.642 261 HD2 LYS 33 HD2 LYS 33 2.040 -8.989 0.035 262 HD3 LYS 33 HD3 LYS 33 3.781 -8.922 0.311 263 HE2 LYS 33 HE2 LYS 33 3.397 -8.052 2.559 264 HE3 LYS 33 HE3 LYS 33 1.658 -8.087 2.284 265 HZ1 LYS 33 HZ1 LYS 33 1.796 -10.457 2.074 266 HZ2 LYS 33 HZ2 LYS 33 2.419 -10.003 3.504 267 HZ3 LYS 33 HZ3 LYS 33 3.409 -10.437 2.293 268 H CYS 34 H CYS 34 3.863 -4.011 0.022 269 HA CYS 34 HA CYS 34 4.300 -3.298 -2.680 270 HB2 CYS 34 HB2 CYS 34 6.513 -4.025 -0.781 271 HB3 CYS 34 HB3 CYS 34 6.474 -2.756 -2.007 Start of MODEL 7 1 H1 GLN 1 H1 GLN 1 -12.776 9.133 2.405 2 H2 GLN 1 H2 GLN 1 -11.386 9.592 3.106 3 H3 GLN 1 H3 GLN 1 -12.502 8.783 3.967 4 HA GLN 1 HA GLN 1 -11.039 7.698 1.683 5 HB2 GLN 1 HB2 GLN 1 -10.700 7.331 4.655 6 HB3 GLN 1 HB3 GLN 1 -10.132 6.129 3.509 7 HG2 GLN 1 HG2 GLN 1 -8.308 7.549 4.158 8 HG3 GLN 1 HG3 GLN 1 -8.698 7.837 2.465 9 HE21 GLN 1 HE21 GLN 1 -9.557 9.803 1.849 10 HE22 GLN 1 HE22 GLN 1 -9.567 11.184 2.895 11 H MET 2 H MET 2 -11.342 5.361 1.469 12 HA MET 2 HA MET 2 -14.090 4.586 2.192 13 HB2 MET 2 HB2 MET 2 -12.340 3.341 0.073 14 HB3 MET 2 HB3 MET 2 -14.062 3.104 0.309 15 HG2 MET 2 HG2 MET 2 -12.746 5.673 -0.540 16 HG3 MET 2 HG3 MET 2 -13.567 4.537 -1.606 17 HE1 MET 2 HE1 MET 2 -16.138 4.230 -1.766 18 HE2 MET 2 HE2 MET 2 -17.284 4.870 -0.588 19 HE3 MET 2 HE3 MET 2 -16.121 3.638 -0.104 20 H ASP 3 H ASP 3 -14.255 2.089 2.294 21 HA ASP 3 HA ASP 3 -12.859 1.318 4.642 22 HB2 ASP 3 HB2 ASP 3 -15.169 0.560 4.000 23 HB3 ASP 3 HB3 ASP 3 -14.428 -0.469 2.778 24 H MET 4 H MET 4 -11.307 -0.264 4.956 25 HA MET 4 HA MET 4 -9.412 -0.584 2.824 26 HB2 MET 4 HB2 MET 4 -8.023 -1.728 4.514 27 HB3 MET 4 HB3 MET 4 -8.563 -0.144 5.049 28 HG2 MET 4 HG2 MET 4 -9.894 -2.717 5.831 29 HG3 MET 4 HG3 MET 4 -8.632 -1.937 6.782 30 HE1 MET 4 HE1 MET 4 -11.573 -2.739 7.838 31 HE2 MET 4 HE2 MET 4 -11.944 -1.326 8.826 32 HE3 MET 4 HE3 MET 4 -10.325 -2.027 8.860 33 H ARG 5 H ARG 5 -11.565 -1.675 1.941 34 HA ARG 5 HA ARG 5 -11.197 -4.582 2.173 35 HB2 ARG 5 HB2 ARG 5 -13.447 -4.715 1.099 36 HB3 ARG 5 HB3 ARG 5 -13.466 -3.921 2.663 37 HG2 ARG 5 HG2 ARG 5 -13.458 -1.738 1.476 38 HG3 ARG 5 HG3 ARG 5 -13.595 -2.620 -0.045 39 HD2 ARG 5 HD2 ARG 5 -15.561 -2.764 2.234 40 HD3 ARG 5 HD3 ARG 5 -15.768 -1.801 0.773 41 HE ARG 5 HE ARG 5 -15.344 -4.346 -0.131 42 HH11 ARG 5 HH11 ARG 5 -17.632 -2.835 2.033 43 HH12 ARG 5 HH12 ARG 5 -18.915 -3.939 1.660 44 HH21 ARG 5 HH21 ARG 5 -17.019 -5.814 -0.619 45 HH22 ARG 5 HH22 ARG 5 -18.563 -5.645 0.155 46 H CYS 6 H CYS 6 -9.379 -3.029 0.762 47 HA CYS 6 HA CYS 6 -8.252 -2.921 -1.196 48 HB2 CYS 6 HB2 CYS 6 -8.760 -5.387 -1.297 49 HB3 CYS 6 HB3 CYS 6 -10.180 -4.996 -2.254 50 H SER 7 H SER 7 -10.271 -1.189 -0.574 51 HA SER 7 HA SER 7 -10.712 -0.028 -3.158 52 HB2 SER 7 HB2 SER 7 -13.105 -0.620 -1.401 53 HB3 SER 7 HB3 SER 7 -13.104 0.167 -2.969 54 HG SER 7 HG SER 7 -11.927 -2.066 -3.436 55 H ALA 8 H ALA 8 -9.426 0.419 -0.374 56 HA ALA 8 HA ALA 8 -10.972 2.465 0.864 57 HB1 ALA 8 HB1 ALA 8 -8.066 1.816 1.254 58 HB2 ALA 8 HB2 ALA 8 -9.414 1.117 2.147 59 HB3 ALA 8 HB3 ALA 8 -9.052 2.833 2.301 60 H SER 9 H SER 9 -8.888 2.400 -1.790 61 HA SER 9 HA SER 9 -8.175 3.969 -3.263 62 HB2 SER 9 HB2 SER 9 -10.332 5.116 -2.912 63 HB3 SER 9 HB3 SER 9 -9.659 5.953 -1.514 64 HG SER 9 HG SER 9 -8.036 6.771 -3.060 65 H VAL 10 H VAL 10 -6.946 3.319 -0.524 66 HA VAL 10 HA VAL 10 -4.846 5.336 -0.656 67 HB VAL 10 HB VAL 10 -6.628 6.170 0.891 68 HG11 VAL 10 HG11 VAL 10 -5.727 3.868 2.612 69 HG12 VAL 10 HG12 VAL 10 -7.318 4.071 1.877 70 HG13 VAL 10 HG13 VAL 10 -6.776 5.188 3.131 71 HG21 VAL 10 HG21 VAL 10 -4.330 6.961 1.017 72 HG22 VAL 10 HG22 VAL 10 -3.943 5.651 2.131 73 HG23 VAL 10 HG23 VAL 10 -5.082 6.908 2.613 74 H GLU 11 H GLU 11 -5.714 2.101 -0.161 75 HA GLU 11 HA GLU 11 -3.843 1.344 1.831 76 HB2 GLU 11 HB2 GLU 11 -4.720 -0.581 -0.287 77 HB3 GLU 11 HB3 GLU 11 -4.473 -0.857 1.426 78 HG2 GLU 11 HG2 GLU 11 -6.725 -0.965 1.345 79 HG3 GLU 11 HG3 GLU 11 -6.524 0.762 1.643 80 H CYS 12 H CYS 12 -3.736 1.584 -1.665 81 HA CYS 12 HA CYS 12 -1.211 0.235 -1.873 82 HB2 CYS 12 HB2 CYS 12 -2.540 1.922 -3.990 83 HB3 CYS 12 HB3 CYS 12 -1.327 0.659 -4.214 84 H LYS 13 H LYS 13 -1.793 2.950 -0.420 85 HA LYS 13 HA LYS 13 0.770 4.041 -1.309 86 HB2 LYS 13 HB2 LYS 13 -1.454 5.715 -0.131 87 HB3 LYS 13 HB3 LYS 13 0.045 6.281 -0.853 88 HG2 LYS 13 HG2 LYS 13 -2.027 4.791 -2.428 89 HG3 LYS 13 HG3 LYS 13 -2.064 6.541 -2.224 90 HD2 LYS 13 HD2 LYS 13 0.151 6.715 -3.235 91 HD3 LYS 13 HD3 LYS 13 0.217 4.960 -3.410 92 HE2 LYS 13 HE2 LYS 13 -0.398 6.015 -5.511 93 HE3 LYS 13 HE3 LYS 13 -1.727 5.038 -4.892 94 HZ1 LYS 13 HZ1 LYS 13 -1.519 7.953 -4.634 95 HZ2 LYS 13 HZ2 LYS 13 -2.758 7.044 -4.111 96 HZ3 LYS 13 HZ3 LYS 13 -2.466 7.174 -5.704 97 H GLN 14 H GLN 14 -1.520 3.787 1.414 98 HA GLN 14 HA GLN 14 0.524 4.672 3.265 99 HB2 GLN 14 HB2 GLN 14 -2.340 3.822 3.686 100 HB3 GLN 14 HB3 GLN 14 -1.270 4.307 4.995 101 HG2 GLN 14 HG2 GLN 14 -2.157 6.000 2.674 102 HG3 GLN 14 HG3 GLN 14 -2.666 6.157 4.354 103 HE21 GLN 14 HE21 GLN 14 -0.160 6.728 2.048 104 HE22 GLN 14 HE22 GLN 14 0.823 7.737 3.049 105 H LYS 15 H LYS 15 -1.213 1.612 2.638 106 HA LYS 15 HA LYS 15 0.032 0.162 4.720 107 HB2 LYS 15 HB2 LYS 15 -1.917 -0.419 2.971 108 HB3 LYS 15 HB3 LYS 15 -0.572 -1.236 2.192 109 HG2 LYS 15 HG2 LYS 15 -1.750 -2.774 3.626 110 HG3 LYS 15 HG3 LYS 15 -0.125 -2.491 4.241 111 HD2 LYS 15 HD2 LYS 15 -1.033 -0.896 5.873 112 HD3 LYS 15 HD3 LYS 15 -2.656 -1.195 5.255 113 HE2 LYS 15 HE2 LYS 15 -2.279 -2.458 7.291 114 HE3 LYS 15 HE3 LYS 15 -2.461 -3.550 5.919 115 HZ1 LYS 15 HZ1 LYS 15 -0.101 -3.812 5.874 116 HZ2 LYS 15 HZ2 LYS 15 -0.631 -4.159 7.369 117 HZ3 LYS 15 HZ3 LYS 15 0.109 -2.743 7.082 118 H CYS 16 H CYS 16 0.818 0.782 1.382 119 HA CYS 16 HA CYS 16 3.180 -0.675 1.112 120 HB2 CYS 16 HB2 CYS 16 1.807 0.723 -0.612 121 HB3 CYS 16 HB3 CYS 16 2.825 2.057 -0.081 122 H LEU 17 H LEU 17 2.507 2.414 2.592 123 HA LEU 17 HA LEU 17 5.249 3.193 2.869 124 HB2 LEU 17 HB2 LEU 17 2.887 4.530 2.832 125 HB3 LEU 17 HB3 LEU 17 3.191 4.470 4.556 126 HG LEU 17 HG LEU 17 5.239 5.503 2.617 127 HD11 LEU 17 HD11 LEU 17 3.243 6.818 2.293 128 HD12 LEU 17 HD12 LEU 17 4.446 7.755 3.177 129 HD13 LEU 17 HD13 LEU 17 3.079 7.044 4.034 130 HD21 LEU 17 HD21 LEU 17 5.988 4.878 4.886 131 HD22 LEU 17 HD22 LEU 17 4.814 6.008 5.559 132 HD23 LEU 17 HD23 LEU 17 6.147 6.606 4.569 133 H LYS 18 H LYS 18 2.744 1.848 4.947 134 HA LYS 18 HA LYS 18 4.359 1.762 7.288 135 HB2 LYS 18 HB2 LYS 18 1.921 0.124 6.556 136 HB3 LYS 18 HB3 LYS 18 2.618 0.257 8.167 137 HG2 LYS 18 HG2 LYS 18 2.116 2.633 8.210 138 HG3 LYS 18 HG3 LYS 18 1.465 2.538 6.575 139 HD2 LYS 18 HD2 LYS 18 -0.252 0.959 7.388 140 HD3 LYS 18 HD3 LYS 18 0.378 1.157 9.026 141 HE2 LYS 18 HE2 LYS 18 -0.096 3.580 8.874 142 HE3 LYS 18 HE3 LYS 18 -0.810 3.316 7.285 143 HZ1 LYS 18 HZ1 LYS 18 -1.780 2.182 9.812 144 HZ2 LYS 18 HZ2 LYS 18 -2.419 1.872 8.351 145 HZ3 LYS 18 HZ3 LYS 18 -2.492 3.374 8.962 146 H ALA 19 H ALA 19 4.022 -0.236 4.482 147 HA ALA 19 HA ALA 19 5.347 -2.533 5.540 148 HB1 ALA 19 HB1 ALA 19 3.911 -2.680 3.570 149 HB2 ALA 19 HB2 ALA 19 5.544 -3.246 3.212 150 HB3 ALA 19 HB3 ALA 19 5.026 -1.647 2.675 151 H ILE 20 H ILE 20 6.514 -0.373 2.949 152 HA ILE 20 HA ILE 20 9.225 -0.669 4.070 153 HB ILE 20 HB ILE 20 10.097 -0.846 1.760 154 HG12 ILE 20 HG12 ILE 20 7.208 -1.272 0.981 155 HG13 ILE 20 HG13 ILE 20 8.110 0.207 0.667 156 HG21 ILE 20 HG21 ILE 20 9.815 -2.848 3.097 157 HG22 ILE 20 HG22 ILE 20 9.458 -3.189 1.404 158 HG23 ILE 20 HG23 ILE 20 8.141 -2.993 2.561 159 HD11 ILE 20 HD11 ILE 20 8.052 -1.106 -1.322 160 HD12 ILE 20 HD12 ILE 20 8.658 -2.524 -0.464 161 HD13 ILE 20 HD13 ILE 20 9.700 -1.120 -0.693 162 H GLY 21 H GLY 21 7.045 1.550 3.781 163 HA2 GLY 21 HA2 GLY 21 7.175 3.851 3.709 164 HA3 GLY 21 HA3 GLY 21 8.903 3.697 3.444 165 H SER 22 H SER 22 6.215 2.465 1.519 166 HA SER 22 HA SER 22 7.152 4.101 -0.744 167 HB2 SER 22 HB2 SER 22 6.209 1.226 -0.718 168 HB3 SER 22 HB3 SER 22 6.548 2.135 -2.184 169 HG SER 22 HG SER 22 8.603 2.257 -0.392 170 H ILE 23 H ILE 23 5.435 4.319 -2.468 171 HA ILE 23 HA ILE 23 2.733 4.269 -1.306 172 HB ILE 23 HB ILE 23 2.209 6.347 -2.538 173 HG12 ILE 23 HG12 ILE 23 5.197 6.529 -2.951 174 HG13 ILE 23 HG13 ILE 23 4.043 6.118 -4.214 175 HG21 ILE 23 HG21 ILE 23 2.752 6.436 -0.180 176 HG22 ILE 23 HG22 ILE 23 3.394 7.860 -1.002 177 HG23 ILE 23 HG23 ILE 23 4.471 6.534 -0.560 178 HD11 ILE 23 HD11 ILE 23 2.988 8.290 -3.959 179 HD12 ILE 23 HD12 ILE 23 4.704 8.441 -4.339 180 HD13 ILE 23 HD13 ILE 23 4.139 8.701 -2.688 181 H PHE 24 H PHE 24 3.906 2.278 -2.894 182 HA PHE 24 HA PHE 24 2.303 2.469 -5.343 183 HB2 PHE 24 HB2 PHE 24 5.122 1.368 -5.235 184 HB3 PHE 24 HB3 PHE 24 4.115 1.560 -6.668 185 HD1 PHE 24 HD1 PHE 24 6.228 3.261 -4.224 186 HD2 PHE 24 HD2 PHE 24 3.731 3.761 -7.629 187 HE1 PHE 24 HE1 PHE 24 7.145 5.509 -4.555 188 HE2 PHE 24 HE2 PHE 24 4.637 6.020 -7.967 189 HZ PHE 24 HZ PHE 24 6.353 6.897 -6.434 190 H GLY 25 H GLY 25 1.276 1.327 -3.305 191 HA2 GLY 25 HA2 GLY 25 2.092 -1.291 -2.628 192 HA3 GLY 25 HA3 GLY 25 0.569 -0.521 -2.211 193 H LYS 26 H LYS 26 0.995 -3.235 -2.875 194 HA LYS 26 HA LYS 26 -0.335 -3.569 -5.481 195 HB2 LYS 26 HB2 LYS 26 1.079 -5.615 -3.752 196 HB3 LYS 26 HB3 LYS 26 0.406 -5.907 -5.351 197 HG2 LYS 26 HG2 LYS 26 2.661 -4.001 -4.750 198 HG3 LYS 26 HG3 LYS 26 2.852 -5.639 -5.376 199 HD2 LYS 26 HD2 LYS 26 1.264 -3.487 -6.767 200 HD3 LYS 26 HD3 LYS 26 2.961 -3.822 -7.104 201 HE2 LYS 26 HE2 LYS 26 2.403 -6.088 -7.780 202 HE3 LYS 26 HE3 LYS 26 0.710 -5.811 -7.371 203 HZ1 LYS 26 HZ1 LYS 26 1.169 -5.572 -9.732 204 HZ2 LYS 26 HZ2 LYS 26 2.178 -4.334 -9.437 205 HZ3 LYS 26 HZ3 LYS 26 0.596 -4.188 -9.094 206 H CYS 27 H CYS 27 -2.464 -3.914 -5.414 207 HA CYS 27 HA CYS 27 -4.040 -4.177 -3.154 208 HB2 CYS 27 HB2 CYS 27 -4.953 -3.490 -5.285 209 HB3 CYS 27 HB3 CYS 27 -4.593 -5.061 -5.993 210 H MET 28 H MET 28 -3.680 -5.730 -1.670 211 HA MET 28 HA MET 28 -4.266 -8.482 -2.331 212 HB2 MET 28 HB2 MET 28 -1.518 -7.611 -1.477 213 HB3 MET 28 HB3 MET 28 -2.113 -9.218 -1.098 214 HG2 MET 28 HG2 MET 28 -1.811 -8.047 -3.854 215 HG3 MET 28 HG3 MET 28 -0.728 -9.213 -3.095 216 HE1 MET 28 HE1 MET 28 -3.027 -12.374 -2.793 217 HE2 MET 28 HE2 MET 28 -2.835 -11.111 -1.578 218 HE3 MET 28 HE3 MET 28 -1.432 -11.694 -2.475 219 H ASN 29 H ASN 29 -5.399 -9.328 -0.724 220 HA ASN 29 HA ASN 29 -6.210 -9.824 1.335 221 HB2 ASN 29 HB2 ASN 29 -3.655 -8.538 2.315 222 HB3 ASN 29 HB3 ASN 29 -4.769 -9.449 3.323 223 HD21 ASN 29 HD21 ASN 29 -5.322 -11.517 1.400 224 HD22 ASN 29 HD22 ASN 29 -3.886 -12.465 1.261 225 H LYS 30 H LYS 30 -7.144 -7.530 0.115 226 HA LYS 30 HA LYS 30 -8.647 -5.904 0.581 227 HB2 LYS 30 HB2 LYS 30 -8.061 -6.599 3.458 228 HB3 LYS 30 HB3 LYS 30 -9.280 -5.433 2.957 229 HG2 LYS 30 HG2 LYS 30 -10.511 -7.142 1.796 230 HG3 LYS 30 HG3 LYS 30 -9.246 -8.326 2.123 231 HD2 LYS 30 HD2 LYS 30 -9.674 -8.121 4.523 232 HD3 LYS 30 HD3 LYS 30 -10.934 -6.928 4.197 233 HE2 LYS 30 HE2 LYS 30 -11.904 -9.129 4.596 234 HE3 LYS 30 HE3 LYS 30 -12.198 -8.604 2.941 235 HZ1 LYS 30 HZ1 LYS 30 -10.387 -10.010 2.244 236 HZ2 LYS 30 HZ2 LYS 30 -11.501 -10.891 3.029 237 HZ3 LYS 30 HZ3 LYS 30 -10.115 -10.495 3.774 238 H LYS 31 H LYS 31 -5.425 -5.767 1.512 239 HA LYS 31 HA LYS 31 -5.543 -2.830 1.378 240 HB2 LYS 31 HB2 LYS 31 -3.648 -4.519 3.024 241 HB3 LYS 31 HB3 LYS 31 -3.391 -2.819 2.693 242 HG2 LYS 31 HG2 LYS 31 -4.305 -2.832 4.814 243 HG3 LYS 31 HG3 LYS 31 -5.677 -2.449 3.772 244 HD2 LYS 31 HD2 LYS 31 -6.399 -4.075 5.374 245 HD3 LYS 31 HD3 LYS 31 -6.290 -4.865 3.798 246 HE2 LYS 31 HE2 LYS 31 -4.071 -5.748 4.424 247 HE3 LYS 31 HE3 LYS 31 -4.237 -5.005 6.012 248 HZ1 LYS 31 HZ1 LYS 31 -6.160 -6.404 6.367 249 HZ2 LYS 31 HZ2 LYS 31 -4.840 -7.305 6.075 250 HZ3 LYS 31 HZ3 LYS 31 -5.959 -7.107 4.911 251 H CYS 32 H CYS 32 -2.595 -2.754 1.292 252 HA CYS 32 HA CYS 32 -2.058 -4.176 -1.200 253 HB2 CYS 32 HB2 CYS 32 -1.699 -1.228 -0.730 254 HB3 CYS 32 HB3 CYS 32 -1.009 -2.092 -2.100 255 H LYS 33 H LYS 33 -0.095 -5.054 -1.283 256 HA LYS 33 HA LYS 33 1.661 -4.609 1.028 257 HB2 LYS 33 HB2 LYS 33 1.830 -6.848 -0.986 258 HB3 LYS 33 HB3 LYS 33 2.559 -6.778 0.612 259 HG2 LYS 33 HG2 LYS 33 0.338 -6.871 1.625 260 HG3 LYS 33 HG3 LYS 33 -0.379 -6.944 0.014 261 HD2 LYS 33 HD2 LYS 33 -0.228 -9.168 1.039 262 HD3 LYS 33 HD3 LYS 33 0.756 -9.053 -0.418 263 HE2 LYS 33 HE2 LYS 33 1.935 -10.241 1.361 264 HE3 LYS 33 HE3 LYS 33 2.756 -8.743 0.938 265 HZ1 LYS 33 HZ1 LYS 33 2.619 -9.072 3.314 266 HZ2 LYS 33 HZ2 LYS 33 0.995 -9.094 3.257 267 HZ3 LYS 33 HZ3 LYS 33 1.797 -7.736 2.877 268 H CYS 34 H CYS 34 3.944 -4.515 0.740 269 HA CYS 34 HA CYS 34 4.924 -4.140 -1.984 270 HB2 CYS 34 HB2 CYS 34 5.277 -2.182 0.278 271 HB3 CYS 34 HB3 CYS 34 6.368 -2.217 -1.107 Start of MODEL 8 1 H1 GLN 1 H1 GLN 1 -17.415 7.657 0.412 2 H2 GLN 1 H2 GLN 1 -16.723 7.669 1.882 3 H3 GLN 1 H3 GLN 1 -17.658 6.418 1.437 4 HA GLN 1 HA GLN 1 -16.131 5.770 -0.255 5 HB2 GLN 1 HB2 GLN 1 -14.587 8.134 0.814 6 HB3 GLN 1 HB3 GLN 1 -13.853 6.881 -0.170 7 HG2 GLN 1 HG2 GLN 1 -15.676 7.449 -1.884 8 HG3 GLN 1 HG3 GLN 1 -15.889 8.924 -0.941 9 HE21 GLN 1 HE21 GLN 1 -14.190 10.421 -0.842 10 HE22 GLN 1 HE22 GLN 1 -12.893 10.403 -1.985 11 H MET 2 H MET 2 -13.703 5.049 0.338 12 HA MET 2 HA MET 2 -12.331 3.820 1.600 13 HB2 MET 2 HB2 MET 2 -13.656 5.224 3.904 14 HB3 MET 2 HB3 MET 2 -12.327 4.090 4.085 15 HG2 MET 2 HG2 MET 2 -11.296 6.167 4.130 16 HG3 MET 2 HG3 MET 2 -11.037 5.607 2.480 17 HE1 MET 2 HE1 MET 2 -14.247 7.207 4.203 18 HE2 MET 2 HE2 MET 2 -14.009 8.896 3.758 19 HE3 MET 2 HE3 MET 2 -12.863 8.098 4.835 20 H ASP 3 H ASP 3 -12.858 1.840 1.113 21 HA ASP 3 HA ASP 3 -14.961 0.477 2.648 22 HB2 ASP 3 HB2 ASP 3 -15.196 0.560 0.142 23 HB3 ASP 3 HB3 ASP 3 -13.690 -0.336 0.017 24 H MET 4 H MET 4 -11.824 1.067 2.629 25 HA MET 4 HA MET 4 -9.849 0.144 3.159 26 HB2 MET 4 HB2 MET 4 -9.804 -1.069 5.265 27 HB3 MET 4 HB3 MET 4 -10.899 0.299 5.343 28 HG2 MET 4 HG2 MET 4 -12.785 -1.181 5.060 29 HG3 MET 4 HG3 MET 4 -11.706 -2.567 4.948 30 HE1 MET 4 HE1 MET 4 -13.132 0.256 7.248 31 HE2 MET 4 HE2 MET 4 -11.400 0.549 7.388 32 HE3 MET 4 HE3 MET 4 -12.307 -0.049 8.776 33 H ARG 5 H ARG 5 -11.280 -1.306 1.039 34 HA ARG 5 HA ARG 5 -9.825 -3.841 1.230 35 HB2 ARG 5 HB2 ARG 5 -12.701 -3.478 0.408 36 HB3 ARG 5 HB3 ARG 5 -11.777 -4.946 0.129 37 HG2 ARG 5 HG2 ARG 5 -11.587 -5.397 2.407 38 HG3 ARG 5 HG3 ARG 5 -12.054 -3.752 2.847 39 HD2 ARG 5 HD2 ARG 5 -13.862 -5.351 3.271 40 HD3 ARG 5 HD3 ARG 5 -14.311 -4.160 2.054 41 HE ARG 5 HE ARG 5 -13.394 -6.858 1.305 42 HH11 ARG 5 HH11 ARG 5 -15.632 -4.189 0.992 43 HH12 ARG 5 HH12 ARG 5 -16.698 -5.043 -0.078 44 HH21 ARG 5 HH21 ARG 5 -14.782 -7.975 -0.133 45 HH22 ARG 5 HH22 ARG 5 -16.211 -7.191 -0.726 46 H CYS 6 H CYS 6 -8.475 -2.236 -0.076 47 HA CYS 6 HA CYS 6 -7.628 -1.446 -2.006 48 HB2 CYS 6 HB2 CYS 6 -7.356 -3.908 -2.291 49 HB3 CYS 6 HB3 CYS 6 -8.880 -3.938 -3.173 50 H SER 7 H SER 7 -9.933 -0.229 -1.369 51 HA SER 7 HA SER 7 -10.964 0.682 -3.865 52 HB2 SER 7 HB2 SER 7 -12.221 -1.474 -3.563 53 HB3 SER 7 HB3 SER 7 -12.897 -0.820 -2.074 54 HG SER 7 HG SER 7 -13.149 0.538 -4.541 55 H ALA 8 H ALA 8 -9.947 1.279 -0.895 56 HA ALA 8 HA ALA 8 -12.051 3.069 -0.042 57 HB1 ALA 8 HB1 ALA 8 -10.446 3.695 1.757 58 HB2 ALA 8 HB2 ALA 8 -9.275 2.594 1.031 59 HB3 ALA 8 HB3 ALA 8 -10.789 1.968 1.680 60 H SER 9 H SER 9 -8.602 3.739 -0.487 61 HA SER 9 HA SER 9 -8.896 5.860 -2.300 62 HB2 SER 9 HB2 SER 9 -9.012 6.632 0.619 63 HB3 SER 9 HB3 SER 9 -8.398 7.744 -0.604 64 HG SER 9 HG SER 9 -10.861 6.519 -1.088 65 H VAL 10 H VAL 10 -7.071 4.519 0.433 66 HA VAL 10 HA VAL 10 -4.598 5.570 -0.779 67 HB VAL 10 HB VAL 10 -3.811 6.224 1.481 68 HG11 VAL 10 HG11 VAL 10 -6.356 7.555 0.576 69 HG12 VAL 10 HG12 VAL 10 -4.732 7.901 -0.019 70 HG13 VAL 10 HG13 VAL 10 -5.155 8.265 1.655 71 HG21 VAL 10 HG21 VAL 10 -5.225 4.783 2.823 72 HG22 VAL 10 HG22 VAL 10 -6.667 5.629 2.261 73 HG23 VAL 10 HG23 VAL 10 -5.492 6.467 3.279 74 H GLU 11 H GLU 11 -5.895 2.748 -0.227 75 HA GLU 11 HA GLU 11 -4.271 1.620 1.831 76 HB2 GLU 11 HB2 GLU 11 -5.704 0.064 -0.315 77 HB3 GLU 11 HB3 GLU 11 -5.284 -0.469 1.303 78 HG2 GLU 11 HG2 GLU 11 -7.382 0.035 1.811 79 HG3 GLU 11 HG3 GLU 11 -6.813 1.712 1.823 80 H CYS 12 H CYS 12 -3.942 1.844 -1.652 81 HA CYS 12 HA CYS 12 -1.642 0.093 -1.652 82 HB2 CYS 12 HB2 CYS 12 -2.678 1.828 -3.893 83 HB3 CYS 12 HB3 CYS 12 -1.493 0.524 -4.026 84 H LYS 13 H LYS 13 -1.994 2.931 -0.361 85 HA LYS 13 HA LYS 13 0.712 3.747 -1.155 86 HB2 LYS 13 HB2 LYS 13 -1.450 5.574 -0.083 87 HB3 LYS 13 HB3 LYS 13 0.137 6.058 -0.664 88 HG2 LYS 13 HG2 LYS 13 -2.151 4.976 -2.298 89 HG3 LYS 13 HG3 LYS 13 -1.496 6.613 -2.322 90 HD2 LYS 13 HD2 LYS 13 0.628 5.731 -3.173 91 HD3 LYS 13 HD3 LYS 13 -0.062 4.110 -3.188 92 HE2 LYS 13 HE2 LYS 13 -1.790 4.915 -4.773 93 HE3 LYS 13 HE3 LYS 13 -0.978 6.481 -4.809 94 HZ1 LYS 13 HZ1 LYS 13 0.973 5.354 -5.649 95 HZ2 LYS 13 HZ2 LYS 13 -0.293 5.138 -6.644 96 HZ3 LYS 13 HZ3 LYS 13 0.183 3.930 -5.666 97 H GLN 14 H GLN 14 -1.653 3.902 1.501 98 HA GLN 14 HA GLN 14 0.300 4.610 3.441 99 HB2 GLN 14 HB2 GLN 14 -2.541 3.639 3.700 100 HB3 GLN 14 HB3 GLN 14 -1.554 4.135 5.069 101 HG2 GLN 14 HG2 GLN 14 -2.297 5.870 2.726 102 HG3 GLN 14 HG3 GLN 14 -3.041 5.916 4.321 103 HE21 GLN 14 HE21 GLN 14 -0.251 6.715 2.438 104 HE22 GLN 14 HE22 GLN 14 0.518 7.714 3.621 105 H LYS 15 H LYS 15 -1.249 1.517 2.591 106 HA LYS 15 HA LYS 15 -0.041 0.081 4.709 107 HB2 LYS 15 HB2 LYS 15 -1.507 -0.644 2.255 108 HB3 LYS 15 HB3 LYS 15 -0.397 -1.858 2.871 109 HG2 LYS 15 HG2 LYS 15 -2.708 -0.602 4.333 110 HG3 LYS 15 HG3 LYS 15 -2.586 -2.262 3.757 111 HD2 LYS 15 HD2 LYS 15 -0.961 -0.979 5.955 112 HD3 LYS 15 HD3 LYS 15 -2.199 -2.217 6.134 113 HE2 LYS 15 HE2 LYS 15 0.419 -2.565 4.673 114 HE3 LYS 15 HE3 LYS 15 0.080 -3.130 6.306 115 HZ1 LYS 15 HZ1 LYS 15 -1.240 -4.048 3.853 116 HZ2 LYS 15 HZ2 LYS 15 -1.661 -4.515 5.348 117 HZ3 LYS 15 HZ3 LYS 15 -0.196 -4.897 4.766 118 H CYS 16 H CYS 16 1.038 1.016 1.535 119 HA CYS 16 HA CYS 16 3.341 -0.687 1.538 120 HB2 CYS 16 HB2 CYS 16 2.165 0.324 -0.505 121 HB3 CYS 16 HB3 CYS 16 2.984 1.822 -0.087 122 H LEU 17 H LEU 17 2.547 2.538 2.574 123 HA LEU 17 HA LEU 17 5.134 3.565 2.957 124 HB2 LEU 17 HB2 LEU 17 2.654 4.588 3.109 125 HB3 LEU 17 HB3 LEU 17 2.939 4.332 4.816 126 HG LEU 17 HG LEU 17 3.437 6.629 4.127 127 HD11 LEU 17 HD11 LEU 17 5.894 5.087 4.932 128 HD12 LEU 17 HD12 LEU 17 4.653 5.710 6.018 129 HD13 LEU 17 HD13 LEU 17 5.665 6.827 5.101 130 HD21 LEU 17 HD21 LEU 17 5.286 7.133 2.663 131 HD22 LEU 17 HD22 LEU 17 4.105 6.125 1.826 132 HD23 LEU 17 HD23 LEU 17 5.603 5.415 2.428 133 H LYS 18 H LYS 18 2.970 1.689 4.967 134 HA LYS 18 HA LYS 18 4.700 1.704 7.256 135 HB2 LYS 18 HB2 LYS 18 2.296 -0.020 6.622 136 HB3 LYS 18 HB3 LYS 18 3.073 0.119 8.194 137 HG2 LYS 18 HG2 LYS 18 2.457 2.451 8.334 138 HG3 LYS 18 HG3 LYS 18 1.763 2.391 6.714 139 HD2 LYS 18 HD2 LYS 18 0.100 0.778 7.476 140 HD3 LYS 18 HD3 LYS 18 0.809 0.799 9.092 141 HE2 LYS 18 HE2 LYS 18 -1.155 2.212 9.027 142 HE3 LYS 18 HE3 LYS 18 0.286 3.191 9.274 143 HZ1 LYS 18 HZ1 LYS 18 -1.139 2.854 6.732 144 HZ2 LYS 18 HZ2 LYS 18 0.221 3.724 6.925 145 HZ3 LYS 18 HZ3 LYS 18 -1.149 4.191 7.662 146 H ALA 19 H ALA 19 4.286 -0.243 4.420 147 HA ALA 19 HA ALA 19 5.543 -2.592 5.420 148 HB1 ALA 19 HB1 ALA 19 4.002 -2.628 3.521 149 HB2 ALA 19 HB2 ALA 19 5.567 -3.328 3.110 150 HB3 ALA 19 HB3 ALA 19 5.162 -1.700 2.569 151 H ILE 20 H ILE 20 6.706 -0.209 3.003 152 HA ILE 20 HA ILE 20 9.436 -0.605 4.017 153 HB ILE 20 HB ILE 20 10.278 -0.717 1.650 154 HG12 ILE 20 HG12 ILE 20 7.390 -1.374 1.041 155 HG13 ILE 20 HG13 ILE 20 8.194 0.129 0.604 156 HG21 ILE 20 HG21 ILE 20 9.830 -3.119 1.387 157 HG22 ILE 20 HG22 ILE 20 8.561 -3.002 2.607 158 HG23 ILE 20 HG23 ILE 20 10.240 -2.693 3.048 159 HD11 ILE 20 HD11 ILE 20 9.733 -1.128 -0.824 160 HD12 ILE 20 HD12 ILE 20 8.046 -1.351 -1.294 161 HD13 ILE 20 HD13 ILE 20 8.891 -2.619 -0.401 162 H GLY 21 H GLY 21 7.323 1.609 3.871 163 HA2 GLY 21 HA2 GLY 21 7.344 3.896 3.620 164 HA3 GLY 21 HA3 GLY 21 9.087 3.776 3.415 165 H SER 22 H SER 22 6.362 2.552 1.526 166 HA SER 22 HA SER 22 7.307 4.093 -0.798 167 HB2 SER 22 HB2 SER 22 6.416 1.197 -0.747 168 HB3 SER 22 HB3 SER 22 6.820 2.096 -2.206 169 HG SER 22 HG SER 22 8.842 2.391 -0.525 170 H ILE 23 H ILE 23 5.591 4.454 -2.401 171 HA ILE 23 HA ILE 23 2.905 4.227 -1.212 172 HB ILE 23 HB ILE 23 2.275 6.271 -2.418 173 HG12 ILE 23 HG12 ILE 23 5.225 6.529 -3.035 174 HG13 ILE 23 HG13 ILE 23 4.000 6.081 -4.217 175 HG21 ILE 23 HG21 ILE 23 2.977 6.391 -0.112 176 HG22 ILE 23 HG22 ILE 23 3.526 7.824 -0.984 177 HG23 ILE 23 HG23 ILE 23 4.662 6.525 -0.611 178 HD11 ILE 23 HD11 ILE 23 4.577 8.416 -4.410 179 HD12 ILE 23 HD12 ILE 23 4.150 8.680 -2.719 180 HD13 ILE 23 HD13 ILE 23 2.906 8.232 -3.882 181 H PHE 24 H PHE 24 3.941 2.167 -2.686 182 HA PHE 24 HA PHE 24 2.358 2.302 -5.133 183 HB2 PHE 24 HB2 PHE 24 5.214 1.297 -5.067 184 HB3 PHE 24 HB3 PHE 24 4.172 1.432 -6.485 185 HD1 PHE 24 HD1 PHE 24 3.373 3.746 -7.156 186 HD2 PHE 24 HD2 PHE 24 6.522 3.111 -4.371 187 HE1 PHE 24 HE1 PHE 24 4.112 6.061 -7.475 188 HE2 PHE 24 HE2 PHE 24 7.290 5.412 -4.698 189 HZ PHE 24 HZ PHE 24 6.089 6.900 -6.260 190 H GLY 25 H GLY 25 1.386 1.158 -3.056 191 HA2 GLY 25 HA2 GLY 25 2.156 -1.561 -2.611 192 HA3 GLY 25 HA3 GLY 25 0.702 -0.760 -2.024 193 H LYS 26 H LYS 26 0.879 -3.426 -3.025 194 HA LYS 26 HA LYS 26 -0.832 -3.222 -5.421 195 HB2 LYS 26 HB2 LYS 26 1.038 -5.493 -4.709 196 HB3 LYS 26 HB3 LYS 26 0.024 -5.396 -6.140 197 HG2 LYS 26 HG2 LYS 26 2.364 -3.621 -5.482 198 HG3 LYS 26 HG3 LYS 26 2.311 -4.888 -6.706 199 HD2 LYS 26 HD2 LYS 26 0.519 -3.635 -7.867 200 HD3 LYS 26 HD3 LYS 26 0.691 -2.343 -6.678 201 HE2 LYS 26 HE2 LYS 26 2.779 -3.301 -8.631 202 HE3 LYS 26 HE3 LYS 26 1.914 -1.767 -8.677 203 HZ1 LYS 26 HZ1 LYS 26 4.050 -1.423 -7.748 204 HZ2 LYS 26 HZ2 LYS 26 3.870 -2.613 -6.663 205 HZ3 LYS 26 HZ3 LYS 26 2.979 -1.261 -6.532 206 H CYS 27 H CYS 27 -2.754 -4.178 -5.299 207 HA CYS 27 HA CYS 27 -4.096 -4.599 -2.979 208 HB2 CYS 27 HB2 CYS 27 -4.637 -5.991 -5.607 209 HB3 CYS 27 HB3 CYS 27 -5.799 -5.756 -4.306 210 H MET 28 H MET 28 -3.612 -5.915 -1.371 211 HA MET 28 HA MET 28 -3.630 -8.776 -1.738 212 HB2 MET 28 HB2 MET 28 -1.137 -7.294 -0.950 213 HB3 MET 28 HB3 MET 28 -1.448 -8.890 -0.290 214 HG2 MET 28 HG2 MET 28 -1.586 -8.528 -3.234 215 HG3 MET 28 HG3 MET 28 -0.006 -8.535 -2.459 216 HE1 MET 28 HE1 MET 28 -3.308 -10.687 -1.573 217 HE2 MET 28 HE2 MET 28 -2.957 -12.093 -2.576 218 HE3 MET 28 HE3 MET 28 -3.221 -10.517 -3.326 219 H ASN 29 H ASN 29 -4.584 -9.688 -0.011 220 HA ASN 29 HA ASN 29 -5.534 -9.962 2.036 221 HB2 ASN 29 HB2 ASN 29 -3.165 -8.292 2.881 222 HB3 ASN 29 HB3 ASN 29 -4.235 -9.126 4.002 223 HD21 ASN 29 HD21 ASN 29 -1.366 -9.435 3.484 224 HD22 ASN 29 HD22 ASN 29 -1.140 -11.104 3.089 225 H LYS 30 H LYS 30 -6.916 -8.229 0.662 226 HA LYS 30 HA LYS 30 -8.596 -6.731 0.888 227 HB2 LYS 30 HB2 LYS 30 -7.630 -6.660 3.727 228 HB3 LYS 30 HB3 LYS 30 -8.894 -5.577 3.164 229 HG2 LYS 30 HG2 LYS 30 -10.332 -7.396 2.639 230 HG3 LYS 30 HG3 LYS 30 -9.038 -8.567 2.899 231 HD2 LYS 30 HD2 LYS 30 -10.045 -6.745 5.069 232 HD3 LYS 30 HD3 LYS 30 -10.745 -8.334 4.760 233 HE2 LYS 30 HE2 LYS 30 -7.856 -7.782 5.434 234 HE3 LYS 30 HE3 LYS 30 -9.069 -8.408 6.548 235 HZ1 LYS 30 HZ1 LYS 30 -8.138 -9.758 4.114 236 HZ2 LYS 30 HZ2 LYS 30 -9.271 -10.333 5.123 237 HZ3 LYS 30 HZ3 LYS 30 -7.740 -10.168 5.637 238 H LYS 31 H LYS 31 -5.439 -5.703 2.072 239 HA LYS 31 HA LYS 31 -6.022 -3.017 1.028 240 HB2 LYS 31 HB2 LYS 31 -3.952 -3.982 2.998 241 HB3 LYS 31 HB3 LYS 31 -3.823 -2.417 2.214 242 HG2 LYS 31 HG2 LYS 31 -4.758 -2.228 4.444 243 HG3 LYS 31 HG3 LYS 31 -5.919 -1.717 3.217 244 HD2 LYS 31 HD2 LYS 31 -7.206 -3.658 3.455 245 HD3 LYS 31 HD3 LYS 31 -5.920 -4.513 4.314 246 HE2 LYS 31 HE2 LYS 31 -7.669 -3.863 5.852 247 HE3 LYS 31 HE3 LYS 31 -6.192 -2.970 6.205 248 HZ1 LYS 31 HZ1 LYS 31 -7.113 -1.097 5.069 249 HZ2 LYS 31 HZ2 LYS 31 -8.144 -1.572 6.233 250 HZ3 LYS 31 HZ3 LYS 31 -8.457 -1.927 4.676 251 H CYS 32 H CYS 32 -2.795 -3.238 1.285 252 HA CYS 32 HA CYS 32 -2.267 -4.416 -1.301 253 HB2 CYS 32 HB2 CYS 32 -1.948 -1.486 -0.706 254 HB3 CYS 32 HB3 CYS 32 -1.175 -2.280 -2.073 255 H LYS 33 H LYS 33 -0.000 -4.659 -1.695 256 HA LYS 33 HA LYS 33 1.748 -4.084 0.589 257 HB2 LYS 33 HB2 LYS 33 2.268 -6.266 0.997 258 HB3 LYS 33 HB3 LYS 33 0.642 -6.496 0.367 259 HG2 LYS 33 HG2 LYS 33 1.470 -7.127 -1.776 260 HG3 LYS 33 HG3 LYS 33 3.120 -6.697 -1.323 261 HD2 LYS 33 HD2 LYS 33 1.496 -8.850 0.023 262 HD3 LYS 33 HD3 LYS 33 2.652 -9.145 -1.276 263 HE2 LYS 33 HE2 LYS 33 3.344 -7.829 1.348 264 HE3 LYS 33 HE3 LYS 33 3.552 -9.545 1.016 265 HZ1 LYS 33 HZ1 LYS 33 5.586 -8.405 0.654 266 HZ2 LYS 33 HZ2 LYS 33 4.906 -7.343 -0.375 267 HZ3 LYS 33 HZ3 LYS 33 5.032 -8.910 -0.791 268 H CYS 34 H CYS 34 3.946 -3.903 0.051 269 HA CYS 34 HA CYS 34 4.573 -4.144 -2.805 270 HB2 CYS 34 HB2 CYS 34 6.367 -2.339 -2.154 271 HB3 CYS 34 HB3 CYS 34 4.698 -1.873 -2.420 Start of MODEL 9 1 H1 GLN 1 H1 GLN 1 -15.521 7.994 2.698 2 H2 GLN 1 H2 GLN 1 -14.848 8.305 4.144 3 H3 GLN 1 H3 GLN 1 -15.946 7.114 3.998 4 HA GLN 1 HA GLN 1 -13.319 7.144 2.735 5 HB2 GLN 1 HB2 GLN 1 -14.342 5.985 5.275 6 HB3 GLN 1 HB3 GLN 1 -13.213 5.015 4.340 7 HG2 GLN 1 HG2 GLN 1 -12.709 7.829 5.277 8 HG3 GLN 1 HG3 GLN 1 -12.101 6.366 6.054 9 HE21 GLN 1 HE21 GLN 1 -10.647 8.602 4.832 10 HE22 GLN 1 HE22 GLN 1 -9.643 7.895 3.612 11 H MET 2 H MET 2 -12.838 5.432 1.420 12 HA MET 2 HA MET 2 -15.106 3.853 0.469 13 HB2 MET 2 HB2 MET 2 -12.271 4.040 -0.568 14 HB3 MET 2 HB3 MET 2 -13.597 3.197 -1.353 15 HG2 MET 2 HG2 MET 2 -13.456 6.159 -0.849 16 HG3 MET 2 HG3 MET 2 -13.113 5.364 -2.383 17 HE1 MET 2 HE1 MET 2 -14.880 7.074 -3.499 18 HE2 MET 2 HE2 MET 2 -15.219 7.770 -1.914 19 HE3 MET 2 HE3 MET 2 -16.547 7.239 -2.945 20 H ASP 3 H ASP 3 -14.784 1.498 0.139 21 HA ASP 3 HA ASP 3 -14.138 0.369 2.658 22 HB2 ASP 3 HB2 ASP 3 -15.922 -0.525 1.194 23 HB3 ASP 3 HB3 ASP 3 -14.696 -1.045 0.043 24 H MET 4 H MET 4 -12.505 -0.970 3.277 25 HA MET 4 HA MET 4 -9.985 -0.624 1.981 26 HB2 MET 4 HB2 MET 4 -9.118 -2.032 3.847 27 HB3 MET 4 HB3 MET 4 -10.005 -0.614 4.377 28 HG2 MET 4 HG2 MET 4 -11.247 -3.334 4.181 29 HG3 MET 4 HG3 MET 4 -10.440 -2.754 5.636 30 HE1 MET 4 HE1 MET 4 -12.686 -3.236 7.011 31 HE2 MET 4 HE2 MET 4 -13.467 -3.797 5.533 32 HE3 MET 4 HE3 MET 4 -14.265 -2.598 6.551 33 H ARG 5 H ARG 5 -11.525 -1.753 0.197 34 HA ARG 5 HA ARG 5 -10.547 -4.524 -0.030 35 HB2 ARG 5 HB2 ARG 5 -12.231 -4.685 -1.881 36 HB3 ARG 5 HB3 ARG 5 -12.933 -4.428 -0.294 37 HG2 ARG 5 HG2 ARG 5 -13.157 -2.028 -0.848 38 HG3 ARG 5 HG3 ARG 5 -12.548 -2.384 -2.465 39 HD2 ARG 5 HD2 ARG 5 -15.034 -3.551 -1.222 40 HD3 ARG 5 HD3 ARG 5 -14.994 -2.264 -2.425 41 HE ARG 5 HE ARG 5 -13.654 -4.242 -3.657 42 HH11 ARG 5 HH11 ARG 5 -16.741 -4.152 -2.022 43 HH12 ARG 5 HH12 ARG 5 -17.434 -5.419 -2.981 44 HH21 ARG 5 HH21 ARG 5 -14.560 -5.915 -4.925 45 HH22 ARG 5 HH22 ARG 5 -16.193 -6.422 -4.634 46 H CYS 6 H CYS 6 -8.677 -2.622 -0.325 47 HA CYS 6 HA CYS 6 -7.178 -1.562 -1.648 48 HB2 CYS 6 HB2 CYS 6 -6.900 -3.890 -2.482 49 HB3 CYS 6 HB3 CYS 6 -8.078 -3.549 -3.746 50 H SER 7 H SER 7 -10.019 -0.750 -1.631 51 HA SER 7 HA SER 7 -9.952 0.921 -4.049 52 HB2 SER 7 HB2 SER 7 -11.725 -0.864 -4.138 53 HB3 SER 7 HB3 SER 7 -12.447 -0.153 -2.697 54 HG SER 7 HG SER 7 -12.094 1.115 -5.219 55 H ALA 8 H ALA 8 -9.246 1.020 -1.024 56 HA ALA 8 HA ALA 8 -11.017 2.929 0.138 57 HB1 ALA 8 HB1 ALA 8 -9.787 1.377 1.522 58 HB2 ALA 8 HB2 ALA 8 -9.360 3.035 1.940 59 HB3 ALA 8 HB3 ALA 8 -8.261 2.059 0.967 60 H SER 9 H SER 9 -8.566 3.166 -2.126 61 HA SER 9 HA SER 9 -7.862 4.925 -3.355 62 HB2 SER 9 HB2 SER 9 -10.108 5.934 -2.796 63 HB3 SER 9 HB3 SER 9 -9.324 6.761 -1.449 64 HG SER 9 HG SER 9 -9.346 8.126 -3.226 65 H VAL 10 H VAL 10 -7.165 4.541 -0.069 66 HA VAL 10 HA VAL 10 -4.704 6.104 -0.460 67 HB VAL 10 HB VAL 10 -4.725 6.711 1.948 68 HG11 VAL 10 HG11 VAL 10 -6.399 8.497 1.747 69 HG12 VAL 10 HG12 VAL 10 -7.073 7.690 0.332 70 HG13 VAL 10 HG13 VAL 10 -5.429 8.327 0.285 71 HG21 VAL 10 HG21 VAL 10 -6.204 4.980 2.788 72 HG22 VAL 10 HG22 VAL 10 -7.546 5.644 1.857 73 HG23 VAL 10 HG23 VAL 10 -6.849 6.573 3.184 74 H GLU 11 H GLU 11 -6.035 3.096 0.352 75 HA GLU 11 HA GLU 11 -4.225 2.409 2.436 76 HB2 GLU 11 HB2 GLU 11 -6.206 0.819 0.840 77 HB3 GLU 11 HB3 GLU 11 -5.113 0.046 1.981 78 HG2 GLU 11 HG2 GLU 11 -7.132 2.186 2.608 79 HG3 GLU 11 HG3 GLU 11 -7.244 0.476 3.027 80 H CYS 12 H CYS 12 -4.108 2.054 -1.052 81 HA CYS 12 HA CYS 12 -2.014 0.110 -0.937 82 HB2 CYS 12 HB2 CYS 12 -2.845 1.894 -3.231 83 HB3 CYS 12 HB3 CYS 12 -1.693 0.560 -3.341 84 H LYS 13 H LYS 13 -2.204 3.540 -0.768 85 HA LYS 13 HA LYS 13 0.629 3.915 -1.158 86 HB2 LYS 13 HB2 LYS 13 -1.382 5.846 0.024 87 HB3 LYS 13 HB3 LYS 13 0.210 6.237 -0.610 88 HG2 LYS 13 HG2 LYS 13 -1.839 5.010 -2.400 89 HG3 LYS 13 HG3 LYS 13 -1.904 6.732 -2.027 90 HD2 LYS 13 HD2 LYS 13 0.402 6.976 -2.835 91 HD3 LYS 13 HD3 LYS 13 0.436 5.259 -3.235 92 HE2 LYS 13 HE2 LYS 13 -1.455 7.293 -4.411 93 HE3 LYS 13 HE3 LYS 13 -0.000 6.684 -5.193 94 HZ1 LYS 13 HZ1 LYS 13 -2.336 5.075 -4.450 95 HZ2 LYS 13 HZ2 LYS 13 -0.986 4.495 -5.143 96 HZ3 LYS 13 HZ3 LYS 13 -1.934 5.529 -5.959 97 H GLN 14 H GLN 14 -1.673 3.911 1.539 98 HA GLN 14 HA GLN 14 0.262 4.628 3.505 99 HB2 GLN 14 HB2 GLN 14 -2.553 3.573 3.695 100 HB3 GLN 14 HB3 GLN 14 -1.582 3.940 5.115 101 HG2 GLN 14 HG2 GLN 14 -2.291 5.900 2.945 102 HG3 GLN 14 HG3 GLN 14 -3.110 5.761 4.499 103 HE21 GLN 14 HE21 GLN 14 -0.659 5.225 5.966 104 HE22 GLN 14 HE22 GLN 14 0.191 6.727 6.060 105 H LYS 15 H LYS 15 -1.294 1.528 2.655 106 HA LYS 15 HA LYS 15 -0.129 -0.021 4.668 107 HB2 LYS 15 HB2 LYS 15 -1.833 -0.527 2.609 108 HB3 LYS 15 HB3 LYS 15 -0.371 -1.303 2.025 109 HG2 LYS 15 HG2 LYS 15 -1.784 -1.878 4.620 110 HG3 LYS 15 HG3 LYS 15 -1.731 -2.907 3.192 111 HD2 LYS 15 HD2 LYS 15 0.696 -3.134 3.449 112 HD3 LYS 15 HD3 LYS 15 0.637 -2.107 4.883 113 HE2 LYS 15 HE2 LYS 15 0.741 -4.406 5.569 114 HE3 LYS 15 HE3 LYS 15 -0.854 -3.767 5.953 115 HZ1 LYS 15 HZ1 LYS 15 -1.750 -4.910 4.119 116 HZ2 LYS 15 HZ2 LYS 15 -0.842 -5.990 4.921 117 HZ3 LYS 15 HZ3 LYS 15 -0.289 -5.334 3.544 118 H CYS 16 H CYS 16 0.980 0.808 1.433 119 HA CYS 16 HA CYS 16 3.345 -0.740 1.489 120 HB2 CYS 16 HB2 CYS 16 2.107 0.385 -0.520 121 HB3 CYS 16 HB3 CYS 16 3.110 1.780 -0.123 122 H LEU 17 H LEU 17 2.571 2.493 2.574 123 HA LEU 17 HA LEU 17 5.269 3.356 2.870 124 HB2 LEU 17 HB2 LEU 17 2.672 4.479 3.079 125 HB3 LEU 17 HB3 LEU 17 3.512 4.806 4.581 126 HG LEU 17 HG LEU 17 4.633 5.468 1.859 127 HD11 LEU 17 HD11 LEU 17 3.217 7.262 3.820 128 HD12 LEU 17 HD12 LEU 17 2.592 6.732 2.256 129 HD13 LEU 17 HD13 LEU 17 4.015 7.771 2.331 130 HD21 LEU 17 HD21 LEU 17 6.322 5.206 3.581 131 HD22 LEU 17 HD22 LEU 17 5.440 6.303 4.641 132 HD23 LEU 17 HD23 LEU 17 6.151 6.905 3.144 133 H LYS 18 H LYS 18 3.000 1.664 4.862 134 HA LYS 18 HA LYS 18 4.742 1.805 7.181 135 HB2 LYS 18 HB2 LYS 18 2.119 0.408 6.664 136 HB3 LYS 18 HB3 LYS 18 3.019 0.224 8.163 137 HG2 LYS 18 HG2 LYS 18 2.824 2.588 8.616 138 HG3 LYS 18 HG3 LYS 18 2.027 2.846 7.064 139 HD2 LYS 18 HD2 LYS 18 0.951 1.101 9.275 140 HD3 LYS 18 HD3 LYS 18 0.459 2.772 8.988 141 HE2 LYS 18 HE2 LYS 18 -0.270 2.120 6.716 142 HE3 LYS 18 HE3 LYS 18 0.142 0.448 7.090 143 HZ1 LYS 18 HZ1 LYS 18 -1.496 0.497 8.830 144 HZ2 LYS 18 HZ2 LYS 18 -2.188 0.888 7.411 145 HZ3 LYS 18 HZ3 LYS 18 -1.867 2.048 8.502 146 H ALA 19 H ALA 19 4.050 -0.305 4.517 147 HA ALA 19 HA ALA 19 5.246 -2.663 5.519 148 HB1 ALA 19 HB1 ALA 19 5.305 -3.405 3.199 149 HB2 ALA 19 HB2 ALA 19 4.941 -1.766 2.657 150 HB3 ALA 19 HB3 ALA 19 3.751 -2.672 3.590 151 H ILE 20 H ILE 20 6.588 -0.738 2.834 152 HA ILE 20 HA ILE 20 9.256 -1.171 4.022 153 HB ILE 20 HB ILE 20 10.212 -1.138 1.789 154 HG12 ILE 20 HG12 ILE 20 7.363 -0.891 0.793 155 HG13 ILE 20 HG13 ILE 20 8.562 0.396 0.766 156 HG21 ILE 20 HG21 ILE 20 9.284 -3.244 0.930 157 HG22 ILE 20 HG22 ILE 20 7.902 -3.063 2.011 158 HG23 ILE 20 HG23 ILE 20 9.519 -3.288 2.677 159 HD11 ILE 20 HD11 ILE 20 8.295 -0.650 -1.415 160 HD12 ILE 20 HD12 ILE 20 8.753 -2.208 -0.728 161 HD13 ILE 20 HD13 ILE 20 9.924 -0.890 -0.782 162 H GLY 21 H GLY 21 6.963 1.136 3.218 163 HA2 GLY 21 HA2 GLY 21 7.227 3.440 3.725 164 HA3 GLY 21 HA3 GLY 21 8.958 3.269 3.469 165 H SER 22 H SER 22 6.203 2.352 1.441 166 HA SER 22 HA SER 22 7.188 4.170 -0.656 167 HB2 SER 22 HB2 SER 22 7.814 1.640 -0.882 168 HB3 SER 22 HB3 SER 22 6.122 1.424 -1.298 169 HG SER 22 HG SER 22 8.086 2.948 -2.649 170 H ILE 23 H ILE 23 5.439 4.374 -2.424 171 HA ILE 23 HA ILE 23 2.781 4.286 -1.157 172 HB ILE 23 HB ILE 23 2.169 6.281 -2.449 173 HG12 ILE 23 HG12 ILE 23 5.108 6.480 -3.123 174 HG13 ILE 23 HG13 ILE 23 3.873 5.937 -4.256 175 HG21 ILE 23 HG21 ILE 23 4.589 6.614 -0.694 176 HG22 ILE 23 HG22 ILE 23 2.912 6.511 -0.157 177 HG23 ILE 23 HG23 ILE 23 3.448 7.893 -1.116 178 HD11 ILE 23 HD11 ILE 23 2.762 8.100 -4.064 179 HD12 ILE 23 HD12 ILE 23 4.425 8.253 -4.631 180 HD13 ILE 23 HD13 ILE 23 4.024 8.642 -2.957 181 H PHE 24 H PHE 24 4.053 2.284 -2.802 182 HA PHE 24 HA PHE 24 2.281 2.357 -5.146 183 HB2 PHE 24 HB2 PHE 24 5.071 1.195 -5.097 184 HB3 PHE 24 HB3 PHE 24 4.017 1.368 -6.498 185 HD1 PHE 24 HD1 PHE 24 3.731 3.507 -7.580 186 HD2 PHE 24 HD2 PHE 24 6.176 3.128 -4.126 187 HE1 PHE 24 HE1 PHE 24 4.689 5.729 -8.013 188 HE2 PHE 24 HE2 PHE 24 7.143 5.337 -4.551 189 HZ PHE 24 HZ PHE 24 6.402 6.646 -6.502 190 H GLY 25 H GLY 25 1.265 1.295 -3.048 191 HA2 GLY 25 HA2 GLY 25 1.951 -1.406 -2.485 192 HA3 GLY 25 HA3 GLY 25 0.491 -0.563 -1.983 193 H LYS 26 H LYS 26 1.047 -3.282 -3.092 194 HA LYS 26 HA LYS 26 -0.708 -3.234 -5.458 195 HB2 LYS 26 HB2 LYS 26 1.151 -5.426 -4.504 196 HB3 LYS 26 HB3 LYS 26 0.225 -5.424 -6.000 197 HG2 LYS 26 HG2 LYS 26 2.438 -3.503 -5.311 198 HG3 LYS 26 HG3 LYS 26 2.580 -4.904 -6.373 199 HD2 LYS 26 HD2 LYS 26 0.923 -3.931 -7.885 200 HD3 LYS 26 HD3 LYS 26 0.771 -2.531 -6.820 201 HE2 LYS 26 HE2 LYS 26 2.234 -2.082 -8.741 202 HE3 LYS 26 HE3 LYS 26 3.093 -1.952 -7.206 203 HZ1 LYS 26 HZ1 LYS 26 4.334 -3.172 -8.879 204 HZ2 LYS 26 HZ2 LYS 26 3.168 -4.302 -8.963 205 HZ3 LYS 26 HZ3 LYS 26 4.013 -4.110 -7.588 206 H CYS 27 H CYS 27 -2.648 -4.218 -5.356 207 HA CYS 27 HA CYS 27 -4.050 -4.575 -3.058 208 HB2 CYS 27 HB2 CYS 27 -4.475 -6.128 -5.617 209 HB3 CYS 27 HB3 CYS 27 -5.682 -5.840 -4.367 210 H MET 28 H MET 28 -3.678 -5.837 -1.358 211 HA MET 28 HA MET 28 -3.418 -8.700 -1.673 212 HB2 MET 28 HB2 MET 28 -1.153 -7.009 -0.644 213 HB3 MET 28 HB3 MET 28 -1.362 -8.666 -0.100 214 HG2 MET 28 HG2 MET 28 -0.977 -7.792 -2.955 215 HG3 MET 28 HG3 MET 28 0.264 -8.484 -1.912 216 HE1 MET 28 HE1 MET 28 -1.068 -12.124 -1.366 217 HE2 MET 28 HE2 MET 28 -1.493 -10.745 -0.356 218 HE3 MET 28 HE3 MET 28 0.161 -10.934 -0.938 219 H ASN 29 H ASN 29 -4.710 -9.533 -0.190 220 HA ASN 29 HA ASN 29 -5.816 -9.929 1.757 221 HB2 ASN 29 HB2 ASN 29 -3.574 -8.311 2.986 222 HB3 ASN 29 HB3 ASN 29 -4.684 -9.358 3.864 223 HD21 ASN 29 HD21 ASN 29 -1.747 -9.398 3.544 224 HD22 ASN 29 HD22 ASN 29 -1.372 -10.980 2.961 225 H LYS 30 H LYS 30 -7.033 -8.109 0.372 226 HA LYS 30 HA LYS 30 -8.616 -6.514 0.432 227 HB2 LYS 30 HB2 LYS 30 -8.106 -6.626 3.394 228 HB3 LYS 30 HB3 LYS 30 -9.279 -5.530 2.679 229 HG2 LYS 30 HG2 LYS 30 -10.356 -7.553 1.633 230 HG3 LYS 30 HG3 LYS 30 -9.304 -8.534 2.652 231 HD2 LYS 30 HD2 LYS 30 -11.462 -8.284 3.713 232 HD3 LYS 30 HD3 LYS 30 -10.242 -7.415 4.643 233 HE2 LYS 30 HE2 LYS 30 -12.303 -6.114 4.437 234 HE3 LYS 30 HE3 LYS 30 -10.954 -5.311 3.641 235 HZ1 LYS 30 HZ1 LYS 30 -13.060 -6.854 2.300 236 HZ2 LYS 30 HZ2 LYS 30 -11.801 -6.160 1.547 237 HZ3 LYS 30 HZ3 LYS 30 -12.911 -5.233 2.288 238 H LYS 31 H LYS 31 -5.606 -5.744 2.072 239 HA LYS 31 HA LYS 31 -5.922 -2.977 1.151 240 HB2 LYS 31 HB2 LYS 31 -4.214 -4.192 3.303 241 HB3 LYS 31 HB3 LYS 31 -3.738 -2.672 2.562 242 HG2 LYS 31 HG2 LYS 31 -4.929 -2.190 4.566 243 HG3 LYS 31 HG3 LYS 31 -5.938 -1.725 3.196 244 HD2 LYS 31 HD2 LYS 31 -7.452 -2.813 4.563 245 HD3 LYS 31 HD3 LYS 31 -6.954 -4.102 3.467 246 HE2 LYS 31 HE2 LYS 31 -6.970 -4.984 5.686 247 HE3 LYS 31 HE3 LYS 31 -5.289 -4.809 5.186 248 HZ1 LYS 31 HZ1 LYS 31 -5.155 -2.816 6.468 249 HZ2 LYS 31 HZ2 LYS 31 -5.697 -4.009 7.428 250 HZ3 LYS 31 HZ3 LYS 31 -6.732 -2.889 6.868 251 H CYS 32 H CYS 32 -2.710 -3.402 1.570 252 HA CYS 32 HA CYS 32 -2.231 -4.580 -1.029 253 HB2 CYS 32 HB2 CYS 32 -1.556 -1.712 -0.389 254 HB3 CYS 32 HB3 CYS 32 -0.917 -2.590 -1.774 255 H LYS 33 H LYS 33 0.020 -4.819 -1.525 256 HA LYS 33 HA LYS 33 1.911 -4.530 0.688 257 HB2 LYS 33 HB2 LYS 33 1.570 -6.776 1.017 258 HB3 LYS 33 HB3 LYS 33 1.048 -7.051 -0.639 259 HG2 LYS 33 HG2 LYS 33 3.373 -6.909 -1.390 260 HG3 LYS 33 HG3 LYS 33 3.888 -6.655 0.279 261 HD2 LYS 33 HD2 LYS 33 2.407 -9.094 -0.699 262 HD3 LYS 33 HD3 LYS 33 4.157 -9.000 -0.510 263 HE2 LYS 33 HE2 LYS 33 3.842 -8.501 1.885 264 HE3 LYS 33 HE3 LYS 33 2.101 -8.684 1.674 265 HZ1 LYS 33 HZ1 LYS 33 3.174 -10.679 2.516 266 HZ2 LYS 33 HZ2 LYS 33 4.065 -10.800 1.162 267 HZ3 LYS 33 HZ3 LYS 33 2.449 -10.953 1.084 268 H CYS 34 H CYS 34 3.932 -3.938 0.000 269 HA CYS 34 HA CYS 34 4.235 -2.849 -2.574 270 HB2 CYS 34 HB2 CYS 34 6.466 -3.610 -0.682 271 HB3 CYS 34 HB3 CYS 34 6.489 -2.350 -1.917 Start of MODEL 10 1 H1 GLN 1 H1 GLN 1 -17.019 7.109 -2.875 2 H2 GLN 1 H2 GLN 1 -16.320 7.701 -1.534 3 H3 GLN 1 H3 GLN 1 -17.202 6.346 -1.453 4 HA GLN 1 HA GLN 1 -15.663 5.144 -2.781 5 HB2 GLN 1 HB2 GLN 1 -13.522 6.202 -3.386 6 HB3 GLN 1 HB3 GLN 1 -14.885 6.997 -4.157 7 HG2 GLN 1 HG2 GLN 1 -14.758 8.839 -2.665 8 HG3 GLN 1 HG3 GLN 1 -13.594 8.003 -1.638 9 HE21 GLN 1 HE21 GLN 1 -14.082 9.661 -4.656 10 HE22 GLN 1 HE22 GLN 1 -12.407 9.909 -5.015 11 H MET 2 H MET 2 -13.240 4.708 -2.007 12 HA MET 2 HA MET 2 -11.856 4.057 -0.348 13 HB2 MET 2 HB2 MET 2 -13.083 6.376 1.140 14 HB3 MET 2 HB3 MET 2 -11.699 5.449 1.698 15 HG2 MET 2 HG2 MET 2 -10.409 6.156 -0.237 16 HG3 MET 2 HG3 MET 2 -11.805 7.023 -0.867 17 HE1 MET 2 HE1 MET 2 -9.366 6.756 2.212 18 HE2 MET 2 HE2 MET 2 -10.955 6.905 2.965 19 HE3 MET 2 HE3 MET 2 -9.785 8.215 3.110 20 H ASP 3 H ASP 3 -12.564 2.076 0.121 21 HA ASP 3 HA ASP 3 -14.726 1.784 2.107 22 HB2 ASP 3 HB2 ASP 3 -15.103 0.911 -0.253 23 HB3 ASP 3 HB3 ASP 3 -13.861 -0.285 0.084 24 H MET 4 H MET 4 -11.574 1.822 2.026 25 HA MET 4 HA MET 4 -9.763 0.778 2.854 26 HB2 MET 4 HB2 MET 4 -9.888 0.211 5.245 27 HB3 MET 4 HB3 MET 4 -10.583 1.770 4.862 28 HG2 MET 4 HG2 MET 4 -12.071 0.933 6.388 29 HG3 MET 4 HG3 MET 4 -12.830 0.498 4.861 30 HE1 MET 4 HE1 MET 4 -13.509 -0.776 7.766 31 HE2 MET 4 HE2 MET 4 -13.732 -2.464 7.303 32 HE3 MET 4 HE3 MET 4 -14.374 -1.177 6.283 33 H ARG 5 H ARG 5 -11.425 -0.994 1.223 34 HA ARG 5 HA ARG 5 -10.459 -3.527 2.342 35 HB2 ARG 5 HB2 ARG 5 -13.101 -3.038 0.984 36 HB3 ARG 5 HB3 ARG 5 -12.442 -4.631 1.323 37 HG2 ARG 5 HG2 ARG 5 -12.404 -4.115 3.694 38 HG3 ARG 5 HG3 ARG 5 -13.096 -2.529 3.354 39 HD2 ARG 5 HD2 ARG 5 -14.851 -4.017 4.068 40 HD3 ARG 5 HD3 ARG 5 -15.062 -3.653 2.356 41 HE ARG 5 HE ARG 5 -13.651 -5.945 2.292 42 HH11 ARG 5 HH11 ARG 5 -16.563 -5.004 3.984 43 HH12 ARG 5 HH12 ARG 5 -17.214 -6.610 4.024 44 HH21 ARG 5 HH21 ARG 5 -14.510 -8.068 2.328 45 HH22 ARG 5 HH22 ARG 5 -16.046 -8.355 3.090 46 H CYS 6 H CYS 6 -8.779 -2.372 0.751 47 HA CYS 6 HA CYS 6 -7.324 -3.148 -0.791 48 HB2 CYS 6 HB2 CYS 6 -8.284 -5.398 -0.185 49 HB3 CYS 6 HB3 CYS 6 -9.407 -5.214 -1.524 50 H SER 7 H SER 7 -9.478 -1.219 -1.247 51 HA SER 7 HA SER 7 -9.140 -0.772 -4.039 52 HB2 SER 7 HB2 SER 7 -11.810 -1.739 -3.031 53 HB3 SER 7 HB3 SER 7 -11.625 -0.814 -4.513 54 HG SER 7 HG SER 7 -9.898 -2.940 -4.312 55 H ALA 8 H ALA 8 -9.219 0.369 -1.155 56 HA ALA 8 HA ALA 8 -11.238 2.402 -1.238 57 HB1 ALA 8 HB1 ALA 8 -10.439 1.419 0.860 58 HB2 ALA 8 HB2 ALA 8 -10.331 3.179 0.843 59 HB3 ALA 8 HB3 ALA 8 -8.879 2.203 0.610 60 H SER 9 H SER 9 -8.381 2.194 -2.870 61 HA SER 9 HA SER 9 -7.314 3.687 -4.218 62 HB2 SER 9 HB2 SER 9 -9.320 5.698 -3.150 63 HB3 SER 9 HB3 SER 9 -8.279 5.917 -4.564 64 HG SER 9 HG SER 9 -9.357 3.890 -5.335 65 H VAL 10 H VAL 10 -6.773 3.319 -1.252 66 HA VAL 10 HA VAL 10 -4.838 5.492 -1.034 67 HB VAL 10 HB VAL 10 -6.864 6.355 0.071 68 HG11 VAL 10 HG11 VAL 10 -7.869 4.297 0.832 69 HG12 VAL 10 HG12 VAL 10 -7.608 5.375 2.204 70 HG13 VAL 10 HG13 VAL 10 -6.522 4.012 1.934 71 HG21 VAL 10 HG21 VAL 10 -4.695 7.123 0.829 72 HG22 VAL 10 HG22 VAL 10 -4.580 5.764 1.947 73 HG23 VAL 10 HG23 VAL 10 -5.810 7.005 2.191 74 H GLU 11 H GLU 11 -5.972 2.337 0.040 75 HA GLU 11 HA GLU 11 -4.076 1.879 2.065 76 HB2 GLU 11 HB2 GLU 11 -5.053 -0.359 0.339 77 HB3 GLU 11 HB3 GLU 11 -4.809 -0.326 2.070 78 HG2 GLU 11 HG2 GLU 11 -7.040 -0.264 2.100 79 HG3 GLU 11 HG3 GLU 11 -6.771 1.467 1.881 80 H CYS 12 H CYS 12 -3.954 1.564 -1.408 81 HA CYS 12 HA CYS 12 -1.555 0.059 -1.515 82 HB2 CYS 12 HB2 CYS 12 -2.752 1.862 -3.627 83 HB3 CYS 12 HB3 CYS 12 -1.502 0.645 -3.889 84 H LYS 13 H LYS 13 -2.033 3.123 -0.412 85 HA LYS 13 HA LYS 13 0.732 3.821 -1.107 86 HB2 LYS 13 HB2 LYS 13 -1.297 5.754 0.014 87 HB3 LYS 13 HB3 LYS 13 0.228 6.126 -0.770 88 HG2 LYS 13 HG2 LYS 13 -2.262 5.064 -2.091 89 HG3 LYS 13 HG3 LYS 13 -1.599 6.688 -2.220 90 HD2 LYS 13 HD2 LYS 13 0.417 5.750 -3.274 91 HD3 LYS 13 HD3 LYS 13 -0.338 4.157 -3.231 92 HE2 LYS 13 HE2 LYS 13 -0.609 5.173 -5.423 93 HE3 LYS 13 HE3 LYS 13 -2.170 4.995 -4.626 94 HZ1 LYS 13 HZ1 LYS 13 -1.939 7.139 -5.666 95 HZ2 LYS 13 HZ2 LYS 13 -0.623 7.485 -4.777 96 HZ3 LYS 13 HZ3 LYS 13 -2.067 7.317 -4.055 97 H GLN 14 H GLN 14 -1.669 3.934 1.505 98 HA GLN 14 HA GLN 14 0.229 4.760 3.460 99 HB2 GLN 14 HB2 GLN 14 -2.592 3.737 3.724 100 HB3 GLN 14 HB3 GLN 14 -1.643 4.368 5.064 101 HG2 GLN 14 HG2 GLN 14 -2.390 5.902 2.584 102 HG3 GLN 14 HG3 GLN 14 -3.189 6.027 4.147 103 HE21 GLN 14 HE21 GLN 14 -0.372 6.829 2.303 104 HE22 GLN 14 HE22 GLN 14 0.310 7.936 3.442 105 H LYS 15 H LYS 15 -1.141 1.616 2.582 106 HA LYS 15 HA LYS 15 -0.204 0.211 4.852 107 HB2 LYS 15 HB2 LYS 15 -1.796 -0.439 2.769 108 HB3 LYS 15 HB3 LYS 15 -0.311 -1.224 2.268 109 HG2 LYS 15 HG2 LYS 15 -1.767 -1.694 4.863 110 HG3 LYS 15 HG3 LYS 15 -1.733 -2.770 3.468 111 HD2 LYS 15 HD2 LYS 15 0.716 -2.985 3.733 112 HD3 LYS 15 HD3 LYS 15 0.625 -1.972 5.173 113 HE2 LYS 15 HE2 LYS 15 0.705 -4.252 5.879 114 HE3 LYS 15 HE3 LYS 15 -0.927 -3.651 6.169 115 HZ1 LYS 15 HZ1 LYS 15 -0.894 -5.843 5.163 116 HZ2 LYS 15 HZ2 LYS 15 -0.135 -5.264 3.852 117 HZ3 LYS 15 HZ3 LYS 15 -1.644 -4.769 4.201 118 H CYS 16 H CYS 16 1.117 0.684 1.612 119 HA CYS 16 HA CYS 16 3.470 -0.784 1.988 120 HB2 CYS 16 HB2 CYS 16 2.654 1.382 0.094 121 HB3 CYS 16 HB3 CYS 16 4.289 0.733 0.074 122 H LEU 17 H LEU 17 2.648 2.515 2.806 123 HA LEU 17 HA LEU 17 5.262 3.432 3.305 124 HB2 LEU 17 HB2 LEU 17 2.749 4.535 3.371 125 HB3 LEU 17 HB3 LEU 17 3.164 4.483 5.071 126 HG LEU 17 HG LEU 17 3.732 6.644 4.150 127 HD11 LEU 17 HD11 LEU 17 6.116 6.745 4.726 128 HD12 LEU 17 HD12 LEU 17 6.185 4.984 4.699 129 HD13 LEU 17 HD13 LEU 17 5.187 5.809 5.895 130 HD21 LEU 17 HD21 LEU 17 5.412 6.884 2.391 131 HD22 LEU 17 HD22 LEU 17 3.986 6.014 1.826 132 HD23 LEU 17 HD23 LEU 17 5.464 5.131 2.207 133 H LYS 18 H LYS 18 2.928 1.659 5.232 134 HA LYS 18 HA LYS 18 4.540 1.667 7.617 135 HB2 LYS 18 HB2 LYS 18 2.204 -0.106 6.869 136 HB3 LYS 18 HB3 LYS 18 2.884 0.088 8.479 137 HG2 LYS 18 HG2 LYS 18 2.168 2.385 8.557 138 HG3 LYS 18 HG3 LYS 18 1.597 2.296 6.889 139 HD2 LYS 18 HD2 LYS 18 -0.036 0.587 7.550 140 HD3 LYS 18 HD3 LYS 18 0.528 0.703 9.218 141 HE2 LYS 18 HE2 LYS 18 -0.139 3.064 9.266 142 HE3 LYS 18 HE3 LYS 18 -0.721 2.927 7.608 143 HZ1 LYS 18 HZ1 LYS 18 -2.304 1.298 8.375 144 HZ2 LYS 18 HZ2 LYS 18 -2.502 2.693 9.183 145 HZ3 LYS 18 HZ3 LYS 18 -1.769 1.436 9.908 146 H ALA 19 H ALA 19 4.078 -0.372 4.834 147 HA ALA 19 HA ALA 19 5.345 -2.697 5.850 148 HB1 ALA 19 HB1 ALA 19 5.323 -3.491 3.563 149 HB2 ALA 19 HB2 ALA 19 4.964 -1.868 2.978 150 HB3 ALA 19 HB3 ALA 19 3.780 -2.733 3.957 151 H ILE 20 H ILE 20 6.534 -0.646 3.178 152 HA ILE 20 HA ILE 20 9.270 -1.148 4.163 153 HB ILE 20 HB ILE 20 10.044 -1.243 1.831 154 HG12 ILE 20 HG12 ILE 20 7.106 -1.257 1.101 155 HG13 ILE 20 HG13 ILE 20 8.184 0.115 0.872 156 HG21 ILE 20 HG21 ILE 20 9.551 -3.319 2.988 157 HG22 ILE 20 HG22 ILE 20 9.138 -3.457 1.279 158 HG23 ILE 20 HG23 ILE 20 7.866 -3.226 2.478 159 HD11 ILE 20 HD11 ILE 20 7.843 -1.107 -1.197 160 HD12 ILE 20 HD12 ILE 20 8.457 -2.579 -0.441 161 HD13 ILE 20 HD13 ILE 20 9.527 -1.198 -0.679 162 H GLY 21 H GLY 21 6.980 1.165 3.271 163 HA2 GLY 21 HA2 GLY 21 7.316 3.503 3.473 164 HA3 GLY 21 HA3 GLY 21 9.037 3.249 3.211 165 H SER 22 H SER 22 6.066 2.450 1.437 166 HA SER 22 HA SER 22 7.088 3.898 -0.892 167 HB2 SER 22 HB2 SER 22 7.730 1.507 -1.180 168 HB3 SER 22 HB3 SER 22 6.038 1.052 -0.995 169 HG SER 22 HG SER 22 7.075 1.445 -3.218 170 H ILE 23 H ILE 23 5.353 4.226 -2.521 171 HA ILE 23 HA ILE 23 2.660 4.108 -1.347 172 HB ILE 23 HB ILE 23 2.117 6.270 -2.364 173 HG12 ILE 23 HG12 ILE 23 5.071 6.440 -2.983 174 HG13 ILE 23 HG13 ILE 23 3.803 6.185 -4.178 175 HG21 ILE 23 HG21 ILE 23 3.423 7.675 -0.823 176 HG22 ILE 23 HG22 ILE 23 4.503 6.310 -0.532 177 HG23 ILE 23 HG23 ILE 23 2.808 6.213 -0.052 178 HD11 ILE 23 HD11 ILE 23 4.538 8.489 -4.137 179 HD12 ILE 23 HD12 ILE 23 4.117 8.603 -2.429 180 HD13 ILE 23 HD13 ILE 23 2.855 8.350 -3.632 181 H PHE 24 H PHE 24 3.946 2.291 -3.122 182 HA PHE 24 HA PHE 24 2.238 2.607 -5.485 183 HB2 PHE 24 HB2 PHE 24 5.077 1.556 -5.551 184 HB3 PHE 24 HB3 PHE 24 4.027 1.868 -6.934 185 HD1 PHE 24 HD1 PHE 24 3.449 4.198 -7.541 186 HD2 PHE 24 HD2 PHE 24 6.283 3.322 -4.492 187 HE1 PHE 24 HE1 PHE 24 4.249 6.518 -7.622 188 HE2 PHE 24 HE2 PHE 24 7.101 5.630 -4.578 189 HZ PHE 24 HZ PHE 24 6.092 7.236 -6.153 190 H GLY 25 H GLY 25 1.261 1.350 -3.529 191 HA2 GLY 25 HA2 GLY 25 2.141 -1.314 -3.082 192 HA3 GLY 25 HA3 GLY 25 0.681 -0.562 -2.463 193 H LYS 26 H LYS 26 1.048 -3.213 -3.353 194 HA LYS 26 HA LYS 26 -0.717 -3.353 -5.705 195 HB2 LYS 26 HB2 LYS 26 1.141 -5.416 -4.488 196 HB3 LYS 26 HB3 LYS 26 0.084 -5.710 -5.865 197 HG2 LYS 26 HG2 LYS 26 2.314 -3.685 -5.795 198 HG3 LYS 26 HG3 LYS 26 2.415 -5.289 -6.518 199 HD2 LYS 26 HD2 LYS 26 0.459 -3.152 -7.355 200 HD3 LYS 26 HD3 LYS 26 1.985 -3.491 -8.171 201 HE2 LYS 26 HE2 LYS 26 -0.322 -5.405 -7.836 202 HE3 LYS 26 HE3 LYS 26 0.122 -4.565 -9.319 203 HZ1 LYS 26 HZ1 LYS 26 0.971 -6.784 -9.329 204 HZ2 LYS 26 HZ2 LYS 26 1.755 -6.565 -7.924 205 HZ3 LYS 26 HZ3 LYS 26 2.227 -5.752 -9.247 206 H CYS 27 H CYS 27 -2.751 -4.032 -5.372 207 HA CYS 27 HA CYS 27 -4.000 -4.316 -2.954 208 HB2 CYS 27 HB2 CYS 27 -5.258 -4.067 -4.988 209 HB3 CYS 27 HB3 CYS 27 -4.669 -5.608 -5.601 210 H MET 28 H MET 28 -3.663 -5.689 -1.324 211 HA MET 28 HA MET 28 -3.415 -8.522 -1.689 212 HB2 MET 28 HB2 MET 28 -0.977 -6.863 -1.184 213 HB3 MET 28 HB3 MET 28 -1.102 -8.441 -0.424 214 HG2 MET 28 HG2 MET 28 -1.292 -7.935 -3.383 215 HG3 MET 28 HG3 MET 28 0.165 -8.449 -2.538 216 HE1 MET 28 HE1 MET 28 0.486 -10.808 -1.422 217 HE2 MET 28 HE2 MET 28 -0.785 -12.025 -1.305 218 HE3 MET 28 HE3 MET 28 -0.922 -10.516 -0.402 219 H ASN 29 H ASN 29 -4.218 -9.474 0.049 220 HA ASN 29 HA ASN 29 -4.830 -9.949 2.178 221 HB2 ASN 29 HB2 ASN 29 -2.500 -8.165 2.890 222 HB3 ASN 29 HB3 ASN 29 -3.301 -9.288 3.983 223 HD21 ASN 29 HD21 ASN 29 -0.530 -9.195 3.165 224 HD22 ASN 29 HD22 ASN 29 -0.187 -10.727 2.439 225 H LYS 30 H LYS 30 -6.556 -8.306 1.266 226 HA LYS 30 HA LYS 30 -8.306 -7.054 1.981 227 HB2 LYS 30 HB2 LYS 30 -6.739 -6.874 4.551 228 HB3 LYS 30 HB3 LYS 30 -8.327 -6.154 4.328 229 HG2 LYS 30 HG2 LYS 30 -9.293 -8.339 3.922 230 HG3 LYS 30 HG3 LYS 30 -7.701 -9.086 4.048 231 HD2 LYS 30 HD2 LYS 30 -8.991 -9.347 6.117 232 HD3 LYS 30 HD3 LYS 30 -7.536 -8.384 6.374 233 HE2 LYS 30 HE2 LYS 30 -9.452 -7.424 7.540 234 HE3 LYS 30 HE3 LYS 30 -8.857 -6.339 6.286 235 HZ1 LYS 30 HZ1 LYS 30 -10.649 -7.104 4.882 236 HZ2 LYS 30 HZ2 LYS 30 -11.238 -6.479 6.259 237 HZ3 LYS 30 HZ3 LYS 30 -11.200 -8.089 6.056 238 H LYS 31 H LYS 31 -5.079 -5.770 2.289 239 HA LYS 31 HA LYS 31 -6.152 -3.189 1.369 240 HB2 LYS 31 HB2 LYS 31 -3.994 -3.707 3.389 241 HB3 LYS 31 HB3 LYS 31 -3.923 -2.261 2.396 242 HG2 LYS 31 HG2 LYS 31 -4.939 -1.684 4.460 243 HG3 LYS 31 HG3 LYS 31 -6.193 -1.665 3.221 244 HD2 LYS 31 HD2 LYS 31 -6.834 -3.959 3.926 245 HD3 LYS 31 HD3 LYS 31 -5.683 -3.820 5.259 246 HE2 LYS 31 HE2 LYS 31 -8.109 -2.098 4.768 247 HE3 LYS 31 HE3 LYS 31 -7.901 -3.290 6.049 248 HZ1 LYS 31 HZ1 LYS 31 -6.100 -1.909 6.894 249 HZ2 LYS 31 HZ2 LYS 31 -7.514 -1.116 6.893 250 HZ3 LYS 31 HZ3 LYS 31 -6.402 -0.787 5.756 251 H CYS 32 H CYS 32 -2.815 -3.188 1.571 252 HA CYS 32 HA CYS 32 -2.382 -4.387 -1.030 253 HB2 CYS 32 HB2 CYS 32 -1.869 -1.487 -0.409 254 HB3 CYS 32 HB3 CYS 32 -1.194 -2.316 -1.805 255 H LYS 33 H LYS 33 -0.077 -4.434 -1.583 256 HA LYS 33 HA LYS 33 1.816 -4.075 0.597 257 HB2 LYS 33 HB2 LYS 33 1.355 -6.273 1.156 258 HB3 LYS 33 HB3 LYS 33 0.930 -6.712 -0.495 259 HG2 LYS 33 HG2 LYS 33 3.306 -6.603 -1.112 260 HG3 LYS 33 HG3 LYS 33 3.707 -6.250 0.573 261 HD2 LYS 33 HD2 LYS 33 2.712 -8.404 1.236 262 HD3 LYS 33 HD3 LYS 33 2.370 -8.750 -0.462 263 HE2 LYS 33 HE2 LYS 33 5.095 -8.329 0.761 264 HE3 LYS 33 HE3 LYS 33 4.409 -9.873 0.264 265 HZ1 LYS 33 HZ1 LYS 33 5.003 -7.628 -1.542 266 HZ2 LYS 33 HZ2 LYS 33 4.400 -9.073 -1.992 267 HZ3 LYS 33 HZ3 LYS 33 5.902 -8.978 -1.386 268 H CYS 34 H CYS 34 3.829 -3.568 -0.168 269 HA CYS 34 HA CYS 34 4.269 -3.785 -3.055 270 HB2 CYS 34 HB2 CYS 34 5.866 -2.347 -0.925 271 HB3 CYS 34 HB3 CYS 34 6.243 -2.338 -2.647
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