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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 | cing | stage | position | program | type |
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11884 |
1s6x ![]() ![]() |
cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLU 1 1HT GLU 1 -7.715 7.001 -4.355 2 2H GLU 1 2HT GLU 1 -9.350 6.678 -4.692 3 3H GLU 1 3HT GLU 1 -8.239 5.400 -4.555 4 HA GLU 1 HA GLU 1 -9.382 7.084 -2.408 5 1HB GLU 1 2HB GLU 1 -9.627 4.433 -3.500 6 2HB GLU 1 1HB GLU 1 -9.069 4.326 -1.830 7 1HG GLU 1 2HG GLU 1 -11.448 5.977 -2.727 8 2HG GLU 1 1HG GLU 1 -11.565 4.361 -2.030 9 H CYS 2 H CYS 2 -8.436 5.479 -0.355 10 HA CYS 2 HA CYS 2 -5.473 5.451 -0.462 11 1HB CYS 2 2HB CYS 2 -6.509 7.784 0.116 12 2HB CYS 2 1HB CYS 2 -6.882 7.045 1.672 13 H GLY 3 H GLY 3 -5.169 3.383 0.346 14 1HA GLY 3 2HA GLY 3 -6.872 2.549 2.649 15 2HA GLY 3 1HA GLY 3 -6.085 1.430 1.537 16 H LYS 4 H LYS 4 -5.903 1.782 4.527 17 HA LYS 4 HA LYS 4 -3.181 2.698 5.066 18 1HB LYS 4 2HB LYS 4 -5.580 1.756 6.475 19 2HB LYS 4 1HB LYS 4 -4.081 1.205 7.222 20 1HG LYS 4 2HG LYS 4 -4.638 4.086 6.465 21 2HG LYS 4 1HG LYS 4 -4.861 3.427 8.088 22 1HD LYS 4 2HD LYS 4 -2.271 2.651 7.154 23 2HD LYS 4 1HD LYS 4 -2.452 4.388 6.903 24 1HE LYS 4 2HE LYS 4 -3.530 3.597 9.491 25 2HE LYS 4 1HE LYS 4 -1.822 3.139 9.331 26 1HZ LYS 4 1HZ LYS 4 -1.191 5.295 8.867 27 2HZ LYS 4 2HZ LYS 4 -2.408 5.546 10.024 28 3HZ LYS 4 3HZ LYS 4 -2.744 5.768 8.375 29 H PHE 5 H PHE 5 -1.550 1.187 6.012 30 HA PHE 5 HA PHE 5 -0.748 -0.909 4.414 31 1HB PHE 5 2HB PHE 5 0.439 0.188 6.349 32 2HB PHE 5 1HB PHE 5 -0.527 -0.810 7.434 33 HD1 PHE 5 1HD PHE 5 0.359 -2.855 8.129 34 HD2 PHE 5 2HD PHE 5 1.641 -1.191 4.378 35 HE1 PHE 5 1HE PHE 5 1.987 -4.702 7.864 36 HE2 PHE 5 2HE PHE 5 3.269 -3.041 4.120 37 HZ PHE 5 HZ PHE 5 3.444 -4.791 5.857 38 H MET 6 H MET 6 -1.019 -3.194 4.485 39 HA MET 6 HA MET 6 -2.088 -5.238 4.935 40 1HB MET 6 2HB MET 6 -3.595 -3.818 7.131 41 2HB MET 6 1HB MET 6 -3.094 -5.504 7.066 42 1HG MET 6 2HG MET 6 -0.672 -4.497 6.960 43 2HG MET 6 1HG MET 6 -1.440 -3.067 7.650 44 1HE MET 6 1HE MET 6 -1.486 -7.161 8.346 45 2HE MET 6 2HE MET 6 -0.205 -6.902 9.527 46 3HE MET 6 3HE MET 6 -0.017 -6.291 7.886 47 H TRP 7 H TRP 7 -3.564 -2.464 3.876 48 HA TRP 7 HA TRP 7 -6.345 -3.298 3.905 49 1HB TRP 7 2HB TRP 7 -4.656 -1.161 2.710 50 2HB TRP 7 1HB TRP 7 -6.180 -1.502 1.905 51 HD1 TRP 7 HD TRP 7 -5.372 -1.488 5.692 52 HE1 TRP 7 1HE TRP 7 -7.054 0.120 6.832 53 HE3 TRP 7 3HE TRP 7 -7.840 0.236 1.604 54 HZ2 TRP 7 2HZ TRP 7 -9.141 1.886 6.104 55 HZ3 TRP 7 3HZ TRP 7 -9.687 1.889 1.835 56 HH2 TRP 7 HH TRP 7 -10.342 2.717 4.082 57 H LYS 8 H LYS 8 -7.261 -4.809 2.567 58 HA LYS 8 HA LYS 8 -5.901 -6.350 0.637 59 1HB LYS 8 2HB LYS 8 -8.198 -6.669 1.750 60 2HB LYS 8 1HB LYS 8 -8.829 -5.566 0.526 61 1HG LYS 8 2HG LYS 8 -8.557 -7.081 -1.180 62 2HG LYS 8 1HG LYS 8 -7.135 -7.816 -0.440 63 1HD LYS 8 2HD LYS 8 -9.902 -8.136 0.736 64 2HD LYS 8 1HD LYS 8 -9.261 -9.248 -0.474 65 1HE LYS 8 2HE LYS 8 -7.198 -9.447 1.102 66 2HE LYS 8 1HE LYS 8 -8.275 -8.764 2.337 67 1HZ LYS 8 1HZ LYS 8 -8.443 -11.323 0.942 68 2HZ LYS 8 2HZ LYS 8 -9.910 -10.518 1.238 69 3HZ LYS 8 3HZ LYS 8 -8.886 -10.927 2.530 70 H CYS 9 H CYS 9 -5.589 -6.053 -1.616 71 HA CYS 9 HA CYS 9 -6.538 -3.456 -2.758 72 1HB CYS 9 2HB CYS 9 -4.177 -3.363 -3.747 73 2HB CYS 9 1HB CYS 9 -4.302 -3.094 -2.008 74 H LYS 10 H LYS 10 -6.268 -3.413 -5.157 75 HA LYS 10 HA LYS 10 -6.803 -6.108 -6.342 76 1HB LYS 10 2HB LYS 10 -8.079 -4.850 -7.987 77 2HB LYS 10 1HB LYS 10 -8.544 -4.277 -6.385 78 1HG LYS 10 2HG LYS 10 -6.843 -2.434 -6.636 79 2HG LYS 10 1HG LYS 10 -6.617 -2.950 -8.308 80 1HD LYS 10 2HD LYS 10 -9.386 -2.763 -8.031 81 2HD LYS 10 1HD LYS 10 -8.773 -1.370 -7.140 82 1HE LYS 10 2HE LYS 10 -7.976 -0.350 -9.033 83 2HE LYS 10 1HE LYS 10 -7.474 -1.890 -9.764 84 1HZ LYS 10 1HZ LYS 10 -9.400 -1.023 -10.922 85 2HZ LYS 10 2HZ LYS 10 -10.269 -0.919 -9.465 86 3HZ LYS 10 3HZ LYS 10 -9.824 -2.436 -10.085 87 H ASN 11 H ASN 11 -4.865 -3.183 -6.561 88 HA ASN 11 HA ASN 11 -2.786 -4.541 -8.076 89 1HB ASN 11 2HB ASN 11 -4.796 -3.942 -9.652 90 2HB ASN 11 1HB ASN 11 -4.161 -2.300 -9.540 91 1HD2 ASN 11 1HD2 ASN 11 -2.046 -1.869 -10.483 92 2HD2 ASN 11 2HD2 ASN 11 -1.299 -2.978 -11.528 93 H SER 12 H SER 12 -4.184 -1.467 -6.998 94 HA SER 12 HA SER 12 -1.961 -0.534 -5.585 95 1HB SER 12 2HB SER 12 -0.569 -0.533 -7.458 96 2HB SER 12 1HB SER 12 -1.881 -0.104 -8.552 97 HG SER 12 HG SER 12 -0.350 1.508 -6.837 98 H ASN 13 H ASN 13 -4.764 0.198 -7.529 99 HA ASN 13 HA ASN 13 -4.982 3.005 -6.866 100 1HB ASN 13 2HB ASN 13 -6.960 0.893 -7.776 101 2HB ASN 13 1HB ASN 13 -7.311 2.623 -7.729 102 1HD2 ASN 13 1HD2 ASN 13 -5.851 4.043 -9.109 103 2HD2 ASN 13 2HD2 ASN 13 -5.179 3.383 -10.521 104 H ASP 14 H ASP 14 -5.181 0.353 -4.857 105 HA ASP 14 HA ASP 14 -7.325 1.567 -3.156 106 1HB ASP 14 2HB ASP 14 -7.173 -0.915 -4.065 107 2HB ASP 14 1HB ASP 14 -6.066 -1.122 -2.706 108 H CYS 15 H CYS 15 -3.914 1.053 -3.373 109 HA CYS 15 HA CYS 15 -3.362 1.126 -0.506 110 1HB CYS 15 2HB CYS 15 -1.626 1.510 -2.964 111 2HB CYS 15 1HB CYS 15 -1.042 1.159 -1.335 112 H CYS 16 H CYS 16 -2.657 2.889 0.696 113 HA CYS 16 HA CYS 16 -3.438 5.547 -0.105 114 1HB CYS 16 2HB CYS 16 -2.248 4.119 2.179 115 2HB CYS 16 1HB CYS 16 -1.726 5.796 2.036 116 H LYS 17 H LYS 17 -1.723 7.393 0.106 117 HA LYS 17 HA LYS 17 0.111 7.361 -1.991 118 1HB LYS 17 2HB LYS 17 -0.590 9.386 -0.865 119 2HB LYS 17 1HB LYS 17 0.104 8.833 0.660 120 1HG LYS 17 2HG LYS 17 2.285 9.226 -0.031 121 2HG LYS 17 1HG LYS 17 1.888 9.041 -1.738 122 1HD LYS 17 2HD LYS 17 0.743 11.188 -1.756 123 2HD LYS 17 1HD LYS 17 0.972 11.360 -0.015 124 1HE LYS 17 2HE LYS 17 3.218 11.886 -0.223 125 2HE LYS 17 1HE LYS 17 3.412 10.920 -1.699 126 1HZ LYS 17 1HZ LYS 17 3.001 13.626 -1.596 127 2HZ LYS 17 2HZ LYS 17 1.478 13.002 -2.016 128 3HZ LYS 17 3HZ LYS 17 2.838 12.643 -2.968 129 H ASP 18 H ASP 18 2.366 6.873 -2.127 130 HA ASP 18 HA ASP 18 4.362 5.729 -1.575 131 1HB ASP 18 2HB ASP 18 3.443 6.341 1.251 132 2HB ASP 18 1HB ASP 18 5.102 6.093 0.705 133 H LEU 19 H LEU 19 1.596 4.348 -1.533 134 HA LEU 19 HA LEU 19 2.542 1.854 -0.174 135 1HB LEU 19 2HB LEU 19 0.716 3.429 0.967 136 2HB LEU 19 1HB LEU 19 -0.360 2.614 -0.169 137 HG LEU 19 HG LEU 19 0.513 0.415 0.687 138 1HD1 LEU 19 1HD1 LEU 19 2.628 1.583 1.633 139 2HD1 LEU 19 2HD1 LEU 19 1.893 0.312 2.608 140 3HD1 LEU 19 3HD1 LEU 19 1.612 2.005 3.007 141 1HD2 LEU 19 1HD2 LEU 19 -0.646 2.175 2.866 142 2HD2 LEU 19 2HD2 LEU 19 -0.847 0.432 2.682 143 3HD2 LEU 19 3HD2 LEU 19 -1.595 1.532 1.524 144 H VAL 20 H VAL 20 2.176 0.007 -1.408 145 HA VAL 20 HA VAL 20 0.430 0.271 -3.828 146 HB VAL 20 HB VAL 20 2.287 -0.936 -5.047 147 1HG1 VAL 20 1HG1 VAL 20 3.813 1.089 -5.089 148 2HG1 VAL 20 2HG1 VAL 20 2.839 1.761 -3.781 149 3HG1 VAL 20 3HG1 VAL 20 2.107 1.446 -5.355 150 1HG2 VAL 20 1HG2 VAL 20 3.292 -1.789 -2.858 151 2HG2 VAL 20 2HG2 VAL 20 3.952 -0.169 -2.638 152 3HG2 VAL 20 3HG2 VAL 20 4.443 -1.141 -4.025 153 H CYS 21 H CYS 21 -0.321 -1.818 -4.637 154 HA CYS 21 HA CYS 21 -0.944 -3.723 -2.545 155 1HB CYS 21 2HB CYS 21 -2.368 -3.111 -4.499 156 2HB CYS 21 1HB CYS 21 -1.193 -3.879 -5.566 157 H SER 22 H SER 22 0.002 -5.789 -2.184 158 HA SER 22 HA SER 22 2.182 -6.631 -4.044 159 1HB SER 22 2HB SER 22 2.506 -5.356 -1.538 160 2HB SER 22 1HB SER 22 2.946 -7.045 -1.300 161 HG SER 22 HG SER 22 4.424 -6.866 -2.960 162 H SER 23 H SER 23 1.884 -8.754 -4.520 163 HA SER 23 HA SER 23 -0.037 -10.414 -3.200 164 1HB SER 23 2HB SER 23 2.209 -11.442 -4.903 165 2HB SER 23 1HB SER 23 0.515 -11.923 -4.900 166 HG SER 23 HG SER 23 0.882 -10.641 -6.691 167 H ARG 24 H ARG 24 3.351 -9.785 -2.691 168 HA ARG 24 HA ARG 24 3.892 -12.240 -1.194 169 1HB ARG 24 2HB ARG 24 5.455 -10.586 -2.523 170 2HB ARG 24 1HB ARG 24 5.468 -9.682 -1.009 171 1HG ARG 24 2HG ARG 24 6.327 -11.591 0.201 172 2HG ARG 24 1HG ARG 24 6.138 -12.629 -1.213 173 1HD ARG 24 2HD ARG 24 8.367 -12.114 -1.506 174 2HD ARG 24 1HD ARG 24 7.696 -10.660 -2.270 175 HE ARG 24 HE ARG 24 8.095 -9.438 -0.217 176 1HH1 ARG 24 1HH2 ARG 24 10.381 -11.668 -0.718 177 2HH1 ARG 24 2HH2 ARG 24 10.772 -11.984 0.940 178 1HH2 ARG 24 1HH1 ARG 24 8.008 -10.304 2.187 179 2HH2 ARG 24 2HH1 ARG 24 9.428 -11.212 2.583 180 H TRP 25 H TRP 25 3.259 -8.830 -0.425 181 HA TRP 25 HA TRP 25 3.237 -9.349 2.472 182 1HB TRP 25 2HB TRP 25 2.509 -6.938 0.775 183 2HB TRP 25 1HB TRP 25 2.694 -6.925 2.530 184 HD1 TRP 25 HD TRP 25 4.622 -6.504 -0.593 185 HE1 TRP 25 1HE TRP 25 7.147 -6.423 -0.095 186 HE3 TRP 25 3HE TRP 25 4.633 -8.109 4.260 187 HZ2 TRP 25 2HZ TRP 25 8.916 -6.959 2.026 188 HZ3 TRP 25 3HZ TRP 25 6.774 -8.314 5.497 189 HH2 TRP 25 HH TRP 25 8.919 -7.740 4.388 190 H LYS 26 H LYS 26 1.059 -9.590 -0.139 191 HA LYS 26 HA LYS 26 -1.208 -10.195 -0.204 192 1HB LYS 26 2HB LYS 26 -1.766 -11.554 1.543 193 2HB LYS 26 1HB LYS 26 -0.110 -11.261 2.053 194 1HG LYS 26 2HG LYS 26 -1.447 -9.081 3.105 195 2HG LYS 26 1HG LYS 26 -2.629 -10.369 3.279 196 1HD LYS 26 2HD LYS 26 0.115 -10.122 4.488 197 2HD LYS 26 1HD LYS 26 -1.409 -10.533 5.266 198 1HE LYS 26 2HE LYS 26 0.299 -12.311 3.499 199 2HE LYS 26 1HE LYS 26 -0.218 -12.597 5.170 200 1HZ LYS 26 1HZ LYS 26 -2.554 -12.136 3.883 201 2HZ LYS 26 2HZ LYS 26 -1.936 -13.672 4.255 202 3HZ LYS 26 3HZ LYS 26 -1.676 -13.000 2.717 203 H TRP 27 H TRP 27 -0.346 -7.302 0.144 204 HA TRP 27 HA TRP 27 -2.907 -6.106 0.308 205 1HB TRP 27 2HB TRP 27 -2.742 -5.082 2.588 206 2HB TRP 27 1HB TRP 27 -2.892 -6.830 2.642 207 HD1 TRP 27 HD TRP 27 0.257 -4.628 2.140 208 HE1 TRP 27 1HE TRP 27 2.006 -5.306 3.895 209 HE3 TRP 27 3HE TRP 27 -2.410 -8.094 4.767 210 HZ2 TRP 27 2HZ TRP 27 2.250 -7.033 6.108 211 HZ3 TRP 27 3HZ TRP 27 -1.389 -9.228 6.721 212 HH2 TRP 27 HH TRP 27 0.937 -8.705 7.398 213 H CYS 28 H CYS 28 -2.417 -3.607 1.281 214 HA CYS 28 HA CYS 28 -0.547 -2.495 -0.662 215 1HB CYS 28 2HB CYS 28 -2.266 -1.421 1.591 216 2HB CYS 28 1HB CYS 28 -1.282 -0.368 0.570 217 H VAL 29 H VAL 29 1.638 -2.357 -0.284 218 HA VAL 29 HA VAL 29 2.570 -2.386 2.552 219 HB VAL 29 HB VAL 29 4.610 -3.357 1.587 220 1HG1 VAL 29 1HG1 VAL 29 1.902 -4.472 1.027 221 2HG1 VAL 29 2HG1 VAL 29 3.190 -5.105 2.051 222 3HG1 VAL 29 3HG1 VAL 29 3.280 -5.300 0.299 223 1HG2 VAL 29 1HG2 VAL 29 3.502 -2.190 -0.822 224 2HG2 VAL 29 2HG2 VAL 29 3.812 -3.908 -1.067 225 3HG2 VAL 29 3HG2 VAL 29 5.119 -2.841 -0.553 226 H LEU 30 H LEU 30 4.604 -1.167 2.961 227 HA LEU 30 HA LEU 30 4.377 1.588 2.215 228 1HB LEU 30 2HB LEU 30 6.552 -0.083 3.496 229 2HB LEU 30 1HB LEU 30 6.603 1.680 3.412 230 HG LEU 30 HG LEU 30 4.425 0.026 4.715 231 1HD1 LEU 30 1HD1 LEU 30 6.793 1.579 5.729 232 2HD1 LEU 30 2HD1 LEU 30 6.198 0.001 6.243 233 3HD1 LEU 30 3HD1 LEU 30 5.339 1.465 6.722 234 1HD2 LEU 30 1HD2 LEU 30 3.294 1.927 3.978 235 2HD2 LEU 30 2HD2 LEU 30 4.730 2.945 4.080 236 3HD2 LEU 30 3HD2 LEU 30 3.878 2.474 5.551 237 H ALA 31 H ALA 31 4.719 2.195 0.120 238 HA ALA 31 HA ALA 31 6.917 0.968 -1.453 239 1HB ALA 31 1HB ALA 31 5.278 1.280 -2.998 240 2HB ALA 31 2HB ALA 31 5.672 2.998 -2.926 241 3HB ALA 31 3HB ALA 31 4.381 2.346 -1.917 242 H SER 32 H SER 32 7.709 2.447 0.785 243 HA SER 32 HA SER 32 8.294 5.096 0.799 244 1HB SER 32 2HB SER 32 9.751 2.616 1.461 245 2HB SER 32 1HB SER 32 10.766 4.050 1.330 246 HG SER 32 HG SER 32 9.609 3.496 3.428 247 HA PRO 33 HA PRO 33 11.844 4.815 -2.389 248 1HB PRO 33 2HB PRO 33 12.151 2.472 -3.773 249 2HB PRO 33 1HB PRO 33 12.971 2.805 -2.235 250 1HG PRO 33 2HG PRO 33 10.523 1.192 -2.761 251 2HG PRO 33 1HG PRO 33 11.863 0.879 -1.646 252 1HD PRO 33 2HD PRO 33 9.463 1.867 -0.839 253 2HD PRO 33 1HD PRO 33 10.992 2.234 -0.009 254 H PHE 34 H PHE 34 10.050 6.129 -3.306 255 HA PHE 34 HA PHE 34 9.486 5.513 -6.047 256 1HB PHE 34 2HB PHE 34 7.786 4.338 -4.012 257 2HB PHE 34 1HB PHE 34 6.852 5.408 -5.058 258 HD1 PHE 34 1HD PHE 34 7.145 2.178 -4.765 259 HD2 PHE 34 2HD PHE 34 8.407 5.152 -7.596 260 HE1 PHE 34 1HE PHE 34 7.171 0.463 -6.555 261 HE2 PHE 34 2HE PHE 34 8.435 3.436 -9.387 262 HZ PHE 34 HZ PHE 34 7.816 1.092 -8.866 Start of MODEL 2 1 1H GLU 1 1HT GLU 1 -9.325 4.878 -4.291 2 2H GLU 1 2HT GLU 1 -7.720 4.461 -3.923 3 3H GLU 1 3HT GLU 1 -8.063 5.943 -4.679 4 HA GLU 1 HA GLU 1 -8.802 6.931 -2.755 5 1HB GLU 1 2HB GLU 1 -10.092 4.419 -2.627 6 2HB GLU 1 1HB GLU 1 -9.261 4.624 -1.084 7 1HG GLU 1 2HG GLU 1 -10.341 6.753 -0.710 8 2HG GLU 1 1HG GLU 1 -11.040 6.738 -2.329 9 H CYS 2 H CYS 2 -8.192 6.136 -0.174 10 HA CYS 2 HA CYS 2 -5.242 5.596 -0.320 11 1HB CYS 2 2HB CYS 2 -6.241 7.947 0.254 12 2HB CYS 2 1HB CYS 2 -6.623 7.219 1.813 13 H GLY 3 H GLY 3 -5.603 3.311 0.108 14 1HA GLY 3 2HA GLY 3 -7.092 2.528 2.512 15 2HA GLY 3 1HA GLY 3 -6.235 1.436 1.424 16 H LYS 4 H LYS 4 -6.145 1.630 4.395 17 HA LYS 4 HA LYS 4 -3.500 2.693 5.072 18 1HB LYS 4 2HB LYS 4 -5.536 2.637 6.559 19 2HB LYS 4 1HB LYS 4 -5.383 0.881 6.618 20 1HG LYS 4 2HG LYS 4 -4.315 2.022 8.574 21 2HG LYS 4 1HG LYS 4 -3.178 1.058 7.631 22 1HD LYS 4 2HD LYS 4 -2.265 2.991 6.570 23 2HD LYS 4 1HD LYS 4 -3.583 4.014 7.142 24 1HE LYS 4 2HE LYS 4 -2.616 3.040 9.516 25 2HE LYS 4 1HE LYS 4 -1.130 3.170 8.554 26 1HZ LYS 4 1HZ LYS 4 -1.308 5.332 9.173 27 2HZ LYS 4 2HZ LYS 4 -2.993 5.260 9.382 28 3HZ LYS 4 3HZ LYS 4 -2.333 5.401 7.823 29 H PHE 5 H PHE 5 -1.746 1.295 5.894 30 HA PHE 5 HA PHE 5 -0.866 -0.747 4.263 31 1HB PHE 5 2HB PHE 5 0.431 0.339 6.054 32 2HB PHE 5 1HB PHE 5 -0.540 -0.491 7.268 33 HD1 PHE 5 1HD PHE 5 0.544 -2.304 8.256 34 HD2 PHE 5 2HD PHE 5 1.230 -1.488 4.095 35 HE1 PHE 5 1HE PHE 5 2.064 -4.255 8.120 36 HE2 PHE 5 2HE PHE 5 2.748 -3.445 3.968 37 HZ PHE 5 HZ PHE 5 3.165 -4.820 5.977 38 H MET 6 H MET 6 -0.952 -3.042 4.353 39 HA MET 6 HA MET 6 -1.849 -5.159 4.830 40 1HB MET 6 2HB MET 6 -3.425 -3.832 7.037 41 2HB MET 6 1HB MET 6 -2.842 -5.493 6.963 42 1HG MET 6 2HG MET 6 -0.474 -4.418 6.864 43 2HG MET 6 1HG MET 6 -1.275 -2.976 7.484 44 1HE MET 6 1HE MET 6 -0.993 -7.128 9.173 45 2HE MET 6 2HE MET 6 0.545 -6.287 8.997 46 3HE MET 6 3HE MET 6 -0.518 -6.463 7.604 47 H TRP 7 H TRP 7 -3.583 -2.474 3.860 48 HA TRP 7 HA TRP 7 -6.281 -3.482 3.891 49 1HB TRP 7 2HB TRP 7 -4.720 -1.284 2.652 50 2HB TRP 7 1HB TRP 7 -6.201 -1.734 1.814 51 HD1 TRP 7 HD TRP 7 -5.588 -1.746 5.621 52 HE1 TRP 7 1HE TRP 7 -7.358 -0.197 6.708 53 HE3 TRP 7 3HE TRP 7 -7.836 0.095 1.445 54 HZ2 TRP 7 2HZ TRP 7 -9.423 1.567 5.915 55 HZ3 TRP 7 3HZ TRP 7 -9.711 1.718 1.626 56 HH2 TRP 7 HH TRP 7 -10.506 2.458 3.859 57 H LYS 8 H LYS 8 -7.214 -4.982 2.577 58 HA LYS 8 HA LYS 8 -5.704 -6.450 0.591 59 1HB LYS 8 2HB LYS 8 -8.584 -6.297 1.503 60 2HB LYS 8 1HB LYS 8 -8.101 -7.363 0.183 61 1HG LYS 8 2HG LYS 8 -7.658 -8.866 1.828 62 2HG LYS 8 1HG LYS 8 -6.190 -7.922 2.076 63 1HD LYS 8 2HD LYS 8 -6.984 -6.926 3.984 64 2HD LYS 8 1HD LYS 8 -8.653 -6.924 3.414 65 1HE LYS 8 2HE LYS 8 -8.923 -9.266 3.934 66 2HE LYS 8 1HE LYS 8 -7.187 -9.445 4.257 67 1HZ LYS 8 1HZ LYS 8 -7.742 -7.394 5.830 68 2HZ LYS 8 2HZ LYS 8 -7.848 -9.004 6.363 69 3HZ LYS 8 3HZ LYS 8 -9.248 -8.172 5.878 70 H CYS 9 H CYS 9 -5.527 -5.978 -1.581 71 HA CYS 9 HA CYS 9 -7.474 -4.084 -2.812 72 1HB CYS 9 2HB CYS 9 -5.188 -3.193 -3.875 73 2HB CYS 9 1HB CYS 9 -5.780 -2.584 -2.333 74 H LYS 10 H LYS 10 -6.338 -3.850 -5.282 75 HA LYS 10 HA LYS 10 -6.375 -6.667 -6.290 76 1HB LYS 10 2HB LYS 10 -7.397 -5.755 -8.249 77 2HB LYS 10 1HB LYS 10 -8.167 -4.936 -6.889 78 1HG LYS 10 2HG LYS 10 -6.518 -3.059 -7.163 79 2HG LYS 10 1HG LYS 10 -5.922 -3.856 -8.620 80 1HD LYS 10 2HD LYS 10 -8.865 -3.427 -8.413 81 2HD LYS 10 1HD LYS 10 -7.863 -2.006 -8.710 82 1HE LYS 10 2HE LYS 10 -8.083 -2.667 -10.907 83 2HE LYS 10 1HE LYS 10 -6.763 -3.774 -10.484 84 1HZ LYS 10 1HZ LYS 10 -9.050 -4.669 -11.410 85 2HZ LYS 10 2HZ LYS 10 -9.487 -4.562 -9.771 86 3HZ LYS 10 3HZ LYS 10 -8.170 -5.526 -10.240 87 H ASN 11 H ASN 11 -4.758 -3.516 -6.713 88 HA ASN 11 HA ASN 11 -2.270 -4.885 -7.493 89 1HB ASN 11 2HB ASN 11 -4.070 -4.466 -9.456 90 2HB ASN 11 1HB ASN 11 -3.256 -2.901 -9.479 91 1HD2 ASN 11 1HD2 ASN 11 -2.600 -3.917 -11.737 92 2HD2 ASN 11 2HD2 ASN 11 -1.158 -4.810 -11.751 93 H SER 12 H SER 12 -3.989 -1.767 -7.323 94 HA SER 12 HA SER 12 -2.183 -0.529 -5.551 95 1HB SER 12 2HB SER 12 -1.308 -0.807 -8.321 96 2HB SER 12 1HB SER 12 -1.280 0.869 -7.779 97 HG SER 12 HG SER 12 0.049 -1.386 -6.717 98 H ASN 13 H ASN 13 -5.057 -0.501 -6.537 99 HA ASN 13 HA ASN 13 -5.313 2.412 -7.167 100 1HB ASN 13 2HB ASN 13 -7.202 1.824 -8.377 101 2HB ASN 13 1HB ASN 13 -6.295 0.319 -8.504 102 1HD2 ASN 13 1HD2 ASN 13 -6.793 -1.289 -6.583 103 2HD2 ASN 13 2HD2 ASN 13 -8.421 -1.396 -6.112 104 H ASP 14 H ASP 14 -5.195 0.550 -4.501 105 HA ASP 14 HA ASP 14 -7.236 2.212 -3.063 106 1HB ASP 14 2HB ASP 14 -7.642 -0.358 -3.647 107 2HB ASP 14 1HB ASP 14 -6.629 -0.597 -2.223 108 H CYS 15 H CYS 15 -3.998 1.371 -3.343 109 HA CYS 15 HA CYS 15 -3.293 1.276 -0.513 110 1HB CYS 15 2HB CYS 15 -1.644 1.749 -3.015 111 2HB CYS 15 1HB CYS 15 -1.025 1.237 -1.445 112 H CYS 16 H CYS 16 -2.518 2.980 0.742 113 HA CYS 16 HA CYS 16 -3.209 5.690 0.016 114 1HB CYS 16 2HB CYS 16 -2.083 4.168 2.268 115 2HB CYS 16 1HB CYS 16 -1.488 5.823 2.162 116 H LYS 17 H LYS 17 -1.553 7.494 0.029 117 HA LYS 17 HA LYS 17 0.349 7.365 -1.974 118 1HB LYS 17 2HB LYS 17 -0.441 9.384 -0.743 119 2HB LYS 17 1HB LYS 17 0.541 8.898 0.640 120 1HG LYS 17 2HG LYS 17 2.535 9.394 -0.424 121 2HG LYS 17 1HG LYS 17 1.869 9.108 -2.032 122 1HD LYS 17 2HD LYS 17 0.993 11.430 -0.301 123 2HD LYS 17 1HD LYS 17 2.332 11.550 -1.443 124 1HE LYS 17 2HE LYS 17 0.636 10.599 -3.187 125 2HE LYS 17 1HE LYS 17 -0.595 11.117 -2.018 126 1HZ LYS 17 1HZ LYS 17 -0.277 13.062 -3.156 127 2HZ LYS 17 2HZ LYS 17 1.354 12.734 -3.501 128 3HZ LYS 17 3HZ LYS 17 0.898 13.247 -1.947 129 H ASP 18 H ASP 18 2.667 6.978 -1.977 130 HA ASP 18 HA ASP 18 4.601 5.757 -1.361 131 1HB ASP 18 2HB ASP 18 3.449 7.007 1.084 132 2HB ASP 18 1HB ASP 18 4.668 5.758 1.347 133 H LEU 19 H LEU 19 1.893 4.405 -1.600 134 HA LEU 19 HA LEU 19 2.655 1.897 -0.172 135 1HB LEU 19 2HB LEU 19 0.821 3.493 0.900 136 2HB LEU 19 1HB LEU 19 -0.219 2.746 -0.313 137 HG LEU 19 HG LEU 19 0.550 0.497 0.528 138 1HD1 LEU 19 1HD1 LEU 19 2.615 1.582 1.616 139 2HD1 LEU 19 2HD1 LEU 19 1.794 0.326 2.539 140 3HD1 LEU 19 3HD1 LEU 19 1.542 2.026 2.934 141 1HD2 LEU 19 1HD2 LEU 19 -0.741 0.717 2.733 142 2HD2 LEU 19 2HD2 LEU 19 -1.592 1.227 1.275 143 3HD2 LEU 19 3HD2 LEU 19 -0.886 2.432 2.352 144 H VAL 20 H VAL 20 2.222 0.045 -1.369 145 HA VAL 20 HA VAL 20 0.590 0.318 -3.853 146 HB VAL 20 HB VAL 20 2.463 -0.870 -5.055 147 1HG1 VAL 20 1HG1 VAL 20 3.398 1.713 -3.786 148 2HG1 VAL 20 2HG1 VAL 20 2.124 1.660 -5.005 149 3HG1 VAL 20 3HG1 VAL 20 3.752 1.114 -5.408 150 1HG2 VAL 20 1HG2 VAL 20 4.061 -1.809 -3.771 151 2HG2 VAL 20 2HG2 VAL 20 3.474 -0.964 -2.339 152 3HG2 VAL 20 3HG2 VAL 20 4.638 -0.182 -3.408 153 H CYS 21 H CYS 21 -0.568 -1.552 -4.294 154 HA CYS 21 HA CYS 21 -0.901 -3.543 -2.271 155 1HB CYS 21 2HB CYS 21 -2.431 -2.702 -4.181 156 2HB CYS 21 1HB CYS 21 -1.575 -3.858 -5.196 157 H SER 22 H SER 22 -0.001 -5.622 -2.060 158 HA SER 22 HA SER 22 1.892 -6.521 -4.192 159 1HB SER 22 2HB SER 22 2.444 -5.595 -1.466 160 2HB SER 22 1HB SER 22 3.145 -7.172 -1.814 161 HG SER 22 HG SER 22 3.856 -4.713 -2.712 162 H SER 23 H SER 23 1.439 -8.610 -4.699 163 HA SER 23 HA SER 23 -0.408 -10.233 -3.244 164 1HB SER 23 2HB SER 23 0.804 -10.166 -5.742 165 2HB SER 23 1HB SER 23 1.480 -11.616 -5.006 166 HG SER 23 HG SER 23 -0.475 -12.090 -6.042 167 H ARG 24 H ARG 24 2.956 -9.612 -2.910 168 HA ARG 24 HA ARG 24 3.692 -12.120 -1.595 169 1HB ARG 24 2HB ARG 24 5.276 -10.685 -2.842 170 2HB ARG 24 1HB ARG 24 4.965 -9.364 -1.721 171 1HG ARG 24 2HG ARG 24 6.587 -10.159 -0.384 172 2HG ARG 24 1HG ARG 24 5.622 -11.615 -0.135 173 1HD ARG 24 2HD ARG 24 6.663 -12.710 -2.036 174 2HD ARG 24 1HD ARG 24 7.513 -11.217 -2.481 175 HE ARG 24 HE ARG 24 8.060 -11.914 0.265 176 1HH1 ARG 24 1HH2 ARG 24 8.597 -14.513 -1.108 177 2HH1 ARG 24 2HH2 ARG 24 10.253 -14.340 -1.583 178 1HH2 ARG 24 1HH1 ARG 24 10.294 -10.900 -1.162 179 2HH2 ARG 24 2HH1 ARG 24 11.214 -12.296 -1.614 180 H TRP 25 H TRP 25 3.286 -8.755 -0.554 181 HA TRP 25 HA TRP 25 3.263 -9.466 2.284 182 1HB TRP 25 2HB TRP 25 2.564 -6.911 0.793 183 2HB TRP 25 1HB TRP 25 2.894 -7.034 2.521 184 HD1 TRP 25 HD TRP 25 4.580 -6.260 -0.611 185 HE1 TRP 25 1HE TRP 25 7.140 -6.440 -0.368 186 HE3 TRP 25 3HE TRP 25 4.892 -8.765 3.834 187 HZ2 TRP 25 2HZ TRP 25 9.040 -7.480 1.426 188 HZ3 TRP 25 3HZ TRP 25 7.110 -9.338 4.787 189 HH2 TRP 25 HH TRP 25 9.188 -8.701 3.591 190 H LYS 26 H LYS 26 0.990 -9.523 -0.242 191 HA LYS 26 HA LYS 26 -1.297 -10.087 -0.224 192 1HB LYS 26 2HB LYS 26 -1.829 -11.404 1.559 193 2HB LYS 26 1HB LYS 26 -0.170 -11.109 2.066 194 1HG LYS 26 2HG LYS 26 -1.405 -8.893 3.080 195 2HG LYS 26 1HG LYS 26 -2.704 -10.075 3.202 196 1HD LYS 26 2HD LYS 26 0.035 -10.135 4.461 197 2HD LYS 26 1HD LYS 26 -1.541 -10.277 5.242 198 1HE LYS 26 2HE LYS 26 -1.875 -12.465 3.999 199 2HE LYS 26 1HE LYS 26 -0.176 -12.352 3.494 200 1HZ LYS 26 1HZ LYS 26 0.579 -12.564 5.623 201 2HZ LYS 26 2HZ LYS 26 -0.833 -13.500 5.751 202 3HZ LYS 26 3HZ LYS 26 -0.816 -11.898 6.316 203 H TRP 27 H TRP 27 -0.239 -7.209 0.187 204 HA TRP 27 HA TRP 27 -2.778 -5.928 0.379 205 1HB TRP 27 2HB TRP 27 -2.468 -4.930 2.663 206 2HB TRP 27 1HB TRP 27 -2.686 -6.673 2.701 207 HD1 TRP 27 HD TRP 27 0.540 -4.637 2.032 208 HE1 TRP 27 1HE TRP 27 2.344 -5.403 3.687 209 HE3 TRP 27 3HE TRP 27 -2.167 -7.929 4.843 210 HZ2 TRP 27 2HZ TRP 27 2.621 -7.128 5.894 211 HZ3 TRP 27 3HZ TRP 27 -1.095 -9.108 6.742 212 HH2 TRP 27 HH TRP 27 1.294 -8.713 7.276 213 H CYS 28 H CYS 28 -2.367 -3.444 0.988 214 HA CYS 28 HA CYS 28 -0.386 -2.427 -0.858 215 1HB CYS 28 2HB CYS 28 -2.064 -1.199 1.356 216 2HB CYS 28 1HB CYS 28 -1.124 -0.245 0.211 217 H VAL 29 H VAL 29 1.817 -2.501 -0.379 218 HA VAL 29 HA VAL 29 2.648 -2.459 2.473 219 HB VAL 29 HB VAL 29 4.906 -2.997 1.363 220 1HG1 VAL 29 1HG1 VAL 29 2.618 -4.574 1.941 221 2HG1 VAL 29 2HG1 VAL 29 4.305 -5.090 1.908 222 3HG1 VAL 29 3HG1 VAL 29 3.316 -5.211 0.451 223 1HG2 VAL 29 1HG2 VAL 29 3.451 -3.926 -1.030 224 2HG2 VAL 29 2HG2 VAL 29 5.056 -3.208 -0.898 225 3HG2 VAL 29 3HG2 VAL 29 3.625 -2.175 -0.918 226 H LEU 30 H LEU 30 4.399 -1.042 3.158 227 HA LEU 30 HA LEU 30 4.038 1.711 2.507 228 1HB LEU 30 2HB LEU 30 6.369 0.294 3.811 229 2HB LEU 30 1HB LEU 30 5.940 1.992 4.012 230 HG LEU 30 HG LEU 30 3.806 -0.011 4.584 231 1HD1 LEU 30 1HD1 LEU 30 4.664 -0.677 6.673 232 2HD1 LEU 30 2HD1 LEU 30 5.893 0.589 6.675 233 3HD1 LEU 30 3HD1 LEU 30 6.062 -0.803 5.605 234 1HD2 LEU 30 1HD2 LEU 30 3.498 2.464 4.773 235 2HD2 LEU 30 2HD2 LEU 30 4.760 2.498 6.005 236 3HD2 LEU 30 3HD2 LEU 30 3.252 1.635 6.310 237 H ALA 31 H ALA 31 4.499 0.621 -0.011 238 HA ALA 31 HA ALA 31 6.159 0.415 -1.776 239 1HB ALA 31 1HB ALA 31 5.376 3.159 -0.908 240 2HB ALA 31 2HB ALA 31 4.998 2.307 -2.405 241 3HB ALA 31 3HB ALA 31 6.592 3.027 -2.177 242 H SER 32 H SER 32 7.638 -0.249 0.488 243 HA SER 32 HA SER 32 10.173 1.288 -0.009 244 1HB SER 32 2HB SER 32 8.601 0.832 2.428 245 2HB SER 32 1HB SER 32 10.308 0.448 2.618 246 HG SER 32 HG SER 32 9.220 2.809 2.671 247 HA PRO 33 HA PRO 33 11.533 -2.908 -0.692 248 1HB PRO 33 2HB PRO 33 14.062 -2.255 -1.504 249 2HB PRO 33 1HB PRO 33 12.644 -2.102 -2.559 250 1HG PRO 33 2HG PRO 33 14.124 -0.008 -1.066 251 2HG PRO 33 1HG PRO 33 13.344 0.072 -2.653 252 1HD PRO 33 2HD PRO 33 12.272 1.095 -0.331 253 2HD PRO 33 1HD PRO 33 11.327 0.641 -1.765 254 H PHE 34 H PHE 34 11.415 -2.256 1.966 255 HA PHE 34 HA PHE 34 13.919 -1.986 3.333 256 1HB PHE 34 2HB PHE 34 11.103 -2.574 3.886 257 2HB PHE 34 1HB PHE 34 12.198 -3.396 4.998 258 HD1 PHE 34 1HD PHE 34 10.531 -0.343 4.303 259 HD2 PHE 34 2HD PHE 34 14.162 -1.930 5.955 260 HE1 PHE 34 1HE PHE 34 10.904 1.785 5.524 261 HE2 PHE 34 2HE PHE 34 14.539 0.196 7.175 262 HZ PHE 34 HZ PHE 34 12.909 2.053 6.959 Start of MODEL 3 1 1H GLU 1 1HT GLU 1 -11.000 4.467 -2.764 2 2H GLU 1 2HT GLU 1 -10.967 3.662 -1.268 3 3H GLU 1 3HT GLU 1 -9.640 3.556 -2.323 4 HA GLU 1 HA GLU 1 -9.686 6.177 -2.054 5 1HB GLU 1 2HB GLU 1 -10.865 5.000 0.485 6 2HB GLU 1 1HB GLU 1 -10.428 6.691 0.242 7 1HG GLU 1 2HG GLU 1 -12.118 5.841 -1.922 8 2HG GLU 1 1HG GLU 1 -12.891 5.431 -0.391 9 H CYS 2 H CYS 2 -8.185 6.883 -0.046 10 HA CYS 2 HA CYS 2 -5.700 5.669 -0.209 11 1HB CYS 2 2HB CYS 2 -6.658 7.771 1.067 12 2HB CYS 2 1HB CYS 2 -6.724 6.662 2.437 13 H GLY 3 H GLY 3 -4.933 3.670 0.391 14 1HA GLY 3 2HA GLY 3 -6.588 2.077 2.299 15 2HA GLY 3 1HA GLY 3 -5.554 1.375 1.057 16 H LYS 4 H LYS 4 -5.692 1.503 4.229 17 HA LYS 4 HA LYS 4 -2.979 2.440 4.886 18 1HB LYS 4 2HB LYS 4 -5.421 2.085 6.190 19 2HB LYS 4 1HB LYS 4 -4.399 0.810 6.854 20 1HG LYS 4 2HG LYS 4 -2.975 3.349 6.616 21 2HG LYS 4 1HG LYS 4 -4.399 3.478 7.649 22 1HD LYS 4 2HD LYS 4 -3.048 1.012 8.235 23 2HD LYS 4 1HD LYS 4 -1.882 2.334 8.303 24 1HE LYS 4 2HE LYS 4 -4.581 2.458 9.688 25 2HE LYS 4 1HE LYS 4 -3.098 1.907 10.493 26 1HZ LYS 4 1HZ LYS 4 -2.022 3.957 9.958 27 2HZ LYS 4 2HZ LYS 4 -3.494 4.331 10.720 28 3HZ LYS 4 3HZ LYS 4 -3.343 4.483 9.034 29 H PHE 5 H PHE 5 -1.286 1.003 5.626 30 HA PHE 5 HA PHE 5 -0.624 -1.244 4.212 31 1HB PHE 5 2HB PHE 5 0.668 -0.024 6.008 32 2HB PHE 5 1HB PHE 5 -0.245 -0.944 7.202 33 HD1 PHE 5 1HD PHE 5 1.676 -1.601 4.023 34 HD2 PHE 5 2HD PHE 5 0.756 -2.874 8.022 35 HE1 PHE 5 1HE PHE 5 3.295 -3.471 3.811 36 HE2 PHE 5 2HE PHE 5 2.369 -4.738 7.801 37 HZ PHE 5 HZ PHE 5 3.642 -5.031 5.691 38 H MET 6 H MET 6 -0.985 -3.483 4.384 39 HA MET 6 HA MET 6 -2.043 -5.480 5.033 40 1HB MET 6 2HB MET 6 -3.412 -3.912 7.216 41 2HB MET 6 1HB MET 6 -2.948 -5.611 7.216 42 1HG MET 6 2HG MET 6 -0.514 -4.611 6.899 43 2HG MET 6 1HG MET 6 -1.245 -3.189 7.643 44 1HE MET 6 1HE MET 6 0.753 -5.963 8.097 45 2HE MET 6 2HE MET 6 -0.585 -7.109 8.102 46 3HE MET 6 3HE MET 6 0.341 -6.842 9.576 47 H TRP 7 H TRP 7 -3.544 -2.694 3.970 48 HA TRP 7 HA TRP 7 -6.322 -3.575 4.087 49 1HB TRP 7 2HB TRP 7 -4.717 -1.361 2.898 50 2HB TRP 7 1HB TRP 7 -6.281 -1.693 2.171 51 HD1 TRP 7 HD TRP 7 -5.349 -1.919 5.911 52 HE1 TRP 7 1HE TRP 7 -6.946 -0.342 7.207 53 HE3 TRP 7 3HE TRP 7 -7.861 0.178 2.022 54 HZ2 TRP 7 2HZ TRP 7 -8.992 1.536 6.664 55 HZ3 TRP 7 3HZ TRP 7 -9.640 1.866 2.425 56 HH2 TRP 7 HH TRP 7 -10.210 2.552 4.740 57 H LYS 8 H LYS 8 -7.276 -5.006 2.689 58 HA LYS 8 HA LYS 8 -5.901 -6.373 0.596 59 1HB LYS 8 2HB LYS 8 -8.173 -7.166 0.048 60 2HB LYS 8 1HB LYS 8 -7.962 -7.119 1.799 61 1HG LYS 8 2HG LYS 8 -8.874 -4.609 1.399 62 2HG LYS 8 1HG LYS 8 -9.671 -5.427 0.054 63 1HD LYS 8 2HD LYS 8 -9.793 -6.306 2.954 64 2HD LYS 8 1HD LYS 8 -11.080 -5.464 2.089 65 1HE LYS 8 2HE LYS 8 -10.051 -7.891 0.731 66 2HE LYS 8 1HE LYS 8 -10.930 -8.182 2.245 67 1HZ LYS 8 1HZ LYS 8 -12.810 -7.136 1.467 68 2HZ LYS 8 2HZ LYS 8 -12.252 -7.881 0.046 69 3HZ LYS 8 3HZ LYS 8 -11.970 -6.226 0.309 70 H CYS 9 H CYS 9 -5.622 -5.796 -1.570 71 HA CYS 9 HA CYS 9 -7.053 -3.352 -2.536 72 1HB CYS 9 2HB CYS 9 -4.692 -2.970 -3.658 73 2HB CYS 9 1HB CYS 9 -4.956 -2.507 -1.979 74 H LYS 10 H LYS 10 -6.482 -3.119 -5.025 75 HA LYS 10 HA LYS 10 -7.174 -5.722 -6.287 76 1HB LYS 10 2HB LYS 10 -7.954 -4.303 -8.101 77 2HB LYS 10 1HB LYS 10 -8.540 -3.631 -6.582 78 1HG LYS 10 2HG LYS 10 -7.661 -1.687 -7.368 79 2HG LYS 10 1HG LYS 10 -6.131 -2.362 -6.820 80 1HD LYS 10 2HD LYS 10 -5.577 -1.889 -9.012 81 2HD LYS 10 1HD LYS 10 -6.196 -3.529 -9.214 82 1HE LYS 10 2HE LYS 10 -8.509 -2.391 -9.580 83 2HE LYS 10 1HE LYS 10 -7.562 -0.915 -9.859 84 1HZ LYS 10 1HZ LYS 10 -6.747 -3.435 -11.141 85 2HZ LYS 10 2HZ LYS 10 -6.464 -1.836 -11.640 86 3HZ LYS 10 3HZ LYS 10 -8.005 -2.527 -11.827 87 H ASN 11 H ASN 11 -4.680 -3.250 -6.235 88 HA ASN 11 HA ASN 11 -2.625 -4.928 -7.246 89 1HB ASN 11 2HB ASN 11 -3.850 -5.002 -9.307 90 2HB ASN 11 1HB ASN 11 -4.138 -3.262 -9.272 91 1HD2 ASN 11 1HD2 ASN 11 -2.848 -2.266 -10.824 92 2HD2 ASN 11 2HD2 ASN 11 -1.241 -2.687 -11.174 93 H SER 12 H SER 12 -3.916 -1.665 -6.886 94 HA SER 12 HA SER 12 -1.689 -0.595 -5.563 95 1HB SER 12 2HB SER 12 -1.322 -1.041 -8.388 96 2HB SER 12 1HB SER 12 -1.177 0.677 -8.028 97 HG SER 12 HG SER 12 0.131 -1.377 -6.568 98 H ASN 13 H ASN 13 -4.465 -0.075 -7.616 99 HA ASN 13 HA ASN 13 -4.532 2.829 -7.232 100 1HB ASN 13 2HB ASN 13 -6.243 0.692 -8.471 101 2HB ASN 13 1HB ASN 13 -6.923 2.299 -8.209 102 1HD2 ASN 13 1HD2 ASN 13 -5.063 0.444 -10.383 103 2HD2 ASN 13 2HD2 ASN 13 -4.436 1.721 -11.310 104 H ASP 14 H ASP 14 -4.832 0.562 -4.982 105 HA ASP 14 HA ASP 14 -7.167 1.888 -3.639 106 1HB ASP 14 2HB ASP 14 -6.528 -0.870 -4.263 107 2HB ASP 14 1HB ASP 14 -6.707 -0.662 -2.522 108 H CYS 15 H CYS 15 -3.814 1.144 -3.507 109 HA CYS 15 HA CYS 15 -3.545 1.157 -0.600 110 1HB CYS 15 2HB CYS 15 -1.628 1.371 -2.936 111 2HB CYS 15 1HB CYS 15 -1.115 1.199 -1.256 112 H CYS 16 H CYS 16 -2.673 2.830 0.667 113 HA CYS 16 HA CYS 16 -3.390 5.527 0.020 114 1HB CYS 16 2HB CYS 16 -1.974 4.003 2.133 115 2HB CYS 16 1HB CYS 16 -1.590 5.722 2.052 116 H LYS 17 H LYS 17 -1.786 7.361 -0.082 117 HA LYS 17 HA LYS 17 -0.020 7.267 -2.214 118 1HB LYS 17 2HB LYS 17 -0.681 9.343 -1.214 119 2HB LYS 17 1HB LYS 17 -0.010 8.874 0.349 120 1HG LYS 17 2HG LYS 17 1.982 9.741 -0.227 121 2HG LYS 17 1HG LYS 17 2.056 8.662 -1.620 122 1HD LYS 17 2HD LYS 17 1.324 10.265 -3.077 123 2HD LYS 17 1HD LYS 17 0.249 11.000 -1.886 124 1HE LYS 17 2HE LYS 17 1.832 12.656 -1.824 125 2HE LYS 17 1HE LYS 17 2.729 11.518 -0.798 126 1HZ LYS 17 1HZ LYS 17 3.765 12.422 -3.021 127 2HZ LYS 17 2HZ LYS 17 2.850 11.161 -3.704 128 3HZ LYS 17 3HZ LYS 17 4.024 10.822 -2.522 129 H ASP 18 H ASP 18 2.221 6.818 -2.430 130 HA ASP 18 HA ASP 18 4.277 5.771 -1.922 131 1HB ASP 18 2HB ASP 18 3.294 7.070 0.560 132 2HB ASP 18 1HB ASP 18 4.553 5.857 0.780 133 H LEU 19 H LEU 19 1.388 4.450 -1.438 134 HA LEU 19 HA LEU 19 2.498 1.961 -0.197 135 1HB LEU 19 2HB LEU 19 0.680 3.498 0.985 136 2HB LEU 19 1HB LEU 19 -0.419 2.677 -0.122 137 HG LEU 19 HG LEU 19 0.460 0.482 0.711 138 1HD1 LEU 19 1HD1 LEU 19 1.832 0.440 2.718 139 2HD1 LEU 19 2HD1 LEU 19 1.783 2.198 2.838 140 3HD1 LEU 19 3HD1 LEU 19 2.646 1.430 1.510 141 1HD2 LEU 19 1HD2 LEU 19 -0.696 2.394 2.766 142 2HD2 LEU 19 2HD2 LEU 19 -0.653 0.639 2.951 143 3HD2 LEU 19 3HD2 LEU 19 -1.604 1.367 1.656 144 H VAL 20 H VAL 20 2.140 0.089 -1.378 145 HA VAL 20 HA VAL 20 0.346 0.293 -3.766 146 HB VAL 20 HB VAL 20 2.149 -0.821 -5.056 147 1HG1 VAL 20 1HG1 VAL 20 2.175 1.849 -3.992 148 2HG1 VAL 20 2HG1 VAL 20 2.741 1.289 -5.566 149 3HG1 VAL 20 3HG1 VAL 20 3.836 1.293 -4.184 150 1HG2 VAL 20 1HG2 VAL 20 4.459 -0.545 -3.683 151 2HG2 VAL 20 2HG2 VAL 20 3.521 -2.039 -3.673 152 3HG2 VAL 20 3HG2 VAL 20 3.369 -0.894 -2.343 153 H CYS 21 H CYS 21 -0.472 -1.746 -4.500 154 HA CYS 21 HA CYS 21 -1.030 -3.683 -2.427 155 1HB CYS 21 2HB CYS 21 -2.360 -2.902 -4.513 156 2HB CYS 21 1HB CYS 21 -1.362 -4.043 -5.407 157 H SER 22 H SER 22 -0.063 -5.751 -2.115 158 HA SER 22 HA SER 22 2.033 -6.572 -4.074 159 1HB SER 22 2HB SER 22 2.632 -5.169 -1.816 160 2HB SER 22 1HB SER 22 2.743 -6.823 -1.218 161 HG SER 22 HG SER 22 4.673 -5.792 -2.270 162 H SER 23 H SER 23 1.554 -8.637 -4.612 163 HA SER 23 HA SER 23 -0.179 -10.360 -3.156 164 1HB SER 23 2HB SER 23 0.395 -11.914 -4.862 165 2HB SER 23 1HB SER 23 0.584 -10.340 -5.629 166 HG SER 23 HG SER 23 2.367 -12.009 -5.756 167 H ARG 24 H ARG 24 3.142 -9.530 -2.792 168 HA ARG 24 HA ARG 24 3.976 -11.957 -1.385 169 1HB ARG 24 2HB ARG 24 5.334 -10.156 -2.727 170 2HB ARG 24 1HB ARG 24 5.273 -9.238 -1.223 171 1HG ARG 24 2HG ARG 24 5.979 -11.893 -0.522 172 2HG ARG 24 1HG ARG 24 6.983 -11.449 -1.903 173 1HD ARG 24 2HD ARG 24 7.979 -9.650 -0.772 174 2HD ARG 24 1HD ARG 24 6.642 -9.518 0.389 175 HE ARG 24 HE ARG 24 7.423 -11.655 1.392 176 1HH1 ARG 24 1HH2 ARG 24 9.679 -9.680 1.670 177 2HH1 ARG 24 2HH2 ARG 24 11.033 -10.606 1.113 178 1HH2 ARG 24 1HH1 ARG 24 9.076 -13.023 -0.427 179 2HH2 ARG 24 2HH1 ARG 24 10.690 -12.500 -0.077 180 H TRP 25 H TRP 25 3.144 -8.614 -0.514 181 HA TRP 25 HA TRP 25 3.090 -9.293 2.363 182 1HB TRP 25 2HB TRP 25 2.494 -6.766 0.792 183 2HB TRP 25 1HB TRP 25 2.599 -6.861 2.551 184 HD1 TRP 25 HD TRP 25 4.707 -6.440 -0.492 185 HE1 TRP 25 1HE TRP 25 7.204 -6.459 0.145 186 HE3 TRP 25 3HE TRP 25 4.394 -8.062 4.347 187 HZ2 TRP 25 2HZ TRP 25 8.832 -7.065 2.356 188 HZ3 TRP 25 3HZ TRP 25 6.455 -8.351 5.699 189 HH2 TRP 25 HH TRP 25 8.678 -7.854 4.711 190 H LYS 26 H LYS 26 1.057 -9.732 -0.205 191 HA LYS 26 HA LYS 26 -1.246 -10.063 -0.449 192 1HB LYS 26 2HB LYS 26 -2.064 -11.460 1.226 193 2HB LYS 26 1HB LYS 26 -0.331 -11.568 1.498 194 1HG LYS 26 2HG LYS 26 -1.405 -9.328 2.986 195 2HG LYS 26 1HG LYS 26 -2.318 -10.782 3.351 196 1HD LYS 26 2HD LYS 26 0.673 -10.379 3.615 197 2HD LYS 26 1HD LYS 26 -0.484 -10.736 4.891 198 1HE LYS 26 2HE LYS 26 0.054 -12.921 4.580 199 2HE LYS 26 1HE LYS 26 -0.850 -12.817 3.055 200 1HZ LYS 26 1HZ LYS 26 1.172 -13.302 2.190 201 2HZ LYS 26 2HZ LYS 26 2.027 -12.676 3.519 202 3HZ LYS 26 3HZ LYS 26 1.399 -11.628 2.339 203 H TRP 27 H TRP 27 -0.358 -7.315 0.139 204 HA TRP 27 HA TRP 27 -2.872 -6.052 0.411 205 1HB TRP 27 2HB TRP 27 -2.666 -5.184 2.749 206 2HB TRP 27 1HB TRP 27 -2.881 -6.924 2.684 207 HD1 TRP 27 HD TRP 27 0.369 -4.836 2.324 208 HE1 TRP 27 1HE TRP 27 2.065 -5.697 4.063 209 HE3 TRP 27 3HE TRP 27 -2.495 -8.305 4.707 210 HZ2 TRP 27 2HZ TRP 27 2.187 -7.567 6.176 211 HZ3 TRP 27 3HZ TRP 27 -1.571 -9.607 6.604 212 HH2 TRP 27 HH TRP 27 0.770 -9.244 7.345 213 H CYS 28 H CYS 28 -2.460 -3.607 1.243 214 HA CYS 28 HA CYS 28 -0.550 -2.441 -0.549 215 1HB CYS 28 2HB CYS 28 -2.126 -1.471 1.851 216 2HB CYS 28 1HB CYS 28 -1.182 -0.382 0.831 217 H VAL 29 H VAL 29 1.609 -1.861 -0.189 218 HA VAL 29 HA VAL 29 2.655 -2.334 2.579 219 HB VAL 29 HB VAL 29 4.771 -2.980 1.261 220 1HG1 VAL 29 1HG1 VAL 29 3.371 -5.185 0.489 221 2HG1 VAL 29 2HG1 VAL 29 2.236 -4.462 1.630 222 3HG1 VAL 29 3HG1 VAL 29 3.870 -4.876 2.152 223 1HG2 VAL 29 1HG2 VAL 29 3.907 -1.971 -0.882 224 2HG2 VAL 29 2HG2 VAL 29 2.716 -3.270 -0.950 225 3HG2 VAL 29 3HG2 VAL 29 4.436 -3.646 -1.044 226 H LEU 30 H LEU 30 3.977 -0.797 3.425 227 HA LEU 30 HA LEU 30 4.058 1.855 2.546 228 1HB LEU 30 2HB LEU 30 6.230 1.838 3.994 229 2HB LEU 30 1HB LEU 30 4.705 1.403 4.760 230 HG LEU 30 HG LEU 30 5.840 -0.969 3.600 231 1HD1 LEU 30 1HD1 LEU 30 7.789 0.917 4.656 232 2HD1 LEU 30 2HD1 LEU 30 8.057 -0.630 3.852 233 3HD1 LEU 30 3HD1 LEU 30 7.770 -0.578 5.591 234 1HD2 LEU 30 1HD2 LEU 30 5.633 -1.778 5.870 235 2HD2 LEU 30 2HD2 LEU 30 4.264 -0.710 5.558 236 3HD2 LEU 30 3HD2 LEU 30 5.634 -0.133 6.507 237 H ALA 31 H ALA 31 4.575 2.106 0.323 238 HA ALA 31 HA ALA 31 6.946 0.872 -0.855 239 1HB ALA 31 1HB ALA 31 6.016 1.670 -2.798 240 2HB ALA 31 2HB ALA 31 5.654 3.246 -2.093 241 3HB ALA 31 3HB ALA 31 4.594 1.872 -1.777 242 H SER 32 H SER 32 7.896 2.125 1.363 243 HA SER 32 HA SER 32 9.620 3.609 2.007 244 1HB SER 32 2HB SER 32 11.045 3.552 0.251 245 2HB SER 32 1HB SER 32 9.715 3.302 -0.873 246 HG SER 32 HG SER 32 9.856 5.324 -1.402 247 HA PRO 33 HA PRO 33 6.576 6.990 2.176 248 1HB PRO 33 2HB PRO 33 6.995 7.537 4.822 249 2HB PRO 33 1HB PRO 33 5.902 6.254 4.263 250 1HG PRO 33 2HG PRO 33 8.671 6.052 5.327 251 2HG PRO 33 1HG PRO 33 7.291 4.967 5.551 252 1HD PRO 33 2HD PRO 33 9.362 4.488 3.817 253 2HD PRO 33 1HD PRO 33 7.730 3.808 3.638 254 H PHE 34 H PHE 34 8.254 8.095 0.791 255 HA PHE 34 HA PHE 34 10.601 9.335 1.861 256 1HB PHE 34 2HB PHE 34 9.853 8.917 -0.562 257 2HB PHE 34 1HB PHE 34 8.862 10.367 -0.391 258 HD1 PHE 34 1HD PHE 34 12.091 9.127 -1.226 259 HD2 PHE 34 2HD PHE 34 10.083 12.496 0.528 260 HE1 PHE 34 1HE PHE 34 14.075 10.545 -1.678 261 HE2 PHE 34 2HE PHE 34 12.068 13.914 0.077 262 HZ PHE 34 HZ PHE 34 14.062 12.939 -1.027 Start of MODEL 4 1 1H GLU 1 1HT GLU 1 -12.649 6.059 -0.418 2 2H GLU 1 2HT GLU 1 -12.221 4.710 0.522 3 3H GLU 1 3HT GLU 1 -11.898 4.723 -1.146 4 HA GLU 1 HA GLU 1 -10.469 6.795 -0.620 5 1HB GLU 1 2HB GLU 1 -10.595 5.388 2.062 6 2HB GLU 1 1HB GLU 1 -9.768 6.901 1.691 7 1HG GLU 1 2HG GLU 1 -12.759 6.518 1.409 8 2HG GLU 1 1HG GLU 1 -11.994 7.193 2.848 9 H CYS 2 H CYS 2 -8.091 6.216 0.154 10 HA CYS 2 HA CYS 2 -7.177 3.946 -1.365 11 1HB CYS 2 2HB CYS 2 -5.018 4.667 -0.563 12 2HB CYS 2 1HB CYS 2 -5.987 6.121 -0.812 13 H GLY 3 H GLY 3 -5.252 2.798 0.276 14 1HA GLY 3 2HA GLY 3 -6.818 1.541 2.480 15 2HA GLY 3 1HA GLY 3 -5.955 0.529 1.320 16 H LYS 4 H LYS 4 -5.658 1.414 4.360 17 HA LYS 4 HA LYS 4 -2.931 2.468 4.435 18 1HB LYS 4 2HB LYS 4 -4.957 2.636 6.112 19 2HB LYS 4 1HB LYS 4 -4.354 1.085 6.699 20 1HG LYS 4 2HG LYS 4 -2.398 3.317 6.311 21 2HG LYS 4 1HG LYS 4 -3.452 3.359 7.725 22 1HD LYS 4 2HD LYS 4 -2.491 0.696 7.485 23 2HD LYS 4 1HD LYS 4 -1.101 1.767 7.304 24 1HE LYS 4 2HE LYS 4 -1.354 1.341 9.670 25 2HE LYS 4 1HE LYS 4 -1.941 2.993 9.391 26 1HZ LYS 4 1HZ LYS 4 -3.527 0.511 9.693 27 2HZ LYS 4 2HZ LYS 4 -4.179 1.906 8.976 28 3HZ LYS 4 3HZ LYS 4 -3.647 1.945 10.589 29 H PHE 5 H PHE 5 -1.128 1.164 5.440 30 HA PHE 5 HA PHE 5 -0.442 -1.164 4.169 31 1HB PHE 5 2HB PHE 5 0.878 0.216 5.829 32 2HB PHE 5 1HB PHE 5 0.038 -0.651 7.115 33 HD1 PHE 5 1HD PHE 5 1.555 -1.665 3.829 34 HD2 PHE 5 2HD PHE 5 1.389 -2.302 8.072 35 HE1 PHE 5 1HE PHE 5 3.188 -3.523 3.618 36 HE2 PHE 5 2HE PHE 5 3.020 -4.154 7.859 37 HZ PHE 5 HZ PHE 5 3.922 -4.760 5.628 38 H MET 6 H MET 6 -0.835 -3.359 4.410 39 HA MET 6 HA MET 6 -1.797 -5.349 5.228 40 1HB MET 6 2HB MET 6 -2.989 -3.711 7.466 41 2HB MET 6 1HB MET 6 -2.507 -5.403 7.487 42 1HG MET 6 2HG MET 6 -0.115 -4.421 6.947 43 2HG MET 6 1HG MET 6 -0.787 -2.951 7.653 44 1HE MET 6 1HE MET 6 -0.005 -6.396 7.691 45 2HE MET 6 2HE MET 6 -0.851 -7.081 9.078 46 3HE MET 6 3HE MET 6 0.839 -6.609 9.230 47 H TRP 7 H TRP 7 -3.319 -2.845 3.863 48 HA TRP 7 HA TRP 7 -6.103 -3.765 4.355 49 1HB TRP 7 2HB TRP 7 -4.756 -1.400 3.084 50 2HB TRP 7 1HB TRP 7 -6.433 -1.750 2.700 51 HD1 TRP 7 HD TRP 7 -4.740 -2.234 6.121 52 HE1 TRP 7 1HE TRP 7 -6.012 -0.788 7.850 53 HE3 TRP 7 3HE TRP 7 -7.989 0.183 3.037 54 HZ2 TRP 7 2HZ TRP 7 -8.101 1.112 7.915 55 HZ3 TRP 7 3HZ TRP 7 -9.626 1.817 3.954 56 HH2 TRP 7 HH TRP 7 -9.683 2.286 6.392 57 H LYS 8 H LYS 8 -7.113 -5.124 2.946 58 HA LYS 8 HA LYS 8 -5.902 -6.421 0.755 59 1HB LYS 8 2HB LYS 8 -8.309 -6.460 2.149 60 2HB LYS 8 1HB LYS 8 -8.797 -6.017 0.513 61 1HG LYS 8 2HG LYS 8 -8.811 -8.356 0.407 62 2HG LYS 8 1HG LYS 8 -7.205 -7.968 -0.210 63 1HD LYS 8 2HD LYS 8 -6.425 -9.367 1.388 64 2HD LYS 8 1HD LYS 8 -6.806 -8.077 2.527 65 1HE LYS 8 2HE LYS 8 -8.632 -9.181 3.357 66 2HE LYS 8 1HE LYS 8 -9.098 -9.804 1.762 67 1HZ LYS 8 1HZ LYS 8 -7.001 -10.815 3.588 68 2HZ LYS 8 2HZ LYS 8 -6.966 -11.168 1.926 69 3HZ LYS 8 3HZ LYS 8 -8.281 -11.671 2.876 70 H CYS 9 H CYS 9 -5.569 -5.802 -1.356 71 HA CYS 9 HA CYS 9 -6.982 -3.372 -2.376 72 1HB CYS 9 2HB CYS 9 -4.614 -2.961 -3.436 73 2HB CYS 9 1HB CYS 9 -4.885 -2.532 -1.748 74 H LYS 10 H LYS 10 -6.349 -3.207 -4.883 75 HA LYS 10 HA LYS 10 -6.880 -5.906 -6.043 76 1HB LYS 10 2HB LYS 10 -8.116 -4.765 -7.656 77 2HB LYS 10 1HB LYS 10 -8.322 -3.706 -6.266 78 1HG LYS 10 2HG LYS 10 -7.580 -2.053 -7.621 79 2HG LYS 10 1HG LYS 10 -5.984 -2.761 -7.421 80 1HD LYS 10 2HD LYS 10 -6.308 -4.153 -9.404 81 2HD LYS 10 1HD LYS 10 -7.959 -3.553 -9.580 82 1HE LYS 10 2HE LYS 10 -6.747 -1.184 -9.589 83 2HE LYS 10 1HE LYS 10 -5.370 -2.154 -10.149 84 1HZ LYS 10 1HZ LYS 10 -6.572 -2.975 -11.947 85 2HZ LYS 10 2HZ LYS 10 -7.031 -1.340 -11.899 86 3HZ LYS 10 3HZ LYS 10 -8.070 -2.535 -11.285 87 H ASN 11 H ASN 11 -4.631 -3.245 -6.049 88 HA ASN 11 HA ASN 11 -2.487 -4.766 -7.179 89 1HB ASN 11 2HB ASN 11 -4.296 -4.287 -9.077 90 2HB ASN 11 1HB ASN 11 -3.461 -2.734 -9.149 91 1HD2 ASN 11 1HD2 ASN 11 -2.593 -3.342 -11.304 92 2HD2 ASN 11 2HD2 ASN 11 -1.300 -4.437 -11.421 93 H SER 12 H SER 12 -3.915 -1.549 -6.704 94 HA SER 12 HA SER 12 -1.789 -0.498 -5.204 95 1HB SER 12 2HB SER 12 -1.152 -0.888 -7.944 96 2HB SER 12 1HB SER 12 -1.272 0.849 -7.688 97 HG SER 12 HG SER 12 0.215 -0.952 -6.068 98 H ASN 13 H ASN 13 -4.128 0.282 -7.749 99 HA ASN 13 HA ASN 13 -4.461 3.055 -7.198 100 1HB ASN 13 2HB ASN 13 -6.464 0.980 -8.150 101 2HB ASN 13 1HB ASN 13 -6.585 2.722 -8.403 102 1HD2 ASN 13 1HD2 ASN 13 -6.573 1.953 -10.789 103 2HD2 ASN 13 2HD2 ASN 13 -5.059 1.759 -11.530 104 H ASP 14 H ASP 14 -5.259 0.343 -5.270 105 HA ASP 14 HA ASP 14 -7.438 1.762 -3.830 106 1HB ASP 14 2HB ASP 14 -6.218 -0.979 -3.389 107 2HB ASP 14 1HB ASP 14 -7.782 -0.408 -2.804 108 H CYS 15 H CYS 15 -4.038 1.167 -3.601 109 HA CYS 15 HA CYS 15 -3.854 1.416 -0.693 110 1HB CYS 15 2HB CYS 15 -1.799 1.570 -2.918 111 2HB CYS 15 1HB CYS 15 -1.453 1.304 -1.208 112 H CYS 16 H CYS 16 -2.470 3.164 0.266 113 HA CYS 16 HA CYS 16 -3.276 5.820 -0.783 114 1HB CYS 16 2HB CYS 16 -2.887 4.591 1.744 115 2HB CYS 16 1HB CYS 16 -1.712 5.894 1.603 116 H LYS 17 H LYS 17 -1.456 7.562 -0.290 117 HA LYS 17 HA LYS 17 0.608 7.327 -2.166 118 1HB LYS 17 2HB LYS 17 -0.272 9.389 -1.072 119 2HB LYS 17 1HB LYS 17 0.555 8.919 0.414 120 1HG LYS 17 2HG LYS 17 2.184 10.275 -0.492 121 2HG LYS 17 1HG LYS 17 2.640 8.748 -1.252 122 1HD LYS 17 2HD LYS 17 2.562 10.238 -3.070 123 2HD LYS 17 1HD LYS 17 0.982 9.455 -3.131 124 1HE LYS 17 2HE LYS 17 0.155 11.411 -1.654 125 2HE LYS 17 1HE LYS 17 1.658 12.225 -2.130 126 1HZ LYS 17 1HZ LYS 17 -0.536 12.280 -3.626 127 2HZ LYS 17 2HZ LYS 17 0.188 10.875 -4.248 128 3HZ LYS 17 3HZ LYS 17 1.026 12.353 -4.282 129 H ASP 18 H ASP 18 2.920 6.962 -1.875 130 HA ASP 18 HA ASP 18 4.747 5.703 -1.047 131 1HB ASP 18 2HB ASP 18 3.353 6.956 1.300 132 2HB ASP 18 1HB ASP 18 4.689 5.845 1.603 133 H LEU 19 H LEU 19 2.059 4.398 -1.502 134 HA LEU 19 HA LEU 19 2.632 1.897 0.005 135 1HB LEU 19 2HB LEU 19 0.935 3.545 1.107 136 2HB LEU 19 1HB LEU 19 -0.160 3.009 -0.167 137 HG LEU 19 HG LEU 19 0.358 0.629 0.536 138 1HD1 LEU 19 1HD1 LEU 19 1.588 0.179 2.453 139 2HD1 LEU 19 2HD1 LEU 19 1.279 1.769 3.150 140 3HD1 LEU 19 3HD1 LEU 19 2.452 1.592 1.846 141 1HD2 LEU 19 1HD2 LEU 19 -1.019 2.632 2.321 142 2HD2 LEU 19 2HD2 LEU 19 -0.985 0.923 2.755 143 3HD2 LEU 19 3HD2 LEU 19 -1.739 1.434 1.245 144 H VAL 20 H VAL 20 2.152 0.063 -1.219 145 HA VAL 20 HA VAL 20 0.470 0.360 -3.661 146 HB VAL 20 HB VAL 20 2.257 -0.545 -5.048 147 1HG1 VAL 20 1HG1 VAL 20 2.226 1.919 -4.558 148 2HG1 VAL 20 2HG1 VAL 20 3.828 1.300 -4.961 149 3HG1 VAL 20 3HG1 VAL 20 3.407 1.631 -3.280 150 1HG2 VAL 20 1HG2 VAL 20 3.920 -0.588 -2.511 151 2HG2 VAL 20 2HG2 VAL 20 4.454 -1.076 -4.119 152 3HG2 VAL 20 3HG2 VAL 20 3.221 -2.014 -3.278 153 H CYS 21 H CYS 21 -0.681 -1.515 -4.079 154 HA CYS 21 HA CYS 21 -1.040 -3.562 -2.192 155 1HB CYS 21 2HB CYS 21 -2.337 -2.849 -4.324 156 2HB CYS 21 1HB CYS 21 -1.261 -3.952 -5.177 157 H SER 22 H SER 22 -0.213 -5.791 -2.090 158 HA SER 22 HA SER 22 2.079 -6.422 -3.870 159 1HB SER 22 2HB SER 22 2.457 -5.183 -1.455 160 2HB SER 22 1HB SER 22 2.604 -6.878 -1.010 161 HG SER 22 HG SER 22 4.476 -5.481 -2.002 162 H SER 23 H SER 23 1.654 -8.444 -4.579 163 HA SER 23 HA SER 23 -0.195 -10.260 -3.427 164 1HB SER 23 2HB SER 23 0.242 -10.828 -5.604 165 2HB SER 23 1HB SER 23 1.879 -10.182 -5.533 166 HG SER 23 HG SER 23 2.045 -12.384 -5.695 167 H ARG 24 H ARG 24 3.118 -9.523 -2.750 168 HA ARG 24 HA ARG 24 3.729 -11.990 -1.296 169 1HB ARG 24 2HB ARG 24 5.260 -10.256 -2.536 170 2HB ARG 24 1HB ARG 24 5.139 -9.335 -1.037 171 1HG ARG 24 2HG ARG 24 5.816 -11.533 0.142 172 2HG ARG 24 1HG ARG 24 6.317 -12.082 -1.458 173 1HD ARG 24 2HD ARG 24 8.183 -10.783 -1.417 174 2HD ARG 24 1HD ARG 24 7.277 -9.374 -0.832 175 HE ARG 24 HE ARG 24 7.627 -10.122 1.427 176 1HH1 ARG 24 1HH1 ARG 24 8.414 -12.561 -0.854 177 2HH1 ARG 24 2HH1 ARG 24 9.514 -13.389 0.198 178 1HH2 ARG 24 1HH2 ARG 24 9.221 -11.068 2.762 179 2HH2 ARG 24 2HH2 ARG 24 9.970 -12.544 2.249 180 H TRP 25 H TRP 25 2.812 -8.653 -0.540 181 HA TRP 25 HA TRP 25 2.612 -9.312 2.348 182 1HB TRP 25 2HB TRP 25 2.204 -6.740 0.807 183 2HB TRP 25 1HB TRP 25 2.228 -6.897 2.557 184 HD1 TRP 25 HD TRP 25 4.489 -6.415 -0.334 185 HE1 TRP 25 1HE TRP 25 6.950 -6.588 0.422 186 HE3 TRP 25 3HE TRP 25 3.849 -8.321 4.367 187 HZ2 TRP 25 2HZ TRP 25 8.433 -7.412 2.672 188 HZ3 TRP 25 3HZ TRP 25 5.822 -8.795 5.796 189 HH2 TRP 25 HH TRP 25 8.114 -8.342 4.959 190 H LYS 26 H LYS 26 0.703 -9.739 -0.275 191 HA LYS 26 HA LYS 26 -1.622 -9.975 -0.567 192 1HB LYS 26 2HB LYS 26 -2.336 -10.194 2.225 193 2HB LYS 26 1HB LYS 26 -2.279 -11.458 1.008 194 1HG LYS 26 2HG LYS 26 -0.628 -12.340 2.276 195 2HG LYS 26 1HG LYS 26 0.409 -11.098 1.611 196 1HD LYS 26 2HD LYS 26 0.672 -10.271 3.694 197 2HD LYS 26 1HD LYS 26 -1.047 -9.885 3.712 198 1HE LYS 26 2HE LYS 26 0.148 -12.565 4.513 199 2HE LYS 26 1HE LYS 26 -0.491 -11.344 5.630 200 1HZ LYS 26 1HZ LYS 26 -2.272 -12.807 5.201 201 2HZ LYS 26 2HZ LYS 26 -1.960 -12.836 3.531 202 3HZ LYS 26 3HZ LYS 26 -2.584 -11.433 4.258 203 H TRP 27 H TRP 27 -0.521 -7.222 0.059 204 HA TRP 27 HA TRP 27 -2.979 -5.815 0.106 205 1HB TRP 27 2HB TRP 27 -2.830 -4.913 2.476 206 2HB TRP 27 1HB TRP 27 -3.295 -6.604 2.348 207 HD1 TRP 27 HD TRP 27 0.211 -4.960 2.299 208 HE1 TRP 27 1HE TRP 27 1.654 -6.141 4.083 209 HE3 TRP 27 3HE TRP 27 -3.208 -8.158 4.283 210 HZ2 TRP 27 2HZ TRP 27 1.418 -8.109 6.063 211 HZ3 TRP 27 3HZ TRP 27 -2.570 -9.682 6.130 212 HH2 TRP 27 HH TRP 27 -0.256 -9.665 7.026 213 H CYS 28 H CYS 28 -2.584 -3.422 0.879 214 HA CYS 28 HA CYS 28 -0.565 -2.263 -0.735 215 1HB CYS 28 2HB CYS 28 -2.082 -1.247 1.693 216 2HB CYS 28 1HB CYS 28 -1.244 -0.213 0.533 217 H VAL 29 H VAL 29 1.588 -1.849 -0.347 218 HA VAL 29 HA VAL 29 2.595 -2.237 2.450 219 HB VAL 29 HB VAL 29 4.615 -3.201 1.326 220 1HG1 VAL 29 1HG1 VAL 29 3.133 -5.192 0.274 221 2HG1 VAL 29 2HG1 VAL 29 1.872 -4.348 1.172 222 3HG1 VAL 29 3HG1 VAL 29 3.299 -4.955 2.013 223 1HG2 VAL 29 1HG2 VAL 29 4.751 -3.439 -0.980 224 2HG2 VAL 29 2HG2 VAL 29 3.860 -1.922 -0.876 225 3HG2 VAL 29 3HG2 VAL 29 3.002 -3.430 -1.186 226 H LEU 30 H LEU 30 4.428 -0.941 3.025 227 HA LEU 30 HA LEU 30 4.421 1.750 2.182 228 1HB LEU 30 2HB LEU 30 6.688 1.738 3.360 229 2HB LEU 30 1HB LEU 30 5.340 1.096 4.295 230 HG LEU 30 HG LEU 30 6.249 -1.148 2.962 231 1HD1 LEU 30 1HD1 LEU 30 8.420 -0.944 2.413 232 2HD1 LEU 30 2HD1 LEU 30 8.810 -0.376 4.038 233 3HD1 LEU 30 3HD1 LEU 30 8.321 0.775 2.793 234 1HD2 LEU 30 1HD2 LEU 30 7.190 -1.768 5.174 235 2HD2 LEU 30 2HD2 LEU 30 5.610 -1.001 5.333 236 3HD2 LEU 30 3HD2 LEU 30 7.075 -0.083 5.682 237 H ALA 31 H ALA 31 4.424 1.480 -0.218 238 HA ALA 31 HA ALA 31 5.490 1.236 -2.338 239 1HB ALA 31 1HB ALA 31 7.268 2.951 -2.439 240 2HB ALA 31 2HB ALA 31 7.373 2.939 -0.678 241 3HB ALA 31 3HB ALA 31 5.903 3.506 -1.470 242 H SER 32 H SER 32 6.029 -1.181 -1.358 243 HA SER 32 HA SER 32 8.649 -1.913 -0.622 244 1HB SER 32 2HB SER 32 8.004 -4.097 -1.477 245 2HB SER 32 1HB SER 32 6.580 -3.340 -0.768 246 HG SER 32 HG SER 32 5.843 -3.921 -2.702 247 HA PRO 33 HA PRO 33 11.004 -0.900 -4.218 248 1HB PRO 33 2HB PRO 33 13.165 -2.511 -3.738 249 2HB PRO 33 1HB PRO 33 12.868 -1.006 -2.846 250 1HG PRO 33 2HG PRO 33 12.339 -3.823 -2.036 251 2HG PRO 33 1HG PRO 33 12.938 -2.464 -1.071 252 1HD PRO 33 2HD PRO 33 10.359 -3.342 -0.993 253 2HD PRO 33 1HD PRO 33 10.834 -1.661 -0.658 254 H PHE 34 H PHE 34 9.785 -1.840 -5.944 255 HA PHE 34 HA PHE 34 10.814 -4.424 -6.924 256 1HB PHE 34 2HB PHE 34 8.864 -5.646 -6.619 257 2HB PHE 34 1HB PHE 34 8.776 -4.589 -5.214 258 HD1 PHE 34 1HD PHE 34 7.092 -2.867 -5.042 259 HD2 PHE 34 2HD PHE 34 7.509 -5.159 -8.650 260 HE1 PHE 34 1HE PHE 34 4.928 -1.971 -5.862 261 HE2 PHE 34 2HE PHE 34 5.347 -4.262 -9.470 262 HZ PHE 34 HZ PHE 34 4.057 -2.669 -8.076 Start of MODEL 5 1 1H GLU 1 1HT GLU 1 -10.453 4.426 -2.782 2 2H GLU 1 2HT GLU 1 -9.036 3.633 -2.282 3 3H GLU 1 3HT GLU 1 -9.072 4.456 -3.767 4 HA GLU 1 HA GLU 1 -8.688 6.458 -2.830 5 1HB GLU 1 2HB GLU 1 -9.837 6.956 -0.598 6 2HB GLU 1 1HB GLU 1 -10.913 6.564 -1.940 7 1HG GLU 1 2HG GLU 1 -10.121 4.119 -0.671 8 2HG GLU 1 1HG GLU 1 -10.699 5.233 0.570 9 H CYS 2 H CYS 2 -7.868 7.188 -0.340 10 HA CYS 2 HA CYS 2 -5.394 5.707 0.014 11 1HB CYS 2 2HB CYS 2 -6.098 8.228 0.380 12 2HB CYS 2 1HB CYS 2 -6.526 7.662 1.994 13 H GLY 3 H GLY 3 -5.365 3.755 1.071 14 1HA GLY 3 2HA GLY 3 -7.364 3.304 3.239 15 2HA GLY 3 1HA GLY 3 -6.540 2.026 2.345 16 H LYS 4 H LYS 4 -5.291 0.970 3.791 17 HA LYS 4 HA LYS 4 -3.180 2.476 5.219 18 1HB LYS 4 2HB LYS 4 -5.180 2.510 6.686 19 2HB LYS 4 1HB LYS 4 -5.269 0.750 6.594 20 1HG LYS 4 2HG LYS 4 -4.110 1.145 8.615 21 2HG LYS 4 1HG LYS 4 -2.826 0.789 7.459 22 1HD LYS 4 2HD LYS 4 -2.877 3.386 7.045 23 2HD LYS 4 1HD LYS 4 -3.628 3.426 8.640 24 1HE LYS 4 2HE LYS 4 -1.562 1.757 9.174 25 2HE LYS 4 1HE LYS 4 -0.832 2.744 7.892 26 1HZ LYS 4 1HZ LYS 4 -0.700 3.682 10.226 27 2HZ LYS 4 2HZ LYS 4 -2.376 3.936 10.120 28 3HZ LYS 4 3HZ LYS 4 -1.326 4.716 9.037 29 H PHE 5 H PHE 5 -1.413 1.066 5.806 30 HA PHE 5 HA PHE 5 -0.713 -1.057 4.204 31 1HB PHE 5 2HB PHE 5 0.688 0.061 5.922 32 2HB PHE 5 1HB PHE 5 -0.210 -0.779 7.185 33 HD1 PHE 5 1HD PHE 5 0.685 -2.751 8.016 34 HD2 PHE 5 2HD PHE 5 1.640 -1.582 3.993 35 HE1 PHE 5 1HE PHE 5 2.233 -4.678 7.818 36 HE2 PHE 5 2HE PHE 5 3.184 -3.522 3.812 37 HZ PHE 5 HZ PHE 5 3.477 -5.058 5.716 38 H MET 6 H MET 6 -1.007 -3.306 4.258 39 HA MET 6 HA MET 6 -1.954 -5.379 4.841 40 1HB MET 6 2HB MET 6 -3.291 -3.883 7.113 41 2HB MET 6 1HB MET 6 -3.085 -5.620 6.967 42 1HG MET 6 2HG MET 6 -0.503 -4.807 6.707 43 2HG MET 6 1HG MET 6 -1.126 -3.567 7.798 44 1HE MET 6 1HE MET 6 0.828 -6.422 9.834 45 2HE MET 6 2HE MET 6 0.950 -4.804 9.150 46 3HE MET 6 3HE MET 6 1.020 -6.210 8.089 47 H TRP 7 H TRP 7 -3.637 -2.532 4.081 48 HA TRP 7 HA TRP 7 -6.347 -3.483 4.055 49 1HB TRP 7 2HB TRP 7 -4.747 -1.279 2.875 50 2HB TRP 7 1HB TRP 7 -6.240 -1.675 2.035 51 HD1 TRP 7 HD TRP 7 -5.583 -1.767 5.841 52 HE1 TRP 7 1HE TRP 7 -7.325 -0.220 6.971 53 HE3 TRP 7 3HE TRP 7 -7.875 0.137 1.719 54 HZ2 TRP 7 2HZ TRP 7 -9.391 1.565 6.228 55 HZ3 TRP 7 3HZ TRP 7 -9.740 1.767 1.945 56 HH2 TRP 7 HH TRP 7 -10.501 2.486 4.198 57 H LYS 8 H LYS 8 -7.286 -4.956 2.716 58 HA LYS 8 HA LYS 8 -5.864 -6.450 0.744 59 1HB LYS 8 2HB LYS 8 -7.980 -7.007 2.073 60 2HB LYS 8 1HB LYS 8 -8.855 -6.010 0.911 61 1HG LYS 8 2HG LYS 8 -8.992 -7.843 -0.395 62 2HG LYS 8 1HG LYS 8 -7.259 -7.668 -0.672 63 1HD LYS 8 2HD LYS 8 -6.799 -9.501 0.557 64 2HD LYS 8 1HD LYS 8 -7.787 -8.919 1.898 65 1HE LYS 8 2HE LYS 8 -9.819 -9.777 0.821 66 2HE LYS 8 1HE LYS 8 -8.870 -10.304 -0.583 67 1HZ LYS 8 1HZ LYS 8 -8.939 -11.398 2.125 68 2HZ LYS 8 2HZ LYS 8 -7.433 -11.384 1.339 69 3HZ LYS 8 3HZ LYS 8 -8.752 -12.199 0.642 70 H CYS 9 H CYS 9 -5.519 -6.020 -1.420 71 HA CYS 9 HA CYS 9 -7.103 -3.855 -2.729 72 1HB CYS 9 2HB CYS 9 -4.726 -3.239 -3.674 73 2HB CYS 9 1HB CYS 9 -5.193 -2.684 -2.069 74 H LYS 10 H LYS 10 -5.857 -3.807 -5.156 75 HA LYS 10 HA LYS 10 -6.106 -6.633 -6.132 76 1HB LYS 10 2HB LYS 10 -7.273 -5.766 -8.002 77 2HB LYS 10 1HB LYS 10 -7.881 -4.811 -6.651 78 1HG LYS 10 2HG LYS 10 -6.332 -2.994 -7.192 79 2HG LYS 10 1HG LYS 10 -5.619 -3.958 -8.486 80 1HD LYS 10 2HD LYS 10 -8.572 -3.333 -8.438 81 2HD LYS 10 1HD LYS 10 -7.408 -2.223 -9.160 82 1HE LYS 10 2HE LYS 10 -7.275 -3.501 -11.025 83 2HE LYS 10 1HE LYS 10 -6.911 -4.944 -10.056 84 1HZ LYS 10 1HZ LYS 10 -9.072 -5.530 -9.937 85 2HZ LYS 10 2HZ LYS 10 -9.209 -4.617 -11.363 86 3HZ LYS 10 3HZ LYS 10 -9.628 -3.930 -9.867 87 H ASN 11 H ASN 11 -4.410 -3.541 -6.530 88 HA ASN 11 HA ASN 11 -1.991 -4.918 -7.435 89 1HB ASN 11 2HB ASN 11 -3.830 -4.620 -9.349 90 2HB ASN 11 1HB ASN 11 -3.126 -3.005 -9.430 91 1HD2 ASN 11 1HD2 ASN 11 -1.077 -2.789 -10.424 92 2HD2 ASN 11 2HD2 ASN 11 -0.170 -4.099 -11.008 93 H SER 12 H SER 12 -3.699 -1.791 -7.370 94 HA SER 12 HA SER 12 -1.950 -0.453 -5.636 95 1HB SER 12 2HB SER 12 -0.119 -0.768 -7.070 96 2HB SER 12 1HB SER 12 -1.106 -0.591 -8.518 97 HG SER 12 HG SER 12 -0.612 1.495 -6.655 98 H ASN 13 H ASN 13 -4.755 -0.468 -6.636 99 HA ASN 13 HA ASN 13 -4.994 2.397 -7.488 100 1HB ASN 13 2HB ASN 13 -6.588 -0.112 -7.999 101 2HB ASN 13 1HB ASN 13 -7.306 1.481 -8.246 102 1HD2 ASN 13 1HD2 ASN 13 -7.355 1.336 -10.582 103 2HD2 ASN 13 2HD2 ASN 13 -5.937 1.326 -11.514 104 H ASP 14 H ASP 14 -5.141 0.569 -4.782 105 HA ASP 14 HA ASP 14 -7.283 2.288 -3.586 106 1HB ASP 14 2HB ASP 14 -7.273 -0.528 -4.052 107 2HB ASP 14 1HB ASP 14 -7.153 -0.278 -2.310 108 H CYS 15 H CYS 15 -4.064 1.391 -3.533 109 HA CYS 15 HA CYS 15 -3.654 1.277 -0.640 110 1HB CYS 15 2HB CYS 15 -1.823 1.584 -3.038 111 2HB CYS 15 1HB CYS 15 -1.268 1.279 -1.392 112 H CYS 16 H CYS 16 -2.862 2.951 0.664 113 HA CYS 16 HA CYS 16 -3.510 5.656 0.050 114 1HB CYS 16 2HB CYS 16 -2.285 4.067 2.164 115 2HB CYS 16 1HB CYS 16 -1.555 5.665 2.030 116 H LYS 17 H LYS 17 -1.814 7.459 0.089 117 HA LYS 17 HA LYS 17 -0.122 7.378 -2.136 118 1HB LYS 17 2HB LYS 17 -0.977 9.350 -0.791 119 2HB LYS 17 1HB LYS 17 0.290 9.004 0.385 120 1HG LYS 17 2HG LYS 17 1.931 9.116 -1.586 121 2HG LYS 17 1HG LYS 17 0.607 9.841 -2.500 122 1HD LYS 17 2HD LYS 17 0.868 11.085 0.112 123 2HD LYS 17 1HD LYS 17 2.383 11.178 -0.787 124 1HE LYS 17 2HE LYS 17 1.411 13.005 -1.772 125 2HE LYS 17 1HE LYS 17 0.536 11.800 -2.738 126 1HZ LYS 17 1HZ LYS 17 -1.035 11.690 -0.749 127 2HZ LYS 17 2HZ LYS 17 -1.147 13.058 -1.751 128 3HZ LYS 17 3HZ LYS 17 -0.338 13.157 -0.260 129 H ASP 18 H ASP 18 2.152 7.073 -2.357 130 HA ASP 18 HA ASP 18 4.234 6.061 -1.918 131 1HB ASP 18 2HB ASP 18 3.267 7.085 0.747 132 2HB ASP 18 1HB ASP 18 4.789 6.200 0.637 133 H LEU 19 H LEU 19 1.475 4.588 -1.555 134 HA LEU 19 HA LEU 19 2.661 2.163 -0.259 135 1HB LEU 19 2HB LEU 19 0.826 3.533 0.969 136 2HB LEU 19 1HB LEU 19 -0.273 2.878 -0.245 137 HG LEU 19 HG LEU 19 0.440 0.578 0.386 138 1HD1 LEU 19 1HD1 LEU 19 1.950 2.026 2.587 139 2HD1 LEU 19 2HD1 LEU 19 2.682 1.166 1.238 140 3HD1 LEU 19 3HD1 LEU 19 1.764 0.278 2.449 141 1HD2 LEU 19 1HD2 LEU 19 -0.722 0.530 2.555 142 2HD2 LEU 19 2HD2 LEU 19 -1.540 1.633 1.449 143 3HD2 LEU 19 3HD2 LEU 19 -0.502 2.272 2.723 144 H VAL 20 H VAL 20 2.449 0.277 -1.444 145 HA VAL 20 HA VAL 20 0.710 0.365 -3.885 146 HB VAL 20 HB VAL 20 2.657 -0.945 -4.932 147 1HG1 VAL 20 1HG1 VAL 20 3.206 1.032 -5.871 148 2HG1 VAL 20 2HG1 VAL 20 3.883 1.632 -4.358 149 3HG1 VAL 20 3HG1 VAL 20 2.158 1.801 -4.679 150 1HG2 VAL 20 1HG2 VAL 20 4.798 -0.829 -3.870 151 2HG2 VAL 20 2HG2 VAL 20 3.676 -1.386 -2.628 152 3HG2 VAL 20 3HG2 VAL 20 4.207 0.296 -2.646 153 H CYS 21 H CYS 21 -0.350 -1.577 -4.333 154 HA CYS 21 HA CYS 21 -0.677 -3.504 -2.217 155 1HB CYS 21 2HB CYS 21 -2.294 -2.771 -4.034 156 2HB CYS 21 1HB CYS 21 -1.363 -3.762 -5.154 157 H SER 22 H SER 22 0.036 -5.712 -2.153 158 HA SER 22 HA SER 22 1.975 -6.597 -4.227 159 1HB SER 22 2HB SER 22 2.958 -5.260 -2.164 160 2HB SER 22 1HB SER 22 2.750 -6.801 -1.336 161 HG SER 22 HG SER 22 3.830 -7.551 -3.473 162 H SER 23 H SER 23 1.419 -8.662 -4.711 163 HA SER 23 HA SER 23 -0.445 -10.211 -3.209 164 1HB SER 23 2HB SER 23 -0.224 -11.682 -5.005 165 2HB SER 23 1HB SER 23 0.361 -10.185 -5.726 166 HG SER 23 HG SER 23 1.655 -12.388 -5.633 167 H ARG 24 H ARG 24 2.986 -9.797 -2.968 168 HA ARG 24 HA ARG 24 3.534 -12.349 -1.644 169 1HB ARG 24 2HB ARG 24 5.066 -10.693 -3.003 170 2HB ARG 24 1HB ARG 24 5.216 -9.857 -1.458 171 1HG ARG 24 2HG ARG 24 5.923 -12.022 -0.412 172 2HG ARG 24 1HG ARG 24 5.913 -12.753 -2.017 173 1HD ARG 24 2HD ARG 24 8.083 -12.066 -2.152 174 2HD ARG 24 1HD ARG 24 7.417 -10.436 -2.381 175 HE ARG 24 HE ARG 24 7.614 -10.084 0.048 176 1HH1 ARG 24 1HH2 ARG 24 10.229 -11.368 -1.257 177 2HH1 ARG 24 2HH2 ARG 24 10.746 -12.324 0.091 178 1HH2 ARG 24 1HH1 ARG 24 7.750 -12.004 1.807 179 2HH2 ARG 24 2HH1 ARG 24 9.342 -12.686 1.826 180 H TRP 25 H TRP 25 3.082 -8.968 -0.672 181 HA TRP 25 HA TRP 25 3.228 -9.641 2.195 182 1HB TRP 25 2HB TRP 25 2.549 -7.105 0.669 183 2HB TRP 25 1HB TRP 25 2.834 -7.194 2.407 184 HD1 TRP 25 HD TRP 25 4.620 -7.135 -0.917 185 HE1 TRP 25 1HE TRP 25 7.166 -7.075 -0.518 186 HE3 TRP 25 3HE TRP 25 4.762 -8.002 4.116 187 HZ2 TRP 25 2HZ TRP 25 8.995 -7.351 1.603 188 HZ3 TRP 25 3HZ TRP 25 6.937 -8.097 5.303 189 HH2 TRP 25 HH TRP 25 9.059 -7.773 4.056 190 H LYS 26 H LYS 26 0.885 -9.526 -0.302 191 HA LYS 26 HA LYS 26 -1.403 -10.060 -0.265 192 1HB LYS 26 2HB LYS 26 -1.959 -11.440 1.464 193 2HB LYS 26 1HB LYS 26 -0.279 -11.236 1.943 194 1HG LYS 26 2HG LYS 26 -1.428 -9.029 3.084 195 2HG LYS 26 1HG LYS 26 -2.740 -10.192 3.204 196 1HD LYS 26 2HD LYS 26 0.031 -10.331 4.383 197 2HD LYS 26 1HD LYS 26 -1.524 -10.508 5.194 198 1HE LYS 26 2HE LYS 26 -1.462 -12.541 3.223 199 2HE LYS 26 1HE LYS 26 0.122 -12.573 4.024 200 1HZ LYS 26 1HZ LYS 26 -1.333 -12.191 6.138 201 2HZ LYS 26 2HZ LYS 26 -1.131 -13.760 5.516 202 3HZ LYS 26 3HZ LYS 26 -2.555 -12.892 5.194 203 H TRP 27 H TRP 27 -0.341 -7.214 0.148 204 HA TRP 27 HA TRP 27 -2.855 -5.920 0.484 205 1HB TRP 27 2HB TRP 27 -2.459 -4.968 2.778 206 2HB TRP 27 1HB TRP 27 -2.723 -6.704 2.782 207 HD1 TRP 27 HD TRP 27 0.510 -4.697 2.110 208 HE1 TRP 27 1HE TRP 27 2.348 -5.554 3.687 209 HE3 TRP 27 3HE TRP 27 -2.167 -8.069 4.844 210 HZ2 TRP 27 2HZ TRP 27 2.652 -7.372 5.816 211 HZ3 TRP 27 3HZ TRP 27 -1.069 -9.339 6.669 212 HH2 TRP 27 HH TRP 27 1.337 -8.997 7.161 213 H CYS 28 H CYS 28 -2.460 -3.459 1.110 214 HA CYS 28 HA CYS 28 -0.573 -2.348 -0.754 215 1HB CYS 28 2HB CYS 28 -2.142 -1.250 1.600 216 2HB CYS 28 1HB CYS 28 -1.256 -0.222 0.472 217 H VAL 29 H VAL 29 1.607 -2.744 -0.376 218 HA VAL 29 HA VAL 29 2.654 -2.711 2.376 219 HB VAL 29 HB VAL 29 4.739 -3.429 1.161 220 1HG1 VAL 29 1HG1 VAL 29 3.566 -5.283 1.886 221 2HG1 VAL 29 2HG1 VAL 29 3.437 -5.533 0.145 222 3HG1 VAL 29 3HG1 VAL 29 2.094 -4.814 1.034 223 1HG2 VAL 29 1HG2 VAL 29 2.977 -3.635 -1.274 224 2HG2 VAL 29 2HG2 VAL 29 4.737 -3.698 -1.176 225 3HG2 VAL 29 3HG2 VAL 29 3.895 -2.164 -0.956 226 H LEU 30 H LEU 30 4.069 -1.232 3.196 227 HA LEU 30 HA LEU 30 4.112 1.454 2.306 228 1HB LEU 30 2HB LEU 30 6.113 1.517 3.908 229 2HB LEU 30 1HB LEU 30 4.605 0.887 4.571 230 HG LEU 30 HG LEU 30 5.942 -1.316 3.382 231 1HD1 LEU 30 1HD1 LEU 30 8.090 -1.317 4.537 232 2HD1 LEU 30 2HD1 LEU 30 7.741 0.258 5.251 233 3HD1 LEU 30 3HD1 LEU 30 7.992 0.115 3.511 234 1HD2 LEU 30 1HD2 LEU 30 4.906 -2.060 5.245 235 2HD2 LEU 30 2HD2 LEU 30 4.877 -0.445 5.953 236 3HD2 LEU 30 3HD2 LEU 30 6.300 -1.469 6.149 237 H ALA 31 H ALA 31 5.138 2.314 0.548 238 HA ALA 31 HA ALA 31 7.231 0.785 -0.845 239 1HB ALA 31 1HB ALA 31 5.224 2.277 -1.725 240 2HB ALA 31 2HB ALA 31 6.751 2.244 -2.607 241 3HB ALA 31 3HB ALA 31 6.387 3.586 -1.522 242 H SER 32 H SER 32 8.072 1.508 1.718 243 HA SER 32 HA SER 32 9.960 3.794 1.250 244 1HB SER 32 2HB SER 32 8.181 3.076 3.344 245 2HB SER 32 1HB SER 32 9.811 2.865 3.975 246 HG SER 32 HG SER 32 9.220 5.153 2.472 247 HA PRO 33 HA PRO 33 12.851 0.327 1.183 248 1HB PRO 33 2HB PRO 33 14.855 1.710 -0.062 249 2HB PRO 33 1HB PRO 33 13.490 0.990 -0.938 250 1HG PRO 33 2HG PRO 33 13.982 3.816 -0.198 251 2HG PRO 33 1HG PRO 33 13.177 3.142 -1.622 252 1HD PRO 33 2HD PRO 33 11.883 4.240 0.564 253 2HD PRO 33 1HD PRO 33 11.145 3.129 -0.610 254 H PHE 34 H PHE 34 12.991 0.604 3.583 255 HA PHE 34 HA PHE 34 15.027 2.546 4.544 256 1HB PHE 34 2HB PHE 34 12.603 1.488 5.495 257 2HB PHE 34 1HB PHE 34 13.848 0.781 6.524 258 HD1 PHE 34 1HD PHE 34 14.439 1.996 8.418 259 HD2 PHE 34 2HD PHE 34 13.096 4.093 4.918 260 HE1 PHE 34 1HE PHE 34 14.667 4.153 9.624 261 HE2 PHE 34 2HE PHE 34 13.324 6.249 6.122 262 HZ PHE 34 HZ PHE 34 14.108 6.279 8.475 Start of MODEL 6 1 1H GLU 1 1HT GLU 1 -11.532 5.175 -0.866 2 2H GLU 1 2HT GLU 1 -11.643 6.342 -2.096 3 3H GLU 1 3HT GLU 1 -12.235 6.685 -0.540 4 HA GLU 1 HA GLU 1 -9.883 7.562 -1.317 5 1HB GLU 1 2HB GLU 1 -9.339 7.329 1.203 6 2HB GLU 1 1HB GLU 1 -10.850 8.134 0.779 7 1HG GLU 1 2HG GLU 1 -11.175 5.243 0.973 8 2HG GLU 1 1HG GLU 1 -10.581 5.943 2.479 9 H CYS 2 H CYS 2 -7.717 6.804 0.038 10 HA CYS 2 HA CYS 2 -6.806 4.384 -1.309 11 1HB CYS 2 2HB CYS 2 -4.700 5.055 -0.499 12 2HB CYS 2 1HB CYS 2 -5.564 6.581 -0.651 13 H GLY 3 H GLY 3 -5.183 3.321 0.767 14 1HA GLY 3 2HA GLY 3 -7.121 2.420 2.818 15 2HA GLY 3 1HA GLY 3 -6.379 1.186 1.801 16 H LYS 4 H LYS 4 -6.113 1.500 4.690 17 HA LYS 4 HA LYS 4 -3.446 2.575 5.225 18 1HB LYS 4 2HB LYS 4 -5.770 1.909 6.634 19 2HB LYS 4 1HB LYS 4 -4.576 0.732 7.183 20 1HG LYS 4 2HG LYS 4 -3.615 3.528 6.967 21 2HG LYS 4 1HG LYS 4 -4.802 3.223 8.236 22 1HD LYS 4 2HD LYS 4 -2.648 1.205 8.000 23 2HD LYS 4 1HD LYS 4 -2.135 2.801 8.549 24 1HE LYS 4 2HE LYS 4 -4.614 1.905 9.847 25 2HE LYS 4 1HE LYS 4 -3.228 0.847 10.182 26 1HZ LYS 4 1HZ LYS 4 -2.806 2.473 11.695 27 2HZ LYS 4 2HZ LYS 4 -3.592 3.684 10.799 28 3HZ LYS 4 3HZ LYS 4 -2.030 3.178 10.362 29 H PHE 5 H PHE 5 -1.735 1.093 6.170 30 HA PHE 5 HA PHE 5 -0.875 -0.882 4.424 31 1HB PHE 5 2HB PHE 5 0.393 0.219 6.280 32 2HB PHE 5 1HB PHE 5 -0.468 -0.808 7.425 33 HD1 PHE 5 1HD PHE 5 0.533 -1.984 4.059 34 HD2 PHE 5 2HD PHE 5 1.508 -1.960 8.239 35 HE1 PHE 5 1HE PHE 5 2.186 -3.786 3.685 36 HE2 PHE 5 2HE PHE 5 3.161 -3.766 7.864 37 HZ PHE 5 HZ PHE 5 3.502 -4.678 5.583 38 H MET 6 H MET 6 -1.016 -3.138 4.371 39 HA MET 6 HA MET 6 -1.828 -5.286 4.823 40 1HB MET 6 2HB MET 6 -3.289 -4.054 7.167 41 2HB MET 6 1HB MET 6 -2.772 -5.724 6.974 42 1HG MET 6 2HG MET 6 -0.515 -3.928 6.683 43 2HG MET 6 1HG MET 6 -1.329 -3.667 8.224 44 1HE MET 6 1HE MET 6 0.833 -4.057 8.955 45 2HE MET 6 2HE MET 6 1.878 -5.279 8.235 46 3HE MET 6 3HE MET 6 1.163 -5.564 9.819 47 H TRP 7 H TRP 7 -3.671 -2.596 4.061 48 HA TRP 7 HA TRP 7 -6.331 -3.737 4.101 49 1HB TRP 7 2HB TRP 7 -4.910 -1.388 2.932 50 2HB TRP 7 1HB TRP 7 -6.458 -1.826 2.213 51 HD1 TRP 7 HD TRP 7 -5.625 -2.262 5.931 52 HE1 TRP 7 1HE TRP 7 -7.233 -0.767 7.300 53 HE3 TRP 7 3HE TRP 7 -7.975 0.229 2.148 54 HZ2 TRP 7 2HZ TRP 7 -9.214 1.196 6.859 55 HZ3 TRP 7 3HZ TRP 7 -9.727 1.921 2.651 56 HH2 TRP 7 HH TRP 7 -10.351 2.404 5.004 57 H LYS 8 H LYS 8 -7.241 -5.149 2.644 58 HA LYS 8 HA LYS 8 -5.630 -6.384 0.584 59 1HB LYS 8 2HB LYS 8 -7.704 -7.635 0.163 60 2HB LYS 8 1HB LYS 8 -7.415 -7.502 1.896 61 1HG LYS 8 2HG LYS 8 -9.407 -6.498 2.160 62 2HG LYS 8 1HG LYS 8 -8.906 -5.206 1.068 63 1HD LYS 8 2HD LYS 8 -10.995 -6.483 0.364 64 2HD LYS 8 1HD LYS 8 -9.719 -6.389 -0.849 65 1HE LYS 8 2HE LYS 8 -9.111 -8.638 -0.576 66 2HE LYS 8 1HE LYS 8 -9.804 -8.727 1.054 67 1HZ LYS 8 1HZ LYS 8 -11.728 -7.933 -0.912 68 2HZ LYS 8 2HZ LYS 8 -11.814 -9.178 0.242 69 3HZ LYS 8 3HZ LYS 8 -11.067 -9.456 -1.259 70 H CYS 9 H CYS 9 -5.472 -5.836 -1.545 71 HA CYS 9 HA CYS 9 -7.432 -3.902 -2.701 72 1HB CYS 9 2HB CYS 9 -5.136 -3.063 -3.808 73 2HB CYS 9 1HB CYS 9 -5.698 -2.442 -2.260 74 H LYS 10 H LYS 10 -6.253 -3.661 -5.188 75 HA LYS 10 HA LYS 10 -6.471 -6.453 -6.245 76 1HB LYS 10 2HB LYS 10 -7.422 -5.429 -8.197 77 2HB LYS 10 1HB LYS 10 -8.168 -4.636 -6.808 78 1HG LYS 10 2HG LYS 10 -6.386 -2.847 -6.995 79 2HG LYS 10 1HG LYS 10 -5.898 -3.589 -8.520 80 1HD LYS 10 2HD LYS 10 -7.418 -1.876 -9.144 81 2HD LYS 10 1HD LYS 10 -8.362 -3.363 -9.223 82 1HE LYS 10 2HE LYS 10 -8.692 -2.602 -6.583 83 2HE LYS 10 1HE LYS 10 -8.698 -1.049 -7.444 84 1HZ LYS 10 1HZ LYS 10 -10.898 -1.911 -7.550 85 2HZ LYS 10 2HZ LYS 10 -10.351 -3.444 -8.035 86 3HZ LYS 10 3HZ LYS 10 -10.217 -2.117 -9.089 87 H ASN 11 H ASN 11 -4.615 -3.433 -6.521 88 HA ASN 11 HA ASN 11 -2.212 -4.891 -7.299 89 1HB ASN 11 2HB ASN 11 -4.115 -4.211 -9.271 90 2HB ASN 11 1HB ASN 11 -2.779 -3.077 -9.474 91 1HD2 ASN 11 1HD2 ASN 11 -2.512 -4.445 -11.571 92 2HD2 ASN 11 2HD2 ASN 11 -1.552 -5.841 -11.458 93 H SER 12 H SER 12 -3.868 -1.747 -7.318 94 HA SER 12 HA SER 12 -2.052 -0.427 -5.624 95 1HB SER 12 2HB SER 12 -1.143 -0.902 -8.344 96 2HB SER 12 1HB SER 12 -1.162 0.820 -7.971 97 HG SER 12 HG SER 12 0.286 -1.273 -6.792 98 H ASN 13 H ASN 13 -4.901 -0.467 -6.487 99 HA ASN 13 HA ASN 13 -5.227 2.405 -7.287 100 1HB ASN 13 2HB ASN 13 -6.107 0.603 -8.802 101 2HB ASN 13 1HB ASN 13 -7.168 0.079 -7.493 102 1HD2 ASN 13 1HD2 ASN 13 -6.601 2.640 -9.864 103 2HD2 ASN 13 2HD2 ASN 13 -8.075 3.444 -9.614 104 H ASP 14 H ASP 14 -5.124 0.599 -4.581 105 HA ASP 14 HA ASP 14 -7.294 2.184 -3.248 106 1HB ASP 14 2HB ASP 14 -6.451 -0.696 -2.779 107 2HB ASP 14 1HB ASP 14 -7.703 0.157 -1.877 108 H CYS 15 H CYS 15 -3.984 1.365 -3.353 109 HA CYS 15 HA CYS 15 -3.411 1.595 -0.502 110 1HB CYS 15 2HB CYS 15 -1.583 1.862 -2.905 111 2HB CYS 15 1HB CYS 15 -1.132 1.369 -1.273 112 H CYS 16 H CYS 16 -2.212 3.373 0.453 113 HA CYS 16 HA CYS 16 -2.975 6.020 -0.625 114 1HB CYS 16 2HB CYS 16 -2.482 4.825 1.906 115 2HB CYS 16 1HB CYS 16 -1.303 6.116 1.685 116 H LYS 17 H LYS 17 -1.180 7.766 -0.475 117 HA LYS 17 HA LYS 17 0.838 7.346 -2.346 118 1HB LYS 17 2HB LYS 17 0.015 9.504 -1.320 119 2HB LYS 17 1HB LYS 17 0.998 9.132 0.099 120 1HG LYS 17 2HG LYS 17 2.949 8.864 -1.599 121 2HG LYS 17 1HG LYS 17 1.905 9.755 -2.707 122 1HD LYS 17 2HD LYS 17 1.941 11.690 -1.396 123 2HD LYS 17 1HD LYS 17 2.378 10.810 0.069 124 1HE LYS 17 2HE LYS 17 4.630 10.375 -0.841 125 2HE LYS 17 1HE LYS 17 4.198 11.240 -2.329 126 1HZ LYS 17 1HZ LYS 17 3.752 13.213 -1.070 127 2HZ LYS 17 2HZ LYS 17 5.312 12.673 -0.668 128 3HZ LYS 17 3HZ LYS 17 4.017 12.405 0.398 129 H ASP 18 H ASP 18 3.117 6.854 -2.124 130 HA ASP 18 HA ASP 18 4.939 5.642 -1.230 131 1HB ASP 18 2HB ASP 18 3.613 7.057 1.059 132 2HB ASP 18 1HB ASP 18 4.897 5.903 1.421 133 H LEU 19 H LEU 19 1.998 4.537 -1.349 134 HA LEU 19 HA LEU 19 2.607 2.017 0.142 135 1HB LEU 19 2HB LEU 19 0.901 3.803 1.137 136 2HB LEU 19 1HB LEU 19 -0.193 3.085 -0.047 137 HG LEU 19 HG LEU 19 0.303 0.835 0.889 138 1HD1 LEU 19 1HD1 LEU 19 2.203 2.478 2.485 139 2HD1 LEU 19 2HD1 LEU 19 2.339 0.811 1.943 140 3HD1 LEU 19 3HD1 LEU 19 1.363 1.195 3.354 141 1HD2 LEU 19 1HD2 LEU 19 -0.555 1.690 3.370 142 2HD2 LEU 19 2HD2 LEU 19 -1.603 1.416 1.979 143 3HD2 LEU 19 3HD2 LEU 19 -1.011 3.040 2.329 144 H VAL 20 H VAL 20 2.090 0.172 -1.064 145 HA VAL 20 HA VAL 20 0.414 0.502 -3.510 146 HB VAL 20 HB VAL 20 2.286 -0.754 -4.728 147 1HG1 VAL 20 1HG1 VAL 20 1.774 1.894 -4.477 148 2HG1 VAL 20 2HG1 VAL 20 3.079 1.259 -5.480 149 3HG1 VAL 20 3HG1 VAL 20 3.422 1.846 -3.853 150 1HG2 VAL 20 1HG2 VAL 20 3.583 -1.574 -2.893 151 2HG2 VAL 20 2HG2 VAL 20 3.689 0.026 -2.161 152 3HG2 VAL 20 3HG2 VAL 20 4.563 -0.320 -3.652 153 H CYS 21 H CYS 21 -0.543 -1.463 -4.199 154 HA CYS 21 HA CYS 21 -0.960 -3.479 -2.185 155 1HB CYS 21 2HB CYS 21 -2.393 -2.636 -4.198 156 2HB CYS 21 1HB CYS 21 -1.486 -3.825 -5.128 157 H SER 22 H SER 22 -0.096 -5.578 -2.043 158 HA SER 22 HA SER 22 1.965 -6.372 -4.052 159 1HB SER 22 2HB SER 22 2.271 -6.053 -1.061 160 2HB SER 22 1HB SER 22 3.406 -6.984 -2.035 161 HG SER 22 HG SER 22 4.096 -5.189 -2.975 162 H SER 23 H SER 23 1.562 -8.452 -4.640 163 HA SER 23 HA SER 23 -0.383 -10.101 -3.341 164 1HB SER 23 2HB SER 23 0.013 -11.507 -5.173 165 2HB SER 23 1HB SER 23 0.526 -9.944 -5.800 166 HG SER 23 HG SER 23 2.211 -11.256 -6.210 167 H ARG 24 H ARG 24 3.062 -9.698 -2.985 168 HA ARG 24 HA ARG 24 3.542 -12.269 -1.673 169 1HB ARG 24 2HB ARG 24 5.061 -10.453 -2.973 170 2HB ARG 24 1HB ARG 24 5.336 -9.917 -1.315 171 1HG ARG 24 2HG ARG 24 6.070 -12.152 -0.670 172 2HG ARG 24 1HG ARG 24 5.699 -12.766 -2.283 173 1HD ARG 24 2HD ARG 24 8.022 -12.357 -2.411 174 2HD ARG 24 1HD ARG 24 7.338 -10.863 -3.083 175 HE ARG 24 HE ARG 24 7.676 -9.794 -0.895 176 1HH1 ARG 24 1HH1 ARG 24 8.069 -13.035 -0.273 177 2HH1 ARG 24 2HH1 ARG 24 9.560 -12.886 0.595 178 1HH2 ARG 24 1HH2 ARG 24 10.003 -9.544 -0.218 179 2HH2 ARG 24 2HH2 ARG 24 10.656 -10.908 0.626 180 H TRP 25 H TRP 25 3.166 -8.891 -0.656 181 HA TRP 25 HA TRP 25 3.311 -9.592 2.199 182 1HB TRP 25 2HB TRP 25 2.667 -7.048 0.683 183 2HB TRP 25 1HB TRP 25 2.977 -7.135 2.418 184 HD1 TRP 25 HD TRP 25 4.710 -6.599 -0.770 185 HE1 TRP 25 1HE TRP 25 7.261 -6.810 -0.487 186 HE3 TRP 25 3HE TRP 25 4.925 -8.744 3.864 187 HZ2 TRP 25 2HZ TRP 25 9.123 -7.742 1.406 188 HZ3 TRP 25 3HZ TRP 25 7.122 -9.286 4.883 189 HH2 TRP 25 HH TRP 25 9.225 -8.790 3.661 190 H LYS 26 H LYS 26 0.935 -9.452 -0.259 191 HA LYS 26 HA LYS 26 -1.360 -9.960 -0.177 192 1HB LYS 26 2HB LYS 26 -1.860 -11.344 1.559 193 2HB LYS 26 1HB LYS 26 -0.183 -11.099 2.029 194 1HG LYS 26 2HG LYS 26 -1.365 -8.907 3.162 195 2HG LYS 26 1HG LYS 26 -2.659 -10.091 3.287 196 1HD LYS 26 2HD LYS 26 0.125 -10.205 4.445 197 2HD LYS 26 1HD LYS 26 -1.420 -10.350 5.281 198 1HE LYS 26 2HE LYS 26 -1.836 -12.524 4.184 199 2HE LYS 26 1HE LYS 26 -0.293 -12.388 3.322 200 1HZ LYS 26 1HZ LYS 26 -0.783 -12.759 6.194 201 2HZ LYS 26 2HZ LYS 26 0.602 -11.906 5.705 202 3HZ LYS 26 3HZ LYS 26 0.364 -13.510 5.196 203 H TRP 27 H TRP 27 -0.261 -7.112 0.212 204 HA TRP 27 HA TRP 27 -2.773 -5.823 0.587 205 1HB TRP 27 2HB TRP 27 -2.277 -4.831 2.865 206 2HB TRP 27 1HB TRP 27 -2.602 -6.559 2.878 207 HD1 TRP 27 HD TRP 27 0.677 -4.714 2.059 208 HE1 TRP 27 1HE TRP 27 2.544 -5.630 3.576 209 HE3 TRP 27 3HE TRP 27 -2.042 -7.881 4.977 210 HZ2 TRP 27 2HZ TRP 27 2.843 -7.417 5.735 211 HZ3 TRP 27 3HZ TRP 27 -0.936 -9.168 6.785 212 HH2 TRP 27 HH TRP 27 1.503 -8.942 7.170 213 H CYS 28 H CYS 28 -2.436 -3.360 1.078 214 HA CYS 28 HA CYS 28 -0.602 -2.258 -0.838 215 1HB CYS 28 2HB CYS 28 -2.252 -1.171 1.456 216 2HB CYS 28 1HB CYS 28 -1.312 -0.106 0.405 217 H VAL 29 H VAL 29 1.543 -3.006 -0.283 218 HA VAL 29 HA VAL 29 2.649 -2.557 2.383 219 HB VAL 29 HB VAL 29 4.692 -3.406 1.324 220 1HG1 VAL 29 1HG1 VAL 29 3.356 -5.205 1.919 221 2HG1 VAL 29 2HG1 VAL 29 3.507 -5.475 0.184 222 3HG1 VAL 29 3HG1 VAL 29 2.051 -4.727 0.833 223 1HG2 VAL 29 1HG2 VAL 29 3.097 -3.218 -1.253 224 2HG2 VAL 29 2HG2 VAL 29 4.708 -3.912 -1.088 225 3HG2 VAL 29 3HG2 VAL 29 4.460 -2.187 -0.819 226 H LEU 30 H LEU 30 4.169 -1.017 2.982 227 HA LEU 30 HA LEU 30 4.010 1.591 1.875 228 1HB LEU 30 2HB LEU 30 6.052 1.936 3.339 229 2HB LEU 30 1HB LEU 30 4.689 1.176 4.160 230 HG LEU 30 HG LEU 30 5.979 -1.020 3.172 231 1HD1 LEU 30 1HD1 LEU 30 8.147 -0.627 2.719 232 2HD1 LEU 30 2HD1 LEU 30 8.363 0.176 4.274 233 3HD1 LEU 30 3HD1 LEU 30 7.823 1.100 2.873 234 1HD2 LEU 30 1HD2 LEU 30 6.656 -1.416 5.441 235 2HD2 LEU 30 2HD2 LEU 30 5.171 -0.467 5.526 236 3HD2 LEU 30 3HD2 LEU 30 6.732 0.313 5.786 237 H ALA 31 H ALA 31 4.926 2.383 0.019 238 HA ALA 31 HA ALA 31 6.972 0.775 -1.372 239 1HB ALA 31 1HB ALA 31 5.534 3.352 -2.086 240 2HB ALA 31 2HB ALA 31 5.018 1.731 -2.553 241 3HB ALA 31 3HB ALA 31 6.521 2.397 -3.192 242 H SER 32 H SER 32 7.796 1.957 1.080 243 HA SER 32 HA SER 32 9.554 3.275 1.972 244 1HB SER 32 2HB SER 32 11.446 2.715 0.827 245 2HB SER 32 1HB SER 32 10.351 1.823 -0.224 246 HG SER 32 HG SER 32 10.336 3.512 -1.635 247 HA PRO 33 HA PRO 33 9.187 7.519 0.890 248 1HB PRO 33 2HB PRO 33 11.742 8.498 0.880 249 2HB PRO 33 1HB PRO 33 10.899 8.018 2.366 250 1HG PRO 33 2HG PRO 33 12.970 6.564 0.812 251 2HG PRO 33 1HG PRO 33 12.713 6.638 2.562 252 1HD PRO 33 2HD PRO 33 11.966 4.524 0.972 253 2HD PRO 33 1HD PRO 33 11.225 4.911 2.540 254 H PHE 34 H PHE 34 8.644 6.488 -1.402 255 HA PHE 34 HA PHE 34 10.660 7.169 -3.472 256 1HB PHE 34 2HB PHE 34 8.526 5.295 -3.083 257 2HB PHE 34 1HB PHE 34 8.174 6.246 -4.526 258 HD1 PHE 34 1HD PHE 34 8.999 5.404 -6.520 259 HD2 PHE 34 2HD PHE 34 11.189 4.691 -2.896 260 HE1 PHE 34 1HE PHE 34 10.687 4.112 -7.796 261 HE2 PHE 34 2HE PHE 34 12.879 3.397 -4.171 262 HZ PHE 34 HZ PHE 34 12.627 3.107 -6.622 Start of MODEL 7 1 1H GLU 1 1HT GLU 1 -11.419 6.222 -2.660 2 2H GLU 1 2HT GLU 1 -12.343 6.041 -1.247 3 3H GLU 1 3HT GLU 1 -11.452 4.729 -1.857 4 HA GLU 1 HA GLU 1 -9.959 7.162 -1.195 5 1HB GLU 1 2HB GLU 1 -9.984 6.445 1.196 6 2HB GLU 1 1HB GLU 1 -11.580 6.936 0.629 7 1HG GLU 1 2HG GLU 1 -11.001 4.087 0.188 8 2HG GLU 1 1HG GLU 1 -11.024 4.549 1.891 9 H CYS 2 H CYS 2 -8.166 5.974 0.466 10 HA CYS 2 HA CYS 2 -6.986 3.830 -1.250 11 1HB CYS 2 2HB CYS 2 -4.893 4.635 -0.444 12 2HB CYS 2 1HB CYS 2 -5.863 6.086 -0.701 13 H GLY 3 H GLY 3 -5.202 2.828 0.649 14 1HA GLY 3 2HA GLY 3 -6.884 1.811 2.876 15 2HA GLY 3 1HA GLY 3 -6.148 0.636 1.786 16 H LYS 4 H LYS 4 -5.688 1.392 4.726 17 HA LYS 4 HA LYS 4 -2.945 2.406 4.834 18 1HB LYS 4 2HB LYS 4 -4.602 2.772 6.618 19 2HB LYS 4 1HB LYS 4 -4.792 1.032 6.822 20 1HG LYS 4 2HG LYS 4 -3.294 1.523 8.534 21 2HG LYS 4 1HG LYS 4 -2.187 1.093 7.232 22 1HD LYS 4 2HD LYS 4 -1.244 3.124 7.429 23 2HD LYS 4 1HD LYS 4 -2.768 3.840 6.897 24 1HE LYS 4 2HE LYS 4 -2.318 3.026 9.778 25 2HE LYS 4 1HE LYS 4 -1.896 4.642 9.178 26 1HZ LYS 4 1HZ LYS 4 -4.514 3.507 8.485 27 2HZ LYS 4 2HZ LYS 4 -4.062 5.134 8.680 28 3HZ LYS 4 3HZ LYS 4 -4.301 4.147 10.042 29 H PHE 5 H PHE 5 -1.128 1.005 5.656 30 HA PHE 5 HA PHE 5 -0.514 -1.246 4.233 31 1HB PHE 5 2HB PHE 5 0.868 -0.032 5.962 32 2HB PHE 5 1HB PHE 5 0.005 -0.938 7.203 33 HD1 PHE 5 1HD PHE 5 0.911 -2.971 7.923 34 HD2 PHE 5 2HD PHE 5 1.872 -1.533 3.989 35 HE1 PHE 5 1HE PHE 5 2.477 -4.867 7.608 36 HE2 PHE 5 2HE PHE 5 3.435 -3.437 3.684 37 HZ PHE 5 HZ PHE 5 3.730 -5.100 5.486 38 H MET 6 H MET 6 -1.025 -3.418 4.274 39 HA MET 6 HA MET 6 -2.053 -5.427 4.937 40 1HB MET 6 2HB MET 6 -3.090 -3.865 7.314 41 2HB MET 6 1HB MET 6 -2.969 -5.610 7.160 42 1HG MET 6 2HG MET 6 -0.400 -4.430 6.615 43 2HG MET 6 1HG MET 6 -1.001 -3.853 8.170 44 1HE MET 6 1HE MET 6 1.669 -6.271 8.585 45 2HE MET 6 2HE MET 6 0.760 -5.939 10.056 46 3HE MET 6 3HE MET 6 0.986 -4.663 8.862 47 H TRP 7 H TRP 7 -3.516 -2.602 4.020 48 HA TRP 7 HA TRP 7 -6.306 -3.491 4.297 49 1HB TRP 7 2HB TRP 7 -4.831 -1.145 3.149 50 2HB TRP 7 1HB TRP 7 -6.481 -1.434 2.636 51 HD1 TRP 7 HD TRP 7 -4.829 -1.720 6.147 52 HE1 TRP 7 1HE TRP 7 -6.302 -0.369 7.791 53 HE3 TRP 7 3HE TRP 7 -8.299 0.094 2.918 54 HZ2 TRP 7 2HZ TRP 7 -8.623 1.247 7.738 55 HZ3 TRP 7 3HZ TRP 7 -10.153 1.548 3.728 56 HH2 TRP 7 HH TRP 7 -10.317 2.127 6.138 57 H LYS 8 H LYS 8 -7.313 -4.802 2.847 58 HA LYS 8 HA LYS 8 -6.159 -6.195 0.740 59 1HB LYS 8 2HB LYS 8 -8.550 -6.412 -0.045 60 2HB LYS 8 1HB LYS 8 -8.342 -6.706 1.681 61 1HG LYS 8 2HG LYS 8 -8.791 -4.086 1.825 62 2HG LYS 8 1HG LYS 8 -9.617 -4.382 0.295 63 1HD LYS 8 2HD LYS 8 -11.332 -4.751 1.838 64 2HD LYS 8 1HD LYS 8 -10.714 -6.384 1.590 65 1HE LYS 8 2HE LYS 8 -10.905 -6.079 3.979 66 2HE LYS 8 1HE LYS 8 -9.175 -5.952 3.603 67 1HZ LYS 8 1HZ LYS 8 -10.019 -3.448 3.150 68 2HZ LYS 8 2HZ LYS 8 -9.345 -3.970 4.620 69 3HZ LYS 8 3HZ LYS 8 -11.032 -3.890 4.437 70 H CYS 9 H CYS 9 -5.777 -5.770 -1.448 71 HA CYS 9 HA CYS 9 -6.575 -3.080 -2.494 72 1HB CYS 9 2HB CYS 9 -4.220 -3.104 -3.501 73 2HB CYS 9 1HB CYS 9 -4.312 -2.891 -1.754 74 H LYS 10 H LYS 10 -6.075 -3.035 -4.959 75 HA LYS 10 HA LYS 10 -7.013 -5.613 -6.156 76 1HB LYS 10 2HB LYS 10 -8.108 -4.245 -7.764 77 2HB LYS 10 1HB LYS 10 -8.334 -3.394 -6.238 78 1HG LYS 10 2HG LYS 10 -7.546 -1.612 -7.430 79 2HG LYS 10 1HG LYS 10 -5.977 -2.311 -7.042 80 1HD LYS 10 2HD LYS 10 -5.605 -2.475 -9.260 81 2HD LYS 10 1HD LYS 10 -6.847 -3.729 -9.297 82 1HE LYS 10 2HE LYS 10 -8.159 -1.177 -9.217 83 2HE LYS 10 1HE LYS 10 -6.955 -1.159 -10.522 84 1HZ LYS 10 1HZ LYS 10 -7.788 -3.327 -11.246 85 2HZ LYS 10 2HZ LYS 10 -9.011 -2.148 -11.304 86 3HZ LYS 10 3HZ LYS 10 -8.980 -3.283 -10.039 87 H ASN 11 H ASN 11 -4.559 -3.130 -6.246 88 HA ASN 11 HA ASN 11 -2.564 -4.729 -7.476 89 1HB ASN 11 2HB ASN 11 -4.578 -4.042 -9.250 90 2HB ASN 11 1HB ASN 11 -3.350 -2.816 -9.565 91 1HD2 ASN 11 1HD2 ASN 11 -2.427 -3.632 -11.500 92 2HD2 ASN 11 2HD2 ASN 11 -1.709 -5.164 -11.623 93 H SER 12 H SER 12 -3.910 -1.518 -6.937 94 HA SER 12 HA SER 12 -1.677 -0.407 -5.679 95 1HB SER 12 2HB SER 12 -0.295 -0.659 -7.541 96 2HB SER 12 1HB SER 12 -1.616 -0.400 -8.676 97 HG SER 12 HG SER 12 -0.967 1.696 -6.959 98 H ASN 13 H ASN 13 -4.464 0.069 -7.735 99 HA ASN 13 HA ASN 13 -4.675 2.949 -7.266 100 1HB ASN 13 2HB ASN 13 -6.413 0.777 -8.446 101 2HB ASN 13 1HB ASN 13 -6.973 2.444 -8.319 102 1HD2 ASN 13 1HD2 ASN 13 -6.361 0.929 -10.820 103 2HD2 ASN 13 2HD2 ASN 13 -5.145 1.808 -11.612 104 H ASP 14 H ASP 14 -4.947 0.535 -5.105 105 HA ASP 14 HA ASP 14 -7.341 1.736 -3.748 106 1HB ASP 14 2HB ASP 14 -6.257 -1.020 -4.097 107 2HB ASP 14 1HB ASP 14 -7.032 -0.657 -2.554 108 H CYS 15 H CYS 15 -3.941 1.248 -3.573 109 HA CYS 15 HA CYS 15 -3.772 1.389 -0.641 110 1HB CYS 15 2HB CYS 15 -1.722 1.509 -2.876 111 2HB CYS 15 1HB CYS 15 -1.354 1.287 -1.165 112 H CYS 16 H CYS 16 -2.462 3.147 0.384 113 HA CYS 16 HA CYS 16 -3.262 5.792 -0.663 114 1HB CYS 16 2HB CYS 16 -2.746 4.572 1.850 115 2HB CYS 16 1HB CYS 16 -1.599 5.892 1.651 116 H LYS 17 H LYS 17 -1.490 7.565 -0.471 117 HA LYS 17 HA LYS 17 0.531 7.221 -2.356 118 1HB LYS 17 2HB LYS 17 -0.319 9.343 -1.332 119 2HB LYS 17 1HB LYS 17 0.594 8.960 0.128 120 1HG LYS 17 2HG LYS 17 2.547 9.628 -0.797 121 2HG LYS 17 1HG LYS 17 2.216 8.768 -2.302 122 1HD LYS 17 2HD LYS 17 0.377 10.836 -2.357 123 2HD LYS 17 1HD LYS 17 1.803 11.593 -1.646 124 1HE LYS 17 2HE LYS 17 2.160 11.856 -3.972 125 2HE LYS 17 1HE LYS 17 3.094 10.396 -3.596 126 1HZ LYS 17 1HZ LYS 17 1.755 9.728 -5.357 127 2HZ LYS 17 2HZ LYS 17 0.409 10.605 -4.807 128 3HZ LYS 17 3HZ LYS 17 0.889 9.188 -4.002 129 H ASP 18 H ASP 18 2.835 6.816 -2.133 130 HA ASP 18 HA ASP 18 4.697 5.636 -1.282 131 1HB ASP 18 2HB ASP 18 3.345 6.653 1.239 132 2HB ASP 18 1HB ASP 18 4.965 5.957 1.210 133 H LEU 19 H LEU 19 1.940 4.337 -1.586 134 HA LEU 19 HA LEU 19 2.626 1.837 -0.134 135 1HB LEU 19 2HB LEU 19 0.997 3.486 1.096 136 2HB LEU 19 1HB LEU 19 -0.184 2.919 -0.084 137 HG LEU 19 HG LEU 19 0.392 0.559 0.600 138 1HD1 LEU 19 1HD1 LEU 19 1.737 0.135 2.492 139 2HD1 LEU 19 2HD1 LEU 19 1.624 1.801 3.057 140 3HD1 LEU 19 3HD1 LEU 19 2.619 1.412 1.658 141 1HD2 LEU 19 1HD2 LEU 19 -0.949 0.640 2.642 142 2HD2 LEU 19 2HD2 LEU 19 -1.588 1.803 1.480 143 3HD2 LEU 19 3HD2 LEU 19 -0.602 2.360 2.832 144 H VAL 20 H VAL 20 2.146 0.039 -1.389 145 HA VAL 20 HA VAL 20 0.291 0.377 -3.706 146 HB VAL 20 HB VAL 20 2.032 -0.641 -5.147 147 1HG1 VAL 20 1HG1 VAL 20 3.020 1.769 -3.590 148 2HG1 VAL 20 2HG1 VAL 20 1.882 1.826 -4.938 149 3HG1 VAL 20 3HG1 VAL 20 3.543 1.300 -5.208 150 1HG2 VAL 20 1HG2 VAL 20 4.295 -0.965 -4.283 151 2HG2 VAL 20 2HG2 VAL 20 3.162 -1.894 -3.302 152 3HG2 VAL 20 3HG2 VAL 20 3.802 -0.366 -2.698 153 H CYS 21 H CYS 21 -0.759 -1.550 -4.293 154 HA CYS 21 HA CYS 21 -1.209 -3.581 -2.397 155 1HB CYS 21 2HB CYS 21 -2.513 -2.983 -4.480 156 2HB CYS 21 1HB CYS 21 -1.281 -3.824 -5.422 157 H SER 22 H SER 22 -0.228 -5.638 -2.034 158 HA SER 22 HA SER 22 2.131 -6.325 -3.737 159 1HB SER 22 2HB SER 22 2.201 -5.150 -1.174 160 2HB SER 22 1HB SER 22 2.632 -6.840 -0.939 161 HG SER 22 HG SER 22 4.065 -6.454 -2.836 162 H SER 23 H SER 23 1.627 -8.340 -4.471 163 HA SER 23 HA SER 23 -0.200 -10.145 -3.236 164 1HB SER 23 2HB SER 23 0.742 -9.885 -5.671 165 2HB SER 23 1HB SER 23 2.017 -10.958 -5.100 166 HG SER 23 HG SER 23 -0.599 -11.483 -5.700 167 H ARG 24 H ARG 24 3.200 -9.535 -2.779 168 HA ARG 24 HA ARG 24 3.814 -12.108 -1.526 169 1HB ARG 24 2HB ARG 24 5.286 -10.264 -2.753 170 2HB ARG 24 1HB ARG 24 5.399 -9.592 -1.127 171 1HG ARG 24 2HG ARG 24 5.912 -12.170 -0.551 172 2HG ARG 24 1HG ARG 24 6.515 -12.131 -2.208 173 1HD ARG 24 2HD ARG 24 8.414 -11.176 -1.419 174 2HD ARG 24 1HD ARG 24 7.452 -9.756 -0.963 175 HE ARG 24 HE ARG 24 7.261 -10.633 1.263 176 1HH1 ARG 24 1HH1 ARG 24 9.821 -11.949 -0.412 177 2HH1 ARG 24 2HH1 ARG 24 9.996 -13.354 0.586 178 1HH2 ARG 24 1HH2 ARG 24 7.052 -12.810 2.333 179 2HH2 ARG 24 2HH2 ARG 24 8.429 -13.842 2.137 180 H TRP 25 H TRP 25 3.023 -8.826 -0.463 181 HA TRP 25 HA TRP 25 3.152 -9.644 2.386 182 1HB TRP 25 2HB TRP 25 2.681 -7.034 0.916 183 2HB TRP 25 1HB TRP 25 2.675 -7.173 2.675 184 HD1 TRP 25 HD TRP 25 4.957 -6.542 -0.116 185 HE1 TRP 25 1HE TRP 25 7.415 -6.803 0.621 186 HE3 TRP 25 3HE TRP 25 4.304 -8.885 4.379 187 HZ2 TRP 25 2HZ TRP 25 8.888 -7.848 2.778 188 HZ3 TRP 25 3HZ TRP 25 6.271 -9.509 5.756 189 HH2 TRP 25 HH TRP 25 8.566 -8.994 4.963 190 H LYS 26 H LYS 26 0.904 -9.520 -0.156 191 HA LYS 26 HA LYS 26 -1.391 -10.044 -0.187 192 1HB LYS 26 2HB LYS 26 -1.964 -11.450 1.516 193 2HB LYS 26 1HB LYS 26 -0.296 -11.226 2.030 194 1HG LYS 26 2HG LYS 26 -1.497 -9.047 3.172 195 2HG LYS 26 1HG LYS 26 -2.792 -10.233 3.258 196 1HD LYS 26 2HD LYS 26 -0.023 -10.369 4.451 197 2HD LYS 26 1HD LYS 26 -1.579 -10.525 5.266 198 1HE LYS 26 2HE LYS 26 -1.707 -12.577 3.425 199 2HE LYS 26 1HE LYS 26 0.004 -12.591 3.893 200 1HZ LYS 26 1HZ LYS 26 -2.337 -12.604 5.725 201 2HZ LYS 26 2HZ LYS 26 -0.723 -12.437 6.231 202 3HZ LYS 26 3HZ LYS 26 -1.237 -13.872 5.483 203 H TRP 27 H TRP 27 -0.390 -7.190 0.270 204 HA TRP 27 HA TRP 27 -2.925 -5.934 0.586 205 1HB TRP 27 2HB TRP 27 -2.557 -5.000 2.896 206 2HB TRP 27 1HB TRP 27 -2.801 -6.740 2.879 207 HD1 TRP 27 HD TRP 27 0.425 -4.702 2.244 208 HE1 TRP 27 1HE TRP 27 2.255 -5.554 3.829 209 HE3 TRP 27 3HE TRP 27 -2.248 -8.112 4.937 210 HZ2 TRP 27 2HZ TRP 27 2.559 -7.382 5.948 211 HZ3 TRP 27 3HZ TRP 27 -1.153 -9.384 6.762 212 HH2 TRP 27 HH TRP 27 1.248 -9.026 7.274 213 H CYS 28 H CYS 28 -2.529 -3.460 1.250 214 HA CYS 28 HA CYS 28 -0.666 -2.330 -0.614 215 1HB CYS 28 2HB CYS 28 -2.154 -1.276 1.816 216 2HB CYS 28 1HB CYS 28 -1.266 -0.227 0.708 217 H VAL 29 H VAL 29 1.559 -2.158 -0.373 218 HA VAL 29 HA VAL 29 2.654 -2.446 2.394 219 HB VAL 29 HB VAL 29 4.697 -3.211 1.146 220 1HG1 VAL 29 1HG1 VAL 29 3.168 -4.884 1.965 221 2HG1 VAL 29 2HG1 VAL 29 3.611 -5.342 0.321 222 3HG1 VAL 29 3HG1 VAL 29 2.048 -4.590 0.635 223 1HG2 VAL 29 1HG2 VAL 29 4.791 -3.226 -1.151 224 2HG2 VAL 29 2HG2 VAL 29 3.656 -1.888 -0.967 225 3HG2 VAL 29 3HG2 VAL 29 3.059 -3.507 -1.323 226 H LEU 30 H LEU 30 4.419 -1.128 3.036 227 HA LEU 30 HA LEU 30 4.306 1.629 2.389 228 1HB LEU 30 2HB LEU 30 6.560 -0.056 3.525 229 2HB LEU 30 1HB LEU 30 6.415 1.694 3.690 230 HG LEU 30 HG LEU 30 4.226 -0.175 4.607 231 1HD1 LEU 30 1HD1 LEU 30 6.837 0.476 5.872 232 2HD1 LEU 30 2HD1 LEU 30 5.811 -0.944 6.074 233 3HD1 LEU 30 3HD1 LEU 30 5.420 0.555 6.917 234 1HD2 LEU 30 1HD2 LEU 30 4.612 2.669 4.469 235 2HD2 LEU 30 2HD2 LEU 30 4.523 2.193 6.164 236 3HD2 LEU 30 3HD2 LEU 30 3.207 1.783 5.064 237 H ALA 31 H ALA 31 4.632 2.236 0.235 238 HA ALA 31 HA ALA 31 6.913 1.071 -1.260 239 1HB ALA 31 1HB ALA 31 5.848 2.386 -3.130 240 2HB ALA 31 2HB ALA 31 4.648 2.961 -1.973 241 3HB ALA 31 3HB ALA 31 4.743 1.245 -2.363 242 H SER 32 H SER 32 7.658 2.653 0.937 243 HA SER 32 HA SER 32 9.487 4.513 -0.259 244 1HB SER 32 2HB SER 32 7.070 5.531 -0.461 245 2HB SER 32 1HB SER 32 7.287 5.909 1.244 246 HG SER 32 HG SER 32 9.191 7.021 0.677 247 HA PRO 33 HA PRO 33 10.912 3.636 3.885 248 1HB PRO 33 2HB PRO 33 13.367 4.812 3.599 249 2HB PRO 33 1HB PRO 33 12.982 3.209 2.940 250 1HG PRO 33 2HG PRO 33 13.105 5.843 1.561 251 2HG PRO 33 1HG PRO 33 13.621 4.247 0.996 252 1HD PRO 33 2HD PRO 33 11.290 5.437 0.227 253 2HD PRO 33 1HD PRO 33 11.521 3.676 0.286 254 H PHE 34 H PHE 34 9.546 5.078 5.080 255 HA PHE 34 HA PHE 34 10.374 7.951 5.159 256 1HB PHE 34 2HB PHE 34 7.960 6.903 4.722 257 2HB PHE 34 1HB PHE 34 7.920 6.857 6.485 258 HD1 PHE 34 1HD PHE 34 6.275 8.637 4.466 259 HD2 PHE 34 2HD PHE 34 9.782 9.303 6.855 260 HE1 PHE 34 1HE PHE 34 5.777 11.066 4.520 261 HE2 PHE 34 2HE PHE 34 9.283 11.732 6.909 262 HZ PHE 34 HZ PHE 34 7.282 12.613 5.740 Start of MODEL 8 1 1H GLU 1 1HT GLU 1 -12.384 5.335 -2.205 2 2H GLU 1 2HT GLU 1 -11.926 3.990 -1.274 3 3H GLU 1 3HT GLU 1 -11.334 4.174 -2.856 4 HA GLU 1 HA GLU 1 -10.209 6.271 -2.108 5 1HB GLU 1 2HB GLU 1 -10.701 5.170 0.653 6 2HB GLU 1 1HB GLU 1 -10.268 6.812 0.181 7 1HG GLU 1 2HG GLU 1 -12.938 5.476 -0.349 8 2HG GLU 1 1HG GLU 1 -12.627 6.685 0.896 9 H CYS 2 H CYS 2 -8.057 6.012 -0.755 10 HA CYS 2 HA CYS 2 -6.723 3.604 -1.661 11 1HB CYS 2 2HB CYS 2 -4.801 4.694 -0.820 12 2HB CYS 2 1HB CYS 2 -5.867 6.028 -1.252 13 H GLY 3 H GLY 3 -5.114 2.942 0.527 14 1HA GLY 3 2HA GLY 3 -6.896 2.223 2.759 15 2HA GLY 3 1HA GLY 3 -6.270 0.867 1.820 16 H LYS 4 H LYS 4 -5.735 1.632 4.644 17 HA LYS 4 HA LYS 4 -2.981 2.604 4.750 18 1HB LYS 4 2HB LYS 4 -5.167 2.360 6.453 19 2HB LYS 4 1HB LYS 4 -4.042 1.145 7.062 20 1HG LYS 4 2HG LYS 4 -2.631 3.583 6.396 21 2HG LYS 4 1HG LYS 4 -3.942 3.919 7.527 22 1HD LYS 4 2HD LYS 4 -2.322 1.498 8.097 23 2HD LYS 4 1HD LYS 4 -1.506 3.047 8.318 24 1HE LYS 4 2HE LYS 4 -4.246 2.489 9.490 25 2HE LYS 4 1HE LYS 4 -2.743 2.178 10.380 26 1HZ LYS 4 1HZ LYS 4 -2.211 4.581 9.435 27 2HZ LYS 4 2HZ LYS 4 -3.004 4.353 10.920 28 3HZ LYS 4 3HZ LYS 4 -3.899 4.719 9.523 29 H PHE 5 H PHE 5 -1.302 1.139 5.892 30 HA PHE 5 HA PHE 5 -0.578 -1.055 4.386 31 1HB PHE 5 2HB PHE 5 0.713 0.108 6.204 32 2HB PHE 5 1HB PHE 5 -0.230 -0.802 7.385 33 HD1 PHE 5 1HD PHE 5 0.954 -2.602 8.283 34 HD2 PHE 5 2HD PHE 5 1.459 -1.642 4.124 35 HE1 PHE 5 1HE PHE 5 2.512 -4.508 8.028 36 HE2 PHE 5 2HE PHE 5 3.017 -3.555 3.879 37 HZ PHE 5 HZ PHE 5 3.544 -4.980 5.826 38 H MET 6 H MET 6 -0.933 -3.273 4.471 39 HA MET 6 HA MET 6 -1.982 -5.299 4.978 40 1HB MET 6 2HB MET 6 -3.071 -3.830 7.392 41 2HB MET 6 1HB MET 6 -2.866 -5.569 7.208 42 1HG MET 6 2HG MET 6 -0.340 -4.826 6.710 43 2HG MET 6 1HG MET 6 -0.815 -3.469 7.730 44 1HE MET 6 1HE MET 6 1.533 -5.533 9.230 45 2HE MET 6 2HE MET 6 1.083 -5.940 7.576 46 3HE MET 6 3HE MET 6 0.925 -7.148 8.849 47 H TRP 7 H TRP 7 -3.422 -2.751 3.762 48 HA TRP 7 HA TRP 7 -6.244 -3.539 4.187 49 1HB TRP 7 2HB TRP 7 -4.721 -1.292 2.927 50 2HB TRP 7 1HB TRP 7 -6.367 -1.581 2.394 51 HD1 TRP 7 HD TRP 7 -4.872 -1.857 5.946 52 HE1 TRP 7 1HE TRP 7 -6.298 -0.353 7.507 53 HE3 TRP 7 3HE TRP 7 -8.047 0.172 2.543 54 HZ2 TRP 7 2HZ TRP 7 -8.473 1.452 7.322 55 HZ3 TRP 7 3HZ TRP 7 -9.801 1.791 3.243 56 HH2 TRP 7 HH TRP 7 -10.018 2.437 5.631 57 H LYS 8 H LYS 8 -7.270 -4.942 2.805 58 HA LYS 8 HA LYS 8 -6.118 -6.412 0.742 59 1HB LYS 8 2HB LYS 8 -8.354 -6.762 1.788 60 2HB LYS 8 1HB LYS 8 -8.961 -5.353 0.917 61 1HG LYS 8 2HG LYS 8 -9.066 -6.462 -1.074 62 2HG LYS 8 1HG LYS 8 -7.600 -7.387 -0.750 63 1HD LYS 8 2HD LYS 8 -8.741 -9.097 0.249 64 2HD LYS 8 1HD LYS 8 -9.925 -8.014 0.981 65 1HE LYS 8 2HE LYS 8 -10.610 -7.677 -1.603 66 2HE LYS 8 1HE LYS 8 -9.975 -9.331 -1.693 67 1HZ LYS 8 1HZ LYS 8 -11.359 -9.967 0.149 68 2HZ LYS 8 2HZ LYS 8 -12.340 -9.261 -1.045 69 3HZ LYS 8 3HZ LYS 8 -11.918 -8.377 0.343 70 H CYS 9 H CYS 9 -5.449 -5.897 -1.327 71 HA CYS 9 HA CYS 9 -6.292 -3.229 -2.417 72 1HB CYS 9 2HB CYS 9 -4.001 -3.282 -3.461 73 2HB CYS 9 1HB CYS 9 -3.974 -3.274 -1.698 74 H LYS 10 H LYS 10 -5.912 -3.179 -4.887 75 HA LYS 10 HA LYS 10 -6.914 -5.739 -6.088 76 1HB LYS 10 2HB LYS 10 -8.186 -4.356 -7.567 77 2HB LYS 10 1HB LYS 10 -8.373 -3.630 -5.972 78 1HG LYS 10 2HG LYS 10 -7.747 -1.709 -7.014 79 2HG LYS 10 1HG LYS 10 -6.118 -2.364 -6.883 80 1HD LYS 10 2HD LYS 10 -6.331 -1.817 -9.174 81 2HD LYS 10 1HD LYS 10 -6.624 -3.556 -9.121 82 1HE LYS 10 2HE LYS 10 -8.373 -2.595 -10.491 83 2HE LYS 10 1HE LYS 10 -9.119 -2.991 -8.929 84 1HZ LYS 10 1HZ LYS 10 -9.437 -0.627 -9.857 85 2HZ LYS 10 2HZ LYS 10 -7.832 -0.371 -9.361 86 3HZ LYS 10 3HZ LYS 10 -9.018 -0.802 -8.223 87 H ASN 11 H ASN 11 -4.600 -3.145 -6.234 88 HA ASN 11 HA ASN 11 -2.680 -4.586 -7.778 89 1HB ASN 11 2HB ASN 11 -4.363 -4.357 -9.544 90 2HB ASN 11 1HB ASN 11 -4.446 -2.617 -9.269 91 1HD2 ASN 11 1HD2 ASN 11 -3.393 -1.605 -10.982 92 2HD2 ASN 11 2HD2 ASN 11 -1.906 -2.095 -11.638 93 H SER 12 H SER 12 -4.029 -1.427 -6.927 94 HA SER 12 HA SER 12 -1.755 -0.410 -5.646 95 1HB SER 12 2HB SER 12 -1.495 -0.618 -8.491 96 2HB SER 12 1HB SER 12 -1.519 1.090 -8.061 97 HG SER 12 HG SER 12 0.027 0.308 -6.323 98 H ASN 13 H ASN 13 -4.577 0.227 -7.626 99 HA ASN 13 HA ASN 13 -4.848 3.037 -6.974 100 1HB ASN 13 2HB ASN 13 -6.283 0.884 -8.369 101 2HB ASN 13 1HB ASN 13 -7.355 2.068 -7.620 102 1HD2 ASN 13 1HD2 ASN 13 -4.173 2.292 -9.328 103 2HD2 ASN 13 2HD2 ASN 13 -4.663 3.531 -10.378 104 H ASP 14 H ASP 14 -5.119 0.322 -5.026 105 HA ASP 14 HA ASP 14 -7.328 1.449 -3.364 106 1HB ASP 14 2HB ASP 14 -6.127 -1.187 -3.939 107 2HB ASP 14 1HB ASP 14 -6.559 -0.940 -2.248 108 H CYS 15 H CYS 15 -3.885 1.162 -3.475 109 HA CYS 15 HA CYS 15 -3.509 1.411 -0.568 110 1HB CYS 15 2HB CYS 15 -1.573 1.557 -2.896 111 2HB CYS 15 1HB CYS 15 -1.166 1.243 -1.209 112 H CYS 16 H CYS 16 -2.282 3.242 0.334 113 HA CYS 16 HA CYS 16 -3.066 5.816 -0.941 114 1HB CYS 16 2HB CYS 16 -2.933 4.767 1.687 115 2HB CYS 16 1HB CYS 16 -1.762 6.078 1.585 116 H LYS 17 H LYS 17 -1.381 7.639 -0.553 117 HA LYS 17 HA LYS 17 0.834 7.421 -2.160 118 1HB LYS 17 2HB LYS 17 -0.142 9.430 -0.939 119 2HB LYS 17 1HB LYS 17 0.789 8.922 0.470 120 1HG LYS 17 2HG LYS 17 2.006 10.622 -0.867 121 2HG LYS 17 1HG LYS 17 2.871 9.086 -0.823 122 1HD LYS 17 2HD LYS 17 2.417 8.604 -3.039 123 2HD LYS 17 1HD LYS 17 0.921 9.537 -3.044 124 1HE LYS 17 2HE LYS 17 2.026 11.564 -3.390 125 2HE LYS 17 1HE LYS 17 3.541 10.971 -2.680 126 1HZ LYS 17 1HZ LYS 17 3.599 11.055 -5.137 127 2HZ LYS 17 2HZ LYS 17 2.335 9.921 -5.184 128 3HZ LYS 17 3HZ LYS 17 3.842 9.494 -4.525 129 H ASP 18 H ASP 18 2.996 6.738 -1.910 130 HA ASP 18 HA ASP 18 4.780 5.481 -0.999 131 1HB ASP 18 2HB ASP 18 3.454 6.953 1.190 132 2HB ASP 18 1HB ASP 18 4.417 5.573 1.717 133 H LEU 19 H LEU 19 1.951 4.316 -1.440 134 HA LEU 19 HA LEU 19 2.503 1.743 -0.067 135 1HB LEU 19 2HB LEU 19 0.875 3.485 1.130 136 2HB LEU 19 1HB LEU 19 -0.290 2.801 -0.005 137 HG LEU 19 HG LEU 19 0.340 0.515 0.799 138 1HD1 LEU 19 1HD1 LEU 19 2.618 1.411 1.691 139 2HD1 LEU 19 2HD1 LEU 19 1.778 0.197 2.651 140 3HD1 LEU 19 3HD1 LEU 19 1.703 1.897 3.115 141 1HD2 LEU 19 1HD2 LEU 19 -1.394 2.312 1.901 142 2HD2 LEU 19 2HD2 LEU 19 -0.399 1.914 3.302 143 3HD2 LEU 19 3HD2 LEU 19 -1.249 0.636 2.433 144 H VAL 20 H VAL 20 1.862 -0.026 -1.286 145 HA VAL 20 HA VAL 20 0.065 0.392 -3.618 146 HB VAL 20 HB VAL 20 1.858 -0.742 -5.030 147 1HG1 VAL 20 1HG1 VAL 20 2.891 1.315 -5.554 148 2HG1 VAL 20 2HG1 VAL 20 2.838 1.866 -3.880 149 3HG1 VAL 20 3HG1 VAL 20 1.356 1.796 -4.831 150 1HG2 VAL 20 1HG2 VAL 20 3.139 -0.751 -2.422 151 2HG2 VAL 20 2HG2 VAL 20 4.139 0.075 -3.615 152 3HG2 VAL 20 3HG2 VAL 20 3.619 -1.585 -3.899 153 H CYS 21 H CYS 21 -0.728 -1.642 -4.487 154 HA CYS 21 HA CYS 21 -1.293 -3.669 -2.563 155 1HB CYS 21 2HB CYS 21 -2.574 -3.103 -4.639 156 2HB CYS 21 1HB CYS 21 -1.273 -3.808 -5.598 157 H SER 22 H SER 22 -0.230 -5.628 -2.089 158 HA SER 22 HA SER 22 2.146 -6.322 -3.772 159 1HB SER 22 2HB SER 22 2.124 -5.154 -1.184 160 2HB SER 22 1HB SER 22 2.641 -6.826 -0.984 161 HG SER 22 HG SER 22 3.951 -6.151 -3.024 162 H SER 23 H SER 23 1.479 -8.296 -4.558 163 HA SER 23 HA SER 23 -0.268 -10.122 -3.270 164 1HB SER 23 2HB SER 23 -0.073 -10.979 -5.353 165 2HB SER 23 1HB SER 23 1.232 -9.843 -5.676 166 HG SER 23 HG SER 23 1.972 -11.956 -5.929 167 H ARG 24 H ARG 24 3.095 -9.436 -2.836 168 HA ARG 24 HA ARG 24 3.821 -11.994 -1.613 169 1HB ARG 24 2HB ARG 24 5.293 -10.281 -2.844 170 2HB ARG 24 1HB ARG 24 5.196 -9.308 -1.377 171 1HG ARG 24 2HG ARG 24 6.181 -12.173 -1.477 172 2HG ARG 24 1HG ARG 24 7.227 -10.754 -1.428 173 1HD ARG 24 2HD ARG 24 5.615 -10.204 0.689 174 2HD ARG 24 1HD ARG 24 5.620 -11.978 0.749 175 HE ARG 24 HE ARG 24 8.158 -10.394 0.590 176 1HH1 ARG 24 1HH1 ARG 24 6.857 -13.466 0.898 177 2HH1 ARG 24 2HH1 ARG 24 7.804 -13.924 2.274 178 1HH2 ARG 24 1HH2 ARG 24 9.107 -10.750 2.770 179 2HH2 ARG 24 2HH2 ARG 24 9.078 -12.387 3.332 180 H TRP 25 H TRP 25 3.255 -8.682 -0.444 181 HA TRP 25 HA TRP 25 3.289 -9.510 2.372 182 1HB TRP 25 2HB TRP 25 2.555 -6.945 0.935 183 2HB TRP 25 1HB TRP 25 2.751 -7.091 2.681 184 HD1 TRP 25 HD TRP 25 4.665 -6.382 -0.394 185 HE1 TRP 25 1HE TRP 25 7.196 -6.383 0.090 186 HE3 TRP 25 3HE TRP 25 4.693 -8.494 4.263 187 HZ2 TRP 25 2HZ TRP 25 8.972 -7.157 2.128 188 HZ3 TRP 25 3HZ TRP 25 6.840 -8.852 5.452 189 HH2 TRP 25 HH TRP 25 8.984 -8.187 4.393 190 H LYS 26 H LYS 26 1.001 -9.437 -0.164 191 HA LYS 26 HA LYS 26 -1.261 -10.089 -0.178 192 1HB LYS 26 2HB LYS 26 -1.787 -11.492 1.540 193 2HB LYS 26 1HB LYS 26 -0.133 -11.199 2.064 194 1HG LYS 26 2HG LYS 26 -1.449 -9.049 3.164 195 2HG LYS 26 1HG LYS 26 -2.676 -10.305 3.266 196 1HD LYS 26 2HD LYS 26 0.059 -10.212 4.527 197 2HD LYS 26 1HD LYS 26 -1.498 -10.549 5.278 198 1HE LYS 26 2HE LYS 26 -1.417 -12.610 3.522 199 2HE LYS 26 1HE LYS 26 0.320 -12.396 3.820 200 1HZ LYS 26 1HZ LYS 26 -0.576 -12.092 6.272 201 2HZ LYS 26 2HZ LYS 26 -0.194 -13.624 5.646 202 3HZ LYS 26 3HZ LYS 26 -1.810 -13.101 5.695 203 H TRP 27 H TRP 27 -0.356 -7.198 0.220 204 HA TRP 27 HA TRP 27 -2.916 -6.003 0.491 205 1HB TRP 27 2HB TRP 27 -2.607 -5.026 2.801 206 2HB TRP 27 1HB TRP 27 -2.844 -6.767 2.793 207 HD1 TRP 27 HD TRP 27 0.407 -4.762 2.176 208 HE1 TRP 27 1HE TRP 27 2.196 -5.576 3.832 209 HE3 TRP 27 3HE TRP 27 -2.355 -8.061 4.922 210 HZ2 TRP 27 2HZ TRP 27 2.435 -7.338 6.014 211 HZ3 TRP 27 3HZ TRP 27 -1.312 -9.283 6.809 212 HH2 TRP 27 HH TRP 27 1.080 -8.928 7.362 213 H CYS 28 H CYS 28 -2.557 -3.515 1.238 214 HA CYS 28 HA CYS 28 -0.681 -2.350 -0.621 215 1HB CYS 28 2HB CYS 28 -2.365 -1.345 1.692 216 2HB CYS 28 1HB CYS 28 -1.394 -0.249 0.703 217 H VAL 29 H VAL 29 1.528 -2.372 -0.272 218 HA VAL 29 HA VAL 29 2.495 -2.386 2.560 219 HB VAL 29 HB VAL 29 4.526 -3.354 1.561 220 1HG1 VAL 29 1HG1 VAL 29 2.984 -5.032 2.110 221 2HG1 VAL 29 2HG1 VAL 29 3.314 -5.355 0.411 222 3HG1 VAL 29 3HG1 VAL 29 1.837 -4.515 0.875 223 1HG2 VAL 29 1HG2 VAL 29 5.005 -2.917 -0.596 224 2HG2 VAL 29 2HG2 VAL 29 3.431 -2.149 -0.805 225 3HG2 VAL 29 3HG2 VAL 29 3.612 -3.880 -1.086 226 H LEU 30 H LEU 30 4.440 -1.134 3.036 227 HA LEU 30 HA LEU 30 4.350 1.590 2.337 228 1HB LEU 30 2HB LEU 30 6.687 -0.169 3.162 229 2HB LEU 30 1HB LEU 30 6.657 1.590 3.284 230 HG LEU 30 HG LEU 30 4.581 -0.173 4.608 231 1HD1 LEU 30 1HD1 LEU 30 5.846 0.016 6.662 232 2HD1 LEU 30 2HD1 LEU 30 7.045 1.050 5.884 233 3HD1 LEU 30 3HD1 LEU 30 6.915 -0.650 5.428 234 1HD2 LEU 30 1HD2 LEU 30 5.250 2.733 4.506 235 2HD2 LEU 30 2HD2 LEU 30 4.730 2.093 6.065 236 3HD2 LEU 30 3HD2 LEU 30 3.678 1.947 4.658 237 H ALA 31 H ALA 31 4.280 2.035 0.117 238 HA ALA 31 HA ALA 31 6.074 0.731 -1.782 239 1HB ALA 31 1HB ALA 31 3.672 1.644 -2.100 240 2HB ALA 31 2HB ALA 31 4.834 1.979 -3.383 241 3HB ALA 31 3HB ALA 31 4.432 3.232 -2.209 242 H SER 32 H SER 32 7.627 1.894 0.202 243 HA SER 32 HA SER 32 9.184 3.851 -1.377 244 1HB SER 32 2HB SER 32 7.314 4.588 0.637 245 2HB SER 32 1HB SER 32 8.921 4.853 1.307 246 HG SER 32 HG SER 32 8.099 6.648 0.086 247 HA PRO 33 HA PRO 33 12.507 1.825 0.652 248 1HB PRO 33 2HB PRO 33 14.367 3.831 0.801 249 2HB PRO 33 1HB PRO 33 13.945 3.014 -0.718 250 1HG PRO 33 2HG PRO 33 13.054 5.656 0.322 251 2HG PRO 33 1HG PRO 33 13.463 5.173 -1.332 252 1HD PRO 33 2HD PRO 33 10.901 5.430 -0.432 253 2HD PRO 33 1HD PRO 33 11.375 4.326 -1.742 254 H PHE 34 H PHE 34 12.528 1.303 2.800 255 HA PHE 34 HA PHE 34 12.269 3.522 4.803 256 1HB PHE 34 2HB PHE 34 10.342 2.100 4.822 257 2HB PHE 34 1HB PHE 34 11.332 0.644 4.724 258 HD1 PHE 34 1HD PHE 34 11.221 3.716 6.889 259 HD2 PHE 34 2HD PHE 34 11.443 -0.569 6.701 260 HE1 PHE 34 1HE PHE 34 11.304 3.613 9.365 261 HE2 PHE 34 2HE PHE 34 11.529 -0.673 9.179 262 HZ PHE 34 HZ PHE 34 11.459 1.419 10.510 Start of MODEL 9 1 1H GLU 1 1HT GLU 1 -9.575 6.614 -4.340 2 2H GLU 1 2HT GLU 1 -8.176 5.679 -4.110 3 3H GLU 1 3HT GLU 1 -8.075 7.376 -4.130 4 HA GLU 1 HA GLU 1 -9.343 7.521 -2.080 5 1HB GLU 1 2HB GLU 1 -9.894 4.796 -2.959 6 2HB GLU 1 1HB GLU 1 -9.449 4.857 -1.253 7 1HG GLU 1 2HG GLU 1 -11.560 5.519 -0.821 8 2HG GLU 1 1HG GLU 1 -11.163 7.044 -1.616 9 H CYS 2 H CYS 2 -8.506 5.989 0.053 10 HA CYS 2 HA CYS 2 -5.554 5.664 -0.226 11 1HB CYS 2 2HB CYS 2 -6.434 8.024 0.490 12 2HB CYS 2 1HB CYS 2 -6.770 7.242 2.034 13 H GLY 3 H GLY 3 -5.355 3.546 0.461 14 1HA GLY 3 2HA GLY 3 -6.993 2.667 2.790 15 2HA GLY 3 1HA GLY 3 -6.201 1.583 1.644 16 H LYS 4 H LYS 4 -5.966 1.820 4.645 17 HA LYS 4 HA LYS 4 -3.264 2.818 5.152 18 1HB LYS 4 2HB LYS 4 -4.963 2.929 6.866 19 2HB LYS 4 1HB LYS 4 -5.292 1.202 6.722 20 1HG LYS 4 2HG LYS 4 -3.902 1.407 8.643 21 2HG LYS 4 1HG LYS 4 -2.833 0.842 7.359 22 1HD LYS 4 2HD LYS 4 -1.668 2.800 7.287 23 2HD LYS 4 1HD LYS 4 -3.106 3.781 7.574 24 1HE LYS 4 2HE LYS 4 -2.510 2.177 9.918 25 2HE LYS 4 1HE LYS 4 -1.110 3.167 9.461 26 1HZ LYS 4 1HZ LYS 4 -3.793 4.352 9.332 27 2HZ LYS 4 2HZ LYS 4 -2.296 5.103 9.619 28 3HZ LYS 4 3HZ LYS 4 -3.048 4.204 10.849 29 H PHE 5 H PHE 5 -1.454 1.455 5.733 30 HA PHE 5 HA PHE 5 -0.720 -0.620 4.102 31 1HB PHE 5 2HB PHE 5 0.786 0.405 5.679 32 2HB PHE 5 1HB PHE 5 -0.172 -0.161 7.046 33 HD1 PHE 5 1HD PHE 5 0.970 -1.805 8.229 34 HD2 PHE 5 2HD PHE 5 1.146 -1.829 3.943 35 HE1 PHE 5 1HE PHE 5 2.303 -3.893 8.295 36 HE2 PHE 5 2HE PHE 5 2.473 -3.923 4.007 37 HZ PHE 5 HZ PHE 5 3.053 -4.951 6.183 38 H MET 6 H MET 6 -0.816 -2.920 4.209 39 HA MET 6 HA MET 6 -1.676 -5.037 4.791 40 1HB MET 6 2HB MET 6 -3.122 -3.676 7.066 41 2HB MET 6 1HB MET 6 -2.526 -5.330 6.985 42 1HG MET 6 2HG MET 6 -0.182 -4.177 6.696 43 2HG MET 6 1HG MET 6 -0.988 -2.793 7.433 44 1HE MET 6 1HE MET 6 -0.048 -6.863 8.571 45 2HE MET 6 2HE MET 6 1.246 -5.822 9.158 46 3HE MET 6 3HE MET 6 0.724 -5.703 7.480 47 H TRP 7 H TRP 7 -3.457 -2.343 3.902 48 HA TRP 7 HA TRP 7 -6.156 -3.360 4.085 49 1HB TRP 7 2HB TRP 7 -4.676 -1.135 2.783 50 2HB TRP 7 1HB TRP 7 -6.224 -1.564 2.064 51 HD1 TRP 7 HD TRP 7 -5.323 -1.679 5.808 52 HE1 TRP 7 1HE TRP 7 -6.969 -0.122 7.065 53 HE3 TRP 7 3HE TRP 7 -7.844 0.316 1.862 54 HZ2 TRP 7 2HZ TRP 7 -9.048 1.704 6.476 55 HZ3 TRP 7 3HZ TRP 7 -9.662 1.972 2.229 56 HH2 TRP 7 HH TRP 7 -10.267 2.670 4.533 57 H LYS 8 H LYS 8 -7.151 -4.852 2.786 58 HA LYS 8 HA LYS 8 -5.867 -6.409 0.811 59 1HB LYS 8 2HB LYS 8 -8.165 -6.566 2.115 60 2HB LYS 8 1HB LYS 8 -8.800 -5.758 0.682 61 1HG LYS 8 2HG LYS 8 -8.763 -7.692 -0.464 62 2HG LYS 8 1HG LYS 8 -7.039 -7.879 -0.139 63 1HD LYS 8 2HD LYS 8 -7.664 -8.774 2.145 64 2HD LYS 8 1HD LYS 8 -9.343 -8.789 1.603 65 1HE LYS 8 2HE LYS 8 -7.024 -10.347 0.410 66 2HE LYS 8 1HE LYS 8 -8.481 -11.004 1.183 67 1HZ LYS 8 1HZ LYS 8 -9.794 -9.783 -0.519 68 2HZ LYS 8 2HZ LYS 8 -8.832 -11.027 -1.165 69 3HZ LYS 8 3HZ LYS 8 -8.346 -9.407 -1.318 70 H CYS 9 H CYS 9 -5.675 -6.154 -1.456 71 HA CYS 9 HA CYS 9 -6.856 -3.706 -2.678 72 1HB CYS 9 2HB CYS 9 -4.491 -3.394 -3.661 73 2HB CYS 9 1HB CYS 9 -4.720 -2.989 -1.962 74 H LYS 10 H LYS 10 -5.713 -3.802 -5.122 75 HA LYS 10 HA LYS 10 -6.299 -6.547 -6.181 76 1HB LYS 10 2HB LYS 10 -7.514 -5.481 -7.969 77 2HB LYS 10 1HB LYS 10 -8.078 -4.739 -6.472 78 1HG LYS 10 2HG LYS 10 -6.393 -2.905 -6.824 79 2HG LYS 10 1HG LYS 10 -6.033 -3.608 -8.400 80 1HD LYS 10 2HD LYS 10 -8.696 -3.472 -8.639 81 2HD LYS 10 1HD LYS 10 -8.473 -2.156 -7.485 82 1HE LYS 10 2HE LYS 10 -7.862 -0.824 -9.213 83 2HE LYS 10 1HE LYS 10 -6.439 -1.859 -9.453 84 1HZ LYS 10 1HZ LYS 10 -9.070 -1.992 -10.753 85 2HZ LYS 10 2HZ LYS 10 -8.203 -3.434 -10.519 86 3HZ LYS 10 3HZ LYS 10 -7.526 -2.171 -11.432 87 H ASN 11 H ASN 11 -4.512 -3.517 -6.530 88 HA ASN 11 HA ASN 11 -2.228 -4.880 -7.726 89 1HB ASN 11 2HB ASN 11 -4.281 -4.313 -9.434 90 2HB ASN 11 1HB ASN 11 -3.330 -2.832 -9.561 91 1HD2 ASN 11 1HD2 ASN 11 -3.668 -5.143 -11.532 92 2HD2 ASN 11 2HD2 ASN 11 -2.081 -5.638 -11.880 93 H SER 12 H SER 12 -3.865 -1.738 -7.362 94 HA SER 12 HA SER 12 -1.968 -0.532 -5.688 95 1HB SER 12 2HB SER 12 -0.268 -0.786 -7.299 96 2HB SER 12 1HB SER 12 -1.365 -0.457 -8.637 97 HG SER 12 HG SER 12 0.162 1.242 -7.226 98 H ASN 13 H ASN 13 -4.831 -0.475 -6.407 99 HA ASN 13 HA ASN 13 -5.155 2.422 -7.106 100 1HB ASN 13 2HB ASN 13 -6.580 -0.104 -7.725 101 2HB ASN 13 1HB ASN 13 -7.614 1.286 -7.398 102 1HD2 ASN 13 1HD2 ASN 13 -4.372 1.310 -8.939 103 2HD2 ASN 13 2HD2 ASN 13 -4.909 1.950 -10.417 104 H ASP 14 H ASP 14 -5.152 0.314 -4.516 105 HA ASP 14 HA ASP 14 -7.119 2.003 -3.002 106 1HB ASP 14 2HB ASP 14 -7.899 -0.294 -3.421 107 2HB ASP 14 1HB ASP 14 -6.408 -0.938 -2.732 108 H CYS 15 H CYS 15 -3.880 1.283 -3.374 109 HA CYS 15 HA CYS 15 -3.085 1.156 -0.568 110 1HB CYS 15 2HB CYS 15 -1.480 1.774 -3.066 111 2HB CYS 15 1HB CYS 15 -0.863 1.144 -1.539 112 H CYS 16 H CYS 16 -2.857 2.913 0.745 113 HA CYS 16 HA CYS 16 -3.491 5.573 0.054 114 1HB CYS 16 2HB CYS 16 -2.243 4.090 2.253 115 2HB CYS 16 1HB CYS 16 -1.671 5.750 2.133 116 H LYS 17 H LYS 17 -1.829 7.446 0.170 117 HA LYS 17 HA LYS 17 -0.095 7.481 -1.992 118 1HB LYS 17 2HB LYS 17 -0.754 9.469 -0.792 119 2HB LYS 17 1HB LYS 17 0.021 8.895 0.685 120 1HG LYS 17 2HG LYS 17 2.221 9.030 -0.378 121 2HG LYS 17 1HG LYS 17 1.477 9.519 -1.901 122 1HD LYS 17 2HD LYS 17 0.697 11.154 0.430 123 2HD LYS 17 1HD LYS 17 2.399 11.274 -0.018 124 1HE LYS 17 2HE LYS 17 1.091 12.964 -1.247 125 2HE LYS 17 1HE LYS 17 1.692 11.741 -2.384 126 1HZ LYS 17 1HZ LYS 17 -0.793 12.315 -2.453 127 2HZ LYS 17 2HZ LYS 17 -0.908 11.405 -1.023 128 3HZ LYS 17 3HZ LYS 17 -0.355 10.676 -2.455 129 H ASP 18 H ASP 18 2.114 6.995 -2.300 130 HA ASP 18 HA ASP 18 4.164 5.888 -1.930 131 1HB ASP 18 2HB ASP 18 3.309 7.052 0.687 132 2HB ASP 18 1HB ASP 18 4.673 5.934 0.699 133 H LEU 19 H LEU 19 1.336 4.529 -1.426 134 HA LEU 19 HA LEU 19 2.436 2.087 -0.070 135 1HB LEU 19 2HB LEU 19 0.374 3.600 0.744 136 2HB LEU 19 1HB LEU 19 -0.495 2.574 -0.397 137 HG LEU 19 HG LEU 19 0.495 0.569 0.744 138 1HD1 LEU 19 1HD1 LEU 19 2.336 2.209 1.767 139 2HD1 LEU 19 2HD1 LEU 19 1.834 0.758 2.634 140 3HD1 LEU 19 3HD1 LEU 19 1.162 2.326 3.078 141 1HD2 LEU 19 1HD2 LEU 19 -1.594 0.722 1.629 142 2HD2 LEU 19 2HD2 LEU 19 -1.454 2.461 1.874 143 3HD2 LEU 19 3HD2 LEU 19 -0.781 1.349 3.062 144 H VAL 20 H VAL 20 2.182 0.094 -1.161 145 HA VAL 20 HA VAL 20 0.813 0.173 -3.824 146 HB VAL 20 HB VAL 20 2.855 -1.163 -4.615 147 1HG1 VAL 20 1HG1 VAL 20 3.636 1.598 -3.707 148 2HG1 VAL 20 2HG1 VAL 20 2.338 1.392 -4.882 149 3HG1 VAL 20 3HG1 VAL 20 3.961 0.805 -5.248 150 1HG2 VAL 20 1HG2 VAL 20 3.682 -1.723 -2.349 151 2HG2 VAL 20 2HG2 VAL 20 3.977 -0.012 -2.040 152 3HG2 VAL 20 3HG2 VAL 20 4.904 -0.857 -3.279 153 H CYS 21 H CYS 21 -0.238 -1.741 -4.356 154 HA CYS 21 HA CYS 21 -0.765 -3.695 -2.287 155 1HB CYS 21 2HB CYS 21 -2.311 -2.957 -4.112 156 2HB CYS 21 1HB CYS 21 -1.260 -3.752 -5.284 157 H SER 22 H SER 22 0.005 -5.899 -2.192 158 HA SER 22 HA SER 22 2.065 -6.678 -4.198 159 1HB SER 22 2HB SER 22 2.576 -6.879 -1.240 160 2HB SER 22 1HB SER 22 3.742 -6.923 -2.559 161 HG SER 22 HG SER 22 3.474 -4.761 -2.861 162 H SER 23 H SER 23 1.748 -8.776 -4.763 163 HA SER 23 HA SER 23 -0.232 -10.446 -3.578 164 1HB SER 23 2HB SER 23 2.079 -11.524 -5.149 165 2HB SER 23 1HB SER 23 0.363 -11.893 -5.302 166 HG SER 23 HG SER 23 0.802 -10.589 -6.995 167 H ARG 24 H ARG 24 3.138 -9.898 -2.915 168 HA ARG 24 HA ARG 24 3.561 -12.354 -1.378 169 1HB ARG 24 2HB ARG 24 5.262 -10.871 -2.640 170 2HB ARG 24 1HB ARG 24 5.132 -9.767 -1.272 171 1HG ARG 24 2HG ARG 24 5.567 -11.948 0.146 172 2HG ARG 24 1HG ARG 24 6.265 -12.544 -1.361 173 1HD ARG 24 2HD ARG 24 8.092 -11.194 -1.174 174 2HD ARG 24 1HD ARG 24 7.116 -9.806 -0.652 175 HE ARG 24 HE ARG 24 7.298 -10.565 1.612 176 1HH1 ARG 24 1HH2 ARG 24 7.889 -13.202 -0.452 177 2HH1 ARG 24 2HH2 ARG 24 8.994 -13.994 0.622 178 1HH2 ARG 24 1HH1 ARG 24 9.041 -11.395 2.917 179 2HH2 ARG 24 2HH1 ARG 24 9.646 -12.971 2.530 180 H TRP 25 H TRP 25 3.135 -8.899 -0.650 181 HA TRP 25 HA TRP 25 2.752 -9.461 2.222 182 1HB TRP 25 2HB TRP 25 2.469 -6.893 0.635 183 2HB TRP 25 1HB TRP 25 2.695 -7.047 2.373 184 HD1 TRP 25 HD TRP 25 4.594 -7.236 -0.909 185 HE1 TRP 25 1HE TRP 25 7.116 -7.379 -0.414 186 HE3 TRP 25 3HE TRP 25 4.478 -7.882 4.157 187 HZ2 TRP 25 2HZ TRP 25 8.837 -7.719 1.786 188 HZ3 TRP 25 3HZ TRP 25 6.593 -8.116 5.430 189 HH2 TRP 25 HH TRP 25 8.777 -8.035 4.253 190 H LYS 26 H LYS 26 0.887 -9.844 -0.431 191 HA LYS 26 HA LYS 26 -1.401 -9.737 -0.928 192 1HB LYS 26 2HB LYS 26 -2.681 -10.862 0.963 193 2HB LYS 26 1HB LYS 26 -1.276 -11.731 0.363 194 1HG LYS 26 2HG LYS 26 -1.064 -11.880 2.695 195 2HG LYS 26 1HG LYS 26 0.006 -10.560 2.300 196 1HD LYS 26 2HD LYS 26 -1.419 -10.015 4.231 197 2HD LYS 26 1HD LYS 26 -1.763 -8.941 2.873 198 1HE LYS 26 2HE LYS 26 -3.930 -9.604 2.923 199 2HE LYS 26 1HE LYS 26 -3.421 -11.276 2.619 200 1HZ LYS 26 1HZ LYS 26 -2.691 -11.109 5.115 201 2HZ LYS 26 2HZ LYS 26 -4.293 -11.502 4.705 202 3HZ LYS 26 3HZ LYS 26 -3.897 -9.917 5.175 203 H TRP 27 H TRP 27 -0.442 -7.217 -0.164 204 HA TRP 27 HA TRP 27 -2.880 -5.845 0.267 205 1HB TRP 27 2HB TRP 27 -2.561 -5.050 2.606 206 2HB TRP 27 1HB TRP 27 -2.822 -6.782 2.505 207 HD1 TRP 27 HD TRP 27 0.554 -4.979 1.935 208 HE1 TRP 27 1HE TRP 27 2.220 -5.863 3.682 209 HE3 TRP 27 3HE TRP 27 -2.524 -7.924 4.714 210 HZ2 TRP 27 2HZ TRP 27 2.266 -7.546 5.938 211 HZ3 TRP 27 3HZ TRP 27 -1.647 -9.155 6.679 212 HH2 TRP 27 HH TRP 27 0.749 -8.973 7.299 213 H CYS 28 H CYS 28 -2.473 -3.441 0.851 214 HA CYS 28 HA CYS 28 -0.383 -2.429 -0.877 215 1HB CYS 28 2HB CYS 28 -2.318 -1.206 1.110 216 2HB CYS 28 1HB CYS 28 -1.279 -0.235 0.065 217 H VAL 29 H VAL 29 1.699 -2.931 -0.068 218 HA VAL 29 HA VAL 29 2.372 -2.586 2.753 219 HB VAL 29 HB VAL 29 4.567 -3.321 1.996 220 1HG1 VAL 29 1HG1 VAL 29 3.249 -5.219 2.098 221 2HG1 VAL 29 2HG1 VAL 29 3.686 -5.252 0.390 222 3HG1 VAL 29 3HG1 VAL 29 2.115 -4.625 0.886 223 1HG2 VAL 29 1HG2 VAL 29 5.130 -3.463 -0.361 224 2HG2 VAL 29 2HG2 VAL 29 4.594 -1.817 -0.023 225 3HG2 VAL 29 3HG2 VAL 29 3.506 -2.952 -0.821 226 H LEU 30 H LEU 30 4.362 -1.228 3.308 227 HA LEU 30 HA LEU 30 3.855 1.547 2.613 228 1HB LEU 30 2HB LEU 30 6.243 0.364 4.050 229 2HB LEU 30 1HB LEU 30 5.534 1.962 4.273 230 HG LEU 30 HG LEU 30 3.584 -0.179 4.703 231 1HD1 LEU 30 1HD1 LEU 30 6.254 -0.373 5.942 232 2HD1 LEU 30 2HD1 LEU 30 4.997 -1.598 5.779 233 3HD1 LEU 30 3HD1 LEU 30 4.912 -0.416 7.086 234 1HD2 LEU 30 1HD2 LEU 30 4.640 1.949 6.583 235 2HD2 LEU 30 2HD2 LEU 30 3.071 1.149 6.647 236 3HD2 LEU 30 3HD2 LEU 30 3.434 2.275 5.339 237 H ALA 31 H ALA 31 4.540 2.371 0.668 238 HA ALA 31 HA ALA 31 7.078 1.324 -0.517 239 1HB ALA 31 1HB ALA 31 5.965 1.498 -2.489 240 2HB ALA 31 2HB ALA 31 5.428 3.137 -2.118 241 3HB ALA 31 3HB ALA 31 4.514 1.753 -1.518 242 H SER 32 H SER 32 7.521 3.021 1.594 243 HA SER 32 HA SER 32 7.557 5.791 1.252 244 1HB SER 32 2HB SER 32 8.519 5.319 3.254 245 2HB SER 32 1HB SER 32 9.050 3.733 2.701 246 HG SER 32 HG SER 32 10.480 5.957 3.015 247 HA PRO 33 HA PRO 33 11.637 5.564 -1.203 248 1HB PRO 33 2HB PRO 33 12.648 3.108 -1.852 249 2HB PRO 33 1HB PRO 33 13.029 3.937 -0.329 250 1HG PRO 33 2HG PRO 33 11.126 1.716 -0.849 251 2HG PRO 33 1HG PRO 33 12.166 2.010 0.552 252 1HD PRO 33 2HD PRO 33 9.473 2.539 0.492 253 2HD PRO 33 1HD PRO 33 10.629 3.350 1.570 254 H PHE 34 H PHE 34 9.745 6.140 -2.664 255 HA PHE 34 HA PHE 34 8.522 5.903 -4.683 256 1HB PHE 34 2HB PHE 34 11.333 5.144 -4.957 257 2HB PHE 34 1HB PHE 34 10.321 4.423 -6.209 258 HD1 PHE 34 1HD PHE 34 12.406 7.014 -5.883 259 HD2 PHE 34 2HD PHE 34 8.233 6.368 -6.667 260 HE1 PHE 34 1HE PHE 34 12.285 9.201 -7.047 261 HE2 PHE 34 2HE PHE 34 8.112 8.552 -7.832 262 HZ PHE 34 HZ PHE 34 10.138 9.970 -8.022 Start of MODEL 10 1 1H GLU 1 1HT GLU 1 -9.174 4.303 -3.957 2 2H GLU 1 2HT GLU 1 -10.624 4.348 -3.074 3 3H GLU 1 3HT GLU 1 -9.290 3.480 -2.479 4 HA GLU 1 HA GLU 1 -8.916 6.345 -2.982 5 1HB GLU 1 2HB GLU 1 -10.054 6.904 -0.921 6 2HB GLU 1 1HB GLU 1 -11.179 5.977 -1.916 7 1HG GLU 1 2HG GLU 1 -10.155 3.914 -0.641 8 2HG GLU 1 1HG GLU 1 -9.697 5.130 0.552 9 H CYS 2 H CYS 2 -8.093 6.880 -0.402 10 HA CYS 2 HA CYS 2 -5.476 5.636 -0.309 11 1HB CYS 2 2HB CYS 2 -6.412 7.987 0.442 12 2HB CYS 2 1HB CYS 2 -6.733 7.152 1.962 13 H GLY 3 H GLY 3 -5.011 3.687 0.647 14 1HA GLY 3 2HA GLY 3 -6.891 2.704 2.756 15 2HA GLY 3 1HA GLY 3 -6.070 1.630 1.622 16 H LYS 4 H LYS 4 -5.964 1.803 4.631 17 HA LYS 4 HA LYS 4 -3.267 2.731 5.279 18 1HB LYS 4 2HB LYS 4 -5.677 2.035 6.592 19 2HB LYS 4 1HB LYS 4 -4.449 0.920 7.192 20 1HG LYS 4 2HG LYS 4 -3.437 3.649 6.978 21 2HG LYS 4 1HG LYS 4 -4.832 3.542 8.053 22 1HD LYS 4 2HD LYS 4 -2.546 1.581 8.247 23 2HD LYS 4 1HD LYS 4 -2.505 3.129 9.093 24 1HE LYS 4 2HE LYS 4 -3.929 2.373 10.690 25 2HE LYS 4 1HE LYS 4 -5.062 1.758 9.470 26 1HZ LYS 4 1HZ LYS 4 -4.266 -0.180 10.420 27 2HZ LYS 4 2HZ LYS 4 -2.697 0.434 10.633 28 3HZ LYS 4 3HZ LYS 4 -3.238 -0.003 9.083 29 H PHE 5 H PHE 5 -1.504 1.329 5.855 30 HA PHE 5 HA PHE 5 -0.784 -0.750 4.225 31 1HB PHE 5 2HB PHE 5 0.652 0.301 5.909 32 2HB PHE 5 1HB PHE 5 -0.281 -0.453 7.203 33 HD1 PHE 5 1HD PHE 5 1.226 -1.620 3.965 34 HD2 PHE 5 2HD PHE 5 0.819 -2.248 8.190 35 HE1 PHE 5 1HE PHE 5 2.631 -3.658 3.799 36 HE2 PHE 5 2HE PHE 5 2.231 -4.281 8.025 37 HZ PHE 5 HZ PHE 5 3.135 -4.984 5.823 38 H MET 6 H MET 6 -0.913 -3.055 4.326 39 HA MET 6 HA MET 6 -1.825 -5.160 4.884 40 1HB MET 6 2HB MET 6 -3.293 -3.775 7.130 41 2HB MET 6 1HB MET 6 -2.723 -5.440 7.058 42 1HG MET 6 2HG MET 6 -0.355 -4.319 6.809 43 2HG MET 6 1HG MET 6 -1.154 -2.929 7.543 44 1HE MET 6 1HE MET 6 0.419 -6.639 9.465 45 2HE MET 6 2HE MET 6 0.952 -5.688 8.081 46 3HE MET 6 3HE MET 6 -0.415 -6.786 7.911 47 H TRP 7 H TRP 7 -3.540 -2.449 3.938 48 HA TRP 7 HA TRP 7 -6.257 -3.431 4.079 49 1HB TRP 7 2HB TRP 7 -4.726 -1.233 2.780 50 2HB TRP 7 1HB TRP 7 -6.289 -1.635 2.072 51 HD1 TRP 7 HD TRP 7 -5.442 -1.833 5.816 52 HE1 TRP 7 1HE TRP 7 -7.018 -0.213 7.076 53 HE3 TRP 7 3HE TRP 7 -7.775 0.385 1.869 54 HZ2 TRP 7 2HZ TRP 7 -8.978 1.739 6.493 55 HZ3 TRP 7 3HZ TRP 7 -9.499 2.133 2.243 56 HH2 TRP 7 HH TRP 7 -10.105 2.815 4.552 57 H LYS 8 H LYS 8 -7.209 -4.952 2.795 58 HA LYS 8 HA LYS 8 -5.883 -6.474 0.806 59 1HB LYS 8 2HB LYS 8 -8.780 -5.882 1.454 60 2HB LYS 8 1HB LYS 8 -8.327 -7.033 0.198 61 1HG LYS 8 2HG LYS 8 -6.740 -7.912 2.200 62 2HG LYS 8 1HG LYS 8 -8.078 -7.259 3.147 63 1HD LYS 8 2HD LYS 8 -8.964 -9.339 2.759 64 2HD LYS 8 1HD LYS 8 -9.485 -8.572 1.258 65 1HE LYS 8 2HE LYS 8 -8.378 -10.303 0.248 66 2HE LYS 8 1HE LYS 8 -6.915 -9.375 0.633 67 1HZ LYS 8 1HZ LYS 8 -7.280 -10.473 2.964 68 2HZ LYS 8 2HZ LYS 8 -6.463 -11.313 1.734 69 3HZ LYS 8 3HZ LYS 8 -8.096 -11.652 2.058 70 H CYS 9 H CYS 9 -5.466 -6.025 -1.338 71 HA CYS 9 HA CYS 9 -6.999 -3.825 -2.659 72 1HB CYS 9 2HB CYS 9 -4.664 -3.227 -3.611 73 2HB CYS 9 1HB CYS 9 -4.992 -2.798 -1.933 74 H LYS 10 H LYS 10 -5.881 -3.838 -5.112 75 HA LYS 10 HA LYS 10 -6.171 -6.670 -6.060 76 1HB LYS 10 2HB LYS 10 -7.280 -5.732 -7.990 77 2HB LYS 10 1HB LYS 10 -7.995 -4.974 -6.568 78 1HG LYS 10 2HG LYS 10 -6.392 -3.063 -6.858 79 2HG LYS 10 1HG LYS 10 -5.863 -3.798 -8.373 80 1HD LYS 10 2HD LYS 10 -8.787 -3.545 -8.118 81 2HD LYS 10 1HD LYS 10 -7.931 -2.003 -8.156 82 1HE LYS 10 2HE LYS 10 -7.864 -2.244 -10.416 83 2HE LYS 10 1HE LYS 10 -6.689 -3.547 -10.148 84 1HZ LYS 10 1HZ LYS 10 -9.569 -4.065 -9.805 85 2HZ LYS 10 2HZ LYS 10 -8.321 -5.157 -10.180 86 3HZ LYS 10 3HZ LYS 10 -8.897 -4.082 -11.363 87 H ASN 11 H ASN 11 -4.447 -3.612 -6.418 88 HA ASN 11 HA ASN 11 -2.032 -4.918 -7.348 89 1HB ASN 11 2HB ASN 11 -4.108 -4.112 -9.231 90 2HB ASN 11 1HB ASN 11 -2.567 -3.331 -9.581 91 1HD2 ASN 11 1HD2 ASN 11 -4.133 -5.782 -10.799 92 2HD2 ASN 11 2HD2 ASN 11 -2.923 -6.964 -10.939 93 H SER 12 H SER 12 -3.913 -1.910 -7.312 94 HA SER 12 HA SER 12 -2.111 -0.413 -5.762 95 1HB SER 12 2HB SER 12 -1.421 -0.786 -8.600 96 2HB SER 12 1HB SER 12 -1.380 0.892 -8.068 97 HG SER 12 HG SER 12 0.269 -1.204 -7.448 98 H ASN 13 H ASN 13 -4.991 -0.695 -6.433 99 HA ASN 13 HA ASN 13 -5.610 2.086 -7.359 100 1HB ASN 13 2HB ASN 13 -6.601 0.381 -8.731 101 2HB ASN 13 1HB ASN 13 -7.147 -0.523 -7.318 102 1HD2 ASN 13 1HD2 ASN 13 -7.752 2.414 -9.237 103 2HD2 ASN 13 2HD2 ASN 13 -9.295 2.715 -8.600 104 H ASP 14 H ASP 14 -5.191 0.433 -4.527 105 HA ASP 14 HA ASP 14 -7.163 2.183 -3.113 106 1HB ASP 14 2HB ASP 14 -7.531 -0.503 -3.575 107 2HB ASP 14 1HB ASP 14 -6.770 -0.512 -1.984 108 H CYS 15 H CYS 15 -3.977 1.338 -3.454 109 HA CYS 15 HA CYS 15 -3.190 1.195 -0.644 110 1HB CYS 15 2HB CYS 15 -1.641 1.670 -3.210 111 2HB CYS 15 1HB CYS 15 -0.937 1.219 -1.657 112 H CYS 16 H CYS 16 -2.754 2.922 0.664 113 HA CYS 16 HA CYS 16 -3.335 5.619 -0.039 114 1HB CYS 16 2HB CYS 16 -2.148 4.081 2.180 115 2HB CYS 16 1HB CYS 16 -1.618 5.760 2.097 116 H LYS 17 H LYS 17 -1.604 7.420 0.156 117 HA LYS 17 HA LYS 17 0.220 7.362 -1.950 118 1HB LYS 17 2HB LYS 17 -0.664 9.266 -0.439 119 2HB LYS 17 1HB LYS 17 0.675 8.858 0.633 120 1HG LYS 17 2HG LYS 17 1.706 8.995 -2.026 121 2HG LYS 17 1HG LYS 17 0.735 10.441 -1.751 122 1HD LYS 17 2HD LYS 17 2.076 10.278 0.617 123 2HD LYS 17 1HD LYS 17 3.278 9.613 -0.489 124 1HE LYS 17 2HE LYS 17 2.901 11.639 -1.974 125 2HE LYS 17 1HE LYS 17 1.935 12.329 -0.654 126 1HZ LYS 17 1HZ LYS 17 4.200 13.019 -0.370 127 2HZ LYS 17 2HZ LYS 17 4.762 11.422 -0.507 128 3HZ LYS 17 3HZ LYS 17 3.837 11.887 0.840 129 H ASP 18 H ASP 18 2.502 6.948 -2.051 130 HA ASP 18 HA ASP 18 4.486 5.782 -1.509 131 1HB ASP 18 2HB ASP 18 3.392 6.897 1.050 132 2HB ASP 18 1HB ASP 18 4.769 5.798 1.140 133 H LEU 19 H LEU 19 1.628 4.476 -1.380 134 HA LEU 19 HA LEU 19 2.535 1.966 -0.016 135 1HB LEU 19 2HB LEU 19 0.628 3.508 0.953 136 2HB LEU 19 1HB LEU 19 -0.349 2.762 -0.312 137 HG LEU 19 HG LEU 19 0.443 0.510 0.564 138 1HD1 LEU 19 1HD1 LEU 19 2.362 1.704 1.858 139 2HD1 LEU 19 2HD1 LEU 19 1.535 0.363 2.649 140 3HD1 LEU 19 3HD1 LEU 19 1.132 2.025 3.079 141 1HD2 LEU 19 1HD2 LEU 19 -1.174 2.350 2.354 142 2HD2 LEU 19 2HD2 LEU 19 -1.108 0.598 2.546 143 3HD2 LEU 19 3HD2 LEU 19 -1.795 1.301 1.080 144 H VAL 20 H VAL 20 2.356 0.106 -1.267 145 HA VAL 20 HA VAL 20 0.798 0.285 -3.818 146 HB VAL 20 HB VAL 20 2.729 -0.785 -4.939 147 1HG1 VAL 20 1HG1 VAL 20 3.450 1.702 -3.358 148 2HG1 VAL 20 2HG1 VAL 20 2.586 1.674 -4.895 149 3HG1 VAL 20 3HG1 VAL 20 4.269 1.150 -4.819 150 1HG2 VAL 20 1HG2 VAL 20 4.911 -0.714 -3.527 151 2HG2 VAL 20 2HG2 VAL 20 3.788 -2.043 -3.243 152 3HG2 VAL 20 3HG2 VAL 20 3.831 -0.673 -2.133 153 H CYS 21 H CYS 21 -0.348 -1.574 -4.272 154 HA CYS 21 HA CYS 21 -0.757 -3.591 -2.287 155 1HB CYS 21 2HB CYS 21 -2.269 -2.798 -4.166 156 2HB CYS 21 1HB CYS 21 -1.270 -3.740 -5.270 157 H SER 22 H SER 22 0.025 -5.788 -2.198 158 HA SER 22 HA SER 22 2.073 -6.560 -4.218 159 1HB SER 22 2HB SER 22 2.860 -5.299 -2.008 160 2HB SER 22 1HB SER 22 2.710 -6.916 -1.324 161 HG SER 22 HG SER 22 4.042 -6.501 -3.771 162 H SER 23 H SER 23 1.802 -8.658 -4.772 163 HA SER 23 HA SER 23 -0.167 -10.353 -3.611 164 1HB SER 23 2HB SER 23 1.372 -10.248 -5.894 165 2HB SER 23 1HB SER 23 2.072 -11.622 -5.045 166 HG SER 23 HG SER 23 -0.713 -11.259 -5.449 167 H ARG 24 H ARG 24 3.181 -9.740 -2.896 168 HA ARG 24 HA ARG 24 3.617 -12.171 -1.324 169 1HB ARG 24 2HB ARG 24 5.298 -10.617 -2.577 170 2HB ARG 24 1HB ARG 24 5.153 -9.571 -1.164 171 1HG ARG 24 2HG ARG 24 5.608 -11.797 0.169 172 2HG ARG 24 1HG ARG 24 6.306 -12.336 -1.360 173 1HD ARG 24 2HD ARG 24 8.090 -10.897 -1.200 174 2HD ARG 24 1HD ARG 24 7.120 -9.622 -0.437 175 HE ARG 24 HE ARG 24 7.319 -10.805 1.688 176 1HH1 ARG 24 1HH2 ARG 24 10.178 -10.616 0.763 177 2HH1 ARG 24 2HH2 ARG 24 10.733 -12.239 0.997 178 1HH2 ARG 24 1HH1 ARG 24 7.545 -13.576 1.254 179 2HH2 ARG 24 2HH1 ARG 24 9.243 -13.916 1.275 180 H TRP 25 H TRP 25 3.002 -8.729 -0.689 181 HA TRP 25 HA TRP 25 2.624 -9.249 2.195 182 1HB TRP 25 2HB TRP 25 2.277 -6.748 0.521 183 2HB TRP 25 1HB TRP 25 2.345 -6.823 2.275 184 HD1 TRP 25 HD TRP 25 4.552 -7.048 -0.809 185 HE1 TRP 25 1HE TRP 25 7.022 -6.989 -0.078 186 HE3 TRP 25 3HE TRP 25 4.001 -7.423 4.262 187 HZ2 TRP 25 2HZ TRP 25 8.545 -7.088 2.284 188 HZ3 TRP 25 3HZ TRP 25 6.001 -7.440 5.730 189 HH2 TRP 25 HH TRP 25 8.275 -7.272 4.751 190 H LYS 26 H LYS 26 0.809 -9.783 -0.473 191 HA LYS 26 HA LYS 26 -1.491 -9.795 -0.965 192 1HB LYS 26 2HB LYS 26 -2.649 -10.648 1.334 193 2HB LYS 26 1HB LYS 26 -1.713 -11.695 0.279 194 1HG LYS 26 2HG LYS 26 -0.721 -12.149 2.316 195 2HG LYS 26 1HG LYS 26 0.316 -10.847 1.787 196 1HD LYS 26 2HD LYS 26 -0.237 -9.763 3.688 197 2HD LYS 26 1HD LYS 26 -1.862 -9.586 3.025 198 1HE LYS 26 2HE LYS 26 -2.383 -10.737 4.976 199 2HE LYS 26 1HE LYS 26 -2.062 -12.123 3.918 200 1HZ LYS 26 1HZ LYS 26 0.313 -10.937 5.038 201 2HZ LYS 26 2HZ LYS 26 -0.144 -12.571 4.948 202 3HZ LYS 26 3HZ LYS 26 -0.723 -11.593 6.210 203 H TRP 27 H TRP 27 -0.532 -7.210 -0.178 204 HA TRP 27 HA TRP 27 -2.990 -5.835 0.108 205 1HB TRP 27 2HB TRP 27 -2.790 -5.047 2.472 206 2HB TRP 27 1HB TRP 27 -3.085 -6.773 2.345 207 HD1 TRP 27 HD TRP 27 0.316 -4.925 2.046 208 HE1 TRP 27 1HE TRP 27 1.899 -5.929 3.811 209 HE3 TRP 27 3HE TRP 27 -2.856 -8.115 4.425 210 HZ2 TRP 27 2HZ TRP 27 1.853 -7.770 5.930 211 HZ3 TRP 27 3HZ TRP 27 -2.057 -9.482 6.328 212 HH2 TRP 27 HH TRP 27 0.296 -9.318 7.089 213 H CYS 28 H CYS 28 -2.590 -3.441 0.756 214 HA CYS 28 HA CYS 28 -0.447 -2.401 -0.849 215 1HB CYS 28 2HB CYS 28 -2.265 -1.206 1.269 216 2HB CYS 28 1HB CYS 28 -1.251 -0.246 0.191 217 H VAL 29 H VAL 29 1.682 -2.156 -0.266 218 HA VAL 29 HA VAL 29 2.369 -2.279 2.637 219 HB VAL 29 HB VAL 29 4.074 -2.831 0.246 220 1HG1 VAL 29 1HG1 VAL 29 5.441 -2.417 2.145 221 2HG1 VAL 29 2HG1 VAL 29 5.352 -4.172 2.000 222 3HG1 VAL 29 3HG1 VAL 29 4.367 -3.336 3.198 223 1HG2 VAL 29 1HG2 VAL 29 3.029 -5.036 1.942 224 2HG2 VAL 29 2HG2 VAL 29 3.390 -5.031 0.215 225 3HG2 VAL 29 3HG2 VAL 29 1.898 -4.302 0.807 226 H LEU 30 H LEU 30 4.425 -1.042 3.179 227 HA LEU 30 HA LEU 30 4.143 1.727 2.419 228 1HB LEU 30 2HB LEU 30 6.410 0.260 3.806 229 2HB LEU 30 1HB LEU 30 6.077 1.990 3.904 230 HG LEU 30 HG LEU 30 4.193 -0.203 4.825 231 1HD1 LEU 30 1HD1 LEU 30 4.742 0.583 7.088 232 2HD1 LEU 30 2HD1 LEU 30 5.867 1.764 6.418 233 3HD1 LEU 30 3HD1 LEU 30 6.200 0.040 6.261 234 1HD2 LEU 30 1HD2 LEU 30 3.331 2.102 5.973 235 2HD2 LEU 30 2HD2 LEU 30 2.712 1.501 4.434 236 3HD2 LEU 30 3HD2 LEU 30 3.972 2.735 4.456 237 H ALA 31 H ALA 31 4.359 0.866 -0.022 238 HA ALA 31 HA ALA 31 5.683 0.694 -1.986 239 1HB ALA 31 1HB ALA 31 6.165 3.083 -0.414 240 2HB ALA 31 2HB ALA 31 6.038 2.920 -2.165 241 3HB ALA 31 3HB ALA 31 7.591 2.674 -1.368 242 H SER 32 H SER 32 6.465 -1.343 -0.317 243 HA SER 32 HA SER 32 9.226 -1.341 0.464 244 1HB SER 32 2HB SER 32 8.137 -3.119 1.400 245 2HB SER 32 1HB SER 32 6.989 -3.234 0.069 246 HG SER 32 HG SER 32 8.239 -4.651 -0.863 247 HA PRO 33 HA PRO 33 10.053 -3.352 -3.787 248 1HB PRO 33 2HB PRO 33 8.029 -3.394 -5.622 249 2HB PRO 33 1HB PRO 33 8.276 -4.684 -4.430 250 1HG PRO 33 2HG PRO 33 6.296 -2.478 -4.446 251 2HG PRO 33 1HG PRO 33 6.140 -4.135 -3.845 252 1HD PRO 33 2HD PRO 33 6.552 -1.909 -2.265 253 2HD PRO 33 1HD PRO 33 6.915 -3.580 -1.782 254 H PHE 34 H PHE 34 10.853 -0.953 -3.427 255 HA PHE 34 HA PHE 34 10.494 0.466 -5.981 256 1HB PHE 34 2HB PHE 34 8.679 1.028 -4.085 257 2HB PHE 34 1HB PHE 34 9.967 2.103 -3.539 258 HD1 PHE 34 1HD PHE 34 11.135 3.513 -5.465 259 HD2 PHE 34 2HD PHE 34 7.203 1.802 -5.714 260 HE1 PHE 34 1HE PHE 34 10.548 5.126 -7.256 261 HE2 PHE 34 2HE PHE 34 6.615 3.415 -7.504 262 HZ PHE 34 HZ PHE 34 8.287 5.077 -8.275 Start of MODEL 11 1 1H GLU 1 1HT GLU 1 -7.895 5.300 -4.748 2 2H GLU 1 2HT GLU 1 -9.200 4.361 -4.197 3 3H GLU 1 3HT GLU 1 -7.610 3.955 -3.757 4 HA GLU 1 HA GLU 1 -8.405 6.647 -3.027 5 1HB GLU 1 2HB GLU 1 -9.792 5.730 -1.138 6 2HB GLU 1 1HB GLU 1 -10.515 5.480 -2.728 7 1HG GLU 1 2HG GLU 1 -9.803 3.184 -2.782 8 2HG GLU 1 1HG GLU 1 -8.795 3.404 -1.351 9 H CYS 2 H CYS 2 -8.077 6.381 -0.342 10 HA CYS 2 HA CYS 2 -5.428 5.002 -0.028 11 1HB CYS 2 2HB CYS 2 -4.977 7.323 -0.203 12 2HB CYS 2 1HB CYS 2 -6.414 7.757 0.718 13 H GLY 3 H GLY 3 -5.711 3.373 1.443 14 1HA GLY 3 2HA GLY 3 -7.638 3.838 3.685 15 2HA GLY 3 1HA GLY 3 -7.247 2.244 3.039 16 H LYS 4 H LYS 4 -5.978 1.133 4.434 17 HA LYS 4 HA LYS 4 -3.713 2.587 5.740 18 1HB LYS 4 2HB LYS 4 -6.071 1.794 6.971 19 2HB LYS 4 1HB LYS 4 -4.958 0.477 7.349 20 1HG LYS 4 2HG LYS 4 -3.879 3.233 7.622 21 2HG LYS 4 1HG LYS 4 -5.084 2.742 8.814 22 1HD LYS 4 2HD LYS 4 -3.669 1.273 9.810 23 2HD LYS 4 1HD LYS 4 -3.045 0.689 8.267 24 1HE LYS 4 2HE LYS 4 -1.676 2.784 8.075 25 2HE LYS 4 1HE LYS 4 -2.220 3.239 9.701 26 1HZ LYS 4 1HZ LYS 4 -0.370 1.160 8.896 27 2HZ LYS 4 2HZ LYS 4 -1.509 0.680 10.062 28 3HZ LYS 4 3HZ LYS 4 -0.482 1.998 10.365 29 H PHE 5 H PHE 5 -1.851 1.284 6.048 30 HA PHE 5 HA PHE 5 -1.099 -0.646 4.251 31 1HB PHE 5 2HB PHE 5 0.372 0.394 5.903 32 2HB PHE 5 1HB PHE 5 -0.455 -0.455 7.208 33 HD1 PHE 5 1HD PHE 5 -0.228 -2.915 7.458 34 HD2 PHE 5 2HD PHE 5 1.968 -0.736 4.477 35 HE1 PHE 5 1HE PHE 5 1.295 -4.849 7.164 36 HE2 PHE 5 2HE PHE 5 3.492 -2.667 4.191 37 HZ PHE 5 HZ PHE 5 3.155 -4.723 5.526 38 H MET 6 H MET 6 -0.975 -2.990 4.351 39 HA MET 6 HA MET 6 -1.728 -5.166 4.883 40 1HB MET 6 2HB MET 6 -1.852 -3.772 7.245 41 2HB MET 6 1HB MET 6 -3.529 -4.281 7.047 42 1HG MET 6 2HG MET 6 -2.920 -6.585 6.924 43 2HG MET 6 1HG MET 6 -1.209 -6.195 6.737 44 1HE MET 6 1HE MET 6 0.179 -4.803 9.080 45 2HE MET 6 2HE MET 6 0.276 -6.291 8.142 46 3HE MET 6 3HE MET 6 0.251 -6.369 9.902 47 H TRP 7 H TRP 7 -3.638 -2.556 3.963 48 HA TRP 7 HA TRP 7 -6.274 -3.707 4.004 49 1HB TRP 7 2HB TRP 7 -4.833 -1.443 2.725 50 2HB TRP 7 1HB TRP 7 -6.319 -1.961 1.934 51 HD1 TRP 7 HD TRP 7 -5.658 -2.011 5.722 52 HE1 TRP 7 1HE TRP 7 -7.420 -0.496 6.859 53 HE3 TRP 7 3HE TRP 7 -7.967 -0.086 1.606 54 HZ2 TRP 7 2HZ TRP 7 -9.502 1.272 6.131 55 HZ3 TRP 7 3HZ TRP 7 -9.847 1.520 1.852 56 HH2 TRP 7 HH TRP 7 -10.618 2.203 4.112 57 H LYS 8 H LYS 8 -7.263 -5.090 2.562 58 HA LYS 8 HA LYS 8 -5.646 -6.583 0.661 59 1HB LYS 8 2HB LYS 8 -7.767 -7.769 0.299 60 2HB LYS 8 1HB LYS 8 -7.535 -7.486 2.026 61 1HG LYS 8 2HG LYS 8 -9.620 -6.592 1.965 62 2HG LYS 8 1HG LYS 8 -8.833 -5.190 1.239 63 1HD LYS 8 2HD LYS 8 -9.957 -5.530 -0.678 64 2HD LYS 8 1HD LYS 8 -9.260 -7.145 -0.811 65 1HE LYS 8 2HE LYS 8 -11.049 -8.006 0.715 66 2HE LYS 8 1HE LYS 8 -11.786 -6.391 0.702 67 1HZ LYS 8 1HZ LYS 8 -11.365 -8.229 -1.581 68 2HZ LYS 8 2HZ LYS 8 -11.630 -6.567 -1.810 69 3HZ LYS 8 3HZ LYS 8 -12.816 -7.523 -1.057 70 H CYS 9 H CYS 9 -5.239 -5.928 -1.404 71 HA CYS 9 HA CYS 9 -7.262 -4.246 -2.815 72 1HB CYS 9 2HB CYS 9 -4.982 -3.177 -3.726 73 2HB CYS 9 1HB CYS 9 -5.740 -2.600 -2.245 74 H LYS 10 H LYS 10 -6.226 -4.018 -5.248 75 HA LYS 10 HA LYS 10 -5.870 -6.836 -6.151 76 1HB LYS 10 2HB LYS 10 -6.793 -6.041 -8.215 77 2HB LYS 10 1HB LYS 10 -7.734 -5.274 -6.937 78 1HG LYS 10 2HG LYS 10 -6.189 -3.277 -7.112 79 2HG LYS 10 1HG LYS 10 -5.479 -4.034 -8.539 80 1HD LYS 10 2HD LYS 10 -7.455 -3.836 -9.790 81 2HD LYS 10 1HD LYS 10 -8.460 -3.666 -8.351 82 1HE LYS 10 2HE LYS 10 -8.385 -1.434 -8.895 83 2HE LYS 10 1HE LYS 10 -6.809 -1.496 -8.084 84 1HZ LYS 10 1HZ LYS 10 -6.166 -2.464 -10.470 85 2HZ LYS 10 2HZ LYS 10 -6.077 -0.809 -10.095 86 3HZ LYS 10 3HZ LYS 10 -7.424 -1.424 -10.929 87 H ASN 11 H ASN 11 -4.454 -3.591 -6.520 88 HA ASN 11 HA ASN 11 -1.854 -4.834 -7.163 89 1HB ASN 11 2HB ASN 11 -3.721 -3.743 -9.112 90 2HB ASN 11 1HB ASN 11 -2.163 -2.921 -9.176 91 1HD2 ASN 11 1HD2 ASN 11 -3.122 -4.737 -11.252 92 2HD2 ASN 11 2HD2 ASN 11 -2.067 -6.067 -11.284 93 H SER 12 H SER 12 -3.714 -1.813 -6.780 94 HA SER 12 HA SER 12 -2.019 -0.648 -4.871 95 1HB SER 12 2HB SER 12 -0.180 -0.669 -6.306 96 2HB SER 12 1HB SER 12 -1.171 -0.372 -7.731 97 HG SER 12 HG SER 12 -0.011 1.494 -7.121 98 H ASN 13 H ASN 13 -4.317 -0.235 -7.448 99 HA ASN 13 HA ASN 13 -4.772 2.565 -7.337 100 1HB ASN 13 2HB ASN 13 -5.983 0.157 -8.376 101 2HB ASN 13 1HB ASN 13 -7.230 1.238 -7.752 102 1HD2 ASN 13 1HD2 ASN 13 -4.096 1.835 -9.451 103 2HD2 ASN 13 2HD2 ASN 13 -4.771 2.831 -10.647 104 H ASP 14 H ASP 14 -5.306 0.195 -4.921 105 HA ASP 14 HA ASP 14 -7.352 1.916 -3.568 106 1HB ASP 14 2HB ASP 14 -7.337 -0.748 -4.137 107 2HB ASP 14 1HB ASP 14 -6.659 -0.760 -2.508 108 H CYS 15 H CYS 15 -4.021 1.177 -3.479 109 HA CYS 15 HA CYS 15 -3.664 1.316 -0.587 110 1HB CYS 15 2HB CYS 15 -1.779 1.569 -2.953 111 2HB CYS 15 1HB CYS 15 -1.275 1.339 -1.277 112 H CYS 16 H CYS 16 -2.360 3.050 0.421 113 HA CYS 16 HA CYS 16 -3.351 5.707 -0.305 114 1HB CYS 16 2HB CYS 16 -1.653 4.453 1.843 115 2HB CYS 16 1HB CYS 16 -1.784 6.206 1.727 116 H LYS 17 H LYS 17 -1.629 7.545 -0.213 117 HA LYS 17 HA LYS 17 0.093 7.422 -2.428 118 1HB LYS 17 2HB LYS 17 -0.792 9.436 -1.204 119 2HB LYS 17 1HB LYS 17 0.373 9.105 0.080 120 1HG LYS 17 2HG LYS 17 1.844 10.352 -1.091 121 2HG LYS 17 1HG LYS 17 1.897 9.027 -2.255 122 1HD LYS 17 2HD LYS 17 1.364 11.241 -3.301 123 2HD LYS 17 1HD LYS 17 0.108 10.029 -3.558 124 1HE LYS 17 2HE LYS 17 -1.425 11.262 -2.423 125 2HE LYS 17 1HE LYS 17 -0.299 11.545 -1.080 126 1HZ LYS 17 1HZ LYS 17 -0.457 12.993 -3.662 127 2HZ LYS 17 2HZ LYS 17 0.905 13.084 -2.651 128 3HZ LYS 17 3HZ LYS 17 -0.604 13.634 -2.098 129 H ASP 18 H ASP 18 2.398 7.141 -2.548 130 HA ASP 18 HA ASP 18 4.452 6.112 -1.993 131 1HB ASP 18 2HB ASP 18 3.374 7.169 0.624 132 2HB ASP 18 1HB ASP 18 4.932 6.347 0.547 133 H LEU 19 H LEU 19 1.684 4.650 -1.728 134 HA LEU 19 HA LEU 19 2.800 2.249 -0.321 135 1HB LEU 19 2HB LEU 19 0.936 3.755 0.788 136 2HB LEU 19 1HB LEU 19 -0.131 2.922 -0.343 137 HG LEU 19 HG LEU 19 0.521 0.755 0.553 138 1HD1 LEU 19 1HD1 LEU 19 2.038 0.763 2.620 139 2HD1 LEU 19 2HD1 LEU 19 2.478 2.411 2.174 140 3HD1 LEU 19 3HD1 LEU 19 2.840 1.078 1.085 141 1HD2 LEU 19 1HD2 LEU 19 -0.058 1.250 3.068 142 2HD2 LEU 19 2HD2 LEU 19 -1.262 1.579 1.821 143 3HD2 LEU 19 3HD2 LEU 19 -0.305 2.899 2.494 144 H VAL 20 H VAL 20 2.350 0.263 -1.363 145 HA VAL 20 HA VAL 20 0.643 0.340 -3.814 146 HB VAL 20 HB VAL 20 2.535 -0.846 -4.991 147 1HG1 VAL 20 1HG1 VAL 20 2.151 1.586 -5.261 148 2HG1 VAL 20 2HG1 VAL 20 3.869 1.200 -5.325 149 3HG1 VAL 20 3HG1 VAL 20 3.177 1.897 -3.860 150 1HG2 VAL 20 1HG2 VAL 20 4.244 -1.601 -3.731 151 2HG2 VAL 20 2HG2 VAL 20 3.572 -0.809 -2.306 152 3HG2 VAL 20 3HG2 VAL 20 4.678 0.067 -3.363 153 H CYS 21 H CYS 21 -0.487 -1.573 -4.107 154 HA CYS 21 HA CYS 21 -0.672 -3.510 -2.018 155 1HB CYS 21 2HB CYS 21 -2.236 -2.797 -3.999 156 2HB CYS 21 1HB CYS 21 -1.386 -4.056 -4.888 157 H SER 22 H SER 22 -0.012 -5.791 -2.072 158 HA SER 22 HA SER 22 2.112 -6.487 -4.035 159 1HB SER 22 2HB SER 22 2.531 -5.548 -1.379 160 2HB SER 22 1HB SER 22 2.963 -7.255 -1.416 161 HG SER 22 HG SER 22 3.993 -6.425 -3.568 162 H SER 23 H SER 23 1.700 -8.510 -4.749 163 HA SER 23 HA SER 23 -0.281 -10.231 -3.663 164 1HB SER 23 2HB SER 23 0.232 -10.573 -5.914 165 2HB SER 23 1HB SER 23 1.964 -10.401 -5.642 166 HG SER 23 HG SER 23 1.710 -12.539 -5.866 167 H ARG 24 H ARG 24 3.109 -9.797 -2.950 168 HA ARG 24 HA ARG 24 3.450 -12.348 -1.556 169 1HB ARG 24 2HB ARG 24 5.135 -10.637 -2.718 170 2HB ARG 24 1HB ARG 24 5.155 -9.920 -1.107 171 1HG ARG 24 2HG ARG 24 5.631 -12.256 -0.209 172 2HG ARG 24 1HG ARG 24 5.905 -12.746 -1.881 173 1HD ARG 24 2HD ARG 24 7.894 -11.599 -2.030 174 2HD ARG 24 1HD ARG 24 7.329 -10.286 -0.977 175 HE ARG 24 HE ARG 24 7.780 -11.700 0.956 176 1HH1 ARG 24 1HH1 ARG 24 7.320 -14.332 -0.527 177 2HH1 ARG 24 2HH1 ARG 24 8.926 -14.978 -0.557 178 1HH2 ARG 24 1HH2 ARG 24 10.443 -11.965 0.234 179 2HH2 ARG 24 2HH2 ARG 24 10.691 -13.639 -0.132 180 H TRP 25 H TRP 25 2.796 -8.976 -0.720 181 HA TRP 25 HA TRP 25 2.476 -9.707 2.147 182 1HB TRP 25 2HB TRP 25 2.360 -7.033 0.742 183 2HB TRP 25 1HB TRP 25 2.512 -7.308 2.472 184 HD1 TRP 25 HD TRP 25 4.576 -6.835 -0.562 185 HE1 TRP 25 1HE TRP 25 7.049 -7.352 -0.055 186 HE3 TRP 25 3HE TRP 25 4.105 -9.078 4.005 187 HZ2 TRP 25 2HZ TRP 25 8.602 -8.536 1.973 188 HZ3 TRP 25 3HZ TRP 25 6.117 -9.891 5.205 189 HH2 TRP 25 HH TRP 25 8.369 -9.626 4.197 190 H LYS 26 H LYS 26 0.660 -9.921 -0.503 191 HA LYS 26 HA LYS 26 -1.606 -9.681 -1.053 192 1HB LYS 26 2HB LYS 26 -2.957 -10.618 1.019 193 2HB LYS 26 1HB LYS 26 -1.862 -11.658 0.119 194 1HG LYS 26 2HG LYS 26 -1.274 -12.084 2.341 195 2HG LYS 26 1HG LYS 26 -0.081 -10.893 1.880 196 1HD LYS 26 2HD LYS 26 -0.811 -9.928 3.841 197 2HD LYS 26 1HD LYS 26 -1.991 -9.222 2.737 198 1HE LYS 26 2HE LYS 26 -2.509 -11.877 4.098 199 2HE LYS 26 1HE LYS 26 -2.951 -10.333 4.855 200 1HZ LYS 26 1HZ LYS 26 -4.811 -10.741 3.601 201 2HZ LYS 26 2HZ LYS 26 -3.954 -11.537 2.368 202 3HZ LYS 26 3HZ LYS 26 -3.894 -9.843 2.492 203 H TRP 27 H TRP 27 -0.467 -7.216 -0.104 204 HA TRP 27 HA TRP 27 -2.869 -5.738 0.230 205 1HB TRP 27 2HB TRP 27 -2.613 -5.036 2.611 206 2HB TRP 27 1HB TRP 27 -2.987 -6.742 2.423 207 HD1 TRP 27 HD TRP 27 0.518 -5.141 2.075 208 HE1 TRP 27 1HE TRP 27 2.051 -6.223 3.835 209 HE3 TRP 27 3HE TRP 27 -2.851 -8.022 4.578 210 HZ2 TRP 27 2HZ TRP 27 1.901 -8.013 5.994 211 HZ3 TRP 27 3HZ TRP 27 -2.127 -9.405 6.503 212 HH2 TRP 27 HH TRP 27 0.250 -9.408 7.217 213 H CYS 28 H CYS 28 -2.404 -3.400 0.990 214 HA CYS 28 HA CYS 28 -0.388 -2.270 -0.667 215 1HB CYS 28 2HB CYS 28 -1.901 -1.203 1.738 216 2HB CYS 28 1HB CYS 28 -1.054 -0.203 0.559 217 H VAL 29 H VAL 29 1.780 -2.497 -0.309 218 HA VAL 29 HA VAL 29 2.774 -2.496 2.510 219 HB VAL 29 HB VAL 29 4.797 -3.513 1.403 220 1HG1 VAL 29 1HG1 VAL 29 2.328 -4.647 2.049 221 2HG1 VAL 29 2HG1 VAL 29 3.839 -5.522 1.796 222 3HG1 VAL 29 3HG1 VAL 29 2.707 -5.308 0.460 223 1HG2 VAL 29 1HG2 VAL 29 4.176 -2.460 -0.854 224 2HG2 VAL 29 2HG2 VAL 29 2.994 -3.759 -1.016 225 3HG2 VAL 29 3HG2 VAL 29 4.712 -4.140 -0.901 226 H LEU 30 H LEU 30 4.469 -1.068 3.060 227 HA LEU 30 HA LEU 30 4.564 1.514 2.129 228 1HB LEU 30 2HB LEU 30 6.845 -0.250 3.076 229 2HB LEU 30 1HB LEU 30 6.912 1.512 3.025 230 HG LEU 30 HG LEU 30 4.808 -0.045 4.556 231 1HD1 LEU 30 1HD1 LEU 30 6.638 1.398 6.230 232 2HD1 LEU 30 2HD1 LEU 30 7.561 0.328 5.173 233 3HD1 LEU 30 3HD1 LEU 30 6.299 -0.332 6.214 234 1HD2 LEU 30 1HD2 LEU 30 4.851 2.589 3.703 235 2HD2 LEU 30 2HD2 LEU 30 5.506 2.700 5.336 236 3HD2 LEU 30 3HD2 LEU 30 3.919 1.979 5.073 237 H ALA 31 H ALA 31 5.220 2.493 0.236 238 HA ALA 31 HA ALA 31 6.193 0.840 -1.963 239 1HB ALA 31 1HB ALA 31 5.660 3.798 -1.594 240 2HB ALA 31 2HB ALA 31 4.603 2.614 -2.362 241 3HB ALA 31 3HB ALA 31 6.116 3.080 -3.139 242 H SER 32 H SER 32 8.081 0.787 0.117 243 HA SER 32 HA SER 32 10.403 1.035 0.471 244 1HB SER 32 2HB SER 32 10.913 0.133 -1.569 245 2HB SER 32 1HB SER 32 9.834 1.227 -2.431 246 HG SER 32 HG SER 32 11.405 2.650 -2.610 247 HA PRO 33 HA PRO 33 10.588 5.444 1.183 248 1HB PRO 33 2HB PRO 33 12.696 5.364 2.921 249 2HB PRO 33 1HB PRO 33 11.039 4.945 3.395 250 1HG PRO 33 2HG PRO 33 13.337 3.172 2.782 251 2HG PRO 33 1HG PRO 33 12.036 2.969 3.963 252 1HD PRO 33 2HD PRO 33 12.153 1.688 1.524 253 2HD PRO 33 1HD PRO 33 10.664 1.955 2.458 254 H PHE 34 H PHE 34 11.570 4.818 -1.266 255 HA PHE 34 HA PHE 34 13.220 5.408 -2.854 256 1HB PHE 34 2HB PHE 34 13.712 7.246 -0.504 257 2HB PHE 34 1HB PHE 34 14.630 7.393 -2.003 258 HD1 PHE 34 1HD PHE 34 13.630 8.272 -4.007 259 HD2 PHE 34 2HD PHE 34 11.240 7.544 -0.514 260 HE1 PHE 34 1HE PHE 34 11.753 9.527 -5.031 261 HE2 PHE 34 2HE PHE 34 9.362 8.799 -1.537 262 HZ PHE 34 HZ PHE 34 9.619 9.790 -3.795 Start of MODEL 12 1 1H GLU 1 1HT GLU 1 -8.114 3.533 -3.077 2 2H GLU 1 2HT GLU 1 -9.261 4.390 -3.992 3 3H GLU 1 3HT GLU 1 -9.729 3.600 -2.564 4 HA GLU 1 HA GLU 1 -8.473 6.194 -2.910 5 1HB GLU 1 2HB GLU 1 -9.959 4.957 -0.585 6 2HB GLU 1 1HB GLU 1 -9.908 6.654 -1.063 7 1HG GLU 1 2HG GLU 1 -10.867 5.177 -3.299 8 2HG GLU 1 1HG GLU 1 -11.767 4.630 -1.883 9 H CYS 2 H CYS 2 -7.728 6.885 -0.431 10 HA CYS 2 HA CYS 2 -5.171 5.560 -0.059 11 1HB CYS 2 2HB CYS 2 -6.020 8.030 0.342 12 2HB CYS 2 1HB CYS 2 -6.458 7.408 1.935 13 H GLY 3 H GLY 3 -5.332 3.451 0.719 14 1HA GLY 3 2HA GLY 3 -7.157 2.940 3.014 15 2HA GLY 3 1HA GLY 3 -6.423 1.696 2.001 16 H LYS 4 H LYS 4 -6.199 1.424 4.723 17 HA LYS 4 HA LYS 4 -3.590 2.524 5.589 18 1HB LYS 4 2HB LYS 4 -5.972 1.182 6.746 19 2HB LYS 4 1HB LYS 4 -4.441 0.847 7.554 20 1HG LYS 4 2HG LYS 4 -5.456 3.631 6.918 21 2HG LYS 4 1HG LYS 4 -5.627 2.846 8.488 22 1HD LYS 4 2HD LYS 4 -3.577 3.610 9.021 23 2HD LYS 4 1HD LYS 4 -2.916 2.542 7.781 24 1HE LYS 4 2HE LYS 4 -3.428 4.381 6.087 25 2HE LYS 4 1HE LYS 4 -3.739 5.443 7.474 26 1HZ LYS 4 1HZ LYS 4 -1.290 3.794 7.316 27 2HZ LYS 4 2HZ LYS 4 -1.582 5.166 8.274 28 3HZ LYS 4 3HZ LYS 4 -1.353 5.330 6.599 29 H PHE 5 H PHE 5 -1.789 1.144 6.117 30 HA PHE 5 HA PHE 5 -0.965 -0.848 4.427 31 1HB PHE 5 2HB PHE 5 0.331 0.190 6.279 32 2HB PHE 5 1HB PHE 5 -0.581 -0.780 7.436 33 HD1 PHE 5 1HD PHE 5 1.453 -1.215 4.296 34 HD2 PHE 5 2HD PHE 5 0.302 -2.836 8.106 35 HE1 PHE 5 1HE PHE 5 3.058 -3.082 3.995 36 HE2 PHE 5 2HE PHE 5 1.903 -4.699 7.794 37 HZ PHE 5 HZ PHE 5 3.281 -4.818 5.737 38 H MET 6 H MET 6 -1.154 -3.120 4.346 39 HA MET 6 HA MET 6 -2.050 -5.255 4.787 40 1HB MET 6 2HB MET 6 -3.612 -4.008 7.048 41 2HB MET 6 1HB MET 6 -3.055 -5.671 6.892 42 1HG MET 6 2HG MET 6 -0.673 -4.537 6.797 43 2HG MET 6 1HG MET 6 -1.499 -3.225 7.637 44 1HE MET 6 1HE MET 6 0.321 -5.997 7.521 45 2HE MET 6 2HE MET 6 -0.324 -7.296 8.520 46 3HE MET 6 3HE MET 6 0.786 -6.123 9.223 47 H TRP 7 H TRP 7 -3.804 -2.430 4.113 48 HA TRP 7 HA TRP 7 -6.484 -3.421 3.980 49 1HB TRP 7 2HB TRP 7 -4.877 -1.179 2.883 50 2HB TRP 7 1HB TRP 7 -6.332 -1.586 1.983 51 HD1 TRP 7 HD TRP 7 -5.814 -1.681 5.813 52 HE1 TRP 7 1HE TRP 7 -7.623 -0.166 6.879 53 HE3 TRP 7 3HE TRP 7 -7.985 0.183 1.611 54 HZ2 TRP 7 2HZ TRP 7 -9.688 1.588 6.060 55 HZ3 TRP 7 3HZ TRP 7 -9.880 1.785 1.766 56 HH2 TRP 7 HH TRP 7 -10.736 2.492 3.986 57 H LYS 8 H LYS 8 -7.329 -4.930 2.606 58 HA LYS 8 HA LYS 8 -5.879 -6.420 0.705 59 1HB LYS 8 2HB LYS 8 -8.665 -5.955 1.520 60 2HB LYS 8 1HB LYS 8 -8.514 -6.437 -0.170 61 1HG LYS 8 2HG LYS 8 -7.000 -7.925 1.963 62 2HG LYS 8 1HG LYS 8 -8.696 -8.300 1.658 63 1HD LYS 8 2HD LYS 8 -8.243 -9.306 -0.326 64 2HD LYS 8 1HD LYS 8 -7.056 -8.082 -0.779 65 1HE LYS 8 2HE LYS 8 -5.399 -9.527 -0.235 66 2HE LYS 8 1HE LYS 8 -5.992 -9.550 1.438 67 1HZ LYS 8 1HZ LYS 8 -6.235 -11.745 0.707 68 2HZ LYS 8 2HZ LYS 8 -6.812 -11.277 -0.822 69 3HZ LYS 8 3HZ LYS 8 -7.790 -11.087 0.555 70 H CYS 9 H CYS 9 -5.644 -6.182 -1.585 71 HA CYS 9 HA CYS 9 -6.640 -3.620 -2.756 72 1HB CYS 9 2HB CYS 9 -4.293 -3.419 -3.710 73 2HB CYS 9 1HB CYS 9 -4.408 -3.213 -1.961 74 H LYS 10 H LYS 10 -5.960 -3.645 -5.199 75 HA LYS 10 HA LYS 10 -6.526 -6.367 -6.333 76 1HB LYS 10 2HB LYS 10 -7.806 -5.178 -8.035 77 2HB LYS 10 1HB LYS 10 -8.352 -4.634 -6.448 78 1HG LYS 10 2HG LYS 10 -6.489 -2.795 -6.757 79 2HG LYS 10 1HG LYS 10 -6.669 -3.182 -8.468 80 1HD LYS 10 2HD LYS 10 -9.293 -2.993 -7.581 81 2HD LYS 10 1HD LYS 10 -8.470 -1.706 -6.698 82 1HE LYS 10 2HE LYS 10 -7.386 -1.256 -9.108 83 2HE LYS 10 1HE LYS 10 -8.913 -1.991 -9.636 84 1HZ LYS 10 1HZ LYS 10 -8.532 0.352 -7.863 85 2HZ LYS 10 2HZ LYS 10 -10.000 -0.500 -7.925 86 3HZ LYS 10 3HZ LYS 10 -9.404 0.273 -9.316 87 H ASN 11 H ASN 11 -4.726 -3.362 -6.560 88 HA ASN 11 HA ASN 11 -2.577 -4.633 -8.068 89 1HB ASN 11 2HB ASN 11 -4.780 -3.641 -9.480 90 2HB ASN 11 1HB ASN 11 -3.559 -2.377 -9.631 91 1HD2 ASN 11 1HD2 ASN 11 -1.632 -2.854 -10.846 92 2HD2 ASN 11 2HD2 ASN 11 -1.442 -4.293 -11.726 93 H SER 12 H SER 12 -4.094 -1.597 -7.017 94 HA SER 12 HA SER 12 -2.004 -0.614 -5.455 95 1HB SER 12 2HB SER 12 -1.407 -0.652 -8.268 96 2HB SER 12 1HB SER 12 -1.447 1.014 -7.708 97 HG SER 12 HG SER 12 0.088 -1.147 -6.696 98 H ASN 13 H ASN 13 -4.709 0.021 -7.538 99 HA ASN 13 HA ASN 13 -4.988 2.847 -7.125 100 1HB ASN 13 2HB ASN 13 -6.570 0.536 -8.099 101 2HB ASN 13 1HB ASN 13 -7.510 1.931 -7.565 102 1HD2 ASN 13 1HD2 ASN 13 -7.969 1.914 -10.067 103 2HD2 ASN 13 2HD2 ASN 13 -6.900 2.814 -11.030 104 H ASP 14 H ASP 14 -5.191 0.361 -4.855 105 HA ASP 14 HA ASP 14 -7.178 1.888 -3.204 106 1HB ASP 14 2HB ASP 14 -7.266 -0.686 -3.992 107 2HB ASP 14 1HB ASP 14 -6.320 -0.881 -2.516 108 H CYS 15 H CYS 15 -3.857 1.215 -3.497 109 HA CYS 15 HA CYS 15 -3.238 1.152 -0.636 110 1HB CYS 15 2HB CYS 15 -1.550 1.490 -3.131 111 2HB CYS 15 1HB CYS 15 -0.935 1.105 -1.522 112 H CYS 16 H CYS 16 -2.741 2.877 0.627 113 HA CYS 16 HA CYS 16 -3.306 5.566 -0.046 114 1HB CYS 16 2HB CYS 16 -2.044 4.010 2.097 115 2HB CYS 16 1HB CYS 16 -1.410 5.649 1.965 116 H LYS 17 H LYS 17 -1.615 7.373 -0.077 117 HA LYS 17 HA LYS 17 0.147 7.189 -2.235 118 1HB LYS 17 2HB LYS 17 -0.744 9.176 -0.817 119 2HB LYS 17 1HB LYS 17 0.668 8.889 0.198 120 1HG LYS 17 2HG LYS 17 1.878 8.864 -2.201 121 2HG LYS 17 1HG LYS 17 0.518 9.917 -2.593 122 1HD LYS 17 2HD LYS 17 1.339 10.894 -0.146 123 2HD LYS 17 1HD LYS 17 2.865 10.446 -0.911 124 1HE LYS 17 2HE LYS 17 2.482 12.679 -1.649 125 2HE LYS 17 1HE LYS 17 1.920 11.683 -3.006 126 1HZ LYS 17 1HZ LYS 17 0.173 13.183 -2.516 127 2HZ LYS 17 2HZ LYS 17 0.283 12.889 -0.846 128 3HZ LYS 17 3HZ LYS 17 -0.306 11.683 -1.888 129 H ASP 18 H ASP 18 2.398 6.710 -2.384 130 HA ASP 18 HA ASP 18 4.444 5.698 -1.766 131 1HB ASP 18 2HB ASP 18 3.515 6.193 1.075 132 2HB ASP 18 1HB ASP 18 5.169 6.152 0.469 133 H LEU 19 H LEU 19 1.518 4.391 -1.450 134 HA LEU 19 HA LEU 19 2.546 1.853 -0.229 135 1HB LEU 19 2HB LEU 19 0.687 3.393 0.899 136 2HB LEU 19 1HB LEU 19 -0.366 2.584 -0.262 137 HG LEU 19 HG LEU 19 0.532 0.379 0.587 138 1HD1 LEU 19 1HD1 LEU 19 1.547 2.007 2.921 139 2HD1 LEU 19 2HD1 LEU 19 2.594 1.534 1.588 140 3HD1 LEU 19 3HD1 LEU 19 1.827 0.300 2.581 141 1HD2 LEU 19 1HD2 LEU 19 -0.630 1.905 2.900 142 2HD2 LEU 19 2HD2 LEU 19 -1.013 0.279 2.336 143 3HD2 LEU 19 3HD2 LEU 19 -1.583 1.682 1.433 144 H VAL 20 H VAL 20 2.103 -0.038 -1.425 145 HA VAL 20 HA VAL 20 0.421 0.245 -3.881 146 HB VAL 20 HB VAL 20 2.331 -1.005 -5.052 147 1HG1 VAL 20 1HG1 VAL 20 3.012 1.013 -5.835 148 2HG1 VAL 20 2HG1 VAL 20 3.527 1.556 -4.238 149 3HG1 VAL 20 3HG1 VAL 20 1.833 1.685 -4.710 150 1HG2 VAL 20 1HG2 VAL 20 3.522 -1.774 -3.071 151 2HG2 VAL 20 2HG2 VAL 20 3.727 -0.116 -2.509 152 3HG2 VAL 20 3HG2 VAL 20 4.566 -0.664 -3.959 153 H CYS 21 H CYS 21 -0.499 -1.747 -4.579 154 HA CYS 21 HA CYS 21 -1.032 -3.722 -2.569 155 1HB CYS 21 2HB CYS 21 -2.468 -3.107 -4.510 156 2HB CYS 21 1HB CYS 21 -1.284 -3.837 -5.593 157 H SER 22 H SER 22 -0.034 -5.737 -2.184 158 HA SER 22 HA SER 22 2.132 -6.571 -4.065 159 1HB SER 22 2HB SER 22 2.666 -5.144 -1.835 160 2HB SER 22 1HB SER 22 2.660 -6.765 -1.148 161 HG SER 22 HG SER 22 4.277 -5.685 -3.192 162 H SER 23 H SER 23 1.869 -8.693 -4.535 163 HA SER 23 HA SER 23 -0.031 -10.373 -3.196 164 1HB SER 23 2HB SER 23 1.562 -10.304 -5.564 165 2HB SER 23 1HB SER 23 1.850 -11.849 -4.767 166 HG SER 23 HG SER 23 -0.328 -12.260 -4.816 167 H ARG 24 H ARG 24 3.371 -9.743 -2.791 168 HA ARG 24 HA ARG 24 3.965 -12.198 -1.320 169 1HB ARG 24 2HB ARG 24 5.387 -10.292 -2.668 170 2HB ARG 24 1HB ARG 24 5.645 -9.776 -1.001 171 1HG ARG 24 2HG ARG 24 6.505 -11.957 -0.393 172 2HG ARG 24 1HG ARG 24 6.083 -12.612 -1.975 173 1HD ARG 24 2HD ARG 24 8.359 -12.146 -2.276 174 2HD ARG 24 1HD ARG 24 7.636 -10.625 -2.839 175 HE ARG 24 HE ARG 24 7.978 -9.770 -0.476 176 1HH1 ARG 24 1HH1 ARG 24 10.297 -11.428 -2.217 177 2HH1 ARG 24 2HH1 ARG 24 11.369 -11.700 -0.885 178 1HH2 ARG 24 1HH2 ARG 24 9.120 -10.569 1.499 179 2HH2 ARG 24 2HH2 ARG 24 10.703 -11.213 1.218 180 H TRP 25 H TRP 25 3.019 -8.883 -0.576 181 HA TRP 25 HA TRP 25 3.191 -9.416 2.344 182 1HB TRP 25 2HB TRP 25 2.570 -6.938 0.702 183 2HB TRP 25 1HB TRP 25 2.723 -6.965 2.459 184 HD1 TRP 25 HD TRP 25 4.731 -6.582 -0.624 185 HE1 TRP 25 1HE TRP 25 7.249 -6.638 -0.080 186 HE3 TRP 25 3HE TRP 25 4.579 -8.267 4.203 187 HZ2 TRP 25 2HZ TRP 25 8.951 -7.292 2.060 188 HZ3 TRP 25 3HZ TRP 25 6.687 -8.599 5.471 189 HH2 TRP 25 HH TRP 25 8.876 -8.113 4.407 190 H LYS 26 H LYS 26 0.975 -9.612 -0.215 191 HA LYS 26 HA LYS 26 -1.313 -10.126 -0.255 192 1HB LYS 26 2HB LYS 26 -1.881 -11.497 1.483 193 2HB LYS 26 1HB LYS 26 -0.202 -11.270 1.957 194 1HG LYS 26 2HG LYS 26 -1.474 -9.065 3.075 195 2HG LYS 26 1HG LYS 26 -2.652 -10.354 3.279 196 1HD LYS 26 2HD LYS 26 0.138 -10.133 4.378 197 2HD LYS 26 1HD LYS 26 -1.357 -10.543 5.213 198 1HE LYS 26 2HE LYS 26 -1.235 -12.613 3.449 199 2HE LYS 26 1HE LYS 26 0.494 -12.308 3.712 200 1HZ LYS 26 1HZ LYS 26 -1.533 -12.556 5.871 201 2HZ LYS 26 2HZ LYS 26 0.139 -12.337 6.081 202 3HZ LYS 26 3HZ LYS 26 -0.455 -13.785 5.418 203 H TRP 27 H TRP 27 -0.384 -7.271 0.106 204 HA TRP 27 HA TRP 27 -2.912 -6.015 0.365 205 1HB TRP 27 2HB TRP 27 -2.613 -5.009 2.646 206 2HB TRP 27 1HB TRP 27 -2.830 -6.751 2.690 207 HD1 TRP 27 HD TRP 27 0.383 -4.679 2.064 208 HE1 TRP 27 1HE TRP 27 2.179 -5.451 3.733 209 HE3 TRP 27 3HE TRP 27 -2.317 -8.039 4.790 210 HZ2 TRP 27 2HZ TRP 27 2.446 -7.205 5.921 211 HZ3 TRP 27 3HZ TRP 27 -1.261 -9.238 6.686 212 HH2 TRP 27 HH TRP 27 1.118 -8.827 7.258 213 H CYS 28 H CYS 28 -2.452 -3.528 1.138 214 HA CYS 28 HA CYS 28 -0.523 -2.482 -0.766 215 1HB CYS 28 2HB CYS 28 -2.242 -1.329 1.449 216 2HB CYS 28 1HB CYS 28 -1.254 -0.318 0.390 217 H VAL 29 H VAL 29 1.652 -2.191 -0.376 218 HA VAL 29 HA VAL 29 2.565 -2.265 2.471 219 HB VAL 29 HB VAL 29 4.623 -3.215 1.526 220 1HG1 VAL 29 1HG1 VAL 29 2.968 -4.852 2.042 221 2HG1 VAL 29 2HG1 VAL 29 3.525 -5.259 0.420 222 3HG1 VAL 29 3HG1 VAL 29 1.993 -4.416 0.639 223 1HG2 VAL 29 1HG2 VAL 29 5.107 -2.544 -0.588 224 2HG2 VAL 29 2HG2 VAL 29 3.424 -2.152 -0.933 225 3HG2 VAL 29 3HG2 VAL 29 3.997 -3.810 -1.110 226 H LEU 30 H LEU 30 4.426 -0.937 3.026 227 HA LEU 30 HA LEU 30 4.264 1.777 2.104 228 1HB LEU 30 2HB LEU 30 6.429 0.326 3.650 229 2HB LEU 30 1HB LEU 30 6.158 2.069 3.635 230 HG LEU 30 HG LEU 30 4.134 0.015 4.587 231 1HD1 LEU 30 1HD1 LEU 30 6.411 1.263 5.894 232 2HD1 LEU 30 2HD1 LEU 30 5.330 0.008 6.498 233 3HD1 LEU 30 3HD1 LEU 30 4.901 1.708 6.690 234 1HD2 LEU 30 1HD2 LEU 30 3.744 2.716 5.521 235 2HD2 LEU 30 2HD2 LEU 30 2.652 1.716 4.564 236 3HD2 LEU 30 3HD2 LEU 30 3.859 2.719 3.761 237 H ALA 31 H ALA 31 4.611 0.534 -0.275 238 HA ALA 31 HA ALA 31 6.108 0.125 -2.091 239 1HB ALA 31 1HB ALA 31 7.372 2.436 -2.348 240 2HB ALA 31 2HB ALA 31 6.379 2.894 -0.965 241 3HB ALA 31 3HB ALA 31 5.614 2.376 -2.467 242 H SER 32 H SER 32 7.192 -1.161 0.141 243 HA SER 32 HA SER 32 10.085 -0.922 -0.466 244 1HB SER 32 2HB SER 32 9.941 0.655 1.295 245 2HB SER 32 1HB SER 32 8.761 -0.312 2.177 246 HG SER 32 HG SER 32 10.556 -0.850 3.205 247 HA PRO 33 HA PRO 33 9.223 -5.272 0.171 248 1HB PRO 33 2HB PRO 33 11.516 -6.178 -1.006 249 2HB PRO 33 1HB PRO 33 10.105 -5.633 -1.934 250 1HG PRO 33 2HG PRO 33 12.673 -4.260 -1.424 251 2HG PRO 33 1HG PRO 33 11.598 -4.167 -2.824 252 1HD PRO 33 2HD PRO 33 11.794 -2.270 -0.794 253 2HD PRO 33 1HD PRO 33 10.464 -2.408 -1.961 254 H PHE 34 H PHE 34 9.495 -5.343 2.467 255 HA PHE 34 HA PHE 34 12.060 -5.012 3.774 256 1HB PHE 34 2HB PHE 34 9.279 -5.873 4.435 257 2HB PHE 34 1HB PHE 34 10.552 -6.327 5.567 258 HD1 PHE 34 1HD PHE 34 9.162 -3.391 3.708 259 HD2 PHE 34 2HD PHE 34 11.391 -4.768 7.112 260 HE1 PHE 34 1HE PHE 34 9.173 -1.089 4.630 261 HE2 PHE 34 2HE PHE 34 11.401 -2.468 8.036 262 HZ PHE 34 HZ PHE 34 10.293 -0.627 6.796 Start of MODEL 13 1 1H GLU 1 1HT GLU 1 -8.851 2.465 -2.554 2 2H GLU 1 2HT GLU 1 -10.269 3.080 -3.261 3 3H GLU 1 3HT GLU 1 -10.208 2.785 -1.589 4 HA GLU 1 HA GLU 1 -8.840 4.932 -3.116 5 1HB GLU 1 2HB GLU 1 -10.456 5.100 -0.579 6 2HB GLU 1 1HB GLU 1 -10.237 6.323 -1.829 7 1HG GLU 1 2HG GLU 1 -11.778 3.734 -2.184 8 2HG GLU 1 1HG GLU 1 -12.508 5.315 -1.901 9 H CYS 2 H CYS 2 -7.756 6.444 -1.349 10 HA CYS 2 HA CYS 2 -5.461 5.230 -0.283 11 1HB CYS 2 2HB CYS 2 -6.270 7.713 -0.597 12 2HB CYS 2 1HB CYS 2 -6.827 7.548 1.066 13 H GLY 3 H GLY 3 -5.567 3.472 1.112 14 1HA GLY 3 2HA GLY 3 -7.423 3.716 3.449 15 2HA GLY 3 1HA GLY 3 -6.990 2.170 2.718 16 H LYS 4 H LYS 4 -6.029 1.278 4.567 17 HA LYS 4 HA LYS 4 -3.562 2.673 5.560 18 1HB LYS 4 2HB LYS 4 -5.748 2.255 6.993 19 2HB LYS 4 1HB LYS 4 -5.098 0.621 7.125 20 1HG LYS 4 2HG LYS 4 -3.306 2.969 7.659 21 2HG LYS 4 1HG LYS 4 -4.424 2.424 8.910 22 1HD LYS 4 2HD LYS 4 -3.441 0.042 8.288 23 2HD LYS 4 1HD LYS 4 -2.074 1.001 7.722 24 1HE LYS 4 2HE LYS 4 -1.774 2.001 9.906 25 2HE LYS 4 1HE LYS 4 -3.280 1.270 10.495 26 1HZ LYS 4 1HZ LYS 4 -1.727 -0.273 11.166 27 2HZ LYS 4 2HZ LYS 4 -0.731 -0.034 9.809 28 3HZ LYS 4 3HZ LYS 4 -2.183 -0.905 9.658 29 H PHE 5 H PHE 5 -1.708 1.331 5.893 30 HA PHE 5 HA PHE 5 -1.041 -0.656 4.114 31 1HB PHE 5 2HB PHE 5 0.540 0.351 5.649 32 2HB PHE 5 1HB PHE 5 -0.300 -0.341 7.036 33 HD1 PHE 5 1HD PHE 5 -0.192 -2.768 7.498 34 HD2 PHE 5 2HD PHE 5 2.001 -0.998 4.257 35 HE1 PHE 5 1HE PHE 5 1.195 -4.814 7.318 36 HE2 PHE 5 2HE PHE 5 3.392 -3.043 4.084 37 HZ PHE 5 HZ PHE 5 2.987 -4.949 5.608 38 H MET 6 H MET 6 -1.003 -2.995 4.230 39 HA MET 6 HA MET 6 -1.782 -5.139 4.846 40 1HB MET 6 2HB MET 6 -1.651 -3.841 7.179 41 2HB MET 6 1HB MET 6 -3.403 -3.998 7.077 42 1HG MET 6 2HG MET 6 -3.295 -6.366 7.008 43 2HG MET 6 1HG MET 6 -1.573 -6.355 6.629 44 1HE MET 6 1HE MET 6 0.066 -6.391 7.765 45 2HE MET 6 2HE MET 6 0.174 -6.897 9.449 46 3HE MET 6 3HE MET 6 0.312 -5.189 9.040 47 H TRP 7 H TRP 7 -3.671 -2.485 4.000 48 HA TRP 7 HA TRP 7 -6.320 -3.618 4.116 49 1HB TRP 7 2HB TRP 7 -4.900 -1.315 2.888 50 2HB TRP 7 1HB TRP 7 -6.401 -1.795 2.108 51 HD1 TRP 7 HD TRP 7 -5.596 -1.867 5.881 52 HE1 TRP 7 1HE TRP 7 -7.361 -0.400 7.083 53 HE3 TRP 7 3HE TRP 7 -8.123 -0.057 1.858 54 HZ2 TRP 7 2HZ TRP 7 -9.531 1.296 6.424 55 HZ3 TRP 7 3HZ TRP 7 -10.044 1.490 2.157 56 HH2 TRP 7 HH TRP 7 -10.753 2.171 4.436 57 H LYS 8 H LYS 8 -7.253 -5.100 2.732 58 HA LYS 8 HA LYS 8 -5.883 -6.614 0.807 59 1HB LYS 8 2HB LYS 8 -8.639 -6.037 1.622 60 2HB LYS 8 1HB LYS 8 -8.518 -6.450 -0.089 61 1HG LYS 8 2HG LYS 8 -7.699 -8.583 0.341 62 2HG LYS 8 1HG LYS 8 -7.050 -8.127 1.919 63 1HD LYS 8 2HD LYS 8 -9.822 -7.666 2.089 64 2HD LYS 8 1HD LYS 8 -9.655 -9.218 1.268 65 1HE LYS 8 2HE LYS 8 -7.816 -8.902 3.550 66 2HE LYS 8 1HE LYS 8 -9.534 -8.897 4.001 67 1HZ LYS 8 1HZ LYS 8 -8.726 -10.811 1.960 68 2HZ LYS 8 2HZ LYS 8 -9.853 -10.980 3.222 69 3HZ LYS 8 3HZ LYS 8 -8.190 -11.136 3.536 70 H CYS 9 H CYS 9 -5.552 -6.313 -1.467 71 HA CYS 9 HA CYS 9 -6.466 -3.695 -2.590 72 1HB CYS 9 2HB CYS 9 -4.099 -3.529 -3.489 73 2HB CYS 9 1HB CYS 9 -4.245 -3.373 -1.738 74 H LYS 10 H LYS 10 -5.832 -3.630 -5.005 75 HA LYS 10 HA LYS 10 -6.368 -6.299 -6.271 76 1HB LYS 10 2HB LYS 10 -7.674 -5.063 -7.895 77 2HB LYS 10 1HB LYS 10 -8.181 -4.516 -6.296 78 1HG LYS 10 2HG LYS 10 -6.601 -2.596 -6.488 79 2HG LYS 10 1HG LYS 10 -6.207 -3.117 -8.128 80 1HD LYS 10 2HD LYS 10 -8.342 -2.596 -8.946 81 2HD LYS 10 1HD LYS 10 -9.075 -2.652 -7.341 82 1HE LYS 10 2HE LYS 10 -8.872 -0.386 -7.329 83 2HE LYS 10 1HE LYS 10 -7.127 -0.649 -7.131 84 1HZ LYS 10 1HZ LYS 10 -8.291 -0.923 -9.809 85 2HZ LYS 10 2HZ LYS 10 -6.733 -0.420 -9.353 86 3HZ LYS 10 3HZ LYS 10 -8.050 0.643 -9.202 87 H ASN 11 H ASN 11 -4.572 -3.288 -6.323 88 HA ASN 11 HA ASN 11 -2.392 -4.469 -7.850 89 1HB ASN 11 2HB ASN 11 -4.370 -3.806 -9.443 90 2HB ASN 11 1HB ASN 11 -3.795 -2.161 -9.176 91 1HD2 ASN 11 1HD2 ASN 11 -3.564 -4.395 -11.477 92 2HD2 ASN 11 2HD2 ASN 11 -1.948 -4.211 -11.964 93 H SER 12 H SER 12 -3.946 -1.419 -6.852 94 HA SER 12 HA SER 12 -1.913 -0.553 -5.122 95 1HB SER 12 2HB SER 12 -1.125 -0.556 -7.833 96 2HB SER 12 1HB SER 12 -1.381 1.133 -7.409 97 HG SER 12 HG SER 12 0.715 -0.260 -6.869 98 H ASN 13 H ASN 13 -4.373 0.328 -7.469 99 HA ASN 13 HA ASN 13 -4.798 3.050 -6.812 100 1HB ASN 13 2HB ASN 13 -5.862 1.234 -8.509 101 2HB ASN 13 1HB ASN 13 -7.145 1.287 -7.300 102 1HD2 ASN 13 1HD2 ASN 13 -5.383 3.247 -9.683 103 2HD2 ASN 13 2HD2 ASN 13 -6.482 4.541 -9.683 104 H ASP 14 H ASP 14 -5.421 0.184 -4.960 105 HA ASP 14 HA ASP 14 -7.364 1.512 -3.164 106 1HB ASP 14 2HB ASP 14 -6.871 -1.071 -4.034 107 2HB ASP 14 1HB ASP 14 -6.211 -1.081 -2.398 108 H CYS 15 H CYS 15 -3.955 1.064 -3.411 109 HA CYS 15 HA CYS 15 -3.412 1.212 -0.535 110 1HB CYS 15 2HB CYS 15 -1.666 1.434 -3.006 111 2HB CYS 15 1HB CYS 15 -1.087 1.165 -1.361 112 H CYS 16 H CYS 16 -2.622 3.009 0.563 113 HA CYS 16 HA CYS 16 -3.364 5.637 -0.390 114 1HB CYS 16 2HB CYS 16 -2.260 4.314 1.994 115 2HB CYS 16 1HB CYS 16 -1.686 5.965 1.769 116 H LYS 17 H LYS 17 -1.726 7.461 -0.494 117 HA LYS 17 HA LYS 17 0.196 7.201 -2.460 118 1HB LYS 17 2HB LYS 17 -0.519 9.334 -1.543 119 2HB LYS 17 1HB LYS 17 0.177 8.936 0.028 120 1HG LYS 17 2HG LYS 17 2.424 8.901 -0.939 121 2HG LYS 17 1HG LYS 17 1.760 9.208 -2.543 122 1HD LYS 17 2HD LYS 17 1.348 11.082 -0.201 123 2HD LYS 17 1HD LYS 17 2.670 11.256 -1.357 124 1HE LYS 17 2HE LYS 17 1.274 11.945 -3.057 125 2HE LYS 17 1HE LYS 17 -0.081 10.951 -2.484 126 1HZ LYS 17 1HZ LYS 17 -0.310 13.406 -2.070 127 2HZ LYS 17 2HZ LYS 17 0.975 13.271 -0.966 128 3HZ LYS 17 3HZ LYS 17 -0.474 12.423 -0.698 129 H ASP 18 H ASP 18 2.513 6.837 -2.426 130 HA ASP 18 HA ASP 18 4.463 5.696 -1.718 131 1HB ASP 18 2HB ASP 18 3.258 6.997 0.698 132 2HB ASP 18 1HB ASP 18 4.614 5.894 0.936 133 H LEU 19 H LEU 19 1.823 4.269 -1.923 134 HA LEU 19 HA LEU 19 2.594 1.858 -0.347 135 1HB LEU 19 2HB LEU 19 0.737 3.548 0.606 136 2HB LEU 19 1HB LEU 19 -0.291 2.629 -0.492 137 HG LEU 19 HG LEU 19 0.558 0.515 0.585 138 1HD1 LEU 19 1HD1 LEU 19 1.966 0.567 2.448 139 2HD1 LEU 19 2HD1 LEU 19 1.535 2.226 2.856 140 3HD1 LEU 19 3HD1 LEU 19 2.620 1.905 1.504 141 1HD2 LEU 19 1HD2 LEU 19 -1.586 1.514 1.263 142 2HD2 LEU 19 2HD2 LEU 19 -0.750 2.553 2.417 143 3HD2 LEU 19 3HD2 LEU 19 -0.769 0.807 2.657 144 H VAL 20 H VAL 20 2.102 -0.065 -1.460 145 HA VAL 20 HA VAL 20 0.439 0.126 -3.926 146 HB VAL 20 HB VAL 20 2.321 -1.070 -5.130 147 1HG1 VAL 20 1HG1 VAL 20 3.141 1.623 -4.018 148 2HG1 VAL 20 2HG1 VAL 20 1.872 1.430 -5.227 149 3HG1 VAL 20 3HG1 VAL 20 3.526 0.950 -5.602 150 1HG2 VAL 20 1HG2 VAL 20 3.987 -1.871 -3.839 151 2HG2 VAL 20 2HG2 VAL 20 3.409 -0.966 -2.440 152 3HG2 VAL 20 3HG2 VAL 20 4.507 -0.204 -3.592 153 H CYS 21 H CYS 21 -0.507 -1.865 -4.502 154 HA CYS 21 HA CYS 21 -0.921 -3.814 -2.444 155 1HB CYS 21 2HB CYS 21 -2.453 -3.273 -4.319 156 2HB CYS 21 1HB CYS 21 -1.293 -3.956 -5.455 157 H SER 22 H SER 22 0.004 -5.937 -2.209 158 HA SER 22 HA SER 22 2.207 -6.646 -4.091 159 1HB SER 22 2HB SER 22 2.514 -5.476 -1.535 160 2HB SER 22 1HB SER 22 2.971 -7.169 -1.366 161 HG SER 22 HG SER 22 4.500 -6.912 -2.916 162 H SER 23 H SER 23 2.121 -8.779 -4.583 163 HA SER 23 HA SER 23 0.151 -10.530 -3.466 164 1HB SER 23 2HB SER 23 1.962 -10.390 -5.658 165 2HB SER 23 1HB SER 23 2.262 -11.917 -4.833 166 HG SER 23 HG SER 23 -0.216 -10.917 -5.797 167 H ARG 24 H ARG 24 3.477 -9.813 -2.714 168 HA ARG 24 HA ARG 24 3.970 -12.243 -1.155 169 1HB ARG 24 2HB ARG 24 5.525 -10.411 -2.380 170 2HB ARG 24 1HB ARG 24 5.501 -9.706 -0.764 171 1HG ARG 24 2HG ARG 24 6.157 -12.615 -1.279 172 2HG ARG 24 1HG ARG 24 7.387 -11.354 -1.189 173 1HD ARG 24 2HD ARG 24 5.779 -10.926 1.076 174 2HD ARG 24 1HD ARG 24 5.997 -12.686 0.989 175 HE ARG 24 HE ARG 24 8.257 -10.723 0.968 176 1HH1 ARG 24 1HH1 ARG 24 6.945 -13.091 2.843 177 2HH1 ARG 24 2HH1 ARG 24 8.355 -14.093 2.928 178 1HH2 ARG 24 1HH2 ARG 24 10.074 -12.337 0.481 179 2HH2 ARG 24 2HH2 ARG 24 10.126 -13.668 1.589 180 H TRP 25 H TRP 25 2.854 -8.960 -0.623 181 HA TRP 25 HA TRP 25 2.574 -9.491 2.301 182 1HB TRP 25 2HB TRP 25 2.330 -6.911 0.730 183 2HB TRP 25 1HB TRP 25 2.482 -7.083 2.473 184 HD1 TRP 25 HD TRP 25 4.537 -6.511 -0.499 185 HE1 TRP 25 1HE TRP 25 7.031 -6.895 0.017 186 HE3 TRP 25 3HE TRP 25 4.168 -8.868 4.020 187 HZ2 TRP 25 2HZ TRP 25 8.638 -8.024 2.033 188 HZ3 TRP 25 3HZ TRP 25 6.216 -9.588 5.220 189 HH2 TRP 25 HH TRP 25 8.455 -9.170 4.234 190 H LYS 26 H LYS 26 0.845 -9.886 -0.440 191 HA LYS 26 HA LYS 26 -1.423 -9.774 -1.047 192 1HB LYS 26 2HB LYS 26 -2.776 -10.965 0.714 193 2HB LYS 26 1HB LYS 26 -1.287 -11.778 0.266 194 1HG LYS 26 2HG LYS 26 -1.341 -11.899 2.619 195 2HG LYS 26 1HG LYS 26 -0.227 -10.596 2.296 196 1HD LYS 26 2HD LYS 26 -1.855 -10.066 4.098 197 2HD LYS 26 1HD LYS 26 -1.958 -8.938 2.749 198 1HE LYS 26 2HE LYS 26 -4.210 -9.713 3.557 199 2HE LYS 26 1HE LYS 26 -3.921 -10.157 1.868 200 1HZ LYS 26 1HZ LYS 26 -3.873 -12.314 2.381 201 2HZ LYS 26 2HZ LYS 26 -4.516 -11.890 3.896 202 3HZ LYS 26 3HZ LYS 26 -2.840 -12.069 3.704 203 H TRP 27 H TRP 27 -0.464 -7.263 -0.118 204 HA TRP 27 HA TRP 27 -2.943 -5.912 0.215 205 1HB TRP 27 2HB TRP 27 -2.740 -5.188 2.581 206 2HB TRP 27 1HB TRP 27 -2.959 -6.923 2.424 207 HD1 TRP 27 HD TRP 27 0.419 -5.080 2.011 208 HE1 TRP 27 1HE TRP 27 2.017 -5.962 3.823 209 HE3 TRP 27 3HE TRP 27 -2.749 -8.058 4.657 210 HZ2 TRP 27 2HZ TRP 27 1.989 -7.657 6.064 211 HZ3 TRP 27 3HZ TRP 27 -1.937 -9.295 6.646 212 HH2 TRP 27 HH TRP 27 0.433 -9.101 7.357 213 H CYS 28 H CYS 28 -2.486 -3.528 1.112 214 HA CYS 28 HA CYS 28 -0.539 -2.369 -0.651 215 1HB CYS 28 2HB CYS 28 -2.177 -1.357 1.693 216 2HB CYS 28 1HB CYS 28 -1.250 -0.293 0.627 217 H VAL 29 H VAL 29 1.632 -2.309 -0.312 218 HA VAL 29 HA VAL 29 2.641 -2.516 2.494 219 HB VAL 29 HB VAL 29 4.779 -3.143 1.210 220 1HG1 VAL 29 1HG1 VAL 29 2.399 -4.620 1.811 221 2HG1 VAL 29 2HG1 VAL 29 4.065 -5.197 1.778 222 3HG1 VAL 29 3HG1 VAL 29 3.084 -5.250 0.313 223 1HG2 VAL 29 1HG2 VAL 29 3.752 -2.086 -0.940 224 2HG2 VAL 29 2HG2 VAL 29 2.881 -3.613 -1.086 225 3HG2 VAL 29 3HG2 VAL 29 4.645 -3.600 -1.099 226 H LEU 30 H LEU 30 4.629 -1.262 2.961 227 HA LEU 30 HA LEU 30 4.323 1.530 2.454 228 1HB LEU 30 2HB LEU 30 6.870 0.099 3.246 229 2HB LEU 30 1HB LEU 30 6.332 1.702 3.743 230 HG LEU 30 HG LEU 30 4.304 -0.213 4.452 231 1HD1 LEU 30 1HD1 LEU 30 6.882 -1.354 4.506 232 2HD1 LEU 30 2HD1 LEU 30 5.427 -1.980 5.283 233 3HD1 LEU 30 3HD1 LEU 30 6.518 -0.923 6.177 234 1HD2 LEU 30 1HD2 LEU 30 6.069 1.817 5.742 235 2HD2 LEU 30 2HD2 LEU 30 5.305 0.630 6.799 236 3HD2 LEU 30 3HD2 LEU 30 4.311 1.670 5.778 237 H ALA 31 H ALA 31 4.568 2.380 0.406 238 HA ALA 31 HA ALA 31 6.751 1.310 -1.329 239 1HB ALA 31 1HB ALA 31 5.395 1.963 -3.122 240 2HB ALA 31 2HB ALA 31 4.615 3.242 -2.190 241 3HB ALA 31 3HB ALA 31 4.184 1.556 -1.905 242 H SER 32 H SER 32 7.674 2.902 0.726 243 HA SER 32 HA SER 32 8.156 5.574 -0.557 244 1HB SER 32 2HB SER 32 7.518 4.635 2.126 245 2HB SER 32 1HB SER 32 8.976 5.624 2.123 246 HG SER 32 HG SER 32 7.646 7.239 1.991 247 HA PRO 33 HA PRO 33 12.325 4.151 -1.049 248 1HB PRO 33 2HB PRO 33 13.427 6.560 -1.739 249 2HB PRO 33 1HB PRO 33 12.447 5.592 -2.858 250 1HG PRO 33 2HG PRO 33 11.690 7.983 -1.261 251 2HG PRO 33 1HG PRO 33 11.212 7.524 -2.902 252 1HD PRO 33 2HD PRO 33 9.615 7.199 -0.705 253 2HD PRO 33 1HD PRO 33 9.500 6.197 -2.169 254 H PHE 34 H PHE 34 13.359 3.688 0.876 255 HA PHE 34 HA PHE 34 13.420 5.216 3.227 256 1HB PHE 34 2HB PHE 34 15.072 3.662 3.901 257 2HB PHE 34 1HB PHE 34 14.175 2.799 2.654 258 HD1 PHE 34 1HD PHE 34 17.339 3.141 3.776 259 HD2 PHE 34 2HD PHE 34 15.132 3.771 0.144 260 HE1 PHE 34 1HE PHE 34 19.427 2.885 2.461 261 HE2 PHE 34 2HE PHE 34 17.220 3.513 -1.169 262 HZ PHE 34 HZ PHE 34 19.368 3.071 -0.011 Start of MODEL 14 1 1H GLU 1 1HT GLU 1 -10.993 4.497 -2.562 2 2H GLU 1 2HT GLU 1 -9.855 3.562 -1.716 3 3H GLU 1 3HT GLU 1 -9.547 4.033 -3.319 4 HA GLU 1 HA GLU 1 -9.073 6.214 -2.747 5 1HB GLU 1 2HB GLU 1 -9.914 7.066 -0.510 6 2HB GLU 1 1HB GLU 1 -11.184 6.591 -1.635 7 1HG GLU 1 2HG GLU 1 -11.918 4.975 -0.246 8 2HG GLU 1 1HG GLU 1 -10.290 4.325 -0.051 9 H CYS 2 H CYS 2 -7.917 7.080 -0.441 10 HA CYS 2 HA CYS 2 -5.455 5.725 -0.247 11 1HB CYS 2 2HB CYS 2 -6.411 8.043 0.620 12 2HB CYS 2 1HB CYS 2 -6.638 7.140 2.118 13 H GLY 3 H GLY 3 -5.088 3.668 0.495 14 1HA GLY 3 2HA GLY 3 -6.910 2.598 2.606 15 2HA GLY 3 1HA GLY 3 -6.029 1.597 1.453 16 H LYS 4 H LYS 4 -6.015 1.650 4.462 17 HA LYS 4 HA LYS 4 -3.335 2.582 5.216 18 1HB LYS 4 2HB LYS 4 -5.770 2.031 6.451 19 2HB LYS 4 1HB LYS 4 -4.721 0.726 7.002 20 1HG LYS 4 2HG LYS 4 -3.230 3.170 7.072 21 2HG LYS 4 1HG LYS 4 -4.767 3.429 7.901 22 1HD LYS 4 2HD LYS 4 -3.678 0.844 8.603 23 2HD LYS 4 1HD LYS 4 -2.493 2.112 8.919 24 1HE LYS 4 2HE LYS 4 -5.013 3.115 9.788 25 2HE LYS 4 1HE LYS 4 -4.844 1.475 10.446 26 1HZ LYS 4 1HZ LYS 4 -2.597 2.040 11.163 27 2HZ LYS 4 2HZ LYS 4 -3.736 3.077 11.877 28 3HZ LYS 4 3HZ LYS 4 -2.788 3.619 10.574 29 H PHE 5 H PHE 5 -1.635 1.101 5.941 30 HA PHE 5 HA PHE 5 -0.885 -0.969 4.283 31 1HB PHE 5 2HB PHE 5 0.425 0.093 6.136 32 2HB PHE 5 1HB PHE 5 -0.498 -0.871 7.288 33 HD1 PHE 5 1HD PHE 5 0.922 -2.534 8.152 34 HD2 PHE 5 2HD PHE 5 0.953 -1.734 3.931 35 HE1 PHE 5 1HE PHE 5 2.494 -4.414 7.807 36 HE2 PHE 5 2HE PHE 5 2.518 -3.623 3.595 37 HZ PHE 5 HZ PHE 5 3.299 -4.950 5.523 38 H MET 6 H MET 6 -1.100 -3.256 4.344 39 HA MET 6 HA MET 6 -2.093 -5.327 4.851 40 1HB MET 6 2HB MET 6 -2.175 -3.812 7.218 41 2HB MET 6 1HB MET 6 -3.796 -4.480 7.031 42 1HG MET 6 2HG MET 6 -3.058 -6.675 7.159 43 2HG MET 6 1HG MET 6 -1.446 -6.276 6.565 44 1HE MET 6 1HE MET 6 0.607 -5.042 8.823 45 2HE MET 6 2HE MET 6 0.250 -6.130 7.484 46 3HE MET 6 3HE MET 6 0.539 -6.790 9.091 47 H TRP 7 H TRP 7 -3.691 -2.565 3.896 48 HA TRP 7 HA TRP 7 -6.436 -3.483 4.001 49 1HB TRP 7 2HB TRP 7 -4.860 -1.285 2.756 50 2HB TRP 7 1HB TRP 7 -6.418 -1.660 2.026 51 HD1 TRP 7 HD TRP 7 -5.555 -1.874 5.772 52 HE1 TRP 7 1HE TRP 7 -7.155 -0.293 7.047 53 HE3 TRP 7 3HE TRP 7 -7.966 0.298 1.850 54 HZ2 TRP 7 2HZ TRP 7 -9.162 1.617 6.486 55 HZ3 TRP 7 3HZ TRP 7 -9.729 2.005 2.242 56 HH2 TRP 7 HH TRP 7 -10.331 2.669 4.557 57 H LYS 8 H LYS 8 -7.333 -5.015 2.742 58 HA LYS 8 HA LYS 8 -5.985 -6.481 0.715 59 1HB LYS 8 2HB LYS 8 -8.020 -7.088 2.126 60 2HB LYS 8 1HB LYS 8 -8.973 -6.076 1.041 61 1HG LYS 8 2HG LYS 8 -7.225 -7.969 -0.370 62 2HG LYS 8 1HG LYS 8 -8.439 -8.754 0.643 63 1HD LYS 8 2HD LYS 8 -9.981 -8.330 -0.935 64 2HD LYS 8 1HD LYS 8 -9.744 -6.604 -0.662 65 1HE LYS 8 2HE LYS 8 -9.143 -6.678 -2.897 66 2HE LYS 8 1HE LYS 8 -7.570 -7.110 -2.198 67 1HZ LYS 8 1HZ LYS 8 -8.502 -8.702 -3.916 68 2HZ LYS 8 2HZ LYS 8 -9.661 -9.133 -2.751 69 3HZ LYS 8 3HZ LYS 8 -8.010 -9.388 -2.445 70 H CYS 9 H CYS 9 -5.531 -5.864 -1.353 71 HA CYS 9 HA CYS 9 -7.310 -3.858 -2.683 72 1HB CYS 9 2HB CYS 9 -4.989 -3.104 -3.668 73 2HB CYS 9 1HB CYS 9 -5.456 -2.575 -2.054 74 H LYS 10 H LYS 10 -6.157 -3.768 -5.140 75 HA LYS 10 HA LYS 10 -6.304 -6.612 -6.081 76 1HB LYS 10 2HB LYS 10 -7.376 -5.727 -8.037 77 2HB LYS 10 1HB LYS 10 -8.112 -4.901 -6.664 78 1HG LYS 10 2HG LYS 10 -6.469 -3.028 -6.994 79 2HG LYS 10 1HG LYS 10 -5.929 -3.829 -8.469 80 1HD LYS 10 2HD LYS 10 -8.814 -3.060 -7.957 81 2HD LYS 10 1HD LYS 10 -7.677 -2.031 -8.827 82 1HE LYS 10 2HE LYS 10 -7.300 -4.400 -10.137 83 2HE LYS 10 1HE LYS 10 -9.023 -4.512 -9.722 84 1HZ LYS 10 1HZ LYS 10 -7.642 -2.312 -11.154 85 2HZ LYS 10 2HZ LYS 10 -9.200 -2.145 -10.497 86 3HZ LYS 10 3HZ LYS 10 -8.910 -3.284 -11.724 87 H ASN 11 H ASN 11 -4.607 -3.524 -6.452 88 HA ASN 11 HA ASN 11 -2.161 -4.875 -7.290 89 1HB ASN 11 2HB ASN 11 -4.140 -4.228 -9.216 90 2HB ASN 11 1HB ASN 11 -2.821 -3.078 -9.440 91 1HD2 ASN 11 1HD2 ASN 11 -1.865 -4.027 -11.321 92 2HD2 ASN 11 2HD2 ASN 11 -1.185 -5.581 -11.327 93 H SER 12 H SER 12 -3.961 -1.813 -7.206 94 HA SER 12 HA SER 12 -2.183 -0.435 -5.531 95 1HB SER 12 2HB SER 12 -1.305 -0.800 -8.289 96 2HB SER 12 1HB SER 12 -1.350 0.901 -7.831 97 HG SER 12 HG SER 12 0.585 -0.597 -7.320 98 H ASN 13 H ASN 13 -5.038 -0.580 -6.374 99 HA ASN 13 HA ASN 13 -5.511 2.246 -7.240 100 1HB ASN 13 2HB ASN 13 -7.631 1.425 -8.017 101 2HB ASN 13 1HB ASN 13 -6.433 0.224 -8.498 102 1HD2 ASN 13 1HD2 ASN 13 -9.436 0.026 -7.694 103 2HD2 ASN 13 2HD2 ASN 13 -9.451 -1.222 -6.545 104 H ASP 14 H ASP 14 -5.329 0.409 -4.460 105 HA ASP 14 HA ASP 14 -7.264 2.207 -3.038 106 1HB ASP 14 2HB ASP 14 -6.881 -0.762 -3.060 107 2HB ASP 14 1HB ASP 14 -7.365 -0.007 -1.540 108 H CYS 15 H CYS 15 -4.064 1.285 -3.388 109 HA CYS 15 HA CYS 15 -3.256 1.290 -0.583 110 1HB CYS 15 2HB CYS 15 -1.706 1.568 -3.176 111 2HB CYS 15 1HB CYS 15 -1.023 1.150 -1.604 112 H CYS 16 H CYS 16 -2.636 3.039 0.606 113 HA CYS 16 HA CYS 16 -3.157 5.733 -0.212 114 1HB CYS 16 2HB CYS 16 -1.842 4.279 2.038 115 2HB CYS 16 1HB CYS 16 -1.506 6.005 1.896 116 H LYS 17 H LYS 17 -1.344 7.468 -0.165 117 HA LYS 17 HA LYS 17 0.492 7.110 -2.256 118 1HB LYS 17 2HB LYS 17 -0.322 9.229 -1.046 119 2HB LYS 17 1HB LYS 17 0.941 8.898 0.141 120 1HG LYS 17 2HG LYS 17 2.510 8.710 -1.936 121 2HG LYS 17 1HG LYS 17 1.231 9.584 -2.778 122 1HD LYS 17 2HD LYS 17 1.414 11.125 -0.578 123 2HD LYS 17 1HD LYS 17 3.070 10.518 -0.633 124 1HE LYS 17 2HE LYS 17 3.023 11.177 -3.144 125 2HE LYS 17 1HE LYS 17 1.606 12.152 -2.709 126 1HZ LYS 17 1HZ LYS 17 3.178 12.780 -0.703 127 2HZ LYS 17 2HZ LYS 17 3.231 13.630 -2.172 128 3HZ LYS 17 3HZ LYS 17 4.386 12.428 -1.839 129 H ASP 18 H ASP 18 2.823 6.745 -2.197 130 HA ASP 18 HA ASP 18 4.746 5.576 -1.477 131 1HB ASP 18 2HB ASP 18 3.529 6.738 1.029 132 2HB ASP 18 1HB ASP 18 4.989 5.753 1.120 133 H LEU 19 H LEU 19 1.842 4.366 -1.434 134 HA LEU 19 HA LEU 19 2.629 1.845 -0.035 135 1HB LEU 19 2HB LEU 19 0.830 3.490 1.001 136 2HB LEU 19 1HB LEU 19 -0.221 2.786 -0.226 137 HG LEU 19 HG LEU 19 0.381 0.508 0.636 138 1HD1 LEU 19 1HD1 LEU 19 2.549 1.414 1.711 139 2HD1 LEU 19 2HD1 LEU 19 1.618 0.257 2.657 140 3HD1 LEU 19 3HD1 LEU 19 1.520 1.979 3.023 141 1HD2 LEU 19 1HD2 LEU 19 -1.338 2.462 1.765 142 2HD2 LEU 19 2HD2 LEU 19 -0.603 1.606 3.118 143 3HD2 LEU 19 3HD2 LEU 19 -1.490 0.711 1.885 144 H VAL 20 H VAL 20 2.265 0.003 -1.279 145 HA VAL 20 HA VAL 20 0.623 0.295 -3.757 146 HB VAL 20 HB VAL 20 2.551 -0.882 -4.936 147 1HG1 VAL 20 1HG1 VAL 20 2.050 1.656 -4.882 148 2HG1 VAL 20 2HG1 VAL 20 3.662 1.157 -5.391 149 3HG1 VAL 20 3HG1 VAL 20 3.402 1.762 -3.755 150 1HG2 VAL 20 1HG2 VAL 20 3.480 -1.379 -2.454 151 2HG2 VAL 20 2HG2 VAL 20 4.359 0.113 -2.789 152 3HG2 VAL 20 3HG2 VAL 20 4.543 -1.278 -3.857 153 H CYS 21 H CYS 21 -0.586 -1.526 -4.157 154 HA CYS 21 HA CYS 21 -0.863 -3.616 -2.254 155 1HB CYS 21 2HB CYS 21 -2.378 -2.746 -4.179 156 2HB CYS 21 1HB CYS 21 -1.476 -3.863 -5.197 157 H SER 22 H SER 22 0.098 -5.673 -2.120 158 HA SER 22 HA SER 22 2.022 -6.447 -4.263 159 1HB SER 22 2HB SER 22 2.664 -6.392 -1.309 160 2HB SER 22 1HB SER 22 3.780 -6.730 -2.630 161 HG SER 22 HG SER 22 2.951 -4.506 -3.350 162 H SER 23 H SER 23 1.937 -8.592 -4.695 163 HA SER 23 HA SER 23 0.056 -10.326 -3.412 164 1HB SER 23 2HB SER 23 1.913 -10.282 -5.652 165 2HB SER 23 1HB SER 23 1.902 -11.857 -4.862 166 HG SER 23 HG SER 23 0.263 -11.824 -6.372 167 H ARG 24 H ARG 24 3.392 -9.534 -2.865 168 HA ARG 24 HA ARG 24 4.049 -11.937 -1.328 169 1HB ARG 24 2HB ARG 24 5.475 -10.075 -2.660 170 2HB ARG 24 1HB ARG 24 5.532 -9.358 -1.049 171 1HG ARG 24 2HG ARG 24 6.122 -12.283 -1.346 172 2HG ARG 24 1HG ARG 24 7.366 -11.115 -1.793 173 1HD ARG 24 2HD ARG 24 6.118 -10.415 0.753 174 2HD ARG 24 1HD ARG 24 6.861 -12.027 0.797 175 HE ARG 24 HE ARG 24 8.303 -9.527 0.553 176 1HH1 ARG 24 1HH1 ARG 24 8.249 -12.909 -0.079 177 2HH1 ARG 24 2HH1 ARG 24 9.920 -12.989 -0.526 178 1HH2 ARG 24 1HH2 ARG 24 10.453 -9.580 -0.187 179 2HH2 ARG 24 2HH2 ARG 24 11.166 -11.106 -0.587 180 H TRP 25 H TRP 25 2.970 -8.635 -0.701 181 HA TRP 25 HA TRP 25 2.930 -9.151 2.229 182 1HB TRP 25 2HB TRP 25 2.371 -6.669 0.577 183 2HB TRP 25 1HB TRP 25 2.512 -6.724 2.336 184 HD1 TRP 25 HD TRP 25 4.552 -6.181 -0.676 185 HE1 TRP 25 1HE TRP 25 7.064 -6.310 -0.124 186 HE3 TRP 25 3HE TRP 25 4.345 -8.240 3.997 187 HZ2 TRP 25 2HZ TRP 25 8.744 -7.153 1.966 188 HZ3 TRP 25 3HZ TRP 25 6.438 -8.699 5.247 189 HH2 TRP 25 HH TRP 25 8.641 -8.160 4.240 190 H LYS 26 H LYS 26 0.962 -9.611 -0.410 191 HA LYS 26 HA LYS 26 -1.342 -9.919 -0.702 192 1HB LYS 26 2HB LYS 26 -2.206 -11.329 0.955 193 2HB LYS 26 1HB LYS 26 -0.471 -11.491 1.191 194 1HG LYS 26 2HG LYS 26 -1.555 -9.272 2.754 195 2HG LYS 26 1HG LYS 26 -2.350 -10.792 3.135 196 1HD LYS 26 2HD LYS 26 0.659 -10.405 3.079 197 2HD LYS 26 1HD LYS 26 -0.323 -10.406 4.534 198 1HE LYS 26 2HE LYS 26 -1.103 -12.738 3.194 199 2HE LYS 26 1HE LYS 26 0.661 -12.675 3.004 200 1HZ LYS 26 1HZ LYS 26 0.979 -12.475 5.293 201 2HZ LYS 26 2HZ LYS 26 -0.237 -13.656 5.164 202 3HZ LYS 26 3HZ LYS 26 -0.639 -12.061 5.587 203 H TRP 27 H TRP 27 -0.495 -7.199 -0.098 204 HA TRP 27 HA TRP 27 -3.007 -5.931 0.193 205 1HB TRP 27 2HB TRP 27 -2.804 -5.083 2.536 206 2HB TRP 27 1HB TRP 27 -3.010 -6.825 2.462 207 HD1 TRP 27 HD TRP 27 0.240 -4.736 2.098 208 HE1 TRP 27 1HE TRP 27 1.936 -5.587 3.834 209 HE3 TRP 27 3HE TRP 27 -2.620 -8.191 4.503 210 HZ2 TRP 27 2HZ TRP 27 2.065 -7.445 5.953 211 HZ3 TRP 27 3HZ TRP 27 -1.691 -9.483 6.404 212 HH2 TRP 27 HH TRP 27 0.652 -9.117 7.136 213 H CYS 28 H CYS 28 -2.682 -3.483 0.760 214 HA CYS 28 HA CYS 28 -0.627 -2.376 -0.877 215 1HB CYS 28 2HB CYS 28 -2.287 -1.274 1.416 216 2HB CYS 28 1HB CYS 28 -1.324 -0.265 0.334 217 H VAL 29 H VAL 29 1.512 -1.802 -0.360 218 HA VAL 29 HA VAL 29 2.336 -2.209 2.487 219 HB VAL 29 HB VAL 29 4.128 -2.836 0.216 220 1HG1 VAL 29 1HG1 VAL 29 5.288 -4.063 1.769 221 2HG1 VAL 29 2HG1 VAL 29 3.825 -4.537 2.631 222 3HG1 VAL 29 3HG1 VAL 29 4.503 -2.924 2.862 223 1HG2 VAL 29 1HG2 VAL 29 1.934 -3.943 -0.299 224 2HG2 VAL 29 2HG2 VAL 29 2.026 -4.750 1.265 225 3HG2 VAL 29 3HG2 VAL 29 3.224 -5.095 0.023 226 H LEU 30 H LEU 30 4.103 -0.964 3.210 227 HA LEU 30 HA LEU 30 4.266 1.727 2.304 228 1HB LEU 30 2HB LEU 30 6.414 1.621 3.755 229 2HB LEU 30 1HB LEU 30 4.883 1.237 4.534 230 HG LEU 30 HG LEU 30 5.927 -1.169 3.365 231 1HD1 LEU 30 1HD1 LEU 30 7.930 -1.104 5.151 232 2HD1 LEU 30 2HD1 LEU 30 7.903 0.607 4.721 233 3HD1 LEU 30 3HD1 LEU 30 8.159 -0.612 3.473 234 1HD2 LEU 30 1HD2 LEU 30 5.082 -1.952 5.306 235 2HD2 LEU 30 2HD2 LEU 30 4.618 -0.291 5.675 236 3HD2 LEU 30 3HD2 LEU 30 6.155 -0.929 6.260 237 H ALA 31 H ALA 31 4.565 1.089 -0.098 238 HA ALA 31 HA ALA 31 5.965 0.719 -1.992 239 1HB ALA 31 1HB ALA 31 7.475 2.556 -2.123 240 2HB ALA 31 2HB ALA 31 7.772 2.533 -0.384 241 3HB ALA 31 3HB ALA 31 6.220 3.094 -1.007 242 H SER 32 H SER 32 6.328 -1.508 -0.470 243 HA SER 32 HA SER 32 7.883 -3.207 0.067 244 1HB SER 32 2HB SER 32 9.256 -3.518 -1.737 245 2HB SER 32 1HB SER 32 8.409 -2.119 -2.391 246 HG SER 32 HG SER 32 10.950 -2.311 -1.950 247 HA PRO 33 HA PRO 33 10.694 -1.784 3.122 248 1HB PRO 33 2HB PRO 33 12.862 -3.438 2.874 249 2HB PRO 33 1HB PRO 33 11.305 -3.980 3.532 250 1HG PRO 33 2HG PRO 33 12.446 -4.366 0.812 251 2HG PRO 33 1HG PRO 33 11.502 -5.484 1.810 252 1HD PRO 33 2HD PRO 33 10.447 -4.066 -0.269 253 2HD PRO 33 1HD PRO 33 9.500 -4.597 1.136 254 H PHE 34 H PHE 34 10.839 0.011 1.114 255 HA PHE 34 HA PHE 34 13.777 0.413 0.648 256 1HB PHE 34 2HB PHE 34 12.489 -0.161 -1.379 257 2HB PHE 34 1HB PHE 34 11.381 1.172 -1.056 258 HD1 PHE 34 1HD PHE 34 15.031 0.464 -1.530 259 HD2 PHE 34 2HD PHE 34 11.821 3.285 -1.960 260 HE1 PHE 34 1HE PHE 34 16.558 2.022 -2.709 261 HE2 PHE 34 2HE PHE 34 13.348 4.844 -3.139 262 HZ PHE 34 HZ PHE 34 15.717 4.212 -3.513 Start of MODEL 15 1 1H GLU 1 1HT GLU 1 -11.449 8.285 0.383 2 2H GLU 1 2HT GLU 1 -11.989 7.985 1.965 3 3H GLU 1 3HT GLU 1 -11.665 6.689 0.915 4 HA GLU 1 HA GLU 1 -9.515 8.593 1.616 5 1HB GLU 1 2HB GLU 1 -9.061 7.269 3.590 6 2HB GLU 1 1HB GLU 1 -10.751 7.770 3.663 7 1HG GLU 1 2HG GLU 1 -10.961 5.429 2.269 8 2HG GLU 1 1HG GLU 1 -9.598 5.070 3.329 9 H CYS 2 H CYS 2 -7.705 6.618 2.220 10 HA CYS 2 HA CYS 2 -7.586 4.993 -0.302 11 1HB CYS 2 2HB CYS 2 -5.160 5.322 -0.148 12 2HB CYS 2 1HB CYS 2 -5.989 6.875 -0.171 13 H GLY 3 H GLY 3 -6.166 3.003 -0.014 14 1HA GLY 3 2HA GLY 3 -7.066 1.560 2.355 15 2HA GLY 3 1HA GLY 3 -6.103 0.889 1.039 16 H LYS 4 H LYS 4 -5.961 1.486 4.240 17 HA LYS 4 HA LYS 4 -3.263 2.602 4.472 18 1HB LYS 4 2HB LYS 4 -4.814 2.995 6.241 19 2HB LYS 4 1HB LYS 4 -5.267 1.291 6.315 20 1HG LYS 4 2HG LYS 4 -3.767 1.808 8.166 21 2HG LYS 4 1HG LYS 4 -2.944 0.743 7.026 22 1HD LYS 4 2HD LYS 4 -1.297 2.265 6.880 23 2HD LYS 4 1HD LYS 4 -2.449 3.367 6.123 24 1HE LYS 4 2HE LYS 4 -2.752 4.583 8.048 25 2HE LYS 4 1HE LYS 4 -2.590 3.156 9.091 26 1HZ LYS 4 1HZ LYS 4 -0.645 4.940 8.794 27 2HZ LYS 4 2HZ LYS 4 -0.251 3.884 7.523 28 3HZ LYS 4 3HZ LYS 4 -0.351 3.302 9.117 29 H PHE 5 H PHE 5 -1.406 1.331 5.232 30 HA PHE 5 HA PHE 5 -0.757 -0.965 3.881 31 1HB PHE 5 2HB PHE 5 0.802 0.271 5.292 32 2HB PHE 5 1HB PHE 5 -0.068 -0.237 6.740 33 HD1 PHE 5 1HD PHE 5 2.177 -1.318 4.025 34 HD2 PHE 5 2HD PHE 5 0.067 -2.563 7.557 35 HE1 PHE 5 1HE PHE 5 3.535 -3.383 4.108 36 HE2 PHE 5 2HE PHE 5 1.430 -4.627 7.636 37 HZ PHE 5 HZ PHE 5 3.164 -5.035 5.912 38 H MET 6 H MET 6 -0.880 -3.198 4.281 39 HA MET 6 HA MET 6 -1.713 -5.198 5.181 40 1HB MET 6 2HB MET 6 -1.637 -3.372 7.310 41 2HB MET 6 1HB MET 6 -3.254 -4.072 7.369 42 1HG MET 6 2HG MET 6 -2.477 -6.155 7.898 43 2HG MET 6 1HG MET 6 -1.040 -5.985 6.888 44 1HE MET 6 1HE MET 6 0.003 -7.375 9.125 45 2HE MET 6 2HE MET 6 1.285 -6.303 9.681 46 3HE MET 6 3HE MET 6 0.940 -6.433 7.958 47 H TRP 7 H TRP 7 -3.407 -2.778 3.816 48 HA TRP 7 HA TRP 7 -6.118 -3.901 4.261 49 1HB TRP 7 2HB TRP 7 -4.900 -1.483 2.945 50 2HB TRP 7 1HB TRP 7 -6.558 -1.934 2.580 51 HD1 TRP 7 HD TRP 7 -4.883 -2.291 6.029 52 HE1 TRP 7 1HE TRP 7 -6.200 -0.836 7.711 53 HE3 TRP 7 3HE TRP 7 -8.144 0.013 2.859 54 HZ2 TRP 7 2HZ TRP 7 -8.319 1.032 7.717 55 HZ3 TRP 7 3HZ TRP 7 -9.810 1.635 3.730 56 HH2 TRP 7 HH TRP 7 -9.902 2.150 6.156 57 H LYS 8 H LYS 8 -7.080 -5.272 2.788 58 HA LYS 8 HA LYS 8 -5.642 -6.521 0.675 59 1HB LYS 8 2HB LYS 8 -8.620 -6.151 1.161 60 2HB LYS 8 1HB LYS 8 -7.929 -7.330 0.046 61 1HG LYS 8 2HG LYS 8 -6.497 -7.877 2.296 62 2HG LYS 8 1HG LYS 8 -8.028 -7.366 3.005 63 1HD LYS 8 2HD LYS 8 -9.125 -8.956 1.277 64 2HD LYS 8 1HD LYS 8 -7.510 -9.645 1.100 65 1HE LYS 8 2HE LYS 8 -7.819 -9.485 3.858 66 2HE LYS 8 1HE LYS 8 -9.424 -9.983 3.289 67 1HZ LYS 8 1HZ LYS 8 -7.521 -11.740 3.594 68 2HZ LYS 8 2HZ LYS 8 -7.056 -11.195 2.054 69 3HZ LYS 8 3HZ LYS 8 -8.604 -11.853 2.294 70 H CYS 9 H CYS 9 -5.297 -5.895 -1.436 71 HA CYS 9 HA CYS 9 -6.829 -3.533 -2.463 72 1HB CYS 9 2HB CYS 9 -4.515 -3.007 -3.538 73 2HB CYS 9 1HB CYS 9 -4.734 -2.673 -1.823 74 H LYS 10 H LYS 10 -6.292 -3.319 -4.945 75 HA LYS 10 HA LYS 10 -6.823 -5.972 -6.170 76 1HB LYS 10 2HB LYS 10 -8.302 -4.714 -7.339 77 2HB LYS 10 1HB LYS 10 -7.756 -3.288 -6.464 78 1HG LYS 10 2HG LYS 10 -7.455 -2.782 -8.782 79 2HG LYS 10 1HG LYS 10 -5.844 -3.151 -8.163 80 1HD LYS 10 2HD LYS 10 -5.872 -4.465 -10.080 81 2HD LYS 10 1HD LYS 10 -6.474 -5.617 -8.887 82 1HE LYS 10 2HE LYS 10 -8.174 -5.871 -10.420 83 2HE LYS 10 1HE LYS 10 -8.809 -4.410 -9.637 84 1HZ LYS 10 1HZ LYS 10 -8.667 -3.921 -11.935 85 2HZ LYS 10 2HZ LYS 10 -7.104 -4.577 -12.059 86 3HZ LYS 10 3HZ LYS 10 -7.357 -3.128 -11.208 87 H ASN 11 H ASN 11 -4.515 -3.299 -6.236 88 HA ASN 11 HA ASN 11 -2.325 -4.886 -7.126 89 1HB ASN 11 2HB ASN 11 -4.266 -4.185 -9.116 90 2HB ASN 11 1HB ASN 11 -2.758 -3.351 -9.488 91 1HD2 ASN 11 1HD2 ASN 11 -0.875 -4.658 -10.005 92 2HD2 ASN 11 2HD2 ASN 11 -1.001 -6.324 -10.309 93 H SER 12 H SER 12 -3.840 -1.718 -6.892 94 HA SER 12 HA SER 12 -1.665 -0.435 -5.680 95 1HB SER 12 2HB SER 12 -1.292 -0.987 -8.468 96 2HB SER 12 1HB SER 12 -1.365 0.758 -8.242 97 HG SER 12 HG SER 12 0.176 -0.900 -6.552 98 H ASN 13 H ASN 13 -4.527 -0.212 -7.656 99 HA ASN 13 HA ASN 13 -4.833 2.675 -7.485 100 1HB ASN 13 2HB ASN 13 -5.886 0.581 -8.944 101 2HB ASN 13 1HB ASN 13 -7.226 1.015 -7.882 102 1HD2 ASN 13 1HD2 ASN 13 -4.847 2.535 -10.121 103 2HD2 ASN 13 2HD2 ASN 13 -5.882 3.790 -10.607 104 H ASP 14 H ASP 14 -4.855 0.514 -5.031 105 HA ASP 14 HA ASP 14 -7.026 1.990 -3.572 106 1HB ASP 14 2HB ASP 14 -6.258 -0.939 -3.612 107 2HB ASP 14 1HB ASP 14 -7.316 -0.251 -2.380 108 H CYS 15 H CYS 15 -3.731 1.443 -3.723 109 HA CYS 15 HA CYS 15 -3.261 1.248 -0.821 110 1HB CYS 15 2HB CYS 15 -1.466 1.521 -3.250 111 2HB CYS 15 1HB CYS 15 -0.896 1.213 -1.610 112 H CYS 16 H CYS 16 -2.946 2.962 0.474 113 HA CYS 16 HA CYS 16 -3.416 5.647 -0.130 114 1HB CYS 16 2HB CYS 16 -1.680 4.258 1.910 115 2HB CYS 16 1HB CYS 16 -1.946 6.000 1.946 116 H LYS 17 H LYS 17 -1.801 7.473 -0.066 117 HA LYS 17 HA LYS 17 0.016 7.443 -2.193 118 1HB LYS 17 2HB LYS 17 -0.871 9.454 -1.082 119 2HB LYS 17 1HB LYS 17 0.024 9.053 0.383 120 1HG LYS 17 2HG LYS 17 2.148 9.190 -0.947 121 2HG LYS 17 1HG LYS 17 1.199 9.759 -2.321 122 1HD LYS 17 2HD LYS 17 1.493 11.109 0.377 123 2HD LYS 17 1HD LYS 17 2.081 11.701 -1.177 124 1HE LYS 17 2HE LYS 17 -0.843 11.295 -0.439 125 2HE LYS 17 1HE LYS 17 -0.015 12.858 -0.592 126 1HZ LYS 17 1HZ LYS 17 -0.922 11.057 -2.657 127 2HZ LYS 17 2HZ LYS 17 0.674 11.594 -2.877 128 3HZ LYS 17 3HZ LYS 17 -0.591 12.718 -2.740 129 H ASP 18 H ASP 18 2.324 7.175 -2.243 130 HA ASP 18 HA ASP 18 4.358 6.123 -1.647 131 1HB ASP 18 2HB ASP 18 3.225 7.116 0.980 132 2HB ASP 18 1HB ASP 18 4.822 6.374 0.868 133 H LEU 19 H LEU 19 1.732 4.590 -1.689 134 HA LEU 19 HA LEU 19 2.700 2.221 -0.142 135 1HB LEU 19 2HB LEU 19 0.731 3.720 0.803 136 2HB LEU 19 1HB LEU 19 -0.226 2.861 -0.402 137 HG LEU 19 HG LEU 19 0.487 0.703 0.558 138 1HD1 LEU 19 1HD1 LEU 19 1.992 2.502 2.480 139 2HD1 LEU 19 2HD1 LEU 19 2.667 1.268 1.423 140 3HD1 LEU 19 3HD1 LEU 19 1.673 0.797 2.797 141 1HD2 LEU 19 1HD2 LEU 19 -1.027 0.769 2.312 142 2HD2 LEU 19 2HD2 LEU 19 -1.438 2.283 1.505 143 3HD2 LEU 19 3HD2 LEU 19 -0.400 2.296 2.932 144 H VAL 20 H VAL 20 2.296 0.221 -1.207 145 HA VAL 20 HA VAL 20 0.896 0.368 -3.847 146 HB VAL 20 HB VAL 20 2.844 -0.998 -4.729 147 1HG1 VAL 20 1HG1 VAL 20 3.408 1.776 -3.640 148 2HG1 VAL 20 2HG1 VAL 20 2.685 1.395 -5.203 149 3HG1 VAL 20 3HG1 VAL 20 4.367 0.973 -4.884 150 1HG2 VAL 20 1HG2 VAL 20 3.986 -0.181 -2.041 151 2HG2 VAL 20 2HG2 VAL 20 4.955 -0.804 -3.377 152 3HG2 VAL 20 3HG2 VAL 20 3.730 -1.825 -2.624 153 H CYS 21 H CYS 21 -0.108 -1.582 -4.456 154 HA CYS 21 HA CYS 21 -0.851 -3.417 -2.355 155 1HB CYS 21 2HB CYS 21 -2.161 -2.705 -4.405 156 2HB CYS 21 1HB CYS 21 -1.085 -3.717 -5.363 157 H SER 22 H SER 22 -0.076 -5.554 -1.980 158 HA SER 22 HA SER 22 2.150 -6.483 -3.752 159 1HB SER 22 2HB SER 22 2.155 -5.708 -0.899 160 2HB SER 22 1HB SER 22 2.989 -7.216 -1.262 161 HG SER 22 HG SER 22 4.095 -6.015 -2.936 162 H SER 23 H SER 23 1.317 -8.380 -4.550 163 HA SER 23 HA SER 23 -0.633 -10.018 -3.302 164 1HB SER 23 2HB SER 23 -0.497 -10.632 -5.485 165 2HB SER 23 1HB SER 23 1.146 -10.012 -5.624 166 HG SER 23 HG SER 23 1.889 -11.952 -5.277 167 H ARG 24 H ARG 24 2.821 -9.779 -2.930 168 HA ARG 24 HA ARG 24 3.178 -12.380 -1.636 169 1HB ARG 24 2HB ARG 24 4.827 -10.797 -2.953 170 2HB ARG 24 1HB ARG 24 5.010 -10.002 -1.390 171 1HG ARG 24 2HG ARG 24 5.213 -12.691 -0.751 172 2HG ARG 24 1HG ARG 24 6.056 -12.580 -2.296 173 1HD ARG 24 2HD ARG 24 7.617 -12.160 -0.417 174 2HD ARG 24 1HD ARG 24 7.415 -10.689 -1.390 175 HE ARG 24 HE ARG 24 5.883 -9.832 0.322 176 1HH1 ARG 24 1HH2 ARG 24 8.373 -10.579 1.870 177 2HH1 ARG 24 2HH2 ARG 24 7.704 -11.461 3.203 178 1HH2 ARG 24 1HH1 ARG 24 4.622 -11.936 1.684 179 2HH2 ARG 24 2HH1 ARG 24 5.581 -12.229 3.096 180 H TRP 25 H TRP 25 2.975 -8.982 -0.623 181 HA TRP 25 HA TRP 25 3.037 -9.665 2.234 182 1HB TRP 25 2HB TRP 25 2.551 -7.124 0.645 183 2HB TRP 25 1HB TRP 25 2.670 -7.174 2.404 184 HD1 TRP 25 HD TRP 25 4.752 -6.752 -0.583 185 HE1 TRP 25 1HE TRP 25 7.251 -7.018 -0.012 186 HE3 TRP 25 3HE TRP 25 4.397 -8.801 4.085 187 HZ2 TRP 25 2HZ TRP 25 8.865 -7.957 2.094 188 HZ3 TRP 25 3HZ TRP 25 6.448 -9.376 5.353 189 HH2 TRP 25 HH TRP 25 8.687 -8.959 4.365 190 H LYS 26 H LYS 26 0.710 -9.578 -0.245 191 HA LYS 26 HA LYS 26 -1.603 -9.987 -0.194 192 1HB LYS 26 2HB LYS 26 -2.188 -11.316 1.561 193 2HB LYS 26 1HB LYS 26 -0.496 -11.162 2.017 194 1HG LYS 26 2HG LYS 26 -1.568 -8.892 3.136 195 2HG LYS 26 1HG LYS 26 -2.899 -10.030 3.304 196 1HD LYS 26 2HD LYS 26 -0.123 -10.156 4.452 197 2HD LYS 26 1HD LYS 26 -1.673 -10.363 5.265 198 1HE LYS 26 2HE LYS 26 -1.384 -12.605 5.063 199 2HE LYS 26 1HE LYS 26 -1.577 -12.411 3.311 200 1HZ LYS 26 1HZ LYS 26 0.650 -13.331 4.311 201 2HZ LYS 26 2HZ LYS 26 0.988 -11.681 4.531 202 3HZ LYS 26 3HZ LYS 26 0.668 -12.285 2.976 203 H TRP 27 H TRP 27 -0.383 -7.176 0.274 204 HA TRP 27 HA TRP 27 -2.850 -5.788 0.554 205 1HB TRP 27 2HB TRP 27 -2.481 -4.862 2.857 206 2HB TRP 27 1HB TRP 27 -2.771 -6.594 2.853 207 HD1 TRP 27 HD TRP 27 0.524 -4.660 2.236 208 HE1 TRP 27 1HE TRP 27 2.303 -5.544 3.865 209 HE3 TRP 27 3HE TRP 27 -2.291 -7.950 4.930 210 HZ2 TRP 27 2HZ TRP 27 2.517 -7.350 6.013 211 HZ3 TRP 27 3HZ TRP 27 -1.266 -9.230 6.792 212 HH2 TRP 27 HH TRP 27 1.134 -8.935 7.339 213 H CYS 28 H CYS 28 -2.417 -3.354 1.059 214 HA CYS 28 HA CYS 28 -0.408 -2.374 -0.749 215 1HB CYS 28 2HB CYS 28 -2.119 -1.138 1.432 216 2HB CYS 28 1HB CYS 28 -1.140 -0.171 0.325 217 H VAL 29 H VAL 29 1.741 -2.847 -0.201 218 HA VAL 29 HA VAL 29 2.646 -2.611 2.599 219 HB VAL 29 HB VAL 29 4.739 -3.477 1.674 220 1HG1 VAL 29 1HG1 VAL 29 3.385 -5.307 2.051 221 2HG1 VAL 29 2HG1 VAL 29 3.575 -5.459 0.305 222 3HG1 VAL 29 3HG1 VAL 29 2.117 -4.724 0.972 223 1HG2 VAL 29 1HG2 VAL 29 5.115 -2.484 -0.384 224 2HG2 VAL 29 2HG2 VAL 29 3.437 -2.653 -0.894 225 3HG2 VAL 29 3HG2 VAL 29 4.508 -4.053 -0.911 226 H LEU 30 H LEU 30 4.274 -1.168 3.287 227 HA LEU 30 HA LEU 30 4.149 1.512 2.493 228 1HB LEU 30 2HB LEU 30 6.432 -0.056 3.727 229 2HB LEU 30 1HB LEU 30 6.269 1.699 3.782 230 HG LEU 30 HG LEU 30 4.169 -0.206 4.851 231 1HD1 LEU 30 1HD1 LEU 30 5.449 1.232 6.936 232 2HD1 LEU 30 2HD1 LEU 30 6.730 0.524 5.951 233 3HD1 LEU 30 3HD1 LEU 30 5.485 -0.509 6.654 234 1HD2 LEU 30 1HD2 LEU 30 3.617 2.217 4.143 235 2HD2 LEU 30 2HD2 LEU 30 4.605 2.709 5.518 236 3HD2 LEU 30 3HD2 LEU 30 3.159 1.732 5.775 237 H ALA 31 H ALA 31 4.881 2.544 0.683 238 HA ALA 31 HA ALA 31 6.747 1.113 -1.127 239 1HB ALA 31 1HB ALA 31 5.174 3.690 -1.429 240 2HB ALA 31 2HB ALA 31 4.616 2.097 -1.941 241 3HB ALA 31 3HB ALA 31 6.010 2.837 -2.726 242 H SER 32 H SER 32 7.953 2.000 1.229 243 HA SER 32 HA SER 32 9.667 3.428 2.067 244 1HB SER 32 2HB SER 32 11.195 2.357 0.758 245 2HB SER 32 1HB SER 32 10.171 2.461 -0.671 246 HG SER 32 HG SER 32 11.633 4.623 0.452 247 HA PRO 33 HA PRO 33 7.867 7.341 0.514 248 1HB PRO 33 2HB PRO 33 7.391 8.409 2.984 249 2HB PRO 33 1HB PRO 33 6.254 7.315 2.171 250 1HG PRO 33 2HG PRO 33 8.130 6.780 4.396 251 2HG PRO 33 1HG PRO 33 6.551 6.065 4.050 252 1HD PRO 33 2HD PRO 33 9.012 4.873 3.542 253 2HD PRO 33 1HD PRO 33 7.459 4.390 2.826 254 H PHE 34 H PHE 34 10.531 7.087 0.251 255 HA PHE 34 HA PHE 34 11.576 9.614 1.296 256 1HB PHE 34 2HB PHE 34 13.142 8.733 2.812 257 2HB PHE 34 1HB PHE 34 11.738 7.704 3.085 258 HD1 PHE 34 1HD PHE 34 14.934 7.923 1.164 259 HD2 PHE 34 2HD PHE 34 11.874 5.363 2.758 260 HE1 PHE 34 1HE PHE 34 16.284 5.935 0.558 261 HE2 PHE 34 2HE PHE 34 13.225 3.374 2.153 262 HZ PHE 34 HZ PHE 34 15.430 3.659 1.052 Start of MODEL 16 1 1H GLU 1 1HT GLU 1 -9.754 4.140 -2.297 2 2H GLU 1 2HT GLU 1 -11.277 4.893 -2.269 3 3H GLU 1 3HT GLU 1 -10.885 3.720 -1.104 4 HA GLU 1 HA GLU 1 -9.980 6.520 -1.294 5 1HB GLU 1 2HB GLU 1 -10.680 4.767 1.069 6 2HB GLU 1 1HB GLU 1 -10.769 6.525 0.955 7 1HG GLU 1 2HG GLU 1 -12.612 6.369 -0.636 8 2HG GLU 1 1HG GLU 1 -12.483 4.611 -0.654 9 H CYS 2 H CYS 2 -8.356 6.910 0.658 10 HA CYS 2 HA CYS 2 -5.838 5.830 0.046 11 1HB CYS 2 2HB CYS 2 -6.631 7.824 1.527 12 2HB CYS 2 1HB CYS 2 -6.663 6.639 2.833 13 H GLY 3 H GLY 3 -5.212 3.706 0.187 14 1HA GLY 3 2HA GLY 3 -6.570 1.923 2.118 15 2HA GLY 3 1HA GLY 3 -5.488 1.408 0.825 16 H LYS 4 H LYS 4 -5.694 1.655 4.107 17 HA LYS 4 HA LYS 4 -2.967 2.538 4.711 18 1HB LYS 4 2HB LYS 4 -5.328 2.372 6.058 19 2HB LYS 4 1HB LYS 4 -4.538 0.901 6.629 20 1HG LYS 4 2HG LYS 4 -2.930 3.422 6.573 21 2HG LYS 4 1HG LYS 4 -4.140 3.240 7.844 22 1HD LYS 4 2HD LYS 4 -2.531 0.822 7.436 23 2HD LYS 4 1HD LYS 4 -1.571 2.217 7.931 24 1HE LYS 4 2HE LYS 4 -3.120 2.590 9.843 25 2HE LYS 4 1HE LYS 4 -4.029 1.142 9.365 26 1HZ LYS 4 1HZ LYS 4 -1.143 1.265 10.068 27 2HZ LYS 4 2HZ LYS 4 -1.933 -0.117 9.476 28 3HZ LYS 4 3HZ LYS 4 -2.369 0.534 10.984 29 H PHE 5 H PHE 5 -1.243 1.108 5.393 30 HA PHE 5 HA PHE 5 -0.655 -1.151 3.965 31 1HB PHE 5 2HB PHE 5 0.735 0.069 5.688 32 2HB PHE 5 1HB PHE 5 -0.117 -0.850 6.928 33 HD1 PHE 5 1HD PHE 5 -0.090 -3.471 6.695 34 HD2 PHE 5 2HD PHE 5 2.610 -0.840 4.630 35 HE1 PHE 5 1HE PHE 5 1.487 -5.350 6.341 36 HE2 PHE 5 2HE PHE 5 4.178 -2.718 4.279 37 HZ PHE 5 HZ PHE 5 3.620 -4.970 5.131 38 H MET 6 H MET 6 -0.919 -3.406 4.258 39 HA MET 6 HA MET 6 -1.941 -5.386 4.987 40 1HB MET 6 2HB MET 6 -1.892 -3.643 7.217 41 2HB MET 6 1HB MET 6 -3.496 -4.378 7.185 42 1HG MET 6 2HG MET 6 -2.669 -6.521 7.474 43 2HG MET 6 1HG MET 6 -1.124 -6.140 6.714 44 1HE MET 6 1HE MET 6 -0.172 -7.625 8.567 45 2HE MET 6 2HE MET 6 0.705 -6.760 9.827 46 3HE MET 6 3HE MET 6 0.918 -6.298 8.140 47 H TRP 7 H TRP 7 -3.477 -2.713 3.812 48 HA TRP 7 HA TRP 7 -6.248 -3.627 4.099 49 1HB TRP 7 2HB TRP 7 -4.750 -1.379 2.823 50 2HB TRP 7 1HB TRP 7 -6.359 -1.737 2.216 51 HD1 TRP 7 HD TRP 7 -5.196 -2.044 5.872 52 HE1 TRP 7 1HE TRP 7 -6.698 -0.501 7.312 53 HE3 TRP 7 3HE TRP 7 -7.908 0.220 2.209 54 HZ2 TRP 7 2HZ TRP 7 -8.750 1.414 6.956 55 HZ3 TRP 7 3HZ TRP 7 -9.641 1.908 2.777 56 HH2 TRP 7 HH TRP 7 -10.064 2.511 5.148 57 H LYS 8 H LYS 8 -7.372 -4.851 2.635 58 HA LYS 8 HA LYS 8 -6.052 -6.413 0.637 59 1HB LYS 8 2HB LYS 8 -8.266 -6.735 1.964 60 2HB LYS 8 1HB LYS 8 -8.997 -5.742 0.702 61 1HG LYS 8 2HG LYS 8 -7.756 -7.415 -0.916 62 2HG LYS 8 1HG LYS 8 -7.777 -8.476 0.492 63 1HD LYS 8 2HD LYS 8 -10.291 -7.898 0.655 64 2HD LYS 8 1HD LYS 8 -10.121 -7.288 -0.993 65 1HE LYS 8 2HE LYS 8 -8.993 -9.611 -1.465 66 2HE LYS 8 1HE LYS 8 -9.846 -10.113 0.009 67 1HZ LYS 8 1HZ LYS 8 -11.859 -9.813 -0.937 68 2HZ LYS 8 2HZ LYS 8 -11.007 -10.053 -2.386 69 3HZ LYS 8 3HZ LYS 8 -11.361 -8.477 -1.857 70 H CYS 9 H CYS 9 -5.531 -5.857 -1.443 71 HA CYS 9 HA CYS 9 -6.953 -3.544 -2.704 72 1HB CYS 9 2HB CYS 9 -4.580 -3.059 -3.629 73 2HB CYS 9 1HB CYS 9 -4.889 -2.669 -1.938 74 H LYS 10 H LYS 10 -6.195 -3.502 -5.159 75 HA LYS 10 HA LYS 10 -6.489 -6.292 -6.192 76 1HB LYS 10 2HB LYS 10 -7.627 -5.283 -8.032 77 2HB LYS 10 1HB LYS 10 -8.199 -4.415 -6.608 78 1HG LYS 10 2HG LYS 10 -6.715 -2.566 -7.044 79 2HG LYS 10 1HG LYS 10 -5.887 -3.459 -8.319 80 1HD LYS 10 2HD LYS 10 -8.845 -3.044 -8.549 81 2HD LYS 10 1HD LYS 10 -7.769 -1.701 -8.926 82 1HE LYS 10 2HE LYS 10 -6.705 -4.063 -10.161 83 2HE LYS 10 1HE LYS 10 -8.418 -3.916 -10.599 84 1HZ LYS 10 1HZ LYS 10 -8.094 -1.679 -11.282 85 2HZ LYS 10 2HZ LYS 10 -6.872 -2.592 -12.028 86 3HZ LYS 10 3HZ LYS 10 -6.513 -1.640 -10.667 87 H ASN 11 H ASN 11 -4.620 -3.305 -6.495 88 HA ASN 11 HA ASN 11 -2.320 -4.775 -7.534 89 1HB ASN 11 2HB ASN 11 -4.314 -3.676 -9.305 90 2HB ASN 11 1HB ASN 11 -2.781 -2.838 -9.548 91 1HD2 ASN 11 1HD2 ASN 11 -4.497 -5.569 -10.519 92 2HD2 ASN 11 2HD2 ASN 11 -3.194 -6.516 -11.052 93 H SER 12 H SER 12 -3.862 -1.629 -6.946 94 HA SER 12 HA SER 12 -1.812 -0.556 -5.365 95 1HB SER 12 2HB SER 12 -0.218 -0.678 -7.055 96 2HB SER 12 1HB SER 12 -1.404 -0.405 -8.327 97 HG SER 12 HG SER 12 -0.047 1.420 -7.946 98 H ASN 13 H ASN 13 -4.423 -0.021 -7.617 99 HA ASN 13 HA ASN 13 -4.689 2.832 -7.231 100 1HB ASN 13 2HB ASN 13 -6.614 2.551 -8.562 101 2HB ASN 13 1HB ASN 13 -5.588 1.209 -9.061 102 1HD2 ASN 13 1HD2 ASN 13 -6.093 -0.316 -6.521 103 2HD2 ASN 13 2HD2 ASN 13 -7.676 -0.913 -6.658 104 H ASP 14 H ASP 14 -5.066 0.377 -5.014 105 HA ASP 14 HA ASP 14 -7.254 1.828 -3.561 106 1HB ASP 14 2HB ASP 14 -6.873 -0.874 -4.317 107 2HB ASP 14 1HB ASP 14 -6.642 -0.820 -2.569 108 H CYS 15 H CYS 15 -3.921 1.214 -3.573 109 HA CYS 15 HA CYS 15 -3.524 1.093 -0.673 110 1HB CYS 15 2HB CYS 15 -1.671 1.509 -3.036 111 2HB CYS 15 1HB CYS 15 -1.150 1.140 -1.392 112 H CYS 16 H CYS 16 -2.846 2.769 0.661 113 HA CYS 16 HA CYS 16 -3.551 5.468 0.144 114 1HB CYS 16 2HB CYS 16 -2.004 3.881 2.113 115 2HB CYS 16 1HB CYS 16 -1.606 5.598 2.063 116 H LYS 17 H LYS 17 -1.803 7.304 0.243 117 HA LYS 17 HA LYS 17 -0.188 7.256 -2.076 118 1HB LYS 17 2HB LYS 17 -1.084 9.193 -0.609 119 2HB LYS 17 1HB LYS 17 0.357 8.930 0.375 120 1HG LYS 17 2HG LYS 17 1.272 8.942 -2.283 121 2HG LYS 17 1HG LYS 17 0.118 10.271 -2.185 122 1HD LYS 17 2HD LYS 17 1.291 11.203 -0.262 123 2HD LYS 17 1HD LYS 17 2.397 9.828 -0.234 124 1HE LYS 17 2HE LYS 17 3.271 10.444 -2.447 125 2HE LYS 17 1HE LYS 17 2.122 11.794 -2.538 126 1HZ LYS 17 1HZ LYS 17 4.409 12.344 -1.645 127 2HZ LYS 17 2HZ LYS 17 3.987 11.451 -0.263 128 3HZ LYS 17 3HZ LYS 17 3.096 12.834 -0.689 129 H ASP 18 H ASP 18 2.120 7.002 -2.295 130 HA ASP 18 HA ASP 18 4.205 5.992 -1.813 131 1HB ASP 18 2HB ASP 18 3.182 7.268 0.652 132 2HB ASP 18 1HB ASP 18 4.433 6.050 0.909 133 H LEU 19 H LEU 19 1.455 4.530 -1.545 134 HA LEU 19 HA LEU 19 2.563 2.089 -0.204 135 1HB LEU 19 2HB LEU 19 0.692 3.516 0.942 136 2HB LEU 19 1HB LEU 19 -0.364 2.816 -0.284 137 HG LEU 19 HG LEU 19 0.458 0.534 0.438 138 1HD1 LEU 19 1HD1 LEU 19 1.478 2.011 2.875 139 2HD1 LEU 19 2HD1 LEU 19 2.536 1.538 1.547 140 3HD1 LEU 19 3HD1 LEU 19 1.683 0.307 2.476 141 1HD2 LEU 19 1HD2 LEU 19 -1.701 1.316 1.208 142 2HD2 LEU 19 2HD2 LEU 19 -0.949 2.323 2.444 143 3HD2 LEU 19 3HD2 LEU 19 -0.882 0.565 2.578 144 H VAL 20 H VAL 20 2.259 0.178 -1.361 145 HA VAL 20 HA VAL 20 0.615 0.325 -3.860 146 HB VAL 20 HB VAL 20 2.497 -0.866 -4.989 147 1HG1 VAL 20 1HG1 VAL 20 3.454 1.121 -5.543 148 2HG1 VAL 20 2HG1 VAL 20 3.881 1.490 -3.873 149 3HG1 VAL 20 3HG1 VAL 20 2.249 1.812 -4.457 150 1HG2 VAL 20 1HG2 VAL 20 3.917 -1.928 -3.574 151 2HG2 VAL 20 2HG2 VAL 20 3.477 -0.891 -2.219 152 3HG2 VAL 20 3HG2 VAL 20 4.686 -0.352 -3.381 153 H CYS 21 H CYS 21 -0.415 -1.616 -4.391 154 HA CYS 21 HA CYS 21 -0.979 -3.512 -2.337 155 1HB CYS 21 2HB CYS 21 -2.283 -2.857 -4.433 156 2HB CYS 21 1HB CYS 21 -1.187 -3.899 -5.335 157 H SER 22 H SER 22 -0.091 -5.594 -1.933 158 HA SER 22 HA SER 22 2.234 -6.393 -3.648 159 1HB SER 22 2HB SER 22 2.023 -5.991 -0.671 160 2HB SER 22 1HB SER 22 3.232 -7.082 -1.340 161 HG SER 22 HG SER 22 4.086 -5.377 -2.498 162 H SER 23 H SER 23 1.500 -8.305 -4.534 163 HA SER 23 HA SER 23 -0.406 -10.073 -3.421 164 1HB SER 23 2HB SER 23 1.096 -9.790 -5.746 165 2HB SER 23 1HB SER 23 1.662 -11.317 -5.079 166 HG SER 23 HG SER 23 -0.594 -11.895 -4.893 167 H ARG 24 H ARG 24 3.003 -9.658 -2.832 168 HA ARG 24 HA ARG 24 3.422 -12.260 -1.564 169 1HB ARG 24 2HB ARG 24 5.111 -10.741 -2.753 170 2HB ARG 24 1HB ARG 24 5.053 -9.721 -1.316 171 1HG ARG 24 2HG ARG 24 5.437 -12.126 -0.141 172 2HG ARG 24 1HG ARG 24 6.257 -12.413 -1.676 173 1HD ARG 24 2HD ARG 24 8.021 -11.157 -1.015 174 2HD ARG 24 1HD ARG 24 6.953 -9.789 -0.646 175 HE ARG 24 HE ARG 24 6.811 -10.549 1.614 176 1HH1 ARG 24 1HH1 ARG 24 6.666 -13.493 0.444 177 2HH1 ARG 24 2HH1 ARG 24 7.982 -14.197 1.324 178 1HH2 ARG 24 1HH2 ARG 24 9.255 -11.146 2.372 179 2HH2 ARG 24 2HH2 ARG 24 9.448 -12.867 2.417 180 H TRP 25 H TRP 25 3.150 -8.894 -0.451 181 HA TRP 25 HA TRP 25 3.050 -9.670 2.369 182 1HB TRP 25 2HB TRP 25 2.627 -7.103 0.816 183 2HB TRP 25 1HB TRP 25 2.582 -7.189 2.573 184 HD1 TRP 25 HD TRP 25 4.932 -6.814 -0.247 185 HE1 TRP 25 1HE TRP 25 7.369 -6.982 0.582 186 HE3 TRP 25 3HE TRP 25 4.153 -8.606 4.475 187 HZ2 TRP 25 2HZ TRP 25 8.782 -7.757 2.891 188 HZ3 TRP 25 3HZ TRP 25 6.078 -9.050 5.973 189 HH2 TRP 25 HH TRP 25 8.396 -8.630 5.190 190 H LYS 26 H LYS 26 0.825 -9.699 -0.164 191 HA LYS 26 HA LYS 26 -1.486 -10.104 -0.214 192 1HB LYS 26 2HB LYS 26 -2.094 -11.505 1.485 193 2HB LYS 26 1HB LYS 26 -0.409 -11.345 1.958 194 1HG LYS 26 2HG LYS 26 -1.598 -9.132 3.152 195 2HG LYS 26 1HG LYS 26 -2.822 -10.386 3.318 196 1HD LYS 26 2HD LYS 26 0.017 -10.371 4.343 197 2HD LYS 26 1HD LYS 26 -1.480 -10.598 5.243 198 1HE LYS 26 2HE LYS 26 -1.847 -12.765 4.037 199 2HE LYS 26 1HE LYS 26 -0.253 -12.567 3.282 200 1HZ LYS 26 1HZ LYS 26 -0.911 -12.913 6.136 201 2HZ LYS 26 2HZ LYS 26 0.521 -12.118 5.678 202 3HZ LYS 26 3HZ LYS 26 0.249 -13.726 5.203 203 H TRP 27 H TRP 27 -0.434 -7.304 0.226 204 HA TRP 27 HA TRP 27 -2.912 -5.966 0.553 205 1HB TRP 27 2HB TRP 27 -2.530 -5.035 2.861 206 2HB TRP 27 1HB TRP 27 -2.836 -6.765 2.850 207 HD1 TRP 27 HD TRP 27 0.476 -4.875 2.210 208 HE1 TRP 27 1HE TRP 27 2.248 -5.775 3.834 209 HE3 TRP 27 3HE TRP 27 -2.375 -8.098 4.947 210 HZ2 TRP 27 2HZ TRP 27 2.450 -7.566 5.998 211 HZ3 TRP 27 3HZ TRP 27 -1.359 -9.379 6.812 212 HH2 TRP 27 HH TRP 27 1.050 -9.118 7.345 213 H CYS 28 H CYS 28 -2.458 -3.509 1.148 214 HA CYS 28 HA CYS 28 -0.436 -2.532 -0.668 215 1HB CYS 28 2HB CYS 28 -2.148 -1.263 1.495 216 2HB CYS 28 1HB CYS 28 -1.187 -0.336 0.341 217 H VAL 29 H VAL 29 1.727 -2.179 -0.215 218 HA VAL 29 HA VAL 29 2.538 -2.155 2.675 219 HB VAL 29 HB VAL 29 4.609 -3.205 1.875 220 1HG1 VAL 29 1HG1 VAL 29 3.675 -5.350 1.259 221 2HG1 VAL 29 2HG1 VAL 29 2.204 -4.589 0.651 222 3HG1 VAL 29 3HG1 VAL 29 2.552 -4.582 2.382 223 1HG2 VAL 29 1HG2 VAL 29 4.678 -2.083 -0.333 224 2HG2 VAL 29 2HG2 VAL 29 3.293 -3.040 -0.858 225 3HG2 VAL 29 3HG2 VAL 29 4.828 -3.832 -0.503 226 H LEU 30 H LEU 30 4.350 -0.806 3.215 227 HA LEU 30 HA LEU 30 4.321 1.834 2.236 228 1HB LEU 30 2HB LEU 30 6.599 1.890 3.427 229 2HB LEU 30 1HB LEU 30 5.222 1.346 4.383 230 HG LEU 30 HG LEU 30 6.137 -1.006 3.207 231 1HD1 LEU 30 1HD1 LEU 30 8.262 0.917 3.146 232 2HD1 LEU 30 2HD1 LEU 30 8.307 -0.782 2.676 233 3HD1 LEU 30 3HD1 LEU 30 8.651 -0.318 4.343 234 1HD2 LEU 30 1HD2 LEU 30 5.388 -0.778 5.515 235 2HD2 LEU 30 2HD2 LEU 30 6.780 0.235 5.901 236 3HD2 LEU 30 3HD2 LEU 30 7.010 -1.469 5.507 237 H ALA 31 H ALA 31 4.383 1.420 -0.160 238 HA ALA 31 HA ALA 31 5.561 0.943 -2.224 239 1HB ALA 31 1HB ALA 31 5.739 3.397 -1.041 240 2HB ALA 31 2HB ALA 31 6.313 3.045 -2.670 241 3HB ALA 31 3HB ALA 31 7.441 3.032 -1.314 242 H SER 32 H SER 32 6.518 -1.179 -1.020 243 HA SER 32 HA SER 32 9.338 -1.071 -0.314 244 1HB SER 32 2HB SER 32 8.258 -3.654 -1.171 245 2HB SER 32 1HB SER 32 8.860 -3.166 0.410 246 HG SER 32 HG SER 32 6.801 -2.028 0.627 247 HA PRO 33 HA PRO 33 9.910 -2.945 -4.668 248 1HB PRO 33 2HB PRO 33 7.764 -3.002 -6.357 249 2HB PRO 33 1HB PRO 33 8.129 -4.311 -5.217 250 1HG PRO 33 2HG PRO 33 6.102 -2.152 -5.029 251 2HG PRO 33 1HG PRO 33 6.019 -3.832 -4.481 252 1HD PRO 33 2HD PRO 33 6.487 -1.669 -2.843 253 2HD PRO 33 1HD PRO 33 6.943 -3.343 -2.461 254 H PHE 34 H PHE 34 10.807 -0.630 -4.472 255 HA PHE 34 HA PHE 34 9.704 1.041 -6.699 256 1HB PHE 34 2HB PHE 34 9.732 1.555 -3.869 257 2HB PHE 34 1HB PHE 34 10.779 2.723 -4.675 258 HD1 PHE 34 1HD PHE 34 7.339 1.304 -4.615 259 HD2 PHE 34 2HD PHE 34 9.889 4.438 -6.078 260 HE1 PHE 34 1HE PHE 34 5.349 2.555 -5.409 261 HE2 PHE 34 2HE PHE 34 7.899 5.687 -6.870 262 HZ PHE 34 HZ PHE 34 5.630 4.746 -6.535 Start of MODEL 17 1 1H GLU 1 1HT GLU 1 -9.696 4.902 -4.141 2 2H GLU 1 2HT GLU 1 -8.045 4.624 -3.852 3 3H GLU 1 3HT GLU 1 -8.559 6.113 -4.486 4 HA GLU 1 HA GLU 1 -9.292 6.894 -2.476 5 1HB GLU 1 2HB GLU 1 -10.443 4.333 -2.526 6 2HB GLU 1 1HB GLU 1 -9.548 4.406 -1.009 7 1HG GLU 1 2HG GLU 1 -11.111 5.746 -0.109 8 2HG GLU 1 1HG GLU 1 -10.905 6.907 -1.421 9 H CYS 2 H CYS 2 -8.578 5.906 0.032 10 HA CYS 2 HA CYS 2 -5.623 5.445 -0.180 11 1HB CYS 2 2HB CYS 2 -6.574 7.858 0.248 12 2HB CYS 2 1HB CYS 2 -6.872 7.251 1.877 13 H GLY 3 H GLY 3 -5.499 3.375 0.691 14 1HA GLY 3 2HA GLY 3 -7.042 2.834 3.189 15 2HA GLY 3 1HA GLY 3 -6.416 1.587 2.108 16 H LYS 4 H LYS 4 -5.847 1.535 4.856 17 HA LYS 4 HA LYS 4 -3.120 2.626 5.226 18 1HB LYS 4 2HB LYS 4 -4.726 2.771 7.047 19 2HB LYS 4 1HB LYS 4 -5.047 1.039 6.951 20 1HG LYS 4 2HG LYS 4 -3.523 1.398 8.790 21 2HG LYS 4 1HG LYS 4 -2.616 0.639 7.483 22 1HD LYS 4 2HD LYS 4 -1.907 2.948 6.749 23 2HD LYS 4 1HD LYS 4 -2.641 3.573 8.226 24 1HE LYS 4 2HE LYS 4 -1.166 1.939 9.517 25 2HE LYS 4 1HE LYS 4 -0.298 1.663 7.994 26 1HZ LYS 4 1HZ LYS 4 -0.062 4.105 7.801 27 2HZ LYS 4 2HZ LYS 4 0.760 3.462 9.141 28 3HZ LYS 4 3HZ LYS 4 -0.720 4.270 9.356 29 H PHE 5 H PHE 5 -1.329 1.161 5.794 30 HA PHE 5 HA PHE 5 -0.762 -0.920 4.088 31 1HB PHE 5 2HB PHE 5 0.774 0.107 5.735 32 2HB PHE 5 1HB PHE 5 -0.068 -0.732 7.036 33 HD1 PHE 5 1HD PHE 5 -0.134 -3.311 6.979 34 HD2 PHE 5 2HD PHE 5 2.481 -0.967 4.503 35 HE1 PHE 5 1HE PHE 5 1.310 -5.293 6.622 36 HE2 PHE 5 2HE PHE 5 3.922 -2.948 4.150 37 HZ PHE 5 HZ PHE 5 3.340 -5.108 5.206 38 H MET 6 H MET 6 -0.823 -3.256 4.340 39 HA MET 6 HA MET 6 -1.799 -5.307 4.925 40 1HB MET 6 2HB MET 6 -1.944 -3.618 7.255 41 2HB MET 6 1HB MET 6 -3.384 -4.632 7.168 42 1HG MET 6 2HG MET 6 -2.170 -6.603 7.334 43 2HG MET 6 1HG MET 6 -0.711 -5.883 6.652 44 1HE MET 6 1HE MET 6 0.642 -6.856 7.915 45 2HE MET 6 2HE MET 6 0.756 -6.972 9.668 46 3HE MET 6 3HE MET 6 1.462 -5.589 8.834 47 H TRP 7 H TRP 7 -3.427 -2.635 3.885 48 HA TRP 7 HA TRP 7 -6.180 -3.555 4.185 49 1HB TRP 7 2HB TRP 7 -4.673 -1.330 2.904 50 2HB TRP 7 1HB TRP 7 -6.255 -1.699 2.233 51 HD1 TRP 7 HD TRP 7 -5.121 -1.816 5.925 52 HE1 TRP 7 1HE TRP 7 -6.729 -0.299 7.280 53 HE3 TRP 7 3HE TRP 7 -7.950 0.060 2.145 54 HZ2 TRP 7 2HZ TRP 7 -8.901 1.457 6.815 55 HZ3 TRP 7 3HZ TRP 7 -9.793 1.664 2.612 56 HH2 TRP 7 HH TRP 7 -10.271 2.367 4.946 57 H LYS 8 H LYS 8 -7.398 -4.691 2.697 58 HA LYS 8 HA LYS 8 -6.218 -6.426 0.785 59 1HB LYS 8 2HB LYS 8 -8.838 -5.612 1.764 60 2HB LYS 8 1HB LYS 8 -8.883 -5.953 0.034 61 1HG LYS 8 2HG LYS 8 -9.332 -7.987 1.373 62 2HG LYS 8 1HG LYS 8 -7.855 -8.150 0.423 63 1HD LYS 8 2HD LYS 8 -6.950 -7.007 2.775 64 2HD LYS 8 1HD LYS 8 -8.203 -8.117 3.332 65 1HE LYS 8 2HE LYS 8 -7.083 -9.849 1.746 66 2HE LYS 8 1HE LYS 8 -5.691 -8.748 1.785 67 1HZ LYS 8 1HZ LYS 8 -5.746 -8.791 4.189 68 2HZ LYS 8 2HZ LYS 8 -5.607 -10.377 3.597 69 3HZ LYS 8 3HZ LYS 8 -7.100 -9.810 4.178 70 H CYS 9 H CYS 9 -5.632 -6.069 -1.357 71 HA CYS 9 HA CYS 9 -6.656 -3.605 -2.702 72 1HB CYS 9 2HB CYS 9 -4.256 -3.286 -3.454 73 2HB CYS 9 1HB CYS 9 -4.528 -3.047 -1.726 74 H LYS 10 H LYS 10 -5.320 -3.777 -5.046 75 HA LYS 10 HA LYS 10 -5.828 -6.534 -6.104 76 1HB LYS 10 2HB LYS 10 -7.022 -5.528 -7.949 77 2HB LYS 10 1HB LYS 10 -7.688 -4.861 -6.460 78 1HG LYS 10 2HG LYS 10 -5.697 -3.079 -6.935 79 2HG LYS 10 1HG LYS 10 -6.117 -3.528 -8.587 80 1HD LYS 10 2HD LYS 10 -8.223 -2.779 -6.556 81 2HD LYS 10 1HD LYS 10 -7.418 -1.566 -7.553 82 1HE LYS 10 2HE LYS 10 -8.175 -2.686 -9.598 83 2HE LYS 10 1HE LYS 10 -8.920 -3.979 -8.635 84 1HZ LYS 10 1HZ LYS 10 -9.599 -1.088 -8.567 85 2HZ LYS 10 2HZ LYS 10 -10.200 -2.233 -7.464 86 3HZ LYS 10 3HZ LYS 10 -10.591 -2.351 -9.114 87 H ASN 11 H ASN 11 -4.044 -3.516 -6.304 88 HA ASN 11 HA ASN 11 -1.704 -4.745 -7.426 89 1HB ASN 11 2HB ASN 11 -3.655 -4.577 -9.261 90 2HB ASN 11 1HB ASN 11 -2.988 -2.952 -9.436 91 1HD2 ASN 11 1HD2 ASN 11 -1.594 -6.253 -8.955 92 2HD2 ASN 11 2HD2 ASN 11 -0.434 -6.098 -10.185 93 H SER 12 H SER 12 -3.598 -1.744 -7.297 94 HA SER 12 HA SER 12 -1.836 -0.260 -5.712 95 1HB SER 12 2HB SER 12 -0.924 -0.732 -8.420 96 2HB SER 12 1HB SER 12 -1.117 0.994 -8.131 97 HG SER 12 HG SER 12 0.951 0.219 -7.496 98 H ASN 13 H ASN 13 -4.695 -0.519 -6.489 99 HA ASN 13 HA ASN 13 -5.255 2.291 -7.377 100 1HB ASN 13 2HB ASN 13 -6.080 -0.131 -8.391 101 2HB ASN 13 1HB ASN 13 -7.430 0.303 -7.342 102 1HD2 ASN 13 1HD2 ASN 13 -5.583 1.333 -10.194 103 2HD2 ASN 13 2HD2 ASN 13 -6.706 2.495 -10.714 104 H ASP 14 H ASP 14 -5.249 0.265 -4.666 105 HA ASP 14 HA ASP 14 -7.277 2.005 -3.293 106 1HB ASP 14 2HB ASP 14 -8.125 -0.251 -3.617 107 2HB ASP 14 1HB ASP 14 -6.630 -0.944 -2.986 108 H CYS 15 H CYS 15 -4.047 1.346 -3.517 109 HA CYS 15 HA CYS 15 -3.379 1.246 -0.666 110 1HB CYS 15 2HB CYS 15 -1.766 1.655 -3.202 111 2HB CYS 15 1HB CYS 15 -1.071 1.364 -1.609 112 H CYS 16 H CYS 16 -2.811 2.978 0.607 113 HA CYS 16 HA CYS 16 -3.563 5.639 -0.092 114 1HB CYS 16 2HB CYS 16 -2.281 4.167 2.095 115 2HB CYS 16 1HB CYS 16 -1.704 5.827 1.953 116 H LYS 17 H LYS 17 -1.977 7.529 -0.132 117 HA LYS 17 HA LYS 17 -0.171 7.414 -2.259 118 1HB LYS 17 2HB LYS 17 -1.044 9.471 -1.239 119 2HB LYS 17 1HB LYS 17 -0.137 9.140 0.237 120 1HG LYS 17 2HG LYS 17 1.976 9.226 -1.082 121 2HG LYS 17 1HG LYS 17 1.038 9.666 -2.508 122 1HD LYS 17 2HD LYS 17 1.677 11.765 -1.712 123 2HD LYS 17 1HD LYS 17 0.097 11.568 -0.952 124 1HE LYS 17 2HE LYS 17 1.859 10.324 0.833 125 2HE LYS 17 1HE LYS 17 2.715 11.791 0.311 126 1HZ LYS 17 1HZ LYS 17 -0.162 11.937 0.895 127 2HZ LYS 17 2HZ LYS 17 1.023 13.150 1.010 128 3HZ LYS 17 3HZ LYS 17 0.931 11.932 2.192 129 H ASP 18 H ASP 18 2.157 7.188 -2.333 130 HA ASP 18 HA ASP 18 4.223 6.234 -1.687 131 1HB ASP 18 2HB ASP 18 3.002 7.533 0.681 132 2HB ASP 18 1HB ASP 18 4.289 6.380 1.034 133 H LEU 19 H LEU 19 1.643 4.606 -1.769 134 HA LEU 19 HA LEU 19 2.703 2.270 -0.241 135 1HB LEU 19 2HB LEU 19 0.765 3.647 0.841 136 2HB LEU 19 1HB LEU 19 -0.242 2.900 -0.400 137 HG LEU 19 HG LEU 19 0.455 0.658 0.369 138 1HD1 LEU 19 1HD1 LEU 19 2.036 2.259 2.405 139 2HD1 LEU 19 2HD1 LEU 19 2.682 1.155 1.195 140 3HD1 LEU 19 3HD1 LEU 19 1.732 0.529 2.538 141 1HD2 LEU 19 1HD2 LEU 19 -0.457 2.388 2.687 142 2HD2 LEU 19 2HD2 LEU 19 -0.740 0.659 2.487 143 3HD2 LEU 19 3HD2 LEU 19 -1.516 1.812 1.401 144 H VAL 20 H VAL 20 2.395 0.292 -1.310 145 HA VAL 20 HA VAL 20 0.881 0.357 -3.892 146 HB VAL 20 HB VAL 20 2.867 -1.020 -4.764 147 1HG1 VAL 20 1HG1 VAL 20 2.956 1.898 -4.041 148 2HG1 VAL 20 2HG1 VAL 20 2.746 1.154 -5.625 149 3HG1 VAL 20 3HG1 VAL 20 4.332 1.152 -4.854 150 1HG2 VAL 20 1HG2 VAL 20 5.008 -0.542 -3.516 151 2HG2 VAL 20 2HG2 VAL 20 3.898 -1.608 -2.654 152 3HG2 VAL 20 3HG2 VAL 20 4.027 0.089 -2.192 153 H CYS 21 H CYS 21 -0.160 -1.600 -4.380 154 HA CYS 21 HA CYS 21 -0.610 -3.470 -2.205 155 1HB CYS 21 2HB CYS 21 -2.328 -2.855 -3.823 156 2HB CYS 21 1HB CYS 21 -1.329 -3.460 -5.145 157 H SER 22 H SER 22 0.032 -5.689 -2.125 158 HA SER 22 HA SER 22 1.971 -6.619 -4.183 159 1HB SER 22 2HB SER 22 3.225 -5.434 -2.405 160 2HB SER 22 1HB SER 22 2.500 -6.490 -1.199 161 HG SER 22 HG SER 22 3.448 -8.130 -2.928 162 H SER 23 H SER 23 1.329 -8.631 -4.740 163 HA SER 23 HA SER 23 -0.641 -10.146 -3.357 164 1HB SER 23 2HB SER 23 1.288 -10.522 -5.609 165 2HB SER 23 1HB SER 23 0.478 -11.949 -4.971 166 HG SER 23 HG SER 23 -0.618 -9.634 -6.158 167 H ARG 24 H ARG 24 2.809 -9.907 -3.007 168 HA ARG 24 HA ARG 24 3.167 -12.467 -1.635 169 1HB ARG 24 2HB ARG 24 4.845 -10.994 -2.979 170 2HB ARG 24 1HB ARG 24 4.965 -10.046 -1.497 171 1HG ARG 24 2HG ARG 24 5.205 -13.001 -1.223 172 2HG ARG 24 1HG ARG 24 6.559 -12.158 -1.976 173 1HD ARG 24 2HD ARG 24 5.364 -11.150 0.612 174 2HD ARG 24 1HD ARG 24 6.621 -12.403 0.605 175 HE ARG 24 HE ARG 24 6.966 -9.692 -0.619 176 1HH1 ARG 24 1HH1 ARG 24 8.297 -12.779 -0.168 177 2HH1 ARG 24 2HH1 ARG 24 9.878 -12.210 0.254 178 1HH2 ARG 24 1HH2 ARG 24 8.947 -8.870 0.328 179 2HH2 ARG 24 2HH2 ARG 24 10.245 -9.998 0.537 180 H TRP 25 H TRP 25 3.020 -9.041 -0.697 181 HA TRP 25 HA TRP 25 3.041 -9.658 2.166 182 1HB TRP 25 2HB TRP 25 2.536 -7.161 0.517 183 2HB TRP 25 1HB TRP 25 2.626 -7.170 2.276 184 HD1 TRP 25 HD TRP 25 4.753 -6.776 -0.683 185 HE1 TRP 25 1HE TRP 25 7.246 -6.968 -0.056 186 HE3 TRP 25 3HE TRP 25 4.351 -8.708 4.031 187 HZ2 TRP 25 2HZ TRP 25 8.838 -7.809 2.106 188 HZ3 TRP 25 3HZ TRP 25 6.390 -9.195 5.355 189 HH2 TRP 25 HH TRP 25 8.638 -8.750 4.401 190 H LYS 26 H LYS 26 0.717 -9.590 -0.341 191 HA LYS 26 HA LYS 26 -1.596 -10.013 -0.307 192 1HB LYS 26 2HB LYS 26 -2.180 -11.391 1.417 193 2HB LYS 26 1HB LYS 26 -0.484 -11.247 1.867 194 1HG LYS 26 2HG LYS 26 -1.574 -9.008 3.050 195 2HG LYS 26 1HG LYS 26 -2.880 -10.175 3.209 196 1HD LYS 26 2HD LYS 26 -0.072 -10.308 4.294 197 2HD LYS 26 1HD LYS 26 -1.600 -10.508 5.150 198 1HE LYS 26 2HE LYS 26 -1.692 -12.534 3.243 199 2HE LYS 26 1HE LYS 26 0.005 -12.530 3.766 200 1HZ LYS 26 1HZ LYS 26 -2.416 -12.695 5.472 201 2HZ LYS 26 2HZ LYS 26 -0.874 -12.344 6.092 202 3HZ LYS 26 3HZ LYS 26 -1.168 -13.835 5.333 203 H TRP 27 H TRP 27 -0.472 -7.203 0.125 204 HA TRP 27 HA TRP 27 -2.954 -5.858 0.525 205 1HB TRP 27 2HB TRP 27 -2.471 -4.936 2.823 206 2HB TRP 27 1HB TRP 27 -2.785 -6.665 2.810 207 HD1 TRP 27 HD TRP 27 0.497 -4.771 2.053 208 HE1 TRP 27 1HE TRP 27 2.343 -5.694 3.582 209 HE3 TRP 27 3HE TRP 27 -2.225 -8.045 4.873 210 HZ2 TRP 27 2HZ TRP 27 2.644 -7.517 5.700 211 HZ3 TRP 27 3HZ TRP 27 -1.116 -9.353 6.666 212 HH2 TRP 27 HH TRP 27 1.315 -9.095 7.086 213 H CYS 28 H CYS 28 -2.474 -3.397 1.136 214 HA CYS 28 HA CYS 28 -0.537 -2.393 -0.759 215 1HB CYS 28 2HB CYS 28 -2.226 -1.196 1.452 216 2HB CYS 28 1HB CYS 28 -1.233 -0.207 0.379 217 H VAL 29 H VAL 29 1.606 -2.871 -0.270 218 HA VAL 29 HA VAL 29 2.577 -2.649 2.510 219 HB VAL 29 HB VAL 29 4.585 -3.616 1.570 220 1HG1 VAL 29 1HG1 VAL 29 3.025 -5.339 1.885 221 2HG1 VAL 29 2HG1 VAL 29 3.443 -5.537 0.184 222 3HG1 VAL 29 3HG1 VAL 29 1.946 -4.721 0.634 223 1HG2 VAL 29 1HG2 VAL 29 3.397 -2.568 -0.954 224 2HG2 VAL 29 2HG2 VAL 29 4.304 -4.077 -1.063 225 3HG2 VAL 29 3HG2 VAL 29 5.084 -2.623 -0.443 226 H LEU 30 H LEU 30 4.123 -1.151 3.196 227 HA LEU 30 HA LEU 30 4.123 1.471 2.310 228 1HB LEU 30 2HB LEU 30 6.480 1.471 3.383 229 2HB LEU 30 1HB LEU 30 5.131 0.946 4.387 230 HG LEU 30 HG LEU 30 5.976 -1.387 3.073 231 1HD1 LEU 30 1HD1 LEU 30 8.111 -0.929 2.451 232 2HD1 LEU 30 2HD1 LEU 30 8.469 -1.064 4.172 233 3HD1 LEU 30 3HD1 LEU 30 8.188 0.521 3.452 234 1HD2 LEU 30 1HD2 LEU 30 5.388 -0.550 5.616 235 2HD2 LEU 30 2HD2 LEU 30 7.118 -0.870 5.746 236 3HD2 LEU 30 3HD2 LEU 30 6.021 -2.147 5.219 237 H ALA 31 H ALA 31 5.053 2.564 0.587 238 HA ALA 31 HA ALA 31 6.194 1.062 -1.605 239 1HB ALA 31 1HB ALA 31 6.522 4.021 -1.326 240 2HB ALA 31 2HB ALA 31 4.882 3.377 -1.363 241 3HB ALA 31 3HB ALA 31 5.975 3.082 -2.715 242 H SER 32 H SER 32 7.843 0.332 0.416 243 HA SER 32 HA SER 32 10.353 1.876 -0.144 244 1HB SER 32 2HB SER 32 9.783 0.498 2.472 245 2HB SER 32 1HB SER 32 10.886 1.832 2.146 246 HG SER 32 HG SER 32 9.297 3.116 2.594 247 HA PRO 33 HA PRO 33 12.181 -2.000 -1.061 248 1HB PRO 33 2HB PRO 33 14.711 -1.691 -0.066 249 2HB PRO 33 1HB PRO 33 14.139 -0.851 -1.521 250 1HG PRO 33 2HG PRO 33 14.450 0.167 1.253 251 2HG PRO 33 1HG PRO 33 14.730 0.987 -0.291 252 1HD PRO 33 2HD PRO 33 12.498 1.349 1.263 253 2HD PRO 33 1HD PRO 33 12.548 1.622 -0.492 254 H PHE 34 H PHE 34 10.824 -3.234 0.477 255 HA PHE 34 HA PHE 34 10.574 -4.769 2.258 256 1HB PHE 34 2HB PHE 34 12.900 -5.274 1.202 257 2HB PHE 34 1HB PHE 34 13.555 -4.469 2.628 258 HD1 PHE 34 1HD PHE 34 11.557 -7.341 1.429 259 HD2 PHE 34 2HD PHE 34 13.423 -5.479 4.821 260 HE1 PHE 34 1HE PHE 34 11.220 -9.411 2.750 261 HE2 PHE 34 2HE PHE 34 13.084 -7.549 6.143 262 HZ PHE 34 HZ PHE 34 11.983 -9.517 5.108 Start of MODEL 18 1 1H GLU 1 1HT GLU 1 -9.293 2.689 -2.169 2 2H GLU 1 2HT GLU 1 -10.451 3.393 -3.195 3 3H GLU 1 3HT GLU 1 -10.803 3.152 -1.550 4 HA GLU 1 HA GLU 1 -9.320 5.297 -2.826 5 1HB GLU 1 2HB GLU 1 -10.644 5.017 -0.115 6 2HB GLU 1 1HB GLU 1 -10.392 6.497 -1.042 7 1HG GLU 1 2HG GLU 1 -11.842 4.582 -2.642 8 2HG GLU 1 1HG GLU 1 -12.660 4.814 -1.096 9 H CYS 2 H CYS 2 -7.994 6.596 -1.022 10 HA CYS 2 HA CYS 2 -5.540 5.394 -0.543 11 1HB CYS 2 2HB CYS 2 -6.496 7.803 -0.150 12 2HB CYS 2 1HB CYS 2 -6.801 7.227 1.489 13 H GLY 3 H GLY 3 -5.722 3.213 0.181 14 1HA GLY 3 2HA GLY 3 -7.099 2.723 2.761 15 2HA GLY 3 1HA GLY 3 -6.467 1.482 1.678 16 H LYS 4 H LYS 4 -5.944 1.732 4.546 17 HA LYS 4 HA LYS 4 -3.177 2.712 4.789 18 1HB LYS 4 2HB LYS 4 -5.386 2.305 6.455 19 2HB LYS 4 1HB LYS 4 -4.232 1.069 6.957 20 1HG LYS 4 2HG LYS 4 -2.808 3.517 6.514 21 2HG LYS 4 1HG LYS 4 -4.183 3.852 7.565 22 1HD LYS 4 2HD LYS 4 -2.991 1.374 8.382 23 2HD LYS 4 1HD LYS 4 -1.725 2.597 8.261 24 1HE LYS 4 2HE LYS 4 -4.295 3.381 9.589 25 2HE LYS 4 1HE LYS 4 -3.153 2.366 10.495 26 1HZ LYS 4 1HZ LYS 4 -2.321 4.794 9.010 27 2HZ LYS 4 2HZ LYS 4 -1.423 3.909 10.149 28 3HZ LYS 4 3HZ LYS 4 -2.757 4.834 10.648 29 H PHE 5 H PHE 5 -1.436 1.231 5.535 30 HA PHE 5 HA PHE 5 -0.849 -0.917 3.923 31 1HB PHE 5 2HB PHE 5 0.701 0.073 5.519 32 2HB PHE 5 1HB PHE 5 -0.257 -0.532 6.870 33 HD1 PHE 5 1HD PHE 5 -0.227 -2.899 7.489 34 HD2 PHE 5 2HD PHE 5 2.036 -1.461 4.131 35 HE1 PHE 5 1HE PHE 5 1.056 -5.017 7.442 36 HE2 PHE 5 2HE PHE 5 3.313 -3.580 4.087 37 HZ PHE 5 HZ PHE 5 2.826 -5.353 5.741 38 H MET 6 H MET 6 -1.009 -3.226 4.176 39 HA MET 6 HA MET 6 -2.006 -5.253 4.835 40 1HB MET 6 2HB MET 6 -1.740 -3.928 7.112 41 2HB MET 6 1HB MET 6 -3.497 -3.817 7.002 42 1HG MET 6 2HG MET 6 -3.753 -6.180 7.013 43 2HG MET 6 1HG MET 6 -2.043 -6.445 6.673 44 1HE MET 6 1HE MET 6 -0.565 -6.999 7.936 45 2HE MET 6 2HE MET 6 -0.464 -7.074 9.693 46 3HE MET 6 3HE MET 6 -0.031 -5.585 8.855 47 H TRP 7 H TRP 7 -3.595 -2.545 3.728 48 HA TRP 7 HA TRP 7 -6.350 -3.493 3.891 49 1HB TRP 7 2HB TRP 7 -4.804 -1.257 2.659 50 2HB TRP 7 1HB TRP 7 -6.372 -1.629 1.956 51 HD1 TRP 7 HD TRP 7 -5.369 -1.781 5.684 52 HE1 TRP 7 1HE TRP 7 -6.978 -0.223 6.987 53 HE3 TRP 7 3HE TRP 7 -8.004 0.204 1.815 54 HZ2 TRP 7 2HZ TRP 7 -9.078 1.598 6.459 55 HZ3 TRP 7 3HZ TRP 7 -9.815 1.856 2.229 56 HH2 TRP 7 HH TRP 7 -10.356 2.559 4.547 57 H LYS 8 H LYS 8 -7.279 -4.974 2.524 58 HA LYS 8 HA LYS 8 -5.970 -6.504 0.584 59 1HB LYS 8 2HB LYS 8 -8.833 -5.605 0.965 60 2HB LYS 8 1HB LYS 8 -8.394 -6.715 -0.333 61 1HG LYS 8 2HG LYS 8 -7.982 -8.446 1.101 62 2HG LYS 8 1HG LYS 8 -7.315 -7.388 2.345 63 1HD LYS 8 2HD LYS 8 -9.940 -6.592 2.304 64 2HD LYS 8 1HD LYS 8 -10.088 -8.316 1.960 65 1HE LYS 8 2HE LYS 8 -8.839 -8.887 3.971 66 2HE LYS 8 1HE LYS 8 -8.491 -7.175 4.281 67 1HZ LYS 8 1HZ LYS 8 -11.274 -7.657 3.815 68 2HZ LYS 8 2HZ LYS 8 -10.520 -6.849 5.105 69 3HZ LYS 8 3HZ LYS 8 -10.700 -8.537 5.147 70 H CYS 9 H CYS 9 -5.380 -6.119 -1.558 71 HA CYS 9 HA CYS 9 -6.285 -3.521 -2.756 72 1HB CYS 9 2HB CYS 9 -3.930 -3.435 -3.659 73 2HB CYS 9 1HB CYS 9 -4.036 -3.324 -1.902 74 H LYS 10 H LYS 10 -6.405 -3.491 -5.051 75 HA LYS 10 HA LYS 10 -6.781 -6.169 -6.309 76 1HB LYS 10 2HB LYS 10 -8.020 -4.810 -7.979 77 2HB LYS 10 1HB LYS 10 -8.607 -4.493 -6.345 78 1HG LYS 10 2HG LYS 10 -7.423 -2.427 -6.213 79 2HG LYS 10 1HG LYS 10 -6.467 -2.802 -7.647 80 1HD LYS 10 2HD LYS 10 -8.373 -1.164 -8.021 81 2HD LYS 10 1HD LYS 10 -8.373 -2.571 -9.086 82 1HE LYS 10 2HE LYS 10 -10.018 -3.690 -7.592 83 2HE LYS 10 1HE LYS 10 -10.052 -2.239 -6.572 84 1HZ LYS 10 1HZ LYS 10 -10.643 -0.936 -8.537 85 2HZ LYS 10 2HZ LYS 10 -11.807 -2.131 -8.218 86 3HZ LYS 10 3HZ LYS 10 -10.682 -2.348 -9.474 87 H ASN 11 H ASN 11 -4.882 -3.248 -6.393 88 HA ASN 11 HA ASN 11 -2.756 -4.444 -7.937 89 1HB ASN 11 2HB ASN 11 -4.961 -3.605 -9.404 90 2HB ASN 11 1HB ASN 11 -3.844 -2.246 -9.543 91 1HD2 ASN 11 1HD2 ASN 11 -3.379 -2.766 -11.810 92 2HD2 ASN 11 2HD2 ASN 11 -2.425 -4.108 -12.222 93 H SER 12 H SER 12 -4.354 -1.505 -6.790 94 HA SER 12 HA SER 12 -2.204 -0.453 -5.358 95 1HB SER 12 2HB SER 12 -1.936 -0.278 -8.248 96 2HB SER 12 1HB SER 12 -1.869 1.315 -7.502 97 HG SER 12 HG SER 12 -0.105 0.743 -6.402 98 H ASN 13 H ASN 13 -5.066 0.114 -7.267 99 HA ASN 13 HA ASN 13 -5.560 2.858 -6.728 100 1HB ASN 13 2HB ASN 13 -7.100 0.412 -7.454 101 2HB ASN 13 1HB ASN 13 -8.032 1.793 -6.876 102 1HD2 ASN 13 1HD2 ASN 13 -7.765 0.647 -9.686 103 2HD2 ASN 13 2HD2 ASN 13 -7.273 1.961 -10.641 104 H ASP 14 H ASP 14 -5.489 0.205 -4.557 105 HA ASP 14 HA ASP 14 -7.265 1.610 -2.604 106 1HB ASP 14 2HB ASP 14 -6.464 -1.162 -3.230 107 2HB ASP 14 1HB ASP 14 -6.569 -0.806 -1.506 108 H CYS 15 H CYS 15 -3.946 1.060 -3.317 109 HA CYS 15 HA CYS 15 -2.972 1.183 -0.561 110 1HB CYS 15 2HB CYS 15 -1.592 1.532 -3.239 111 2HB CYS 15 1HB CYS 15 -0.802 1.174 -1.702 112 H CYS 16 H CYS 16 -2.600 3.012 0.585 113 HA CYS 16 HA CYS 16 -3.278 5.630 -0.348 114 1HB CYS 16 2HB CYS 16 -2.101 4.306 2.013 115 2HB CYS 16 1HB CYS 16 -1.618 5.989 1.807 116 H LYS 17 H LYS 17 -1.598 7.482 -0.264 117 HA LYS 17 HA LYS 17 0.265 7.347 -2.312 118 1HB LYS 17 2HB LYS 17 -0.613 9.322 -0.929 119 2HB LYS 17 1HB LYS 17 0.650 8.930 0.237 120 1HG LYS 17 2HG LYS 17 1.644 10.559 -1.166 121 2HG LYS 17 1HG LYS 17 2.273 9.025 -1.771 122 1HD LYS 17 2HD LYS 17 0.306 9.034 -3.411 123 2HD LYS 17 1HD LYS 17 0.060 10.717 -2.945 124 1HE LYS 17 2HE LYS 17 1.534 11.117 -4.667 125 2HE LYS 17 1HE LYS 17 2.753 10.717 -3.440 126 1HZ LYS 17 1HZ LYS 17 2.261 8.309 -4.095 127 2HZ LYS 17 2HZ LYS 17 3.206 9.235 -5.160 128 3HZ LYS 17 3HZ LYS 17 1.564 8.959 -5.497 129 H ASP 18 H ASP 18 2.525 6.885 -2.400 130 HA ASP 18 HA ASP 18 4.516 5.761 -1.809 131 1HB ASP 18 2HB ASP 18 3.432 6.967 0.715 132 2HB ASP 18 1HB ASP 18 4.822 5.887 0.827 133 H LEU 19 H LEU 19 1.621 4.477 -1.533 134 HA LEU 19 HA LEU 19 2.586 1.991 -0.158 135 1HB LEU 19 2HB LEU 19 0.659 3.567 0.794 136 2HB LEU 19 1HB LEU 19 -0.319 2.710 -0.396 137 HG LEU 19 HG LEU 19 0.509 0.541 0.592 138 1HD1 LEU 19 1HD1 LEU 19 2.548 1.630 1.640 139 2HD1 LEU 19 2HD1 LEU 19 1.648 0.561 2.712 140 3HD1 LEU 19 3HD1 LEU 19 1.471 2.308 2.858 141 1HD2 LEU 19 1HD2 LEU 19 -0.876 0.765 2.690 142 2HD2 LEU 19 2HD2 LEU 19 -1.679 1.357 1.236 143 3HD2 LEU 19 3HD2 LEU 19 -0.969 2.498 2.378 144 H VAL 20 H VAL 20 2.147 0.043 -1.273 145 HA VAL 20 HA VAL 20 0.663 0.247 -3.854 146 HB VAL 20 HB VAL 20 2.600 -0.990 -4.896 147 1HG1 VAL 20 1HG1 VAL 20 3.884 1.455 -3.879 148 2HG1 VAL 20 2HG1 VAL 20 2.244 1.706 -4.476 149 3HG1 VAL 20 3HG1 VAL 20 3.470 1.008 -5.534 150 1HG2 VAL 20 1HG2 VAL 20 4.786 -0.617 -3.526 151 2HG2 VAL 20 2HG2 VAL 20 3.742 -1.969 -3.086 152 3HG2 VAL 20 3HG2 VAL 20 3.706 -0.483 -2.139 153 H CYS 21 H CYS 21 -0.191 -1.773 -4.563 154 HA CYS 21 HA CYS 21 -0.837 -3.680 -2.498 155 1HB CYS 21 2HB CYS 21 -2.268 -3.136 -4.423 156 2HB CYS 21 1HB CYS 21 -1.044 -3.758 -5.527 157 H SER 22 H SER 22 0.108 -5.707 -2.082 158 HA SER 22 HA SER 22 2.409 -6.521 -3.821 159 1HB SER 22 2HB SER 22 3.608 -5.598 -2.087 160 2HB SER 22 1HB SER 22 2.281 -5.780 -0.943 161 HG SER 22 HG SER 22 3.735 -7.974 -1.994 162 H SER 23 H SER 23 2.045 -8.592 -4.478 163 HA SER 23 HA SER 23 0.046 -10.303 -3.344 164 1HB SER 23 2HB SER 23 1.008 -10.201 -5.721 165 2HB SER 23 1HB SER 23 2.390 -11.088 -5.085 166 HG SER 23 HG SER 23 0.777 -12.477 -5.938 167 H ARG 24 H ARG 24 3.410 -9.741 -2.688 168 HA ARG 24 HA ARG 24 3.910 -12.280 -1.322 169 1HB ARG 24 2HB ARG 24 5.498 -10.551 -2.514 170 2HB ARG 24 1HB ARG 24 5.464 -9.727 -0.957 171 1HG ARG 24 2HG ARG 24 6.033 -12.679 -1.081 172 2HG ARG 24 1HG ARG 24 7.322 -11.516 -1.397 173 1HD ARG 24 2HD ARG 24 6.240 -10.437 0.863 174 2HD ARG 24 1HD ARG 24 5.969 -12.166 1.157 175 HE ARG 24 HE ARG 24 8.571 -10.855 1.018 176 1HH1 ARG 24 1HH1 ARG 24 6.903 -13.668 1.746 177 2HH1 ARG 24 2HH1 ARG 24 8.211 -14.747 1.395 178 1HH2 ARG 24 1HH2 ARG 24 10.229 -12.284 0.023 179 2HH2 ARG 24 2HH2 ARG 24 10.094 -13.964 0.422 180 H TRP 25 H TRP 25 3.123 -8.952 -0.424 181 HA TRP 25 HA TRP 25 3.044 -9.648 2.453 182 1HB TRP 25 2HB TRP 25 2.617 -7.102 0.858 183 2HB TRP 25 1HB TRP 25 2.577 -7.181 2.620 184 HD1 TRP 25 HD TRP 25 4.899 -6.474 -0.071 185 HE1 TRP 25 1HE TRP 25 7.346 -6.733 0.695 186 HE3 TRP 25 3HE TRP 25 4.209 -9.008 4.316 187 HZ2 TRP 25 2HZ TRP 25 8.802 -7.843 2.832 188 HZ3 TRP 25 3HZ TRP 25 6.162 -9.656 5.700 189 HH2 TRP 25 HH TRP 25 8.463 -9.078 4.965 190 H LYS 26 H LYS 26 0.950 -9.544 -0.247 191 HA LYS 26 HA LYS 26 -1.339 -10.076 -0.415 192 1HB LYS 26 2HB LYS 26 -2.019 -11.473 1.253 193 2HB LYS 26 1HB LYS 26 -0.392 -11.240 1.880 194 1HG LYS 26 2HG LYS 26 -1.665 -9.056 2.924 195 2HG LYS 26 1HG LYS 26 -2.973 -10.232 2.915 196 1HD LYS 26 2HD LYS 26 -0.297 -10.403 4.304 197 2HD LYS 26 1HD LYS 26 -1.908 -10.496 5.015 198 1HE LYS 26 2HE LYS 26 -0.916 -12.567 3.030 199 2HE LYS 26 1HE LYS 26 -0.710 -12.741 4.782 200 1HZ LYS 26 1HZ LYS 26 -2.986 -12.712 5.143 201 2HZ LYS 26 2HZ LYS 26 -2.854 -13.644 3.727 202 3HZ LYS 26 3HZ LYS 26 -3.331 -12.016 3.635 203 H TRP 27 H TRP 27 -0.326 -7.234 0.129 204 HA TRP 27 HA TRP 27 -2.869 -5.953 0.259 205 1HB TRP 27 2HB TRP 27 -2.636 -5.004 2.585 206 2HB TRP 27 1HB TRP 27 -2.905 -6.742 2.554 207 HD1 TRP 27 HD TRP 27 0.399 -4.774 2.096 208 HE1 TRP 27 1HE TRP 27 2.109 -5.657 3.797 209 HE3 TRP 27 3HE TRP 27 -2.515 -8.091 4.660 210 HZ2 TRP 27 2HZ TRP 27 2.241 -7.468 5.947 211 HZ3 TRP 27 3HZ TRP 27 -1.559 -9.372 6.556 212 HH2 TRP 27 HH TRP 27 0.813 -9.068 7.207 213 H CYS 28 H CYS 28 -2.489 -3.485 0.972 214 HA CYS 28 HA CYS 28 -0.455 -2.406 -0.771 215 1HB CYS 28 2HB CYS 28 -2.268 -1.288 1.389 216 2HB CYS 28 1HB CYS 28 -1.251 -0.263 0.372 217 H VAL 29 H VAL 29 1.695 -2.643 -0.220 218 HA VAL 29 HA VAL 29 2.480 -2.668 2.633 219 HB VAL 29 HB VAL 29 4.716 -3.253 1.565 220 1HG1 VAL 29 1HG1 VAL 29 3.724 -5.208 2.185 221 2HG1 VAL 29 2HG1 VAL 29 3.468 -5.410 0.451 222 3HG1 VAL 29 3HG1 VAL 29 2.177 -4.765 1.464 223 1HG2 VAL 29 1HG2 VAL 29 3.778 -2.099 -0.659 224 2HG2 VAL 29 2HG2 VAL 29 3.216 -3.741 -0.977 225 3HG2 VAL 29 3HG2 VAL 29 4.934 -3.430 -0.733 226 H LEU 30 H LEU 30 4.222 -1.324 3.421 227 HA LEU 30 HA LEU 30 3.993 1.460 2.753 228 1HB LEU 30 2HB LEU 30 6.115 -0.077 4.286 229 2HB LEU 30 1HB LEU 30 5.805 1.656 4.413 230 HG LEU 30 HG LEU 30 3.681 -0.429 4.971 231 1HD1 LEU 30 1HD1 LEU 30 5.689 0.874 6.825 232 2HD1 LEU 30 2HD1 LEU 30 5.391 -0.849 6.594 233 3HD1 LEU 30 3HD1 LEU 30 4.186 0.153 7.403 234 1HD2 LEU 30 1HD2 LEU 30 2.613 1.627 4.643 235 2HD2 LEU 30 2HD2 LEU 30 3.974 2.549 5.282 236 3HD2 LEU 30 3HD2 LEU 30 2.915 1.664 6.380 237 H ALA 31 H ALA 31 4.522 1.655 0.483 238 HA ALA 31 HA ALA 31 7.112 0.712 -0.516 239 1HB ALA 31 1HB ALA 31 4.713 2.199 -1.537 240 2HB ALA 31 2HB ALA 31 5.431 0.703 -2.133 241 3HB ALA 31 3HB ALA 31 6.204 2.251 -2.478 242 H SER 32 H SER 32 7.710 2.282 1.639 243 HA SER 32 HA SER 32 9.511 4.230 0.638 244 1HB SER 32 2HB SER 32 6.739 5.006 0.671 245 2HB SER 32 1HB SER 32 7.629 6.007 1.814 246 HG SER 32 HG SER 32 9.212 5.996 -0.131 247 HA PRO 33 HA PRO 33 10.704 4.213 4.857 248 1HB PRO 33 2HB PRO 33 11.802 6.702 5.169 249 2HB PRO 33 1HB PRO 33 12.586 5.411 4.237 250 1HG PRO 33 2HG PRO 33 11.019 7.752 3.280 251 2HG PRO 33 1HG PRO 33 12.472 7.008 2.595 252 1HD PRO 33 2HD PRO 33 9.956 6.598 1.615 253 2HD PRO 33 1HD PRO 33 11.279 5.422 1.456 254 H PHE 34 H PHE 34 8.422 4.185 5.631 255 HA PHE 34 HA PHE 34 7.153 6.755 6.304 256 1HB PHE 34 2HB PHE 34 6.417 4.046 5.854 257 2HB PHE 34 1HB PHE 34 5.933 4.445 7.503 258 HD1 PHE 34 1HD PHE 34 4.833 6.868 7.761 259 HD2 PHE 34 2HD PHE 34 4.944 4.577 4.130 260 HE1 PHE 34 1HE PHE 34 2.909 8.164 6.886 261 HE2 PHE 34 2HE PHE 34 3.020 5.873 3.253 262 HZ PHE 34 HZ PHE 34 2.003 7.667 4.631 Start of MODEL 19 1 1H GLU 1 1HT GLU 1 -10.446 3.296 -1.904 2 2H GLU 1 2HT GLU 1 -8.910 3.332 -2.629 3 3H GLU 1 3HT GLU 1 -10.209 4.163 -3.343 4 HA GLU 1 HA GLU 1 -9.408 5.969 -2.291 5 1HB GLU 1 2HB GLU 1 -10.438 4.459 0.128 6 2HB GLU 1 1HB GLU 1 -10.471 6.203 -0.135 7 1HG GLU 1 2HG GLU 1 -11.764 4.807 -2.326 8 2HG GLU 1 1HG GLU 1 -12.499 4.370 -0.783 9 H CYS 2 H CYS 2 -8.186 6.698 -0.095 10 HA CYS 2 HA CYS 2 -5.546 5.579 -0.202 11 1HB CYS 2 2HB CYS 2 -6.473 7.896 0.555 12 2HB CYS 2 1HB CYS 2 -6.695 7.119 2.121 13 H GLY 3 H GLY 3 -5.850 3.269 0.194 14 1HA GLY 3 2HA GLY 3 -7.015 2.412 2.739 15 2HA GLY 3 1HA GLY 3 -6.262 1.359 1.541 16 H LYS 4 H LYS 4 -5.885 1.802 4.571 17 HA LYS 4 HA LYS 4 -3.128 2.748 4.827 18 1HB LYS 4 2HB LYS 4 -5.360 2.368 6.453 19 2HB LYS 4 1HB LYS 4 -4.235 1.122 6.993 20 1HG LYS 4 2HG LYS 4 -2.818 3.600 6.551 21 2HG LYS 4 1HG LYS 4 -4.177 3.870 7.643 22 1HD LYS 4 2HD LYS 4 -2.818 1.385 8.284 23 2HD LYS 4 1HD LYS 4 -1.692 2.743 8.311 24 1HE LYS 4 2HE LYS 4 -3.472 3.980 9.713 25 2HE LYS 4 1HE LYS 4 -4.226 2.387 9.929 26 1HZ LYS 4 1HZ LYS 4 -2.611 1.753 11.304 27 2HZ LYS 4 2HZ LYS 4 -2.085 3.367 11.342 28 3HZ LYS 4 3HZ LYS 4 -1.391 2.271 10.245 29 H PHE 5 H PHE 5 -1.393 1.305 5.655 30 HA PHE 5 HA PHE 5 -0.725 -0.870 4.110 31 1HB PHE 5 2HB PHE 5 0.713 0.253 5.768 32 2HB PHE 5 1HB PHE 5 -0.228 -0.463 7.075 33 HD1 PHE 5 1HD PHE 5 1.384 -1.667 3.895 34 HD2 PHE 5 2HD PHE 5 0.770 -2.291 8.100 35 HE1 PHE 5 1HE PHE 5 2.799 -3.702 3.801 36 HE2 PHE 5 2HE PHE 5 2.185 -4.324 8.006 37 HZ PHE 5 HZ PHE 5 3.201 -5.028 5.856 38 H MET 6 H MET 6 -0.952 -3.149 4.310 39 HA MET 6 HA MET 6 -1.932 -5.194 4.957 40 1HB MET 6 2HB MET 6 -3.294 -3.659 7.175 41 2HB MET 6 1HB MET 6 -2.820 -5.355 7.155 42 1HG MET 6 2HG MET 6 -0.400 -4.409 6.840 43 2HG MET 6 1HG MET 6 -1.091 -2.921 7.490 44 1HE MET 6 1HE MET 6 -1.617 -6.999 9.370 45 2HE MET 6 2HE MET 6 -0.024 -6.775 8.656 46 3HE MET 6 3HE MET 6 -1.463 -6.543 7.668 47 H TRP 7 H TRP 7 -3.535 -2.496 3.866 48 HA TRP 7 HA TRP 7 -6.284 -3.444 4.103 49 1HB TRP 7 2HB TRP 7 -4.786 -1.208 2.819 50 2HB TRP 7 1HB TRP 7 -6.371 -1.594 2.164 51 HD1 TRP 7 HD TRP 7 -5.229 -1.708 5.853 52 HE1 TRP 7 1HE TRP 7 -6.821 -0.184 7.210 53 HE3 TRP 7 3HE TRP 7 -8.061 0.181 2.079 54 HZ2 TRP 7 2HZ TRP 7 -8.985 1.581 6.754 55 HZ3 TRP 7 3HZ TRP 7 -9.898 1.791 2.556 56 HH2 TRP 7 HH TRP 7 -10.362 2.495 4.892 57 H LYS 8 H LYS 8 -7.234 -4.941 2.799 58 HA LYS 8 HA LYS 8 -5.964 -6.454 0.804 59 1HB LYS 8 2HB LYS 8 -8.628 -5.985 1.874 60 2HB LYS 8 1HB LYS 8 -8.695 -6.307 0.140 61 1HG LYS 8 2HG LYS 8 -8.318 -8.494 0.503 62 2HG LYS 8 1HG LYS 8 -6.815 -8.113 1.344 63 1HD LYS 8 2HD LYS 8 -8.493 -7.458 3.306 64 2HD LYS 8 1HD LYS 8 -9.544 -8.599 2.466 65 1HE LYS 8 2HE LYS 8 -8.419 -10.101 3.822 66 2HE LYS 8 1HE LYS 8 -7.255 -10.047 2.483 67 1HZ LYS 8 1HZ LYS 8 -7.091 -8.840 5.123 68 2HZ LYS 8 2HZ LYS 8 -6.567 -7.861 3.837 69 3HZ LYS 8 3HZ LYS 8 -5.850 -9.378 4.101 70 H CYS 9 H CYS 9 -5.663 -6.144 -1.409 71 HA CYS 9 HA CYS 9 -6.845 -3.709 -2.667 72 1HB CYS 9 2HB CYS 9 -4.468 -3.366 -3.579 73 2HB CYS 9 1HB CYS 9 -4.711 -3.016 -1.868 74 H LYS 10 H LYS 10 -5.630 -3.825 -5.084 75 HA LYS 10 HA LYS 10 -6.171 -6.585 -6.126 76 1HB LYS 10 2HB LYS 10 -7.345 -5.538 -7.970 77 2HB LYS 10 1HB LYS 10 -7.991 -4.863 -6.475 78 1HG LYS 10 2HG LYS 10 -6.467 -2.918 -6.713 79 2HG LYS 10 1HG LYS 10 -5.880 -3.582 -8.237 80 1HD LYS 10 2HD LYS 10 -8.829 -3.154 -7.820 81 2HD LYS 10 1HD LYS 10 -7.798 -1.803 -8.292 82 1HE LYS 10 2HE LYS 10 -8.178 -2.547 -10.423 83 2HE LYS 10 1HE LYS 10 -6.977 -3.793 -10.028 84 1HZ LYS 10 1HZ LYS 10 -8.953 -4.908 -10.707 85 2HZ LYS 10 2HZ LYS 10 -9.922 -3.959 -9.682 86 3HZ LYS 10 3HZ LYS 10 -8.834 -5.087 -9.024 87 H ASN 11 H ASN 11 -4.396 -3.553 -6.434 88 HA ASN 11 HA ASN 11 -2.083 -4.884 -7.576 89 1HB ASN 11 2HB ASN 11 -4.193 -4.171 -9.303 90 2HB ASN 11 1HB ASN 11 -2.936 -2.962 -9.564 91 1HD2 ASN 11 1HD2 ASN 11 -3.351 -4.671 -11.682 92 2HD2 ASN 11 2HD2 ASN 11 -2.104 -5.817 -11.790 93 H SER 12 H SER 12 -3.794 -1.768 -7.311 94 HA SER 12 HA SER 12 -1.931 -0.474 -5.665 95 1HB SER 12 2HB SER 12 -0.997 -0.967 -8.328 96 2HB SER 12 1HB SER 12 -1.183 0.771 -8.121 97 HG SER 12 HG SER 12 0.424 -1.056 -6.706 98 H ASN 13 H ASN 13 -4.785 -0.483 -6.367 99 HA ASN 13 HA ASN 13 -5.140 2.394 -7.142 100 1HB ASN 13 2HB ASN 13 -6.662 -0.148 -7.640 101 2HB ASN 13 1HB ASN 13 -7.531 1.388 -7.643 102 1HD2 ASN 13 1HD2 ASN 13 -5.241 -0.587 -9.421 103 2HD2 ASN 13 2HD2 ASN 13 -5.081 0.454 -10.752 104 H ASP 14 H ASP 14 -5.175 0.327 -4.525 105 HA ASP 14 HA ASP 14 -7.216 2.004 -3.097 106 1HB ASP 14 2HB ASP 14 -7.707 -0.475 -3.638 107 2HB ASP 14 1HB ASP 14 -6.468 -0.850 -2.438 108 H CYS 15 H CYS 15 -3.953 1.256 -3.346 109 HA CYS 15 HA CYS 15 -3.261 1.216 -0.511 110 1HB CYS 15 2HB CYS 15 -1.642 1.666 -3.037 111 2HB CYS 15 1HB CYS 15 -0.982 1.254 -1.453 112 H CYS 16 H CYS 16 -2.650 2.941 0.751 113 HA CYS 16 HA CYS 16 -3.380 5.616 0.056 114 1HB CYS 16 2HB CYS 16 -2.112 4.122 2.243 115 2HB CYS 16 1HB CYS 16 -1.540 5.784 2.111 116 H LYS 17 H LYS 17 -1.602 7.432 0.315 117 HA LYS 17 HA LYS 17 0.090 7.467 -1.910 118 1HB LYS 17 2HB LYS 17 -0.677 9.345 -0.370 119 2HB LYS 17 1HB LYS 17 0.596 8.841 0.741 120 1HG LYS 17 2HG LYS 17 2.272 9.163 -1.067 121 2HG LYS 17 1HG LYS 17 0.987 9.742 -2.127 122 1HD LYS 17 2HD LYS 17 0.966 11.784 -1.156 123 2HD LYS 17 1HD LYS 17 1.001 11.096 0.468 124 1HE LYS 17 2HE LYS 17 3.259 11.352 0.643 125 2HE LYS 17 1HE LYS 17 3.535 10.778 -1.015 126 1HZ LYS 17 1HZ LYS 17 3.311 12.839 -1.871 127 2HZ LYS 17 2HZ LYS 17 3.759 13.338 -0.310 128 3HZ LYS 17 3HZ LYS 17 2.120 13.303 -0.757 129 H ASP 18 H ASP 18 2.318 6.971 -2.194 130 HA ASP 18 HA ASP 18 4.327 5.788 -1.818 131 1HB ASP 18 2HB ASP 18 3.551 6.467 1.039 132 2HB ASP 18 1HB ASP 18 5.164 5.998 0.503 133 H LEU 19 H LEU 19 1.470 4.497 -1.435 134 HA LEU 19 HA LEU 19 2.478 1.976 -0.150 135 1HB LEU 19 2HB LEU 19 0.587 3.543 0.883 136 2HB LEU 19 1HB LEU 19 -0.430 2.690 -0.280 137 HG LEU 19 HG LEU 19 0.518 0.520 0.657 138 1HD1 LEU 19 1HD1 LEU 19 1.266 2.156 3.069 139 2HD1 LEU 19 2HD1 LEU 19 2.439 1.913 1.776 140 3HD1 LEU 19 3HD1 LEU 19 1.774 0.524 2.634 141 1HD2 LEU 19 1HD2 LEU 19 -1.006 2.317 2.575 142 2HD2 LEU 19 2HD2 LEU 19 -0.975 0.554 2.614 143 3HD2 LEU 19 3HD2 LEU 19 -1.728 1.391 1.258 144 H VAL 20 H VAL 20 2.209 0.104 -1.376 145 HA VAL 20 HA VAL 20 0.502 0.274 -3.831 146 HB VAL 20 HB VAL 20 2.400 -0.902 -5.010 147 1HG1 VAL 20 1HG1 VAL 20 3.722 1.538 -4.060 148 2HG1 VAL 20 2HG1 VAL 20 2.029 1.790 -4.484 149 3HG1 VAL 20 3HG1 VAL 20 3.148 1.129 -5.676 150 1HG2 VAL 20 1HG2 VAL 20 3.380 -1.626 -2.712 151 2HG2 VAL 20 2HG2 VAL 20 4.102 -0.016 -2.682 152 3HG2 VAL 20 3HG2 VAL 20 4.510 -1.141 -3.977 153 H CYS 21 H CYS 21 -0.496 -1.690 -4.379 154 HA CYS 21 HA CYS 21 -0.916 -3.641 -2.321 155 1HB CYS 21 2HB CYS 21 -2.446 -3.011 -4.198 156 2HB CYS 21 1HB CYS 21 -1.350 -3.818 -5.319 157 H SER 22 H SER 22 -0.038 -5.781 -2.099 158 HA SER 22 HA SER 22 2.110 -6.528 -4.035 159 1HB SER 22 2HB SER 22 2.296 -5.862 -1.145 160 2HB SER 22 1HB SER 22 3.257 -7.226 -1.709 161 HG SER 22 HG SER 22 4.250 -5.072 -1.847 162 H SER 23 H SER 23 1.755 -8.592 -4.684 163 HA SER 23 HA SER 23 -0.173 -10.330 -3.508 164 1HB SER 23 2HB SER 23 1.099 -10.172 -5.869 165 2HB SER 23 1HB SER 23 2.119 -11.390 -5.105 166 HG SER 23 HG SER 23 -0.699 -11.569 -5.055 167 H ARG 24 H ARG 24 3.125 -9.621 -2.799 168 HA ARG 24 HA ARG 24 3.732 -12.096 -1.358 169 1HB ARG 24 2HB ARG 24 5.295 -10.387 -2.546 170 2HB ARG 24 1HB ARG 24 5.090 -9.407 -1.095 171 1HG ARG 24 2HG ARG 24 5.869 -11.336 0.277 172 2HG ARG 24 1HG ARG 24 6.166 -12.240 -1.209 173 1HD ARG 24 2HD ARG 24 8.158 -11.202 -1.499 174 2HD ARG 24 1HD ARG 24 7.396 -9.605 -1.345 175 HE ARG 24 HE ARG 24 7.403 -10.187 1.209 176 1HH1 ARG 24 1HH1 ARG 24 9.236 -12.495 -0.207 177 2HH1 ARG 24 2HH1 ARG 24 10.743 -12.059 0.525 178 1HH2 ARG 24 1HH2 ARG 24 9.566 -9.045 1.774 179 2HH2 ARG 24 2HH2 ARG 24 10.931 -10.105 1.648 180 H TRP 25 H TRP 25 2.941 -8.730 -0.541 181 HA TRP 25 HA TRP 25 2.539 -9.473 2.303 182 1HB TRP 25 2HB TRP 25 2.326 -6.816 0.857 183 2HB TRP 25 1HB TRP 25 2.367 -7.058 2.597 184 HD1 TRP 25 HD TRP 25 4.615 -7.219 -0.486 185 HE1 TRP 25 1HE TRP 25 7.071 -7.272 0.285 186 HE3 TRP 25 3HE TRP 25 3.964 -7.701 4.562 187 HZ2 TRP 25 2HZ TRP 25 8.549 -7.484 2.668 188 HZ3 TRP 25 3HZ TRP 25 5.935 -7.826 6.062 189 HH2 TRP 25 HH TRP 25 8.231 -7.718 5.125 190 H LYS 26 H LYS 26 0.791 -9.839 -0.376 191 HA LYS 26 HA LYS 26 -1.477 -9.738 -0.977 192 1HB LYS 26 2HB LYS 26 -2.799 -10.750 1.083 193 2HB LYS 26 1HB LYS 26 -1.633 -11.718 0.193 194 1HG LYS 26 2HG LYS 26 -1.034 -12.110 2.414 195 2HG LYS 26 1HG LYS 26 0.081 -10.839 1.969 196 1HD LYS 26 2HD LYS 26 -0.735 -9.937 3.923 197 2HD LYS 26 1HD LYS 26 -1.948 -9.308 2.807 198 1HE LYS 26 2HE LYS 26 -3.256 -10.291 4.520 199 2HE LYS 26 1HE LYS 26 -3.193 -11.573 3.293 200 1HZ LYS 26 1HZ LYS 26 -1.566 -11.301 5.748 201 2HZ LYS 26 2HZ LYS 26 -1.051 -12.267 4.448 202 3HZ LYS 26 3HZ LYS 26 -2.506 -12.621 5.250 203 H TRP 27 H TRP 27 -0.547 -7.228 -0.110 204 HA TRP 27 HA TRP 27 -2.985 -5.828 0.170 205 1HB TRP 27 2HB TRP 27 -2.826 -5.081 2.546 206 2HB TRP 27 1HB TRP 27 -3.128 -6.804 2.391 207 HD1 TRP 27 HD TRP 27 0.307 -5.019 2.162 208 HE1 TRP 27 1HE TRP 27 1.826 -6.026 3.979 209 HE3 TRP 27 3HE TRP 27 -2.990 -8.101 4.512 210 HZ2 TRP 27 2HZ TRP 27 1.690 -7.839 6.121 211 HZ3 TRP 27 3HZ TRP 27 -2.269 -9.458 6.455 212 HH2 TRP 27 HH TRP 27 0.069 -9.333 7.267 213 H CYS 28 H CYS 28 -2.568 -3.448 0.809 214 HA CYS 28 HA CYS 28 -0.449 -2.400 -0.775 215 1HB CYS 28 2HB CYS 28 -2.136 -1.250 1.468 216 2HB CYS 28 1HB CYS 28 -1.156 -0.271 0.372 217 H VAL 29 H VAL 29 1.664 -1.899 -0.275 218 HA VAL 29 HA VAL 29 2.538 -2.317 2.566 219 HB VAL 29 HB VAL 29 4.715 -2.985 1.380 220 1HG1 VAL 29 1HG1 VAL 29 3.283 -5.126 0.407 221 2HG1 VAL 29 2HG1 VAL 29 2.154 -4.425 1.565 222 3HG1 VAL 29 3HG1 VAL 29 3.762 -4.920 2.092 223 1HG2 VAL 29 1HG2 VAL 29 3.557 -1.892 -0.809 224 2HG2 VAL 29 2HG2 VAL 29 3.082 -3.574 -1.034 225 3HG2 VAL 29 3HG2 VAL 29 4.790 -3.149 -0.908 226 H LEU 30 H LEU 30 4.655 -1.145 3.023 227 HA LEU 30 HA LEU 30 4.393 1.675 2.574 228 1HB LEU 30 2HB LEU 30 6.780 0.012 3.445 229 2HB LEU 30 1HB LEU 30 6.552 1.734 3.754 230 HG LEU 30 HG LEU 30 4.562 -0.345 4.683 231 1HD1 LEU 30 1HD1 LEU 30 6.085 0.646 6.861 232 2HD1 LEU 30 2HD1 LEU 30 7.239 0.112 5.640 233 3HD1 LEU 30 3HD1 LEU 30 6.025 -1.009 6.257 234 1HD2 LEU 30 1HD2 LEU 30 3.970 1.481 6.272 235 2HD2 LEU 30 2HD2 LEU 30 3.768 1.974 4.591 236 3HD2 LEU 30 3HD2 LEU 30 5.177 2.513 5.505 237 H ALA 31 H ALA 31 4.245 1.347 0.070 238 HA ALA 31 HA ALA 31 5.268 1.405 -2.076 239 1HB ALA 31 1HB ALA 31 7.395 3.063 -1.652 240 2HB ALA 31 2HB ALA 31 6.489 3.306 -0.159 241 3HB ALA 31 3HB ALA 31 5.724 3.621 -1.717 242 H SER 32 H SER 32 5.994 -0.990 -0.959 243 HA SER 32 HA SER 32 8.961 -1.187 -1.078 244 1HB SER 32 2HB SER 32 6.680 -2.974 -0.225 245 2HB SER 32 1HB SER 32 8.316 -3.603 -0.401 246 HG SER 32 HG SER 32 8.991 -1.987 1.081 247 HA PRO 33 HA PRO 33 8.299 -2.387 -5.356 248 1HB PRO 33 2HB PRO 33 10.959 -2.460 -6.004 249 2HB PRO 33 1HB PRO 33 10.023 -0.954 -5.920 250 1HG PRO 33 2HG PRO 33 11.898 -2.130 -3.930 251 2HG PRO 33 1HG PRO 33 11.668 -0.439 -4.402 252 1HD PRO 33 2HD PRO 33 10.643 -1.505 -2.117 253 2HD PRO 33 1HD PRO 33 9.893 -0.146 -2.983 254 H PHE 34 H PHE 34 7.678 -4.479 -4.000 255 HA PHE 34 HA PHE 34 7.930 -6.810 -3.687 256 1HB PHE 34 2HB PHE 34 9.344 -6.088 -6.246 257 2HB PHE 34 1HB PHE 34 9.331 -7.762 -5.692 258 HD1 PHE 34 1HD PHE 34 7.245 -9.038 -5.559 259 HD2 PHE 34 2HD PHE 34 7.285 -4.971 -6.941 260 HE1 PHE 34 1HE PHE 34 4.952 -9.322 -6.461 261 HE2 PHE 34 2HE PHE 34 4.992 -5.254 -7.841 262 HZ PHE 34 HZ PHE 34 3.825 -7.430 -7.601 Start of MODEL 20 1 1H GLU 1 1HT GLU 1 -8.043 4.663 -4.235 2 2H GLU 1 2HT GLU 1 -9.608 4.313 -3.674 3 3H GLU 1 3HT GLU 1 -8.258 3.593 -2.937 4 HA GLU 1 HA GLU 1 -8.429 6.526 -2.969 5 1HB GLU 1 2HB GLU 1 -9.780 6.207 -0.802 6 2HB GLU 1 1HB GLU 1 -10.647 5.931 -2.313 7 1HG GLU 1 2HG GLU 1 -10.394 3.537 -2.103 8 2HG GLU 1 1HG GLU 1 -9.320 3.725 -0.716 9 H CYS 2 H CYS 2 -7.962 6.882 -0.319 10 HA CYS 2 HA CYS 2 -5.305 5.590 0.065 11 1HB CYS 2 2HB CYS 2 -5.980 8.147 0.072 12 2HB CYS 2 1HB CYS 2 -6.451 7.806 1.736 13 H GLY 3 H GLY 3 -5.409 3.749 1.320 14 1HA GLY 3 2HA GLY 3 -7.318 3.760 3.626 15 2HA GLY 3 1HA GLY 3 -6.798 2.294 2.792 16 H LYS 4 H LYS 4 -5.685 1.209 4.369 17 HA LYS 4 HA LYS 4 -3.313 2.598 5.561 18 1HB LYS 4 2HB LYS 4 -5.665 1.909 6.865 19 2HB LYS 4 1HB LYS 4 -4.595 0.553 7.226 20 1HG LYS 4 2HG LYS 4 -3.350 3.228 7.450 21 2HG LYS 4 1HG LYS 4 -4.607 2.882 8.638 22 1HD LYS 4 2HD LYS 4 -2.740 0.650 8.193 23 2HD LYS 4 1HD LYS 4 -1.986 2.094 8.873 24 1HE LYS 4 2HE LYS 4 -3.054 1.846 10.874 25 2HE LYS 4 1HE LYS 4 -4.582 1.380 10.100 26 1HZ LYS 4 1HZ LYS 4 -3.637 -0.775 9.582 27 2HZ LYS 4 2HZ LYS 4 -3.562 -0.502 11.256 28 3HZ LYS 4 3HZ LYS 4 -2.164 -0.340 10.303 29 H PHE 5 H PHE 5 -1.568 1.068 6.121 30 HA PHE 5 HA PHE 5 -0.917 -0.853 4.221 31 1HB PHE 5 2HB PHE 5 0.573 0.114 5.951 32 2HB PHE 5 1HB PHE 5 -0.259 -0.836 7.182 33 HD1 PHE 5 1HD PHE 5 2.280 -0.838 4.611 34 HD2 PHE 5 2HD PHE 5 -0.191 -3.396 7.023 35 HE1 PHE 5 1HE PHE 5 3.805 -2.731 4.161 36 HE2 PHE 5 2HE PHE 5 1.340 -5.290 6.568 37 HZ PHE 5 HZ PHE 5 3.341 -4.955 5.139 38 H MET 6 H MET 6 -0.886 -3.219 4.390 39 HA MET 6 HA MET 6 -1.784 -5.319 4.919 40 1HB MET 6 2HB MET 6 -2.020 -3.738 7.250 41 2HB MET 6 1HB MET 6 -3.559 -4.578 7.059 42 1HG MET 6 2HG MET 6 -2.610 -6.664 7.317 43 2HG MET 6 1HG MET 6 -1.070 -6.162 6.621 44 1HE MET 6 1HE MET 6 0.518 -6.623 7.614 45 2HE MET 6 2HE MET 6 0.581 -7.193 9.279 46 3HE MET 6 3HE MET 6 1.197 -5.591 8.880 47 H TRP 7 H TRP 7 -3.374 -2.854 3.576 48 HA TRP 7 HA TRP 7 -6.130 -3.849 3.763 49 1HB TRP 7 2HB TRP 7 -4.624 -1.621 2.458 50 2HB TRP 7 1HB TRP 7 -6.196 -2.050 1.789 51 HD1 TRP 7 HD TRP 7 -5.260 -2.230 5.503 52 HE1 TRP 7 1HE TRP 7 -6.829 -0.634 6.807 53 HE3 TRP 7 3HE TRP 7 -7.716 -0.034 1.619 54 HZ2 TRP 7 2HZ TRP 7 -8.831 1.290 6.275 55 HZ3 TRP 7 3HZ TRP 7 -9.458 1.684 2.040 56 HH2 TRP 7 HH TRP 7 -10.020 2.353 4.364 57 H LYS 8 H LYS 8 -7.122 -5.206 2.302 58 HA LYS 8 HA LYS 8 -5.470 -6.528 0.250 59 1HB LYS 8 2HB LYS 8 -7.606 -7.870 0.010 60 2HB LYS 8 1HB LYS 8 -6.951 -7.847 1.647 61 1HG LYS 8 2HG LYS 8 -8.842 -6.916 2.428 62 2HG LYS 8 1HG LYS 8 -8.671 -5.571 1.299 63 1HD LYS 8 2HD LYS 8 -10.488 -6.357 0.223 64 2HD LYS 8 1HD LYS 8 -9.508 -7.736 -0.279 65 1HE LYS 8 2HE LYS 8 -10.761 -9.104 1.018 66 2HE LYS 8 1HE LYS 8 -10.346 -8.139 2.449 67 1HZ LYS 8 1HZ LYS 8 -12.098 -6.657 2.042 68 2HZ LYS 8 2HZ LYS 8 -12.782 -8.194 1.802 69 3HZ LYS 8 3HZ LYS 8 -12.350 -7.236 0.467 70 H CYS 9 H CYS 9 -5.356 -5.681 -1.799 71 HA CYS 9 HA CYS 9 -7.750 -4.248 -2.876 72 1HB CYS 9 2HB CYS 9 -5.527 -3.058 -4.046 73 2HB CYS 9 1HB CYS 9 -6.477 -2.383 -2.728 74 H LYS 10 H LYS 10 -6.803 -3.716 -5.387 75 HA LYS 10 HA LYS 10 -6.818 -6.390 -6.617 76 1HB LYS 10 2HB LYS 10 -7.269 -5.100 -8.648 77 2HB LYS 10 1HB LYS 10 -8.279 -4.503 -7.333 78 1HG LYS 10 2HG LYS 10 -6.336 -2.815 -6.914 79 2HG LYS 10 1HG LYS 10 -5.833 -3.234 -8.550 80 1HD LYS 10 2HD LYS 10 -8.713 -2.589 -8.141 81 2HD LYS 10 1HD LYS 10 -7.570 -1.249 -8.058 82 1HE LYS 10 2HE LYS 10 -7.365 -1.239 -10.310 83 2HE LYS 10 1HE LYS 10 -6.919 -2.957 -10.306 84 1HZ LYS 10 1HZ LYS 10 -9.072 -3.624 -10.530 85 2HZ LYS 10 2HZ LYS 10 -9.175 -2.147 -11.363 86 3HZ LYS 10 3HZ LYS 10 -9.706 -2.257 -9.753 87 H ASN 11 H ASN 11 -4.672 -3.532 -6.615 88 HA ASN 11 HA ASN 11 -2.326 -5.215 -7.064 89 1HB ASN 11 2HB ASN 11 -3.872 -4.165 -9.261 90 2HB ASN 11 1HB ASN 11 -2.263 -3.443 -9.273 91 1HD2 ASN 11 1HD2 ASN 11 -0.451 -4.821 -9.738 92 2HD2 ASN 11 2HD2 ASN 11 -0.631 -6.446 -10.195 93 H SER 12 H SER 12 -3.595 -1.900 -7.404 94 HA SER 12 HA SER 12 -1.929 -0.782 -5.398 95 1HB SER 12 2HB SER 12 -0.109 -1.381 -6.894 96 2HB SER 12 1HB SER 12 -0.933 -0.631 -8.258 97 HG SER 12 HG SER 12 0.683 0.479 -6.425 98 H ASN 13 H ASN 13 -4.645 -0.565 -6.630 99 HA ASN 13 HA ASN 13 -4.615 2.334 -7.395 100 1HB ASN 13 2HB ASN 13 -5.761 0.021 -8.544 101 2HB ASN 13 1HB ASN 13 -7.105 0.936 -7.860 102 1HD2 ASN 13 1HD2 ASN 13 -4.032 1.881 -9.524 103 2HD2 ASN 13 2HD2 ASN 13 -4.789 2.917 -10.635 104 H ASP 14 H ASP 14 -5.014 0.488 -4.732 105 HA ASP 14 HA ASP 14 -7.155 2.278 -3.636 106 1HB ASP 14 2HB ASP 14 -6.819 -0.676 -3.700 107 2HB ASP 14 1HB ASP 14 -7.416 0.001 -2.186 108 H CYS 15 H CYS 15 -3.944 1.305 -3.441 109 HA CYS 15 HA CYS 15 -3.623 1.355 -0.537 110 1HB CYS 15 2HB CYS 15 -1.743 1.452 -2.914 111 2HB CYS 15 1HB CYS 15 -1.200 1.313 -1.242 112 H CYS 16 H CYS 16 -2.624 3.050 0.660 113 HA CYS 16 HA CYS 16 -3.275 5.742 -0.110 114 1HB CYS 16 2HB CYS 16 -2.051 4.253 2.108 115 2HB CYS 16 1HB CYS 16 -1.427 5.892 1.926 116 H LYS 17 H LYS 17 -1.571 7.512 -0.222 117 HA LYS 17 HA LYS 17 0.183 7.268 -2.360 118 1HB LYS 17 2HB LYS 17 -0.534 9.353 -1.201 119 2HB LYS 17 1HB LYS 17 0.536 8.947 0.142 120 1HG LYS 17 2HG LYS 17 2.176 10.032 -0.960 121 2HG LYS 17 1HG LYS 17 2.148 8.717 -2.137 122 1HD LYS 17 2HD LYS 17 1.749 10.524 -3.536 123 2HD LYS 17 1HD LYS 17 0.094 10.084 -3.114 124 1HE LYS 17 2HE LYS 17 0.525 11.741 -1.073 125 2HE LYS 17 1HE LYS 17 1.715 12.430 -2.195 126 1HZ LYS 17 1HZ LYS 17 -0.247 12.083 -3.880 127 2HZ LYS 17 2HZ LYS 17 -0.158 13.484 -2.923 128 3HZ LYS 17 3HZ LYS 17 -1.194 12.212 -2.479 129 H ASP 18 H ASP 18 2.461 6.832 -2.525 130 HA ASP 18 HA ASP 18 4.446 5.666 -1.997 131 1HB ASP 18 2HB ASP 18 3.499 6.919 0.571 132 2HB ASP 18 1HB ASP 18 4.931 5.889 0.579 133 H LEU 19 H LEU 19 1.582 4.441 -1.640 134 HA LEU 19 HA LEU 19 2.518 1.974 -0.220 135 1HB LEU 19 2HB LEU 19 0.765 3.654 0.858 136 2HB LEU 19 1HB LEU 19 -0.355 2.850 -0.242 137 HG LEU 19 HG LEU 19 0.418 0.647 0.690 138 1HD1 LEU 19 1HD1 LEU 19 2.581 1.795 1.600 139 2HD1 LEU 19 2HD1 LEU 19 1.823 0.536 2.573 140 3HD1 LEU 19 3HD1 LEU 19 1.573 2.233 2.978 141 1HD2 LEU 19 1HD2 LEU 19 -0.850 2.729 2.487 142 2HD2 LEU 19 2HD2 LEU 19 -0.736 1.031 2.953 143 3HD2 LEU 19 3HD2 LEU 19 -1.657 1.494 1.521 144 H VAL 20 H VAL 20 2.112 0.082 -1.367 145 HA VAL 20 HA VAL 20 0.296 0.248 -3.739 146 HB VAL 20 HB VAL 20 2.065 -0.805 -5.082 147 1HG1 VAL 20 1HG1 VAL 20 3.599 1.369 -3.761 148 2HG1 VAL 20 2HG1 VAL 20 1.987 1.796 -4.336 149 3HG1 VAL 20 3HG1 VAL 20 3.185 1.158 -5.462 150 1HG2 VAL 20 1HG2 VAL 20 3.798 -0.536 -2.607 151 2HG2 VAL 20 2HG2 VAL 20 4.260 -1.252 -4.153 152 3HG2 VAL 20 3HG2 VAL 20 3.065 -2.052 -3.133 153 H CYS 21 H CYS 21 -0.814 -1.678 -4.136 154 HA CYS 21 HA CYS 21 -0.945 -3.662 -2.041 155 1HB CYS 21 2HB CYS 21 -2.558 -2.768 -4.023 156 2HB CYS 21 1HB CYS 21 -1.959 -4.242 -4.776 157 H SER 22 H SER 22 0.210 -5.575 -1.873 158 HA SER 22 HA SER 22 1.839 -6.415 -4.249 159 1HB SER 22 2HB SER 22 2.832 -5.204 -2.057 160 2HB SER 22 1HB SER 22 2.842 -6.870 -1.483 161 HG SER 22 HG SER 22 3.816 -7.202 -3.745 162 H SER 23 H SER 23 1.724 -8.572 -4.718 163 HA SER 23 HA SER 23 -0.182 -10.273 -3.424 164 1HB SER 23 2HB SER 23 0.331 -11.703 -5.200 165 2HB SER 23 1HB SER 23 0.840 -10.150 -5.857 166 HG SER 23 HG SER 23 2.875 -10.734 -5.680 167 H ARG 24 H ARG 24 3.199 -9.637 -2.924 168 HA ARG 24 HA ARG 24 3.791 -12.143 -1.534 169 1HB ARG 24 2HB ARG 24 5.285 -10.337 -2.802 170 2HB ARG 24 1HB ARG 24 5.352 -9.605 -1.199 171 1HG ARG 24 2HG ARG 24 5.825 -12.539 -1.347 172 2HG ARG 24 1HG ARG 24 7.096 -11.498 -1.988 173 1HD ARG 24 2HD ARG 24 6.116 -10.450 0.537 174 2HD ARG 24 1HD ARG 24 6.674 -12.124 0.721 175 HE ARG 24 HE ARG 24 8.395 -9.891 0.241 176 1HH1 ARG 24 1HH1 ARG 24 8.271 -13.230 0.343 177 2HH1 ARG 24 2HH1 ARG 24 9.663 -13.496 -0.651 178 1HH2 ARG 24 1HH2 ARG 24 9.986 -10.162 -1.551 179 2HH2 ARG 24 2HH2 ARG 24 10.636 -11.758 -1.723 180 H TRP 25 H TRP 25 3.155 -8.772 -0.616 181 HA TRP 25 HA TRP 25 3.095 -9.451 2.253 182 1HB TRP 25 2HB TRP 25 2.453 -6.897 0.738 183 2HB TRP 25 1HB TRP 25 2.760 -7.028 2.470 184 HD1 TRP 25 HD TRP 25 4.496 -6.418 -0.721 185 HE1 TRP 25 1HE TRP 25 7.050 -6.538 -0.403 186 HE3 TRP 25 3HE TRP 25 4.723 -8.531 3.923 187 HZ2 TRP 25 2HZ TRP 25 8.917 -7.401 1.518 188 HZ3 TRP 25 3HZ TRP 25 6.920 -8.994 4.976 189 HH2 TRP 25 HH TRP 25 9.022 -8.433 3.781 190 H LYS 26 H LYS 26 0.968 -9.504 -0.393 191 HA LYS 26 HA LYS 26 -1.321 -9.990 -0.541 192 1HB LYS 26 2HB LYS 26 -1.980 -11.411 1.119 193 2HB LYS 26 1HB LYS 26 -0.328 -11.217 1.689 194 1HG LYS 26 2HG LYS 26 -1.601 -9.034 2.819 195 2HG LYS 26 1HG LYS 26 -2.843 -10.279 2.888 196 1HD LYS 26 2HD LYS 26 -0.109 -10.244 4.145 197 2HD LYS 26 1HD LYS 26 -1.671 -10.575 4.894 198 1HE LYS 26 2HE LYS 26 -1.143 -12.781 4.668 199 2HE LYS 26 1HE LYS 26 -1.454 -12.559 2.934 200 1HZ LYS 26 1HZ LYS 26 0.947 -11.504 3.070 201 2HZ LYS 26 2HZ LYS 26 0.721 -13.171 2.829 202 3HZ LYS 26 3HZ LYS 26 1.090 -12.575 4.378 203 H TRP 27 H TRP 27 -0.300 -7.159 0.074 204 HA TRP 27 HA TRP 27 -2.852 -5.901 0.270 205 1HB TRP 27 2HB TRP 27 -2.582 -5.018 2.618 206 2HB TRP 27 1HB TRP 27 -2.840 -6.755 2.538 207 HD1 TRP 27 HD TRP 27 0.457 -4.789 2.044 208 HE1 TRP 27 1HE TRP 27 2.200 -5.696 3.697 209 HE3 TRP 27 3HE TRP 27 -2.417 -8.119 4.638 210 HZ2 TRP 27 2HZ TRP 27 2.370 -7.533 5.822 211 HZ3 TRP 27 3HZ TRP 27 -1.426 -9.426 6.497 212 HH2 TRP 27 HH TRP 27 0.964 -9.139 7.097 213 H CYS 28 H CYS 28 -2.357 -3.481 1.332 214 HA CYS 28 HA CYS 28 -0.543 -2.212 -0.534 215 1HB CYS 28 2HB CYS 28 -2.055 -1.320 1.944 216 2HB CYS 28 1HB CYS 28 -1.182 -0.206 0.894 217 H VAL 29 H VAL 29 1.667 -2.085 -0.253 218 HA VAL 29 HA VAL 29 2.742 -2.477 2.508 219 HB VAL 29 HB VAL 29 4.801 -3.120 1.263 220 1HG1 VAL 29 1HG1 VAL 29 3.414 -5.029 -0.100 221 2HG1 VAL 29 2HG1 VAL 29 2.163 -4.447 0.997 222 3HG1 VAL 29 3HG1 VAL 29 3.679 -5.077 1.643 223 1HG2 VAL 29 1HG2 VAL 29 3.127 -3.003 -1.244 224 2HG2 VAL 29 2HG2 VAL 29 4.879 -3.145 -1.096 225 3HG2 VAL 29 3HG2 VAL 29 4.085 -1.613 -0.731 226 H LEU 30 H LEU 30 4.241 -1.014 3.350 227 HA LEU 30 HA LEU 30 4.093 1.714 2.662 228 1HB LEU 30 2HB LEU 30 6.306 1.760 4.000 229 2HB LEU 30 1HB LEU 30 4.889 1.092 4.808 230 HG LEU 30 HG LEU 30 6.069 -1.071 3.418 231 1HD1 LEU 30 1HD1 LEU 30 8.037 0.926 4.258 232 2HD1 LEU 30 2HD1 LEU 30 8.251 -0.505 3.251 233 3HD1 LEU 30 3HD1 LEU 30 8.304 -0.647 5.009 234 1HD2 LEU 30 1HD2 LEU 30 6.647 -1.736 5.839 235 2HD2 LEU 30 2HD2 LEU 30 4.951 -1.400 5.493 236 3HD2 LEU 30 3HD2 LEU 30 5.942 -0.189 6.308 237 H ALA 31 H ALA 31 4.346 1.791 0.319 238 HA ALA 31 HA ALA 31 7.008 1.083 -0.790 239 1HB ALA 31 1HB ALA 31 4.327 1.111 -1.671 240 2HB ALA 31 2HB ALA 31 5.753 0.720 -2.634 241 3HB ALA 31 3HB ALA 31 5.144 2.375 -2.593 242 H SER 32 H SER 32 7.539 3.085 0.908 243 HA SER 32 HA SER 32 7.085 5.759 0.339 244 1HB SER 32 2HB SER 32 8.934 4.180 1.770 245 2HB SER 32 1HB SER 32 9.907 5.273 0.792 246 HG SER 32 HG SER 32 7.669 6.321 2.085 247 HA PRO 33 HA PRO 33 10.474 5.762 -3.035 248 1HB PRO 33 2HB PRO 33 11.523 3.361 -3.822 249 2HB PRO 33 1HB PRO 33 12.196 4.315 -2.486 250 1HG PRO 33 2HG PRO 33 10.444 1.917 -2.404 251 2HG PRO 33 1HG PRO 33 11.777 2.381 -1.336 252 1HD PRO 33 2HD PRO 33 9.126 2.682 -0.707 253 2HD PRO 33 1HD PRO 33 10.433 3.661 -0.008 254 H PHE 34 H PHE 34 7.827 5.678 -3.524 255 HA PHE 34 HA PHE 34 6.165 5.140 -5.124 256 1HB PHE 34 2HB PHE 34 8.541 5.933 -6.270 257 2HB PHE 34 1HB PHE 34 8.215 4.421 -7.116 258 HD1 PHE 34 1HD PHE 34 7.199 4.809 -9.176 259 HD2 PHE 34 2HD PHE 34 6.047 7.185 -5.789 260 HE1 PHE 34 1HE PHE 34 5.490 5.955 -10.562 261 HE2 PHE 34 2HE PHE 34 4.338 8.331 -7.174 262 HZ PHE 34 HZ PHE 34 4.060 7.715 -9.560
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