NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
7107 | 1k09 | 5183 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1HA MPT 1 1HA MPT 1 -11.229 -10.432 -19.045 2 2HA MPT 1 2HA MPT 1 -9.863 -10.193 -20.146 3 1HB MPT 1 1HB MPT 1 -8.648 -11.969 -19.025 4 2HB MPT 1 2HB MPT 1 -10.268 -12.582 -19.365 5 H LYS 2 H LYS 2 -8.404 -8.648 -19.575 6 HA LYS 2 HA LYS 2 -7.373 -6.958 -18.288 7 1HB LYS 2 2HB LYS 2 -10.096 -7.361 -17.273 8 2HB LYS 2 1HB LYS 2 -9.002 -6.722 -16.046 9 1HG LYS 2 2HG LYS 2 -8.246 -5.096 -17.969 10 2HG LYS 2 1HG LYS 2 -9.812 -5.509 -18.670 11 1HD LYS 2 2HD LYS 2 -10.925 -4.246 -17.165 12 2HD LYS 2 1HD LYS 2 -10.010 -4.923 -15.817 13 1HE LYS 2 2HE LYS 2 -9.375 -2.641 -15.803 14 2HE LYS 2 1HE LYS 2 -8.060 -3.406 -16.717 15 1HZ LYS 2 1HZ LYS 2 -10.503 -2.171 -17.877 16 2HZ LYS 2 2HZ LYS 2 -9.291 -2.965 -18.764 17 3HZ LYS 2 3HZ LYS 2 -8.938 -1.521 -17.940 18 H ALA 3 H ALA 3 -5.545 -8.229 -17.705 19 HA ALA 3 HA ALA 3 -5.598 -10.136 -15.508 20 1HB ALA 3 1HB ALA 3 -3.064 -8.880 -16.436 21 2HB ALA 3 2HB ALA 3 -4.031 -9.690 -17.669 22 3HB ALA 3 3HB ALA 3 -3.470 -10.587 -16.259 23 H CLG 4 H CLG 4 -6.682 -7.827 -14.460 24 HA CLG 4 HA CLG 4 -4.957 -7.264 -12.215 25 1HB CLG 4 1HB CLG 4 -5.362 -5.004 -14.194 26 2HB CLG 4 2HB CLG 4 -3.910 -6.005 -14.169 27 1HG CLG 4 1HG CLG 4 -3.350 -5.287 -11.954 28 2HG CLG 4 2HG CLG 4 -4.933 -4.543 -11.724 29 1HD CLG 4 1HD CLG 4 -3.469 -3.545 -14.078 30 2HD CLG 4 2HD CLG 4 -2.674 -3.201 -12.541 31 1HE CLG 4 1HE CLG 4 -4.447 -1.876 -11.778 32 2HE CLG 4 2HE CLG 4 -5.632 -2.694 -12.818 33 HNZ CLG 4 HNZ CLG 4 -3.830 -1.557 -14.602 34 1HI CLG 4 1HI CLG 4 -4.121 0.345 -15.675 35 2HI CLG 4 2HI CLG 4 -5.467 1.361 -15.155 36 HNJ CLG 4 HNJ CLG 4 -3.139 1.800 -13.499 37 1HL CLG 4 1HL CLG 4 -2.698 4.375 -13.603 38 2HL CLG 4 2HL CLG 4 -1.386 3.511 -14.402 39 H ILE 5 H ILE 5 -6.723 -7.442 -10.827 40 HA ILE 5 HA ILE 5 -9.385 -6.642 -11.307 41 HB ILE 5 HB ILE 5 -8.209 -8.011 -9.413 42 1HG1 ILE 5 2HG1 ILE 5 -10.192 -6.676 -7.896 43 2HG1 ILE 5 1HG1 ILE 5 -10.717 -6.596 -9.578 44 1HG2 ILE 5 1HG2 ILE 5 -7.292 -6.908 -7.647 45 2HG2 ILE 5 2HG2 ILE 5 -8.502 -5.628 -7.693 46 3HG2 ILE 5 3HG2 ILE 5 -7.124 -5.578 -8.792 47 1HD1 ILE 5 1HD1 ILE 5 -11.546 -8.658 -8.545 48 2HD1 ILE 5 2HD1 ILE 5 -9.903 -9.106 -8.083 49 3HD1 ILE 5 3HD1 ILE 5 -10.354 -9.044 -9.787 50 H ILE 6 H ILE 6 -10.134 -4.831 -9.317 51 HA ILE 6 HA ILE 6 -8.584 -2.342 -9.870 52 HB ILE 6 HB ILE 6 -11.584 -2.621 -10.204 53 1HG1 ILE 6 2HG1 ILE 6 -9.373 -2.628 -12.285 54 2HG1 ILE 6 1HG1 ILE 6 -10.450 -3.972 -11.905 55 1HG2 ILE 6 1HG2 ILE 6 -11.020 -0.355 -9.759 56 2HG2 ILE 6 2HG2 ILE 6 -11.147 -0.452 -11.515 57 3HG2 ILE 6 3HG2 ILE 6 -9.561 -0.443 -10.745 58 1HD1 ILE 6 1HD1 ILE 6 -11.929 -3.171 -13.398 59 2HD1 ILE 6 2HD1 ILE 6 -10.899 -1.770 -13.700 60 3HD1 ILE 6 3HD1 ILE 6 -12.101 -1.721 -12.410 61 H ARG 7 H ARG 7 -8.416 -1.107 -8.043 62 HA ARG 7 HA ARG 7 -10.526 -1.165 -5.974 63 1HB ARG 7 2HB ARG 7 -9.140 -3.112 -5.452 64 2HB ARG 7 1HB ARG 7 -7.680 -2.129 -5.541 65 1HG ARG 7 2HG ARG 7 -8.316 -2.424 -3.200 66 2HG ARG 7 1HG ARG 7 -8.545 -0.736 -3.662 67 1HD ARG 7 2HD ARG 7 -10.851 -2.642 -3.966 68 2HD ARG 7 1HD ARG 7 -10.474 -1.982 -2.361 69 HE ARG 7 HE ARG 7 -10.374 0.261 -3.909 70 1HH1 ARG 7 1HH1 ARG 7 -12.239 -1.776 -5.520 71 2HH1 ARG 7 2HH1 ARG 7 -13.774 -1.062 -5.153 72 1HH2 ARG 7 1HH2 ARG 7 -12.528 0.960 -2.627 73 2HH2 ARG 7 2HH2 ARG 7 -13.938 0.487 -3.516 74 H TYR 8 H TYR 8 -10.641 1.106 -6.536 75 HA TYR 8 HA TYR 8 -8.366 2.715 -5.435 76 1HB TYR 8 2HB TYR 8 -8.440 4.134 -7.326 77 2HB TYR 8 1HB TYR 8 -8.582 2.514 -7.990 78 HD1 TYR 8 HD1 TYR 8 -11.664 2.462 -6.815 79 HD2 TYR 8 HD2 TYR 8 -9.393 4.955 -9.475 80 HE1 TYR 8 HE1 TYR 8 -13.746 3.129 -7.964 81 HE2 TYR 8 HE2 TYR 8 -11.483 5.628 -10.620 82 HH TYR 8 HH TYR 8 -14.288 4.016 -10.418 83 H PHE 9 H PHE 9 -9.272 5.181 -5.334 84 HA PHE 9 HA PHE 9 -12.028 5.089 -4.187 85 1HB PHE 9 2HB PHE 9 -9.685 6.586 -2.990 86 2HB PHE 9 1HB PHE 9 -11.251 6.273 -2.240 87 HD1 PHE 9 HD1 PHE 9 -7.932 5.275 -2.214 88 HD2 PHE 9 HD2 PHE 9 -11.888 3.609 -2.336 89 HE1 PHE 9 HE1 PHE 9 -7.063 3.147 -1.284 90 HE2 PHE 9 HE2 PHE 9 -11.020 1.480 -1.406 91 HZ PHE 9 HZ PHE 9 -8.607 1.248 -0.880 92 H TYR 10 H TYR 10 -10.634 6.117 -6.673 93 HA TYR 10 HA TYR 10 -10.706 8.016 -8.082 94 1HB TYR 10 2HB TYR 10 -13.127 7.282 -7.416 95 2HB TYR 10 1HB TYR 10 -13.133 8.770 -6.468 96 HD1 TYR 10 HD1 TYR 10 -14.048 10.624 -7.533 97 HD2 TYR 10 HD2 TYR 10 -11.977 7.678 -9.876 98 HE1 TYR 10 HE1 TYR 10 -14.514 11.931 -9.588 99 HE2 TYR 10 HE2 TYR 10 -12.443 8.984 -11.930 100 HH TYR 10 HH TYR 10 -13.539 10.724 -12.792 101 H ASN 11 H ASN 11 -10.877 10.460 -8.097 102 HA ASN 11 HA ASN 11 -10.794 12.228 -5.957 103 1HB ASN 11 2HB ASN 11 -8.557 10.371 -5.972 104 2HB ASN 11 1HB ASN 11 -7.982 12.030 -6.118 105 1HD2 ASN 11 1HD2 ASN 11 -8.774 13.596 -4.413 106 2HD2 ASN 11 2HD2 ASN 11 -9.160 12.999 -2.872 107 H ALA 12 H ALA 12 -11.593 12.910 -8.295 108 HA ALA 12 HA ALA 12 -10.021 13.517 -10.481 109 1HB ALA 12 1HB ALA 12 -11.619 15.375 -10.828 110 2HB ALA 12 2HB ALA 12 -12.100 15.268 -9.135 111 3HB ALA 12 3HB ALA 12 -12.440 13.932 -10.234 112 H LYS 13 H LYS 13 -10.741 16.577 -9.086 113 HA LYS 13 HA LYS 13 -9.293 18.408 -8.684 114 1HB LYS 13 2HB LYS 13 -9.176 16.541 -6.721 115 2HB LYS 13 1HB LYS 13 -7.483 16.554 -7.215 116 1HG LYS 13 2HG LYS 13 -7.968 18.200 -5.400 117 2HG LYS 13 1HG LYS 13 -7.356 18.964 -6.868 118 1HD LYS 13 2HD LYS 13 -10.235 18.720 -6.997 119 2HD LYS 13 1HD LYS 13 -9.759 19.564 -5.522 120 1HE LYS 13 2HE LYS 13 -8.178 20.478 -7.791 121 2HE LYS 13 1HE LYS 13 -9.916 20.697 -8.081 122 1HZ LYS 13 1HZ LYS 13 -10.174 21.902 -6.125 123 2HZ LYS 13 2HZ LYS 13 -8.702 22.490 -6.736 124 3HZ LYS 13 3HZ LYS 13 -8.708 21.360 -5.468 125 H ASP 14 H ASP 14 -8.562 18.482 -10.933 126 HA ASP 14 HA ASP 14 -6.761 18.747 -12.452 127 1HB ASP 14 2HB ASP 14 -5.002 17.316 -10.456 128 2HB ASP 14 1HB ASP 14 -4.565 18.587 -11.596 129 H GLY 15 H GLY 15 -8.130 15.934 -11.339 130 1HA GLY 15 2HA GLY 15 -8.490 14.022 -12.763 131 2HA GLY 15 1HA GLY 15 -7.019 14.431 -13.646 132 H LEU 16 H LEU 16 -7.611 13.901 -10.150 133 HA LEU 16 HA LEU 16 -5.343 11.944 -10.191 134 1HB LEU 16 2HB LEU 16 -5.624 14.184 -8.731 135 2HB LEU 16 1HB LEU 16 -6.493 13.074 -7.674 136 HG LEU 16 HG LEU 16 -4.185 11.672 -8.442 137 1HD1 LEU 16 1HD1 LEU 16 -2.482 13.133 -8.681 138 2HD1 LEU 16 2HD1 LEU 16 -2.976 14.028 -7.244 139 3HD1 LEU 16 3HD1 LEU 16 -3.689 14.412 -8.811 140 1HD2 LEU 16 1HD2 LEU 16 -3.854 11.543 -6.146 141 2HD2 LEU 16 2HD2 LEU 16 -5.545 12.043 -6.187 142 3HD2 LEU 16 3HD2 LEU 16 -4.281 13.235 -5.885 143 2HN ABA 17 HN ABA 17 -5.674 10.145 -8.458 144 HA ABA 17 HA ABA 17 -8.263 9.385 -7.521 145 1HB ABA 17 1HB ABA 17 -7.462 8.505 -10.302 146 2HB ABA 17 2HB ABA 17 -8.956 9.296 -9.800 147 1HG ABA 17 1HG ABA 17 -9.063 7.093 -8.237 148 2HG ABA 17 2HG ABA 17 -8.162 6.439 -9.605 149 3HG ABA 17 3HG ABA 17 -9.757 7.150 -9.858 150 H GLN 18 H GLN 18 -6.836 8.655 -5.786 151 HA GLN 18 HA GLN 18 -4.613 7.003 -5.873 152 1HB GLN 18 2HB GLN 18 -7.041 6.803 -4.057 153 2HB GLN 18 1HB GLN 18 -5.441 6.159 -3.683 154 1HG GLN 18 2HG GLN 18 -5.033 8.176 -2.737 155 2HG GLN 18 1HG GLN 18 -4.890 8.774 -4.391 156 1HE2 GLN 18 1HE2 GLN 18 -7.544 8.025 -2.047 157 2HE2 GLN 18 2HE2 GLN 18 -8.466 9.395 -2.438 158 H THR 19 H THR 19 -4.506 5.387 -7.445 159 HA THR 19 HA THR 19 -6.752 3.430 -7.613 160 HB THR 19 HB THR 19 -4.430 4.163 -9.412 161 HG1 THR 19 HG1 THR 19 -6.200 4.791 -10.755 162 1HG2 THR 19 1HG2 THR 19 -6.409 1.905 -9.529 163 2HG2 THR 19 2HG2 THR 19 -4.678 1.883 -9.868 164 3HG2 THR 19 3HG2 THR 19 -5.793 2.616 -11.021 165 H PHE 20 H PHE 20 -5.986 2.354 -5.578 166 HA PHE 20 HA PHE 20 -3.400 0.910 -5.742 167 1HB PHE 20 2HB PHE 20 -4.030 1.876 -3.617 168 2HB PHE 20 1HB PHE 20 -5.639 1.161 -3.707 169 HD1 PHE 20 HD1 PHE 20 -6.019 -1.169 -3.170 170 HD2 PHE 20 HD2 PHE 20 -2.048 0.466 -3.174 171 HE1 PHE 20 HE1 PHE 20 -5.183 -3.197 -2.013 172 HE2 PHE 20 HE2 PHE 20 -1.212 -1.562 -2.018 173 HZ PHE 20 HZ PHE 20 -2.779 -3.394 -1.438 174 H VAL 21 H VAL 21 -4.002 -0.446 -7.620 175 HA VAL 21 HA VAL 21 -6.323 -2.240 -7.325 176 HB VAL 21 HB VAL 21 -4.193 -1.815 -9.433 177 1HG1 VAL 21 1HG1 VAL 21 -6.636 -3.604 -9.395 178 2HG1 VAL 21 2HG1 VAL 21 -4.961 -4.086 -9.662 179 3HG1 VAL 21 3HG1 VAL 21 -5.809 -3.133 -10.879 180 1HG2 VAL 21 1HG2 VAL 21 -7.131 -1.184 -9.628 181 2HG2 VAL 21 2HG2 VAL 21 -5.794 -0.514 -10.564 182 3HG2 VAL 21 3HG2 VAL 21 -6.012 -0.045 -8.877 183 H TYR 22 H TYR 22 -6.110 -4.572 -7.468 184 HA TYR 22 HA TYR 22 -3.515 -5.612 -6.379 185 1HB TYR 22 2HB TYR 22 -5.141 -5.848 -4.693 186 2HB TYR 22 1HB TYR 22 -6.427 -6.169 -5.851 187 HD1 TYR 22 HD1 TYR 22 -3.026 -7.720 -5.436 188 HD2 TYR 22 HD2 TYR 22 -7.279 -8.293 -5.403 189 HE1 TYR 22 HE1 TYR 22 -2.693 -10.157 -5.152 190 HE2 TYR 22 HE2 TYR 22 -6.948 -10.732 -5.120 191 HH TYR 22 HH TYR 22 -3.943 -12.243 -5.585 192 H GLY 23 H GLY 23 -2.659 -7.459 -7.400 193 1HA GLY 23 2HA GLY 23 -3.106 -7.978 -10.091 194 2HA GLY 23 1HA GLY 23 -2.478 -9.198 -8.983 195 H GLY 24 H GLY 24 -4.077 -10.049 -11.051 196 1HA GLY 24 2HA GLY 24 -5.783 -11.865 -10.582 197 2HA GLY 24 1HA GLY 24 -6.681 -10.633 -9.695 198 H CYS 25 H CYS 25 -7.187 -12.263 -12.286 199 HA CYS 25 HA CYS 25 -7.279 -10.436 -14.493 200 1HB CYS 25 2HB CYS 25 -7.727 -13.095 -14.045 201 2HB CYS 25 1HB CYS 25 -9.378 -12.512 -14.256 202 1HN NH2 26 1H CYS 25 -9.485 -10.946 -11.752 203 2HN NH2 26 2H CYS 25 -10.614 -9.762 -12.203 204 1HA MPT 1 1HA MPT 1 -0.573 -15.171 1.569 205 2HA MPT 1 2HA MPT 1 -0.424 -15.903 -0.036 206 1HB MPT 1 1HB MPT 1 1.506 -14.369 1.579 207 2HB MPT 1 2HB MPT 1 1.387 -13.797 -0.085 208 H LYS 2 H LYS 2 -1.266 -12.957 1.707 209 HA LYS 2 HA LYS 2 -2.990 -12.117 -0.520 210 1HB LYS 2 2HB LYS 2 -3.504 -12.041 1.974 211 2HB LYS 2 1HB LYS 2 -2.348 -10.712 2.089 212 1HG LYS 2 2HG LYS 2 -4.328 -9.536 1.761 213 2HG LYS 2 1HG LYS 2 -3.770 -9.715 0.097 214 1HD LYS 2 2HD LYS 2 -5.143 -11.869 0.014 215 2HD LYS 2 1HD LYS 2 -5.872 -11.348 1.533 216 1HE LYS 2 2HE LYS 2 -5.798 -9.313 -0.641 217 2HE LYS 2 1HE LYS 2 -6.921 -10.670 -0.862 218 1HZ LYS 2 1HZ LYS 2 -6.697 -8.986 1.579 219 2HZ LYS 2 2HZ LYS 2 -7.753 -10.303 1.380 220 3HZ LYS 2 3HZ LYS 2 -7.950 -8.903 0.438 221 H ALA 3 H ALA 3 -0.322 -12.064 -1.374 222 HA ALA 3 HA ALA 3 0.450 -9.172 -1.264 223 1HB ALA 3 1HB ALA 3 1.843 -11.564 -0.880 224 2HB ALA 3 2HB ALA 3 2.566 -9.973 -1.122 225 3HB ALA 3 3HB ALA 3 2.318 -11.047 -2.499 226 H ARG 4 H ARG 4 2.030 -9.165 -3.589 227 HA ARG 4 HA ARG 4 1.882 -8.905 -5.934 228 1HB ARG 4 2HB ARG 4 1.261 -11.370 -5.573 229 2HB ARG 4 1HB ARG 4 -0.421 -10.858 -5.724 230 1HG ARG 4 2HG ARG 4 0.266 -11.534 -7.916 231 2HG ARG 4 1HG ARG 4 0.238 -9.770 -7.931 232 1HD ARG 4 2HD ARG 4 2.764 -9.983 -7.232 233 2HD ARG 4 1HD ARG 4 2.614 -11.617 -7.907 234 HE ARG 4 HE ARG 4 2.039 -10.637 -10.055 235 1HH1 ARG 4 1HH1 ARG 4 4.499 -9.085 -9.476 236 2HH1 ARG 4 2HH1 ARG 4 3.979 -7.449 -9.703 237 1HH2 ARG 4 1HH2 ARG 4 0.602 -8.217 -9.523 238 2HH2 ARG 4 2HH2 ARG 4 1.773 -6.957 -9.730 239 H ILE 5 H ILE 5 0.859 -6.762 -4.886 240 HA ILE 5 HA ILE 5 -1.895 -6.449 -6.029 241 HB ILE 5 HB ILE 5 -1.827 -4.482 -4.240 242 1HG1 ILE 5 2HG1 ILE 5 0.636 -5.174 -3.747 243 2HG1 ILE 5 1HG1 ILE 5 -0.424 -4.831 -2.381 244 1HG2 ILE 5 1HG2 ILE 5 -3.420 -6.350 -4.233 245 2HG2 ILE 5 2HG2 ILE 5 -2.840 -6.028 -2.600 246 3HG2 ILE 5 3HG2 ILE 5 -2.204 -7.400 -3.507 247 1HD1 ILE 5 1HD1 ILE 5 -0.584 -7.622 -3.249 248 2HD1 ILE 5 2HD1 ILE 5 -0.318 -6.963 -1.635 249 3HD1 ILE 5 3HD1 ILE 5 1.042 -7.162 -2.741 250 H ILE 6 H ILE 6 -1.784 -5.236 -7.867 251 HA ILE 6 HA ILE 6 0.506 -3.556 -8.456 252 HB ILE 6 HB ILE 6 -1.066 -4.879 -10.016 253 1HG1 ILE 6 2HG1 ILE 6 0.685 -3.334 -10.818 254 2HG1 ILE 6 1HG1 ILE 6 -0.748 -3.256 -11.843 255 1HG2 ILE 6 1HG2 ILE 6 -2.962 -3.170 -8.876 256 2HG2 ILE 6 2HG2 ILE 6 -3.199 -4.238 -10.258 257 3HG2 ILE 6 3HG2 ILE 6 -2.728 -2.558 -10.512 258 1HD1 ILE 6 1HD1 ILE 6 -0.037 -0.991 -11.414 259 2HD1 ILE 6 2HD1 ILE 6 0.066 -1.295 -9.682 260 3HD1 ILE 6 3HD1 ILE 6 -1.506 -1.269 -10.482 261 H ARG 7 H ARG 7 0.046 -2.506 -6.233 262 HA ARG 7 HA ARG 7 -1.987 -0.595 -5.750 263 1HB ARG 7 2HB ARG 7 0.135 0.534 -4.521 264 2HB ARG 7 1HB ARG 7 -0.681 -0.886 -3.889 265 1HG ARG 7 2HG ARG 7 1.886 -0.960 -4.034 266 2HG ARG 7 1HG ARG 7 1.007 -2.348 -4.658 267 1HD ARG 7 2HD ARG 7 1.184 -0.812 -6.928 268 2HD ARG 7 1HD ARG 7 2.679 -0.391 -6.112 269 HE ARG 7 HE ARG 7 2.589 -3.113 -5.800 270 1HH1 ARG 7 1HH2 ARG 7 3.356 -0.864 -8.181 271 2HH1 ARG 7 2HH2 ARG 7 3.505 -2.016 -9.465 272 1HH2 ARG 7 1HH1 ARG 7 2.305 -4.668 -7.582 273 2HH2 ARG 7 2HH1 ARG 7 2.911 -4.170 -9.127 274 H TYR 8 H TYR 8 -2.440 0.576 -7.687 275 HA TYR 8 HA TYR 8 -0.317 2.221 -8.934 276 1HB TYR 8 2HB TYR 8 -2.926 1.099 -9.571 277 2HB TYR 8 1HB TYR 8 -2.855 2.808 -9.999 278 HD1 TYR 8 HD1 TYR 8 0.096 3.022 -10.590 279 HD2 TYR 8 HD2 TYR 8 -2.820 0.076 -11.713 280 HE1 TYR 8 HE1 TYR 8 1.433 2.465 -12.602 281 HE2 TYR 8 HE2 TYR 8 -1.483 -0.484 -13.724 282 HH TYR 8 HH TYR 8 0.930 1.450 -14.920 283 H PHE 9 H PHE 9 -1.026 4.588 -9.406 284 HA PHE 9 HA PHE 9 -2.707 5.796 -7.280 285 1HB PHE 9 2HB PHE 9 -0.355 5.529 -6.421 286 2HB PHE 9 1HB PHE 9 0.190 6.569 -7.738 287 HD1 PHE 9 HD1 PHE 9 -1.826 6.423 -4.638 288 HD2 PHE 9 HD2 PHE 9 -0.242 8.951 -7.729 289 HE1 PHE 9 HE1 PHE 9 -2.414 8.426 -3.301 290 HE2 PHE 9 HE2 PHE 9 -0.830 10.953 -6.390 291 HZ PHE 9 HZ PHE 9 -1.916 10.692 -4.177 292 H TYR 10 H TYR 10 -3.757 5.988 -9.608 293 HA TYR 10 HA TYR 10 -2.895 7.548 -11.711 294 1HB TYR 10 2HB TYR 10 -5.189 6.435 -11.089 295 2HB TYR 10 1HB TYR 10 -5.594 8.037 -10.472 296 HD1 TYR 10 HD1 TYR 10 -6.819 9.323 -11.968 297 HD2 TYR 10 HD2 TYR 10 -3.771 6.697 -13.474 298 HE1 TYR 10 HE1 TYR 10 -7.295 10.094 -14.277 299 HE2 TYR 10 HE2 TYR 10 -4.247 7.469 -15.782 300 HH TYR 10 HH TYR 10 -5.851 10.194 -16.515 301 H ASN 11 H ASN 11 -1.566 9.335 -11.306 302 HA ASN 11 HA ASN 11 -2.666 11.479 -9.522 303 1HB ASN 11 2HB ASN 11 -0.476 10.359 -8.956 304 2HB ASN 11 1HB ASN 11 0.178 10.996 -10.465 305 1HD2 ASN 11 1HD2 ASN 11 0.587 11.654 -7.400 306 2HD2 ASN 11 2HD2 ASN 11 0.527 13.350 -7.378 307 H ALA 12 H ALA 12 -3.235 13.381 -10.513 308 HA ALA 12 HA ALA 12 -3.264 13.711 -13.346 309 1HB ALA 12 1HB ALA 12 -3.495 15.581 -10.978 310 2HB ALA 12 2HB ALA 12 -4.801 14.898 -11.947 311 3HB ALA 12 3HB ALA 12 -3.743 16.129 -12.636 312 H LYS 13 H LYS 13 -2.169 15.755 -14.372 313 HA LYS 13 HA LYS 13 0.579 15.430 -14.652 314 1HB LYS 13 2HB LYS 13 -0.984 18.033 -14.708 315 2HB LYS 13 1HB LYS 13 0.519 17.706 -15.570 316 1HG LYS 13 2HG LYS 13 -0.770 15.721 -16.634 317 2HG LYS 13 1HG LYS 13 -2.220 16.551 -16.068 318 1HD LYS 13 2HD LYS 13 -0.105 17.987 -17.676 319 2HD LYS 13 1HD LYS 13 -1.416 17.101 -18.455 320 1HE LYS 13 2HE LYS 13 -2.216 18.966 -16.273 321 2HE LYS 13 1HE LYS 13 -1.659 19.704 -17.788 322 1HZ LYS 13 1HZ LYS 13 -3.138 18.129 -18.975 323 2HZ LYS 13 2HZ LYS 13 -3.981 19.240 -18.007 324 3HZ LYS 13 3HZ LYS 13 -3.771 17.639 -17.480 325 H ASP 14 H ASP 14 -1.140 17.001 -12.036 326 HA ASP 14 HA ASP 14 0.671 18.733 -10.873 327 1HB ASP 14 2HB ASP 14 -1.317 16.734 -9.907 328 2HB ASP 14 1HB ASP 14 -0.233 17.419 -8.696 329 H GLY 15 H GLY 15 0.940 15.224 -11.091 330 1HA GLY 15 2HA GLY 15 3.706 15.447 -10.009 331 2HA GLY 15 1HA GLY 15 2.628 14.212 -9.357 332 H CLH 16 H CLH 16 2.498 12.286 -10.433 333 HA CLH 16 HA CLH 16 2.747 11.911 -13.250 334 1HB CLH 16 1HB CLH 16 5.220 10.782 -12.519 335 2HB CLH 16 2HB CLH 16 5.191 12.368 -11.746 336 1HG CLH 16 1HG CLH 16 6.000 12.950 -13.841 337 2HG CLH 16 2HG CLH 16 4.267 13.122 -14.124 338 1HD CLH 16 1HD CLH 16 4.738 10.422 -14.593 339 2HD CLH 16 2HD CLH 16 6.162 11.210 -15.274 340 1HE CLH 16 1HE CLH 16 4.591 11.230 -17.063 341 2HE CLH 16 2HE CLH 16 4.430 12.852 -16.360 342 HNZ CLH 16 HNZ CLH 16 2.367 12.138 -15.317 343 1HI CLH 16 1HI CLH 16 0.763 10.419 -14.747 344 2HI CLH 16 2HI CLH 16 0.250 10.634 -16.422 345 HNJ CLH 16 HNJ CLH 16 1.340 7.996 -16.050 346 HL CLH 16 HL CLH 16 -0.214 6.384 -16.681 347 2HN ABA 17 HN ABA 17 0.950 10.592 -12.123 348 HA ABA 17 HA ABA 17 0.134 8.565 -11.186 349 1HB ABA 17 1HB ABA 17 0.911 8.184 -13.575 350 2HB ABA 17 2HB ABA 17 0.852 6.733 -12.575 351 1HG ABA 17 1HG ABA 17 3.326 7.164 -12.068 352 2HG ABA 17 2HG ABA 17 3.283 8.344 -13.377 353 3HG ABA 17 3HG ABA 17 2.949 6.645 -13.710 354 H GLN 18 H GLN 18 1.466 6.151 -10.656 355 HA GLN 18 HA GLN 18 3.883 6.248 -9.212 356 1HB GLN 18 2HB GLN 18 1.740 7.736 -8.019 357 2HB GLN 18 1HB GLN 18 2.102 6.356 -6.981 358 1HG GLN 18 2HG GLN 18 4.375 6.997 -6.736 359 2HG GLN 18 1HG GLN 18 4.285 8.127 -8.087 360 1HE2 GLN 18 1HE2 GLN 18 2.243 9.782 -7.635 361 2HE2 GLN 18 2HE2 GLN 18 2.307 10.509 -6.103 362 H THR 19 H THR 19 4.222 4.288 -7.970 363 HA THR 19 HA THR 19 2.028 2.376 -7.605 364 HB THR 19 HB THR 19 4.183 1.383 -9.404 365 HG1 THR 19 HG1 THR 19 3.746 2.704 -10.957 366 1HG2 THR 19 1HG2 THR 19 2.587 -0.138 -10.007 367 2HG2 THR 19 2HG2 THR 19 1.291 1.058 -9.983 368 3HG2 THR 19 3HG2 THR 19 1.864 0.348 -8.474 369 H PHE 20 H PHE 20 2.604 1.537 -5.630 370 HA PHE 20 HA PHE 20 5.461 1.402 -4.846 371 1HB PHE 20 2HB PHE 20 3.111 0.421 -3.232 372 2HB PHE 20 1HB PHE 20 4.601 1.172 -2.663 373 HD1 PHE 20 HD1 PHE 20 1.336 1.805 -2.587 374 HD2 PHE 20 HD2 PHE 20 4.858 3.558 -4.311 375 HE1 PHE 20 HE1 PHE 20 0.221 4.019 -2.610 376 HE2 PHE 20 HE2 PHE 20 3.743 5.773 -4.333 377 HZ PHE 20 HZ PHE 20 1.425 6.004 -3.482 378 H VAL 21 H VAL 21 6.353 -0.384 -6.023 379 HA VAL 21 HA VAL 21 4.910 -2.960 -6.056 380 HB VAL 21 HB VAL 21 7.632 -2.062 -7.062 381 1HG1 VAL 21 1HG1 VAL 21 6.075 -4.497 -7.940 382 2HG1 VAL 21 2HG1 VAL 21 7.242 -4.574 -6.621 383 3HG1 VAL 21 3HG1 VAL 21 7.770 -4.116 -8.241 384 1HG2 VAL 21 1HG2 VAL 21 5.323 -1.119 -7.971 385 2HG2 VAL 21 2HG2 VAL 21 5.265 -2.675 -8.798 386 3HG2 VAL 21 3HG2 VAL 21 6.608 -1.570 -9.090 387 H TYR 22 H TYR 22 5.195 -4.495 -4.508 388 HA TYR 22 HA TYR 22 7.782 -4.964 -3.224 389 1HB TYR 22 2HB TYR 22 7.126 -4.245 -1.018 390 2HB TYR 22 1HB TYR 22 6.748 -2.916 -2.116 391 HD1 TYR 22 HD1 TYR 22 4.330 -2.949 -3.160 392 HD2 TYR 22 HD2 TYR 22 5.457 -5.060 0.407 393 HE1 TYR 22 HE1 TYR 22 1.950 -3.060 -2.473 394 HE2 TYR 22 HE2 TYR 22 3.078 -5.170 1.094 395 HH TYR 22 HH TYR 22 0.620 -4.899 -0.754 396 H GLY 23 H GLY 23 5.434 -6.345 -4.663 397 1HA GLY 23 2HA GLY 23 4.113 -8.062 -2.785 398 2HA GLY 23 1HA GLY 23 4.287 -8.388 -4.510 399 H GLY 24 H GLY 24 4.687 -10.110 -2.018 400 1HA GLY 24 2HA GLY 24 7.513 -10.932 -2.561 401 2HA GLY 24 1HA GLY 24 6.678 -11.225 -1.034 402 H CYS 25 H CYS 25 4.165 -11.937 -2.517 403 HA CYS 25 HA CYS 25 4.983 -14.721 -3.259 404 1HB CYS 25 2HB CYS 25 2.619 -13.422 -1.945 405 2HB CYS 25 1HB CYS 25 2.380 -14.949 -2.794 406 1HN NH2 26 1H CYS 25 2.586 -15.433 -4.625 407 2HN NH2 26 2H CYS 25 2.481 -14.548 -6.070 Start of MODEL 2 1 1HA MPT 1 1HA MPT 1 -5.257 -19.177 -7.667 2 2HA MPT 1 2HA MPT 1 -4.142 -19.053 -9.036 3 1HB MPT 1 1HB MPT 1 -2.939 -17.273 -7.877 4 2HB MPT 1 2HB MPT 1 -3.105 -18.637 -6.771 5 H LYS 2 H LYS 2 -4.209 -17.067 -10.309 6 HA LYS 2 HA LYS 2 -5.304 -15.217 -11.317 7 1HB LYS 2 2HB LYS 2 -6.665 -17.502 -11.607 8 2HB LYS 2 1HB LYS 2 -7.872 -16.612 -10.677 9 1HG LYS 2 2HG LYS 2 -6.584 -15.705 -13.268 10 2HG LYS 2 1HG LYS 2 -8.250 -16.247 -13.066 11 1HD LYS 2 2HD LYS 2 -8.610 -14.372 -11.445 12 2HD LYS 2 1HD LYS 2 -6.987 -13.790 -11.820 13 1HE LYS 2 2HE LYS 2 -7.733 -13.771 -14.286 14 2HE LYS 2 1HE LYS 2 -9.386 -13.932 -13.658 15 1HZ LYS 2 1HZ LYS 2 -7.413 -11.815 -12.993 16 2HZ LYS 2 2HZ LYS 2 -8.869 -12.044 -12.148 17 3HZ LYS 2 3HZ LYS 2 -8.896 -11.616 -13.792 18 H ALA 3 H ALA 3 -4.697 -14.085 -9.095 19 HA ALA 3 HA ALA 3 -7.171 -13.296 -7.637 20 1HB ALA 3 1HB ALA 3 -4.235 -13.209 -6.918 21 2HB ALA 3 2HB ALA 3 -5.399 -14.403 -6.343 22 3HB ALA 3 3HB ALA 3 -5.553 -12.716 -5.854 23 H CLG 4 H CLG 4 -4.857 -11.234 -6.870 24 HA CLG 4 HA CLG 4 -4.512 -8.936 -7.326 25 1HB CLG 4 1HB CLG 4 -4.874 -9.372 -10.222 26 2HB CLG 4 2HB CLG 4 -3.786 -10.527 -9.452 27 1HG CLG 4 1HG CLG 4 -2.600 -8.550 -8.398 28 2HG CLG 4 2HG CLG 4 -3.580 -7.503 -9.427 29 1HD CLG 4 1HD CLG 4 -2.269 -7.922 -11.217 30 2HD CLG 4 2HD CLG 4 -2.378 -9.664 -10.960 31 1HE CLG 4 1HE CLG 4 -0.300 -9.710 -10.038 32 2HE CLG 4 2HE CLG 4 -0.706 -8.382 -8.933 33 HNZ CLG 4 HNZ CLG 4 -0.337 -6.874 -10.995 34 1HI CLG 4 1HI CLG 4 2.367 -6.413 -11.667 35 2HI CLG 4 2HI CLG 4 2.562 -7.639 -12.921 36 HNJ CLG 4 HNJ CLG 4 0.078 -6.906 -13.494 37 1HL CLG 4 1HL CLG 4 -0.094 -4.970 -15.246 38 2HL CLG 4 2HL CLG 4 -1.016 -4.555 -13.804 39 H ILE 5 H ILE 5 -6.328 -7.792 -6.639 40 HA ILE 5 HA ILE 5 -8.652 -7.650 -8.530 41 HB ILE 5 HB ILE 5 -8.878 -8.639 -6.171 42 1HG1 ILE 5 2HG1 ILE 5 -10.795 -7.809 -7.524 43 2HG1 ILE 5 1HG1 ILE 5 -11.036 -7.534 -5.798 44 1HG2 ILE 5 1HG2 ILE 5 -8.862 -7.163 -4.302 45 2HG2 ILE 5 2HG2 ILE 5 -8.795 -5.735 -5.334 46 3HG2 ILE 5 3HG2 ILE 5 -7.389 -6.791 -5.198 47 1HD1 ILE 5 1HD1 ILE 5 -9.921 -5.213 -6.282 48 2HD1 ILE 5 2HD1 ILE 5 -11.616 -5.457 -6.705 49 3HD1 ILE 5 3HD1 ILE 5 -10.372 -5.546 -7.953 50 H ILE 6 H ILE 6 -8.725 -5.718 -9.603 51 HA ILE 6 HA ILE 6 -7.161 -3.415 -8.668 52 HB ILE 6 HB ILE 6 -9.068 -3.797 -10.999 53 1HG1 ILE 6 2HG1 ILE 6 -6.049 -3.909 -11.060 54 2HG1 ILE 6 1HG1 ILE 6 -7.020 -5.354 -10.775 55 1HG2 ILE 6 1HG2 ILE 6 -7.407 -1.953 -11.896 56 2HG2 ILE 6 2HG2 ILE 6 -7.154 -1.633 -10.179 57 3HG2 ILE 6 3HG2 ILE 6 -8.769 -1.489 -10.876 58 1HD1 ILE 6 1HD1 ILE 6 -8.077 -5.190 -12.899 59 2HD1 ILE 6 2HD1 ILE 6 -6.371 -4.875 -13.213 60 3HD1 ILE 6 3HD1 ILE 6 -7.516 -3.536 -13.136 61 H ARG 7 H ARG 7 -8.166 -1.271 -8.377 62 HA ARG 7 HA ARG 7 -10.950 -0.757 -8.189 63 1HB ARG 7 2HB ARG 7 -9.891 -2.498 -6.177 64 2HB ARG 7 1HB ARG 7 -10.337 -0.977 -5.401 65 1HG ARG 7 2HG ARG 7 -12.116 -2.703 -7.149 66 2HG ARG 7 1HG ARG 7 -12.275 -2.450 -5.411 67 1HD ARG 7 2HD ARG 7 -12.202 0.046 -6.994 68 2HD ARG 7 1HD ARG 7 -13.626 -0.974 -7.279 69 HE ARG 7 HE ARG 7 -13.124 -0.898 -4.473 70 1HH1 ARG 7 1HH1 ARG 7 -13.036 1.848 -6.297 71 2HH1 ARG 7 2HH1 ARG 7 -14.481 2.561 -5.664 72 1HH2 ARG 7 1HH2 ARG 7 -15.474 -0.303 -3.981 73 2HH2 ARG 7 2HH2 ARG 7 -15.862 1.344 -4.353 74 H TYR 8 H TYR 8 -10.466 1.387 -8.721 75 HA TYR 8 HA TYR 8 -8.804 2.909 -6.737 76 1HB TYR 8 2HB TYR 8 -8.062 4.240 -8.718 77 2HB TYR 8 1HB TYR 8 -7.620 2.537 -8.850 78 HD1 TYR 8 HD1 TYR 8 -8.791 1.040 -10.399 79 HD2 TYR 8 HD2 TYR 8 -9.806 5.205 -10.122 80 HE1 TYR 8 HE1 TYR 8 -10.062 0.872 -12.522 81 HE2 TYR 8 HE2 TYR 8 -11.078 5.036 -12.244 82 HH TYR 8 HH TYR 8 -10.810 3.200 -14.406 83 H PHE 9 H PHE 9 -9.278 5.406 -7.180 84 HA PHE 9 HA PHE 9 -12.237 5.768 -7.527 85 1HB PHE 9 2HB PHE 9 -10.456 7.219 -5.552 86 2HB PHE 9 1HB PHE 9 -12.220 7.170 -5.577 87 HD1 PHE 9 HD1 PHE 9 -9.246 5.640 -4.296 88 HD2 PHE 9 HD2 PHE 9 -13.347 4.853 -5.306 89 HE1 PHE 9 HE1 PHE 9 -9.213 3.620 -2.858 90 HE2 PHE 9 HE2 PHE 9 -13.314 2.834 -3.869 91 HZ PHE 9 HZ PHE 9 -11.247 2.216 -2.644 92 H TYR 10 H TYR 10 -12.414 6.978 -9.390 93 HA TYR 10 HA TYR 10 -10.331 8.695 -10.408 94 1HB TYR 10 2HB TYR 10 -12.380 7.451 -11.503 95 2HB TYR 10 1HB TYR 10 -13.241 8.942 -11.120 96 HD1 TYR 10 HD1 TYR 10 -12.933 10.909 -12.412 97 HD2 TYR 10 HD2 TYR 10 -10.255 7.585 -12.889 98 HE1 TYR 10 HE1 TYR 10 -11.926 12.005 -14.396 99 HE2 TYR 10 HE2 TYR 10 -9.248 8.681 -14.873 100 HH TYR 10 HH TYR 10 -9.014 11.079 -15.726 101 H ASN 11 H ASN 11 -10.057 10.908 -10.159 102 HA ASN 11 HA ASN 11 -12.157 12.481 -8.746 103 1HB ASN 11 2HB ASN 11 -9.326 11.913 -7.857 104 2HB ASN 11 1HB ASN 11 -10.181 13.353 -7.302 105 1HD2 ASN 11 1HD2 ASN 11 -9.711 10.029 -6.664 106 2HD2 ASN 11 2HD2 ASN 11 -11.008 9.809 -5.591 107 H ALA 12 H ALA 12 -12.141 13.217 -11.136 108 HA ALA 12 HA ALA 12 -9.997 14.547 -12.393 109 1HB ALA 12 1HB ALA 12 -12.998 14.831 -12.394 110 2HB ALA 12 2HB ALA 12 -11.957 14.138 -13.638 111 3HB ALA 12 3HB ALA 12 -12.004 15.884 -13.400 112 H LYS 13 H LYS 13 -12.241 15.738 -9.913 113 HA LYS 13 HA LYS 13 -11.793 18.492 -9.963 114 1HB LYS 13 2HB LYS 13 -12.376 16.405 -7.925 115 2HB LYS 13 1HB LYS 13 -11.825 17.957 -7.297 116 1HG LYS 13 2HG LYS 13 -14.118 18.326 -7.428 117 2HG LYS 13 1HG LYS 13 -13.590 18.931 -8.999 118 1HD LYS 13 2HD LYS 13 -14.161 16.030 -8.902 119 2HD LYS 13 1HD LYS 13 -15.563 17.076 -8.678 120 1HE LYS 13 2HE LYS 13 -15.173 18.193 -10.777 121 2HE LYS 13 1HE LYS 13 -13.589 17.414 -10.960 122 1HZ LYS 13 1HZ LYS 13 -14.720 15.253 -10.903 123 2HZ LYS 13 2HZ LYS 13 -15.233 16.197 -12.218 124 3HZ LYS 13 3HZ LYS 13 -16.222 16.038 -10.845 125 H ASP 14 H ASP 14 -10.121 16.666 -7.436 126 HA ASP 14 HA ASP 14 -7.812 18.439 -7.554 127 1HB ASP 14 2HB ASP 14 -7.060 17.060 -5.695 128 2HB ASP 14 1HB ASP 14 -8.795 17.321 -5.511 129 H GLY 15 H GLY 15 -8.784 15.920 -9.514 130 1HA GLY 15 2HA GLY 15 -7.645 14.609 -11.092 131 2HA GLY 15 1HA GLY 15 -6.284 15.711 -10.880 132 H LEU 16 H LEU 16 -7.728 13.781 -8.298 133 HA LEU 16 HA LEU 16 -5.092 12.401 -7.978 134 1HB LEU 16 2HB LEU 16 -6.024 13.862 -6.159 135 2HB LEU 16 1HB LEU 16 -7.400 12.764 -6.040 136 HG LEU 16 HG LEU 16 -5.142 11.100 -5.956 137 1HD1 LEU 16 1HD1 LEU 16 -4.599 12.871 -3.699 138 2HD1 LEU 16 2HD1 LEU 16 -4.293 13.661 -5.247 139 3HD1 LEU 16 3HD1 LEU 16 -3.475 12.150 -4.851 140 1HD2 LEU 16 1HD2 LEU 16 -7.096 10.612 -4.682 141 2HD2 LEU 16 2HD2 LEU 16 -7.050 12.177 -3.871 142 3HD2 LEU 16 3HD2 LEU 16 -5.845 10.949 -3.486 143 2HN ABA 17 HN ABA 17 -5.722 10.796 -9.669 144 HA ABA 17 HA ABA 17 -8.051 9.083 -9.228 145 1HB ABA 17 1HB ABA 17 -5.613 8.738 -11.003 146 2HB ABA 17 2HB ABA 17 -7.037 9.681 -11.444 147 1HG ABA 17 1HG ABA 17 -6.765 6.708 -11.089 148 2HG ABA 17 2HG ABA 17 -7.519 7.605 -12.407 149 3HG ABA 17 3HG ABA 17 -8.335 7.475 -10.849 150 H GLN 18 H GLN 18 -6.837 8.910 -6.842 151 HA GLN 18 HA GLN 18 -4.683 7.173 -6.392 152 1HB GLN 18 2HB GLN 18 -6.157 8.539 -4.787 153 2HB GLN 18 1HB GLN 18 -7.262 7.164 -4.809 154 1HG GLN 18 2HG GLN 18 -4.459 6.400 -4.374 155 2HG GLN 18 1HG GLN 18 -5.111 7.434 -3.102 156 1HE2 GLN 18 1HE2 GLN 18 -5.742 6.040 -1.436 157 2HE2 GLN 18 2HE2 GLN 18 -6.681 4.642 -1.650 158 H THR 19 H THR 19 -4.423 4.938 -6.472 159 HA THR 19 HA THR 19 -6.833 3.287 -7.141 160 HB THR 19 HB THR 19 -4.087 3.323 -8.432 161 HG1 THR 19 HG1 THR 19 -5.562 3.654 -10.292 162 1HG2 THR 19 1HG2 THR 19 -6.239 1.277 -8.371 163 2HG2 THR 19 2HG2 THR 19 -4.504 1.079 -8.613 164 3HG2 THR 19 3HG2 THR 19 -5.525 1.614 -9.948 165 H PHE 20 H PHE 20 -6.703 1.096 -6.385 166 HA PHE 20 HA PHE 20 -4.316 0.303 -4.808 167 1HB PHE 20 2HB PHE 20 -6.389 1.640 -3.623 168 2HB PHE 20 1HB PHE 20 -6.901 -0.035 -3.413 169 HD1 PHE 20 HD1 PHE 20 -4.770 -1.656 -2.806 170 HD2 PHE 20 HD2 PHE 20 -5.146 2.519 -1.867 171 HE1 PHE 20 HE1 PHE 20 -3.141 -1.925 -0.956 172 HE2 PHE 20 HE2 PHE 20 -3.517 2.250 -0.017 173 HZ PHE 20 HZ PHE 20 -2.514 0.027 0.439 174 H VAL 21 H VAL 21 -4.018 -1.524 -6.136 175 HA VAL 21 HA VAL 21 -6.316 -3.365 -6.546 176 HB VAL 21 HB VAL 21 -3.486 -3.302 -7.635 177 1HG1 VAL 21 1HG1 VAL 21 -3.910 -5.260 -8.683 178 2HG1 VAL 21 2HG1 VAL 21 -5.534 -4.749 -9.142 179 3HG1 VAL 21 3HG1 VAL 21 -5.247 -5.446 -7.548 180 1HG2 VAL 21 1HG2 VAL 21 -4.286 -1.663 -8.960 181 2HG2 VAL 21 2HG2 VAL 21 -5.910 -1.855 -8.300 182 3HG2 VAL 21 3HG2 VAL 21 -5.386 -2.852 -9.658 183 H TYR 22 H TYR 22 -2.907 -4.166 -6.117 184 HA TYR 22 HA TYR 22 -1.824 -5.557 -4.529 185 1HB TYR 22 2HB TYR 22 -3.532 -4.056 -3.119 186 2HB TYR 22 1HB TYR 22 -4.321 -5.615 -2.882 187 HD1 TYR 22 HD1 TYR 22 -2.077 -3.458 -1.406 188 HD2 TYR 22 HD2 TYR 22 -2.417 -7.596 -2.508 189 HE1 TYR 22 HE1 TYR 22 -0.403 -4.056 0.321 190 HE2 TYR 22 HE2 TYR 22 -0.743 -8.193 -0.781 191 HH TYR 22 HH TYR 22 0.121 -6.228 1.698 192 H GLY 23 H GLY 23 -1.590 -7.645 -5.233 193 1HA GLY 23 2HA GLY 23 -4.056 -9.304 -5.548 194 2HA GLY 23 1HA GLY 23 -2.554 -9.578 -6.432 195 H GLY 24 H GLY 24 -4.301 -10.291 -3.557 196 1HA GLY 24 2HA GLY 24 -2.079 -11.160 -1.929 197 2HA GLY 24 1HA GLY 24 -3.768 -11.609 -1.683 198 H CYS 25 H CYS 25 -1.015 -12.309 -3.855 199 HA CYS 25 HA CYS 25 -1.165 -15.140 -3.524 200 1HB CYS 25 2HB CYS 25 -3.271 -14.017 -5.020 201 2HB CYS 25 1HB CYS 25 -2.196 -14.752 -6.210 202 1HN NH2 26 1H CYS 25 -0.882 -13.206 -6.561 203 2HN NH2 26 2H CYS 25 0.754 -13.568 -6.825 204 1HA MPT 1 1HA MPT 1 7.824 -12.125 1.863 205 2HA MPT 1 2HA MPT 1 9.183 -13.206 1.517 206 1HB MPT 1 1HB MPT 1 8.996 -10.268 1.483 207 2HB MPT 1 2HB MPT 1 9.719 -10.925 0.015 208 H LYS 2 H LYS 2 6.312 -13.341 0.612 209 HA LYS 2 HA LYS 2 6.816 -13.276 -2.348 210 1HB LYS 2 2HB LYS 2 5.613 -15.342 -0.507 211 2HB LYS 2 1HB LYS 2 5.233 -15.342 -2.229 212 1HG LYS 2 2HG LYS 2 7.954 -15.065 -2.287 213 2HG LYS 2 1HG LYS 2 7.742 -16.075 -0.857 214 1HD LYS 2 2HD LYS 2 6.179 -16.785 -3.302 215 2HD LYS 2 1HD LYS 2 7.906 -17.143 -3.298 216 1HE LYS 2 2HE LYS 2 7.551 -18.287 -1.045 217 2HE LYS 2 1HE LYS 2 5.808 -18.147 -1.351 218 1HZ LYS 2 1HZ LYS 2 6.178 -19.208 -3.522 219 2HZ LYS 2 2HZ LYS 2 6.604 -20.230 -2.233 220 3HZ LYS 2 3HZ LYS 2 7.811 -19.438 -3.128 221 H ALA 3 H ALA 3 5.578 -11.106 -1.037 222 HA ALA 3 HA ALA 3 2.655 -11.484 -1.537 223 1HB ALA 3 1HB ALA 3 2.436 -9.483 -0.156 224 2HB ALA 3 2HB ALA 3 4.180 -9.229 -0.196 225 3HB ALA 3 3HB ALA 3 3.511 -10.618 0.660 226 H ARG 4 H ARG 4 2.136 -10.958 -3.642 227 HA ARG 4 HA ARG 4 3.676 -8.816 -5.023 228 1HB ARG 4 2HB ARG 4 1.668 -10.901 -5.935 229 2HB ARG 4 1HB ARG 4 2.473 -9.761 -7.014 230 1HG ARG 4 2HG ARG 4 4.115 -11.473 -5.169 231 2HG ARG 4 1HG ARG 4 3.502 -12.151 -6.678 232 1HD ARG 4 2HD ARG 4 5.182 -9.625 -6.447 233 2HD ARG 4 1HD ARG 4 5.755 -11.200 -7.031 234 HE ARG 4 HE ARG 4 3.452 -10.623 -8.531 235 1HH1 ARG 4 1HH1 ARG 4 6.792 -10.090 -8.441 236 2HH1 ARG 4 2HH1 ARG 4 6.816 -8.978 -9.768 237 1HH2 ARG 4 1HH2 ARG 4 3.363 -8.811 -10.038 238 2HH2 ARG 4 2HH2 ARG 4 4.876 -8.254 -10.672 239 H ILE 5 H ILE 5 2.777 -6.847 -4.360 240 HA ILE 5 HA ILE 5 -0.191 -6.566 -4.642 241 HB ILE 5 HB ILE 5 -0.159 -5.245 -2.763 242 1HG1 ILE 5 2HG1 ILE 5 1.118 -3.441 -3.891 243 2HG1 ILE 5 1HG1 ILE 5 1.601 -3.633 -2.206 244 1HG2 ILE 5 1HG2 ILE 5 1.603 -5.880 -1.156 245 2HG2 ILE 5 2HG2 ILE 5 2.558 -6.554 -2.474 246 3HG2 ILE 5 3HG2 ILE 5 1.012 -7.284 -2.044 247 1HD1 ILE 5 1HD1 ILE 5 3.525 -3.408 -3.826 248 2HD1 ILE 5 2HD1 ILE 5 3.041 -4.960 -4.511 249 3HD1 ILE 5 3HD1 ILE 5 3.570 -4.864 -2.832 250 H ILE 6 H ILE 6 -0.745 -4.152 -5.281 251 HA ILE 6 HA ILE 6 1.221 -2.722 -6.875 252 HB ILE 6 HB ILE 6 0.801 -4.758 -8.238 253 1HG1 ILE 6 2HG1 ILE 6 -0.393 -2.224 -9.411 254 2HG1 ILE 6 1HG1 ILE 6 1.329 -2.605 -9.346 255 1HG2 ILE 6 1HG2 ILE 6 -1.651 -4.842 -7.333 256 2HG2 ILE 6 2HG2 ILE 6 -1.337 -5.363 -8.988 257 3HG2 ILE 6 3HG2 ILE 6 -2.003 -3.760 -8.680 258 1HD1 ILE 6 1HD1 ILE 6 -0.832 -3.925 -10.974 259 2HD1 ILE 6 2HD1 ILE 6 0.651 -4.796 -10.583 260 3HD1 ILE 6 3HD1 ILE 6 0.727 -3.297 -11.509 261 H ARG 7 H ARG 7 0.470 -0.651 -7.307 262 HA ARG 7 HA ARG 7 -2.332 0.014 -7.589 263 1HB ARG 7 2HB ARG 7 -2.733 0.970 -5.441 264 2HB ARG 7 1HB ARG 7 -1.997 -0.599 -5.119 265 1HG ARG 7 2HG ARG 7 -0.575 0.592 -3.807 266 2HG ARG 7 1HG ARG 7 0.213 1.006 -5.331 267 1HD ARG 7 2HD ARG 7 -0.165 3.146 -4.485 268 2HD ARG 7 1HD ARG 7 -1.693 2.900 -5.354 269 HE ARG 7 HE ARG 7 -2.104 1.740 -2.849 270 1HH1 ARG 7 1HH2 ARG 7 -0.258 3.894 -1.863 271 2HH1 ARG 7 2HH2 ARG 7 -1.362 5.188 -1.532 272 1HH2 ARG 7 1HH1 ARG 7 -3.949 3.809 -3.383 273 2HH2 ARG 7 2HH1 ARG 7 -3.451 5.140 -2.394 274 H TYR 8 H TYR 8 -2.574 2.186 -8.238 275 HA TYR 8 HA TYR 8 -0.027 3.742 -8.552 276 1HB TYR 8 2HB TYR 8 -2.428 4.256 -10.255 277 2HB TYR 8 1HB TYR 8 -0.724 4.278 -10.695 278 HD1 TYR 8 HD1 TYR 8 -3.659 2.613 -11.328 279 HD2 TYR 8 HD2 TYR 8 0.402 1.775 -10.214 280 HE1 TYR 8 HE1 TYR 8 -3.877 0.323 -12.254 281 HE2 TYR 8 HE2 TYR 8 0.185 -0.514 -11.139 282 HH TYR 8 HH TYR 8 -1.236 -1.673 -12.858 283 H PHE 9 H PHE 9 -0.035 5.481 -7.133 284 HA PHE 9 HA PHE 9 -2.511 7.114 -6.924 285 1HB PHE 9 2HB PHE 9 -2.919 5.663 -5.139 286 2HB PHE 9 1HB PHE 9 -1.206 5.468 -4.776 287 HD1 PHE 9 HD1 PHE 9 -3.648 8.317 -5.036 288 HD2 PHE 9 HD2 PHE 9 -0.503 6.439 -2.794 289 HE1 PHE 9 HE1 PHE 9 -3.796 10.109 -3.329 290 HE2 PHE 9 HE2 PHE 9 -0.650 8.230 -1.086 291 HZ PHE 9 HZ PHE 9 -2.298 10.066 -1.352 292 H TYR 10 H TYR 10 -1.455 8.975 -7.758 293 HA TYR 10 HA TYR 10 0.958 9.906 -6.241 294 1HB TYR 10 2HB TYR 10 1.432 9.513 -8.582 295 2HB TYR 10 1HB TYR 10 0.005 10.429 -9.067 296 HD1 TYR 10 HD1 TYR 10 2.487 11.237 -6.401 297 HD2 TYR 10 HD2 TYR 10 0.899 12.274 -10.255 298 HE1 TYR 10 HE1 TYR 10 3.823 13.326 -6.390 299 HE2 TYR 10 HE2 TYR 10 2.235 14.363 -10.243 300 HH TYR 10 HH TYR 10 4.371 15.162 -7.497 301 H ASN 11 H ASN 11 -1.050 11.820 -8.401 302 HA ASN 11 HA ASN 11 -2.784 13.063 -6.520 303 1HB ASN 11 2HB ASN 11 -0.843 13.778 -5.327 304 2HB ASN 11 1HB ASN 11 -0.002 14.216 -6.814 305 1HD2 ASN 11 1HD2 ASN 11 0.249 16.476 -6.478 306 2HD2 ASN 11 2HD2 ASN 11 -1.057 17.540 -6.271 307 H ALA 12 H ALA 12 -0.700 13.509 -9.353 308 HA ALA 12 HA ALA 12 -2.503 15.554 -10.502 309 1HB ALA 12 1HB ALA 12 -0.159 15.898 -10.803 310 2HB ALA 12 2HB ALA 12 -0.744 15.336 -12.370 311 3HB ALA 12 3HB ALA 12 0.097 14.222 -11.291 312 H LYS 13 H LYS 13 -4.136 15.034 -11.908 313 HA LYS 13 HA LYS 13 -5.176 12.536 -12.420 314 1HB LYS 13 2HB LYS 13 -5.842 13.702 -14.714 315 2HB LYS 13 1HB LYS 13 -6.474 14.304 -13.185 316 1HG LYS 13 2HG LYS 13 -5.291 16.242 -13.317 317 2HG LYS 13 1HG LYS 13 -3.857 15.437 -13.955 318 1HD LYS 13 2HD LYS 13 -5.980 15.293 -15.897 319 2HD LYS 13 1HD LYS 13 -5.756 16.969 -15.396 320 1HE LYS 13 2HE LYS 13 -3.147 16.090 -15.670 321 2HE LYS 13 1HE LYS 13 -3.983 15.263 -17.001 322 1HZ LYS 13 1HZ LYS 13 -3.317 17.503 -17.652 323 2HZ LYS 13 2HZ LYS 13 -4.201 18.157 -16.356 324 3HZ LYS 13 3HZ LYS 13 -5.007 17.361 -17.621 325 H ASP 14 H ASP 14 -3.492 14.079 -15.163 326 HA ASP 14 HA ASP 14 -2.668 11.439 -16.152 327 1HB ASP 14 2HB ASP 14 -2.092 12.677 -18.119 328 2HB ASP 14 1HB ASP 14 -3.547 13.444 -17.483 329 H GLY 15 H GLY 15 -1.441 13.024 -13.677 330 1HA GLY 15 2HA GLY 15 1.381 13.173 -14.522 331 2HA GLY 15 1HA GLY 15 0.758 13.575 -12.921 332 H CLH 16 H CLH 16 -0.324 10.597 -14.273 333 HA CLH 16 HA CLH 16 0.180 8.353 -13.731 334 1HB CLH 16 1HB CLH 16 2.809 8.822 -12.603 335 2HB CLH 16 2HB CLH 16 2.594 9.771 -14.074 336 1HG CLH 16 1HG CLH 16 3.496 7.456 -14.484 337 2HG CLH 16 2HG CLH 16 1.985 7.785 -15.329 338 1HD CLH 16 1HD CLH 16 0.717 6.561 -13.683 339 2HD CLH 16 2HD CLH 16 2.122 6.422 -12.625 340 1HE CLH 16 1HE CLH 16 3.032 4.702 -13.862 341 2HE CLH 16 2HE CLH 16 2.429 5.357 -15.398 342 HNZ CLH 16 HNZ CLH 16 0.168 4.620 -13.861 343 1HI CLH 16 1HI CLH 16 -0.441 2.060 -13.517 344 2HI CLH 16 2HI CLH 16 -1.038 2.690 -15.052 345 HNJ CLH 16 HNJ CLH 16 0.819 0.712 -15.738 346 HL CLH 16 HL CLH 16 0.028 -1.130 -16.638 347 2HN ABA 17 HN ABA 17 -0.220 7.127 -11.895 348 HA ABA 17 HA ABA 17 -0.215 8.574 -9.275 349 1HB ABA 17 1HB ABA 17 -2.005 7.044 -8.713 350 2HB ABA 17 2HB ABA 17 -1.672 6.062 -10.137 351 1HG ABA 17 1HG ABA 17 -2.406 8.983 -10.360 352 2HG ABA 17 2HG ABA 17 -3.639 7.723 -10.289 353 3HG ABA 17 3HG ABA 17 -2.471 7.742 -11.612 354 H GLN 18 H GLN 18 1.180 7.878 -7.717 355 HA GLN 18 HA GLN 18 3.394 6.406 -7.753 356 1HB GLN 18 2HB GLN 18 2.306 7.405 -5.745 357 2HB GLN 18 1HB GLN 18 1.222 6.015 -5.667 358 1HG GLN 18 2HG GLN 18 2.946 4.539 -5.082 359 2HG GLN 18 1HG GLN 18 4.203 5.604 -5.711 360 1HE2 GLN 18 1HE2 GLN 18 2.209 4.899 -2.911 361 2HE2 GLN 18 2HE2 GLN 18 2.901 6.062 -1.886 362 H THR 19 H THR 19 3.249 4.775 -9.451 363 HA THR 19 HA THR 19 1.549 2.407 -8.905 364 HB THR 19 HB THR 19 3.240 3.373 -11.216 365 HG1 THR 19 HG1 THR 19 1.198 3.525 -12.181 366 1HG2 THR 19 1HG2 THR 19 3.344 1.262 -11.975 367 2HG2 THR 19 2HG2 THR 19 1.581 1.219 -12.007 368 3HG2 THR 19 3HG2 THR 19 2.449 0.685 -10.568 369 H PHE 20 H PHE 20 2.514 0.957 -7.495 370 HA PHE 20 HA PHE 20 5.321 0.149 -8.151 371 1HB PHE 20 2HB PHE 20 5.745 0.013 -5.704 372 2HB PHE 20 1HB PHE 20 5.345 1.651 -6.215 373 HD1 PHE 20 HD1 PHE 20 3.980 -1.417 -4.615 374 HD2 PHE 20 HD2 PHE 20 3.401 2.762 -5.411 375 HE1 PHE 20 HE1 PHE 20 2.102 -1.369 -2.996 376 HE2 PHE 20 HE2 PHE 20 1.524 2.812 -3.793 377 HZ PHE 20 HZ PHE 20 0.873 0.746 -2.586 378 H VAL 21 H VAL 21 5.469 -2.020 -8.451 379 HA VAL 21 HA VAL 21 3.193 -3.743 -7.547 380 HB VAL 21 HB VAL 21 5.291 -4.597 -9.512 381 1HG1 VAL 21 1HG1 VAL 21 3.742 -6.166 -9.988 382 2HG1 VAL 21 2HG1 VAL 21 2.487 -4.946 -10.206 383 3HG1 VAL 21 3HG1 VAL 21 2.833 -5.578 -8.596 384 1HG2 VAL 21 1HG2 VAL 21 3.113 -2.552 -10.045 385 2HG2 VAL 21 2HG2 VAL 21 3.914 -3.468 -11.322 386 3HG2 VAL 21 3HG2 VAL 21 4.846 -2.361 -10.314 387 H TYR 22 H TYR 22 4.834 -6.122 -8.053 388 HA TYR 22 HA TYR 22 5.937 -7.668 -6.633 389 1HB TYR 22 2HB TYR 22 8.275 -7.024 -6.407 390 2HB TYR 22 1HB TYR 22 7.672 -6.419 -7.950 391 HD1 TYR 22 HD1 TYR 22 7.465 -4.068 -8.385 392 HD2 TYR 22 HD2 TYR 22 8.552 -5.469 -4.473 393 HE1 TYR 22 HE1 TYR 22 8.064 -1.755 -7.723 394 HE2 TYR 22 HE2 TYR 22 9.150 -3.156 -3.810 395 HH TYR 22 HH TYR 22 9.617 -0.685 -5.990 396 H GLY 23 H GLY 23 7.601 -7.333 -4.446 397 1HA GLY 23 2HA GLY 23 5.715 -6.154 -2.453 398 2HA GLY 23 1HA GLY 23 6.853 -7.457 -2.107 399 H GLY 24 H GLY 24 9.236 -6.800 -2.489 400 1HA GLY 24 2HA GLY 24 10.740 -4.763 -2.616 401 2HA GLY 24 1HA GLY 24 9.618 -4.006 -1.483 402 H CYS 25 H CYS 25 11.067 -7.273 -1.547 403 HA CYS 25 HA CYS 25 11.782 -6.929 1.323 404 1HB CYS 25 2HB CYS 25 10.473 -8.891 0.253 405 2HB CYS 25 1HB CYS 25 12.033 -9.410 -0.385 406 1HN NH2 26 1H CYS 25 13.817 -5.816 1.350 407 2HN NH2 26 2H CYS 25 15.203 -6.381 0.549 Start of MODEL 3 1 1HA MPT 1 1HA MPT 1 -0.580 -14.068 -12.818 2 2HA MPT 1 2HA MPT 1 -1.606 -12.820 -12.094 3 1HB MPT 1 1HB MPT 1 -1.521 -15.803 -11.629 4 2HB MPT 1 2HB MPT 1 -3.007 -14.910 -11.306 5 H LYS 2 H LYS 2 -4.016 -13.090 -12.615 6 HA LYS 2 HA LYS 2 -4.339 -13.936 -15.460 7 1HB LYS 2 2HB LYS 2 -6.245 -14.224 -13.129 8 2HB LYS 2 1HB LYS 2 -6.564 -14.744 -14.784 9 1HG LYS 2 2HG LYS 2 -5.432 -16.666 -14.477 10 2HG LYS 2 1HG LYS 2 -4.034 -15.804 -13.835 11 1HD LYS 2 2HD LYS 2 -4.883 -15.841 -11.624 12 2HD LYS 2 1HD LYS 2 -6.510 -16.249 -12.168 13 1HE LYS 2 2HE LYS 2 -5.625 -18.456 -12.988 14 2HE LYS 2 1HE LYS 2 -4.065 -18.050 -12.246 15 1HZ LYS 2 1HZ LYS 2 -5.221 -17.685 -10.140 16 2HZ LYS 2 2HZ LYS 2 -5.432 -19.279 -10.685 17 3HZ LYS 2 3HZ LYS 2 -6.689 -18.148 -10.852 18 H ALA 3 H ALA 3 -7.159 -12.904 -14.336 19 HA ALA 3 HA ALA 3 -7.035 -10.337 -15.704 20 1HB ALA 3 1HB ALA 3 -9.009 -11.761 -15.820 21 2HB ALA 3 2HB ALA 3 -9.443 -10.277 -14.972 22 3HB ALA 3 3HB ALA 3 -9.155 -11.760 -14.063 23 H CLG 4 H CLG 4 -5.178 -10.133 -13.727 24 HA CLG 4 HA CLG 4 -5.632 -9.403 -11.140 25 1HB CLG 4 1HB CLG 4 -3.472 -9.168 -12.157 26 2HB CLG 4 2HB CLG 4 -3.925 -7.555 -11.606 27 1HG CLG 4 1HG CLG 4 -5.011 -7.829 -14.201 28 2HG CLG 4 2HG CLG 4 -3.369 -8.468 -14.293 29 1HD CLG 4 1HD CLG 4 -2.411 -6.430 -13.805 30 2HD CLG 4 2HD CLG 4 -3.758 -5.922 -12.788 31 1HE CLG 4 1HE CLG 4 -4.038 -4.554 -14.689 32 2HE CLG 4 2HE CLG 4 -5.086 -5.930 -15.086 33 HNZ CLG 4 HNZ CLG 4 -2.952 -6.871 -16.234 34 1HI CLG 4 1HI CLG 4 -1.663 -6.445 -17.953 35 2HI CLG 4 2HI CLG 4 -2.333 -5.130 -18.920 36 HNJ CLG 4 HNJ CLG 4 0.091 -4.878 -17.187 37 1HL CLG 4 1HL CLG 4 1.136 -2.523 -17.635 38 2HL CLG 4 2HL CLG 4 1.878 -3.719 -18.696 39 H ILE 5 H ILE 5 -7.582 -8.464 -10.505 40 HA ILE 5 HA ILE 5 -9.012 -6.435 -11.918 41 HB ILE 5 HB ILE 5 -8.941 -6.982 -8.936 42 1HG1 ILE 5 2HG1 ILE 5 -11.032 -8.437 -10.057 43 2HG1 ILE 5 1HG1 ILE 5 -9.706 -8.681 -11.194 44 1HG2 ILE 5 1HG2 ILE 5 -11.461 -6.492 -9.328 45 2HG2 ILE 5 2HG2 ILE 5 -10.934 -5.781 -10.854 46 3HG2 ILE 5 3HG2 ILE 5 -10.345 -5.127 -9.326 47 1HD1 ILE 5 1HD1 ILE 5 -8.446 -8.933 -8.751 48 2HD1 ILE 5 2HD1 ILE 5 -8.995 -10.277 -9.752 49 3HD1 ILE 5 3HD1 ILE 5 -10.017 -9.674 -8.448 50 H ILE 6 H ILE 6 -9.437 -4.217 -10.717 51 HA ILE 6 HA ILE 6 -6.915 -3.069 -9.616 52 HB ILE 6 HB ILE 6 -6.787 -2.725 -12.007 53 1HG1 ILE 6 2HG1 ILE 6 -7.823 -0.059 -11.564 54 2HG1 ILE 6 1HG1 ILE 6 -6.956 -0.618 -10.133 55 1HG2 ILE 6 1HG2 ILE 6 -9.302 -3.122 -12.296 56 2HG2 ILE 6 2HG2 ILE 6 -8.585 -1.888 -13.331 57 3HG2 ILE 6 3HG2 ILE 6 -9.510 -1.414 -11.907 58 1HD1 ILE 6 1HD1 ILE 6 -5.269 -1.460 -12.099 59 2HD1 ILE 6 2HD1 ILE 6 -5.115 0.092 -11.277 60 3HD1 ILE 6 3HD1 ILE 6 -5.929 -0.002 -12.839 61 H ARG 7 H ARG 7 -7.738 -2.397 -7.643 62 HA ARG 7 HA ARG 7 -10.450 -1.475 -7.247 63 1HB ARG 7 2HB ARG 7 -8.134 -2.170 -5.747 64 2HB ARG 7 1HB ARG 7 -8.606 -0.548 -5.242 65 1HG ARG 7 2HG ARG 7 -9.853 -2.013 -3.843 66 2HG ARG 7 1HG ARG 7 -10.996 -1.470 -5.073 67 1HD ARG 7 2HD ARG 7 -10.191 -3.605 -6.384 68 2HD ARG 7 1HD ARG 7 -9.684 -4.160 -4.775 69 HE ARG 7 HE ARG 7 -12.103 -3.500 -4.083 70 1HH1 ARG 7 1HH2 ARG 7 -11.048 -5.341 -6.732 71 2HH1 ARG 7 2HH2 ARG 7 -12.635 -5.652 -7.351 72 1HH2 ARG 7 1HH1 ARG 7 -14.217 -3.560 -5.083 73 2HH2 ARG 7 2HH1 ARG 7 -14.430 -4.643 -6.417 74 H TYR 8 H TYR 8 -11.235 0.639 -7.204 75 HA TYR 8 HA TYR 8 -9.297 2.806 -7.957 76 1HB TYR 8 2HB TYR 8 -11.802 1.827 -9.078 77 2HB TYR 8 1HB TYR 8 -11.892 3.550 -8.717 78 HD1 TYR 8 HD1 TYR 8 -11.137 1.341 -11.251 79 HD2 TYR 8 HD2 TYR 8 -9.471 4.771 -9.274 80 HE1 TYR 8 HE1 TYR 8 -9.771 1.835 -13.260 81 HE2 TYR 8 HE2 TYR 8 -8.104 5.265 -11.284 82 HH TYR 8 HH TYR 8 -8.454 3.363 -14.256 83 H PHE 9 H PHE 9 -9.440 4.734 -6.779 84 HA PHE 9 HA PHE 9 -11.652 5.023 -4.796 85 1HB PHE 9 2HB PHE 9 -8.668 5.064 -4.238 86 2HB PHE 9 1HB PHE 9 -9.909 5.495 -3.061 87 HD1 PHE 9 HD1 PHE 9 -7.803 2.929 -3.928 88 HD2 PHE 9 HD2 PHE 9 -11.971 3.627 -3.161 89 HE1 PHE 9 HE1 PHE 9 -8.100 0.533 -3.359 90 HE2 PHE 9 HE2 PHE 9 -12.268 1.231 -2.592 91 HZ PHE 9 HZ PHE 9 -10.332 -0.316 -2.690 92 H TYR 10 H TYR 10 -12.473 6.936 -5.661 93 HA TYR 10 HA TYR 10 -11.035 9.006 -6.945 94 1HB TYR 10 2HB TYR 10 -13.470 8.753 -6.973 95 2HB TYR 10 1HB TYR 10 -13.545 9.064 -5.238 96 HD1 TYR 10 HD1 TYR 10 -13.085 10.549 -8.561 97 HD2 TYR 10 HD2 TYR 10 -13.080 11.310 -4.333 98 HE1 TYR 10 HE1 TYR 10 -13.185 12.988 -9.000 99 HE2 TYR 10 HE2 TYR 10 -13.182 13.749 -4.772 100 HH TYR 10 HH TYR 10 -12.372 15.170 -7.433 101 H ASN 11 H ASN 11 -9.878 10.771 -6.177 102 HA ASN 11 HA ASN 11 -9.937 11.423 -3.281 103 1HB ASN 11 2HB ASN 11 -8.183 9.575 -4.113 104 2HB ASN 11 1HB ASN 11 -7.262 11.013 -4.553 105 1HD2 ASN 11 1HD2 ASN 11 -5.819 11.495 -2.896 106 2HD2 ASN 11 2HD2 ASN 11 -6.171 11.402 -1.238 107 H ALA 12 H ALA 12 -10.733 13.505 -3.921 108 HA ALA 12 HA ALA 12 -9.700 15.143 -5.994 109 1HB ALA 12 1HB ALA 12 -11.811 15.416 -4.657 110 2HB ALA 12 2HB ALA 12 -10.879 16.906 -4.794 111 3HB ALA 12 3HB ALA 12 -10.828 15.971 -3.301 112 H LYS 13 H LYS 13 -9.259 17.105 -3.330 113 HA LYS 13 HA LYS 13 -7.323 18.154 -2.470 114 1HB LYS 13 2HB LYS 13 -7.425 15.641 -1.622 115 2HB LYS 13 1HB LYS 13 -5.999 15.464 -2.645 116 1HG LYS 13 2HG LYS 13 -5.782 17.886 -1.093 117 2HG LYS 13 1HG LYS 13 -6.102 16.519 -0.023 118 1HD LYS 13 2HD LYS 13 -4.081 15.560 -0.438 119 2HD LYS 13 1HD LYS 13 -4.132 15.972 -2.153 120 1HE LYS 13 2HE LYS 13 -2.460 17.437 -1.521 121 2HE LYS 13 1HE LYS 13 -3.846 18.458 -1.089 122 1HZ LYS 13 1HZ LYS 13 -2.478 16.527 0.710 123 2HZ LYS 13 2HZ LYS 13 -3.842 17.454 1.120 124 3HZ LYS 13 3HZ LYS 13 -2.358 18.216 0.799 125 H ASP 14 H ASP 14 -7.045 19.214 -4.630 126 HA ASP 14 HA ASP 14 -5.567 19.893 -6.354 127 1HB ASP 14 2HB ASP 14 -3.972 19.064 -4.423 128 2HB ASP 14 1HB ASP 14 -3.709 17.687 -5.493 129 H GLY 15 H GLY 15 -7.267 17.130 -6.186 130 1HA GLY 15 2HA GLY 15 -7.981 15.643 -7.864 131 2HA GLY 15 1HA GLY 15 -6.997 16.553 -9.012 132 H LEU 16 H LEU 16 -7.063 13.821 -6.845 133 HA LEU 16 HA LEU 16 -4.627 12.758 -8.168 134 1HB LEU 16 2HB LEU 16 -4.042 14.125 -6.095 135 2HB LEU 16 1HB LEU 16 -4.906 12.909 -5.154 136 HG LEU 16 HG LEU 16 -3.326 11.297 -6.651 137 1HD1 LEU 16 1HD1 LEU 16 -2.182 13.146 -7.765 138 2HD1 LEU 16 2HD1 LEU 16 -1.054 12.332 -6.680 139 3HD1 LEU 16 3HD1 LEU 16 -1.779 13.869 -6.208 140 1HD2 LEU 16 1HD2 LEU 16 -2.727 12.694 -4.030 141 2HD2 LEU 16 2HD2 LEU 16 -1.754 11.355 -4.642 142 3HD2 LEU 16 3HD2 LEU 16 -3.459 11.107 -4.262 143 2HN ABA 17 HN ABA 17 -7.113 11.758 -8.660 144 HA ABA 17 HA ABA 17 -8.394 9.931 -7.040 145 1HB ABA 17 1HB ABA 17 -7.657 8.973 -9.758 146 2HB ABA 17 2HB ABA 17 -8.397 10.571 -9.672 147 1HG ABA 17 1HG ABA 17 -9.869 8.334 -9.819 148 2HG ABA 17 2HG ABA 17 -10.410 9.744 -8.909 149 3HG ABA 17 3HG ABA 17 -9.655 8.390 -8.069 150 H GLN 18 H GLN 18 -7.329 8.584 -5.605 151 HA GLN 18 HA GLN 18 -4.763 7.356 -6.146 152 1HB GLN 18 2HB GLN 18 -6.840 7.443 -4.044 153 2HB GLN 18 1HB GLN 18 -5.897 5.951 -4.080 154 1HG GLN 18 2HG GLN 18 -3.814 7.218 -3.950 155 2HG GLN 18 1HG GLN 18 -4.705 8.739 -4.028 156 1HE2 GLN 18 1HE2 GLN 18 -3.450 6.391 -1.874 157 2HE2 GLN 18 2HE2 GLN 18 -4.257 6.907 -0.473 158 H THR 19 H THR 19 -4.332 5.252 -6.865 159 HA THR 19 HA THR 19 -6.695 3.544 -7.572 160 HB THR 19 HB THR 19 -4.220 4.230 -9.189 161 HG1 THR 19 HG1 THR 19 -6.988 4.610 -9.674 162 1HG2 THR 19 1HG2 THR 19 -4.870 1.831 -9.396 163 2HG2 THR 19 2HG2 THR 19 -5.097 2.730 -10.898 164 3HG2 THR 19 3HG2 THR 19 -6.486 2.343 -9.883 165 H PHE 20 H PHE 20 -6.498 1.599 -6.542 166 HA PHE 20 HA PHE 20 -3.737 0.596 -5.923 167 1HB PHE 20 2HB PHE 20 -4.881 1.161 -3.904 168 2HB PHE 20 1HB PHE 20 -6.390 0.447 -4.475 169 HD1 PHE 20 HD1 PHE 20 -6.940 -1.704 -3.768 170 HD2 PHE 20 HD2 PHE 20 -2.815 -0.511 -3.843 171 HE1 PHE 20 HE1 PHE 20 -6.293 -3.879 -2.766 172 HE2 PHE 20 HE2 PHE 20 -2.167 -2.685 -2.841 173 HZ PHE 20 HZ PHE 20 -3.906 -4.369 -2.303 174 H VAL 21 H VAL 21 -3.239 -1.432 -6.710 175 HA VAL 21 HA VAL 21 -5.482 -3.076 -7.840 176 HB VAL 21 HB VAL 21 -2.662 -2.785 -8.916 177 1HG1 VAL 21 1HG1 VAL 21 -5.062 -3.643 -10.494 178 2HG1 VAL 21 2HG1 VAL 21 -4.307 -4.805 -9.403 179 3HG1 VAL 21 3HG1 VAL 21 -3.368 -4.082 -10.709 180 1HG2 VAL 21 1HG2 VAL 21 -5.222 -1.412 -9.802 181 2HG2 VAL 21 2HG2 VAL 21 -3.668 -1.312 -10.631 182 3HG2 VAL 21 3HG2 VAL 21 -3.853 -0.623 -9.018 183 H TYR 22 H TYR 22 -5.297 -5.325 -7.489 184 HA TYR 22 HA TYR 22 -2.889 -6.288 -6.002 185 1HB TYR 22 2HB TYR 22 -4.423 -7.385 -4.398 186 2HB TYR 22 1HB TYR 22 -4.673 -5.639 -4.415 187 HD1 TYR 22 HD1 TYR 22 -6.545 -4.694 -5.878 188 HD2 TYR 22 HD2 TYR 22 -6.189 -8.866 -4.926 189 HE1 TYR 22 HE1 TYR 22 -8.923 -5.037 -6.494 190 HE2 TYR 22 HE2 TYR 22 -8.567 -9.211 -5.541 191 HH TYR 22 HH TYR 22 -10.321 -7.131 -7.331 192 H GLY 23 H GLY 23 -2.134 -8.080 -7.066 193 1HA GLY 23 2HA GLY 23 -3.508 -9.357 -9.205 194 2HA GLY 23 1HA GLY 23 -2.119 -10.040 -8.359 195 H GLY 24 H GLY 24 -3.424 -12.090 -8.752 196 1HA GLY 24 2HA GLY 24 -5.297 -12.491 -6.456 197 2HA GLY 24 1HA GLY 24 -5.662 -13.157 -8.048 198 H CYS 25 H CYS 25 -2.847 -13.102 -5.830 199 HA CYS 25 HA CYS 25 -2.762 -16.064 -5.909 200 1HB CYS 25 2HB CYS 25 -0.668 -14.184 -7.028 201 2HB CYS 25 1HB CYS 25 -0.301 -15.857 -6.607 202 1HN NH2 26 1H CYS 25 0.145 -14.288 -5.132 203 2HN NH2 26 2H CYS 25 0.008 -14.387 -3.442 204 1HA MPT 1 1HA MPT 1 8.055 -13.870 -10.571 205 2HA MPT 1 2HA MPT 1 8.983 -13.126 -9.260 206 1HB MPT 1 1HB MPT 1 7.567 -15.204 -8.698 207 2HB MPT 1 2HB MPT 1 6.153 -14.177 -8.932 208 H LYS 2 H LYS 2 8.043 -11.209 -8.235 209 HA LYS 2 HA LYS 2 6.798 -9.192 -8.230 210 1HB LYS 2 2HB LYS 2 8.433 -9.594 -10.523 211 2HB LYS 2 1HB LYS 2 6.972 -8.769 -11.070 212 1HG LYS 2 2HG LYS 2 7.852 -6.850 -10.280 213 2HG LYS 2 1HG LYS 2 7.667 -7.509 -8.655 214 1HD LYS 2 2HD LYS 2 10.046 -8.350 -10.265 215 2HD LYS 2 1HD LYS 2 10.049 -6.743 -9.537 216 1HE LYS 2 2HE LYS 2 9.104 -8.431 -7.501 217 2HE LYS 2 1HE LYS 2 10.447 -9.317 -8.248 218 1HZ LYS 2 1HZ LYS 2 11.613 -7.921 -6.889 219 2HZ LYS 2 2HZ LYS 2 10.449 -6.686 -6.955 220 3HZ LYS 2 3HZ LYS 2 11.506 -6.932 -8.263 221 H ALA 3 H ALA 3 5.206 -11.624 -8.636 222 HA ALA 3 HA ALA 3 3.000 -10.575 -10.376 223 1HB ALA 3 1HB ALA 3 4.014 -13.286 -9.570 224 2HB ALA 3 2HB ALA 3 3.579 -12.696 -11.174 225 3HB ALA 3 3HB ALA 3 2.316 -13.113 -10.016 226 H ARG 4 H ARG 4 2.897 -9.219 -8.135 227 HA ARG 4 HA ARG 4 0.927 -10.647 -6.378 228 1HB ARG 4 2HB ARG 4 2.971 -8.619 -5.477 229 2HB ARG 4 1HB ARG 4 2.051 -9.748 -4.484 230 1HG ARG 4 2HG ARG 4 3.888 -11.073 -4.610 231 2HG ARG 4 1HG ARG 4 3.341 -11.434 -6.247 232 1HD ARG 4 2HD ARG 4 4.818 -9.855 -7.218 233 2HD ARG 4 1HD ARG 4 5.078 -9.024 -5.672 234 HE ARG 4 HE ARG 4 5.884 -11.877 -5.855 235 1HH1 ARG 4 1HH1 ARG 4 6.821 -8.597 -6.203 236 2HH1 ARG 4 2HH1 ARG 4 8.395 -8.825 -5.517 237 1HH2 ARG 4 1HH2 ARG 4 7.862 -12.161 -4.736 238 2HH2 ARG 4 2HH2 ARG 4 8.984 -10.843 -4.687 239 H ILE 5 H ILE 5 1.065 -7.941 -4.842 240 HA ILE 5 HA ILE 5 -1.112 -6.664 -6.381 241 HB ILE 5 HB ILE 5 0.124 -6.155 -3.655 242 1HG1 ILE 5 2HG1 ILE 5 -2.530 -7.441 -4.350 243 2HG1 ILE 5 1HG1 ILE 5 -1.060 -8.372 -4.061 244 1HG2 ILE 5 1HG2 ILE 5 -1.199 -4.276 -4.965 245 2HG2 ILE 5 2HG2 ILE 5 -1.523 -4.563 -3.256 246 3HG2 ILE 5 3HG2 ILE 5 -2.605 -5.225 -4.481 247 1HD1 ILE 5 1HD1 ILE 5 -2.757 -6.872 -2.139 248 2HD1 ILE 5 2HD1 ILE 5 -1.015 -6.778 -1.878 249 3HD1 ILE 5 3HD1 ILE 5 -1.820 -8.347 -1.901 250 H ILE 6 H ILE 6 -1.010 -4.457 -7.067 251 HA ILE 6 HA ILE 6 1.714 -3.205 -7.011 252 HB ILE 6 HB ILE 6 -0.253 -3.406 -9.316 253 1HG1 ILE 6 2HG1 ILE 6 2.485 -4.663 -8.936 254 2HG1 ILE 6 1HG1 ILE 6 0.954 -5.522 -8.754 255 1HG2 ILE 6 1HG2 ILE 6 2.516 -2.179 -9.127 256 2HG2 ILE 6 2HG2 ILE 6 1.003 -1.306 -9.374 257 3HG2 ILE 6 3HG2 ILE 6 1.609 -2.393 -10.624 258 1HD1 ILE 6 1HD1 ILE 6 2.003 -4.200 -11.272 259 2HD1 ILE 6 2HD1 ILE 6 0.383 -4.878 -11.113 260 3HD1 ILE 6 3HD1 ILE 6 1.793 -5.930 -10.995 261 H ARG 7 H ARG 7 1.525 -1.266 -5.970 262 HA ARG 7 HA ARG 7 -1.032 0.043 -5.532 263 1HB ARG 7 2HB ARG 7 1.880 0.623 -5.009 264 2HB ARG 7 1HB ARG 7 0.650 1.837 -4.658 265 1HG ARG 7 2HG ARG 7 -0.330 -0.605 -3.619 266 2HG ARG 7 1HG ARG 7 1.361 -0.500 -3.127 267 1HD ARG 7 2HD ARG 7 -0.291 1.978 -2.856 268 2HD ARG 7 1HD ARG 7 -0.562 0.673 -1.683 269 HE ARG 7 HE ARG 7 2.066 0.721 -1.525 270 1HH1 ARG 7 1HH1 ARG 7 -0.225 3.097 -0.921 271 2HH1 ARG 7 2HH1 ARG 7 0.910 4.388 -0.712 272 1HH2 ARG 7 1HH2 ARG 7 3.636 2.514 -1.755 273 2HH2 ARG 7 2HH2 ARG 7 3.096 4.058 -1.184 274 H TYR 8 H TYR 8 -1.620 2.165 -6.353 275 HA TYR 8 HA TYR 8 -0.086 3.204 -8.679 276 1HB TYR 8 2HB TYR 8 -2.622 1.699 -8.719 277 2HB TYR 8 1HB TYR 8 -2.670 3.209 -9.629 278 HD1 TYR 8 HD1 TYR 8 -1.251 3.555 -11.581 279 HD2 TYR 8 HD2 TYR 8 -1.075 -0.103 -9.335 280 HE1 TYR 8 HE1 TYR 8 0.028 2.488 -13.419 281 HE2 TYR 8 HE2 TYR 8 0.204 -1.169 -11.173 282 HH TYR 8 HH TYR 8 0.302 -0.547 -13.945 283 H PHE 9 H PHE 9 -0.801 5.397 -9.266 284 HA PHE 9 HA PHE 9 -2.698 6.710 -7.382 285 1HB PHE 9 2HB PHE 9 0.260 7.039 -7.577 286 2HB PHE 9 1HB PHE 9 -0.689 8.506 -7.338 287 HD1 PHE 9 HD1 PHE 9 -0.163 5.061 -5.988 288 HD2 PHE 9 HD2 PHE 9 -1.550 9.052 -5.210 289 HE1 PHE 9 HE1 PHE 9 -0.426 4.502 -3.588 290 HE2 PHE 9 HE2 PHE 9 -1.813 8.492 -2.809 291 HZ PHE 9 HZ PHE 9 -1.252 6.216 -1.997 292 H TYR 10 H TYR 10 -3.905 6.776 -9.500 293 HA TYR 10 HA TYR 10 -3.077 7.991 -11.881 294 1HB TYR 10 2HB TYR 10 -5.254 6.877 -11.412 295 2HB TYR 10 1HB TYR 10 -5.738 8.272 -10.448 296 HD1 TYR 10 HD1 TYR 10 -6.625 10.219 -11.471 297 HD2 TYR 10 HD2 TYR 10 -4.687 7.230 -13.872 298 HE1 TYR 10 HE1 TYR 10 -7.388 11.377 -13.527 299 HE2 TYR 10 HE2 TYR 10 -5.450 8.388 -15.929 300 HH TYR 10 HH TYR 10 -7.822 10.813 -15.898 301 H ASN 11 H ASN 11 -1.892 9.893 -11.888 302 HA ASN 11 HA ASN 11 -2.714 12.129 -10.106 303 1HB ASN 11 2HB ASN 11 -0.302 11.071 -10.777 304 2HB ASN 11 1HB ASN 11 -0.420 12.355 -11.981 305 1HD2 ASN 11 1HD2 ASN 11 0.086 11.690 -8.591 306 2HD2 ASN 11 2HD2 ASN 11 0.253 13.305 -8.094 307 H ALA 12 H ALA 12 -1.796 14.253 -11.734 308 HA ALA 12 HA ALA 12 -4.062 14.483 -13.620 309 1HB ALA 12 1HB ALA 12 -3.218 16.188 -11.855 310 2HB ALA 12 2HB ALA 12 -3.622 16.805 -13.456 311 3HB ALA 12 3HB ALA 12 -1.936 16.538 -13.015 312 H LYS 13 H LYS 13 -3.025 16.193 -15.531 313 HA LYS 13 HA LYS 13 -1.852 14.470 -17.450 314 1HB LYS 13 2HB LYS 13 -2.658 17.218 -17.141 315 2HB LYS 13 1HB LYS 13 -1.113 17.161 -17.991 316 1HG LYS 13 2HG LYS 13 -2.434 15.134 -19.235 317 2HG LYS 13 1HG LYS 13 -3.779 16.212 -18.859 318 1HD LYS 13 2HD LYS 13 -2.803 16.745 -21.067 319 2HD LYS 13 1HD LYS 13 -2.590 18.083 -19.938 320 1HE LYS 13 2HE LYS 13 -0.359 16.253 -19.706 321 2HE LYS 13 1HE LYS 13 -0.555 16.773 -21.392 322 1HZ LYS 13 1HZ LYS 13 -1.001 19.065 -20.283 323 2HZ LYS 13 2HZ LYS 13 0.598 18.541 -20.515 324 3HZ LYS 13 3HZ LYS 13 -0.129 18.410 -18.985 325 H ASP 14 H ASP 14 0.297 14.034 -17.996 326 HA ASP 14 HA ASP 14 2.656 14.005 -17.792 327 1HB ASP 14 2HB ASP 14 1.807 16.633 -17.610 328 2HB ASP 14 1HB ASP 14 2.772 16.438 -16.146 329 H GLY 15 H GLY 15 0.533 13.480 -15.409 330 1HA GLY 15 2HA GLY 15 2.617 13.196 -13.284 331 2HA GLY 15 1HA GLY 15 0.890 13.360 -12.959 332 H CLH 16 H CLH 16 3.074 11.236 -14.828 333 HA CLH 16 HA CLH 16 1.587 8.988 -15.268 334 1HB CLH 16 1HB CLH 16 3.998 8.063 -14.110 335 2HB CLH 16 2HB CLH 16 4.352 9.660 -14.772 336 1HG CLH 16 1HG CLH 16 4.722 8.156 -16.577 337 2HG CLH 16 2HG CLH 16 3.134 8.857 -16.894 338 1HD CLH 16 1HD CLH 16 2.670 6.595 -17.176 339 2HD CLH 16 2HD CLH 16 2.300 6.789 -15.462 340 1HE CLH 16 1HE CLH 16 3.843 5.180 -15.030 341 2HE CLH 16 2HE CLH 16 5.093 6.290 -15.625 342 HNZ CLH 16 HNZ CLH 16 4.428 5.391 -17.956 343 1HI CLH 16 1HI CLH 16 4.319 3.526 -19.136 344 2HI CLH 16 2HI CLH 16 5.398 2.396 -18.318 345 HNJ CLH 16 HNJ CLH 16 2.530 1.924 -17.869 346 HL CLH 16 HL CLH 16 1.606 0.223 -18.509 347 2HN ABA 17 HN ABA 17 0.313 7.695 -14.017 348 HA ABA 17 HA ABA 17 -0.250 7.983 -11.310 349 1HB ABA 17 1HB ABA 17 -1.208 5.756 -11.503 350 2HB ABA 17 2HB ABA 17 -0.143 5.375 -12.856 351 1HG ABA 17 1HG ABA 17 -2.715 6.491 -13.007 352 2HG ABA 17 2HG ABA 17 -1.548 6.360 -14.322 353 3HG ABA 17 3HG ABA 17 -1.618 7.829 -13.348 354 H GLN 18 H GLN 18 1.231 7.972 -9.653 355 HA GLN 18 HA GLN 18 3.773 6.635 -9.727 356 1HB GLN 18 2HB GLN 18 2.008 7.873 -7.613 357 2HB GLN 18 1HB GLN 18 3.545 7.124 -7.180 358 1HG GLN 18 2HG GLN 18 4.797 8.726 -8.278 359 2HG GLN 18 1HG GLN 18 3.528 9.060 -9.456 360 1HE2 GLN 18 1HE2 GLN 18 1.485 10.153 -8.448 361 2HE2 GLN 18 2HE2 GLN 18 1.762 11.309 -7.237 362 H THR 19 H THR 19 3.877 4.406 -9.841 363 HA THR 19 HA THR 19 1.907 2.807 -8.265 364 HB THR 19 HB THR 19 2.051 2.380 -10.671 365 HG1 THR 19 HG1 THR 19 1.761 0.574 -9.335 366 1HG2 THR 19 1HG2 THR 19 4.270 1.422 -11.524 367 2HG2 THR 19 2HG2 THR 19 4.994 2.087 -10.059 368 3HG2 THR 19 3HG2 THR 19 4.226 3.161 -11.229 369 H PHE 20 H PHE 20 2.679 1.140 -6.853 370 HA PHE 20 HA PHE 20 5.620 1.168 -6.274 371 1HB PHE 20 2HB PHE 20 3.469 1.074 -4.151 372 2HB PHE 20 1HB PHE 20 5.175 1.469 -3.956 373 HD1 PHE 20 HD1 PHE 20 5.763 3.400 -6.000 374 HD2 PHE 20 HD2 PHE 20 2.182 2.962 -3.670 375 HE1 PHE 20 HE1 PHE 20 5.247 5.801 -6.343 376 HE2 PHE 20 HE2 PHE 20 1.665 5.363 -4.012 377 HZ PHE 20 HZ PHE 20 3.198 6.783 -5.348 378 H VAL 21 H VAL 21 5.503 -0.667 -4.144 379 HA VAL 21 HA VAL 21 4.303 -3.100 -5.429 380 HB VAL 21 HB VAL 21 6.377 -4.264 -4.658 381 1HG1 VAL 21 1HG1 VAL 21 6.982 -1.801 -6.320 382 2HG1 VAL 21 2HG1 VAL 21 6.165 -3.233 -6.947 383 3HG1 VAL 21 3HG1 VAL 21 7.827 -3.349 -6.369 384 1HG2 VAL 21 1HG2 VAL 21 8.203 -3.033 -3.720 385 2HG2 VAL 21 2HG2 VAL 21 6.777 -2.544 -2.806 386 3HG2 VAL 21 3HG2 VAL 21 7.425 -1.487 -4.060 387 H TYR 22 H TYR 22 3.801 -4.833 -3.880 388 HA TYR 22 HA TYR 22 4.038 -4.547 -1.032 389 1HB TYR 22 2HB TYR 22 2.541 -2.625 -1.538 390 2HB TYR 22 1HB TYR 22 1.388 -3.737 -2.276 391 HD1 TYR 22 HD1 TYR 22 -0.299 -4.668 -0.956 392 HD2 TYR 22 HD2 TYR 22 3.286 -3.227 0.919 393 HE1 TYR 22 HE1 TYR 22 -1.277 -5.136 1.275 394 HE2 TYR 22 HE2 TYR 22 2.309 -3.695 3.149 395 HH TYR 22 HH TYR 22 -0.594 -3.935 3.869 396 H GLY 23 H GLY 23 4.433 -6.725 -2.665 397 1HA GLY 23 2HA GLY 23 2.000 -8.426 -2.293 398 2HA GLY 23 1HA GLY 23 3.265 -8.737 -3.477 399 H GLY 24 H GLY 24 3.953 -10.738 -2.784 400 1HA GLY 24 2HA GLY 24 5.726 -10.830 -0.503 401 2HA GLY 24 1HA GLY 24 4.227 -11.706 -0.181 402 H CYS 25 H CYS 25 3.661 -12.848 -2.614 403 HA CYS 25 HA CYS 25 4.220 -14.707 -3.957 404 1HB CYS 25 2HB CYS 25 6.159 -12.738 -4.214 405 2HB CYS 25 1HB CYS 25 7.106 -14.185 -3.873 406 1HN NH2 26 1H CYS 25 7.267 -14.545 -2.048 407 2HN NH2 26 2H CYS 25 7.056 -16.045 -1.282 Start of MODEL 4 1 1HA MPT 1 1HA MPT 1 -2.162 -16.146 -8.050 2 2HA MPT 1 2HA MPT 1 -3.360 -17.368 -8.502 3 1HB MPT 1 1HB MPT 1 -1.113 -17.341 -10.344 4 2HB MPT 1 2HB MPT 1 -1.699 -18.665 -9.338 5 H LYS 2 H LYS 2 -4.923 -16.380 -9.683 6 HA LYS 2 HA LYS 2 -4.070 -14.427 -11.797 7 1HB LYS 2 2HB LYS 2 -6.276 -16.514 -11.833 8 2HB LYS 2 1HB LYS 2 -5.880 -15.419 -13.159 9 1HG LYS 2 2HG LYS 2 -3.842 -17.305 -11.961 10 2HG LYS 2 1HG LYS 2 -4.880 -17.769 -13.310 11 1HD LYS 2 2HD LYS 2 -4.047 -15.573 -14.422 12 2HD LYS 2 1HD LYS 2 -2.755 -15.636 -13.223 13 1HE LYS 2 2HE LYS 2 -3.401 -18.047 -14.930 14 2HE LYS 2 1HE LYS 2 -2.286 -16.785 -15.493 15 1HZ LYS 2 1HZ LYS 2 -2.071 -18.494 -13.090 16 2HZ LYS 2 2HZ LYS 2 -1.246 -17.011 -13.188 17 3HZ LYS 2 3HZ LYS 2 -0.923 -18.243 -14.313 18 H ALA 3 H ALA 3 -4.762 -13.476 -9.263 19 HA ALA 3 HA ALA 3 -7.617 -12.617 -9.502 20 1HB ALA 3 1HB ALA 3 -7.532 -13.181 -7.311 21 2HB ALA 3 2HB ALA 3 -6.504 -11.769 -7.065 22 3HB ALA 3 3HB ALA 3 -5.778 -13.347 -7.371 23 H CLG 4 H CLG 4 -6.151 -11.294 -11.346 24 HA CLG 4 HA CLG 4 -4.973 -8.839 -10.215 25 1HB CLG 4 1HB CLG 4 -5.560 -9.712 -13.064 26 2HB CLG 4 2HB CLG 4 -4.060 -10.040 -12.194 27 1HG CLG 4 1HG CLG 4 -5.181 -7.308 -12.891 28 2HG CLG 4 2HG CLG 4 -3.761 -8.071 -13.609 29 1HD CLG 4 1HD CLG 4 -3.256 -8.194 -10.877 30 2HD CLG 4 2HD CLG 4 -4.016 -6.615 -11.083 31 1HE CLG 4 1HE CLG 4 -1.638 -7.646 -12.680 32 2HE CLG 4 2HE CLG 4 -1.571 -6.429 -11.391 33 HNZ CLG 4 HNZ CLG 4 -3.558 -5.668 -13.314 34 1HI CLG 4 1HI CLG 4 -2.959 -4.492 -15.400 35 2HI CLG 4 2HI CLG 4 -2.641 -3.225 -14.214 36 HNJ CLG 4 HNJ CLG 4 -0.378 -4.189 -15.884 37 1HL CLG 4 1HL CLG 4 1.118 -2.073 -16.236 38 2HL CLG 4 2HL CLG 4 0.188 -2.398 -17.697 39 H ILE 5 H ILE 5 -6.730 -7.699 -9.256 40 HA ILE 5 HA ILE 5 -8.954 -6.921 -11.114 41 HB ILE 5 HB ILE 5 -8.796 -7.069 -8.084 42 1HG1 ILE 5 2HG1 ILE 5 -10.568 -8.736 -9.857 43 2HG1 ILE 5 1HG1 ILE 5 -8.889 -9.213 -9.598 44 1HG2 ILE 5 1HG2 ILE 5 -10.494 -5.563 -8.243 45 2HG2 ILE 5 2HG2 ILE 5 -11.450 -6.952 -8.762 46 3HG2 ILE 5 3HG2 ILE 5 -10.735 -5.875 -9.962 47 1HD1 ILE 5 1HD1 ILE 5 -10.560 -10.223 -7.970 48 2HD1 ILE 5 2HD1 ILE 5 -10.789 -8.597 -7.325 49 3HD1 ILE 5 3HD1 ILE 5 -9.207 -9.371 -7.226 50 H ILE 6 H ILE 6 -8.303 -4.947 -11.964 51 HA ILE 6 HA ILE 6 -6.744 -3.009 -10.446 52 HB ILE 6 HB ILE 6 -8.319 -2.784 -13.032 53 1HG1 ILE 6 2HG1 ILE 6 -5.367 -3.118 -13.012 54 2HG1 ILE 6 1HG1 ILE 6 -6.307 -4.542 -12.564 55 1HG2 ILE 6 1HG2 ILE 6 -5.895 -1.196 -12.169 56 2HG2 ILE 6 2HG2 ILE 6 -7.539 -0.647 -11.846 57 3HG2 ILE 6 3HG2 ILE 6 -6.993 -0.863 -13.509 58 1HD1 ILE 6 1HD1 ILE 6 -5.789 -4.229 -15.068 59 2HD1 ILE 6 2HD1 ILE 6 -6.970 -2.920 -15.023 60 3HD1 ILE 6 3HD1 ILE 6 -7.464 -4.567 -14.634 61 H ARG 7 H ARG 7 -7.892 -2.253 -8.634 62 HA ARG 7 HA ARG 7 -10.575 -1.017 -9.170 63 1HB ARG 7 2HB ARG 7 -9.999 -3.056 -7.499 64 2HB ARG 7 1HB ARG 7 -9.666 -1.704 -6.415 65 1HG ARG 7 2HG ARG 7 -11.995 -0.839 -7.425 66 2HG ARG 7 1HG ARG 7 -12.249 -2.573 -7.624 67 1HD ARG 7 2HD ARG 7 -11.130 -1.762 -4.996 68 2HD ARG 7 1HD ARG 7 -12.805 -1.264 -5.306 69 HE ARG 7 HE ARG 7 -11.822 -4.071 -5.288 70 1HH1 ARG 7 1HH1 ARG 7 -13.885 -3.696 -7.410 71 2HH1 ARG 7 2HH1 ARG 7 -15.359 -3.997 -6.552 72 1HH2 ARG 7 1HH2 ARG 7 -13.920 -3.625 -3.420 73 2HH2 ARG 7 2HH2 ARG 7 -15.379 -3.957 -4.292 74 H TYR 8 H TYR 8 -10.728 1.172 -8.781 75 HA TYR 8 HA TYR 8 -8.692 2.481 -7.039 76 1HB TYR 8 2HB TYR 8 -8.298 4.145 -8.845 77 2HB TYR 8 1HB TYR 8 -7.854 2.515 -9.355 78 HD1 TYR 8 HD1 TYR 8 -9.555 1.151 -10.689 79 HD2 TYR 8 HD2 TYR 8 -9.947 5.375 -10.016 80 HE1 TYR 8 HE1 TYR 8 -11.153 1.303 -12.580 81 HE2 TYR 8 HE2 TYR 8 -11.545 5.527 -11.906 82 HH TYR 8 HH TYR 8 -11.859 3.814 -14.189 83 H PHE 9 H PHE 9 -9.388 5.064 -7.253 84 HA PHE 9 HA PHE 9 -12.351 5.306 -7.182 85 1HB PHE 9 2HB PHE 9 -10.551 6.081 -4.866 86 2HB PHE 9 1HB PHE 9 -12.315 6.102 -4.894 87 HD1 PHE 9 HD1 PHE 9 -9.428 4.178 -4.087 88 HD2 PHE 9 HD2 PHE 9 -13.495 3.828 -5.426 89 HE1 PHE 9 HE1 PHE 9 -9.470 1.813 -3.343 90 HE2 PHE 9 HE2 PHE 9 -13.536 1.463 -4.683 91 HZ PHE 9 HZ PHE 9 -11.524 0.455 -3.640 92 H TYR 10 H TYR 10 -12.494 7.850 -6.073 93 HA TYR 10 HA TYR 10 -10.590 9.543 -7.631 94 1HB TYR 10 2HB TYR 10 -12.757 8.893 -8.873 95 2HB TYR 10 1HB TYR 10 -13.590 9.925 -7.709 96 HD1 TYR 10 HD1 TYR 10 -14.219 11.862 -8.884 97 HD2 TYR 10 HD2 TYR 10 -10.235 10.319 -9.320 98 HE1 TYR 10 HE1 TYR 10 -13.588 13.866 -10.203 99 HE2 TYR 10 HE2 TYR 10 -9.603 12.321 -10.640 100 HH TYR 10 HH TYR 10 -10.990 15.042 -10.626 101 H ASN 11 H ASN 11 -9.744 10.780 -5.980 102 HA ASN 11 HA ASN 11 -11.537 11.707 -3.788 103 1HB ASN 11 2HB ASN 11 -9.134 10.570 -3.685 104 2HB ASN 11 1HB ASN 11 -8.590 12.229 -3.937 105 1HD2 ASN 11 1HD2 ASN 11 -8.011 13.018 -1.899 106 2HD2 ASN 11 2HD2 ASN 11 -8.960 12.870 -0.499 107 H ALA 12 H ALA 12 -12.607 13.297 -5.278 108 HA ALA 12 HA ALA 12 -11.198 15.394 -6.618 109 1HB ALA 12 1HB ALA 12 -13.370 16.299 -6.895 110 2HB ALA 12 2HB ALA 12 -13.931 15.638 -5.359 111 3HB ALA 12 3HB ALA 12 -13.657 14.567 -6.731 112 H LYS 13 H LYS 13 -12.125 14.957 -3.259 113 HA LYS 13 HA LYS 13 -12.109 17.563 -2.238 114 1HB LYS 13 2HB LYS 13 -11.654 14.833 -1.332 115 2HB LYS 13 1HB LYS 13 -10.651 15.972 -0.433 116 1HG LYS 13 2HG LYS 13 -13.306 17.059 -0.779 117 2HG LYS 13 1HG LYS 13 -13.400 15.456 -0.049 118 1HD LYS 13 2HD LYS 13 -12.948 16.527 1.899 119 2HD LYS 13 1HD LYS 13 -11.287 16.579 1.310 120 1HE LYS 13 2HE LYS 13 -12.207 18.760 0.043 121 2HE LYS 13 1HE LYS 13 -13.316 18.766 1.429 122 1HZ LYS 13 1HZ LYS 13 -10.353 18.556 1.566 123 2HZ LYS 13 2HZ LYS 13 -11.404 18.488 2.900 124 3HZ LYS 13 3HZ LYS 13 -11.271 19.917 1.991 125 H ASP 14 H ASP 14 -9.224 15.573 -1.713 126 HA ASP 14 HA ASP 14 -7.471 17.889 -1.821 127 1HB ASP 14 2HB ASP 14 -7.449 15.140 -1.000 128 2HB ASP 14 1HB ASP 14 -6.069 15.408 -2.066 129 H GLY 15 H GLY 15 -8.989 16.117 -4.228 130 1HA GLY 15 2HA GLY 15 -8.651 15.997 -6.547 131 2HA GLY 15 1HA GLY 15 -7.507 17.326 -6.354 132 H LEU 16 H LEU 16 -7.580 13.891 -5.330 133 HA LEU 16 HA LEU 16 -5.053 13.434 -6.829 134 1HB LEU 16 2HB LEU 16 -4.398 14.264 -4.616 135 2HB LEU 16 1HB LEU 16 -5.436 13.067 -3.839 136 HG LEU 16 HG LEU 16 -3.991 11.394 -5.341 137 1HD1 LEU 16 1HD1 LEU 16 -2.076 13.674 -4.762 138 2HD1 LEU 16 2HD1 LEU 16 -2.713 13.290 -6.361 139 3HD1 LEU 16 3HD1 LEU 16 -1.678 12.134 -5.523 140 1HD2 LEU 16 1HD2 LEU 16 -4.025 11.022 -3.024 141 2HD2 LEU 16 2HD2 LEU 16 -3.404 12.631 -2.659 142 3HD2 LEU 16 3HD2 LEU 16 -2.327 11.397 -3.316 143 2HN ABA 17 HN ABA 17 -6.654 12.067 -8.044 144 HA ABA 17 HA ABA 17 -8.216 9.978 -7.037 145 1HB ABA 17 1HB ABA 17 -6.452 9.979 -9.508 146 2HB ABA 17 2HB ABA 17 -8.032 10.757 -9.399 147 1HG ABA 17 1HG ABA 17 -7.816 7.869 -8.636 148 2HG ABA 17 2HG ABA 17 -7.786 8.285 -10.350 149 3HG ABA 17 3HG ABA 17 -9.171 8.739 -9.357 150 H GLN 18 H GLN 18 -7.766 7.693 -6.725 151 HA GLN 18 HA GLN 18 -4.878 7.017 -6.291 152 1HB GLN 18 2HB GLN 18 -7.060 7.319 -4.402 153 2HB GLN 18 1HB GLN 18 -6.422 5.675 -4.353 154 1HG GLN 18 2HG GLN 18 -4.111 6.649 -4.172 155 2HG GLN 18 1HG GLN 18 -4.849 8.244 -4.026 156 1HE2 GLN 18 1HE2 GLN 18 -3.909 5.458 -2.251 157 2HE2 GLN 18 2HE2 GLN 18 -4.681 5.848 -0.791 158 H THR 19 H THR 19 -4.338 4.932 -6.954 159 HA THR 19 HA THR 19 -6.588 3.202 -7.934 160 HB THR 19 HB THR 19 -3.806 3.722 -9.025 161 HG1 THR 19 HG1 THR 19 -4.835 5.053 -10.254 162 1HG2 THR 19 1HG2 THR 19 -4.786 1.297 -9.140 163 2HG2 THR 19 2HG2 THR 19 -4.115 2.023 -10.601 164 3HG2 THR 19 3HG2 THR 19 -5.862 1.983 -10.359 165 H PHE 20 H PHE 20 -6.666 1.837 -6.085 166 HA PHE 20 HA PHE 20 -4.129 0.517 -5.233 167 1HB PHE 20 2HB PHE 20 -5.404 1.470 -3.449 168 2HB PHE 20 1HB PHE 20 -6.913 0.815 -4.084 169 HD1 PHE 20 HD1 PHE 20 -7.671 -1.331 -3.443 170 HD2 PHE 20 HD2 PHE 20 -3.610 -0.175 -2.651 171 HE1 PHE 20 HE1 PHE 20 -7.349 -3.386 -2.093 172 HE2 PHE 20 HE2 PHE 20 -3.288 -2.231 -1.301 173 HZ PHE 20 HZ PHE 20 -5.158 -3.835 -1.022 174 H VAL 21 H VAL 21 -3.710 -1.432 -6.193 175 HA VAL 21 HA VAL 21 -6.027 -3.079 -7.145 176 HB VAL 21 HB VAL 21 -3.106 -3.105 -7.968 177 1HG1 VAL 21 1HG1 VAL 21 -4.402 -4.152 -10.052 178 2HG1 VAL 21 2HG1 VAL 21 -5.566 -4.588 -8.799 179 3HG1 VAL 21 3HG1 VAL 21 -3.899 -5.154 -8.689 180 1HG2 VAL 21 1HG2 VAL 21 -5.051 -2.124 -9.914 181 2HG2 VAL 21 2HG2 VAL 21 -3.531 -1.399 -9.393 182 3HG2 VAL 21 3HG2 VAL 21 -5.004 -1.121 -8.464 183 H TYR 22 H TYR 22 -5.547 -5.504 -7.045 184 HA TYR 22 HA TYR 22 -3.785 -6.241 -4.746 185 1HB TYR 22 2HB TYR 22 -6.005 -5.908 -3.839 186 2HB TYR 22 1HB TYR 22 -6.729 -6.847 -5.145 187 HD1 TYR 22 HD1 TYR 22 -3.578 -7.666 -3.354 188 HD2 TYR 22 HD2 TYR 22 -7.733 -8.619 -3.886 189 HE1 TYR 22 HE1 TYR 22 -3.271 -9.742 -2.034 190 HE2 TYR 22 HE2 TYR 22 -7.425 -10.696 -2.567 191 HH TYR 22 HH TYR 22 -5.758 -11.476 -0.733 192 H GLY 23 H GLY 23 -2.394 -7.704 -5.674 193 1HA GLY 23 2HA GLY 23 -3.472 -9.568 -7.736 194 2HA GLY 23 1HA GLY 23 -1.764 -9.184 -7.517 195 H GLY 24 H GLY 24 -1.653 -11.644 -7.499 196 1HA GLY 24 2HA GLY 24 -2.085 -12.617 -4.703 197 2HA GLY 24 1HA GLY 24 -2.391 -13.652 -6.099 198 H CYS 25 H CYS 25 -0.165 -12.954 -7.687 199 HA CYS 25 HA CYS 25 2.251 -13.407 -6.035 200 1HB CYS 25 2HB CYS 25 2.724 -15.505 -7.361 201 2HB CYS 25 1HB CYS 25 1.327 -15.637 -6.293 202 1HN NH2 26 1H CYS 25 4.149 -12.707 -7.179 203 2HN NH2 26 2H CYS 25 4.111 -12.098 -8.763 204 1HA MPT 1 1HA MPT 1 9.297 -9.825 1.344 205 2HA MPT 1 2HA MPT 1 8.469 -8.943 0.052 206 1HB MPT 1 1HB MPT 1 9.255 -7.920 2.505 207 2HB MPT 1 2HB MPT 1 7.555 -8.297 2.784 208 H LYS 2 H LYS 2 7.940 -11.550 0.005 209 HA LYS 2 HA LYS 2 6.054 -12.985 -0.094 210 1HB LYS 2 2HB LYS 2 7.213 -13.046 2.272 211 2HB LYS 2 1HB LYS 2 5.722 -12.273 2.810 212 1HG LYS 2 2HG LYS 2 4.456 -14.143 1.655 213 2HG LYS 2 1HG LYS 2 6.007 -14.953 1.431 214 1HD LYS 2 2HD LYS 2 5.157 -13.993 4.157 215 2HD LYS 2 1HD LYS 2 4.607 -15.551 3.540 216 1HE LYS 2 2HE LYS 2 6.874 -16.353 3.315 217 2HE LYS 2 1HE LYS 2 7.532 -14.742 3.659 218 1HZ LYS 2 1HZ LYS 2 5.859 -16.368 5.500 219 2HZ LYS 2 2HZ LYS 2 6.432 -14.801 5.820 220 3HZ LYS 2 3HZ LYS 2 7.524 -16.093 5.661 221 H ALA 3 H ALA 3 5.404 -10.315 -0.857 222 HA ALA 3 HA ALA 3 2.728 -9.882 0.418 223 1HB ALA 3 1HB ALA 3 4.203 -7.985 0.597 224 2HB ALA 3 2HB ALA 3 3.028 -7.593 -0.658 225 3HB ALA 3 3HB ALA 3 4.656 -8.106 -1.102 226 H ARG 4 H ARG 4 1.494 -8.442 -1.577 227 HA ARG 4 HA ARG 4 1.717 -9.486 -4.232 228 1HB ARG 4 2HB ARG 4 -0.277 -11.055 -4.062 229 2HB ARG 4 1HB ARG 4 1.174 -11.610 -3.225 230 1HG ARG 4 2HG ARG 4 0.285 -10.686 -1.102 231 2HG ARG 4 1HG ARG 4 -1.183 -10.192 -1.947 232 1HD ARG 4 2HD ARG 4 -2.037 -12.258 -1.585 233 2HD ARG 4 1HD ARG 4 -0.734 -12.940 -2.580 234 HE ARG 4 HE ARG 4 0.423 -13.503 -0.590 235 1HH1 ARG 4 1HH1 ARG 4 -2.633 -12.521 0.239 236 2HH1 ARG 4 2HH1 ARG 4 -2.242 -11.994 1.842 237 1HH2 ARG 4 1HH2 ARG 4 1.184 -12.256 1.377 238 2HH2 ARG 4 2HH2 ARG 4 -0.080 -11.844 2.486 239 H ILE 5 H ILE 5 1.193 -6.939 -3.212 240 HA ILE 5 HA ILE 5 -1.601 -6.476 -4.185 241 HB ILE 5 HB ILE 5 -0.220 -5.488 -1.679 242 1HG1 ILE 5 2HG1 ILE 5 -3.033 -6.480 -1.792 243 2HG1 ILE 5 1HG1 ILE 5 -1.752 -7.671 -2.019 244 1HG2 ILE 5 1HG2 ILE 5 -2.812 -4.477 -2.892 245 2HG2 ILE 5 2HG2 ILE 5 -1.294 -3.579 -2.856 246 3HG2 ILE 5 3HG2 ILE 5 -2.121 -3.974 -1.349 247 1HD1 ILE 5 1HD1 ILE 5 -2.676 -6.717 0.429 248 2HD1 ILE 5 2HD1 ILE 5 -1.167 -5.839 0.177 249 3HD1 ILE 5 3HD1 ILE 5 -1.175 -7.603 0.164 250 H ILE 6 H ILE 6 -0.939 -5.550 -6.162 251 HA ILE 6 HA ILE 6 1.267 -3.691 -6.404 252 HB ILE 6 HB ILE 6 -1.118 -4.446 -8.112 253 1HG1 ILE 6 2HG1 ILE 6 1.850 -5.066 -8.263 254 2HG1 ILE 6 1HG1 ILE 6 0.578 -6.192 -7.785 255 1HG2 ILE 6 1HG2 ILE 6 -0.596 -2.260 -8.866 256 2HG2 ILE 6 2HG2 ILE 6 0.302 -3.321 -9.951 257 3HG2 ILE 6 3HG2 ILE 6 1.135 -2.502 -8.628 258 1HD1 ILE 6 1HD1 ILE 6 -0.331 -5.220 -10.216 259 2HD1 ILE 6 2HD1 ILE 6 0.480 -6.767 -9.972 260 3HD1 ILE 6 3HD1 ILE 6 1.410 -5.353 -10.466 261 H ARG 7 H ARG 7 1.213 -1.641 -5.574 262 HA ARG 7 HA ARG 7 -1.405 -0.296 -5.150 263 1HB ARG 7 2HB ARG 7 1.335 -0.236 -4.050 264 2HB ARG 7 1HB ARG 7 0.569 1.348 -4.177 265 1HG ARG 7 2HG ARG 7 -1.428 -0.368 -3.184 266 2HG ARG 7 1HG ARG 7 0.035 -0.785 -2.291 267 1HD ARG 7 2HD ARG 7 -0.486 1.016 -0.985 268 2HD ARG 7 1HD ARG 7 0.123 1.989 -2.340 269 HE ARG 7 HE ARG 7 -2.251 1.934 -3.237 270 1HH1 ARG 7 1HH1 ARG 7 -2.213 0.279 -0.334 271 2HH1 ARG 7 2HH1 ARG 7 -3.493 1.179 0.408 272 1HH2 ARG 7 1HH2 ARG 7 -3.634 3.560 -2.109 273 2HH2 ARG 7 2HH2 ARG 7 -4.299 3.037 -0.597 274 H TYR 8 H TYR 8 -2.113 1.084 -6.726 275 HA TYR 8 HA TYR 8 -0.073 2.370 -8.510 276 1HB TYR 8 2HB TYR 8 -2.739 1.118 -8.858 277 2HB TYR 8 1HB TYR 8 -2.466 2.582 -9.803 278 HD1 TYR 8 HD1 TYR 8 -2.167 1.734 -12.000 279 HD2 TYR 8 HD2 TYR 8 0.058 0.057 -8.732 280 HE1 TYR 8 HE1 TYR 8 -0.785 0.444 -13.604 281 HE2 TYR 8 HE2 TYR 8 1.441 -1.233 -10.337 282 HH TYR 8 HH TYR 8 0.728 -2.016 -13.162 283 H PHE 9 H PHE 9 -0.760 4.585 -9.297 284 HA PHE 9 HA PHE 9 -2.634 6.035 -7.504 285 1HB PHE 9 2HB PHE 9 0.206 5.930 -7.189 286 2HB PHE 9 1HB PHE 9 -0.216 7.558 -7.723 287 HD1 PHE 9 HD1 PHE 9 -0.456 5.110 -5.024 288 HD2 PHE 9 HD2 PHE 9 -1.842 8.925 -6.427 289 HE1 PHE 9 HE1 PHE 9 -1.287 5.643 -2.749 290 HE2 PHE 9 HE2 PHE 9 -2.674 9.459 -4.151 291 HZ PHE 9 HZ PHE 9 -2.396 7.818 -2.313 292 H TYR 10 H TYR 10 -3.677 7.648 -8.643 293 HA TYR 10 HA TYR 10 -2.605 8.319 -11.364 294 1HB TYR 10 2HB TYR 10 -4.737 7.044 -11.245 295 2HB TYR 10 1HB TYR 10 -5.439 8.339 -10.274 296 HD1 TYR 10 HD1 TYR 10 -6.963 9.566 -11.544 297 HD2 TYR 10 HD2 TYR 10 -3.265 8.313 -13.334 298 HE1 TYR 10 HE1 TYR 10 -7.545 10.805 -13.612 299 HE2 TYR 10 HE2 TYR 10 -3.846 9.552 -15.402 300 HH TYR 10 HH TYR 10 -5.954 10.349 -16.535 301 H ASN 11 H ASN 11 -1.782 9.722 -8.943 302 HA ASN 11 HA ASN 11 -3.253 12.104 -8.423 303 1HB ASN 11 2HB ASN 11 -1.141 12.852 -7.458 304 2HB ASN 11 1HB ASN 11 -1.333 11.129 -7.129 305 1HD2 ASN 11 1HD2 ASN 11 0.175 9.666 -8.090 306 2HD2 ASN 11 2HD2 ASN 11 1.484 10.180 -9.040 307 H ALA 12 H ALA 12 -1.183 14.083 -8.980 308 HA ALA 12 HA ALA 12 -2.022 15.242 -11.368 309 1HB ALA 12 1HB ALA 12 -0.154 16.656 -11.073 310 2HB ALA 12 2HB ALA 12 0.852 15.344 -10.458 311 3HB ALA 12 3HB ALA 12 -0.429 16.019 -9.452 312 H LYS 13 H LYS 13 -1.731 14.742 -13.511 313 HA LYS 13 HA LYS 13 -0.576 12.336 -14.437 314 1HB LYS 13 2HB LYS 13 -0.901 14.990 -15.876 315 2HB LYS 13 1HB LYS 13 -0.812 13.403 -16.638 316 1HG LYS 13 2HG LYS 13 -2.979 12.933 -16.172 317 2HG LYS 13 1HG LYS 13 -2.851 13.568 -14.530 318 1HD LYS 13 2HD LYS 13 -2.652 15.718 -16.460 319 2HD LYS 13 1HD LYS 13 -4.131 14.792 -16.721 320 1HE LYS 13 2HE LYS 13 -4.900 15.185 -14.500 321 2HE LYS 13 1HE LYS 13 -3.299 15.733 -13.962 322 1HZ LYS 13 1HZ LYS 13 -4.714 17.630 -14.431 323 2HZ LYS 13 2HZ LYS 13 -5.004 17.060 -16.006 324 3HZ LYS 13 3HZ LYS 13 -3.445 17.562 -15.553 325 H ASP 14 H ASP 14 0.956 15.303 -13.511 326 HA ASP 14 HA ASP 14 3.306 15.308 -15.088 327 1HB ASP 14 2HB ASP 14 2.347 16.927 -13.280 328 2HB ASP 14 1HB ASP 14 3.258 15.936 -12.139 329 H GLY 15 H GLY 15 2.373 13.244 -12.399 330 1HA GLY 15 2HA GLY 15 5.108 12.111 -12.222 331 2HA GLY 15 1HA GLY 15 3.766 11.735 -11.139 332 H CLH 16 H CLH 16 2.889 11.746 -14.436 333 HA CLH 16 HA CLH 16 2.092 9.955 -15.774 334 1HB CLH 16 1HB CLH 16 4.458 8.339 -15.068 335 2HB CLH 16 2HB CLH 16 4.828 10.007 -15.502 336 1HG CLH 16 1HG CLH 16 4.798 9.116 -17.622 337 2HG CLH 16 2HG CLH 16 3.072 9.439 -17.463 338 1HD CLH 16 1HD CLH 16 3.570 6.921 -16.236 339 2HD CLH 16 2HD CLH 16 4.398 6.911 -17.794 340 1HE CLH 16 1HE CLH 16 2.426 6.939 -18.963 341 2HE CLH 16 2HE CLH 16 1.664 8.072 -17.828 342 HNZ CLH 16 HNZ CLH 16 1.828 5.864 -16.279 343 1HI CLH 16 1HI CLH 16 0.381 4.220 -16.038 344 2HI CLH 16 2HI CLH 16 -0.897 4.095 -17.248 345 HNJ CLH 16 HNJ CLH 16 0.551 2.491 -18.473 346 HL CLH 16 HL CLH 16 3.022 0.849 -17.537 347 2HN ABA 17 HN ABA 17 0.925 9.815 -13.233 348 HA ABA 17 HA ABA 17 -0.178 8.278 -11.816 349 1HB ABA 17 1HB ABA 17 0.731 6.227 -13.845 350 2HB ABA 17 2HB ABA 17 -0.547 7.388 -14.202 351 1HG ABA 17 1HG ABA 17 -1.908 6.554 -12.397 352 2HG ABA 17 2HG ABA 17 -0.584 5.564 -11.784 353 3HG ABA 17 3HG ABA 17 -1.355 5.154 -13.315 354 H GLN 18 H GLN 18 1.022 8.075 -9.933 355 HA GLN 18 HA GLN 18 3.677 7.059 -9.723 356 1HB GLN 18 2HB GLN 18 1.624 8.122 -8.092 357 2HB GLN 18 1HB GLN 18 2.075 6.580 -7.363 358 1HG GLN 18 2HG GLN 18 4.446 7.253 -7.384 359 2HG GLN 18 1HG GLN 18 4.005 8.793 -8.125 360 1HE2 GLN 18 1HE2 GLN 18 2.581 6.921 -5.380 361 2HE2 GLN 18 2HE2 GLN 18 2.634 8.215 -4.282 362 H THR 19 H THR 19 4.338 4.983 -8.726 363 HA THR 19 HA THR 19 2.356 2.768 -8.909 364 HB THR 19 HB THR 19 5.037 2.461 -10.221 365 HG1 THR 19 HG1 THR 19 3.856 3.177 -12.175 366 1HG2 THR 19 1HG2 THR 19 2.252 1.373 -10.703 367 2HG2 THR 19 2HG2 THR 19 3.632 0.500 -10.039 368 3HG2 THR 19 3HG2 THR 19 3.642 1.012 -11.726 369 H PHE 20 H PHE 20 3.052 0.873 -7.719 370 HA PHE 20 HA PHE 20 5.397 1.360 -5.908 371 1HB PHE 20 2HB PHE 20 2.576 0.438 -5.468 372 2HB PHE 20 1HB PHE 20 3.838 -0.170 -4.395 373 HD1 PHE 20 HD1 PHE 20 4.593 1.138 -2.596 374 HD2 PHE 20 HD2 PHE 20 2.475 3.006 -5.833 375 HE1 PHE 20 HE1 PHE 20 4.558 3.277 -1.339 376 HE2 PHE 20 HE2 PHE 20 2.440 5.143 -4.577 377 HZ PHE 20 HZ PHE 20 3.481 5.279 -2.330 378 H VAL 21 H VAL 21 6.052 -0.871 -4.867 379 HA VAL 21 HA VAL 21 5.855 -3.055 -6.909 380 HB VAL 21 HB VAL 21 8.338 -2.109 -5.438 381 1HG1 VAL 21 1HG1 VAL 21 9.084 -4.165 -6.007 382 2HG1 VAL 21 2HG1 VAL 21 9.045 -3.606 -7.680 383 3HG1 VAL 21 3HG1 VAL 21 7.667 -4.479 -7.009 384 1HG2 VAL 21 1HG2 VAL 21 8.228 -0.445 -6.998 385 2HG2 VAL 21 2HG2 VAL 21 7.076 -1.328 -8.001 386 3HG2 VAL 21 3HG2 VAL 21 8.799 -1.698 -8.101 387 H TYR 22 H TYR 22 4.200 -3.668 -5.116 388 HA TYR 22 HA TYR 22 5.331 -4.611 -2.573 389 1HB TYR 22 2HB TYR 22 2.813 -3.896 -3.675 390 2HB TYR 22 1HB TYR 22 2.687 -5.585 -3.181 391 HD1 TYR 22 HD1 TYR 22 4.183 -5.957 -0.844 392 HD2 TYR 22 HD2 TYR 22 2.055 -2.424 -2.042 393 HE1 TYR 22 HE1 TYR 22 4.014 -5.254 1.528 394 HE2 TYR 22 HE2 TYR 22 1.886 -1.721 0.330 395 HH TYR 22 HH TYR 22 2.744 -2.096 2.421 396 H GLY 23 H GLY 23 5.398 -5.819 -5.675 397 1HA GLY 23 2HA GLY 23 5.194 -8.652 -4.751 398 2HA GLY 23 1HA GLY 23 5.021 -8.137 -6.429 399 H GLY 24 H GLY 24 7.491 -6.467 -4.796 400 1HA GLY 24 2HA GLY 24 9.538 -8.332 -5.933 401 2HA GLY 24 1HA GLY 24 9.689 -6.579 -6.064 402 H CYS 25 H CYS 25 9.621 -5.409 -3.864 403 HA CYS 25 HA CYS 25 10.763 -5.059 -1.819 404 1HB CYS 25 2HB CYS 25 8.850 -7.053 -1.645 405 2HB CYS 25 1HB CYS 25 10.272 -7.818 -0.933 406 1HN NH2 26 1H CYS 25 12.171 -7.074 -0.234 407 2HN NH2 26 2H CYS 25 13.546 -7.550 -1.108 Start of MODEL 5 1 1HA MPT 1 1HA MPT 1 -5.147 -17.267 0.587 2 2HA MPT 1 2HA MPT 1 -6.890 -17.500 0.784 3 1HB MPT 1 1HB MPT 1 -6.586 -16.620 -1.847 4 2HB MPT 1 2HB MPT 1 -6.806 -18.297 -1.347 5 H LYS 2 H LYS 2 -5.438 -15.158 -1.428 6 HA LYS 2 HA LYS 2 -6.803 -12.988 0.106 7 1HB LYS 2 2HB LYS 2 -3.892 -13.329 -0.566 8 2HB LYS 2 1HB LYS 2 -4.567 -11.702 -0.462 9 1HG LYS 2 2HG LYS 2 -4.886 -13.776 1.722 10 2HG LYS 2 1HG LYS 2 -3.594 -12.575 1.705 11 1HD LYS 2 2HD LYS 2 -6.561 -11.947 1.649 12 2HD LYS 2 1HD LYS 2 -5.521 -11.815 3.067 13 1HE LYS 2 2HE LYS 2 -4.868 -9.750 2.411 14 2HE LYS 2 1HE LYS 2 -4.298 -10.406 0.864 15 1HZ LYS 2 1HZ LYS 2 -6.218 -8.753 0.777 16 2HZ LYS 2 2HZ LYS 2 -7.176 -10.003 1.413 17 3HZ LYS 2 3HZ LYS 2 -6.404 -10.200 -0.088 18 H ALA 3 H ALA 3 -8.267 -13.306 -1.839 19 HA ALA 3 HA ALA 3 -7.145 -12.302 -4.407 20 1HB ALA 3 1HB ALA 3 -9.555 -12.973 -5.108 21 2HB ALA 3 2HB ALA 3 -9.669 -13.693 -3.502 22 3HB ALA 3 3HB ALA 3 -8.451 -14.267 -4.641 23 H CLG 4 H CLG 4 -7.080 -10.212 -2.756 24 HA CLG 4 HA CLG 4 -9.295 -8.685 -2.105 25 1HB CLG 4 1HB CLG 4 -6.826 -7.590 -3.463 26 2HB CLG 4 2HB CLG 4 -6.819 -8.201 -1.807 27 1HG CLG 4 1HG CLG 4 -8.873 -6.573 -1.521 28 2HG CLG 4 2HG CLG 4 -8.172 -5.769 -2.926 29 1HD CLG 4 1HD CLG 4 -6.102 -5.394 -1.782 30 2HD CLG 4 2HD CLG 4 -6.555 -6.476 -0.467 31 1HE CLG 4 1HE CLG 4 -8.377 -4.913 0.178 32 2HE CLG 4 2HE CLG 4 -7.883 -3.819 -1.131 33 HNZ CLG 4 HNZ CLG 4 -5.608 -4.523 0.494 34 1HI CLG 4 1HI CLG 4 -5.706 -2.651 3.022 35 2HI CLG 4 2HI CLG 4 -4.576 -2.980 1.708 36 HNJ CLG 4 HNJ CLG 4 -6.057 -0.388 1.808 37 1HL CLG 4 1HL CLG 4 -4.539 1.304 0.515 38 2HL CLG 4 2HL CLG 4 -4.313 1.507 2.251 39 H ILE 5 H ILE 5 -9.966 -6.582 -3.385 40 HA ILE 5 HA ILE 5 -10.471 -7.356 -6.243 41 HB ILE 5 HB ILE 5 -12.649 -6.181 -5.910 42 1HG1 ILE 5 2HG1 ILE 5 -12.641 -6.165 -3.032 43 2HG1 ILE 5 1HG1 ILE 5 -11.296 -5.186 -3.617 44 1HG2 ILE 5 1HG2 ILE 5 -13.674 -7.912 -4.566 45 2HG2 ILE 5 2HG2 ILE 5 -12.141 -8.265 -3.769 46 3HG2 ILE 5 3HG2 ILE 5 -12.356 -8.647 -5.478 47 1HD1 ILE 5 1HD1 ILE 5 -12.931 -4.054 -5.186 48 2HD1 ILE 5 2HD1 ILE 5 -13.211 -3.734 -3.474 49 3HD1 ILE 5 3HD1 ILE 5 -14.225 -4.895 -4.331 50 H ILE 6 H ILE 6 -9.890 -5.825 -7.750 51 HA ILE 6 HA ILE 6 -8.212 -3.668 -7.322 52 HB ILE 6 HB ILE 6 -10.477 -3.976 -9.322 53 1HG1 ILE 6 2HG1 ILE 6 -7.550 -4.507 -9.803 54 2HG1 ILE 6 1HG1 ILE 6 -8.568 -5.744 -9.065 55 1HG2 ILE 6 1HG2 ILE 6 -8.956 -2.493 -10.734 56 2HG2 ILE 6 2HG2 ILE 6 -8.083 -2.126 -9.246 57 3HG2 ILE 6 3HG2 ILE 6 -9.784 -1.687 -9.402 58 1HD1 ILE 6 1HD1 ILE 6 -8.626 -4.646 -11.837 59 2HD1 ILE 6 2HD1 ILE 6 -10.174 -5.077 -11.107 60 3HD1 ILE 6 3HD1 ILE 6 -8.908 -6.294 -11.275 61 H ARG 7 H ARG 7 -8.540 -1.388 -6.971 62 HA ARG 7 HA ARG 7 -11.240 -0.338 -6.513 63 1HB ARG 7 2HB ARG 7 -11.034 -1.496 -4.454 64 2HB ARG 7 1HB ARG 7 -9.331 -1.069 -4.290 65 1HG ARG 7 2HG ARG 7 -10.789 0.268 -2.776 66 2HG ARG 7 1HG ARG 7 -9.921 1.279 -3.932 67 1HD ARG 7 2HD ARG 7 -12.109 0.891 -5.403 68 2HD ARG 7 1HD ARG 7 -12.843 0.633 -3.807 69 HE ARG 7 HE ARG 7 -11.174 3.058 -4.340 70 1HH1 ARG 7 1HH1 ARG 7 -12.551 2.341 -1.678 71 2HH1 ARG 7 2HH1 ARG 7 -13.924 3.395 -1.737 72 1HH2 ARG 7 1HH2 ARG 7 -13.598 4.060 -5.125 73 2HH2 ARG 7 2HH2 ARG 7 -14.517 4.368 -3.689 74 H TYR 8 H TYR 8 -10.920 1.580 -7.584 75 HA TYR 8 HA TYR 8 -8.455 3.162 -6.935 76 1HB TYR 8 2HB TYR 8 -9.050 4.254 -9.177 77 2HB TYR 8 1HB TYR 8 -8.538 2.571 -9.266 78 HD1 TYR 8 HD1 TYR 8 -11.688 4.547 -8.725 79 HD2 TYR 8 HD2 TYR 8 -9.839 1.115 -10.530 80 HE1 TYR 8 HE1 TYR 8 -13.844 3.946 -9.790 81 HE2 TYR 8 HE2 TYR 8 -11.996 0.514 -11.595 82 HH TYR 8 HH TYR 8 -14.816 1.445 -10.686 83 H PHE 9 H PHE 9 -8.859 5.583 -6.834 84 HA PHE 9 HA PHE 9 -11.640 6.072 -5.836 85 1HB PHE 9 2HB PHE 9 -10.520 7.960 -4.561 86 2HB PHE 9 1HB PHE 9 -10.027 6.339 -4.086 87 HD1 PHE 9 HD1 PHE 9 -9.022 8.827 -6.744 88 HD2 PHE 9 HD2 PHE 9 -7.774 6.106 -3.663 89 HE1 PHE 9 HE1 PHE 9 -6.662 9.415 -7.185 90 HE2 PHE 9 HE2 PHE 9 -5.409 6.694 -4.107 91 HZ PHE 9 HZ PHE 9 -4.852 8.353 -5.866 92 H TYR 10 H TYR 10 -10.855 6.212 -8.612 93 HA TYR 10 HA TYR 10 -10.405 8.035 -10.289 94 1HB TYR 10 2HB TYR 10 -12.329 6.643 -10.666 95 2HB TYR 10 1HB TYR 10 -13.267 7.529 -9.463 96 HD1 TYR 10 HD1 TYR 10 -11.049 8.589 -12.301 97 HD2 TYR 10 HD2 TYR 10 -14.936 8.791 -10.485 98 HE1 TYR 10 HE1 TYR 10 -11.782 10.189 -14.048 99 HE2 TYR 10 HE2 TYR 10 -15.669 10.392 -12.232 100 HH TYR 10 HH TYR 10 -15.021 10.976 -14.575 101 H ASN 11 H ASN 11 -13.325 9.417 -9.061 102 HA ASN 11 HA ASN 11 -13.832 11.618 -8.367 103 1HB ASN 11 2HB ASN 11 -11.074 11.190 -7.173 104 2HB ASN 11 1HB ASN 11 -12.157 12.508 -6.723 105 1HD2 ASN 11 1HD2 ASN 11 -11.416 10.695 -4.722 106 2HD2 ASN 11 2HD2 ASN 11 -12.739 9.711 -4.319 107 H ALA 12 H ALA 12 -13.726 12.407 -10.610 108 HA ALA 12 HA ALA 12 -11.242 13.408 -11.742 109 1HB ALA 12 1HB ALA 12 -13.690 12.694 -12.674 110 2HB ALA 12 2HB ALA 12 -12.579 13.719 -13.584 111 3HB ALA 12 3HB ALA 12 -13.879 14.447 -12.638 112 H LYS 13 H LYS 13 -13.350 14.588 -9.343 113 HA LYS 13 HA LYS 13 -13.471 17.371 -9.764 114 1HB LYS 13 2HB LYS 13 -13.092 15.692 -7.264 115 2HB LYS 13 1HB LYS 13 -13.501 17.407 -7.226 116 1HG LYS 13 2HG LYS 13 -15.653 17.040 -7.872 117 2HG LYS 13 1HG LYS 13 -15.198 15.767 -9.005 118 1HD LYS 13 2HD LYS 13 -14.704 14.342 -6.905 119 2HD LYS 13 1HD LYS 13 -15.638 15.554 -6.028 120 1HE LYS 13 2HE LYS 13 -16.964 14.656 -8.495 121 2HE LYS 13 1HE LYS 13 -16.733 13.360 -7.304 122 1HZ LYS 13 1HZ LYS 13 -17.982 16.016 -6.852 123 2HZ LYS 13 2HZ LYS 13 -17.551 14.956 -5.596 124 3HZ LYS 13 3HZ LYS 13 -18.730 14.499 -6.731 125 H ASP 14 H ASP 14 -11.165 15.978 -7.434 126 HA ASP 14 HA ASP 14 -9.293 18.169 -7.781 127 1HB ASP 14 2HB ASP 14 -9.046 15.432 -6.483 128 2HB ASP 14 1HB ASP 14 -7.944 16.785 -6.224 129 H GLY 15 H GLY 15 -10.010 15.502 -9.701 130 1HA GLY 15 2HA GLY 15 -8.915 14.777 -11.669 131 2HA GLY 15 1HA GLY 15 -7.587 15.878 -11.294 132 H LEU 16 H LEU 16 -9.037 12.823 -10.131 133 HA LEU 16 HA LEU 16 -6.260 11.788 -9.708 134 1HB LEU 16 2HB LEU 16 -8.228 12.526 -7.749 135 2HB LEU 16 1HB LEU 16 -8.001 10.778 -7.685 136 HG LEU 16 HG LEU 16 -5.479 11.271 -7.703 137 1HD1 LEU 16 1HD1 LEU 16 -6.652 13.988 -7.595 138 2HD1 LEU 16 2HD1 LEU 16 -5.076 13.465 -8.188 139 3HD1 LEU 16 3HD1 LEU 16 -5.338 13.688 -6.458 140 1HD2 LEU 16 1HD2 LEU 16 -5.660 10.825 -5.499 141 2HD2 LEU 16 2HD2 LEU 16 -7.391 11.142 -5.628 142 3HD2 LEU 16 3HD2 LEU 16 -6.287 12.443 -5.183 143 2HN ABA 17 HN ABA 17 -6.334 9.336 -9.434 144 HA ABA 17 HA ABA 17 -8.627 7.767 -10.088 145 1HB ABA 17 1HB ABA 17 -6.875 7.917 -12.495 146 2HB ABA 17 2HB ABA 17 -7.929 9.299 -12.202 147 1HG ABA 17 1HG ABA 17 -9.522 8.064 -13.252 148 2HG ABA 17 2HG ABA 17 -9.614 7.162 -11.738 149 3HG ABA 17 3HG ABA 17 -8.608 6.568 -13.061 150 H GLN 18 H GLN 18 -6.629 7.315 -8.272 151 HA GLN 18 HA GLN 18 -4.498 5.633 -9.365 152 1HB GLN 18 2HB GLN 18 -4.345 7.055 -7.305 153 2HB GLN 18 1HB GLN 18 -5.518 5.984 -6.538 154 1HG GLN 18 2HG GLN 18 -3.416 4.412 -7.720 155 2HG GLN 18 1HG GLN 18 -2.722 5.632 -6.655 156 1HE2 GLN 18 1HE2 GLN 18 -5.950 4.191 -6.203 157 2HE2 GLN 18 2HE2 GLN 18 -5.574 3.399 -4.750 158 H THR 19 H THR 19 -4.408 3.387 -9.296 159 HA THR 19 HA THR 19 -6.949 1.955 -8.600 160 HB THR 19 HB THR 19 -4.784 1.542 -10.676 161 HG1 THR 19 HG1 THR 19 -6.249 2.374 -11.903 162 1HG2 THR 19 1HG2 THR 19 -6.128 -0.500 -11.325 163 2HG2 THR 19 2HG2 THR 19 -6.976 -0.347 -9.786 164 3HG2 THR 19 3HG2 THR 19 -5.240 -0.656 -9.809 165 H PHE 20 H PHE 20 -6.364 1.453 -6.416 166 HA PHE 20 HA PHE 20 -3.782 0.060 -5.944 167 1HB PHE 20 2HB PHE 20 -4.353 1.777 -4.381 168 2HB PHE 20 1HB PHE 20 -6.007 1.184 -4.229 169 HD1 PHE 20 HD1 PHE 20 -6.458 0.118 -2.220 170 HD2 PHE 20 HD2 PHE 20 -2.558 -0.291 -3.970 171 HE1 PHE 20 HE1 PHE 20 -5.766 -1.337 -0.337 172 HE2 PHE 20 HE2 PHE 20 -1.864 -1.747 -2.086 173 HZ PHE 20 HZ PHE 20 -3.470 -2.271 -0.269 174 H VAL 21 H VAL 21 -3.717 -2.153 -5.935 175 HA VAL 21 HA VAL 21 -6.209 -3.654 -5.221 176 HB VAL 21 HB VAL 21 -4.312 -4.411 -7.456 177 1HG1 VAL 21 1HG1 VAL 21 -5.762 -6.193 -6.595 178 2HG1 VAL 21 2HG1 VAL 21 -6.288 -5.716 -8.210 179 3HG1 VAL 21 3HG1 VAL 21 -7.176 -5.159 -6.791 180 1HG2 VAL 21 1HG2 VAL 21 -6.702 -2.569 -7.464 181 2HG2 VAL 21 2HG2 VAL 21 -6.264 -3.486 -8.906 182 3HG2 VAL 21 3HG2 VAL 21 -5.125 -2.329 -8.216 183 H TYR 22 H TYR 22 -5.430 -4.423 -3.222 184 HA TYR 22 HA TYR 22 -2.766 -5.780 -3.214 185 1HB TYR 22 2HB TYR 22 -2.972 -4.062 -1.558 186 2HB TYR 22 1HB TYR 22 -4.567 -4.637 -1.073 187 HD1 TYR 22 HD1 TYR 22 -1.917 -7.037 -1.882 188 HD2 TYR 22 HD2 TYR 22 -3.849 -4.868 1.284 189 HE1 TYR 22 HE1 TYR 22 -0.876 -8.545 -0.212 190 HE2 TYR 22 HE2 TYR 22 -2.806 -6.376 2.954 191 HH TYR 22 HH TYR 22 -0.462 -8.850 1.981 192 H GLY 23 H GLY 23 -4.189 -7.505 -4.475 193 1HA GLY 23 2HA GLY 23 -5.523 -9.267 -2.460 194 2HA GLY 23 1HA GLY 23 -5.908 -9.278 -4.181 195 H GLY 24 H GLY 24 -5.196 -11.175 -5.021 196 1HA GLY 24 2HA GLY 24 -3.055 -12.247 -5.847 197 2HA GLY 24 1HA GLY 24 -2.497 -12.150 -4.177 198 H CYS 25 H CYS 25 -4.148 -14.082 -6.436 199 HA CYS 25 HA CYS 25 -5.190 -16.193 -6.231 200 1HB CYS 25 2HB CYS 25 -3.133 -16.814 -5.179 201 2HB CYS 25 1HB CYS 25 -3.537 -15.931 -3.707 202 1HN NH2 26 1H CYS 25 -6.971 -17.323 -4.962 203 2HN NH2 26 2H CYS 25 -7.955 -16.405 -3.927 204 1HA MPT 1 1HA MPT 1 8.884 -10.390 -4.724 205 2HA MPT 1 2HA MPT 1 9.201 -9.213 -3.441 206 1HB MPT 1 1HB MPT 1 9.040 -11.536 -2.021 207 2HB MPT 1 2HB MPT 1 10.550 -10.914 -2.685 208 H LYS 2 H LYS 2 7.714 -9.526 -1.456 209 HA LYS 2 HA LYS 2 5.079 -10.712 -1.976 210 1HB LYS 2 2HB LYS 2 6.489 -9.256 0.246 211 2HB LYS 2 1HB LYS 2 4.739 -9.461 0.322 212 1HG LYS 2 2HG LYS 2 5.993 -11.945 -0.461 213 2HG LYS 2 1HG LYS 2 6.704 -11.355 1.042 214 1HD LYS 2 2HD LYS 2 3.917 -10.916 1.261 215 2HD LYS 2 1HD LYS 2 4.112 -12.549 0.622 216 1HE LYS 2 2HE LYS 2 5.582 -11.488 3.062 217 2HE LYS 2 1HE LYS 2 4.137 -12.516 3.123 218 1HZ LYS 2 1HZ LYS 2 5.781 -14.097 3.103 219 2HZ LYS 2 2HZ LYS 2 6.836 -13.162 2.154 220 3HZ LYS 2 3HZ LYS 2 5.503 -13.936 1.438 221 H ALA 3 H ALA 3 5.480 -8.870 -3.969 222 HA ALA 3 HA ALA 3 4.198 -6.317 -3.137 223 1HB ALA 3 1HB ALA 3 4.734 -6.396 -5.909 224 2HB ALA 3 2HB ALA 3 6.068 -7.252 -5.134 225 3HB ALA 3 3HB ALA 3 5.692 -5.594 -4.665 226 H ARG 4 H ARG 4 2.229 -8.015 -2.796 227 HA ARG 4 HA ARG 4 0.781 -8.561 -5.319 228 1HB ARG 4 2HB ARG 4 1.036 -9.876 -2.963 229 2HB ARG 4 1HB ARG 4 -0.443 -8.970 -2.638 230 1HG ARG 4 2HG ARG 4 -1.105 -11.063 -3.617 231 2HG ARG 4 1HG ARG 4 -1.333 -9.824 -4.852 232 1HD ARG 4 2HD ARG 4 1.184 -10.480 -5.470 233 2HD ARG 4 1HD ARG 4 0.698 -12.018 -4.729 234 HE ARG 4 HE ARG 4 -1.438 -11.290 -6.387 235 1HH1 ARG 4 1HH1 ARG 4 0.662 -13.630 -6.570 236 2HH1 ARG 4 2HH1 ARG 4 1.109 -13.477 -8.236 237 1HH2 ARG 4 1HH2 ARG 4 -0.318 -10.338 -8.605 238 2HH2 ARG 4 2HH2 ARG 4 0.554 -11.613 -9.389 239 H ILE 5 H ILE 5 1.286 -5.760 -4.452 240 HA ILE 5 HA ILE 5 -1.555 -4.864 -4.162 241 HB ILE 5 HB ILE 5 -0.695 -3.036 -2.771 242 1HG1 ILE 5 2HG1 ILE 5 1.601 -3.173 -4.028 243 2HG1 ILE 5 1HG1 ILE 5 1.579 -2.683 -2.337 244 1HG2 ILE 5 1HG2 ILE 5 -1.158 -4.560 -1.172 245 2HG2 ILE 5 2HG2 ILE 5 0.583 -4.836 -1.096 246 3HG2 ILE 5 3HG2 ILE 5 -0.431 -5.872 -2.100 247 1HD1 ILE 5 1HD1 ILE 5 2.756 -4.503 -1.698 248 2HD1 ILE 5 2HD1 ILE 5 3.089 -4.756 -3.411 249 3HD1 ILE 5 3HD1 ILE 5 1.736 -5.587 -2.645 250 H ILE 6 H ILE 6 -0.632 -5.139 -6.718 251 HA ILE 6 HA ILE 6 0.890 -3.114 -7.911 252 HB ILE 6 HB ILE 6 -0.235 -5.149 -8.941 253 1HG1 ILE 6 2HG1 ILE 6 -1.105 -3.129 -10.819 254 2HG1 ILE 6 1HG1 ILE 6 0.410 -2.635 -10.062 255 1HG2 ILE 6 1HG2 ILE 6 -2.496 -5.218 -9.301 256 2HG2 ILE 6 2HG2 ILE 6 -2.612 -3.478 -9.562 257 3HG2 ILE 6 3HG2 ILE 6 -2.521 -4.119 -7.923 258 1HD1 ILE 6 1HD1 ILE 6 0.539 -5.440 -10.683 259 2HD1 ILE 6 2HD1 ILE 6 1.552 -4.132 -11.293 260 3HD1 ILE 6 3HD1 ILE 6 0.054 -4.550 -12.126 261 H ARG 7 H ARG 7 0.674 -0.925 -7.666 262 HA ARG 7 HA ARG 7 -2.098 0.207 -7.499 263 1HB ARG 7 2HB ARG 7 -1.052 1.891 -5.940 264 2HB ARG 7 1HB ARG 7 -1.050 0.243 -5.316 265 1HG ARG 7 2HG ARG 7 1.326 0.615 -6.870 266 2HG ARG 7 1HG ARG 7 1.188 1.955 -5.732 267 1HD ARG 7 2HD ARG 7 0.497 -0.619 -4.509 268 2HD ARG 7 1HD ARG 7 2.169 -0.558 -5.098 269 HE ARG 7 HE ARG 7 1.948 1.867 -3.884 270 1HH1 ARG 7 1HH1 ARG 7 -0.153 -0.357 -2.652 271 2HH1 ARG 7 2HH1 ARG 7 0.576 -0.482 -1.085 272 1HH2 ARG 7 1HH2 ARG 7 3.413 1.306 -1.969 273 2HH2 ARG 7 2HH2 ARG 7 2.594 0.460 -0.699 274 H TYR 8 H TYR 8 -2.348 2.315 -8.444 275 HA TYR 8 HA TYR 8 -0.080 3.252 -10.160 276 1HB TYR 8 2HB TYR 8 -2.992 2.853 -10.919 277 2HB TYR 8 1HB TYR 8 -1.758 3.544 -11.973 278 HD1 TYR 8 HD1 TYR 8 0.123 2.155 -12.792 279 HD2 TYR 8 HD2 TYR 8 -3.073 0.479 -10.465 280 HE1 TYR 8 HE1 TYR 8 0.820 -0.123 -13.478 281 HE2 TYR 8 HE2 TYR 8 -2.378 -1.800 -11.152 282 HH TYR 8 HH TYR 8 -1.138 -2.890 -12.916 283 H PHE 9 H PHE 9 -0.037 4.819 -8.201 284 HA PHE 9 HA PHE 9 -2.257 6.774 -8.119 285 1HB PHE 9 2HB PHE 9 -0.817 5.757 -6.178 286 2HB PHE 9 1HB PHE 9 0.367 6.972 -6.654 287 HD1 PHE 9 HD1 PHE 9 -0.451 9.421 -6.849 288 HD2 PHE 9 HD2 PHE 9 -2.627 6.342 -4.791 289 HE1 PHE 9 HE1 PHE 9 -1.720 11.150 -5.605 290 HE2 PHE 9 HE2 PHE 9 -3.897 8.071 -3.548 291 HZ PHE 9 HZ PHE 9 -3.444 10.476 -3.955 292 H TYR 10 H TYR 10 -2.221 8.638 -9.299 293 HA TYR 10 HA TYR 10 0.362 9.908 -10.000 294 1HB TYR 10 2HB TYR 10 -0.315 8.134 -11.727 295 2HB TYR 10 1HB TYR 10 -1.667 9.194 -12.130 296 HD1 TYR 10 HD1 TYR 10 -1.366 10.989 -13.621 297 HD2 TYR 10 HD2 TYR 10 2.057 9.171 -11.769 298 HE1 TYR 10 HE1 TYR 10 0.132 12.363 -15.042 299 HE2 TYR 10 HE2 TYR 10 3.555 10.545 -13.190 300 HH TYR 10 HH TYR 10 3.376 12.782 -14.422 301 H ASN 11 H ASN 11 -1.431 10.982 -8.242 302 HA ASN 11 HA ASN 11 -3.570 12.540 -9.282 303 1HB ASN 11 2HB ASN 11 -3.480 13.593 -7.157 304 2HB ASN 11 1HB ASN 11 -2.820 11.985 -6.868 305 1HD2 ASN 11 1HD2 ASN 11 -0.233 12.807 -8.323 306 2HD2 ASN 11 2HD2 ASN 11 0.596 13.754 -7.187 307 H ALA 12 H ALA 12 -2.458 15.143 -8.174 308 HA ALA 12 HA ALA 12 -1.806 16.462 -10.584 309 1HB ALA 12 1HB ALA 12 -1.253 18.297 -9.129 310 2HB ALA 12 2HB ALA 12 -0.844 17.203 -7.808 311 3HB ALA 12 3HB ALA 12 -2.523 17.384 -8.315 312 H LYS 13 H LYS 13 0.105 16.707 -11.715 313 HA LYS 13 HA LYS 13 2.333 14.978 -11.281 314 1HB LYS 13 2HB LYS 13 3.382 16.531 -12.991 315 2HB LYS 13 1HB LYS 13 1.796 15.907 -13.449 316 1HG LYS 13 2HG LYS 13 1.549 18.346 -11.887 317 2HG LYS 13 1HG LYS 13 2.550 18.604 -13.318 318 1HD LYS 13 2HD LYS 13 0.830 18.110 -14.784 319 2HD LYS 13 1HD LYS 13 0.014 17.049 -13.633 320 1HE LYS 13 2HE LYS 13 0.215 20.036 -13.167 321 2HE LYS 13 1HE LYS 13 -1.129 19.311 -14.073 322 1HZ LYS 13 1HZ LYS 13 -0.266 18.612 -11.316 323 2HZ LYS 13 2HZ LYS 13 -1.443 17.759 -12.198 324 3HZ LYS 13 3HZ LYS 13 -1.713 19.377 -11.757 325 H ASP 14 H ASP 14 2.564 15.553 -8.871 326 HA ASP 14 HA ASP 14 4.942 17.021 -8.383 327 1HB ASP 14 2HB ASP 14 3.761 19.015 -7.231 328 2HB ASP 14 1HB ASP 14 3.791 19.015 -8.993 329 H GLY 15 H GLY 15 1.829 15.884 -7.187 330 1HA GLY 15 2HA GLY 15 2.430 15.978 -4.386 331 2HA GLY 15 1HA GLY 15 1.223 14.928 -5.130 332 H CLH 16 H CLH 16 1.828 12.803 -5.732 333 HA CLH 16 HA CLH 16 4.623 11.933 -5.285 334 1HB CLH 16 1HB CLH 16 3.684 11.883 -3.054 335 2HB CLH 16 2HB CLH 16 3.788 10.217 -3.623 336 1HG CLH 16 1HG CLH 16 1.368 10.501 -4.417 337 2HG CLH 16 2HG CLH 16 1.338 11.985 -3.466 338 1HD CLH 16 1HD CLH 16 0.726 10.639 -1.741 339 2HD CLH 16 2HD CLH 16 2.426 10.171 -1.695 340 1HE CLH 16 1HE CLH 16 2.006 8.227 -3.064 341 2HE CLH 16 2HE CLH 16 0.357 8.773 -3.428 342 HNZ CLH 16 HNZ CLH 16 0.107 8.646 -0.805 343 1HI CLH 16 1HI CLH 16 1.308 6.024 0.787 344 2HI CLH 16 2HI CLH 16 -0.123 7.052 0.685 345 HNJ CLH 16 HNJ CLH 16 -0.759 4.996 -1.015 346 HL CLH 16 HL CLH 16 -1.102 2.727 -0.571 347 2HN ABA 17 HN ABA 17 5.088 10.330 -6.747 348 HA ABA 17 HA ABA 17 2.854 9.161 -8.318 349 1HB ABA 17 1HB ABA 17 4.802 10.239 -9.412 350 2HB ABA 17 2HB ABA 17 4.699 8.529 -9.834 351 1HG ABA 17 1HG ABA 17 6.708 8.112 -8.895 352 2HG ABA 17 2HG ABA 17 6.233 8.912 -7.396 353 3HG ABA 17 3HG ABA 17 6.912 9.855 -8.723 354 H GLN 18 H GLN 18 2.033 7.313 -7.377 355 HA GLN 18 HA GLN 18 3.993 5.327 -6.270 356 1HB GLN 18 2HB GLN 18 2.321 6.522 -4.735 357 2HB GLN 18 1HB GLN 18 1.063 5.612 -5.570 358 1HG GLN 18 2HG GLN 18 2.507 3.526 -5.032 359 2HG GLN 18 1HG GLN 18 3.308 4.566 -3.854 360 1HE2 GLN 18 1HE2 GLN 18 -0.167 4.431 -4.807 361 2HE2 GLN 18 2HE2 GLN 18 -0.735 4.108 -3.240 362 H THR 19 H THR 19 3.745 5.058 -8.919 363 HA THR 19 HA THR 19 1.597 3.021 -9.387 364 HB THR 19 HB THR 19 3.196 4.849 -11.204 365 HG1 THR 19 HG1 THR 19 1.320 5.892 -11.412 366 1HG2 THR 19 1HG2 THR 19 1.742 2.355 -11.765 367 2HG2 THR 19 2HG2 THR 19 2.930 3.212 -12.748 368 3HG2 THR 19 3HG2 THR 19 1.241 3.719 -12.764 369 H PHE 20 H PHE 20 2.942 1.317 -8.380 370 HA PHE 20 HA PHE 20 4.975 0.258 -10.279 371 1HB PHE 20 2HB PHE 20 6.496 -0.036 -8.227 372 2HB PHE 20 1HB PHE 20 6.300 1.614 -8.823 373 HD1 PHE 20 HD1 PHE 20 4.689 -0.803 -6.449 374 HD2 PHE 20 HD2 PHE 20 5.684 3.285 -7.310 375 HE1 PHE 20 HE1 PHE 20 3.764 -0.116 -4.253 376 HE2 PHE 20 HE2 PHE 20 4.757 3.972 -5.114 377 HZ PHE 20 HZ PHE 20 3.799 2.271 -3.586 378 H VAL 21 H VAL 21 5.570 -1.995 -9.741 379 HA VAL 21 HA VAL 21 3.857 -3.419 -7.786 380 HB VAL 21 HB VAL 21 2.529 -3.234 -9.856 381 1HG1 VAL 21 1HG1 VAL 21 3.336 -3.819 -11.964 382 2HG1 VAL 21 2HG1 VAL 21 4.583 -4.877 -11.302 383 3HG1 VAL 21 3HG1 VAL 21 4.780 -3.126 -11.224 384 1HG2 VAL 21 1HG2 VAL 21 3.360 -5.679 -8.593 385 2HG2 VAL 21 2HG2 VAL 21 3.082 -5.988 -10.307 386 3HG2 VAL 21 3HG2 VAL 21 1.798 -5.295 -9.317 387 H TYR 22 H TYR 22 5.533 -4.464 -6.703 388 HA TYR 22 HA TYR 22 7.859 -5.493 -8.222 389 1HB TYR 22 2HB TYR 22 7.524 -6.091 -5.327 390 2HB TYR 22 1HB TYR 22 8.925 -5.460 -6.184 391 HD1 TYR 22 HD1 TYR 22 7.035 -4.603 -3.587 392 HD2 TYR 22 HD2 TYR 22 7.920 -3.060 -7.497 393 HE1 TYR 22 HE1 TYR 22 6.470 -2.317 -2.811 394 HE2 TYR 22 HE2 TYR 22 7.355 -0.774 -6.721 395 HH TYR 22 HH TYR 22 7.378 0.378 -4.228 396 H GLY 23 H GLY 23 4.867 -6.619 -7.975 397 1HA GLY 23 2HA GLY 23 4.918 -9.177 -6.823 398 2HA GLY 23 1HA GLY 23 3.954 -8.767 -8.244 399 H GLY 24 H GLY 24 5.020 -11.303 -8.083 400 1HA GLY 24 2HA GLY 24 6.124 -11.928 -10.462 401 2HA GLY 24 1HA GLY 24 7.548 -11.337 -9.606 402 H CYS 25 H CYS 25 6.456 -12.361 -7.006 403 HA CYS 25 HA CYS 25 6.876 -15.295 -7.478 404 1HB CYS 25 2HB CYS 25 8.211 -15.213 -5.365 405 2HB CYS 25 1HB CYS 25 8.895 -14.192 -6.633 406 1HN NH2 26 1H CYS 25 6.300 -16.401 -5.106 407 2HN NH2 26 2H CYS 25 4.793 -15.919 -4.488 Start of MODEL 6 1 1HA MPT 1 1HA MPT 1 -13.890 -14.870 -10.747 2 2HA MPT 1 2HA MPT 1 -12.386 -15.611 -11.315 3 1HB MPT 1 1HB MPT 1 -13.619 -16.308 -9.018 4 2HB MPT 1 2HB MPT 1 -12.650 -14.969 -8.402 5 H LYS 2 H LYS 2 -11.309 -13.921 -12.260 6 HA LYS 2 HA LYS 2 -10.191 -11.845 -12.449 7 1HB LYS 2 2HB LYS 2 -12.679 -11.264 -11.861 8 2HB LYS 2 1HB LYS 2 -12.025 -10.850 -10.276 9 1HG LYS 2 2HG LYS 2 -11.805 -8.804 -11.338 10 2HG LYS 2 1HG LYS 2 -10.245 -9.524 -11.742 11 1HD LYS 2 2HD LYS 2 -11.255 -10.372 -13.877 12 2HD LYS 2 1HD LYS 2 -12.724 -9.477 -13.486 13 1HE LYS 2 2HE LYS 2 -11.812 -7.558 -14.271 14 2HE LYS 2 1HE LYS 2 -10.399 -7.757 -13.216 15 1HZ LYS 2 1HZ LYS 2 -9.581 -7.937 -15.404 16 2HZ LYS 2 2HZ LYS 2 -10.856 -8.948 -15.891 17 3HZ LYS 2 3HZ LYS 2 -9.667 -9.531 -14.828 18 H ALA 3 H ALA 3 -8.285 -12.841 -11.412 19 HA ALA 3 HA ALA 3 -7.951 -12.625 -8.507 20 1HB ALA 3 1HB ALA 3 -6.991 -14.453 -9.851 21 2HB ALA 3 2HB ALA 3 -5.705 -13.530 -9.074 22 3HB ALA 3 3HB ALA 3 -6.055 -13.286 -10.784 23 H CLG 4 H CLG 4 -8.545 -10.078 -9.456 24 HA CLG 4 HA CLG 4 -6.166 -8.581 -8.660 25 1HB CLG 4 1HB CLG 4 -7.207 -8.163 -11.469 26 2HB CLG 4 2HB CLG 4 -5.896 -9.292 -11.123 27 1HG CLG 4 1HG CLG 4 -4.712 -7.368 -9.952 28 2HG CLG 4 2HG CLG 4 -5.945 -6.303 -10.629 29 1HD CLG 4 1HD CLG 4 -4.456 -8.193 -12.433 30 2HD CLG 4 2HD CLG 4 -3.696 -6.678 -11.939 31 1HE CLG 4 1HE CLG 4 -6.397 -6.098 -12.710 32 2HE CLG 4 2HE CLG 4 -5.644 -7.064 -13.995 33 HNZ CLG 4 HNZ CLG 4 -3.650 -5.338 -13.520 34 1HI CLG 4 1HI CLG 4 -3.575 -2.790 -13.416 35 2HI CLG 4 2HI CLG 4 -3.743 -3.205 -15.122 36 HNJ CLG 4 HNJ CLG 4 -6.000 -1.813 -14.812 37 1HL CLG 4 1HL CLG 4 -5.751 0.718 -15.421 38 2HL CLG 4 2HL CLG 4 -6.415 0.555 -13.796 39 H ILE 5 H ILE 5 -8.197 -8.203 -7.190 40 HA ILE 5 HA ILE 5 -10.499 -6.800 -7.948 41 HB ILE 5 HB ILE 5 -9.866 -7.705 -5.691 42 1HG1 ILE 5 2HG1 ILE 5 -10.490 -5.045 -4.812 43 2HG1 ILE 5 1HG1 ILE 5 -11.333 -5.345 -6.332 44 1HG2 ILE 5 1HG2 ILE 5 -7.570 -6.325 -5.981 45 2HG2 ILE 5 2HG2 ILE 5 -8.215 -6.764 -4.400 46 3HG2 ILE 5 3HG2 ILE 5 -8.487 -5.145 -5.046 47 1HD1 ILE 5 1HD1 ILE 5 -11.529 -6.870 -3.741 48 2HD1 ILE 5 2HD1 ILE 5 -11.980 -7.627 -5.269 49 3HD1 ILE 5 3HD1 ILE 5 -12.827 -6.182 -4.716 50 H ILE 6 H ILE 6 -10.806 -4.794 -8.837 51 HA ILE 6 HA ILE 6 -8.477 -2.945 -9.016 52 HB ILE 6 HB ILE 6 -11.195 -2.942 -10.372 53 1HG1 ILE 6 2HG1 ILE 6 -8.640 -3.702 -11.741 54 2HG1 ILE 6 1HG1 ILE 6 -9.423 -4.900 -10.709 55 1HG2 ILE 6 1HG2 ILE 6 -9.866 -1.525 -12.046 56 2HG2 ILE 6 2HG2 ILE 6 -8.640 -1.378 -10.786 57 3HG2 ILE 6 3HG2 ILE 6 -10.267 -0.751 -10.513 58 1HD1 ILE 6 1HD1 ILE 6 -10.098 -4.244 -13.371 59 2HD1 ILE 6 2HD1 ILE 6 -11.393 -3.592 -12.367 60 3HD1 ILE 6 3HD1 ILE 6 -10.986 -5.305 -12.277 61 H ARG 7 H ARG 7 -8.810 -2.369 -6.649 62 HA ARG 7 HA ARG 7 -11.224 -0.740 -6.073 63 1HB ARG 7 2HB ARG 7 -9.942 -2.528 -4.597 64 2HB ARG 7 1HB ARG 7 -8.906 -1.153 -4.210 65 1HG ARG 7 2HG ARG 7 -11.279 0.038 -3.860 66 2HG ARG 7 1HG ARG 7 -11.770 -1.622 -3.521 67 1HD ARG 7 2HD ARG 7 -9.333 -1.297 -2.150 68 2HD ARG 7 1HD ARG 7 -10.251 0.189 -1.840 69 HE ARG 7 HE ARG 7 -11.241 -2.570 -1.271 70 1HH1 ARG 7 1HH2 ARG 7 -10.610 0.131 0.391 71 2HH1 ARG 7 2HH2 ARG 7 -12.216 0.441 0.958 72 1HH2 ARG 7 1HH1 ARG 7 -13.697 -1.867 -1.165 73 2HH2 ARG 7 2HH1 ARG 7 -13.964 -0.690 0.077 74 H TYR 8 H TYR 8 -10.965 1.260 -7.108 75 HA TYR 8 HA TYR 8 -8.565 2.857 -6.287 76 1HB TYR 8 2HB TYR 8 -8.498 3.727 -8.596 77 2HB TYR 8 1HB TYR 8 -8.347 1.970 -8.594 78 HD1 TYR 8 HD1 TYR 8 -10.285 4.794 -9.729 79 HD2 TYR 8 HD2 TYR 8 -10.440 0.565 -8.994 80 HE1 TYR 8 HE1 TYR 8 -12.296 4.616 -11.171 81 HE2 TYR 8 HE2 TYR 8 -12.450 0.387 -10.436 82 HH TYR 8 HH TYR 8 -14.060 3.245 -11.702 83 H PHE 9 H PHE 9 -9.068 5.290 -6.924 84 HA PHE 9 HA PHE 9 -11.952 5.898 -6.384 85 1HB PHE 9 2HB PHE 9 -9.585 7.317 -5.135 86 2HB PHE 9 1HB PHE 9 -11.281 7.435 -4.665 87 HD1 PHE 9 HD1 PHE 9 -12.256 4.752 -4.524 88 HD2 PHE 9 HD2 PHE 9 -8.371 6.239 -3.459 89 HE1 PHE 9 HE1 PHE 9 -11.957 2.850 -2.960 90 HE2 PHE 9 HE2 PHE 9 -8.072 4.337 -1.895 91 HZ PHE 9 HZ PHE 9 -9.865 2.643 -1.646 92 H TYR 10 H TYR 10 -11.680 6.223 -8.857 93 HA TYR 10 HA TYR 10 -10.086 8.170 -10.084 94 1HB TYR 10 2HB TYR 10 -11.861 6.505 -10.987 95 2HB TYR 10 1HB TYR 10 -13.020 7.801 -10.691 96 HD1 TYR 10 HD1 TYR 10 -13.201 9.650 -12.171 97 HD2 TYR 10 HD2 TYR 10 -9.861 6.967 -12.486 98 HE1 TYR 10 HE1 TYR 10 -12.526 10.739 -14.294 99 HE2 TYR 10 HE2 TYR 10 -9.187 8.056 -14.608 100 HH TYR 10 HH TYR 10 -10.891 9.629 -16.489 101 H ASN 11 H ASN 11 -10.299 10.428 -10.397 102 HA ASN 11 HA ASN 11 -12.554 11.927 -9.287 103 1HB ASN 11 2HB ASN 11 -10.942 11.120 -7.388 104 2HB ASN 11 1HB ASN 11 -9.871 12.384 -7.993 105 1HD2 ASN 11 1HD2 ASN 11 -11.258 12.383 -5.374 106 2HD2 ASN 11 2HD2 ASN 11 -12.266 13.749 -5.367 107 H ALA 12 H ALA 12 -12.264 12.491 -11.671 108 HA ALA 12 HA ALA 12 -10.017 13.830 -12.747 109 1HB ALA 12 1HB ALA 12 -12.964 13.717 -13.225 110 2HB ALA 12 2HB ALA 12 -11.638 13.282 -14.304 111 3HB ALA 12 3HB ALA 12 -12.056 14.978 -14.059 112 H LYS 13 H LYS 13 -12.604 15.030 -10.658 113 HA LYS 13 HA LYS 13 -12.357 17.810 -10.941 114 1HB LYS 13 2HB LYS 13 -13.530 15.948 -9.198 115 2HB LYS 13 1HB LYS 13 -12.517 16.950 -8.158 116 1HG LYS 13 2HG LYS 13 -14.086 18.561 -8.240 117 2HG LYS 13 1HG LYS 13 -13.797 18.711 -9.974 118 1HD LYS 13 2HD LYS 13 -15.423 16.900 -10.402 119 2HD LYS 13 1HD LYS 13 -15.719 16.760 -8.668 120 1HE LYS 13 2HE LYS 13 -17.383 18.283 -9.024 121 2HE LYS 13 1HE LYS 13 -16.073 19.476 -9.137 122 1HZ LYS 13 1HZ LYS 13 -15.879 19.050 -11.480 123 2HZ LYS 13 2HZ LYS 13 -17.496 19.442 -11.135 124 3HZ LYS 13 3HZ LYS 13 -17.051 17.825 -11.407 125 H ASP 14 H ASP 14 -10.796 16.068 -8.246 126 HA ASP 14 HA ASP 14 -8.687 18.101 -8.079 127 1HB ASP 14 2HB ASP 14 -9.938 16.168 -6.426 128 2HB ASP 14 1HB ASP 14 -8.242 15.693 -6.538 129 H GLY 15 H GLY 15 -9.203 15.449 -10.055 130 1HA GLY 15 2HA GLY 15 -7.761 14.348 -11.552 131 2HA GLY 15 1HA GLY 15 -6.481 15.445 -11.033 132 H LEU 16 H LEU 16 -7.988 13.871 -8.427 133 HA LEU 16 HA LEU 16 -5.560 12.249 -7.949 134 1HB LEU 16 2HB LEU 16 -6.948 13.775 -6.330 135 2HB LEU 16 1HB LEU 16 -8.021 12.380 -6.217 136 HG LEU 16 HG LEU 16 -5.153 11.741 -5.956 137 1HD1 LEU 16 1HD1 LEU 16 -5.204 12.510 -3.523 138 2HD1 LEU 16 2HD1 LEU 16 -6.598 13.498 -3.960 139 3HD1 LEU 16 3HD1 LEU 16 -5.036 13.791 -4.724 140 1HD2 LEU 16 1HD2 LEU 16 -7.647 11.105 -4.346 141 2HD2 LEU 16 2HD2 LEU 16 -6.065 10.368 -4.090 142 3HD2 LEU 16 3HD2 LEU 16 -6.935 10.089 -5.599 143 2HN ABA 17 HN ABA 17 -5.538 10.220 -8.857 144 HA ABA 17 HA ABA 17 -8.095 8.647 -8.834 145 1HB ABA 17 1HB ABA 17 -5.841 8.393 -10.836 146 2HB ABA 17 2HB ABA 17 -7.159 9.544 -11.059 147 1HG ABA 17 1HG ABA 17 -8.504 7.222 -10.417 148 2HG ABA 17 2HG ABA 17 -7.148 6.619 -11.369 149 3HG ABA 17 3HG ABA 17 -8.243 7.817 -12.057 150 H GLN 18 H GLN 18 -7.093 8.004 -6.632 151 HA GLN 18 HA GLN 18 -4.670 6.507 -6.437 152 1HB GLN 18 2HB GLN 18 -6.553 7.485 -4.747 153 2HB GLN 18 1HB GLN 18 -6.993 5.777 -4.732 154 1HG GLN 18 2HG GLN 18 -4.268 5.627 -4.520 155 2HG GLN 18 1HG GLN 18 -4.604 7.112 -3.628 156 1HE2 GLN 18 1HE2 GLN 18 -6.025 3.795 -3.906 157 2HE2 GLN 18 2HE2 GLN 18 -6.307 3.624 -2.241 158 H THR 19 H THR 19 -4.331 4.756 -7.794 159 HA THR 19 HA THR 19 -6.582 2.852 -8.267 160 HB THR 19 HB THR 19 -3.910 3.401 -9.583 161 HG1 THR 19 HG1 THR 19 -5.581 3.612 -11.361 162 1HG2 THR 19 1HG2 THR 19 -5.460 0.955 -9.546 163 2HG2 THR 19 2HG2 THR 19 -3.902 1.272 -10.309 164 3HG2 THR 19 3HG2 THR 19 -5.397 1.626 -11.177 165 H PHE 20 H PHE 20 -6.452 1.740 -6.205 166 HA PHE 20 HA PHE 20 -3.887 0.408 -5.519 167 1HB PHE 20 2HB PHE 20 -5.508 1.638 -3.926 168 2HB PHE 20 1HB PHE 20 -6.548 0.223 -4.095 169 HD1 PHE 20 HD1 PHE 20 -5.042 -2.094 -3.995 170 HD2 PHE 20 HD2 PHE 20 -4.172 1.624 -2.027 171 HE1 PHE 20 HE1 PHE 20 -3.674 -3.303 -2.317 172 HE2 PHE 20 HE2 PHE 20 -2.803 0.415 -0.349 173 HZ PHE 20 HZ PHE 20 -2.554 -2.048 -0.495 174 H VAL 21 H VAL 21 -3.512 -1.616 -6.338 175 HA VAL 21 HA VAL 21 -5.882 -3.319 -7.040 176 HB VAL 21 HB VAL 21 -3.064 -3.374 -8.161 177 1HG1 VAL 21 1HG1 VAL 21 -3.999 -5.425 -8.724 178 2HG1 VAL 21 2HG1 VAL 21 -4.541 -4.439 -10.083 179 3HG1 VAL 21 3HG1 VAL 21 -5.643 -4.785 -8.749 180 1HG2 VAL 21 1HG2 VAL 21 -3.635 -1.443 -9.196 181 2HG2 VAL 21 2HG2 VAL 21 -5.310 -1.566 -8.656 182 3HG2 VAL 21 3HG2 VAL 21 -4.790 -2.404 -10.118 183 H TYR 22 H TYR 22 -5.510 -5.680 -6.753 184 HA TYR 22 HA TYR 22 -3.258 -6.618 -5.150 185 1HB TYR 22 2HB TYR 22 -4.727 -5.273 -3.579 186 2HB TYR 22 1HB TYR 22 -5.997 -6.463 -3.860 187 HD1 TYR 22 HD1 TYR 22 -2.306 -6.961 -3.546 188 HD2 TYR 22 HD2 TYR 22 -6.184 -7.650 -1.832 189 HE1 TYR 22 HE1 TYR 22 -1.289 -8.450 -1.844 190 HE2 TYR 22 HE2 TYR 22 -5.166 -9.139 -0.130 191 HH TYR 22 HH TYR 22 -2.576 -10.610 -0.288 192 H GLY 23 H GLY 23 -3.885 -8.959 -4.301 193 1HA GLY 23 2HA GLY 23 -5.407 -10.287 -6.504 194 2HA GLY 23 1HA GLY 23 -4.105 -11.051 -5.591 195 H GLY 24 H GLY 24 -7.162 -11.561 -5.976 196 1HA GLY 24 2HA GLY 24 -7.753 -11.866 -3.057 197 2HA GLY 24 1HA GLY 24 -9.006 -11.557 -4.259 198 H CYS 25 H CYS 25 -8.933 -13.270 -6.140 199 HA CYS 25 HA CYS 25 -9.551 -15.829 -5.043 200 1HB CYS 25 2HB CYS 25 -9.926 -14.503 -7.387 201 2HB CYS 25 1HB CYS 25 -8.661 -15.635 -7.868 202 1HN NH2 26 1H CYS 25 -6.620 -14.809 -6.907 203 2HN NH2 26 2H CYS 25 -5.638 -16.076 -6.350 204 1HA MPT 1 1HA MPT 1 0.745 -8.035 -17.487 205 2HA MPT 1 2HA MPT 1 -0.997 -8.350 -17.466 206 1HB MPT 1 1HB MPT 1 -0.599 -6.830 -15.193 207 2HB MPT 1 2HB MPT 1 -1.105 -6.179 -16.753 208 H LYS 2 H LYS 2 -1.870 -9.572 -15.735 209 HA LYS 2 HA LYS 2 -1.837 -11.142 -13.963 210 1HB LYS 2 2HB LYS 2 0.851 -11.670 -15.272 211 2HB LYS 2 1HB LYS 2 -0.058 -12.813 -14.284 212 1HG LYS 2 2HG LYS 2 -1.314 -11.563 -16.719 213 2HG LYS 2 1HG LYS 2 -0.273 -12.979 -16.874 214 1HD LYS 2 2HD LYS 2 -2.712 -12.803 -15.078 215 2HD LYS 2 1HD LYS 2 -2.663 -13.614 -16.645 216 1HE LYS 2 2HE LYS 2 -0.666 -14.959 -15.657 217 2HE LYS 2 1HE LYS 2 -1.267 -14.394 -14.084 218 1HZ LYS 2 1HZ LYS 2 -3.397 -15.294 -14.523 219 2HZ LYS 2 2HZ LYS 2 -2.284 -16.522 -14.896 220 3HZ LYS 2 3HZ LYS 2 -3.014 -15.626 -16.141 221 H ALA 3 H ALA 3 -1.298 -8.779 -12.832 222 HA ALA 3 HA ALA 3 1.345 -8.723 -11.545 223 1HB ALA 3 1HB ALA 3 -0.979 -7.010 -11.964 224 2HB ALA 3 2HB ALA 3 0.697 -6.555 -11.653 225 3HB ALA 3 3HB ALA 3 -0.386 -6.906 -10.306 226 H ARG 4 H ARG 4 0.657 -7.904 -8.959 227 HA ARG 4 HA ARG 4 -0.921 -10.152 -7.800 228 1HB ARG 4 2HB ARG 4 1.625 -10.554 -8.020 229 2HB ARG 4 1HB ARG 4 1.787 -9.341 -6.750 230 1HG ARG 4 2HG ARG 4 1.340 -10.920 -5.214 231 2HG ARG 4 1HG ARG 4 -0.259 -11.132 -5.927 232 1HD ARG 4 2HD ARG 4 1.087 -13.264 -5.861 233 2HD ARG 4 1HD ARG 4 0.630 -12.789 -7.508 234 HE ARG 4 HE ARG 4 3.191 -11.676 -6.605 235 1HH1 ARG 4 1HH2 ARG 4 2.061 -12.585 -9.400 236 2HH1 ARG 4 2HH2 ARG 4 3.191 -13.847 -9.763 237 1HH2 ARG 4 1HH1 ARG 4 4.429 -14.030 -6.529 238 2HH2 ARG 4 2HH1 ARG 4 4.531 -14.666 -8.137 239 H ILE 5 H ILE 5 1.116 -7.435 -6.755 240 HA ILE 5 HA ILE 5 -1.215 -6.280 -5.297 241 HB ILE 5 HB ILE 5 -0.038 -7.771 -3.747 242 1HG1 ILE 5 2HG1 ILE 5 0.897 -4.995 -3.037 243 2HG1 ILE 5 1HG1 ILE 5 -0.827 -5.368 -3.102 244 1HG2 ILE 5 1HG2 ILE 5 2.162 -7.432 -5.154 245 2HG2 ILE 5 2HG2 ILE 5 2.273 -7.760 -3.426 246 3HG2 ILE 5 3HG2 ILE 5 2.450 -6.111 -4.023 247 1HD1 ILE 5 1HD1 ILE 5 0.551 -7.455 -1.673 248 2HD1 ILE 5 2HD1 ILE 5 -0.725 -6.382 -1.098 249 3HD1 ILE 5 3HD1 ILE 5 0.964 -5.891 -0.971 250 H ILE 6 H ILE 6 -0.860 -4.762 -7.216 251 HA ILE 6 HA ILE 6 1.453 -2.910 -6.767 252 HB ILE 6 HB ILE 6 1.245 -4.050 -8.965 253 1HG1 ILE 6 2HG1 ILE 6 0.480 -1.200 -9.492 254 2HG1 ILE 6 1HG1 ILE 6 1.946 -1.520 -8.566 255 1HG2 ILE 6 1HG2 ILE 6 -1.465 -2.715 -8.893 256 2HG2 ILE 6 2HG2 ILE 6 -1.091 -4.414 -9.188 257 3HG2 ILE 6 3HG2 ILE 6 -0.712 -3.201 -10.412 258 1HD1 ILE 6 1HD1 ILE 6 2.672 -1.440 -10.823 259 2HD1 ILE 6 2HD1 ILE 6 1.294 -2.389 -11.384 260 3HD1 ILE 6 3HD1 ILE 6 2.573 -3.160 -10.446 261 H ARG 7 H ARG 7 0.805 -0.549 -7.447 262 HA ARG 7 HA ARG 7 -1.988 0.217 -7.039 263 1HB ARG 7 2HB ARG 7 -1.272 -0.393 -4.762 264 2HB ARG 7 1HB ARG 7 0.097 0.712 -4.890 265 1HG ARG 7 2HG ARG 7 -2.173 2.229 -5.594 266 2HG ARG 7 1HG ARG 7 -2.640 1.298 -4.170 267 1HD ARG 7 2HD ARG 7 -0.031 2.188 -3.612 268 2HD ARG 7 1HD ARG 7 -0.857 3.584 -4.331 269 HE ARG 7 HE ARG 7 -2.676 3.239 -2.653 270 1HH1 ARG 7 1HH2 ARG 7 -0.965 0.512 -2.167 271 2HH1 ARG 7 2HH2 ARG 7 -0.596 0.772 -0.495 272 1HH2 ARG 7 1HH1 ARG 7 -1.642 4.077 -0.504 273 2HH2 ARG 7 2HH1 ARG 7 -0.980 2.790 0.447 274 H TYR 8 H TYR 8 -2.046 1.821 -8.575 275 HA TYR 8 HA TYR 8 0.288 3.663 -8.863 276 1HB TYR 8 2HB TYR 8 -2.156 3.027 -10.544 277 2HB TYR 8 1HB TYR 8 -0.969 4.254 -10.983 278 HD1 TYR 8 HD1 TYR 8 -1.524 0.633 -10.460 279 HD2 TYR 8 HD2 TYR 8 1.229 3.654 -11.780 280 HE1 TYR 8 HE1 TYR 8 -0.079 -1.119 -11.456 281 HE2 TYR 8 HE2 TYR 8 2.677 1.901 -12.773 282 HH TYR 8 HH TYR 8 2.296 -0.502 -13.667 283 H PHE 9 H PHE 9 0.110 5.670 -7.898 284 HA PHE 9 HA PHE 9 -2.553 6.986 -7.799 285 1HB PHE 9 2HB PHE 9 -2.573 5.771 -5.757 286 2HB PHE 9 1HB PHE 9 -0.870 6.106 -5.449 287 HD1 PHE 9 HD1 PHE 9 -0.587 7.524 -3.628 288 HD2 PHE 9 HD2 PHE 9 -3.838 8.228 -6.346 289 HE1 PHE 9 HE1 PHE 9 -1.216 9.554 -2.350 290 HE2 PHE 9 HE2 PHE 9 -4.466 10.257 -5.067 291 HZ PHE 9 HZ PHE 9 -3.155 10.922 -3.070 292 H TYR 10 H TYR 10 -1.651 8.654 -9.168 293 HA TYR 10 HA TYR 10 0.858 9.985 -8.504 294 1HB TYR 10 2HB TYR 10 0.148 10.053 -10.775 295 2HB TYR 10 1HB TYR 10 -1.474 10.517 -10.344 296 HD1 TYR 10 HD1 TYR 10 1.516 11.962 -8.761 297 HD2 TYR 10 HD2 TYR 10 -1.521 12.517 -11.746 298 HE1 TYR 10 HE1 TYR 10 2.163 14.345 -8.974 299 HE2 TYR 10 HE2 TYR 10 -0.874 14.899 -11.957 300 HH TYR 10 HH TYR 10 1.079 16.483 -9.719 301 H ASN 11 H ASN 11 -2.083 11.788 -9.078 302 HA ASN 11 HA ASN 11 -3.048 12.630 -6.636 303 1HB ASN 11 2HB ASN 11 -0.908 13.248 -5.823 304 2HB ASN 11 1HB ASN 11 -0.401 13.885 -7.387 305 1HD2 ASN 11 1HD2 ASN 11 -2.856 14.523 -4.816 306 2HD2 ASN 11 2HD2 ASN 11 -2.834 16.208 -5.011 307 H ALA 12 H ALA 12 -1.496 14.968 -8.816 308 HA ALA 12 HA ALA 12 -4.171 15.969 -9.609 309 1HB ALA 12 1HB ALA 12 -1.352 16.968 -10.122 310 2HB ALA 12 2HB ALA 12 -2.394 17.485 -8.796 311 3HB ALA 12 3HB ALA 12 -2.833 17.866 -10.461 312 H LYS 13 H LYS 13 -3.320 17.086 -12.103 313 HA LYS 13 HA LYS 13 -3.574 16.476 -14.379 314 1HB LYS 13 2HB LYS 13 -1.095 16.077 -13.364 315 2HB LYS 13 1HB LYS 13 -1.439 14.455 -13.969 316 1HG LYS 13 2HG LYS 13 -1.675 15.197 -16.186 317 2HG LYS 13 1HG LYS 13 -1.971 16.864 -15.694 318 1HD LYS 13 2HD LYS 13 0.234 17.017 -16.408 319 2HD LYS 13 1HD LYS 13 0.471 16.667 -14.696 320 1HE LYS 13 2HE LYS 13 1.737 14.905 -15.386 321 2HE LYS 13 1HE LYS 13 0.209 14.140 -15.867 322 1HZ LYS 13 1HZ LYS 13 2.153 15.587 -17.502 323 2HZ LYS 13 2HZ LYS 13 0.511 15.779 -17.894 324 3HZ LYS 13 3HZ LYS 13 1.212 14.232 -17.893 325 H ASP 14 H ASP 14 -2.814 13.896 -15.502 326 HA ASP 14 HA ASP 14 -5.311 12.538 -15.479 327 1HB ASP 14 2HB ASP 14 -2.860 12.480 -16.827 328 2HB ASP 14 1HB ASP 14 -3.013 10.867 -16.127 329 H GLY 15 H GLY 15 -2.858 12.522 -13.099 330 1HA GLY 15 2HA GLY 15 -2.794 11.334 -11.073 331 2HA GLY 15 1HA GLY 15 -4.276 10.520 -11.553 332 H CLH 16 H CLH 16 -0.770 10.524 -12.404 333 HA CLH 16 HA CLH 16 -0.915 7.536 -12.496 334 1HB CLH 16 1HB CLH 16 0.744 8.197 -14.605 335 2HB CLH 16 2HB CLH 16 -0.491 9.455 -14.684 336 1HG CLH 16 1HG CLH 16 -2.249 7.838 -14.853 337 2HG CLH 16 2HG CLH 16 -1.165 6.515 -14.421 338 1HD CLH 16 1HD CLH 16 -0.878 6.202 -16.642 339 2HD CLH 16 2HD CLH 16 0.063 7.695 -16.629 340 1HE CLH 16 1HE CLH 16 -1.678 7.916 -18.324 341 2HE CLH 16 2HE CLH 16 -2.132 8.950 -16.954 342 HNZ CLH 16 HNZ CLH 16 -3.702 7.185 -16.246 343 1HI CLH 16 1HI CLH 16 -5.711 6.177 -17.632 344 2HI CLH 16 2HI CLH 16 -5.072 4.848 -18.602 345 HNJ CLH 16 HNJ CLH 16 -4.094 3.917 -16.534 346 HL CLH 16 HL CLH 16 -4.311 4.450 -13.699 347 2HN ABA 17 HN ABA 17 0.239 8.103 -10.342 348 HA ABA 17 HA ABA 17 3.133 7.940 -10.753 349 1HB ABA 17 1HB ABA 17 2.681 10.009 -8.817 350 2HB ABA 17 2HB ABA 17 1.880 10.427 -10.331 351 1HG ABA 17 1HG ABA 17 4.790 9.999 -9.774 352 2HG ABA 17 2HG ABA 17 4.010 11.247 -10.745 353 3HG ABA 17 3HG ABA 17 4.174 9.610 -11.380 354 H GLN 18 H GLN 18 4.176 8.001 -8.358 355 HA GLN 18 HA GLN 18 4.320 6.775 -6.338 356 1HB GLN 18 2HB GLN 18 2.157 8.488 -6.302 357 2HB GLN 18 1HB GLN 18 1.410 6.946 -5.883 358 1HG GLN 18 2HG GLN 18 3.341 6.666 -4.202 359 2HG GLN 18 1HG GLN 18 3.649 8.385 -4.456 360 1HE2 GLN 18 1HE2 GLN 18 1.692 9.865 -4.070 361 2HE2 GLN 18 2HE2 GLN 18 0.589 9.416 -2.862 362 H THR 19 H THR 19 4.511 4.955 -8.147 363 HA THR 19 HA THR 19 2.222 3.049 -7.985 364 HB THR 19 HB THR 19 4.671 3.289 -9.754 365 HG1 THR 19 HG1 THR 19 2.935 4.738 -10.129 366 1HG2 THR 19 1HG2 THR 19 4.079 0.917 -9.370 367 2HG2 THR 19 2HG2 THR 19 3.740 1.410 -11.030 368 3HG2 THR 19 3HG2 THR 19 2.422 1.260 -9.867 369 H PHE 20 H PHE 20 2.512 0.980 -7.097 370 HA PHE 20 HA PHE 20 5.038 0.574 -5.554 371 1HB PHE 20 2HB PHE 20 2.217 -0.518 -5.382 372 2HB PHE 20 1HB PHE 20 3.536 -1.129 -4.385 373 HD1 PHE 20 HD1 PHE 20 1.527 -0.200 -2.750 374 HD2 PHE 20 HD2 PHE 20 4.342 2.202 -4.934 375 HE1 PHE 20 HE1 PHE 20 1.180 1.662 -1.152 376 HE2 PHE 20 HE2 PHE 20 3.992 4.064 -3.336 377 HZ PHE 20 HZ PHE 20 2.412 3.794 -1.444 378 H VAL 21 H VAL 21 6.478 -0.885 -6.388 379 HA VAL 21 HA VAL 21 5.636 -2.695 -8.571 380 HB VAL 21 HB VAL 21 8.325 -2.223 -7.244 381 1HG1 VAL 21 1HG1 VAL 21 8.782 -2.880 -9.861 382 2HG1 VAL 21 2HG1 VAL 21 7.363 -3.865 -9.505 383 3HG1 VAL 21 3HG1 VAL 21 8.823 -4.037 -8.531 384 1HG2 VAL 21 1HG2 VAL 21 7.676 -0.112 -8.091 385 2HG2 VAL 21 2HG2 VAL 21 6.869 -0.824 -9.489 386 3HG2 VAL 21 3HG2 VAL 21 8.631 -0.812 -9.399 387 H TYR 22 H TYR 22 5.110 -4.809 -8.187 388 HA TYR 22 HA TYR 22 6.463 -6.401 -6.146 389 1HB TYR 22 2HB TYR 22 4.550 -4.798 -5.161 390 2HB TYR 22 1HB TYR 22 3.523 -6.133 -5.687 391 HD1 TYR 22 HD1 TYR 22 5.850 -4.969 -3.189 392 HD2 TYR 22 HD2 TYR 22 4.098 -8.495 -4.906 393 HE1 TYR 22 HE1 TYR 22 6.519 -6.275 -1.190 394 HE2 TYR 22 HE2 TYR 22 4.767 -9.801 -2.906 395 HH TYR 22 HH TYR 22 5.260 -9.133 -0.356 396 H GLY 23 H GLY 23 3.482 -6.144 -8.114 397 1HA GLY 23 2HA GLY 23 2.965 -8.905 -8.410 398 2HA GLY 23 1HA GLY 23 2.518 -7.684 -9.603 399 H GLY 24 H GLY 24 4.436 -6.916 -10.999 400 1HA GLY 24 2HA GLY 24 6.623 -7.485 -11.970 401 2HA GLY 24 1HA GLY 24 6.344 -9.160 -11.492 402 H CYS 25 H CYS 25 5.985 -6.881 -14.011 403 HA CYS 25 HA CYS 25 4.187 -8.753 -15.516 404 1HB CYS 25 2HB CYS 25 4.626 -5.775 -15.475 405 2HB CYS 25 1HB CYS 25 3.946 -6.540 -16.912 406 1HN NH2 26 1H CYS 25 4.987 -9.564 -17.520 407 2HN NH2 26 2H CYS 25 6.512 -9.180 -18.157 Start of MODEL 7 1 1HA MPT 1 1HA MPT 1 -2.203 -15.670 -16.282 2 2HA MPT 1 2HA MPT 1 -0.948 -14.778 -15.409 3 1HB MPT 1 1HB MPT 1 -2.765 -16.662 -14.378 4 2HB MPT 1 2HB MPT 1 -3.397 -15.104 -13.846 5 H LYS 2 H LYS 2 -4.531 -14.546 -15.537 6 HA LYS 2 HA LYS 2 -4.192 -11.646 -16.232 7 1HB LYS 2 2HB LYS 2 -6.111 -13.819 -17.026 8 2HB LYS 2 1HB LYS 2 -6.644 -12.139 -17.085 9 1HG LYS 2 2HG LYS 2 -5.620 -11.949 -19.080 10 2HG LYS 2 1HG LYS 2 -4.078 -12.163 -18.251 11 1HD LYS 2 2HD LYS 2 -3.816 -14.221 -19.128 12 2HD LYS 2 1HD LYS 2 -5.421 -14.711 -18.587 13 1HE LYS 2 2HE LYS 2 -6.458 -13.834 -20.574 14 2HE LYS 2 1HE LYS 2 -4.960 -13.018 -21.064 15 1HZ LYS 2 1HZ LYS 2 -5.173 -15.948 -20.634 16 2HZ LYS 2 2HZ LYS 2 -3.862 -15.099 -21.301 17 3HZ LYS 2 3HZ LYS 2 -5.326 -15.216 -22.157 18 H ALA 3 H ALA 3 -4.045 -12.228 -13.541 19 HA ALA 3 HA ALA 3 -6.797 -11.734 -12.465 20 1HB ALA 3 1HB ALA 3 -5.808 -12.576 -10.361 21 2HB ALA 3 2HB ALA 3 -4.232 -12.682 -11.144 22 3HB ALA 3 3HB ALA 3 -5.551 -13.726 -11.673 23 H CLG 4 H CLG 4 -5.570 -9.518 -13.648 24 HA CLG 4 HA CLG 4 -4.297 -7.973 -11.442 25 1HB CLG 4 1HB CLG 4 -4.754 -7.407 -14.390 26 2HB CLG 4 2HB CLG 4 -3.265 -8.031 -13.681 27 1HG CLG 4 1HG CLG 4 -2.634 -5.982 -12.925 28 2HG CLG 4 2HG CLG 4 -4.268 -5.570 -12.408 29 1HD CLG 4 1HD CLG 4 -4.880 -4.803 -14.547 30 2HD CLG 4 2HD CLG 4 -3.574 -5.687 -15.338 31 1HE CLG 4 1HE CLG 4 -1.946 -4.163 -14.105 32 2HE CLG 4 2HE CLG 4 -3.350 -3.189 -13.625 33 HNZ CLG 4 HNZ CLG 4 -3.841 -3.089 -16.157 34 1HI CLG 4 1HI CLG 4 -1.155 -2.701 -18.325 35 2HI CLG 4 2HI CLG 4 -2.908 -2.600 -18.165 36 HNJ CLG 4 HNJ CLG 4 -2.679 -0.302 -17.663 37 1HL CLG 4 1HL CLG 4 -1.066 1.682 -18.208 38 2HL CLG 4 2HL CLG 4 -1.287 1.553 -16.465 39 H ILE 5 H ILE 5 -6.800 -8.298 -10.625 40 HA ILE 5 HA ILE 5 -8.968 -6.865 -11.608 41 HB ILE 5 HB ILE 5 -7.971 -7.042 -8.745 42 1HG1 ILE 5 2HG1 ILE 5 -10.059 -8.890 -9.695 43 2HG1 ILE 5 1HG1 ILE 5 -8.497 -9.115 -10.486 44 1HG2 ILE 5 1HG2 ILE 5 -10.649 -6.406 -9.984 45 2HG2 ILE 5 2HG2 ILE 5 -9.776 -5.512 -8.740 46 3HG2 ILE 5 3HG2 ILE 5 -10.528 -7.060 -8.351 47 1HD1 ILE 5 1HD1 ILE 5 -8.800 -8.909 -7.482 48 2HD1 ILE 5 2HD1 ILE 5 -7.381 -9.435 -8.387 49 3HD1 ILE 5 3HD1 ILE 5 -8.826 -10.446 -8.344 50 H ILE 6 H ILE 6 -9.799 -4.698 -10.596 51 HA ILE 6 HA ILE 6 -7.594 -2.726 -10.208 52 HB ILE 6 HB ILE 6 -9.734 -2.752 -12.349 53 1HG1 ILE 6 2HG1 ILE 6 -7.479 -3.882 -12.694 54 2HG1 ILE 6 1HG1 ILE 6 -7.873 -2.621 -13.864 55 1HG2 ILE 6 1HG2 ILE 6 -7.996 -0.462 -11.389 56 2HG2 ILE 6 2HG2 ILE 6 -9.758 -0.521 -11.413 57 3HG2 ILE 6 3HG2 ILE 6 -8.858 -0.461 -12.928 58 1HD1 ILE 6 1HD1 ILE 6 -6.380 -1.877 -11.371 59 2HD1 ILE 6 2HD1 ILE 6 -6.348 -1.113 -12.960 60 3HD1 ILE 6 3HD1 ILE 6 -5.506 -2.641 -12.699 61 H ARG 7 H ARG 7 -8.150 -1.749 -8.297 62 HA ARG 7 HA ARG 7 -11.026 -0.988 -7.895 63 1HB ARG 7 2HB ARG 7 -9.031 -1.959 -5.822 64 2HB ARG 7 1HB ARG 7 -10.738 -1.609 -5.547 65 1HG ARG 7 2HG ARG 7 -11.315 -3.674 -6.223 66 2HG ARG 7 1HG ARG 7 -10.478 -3.440 -7.756 67 1HD ARG 7 2HD ARG 7 -9.466 -5.346 -6.614 68 2HD ARG 7 1HD ARG 7 -8.312 -3.999 -6.558 69 HE ARG 7 HE ARG 7 -10.155 -4.661 -4.290 70 1HH1 ARG 7 1HH1 ARG 7 -7.210 -5.534 -4.390 71 2HH1 ARG 7 2HH1 ARG 7 -6.480 -4.313 -3.402 72 1HH2 ARG 7 1HH2 ARG 7 -9.217 -2.191 -3.538 73 2HH2 ARG 7 2HH2 ARG 7 -7.616 -2.420 -2.920 74 H TYR 8 H TYR 8 -11.002 1.234 -8.069 75 HA TYR 8 HA TYR 8 -8.887 2.715 -6.542 76 1HB TYR 8 2HB TYR 8 -8.814 4.298 -8.410 77 2HB TYR 8 1HB TYR 8 -8.527 2.667 -9.018 78 HD1 TYR 8 HD1 TYR 8 -10.264 1.459 -10.274 79 HD2 TYR 8 HD2 TYR 8 -10.875 5.486 -8.910 80 HE1 TYR 8 HE1 TYR 8 -12.214 1.678 -11.791 81 HE2 TYR 8 HE2 TYR 8 -12.824 5.705 -10.427 82 HH TYR 8 HH TYR 8 -13.609 3.213 -12.779 83 H PHE 9 H PHE 9 -9.678 5.140 -6.347 84 HA PHE 9 HA PHE 9 -12.634 5.327 -6.035 85 1HB PHE 9 2HB PHE 9 -10.677 5.979 -3.815 86 2HB PHE 9 1HB PHE 9 -12.435 5.882 -3.702 87 HD1 PHE 9 HD1 PHE 9 -9.360 4.080 -3.379 88 HD2 PHE 9 HD2 PHE 9 -13.536 3.602 -4.263 89 HE1 PHE 9 HE1 PHE 9 -9.195 1.663 -2.850 90 HE2 PHE 9 HE2 PHE 9 -13.371 1.186 -3.734 91 HZ PHE 9 HZ PHE 9 -11.201 0.215 -3.027 92 H TYR 10 H TYR 10 -12.481 6.931 -7.746 93 HA TYR 10 HA TYR 10 -10.790 9.085 -8.071 94 1HB TYR 10 2HB TYR 10 -12.906 8.381 -9.336 95 2HB TYR 10 1HB TYR 10 -13.808 9.319 -8.145 96 HD1 TYR 10 HD1 TYR 10 -11.448 9.469 -10.960 97 HD2 TYR 10 HD2 TYR 10 -13.589 11.758 -8.022 98 HE1 TYR 10 HE1 TYR 10 -10.943 11.550 -12.212 99 HE2 TYR 10 HE2 TYR 10 -13.084 13.838 -9.274 100 HH TYR 10 HH TYR 10 -11.073 14.498 -11.005 101 H ASN 11 H ASN 11 -9.965 10.251 -6.340 102 HA ASN 11 HA ASN 11 -11.878 11.272 -4.279 103 1HB ASN 11 2HB ASN 11 -9.313 10.068 -4.235 104 2HB ASN 11 1HB ASN 11 -9.079 11.747 -3.747 105 1HD2 ASN 11 1HD2 ASN 11 -8.596 10.387 -1.609 106 2HD2 ASN 11 2HD2 ASN 11 -9.925 10.168 -0.577 107 H ALA 12 H ALA 12 -12.674 13.146 -5.353 108 HA ALA 12 HA ALA 12 -10.926 15.024 -6.725 109 1HB ALA 12 1HB ALA 12 -13.466 14.509 -6.972 110 2HB ALA 12 2HB ALA 12 -12.949 16.191 -7.098 111 3HB ALA 12 3HB ALA 12 -13.666 15.599 -5.599 112 H LYS 13 H LYS 13 -12.066 14.627 -3.429 113 HA LYS 13 HA LYS 13 -11.779 17.196 -2.344 114 1HB LYS 13 2HB LYS 13 -11.026 14.461 -1.261 115 2HB LYS 13 1HB LYS 13 -11.159 15.907 -0.261 116 1HG LYS 13 2HG LYS 13 -13.409 14.880 -2.009 117 2HG LYS 13 1HG LYS 13 -13.240 14.470 -0.301 118 1HD LYS 13 2HD LYS 13 -13.438 17.293 -1.392 119 2HD LYS 13 1HD LYS 13 -14.769 16.402 -0.653 120 1HE LYS 13 2HE LYS 13 -14.053 17.008 1.406 121 2HE LYS 13 1HE LYS 13 -12.465 16.284 1.084 122 1HZ LYS 13 1HZ LYS 13 -11.694 18.229 0.081 123 2HZ LYS 13 2HZ LYS 13 -12.540 18.794 1.442 124 3HZ LYS 13 3HZ LYS 13 -13.251 18.877 -0.099 125 H ASP 14 H ASP 14 -9.220 14.771 -1.860 126 HA ASP 14 HA ASP 14 -7.167 16.849 -1.749 127 1HB ASP 14 2HB ASP 14 -5.715 14.886 -1.338 128 2HB ASP 14 1HB ASP 14 -7.172 14.802 -0.348 129 H GLY 15 H GLY 15 -8.792 15.455 -4.292 130 1HA GLY 15 2HA GLY 15 -8.321 15.260 -6.585 131 2HA GLY 15 1HA GLY 15 -7.041 16.441 -6.301 132 H LEU 16 H LEU 16 -7.656 12.994 -5.538 133 HA LEU 16 HA LEU 16 -4.959 12.346 -6.656 134 1HB LEU 16 2HB LEU 16 -5.795 12.438 -3.883 135 2HB LEU 16 1HB LEU 16 -5.338 10.792 -4.320 136 HG LEU 16 HG LEU 16 -3.363 11.988 -3.541 137 1HD1 LEU 16 1HD1 LEU 16 -1.925 11.474 -5.347 138 2HD1 LEU 16 2HD1 LEU 16 -3.143 11.903 -6.548 139 3HD1 LEU 16 3HD1 LEU 16 -3.320 10.426 -5.602 140 1HD2 LEU 16 1HD2 LEU 16 -4.521 14.230 -4.463 141 2HD2 LEU 16 2HD2 LEU 16 -3.459 13.896 -5.831 142 3HD2 LEU 16 3HD2 LEU 16 -2.778 14.112 -4.219 143 2HN ABA 17 HN ABA 17 -5.682 10.999 -8.322 144 HA ABA 17 HA ABA 17 -7.994 9.287 -8.153 145 1HB ABA 17 1HB ABA 17 -5.663 8.734 -9.957 146 2HB ABA 17 2HB ABA 17 -6.520 10.265 -10.138 147 1HG ABA 17 1HG ABA 17 -7.493 8.554 -11.616 148 2HG ABA 17 2HG ABA 17 -8.653 9.022 -10.373 149 3HG ABA 17 3HG ABA 17 -7.772 7.502 -10.229 150 H GLN 18 H GLN 18 -6.952 8.597 -5.834 151 HA GLN 18 HA GLN 18 -4.870 6.701 -5.650 152 1HB GLN 18 2HB GLN 18 -6.326 7.919 -3.880 153 2HB GLN 18 1HB GLN 18 -7.441 6.565 -4.073 154 1HG GLN 18 2HG GLN 18 -5.214 5.142 -3.769 155 2HG GLN 18 1HG GLN 18 -4.678 6.598 -2.929 156 1HE2 GLN 18 1HE2 GLN 18 -7.478 4.324 -3.003 157 2HE2 GLN 18 2HE2 GLN 18 -7.816 4.456 -1.345 158 H THR 19 H THR 19 -4.838 5.056 -7.207 159 HA THR 19 HA THR 19 -7.262 3.292 -7.350 160 HB THR 19 HB THR 19 -5.094 4.022 -9.337 161 HG1 THR 19 HG1 THR 19 -7.200 5.218 -8.877 162 1HG2 THR 19 1HG2 THR 19 -6.985 2.423 -10.628 163 2HG2 THR 19 2HG2 THR 19 -6.658 1.579 -9.115 164 3HG2 THR 19 3HG2 THR 19 -5.334 1.962 -10.216 165 H PHE 20 H PHE 20 -6.552 1.961 -5.564 166 HA PHE 20 HA PHE 20 -3.892 0.685 -5.711 167 1HB PHE 20 2HB PHE 20 -5.432 1.555 -3.683 168 2HB PHE 20 1HB PHE 20 -5.998 -0.114 -3.755 169 HD1 PHE 20 HD1 PHE 20 -3.283 -1.182 -4.884 170 HD2 PHE 20 HD2 PHE 20 -4.322 1.281 -1.522 171 HE1 PHE 20 HE1 PHE 20 -1.233 -1.926 -3.705 172 HE2 PHE 20 HE2 PHE 20 -2.272 0.536 -0.342 173 HZ PHE 20 HZ PHE 20 -0.726 -1.067 -1.434 174 H VAL 21 H VAL 21 -3.604 -1.223 -6.787 175 HA VAL 21 HA VAL 21 -5.997 -2.988 -7.208 176 HB VAL 21 HB VAL 21 -5.368 -2.024 -9.294 177 1HG1 VAL 21 1HG1 VAL 21 -3.319 -0.969 -8.939 178 2HG1 VAL 21 2HG1 VAL 21 -2.840 -2.318 -9.968 179 3HG1 VAL 21 3HG1 VAL 21 -2.588 -2.405 -8.224 180 1HG2 VAL 21 1HG2 VAL 21 -4.817 -3.919 -10.567 181 2HG2 VAL 21 2HG2 VAL 21 -5.452 -4.631 -9.084 182 3HG2 VAL 21 3HG2 VAL 21 -3.710 -4.537 -9.342 183 H TYR 22 H TYR 22 -5.484 -5.310 -7.294 184 HA TYR 22 HA TYR 22 -3.034 -6.002 -5.707 185 1HB TYR 22 2HB TYR 22 -5.086 -6.430 -4.511 186 2HB TYR 22 1HB TYR 22 -5.809 -7.207 -5.919 187 HD1 TYR 22 HD1 TYR 22 -6.055 -9.494 -5.563 188 HD2 TYR 22 HD2 TYR 22 -2.478 -7.534 -4.212 189 HE1 TYR 22 HE1 TYR 22 -5.133 -11.677 -4.832 190 HE2 TYR 22 HE2 TYR 22 -1.558 -9.718 -3.482 191 HH TYR 22 HH TYR 22 -1.933 -12.186 -4.150 192 H GLY 23 H GLY 23 -1.514 -6.846 -7.101 193 1HA GLY 23 2HA GLY 23 -2.081 -7.932 -9.675 194 2HA GLY 23 1HA GLY 23 -0.575 -8.177 -8.789 195 H GLY 24 H GLY 24 -0.182 -10.203 -8.013 196 1HA GLY 24 2HA GLY 24 -1.185 -12.159 -6.758 197 2HA GLY 24 1HA GLY 24 -2.492 -12.106 -7.942 198 H CYS 25 H CYS 25 -0.113 -11.338 -9.882 199 HA CYS 25 HA CYS 25 0.716 -14.181 -10.385 200 1HB CYS 25 2HB CYS 25 -0.036 -11.906 -12.243 201 2HB CYS 25 1HB CYS 25 0.695 -13.409 -12.806 202 1HN NH2 26 1H CYS 25 2.940 -14.323 -9.943 203 2HN NH2 26 2H CYS 25 4.088 -13.131 -10.324 204 1HA MPT 1 1HA MPT 1 9.790 -12.502 -8.780 205 2HA MPT 1 2HA MPT 1 9.031 -14.086 -9.002 206 1HB MPT 1 1HB MPT 1 7.182 -12.908 -10.222 207 2HB MPT 1 2HB MPT 1 8.748 -12.688 -11.003 208 H LYS 2 H LYS 2 6.687 -14.179 -8.199 209 HA LYS 2 HA LYS 2 5.167 -13.977 -6.399 210 1HB LYS 2 2HB LYS 2 7.932 -13.658 -5.396 211 2HB LYS 2 1HB LYS 2 6.678 -13.078 -4.300 212 1HG LYS 2 2HG LYS 2 7.073 -15.415 -3.809 213 2HG LYS 2 1HG LYS 2 5.500 -15.282 -4.595 214 1HD LYS 2 2HD LYS 2 6.790 -17.144 -5.558 215 2HD LYS 2 1HD LYS 2 6.538 -15.878 -6.760 216 1HE LYS 2 2HE LYS 2 8.795 -15.010 -6.386 217 2HE LYS 2 1HE LYS 2 9.056 -16.191 -5.086 218 1HZ LYS 2 1HZ LYS 2 9.903 -17.303 -6.903 219 2HZ LYS 2 2HZ LYS 2 8.757 -16.656 -7.979 220 3HZ LYS 2 3HZ LYS 2 8.305 -17.873 -6.883 221 H ALA 3 H ALA 3 4.551 -11.965 -7.900 222 HA ALA 3 HA ALA 3 5.212 -9.302 -7.156 223 1HB ALA 3 1HB ALA 3 3.766 -8.901 -8.858 224 2HB ALA 3 2HB ALA 3 2.446 -9.710 -8.014 225 3HB ALA 3 3HB ALA 3 3.585 -10.651 -8.978 226 H ARG 4 H ARG 4 2.874 -7.992 -6.496 227 HA ARG 4 HA ARG 4 1.706 -9.231 -4.080 228 1HB ARG 4 2HB ARG 4 4.033 -7.578 -4.037 229 2HB ARG 4 1HB ARG 4 2.711 -6.648 -3.331 230 1HG ARG 4 2HG ARG 4 3.619 -9.419 -2.497 231 2HG ARG 4 1HG ARG 4 3.790 -7.931 -1.567 232 1HD ARG 4 2HD ARG 4 1.266 -7.724 -1.582 233 2HD ARG 4 1HD ARG 4 1.207 -9.354 -2.283 234 HE ARG 4 HE ARG 4 2.735 -8.903 0.240 235 1HH1 ARG 4 1HH1 ARG 4 -0.290 -9.139 0.514 236 2HH1 ARG 4 2HH1 ARG 4 -0.468 -10.835 0.820 237 1HH2 ARG 4 1HH2 ARG 4 2.727 -11.635 -0.262 238 2HH2 ARG 4 2HH2 ARG 4 1.241 -12.248 0.380 239 H ILE 5 H ILE 5 0.882 -6.624 -3.027 240 HA ILE 5 HA ILE 5 -1.391 -6.130 -4.815 241 HB ILE 5 HB ILE 5 -0.543 -4.740 -2.253 242 1HG1 ILE 5 2HG1 ILE 5 -2.514 -7.005 -2.353 243 2HG1 ILE 5 1HG1 ILE 5 -0.789 -7.374 -2.311 244 1HG2 ILE 5 1HG2 ILE 5 -2.399 -3.776 -3.738 245 2HG2 ILE 5 2HG2 ILE 5 -2.829 -4.103 -2.059 246 3HG2 ILE 5 3HG2 ILE 5 -3.326 -5.219 -3.331 247 1HD1 ILE 5 1HD1 ILE 5 -2.407 -5.832 -0.277 248 2HD1 ILE 5 2HD1 ILE 5 -0.646 -5.781 -0.314 249 3HD1 ILE 5 3HD1 ILE 5 -1.477 -7.309 -0.030 250 H ILE 6 H ILE 6 -0.241 -5.183 -6.669 251 HA ILE 6 HA ILE 6 1.549 -3.006 -6.619 252 HB ILE 6 HB ILE 6 1.126 -4.163 -8.655 253 1HG1 ILE 6 2HG1 ILE 6 -0.481 -1.672 -9.164 254 2HG1 ILE 6 1HG1 ILE 6 1.210 -1.534 -8.682 255 1HG2 ILE 6 1HG2 ILE 6 -1.505 -3.584 -9.415 256 2HG2 ILE 6 2HG2 ILE 6 -1.623 -4.019 -7.710 257 3HG2 ILE 6 3HG2 ILE 6 -0.896 -5.143 -8.859 258 1HD1 ILE 6 1HD1 ILE 6 0.039 -2.614 -11.201 259 2HD1 ILE 6 2HD1 ILE 6 1.486 -3.411 -10.581 260 3HD1 ILE 6 3HD1 ILE 6 1.521 -1.689 -10.956 261 H ARG 7 H ARG 7 1.292 -0.843 -6.151 262 HA ARG 7 HA ARG 7 -1.449 0.099 -5.438 263 1HB ARG 7 2HB ARG 7 0.242 0.272 -3.712 264 2HB ARG 7 1HB ARG 7 1.362 1.057 -4.826 265 1HG ARG 7 2HG ARG 7 0.526 3.047 -4.196 266 2HG ARG 7 1HG ARG 7 -1.023 2.578 -4.899 267 1HD ARG 7 2HD ARG 7 -1.904 1.903 -2.847 268 2HD ARG 7 1HD ARG 7 -0.303 1.574 -2.155 269 HE ARG 7 HE ARG 7 0.060 4.076 -2.180 270 1HH1 ARG 7 1HH2 ARG 7 -2.980 3.517 -3.438 271 2HH1 ARG 7 2HH2 ARG 7 -3.824 4.583 -2.364 272 1HH2 ARG 7 1HH1 ARG 7 -1.076 5.129 -0.320 273 2HH2 ARG 7 2HH1 ARG 7 -2.746 5.495 -0.599 274 H TYR 8 H TYR 8 -2.276 0.734 -7.487 275 HA TYR 8 HA TYR 8 -0.698 2.372 -9.330 276 1HB TYR 8 2HB TYR 8 -3.153 0.860 -9.257 277 2HB TYR 8 1HB TYR 8 -3.475 2.466 -9.909 278 HD1 TYR 8 HD1 TYR 8 -1.513 -0.639 -10.346 279 HD2 TYR 8 HD2 TYR 8 -2.518 3.192 -12.010 280 HE1 TYR 8 HE1 TYR 8 -0.482 -1.303 -12.502 281 HE2 TYR 8 HE2 TYR 8 -1.488 2.526 -14.165 282 HH TYR 8 HH TYR 8 -0.851 -0.534 -15.029 283 H PHE 9 H PHE 9 -0.412 3.893 -7.224 284 HA PHE 9 HA PHE 9 -2.682 5.756 -6.860 285 1HB PHE 9 2HB PHE 9 -1.330 4.984 -4.957 286 2HB PHE 9 1HB PHE 9 0.130 5.611 -5.722 287 HD1 PHE 9 HD1 PHE 9 0.842 7.773 -5.211 288 HD2 PHE 9 HD2 PHE 9 -3.288 6.731 -4.654 289 HE1 PHE 9 HE1 PHE 9 0.414 10.002 -4.212 290 HE2 PHE 9 HE2 PHE 9 -3.715 8.961 -3.655 291 HZ PHE 9 HZ PHE 9 -1.864 10.596 -3.434 292 H TYR 10 H TYR 10 -2.902 7.431 -8.294 293 HA TYR 10 HA TYR 10 -0.403 8.608 -9.472 294 1HB TYR 10 2HB TYR 10 -1.563 7.387 -11.168 295 2HB TYR 10 1HB TYR 10 -3.128 8.004 -10.640 296 HD1 TYR 10 HD1 TYR 10 -3.964 9.272 -12.436 297 HD2 TYR 10 HD2 TYR 10 0.109 9.800 -11.180 298 HE1 TYR 10 HE1 TYR 10 -3.734 11.193 -13.988 299 HE2 TYR 10 HE2 TYR 10 0.340 11.720 -12.733 300 HH TYR 10 HH TYR 10 -0.919 13.262 -13.946 301 H ASN 11 H ASN 11 -0.349 10.878 -9.612 302 HA ASN 11 HA ASN 11 -2.611 12.341 -8.280 303 1HB ASN 11 2HB ASN 11 -0.235 11.977 -7.181 304 2HB ASN 11 1HB ASN 11 0.254 13.264 -8.282 305 1HD2 ASN 11 1HD2 ASN 11 -0.054 13.317 -5.261 306 2HD2 ASN 11 2HD2 ASN 11 -1.128 14.596 -4.956 307 H ALA 12 H ALA 12 -1.468 14.925 -8.855 308 HA ALA 12 HA ALA 12 -2.195 15.139 -11.714 309 1HB ALA 12 1HB ALA 12 -1.391 17.405 -9.908 310 2HB ALA 12 2HB ALA 12 -2.925 16.580 -9.635 311 3HB ALA 12 3HB ALA 12 -2.616 17.381 -11.176 312 H LYS 13 H LYS 13 -0.530 17.668 -11.813 313 HA LYS 13 HA LYS 13 1.539 18.245 -12.806 314 1HB LYS 13 2HB LYS 13 1.810 17.457 -10.227 315 2HB LYS 13 1HB LYS 13 2.885 16.296 -11.008 316 1HG LYS 13 2HG LYS 13 3.051 19.227 -11.681 317 2HG LYS 13 1HG LYS 13 3.878 18.584 -10.263 318 1HD LYS 13 2HD LYS 13 5.561 18.208 -11.765 319 2HD LYS 13 1HD LYS 13 4.631 16.749 -12.108 320 1HE LYS 13 2HE LYS 13 4.793 17.583 -14.267 321 2HE LYS 13 1HE LYS 13 3.344 18.469 -13.749 322 1HZ LYS 13 1HZ LYS 13 4.595 20.343 -13.194 323 2HZ LYS 13 2HZ LYS 13 5.274 19.836 -14.666 324 3HZ LYS 13 3HZ LYS 13 6.063 19.494 -13.201 325 H ASP 14 H ASP 14 0.089 15.696 -13.756 326 HA ASP 14 HA ASP 14 0.561 13.816 -15.129 327 1HB ASP 14 2HB ASP 14 1.194 16.072 -16.308 328 2HB ASP 14 1HB ASP 14 2.854 15.514 -16.095 329 H GLY 15 H GLY 15 1.577 13.166 -12.720 330 1HA GLY 15 2HA GLY 15 4.469 12.739 -12.806 331 2HA GLY 15 1HA GLY 15 3.374 12.146 -11.559 332 H CLH 16 H CLH 16 3.356 11.587 -15.088 333 HA CLH 16 HA CLH 16 2.962 9.518 -16.205 334 1HB CLH 16 1HB CLH 16 5.414 9.992 -16.007 335 2HB CLH 16 2HB CLH 16 5.056 8.269 -16.115 336 1HG CLH 16 1HG CLH 16 4.978 8.462 -13.469 337 2HG CLH 16 2HG CLH 16 5.992 9.875 -13.763 338 1HD CLH 16 1HD CLH 16 7.774 8.542 -14.102 339 2HD CLH 16 2HD CLH 16 6.924 7.714 -15.406 340 1HE CLH 16 1HE CLH 16 5.964 6.923 -12.742 341 2HE CLH 16 2HE CLH 16 7.677 6.541 -13.011 342 HNZ CLH 16 HNZ CLH 16 6.781 5.586 -15.282 343 1HI CLH 16 1HI CLH 16 5.820 3.644 -15.796 344 2HI CLH 16 2HI CLH 16 4.888 2.812 -14.550 345 HNJ CLH 16 HNJ CLH 16 3.509 5.050 -15.882 346 HL CLH 16 HL CLH 16 1.948 4.682 -17.284 347 2HN ABA 17 HN ABA 17 1.425 9.570 -13.767 348 HA ABA 17 HA ABA 17 0.253 8.059 -12.372 349 1HB ABA 17 1HB ABA 17 0.749 5.578 -13.360 350 2HB ABA 17 2HB ABA 17 1.298 6.564 -14.716 351 1HG ABA 17 1HG ABA 17 -1.062 6.087 -15.025 352 2HG ABA 17 2HG ABA 17 -0.894 7.794 -14.615 353 3HG ABA 17 3HG ABA 17 -1.430 6.642 -13.393 354 H GLN 18 H GLN 18 0.934 7.597 -10.315 355 HA GLN 18 HA GLN 18 3.711 6.621 -9.889 356 1HB GLN 18 2HB GLN 18 1.940 8.431 -8.637 357 2HB GLN 18 1HB GLN 18 2.125 7.086 -7.511 358 1HG GLN 18 2HG GLN 18 4.424 8.568 -8.821 359 2HG GLN 18 1HG GLN 18 3.857 8.844 -7.173 360 1HE2 GLN 18 1HE2 GLN 18 3.895 6.829 -5.711 361 2HE2 GLN 18 2HE2 GLN 18 5.143 5.705 -5.955 362 H THR 19 H THR 19 3.120 4.409 -10.712 363 HA THR 19 HA THR 19 1.418 2.840 -8.819 364 HB THR 19 HB THR 19 1.183 1.311 -10.663 365 HG1 THR 19 HG1 THR 19 3.080 2.832 -12.096 366 1HG2 THR 19 1HG2 THR 19 1.196 4.184 -11.619 367 2HG2 THR 19 2HG2 THR 19 -0.168 3.297 -10.938 368 3HG2 THR 19 3HG2 THR 19 0.473 2.851 -12.519 369 H PHE 20 H PHE 20 2.481 1.555 -7.363 370 HA PHE 20 HA PHE 20 5.065 0.302 -8.121 371 1HB PHE 20 2HB PHE 20 6.109 1.211 -6.050 372 2HB PHE 20 1HB PHE 20 5.626 2.493 -7.160 373 HD1 PHE 20 HD1 PHE 20 4.612 0.637 -4.096 374 HD2 PHE 20 HD2 PHE 20 3.986 4.108 -6.548 375 HE1 PHE 20 HE1 PHE 20 3.172 1.624 -2.333 376 HE2 PHE 20 HE2 PHE 20 2.547 5.095 -4.785 377 HZ PHE 20 HZ PHE 20 2.140 3.852 -2.677 378 H VAL 21 H VAL 21 5.585 -1.514 -6.732 379 HA VAL 21 HA VAL 21 3.275 -2.447 -5.057 380 HB VAL 21 HB VAL 21 3.817 -4.660 -5.834 381 1HG1 VAL 21 1HG1 VAL 21 2.824 -4.222 -7.806 382 2HG1 VAL 21 2HG1 VAL 21 4.342 -3.596 -8.451 383 3HG1 VAL 21 3HG1 VAL 21 3.230 -2.518 -7.609 384 1HG2 VAL 21 1HG2 VAL 21 5.929 -4.351 -7.649 385 2HG2 VAL 21 2HG2 VAL 21 6.012 -5.143 -6.075 386 3HG2 VAL 21 3HG2 VAL 21 6.431 -3.436 -6.227 387 H TYR 22 H TYR 22 4.302 -4.403 -3.589 388 HA TYR 22 HA TYR 22 6.899 -3.505 -2.432 389 1HB TYR 22 2HB TYR 22 5.936 -3.210 -0.268 390 2HB TYR 22 1HB TYR 22 4.828 -2.402 -1.375 391 HD1 TYR 22 HD1 TYR 22 2.911 -3.940 -2.369 392 HD2 TYR 22 HD2 TYR 22 5.077 -4.762 1.248 393 HE1 TYR 22 HE1 TYR 22 1.073 -5.418 -1.604 394 HE2 TYR 22 HE2 TYR 22 3.238 -6.240 2.014 395 HH TYR 22 HH TYR 22 0.572 -6.314 1.415 396 H GLY 23 H GLY 23 5.679 -5.943 -3.898 397 1HA GLY 23 2HA GLY 23 5.594 -8.111 -2.005 398 2HA GLY 23 1HA GLY 23 5.813 -8.285 -3.747 399 H GLY 24 H GLY 24 8.158 -7.048 -4.273 400 1HA GLY 24 2HA GLY 24 10.479 -6.900 -3.386 401 2HA GLY 24 1HA GLY 24 10.127 -8.338 -2.426 402 H CYS 25 H CYS 25 9.540 -7.592 -5.874 403 HA CYS 25 HA CYS 25 10.535 -10.263 -6.621 404 1HB CYS 25 2HB CYS 25 8.506 -9.157 -7.588 405 2HB CYS 25 1HB CYS 25 9.554 -7.926 -8.292 406 1HN NH2 26 1H CYS 25 11.264 -7.092 -8.170 407 2HN NH2 26 2H CYS 25 12.937 -7.354 -8.292 Start of MODEL 8 1 1HA MPT 1 1HA MPT 1 -4.916 -13.737 -15.988 2 2HA MPT 1 2HA MPT 1 -3.633 -13.136 -17.049 3 1HB MPT 1 1HB MPT 1 -3.586 -13.686 -14.067 4 2HB MPT 1 2HB MPT 1 -2.365 -12.673 -14.836 5 H LYS 2 H LYS 2 -6.369 -12.222 -15.305 6 HA LYS 2 HA LYS 2 -5.480 -9.411 -14.916 7 1HB LYS 2 2HB LYS 2 -6.224 -9.851 -17.315 8 2HB LYS 2 1HB LYS 2 -7.835 -10.162 -16.669 9 1HG LYS 2 2HG LYS 2 -7.473 -7.840 -15.468 10 2HG LYS 2 1HG LYS 2 -6.297 -7.589 -16.758 11 1HD LYS 2 2HD LYS 2 -8.212 -6.771 -17.779 12 2HD LYS 2 1HD LYS 2 -8.280 -8.459 -18.286 13 1HE LYS 2 2HE LYS 2 -9.514 -8.234 -15.697 14 2HE LYS 2 1HE LYS 2 -10.239 -7.041 -16.792 15 1HZ LYS 2 1HZ LYS 2 -11.214 -9.328 -16.948 16 2HZ LYS 2 2HZ LYS 2 -9.723 -9.859 -17.566 17 3HZ LYS 2 3HZ LYS 2 -10.635 -8.702 -18.414 18 H ALA 3 H ALA 3 -6.202 -11.200 -12.894 19 HA ALA 3 HA ALA 3 -9.019 -10.449 -12.203 20 1HB ALA 3 1HB ALA 3 -7.636 -12.449 -10.558 21 2HB ALA 3 2HB ALA 3 -7.681 -12.879 -12.268 22 3HB ALA 3 3HB ALA 3 -9.182 -12.568 -11.397 23 H CLG 4 H CLG 4 -7.427 -8.331 -11.781 24 HA CLG 4 HA CLG 4 -6.547 -8.466 -8.919 25 1HB CLG 4 1HB CLG 4 -4.912 -7.872 -10.748 26 2HB CLG 4 2HB CLG 4 -5.085 -6.620 -9.517 27 1HG CLG 4 1HG CLG 4 -6.277 -5.210 -10.935 28 2HG CLG 4 2HG CLG 4 -6.862 -6.540 -11.934 29 1HD CLG 4 1HD CLG 4 -5.117 -6.312 -13.343 30 2HD CLG 4 2HD CLG 4 -3.972 -6.434 -12.007 31 1HE CLG 4 1HE CLG 4 -3.573 -4.203 -12.121 32 2HE CLG 4 2HE CLG 4 -5.306 -3.857 -11.941 33 HNZ CLG 4 HNZ CLG 4 -4.635 -4.861 -14.594 34 1HI CLG 4 1HI CLG 4 -4.848 -3.604 -16.372 35 2HI CLG 4 2HI CLG 4 -5.722 -2.096 -16.091 36 HNJ CLG 4 HNJ CLG 4 -2.751 -2.307 -16.339 37 1HL CLG 4 1HL CLG 4 -1.776 0.119 -16.317 38 2HL CLG 4 2HL CLG 4 -2.081 -0.389 -17.976 39 H ILE 5 H ILE 5 -7.801 -7.369 -7.461 40 HA ILE 5 HA ILE 5 -10.236 -6.069 -8.090 41 HB ILE 5 HB ILE 5 -9.619 -6.950 -5.884 42 1HG1 ILE 5 2HG1 ILE 5 -10.043 -3.943 -5.875 43 2HG1 ILE 5 1HG1 ILE 5 -11.309 -5.169 -5.949 44 1HG2 ILE 5 1HG2 ILE 5 -7.740 -6.330 -4.745 45 2HG2 ILE 5 2HG2 ILE 5 -7.886 -4.639 -5.226 46 3HG2 ILE 5 3HG2 ILE 5 -7.184 -5.815 -6.338 47 1HD1 ILE 5 1HD1 ILE 5 -11.225 -4.586 -3.661 48 2HD1 ILE 5 2HD1 ILE 5 -9.463 -4.518 -3.655 49 3HD1 ILE 5 3HD1 ILE 5 -10.285 -6.076 -3.752 50 H ILE 6 H ILE 6 -9.699 -4.588 -9.869 51 HA ILE 6 HA ILE 6 -7.785 -2.506 -9.791 52 HB ILE 6 HB ILE 6 -9.528 -1.397 -11.349 53 1HG1 ILE 6 2HG1 ILE 6 -11.242 -3.139 -10.059 54 2HG1 ILE 6 1HG1 ILE 6 -11.587 -2.325 -11.579 55 1HG2 ILE 6 1HG2 ILE 6 -7.726 -2.586 -12.329 56 2HG2 ILE 6 2HG2 ILE 6 -9.174 -3.269 -13.068 57 3HG2 ILE 6 3HG2 ILE 6 -8.345 -4.142 -11.779 58 1HD1 ILE 6 1HD1 ILE 6 -11.169 -4.226 -12.851 59 2HD1 ILE 6 2HD1 ILE 6 -11.818 -4.956 -11.382 60 3HD1 ILE 6 3HD1 ILE 6 -10.076 -4.917 -11.652 61 H ARG 7 H ARG 7 -7.877 -1.741 -7.524 62 HA ARG 7 HA ARG 7 -10.273 -0.458 -6.483 63 1HB ARG 7 2HB ARG 7 -7.898 -1.442 -5.500 64 2HB ARG 7 1HB ARG 7 -7.633 0.300 -5.404 65 1HG ARG 7 2HG ARG 7 -9.225 0.586 -3.793 66 2HG ARG 7 1HG ARG 7 -10.293 -0.632 -4.492 67 1HD ARG 7 2HD ARG 7 -9.467 -2.271 -3.144 68 2HD ARG 7 1HD ARG 7 -7.789 -1.755 -3.415 69 HE ARG 7 HE ARG 7 -9.644 -0.368 -1.513 70 1HH1 ARG 7 1HH1 ARG 7 -7.093 -2.396 -1.338 71 2HH1 ARG 7 2HH1 ARG 7 -6.004 -1.315 -0.533 72 1HH2 ARG 7 1HH2 ARG 7 -8.006 1.476 -1.008 73 2HH2 ARG 7 2HH2 ARG 7 -6.522 0.877 -0.345 74 H TYR 8 H TYR 8 -10.701 1.004 -8.361 75 HA TYR 8 HA TYR 8 -8.772 3.239 -8.711 76 1HB TYR 8 2HB TYR 8 -11.056 2.009 -10.180 77 2HB TYR 8 1HB TYR 8 -10.775 3.730 -10.444 78 HD1 TYR 8 HD1 TYR 8 -8.867 0.502 -10.237 79 HD2 TYR 8 HD2 TYR 8 -9.231 4.370 -12.071 80 HE1 TYR 8 HE1 TYR 8 -6.978 -0.038 -11.750 81 HE2 TYR 8 HE2 TYR 8 -7.341 3.830 -13.584 82 HH TYR 8 HH TYR 8 -6.116 2.043 -14.426 83 H PHE 9 H PHE 9 -9.090 5.129 -7.624 84 HA PHE 9 HA PHE 9 -11.869 5.940 -6.892 85 1HB PHE 9 2HB PHE 9 -9.460 5.619 -5.080 86 2HB PHE 9 1HB PHE 9 -10.893 6.531 -4.610 87 HD1 PHE 9 HD1 PHE 9 -9.526 3.677 -3.737 88 HD2 PHE 9 HD2 PHE 9 -13.052 4.930 -5.845 89 HE1 PHE 9 HE1 PHE 9 -10.660 1.568 -3.093 90 HE2 PHE 9 HE2 PHE 9 -14.186 2.820 -5.201 91 HZ PHE 9 HZ PHE 9 -12.991 1.140 -3.825 92 H TYR 10 H TYR 10 -12.142 8.051 -7.529 93 HA TYR 10 HA TYR 10 -9.690 9.770 -7.753 94 1HB TYR 10 2HB TYR 10 -10.738 9.034 -9.892 95 2HB TYR 10 1HB TYR 10 -12.246 9.797 -9.387 96 HD1 TYR 10 HD1 TYR 10 -12.461 11.567 -10.962 97 HD2 TYR 10 HD2 TYR 10 -8.783 11.037 -8.809 98 HE1 TYR 10 HE1 TYR 10 -11.645 13.747 -11.819 99 HE2 TYR 10 HE2 TYR 10 -7.966 13.217 -9.665 100 HH TYR 10 HH TYR 10 -8.341 14.839 -11.212 101 H ASN 11 H ASN 11 -9.905 11.949 -7.081 102 HA ASN 11 HA ASN 11 -12.491 12.725 -5.793 103 1HB ASN 11 2HB ASN 11 -10.726 11.732 -4.223 104 2HB ASN 11 1HB ASN 11 -9.750 13.158 -4.579 105 1HD2 ASN 11 1HD2 ASN 11 -10.655 12.728 -1.931 106 2HD2 ASN 11 2HD2 ASN 11 -11.829 13.894 -1.548 107 H ALA 12 H ALA 12 -12.812 14.189 -7.593 108 HA ALA 12 HA ALA 12 -11.001 15.995 -8.726 109 1HB ALA 12 1HB ALA 12 -13.804 16.828 -8.036 110 2HB ALA 12 2HB ALA 12 -13.554 15.439 -9.094 111 3HB ALA 12 3HB ALA 12 -12.930 17.023 -9.556 112 H LYS 13 H LYS 13 -12.780 16.300 -5.663 113 HA LYS 13 HA LYS 13 -12.338 18.980 -4.999 114 1HB LYS 13 2HB LYS 13 -12.232 16.433 -3.354 115 2HB LYS 13 1HB LYS 13 -12.260 18.042 -2.630 116 1HG LYS 13 2HG LYS 13 -14.378 16.796 -4.400 117 2HG LYS 13 1HG LYS 13 -14.537 17.254 -2.704 118 1HD LYS 13 2HD LYS 13 -15.451 19.148 -3.611 119 2HD LYS 13 1HD LYS 13 -13.758 19.626 -3.734 120 1HE LYS 13 2HE LYS 13 -14.656 20.009 -5.916 121 2HE LYS 13 1HE LYS 13 -13.805 18.457 -6.055 122 1HZ LYS 13 1HZ LYS 13 -15.951 17.387 -5.384 123 2HZ LYS 13 2HZ LYS 13 -15.971 18.116 -6.919 124 3HZ LYS 13 3HZ LYS 13 -16.704 18.891 -5.598 125 H ASP 14 H ASP 14 -10.300 16.555 -3.413 126 HA ASP 14 HA ASP 14 -8.031 18.376 -3.320 127 1HB ASP 14 2HB ASP 14 -8.643 15.528 -2.550 128 2HB ASP 14 1HB ASP 14 -6.984 16.123 -2.471 129 H GLY 15 H GLY 15 -9.310 16.527 -5.795 130 1HA GLY 15 2HA GLY 15 -8.444 15.811 -7.855 131 2HA GLY 15 1HA GLY 15 -7.095 16.907 -7.547 132 H LEU 16 H LEU 16 -8.317 13.695 -6.551 133 HA LEU 16 HA LEU 16 -5.495 12.710 -6.651 134 1HB LEU 16 2HB LEU 16 -6.134 13.335 -4.330 135 2HB LEU 16 1HB LEU 16 -7.515 12.243 -4.432 136 HG LEU 16 HG LEU 16 -5.084 10.882 -5.228 137 1HD1 LEU 16 1HD1 LEU 16 -3.692 12.022 -3.798 138 2HD1 LEU 16 2HD1 LEU 16 -4.401 10.913 -2.624 139 3HD1 LEU 16 3HD1 LEU 16 -5.019 12.558 -2.767 140 1HD2 LEU 16 1HD2 LEU 16 -7.468 10.181 -4.207 141 2HD2 LEU 16 2HD2 LEU 16 -6.547 10.256 -2.705 142 3HD2 LEU 16 3HD2 LEU 16 -6.032 9.177 -4.002 143 2HN ABA 17 HN ABA 17 -5.414 10.847 -7.850 144 HA ABA 17 HA ABA 17 -7.945 9.262 -8.154 145 1HB ABA 17 1HB ABA 17 -5.654 9.768 -10.080 146 2HB ABA 17 2HB ABA 17 -7.263 10.486 -10.173 147 1HG ABA 17 1HG ABA 17 -8.162 8.611 -11.089 148 2HG ABA 17 2HG ABA 17 -7.290 7.549 -9.983 149 3HG ABA 17 3HG ABA 17 -6.493 8.155 -11.436 150 H GLN 18 H GLN 18 -7.375 7.800 -6.422 151 HA GLN 18 HA GLN 18 -4.800 6.441 -6.349 152 1HB GLN 18 2HB GLN 18 -6.020 6.733 -4.316 153 2HB GLN 18 1HB GLN 18 -7.500 6.090 -5.028 154 1HG GLN 18 2HG GLN 18 -5.123 4.298 -5.049 155 2HG GLN 18 1HG GLN 18 -5.877 4.596 -3.482 156 1HE2 GLN 18 1HE2 GLN 18 -6.653 2.318 -3.488 157 2HE2 GLN 18 2HE2 GLN 18 -7.994 1.880 -4.433 158 H THR 19 H THR 19 -4.369 4.286 -7.031 159 HA THR 19 HA THR 19 -6.523 2.815 -8.466 160 HB THR 19 HB THR 19 -3.917 3.835 -9.629 161 HG1 THR 19 HG1 THR 19 -6.571 4.031 -10.587 162 1HG2 THR 19 1HG2 THR 19 -3.901 1.773 -10.634 163 2HG2 THR 19 2HG2 THR 19 -5.065 2.558 -11.699 164 3HG2 THR 19 3HG2 THR 19 -5.629 1.523 -10.387 165 H PHE 20 H PHE 20 -5.821 1.722 -6.217 166 HA PHE 20 HA PHE 20 -3.368 0.082 -6.469 167 1HB PHE 20 2HB PHE 20 -5.522 0.214 -4.334 168 2HB PHE 20 1HB PHE 20 -3.933 -0.531 -4.162 169 HD1 PHE 20 HD1 PHE 20 -2.578 1.714 -5.930 170 HD2 PHE 20 HD2 PHE 20 -5.108 1.762 -2.458 171 HE1 PHE 20 HE1 PHE 20 -1.623 3.903 -5.262 172 HE2 PHE 20 HE2 PHE 20 -4.153 3.950 -1.791 173 HZ PHE 20 HZ PHE 20 -2.410 5.021 -3.194 174 H VAL 21 H VAL 21 -3.452 -2.246 -6.515 175 HA VAL 21 HA VAL 21 -6.125 -3.486 -6.995 176 HB VAL 21 HB VAL 21 -5.303 -4.470 -9.070 177 1HG1 VAL 21 1HG1 VAL 21 -6.164 -2.041 -8.972 178 2HG1 VAL 21 2HG1 VAL 21 -5.262 -2.514 -10.413 179 3HG1 VAL 21 3HG1 VAL 21 -4.475 -1.566 -9.151 180 1HG2 VAL 21 1HG2 VAL 21 -2.903 -3.161 -9.616 181 2HG2 VAL 21 2HG2 VAL 21 -3.076 -4.858 -9.172 182 3HG2 VAL 21 3HG2 VAL 21 -2.740 -3.652 -7.930 183 H TYR 22 H TYR 22 -5.184 -6.014 -7.730 184 HA TYR 22 HA TYR 22 -3.041 -7.010 -6.079 185 1HB TYR 22 2HB TYR 22 -4.801 -6.197 -4.419 186 2HB TYR 22 1HB TYR 22 -5.840 -7.488 -5.021 187 HD1 TYR 22 HD1 TYR 22 -3.546 -6.680 -2.522 188 HD2 TYR 22 HD2 TYR 22 -4.531 -9.858 -5.239 189 HE1 TYR 22 HE1 TYR 22 -2.390 -8.302 -1.045 190 HE2 TYR 22 HE2 TYR 22 -3.376 -11.479 -3.762 191 HH TYR 22 HH TYR 22 -2.834 -11.395 -1.010 192 H GLY 23 H GLY 23 -2.647 -8.295 -7.965 193 1HA GLY 23 2HA GLY 23 -4.769 -10.290 -8.635 194 2HA GLY 23 1HA GLY 23 -3.486 -9.791 -9.739 195 H GLY 24 H GLY 24 -3.223 -12.246 -9.816 196 1HA GLY 24 2HA GLY 24 -1.062 -12.985 -7.951 197 2HA GLY 24 1HA GLY 24 -2.488 -14.023 -7.918 198 H CYS 25 H CYS 25 -2.824 -15.467 -9.617 199 HA CYS 25 HA CYS 25 -2.069 -16.914 -11.341 200 1HB CYS 25 2HB CYS 25 -2.936 -14.601 -12.289 201 2HB CYS 25 1HB CYS 25 -1.246 -14.393 -12.749 202 1HN NH2 26 1H CYS 25 0.058 -15.998 -9.312 203 2HN NH2 26 2H CYS 25 1.536 -16.213 -10.117 204 1HA MPT 1 1HA MPT 1 -1.563 -17.171 -0.486 205 2HA MPT 1 2HA MPT 1 -0.044 -16.476 0.100 206 1HB MPT 1 1HB MPT 1 -1.888 -15.569 1.397 207 2HB MPT 1 2HB MPT 1 -2.789 -15.173 -0.068 208 H LYS 2 H LYS 2 0.826 -17.014 -2.058 209 HA LYS 2 HA LYS 2 1.493 -16.372 -4.232 210 1HB LYS 2 2HB LYS 2 -1.361 -15.366 -4.412 211 2HB LYS 2 1HB LYS 2 -0.349 -15.970 -5.726 212 1HG LYS 2 2HG LYS 2 -0.264 -18.119 -4.108 213 2HG LYS 2 1HG LYS 2 -1.838 -17.477 -3.637 214 1HD LYS 2 2HD LYS 2 -2.706 -17.665 -5.822 215 2HD LYS 2 1HD LYS 2 -1.100 -17.792 -6.543 216 1HE LYS 2 2HE LYS 2 -1.744 -19.900 -4.559 217 2HE LYS 2 1HE LYS 2 -2.680 -19.958 -6.066 218 1HZ LYS 2 1HZ LYS 2 -0.703 -19.908 -7.346 219 2HZ LYS 2 2HZ LYS 2 -0.468 -21.103 -6.162 220 3HZ LYS 2 3HZ LYS 2 0.262 -19.579 -5.991 221 H ALA 3 H ALA 3 2.870 -14.655 -3.301 222 HA ALA 3 HA ALA 3 1.978 -12.002 -2.732 223 1HB ALA 3 1HB ALA 3 4.147 -11.973 -2.107 224 2HB ALA 3 2HB ALA 3 4.634 -12.021 -3.801 225 3HB ALA 3 3HB ALA 3 4.393 -13.524 -2.910 226 H ARG 4 H ARG 4 0.943 -10.714 -4.213 227 HA ARG 4 HA ARG 4 2.216 -9.975 -6.710 228 1HB ARG 4 2HB ARG 4 1.460 -12.167 -7.390 229 2HB ARG 4 1HB ARG 4 -0.141 -11.884 -6.705 230 1HG ARG 4 2HG ARG 4 -0.411 -11.510 -9.035 231 2HG ARG 4 1HG ARG 4 -0.297 -9.896 -8.333 232 1HD ARG 4 2HD ARG 4 2.368 -10.715 -8.859 233 2HD ARG 4 1HD ARG 4 1.420 -11.099 -10.309 234 HE ARG 4 HE ARG 4 1.804 -8.402 -9.165 235 1HH1 ARG 4 1HH1 ARG 4 -0.517 -10.302 -10.776 236 2HH1 ARG 4 2HH1 ARG 4 -0.848 -9.129 -12.006 237 1HH2 ARG 4 1HH2 ARG 4 1.654 -6.958 -10.982 238 2HH2 ARG 4 2HH2 ARG 4 0.381 -7.236 -12.123 239 H ILE 5 H ILE 5 1.731 -7.885 -5.704 240 HA ILE 5 HA ILE 5 -0.981 -6.917 -6.381 241 HB ILE 5 HB ILE 5 -1.348 -7.718 -4.164 242 1HG1 ILE 5 2HG1 ILE 5 -1.931 -5.243 -4.725 243 2HG1 ILE 5 1HG1 ILE 5 -2.002 -5.756 -3.041 244 1HG2 ILE 5 1HG2 ILE 5 1.047 -8.057 -3.609 245 2HG2 ILE 5 2HG2 ILE 5 0.174 -7.258 -2.301 246 3HG2 ILE 5 3HG2 ILE 5 1.221 -6.319 -3.366 247 1HD1 ILE 5 1HD1 ILE 5 0.677 -4.874 -3.719 248 2HD1 ILE 5 2HD1 ILE 5 -0.403 -4.281 -2.460 249 3HD1 ILE 5 3HD1 ILE 5 -0.503 -3.620 -4.091 250 H ILE 6 H ILE 6 -0.880 -4.779 -7.030 251 HA ILE 6 HA ILE 6 1.665 -3.289 -6.469 252 HB ILE 6 HB ILE 6 1.326 -2.341 -8.758 253 1HG1 ILE 6 2HG1 ILE 6 -0.910 -4.390 -8.902 254 2HG1 ILE 6 1HG1 ILE 6 -1.148 -2.646 -8.794 255 1HG2 ILE 6 1HG2 ILE 6 2.286 -4.167 -9.827 256 2HG2 ILE 6 2HG2 ILE 6 1.188 -5.320 -9.067 257 3HG2 ILE 6 3HG2 ILE 6 2.518 -4.625 -8.139 258 1HD1 ILE 6 1HD1 ILE 6 -0.131 -4.283 -11.080 259 2HD1 ILE 6 2HD1 ILE 6 0.504 -2.649 -10.883 260 3HD1 ILE 6 3HD1 ILE 6 -1.229 -2.903 -11.091 261 H ARG 7 H ARG 7 1.412 -1.004 -6.133 262 HA ARG 7 HA ARG 7 -1.401 -0.167 -5.517 263 1HB ARG 7 2HB ARG 7 1.012 -0.226 -4.026 264 2HB ARG 7 1HB ARG 7 0.653 1.475 -4.331 265 1HG ARG 7 2HG ARG 7 -1.547 1.263 -3.372 266 2HG ARG 7 1HG ARG 7 -1.392 -0.492 -3.272 267 1HD ARG 7 2HD ARG 7 -0.530 -0.245 -1.192 268 2HD ARG 7 1HD ARG 7 0.851 0.612 -1.906 269 HE ARG 7 HE ARG 7 -1.698 1.987 -1.133 270 1HH1 ARG 7 1HH2 ARG 7 1.356 1.686 0.012 271 2HH1 ARG 7 2HH2 ARG 7 1.802 3.355 -0.121 272 1HH2 ARG 7 1HH1 ARG 7 -0.981 4.222 -1.999 273 2HH2 ARG 7 2HH1 ARG 7 0.478 4.790 -1.260 274 H TYR 8 H TYR 8 -1.390 0.381 -7.962 275 HA TYR 8 HA TYR 8 0.255 2.487 -9.008 276 1HB TYR 8 2HB TYR 8 -2.131 0.926 -9.706 277 2HB TYR 8 1HB TYR 8 -2.170 2.564 -10.359 278 HD1 TYR 8 HD1 TYR 8 -0.957 -0.727 -10.865 279 HD2 TYR 8 HD2 TYR 8 0.080 3.398 -11.462 280 HE1 TYR 8 HE1 TYR 8 0.663 -1.389 -12.622 281 HE2 TYR 8 HE2 TYR 8 1.701 2.736 -13.218 282 HH TYR 8 HH TYR 8 2.608 1.059 -14.343 283 H PHE 9 H PHE 9 -0.086 4.737 -9.025 284 HA PHE 9 HA PHE 9 -2.535 5.799 -7.690 285 1HB PHE 9 2HB PHE 9 -0.361 5.361 -6.227 286 2HB PHE 9 1HB PHE 9 0.163 6.880 -6.954 287 HD1 PHE 9 HD1 PHE 9 -2.578 8.157 -7.252 288 HD2 PHE 9 HD2 PHE 9 -0.724 6.093 -3.974 289 HE1 PHE 9 HE1 PHE 9 -3.997 9.418 -5.656 290 HE2 PHE 9 HE2 PHE 9 -2.142 7.352 -2.377 291 HZ PHE 9 HZ PHE 9 -3.780 9.015 -3.218 292 H TYR 10 H TYR 10 -3.123 6.653 -9.790 293 HA TYR 10 HA TYR 10 -1.485 8.109 -11.564 294 1HB TYR 10 2HB TYR 10 -3.820 7.320 -11.937 295 2HB TYR 10 1HB TYR 10 -4.397 8.570 -10.834 296 HD1 TYR 10 HD1 TYR 10 -3.918 11.008 -11.387 297 HD2 TYR 10 HD2 TYR 10 -3.331 7.820 -14.205 298 HE1 TYR 10 HE1 TYR 10 -3.912 12.651 -13.244 299 HE2 TYR 10 HE2 TYR 10 -3.325 9.462 -16.062 300 HH TYR 10 HH TYR 10 -2.726 12.432 -15.886 301 H ASN 11 H ASN 11 -3.870 9.742 -9.467 302 HA ASN 11 HA ASN 11 -3.806 11.893 -8.500 303 1HB ASN 11 2HB ASN 11 -2.153 11.981 -6.856 304 2HB ASN 11 1HB ASN 11 -2.134 10.266 -7.258 305 1HD2 ASN 11 1HD2 ASN 11 -0.121 9.423 -7.844 306 2HD2 ASN 11 2HD2 ASN 11 1.216 10.354 -8.324 307 H ALA 12 H ALA 12 -2.307 14.002 -8.447 308 HA ALA 12 HA ALA 12 -1.701 14.611 -11.278 309 1HB ALA 12 1HB ALA 12 -1.620 16.936 -10.362 310 2HB ALA 12 2HB ALA 12 -1.835 16.274 -8.742 311 3HB ALA 12 3HB ALA 12 -3.115 16.100 -9.942 312 H LYS 13 H LYS 13 0.044 16.372 -8.853 313 HA LYS 13 HA LYS 13 2.381 16.719 -8.671 314 1HB LYS 13 2HB LYS 13 1.643 13.883 -8.241 315 2HB LYS 13 1HB LYS 13 3.365 14.179 -8.478 316 1HG LYS 13 2HG LYS 13 3.373 14.671 -6.260 317 2HG LYS 13 1HG LYS 13 2.690 16.215 -6.769 318 1HD LYS 13 2HD LYS 13 1.020 15.644 -5.318 319 2HD LYS 13 1HD LYS 13 0.438 14.704 -6.694 320 1HE LYS 13 2HE LYS 13 1.080 12.691 -5.761 321 2HE LYS 13 1HE LYS 13 2.467 13.409 -4.918 322 1HZ LYS 13 1HZ LYS 13 0.759 12.931 -3.316 323 2HZ LYS 13 2HZ LYS 13 -0.403 13.763 -4.234 324 3HZ LYS 13 3HZ LYS 13 0.869 14.614 -3.498 325 H ASP 14 H ASP 14 1.388 16.609 -11.430 326 HA ASP 14 HA ASP 14 2.124 16.141 -13.648 327 1HB ASP 14 2HB ASP 14 4.446 17.060 -13.876 328 2HB ASP 14 1HB ASP 14 3.393 18.084 -12.899 329 H GLY 15 H GLY 15 2.247 13.768 -11.812 330 1HA GLY 15 2HA GLY 15 4.451 12.310 -13.218 331 2HA GLY 15 1HA GLY 15 4.047 11.985 -11.531 332 H CLH 16 H CLH 16 1.147 12.275 -12.014 333 HA CLH 16 HA CLH 16 -0.581 10.664 -12.291 334 1HB CLH 16 1HB CLH 16 -0.350 12.005 -14.395 335 2HB CLH 16 2HB CLH 16 -0.996 10.389 -14.679 336 1HG CLH 16 1HG CLH 16 1.495 9.721 -15.065 337 2HG CLH 16 2HG CLH 16 1.761 11.453 -15.268 338 1HD CLH 16 1HD CLH 16 1.296 10.274 -17.427 339 2HD CLH 16 2HD CLH 16 0.115 11.533 -17.065 340 1HE CLH 16 1HE CLH 16 -1.565 10.005 -17.060 341 2HE CLH 16 2HE CLH 16 -0.693 8.994 -15.889 342 HNZ CLH 16 HNZ CLH 16 0.071 8.969 -18.786 343 1HI CLH 16 1HI CLH 16 0.079 6.988 -19.834 344 2HI CLH 16 2HI CLH 16 1.131 6.066 -18.759 345 HNJ CLH 16 HNJ CLH 16 -1.356 5.130 -19.807 346 HL CLH 16 HL CLH 16 -2.657 3.656 -18.858 347 2HN ABA 17 HN ABA 17 1.609 9.350 -11.133 348 HA ABA 17 HA ABA 17 1.316 6.650 -12.334 349 1HB ABA 17 1HB ABA 17 4.045 6.869 -11.731 350 2HB ABA 17 2HB ABA 17 3.642 8.392 -12.526 351 1HG ABA 17 1HG ABA 17 2.369 6.802 -14.215 352 2HG ABA 17 2HG ABA 17 3.490 5.591 -13.590 353 3HG ABA 17 3HG ABA 17 4.108 7.048 -14.369 354 H GLN 18 H GLN 18 3.790 7.735 -10.049 355 HA GLN 18 HA GLN 18 4.232 6.918 -7.861 356 1HB GLN 18 2HB GLN 18 1.463 8.039 -8.038 357 2HB GLN 18 1HB GLN 18 1.940 7.267 -6.526 358 1HG GLN 18 2HG GLN 18 4.106 8.736 -6.788 359 2HG GLN 18 1HG GLN 18 3.084 9.710 -7.845 360 1HE2 GLN 18 1HE2 GLN 18 3.963 9.255 -4.597 361 2HE2 GLN 18 2HE2 GLN 18 2.666 10.076 -3.873 362 H THR 19 H THR 19 4.325 4.652 -8.997 363 HA THR 19 HA THR 19 2.057 2.908 -8.137 364 HB THR 19 HB THR 19 4.422 2.422 -9.979 365 HG1 THR 19 HG1 THR 19 1.844 3.430 -10.327 366 1HG2 THR 19 1HG2 THR 19 3.709 0.291 -10.185 367 2HG2 THR 19 2HG2 THR 19 2.024 0.793 -10.325 368 3HG2 THR 19 3HG2 THR 19 2.752 0.582 -8.732 369 H PHE 20 H PHE 20 2.375 1.393 -6.525 370 HA PHE 20 HA PHE 20 5.164 1.090 -5.452 371 1HB PHE 20 2HB PHE 20 2.588 0.810 -3.891 372 2HB PHE 20 1HB PHE 20 4.211 1.102 -3.269 373 HD1 PHE 20 HD1 PHE 20 5.104 3.210 -5.226 374 HD2 PHE 20 HD2 PHE 20 1.414 2.718 -3.081 375 HE1 PHE 20 HE1 PHE 20 4.707 5.654 -5.347 376 HE2 PHE 20 HE2 PHE 20 1.019 5.163 -3.201 377 HZ PHE 20 HZ PHE 20 2.665 6.632 -4.335 378 H VAL 21 H VAL 21 5.528 -0.847 -6.719 379 HA VAL 21 HA VAL 21 3.669 -3.129 -6.271 380 HB VAL 21 HB VAL 21 4.909 -4.117 -8.129 381 1HG1 VAL 21 1HG1 VAL 21 4.823 -1.376 -9.181 382 2HG1 VAL 21 2HG1 VAL 21 3.377 -1.821 -8.275 383 3HG1 VAL 21 3HG1 VAL 21 3.885 -2.791 -9.658 384 1HG2 VAL 21 1HG2 VAL 21 6.903 -2.141 -7.263 385 2HG2 VAL 21 2HG2 VAL 21 6.679 -2.184 -9.012 386 3HG2 VAL 21 3HG2 VAL 21 7.130 -3.652 -8.145 387 H TYR 22 H TYR 22 4.159 -4.587 -4.686 388 HA TYR 22 HA TYR 22 6.788 -5.662 -4.260 389 1HB TYR 22 2HB TYR 22 6.893 -4.566 -1.859 390 2HB TYR 22 1HB TYR 22 7.479 -3.673 -3.258 391 HD1 TYR 22 HD1 TYR 22 7.108 -1.464 -2.360 392 HD2 TYR 22 HD2 TYR 22 3.881 -4.292 -2.587 393 HE1 TYR 22 HE1 TYR 22 5.484 0.349 -1.890 394 HE2 TYR 22 HE2 TYR 22 2.260 -2.478 -2.118 395 HH TYR 22 HH TYR 22 2.588 -0.019 -0.796 396 H GLY 23 H GLY 23 4.804 -7.261 -4.540 397 1HA GLY 23 2HA GLY 23 2.905 -7.767 -2.558 398 2HA GLY 23 1HA GLY 23 3.677 -9.046 -3.496 399 H GLY 24 H GLY 24 3.161 -8.036 -0.397 400 1HA GLY 24 2HA GLY 24 5.739 -9.204 0.571 401 2HA GLY 24 1HA GLY 24 4.759 -8.068 1.500 402 H CYS 25 H CYS 25 3.935 -11.066 -0.274 403 HA CYS 25 HA CYS 25 2.493 -11.986 2.182 404 1HB CYS 25 2HB CYS 25 1.136 -11.710 0.182 405 2HB CYS 25 1HB CYS 25 2.272 -12.671 -0.766 406 1HN NH2 26 1H CYS 25 3.653 -13.551 3.345 407 2HN NH2 26 2H CYS 25 4.686 -14.713 2.663 Start of MODEL 9 1 1HA MPT 1 1HA MPT 1 -5.856 -6.678 6.132 2 2HA MPT 1 2HA MPT 1 -5.018 -8.228 5.964 3 1HB MPT 1 1HB MPT 1 -3.983 -5.552 5.790 4 2HB MPT 1 2HB MPT 1 -3.809 -6.310 4.208 5 H LYS 2 H LYS 2 -4.225 -7.953 3.257 6 HA LYS 2 HA LYS 2 -5.051 -8.011 1.029 7 1HB LYS 2 2HB LYS 2 -6.540 -9.899 0.841 8 2HB LYS 2 1HB LYS 2 -5.484 -10.205 2.218 9 1HG LYS 2 2HG LYS 2 -8.041 -8.778 2.780 10 2HG LYS 2 1HG LYS 2 -8.153 -10.486 2.367 11 1HD LYS 2 2HD LYS 2 -5.984 -9.956 4.248 12 2HD LYS 2 1HD LYS 2 -7.553 -9.457 4.883 13 1HE LYS 2 2HE LYS 2 -7.485 -12.101 3.513 14 2HE LYS 2 1HE LYS 2 -6.674 -12.001 5.089 15 1HZ LYS 2 1HZ LYS 2 -8.620 -11.065 6.064 16 2HZ LYS 2 2HZ LYS 2 -9.102 -12.467 5.236 17 3HZ LYS 2 3HZ LYS 2 -9.395 -10.935 4.561 18 H ALA 3 H ALA 3 -5.960 -5.627 2.275 19 HA ALA 3 HA ALA 3 -8.807 -5.454 1.369 20 1HB ALA 3 1HB ALA 3 -8.390 -3.191 2.775 21 2HB ALA 3 2HB ALA 3 -7.139 -4.203 3.498 22 3HB ALA 3 3HB ALA 3 -8.827 -4.711 3.555 23 H CLG 4 H CLG 4 -6.604 -5.396 -0.499 24 HA CLG 4 HA CLG 4 -7.006 -2.651 -1.571 25 1HB CLG 4 1HB CLG 4 -4.692 -2.322 -1.943 26 2HB CLG 4 2HB CLG 4 -4.323 -4.024 -1.707 27 1HG CLG 4 1HG CLG 4 -3.614 -3.031 0.304 28 2HG CLG 4 2HG CLG 4 -5.211 -3.648 0.715 29 1HD CLG 4 1HD CLG 4 -6.158 -1.531 0.765 30 2HD CLG 4 2HD CLG 4 -5.008 -0.878 -0.402 31 1HE CLG 4 1HE CLG 4 -3.387 -1.589 1.742 32 2HE CLG 4 2HE CLG 4 -4.843 -0.946 2.525 33 HNZ CLG 4 HNZ CLG 4 -4.517 0.960 0.708 34 1HI CLG 4 1HI CLG 4 -2.784 2.444 0.037 35 2HI CLG 4 2HI CLG 4 -2.737 2.982 1.717 36 HNJ CLG 4 HNJ CLG 4 -0.279 1.661 1.113 37 1HL CLG 4 1HL CLG 4 1.606 3.440 1.473 38 2HL CLG 4 2HL CLG 4 1.546 2.964 -0.224 39 H ILE 5 H ILE 5 -8.427 -4.890 -2.433 40 HA ILE 5 HA ILE 5 -7.155 -6.161 -4.726 41 HB ILE 5 HB ILE 5 -10.093 -5.873 -4.016 42 1HG1 ILE 5 2HG1 ILE 5 -8.025 -7.862 -3.025 43 2HG1 ILE 5 1HG1 ILE 5 -8.859 -6.654 -2.049 44 1HG2 ILE 5 1HG2 ILE 5 -8.495 -7.548 -5.880 45 2HG2 ILE 5 2HG2 ILE 5 -10.163 -6.991 -6.015 46 3HG2 ILE 5 3HG2 ILE 5 -9.776 -8.375 -4.994 47 1HD1 ILE 5 1HD1 ILE 5 -9.746 -9.297 -2.783 48 2HD1 ILE 5 2HD1 ILE 5 -10.875 -8.097 -3.411 49 3HD1 ILE 5 3HD1 ILE 5 -10.505 -8.143 -1.687 50 H ILE 6 H ILE 6 -8.553 -5.940 -6.913 51 HA ILE 6 HA ILE 6 -8.014 -3.602 -8.243 52 HB ILE 6 HB ILE 6 -10.586 -5.187 -8.498 53 1HG1 ILE 6 2HG1 ILE 6 -8.521 -6.042 -10.290 54 2HG1 ILE 6 1HG1 ILE 6 -7.872 -6.066 -8.650 55 1HG2 ILE 6 1HG2 ILE 6 -9.075 -3.274 -10.221 56 2HG2 ILE 6 2HG2 ILE 6 -10.816 -3.517 -10.071 57 3HG2 ILE 6 3HG2 ILE 6 -9.844 -4.650 -11.010 58 1HD1 ILE 6 1HD1 ILE 6 -10.598 -7.211 -9.203 59 2HD1 ILE 6 2HD1 ILE 6 -9.479 -7.595 -7.895 60 3HD1 ILE 6 3HD1 ILE 6 -9.155 -8.169 -9.531 61 H ARG 7 H ARG 7 -8.294 -1.710 -6.950 62 HA ARG 7 HA ARG 7 -11.152 -0.929 -6.477 63 1HB ARG 7 2HB ARG 7 -8.803 -1.089 -4.746 64 2HB ARG 7 1HB ARG 7 -9.540 0.513 -4.713 65 1HG ARG 7 2HG ARG 7 -11.122 -0.298 -3.335 66 2HG ARG 7 1HG ARG 7 -11.681 -1.328 -4.653 67 1HD ARG 7 2HD ARG 7 -9.312 -2.507 -3.536 68 2HD ARG 7 1HD ARG 7 -10.454 -2.160 -2.223 69 HE ARG 7 HE ARG 7 -10.891 -4.058 -4.402 70 1HH1 ARG 7 1HH2 ARG 7 -13.241 -2.355 -4.720 71 2HH1 ARG 7 2HH2 ARG 7 -14.355 -2.975 -3.549 72 1HH2 ARG 7 1HH1 ARG 7 -11.928 -4.685 -1.757 73 2HH2 ARG 7 2HH1 ARG 7 -13.612 -4.295 -1.872 74 H TYR 8 H TYR 8 -11.728 1.037 -7.352 75 HA TYR 8 HA TYR 8 -9.536 2.785 -8.424 76 1HB TYR 8 2HB TYR 8 -12.055 1.670 -9.599 77 2HB TYR 8 1HB TYR 8 -11.516 3.260 -10.139 78 HD1 TYR 8 HD1 TYR 8 -10.063 3.342 -11.953 79 HD2 TYR 8 HD2 TYR 8 -10.070 -0.134 -9.431 80 HE1 TYR 8 HE1 TYR 8 -8.376 2.272 -13.422 81 HE2 TYR 8 HE2 TYR 8 -8.383 -1.205 -10.899 82 HH TYR 8 HH TYR 8 -7.790 -0.494 -13.835 83 H PHE 9 H PHE 9 -9.579 4.569 -7.083 84 HA PHE 9 HA PHE 9 -12.252 5.825 -6.555 85 1HB PHE 9 2HB PHE 9 -9.825 5.498 -4.762 86 2HB PHE 9 1HB PHE 9 -11.221 6.495 -4.350 87 HD1 PHE 9 HD1 PHE 9 -12.963 5.517 -3.145 88 HD2 PHE 9 HD2 PHE 9 -10.428 3.032 -5.564 89 HE1 PHE 9 HE1 PHE 9 -14.164 3.505 -2.336 90 HE2 PHE 9 HE2 PHE 9 -11.629 1.019 -4.755 91 HZ PHE 9 HZ PHE 9 -13.497 1.255 -3.141 92 H TYR 10 H TYR 10 -11.957 7.321 -8.304 93 HA TYR 10 HA TYR 10 -9.531 9.039 -8.256 94 1HB TYR 10 2HB TYR 10 -10.118 8.177 -10.398 95 2HB TYR 10 1HB TYR 10 -11.827 8.545 -10.161 96 HD1 TYR 10 HD1 TYR 10 -8.718 10.578 -9.639 97 HD2 TYR 10 HD2 TYR 10 -12.468 10.186 -11.698 98 HE1 TYR 10 HE1 TYR 10 -8.380 12.804 -10.678 99 HE2 TYR 10 HE2 TYR 10 -12.130 12.412 -12.736 100 HH TYR 10 HH TYR 10 -10.826 14.197 -12.872 101 H ASN 11 H ASN 11 -10.145 10.228 -6.281 102 HA ASN 11 HA ASN 11 -12.626 11.683 -6.055 103 1HB ASN 11 2HB ASN 11 -11.252 12.921 -4.308 104 2HB ASN 11 1HB ASN 11 -11.271 11.167 -4.121 105 1HD2 ASN 11 1HD2 ASN 11 -9.123 12.020 -2.902 106 2HD2 ASN 11 2HD2 ASN 11 -7.714 11.959 -3.848 107 H ALA 12 H ALA 12 -13.180 13.293 -7.474 108 HA ALA 12 HA ALA 12 -11.327 14.648 -9.201 109 1HB ALA 12 1HB ALA 12 -13.560 14.506 -9.916 110 2HB ALA 12 2HB ALA 12 -13.444 16.185 -9.385 111 3HB ALA 12 3HB ALA 12 -14.192 14.978 -8.339 112 H LYS 13 H LYS 13 -12.398 15.269 -5.931 113 HA LYS 13 HA LYS 13 -12.064 18.015 -5.590 114 1HB LYS 13 2HB LYS 13 -12.265 15.733 -4.013 115 2HB LYS 13 1HB LYS 13 -10.697 16.397 -3.556 116 1HG LYS 13 2HG LYS 13 -12.489 18.590 -3.754 117 2HG LYS 13 1HG LYS 13 -13.314 17.336 -2.828 118 1HD LYS 13 2HD LYS 13 -11.778 17.394 -1.110 119 2HD LYS 13 1HD LYS 13 -10.452 17.870 -2.171 120 1HE LYS 13 2HE LYS 13 -12.716 19.802 -1.765 121 2HE LYS 13 1HE LYS 13 -11.483 19.643 -0.498 122 1HZ LYS 13 1HZ LYS 13 -10.754 21.262 -2.108 123 2HZ LYS 13 2HZ LYS 13 -10.993 20.165 -3.383 124 3HZ LYS 13 3HZ LYS 13 -9.776 19.882 -2.232 125 H ASP 14 H ASP 14 -9.413 15.779 -4.766 126 HA ASP 14 HA ASP 14 -7.432 17.850 -5.482 127 1HB ASP 14 2HB ASP 14 -5.878 16.159 -4.498 128 2HB ASP 14 1HB ASP 14 -7.223 16.523 -3.418 129 H GLY 15 H GLY 15 -9.164 15.570 -7.169 130 1HA GLY 15 2HA GLY 15 -8.861 14.560 -9.263 131 2HA GLY 15 1HA GLY 15 -7.572 15.734 -9.525 132 H LEU 16 H LEU 16 -8.163 12.740 -7.641 133 HA LEU 16 HA LEU 16 -5.397 11.873 -8.417 134 1HB LEU 16 2HB LEU 16 -5.296 12.631 -6.143 135 2HB LEU 16 1HB LEU 16 -6.809 11.821 -5.738 136 HG LEU 16 HG LEU 16 -5.643 9.631 -6.341 137 1HD1 LEU 16 1HD1 LEU 16 -3.647 11.422 -7.189 138 2HD1 LEU 16 2HD1 LEU 16 -3.516 9.666 -7.085 139 3HD1 LEU 16 3HD1 LEU 16 -3.007 10.671 -5.727 140 1HD2 LEU 16 1HD2 LEU 16 -4.720 11.340 -4.016 141 2HD2 LEU 16 2HD2 LEU 16 -4.350 9.620 -4.152 142 3HD2 LEU 16 3HD2 LEU 16 -6.027 10.155 -4.024 143 2HN ABA 17 HN ABA 17 -5.988 10.288 -9.918 144 HA ABA 17 HA ABA 17 -8.241 8.475 -9.455 145 1HB ABA 17 1HB ABA 17 -5.996 8.234 -11.469 146 2HB ABA 17 2HB ABA 17 -7.314 9.390 -11.667 147 1HG ABA 17 1HG ABA 17 -8.133 6.616 -11.010 148 2HG ABA 17 2HG ABA 17 -7.401 6.834 -12.601 149 3HG ABA 17 3HG ABA 17 -8.837 7.756 -12.156 150 H GLN 18 H GLN 18 -7.266 7.757 -7.274 151 HA GLN 18 HA GLN 18 -4.869 6.149 -7.221 152 1HB GLN 18 2HB GLN 18 -6.059 7.350 -5.322 153 2HB GLN 18 1HB GLN 18 -7.258 6.057 -5.363 154 1HG GLN 18 2HG GLN 18 -5.654 4.407 -4.760 155 2HG GLN 18 1HG GLN 18 -4.303 5.490 -5.094 156 1HE2 GLN 18 1HE2 GLN 18 -7.175 5.240 -2.925 157 2HE2 GLN 18 2HE2 GLN 18 -6.431 6.011 -1.609 158 H THR 19 H THR 19 -4.863 4.414 -8.643 159 HA THR 19 HA THR 19 -7.166 2.498 -8.486 160 HB THR 19 HB THR 19 -5.341 3.487 -10.654 161 HG1 THR 19 HG1 THR 19 -7.196 3.988 -11.515 162 1HG2 THR 19 1HG2 THR 19 -4.932 1.112 -10.805 163 2HG2 THR 19 2HG2 THR 19 -6.080 1.535 -12.072 164 3HG2 THR 19 3HG2 THR 19 -6.645 0.754 -10.596 165 H PHE 20 H PHE 20 -6.413 1.052 -6.885 166 HA PHE 20 HA PHE 20 -3.704 -0.144 -7.375 167 1HB PHE 20 2HB PHE 20 -4.054 -0.760 -4.844 168 2HB PHE 20 1HB PHE 20 -3.590 0.884 -5.272 169 HD1 PHE 20 HD1 PHE 20 -6.161 -1.232 -3.825 170 HD2 PHE 20 HD2 PHE 20 -5.350 2.680 -5.402 171 HE1 PHE 20 HE1 PHE 20 -8.206 -0.364 -2.724 172 HE2 PHE 20 HE2 PHE 20 -7.397 3.548 -4.303 173 HZ PHE 20 HZ PHE 20 -8.824 2.025 -2.962 174 H VAL 21 H VAL 21 -3.890 -2.160 -8.239 175 HA VAL 21 HA VAL 21 -6.320 -3.770 -7.538 176 HB VAL 21 HB VAL 21 -6.005 -4.804 -9.730 177 1HG1 VAL 21 1HG1 VAL 21 -6.957 -3.047 -10.794 178 2HG1 VAL 21 2HG1 VAL 21 -5.532 -2.033 -10.572 179 3HG1 VAL 21 3HG1 VAL 21 -6.725 -2.173 -9.281 180 1HG2 VAL 21 1HG2 VAL 21 -3.389 -3.346 -9.568 181 2HG2 VAL 21 2HG2 VAL 21 -4.120 -3.596 -11.153 182 3HG2 VAL 21 3HG2 VAL 21 -3.722 -4.981 -10.136 183 H TYR 22 H TYR 22 -5.410 -4.729 -5.662 184 HA TYR 22 HA TYR 22 -4.209 -7.223 -5.776 185 1HB TYR 22 2HB TYR 22 -2.351 -5.012 -6.324 186 2HB TYR 22 1HB TYR 22 -1.811 -6.050 -5.019 187 HD1 TYR 22 HD1 TYR 22 -3.958 -7.629 -7.490 188 HD2 TYR 22 HD2 TYR 22 0.116 -6.647 -6.528 189 HE1 TYR 22 HE1 TYR 22 -3.166 -9.315 -9.120 190 HE2 TYR 22 HE2 TYR 22 0.904 -8.333 -8.164 191 HH TYR 22 HH TYR 22 -0.005 -9.444 -10.241 192 H GLY 23 H GLY 23 -5.566 -7.328 -3.871 193 1HA GLY 23 2HA GLY 23 -5.201 -5.539 -1.640 194 2HA GLY 23 1HA GLY 23 -6.080 -7.062 -1.585 195 H GLY 24 H GLY 24 -4.579 -9.065 -1.660 196 1HA GLY 24 2HA GLY 24 -2.952 -10.300 -0.503 197 2HA GLY 24 1HA GLY 24 -1.852 -9.017 -1.006 198 H CYS 25 H CYS 25 -1.115 -7.591 0.538 199 HA CYS 25 HA CYS 25 -2.518 -7.017 3.006 200 1HB CYS 25 2HB CYS 25 -0.947 -9.433 2.792 201 2HB CYS 25 1HB CYS 25 -0.227 -8.361 3.991 202 1HN NH2 26 1H CYS 25 1.001 -7.570 2.819 203 2HN NH2 26 2H CYS 25 1.439 -5.930 2.811 204 1HA MPT 1 1HA MPT 1 0.626 -16.982 1.381 205 2HA MPT 1 2HA MPT 1 2.135 -17.528 0.633 206 1HB MPT 1 1HB MPT 1 3.022 -15.193 1.068 207 2HB MPT 1 2HB MPT 1 2.651 -16.101 2.533 208 H LYS 2 H LYS 2 -0.861 -16.442 -0.147 209 HA LYS 2 HA LYS 2 0.059 -15.540 -2.829 210 1HB LYS 2 2HB LYS 2 -1.567 -17.432 -2.448 211 2HB LYS 2 1HB LYS 2 -2.705 -16.251 -1.798 212 1HG LYS 2 2HG LYS 2 -3.136 -16.714 -4.195 213 2HG LYS 2 1HG LYS 2 -2.687 -15.030 -3.927 214 1HD LYS 2 2HD LYS 2 -0.420 -15.449 -4.657 215 2HD LYS 2 1HD LYS 2 -0.719 -17.185 -4.743 216 1HE LYS 2 2HE LYS 2 -1.624 -17.007 -6.817 217 2HE LYS 2 1HE LYS 2 -2.654 -15.649 -6.322 218 1HZ LYS 2 1HZ LYS 2 -1.081 -14.787 -7.857 219 2HZ LYS 2 2HZ LYS 2 0.216 -15.558 -7.076 220 3HZ LYS 2 3HZ LYS 2 -0.588 -14.266 -6.321 221 H ALA 3 H ALA 3 0.490 -13.548 -0.956 222 HA ALA 3 HA ALA 3 -1.865 -11.745 -0.961 223 1HB ALA 3 1HB ALA 3 -0.775 -11.737 1.102 224 2HB ALA 3 2HB ALA 3 -0.011 -10.354 0.317 225 3HB ALA 3 3HB ALA 3 0.821 -11.909 0.370 226 H ARG 4 H ARG 4 -2.084 -10.174 -2.508 227 HA ARG 4 HA ARG 4 0.335 -9.446 -4.130 228 1HB ARG 4 2HB ARG 4 -1.381 -9.060 -5.927 229 2HB ARG 4 1HB ARG 4 -1.335 -10.725 -5.359 230 1HG ARG 4 2HG ARG 4 -3.143 -9.129 -3.743 231 2HG ARG 4 1HG ARG 4 -3.587 -9.056 -5.449 232 1HD ARG 4 2HD ARG 4 -3.045 -11.721 -5.199 233 2HD ARG 4 1HD ARG 4 -3.684 -11.355 -3.584 234 HE ARG 4 HE ARG 4 -5.789 -11.121 -4.614 235 1HH1 ARG 4 1HH1 ARG 4 -4.520 -12.259 -7.189 236 2HH1 ARG 4 2HH1 ARG 4 -5.010 -11.058 -8.337 237 1HH2 ARG 4 1HH2 ARG 4 -5.880 -8.725 -5.924 238 2HH2 ARG 4 2HH2 ARG 4 -5.780 -9.058 -7.620 239 H ILE 5 H ILE 5 0.784 -7.250 -4.335 240 HA ILE 5 HA ILE 5 -1.242 -5.273 -3.412 241 HB ILE 5 HB ILE 5 0.197 -4.355 -1.772 242 1HG1 ILE 5 2HG1 ILE 5 2.251 -4.323 -3.151 243 2HG1 ILE 5 1HG1 ILE 5 2.570 -4.986 -1.550 244 1HG2 ILE 5 1HG2 ILE 5 0.805 -7.318 -1.647 245 2HG2 ILE 5 2HG2 ILE 5 -0.768 -6.635 -1.233 246 3HG2 ILE 5 3HG2 ILE 5 0.661 -6.193 -0.296 247 1HD1 ILE 5 1HD1 ILE 5 2.605 -6.336 -4.192 248 2HD1 ILE 5 2HD1 ILE 5 1.908 -7.259 -2.860 249 3HD1 ILE 5 3HD1 ILE 5 3.561 -6.661 -2.745 250 H ILE 6 H ILE 6 -1.352 -3.659 -4.901 251 HA ILE 6 HA ILE 6 1.114 -2.634 -6.164 252 HB ILE 6 HB ILE 6 0.094 -4.668 -7.442 253 1HG1 ILE 6 2HG1 ILE 6 0.762 -1.984 -8.667 254 2HG1 ILE 6 1HG1 ILE 6 1.818 -3.383 -8.473 255 1HG2 ILE 6 1HG2 ILE 6 -1.688 -2.603 -8.687 256 2HG2 ILE 6 2HG2 ILE 6 -2.244 -3.435 -7.238 257 3HG2 ILE 6 3HG2 ILE 6 -1.846 -4.358 -8.684 258 1HD1 ILE 6 1HD1 ILE 6 -0.399 -2.946 -10.455 259 2HD1 ILE 6 2HD1 ILE 6 0.034 -4.588 -9.981 260 3HD1 ILE 6 3HD1 ILE 6 1.238 -3.541 -10.731 261 H ARG 7 H ARG 7 0.900 -0.458 -5.965 262 HA ARG 7 HA ARG 7 -1.826 0.740 -5.875 263 1HB ARG 7 2HB ARG 7 0.954 1.622 -5.069 264 2HB ARG 7 1HB ARG 7 -0.437 2.704 -5.011 265 1HG ARG 7 2HG ARG 7 -0.677 0.013 -3.722 266 2HG ARG 7 1HG ARG 7 0.244 1.266 -2.888 267 1HD ARG 7 2HD ARG 7 -2.475 1.937 -3.992 268 2HD ARG 7 1HD ARG 7 -2.340 1.090 -2.439 269 HE ARG 7 HE ARG 7 -1.282 3.019 -1.512 270 1HH1 ARG 7 1HH2 ARG 7 -2.936 3.877 -4.220 271 2HH1 ARG 7 2HH2 ARG 7 -1.971 5.255 -4.630 272 1HH2 ARG 7 1HH1 ARG 7 0.522 4.520 -2.334 273 2HH2 ARG 7 2HH1 ARG 7 -0.012 5.620 -3.561 274 H TYR 8 H TYR 8 -2.436 1.112 -8.006 275 HA TYR 8 HA TYR 8 -0.514 2.480 -9.846 276 1HB TYR 8 2HB TYR 8 -2.287 0.356 -10.099 277 2HB TYR 8 1HB TYR 8 -3.180 1.698 -10.807 278 HD1 TYR 8 HD1 TYR 8 -1.553 3.306 -12.307 279 HD2 TYR 8 HD2 TYR 8 -1.016 -0.890 -11.575 280 HE1 TYR 8 HE1 TYR 8 -0.212 3.116 -14.382 281 HE2 TYR 8 HE2 TYR 8 0.327 -1.082 -13.646 282 HH TYR 8 HH TYR 8 0.655 0.076 -15.738 283 H PHE 9 H PHE 9 -0.709 4.717 -9.225 284 HA PHE 9 HA PHE 9 -3.442 5.864 -9.621 285 1HB PHE 9 2HB PHE 9 -3.294 7.040 -7.531 286 2HB PHE 9 1HB PHE 9 -2.884 5.358 -7.196 287 HD1 PHE 9 HD1 PHE 9 -1.850 8.730 -6.823 288 HD2 PHE 9 HD2 PHE 9 -0.332 4.754 -7.392 289 HE1 PHE 9 HE1 PHE 9 0.356 9.446 -5.938 290 HE2 PHE 9 HE2 PHE 9 1.873 5.467 -6.510 291 HZ PHE 9 HZ PHE 9 2.217 7.814 -5.782 292 H TYR 10 H TYR 10 -3.429 8.167 -10.036 293 HA TYR 10 HA TYR 10 -0.792 9.243 -10.974 294 1HB TYR 10 2HB TYR 10 -2.677 8.444 -12.637 295 2HB TYR 10 1HB TYR 10 -3.449 9.966 -12.191 296 HD1 TYR 10 HD1 TYR 10 -2.947 11.837 -13.478 297 HD2 TYR 10 HD2 TYR 10 -0.042 8.692 -13.136 298 HE1 TYR 10 HE1 TYR 10 -1.444 13.058 -15.028 299 HE2 TYR 10 HE2 TYR 10 1.462 9.913 -14.685 300 HH TYR 10 HH TYR 10 0.401 12.654 -16.496 301 H ASN 11 H ASN 11 -1.323 11.838 -11.356 302 HA ASN 11 HA ASN 11 -3.181 13.114 -9.590 303 1HB ASN 11 2HB ASN 11 -1.435 13.703 -7.812 304 2HB ASN 11 1HB ASN 11 -1.990 12.028 -7.814 305 1HD2 ASN 11 1HD2 ASN 11 0.646 14.101 -9.115 306 2HD2 ASN 11 2HD2 ASN 11 1.811 12.867 -9.134 307 H ALA 12 H ALA 12 -2.161 15.423 -8.932 308 HA ALA 12 HA ALA 12 -1.119 16.572 -11.451 309 1HB ALA 12 1HB ALA 12 -3.044 17.340 -9.747 310 2HB ALA 12 2HB ALA 12 -2.110 18.512 -10.676 311 3HB ALA 12 3HB ALA 12 -1.684 18.178 -8.998 312 H LYS 13 H LYS 13 0.134 18.837 -10.113 313 HA LYS 13 HA LYS 13 2.833 17.914 -9.929 314 1HB LYS 13 2HB LYS 13 1.428 20.428 -8.976 315 2HB LYS 13 1HB LYS 13 3.180 20.251 -9.059 316 1HG LYS 13 2HG LYS 13 2.496 19.436 -11.558 317 2HG LYS 13 1HG LYS 13 1.212 20.606 -11.246 318 1HD LYS 13 2HD LYS 13 2.779 22.095 -11.997 319 2HD LYS 13 1HD LYS 13 3.339 22.006 -10.326 320 1HE LYS 13 2HE LYS 13 4.572 19.813 -11.516 321 2HE LYS 13 1HE LYS 13 4.668 21.075 -12.762 322 1HZ LYS 13 1HZ LYS 13 5.384 22.622 -10.971 323 2HZ LYS 13 2HZ LYS 13 6.500 21.380 -11.287 324 3HZ LYS 13 3HZ LYS 13 5.496 21.297 -9.918 325 H ASP 14 H ASP 14 4.080 17.337 -8.151 326 HA ASP 14 HA ASP 14 4.623 16.831 -5.902 327 1HB ASP 14 2HB ASP 14 3.439 19.187 -5.778 328 2HB ASP 14 1HB ASP 14 2.123 18.264 -5.051 329 H GLY 15 H GLY 15 1.990 15.713 -7.565 330 1HA GLY 15 2HA GLY 15 0.748 14.243 -5.331 331 2HA GLY 15 1HA GLY 15 0.251 14.169 -7.021 332 H CLH 16 H CLH 16 3.590 13.860 -6.785 333 HA CLH 16 HA CLH 16 4.877 12.006 -7.569 334 1HB CLH 16 1HB CLH 16 4.820 12.274 -5.011 335 2HB CLH 16 2HB CLH 16 5.407 10.738 -5.637 336 1HG CLH 16 1HG CLH 16 3.732 9.597 -4.652 337 2HG CLH 16 2HG CLH 16 2.516 10.716 -5.254 338 1HD CLH 16 1HD CLH 16 2.534 10.776 -2.812 339 2HD CLH 16 2HD CLH 16 3.138 12.310 -3.438 340 1HE CLH 16 1HE CLH 16 4.555 11.403 -1.569 341 2HE CLH 16 2HE CLH 16 5.463 11.553 -3.087 342 HNZ CLH 16 HNZ CLH 16 4.189 8.975 -2.952 343 1HI CLH 16 1HI CLH 16 6.489 7.260 -3.115 344 2HI CLH 16 2HI CLH 16 6.884 7.264 -1.396 345 HNJ CLH 16 HNJ CLH 16 4.009 7.369 -2.015 346 HL CLH 16 HL CLH 16 2.961 4.995 -1.986 347 2HN ABA 17 HN ABA 17 3.147 11.592 -9.324 348 HA ABA 17 HA ABA 17 1.304 9.366 -8.934 349 1HB ABA 17 1HB ABA 17 0.933 11.236 -10.506 350 2HB ABA 17 2HB ABA 17 0.966 9.698 -11.368 351 1HG ABA 17 1HG ABA 17 2.442 11.865 -12.099 352 2HG ABA 17 2HG ABA 17 2.911 10.203 -12.453 353 3HG ABA 17 3HG ABA 17 3.592 11.031 -11.053 354 H GLN 18 H GLN 18 1.590 7.219 -9.607 355 HA GLN 18 HA GLN 18 3.633 6.230 -11.315 356 1HB GLN 18 2HB GLN 18 4.638 7.228 -8.921 357 2HB GLN 18 1HB GLN 18 4.549 5.491 -8.630 358 1HG GLN 18 2HG GLN 18 6.727 6.176 -9.633 359 2HG GLN 18 1HG GLN 18 5.837 5.049 -10.658 360 1HE2 GLN 18 1HE2 GLN 18 6.929 8.398 -10.372 361 2HE2 GLN 18 2HE2 GLN 18 6.498 8.862 -11.946 362 H THR 19 H THR 19 4.217 3.780 -10.332 363 HA THR 19 HA THR 19 1.662 2.588 -9.337 364 HB THR 19 HB THR 19 3.263 1.922 -11.822 365 HG1 THR 19 HG1 THR 19 1.655 2.892 -12.720 366 1HG2 THR 19 1HG2 THR 19 1.902 -0.068 -12.085 367 2HG2 THR 19 2HG2 THR 19 0.999 0.309 -10.618 368 3HG2 THR 19 3HG2 THR 19 2.701 -0.143 -10.515 369 H PHE 20 H PHE 20 2.292 1.548 -7.472 370 HA PHE 20 HA PHE 20 5.053 0.526 -7.197 371 1HB PHE 20 2HB PHE 20 2.723 0.396 -5.265 372 2HB PHE 20 1HB PHE 20 4.443 0.337 -4.878 373 HD1 PHE 20 HD1 PHE 20 2.223 2.349 -3.900 374 HD2 PHE 20 HD2 PHE 20 5.247 2.499 -6.947 375 HE1 PHE 20 HE1 PHE 20 2.276 4.821 -3.726 376 HE2 PHE 20 HE2 PHE 20 5.301 4.971 -6.773 377 HZ PHE 20 HZ PHE 20 3.815 6.133 -5.162 378 H VAL 21 H VAL 21 5.588 -1.626 -7.349 379 HA VAL 21 HA VAL 21 3.480 -3.708 -7.129 380 HB VAL 21 HB VAL 21 3.485 -2.964 -9.477 381 1HG1 VAL 21 1HG1 VAL 21 5.983 -2.226 -9.208 382 2HG1 VAL 21 2HG1 VAL 21 5.431 -2.811 -10.777 383 3HG1 VAL 21 3HG1 VAL 21 6.343 -3.878 -9.709 384 1HG2 VAL 21 1HG2 VAL 21 4.006 -5.137 -10.537 385 2HG2 VAL 21 2HG2 VAL 21 3.157 -5.373 -9.010 386 3HG2 VAL 21 3HG2 VAL 21 4.899 -5.626 -9.098 387 H TYR 22 H TYR 22 4.396 -5.253 -5.813 388 HA TYR 22 HA TYR 22 6.943 -6.471 -6.378 389 1HB TYR 22 2HB TYR 22 8.249 -5.504 -4.568 390 2HB TYR 22 1HB TYR 22 7.620 -4.193 -5.564 391 HD1 TYR 22 HD1 TYR 22 5.406 -3.081 -4.821 392 HD2 TYR 22 HD2 TYR 22 7.789 -5.579 -2.263 393 HE1 TYR 22 HE1 TYR 22 4.296 -2.104 -2.829 394 HE2 TYR 22 HE2 TYR 22 6.678 -4.603 -0.273 395 HH TYR 22 HH TYR 22 4.560 -1.838 -0.525 396 H GLY 23 H GLY 23 6.025 -8.463 -5.914 397 1HA GLY 23 2HA GLY 23 4.303 -8.903 -3.624 398 2HA GLY 23 1HA GLY 23 4.976 -10.160 -4.663 399 H GLY 24 H GLY 24 4.851 -10.434 -1.855 400 1HA GLY 24 2HA GLY 24 7.196 -11.545 -1.072 401 2HA GLY 24 1HA GLY 24 7.526 -9.835 -0.787 402 H CYS 25 H CYS 25 5.674 -12.601 0.270 403 HA CYS 25 HA CYS 25 4.234 -11.060 2.343 404 1HB CYS 25 2HB CYS 25 3.628 -13.213 0.833 405 2HB CYS 25 1HB CYS 25 4.274 -14.036 2.251 406 1HN NH2 26 1H CYS 25 7.142 -13.041 2.069 407 2HN NH2 26 2H CYS 25 7.527 -13.058 3.723 Start of MODEL 10 1 1HA MPT 1 1HA MPT 1 -9.869 -15.380 -7.614 2 2HA MPT 1 2HA MPT 1 -9.827 -16.957 -8.416 3 1HB MPT 1 1HB MPT 1 -7.199 -16.611 -7.955 4 2HB MPT 1 2HB MPT 1 -8.269 -17.297 -6.732 5 H LYS 2 H LYS 2 -7.099 -14.778 -8.673 6 HA LYS 2 HA LYS 2 -6.195 -13.666 -10.553 7 1HB LYS 2 2HB LYS 2 -7.986 -15.721 -11.896 8 2HB LYS 2 1HB LYS 2 -6.687 -14.834 -12.695 9 1HG LYS 2 2HG LYS 2 -5.033 -15.823 -11.203 10 2HG LYS 2 1HG LYS 2 -6.303 -16.630 -10.282 11 1HD LYS 2 2HD LYS 2 -6.972 -17.697 -12.554 12 2HD LYS 2 1HD LYS 2 -5.366 -17.199 -13.090 13 1HE LYS 2 2HE LYS 2 -4.690 -19.199 -12.207 14 2HE LYS 2 1HE LYS 2 -4.827 -18.370 -10.642 15 1HZ LYS 2 1HZ LYS 2 -7.228 -18.964 -10.675 16 2HZ LYS 2 2HZ LYS 2 -6.194 -20.305 -10.548 17 3HZ LYS 2 3HZ LYS 2 -6.932 -19.937 -12.032 18 H ALA 3 H ALA 3 -8.345 -12.327 -9.365 19 HA ALA 3 HA ALA 3 -10.012 -11.402 -11.673 20 1HB ALA 3 1HB ALA 3 -11.546 -10.637 -9.893 21 2HB ALA 3 2HB ALA 3 -10.382 -11.146 -8.670 22 3HB ALA 3 3HB ALA 3 -11.168 -12.348 -9.694 23 H CLG 4 H CLG 4 -7.708 -10.267 -12.042 24 HA CLG 4 HA CLG 4 -6.571 -8.217 -10.633 25 1HB CLG 4 1HB CLG 4 -7.395 -8.409 -13.536 26 2HB CLG 4 2HB CLG 4 -5.815 -8.748 -12.831 27 1HG CLG 4 1HG CLG 4 -5.556 -6.361 -12.263 28 2HG CLG 4 2HG CLG 4 -7.143 -6.021 -12.952 29 1HD CLG 4 1HD CLG 4 -4.915 -7.311 -14.542 30 2HD CLG 4 2HD CLG 4 -5.150 -5.565 -14.482 31 1HE CLG 4 1HE CLG 4 -7.586 -7.159 -15.083 32 2HE CLG 4 2HE CLG 4 -6.339 -7.142 -16.346 33 HNZ CLG 4 HNZ CLG 4 -7.379 -4.621 -15.090 34 1HI CLG 4 1HI CLG 4 -8.418 -3.319 -17.685 35 2HI CLG 4 2HI CLG 4 -7.346 -2.787 -16.389 36 HNJ CLG 4 HNJ CLG 4 -5.964 -3.360 -18.905 37 1HL CLG 4 1HL CLG 4 -4.385 -1.306 -19.267 38 2HL CLG 4 2HL CLG 4 -5.697 -1.267 -20.444 39 H ILE 5 H ILE 5 -8.054 -7.135 -9.213 40 HA ILE 5 HA ILE 5 -10.327 -5.647 -10.407 41 HB ILE 5 HB ILE 5 -10.442 -7.015 -8.285 42 1HG1 ILE 5 2HG1 ILE 5 -10.950 -4.078 -7.761 43 2HG1 ILE 5 1HG1 ILE 5 -11.953 -5.024 -8.862 44 1HG2 ILE 5 1HG2 ILE 5 -8.091 -6.124 -7.602 45 2HG2 ILE 5 2HG2 ILE 5 -9.303 -6.345 -6.341 46 3HG2 ILE 5 3HG2 ILE 5 -8.976 -4.733 -6.976 47 1HD1 ILE 5 1HD1 ILE 5 -11.743 -6.619 -6.575 48 2HD1 ILE 5 2HD1 ILE 5 -13.145 -5.663 -7.056 49 3HD1 ILE 5 3HD1 ILE 5 -11.951 -4.983 -5.950 50 H ILE 6 H ILE 6 -10.567 -3.316 -9.426 51 HA ILE 6 HA ILE 6 -7.907 -1.950 -9.304 52 HB ILE 6 HB ILE 6 -10.323 -1.170 -10.970 53 1HG1 ILE 6 2HG1 ILE 6 -7.591 -2.156 -11.846 54 2HG1 ILE 6 1HG1 ILE 6 -9.036 -3.167 -11.790 55 1HG2 ILE 6 1HG2 ILE 6 -7.558 0.024 -11.117 56 2HG2 ILE 6 2HG2 ILE 6 -8.753 0.647 -9.980 57 3HG2 ILE 6 3HG2 ILE 6 -9.078 0.690 -11.711 58 1HD1 ILE 6 1HD1 ILE 6 -8.550 -2.173 -14.063 59 2HD1 ILE 6 2HD1 ILE 6 -8.868 -0.585 -13.365 60 3HD1 ILE 6 3HD1 ILE 6 -10.151 -1.793 -13.428 61 H ARG 7 H ARG 7 -8.699 -2.058 -6.924 62 HA ARG 7 HA ARG 7 -10.973 -0.630 -5.988 63 1HB ARG 7 2HB ARG 7 -9.684 -2.124 -4.586 64 2HB ARG 7 1HB ARG 7 -8.223 -1.164 -4.824 65 1HG ARG 7 2HG ARG 7 -9.642 0.785 -3.813 66 2HG ARG 7 1HG ARG 7 -10.662 -0.512 -3.190 67 1HD ARG 7 2HD ARG 7 -8.792 -1.496 -1.993 68 2HD ARG 7 1HD ARG 7 -7.661 -0.351 -2.742 69 HE ARG 7 HE ARG 7 -9.691 0.328 -0.685 70 1HH1 ARG 7 1HH2 ARG 7 -7.850 1.564 -3.279 71 2HH1 ARG 7 2HH2 ARG 7 -7.344 2.991 -2.437 72 1HH2 ARG 7 1HH1 ARG 7 -8.786 2.046 0.572 73 2HH2 ARG 7 2HH1 ARG 7 -7.874 3.264 -0.256 74 H TYR 8 H TYR 8 -10.945 1.283 -7.469 75 HA TYR 8 HA TYR 8 -8.983 3.370 -6.588 76 1HB TYR 8 2HB TYR 8 -8.605 3.697 -8.797 77 2HB TYR 8 1HB TYR 8 -9.589 2.274 -9.109 78 HD1 TYR 8 HD1 TYR 8 -12.009 2.511 -9.638 79 HD2 TYR 8 HD2 TYR 8 -9.437 5.924 -9.205 80 HE1 TYR 8 HE1 TYR 8 -13.702 3.929 -10.765 81 HE2 TYR 8 HE2 TYR 8 -11.130 7.342 -10.332 82 HH TYR 8 HH TYR 8 -13.497 7.362 -10.793 83 H PHE 9 H PHE 9 -9.846 5.474 -6.120 84 HA PHE 9 HA PHE 9 -12.817 5.751 -6.194 85 1HB PHE 9 2HB PHE 9 -11.071 6.194 -3.755 86 2HB PHE 9 1HB PHE 9 -12.829 6.335 -3.824 87 HD1 PHE 9 HD1 PHE 9 -10.249 4.208 -2.866 88 HD2 PHE 9 HD2 PHE 9 -13.977 4.160 -4.996 89 HE1 PHE 9 HE1 PHE 9 -10.460 1.774 -2.443 90 HE2 PHE 9 HE2 PHE 9 -14.189 1.726 -4.572 91 HZ PHE 9 HZ PHE 9 -12.431 0.534 -3.294 92 H TYR 10 H TYR 10 -11.269 7.131 -7.958 93 HA TYR 10 HA TYR 10 -10.799 9.324 -8.694 94 1HB TYR 10 2HB TYR 10 -13.140 9.512 -7.805 95 2HB TYR 10 1HB TYR 10 -12.468 9.992 -6.247 96 HD1 TYR 10 HD1 TYR 10 -11.609 10.885 -9.793 97 HD2 TYR 10 HD2 TYR 10 -12.790 12.270 -5.903 98 HE1 TYR 10 HE1 TYR 10 -11.440 13.231 -10.576 99 HE2 TYR 10 HE2 TYR 10 -12.622 14.616 -6.686 100 HH TYR 10 HH TYR 10 -11.685 15.928 -8.368 101 H ASN 11 H ASN 11 -9.887 11.506 -7.850 102 HA ASN 11 HA ASN 11 -7.574 10.840 -6.167 103 1HB ASN 11 2HB ASN 11 -6.672 12.847 -7.131 104 2HB ASN 11 1HB ASN 11 -7.575 12.044 -8.414 105 1HD2 ASN 11 1HD2 ASN 11 -7.000 15.021 -7.887 106 2HD2 ASN 11 2HD2 ASN 11 -8.532 15.751 -7.934 107 H ALA 12 H ALA 12 -10.398 12.964 -6.029 108 HA ALA 12 HA ALA 12 -10.023 14.854 -4.184 109 1HB ALA 12 1HB ALA 12 -12.224 14.285 -4.889 110 2HB ALA 12 2HB ALA 12 -12.229 14.067 -3.140 111 3HB ALA 12 3HB ALA 12 -12.105 12.665 -4.203 112 H LYS 13 H LYS 13 -10.343 11.438 -3.127 113 HA LYS 13 HA LYS 13 -10.054 11.655 -0.389 114 1HB LYS 13 2HB LYS 13 -9.455 9.720 -2.502 115 2HB LYS 13 1HB LYS 13 -8.412 9.518 -1.093 116 1HG LYS 13 2HG LYS 13 -11.395 9.853 -0.788 117 2HG LYS 13 1HG LYS 13 -10.679 8.268 -1.089 118 1HD LYS 13 2HD LYS 13 -10.020 10.122 1.218 119 2HD LYS 13 1HD LYS 13 -10.916 8.606 1.320 120 1HE LYS 13 2HE LYS 13 -8.586 7.853 0.011 121 2HE LYS 13 1HE LYS 13 -8.019 9.032 1.212 122 1HZ LYS 13 1HZ LYS 13 -8.275 6.706 2.070 123 2HZ LYS 13 2HZ LYS 13 -9.951 6.868 1.839 124 3HZ LYS 13 3HZ LYS 13 -9.139 7.882 2.935 125 H ASP 14 H ASP 14 -7.158 10.561 -2.048 126 HA ASP 14 HA ASP 14 -5.486 12.158 -0.218 127 1HB ASP 14 2HB ASP 14 -5.058 10.057 -2.347 128 2HB ASP 14 1HB ASP 14 -3.694 10.901 -1.616 129 H GLY 15 H GLY 15 -7.141 12.978 -2.901 130 1HA GLY 15 2HA GLY 15 -6.863 15.011 -4.137 131 2HA GLY 15 1HA GLY 15 -5.182 15.081 -3.607 132 H LEU 16 H LEU 16 -5.037 12.082 -4.448 133 HA LEU 16 HA LEU 16 -4.733 12.616 -7.390 134 1HB LEU 16 2HB LEU 16 -2.855 10.803 -7.040 135 2HB LEU 16 1HB LEU 16 -2.544 12.475 -6.578 136 HG LEU 16 HG LEU 16 -3.760 10.668 -4.531 137 1HD1 LEU 16 1HD1 LEU 16 -1.765 9.558 -4.015 138 2HD1 LEU 16 2HD1 LEU 16 -0.775 10.726 -4.890 139 3HD1 LEU 16 3HD1 LEU 16 -1.739 9.546 -5.778 140 1HD2 LEU 16 1HD2 LEU 16 -2.607 12.110 -3.021 141 2HD2 LEU 16 2HD2 LEU 16 -3.222 13.174 -4.284 142 3HD2 LEU 16 3HD2 LEU 16 -1.527 12.694 -4.286 143 2HN ABA 17 HN ABA 17 -5.911 11.262 -8.660 144 HA ABA 17 HA ABA 17 -7.881 9.499 -8.042 145 1HB ABA 17 1HB ABA 17 -6.458 8.243 -10.138 146 2HB ABA 17 2HB ABA 17 -6.062 9.959 -10.240 147 1HG ABA 17 1HG ABA 17 -8.647 10.286 -9.887 148 2HG ABA 17 2HG ABA 17 -8.745 8.614 -10.441 149 3HG ABA 17 3HG ABA 17 -8.040 9.849 -11.485 150 H GLN 18 H GLN 18 -7.751 8.020 -6.353 151 HA GLN 18 HA GLN 18 -5.370 6.398 -5.855 152 1HB GLN 18 2HB GLN 18 -8.180 6.023 -4.790 153 2HB GLN 18 1HB GLN 18 -6.659 5.604 -4.000 154 1HG GLN 18 2HG GLN 18 -6.340 8.297 -4.492 155 2HG GLN 18 1HG GLN 18 -8.058 8.185 -4.111 156 1HE2 GLN 18 1HE2 GLN 18 -8.321 6.391 -2.136 157 2HE2 GLN 18 2HE2 GLN 18 -7.328 6.737 -0.803 158 H THR 19 H THR 19 -5.027 4.289 -6.548 159 HA THR 19 HA THR 19 -7.268 2.724 -7.695 160 HB THR 19 HB THR 19 -4.860 3.755 -9.214 161 HG1 THR 19 HG1 THR 19 -6.969 4.005 -10.626 162 1HG2 THR 19 1HG2 THR 19 -6.237 1.221 -9.475 163 2HG2 THR 19 2HG2 THR 19 -4.832 1.818 -10.358 164 3HG2 THR 19 3HG2 THR 19 -6.457 2.200 -10.926 165 H PHE 20 H PHE 20 -6.777 1.219 -5.970 166 HA PHE 20 HA PHE 20 -4.058 0.065 -5.823 167 1HB PHE 20 2HB PHE 20 -5.163 0.455 -3.746 168 2HB PHE 20 1HB PHE 20 -6.670 -0.250 -4.330 169 HD1 PHE 20 HD1 PHE 20 -3.171 -1.518 -4.660 170 HD2 PHE 20 HD2 PHE 20 -7.059 -2.110 -2.932 171 HE1 PHE 20 HE1 PHE 20 -2.458 -3.737 -3.815 172 HE2 PHE 20 HE2 PHE 20 -6.346 -4.331 -2.087 173 HZ PHE 20 HZ PHE 20 -4.045 -5.144 -2.530 174 H VAL 21 H VAL 21 -3.506 -1.735 -6.995 175 HA VAL 21 HA VAL 21 -5.671 -3.636 -7.804 176 HB VAL 21 HB VAL 21 -3.548 -2.334 -9.538 177 1HG1 VAL 21 1HG1 VAL 21 -5.546 -4.520 -10.199 178 2HG1 VAL 21 2HG1 VAL 21 -3.793 -4.703 -10.129 179 3HG1 VAL 21 3HG1 VAL 21 -4.524 -3.691 -11.373 180 1HG2 VAL 21 1HG2 VAL 21 -6.138 -1.526 -8.861 181 2HG2 VAL 21 2HG2 VAL 21 -6.319 -2.282 -10.444 182 3HG2 VAL 21 3HG2 VAL 21 -5.191 -0.944 -10.229 183 H TYR 22 H TYR 22 -4.815 -5.784 -8.355 184 HA TYR 22 HA TYR 22 -1.977 -6.340 -7.777 185 1HB TYR 22 2HB TYR 22 -2.391 -7.640 -5.821 186 2HB TYR 22 1HB TYR 22 -3.335 -6.169 -5.596 187 HD1 TYR 22 HD1 TYR 22 -5.785 -6.324 -6.767 188 HD2 TYR 22 HD2 TYR 22 -3.461 -9.639 -5.332 189 HE1 TYR 22 HE1 TYR 22 -7.848 -7.686 -6.568 190 HE2 TYR 22 HE2 TYR 22 -5.523 -11.000 -5.134 191 HH TYR 22 HH TYR 22 -8.006 -10.780 -6.482 192 H GLY 23 H GLY 23 -1.569 -7.568 -9.583 193 1HA GLY 23 2HA GLY 23 -3.592 -9.635 -10.340 194 2HA GLY 23 1HA GLY 23 -2.450 -8.907 -11.470 195 H GLY 24 H GLY 24 -3.020 -11.651 -9.681 196 1HA GLY 24 2HA GLY 24 -1.035 -13.281 -10.354 197 2HA GLY 24 1HA GLY 24 -0.148 -12.248 -9.232 198 H CYS 25 H CYS 25 -3.358 -13.852 -9.237 199 HA CYS 25 HA CYS 25 -3.025 -14.452 -6.354 200 1HB CYS 25 2HB CYS 25 -5.119 -13.522 -7.471 201 2HB CYS 25 1HB CYS 25 -5.313 -15.103 -8.229 202 1HN NH2 26 1H CYS 25 -1.725 -16.315 -6.039 203 2HN NH2 26 2H CYS 25 -1.952 -17.788 -6.851 204 1HA MPT 1 1HA MPT 1 8.609 -12.715 -8.909 205 2HA MPT 1 2HA MPT 1 9.973 -13.724 -8.405 206 1HB MPT 1 1HB MPT 1 7.661 -15.199 -9.507 207 2HB MPT 1 2HB MPT 1 9.376 -15.350 -9.894 208 H LYS 2 H LYS 2 7.860 -12.212 -6.809 209 HA LYS 2 HA LYS 2 6.809 -14.514 -5.228 210 1HB LYS 2 2HB LYS 2 8.893 -13.290 -4.402 211 2HB LYS 2 1HB LYS 2 7.850 -11.887 -4.173 212 1HG LYS 2 2HG LYS 2 7.572 -12.803 -2.091 213 2HG LYS 2 1HG LYS 2 6.357 -13.767 -2.927 214 1HD LYS 2 2HD LYS 2 7.849 -15.215 -1.609 215 2HD LYS 2 1HD LYS 2 8.040 -15.532 -3.334 216 1HE LYS 2 2HE LYS 2 10.129 -14.446 -3.433 217 2HE LYS 2 1HE LYS 2 9.828 -13.537 -1.938 218 1HZ LYS 2 1HZ LYS 2 9.952 -15.508 -0.659 219 2HZ LYS 2 2HZ LYS 2 11.309 -15.529 -1.682 220 3HZ LYS 2 3HZ LYS 2 9.959 -16.499 -2.035 221 H ALA 3 H ALA 3 6.063 -11.818 -3.688 222 HA ALA 3 HA ALA 3 3.312 -11.826 -3.942 223 1HB ALA 3 1HB ALA 3 4.153 -10.418 -2.295 224 2HB ALA 3 2HB ALA 3 3.704 -9.225 -3.516 225 3HB ALA 3 3HB ALA 3 5.384 -9.740 -3.361 226 H ARG 4 H ARG 4 1.931 -10.082 -5.060 227 HA ARG 4 HA ARG 4 2.995 -9.063 -7.620 228 1HB ARG 4 2HB ARG 4 0.745 -10.360 -8.528 229 2HB ARG 4 1HB ARG 4 2.382 -10.992 -8.674 230 1HG ARG 4 2HG ARG 4 0.845 -12.675 -7.707 231 2HG ARG 4 1HG ARG 4 2.109 -12.227 -6.562 232 1HD ARG 4 2HD ARG 4 0.228 -10.386 -5.896 233 2HD ARG 4 1HD ARG 4 -0.815 -11.719 -6.427 234 HE ARG 4 HE ARG 4 1.399 -12.553 -4.696 235 1HH1 ARG 4 1HH2 ARG 4 -0.231 -10.604 -3.101 236 2HH1 ARG 4 2HH2 ARG 4 -1.425 -11.634 -2.384 237 1HH2 ARG 4 1HH1 ARG 4 -0.844 -14.269 -4.562 238 2HH2 ARG 4 2HH1 ARG 4 -1.773 -13.709 -3.212 239 H ILE 5 H ILE 5 1.928 -7.761 -5.290 240 HA ILE 5 HA ILE 5 -0.723 -6.769 -6.277 241 HB ILE 5 HB ILE 5 -0.847 -7.752 -4.086 242 1HG1 ILE 5 2HG1 ILE 5 -0.570 -4.742 -3.810 243 2HG1 ILE 5 1HG1 ILE 5 -2.028 -5.599 -4.313 244 1HG2 ILE 5 1HG2 ILE 5 1.179 -7.968 -3.076 245 2HG2 ILE 5 2HG2 ILE 5 0.812 -6.390 -2.380 246 3HG2 ILE 5 3HG2 ILE 5 1.813 -6.504 -3.828 247 1HD1 ILE 5 1HD1 ILE 5 -2.249 -5.105 -1.959 248 2HD1 ILE 5 2HD1 ILE 5 -0.649 -5.765 -1.621 249 3HD1 ILE 5 3HD1 ILE 5 -1.960 -6.837 -2.116 250 H ILE 6 H ILE 6 -0.497 -4.830 -7.338 251 HA ILE 6 HA ILE 6 1.640 -2.946 -6.393 252 HB ILE 6 HB ILE 6 0.344 -3.344 -9.110 253 1HG1 ILE 6 2HG1 ILE 6 3.172 -3.900 -8.156 254 2HG1 ILE 6 1HG1 ILE 6 1.932 -5.134 -8.380 255 1HG2 ILE 6 1HG2 ILE 6 1.854 -1.670 -9.934 256 2HG2 ILE 6 2HG2 ILE 6 2.708 -1.593 -8.394 257 3HG2 ILE 6 3HG2 ILE 6 1.061 -0.976 -8.521 258 1HD1 ILE 6 1HD1 ILE 6 3.694 -4.139 -10.336 259 2HD1 ILE 6 2HD1 ILE 6 2.118 -3.452 -10.730 260 3HD1 ILE 6 3HD1 ILE 6 2.310 -5.200 -10.598 261 H ARG 7 H ARG 7 0.858 -1.092 -5.473 262 HA ARG 7 HA ARG 7 -2.017 -0.449 -5.674 263 1HB ARG 7 2HB ARG 7 0.371 0.507 -4.097 264 2HB ARG 7 1HB ARG 7 -1.147 1.405 -4.058 265 1HG ARG 7 2HG ARG 7 -1.556 -1.467 -3.713 266 2HG ARG 7 1HG ARG 7 -0.513 -0.785 -2.464 267 1HD ARG 7 2HD ARG 7 -2.881 0.870 -3.105 268 2HD ARG 7 1HD ARG 7 -3.246 -0.697 -2.353 269 HE ARG 7 HE ARG 7 -1.386 1.333 -1.177 270 1HH1 ARG 7 1HH1 ARG 7 -3.969 1.062 0.169 271 2HH1 ARG 7 2HH1 ARG 7 -3.670 -0.139 1.380 272 1HH2 ARG 7 1HH2 ARG 7 -0.760 -1.296 -0.110 273 2HH2 ARG 7 2HH2 ARG 7 -1.853 -1.475 1.223 274 H TYR 8 H TYR 8 -2.492 0.549 -7.635 275 HA TYR 8 HA TYR 8 -0.639 2.421 -8.913 276 1HB TYR 8 2HB TYR 8 -3.167 1.020 -9.448 277 2HB TYR 8 1HB TYR 8 -3.111 2.642 -10.138 278 HD1 TYR 8 HD1 TYR 8 -1.577 -0.707 -10.150 279 HD2 TYR 8 HD2 TYR 8 -1.468 3.239 -11.843 280 HE1 TYR 8 HE1 TYR 8 -0.102 -1.528 -11.966 281 HE2 TYR 8 HE2 TYR 8 0.007 2.418 -13.660 282 HH TYR 8 HH TYR 8 0.868 -1.025 -13.913 283 H PHE 9 H PHE 9 -0.477 4.527 -8.270 284 HA PHE 9 HA PHE 9 -2.897 5.830 -7.066 285 1HB PHE 9 2HB PHE 9 -0.491 5.298 -5.898 286 2HB PHE 9 1HB PHE 9 -0.174 6.901 -6.558 287 HD1 PHE 9 HD1 PHE 9 -3.245 7.667 -6.386 288 HD2 PHE 9 HD2 PHE 9 -0.370 6.141 -3.583 289 HE1 PHE 9 HE1 PHE 9 -4.516 8.691 -4.521 290 HE2 PHE 9 HE2 PHE 9 -1.642 7.163 -1.719 291 HZ PHE 9 HZ PHE 9 -3.718 8.439 -2.186 292 H TYR 10 H TYR 10 -2.301 5.736 -9.901 293 HA TYR 10 HA TYR 10 -0.915 7.924 -10.976 294 1HB TYR 10 2HB TYR 10 -2.034 7.336 -12.924 295 2HB TYR 10 1HB TYR 10 -2.327 5.893 -11.960 296 HD1 TYR 10 HD1 TYR 10 -3.803 9.167 -12.963 297 HD2 TYR 10 HD2 TYR 10 -4.534 5.250 -11.361 298 HE1 TYR 10 HE1 TYR 10 -6.245 9.546 -13.153 299 HE2 TYR 10 HE2 TYR 10 -6.978 5.629 -11.551 300 HH TYR 10 HH TYR 10 -8.388 7.641 -13.377 301 H ASN 11 H ASN 11 -1.151 10.083 -10.629 302 HA ASN 11 HA ASN 11 -3.728 11.099 -9.524 303 1HB ASN 11 2HB ASN 11 -1.685 11.568 -8.279 304 2HB ASN 11 1HB ASN 11 -0.915 12.222 -9.725 305 1HD2 ASN 11 1HD2 ASN 11 -0.666 14.349 -8.689 306 2HD2 ASN 11 2HD2 ASN 11 -2.002 15.372 -8.466 307 H ALA 12 H ALA 12 -4.276 13.402 -10.350 308 HA ALA 12 HA ALA 12 -4.443 13.310 -13.286 309 1HB ALA 12 1HB ALA 12 -6.214 13.990 -11.494 310 2HB ALA 12 2HB ALA 12 -6.106 14.955 -12.967 311 3HB ALA 12 3HB ALA 12 -5.368 15.537 -11.474 312 H LYS 13 H LYS 13 -4.441 16.170 -13.692 313 HA LYS 13 HA LYS 13 -2.902 17.841 -14.348 314 1HB LYS 13 2HB LYS 13 -2.192 16.919 -11.593 315 2HB LYS 13 1HB LYS 13 -1.073 18.017 -12.401 316 1HG LYS 13 2HG LYS 13 -2.598 19.421 -11.220 317 2HG LYS 13 1HG LYS 13 -3.107 19.485 -12.907 318 1HD LYS 13 2HD LYS 13 -4.338 17.268 -11.446 319 2HD LYS 13 1HD LYS 13 -4.739 18.843 -10.759 320 1HE LYS 13 2HE LYS 13 -4.880 18.499 -13.741 321 2HE LYS 13 1HE LYS 13 -6.206 17.883 -12.735 322 1HZ LYS 13 1HZ LYS 13 -5.068 20.604 -12.427 323 2HZ LYS 13 2HZ LYS 13 -6.492 19.991 -11.734 324 3HZ LYS 13 3HZ LYS 13 -6.413 20.280 -13.407 325 H ASP 14 H ASP 14 -0.380 16.105 -12.639 326 HA ASP 14 HA ASP 14 0.661 14.933 -15.170 327 1HB ASP 14 2HB ASP 14 1.808 17.186 -13.549 328 2HB ASP 14 1HB ASP 14 2.908 16.086 -14.381 329 H GLY 15 H GLY 15 -0.200 14.305 -12.154 330 1HA GLY 15 2HA GLY 15 2.238 12.760 -11.410 331 2HA GLY 15 1HA GLY 15 0.906 13.141 -10.316 332 H CLH 16 H CLH 16 0.425 11.963 -13.596 333 HA CLH 16 HA CLH 16 -1.251 9.778 -12.639 334 1HB CLH 16 1HB CLH 16 -0.201 10.049 -15.440 335 2HB CLH 16 2HB CLH 16 -1.281 11.291 -14.808 336 1HG CLH 16 1HG CLH 16 -3.044 9.947 -15.197 337 2HG CLH 16 2HG CLH 16 -2.363 8.741 -14.106 338 1HD CLH 16 1HD CLH 16 -0.813 8.244 -16.223 339 2HD CLH 16 2HD CLH 16 -2.194 8.926 -17.085 340 1HE CLH 16 1HE CLH 16 -3.548 7.267 -15.476 341 2HE CLH 16 2HE CLH 16 -2.004 6.392 -15.500 342 HNZ CLH 16 HNZ CLH 16 -2.615 7.204 -18.165 343 1HI CLH 16 1HI CLH 16 -4.756 5.565 -19.382 344 2HI CLH 16 2HI CLH 16 -3.020 5.497 -19.685 345 HNJ CLH 16 HNJ CLH 16 -4.438 3.146 -18.509 346 HL CLH 16 HL CLH 16 -2.603 1.071 -19.610 347 2HN ABA 17 HN ABA 17 1.026 9.137 -11.397 348 HA ABA 17 HA ABA 17 1.793 6.593 -12.507 349 1HB ABA 17 1HB ABA 17 4.014 8.622 -12.597 350 2HB ABA 17 2HB ABA 17 2.898 8.482 -13.955 351 1HG ABA 17 1HG ABA 17 5.014 6.626 -13.049 352 2HG ABA 17 2HG ABA 17 4.338 6.861 -14.661 353 3HG ABA 17 3HG ABA 17 3.491 5.853 -13.488 354 H GLN 18 H GLN 18 0.962 7.130 -9.971 355 HA GLN 18 HA GLN 18 3.462 7.174 -8.313 356 1HB GLN 18 2HB GLN 18 0.595 8.011 -7.848 357 2HB GLN 18 1HB GLN 18 1.706 7.768 -6.500 358 1HG GLN 18 2HG GLN 18 3.172 9.308 -8.302 359 2HG GLN 18 1HG GLN 18 1.548 9.989 -8.388 360 1HE2 GLN 18 1HE2 GLN 18 1.714 11.840 -7.068 361 2HE2 GLN 18 2HE2 GLN 18 2.242 11.813 -5.455 362 H THR 19 H THR 19 3.167 4.745 -9.343 363 HA THR 19 HA THR 19 1.342 3.084 -7.714 364 HB THR 19 HB THR 19 1.663 2.697 -10.128 365 HG1 THR 19 HG1 THR 19 2.930 0.634 -8.663 366 1HG2 THR 19 1HG2 THR 19 4.293 1.539 -10.063 367 2HG2 THR 19 2HG2 THR 19 4.374 3.198 -9.470 368 3HG2 THR 19 3HG2 THR 19 3.698 2.863 -11.064 369 H PHE 20 H PHE 20 2.235 1.200 -6.513 370 HA PHE 20 HA PHE 20 4.806 1.908 -5.171 371 1HB PHE 20 2HB PHE 20 2.408 0.199 -4.464 372 2HB PHE 20 1HB PHE 20 3.866 0.246 -3.473 373 HD1 PHE 20 HD1 PHE 20 3.915 1.774 -1.719 374 HD2 PHE 20 HD2 PHE 20 1.530 2.642 -5.185 375 HE1 PHE 20 HE1 PHE 20 3.121 3.867 -0.649 376 HE2 PHE 20 HE2 PHE 20 0.738 4.733 -4.116 377 HZ PHE 20 HZ PHE 20 1.533 5.347 -1.849 378 H VAL 21 H VAL 21 5.927 -0.256 -4.325 379 HA VAL 21 HA VAL 21 5.960 -2.270 -6.547 380 HB VAL 21 HB VAL 21 8.444 -2.230 -6.314 381 1HG1 VAL 21 1HG1 VAL 21 7.027 -0.658 -7.846 382 2HG1 VAL 21 2HG1 VAL 21 8.740 -0.302 -7.620 383 3HG1 VAL 21 3HG1 VAL 21 7.524 0.608 -6.723 384 1HG2 VAL 21 1HG2 VAL 21 9.374 -1.275 -4.497 385 2HG2 VAL 21 2HG2 VAL 21 7.774 -0.789 -3.939 386 3HG2 VAL 21 3HG2 VAL 21 8.712 0.288 -4.974 387 H TYR 22 H TYR 22 4.670 -3.603 -5.022 388 HA TYR 22 HA TYR 22 5.890 -4.373 -2.458 389 1HB TYR 22 2HB TYR 22 3.415 -5.077 -4.038 390 2HB TYR 22 1HB TYR 22 3.839 -5.966 -2.576 391 HD1 TYR 22 HD1 TYR 22 2.784 -2.714 -3.944 392 HD2 TYR 22 HD2 TYR 22 3.801 -4.888 -0.381 393 HE1 TYR 22 HE1 TYR 22 1.818 -0.897 -2.560 394 HE2 TYR 22 HE2 TYR 22 2.836 -3.069 1.002 395 HH TYR 22 HH TYR 22 1.963 -0.017 -0.324 396 H GLY 23 H GLY 23 5.545 -5.702 -5.719 397 1HA GLY 23 2HA GLY 23 6.927 -8.192 -4.847 398 2HA GLY 23 1HA GLY 23 6.067 -7.990 -6.374 399 H GLY 24 H GLY 24 7.855 -8.577 -7.679 400 1HA GLY 24 2HA GLY 24 9.486 -6.673 -8.777 401 2HA GLY 24 1HA GLY 24 10.417 -7.191 -7.370 402 H CYS 25 H CYS 25 9.477 -8.001 -10.584 403 HA CYS 25 HA CYS 25 11.455 -10.091 -10.789 404 1HB CYS 25 2HB CYS 25 9.841 -11.287 -9.402 405 2HB CYS 25 1HB CYS 25 8.535 -10.871 -10.511 406 1HN NH2 26 1H CYS 25 8.424 -8.704 -12.106 407 2HN NH2 26 2H CYS 25 8.853 -8.881 -13.740 Start of MODEL 11 1 1HA MPT 1 1HA MPT 1 -8.241 -16.132 -11.171 2 2HA MPT 1 2HA MPT 1 -7.904 -17.415 -9.997 3 1HB MPT 1 1HB MPT 1 -8.491 -15.622 -8.229 4 2HB MPT 1 2HB MPT 1 -9.831 -16.248 -9.192 5 H LYS 2 H LYS 2 -5.948 -16.240 -11.781 6 HA LYS 2 HA LYS 2 -4.134 -14.950 -9.766 7 1HB LYS 2 2HB LYS 2 -3.889 -17.200 -11.689 8 2HB LYS 2 1HB LYS 2 -2.482 -16.144 -11.562 9 1HG LYS 2 2HG LYS 2 -1.933 -17.425 -9.771 10 2HG LYS 2 1HG LYS 2 -3.165 -16.489 -8.923 11 1HD LYS 2 2HD LYS 2 -4.855 -18.213 -9.763 12 2HD LYS 2 1HD LYS 2 -3.467 -19.199 -10.228 13 1HE LYS 2 2HE LYS 2 -3.626 -20.003 -8.087 14 2HE LYS 2 1HE LYS 2 -2.805 -18.492 -7.649 15 1HZ LYS 2 1HZ LYS 2 -4.881 -17.409 -7.340 16 2HZ LYS 2 2HZ LYS 2 -4.961 -18.867 -6.472 17 3HZ LYS 2 3HZ LYS 2 -5.746 -18.724 -7.971 18 H ALA 3 H ALA 3 -5.599 -13.127 -11.142 19 HA ALA 3 HA ALA 3 -3.943 -12.284 -13.474 20 1HB ALA 3 1HB ALA 3 -5.977 -11.075 -14.122 21 2HB ALA 3 2HB ALA 3 -6.753 -11.564 -12.616 22 3HB ALA 3 3HB ALA 3 -6.349 -12.774 -13.832 23 H CLG 4 H CLG 4 -5.777 -9.820 -12.580 24 HA CLG 4 HA CLG 4 -4.393 -8.702 -10.302 25 1HB CLG 4 1HB CLG 4 -2.543 -8.664 -11.875 26 2HB CLG 4 2HB CLG 4 -3.110 -7.007 -11.663 27 1HG CLG 4 1HG CLG 4 -4.418 -7.171 -13.732 28 2HG CLG 4 2HG CLG 4 -3.931 -8.856 -13.926 29 1HD CLG 4 1HD CLG 4 -2.407 -7.730 -15.309 30 2HD CLG 4 2HD CLG 4 -1.499 -7.893 -13.805 31 1HE CLG 4 1HE CLG 4 -1.808 -5.622 -13.237 32 2HE CLG 4 2HE CLG 4 -3.205 -5.449 -14.319 33 HNZ CLG 4 HNZ CLG 4 -1.231 -6.118 -16.078 34 1HI CLG 4 1HI CLG 4 1.105 -4.810 -16.425 35 2HI CLG 4 2HI CLG 4 -0.260 -4.145 -17.323 36 HNJ CLG 4 HNJ CLG 4 1.329 -2.488 -15.401 37 1HL CLG 4 1HL CLG 4 0.844 0.000 -16.051 38 2HL CLG 4 2HL CLG 4 2.357 -0.527 -16.787 39 H ILE 5 H ILE 5 -6.900 -8.512 -10.193 40 HA ILE 5 HA ILE 5 -8.439 -6.807 -11.813 41 HB ILE 5 HB ILE 5 -8.603 -8.182 -9.338 42 1HG1 ILE 5 2HG1 ILE 5 -10.212 -8.337 -11.168 43 2HG1 ILE 5 1HG1 ILE 5 -11.046 -7.856 -9.689 44 1HG2 ILE 5 1HG2 ILE 5 -9.616 -6.713 -7.789 45 2HG2 ILE 5 2HG2 ILE 5 -9.837 -5.449 -8.998 46 3HG2 ILE 5 3HG2 ILE 5 -8.224 -5.808 -8.381 47 1HD1 ILE 5 1HD1 ILE 5 -11.006 -5.512 -10.395 48 2HD1 ILE 5 2HD1 ILE 5 -11.760 -6.499 -11.647 49 3HD1 ILE 5 3HD1 ILE 5 -10.097 -5.943 -11.843 50 H ILE 6 H ILE 6 -9.326 -4.591 -10.578 51 HA ILE 6 HA ILE 6 -7.066 -2.993 -9.546 52 HB ILE 6 HB ILE 6 -8.432 -2.472 -12.205 53 1HG1 ILE 6 2HG1 ILE 6 -5.627 -3.298 -11.414 54 2HG1 ILE 6 1HG1 ILE 6 -6.753 -4.173 -12.452 55 1HG2 ILE 6 1HG2 ILE 6 -6.833 -0.553 -12.337 56 2HG2 ILE 6 2HG2 ILE 6 -6.367 -0.868 -10.666 57 3HG2 ILE 6 3HG2 ILE 6 -8.016 -0.368 -11.043 58 1HD1 ILE 6 1HD1 ILE 6 -6.680 -2.220 -14.045 59 2HD1 ILE 6 2HD1 ILE 6 -5.144 -3.072 -13.881 60 3HD1 ILE 6 3HD1 ILE 6 -5.392 -1.534 -13.054 61 H ARG 7 H ARG 7 -8.034 -1.952 -7.864 62 HA ARG 7 HA ARG 7 -10.818 -0.897 -8.245 63 1HB ARG 7 2HB ARG 7 -9.640 -2.624 -6.320 64 2HB ARG 7 1HB ARG 7 -9.963 -1.097 -5.497 65 1HG ARG 7 2HG ARG 7 -12.116 -1.735 -5.333 66 2HG ARG 7 1HG ARG 7 -12.231 -1.562 -7.084 67 1HD ARG 7 2HD ARG 7 -11.229 -3.960 -7.184 68 2HD ARG 7 1HD ARG 7 -11.710 -4.064 -5.479 69 HE ARG 7 HE ARG 7 -14.030 -3.356 -6.289 70 1HH1 ARG 7 1HH2 ARG 7 -12.796 -3.114 -9.156 71 2HH1 ARG 7 2HH2 ARG 7 -13.497 -4.515 -9.893 72 1HH2 ARG 7 1HH1 ARG 7 -14.484 -5.930 -6.885 73 2HH2 ARG 7 2HH1 ARG 7 -14.454 -6.110 -8.607 74 H TYR 8 H TYR 8 -10.956 1.330 -8.177 75 HA TYR 8 HA TYR 8 -9.003 2.863 -6.552 76 1HB TYR 8 2HB TYR 8 -8.334 4.189 -8.521 77 2HB TYR 8 1HB TYR 8 -7.967 2.481 -8.768 78 HD1 TYR 8 HD1 TYR 8 -9.516 5.332 -10.176 79 HD2 TYR 8 HD2 TYR 8 -9.911 1.065 -9.883 80 HE1 TYR 8 HE1 TYR 8 -10.931 5.323 -12.212 81 HE2 TYR 8 HE2 TYR 8 -11.327 1.056 -11.920 82 HH TYR 8 HH TYR 8 -12.296 4.085 -13.495 83 H PHE 9 H PHE 9 -9.540 5.321 -6.895 84 HA PHE 9 HA PHE 9 -12.490 5.714 -7.249 85 1HB PHE 9 2HB PHE 9 -11.021 7.222 -5.123 86 2HB PHE 9 1HB PHE 9 -12.686 6.648 -5.134 87 HD1 PHE 9 HD1 PHE 9 -9.558 6.172 -3.662 88 HD2 PHE 9 HD2 PHE 9 -12.858 3.941 -5.271 89 HE1 PHE 9 HE1 PHE 9 -8.878 4.199 -2.322 90 HE2 PHE 9 HE2 PHE 9 -12.177 1.968 -3.930 91 HZ PHE 9 HZ PHE 9 -10.187 2.098 -2.456 92 H TYR 10 H TYR 10 -12.419 8.477 -6.611 93 HA TYR 10 HA TYR 10 -10.340 9.690 -8.342 94 1HB TYR 10 2HB TYR 10 -12.491 8.812 -9.596 95 2HB TYR 10 1HB TYR 10 -13.226 10.276 -8.938 96 HD1 TYR 10 HD1 TYR 10 -12.086 9.222 -11.875 97 HD2 TYR 10 HD2 TYR 10 -11.042 12.212 -8.973 98 HE1 TYR 10 HE1 TYR 10 -11.001 10.569 -13.652 99 HE2 TYR 10 HE2 TYR 10 -9.957 13.558 -10.748 100 HH TYR 10 HH TYR 10 -8.860 12.723 -13.275 101 H ASN 11 H ASN 11 -9.691 11.503 -7.283 102 HA ASN 11 HA ASN 11 -11.718 12.999 -5.650 103 1HB ASN 11 2HB ASN 11 -9.192 11.730 -4.991 104 2HB ASN 11 1HB ASN 11 -9.134 13.454 -4.622 105 1HD2 ASN 11 1HD2 ASN 11 -9.087 12.442 -2.298 106 2HD2 ASN 11 2HD2 ASN 11 -10.593 12.176 -1.563 107 H ALA 12 H ALA 12 -11.938 14.259 -7.745 108 HA ALA 12 HA ALA 12 -9.807 15.718 -8.945 109 1HB ALA 12 1HB ALA 12 -12.289 15.281 -9.619 110 2HB ALA 12 2HB ALA 12 -11.570 16.829 -10.062 111 3HB ALA 12 3HB ALA 12 -12.639 16.722 -8.665 112 H LYS 13 H LYS 13 -11.424 18.344 -8.480 113 HA LYS 13 HA LYS 13 -11.300 20.246 -7.083 114 1HB LYS 13 2HB LYS 13 -10.391 18.306 -4.943 115 2HB LYS 13 1HB LYS 13 -11.309 19.798 -4.739 116 1HG LYS 13 2HG LYS 13 -13.040 18.543 -6.320 117 2HG LYS 13 1HG LYS 13 -12.242 17.112 -5.666 118 1HD LYS 13 2HD LYS 13 -12.771 17.747 -3.409 119 2HD LYS 13 1HD LYS 13 -13.328 19.340 -3.926 120 1HE LYS 13 2HE LYS 13 -15.247 17.819 -3.492 121 2HE LYS 13 1HE LYS 13 -15.170 18.259 -5.210 122 1HZ LYS 13 1HZ LYS 13 -13.726 15.900 -4.173 123 2HZ LYS 13 2HZ LYS 13 -14.190 16.243 -5.771 124 3HZ LYS 13 3HZ LYS 13 -15.357 15.784 -4.624 125 H ASP 14 H ASP 14 -8.783 17.976 -6.070 126 HA ASP 14 HA ASP 14 -6.719 20.088 -6.561 127 1HB ASP 14 2HB ASP 14 -6.644 17.647 -4.751 128 2HB ASP 14 1HB ASP 14 -5.462 18.956 -4.797 129 H GLY 15 H GLY 15 -8.098 17.437 -7.950 130 1HA GLY 15 2HA GLY 15 -7.378 16.032 -9.688 131 2HA GLY 15 1HA GLY 15 -5.890 16.979 -9.744 132 H LEU 16 H LEU 16 -7.499 14.475 -7.762 133 HA LEU 16 HA LEU 16 -4.899 13.052 -7.567 134 1HB LEU 16 2HB LEU 16 -5.137 14.749 -5.696 135 2HB LEU 16 1HB LEU 16 -6.534 13.831 -5.134 136 HG LEU 16 HG LEU 16 -4.155 12.180 -5.661 137 1HD1 LEU 16 1HD1 LEU 16 -3.352 14.475 -4.665 138 2HD1 LEU 16 2HD1 LEU 16 -2.761 12.970 -3.960 139 3HD1 LEU 16 3HD1 LEU 16 -4.063 13.862 -3.171 140 1HD2 LEU 16 1HD2 LEU 16 -6.151 12.532 -3.410 141 2HD2 LEU 16 2HD2 LEU 16 -4.824 11.374 -3.337 142 3HD2 LEU 16 3HD2 LEU 16 -6.068 11.213 -4.577 143 2HN ABA 17 HN ABA 17 -5.405 10.959 -8.070 144 HA ABA 17 HA ABA 17 -8.019 9.858 -7.090 145 1HB ABA 17 1HB ABA 17 -6.637 9.719 -9.771 146 2HB ABA 17 2HB ABA 17 -8.293 10.211 -9.414 147 1HG ABA 17 1HG ABA 17 -8.124 7.606 -8.419 148 2HG ABA 17 2HG ABA 17 -7.226 7.546 -9.937 149 3HG ABA 17 3HG ABA 17 -8.902 8.095 -9.924 150 H GLN 18 H GLN 18 -7.697 8.076 -5.811 151 HA GLN 18 HA GLN 18 -5.017 6.812 -5.740 152 1HB GLN 18 2HB GLN 18 -6.699 7.582 -3.809 153 2HB GLN 18 1HB GLN 18 -7.334 5.955 -4.052 154 1HG GLN 18 2HG GLN 18 -5.661 5.198 -2.745 155 2HG GLN 18 1HG GLN 18 -4.543 5.648 -4.033 156 1HE2 GLN 18 1HE2 GLN 18 -2.915 6.262 -2.391 157 2HE2 GLN 18 2HE2 GLN 18 -3.073 7.713 -1.526 158 H THR 19 H THR 19 -4.718 4.554 -6.113 159 HA THR 19 HA THR 19 -7.025 2.980 -7.122 160 HB THR 19 HB THR 19 -4.525 3.698 -8.680 161 HG1 THR 19 HG1 THR 19 -6.144 5.238 -8.789 162 1HG2 THR 19 1HG2 THR 19 -6.616 2.156 -10.041 163 2HG2 THR 19 2HG2 THR 19 -5.824 1.264 -8.742 164 3HG2 THR 19 3HG2 THR 19 -4.867 1.938 -10.061 165 H PHE 20 H PHE 20 -6.505 1.777 -5.114 166 HA PHE 20 HA PHE 20 -3.886 0.420 -4.999 167 1HB PHE 20 2HB PHE 20 -4.427 0.795 -2.829 168 2HB PHE 20 1HB PHE 20 -6.103 1.138 -3.242 169 HD1 PHE 20 HD1 PHE 20 -7.817 -0.493 -2.933 170 HD2 PHE 20 HD2 PHE 20 -3.688 -1.602 -2.514 171 HE1 PHE 20 HE1 PHE 20 -8.501 -2.684 -1.994 172 HE2 PHE 20 HE2 PHE 20 -4.372 -3.793 -1.573 173 HZ PHE 20 HZ PHE 20 -6.779 -4.334 -1.314 174 H VAL 21 H VAL 21 -3.559 -1.679 -5.630 175 HA VAL 21 HA VAL 21 -5.954 -3.346 -6.321 176 HB VAL 21 HB VAL 21 -3.361 -2.931 -7.842 177 1HG1 VAL 21 1HG1 VAL 21 -4.520 -4.393 -9.558 178 2HG1 VAL 21 2HG1 VAL 21 -5.704 -4.793 -8.313 179 3HG1 VAL 21 3HG1 VAL 21 -4.011 -5.234 -8.093 180 1HG2 VAL 21 1HG2 VAL 21 -5.309 -2.317 -9.583 181 2HG2 VAL 21 2HG2 VAL 21 -4.636 -1.117 -8.479 182 3HG2 VAL 21 3HG2 VAL 21 -6.158 -1.918 -8.090 183 H TYR 22 H TYR 22 -5.212 -5.733 -6.566 184 HA TYR 22 HA TYR 22 -2.787 -6.557 -5.163 185 1HB TYR 22 2HB TYR 22 -4.114 -5.827 -3.268 186 2HB TYR 22 1HB TYR 22 -5.521 -6.713 -3.855 187 HD1 TYR 22 HD1 TYR 22 -5.898 -8.318 -2.149 188 HD2 TYR 22 HD2 TYR 22 -1.960 -7.826 -3.792 189 HE1 TYR 22 HE1 TYR 22 -5.135 -10.336 -0.924 190 HE2 TYR 22 HE2 TYR 22 -1.196 -9.844 -2.569 191 HH TYR 22 HH TYR 22 -2.982 -11.267 -0.075 192 H GLY 23 H GLY 23 -2.294 -8.639 -5.827 193 1HA GLY 23 2HA GLY 23 -4.118 -9.968 -7.677 194 2HA GLY 23 1HA GLY 23 -2.528 -10.557 -7.192 195 H GLY 24 H GLY 24 -5.174 -11.971 -7.328 196 1HA GLY 24 2HA GLY 24 -5.510 -13.968 -5.883 197 2HA GLY 24 1HA GLY 24 -5.207 -12.924 -4.493 198 H CYS 25 H CYS 25 -7.654 -14.536 -5.776 199 HA CYS 25 HA CYS 25 -9.637 -12.333 -5.297 200 1HB CYS 25 2HB CYS 25 -9.891 -14.804 -7.043 201 2HB CYS 25 1HB CYS 25 -11.035 -13.469 -6.942 202 1HN NH2 26 1H CYS 25 -11.707 -13.111 -4.265 203 2HN NH2 26 2H CYS 25 -11.673 -14.464 -3.241 204 1HA MPT 1 1HA MPT 1 4.715 -18.667 -5.709 205 2HA MPT 1 2HA MPT 1 5.794 -18.072 -6.981 206 1HB MPT 1 1HB MPT 1 6.781 -17.564 -4.827 207 2HB MPT 1 2HB MPT 1 5.264 -16.894 -4.227 208 H LYS 2 H LYS 2 2.642 -17.787 -5.565 209 HA LYS 2 HA LYS 2 1.888 -15.897 -7.743 210 1HB LYS 2 2HB LYS 2 0.166 -17.560 -5.881 211 2HB LYS 2 1HB LYS 2 -0.339 -16.795 -7.388 212 1HG LYS 2 2HG LYS 2 1.140 -18.239 -8.673 213 2HG LYS 2 1HG LYS 2 1.795 -18.940 -7.193 214 1HD LYS 2 2HD LYS 2 -0.488 -19.765 -6.616 215 2HD LYS 2 1HD LYS 2 -1.069 -19.152 -8.165 216 1HE LYS 2 2HE LYS 2 1.339 -20.889 -8.305 217 2HE LYS 2 1HE LYS 2 -0.177 -21.694 -7.849 218 1HZ LYS 2 1HZ LYS 2 0.264 -21.405 -10.325 219 2HZ LYS 2 2HZ LYS 2 -0.051 -19.755 -10.081 220 3HZ LYS 2 3HZ LYS 2 -1.253 -20.910 -9.754 221 H ALA 3 H ALA 3 3.255 -14.803 -5.487 222 HA ALA 3 HA ALA 3 1.065 -13.396 -4.002 223 1HB ALA 3 1HB ALA 3 3.147 -14.804 -3.032 224 2HB ALA 3 2HB ALA 3 2.500 -13.395 -2.191 225 3HB ALA 3 3HB ALA 3 3.936 -13.237 -3.202 226 H ARG 4 H ARG 4 0.881 -12.046 -6.068 227 HA ARG 4 HA ARG 4 3.022 -9.944 -6.158 228 1HB ARG 4 2HB ARG 4 1.915 -11.667 -8.130 229 2HB ARG 4 1HB ARG 4 1.352 -10.038 -8.501 230 1HG ARG 4 2HG ARG 4 3.812 -9.319 -8.123 231 2HG ARG 4 1HG ARG 4 4.189 -11.035 -8.277 232 1HD ARG 4 2HD ARG 4 2.511 -9.614 -10.356 233 2HD ARG 4 1HD ARG 4 4.283 -9.644 -10.450 234 HE ARG 4 HE ARG 4 3.337 -12.291 -9.917 235 1HH1 ARG 4 1HH2 ARG 4 1.517 -11.079 -12.130 236 2HH1 ARG 4 2HH2 ARG 4 2.318 -11.680 -13.542 237 1HH2 ARG 4 1HH1 ARG 4 5.214 -12.562 -11.849 238 2HH2 ARG 4 2HH1 ARG 4 4.412 -12.519 -13.383 239 H ILE 5 H ILE 5 2.322 -7.965 -5.474 240 HA ILE 5 HA ILE 5 -0.626 -7.412 -5.496 241 HB ILE 5 HB ILE 5 1.641 -6.355 -3.771 242 1HG1 ILE 5 2HG1 ILE 5 -0.451 -7.706 -2.345 243 2HG1 ILE 5 1HG1 ILE 5 0.099 -8.751 -3.656 244 1HG2 ILE 5 1HG2 ILE 5 -0.145 -4.684 -4.084 245 2HG2 ILE 5 2HG2 ILE 5 -0.173 -5.319 -2.440 246 3HG2 ILE 5 3HG2 ILE 5 -1.353 -5.881 -3.623 247 1HD1 ILE 5 1HD1 ILE 5 2.273 -8.868 -2.835 248 2HD1 ILE 5 2HD1 ILE 5 1.351 -8.783 -1.333 249 3HD1 ILE 5 3HD1 ILE 5 2.137 -7.338 -1.969 250 H ILE 6 H ILE 6 -1.067 -4.961 -5.693 251 HA ILE 6 HA ILE 6 0.939 -3.600 -7.446 252 HB ILE 6 HB ILE 6 -1.933 -4.350 -7.990 253 1HG1 ILE 6 2HG1 ILE 6 0.066 -5.727 -8.763 254 2HG1 ILE 6 1HG1 ILE 6 -1.029 -5.206 -10.043 255 1HG2 ILE 6 1HG2 ILE 6 -1.949 -2.763 -9.871 256 2HG2 ILE 6 2HG2 ILE 6 -0.360 -2.164 -9.392 257 3HG2 ILE 6 3HG2 ILE 6 -1.754 -1.905 -8.344 258 1HD1 ILE 6 1HD1 ILE 6 0.456 -3.592 -10.842 259 2HD1 ILE 6 2HD1 ILE 6 1.559 -4.878 -10.350 260 3HD1 ILE 6 3HD1 ILE 6 1.314 -3.478 -9.305 261 H ARG 7 H ARG 7 1.221 -1.520 -6.758 262 HA ARG 7 HA ARG 7 -0.923 -0.291 -5.058 263 1HB ARG 7 2HB ARG 7 1.745 -0.830 -4.540 264 2HB ARG 7 1HB ARG 7 1.776 0.873 -5.001 265 1HG ARG 7 2HG ARG 7 1.387 0.851 -2.645 266 2HG ARG 7 1HG ARG 7 -0.175 1.203 -3.383 267 1HD ARG 7 2HD ARG 7 -0.912 -0.519 -2.061 268 2HD ARG 7 1HD ARG 7 -0.205 -1.549 -3.322 269 HE ARG 7 HE ARG 7 1.918 -1.522 -1.969 270 1HH1 ARG 7 1HH1 ARG 7 -0.739 -2.570 -0.543 271 2HH1 ARG 7 2HH1 ARG 7 -0.385 -2.058 1.074 272 1HH2 ARG 7 1HH2 ARG 7 2.247 -0.007 0.129 273 2HH2 ARG 7 2HH2 ARG 7 1.306 -0.607 1.454 274 H TYR 8 H TYR 8 -2.054 0.661 -6.861 275 HA TYR 8 HA TYR 8 -0.527 2.540 -8.593 276 1HB TYR 8 2HB TYR 8 -2.882 0.845 -8.764 277 2HB TYR 8 1HB TYR 8 -3.255 2.491 -9.276 278 HD1 TYR 8 HD1 TYR 8 -1.021 -0.414 -9.866 279 HD2 TYR 8 HD2 TYR 8 -2.353 3.409 -11.297 280 HE1 TYR 8 HE1 TYR 8 0.130 -0.821 -12.024 281 HE2 TYR 8 HE2 TYR 8 -1.203 3.004 -13.456 282 HH TYR 8 HH TYR 8 -0.229 1.400 -14.744 283 H PHE 9 H PHE 9 -0.828 4.764 -8.452 284 HA PHE 9 HA PHE 9 -3.055 5.842 -6.811 285 1HB PHE 9 2HB PHE 9 -1.317 5.409 -5.187 286 2HB PHE 9 1HB PHE 9 -0.095 6.136 -6.231 287 HD1 PHE 9 HD1 PHE 9 0.556 8.303 -5.729 288 HD2 PHE 9 HD2 PHE 9 -3.435 7.045 -4.766 289 HE1 PHE 9 HE1 PHE 9 0.097 10.527 -4.734 290 HE2 PHE 9 HE2 PHE 9 -3.896 9.270 -3.770 291 HZ PHE 9 HZ PHE 9 -2.130 11.011 -3.755 292 H TYR 10 H TYR 10 -3.822 6.990 -8.645 293 HA TYR 10 HA TYR 10 -2.150 8.446 -10.472 294 1HB TYR 10 2HB TYR 10 -4.422 7.718 -10.990 295 2HB TYR 10 1HB TYR 10 -5.067 8.712 -9.683 296 HD1 TYR 10 HD1 TYR 10 -4.033 8.637 -13.137 297 HD2 TYR 10 HD2 TYR 10 -4.715 11.242 -9.790 298 HE1 TYR 10 HE1 TYR 10 -4.160 10.579 -14.674 299 HE2 TYR 10 HE2 TYR 10 -4.843 13.184 -11.328 300 HH TYR 10 HH TYR 10 -4.151 13.831 -13.529 301 H ASN 11 H ASN 11 -1.319 10.495 -10.326 302 HA ASN 11 HA ASN 11 -2.392 12.644 -8.768 303 1HB ASN 11 2HB ASN 11 -1.487 10.792 -7.102 304 2HB ASN 11 1HB ASN 11 0.080 11.498 -7.498 305 1HD2 ASN 11 1HD2 ASN 11 0.540 12.744 -5.644 306 2HD2 ASN 11 2HD2 ASN 11 -0.490 13.947 -5.030 307 H ALA 12 H ALA 12 -0.018 13.997 -8.115 308 HA ALA 12 HA ALA 12 1.065 14.535 -10.820 309 1HB ALA 12 1HB ALA 12 0.613 16.548 -9.806 310 2HB ALA 12 2HB ALA 12 2.236 16.327 -9.152 311 3HB ALA 12 3HB ALA 12 0.827 15.890 -8.184 312 H LYS 13 H LYS 13 1.902 12.750 -8.029 313 HA LYS 13 HA LYS 13 4.747 13.025 -7.967 314 1HB LYS 13 2HB LYS 13 3.043 11.922 -6.350 315 2HB LYS 13 1HB LYS 13 3.208 10.496 -7.375 316 1HG LYS 13 2HG LYS 13 5.765 10.835 -7.057 317 2HG LYS 13 1HG LYS 13 5.307 11.857 -5.695 318 1HD LYS 13 2HD LYS 13 3.765 9.789 -5.084 319 2HD LYS 13 1HD LYS 13 4.943 8.906 -6.055 320 1HE LYS 13 2HE LYS 13 6.726 9.435 -4.600 321 2HE LYS 13 1HE LYS 13 5.848 10.799 -3.879 322 1HZ LYS 13 1HZ LYS 13 4.171 9.169 -3.097 323 2HZ LYS 13 2HZ LYS 13 5.700 8.952 -2.387 324 3HZ LYS 13 3HZ LYS 13 5.182 7.914 -3.628 325 H ASP 14 H ASP 14 6.360 11.982 -9.136 326 HA ASP 14 HA ASP 14 7.355 10.601 -10.783 327 1HB ASP 14 2HB ASP 14 5.054 9.238 -9.792 328 2HB ASP 14 1HB ASP 14 5.078 9.026 -11.543 329 H GLY 15 H GLY 15 4.918 12.786 -11.275 330 1HA GLY 15 2HA GLY 15 4.461 14.064 -13.210 331 2HA GLY 15 1HA GLY 15 5.511 12.983 -14.127 332 H CLH 16 H CLH 16 4.364 10.530 -13.797 333 HA CLH 16 HA CLH 16 1.594 10.916 -14.888 334 1HB CLH 16 1HB CLH 16 3.843 9.013 -15.593 335 2HB CLH 16 2HB CLH 16 3.106 10.237 -16.627 336 1HG CLH 16 1HG CLH 16 0.917 8.757 -15.938 337 2HG CLH 16 2HG CLH 16 2.167 7.512 -15.956 338 1HD CLH 16 1HD CLH 16 1.714 9.485 -18.213 339 2HD CLH 16 2HD CLH 16 1.034 7.858 -18.181 340 1HE CLH 16 1HE CLH 16 3.998 8.545 -18.085 341 2HE CLH 16 2HE CLH 16 3.132 7.842 -19.466 342 HNZ CLH 16 HNZ CLH 16 2.503 6.108 -17.434 343 1HI CLH 16 1HI CLH 16 5.471 4.146 -17.295 344 2HI CLH 16 2HI CLH 16 4.472 4.716 -15.957 345 HNJ CLH 16 HNJ CLH 16 2.488 3.981 -17.227 346 HL CLH 16 HL CLH 16 2.273 2.005 -19.747 347 2HN ABA 17 HN ABA 17 0.367 10.405 -13.066 348 HA ABA 17 HA ABA 17 -0.400 9.151 -11.199 349 1HB ABA 17 1HB ABA 17 -1.184 8.086 -13.367 350 2HB ABA 17 2HB ABA 17 -1.150 7.001 -11.978 351 1HG ABA 17 1HG ABA 17 0.836 7.176 -14.253 352 2HG ABA 17 2HG ABA 17 -0.135 5.788 -13.766 353 3HG ABA 17 3HG ABA 17 1.199 6.330 -12.749 354 H GLN 18 H GLN 18 0.153 6.532 -10.415 355 HA GLN 18 HA GLN 18 3.094 6.343 -10.006 356 1HB GLN 18 2HB GLN 18 2.327 7.782 -8.209 357 2HB GLN 18 1HB GLN 18 0.980 6.699 -7.856 358 1HG GLN 18 2HG GLN 18 3.536 5.298 -7.802 359 2HG GLN 18 1HG GLN 18 3.495 6.634 -6.651 360 1HE2 GLN 18 1HE2 GLN 18 1.946 3.559 -7.515 361 2HE2 GLN 18 2HE2 GLN 18 1.091 3.382 -6.060 362 H THR 19 H THR 19 3.736 4.174 -9.510 363 HA THR 19 HA THR 19 1.698 2.138 -8.908 364 HB THR 19 HB THR 19 3.078 2.386 -11.592 365 HG1 THR 19 HG1 THR 19 0.444 2.470 -10.620 366 1HG2 THR 19 1HG2 THR 19 1.537 0.052 -10.426 367 2HG2 THR 19 2HG2 THR 19 3.245 0.063 -10.865 368 3HG2 THR 19 3HG2 THR 19 2.011 0.197 -12.119 369 H PHE 20 H PHE 20 3.021 1.492 -7.153 370 HA PHE 20 HA PHE 20 5.413 -0.083 -7.915 371 1HB PHE 20 2HB PHE 20 6.835 1.111 -6.337 372 2HB PHE 20 1HB PHE 20 6.119 2.281 -7.443 373 HD1 PHE 20 HD1 PHE 20 4.698 4.017 -6.651 374 HD2 PHE 20 HD2 PHE 20 5.799 0.784 -4.047 375 HE1 PHE 20 HE1 PHE 20 3.727 5.238 -4.723 376 HE2 PHE 20 HE2 PHE 20 4.824 2.004 -2.121 377 HZ PHE 20 HZ PHE 20 3.788 4.231 -2.459 378 H VAL 21 H VAL 21 5.497 -1.938 -6.679 379 HA VAL 21 HA VAL 21 4.211 -1.979 -4.000 380 HB VAL 21 HB VAL 21 2.456 -2.460 -5.676 381 1HG1 VAL 21 1HG1 VAL 21 2.807 -3.810 -7.459 382 2HG1 VAL 21 2HG1 VAL 21 3.555 -5.060 -6.465 383 3HG1 VAL 21 3HG1 VAL 21 4.519 -3.703 -7.049 384 1HG2 VAL 21 1HG2 VAL 21 3.238 -5.055 -4.332 385 2HG2 VAL 21 2HG2 VAL 21 1.617 -4.432 -4.639 386 3HG2 VAL 21 3HG2 VAL 21 2.634 -3.676 -3.414 387 H TYR 22 H TYR 22 4.537 -4.278 -3.027 388 HA TYR 22 HA TYR 22 7.356 -5.004 -3.300 389 1HB TYR 22 2HB TYR 22 6.495 -5.072 -1.115 390 2HB TYR 22 1HB TYR 22 4.978 -5.802 -1.633 391 HD1 TYR 22 HD1 TYR 22 8.659 -6.574 -1.726 392 HD2 TYR 22 HD2 TYR 22 4.666 -8.053 -1.155 393 HE1 TYR 22 HE1 TYR 22 9.564 -8.828 -1.218 394 HE2 TYR 22 HE2 TYR 22 5.571 -10.306 -0.649 395 HH TYR 22 HH TYR 22 8.602 -11.277 -1.393 396 H GLY 23 H GLY 23 7.650 -5.966 -5.365 397 1HA GLY 23 2HA GLY 23 5.863 -7.933 -6.473 398 2HA GLY 23 1HA GLY 23 7.516 -7.635 -7.013 399 H GLY 24 H GLY 24 6.254 -10.238 -6.664 400 1HA GLY 24 2HA GLY 24 7.774 -11.315 -4.332 401 2HA GLY 24 1HA GLY 24 6.421 -12.135 -5.113 402 H CYS 25 H CYS 25 6.790 -12.901 -7.364 403 HA CYS 25 HA CYS 25 9.642 -13.200 -8.153 404 1HB CYS 25 2HB CYS 25 9.357 -15.662 -8.235 405 2HB CYS 25 1HB CYS 25 9.102 -15.047 -6.601 406 1HN NH2 26 1H CYS 25 8.153 -11.647 -9.735 407 2HN NH2 26 2H CYS 25 7.527 -12.463 -11.086 Start of MODEL 12 1 1HA MPT 1 1HA MPT 1 -0.586 -11.450 -0.402 2 2HA MPT 1 2HA MPT 1 -2.215 -10.953 0.080 3 1HB MPT 1 1HB MPT 1 -0.761 -13.560 0.459 4 2HB MPT 1 2HB MPT 1 -2.516 -13.594 0.302 5 H LYS 2 H LYS 2 -3.994 -11.572 -1.253 6 HA LYS 2 HA LYS 2 -3.280 -12.731 -3.908 7 1HB LYS 2 2HB LYS 2 -5.867 -12.710 -2.349 8 2HB LYS 2 1HB LYS 2 -5.601 -13.532 -3.888 9 1HG LYS 2 2HG LYS 2 -3.623 -14.182 -1.796 10 2HG LYS 2 1HG LYS 2 -5.269 -14.709 -1.440 11 1HD LYS 2 2HD LYS 2 -4.870 -15.327 -4.152 12 2HD LYS 2 1HD LYS 2 -3.377 -15.806 -3.343 13 1HE LYS 2 2HE LYS 2 -6.131 -16.581 -2.325 14 2HE LYS 2 1HE LYS 2 -5.145 -17.620 -3.375 15 1HZ LYS 2 1HZ LYS 2 -3.310 -17.350 -1.767 16 2HZ LYS 2 2HZ LYS 2 -4.653 -18.144 -1.097 17 3HZ LYS 2 3HZ LYS 2 -4.359 -16.511 -0.732 18 H ALA 3 H ALA 3 -6.315 -11.644 -3.925 19 HA ALA 3 HA ALA 3 -5.609 -9.083 -5.265 20 1HB ALA 3 1HB ALA 3 -7.850 -9.534 -6.409 21 2HB ALA 3 2HB ALA 3 -7.836 -11.109 -5.618 22 3HB ALA 3 3HB ALA 3 -6.572 -10.692 -6.775 23 H CLG 4 H CLG 4 -5.671 -8.125 -3.072 24 HA CLG 4 HA CLG 4 -7.877 -8.119 -1.307 25 1HB CLG 4 1HB CLG 4 -6.000 -5.815 -1.882 26 2HB CLG 4 2HB CLG 4 -5.546 -7.225 -0.931 27 1HG CLG 4 1HG CLG 4 -7.459 -6.754 0.602 28 2HG CLG 4 2HG CLG 4 -7.794 -5.287 -0.318 29 1HD CLG 4 1HD CLG 4 -5.040 -5.198 0.269 30 2HD CLG 4 2HD CLG 4 -5.824 -5.728 1.758 31 1HE CLG 4 1HE CLG 4 -6.338 -3.538 2.111 32 2HE CLG 4 2HE CLG 4 -7.481 -3.682 0.762 33 HNZ CLG 4 HNZ CLG 4 -5.021 -3.338 -0.476 34 1HI CLG 4 1HI CLG 4 -3.638 -1.347 -0.553 35 2HI CLG 4 2HI CLG 4 -5.032 -0.687 -1.408 36 HNJ CLG 4 HNJ CLG 4 -5.052 0.950 0.684 37 1HL CLG 4 1HL CLG 4 -3.675 3.145 0.334 38 2HL CLG 4 2HL CLG 4 -3.155 2.341 1.814 39 H ILE 5 H ILE 5 -9.286 -7.942 -3.666 40 HA ILE 5 HA ILE 5 -10.981 -6.687 -4.725 41 HB ILE 5 HB ILE 5 -10.498 -4.753 -2.445 42 1HG1 ILE 5 2HG1 ILE 5 -10.564 -7.081 -1.585 43 2HG1 ILE 5 1HG1 ILE 5 -11.998 -6.172 -1.103 44 1HG2 ILE 5 1HG2 ILE 5 -12.166 -3.851 -3.806 45 2HG2 ILE 5 2HG2 ILE 5 -13.121 -4.812 -2.677 46 3HG2 ILE 5 3HG2 ILE 5 -12.769 -5.436 -4.289 47 1HD1 ILE 5 1HD1 ILE 5 -11.787 -8.168 -3.373 48 2HD1 ILE 5 2HD1 ILE 5 -13.195 -7.143 -3.094 49 3HD1 ILE 5 3HD1 ILE 5 -12.725 -8.343 -1.889 50 H ILE 6 H ILE 6 -11.222 -4.793 -6.089 51 HA ILE 6 HA ILE 6 -8.624 -3.468 -6.696 52 HB ILE 6 HB ILE 6 -9.795 -4.637 -8.490 53 1HG1 ILE 6 2HG1 ILE 6 -10.514 -1.872 -9.251 54 2HG1 ILE 6 1HG1 ILE 6 -8.871 -2.064 -8.637 55 1HG2 ILE 6 1HG2 ILE 6 -12.094 -3.066 -8.923 56 2HG2 ILE 6 2HG2 ILE 6 -12.097 -3.445 -7.201 57 3HG2 ILE 6 3HG2 ILE 6 -12.043 -4.746 -8.390 58 1HD1 ILE 6 1HD1 ILE 6 -8.203 -3.293 -10.437 59 2HD1 ILE 6 2HD1 ILE 6 -9.579 -2.523 -11.229 60 3HD1 ILE 6 3HD1 ILE 6 -9.745 -4.143 -10.551 61 H ARG 7 H ARG 7 -8.332 -1.311 -6.243 62 HA ARG 7 HA ARG 7 -10.712 0.245 -5.295 63 1HB ARG 7 2HB ARG 7 -7.853 -0.014 -4.530 64 2HB ARG 7 1HB ARG 7 -8.530 1.612 -4.429 65 1HG ARG 7 2HG ARG 7 -10.526 0.400 -3.219 66 2HG ARG 7 1HG ARG 7 -9.331 -0.866 -2.934 67 1HD ARG 7 2HD ARG 7 -7.939 1.446 -2.279 68 2HD ARG 7 1HD ARG 7 -9.572 1.762 -1.659 69 HE ARG 7 HE ARG 7 -7.762 -0.128 -0.523 70 1HH1 ARG 7 1HH2 ARG 7 -10.452 0.907 0.568 71 2HH1 ARG 7 2HH2 ARG 7 -11.324 -0.582 0.722 72 1HH2 ARG 7 1HH1 ARG 7 -9.125 -2.383 -1.265 73 2HH2 ARG 7 2HH1 ARG 7 -10.574 -2.444 -0.317 74 H TYR 8 H TYR 8 -11.419 1.310 -7.160 75 HA TYR 8 HA TYR 8 -9.363 2.834 -8.725 76 1HB TYR 8 2HB TYR 8 -11.864 1.337 -9.351 77 2HB TYR 8 1HB TYR 8 -11.540 2.778 -10.316 78 HD1 TYR 8 HD1 TYR 8 -9.508 -0.041 -8.877 79 HD2 TYR 8 HD2 TYR 8 -10.440 2.359 -12.316 80 HE1 TYR 8 HE1 TYR 8 -7.844 -1.306 -10.211 81 HE2 TYR 8 HE2 TYR 8 -8.774 1.094 -13.650 82 HH TYR 8 HH TYR 8 -6.550 -1.132 -12.177 83 H PHE 9 H PHE 9 -9.545 5.054 -8.708 84 HA PHE 9 HA PHE 9 -12.147 6.304 -7.984 85 1HB PHE 9 2HB PHE 9 -9.506 6.608 -6.524 86 2HB PHE 9 1HB PHE 9 -10.873 7.698 -6.288 87 HD1 PHE 9 HD1 PHE 9 -13.224 6.279 -6.055 88 HD2 PHE 9 HD2 PHE 9 -9.303 4.940 -4.921 89 HE1 PHE 9 HE1 PHE 9 -14.234 4.668 -4.463 90 HE2 PHE 9 HE2 PHE 9 -10.314 3.329 -3.328 91 HZ PHE 9 HZ PHE 9 -12.779 3.194 -3.099 92 H TYR 10 H TYR 10 -11.610 6.651 -10.457 93 HA TYR 10 HA TYR 10 -9.532 8.432 -11.280 94 1HB TYR 10 2HB TYR 10 -11.150 6.897 -12.600 95 2HB TYR 10 1HB TYR 10 -12.287 8.243 -12.508 96 HD1 TYR 10 HD1 TYR 10 -10.998 10.636 -12.976 97 HD2 TYR 10 HD2 TYR 10 -9.931 6.795 -14.574 98 HE1 TYR 10 HE1 TYR 10 -9.843 11.746 -14.871 99 HE2 TYR 10 HE2 TYR 10 -8.775 7.904 -16.468 100 HH TYR 10 HH TYR 10 -9.044 11.340 -17.026 101 H ASN 11 H ASN 11 -9.608 10.087 -9.532 102 HA ASN 11 HA ASN 11 -11.968 11.847 -9.395 103 1HB ASN 11 2HB ASN 11 -9.434 11.346 -7.957 104 2HB ASN 11 1HB ASN 11 -9.947 13.034 -7.967 105 1HD2 ASN 11 1HD2 ASN 11 -11.795 9.933 -7.771 106 2HD2 ASN 11 2HD2 ASN 11 -12.651 10.366 -6.371 107 H ALA 12 H ALA 12 -11.858 12.537 -11.711 108 HA ALA 12 HA ALA 12 -9.660 13.835 -12.935 109 1HB ALA 12 1HB ALA 12 -12.632 13.797 -13.177 110 2HB ALA 12 2HB ALA 12 -11.405 13.412 -14.384 111 3HB ALA 12 3HB ALA 12 -11.783 15.095 -14.016 112 H LYS 13 H LYS 13 -12.163 15.129 -10.762 113 HA LYS 13 HA LYS 13 -11.720 17.884 -10.950 114 1HB LYS 13 2HB LYS 13 -13.445 16.935 -9.552 115 2HB LYS 13 1HB LYS 13 -12.257 16.066 -8.582 116 1HG LYS 13 2HG LYS 13 -11.284 18.326 -7.950 117 2HG LYS 13 1HG LYS 13 -12.701 19.058 -8.706 118 1HD LYS 13 2HD LYS 13 -12.882 16.956 -6.534 119 2HD LYS 13 1HD LYS 13 -12.905 18.689 -6.206 120 1HE LYS 13 2HE LYS 13 -14.922 18.978 -7.534 121 2HE LYS 13 1HE LYS 13 -14.859 17.284 -8.063 122 1HZ LYS 13 1HZ LYS 13 -16.339 17.638 -6.127 123 2HZ LYS 13 2HZ LYS 13 -14.995 18.148 -5.223 124 3HZ LYS 13 3HZ LYS 13 -15.074 16.555 -5.807 125 H ASP 14 H ASP 14 -10.382 16.216 -8.127 126 HA ASP 14 HA ASP 14 -8.098 18.013 -8.012 127 1HB ASP 14 2HB ASP 14 -9.306 16.922 -6.080 128 2HB ASP 14 1HB ASP 14 -8.613 15.381 -6.587 129 H GLY 15 H GLY 15 -8.781 15.385 -9.977 130 1HA GLY 15 2HA GLY 15 -7.434 14.058 -11.367 131 2HA GLY 15 1HA GLY 15 -6.144 15.221 -11.060 132 H LEU 16 H LEU 16 -7.811 12.455 -9.535 133 HA LEU 16 HA LEU 16 -5.171 11.498 -8.552 134 1HB LEU 16 2HB LEU 16 -6.719 13.053 -6.966 135 2HB LEU 16 1HB LEU 16 -7.421 11.475 -6.604 136 HG LEU 16 HG LEU 16 -4.598 11.141 -6.630 137 1HD1 LEU 16 1HD1 LEU 16 -5.553 13.698 -5.408 138 2HD1 LEU 16 2HD1 LEU 16 -4.009 13.332 -6.178 139 3HD1 LEU 16 3HD1 LEU 16 -4.330 12.773 -4.537 140 1HD2 LEU 16 1HD2 LEU 16 -6.888 10.903 -4.765 141 2HD2 LEU 16 2HD2 LEU 16 -5.309 11.068 -3.998 142 3HD2 LEU 16 3HD2 LEU 16 -5.607 9.746 -5.127 143 2HN ABA 17 HN ABA 17 -6.028 10.035 -10.457 144 HA ABA 17 HA ABA 17 -8.226 8.221 -9.904 145 1HB ABA 17 1HB ABA 17 -5.873 8.145 -11.822 146 2HB ABA 17 2HB ABA 17 -7.479 8.790 -12.164 147 1HG ABA 17 1HG ABA 17 -7.830 6.693 -13.013 148 2HG ABA 17 2HG ABA 17 -8.134 6.292 -11.324 149 3HG ABA 17 3HG ABA 17 -6.552 5.972 -12.035 150 H GLN 18 H GLN 18 -7.468 7.587 -7.663 151 HA GLN 18 HA GLN 18 -5.045 6.146 -7.184 152 1HB GLN 18 2HB GLN 18 -7.758 5.883 -5.848 153 2HB GLN 18 1HB GLN 18 -6.195 5.498 -5.128 154 1HG GLN 18 2HG GLN 18 -5.773 7.664 -4.632 155 2HG GLN 18 1HG GLN 18 -6.301 8.214 -6.222 156 1HE2 GLN 18 1HE2 GLN 18 -7.911 9.755 -5.845 157 2HE2 GLN 18 2HE2 GLN 18 -9.220 9.547 -4.786 158 H THR 19 H THR 19 -4.545 3.969 -7.456 159 HA THR 19 HA THR 19 -6.720 2.118 -8.338 160 HB THR 19 HB THR 19 -4.027 2.221 -9.692 161 HG1 THR 19 HG1 THR 19 -4.666 3.830 -10.920 162 1HG2 THR 19 1HG2 THR 19 -5.193 0.294 -10.330 163 2HG2 THR 19 2HG2 THR 19 -5.637 1.440 -11.596 164 3HG2 THR 19 3HG2 THR 19 -6.758 1.108 -10.275 165 H PHE 20 H PHE 20 -6.360 1.317 -6.076 166 HA PHE 20 HA PHE 20 -3.770 -0.117 -5.678 167 1HB PHE 20 2HB PHE 20 -6.059 0.755 -3.899 168 2HB PHE 20 1HB PHE 20 -4.773 -0.304 -3.322 169 HD1 PHE 20 HD1 PHE 20 -5.449 3.032 -4.831 170 HD2 PHE 20 HD2 PHE 20 -2.641 0.557 -2.727 171 HE1 PHE 20 HE1 PHE 20 -3.994 5.004 -4.454 172 HE2 PHE 20 HE2 PHE 20 -1.184 2.529 -2.350 173 HZ PHE 20 HZ PHE 20 -1.862 4.753 -3.214 174 H VAL 21 H VAL 21 -3.788 -2.270 -6.223 175 HA VAL 21 HA VAL 21 -6.206 -3.891 -5.581 176 HB VAL 21 HB VAL 21 -4.834 -3.974 -8.280 177 1HG1 VAL 21 1HG1 VAL 21 -6.364 -5.856 -7.254 178 2HG1 VAL 21 2HG1 VAL 21 -6.596 -5.361 -8.931 179 3HG1 VAL 21 3HG1 VAL 21 -7.672 -4.751 -7.675 180 1HG2 VAL 21 1HG2 VAL 21 -6.804 -2.650 -9.092 181 2HG2 VAL 21 2HG2 VAL 21 -5.750 -1.731 -8.017 182 3HG2 VAL 21 3HG2 VAL 21 -7.271 -2.387 -7.412 183 H TYR 22 H TYR 22 -5.055 -5.143 -4.056 184 HA TYR 22 HA TYR 22 -3.389 -7.270 -5.026 185 1HB TYR 22 2HB TYR 22 -1.225 -6.503 -4.424 186 2HB TYR 22 1HB TYR 22 -1.954 -5.133 -5.249 187 HD1 TYR 22 HD1 TYR 22 -2.519 -3.109 -4.084 188 HD2 TYR 22 HD2 TYR 22 -1.053 -6.521 -1.929 189 HE1 TYR 22 HE1 TYR 22 -2.216 -1.701 -2.065 190 HE2 TYR 22 HE2 TYR 22 -0.750 -5.116 0.091 191 HH TYR 22 HH TYR 22 -2.016 -2.722 0.872 192 H GLY 23 H GLY 23 -3.338 -8.858 -3.449 193 1HA GLY 23 2HA GLY 23 -4.931 -8.856 -1.196 194 2HA GLY 23 1HA GLY 23 -3.470 -9.828 -1.301 195 H GLY 24 H GLY 24 -4.885 -7.806 0.746 196 1HA GLY 24 2HA GLY 24 -2.367 -6.372 1.475 197 2HA GLY 24 1HA GLY 24 -3.982 -5.865 1.971 198 H CYS 25 H CYS 25 -2.520 -9.113 2.077 199 HA CYS 25 HA CYS 25 -2.832 -9.041 5.061 200 1HB CYS 25 2HB CYS 25 -3.437 -11.518 4.715 201 2HB CYS 25 1HB CYS 25 -4.634 -10.339 4.183 202 1HN NH2 26 1H CYS 25 -0.396 -8.723 3.170 203 2HN NH2 26 2H CYS 25 0.690 -9.917 3.691 204 1HA MPT 1 1HA MPT 1 4.761 -11.433 -13.201 205 2HA MPT 1 2HA MPT 1 4.261 -13.126 -13.321 206 1HB MPT 1 1HB MPT 1 2.907 -10.892 -11.756 207 2HB MPT 1 2HB MPT 1 2.383 -12.576 -11.757 208 H LYS 2 H LYS 2 4.144 -11.147 -10.374 209 HA LYS 2 HA LYS 2 6.162 -12.976 -9.156 210 1HB LYS 2 2HB LYS 2 5.729 -10.030 -8.639 211 2HB LYS 2 1HB LYS 2 7.047 -11.028 -8.025 212 1HG LYS 2 2HG LYS 2 6.572 -10.720 -10.988 213 2HG LYS 2 1HG LYS 2 7.535 -9.548 -10.089 214 1HD LYS 2 2HD LYS 2 8.985 -11.400 -9.277 215 2HD LYS 2 1HD LYS 2 8.056 -12.529 -10.264 216 1HE LYS 2 2HE LYS 2 9.185 -11.936 -12.142 217 2HE LYS 2 1HE LYS 2 8.955 -10.208 -11.807 218 1HZ LYS 2 1HZ LYS 2 10.848 -11.893 -10.272 219 2HZ LYS 2 2HZ LYS 2 10.748 -10.197 -10.306 220 3HZ LYS 2 3HZ LYS 2 11.319 -11.046 -11.663 221 H ALA 3 H ALA 3 5.291 -10.856 -6.946 222 HA ALA 3 HA ALA 3 3.492 -12.695 -5.551 223 1HB ALA 3 1HB ALA 3 3.785 -11.094 -3.730 224 2HB ALA 3 2HB ALA 3 4.440 -9.899 -4.850 225 3HB ALA 3 3HB ALA 3 5.347 -11.372 -4.503 226 H ARG 4 H ARG 4 1.891 -10.764 -4.202 227 HA ARG 4 HA ARG 4 0.158 -9.720 -6.420 228 1HB ARG 4 2HB ARG 4 -0.722 -10.987 -3.809 229 2HB ARG 4 1HB ARG 4 -1.752 -10.552 -5.173 230 1HG ARG 4 2HG ARG 4 0.519 -12.544 -5.385 231 2HG ARG 4 1HG ARG 4 -1.148 -13.011 -5.041 232 1HD ARG 4 2HD ARG 4 -1.801 -11.729 -7.166 233 2HD ARG 4 1HD ARG 4 -0.067 -11.698 -7.547 234 HE ARG 4 HE ARG 4 -1.741 -14.003 -7.810 235 1HH1 ARG 4 1HH2 ARG 4 1.329 -13.159 -8.375 236 2HH1 ARG 4 2HH2 ARG 4 2.083 -14.609 -7.799 237 1HH2 ARG 4 1HH1 ARG 4 -0.791 -15.814 -6.279 238 2HH2 ARG 4 2HH1 ARG 4 0.882 -16.112 -6.613 239 H ILE 5 H ILE 5 1.849 -7.892 -5.434 240 HA ILE 5 HA ILE 5 0.236 -6.364 -3.422 241 HB ILE 5 HB ILE 5 2.232 -5.746 -2.328 242 1HG1 ILE 5 2HG1 ILE 5 4.390 -6.785 -3.765 243 2HG1 ILE 5 1HG1 ILE 5 3.360 -6.054 -4.999 244 1HG2 ILE 5 1HG2 ILE 5 3.385 -8.337 -3.047 245 2HG2 ILE 5 2HG2 ILE 5 1.657 -8.433 -2.708 246 3HG2 ILE 5 3HG2 ILE 5 2.757 -7.778 -1.496 247 1HD1 ILE 5 1HD1 ILE 5 3.990 -3.994 -4.352 248 2HD1 ILE 5 2HD1 ILE 5 5.099 -4.725 -3.192 249 3HD1 ILE 5 3HD1 ILE 5 3.452 -4.323 -2.705 250 H ILE 6 H ILE 6 -0.240 -6.040 -6.172 251 HA ILE 6 HA ILE 6 1.379 -3.759 -7.123 252 HB ILE 6 HB ILE 6 0.620 -5.647 -8.573 253 1HG1 ILE 6 2HG1 ILE 6 -0.046 -4.253 -10.446 254 2HG1 ILE 6 1HG1 ILE 6 -0.612 -2.988 -9.355 255 1HG2 ILE 6 1HG2 ILE 6 -1.597 -5.932 -7.447 256 2HG2 ILE 6 2HG2 ILE 6 -1.727 -5.805 -9.201 257 3HG2 ILE 6 3HG2 ILE 6 -2.125 -4.421 -8.186 258 1HD1 ILE 6 1HD1 ILE 6 1.629 -2.552 -8.580 259 2HD1 ILE 6 2HD1 ILE 6 1.676 -2.564 -10.343 260 3HD1 ILE 6 3HD1 ILE 6 2.256 -3.961 -9.435 261 H ARG 7 H ARG 7 0.778 -1.664 -6.914 262 HA ARG 7 HA ARG 7 -2.032 -0.849 -6.682 263 1HB ARG 7 2HB ARG 7 -1.482 0.256 -4.424 264 2HB ARG 7 1HB ARG 7 -1.682 -1.494 -4.413 265 1HG ARG 7 2HG ARG 7 0.618 -1.890 -4.220 266 2HG ARG 7 1HG ARG 7 1.041 -0.296 -4.848 267 1HD ARG 7 2HD ARG 7 0.348 0.785 -2.807 268 2HD ARG 7 1HD ARG 7 -0.375 -0.717 -2.195 269 HE ARG 7 HE ARG 7 2.545 -0.208 -2.485 270 1HH1 ARG 7 1HH1 ARG 7 1.675 -3.063 -3.083 271 2HH1 ARG 7 2HH1 ARG 7 1.854 -3.803 -1.528 272 1HH2 ARG 7 1HH2 ARG 7 2.014 -0.790 0.181 273 2HH2 ARG 7 2HH2 ARG 7 2.046 -2.516 0.321 274 H TYR 8 H TYR 8 -2.064 0.990 -7.932 275 HA TYR 8 HA TYR 8 0.241 2.882 -7.662 276 1HB TYR 8 2HB TYR 8 -0.298 3.256 -10.212 277 2HB TYR 8 1HB TYR 8 0.689 1.885 -9.718 278 HD1 TYR 8 HD1 TYR 8 -2.293 2.924 -11.411 279 HD2 TYR 8 HD2 TYR 8 -0.500 -0.364 -9.309 280 HE1 TYR 8 HE1 TYR 8 -3.917 1.373 -12.455 281 HE2 TYR 8 HE2 TYR 8 -2.125 -1.916 -10.350 282 HH TYR 8 HH TYR 8 -3.796 -1.341 -12.974 283 H PHE 9 H PHE 9 -0.323 5.099 -7.850 284 HA PHE 9 HA PHE 9 -3.171 5.783 -8.328 285 1HB PHE 9 2HB PHE 9 -3.464 6.687 -6.136 286 2HB PHE 9 1HB PHE 9 -2.697 5.118 -5.893 287 HD1 PHE 9 HD1 PHE 9 -2.474 8.628 -5.262 288 HD2 PHE 9 HD2 PHE 9 -0.107 5.077 -5.750 289 HE1 PHE 9 HE1 PHE 9 -0.582 9.729 -4.095 290 HE2 PHE 9 HE2 PHE 9 1.785 6.178 -4.585 291 HZ PHE 9 HZ PHE 9 1.548 8.505 -3.757 292 H TYR 10 H TYR 10 -3.242 7.677 -9.471 293 HA TYR 10 HA TYR 10 -0.763 9.256 -9.799 294 1HB TYR 10 2HB TYR 10 -2.608 8.430 -11.531 295 2HB TYR 10 1HB TYR 10 -3.407 9.925 -11.044 296 HD1 TYR 10 HD1 TYR 10 -2.404 12.109 -11.507 297 HD2 TYR 10 HD2 TYR 10 -0.462 8.469 -12.703 298 HE1 TYR 10 HE1 TYR 10 -0.883 13.403 -12.976 299 HE2 TYR 10 HE2 TYR 10 1.059 9.764 -14.173 300 HH TYR 10 HH TYR 10 1.478 13.045 -13.947 301 H ASN 11 H ASN 11 -0.800 11.614 -9.501 302 HA ASN 11 HA ASN 11 -3.001 12.711 -7.828 303 1HB ASN 11 2HB ASN 11 -0.374 11.819 -6.923 304 2HB ASN 11 1HB ASN 11 -0.647 13.521 -6.546 305 1HD2 ASN 11 1HD2 ASN 11 -2.473 10.403 -6.398 306 2HD2 ASN 11 2HD2 ASN 11 -3.219 10.746 -4.913 307 H ALA 12 H ALA 12 -2.280 15.146 -7.290 308 HA ALA 12 HA ALA 12 -2.280 16.710 -9.562 309 1HB ALA 12 1HB ALA 12 -1.351 16.987 -6.756 310 2HB ALA 12 2HB ALA 12 -2.511 17.965 -7.656 311 3HB ALA 12 3HB ALA 12 -0.780 18.227 -7.874 312 H LYS 13 H LYS 13 -0.832 17.124 -11.190 313 HA LYS 13 HA LYS 13 1.681 15.754 -11.401 314 1HB LYS 13 2HB LYS 13 0.245 17.977 -12.833 315 2HB LYS 13 1HB LYS 13 1.899 17.570 -13.292 316 1HG LYS 13 2HG LYS 13 0.462 15.124 -13.018 317 2HG LYS 13 1HG LYS 13 -0.523 16.211 -13.999 318 1HD LYS 13 2HD LYS 13 2.400 15.568 -14.495 319 2HD LYS 13 1HD LYS 13 1.040 14.910 -15.406 320 1HE LYS 13 2HE LYS 13 0.921 17.828 -15.243 321 2HE LYS 13 1HE LYS 13 2.404 17.255 -16.032 322 1HZ LYS 13 1HZ LYS 13 -0.394 16.525 -16.698 323 2HZ LYS 13 2HZ LYS 13 0.952 15.676 -17.292 324 3HZ LYS 13 3HZ LYS 13 0.731 17.312 -17.693 325 H ASP 14 H ASP 14 2.255 16.667 -9.056 326 HA ASP 14 HA ASP 14 4.528 18.347 -9.260 327 1HB ASP 14 2HB ASP 14 3.114 20.153 -9.877 328 2HB ASP 14 1HB ASP 14 1.878 19.693 -8.707 329 H GLY 15 H GLY 15 1.825 17.195 -7.319 330 1HA GLY 15 2HA GLY 15 3.394 17.501 -4.822 331 2HA GLY 15 1HA GLY 15 1.703 17.006 -4.921 332 H CLH 16 H CLH 16 1.583 14.860 -6.446 333 HA CLH 16 HA CLH 16 3.804 12.995 -5.886 334 1HB CLH 16 1HB CLH 16 1.063 12.360 -4.800 335 2HB CLH 16 2HB CLH 16 2.203 13.312 -3.847 336 1HG CLH 16 1HG CLH 16 3.876 11.368 -4.460 337 2HG CLH 16 2HG CLH 16 2.396 10.450 -4.740 338 1HD CLH 16 1HD CLH 16 1.625 11.028 -2.456 339 2HD CLH 16 2HD CLH 16 3.126 11.913 -2.182 340 1HE CLH 16 1HE CLH 16 4.401 9.961 -2.064 341 2HE CLH 16 2HE CLH 16 3.273 9.044 -3.083 342 HNZ CLH 16 HNZ CLH 16 2.446 9.970 -0.356 343 1HI CLH 16 1HI CLH 16 2.239 7.391 1.065 344 2HI CLH 16 2HI CLH 16 0.945 8.528 0.679 345 HNJ CLH 16 HNJ CLH 16 0.731 6.013 -0.786 346 HL CLH 16 HL CLH 16 -1.429 5.188 -0.611 347 2HN ABA 17 HN ABA 17 3.423 10.888 -6.949 348 HA ABA 17 HA ABA 17 1.172 10.123 -8.457 349 1HB ABA 17 1HB ABA 17 1.247 12.129 -9.711 350 2HB ABA 17 2HB ABA 17 2.089 10.977 -10.746 351 1HG ABA 17 1HG ABA 17 3.784 12.479 -10.762 352 2HG ABA 17 2HG ABA 17 4.113 11.938 -9.116 353 3HG ABA 17 3HG ABA 17 3.116 13.367 -9.393 354 H GLN 18 H GLN 18 1.686 7.981 -8.770 355 HA GLN 18 HA GLN 18 3.986 7.124 -10.270 356 1HB GLN 18 2HB GLN 18 4.519 7.916 -7.653 357 2HB GLN 18 1HB GLN 18 4.428 6.158 -7.546 358 1HG GLN 18 2HG GLN 18 6.352 5.877 -8.708 359 2HG GLN 18 1HG GLN 18 5.908 7.100 -9.900 360 1HE2 GLN 18 1HE2 GLN 18 7.312 8.852 -9.863 361 2HE2 GLN 18 2HE2 GLN 18 8.103 9.445 -8.483 362 H THR 19 H THR 19 4.243 4.691 -10.136 363 HA THR 19 HA THR 19 1.732 3.345 -9.214 364 HB THR 19 HB THR 19 3.170 3.347 -11.861 365 HG1 THR 19 HG1 THR 19 1.418 4.408 -12.234 366 1HG2 THR 19 1HG2 THR 19 2.110 0.998 -10.526 367 2HG2 THR 19 2HG2 THR 19 2.975 1.115 -12.058 368 3HG2 THR 19 3HG2 THR 19 1.226 1.337 -12.014 369 H PHE 20 H PHE 20 2.064 1.279 -8.310 370 HA PHE 20 HA PHE 20 4.862 0.610 -7.620 371 1HB PHE 20 2HB PHE 20 2.121 -0.399 -6.826 372 2HB PHE 20 1HB PHE 20 3.605 -1.128 -6.223 373 HD1 PHE 20 HD1 PHE 20 4.180 -0.443 -4.094 374 HD2 PHE 20 HD2 PHE 20 2.352 2.398 -6.748 375 HE1 PHE 20 HE1 PHE 20 4.342 1.300 -2.343 376 HE2 PHE 20 HE2 PHE 20 2.519 4.140 -5.001 377 HZ PHE 20 HZ PHE 20 3.515 3.595 -2.795 378 H VAL 21 H VAL 21 5.712 -1.569 -8.021 379 HA VAL 21 HA VAL 21 4.295 -3.095 -10.173 380 HB VAL 21 HB VAL 21 6.546 -3.299 -11.275 381 1HG1 VAL 21 1HG1 VAL 21 6.240 -1.341 -12.447 382 2HG1 VAL 21 2HG1 VAL 21 6.082 -0.367 -10.985 383 3HG1 VAL 21 3HG1 VAL 21 4.725 -1.344 -11.545 384 1HG2 VAL 21 1HG2 VAL 21 7.368 -2.153 -8.787 385 2HG2 VAL 21 2HG2 VAL 21 7.781 -1.016 -10.071 386 3HG2 VAL 21 3HG2 VAL 21 8.383 -2.673 -10.132 387 H TYR 22 H TYR 22 3.832 -4.935 -8.952 388 HA TYR 22 HA TYR 22 6.005 -6.736 -8.289 389 1HB TYR 22 2HB TYR 22 4.866 -4.885 -6.270 390 2HB TYR 22 1HB TYR 22 5.050 -6.558 -5.744 391 HD1 TYR 22 HD1 TYR 22 6.659 -3.539 -5.653 392 HD2 TYR 22 HD2 TYR 22 7.403 -7.600 -6.840 393 HE1 TYR 22 HE1 TYR 22 9.094 -3.179 -5.357 394 HE2 TYR 22 HE2 TYR 22 9.839 -7.240 -6.543 395 HH TYR 22 HH TYR 22 11.442 -5.612 -6.327 396 H GLY 23 H GLY 23 2.601 -5.834 -7.873 397 1HA GLY 23 2HA GLY 23 1.885 -8.705 -7.564 398 2HA GLY 23 1HA GLY 23 0.808 -7.348 -7.237 399 H GLY 24 H GLY 24 2.066 -6.263 -9.931 400 1HA GLY 24 2HA GLY 24 -0.089 -7.427 -11.591 401 2HA GLY 24 1HA GLY 24 0.862 -5.995 -11.991 402 H CYS 25 H CYS 25 2.654 -6.246 -13.285 403 HA CYS 25 HA CYS 25 4.196 -8.658 -13.527 404 1HB CYS 25 2HB CYS 25 1.659 -8.784 -14.670 405 2HB CYS 25 1HB CYS 25 2.711 -8.422 -16.039 406 1HN NH2 26 1H CYS 25 4.558 -8.276 -16.506 407 2HN NH2 26 2H CYS 25 5.390 -6.808 -16.681 Start of MODEL 13 1 1HA MPT 1 1HA MPT 1 -5.712 -14.643 -4.310 2 2HA MPT 1 2HA MPT 1 -6.055 -14.138 -2.649 3 1HB MPT 1 1HB MPT 1 -6.806 -16.532 -3.901 4 2HB MPT 1 2HB MPT 1 -8.284 -15.568 -3.897 5 H LYS 2 H LYS 2 -5.808 -12.101 -4.382 6 HA LYS 2 HA LYS 2 -6.950 -10.190 -5.178 7 1HB LYS 2 2HB LYS 2 -7.443 -11.695 -7.011 8 2HB LYS 2 1HB LYS 2 -8.723 -12.478 -6.085 9 1HG LYS 2 2HG LYS 2 -9.130 -9.602 -6.217 10 2HG LYS 2 1HG LYS 2 -9.026 -10.309 -7.829 11 1HD LYS 2 2HD LYS 2 -11.020 -11.355 -7.611 12 2HD LYS 2 1HD LYS 2 -10.627 -11.929 -5.991 13 1HE LYS 2 2HE LYS 2 -11.974 -10.340 -5.104 14 2HE LYS 2 1HE LYS 2 -10.999 -9.077 -5.883 15 1HZ LYS 2 1HZ LYS 2 -13.327 -9.116 -6.674 16 2HZ LYS 2 2HZ LYS 2 -13.078 -10.689 -7.267 17 3HZ LYS 2 3HZ LYS 2 -12.205 -9.384 -7.917 18 H ALA 3 H ALA 3 -7.348 -9.946 -2.667 19 HA ALA 3 HA ALA 3 -10.257 -10.201 -2.054 20 1HB ALA 3 1HB ALA 3 -9.370 -9.804 0.313 21 2HB ALA 3 2HB ALA 3 -7.752 -9.899 -0.381 22 3HB ALA 3 3HB ALA 3 -8.828 -11.294 -0.458 23 H CLG 4 H CLG 4 -8.898 -8.099 -3.688 24 HA CLG 4 HA CLG 4 -10.404 -5.847 -3.156 25 1HB CLG 4 1HB CLG 4 -8.116 -4.728 -1.950 26 2HB CLG 4 2HB CLG 4 -8.364 -6.274 -1.141 27 1HG CLG 4 1HG CLG 4 -10.585 -5.680 -0.490 28 2HG CLG 4 2HG CLG 4 -10.621 -4.311 -1.601 29 1HD CLG 4 1HD CLG 4 -8.386 -3.854 0.029 30 2HD CLG 4 2HD CLG 4 -9.632 -4.438 1.131 31 1HE CLG 4 1HE CLG 4 -11.055 -2.636 0.675 32 2HE CLG 4 2HE CLG 4 -10.341 -2.352 -0.926 33 HNZ CLG 4 HNZ CLG 4 -8.570 -1.969 1.423 34 1HI CLG 4 1HI CLG 4 -8.581 0.997 1.803 35 2HI CLG 4 2HI CLG 4 -7.269 -0.075 1.315 36 HNJ CLG 4 HNJ CLG 4 -7.952 1.476 -0.949 37 1HL CLG 4 1HL CLG 4 -5.881 2.975 -1.500 38 2HL CLG 4 2HL CLG 4 -7.263 3.990 -1.094 39 H ILE 5 H ILE 5 -9.177 -7.072 -5.372 40 HA ILE 5 HA ILE 5 -6.830 -5.687 -6.313 41 HB ILE 5 HB ILE 5 -9.059 -7.340 -7.499 42 1HG1 ILE 5 2HG1 ILE 5 -6.097 -7.713 -6.991 43 2HG1 ILE 5 1HG1 ILE 5 -7.436 -8.590 -6.251 44 1HG2 ILE 5 1HG2 ILE 5 -8.423 -5.738 -9.245 45 2HG2 ILE 5 2HG2 ILE 5 -7.803 -7.341 -9.640 46 3HG2 ILE 5 3HG2 ILE 5 -6.719 -6.113 -8.989 47 1HD1 ILE 5 1HD1 ILE 5 -7.970 -9.127 -8.830 48 2HD1 ILE 5 2HD1 ILE 5 -6.886 -10.130 -7.867 49 3HD1 ILE 5 3HD1 ILE 5 -6.225 -8.909 -8.953 50 H ILE 6 H ILE 6 -7.029 -4.356 -8.457 51 HA ILE 6 HA ILE 6 -7.595 -2.200 -9.266 52 HB ILE 6 HB ILE 6 -9.128 -3.904 -10.310 53 1HG1 ILE 6 2HG1 ILE 6 -10.851 -1.513 -10.062 54 2HG1 ILE 6 1HG1 ILE 6 -9.173 -1.178 -10.493 55 1HG2 ILE 6 1HG2 ILE 6 -10.505 -4.694 -8.588 56 2HG2 ILE 6 2HG2 ILE 6 -11.581 -3.596 -9.451 57 3HG2 ILE 6 3HG2 ILE 6 -10.808 -3.078 -7.954 58 1HD1 ILE 6 1HD1 ILE 6 -11.213 -2.814 -11.981 59 2HD1 ILE 6 2HD1 ILE 6 -9.492 -3.116 -12.217 60 3HD1 ILE 6 3HD1 ILE 6 -10.168 -1.530 -12.587 61 H ARG 7 H ARG 7 -7.314 -2.065 -6.473 62 HA ARG 7 HA ARG 7 -9.654 -0.893 -5.202 63 1HB ARG 7 2HB ARG 7 -7.001 -1.764 -4.564 64 2HB ARG 7 1HB ARG 7 -7.187 -0.111 -3.979 65 1HG ARG 7 2HG ARG 7 -9.057 -0.679 -2.634 66 2HG ARG 7 1HG ARG 7 -9.285 -2.219 -3.461 67 1HD ARG 7 2HD ARG 7 -8.201 -2.452 -1.192 68 2HD ARG 7 1HD ARG 7 -7.193 -3.080 -2.511 69 HE ARG 7 HE ARG 7 -6.206 -0.643 -2.481 70 1HH1 ARG 7 1HH1 ARG 7 -6.811 -2.846 0.057 71 2HH1 ARG 7 2HH1 ARG 7 -6.044 -1.883 1.275 72 1HH2 ARG 7 1HH2 ARG 7 -5.446 0.796 -0.844 73 2HH2 ARG 7 2HH2 ARG 7 -5.271 0.179 0.765 74 H TYR 8 H TYR 8 -10.080 0.701 -7.036 75 HA TYR 8 HA TYR 8 -8.247 3.066 -6.954 76 1HB TYR 8 2HB TYR 8 -9.267 3.598 -9.113 77 2HB TYR 8 1HB TYR 8 -8.742 1.913 -9.122 78 HD1 TYR 8 HD1 TYR 8 -10.301 0.129 -9.360 79 HD2 TYR 8 HD2 TYR 8 -11.696 4.132 -8.675 80 HE1 TYR 8 HE1 TYR 8 -12.622 -0.596 -9.848 81 HE2 TYR 8 HE2 TYR 8 -14.018 3.408 -9.162 82 HH TYR 8 HH TYR 8 -15.134 0.592 -8.999 83 H PHE 9 H PHE 9 -9.412 5.217 -7.087 84 HA PHE 9 HA PHE 9 -12.154 5.242 -5.948 85 1HB PHE 9 2HB PHE 9 -9.800 6.631 -4.632 86 2HB PHE 9 1HB PHE 9 -11.445 6.504 -4.006 87 HD1 PHE 9 HD1 PHE 9 -12.378 4.118 -3.605 88 HD2 PHE 9 HD2 PHE 9 -8.201 4.997 -4.084 89 HE1 PHE 9 HE1 PHE 9 -11.801 1.967 -2.513 90 HE2 PHE 9 HE2 PHE 9 -7.624 2.847 -2.991 91 HZ PHE 9 HZ PHE 9 -9.423 1.332 -2.206 92 H TYR 10 H TYR 10 -12.337 7.927 -5.350 93 HA TYR 10 HA TYR 10 -11.449 9.326 -7.850 94 1HB TYR 10 2HB TYR 10 -13.816 8.517 -7.923 95 2HB TYR 10 1HB TYR 10 -14.157 9.479 -6.485 96 HD1 TYR 10 HD1 TYR 10 -14.809 11.719 -6.707 97 HD2 TYR 10 HD2 TYR 10 -12.769 9.782 -9.952 98 HE1 TYR 10 HE1 TYR 10 -15.172 13.719 -8.129 99 HE2 TYR 10 HE2 TYR 10 -13.131 11.781 -11.374 100 HH TYR 10 HH TYR 10 -15.307 14.223 -10.588 101 H ASN 11 H ASN 11 -10.398 11.212 -7.364 102 HA ASN 11 HA ASN 11 -10.956 12.494 -4.706 103 1HB ASN 11 2HB ASN 11 -8.519 11.559 -6.049 104 2HB ASN 11 1HB ASN 11 -8.389 13.220 -5.473 105 1HD2 ASN 11 1HD2 ASN 11 -8.363 13.581 -3.180 106 2HD2 ASN 11 2HD2 ASN 11 -8.332 12.311 -2.053 107 H ALA 12 H ALA 12 -12.459 14.010 -5.649 108 HA ALA 12 HA ALA 12 -12.029 15.538 -8.012 109 1HB ALA 12 1HB ALA 12 -14.056 15.193 -6.343 110 2HB ALA 12 2HB ALA 12 -13.925 16.684 -7.277 111 3HB ALA 12 3HB ALA 12 -13.411 16.652 -5.591 112 H LYS 13 H LYS 13 -10.970 16.068 -4.667 113 HA LYS 13 HA LYS 13 -10.088 18.738 -4.790 114 1HB LYS 13 2HB LYS 13 -10.044 16.722 -2.984 115 2HB LYS 13 1HB LYS 13 -8.347 16.717 -3.462 116 1HG LYS 13 2HG LYS 13 -9.632 19.351 -2.866 117 2HG LYS 13 1HG LYS 13 -9.214 18.303 -1.509 118 1HD LYS 13 2HD LYS 13 -6.960 18.521 -1.856 119 2HD LYS 13 1HD LYS 13 -7.135 18.628 -3.608 120 1HE LYS 13 2HE LYS 13 -8.302 20.945 -3.025 121 2HE LYS 13 1HE LYS 13 -7.316 20.805 -1.556 122 1HZ LYS 13 1HZ LYS 13 -6.081 21.866 -3.367 123 2HZ LYS 13 2HZ LYS 13 -6.307 20.487 -4.334 124 3HZ LYS 13 3HZ LYS 13 -5.376 20.390 -2.916 125 H ASP 14 H ASP 14 -7.865 15.958 -5.098 126 HA ASP 14 HA ASP 14 -5.958 17.557 -6.638 127 1HB ASP 14 2HB ASP 14 -6.186 14.875 -5.379 128 2HB ASP 14 1HB ASP 14 -5.101 14.974 -6.765 129 H GLY 15 H GLY 15 -8.815 15.956 -7.404 130 1HA GLY 15 2HA GLY 15 -9.750 15.239 -9.435 131 2HA GLY 15 1HA GLY 15 -8.575 16.305 -10.206 132 H LEU 16 H LEU 16 -8.465 13.188 -8.436 133 HA LEU 16 HA LEU 16 -7.105 11.951 -10.773 134 1HB LEU 16 2HB LEU 16 -5.216 12.782 -9.661 135 2HB LEU 16 1HB LEU 16 -5.923 12.531 -8.068 136 HG LEU 16 HG LEU 16 -4.051 10.904 -8.941 137 1HD1 LEU 16 1HD1 LEU 16 -5.731 10.789 -6.909 138 2HD1 LEU 16 2HD1 LEU 16 -4.763 9.382 -7.349 139 3HD1 LEU 16 3HD1 LEU 16 -6.448 9.486 -7.853 140 1HD2 LEU 16 1HD2 LEU 16 -6.120 9.055 -9.840 141 2HD2 LEU 16 2HD2 LEU 16 -4.588 9.448 -10.599 142 3HD2 LEU 16 3HD2 LEU 16 -5.997 10.446 -10.913 143 2HN ABA 17 HN ABA 17 -7.874 9.884 -10.992 144 HA ABA 17 HA ABA 17 -9.466 8.686 -8.789 145 1HB ABA 17 1HB ABA 17 -9.152 7.187 -11.288 146 2HB ABA 17 2HB ABA 17 -9.673 8.850 -11.564 147 1HG ABA 17 1HG ABA 17 -11.713 7.748 -11.238 148 2HG ABA 17 2HG ABA 17 -11.364 8.351 -9.618 149 3HG ABA 17 3HG ABA 17 -11.044 6.664 -10.018 150 H GLN 18 H GLN 18 -7.633 8.127 -7.403 151 HA GLN 18 HA GLN 18 -5.258 6.851 -7.910 152 1HB GLN 18 2HB GLN 18 -7.015 7.225 -5.759 153 2HB GLN 18 1HB GLN 18 -6.723 5.485 -5.794 154 1HG GLN 18 2HG GLN 18 -4.216 6.678 -6.268 155 2HG GLN 18 1HG GLN 18 -4.945 7.608 -4.957 156 1HE2 GLN 18 1HE2 GLN 18 -2.880 5.132 -5.306 157 2HE2 GLN 18 2HE2 GLN 18 -3.315 4.159 -3.984 158 H THR 19 H THR 19 -4.574 4.841 -8.595 159 HA THR 19 HA THR 19 -6.679 2.789 -9.207 160 HB THR 19 HB THR 19 -4.114 3.377 -10.721 161 HG1 THR 19 HG1 THR 19 -5.174 4.880 -11.701 162 1HG2 THR 19 1HG2 THR 19 -4.878 1.849 -12.322 163 2HG2 THR 19 2HG2 THR 19 -6.549 1.956 -11.767 164 3HG2 THR 19 3HG2 THR 19 -5.355 1.080 -10.809 165 H PHE 20 H PHE 20 -5.808 2.341 -6.814 166 HA PHE 20 HA PHE 20 -3.211 0.928 -6.746 167 1HB PHE 20 2HB PHE 20 -3.895 2.415 -4.930 168 2HB PHE 20 1HB PHE 20 -5.392 1.513 -4.716 169 HD1 PHE 20 HD1 PHE 20 -4.446 1.469 -2.275 170 HD2 PHE 20 HD2 PHE 20 -2.700 -0.665 -5.565 171 HE1 PHE 20 HE1 PHE 20 -3.302 -0.049 -0.685 172 HE2 PHE 20 HE2 PHE 20 -1.555 -2.181 -3.977 173 HZ PHE 20 HZ PHE 20 -1.855 -1.875 -1.535 174 H VAL 21 H VAL 21 -3.184 -1.201 -7.412 175 HA VAL 21 HA VAL 21 -5.681 -2.803 -7.098 176 HB VAL 21 HB VAL 21 -4.721 -2.656 -9.345 177 1HG1 VAL 21 1HG1 VAL 21 -2.226 -3.912 -8.171 178 2HG1 VAL 21 2HG1 VAL 21 -2.363 -2.220 -8.639 179 3HG1 VAL 21 3HG1 VAL 21 -2.491 -3.484 -9.857 180 1HG2 VAL 21 1HG2 VAL 21 -5.495 -4.756 -9.537 181 2HG2 VAL 21 2HG2 VAL 21 -5.068 -5.114 -7.864 182 3HG2 VAL 21 3HG2 VAL 21 -3.877 -5.336 -9.146 183 H TYR 22 H TYR 22 -5.611 -3.544 -4.985 184 HA TYR 22 HA TYR 22 -3.433 -5.450 -4.334 185 1HB TYR 22 2HB TYR 22 -2.467 -3.688 -3.217 186 2HB TYR 22 1HB TYR 22 -3.983 -2.801 -3.115 187 HD1 TYR 22 HD1 TYR 22 -3.196 -6.272 -1.938 188 HD2 TYR 22 HD2 TYR 22 -4.193 -2.241 -0.844 189 HE1 TYR 22 HE1 TYR 22 -3.456 -6.978 0.424 190 HE2 TYR 22 HE2 TYR 22 -4.455 -2.947 1.518 191 HH TYR 22 HH TYR 22 -3.865 -6.326 2.502 192 H GLY 23 H GLY 23 -4.633 -7.286 -3.954 193 1HA GLY 23 2HA GLY 23 -7.178 -6.960 -2.417 194 2HA GLY 23 1HA GLY 23 -6.866 -8.291 -3.529 195 H GLY 24 H GLY 24 -5.228 -9.893 -2.878 196 1HA GLY 24 2HA GLY 24 -3.673 -10.687 -1.106 197 2HA GLY 24 1HA GLY 24 -4.731 -9.908 0.072 198 H CYS 25 H CYS 25 -3.944 -12.734 -0.021 199 HA CYS 25 HA CYS 25 -6.600 -14.012 -0.570 200 1HB CYS 25 2HB CYS 25 -4.498 -14.732 -1.818 201 2HB CYS 25 1HB CYS 25 -3.879 -15.312 -0.274 202 1HN NH2 26 1H CYS 25 -7.601 -15.144 1.180 203 2HN NH2 26 2H CYS 25 -6.956 -15.210 2.749 204 1HA MPT 1 1HA MPT 1 0.030 -12.669 5.237 205 2HA MPT 1 2HA MPT 1 -0.888 -13.915 4.377 206 1HB MPT 1 1HB MPT 1 1.900 -13.023 4.079 207 2HB MPT 1 2HB MPT 1 1.035 -13.084 2.543 208 H LYS 2 H LYS 2 -2.381 -13.248 2.912 209 HA LYS 2 HA LYS 2 -3.688 -11.791 1.595 210 1HB LYS 2 2HB LYS 2 -2.420 -9.947 3.638 211 2HB LYS 2 1HB LYS 2 -3.669 -9.412 2.512 212 1HG LYS 2 2HG LYS 2 -4.345 -11.918 3.879 213 2HG LYS 2 1HG LYS 2 -4.146 -10.554 4.980 214 1HD LYS 2 2HD LYS 2 -5.926 -9.395 4.091 215 2HD LYS 2 1HD LYS 2 -5.704 -10.082 2.481 216 1HE LYS 2 2HE LYS 2 -7.710 -11.088 3.329 217 2HE LYS 2 1HE LYS 2 -6.454 -12.325 3.532 218 1HZ LYS 2 1HZ LYS 2 -7.512 -12.128 5.620 219 2HZ LYS 2 2HZ LYS 2 -7.485 -10.431 5.567 220 3HZ LYS 2 3HZ LYS 2 -6.040 -11.300 5.774 221 H ALA 3 H ALA 3 -2.101 -12.312 -0.202 222 HA ALA 3 HA ALA 3 0.194 -10.918 -0.922 223 1HB ALA 3 1HB ALA 3 -1.247 -12.790 -2.072 224 2HB ALA 3 2HB ALA 3 -0.264 -11.727 -3.079 225 3HB ALA 3 3HB ALA 3 -1.997 -11.437 -2.922 226 H ARG 4 H ARG 4 0.606 -8.777 -1.295 227 HA ARG 4 HA ARG 4 -1.465 -6.788 -1.167 228 1HB ARG 4 2HB ARG 4 1.405 -6.996 -1.198 229 2HB ARG 4 1HB ARG 4 0.880 -5.661 -2.218 230 1HG ARG 4 2HG ARG 4 1.037 -4.663 -0.096 231 2HG ARG 4 1HG ARG 4 -0.678 -5.062 -0.214 232 1HD ARG 4 2HD ARG 4 -0.517 -6.808 1.316 233 2HD ARG 4 1HD ARG 4 1.192 -7.110 0.943 234 HE ARG 4 HE ARG 4 1.188 -4.534 1.963 235 1HH1 ARG 4 1HH1 ARG 4 1.046 -7.743 3.020 236 2HH1 ARG 4 2HH1 ARG 4 0.809 -7.355 4.692 237 1HH2 ARG 4 1HH2 ARG 4 0.442 -3.954 4.121 238 2HH2 ARG 4 2HH2 ARG 4 0.465 -5.209 5.315 239 H ILE 5 H ILE 5 0.939 -6.811 -3.686 240 HA ILE 5 HA ILE 5 0.574 -7.262 -6.079 241 HB ILE 5 HB ILE 5 -2.190 -6.167 -5.478 242 1HG1 ILE 5 2HG1 ILE 5 -1.517 -8.912 -6.512 243 2HG1 ILE 5 1HG1 ILE 5 -1.430 -8.594 -4.783 244 1HG2 ILE 5 1HG2 ILE 5 -0.930 -7.182 -8.036 245 2HG2 ILE 5 2HG2 ILE 5 -1.467 -5.535 -7.715 246 3HG2 ILE 5 3HG2 ILE 5 -2.647 -6.838 -7.831 247 1HD1 ILE 5 1HD1 ILE 5 -3.858 -7.463 -5.748 248 2HD1 ILE 5 2HD1 ILE 5 -3.656 -8.819 -4.637 249 3HD1 ILE 5 3HD1 ILE 5 -3.745 -9.107 -6.375 250 H ILE 6 H ILE 6 0.424 -5.559 -7.859 251 HA ILE 6 HA ILE 6 1.976 -3.290 -7.204 252 HB ILE 6 HB ILE 6 0.092 -3.746 -9.533 253 1HG1 ILE 6 2HG1 ILE 6 2.948 -4.303 -9.887 254 2HG1 ILE 6 1HG1 ILE 6 2.195 -5.348 -8.682 255 1HG2 ILE 6 1HG2 ILE 6 0.862 -1.487 -9.603 256 2HG2 ILE 6 2HG2 ILE 6 1.908 -2.377 -10.709 257 3HG2 ILE 6 3HG2 ILE 6 2.488 -1.950 -9.100 258 1HD1 ILE 6 1HD1 ILE 6 2.073 -5.688 -11.446 259 2HD1 ILE 6 2HD1 ILE 6 0.503 -4.999 -11.034 260 3HD1 ILE 6 3HD1 ILE 6 1.044 -6.487 -10.256 261 H ARG 7 H ARG 7 1.414 -1.010 -7.386 262 HA ARG 7 HA ARG 7 -1.435 -0.319 -6.836 263 1HB ARG 7 2HB ARG 7 -0.276 -0.566 -4.684 264 2HB ARG 7 1HB ARG 7 1.007 0.510 -5.237 265 1HG ARG 7 2HG ARG 7 -0.364 2.401 -5.174 266 2HG ARG 7 1HG ARG 7 -1.847 1.451 -5.266 267 1HD ARG 7 2HD ARG 7 -1.857 1.987 -2.998 268 2HD ARG 7 1HD ARG 7 -0.915 0.484 -2.941 269 HE ARG 7 HE ARG 7 1.065 1.769 -2.608 270 1HH1 ARG 7 1HH1 ARG 7 -0.498 3.579 -0.911 271 2HH1 ARG 7 2HH1 ARG 7 -0.240 5.130 -1.638 272 1HH2 ARG 7 1HH2 ARG 7 0.903 3.826 -4.642 273 2HH2 ARG 7 2HH2 ARG 7 0.557 5.271 -3.750 274 H TYR 8 H TYR 8 -1.895 1.059 -8.508 275 HA TYR 8 HA TYR 8 0.237 2.860 -9.550 276 1HB TYR 8 2HB TYR 8 -2.570 2.332 -10.570 277 2HB TYR 8 1HB TYR 8 -1.218 3.014 -11.474 278 HD1 TYR 8 HD1 TYR 8 -2.994 0.039 -10.751 279 HD2 TYR 8 HD2 TYR 8 0.966 1.514 -11.525 280 HE1 TYR 8 HE1 TYR 8 -2.268 -2.243 -11.399 281 HE2 TYR 8 HE2 TYR 8 1.690 -0.767 -12.173 282 HH TYR 8 HH TYR 8 1.065 -2.868 -12.506 283 H PHE 9 H PHE 9 -0.044 5.135 -9.537 284 HA PHE 9 HA PHE 9 -2.485 6.207 -8.178 285 1HB PHE 9 2HB PHE 9 -0.275 5.724 -6.773 286 2HB PHE 9 1HB PHE 9 0.231 7.261 -7.473 287 HD1 PHE 9 HD1 PHE 9 -0.910 6.108 -4.556 288 HD2 PHE 9 HD2 PHE 9 -2.199 8.834 -7.614 289 HE1 PHE 9 HE1 PHE 9 -2.290 7.324 -2.893 290 HE2 PHE 9 HE2 PHE 9 -3.578 10.049 -5.952 291 HZ PHE 9 HZ PHE 9 -3.623 9.295 -3.591 292 H TYR 10 H TYR 10 -2.222 6.451 -10.888 293 HA TYR 10 HA TYR 10 -0.701 8.575 -11.967 294 1HB TYR 10 2HB TYR 10 -2.278 6.853 -13.056 295 2HB TYR 10 1HB TYR 10 -3.594 7.940 -12.620 296 HD1 TYR 10 HD1 TYR 10 -0.230 8.026 -14.288 297 HD2 TYR 10 HD2 TYR 10 -4.230 9.582 -14.140 298 HE1 TYR 10 HE1 TYR 10 0.228 9.397 -16.304 299 HE2 TYR 10 HE2 TYR 10 -3.772 10.952 -16.156 300 HH TYR 10 HH TYR 10 -2.307 11.458 -17.738 301 H ASN 11 H ASN 11 -2.255 10.641 -12.806 302 HA ASN 11 HA ASN 11 -4.185 11.780 -11.062 303 1HB ASN 11 2HB ASN 11 -2.369 11.587 -9.377 304 2HB ASN 11 1HB ASN 11 -1.304 12.525 -10.419 305 1HD2 ASN 11 1HD2 ASN 11 -3.386 12.819 -7.806 306 2HD2 ASN 11 2HD2 ASN 11 -3.753 14.470 -7.945 307 H ALA 12 H ALA 12 -4.802 13.837 -11.856 308 HA ALA 12 HA ALA 12 -3.498 14.659 -14.382 309 1HB ALA 12 1HB ALA 12 -5.622 16.316 -14.024 310 2HB ALA 12 2HB ALA 12 -6.104 14.965 -12.997 311 3HB ALA 12 3HB ALA 12 -5.765 14.696 -14.706 312 H LYS 13 H LYS 13 -5.087 16.935 -12.261 313 HA LYS 13 HA LYS 13 -3.569 19.155 -12.510 314 1HB LYS 13 2HB LYS 13 -5.563 18.758 -11.043 315 2HB LYS 13 1HB LYS 13 -4.488 18.050 -9.840 316 1HG LYS 13 2HG LYS 13 -3.475 20.084 -9.346 317 2HG LYS 13 1HG LYS 13 -3.850 20.770 -10.929 318 1HD LYS 13 2HD LYS 13 -6.308 20.665 -10.240 319 2HD LYS 13 1HD LYS 13 -5.736 20.332 -8.605 320 1HE LYS 13 2HE LYS 13 -4.643 22.450 -8.441 321 2HE LYS 13 1HE LYS 13 -4.785 22.737 -10.187 322 1HZ LYS 13 1HZ LYS 13 -7.103 22.922 -10.040 323 2HZ LYS 13 2HZ LYS 13 -6.525 23.832 -8.726 324 3HZ LYS 13 3HZ LYS 13 -7.153 22.274 -8.473 325 H ASP 14 H ASP 14 -2.828 17.367 -9.512 326 HA ASP 14 HA ASP 14 -0.119 18.379 -9.467 327 1HB ASP 14 2HB ASP 14 0.009 16.857 -7.476 328 2HB ASP 14 1HB ASP 14 -1.402 17.916 -7.452 329 H GLY 15 H GLY 15 -1.578 15.323 -10.503 330 1HA GLY 15 2HA GLY 15 -0.636 13.595 -11.797 331 2HA GLY 15 1HA GLY 15 0.776 14.624 -12.037 332 H CLH 16 H CLH 16 -0.554 13.563 -8.921 333 HA CLH 16 HA CLH 16 2.033 12.778 -7.914 334 1HB CLH 16 1HB CLH 16 -0.794 12.144 -7.002 335 2HB CLH 16 2HB CLH 16 0.139 13.567 -6.540 336 1HG CLH 16 1HG CLH 16 1.114 12.402 -4.879 337 2HG CLH 16 2HG CLH 16 1.728 11.230 -6.046 338 1HD CLH 16 1HD CLH 16 0.379 9.786 -4.895 339 2HD CLH 16 2HD CLH 16 -0.883 10.474 -5.919 340 1HE CLH 16 1HE CLH 16 -1.859 11.553 -4.156 341 2HE CLH 16 2HE CLH 16 -0.292 12.062 -3.493 342 HNZ CLH 16 HNZ CLH 16 -0.200 9.410 -2.983 343 1HI CLH 16 1HI CLH 16 -1.135 8.087 -1.481 344 2HI CLH 16 2HI CLH 16 -1.582 9.141 -0.139 345 HNJ CLH 16 HNJ CLH 16 -3.990 8.694 -1.405 346 HL CLH 16 HL CLH 16 -5.418 7.273 -0.362 347 2HN ABA 17 HN ABA 17 2.383 11.330 -9.989 348 HA ABA 17 HA ABA 17 1.029 8.815 -10.249 349 1HB ABA 17 1HB ABA 17 2.409 9.921 -11.981 350 2HB ABA 17 2HB ABA 17 2.990 8.285 -11.664 351 1HG ABA 17 1HG ABA 17 5.009 9.099 -11.090 352 2HG ABA 17 2HG ABA 17 4.267 10.088 -9.833 353 3HG ABA 17 3HG ABA 17 4.443 10.728 -11.467 354 H GLN 18 H GLN 18 2.182 6.665 -9.869 355 HA GLN 18 HA GLN 18 4.326 6.327 -8.031 356 1HB GLN 18 2HB GLN 18 2.029 7.429 -6.871 357 2HB GLN 18 1HB GLN 18 1.972 5.727 -6.416 358 1HG GLN 18 2HG GLN 18 3.932 5.839 -5.197 359 2HG GLN 18 1HG GLN 18 4.589 7.150 -6.178 360 1HE2 GLN 18 1HE2 GLN 18 2.774 9.165 -6.037 361 2HE2 GLN 18 2HE2 GLN 18 2.454 9.613 -4.431 362 H THR 19 H THR 19 4.855 4.157 -8.052 363 HA THR 19 HA THR 19 2.698 2.178 -8.680 364 HB THR 19 HB THR 19 5.458 2.301 -9.931 365 HG1 THR 19 HG1 THR 19 2.994 2.860 -11.186 366 1HG2 THR 19 1HG2 THR 19 3.007 0.595 -10.417 367 2HG2 THR 19 2HG2 THR 19 4.607 0.053 -9.913 368 3HG2 THR 19 3HG2 THR 19 4.362 0.684 -11.541 369 H PHE 20 H PHE 20 2.882 0.301 -7.457 370 HA PHE 20 HA PHE 20 5.332 0.053 -5.741 371 1HB PHE 20 2HB PHE 20 2.416 -0.646 -5.375 372 2HB PHE 20 1HB PHE 20 3.661 -1.285 -4.307 373 HD1 PHE 20 HD1 PHE 20 3.916 -0.124 -2.318 374 HD2 PHE 20 HD2 PHE 20 2.872 2.045 -5.877 375 HE1 PHE 20 HE1 PHE 20 3.912 1.994 -1.029 376 HE2 PHE 20 HE2 PHE 20 2.871 4.160 -4.587 377 HZ PHE 20 HZ PHE 20 3.391 4.137 -2.162 378 H VAL 21 H VAL 21 4.977 -2.541 -4.873 379 HA VAL 21 HA VAL 21 5.165 -4.156 -7.396 380 HB VAL 21 HB VAL 21 6.622 -4.590 -4.775 381 1HG1 VAL 21 1HG1 VAL 21 6.933 -6.561 -5.902 382 2HG1 VAL 21 2HG1 VAL 21 8.184 -5.627 -6.723 383 3HG1 VAL 21 3HG1 VAL 21 6.601 -5.834 -7.473 384 1HG2 VAL 21 1HG2 VAL 21 8.584 -3.609 -6.164 385 2HG2 VAL 21 2HG2 VAL 21 7.422 -2.477 -5.473 386 3HG2 VAL 21 3HG2 VAL 21 7.325 -2.908 -7.181 387 H TYR 22 H TYR 22 4.916 -6.630 -6.735 388 HA TYR 22 HA TYR 22 2.285 -6.972 -5.618 389 1HB TYR 22 2HB TYR 22 4.252 -8.440 -7.054 390 2HB TYR 22 1HB TYR 22 3.848 -9.390 -5.625 391 HD1 TYR 22 HD1 TYR 22 1.714 -10.466 -5.405 392 HD2 TYR 22 HD2 TYR 22 2.421 -7.695 -8.612 393 HE1 TYR 22 HE1 TYR 22 -0.396 -11.180 -6.490 394 HE2 TYR 22 HE2 TYR 22 0.310 -8.409 -9.694 395 HH TYR 22 HH TYR 22 -1.215 -11.118 -9.132 396 H GLY 23 H GLY 23 2.087 -8.799 -3.799 397 1HA GLY 23 2HA GLY 23 3.035 -7.664 -1.363 398 2HA GLY 23 1HA GLY 23 2.341 -9.279 -1.515 399 H GLY 24 H GLY 24 3.732 -10.871 -0.916 400 1HA GLY 24 2HA GLY 24 6.421 -11.042 -1.931 401 2HA GLY 24 1HA GLY 24 6.438 -10.510 -0.249 402 H CYS 25 H CYS 25 4.163 -11.986 0.644 403 HA CYS 25 HA CYS 25 5.367 -14.513 1.269 404 1HB CYS 25 2HB CYS 25 3.762 -13.477 2.736 405 2HB CYS 25 1HB CYS 25 2.558 -13.390 1.451 406 1HN NH2 26 1H CYS 25 5.691 -16.068 -0.370 407 2HN NH2 26 2H CYS 25 4.532 -16.514 -1.527 Start of MODEL 14 1 1HA MPT 1 1HA MPT 1 -1.866 -15.053 -13.231 2 2HA MPT 1 2HA MPT 1 -2.323 -15.686 -14.820 3 1HB MPT 1 1HB MPT 1 0.081 -14.345 -15.263 4 2HB MPT 1 2HB MPT 1 -0.093 -16.088 -15.058 5 H LYS 2 H LYS 2 -4.107 -14.041 -14.592 6 HA LYS 2 HA LYS 2 -3.190 -11.248 -15.150 7 1HB LYS 2 2HB LYS 2 -4.073 -13.119 -17.041 8 2HB LYS 2 1HB LYS 2 -5.473 -12.085 -16.757 9 1HG LYS 2 2HG LYS 2 -3.475 -10.227 -16.892 10 2HG LYS 2 1HG LYS 2 -2.884 -11.440 -18.027 11 1HD LYS 2 2HD LYS 2 -5.658 -10.214 -18.082 12 2HD LYS 2 1HD LYS 2 -4.327 -9.758 -19.146 13 1HE LYS 2 2HE LYS 2 -4.260 -11.989 -20.118 14 2HE LYS 2 1HE LYS 2 -5.472 -12.568 -18.958 15 1HZ LYS 2 1HZ LYS 2 -7.045 -10.981 -19.798 16 2HZ LYS 2 2HZ LYS 2 -6.455 -11.893 -21.105 17 3HZ LYS 2 3HZ LYS 2 -5.891 -10.311 -20.844 18 H ALA 3 H ALA 3 -4.247 -12.105 -12.689 19 HA ALA 3 HA ALA 3 -7.091 -11.163 -12.758 20 1HB ALA 3 1HB ALA 3 -5.576 -12.655 -10.594 21 2HB ALA 3 2HB ALA 3 -6.497 -13.453 -11.870 22 3HB ALA 3 3HB ALA 3 -7.322 -12.425 -10.698 23 H CLG 4 H CLG 4 -5.566 -9.012 -12.985 24 HA CLG 4 HA CLG 4 -4.663 -8.040 -10.337 25 1HB CLG 4 1HB CLG 4 -4.024 -6.048 -11.791 26 2HB CLG 4 2HB CLG 4 -4.646 -6.958 -13.169 27 1HG CLG 4 1HG CLG 4 -3.079 -8.860 -12.308 28 2HG CLG 4 2HG CLG 4 -2.276 -7.570 -11.412 29 1HD CLG 4 1HD CLG 4 -2.688 -7.726 -14.413 30 2HD CLG 4 2HD CLG 4 -1.154 -7.824 -13.548 31 1HE CLG 4 1HE CLG 4 -1.503 -5.494 -12.721 32 2HE CLG 4 2HE CLG 4 -3.000 -5.407 -13.672 33 HNZ CLG 4 HNZ CLG 4 -0.249 -5.725 -14.814 34 1HI CLG 4 1HI CLG 4 -0.185 -5.635 -17.202 35 2HI CLG 4 2HI CLG 4 -1.540 -4.843 -18.007 36 HNJ CLG 4 HNJ CLG 4 -0.077 -3.176 -16.069 37 1HL CLG 4 1HL CLG 4 0.153 -0.856 -17.257 38 2HL CLG 4 2HL CLG 4 1.715 -1.674 -17.229 39 H ILE 5 H ILE 5 -6.682 -7.792 -9.204 40 HA ILE 5 HA ILE 5 -8.992 -6.460 -10.266 41 HB ILE 5 HB ILE 5 -7.920 -6.886 -7.459 42 1HG1 ILE 5 2HG1 ILE 5 -8.397 -8.943 -8.728 43 2HG1 ILE 5 1HG1 ILE 5 -9.589 -8.722 -7.446 44 1HG2 ILE 5 1HG2 ILE 5 -10.703 -6.674 -7.361 45 2HG2 ILE 5 2HG2 ILE 5 -10.208 -5.360 -8.427 46 3HG2 ILE 5 3HG2 ILE 5 -9.547 -5.467 -6.795 47 1HD1 ILE 5 1HD1 ILE 5 -9.914 -8.364 -10.411 48 2HD1 ILE 5 2HD1 ILE 5 -10.946 -7.456 -9.305 49 3HD1 ILE 5 3HD1 ILE 5 -10.955 -9.220 -9.273 50 H ILE 6 H ILE 6 -8.590 -4.419 -11.162 51 HA ILE 6 HA ILE 6 -6.895 -2.467 -9.741 52 HB ILE 6 HB ILE 6 -8.595 -2.209 -12.242 53 1HG1 ILE 6 2HG1 ILE 6 -7.028 -4.111 -12.413 54 2HG1 ILE 6 1HG1 ILE 6 -6.519 -2.784 -13.458 55 1HG2 ILE 6 1HG2 ILE 6 -6.782 -0.446 -10.784 56 2HG2 ILE 6 2HG2 ILE 6 -7.889 -0.067 -12.103 57 3HG2 ILE 6 3HG2 ILE 6 -6.274 -0.679 -12.456 58 1HD1 ILE 6 1HD1 ILE 6 -4.584 -3.653 -12.242 59 2HD1 ILE 6 2HD1 ILE 6 -5.417 -3.418 -10.706 60 3HD1 ILE 6 3HD1 ILE 6 -4.952 -2.022 -11.679 61 H ARG 7 H ARG 7 -8.056 -1.883 -7.849 62 HA ARG 7 HA ARG 7 -10.790 -0.726 -8.262 63 1HB ARG 7 2HB ARG 7 -9.348 -2.150 -6.057 64 2HB ARG 7 1HB ARG 7 -10.603 -0.994 -5.613 65 1HG ARG 7 2HG ARG 7 -11.177 -3.020 -7.751 66 2HG ARG 7 1HG ARG 7 -11.240 -3.513 -6.059 67 1HD ARG 7 2HD ARG 7 -13.144 -2.304 -5.650 68 2HD ARG 7 1HD ARG 7 -12.630 -0.964 -6.694 69 HE ARG 7 HE ARG 7 -14.182 -3.275 -7.550 70 1HH1 ARG 7 1HH1 ARG 7 -13.292 -0.246 -8.458 71 2HH1 ARG 7 2HH1 ARG 7 -13.028 -0.597 -10.134 72 1HH2 ARG 7 1HH2 ARG 7 -13.218 -4.034 -9.717 73 2HH2 ARG 7 2HH2 ARG 7 -12.986 -2.742 -10.847 74 H TYR 8 H TYR 8 -10.885 1.489 -8.181 75 HA TYR 8 HA TYR 8 -8.867 2.938 -6.510 76 1HB TYR 8 2HB TYR 8 -8.616 4.528 -8.399 77 2HB TYR 8 1HB TYR 8 -8.166 2.890 -8.876 78 HD1 TYR 8 HD1 TYR 8 -10.374 5.676 -9.497 79 HD2 TYR 8 HD2 TYR 8 -9.900 1.445 -10.066 80 HE1 TYR 8 HE1 TYR 8 -12.087 5.725 -11.289 81 HE2 TYR 8 HE2 TYR 8 -11.614 1.494 -11.858 82 HH TYR 8 HH TYR 8 -13.469 4.410 -12.545 83 H PHE 9 H PHE 9 -9.586 5.340 -6.327 84 HA PHE 9 HA PHE 9 -12.566 5.598 -6.333 85 1HB PHE 9 2HB PHE 9 -10.764 6.446 -4.051 86 2HB PHE 9 1HB PHE 9 -12.523 6.307 -4.043 87 HD1 PHE 9 HD1 PHE 9 -13.299 3.825 -4.975 88 HD2 PHE 9 HD2 PHE 9 -9.660 4.762 -2.894 89 HE1 PHE 9 HE1 PHE 9 -13.110 1.463 -4.242 90 HE2 PHE 9 HE2 PHE 9 -9.471 2.400 -2.162 91 HZ PHE 9 HZ PHE 9 -11.196 0.751 -2.836 92 H TYR 10 H TYR 10 -12.461 7.126 -8.058 93 HA TYR 10 HA TYR 10 -10.707 9.179 -8.588 94 1HB TYR 10 2HB TYR 10 -13.035 8.442 -9.581 95 2HB TYR 10 1HB TYR 10 -13.662 9.733 -8.558 96 HD1 TYR 10 HD1 TYR 10 -10.931 11.340 -8.799 97 HD2 TYR 10 HD2 TYR 10 -13.691 9.664 -11.632 98 HE1 TYR 10 HE1 TYR 10 -10.225 13.019 -10.479 99 HE2 TYR 10 HE2 TYR 10 -12.982 11.343 -13.314 100 HH TYR 10 HH TYR 10 -10.944 14.035 -12.476 101 H ASN 11 H ASN 11 -9.818 10.658 -7.209 102 HA ASN 11 HA ASN 11 -11.544 11.795 -5.034 103 1HB ASN 11 2HB ASN 11 -9.066 10.484 -5.003 104 2HB ASN 11 1HB ASN 11 -8.665 12.190 -4.790 105 1HD2 ASN 11 1HD2 ASN 11 -9.577 13.305 -2.896 106 2HD2 ASN 11 2HD2 ASN 11 -10.185 12.425 -1.579 107 H ALA 12 H ALA 12 -12.347 13.428 -6.600 108 HA ALA 12 HA ALA 12 -10.692 15.195 -8.098 109 1HB ALA 12 1HB ALA 12 -13.290 15.970 -6.770 110 2HB ALA 12 2HB ALA 12 -13.258 14.758 -8.051 111 3HB ALA 12 3HB ALA 12 -12.708 16.401 -8.378 112 H LYS 13 H LYS 13 -12.048 17.613 -6.697 113 HA LYS 13 HA LYS 13 -11.491 19.231 -5.063 114 1HB LYS 13 2HB LYS 13 -11.516 16.857 -3.781 115 2HB LYS 13 1HB LYS 13 -9.800 17.234 -3.622 116 1HG LYS 13 2HG LYS 13 -10.457 19.498 -2.730 117 2HG LYS 13 1HG LYS 13 -12.133 18.945 -2.720 118 1HD LYS 13 2HD LYS 13 -11.657 17.230 -1.120 119 2HD LYS 13 1HD LYS 13 -9.915 17.450 -1.305 120 1HE LYS 13 2HE LYS 13 -10.667 19.981 -0.592 121 2HE LYS 13 1HE LYS 13 -11.837 19.007 0.320 122 1HZ LYS 13 1HZ LYS 13 -10.014 17.624 1.107 123 2HZ LYS 13 2HZ LYS 13 -9.771 19.243 1.557 124 3HZ LYS 13 3HZ LYS 13 -8.896 18.578 0.262 125 H ASP 14 H ASP 14 -8.785 16.975 -5.384 126 HA ASP 14 HA ASP 14 -7.036 19.247 -6.247 127 1HB ASP 14 2HB ASP 14 -5.225 17.880 -5.120 128 2HB ASP 14 1HB ASP 14 -6.457 18.480 -4.008 129 H GLY 15 H GLY 15 -8.721 16.744 -7.412 130 1HA GLY 15 2HA GLY 15 -8.492 15.355 -9.290 131 2HA GLY 15 1HA GLY 15 -7.187 16.432 -9.789 132 H LEU 16 H LEU 16 -7.574 14.160 -7.050 133 HA LEU 16 HA LEU 16 -4.972 12.910 -7.883 134 1HB LEU 16 2HB LEU 16 -5.090 14.386 -5.784 135 2HB LEU 16 1HB LEU 16 -6.095 13.120 -5.078 136 HG LEU 16 HG LEU 16 -4.030 11.636 -6.056 137 1HD1 LEU 16 1HD1 LEU 16 -1.951 12.745 -5.728 138 2HD1 LEU 16 2HD1 LEU 16 -2.722 14.118 -4.933 139 3HD1 LEU 16 3HD1 LEU 16 -2.925 13.875 -6.669 140 1HD2 LEU 16 1HD2 LEU 16 -3.977 11.072 -3.873 141 2HD2 LEU 16 2HD2 LEU 16 -5.068 12.420 -3.552 142 3HD2 LEU 16 3HD2 LEU 16 -3.324 12.652 -3.438 143 2HN ABA 17 HN ABA 17 -6.029 11.192 -9.044 144 HA ABA 17 HA ABA 17 -8.125 9.587 -7.777 145 1HB ABA 17 1HB ABA 17 -6.832 8.329 -10.019 146 2HB ABA 17 2HB ABA 17 -7.007 10.053 -10.350 147 1HG ABA 17 1HG ABA 17 -9.009 8.832 -11.092 148 2HG ABA 17 2HG ABA 17 -9.410 9.905 -9.750 149 3HG ABA 17 3HG ABA 17 -9.221 8.174 -9.469 150 H GLN 18 H GLN 18 -7.791 7.788 -6.521 151 HA GLN 18 HA GLN 18 -4.988 6.753 -6.277 152 1HB GLN 18 2HB GLN 18 -7.378 6.780 -4.407 153 2HB GLN 18 1HB GLN 18 -5.850 5.982 -4.034 154 1HG GLN 18 2HG GLN 18 -5.115 8.546 -4.887 155 2HG GLN 18 1HG GLN 18 -6.532 8.803 -3.867 156 1HE2 GLN 18 1HE2 GLN 18 -6.435 7.481 -1.696 157 2HE2 GLN 18 2HE2 GLN 18 -4.923 7.417 -0.928 158 H THR 19 H THR 19 -4.650 4.680 -7.004 159 HA THR 19 HA THR 19 -7.040 2.889 -7.296 160 HB THR 19 HB THR 19 -4.654 3.304 -9.126 161 HG1 THR 19 HG1 THR 19 -5.966 4.526 -10.211 162 1HG2 THR 19 1HG2 THR 19 -6.977 1.366 -9.263 163 2HG2 THR 19 2HG2 THR 19 -5.261 0.968 -9.169 164 3HG2 THR 19 3HG2 THR 19 -5.912 1.719 -10.624 165 H PHE 20 H PHE 20 -6.650 1.528 -5.526 166 HA PHE 20 HA PHE 20 -3.914 0.453 -5.098 167 1HB PHE 20 2HB PHE 20 -5.407 1.343 -3.263 168 2HB PHE 20 1HB PHE 20 -6.495 -0.010 -3.572 169 HD1 PHE 20 HD1 PHE 20 -3.644 1.077 -1.745 170 HD2 PHE 20 HD2 PHE 20 -5.402 -2.395 -3.565 171 HE1 PHE 20 HE1 PHE 20 -2.239 -0.385 -0.317 172 HE2 PHE 20 HE2 PHE 20 -3.996 -3.855 -2.137 173 HZ PHE 20 HZ PHE 20 -2.415 -2.851 -0.512 174 H VAL 21 H VAL 21 -3.361 -1.575 -5.820 175 HA VAL 21 HA VAL 21 -5.579 -3.379 -6.740 176 HB VAL 21 HB VAL 21 -2.736 -3.122 -7.770 177 1HG1 VAL 21 1HG1 VAL 21 -3.677 -4.390 -9.705 178 2HG1 VAL 21 2HG1 VAL 21 -5.194 -4.556 -8.820 179 3HG1 VAL 21 3HG1 VAL 21 -3.725 -5.311 -8.202 180 1HG2 VAL 21 1HG2 VAL 21 -4.122 -2.137 -9.782 181 2HG2 VAL 21 2HG2 VAL 21 -3.698 -1.095 -8.424 182 3HG2 VAL 21 3HG2 VAL 21 -5.317 -1.786 -8.534 183 H TYR 22 H TYR 22 -4.891 -5.741 -6.711 184 HA TYR 22 HA TYR 22 -2.782 -6.430 -4.741 185 1HB TYR 22 2HB TYR 22 -4.740 -5.956 -3.375 186 2HB TYR 22 1HB TYR 22 -5.752 -6.963 -4.409 187 HD1 TYR 22 HD1 TYR 22 -2.929 -7.009 -1.995 188 HD2 TYR 22 HD2 TYR 22 -5.803 -9.345 -4.172 189 HE1 TYR 22 HE1 TYR 22 -2.343 -8.999 -0.634 190 HE2 TYR 22 HE2 TYR 22 -5.217 -11.334 -2.811 191 HH TYR 22 HH TYR 22 -4.213 -11.921 -0.755 192 H GLY 23 H GLY 23 -2.013 -7.366 -6.879 193 1HA GLY 23 2HA GLY 23 -3.478 -9.874 -7.584 194 2HA GLY 23 1HA GLY 23 -2.415 -9.002 -8.689 195 H GLY 24 H GLY 24 -0.475 -9.963 -8.952 196 1HA GLY 24 2HA GLY 24 1.471 -10.551 -7.132 197 2HA GLY 24 1HA GLY 24 0.444 -11.983 -7.034 198 H CYS 25 H CYS 25 1.122 -10.053 -9.934 199 HA CYS 25 HA CYS 25 2.943 -12.113 -11.004 200 1HB CYS 25 2HB CYS 25 0.482 -12.854 -11.213 201 2HB CYS 25 1HB CYS 25 0.316 -11.557 -12.395 202 1HN NH2 26 1H CYS 25 3.578 -9.414 -10.619 203 2HN NH2 26 2H CYS 25 3.623 -8.598 -12.107 204 1HA MPT 1 1HA MPT 1 4.687 -11.329 4.599 205 2HA MPT 1 2HA MPT 1 3.310 -12.374 4.979 206 1HB MPT 1 1HB MPT 1 4.068 -13.933 3.225 207 2HB MPT 1 2HB MPT 1 5.382 -13.632 4.363 208 H LYS 2 H LYS 2 2.062 -12.973 2.795 209 HA LYS 2 HA LYS 2 0.752 -12.178 0.989 210 1HB LYS 2 2HB LYS 2 0.528 -10.590 3.242 211 2HB LYS 2 1HB LYS 2 0.869 -9.410 1.976 212 1HG LYS 2 2HG LYS 2 -1.118 -9.781 0.910 213 2HG LYS 2 1HG LYS 2 -1.105 -11.507 1.273 214 1HD LYS 2 2HD LYS 2 -1.344 -10.058 3.737 215 2HD LYS 2 1HD LYS 2 -2.560 -9.457 2.608 216 1HE LYS 2 2HE LYS 2 -3.793 -11.283 3.162 217 2HE LYS 2 1HE LYS 2 -2.599 -12.247 2.268 218 1HZ LYS 2 1HZ LYS 2 -2.735 -13.007 4.552 219 2HZ LYS 2 2HZ LYS 2 -2.412 -11.440 5.124 220 3HZ LYS 2 3HZ LYS 2 -1.220 -12.298 4.269 221 H ALA 3 H ALA 3 3.055 -12.468 -0.160 222 HA ALA 3 HA ALA 3 4.201 -9.878 -1.049 223 1HB ALA 3 1HB ALA 3 5.862 -11.452 -0.565 224 2HB ALA 3 2HB ALA 3 5.677 -11.676 -2.305 225 3HB ALA 3 3HB ALA 3 4.903 -12.797 -1.184 226 H ARG 4 H ARG 4 2.124 -9.334 -2.232 227 HA ARG 4 HA ARG 4 2.345 -9.897 -5.046 228 1HB ARG 4 2HB ARG 4 0.428 -11.390 -5.282 229 2HB ARG 4 1HB ARG 4 1.557 -12.100 -4.130 230 1HG ARG 4 2HG ARG 4 -0.167 -10.395 -2.652 231 2HG ARG 4 1HG ARG 4 -1.187 -11.367 -3.713 232 1HD ARG 4 2HD ARG 4 0.978 -12.909 -2.442 233 2HD ARG 4 1HD ARG 4 -0.202 -12.243 -1.296 234 HE ARG 4 HE ARG 4 -1.530 -13.354 -3.609 235 1HH1 ARG 4 1HH2 ARG 4 0.672 -15.101 -1.971 236 2HH1 ARG 4 2HH2 ARG 4 -0.433 -16.161 -1.162 237 1HH2 ARG 4 1HH1 ARG 4 -3.239 -14.303 -2.000 238 2HH2 ARG 4 2HH1 ARG 4 -2.648 -15.709 -1.178 239 H ILE 5 H ILE 5 1.854 -7.659 -3.152 240 HA ILE 5 HA ILE 5 -0.877 -6.779 -4.007 241 HB ILE 5 HB ILE 5 0.932 -5.595 -1.889 242 1HG1 ILE 5 2HG1 ILE 5 -1.176 -7.752 -1.554 243 2HG1 ILE 5 1HG1 ILE 5 0.564 -8.023 -1.465 244 1HG2 ILE 5 1HG2 ILE 5 -1.943 -5.350 -2.698 245 2HG2 ILE 5 2HG2 ILE 5 -0.808 -4.093 -2.204 246 3HG2 ILE 5 3HG2 ILE 5 -1.526 -5.157 -0.996 247 1HD1 ILE 5 1HD1 ILE 5 -0.888 -6.040 0.301 248 2HD1 ILE 5 2HD1 ILE 5 0.769 -6.618 0.473 249 3HD1 ILE 5 3HD1 ILE 5 -0.581 -7.710 0.778 250 H ILE 6 H ILE 6 -0.875 -5.367 -5.704 251 HA ILE 6 HA ILE 6 1.499 -3.561 -6.046 252 HB ILE 6 HB ILE 6 0.688 -3.639 -8.493 253 1HG1 ILE 6 2HG1 ILE 6 -0.748 -6.108 -7.473 254 2HG1 ILE 6 1HG1 ILE 6 -1.570 -4.586 -7.824 255 1HG2 ILE 6 1HG2 ILE 6 1.583 -6.107 -8.676 256 2HG2 ILE 6 2HG2 ILE 6 1.889 -5.921 -6.950 257 3HG2 ILE 6 3HG2 ILE 6 2.657 -4.831 -8.104 258 1HD1 ILE 6 1HD1 ILE 6 -0.921 -6.638 -9.656 259 2HD1 ILE 6 2HD1 ILE 6 0.156 -5.292 -10.026 260 3HD1 ILE 6 3HD1 ILE 6 -1.589 -5.048 -10.026 261 H ARG 7 H ARG 7 0.930 -1.403 -6.969 262 HA ARG 7 HA ARG 7 -1.932 -0.628 -6.675 263 1HB ARG 7 2HB ARG 7 -1.175 1.261 -5.197 264 2HB ARG 7 1HB ARG 7 -0.923 -0.332 -4.479 265 1HG ARG 7 2HG ARG 7 1.403 -0.292 -4.935 266 2HG ARG 7 1HG ARG 7 1.239 1.044 -6.074 267 1HD ARG 7 2HD ARG 7 1.737 2.438 -4.354 268 2HD ARG 7 1HD ARG 7 0.171 2.003 -3.643 269 HE ARG 7 HE ARG 7 2.503 0.204 -3.192 270 1HH1 ARG 7 1HH1 ARG 7 2.214 2.865 -1.591 271 2HH1 ARG 7 2HH1 ARG 7 1.495 2.259 -0.135 272 1HH2 ARG 7 1HH2 ARG 7 0.649 -0.808 -1.517 273 2HH2 ARG 7 2HH2 ARG 7 0.609 0.179 -0.094 274 H TYR 8 H TYR 8 -2.492 1.157 -7.949 275 HA TYR 8 HA TYR 8 -0.305 2.343 -9.627 276 1HB TYR 8 2HB TYR 8 -3.185 1.706 -10.355 277 2HB TYR 8 1HB TYR 8 -1.953 2.334 -11.451 278 HD1 TYR 8 HD1 TYR 8 0.401 0.732 -10.408 279 HD2 TYR 8 HD2 TYR 8 -3.623 -0.412 -11.384 280 HE1 TYR 8 HE1 TYR 8 1.169 -1.580 -10.871 281 HE2 TYR 8 HE2 TYR 8 -2.854 -2.724 -11.848 282 HH TYR 8 HH TYR 8 0.590 -3.566 -11.758 283 H PHE 9 H PHE 9 -0.657 3.775 -7.448 284 HA PHE 9 HA PHE 9 -2.922 5.656 -7.694 285 1HB PHE 9 2HB PHE 9 -2.349 4.941 -5.491 286 2HB PHE 9 1HB PHE 9 -0.629 5.216 -5.771 287 HD1 PHE 9 HD1 PHE 9 -0.204 6.782 -3.997 288 HD2 PHE 9 HD2 PHE 9 -3.358 7.496 -6.827 289 HE1 PHE 9 HE1 PHE 9 -0.435 9.103 -3.154 290 HE2 PHE 9 HE2 PHE 9 -3.588 9.817 -5.983 291 HZ PHE 9 HZ PHE 9 -2.127 10.621 -4.147 292 H TYR 10 H TYR 10 -2.548 7.008 -9.467 293 HA TYR 10 HA TYR 10 0.065 8.489 -9.529 294 1HB TYR 10 2HB TYR 10 -0.661 8.818 -11.965 295 2HB TYR 10 1HB TYR 10 -0.261 7.167 -11.506 296 HD1 TYR 10 HD1 TYR 10 -3.217 9.483 -11.504 297 HD2 TYR 10 HD2 TYR 10 -1.758 5.487 -12.093 298 HE1 TYR 10 HE1 TYR 10 -5.492 8.750 -12.163 299 HE2 TYR 10 HE2 TYR 10 -4.034 4.753 -12.752 300 HH TYR 10 HH TYR 10 -6.753 6.397 -12.107 301 H ASN 11 H ASN 11 -0.945 10.522 -11.315 302 HA ASN 11 HA ASN 11 -2.915 11.918 -9.529 303 1HB ASN 11 2HB ASN 11 -1.645 13.938 -9.933 304 2HB ASN 11 1HB ASN 11 -0.497 12.681 -9.473 305 1HD2 ASN 11 1HD2 ASN 11 1.105 12.092 -11.000 306 2HD2 ASN 11 2HD2 ASN 11 1.198 12.746 -12.564 307 H ALA 12 H ALA 12 -3.475 14.097 -11.090 308 HA ALA 12 HA ALA 12 -4.989 12.880 -13.321 309 1HB ALA 12 1HB ALA 12 -5.908 15.290 -13.340 310 2HB ALA 12 2HB ALA 12 -4.926 15.546 -11.898 311 3HB ALA 12 3HB ALA 12 -6.210 14.336 -11.888 312 H LYS 13 H LYS 13 -2.920 15.768 -12.913 313 HA LYS 13 HA LYS 13 -2.446 16.932 -15.216 314 1HB LYS 13 2HB LYS 13 -0.949 16.502 -13.005 315 2HB LYS 13 1HB LYS 13 0.042 15.669 -14.204 316 1HG LYS 13 2HG LYS 13 0.856 17.864 -14.324 317 2HG LYS 13 1HG LYS 13 -0.323 17.827 -15.637 318 1HD LYS 13 2HD LYS 13 -2.031 18.683 -13.935 319 2HD LYS 13 1HD LYS 13 -0.661 19.006 -12.873 320 1HE LYS 13 2HE LYS 13 -0.034 20.841 -14.070 321 2HE LYS 13 1HE LYS 13 -0.293 20.017 -15.621 322 1HZ LYS 13 1HZ LYS 13 -2.528 20.843 -13.858 323 2HZ LYS 13 2HZ LYS 13 -2.605 20.355 -15.483 324 3HZ LYS 13 3HZ LYS 13 -1.916 21.853 -15.075 325 H ASP 14 H ASP 14 -0.521 13.931 -14.811 326 HA ASP 14 HA ASP 14 -0.899 13.455 -17.752 327 1HB ASP 14 2HB ASP 14 1.381 14.193 -16.722 328 2HB ASP 14 1HB ASP 14 1.459 12.541 -16.107 329 H GLY 15 H GLY 15 -1.539 12.253 -14.656 330 1HA GLY 15 2HA GLY 15 -2.686 10.236 -14.132 331 2HA GLY 15 1HA GLY 15 -2.393 9.676 -15.778 332 H CLH 16 H CLH 16 0.042 10.851 -13.473 333 HA CLH 16 HA CLH 16 1.024 8.101 -12.996 334 1HB CLH 16 1HB CLH 16 3.250 9.626 -13.938 335 2HB CLH 16 2HB CLH 16 1.950 9.784 -15.122 336 1HG CLH 16 1HG CLH 16 1.785 7.130 -14.591 337 2HG CLH 16 2HG CLH 16 3.509 7.387 -14.320 338 1HD CLH 16 1HD CLH 16 3.884 7.549 -16.537 339 2HD CLH 16 2HD CLH 16 2.642 8.791 -16.699 340 1HE CLH 16 1HE CLH 16 1.966 6.903 -18.073 341 2HE CLH 16 2HE CLH 16 0.921 6.900 -16.638 342 HNZ CLH 16 HNZ CLH 16 2.252 5.066 -15.746 343 1HI CLH 16 1HI CLH 16 4.862 3.426 -17.098 344 2HI CLH 16 2HI CLH 16 3.533 3.287 -15.945 345 HNJ CLH 16 HNJ CLH 16 2.314 2.526 -18.256 346 HL CLH 16 HL CLH 16 3.652 -0.339 -19.353 347 2HN ABA 17 HN ABA 17 1.364 8.205 -10.797 348 HA ABA 17 HA ABA 17 3.080 10.388 -9.759 349 1HB ABA 17 1HB ABA 17 0.651 9.737 -8.171 350 2HB ABA 17 2HB ABA 17 0.421 10.688 -9.638 351 1HG ABA 17 1HG ABA 17 2.197 11.348 -7.276 352 2HG ABA 17 2HG ABA 17 0.788 12.246 -7.841 353 3HG ABA 17 3HG ABA 17 2.264 12.219 -8.807 354 H GLN 18 H GLN 18 1.485 7.271 -9.200 355 HA GLN 18 HA GLN 18 3.836 6.336 -7.699 356 1HB GLN 18 2HB GLN 18 1.655 7.580 -6.391 357 2HB GLN 18 1HB GLN 18 1.501 5.853 -6.065 358 1HG GLN 18 2HG GLN 18 3.796 5.759 -5.245 359 2HG GLN 18 1HG GLN 18 4.046 7.453 -5.667 360 1HE2 GLN 18 1HE2 GLN 18 3.289 9.050 -4.194 361 2HE2 GLN 18 2HE2 GLN 18 2.501 8.677 -2.738 362 H THR 19 H THR 19 3.389 5.047 -9.862 363 HA THR 19 HA THR 19 1.458 2.822 -9.301 364 HB THR 19 HB THR 19 2.601 3.930 -11.885 365 HG1 THR 19 HG1 THR 19 -0.078 3.895 -10.993 366 1HG2 THR 19 1HG2 THR 19 1.892 1.355 -11.531 367 2HG2 THR 19 2HG2 THR 19 1.600 2.221 -13.039 368 3HG2 THR 19 3HG2 THR 19 0.303 2.045 -11.858 369 H PHE 20 H PHE 20 2.804 1.327 -8.242 370 HA PHE 20 HA PHE 20 4.948 0.121 -9.904 371 1HB PHE 20 2HB PHE 20 6.511 0.286 -7.945 372 2HB PHE 20 1HB PHE 20 6.067 1.858 -8.609 373 HD1 PHE 20 HD1 PHE 20 6.167 -0.165 -5.667 374 HD2 PHE 20 HD2 PHE 20 4.024 3.056 -7.534 375 HE1 PHE 20 HE1 PHE 20 5.267 0.517 -3.459 376 HE2 PHE 20 HE2 PHE 20 3.124 3.738 -5.325 377 HZ PHE 20 HZ PHE 20 3.746 2.467 -3.287 378 H VAL 21 H VAL 21 5.981 -1.599 -7.962 379 HA VAL 21 HA VAL 21 3.601 -3.307 -7.377 380 HB VAL 21 HB VAL 21 5.376 -4.202 -8.829 381 1HG1 VAL 21 1HG1 VAL 21 7.519 -3.642 -8.438 382 2HG1 VAL 21 2HG1 VAL 21 7.480 -4.574 -6.941 383 3HG1 VAL 21 3HG1 VAL 21 7.050 -2.863 -6.927 384 1HG2 VAL 21 1HG2 VAL 21 5.362 -6.282 -7.855 385 2HG2 VAL 21 2HG2 VAL 21 4.217 -5.503 -6.763 386 3HG2 VAL 21 3HG2 VAL 21 5.909 -5.668 -6.294 387 H TYR 22 H TYR 22 3.417 -4.289 -5.268 388 HA TYR 22 HA TYR 22 5.236 -3.235 -3.145 389 1HB TYR 22 2HB TYR 22 3.329 -1.715 -3.304 390 2HB TYR 22 1HB TYR 22 2.207 -3.073 -3.237 391 HD1 TYR 22 HD1 TYR 22 1.074 -3.010 -1.190 392 HD2 TYR 22 HD2 TYR 22 5.307 -2.285 -1.282 393 HE1 TYR 22 HE1 TYR 22 1.114 -2.927 1.289 394 HE2 TYR 22 HE2 TYR 22 5.348 -2.201 1.195 395 HH TYR 22 HH TYR 22 2.883 -1.673 3.057 396 H GLY 23 H GLY 23 5.892 -5.611 -3.424 397 1HA GLY 23 2HA GLY 23 4.115 -7.750 -2.787 398 2HA GLY 23 1HA GLY 23 5.870 -7.815 -2.618 399 H GLY 24 H GLY 24 6.521 -6.132 -0.670 400 1HA GLY 24 2HA GLY 24 5.695 -5.390 1.581 401 2HA GLY 24 1HA GLY 24 4.775 -6.895 1.639 402 H CYS 25 H CYS 25 6.705 -8.693 0.690 403 HA CYS 25 HA CYS 25 8.534 -8.781 3.033 404 1HB CYS 25 2HB CYS 25 7.781 -10.782 0.874 405 2HB CYS 25 1HB CYS 25 8.792 -11.142 2.274 406 1HN NH2 26 1H CYS 25 10.555 -10.436 1.766 407 2HN NH2 26 2H CYS 25 11.434 -9.465 0.687 Start of MODEL 15 1 1HA MPT 1 1HA MPT 1 -7.073 -13.021 5.895 2 2HA MPT 1 2HA MPT 1 -8.448 -13.748 5.049 3 1HB MPT 1 1HB MPT 1 -7.128 -13.094 2.905 4 2HB MPT 1 2HB MPT 1 -6.516 -14.450 3.852 5 H LYS 2 H LYS 2 -9.747 -12.388 3.699 6 HA LYS 2 HA LYS 2 -10.652 -10.330 2.918 7 1HB LYS 2 2HB LYS 2 -11.394 -9.040 4.857 8 2HB LYS 2 1HB LYS 2 -11.466 -10.759 5.243 9 1HG LYS 2 2HG LYS 2 -9.455 -10.658 6.524 10 2HG LYS 2 1HG LYS 2 -9.061 -9.052 5.908 11 1HD LYS 2 2HD LYS 2 -11.172 -8.206 7.006 12 2HD LYS 2 1HD LYS 2 -11.334 -9.788 7.769 13 1HE LYS 2 2HE LYS 2 -10.188 -8.368 9.356 14 2HE LYS 2 1HE LYS 2 -8.954 -9.444 8.668 15 1HZ LYS 2 1HZ LYS 2 -8.528 -6.909 8.667 16 2HZ LYS 2 2HZ LYS 2 -9.598 -6.889 7.348 17 3HZ LYS 2 3HZ LYS 2 -8.167 -7.802 7.272 18 H ALA 3 H ALA 3 -7.915 -10.336 2.288 19 HA ALA 3 HA ALA 3 -6.924 -7.654 3.169 20 1HB ALA 3 1HB ALA 3 -4.791 -8.525 2.793 21 2HB ALA 3 2HB ALA 3 -5.358 -9.638 1.548 22 3HB ALA 3 3HB ALA 3 -5.668 -9.985 3.249 23 H CLG 4 H CLG 4 -8.996 -7.402 1.391 24 HA CLG 4 HA CLG 4 -7.853 -7.218 -1.349 25 1HB CLG 4 1HB CLG 4 -10.097 -8.234 -0.842 26 2HB CLG 4 2HB CLG 4 -10.188 -6.884 -1.975 27 1HG CLG 4 1HG CLG 4 -10.415 -6.239 0.928 28 2HG CLG 4 2HG CLG 4 -11.788 -7.055 0.179 29 1HD CLG 4 1HD CLG 4 -11.638 -5.281 -1.665 30 2HD CLG 4 2HD CLG 4 -10.542 -4.408 -0.592 31 1HE CLG 4 1HE CLG 4 -13.086 -5.350 0.637 32 2HE CLG 4 2HE CLG 4 -13.221 -4.029 -0.541 33 HNZ CLG 4 HNZ CLG 4 -11.807 -3.919 2.048 34 1HI CLG 4 1HI CLG 4 -11.872 -1.161 2.530 35 2HI CLG 4 2HI CLG 4 -10.331 -2.012 2.407 36 HNJ CLG 4 HNJ CLG 4 -10.565 -0.154 0.237 37 1HL CLG 4 1HL CLG 4 -8.525 1.466 0.463 38 2HL CLG 4 2HL CLG 4 -10.026 2.356 0.711 39 H ILE 5 H ILE 5 -8.269 -5.141 -2.554 40 HA ILE 5 HA ILE 5 -8.925 -2.683 -1.228 41 HB ILE 5 HB ILE 5 -6.892 -3.228 0.041 42 1HG1 ILE 5 2HG1 ILE 5 -5.837 -1.142 -1.794 43 2HG1 ILE 5 1HG1 ILE 5 -7.438 -0.836 -1.117 44 1HG2 ILE 5 1HG2 ILE 5 -6.041 -4.295 -2.404 45 2HG2 ILE 5 2HG2 ILE 5 -5.089 -4.179 -0.924 46 3HG2 ILE 5 3HG2 ILE 5 -4.991 -2.902 -2.137 47 1HD1 ILE 5 1HD1 ILE 5 -4.826 -1.222 0.335 48 2HD1 ILE 5 2HD1 ILE 5 -6.362 -1.499 1.154 49 3HD1 ILE 5 3HD1 ILE 5 -5.991 0.093 0.492 50 H ILE 6 H ILE 6 -9.906 -3.058 -3.539 51 HA ILE 6 HA ILE 6 -8.035 -2.363 -5.733 52 HB ILE 6 HB ILE 6 -11.020 -2.743 -5.943 53 1HG1 ILE 6 2HG1 ILE 6 -9.987 -5.241 -6.425 54 2HG1 ILE 6 1HG1 ILE 6 -8.993 -4.706 -5.070 55 1HG2 ILE 6 1HG2 ILE 6 -10.087 -3.964 -8.063 56 2HG2 ILE 6 2HG2 ILE 6 -8.610 -3.067 -7.711 57 3HG2 ILE 6 3HG2 ILE 6 -10.114 -2.201 -8.030 58 1HD1 ILE 6 1HD1 ILE 6 -10.693 -5.171 -3.675 59 2HD1 ILE 6 2HD1 ILE 6 -11.724 -5.606 -5.039 60 3HD1 ILE 6 3HD1 ILE 6 -11.658 -3.934 -4.480 61 H ARG 7 H ARG 7 -8.291 -0.272 -3.873 62 HA ARG 7 HA ARG 7 -10.260 1.653 -4.103 63 1HB ARG 7 2HB ARG 7 -7.238 1.892 -4.132 64 2HB ARG 7 1HB ARG 7 -8.304 3.277 -3.898 65 1HG ARG 7 2HG ARG 7 -9.340 2.102 -1.954 66 2HG ARG 7 1HG ARG 7 -8.163 0.802 -2.153 67 1HD ARG 7 2HD ARG 7 -7.087 3.586 -1.985 68 2HD ARG 7 1HD ARG 7 -7.691 2.849 -0.487 69 HE ARG 7 HE ARG 7 -6.122 0.904 -1.849 70 1HH1 ARG 7 1HH2 ARG 7 -5.610 4.111 -0.753 71 2HH1 ARG 7 2HH2 ARG 7 -4.086 3.764 -0.006 72 1HH2 ARG 7 1HH1 ARG 7 -4.236 0.363 -0.665 73 2HH2 ARG 7 2HH1 ARG 7 -3.308 1.642 0.044 74 H TYR 8 H TYR 8 -11.307 2.002 -6.079 75 HA TYR 8 HA TYR 8 -9.568 2.777 -8.399 76 1HB TYR 8 2HB TYR 8 -11.469 0.732 -8.098 77 2HB TYR 8 1HB TYR 8 -12.275 1.971 -9.064 78 HD1 TYR 8 HD1 TYR 8 -9.819 -0.658 -9.055 79 HD2 TYR 8 HD2 TYR 8 -11.043 2.908 -11.113 80 HE1 TYR 8 HE1 TYR 8 -8.504 -1.354 -11.036 81 HE2 TYR 8 HE2 TYR 8 -9.727 2.213 -13.094 82 HH TYR 8 HH TYR 8 -8.883 -0.481 -13.889 83 H PHE 9 H PHE 9 -9.908 4.940 -7.017 84 HA PHE 9 HA PHE 9 -12.523 6.228 -7.537 85 1HB PHE 9 2HB PHE 9 -9.980 7.362 -6.334 86 2HB PHE 9 1HB PHE 9 -11.625 7.955 -6.107 87 HD1 PHE 9 HD1 PHE 9 -13.192 5.570 -5.614 88 HD2 PHE 9 HD2 PHE 9 -9.224 6.529 -4.276 89 HE1 PHE 9 HE1 PHE 9 -13.477 4.045 -3.680 90 HE2 PHE 9 HE2 PHE 9 -9.509 5.005 -2.341 91 HZ PHE 9 HZ PHE 9 -11.635 3.762 -2.043 92 H TYR 10 H TYR 10 -12.742 6.877 -9.669 93 HA TYR 10 HA TYR 10 -10.847 7.334 -11.616 94 1HB TYR 10 2HB TYR 10 -13.397 7.476 -11.703 95 2HB TYR 10 1HB TYR 10 -13.224 9.153 -11.178 96 HD1 TYR 10 HD1 TYR 10 -11.474 6.885 -13.609 97 HD2 TYR 10 HD2 TYR 10 -13.318 10.699 -12.909 98 HE1 TYR 10 HE1 TYR 10 -10.950 7.564 -15.936 99 HE2 TYR 10 HE2 TYR 10 -12.797 11.379 -15.237 100 HH TYR 10 HH TYR 10 -10.739 9.451 -17.295 101 H ASN 11 H ASN 11 -10.086 9.488 -12.532 102 HA ASN 11 HA ASN 11 -8.924 11.093 -10.327 103 1HB ASN 11 2HB ASN 11 -7.461 11.899 -12.225 104 2HB ASN 11 1HB ASN 11 -7.394 10.162 -11.953 105 1HD2 ASN 11 1HD2 ASN 11 -6.837 9.751 -14.221 106 2HD2 ASN 11 2HD2 ASN 11 -7.998 9.915 -15.450 107 H ALA 12 H ALA 12 -11.752 11.363 -11.779 108 HA ALA 12 HA ALA 12 -11.909 13.776 -13.176 109 1HB ALA 12 1HB ALA 12 -14.116 13.806 -11.517 110 2HB ALA 12 2HB ALA 12 -13.613 12.116 -11.445 111 3HB ALA 12 3HB ALA 12 -13.984 12.862 -13.000 112 H LYS 13 H LYS 13 -12.017 15.933 -12.576 113 HA LYS 13 HA LYS 13 -11.453 17.900 -11.439 114 1HB LYS 13 2HB LYS 13 -13.650 17.150 -10.504 115 2HB LYS 13 1HB LYS 13 -12.776 16.327 -9.212 116 1HG LYS 13 2HG LYS 13 -13.283 18.396 -8.234 117 2HG LYS 13 1HG LYS 13 -11.645 18.653 -8.836 118 1HD LYS 13 2HD LYS 13 -12.494 20.457 -9.906 119 2HD LYS 13 1HD LYS 13 -13.206 19.297 -11.026 120 1HE LYS 13 2HE LYS 13 -15.309 19.702 -10.258 121 2HE LYS 13 1HE LYS 13 -14.782 19.635 -8.565 122 1HZ LYS 13 1HZ LYS 13 -13.794 21.826 -8.817 123 2HZ LYS 13 2HZ LYS 13 -15.454 21.883 -9.178 124 3HZ LYS 13 3HZ LYS 13 -14.308 21.899 -10.432 125 H ASP 14 H ASP 14 -11.106 15.398 -8.989 126 HA ASP 14 HA ASP 14 -8.813 16.598 -7.718 127 1HB ASP 14 2HB ASP 14 -10.192 13.913 -7.696 128 2HB ASP 14 1HB ASP 14 -8.717 14.170 -6.765 129 H GLY 15 H GLY 15 -9.158 14.955 -10.679 130 1HA GLY 15 2HA GLY 15 -7.564 13.978 -12.133 131 2HA GLY 15 1HA GLY 15 -6.425 15.076 -11.360 132 H LEU 16 H LEU 16 -8.165 12.570 -9.594 133 HA LEU 16 HA LEU 16 -5.543 11.139 -9.223 134 1HB LEU 16 2HB LEU 16 -6.053 12.293 -7.216 135 2HB LEU 16 1HB LEU 16 -7.771 11.922 -7.341 136 HG LEU 16 HG LEU 16 -5.963 9.570 -7.198 137 1HD1 LEU 16 1HD1 LEU 16 -4.826 10.341 -5.395 138 2HD1 LEU 16 2HD1 LEU 16 -6.346 10.171 -4.520 139 3HD1 LEU 16 3HD1 LEU 16 -5.898 11.729 -5.214 140 1HD2 LEU 16 1HD2 LEU 16 -8.704 10.202 -6.832 141 2HD2 LEU 16 2HD2 LEU 16 -8.091 9.719 -5.250 142 3HD2 LEU 16 3HD2 LEU 16 -7.935 8.629 -6.628 143 2HN ABA 17 HN ABA 17 -5.883 9.326 -10.598 144 HA ABA 17 HA ABA 17 -8.470 7.861 -10.369 145 1HB ABA 17 1HB ABA 17 -6.074 7.439 -12.188 146 2HB ABA 17 2HB ABA 17 -7.479 8.426 -12.595 147 1HG ABA 17 1HG ABA 17 -7.888 5.588 -11.696 148 2HG ABA 17 2HG ABA 17 -7.379 5.898 -13.356 149 3HG ABA 17 3HG ABA 17 -8.893 6.575 -12.758 150 H GLN 18 H GLN 18 -7.341 7.534 -8.018 151 HA GLN 18 HA GLN 18 -5.226 5.775 -7.559 152 1HB GLN 18 2HB GLN 18 -7.818 6.436 -6.219 153 2HB GLN 18 1HB GLN 18 -6.874 5.090 -5.578 154 1HG GLN 18 2HG GLN 18 -4.868 6.679 -5.591 155 2HG GLN 18 1HG GLN 18 -6.029 7.978 -5.867 156 1HE2 GLN 18 1HE2 GLN 18 -5.119 8.651 -3.612 157 2HE2 GLN 18 2HE2 GLN 18 -5.900 8.004 -2.252 158 H THR 19 H THR 19 -4.871 3.750 -8.294 159 HA THR 19 HA THR 19 -7.201 1.895 -8.617 160 HB THR 19 HB THR 19 -4.888 2.508 -10.477 161 HG1 THR 19 HG1 THR 19 -6.491 3.728 -11.121 162 1HG2 THR 19 1HG2 THR 19 -4.898 0.356 -11.128 163 2HG2 THR 19 2HG2 THR 19 -6.571 0.570 -11.644 164 3HG2 THR 19 3HG2 THR 19 -6.218 -0.015 -10.019 165 H PHE 20 H PHE 20 -6.528 1.014 -6.522 166 HA PHE 20 HA PHE 20 -3.816 -0.132 -6.293 167 1HB PHE 20 2HB PHE 20 -6.272 0.052 -4.530 168 2HB PHE 20 1HB PHE 20 -4.813 -0.801 -4.030 169 HD1 PHE 20 HD1 PHE 20 -5.683 2.479 -5.657 170 HD2 PHE 20 HD2 PHE 20 -3.341 0.409 -2.710 171 HE1 PHE 20 HE1 PHE 20 -4.661 4.627 -4.959 172 HE2 PHE 20 HE2 PHE 20 -2.321 2.558 -2.012 173 HZ PHE 20 HZ PHE 20 -2.981 4.667 -3.136 174 H VAL 21 H VAL 21 -3.490 -2.430 -5.908 175 HA VAL 21 HA VAL 21 -5.746 -4.258 -6.528 176 HB VAL 21 HB VAL 21 -3.152 -4.232 -8.097 177 1HG1 VAL 21 1HG1 VAL 21 -3.936 -6.087 -9.145 178 2HG1 VAL 21 2HG1 VAL 21 -5.582 -5.459 -9.216 179 3HG1 VAL 21 3HG1 VAL 21 -5.000 -6.242 -7.748 180 1HG2 VAL 21 1HG2 VAL 21 -5.875 -3.071 -8.752 181 2HG2 VAL 21 2HG2 VAL 21 -4.619 -3.349 -9.959 182 3HG2 VAL 21 3HG2 VAL 21 -4.344 -2.202 -8.648 183 H TYR 22 H TYR 22 -3.814 -3.637 -4.256 184 HA TYR 22 HA TYR 22 -1.949 -5.833 -4.026 185 1HB TYR 22 2HB TYR 22 -1.578 -3.850 -2.761 186 2HB TYR 22 1HB TYR 22 -3.232 -3.841 -2.149 187 HD1 TYR 22 HD1 TYR 22 -2.599 -3.793 0.204 188 HD2 TYR 22 HD2 TYR 22 -1.228 -6.925 -2.395 189 HE1 TYR 22 HE1 TYR 22 -1.876 -5.114 2.176 190 HE2 TYR 22 HE2 TYR 22 -0.505 -8.245 -0.424 191 HH TYR 22 HH TYR 22 -1.091 -8.388 2.007 192 H GLY 23 H GLY 23 -2.969 -7.854 -4.277 193 1HA GLY 23 2HA GLY 23 -5.226 -8.442 -2.405 194 2HA GLY 23 1HA GLY 23 -4.940 -9.309 -3.916 195 H GLY 24 H GLY 24 -4.072 -11.294 -3.603 196 1HA GLY 24 2HA GLY 24 -2.923 -13.061 -2.562 197 2HA GLY 24 1HA GLY 24 -1.683 -11.849 -2.233 198 H CYS 25 H CYS 25 -1.224 -12.613 -0.122 199 HA CYS 25 HA CYS 25 -2.862 -11.550 1.999 200 1HB CYS 25 2HB CYS 25 -4.332 -13.381 1.347 201 2HB CYS 25 1HB CYS 25 -2.992 -14.526 1.411 202 1HN NH2 26 1H CYS 25 -1.058 -14.666 1.932 203 2HN NH2 26 2H CYS 25 0.203 -14.143 2.940 204 1HA MPT 1 1HA MPT 1 7.709 -16.280 -7.895 205 2HA MPT 1 2HA MPT 1 8.267 -14.628 -7.587 206 1HB MPT 1 1HB MPT 1 9.858 -16.213 -6.643 207 2HB MPT 1 2HB MPT 1 8.567 -17.089 -5.820 208 H LYS 2 H LYS 2 5.577 -16.596 -7.449 209 HA LYS 2 HA LYS 2 3.406 -16.142 -6.613 210 1HB LYS 2 2HB LYS 2 5.025 -15.635 -4.100 211 2HB LYS 2 1HB LYS 2 3.385 -16.277 -4.203 212 1HG LYS 2 2HG LYS 2 5.949 -17.622 -5.089 213 2HG LYS 2 1HG LYS 2 4.832 -18.158 -3.833 214 1HD LYS 2 2HD LYS 2 3.063 -18.216 -5.733 215 2HD LYS 2 1HD LYS 2 4.450 -18.186 -6.821 216 1HE LYS 2 2HE LYS 2 4.107 -20.213 -4.585 217 2HE LYS 2 1HE LYS 2 3.703 -20.522 -6.285 218 1HZ LYS 2 1HZ LYS 2 5.985 -21.193 -5.781 219 2HZ LYS 2 2HZ LYS 2 6.350 -19.610 -5.285 220 3HZ LYS 2 3HZ LYS 2 5.953 -19.924 -6.906 221 H ALA 3 H ALA 3 3.350 -14.064 -7.892 222 HA ALA 3 HA ALA 3 3.645 -11.631 -6.171 223 1HB ALA 3 1HB ALA 3 3.347 -10.721 -8.711 224 2HB ALA 3 2HB ALA 3 4.014 -12.320 -9.038 225 3HB ALA 3 3HB ALA 3 4.910 -11.179 -8.036 226 H ARG 4 H ARG 4 1.875 -10.119 -6.120 227 HA ARG 4 HA ARG 4 -0.553 -10.462 -7.632 228 1HB ARG 4 2HB ARG 4 -0.139 -12.364 -5.659 229 2HB ARG 4 1HB ARG 4 -1.187 -11.190 -4.862 230 1HG ARG 4 2HG ARG 4 -2.969 -11.732 -6.153 231 2HG ARG 4 1HG ARG 4 -1.994 -11.801 -7.621 232 1HD ARG 4 2HD ARG 4 -1.046 -14.019 -6.539 233 2HD ARG 4 1HD ARG 4 -2.573 -13.980 -5.636 234 HE ARG 4 HE ARG 4 -3.103 -13.418 -8.393 235 1HH1 ARG 4 1HH1 ARG 4 -1.134 -15.907 -7.685 236 2HH1 ARG 4 2HH1 ARG 4 -2.251 -17.186 -8.027 237 1HH2 ARG 4 1HH2 ARG 4 -5.003 -15.086 -8.228 238 2HH2 ARG 4 2HH2 ARG 4 -4.442 -16.721 -8.334 239 H ILE 5 H ILE 5 0.708 -8.126 -7.220 240 HA ILE 5 HA ILE 5 -1.237 -6.523 -5.790 241 HB ILE 5 HB ILE 5 -0.131 -7.358 -3.844 242 1HG1 ILE 5 2HG1 ILE 5 -0.409 -4.783 -4.159 243 2HG1 ILE 5 1HG1 ILE 5 0.579 -5.364 -2.822 244 1HG2 ILE 5 1HG2 ILE 5 2.388 -6.862 -5.424 245 2HG2 ILE 5 2HG2 ILE 5 1.826 -8.368 -4.699 246 3HG2 ILE 5 3HG2 ILE 5 2.420 -7.062 -3.672 247 1HD1 ILE 5 1HD1 ILE 5 1.366 -3.583 -4.854 248 2HD1 ILE 5 2HD1 ILE 5 2.188 -5.097 -5.219 249 3HD1 ILE 5 3HD1 ILE 5 2.404 -4.335 -3.646 250 H ILE 6 H ILE 6 -1.218 -4.539 -6.760 251 HA ILE 6 HA ILE 6 1.304 -3.334 -7.713 252 HB ILE 6 HB ILE 6 0.481 -3.231 -10.043 253 1HG1 ILE 6 2HG1 ILE 6 -1.759 -5.059 -9.145 254 2HG1 ILE 6 1HG1 ILE 6 -1.966 -3.314 -9.294 255 1HG2 ILE 6 1HG2 ILE 6 0.290 -6.079 -9.033 256 2HG2 ILE 6 2HG2 ILE 6 1.819 -5.209 -9.165 257 3HG2 ILE 6 3HG2 ILE 6 0.859 -5.533 -10.610 258 1HD1 ILE 6 1HD1 ILE 6 -0.672 -4.406 -11.651 259 2HD1 ILE 6 2HD1 ILE 6 -2.154 -3.458 -11.535 260 3HD1 ILE 6 3HD1 ILE 6 -2.212 -5.210 -11.349 261 H ARG 7 H ARG 7 0.465 -1.234 -9.110 262 HA ARG 7 HA ARG 7 -2.029 -0.062 -8.138 263 1HB ARG 7 2HB ARG 7 -0.164 -0.088 -6.268 264 2HB ARG 7 1HB ARG 7 0.478 1.283 -7.174 265 1HG ARG 7 2HG ARG 7 -1.605 2.495 -6.935 266 2HG ARG 7 1HG ARG 7 -2.385 1.093 -6.202 267 1HD ARG 7 2HD ARG 7 0.085 2.347 -4.979 268 2HD ARG 7 1HD ARG 7 -1.551 2.893 -4.565 269 HE ARG 7 HE ARG 7 -1.808 0.198 -4.291 270 1HH1 ARG 7 1HH1 ARG 7 -0.332 2.707 -2.604 271 2HH1 ARG 7 2HH1 ARG 7 0.496 1.690 -1.472 272 1HH2 ARG 7 1HH2 ARG 7 -0.345 -1.255 -3.099 273 2HH2 ARG 7 2HH2 ARG 7 0.488 -0.553 -1.753 274 H TYR 8 H TYR 8 -2.295 2.165 -8.997 275 HA TYR 8 HA TYR 8 -0.283 3.077 -10.975 276 1HB TYR 8 2HB TYR 8 -3.067 2.058 -11.572 277 2HB TYR 8 1HB TYR 8 -2.218 3.134 -12.682 278 HD1 TYR 8 HD1 TYR 8 -2.145 -0.192 -11.049 279 HD2 TYR 8 HD2 TYR 8 -0.342 2.371 -13.989 280 HE1 TYR 8 HE1 TYR 8 -0.879 -2.122 -11.956 281 HE2 TYR 8 HE2 TYR 8 0.924 0.441 -14.895 282 HH TYR 8 HH TYR 8 1.734 -1.921 -13.762 283 H PHE 9 H PHE 9 -1.277 4.225 -8.493 284 HA PHE 9 HA PHE 9 -3.134 6.373 -9.354 285 1HB PHE 9 2HB PHE 9 -3.619 6.535 -7.097 286 2HB PHE 9 1HB PHE 9 -3.019 4.880 -7.127 287 HD1 PHE 9 HD1 PHE 9 -0.381 4.660 -6.850 288 HD2 PHE 9 HD2 PHE 9 -2.725 8.018 -5.557 289 HE1 PHE 9 HE1 PHE 9 1.409 5.295 -5.252 290 HE2 PHE 9 HE2 PHE 9 -0.936 8.652 -3.958 291 HZ PHE 9 HZ PHE 9 1.130 7.290 -3.806 292 H TYR 10 H TYR 10 -2.253 8.227 -10.175 293 HA TYR 10 HA TYR 10 0.513 8.987 -9.290 294 1HB TYR 10 2HB TYR 10 -0.538 8.436 -11.809 295 2HB TYR 10 1HB TYR 10 -0.518 10.198 -11.747 296 HD1 TYR 10 HD1 TYR 10 1.757 10.997 -10.292 297 HD2 TYR 10 HD2 TYR 10 1.352 7.580 -12.864 298 HE1 TYR 10 HE1 TYR 10 4.209 10.985 -10.661 299 HE2 TYR 10 HE2 TYR 10 3.805 7.568 -13.233 300 HH TYR 10 HH TYR 10 5.689 9.360 -13.119 301 H ASN 11 H ASN 11 -2.413 9.725 -8.350 302 HA ASN 11 HA ASN 11 -3.036 12.404 -8.882 303 1HB ASN 11 2HB ASN 11 -4.485 11.070 -7.551 304 2HB ASN 11 1HB ASN 11 -3.197 10.666 -6.415 305 1HD2 ASN 11 1HD2 ASN 11 -4.290 13.843 -7.740 306 2HD2 ASN 11 2HD2 ASN 11 -4.539 14.554 -6.218 307 H ALA 12 H ALA 12 -1.362 13.922 -8.990 308 HA ALA 12 HA ALA 12 1.033 14.121 -7.651 309 1HB ALA 12 1HB ALA 12 0.531 15.769 -9.245 310 2HB ALA 12 2HB ALA 12 0.456 16.681 -7.737 311 3HB ALA 12 3HB ALA 12 -1.031 16.134 -8.512 312 H LYS 13 H LYS 13 -1.832 15.903 -6.433 313 HA LYS 13 HA LYS 13 -2.384 16.539 -4.221 314 1HB LYS 13 2HB LYS 13 -2.478 13.911 -4.445 315 2HB LYS 13 1HB LYS 13 -1.077 13.968 -3.377 316 1HG LYS 13 2HG LYS 13 -2.823 13.869 -1.834 317 2HG LYS 13 1HG LYS 13 -2.574 15.610 -1.968 318 1HD LYS 13 2HD LYS 13 -4.413 15.821 -3.523 319 2HD LYS 13 1HD LYS 13 -4.586 14.069 -3.628 320 1HE LYS 13 2HE LYS 13 -4.965 14.166 -1.051 321 2HE LYS 13 1HE LYS 13 -5.287 15.890 -1.327 322 1HZ LYS 13 1HZ LYS 13 -6.954 15.375 -2.906 323 2HZ LYS 13 2HZ LYS 13 -7.274 14.397 -1.553 324 3HZ LYS 13 3HZ LYS 13 -6.536 13.731 -2.932 325 H ASP 14 H ASP 14 -0.702 15.366 -1.935 326 HA ASP 14 HA ASP 14 1.364 17.494 -1.976 327 1HB ASP 14 2HB ASP 14 1.490 16.894 0.446 328 2HB ASP 14 1HB ASP 14 -0.157 17.272 -0.063 329 H GLY 15 H GLY 15 1.218 14.323 -2.949 330 1HA GLY 15 2HA GLY 15 3.858 13.868 -3.505 331 2HA GLY 15 1HA GLY 15 3.757 13.408 -1.805 332 H CLH 16 H CLH 16 1.465 12.078 -1.518 333 HA CLH 16 HA CLH 16 1.825 9.487 -2.392 334 1HB CLH 16 1HB CLH 16 -0.830 9.536 -2.315 335 2HB CLH 16 2HB CLH 16 -0.563 11.181 -1.740 336 1HG CLH 16 1HG CLH 16 -0.051 10.389 0.305 337 2HG CLH 16 2HG CLH 16 1.262 9.434 -0.383 338 1HD CLH 16 1HD CLH 16 -0.420 8.034 0.823 339 2HD CLH 16 2HD CLH 16 -0.283 7.609 -0.884 340 1HE CLH 16 1HE CLH 16 -2.461 8.146 -1.246 341 2HE CLH 16 2HE CLH 16 -2.258 9.722 -0.457 342 HNZ CLH 16 HNZ CLH 16 -2.336 8.278 1.732 343 1HI CLH 16 1HI CLH 16 -3.695 6.800 2.799 344 2HI CLH 16 2HI CLH 16 -5.214 7.609 2.407 345 HNJ CLH 16 HNJ CLH 16 -4.574 4.846 1.444 346 HL CLH 16 HL CLH 16 -6.039 3.363 1.751 347 2HN ABA 17 HN ABA 17 2.564 9.360 -4.587 348 HA ABA 17 HA ABA 17 0.471 9.186 -6.599 349 1HB ABA 17 1HB ABA 17 0.915 11.669 -6.286 350 2HB ABA 17 2HB ABA 17 1.136 11.082 -7.934 351 1HG ABA 17 1HG ABA 17 3.525 10.955 -6.175 352 2HG ABA 17 2HG ABA 17 2.987 12.572 -6.627 353 3HG ABA 17 3HG ABA 17 3.404 11.399 -7.877 354 H GLN 18 H GLN 18 1.185 7.400 -7.695 355 HA GLN 18 HA GLN 18 3.541 7.273 -9.243 356 1HB GLN 18 2HB GLN 18 3.963 7.020 -6.420 357 2HB GLN 18 1HB GLN 18 4.335 5.469 -7.174 358 1HG GLN 18 2HG GLN 18 6.109 6.313 -8.357 359 2HG GLN 18 1HG GLN 18 5.354 7.894 -8.561 360 1HE2 GLN 18 1HE2 GLN 18 7.958 6.521 -7.093 361 2HE2 GLN 18 2HE2 GLN 18 8.111 7.538 -5.742 362 H THR 19 H THR 19 4.241 4.651 -9.246 363 HA THR 19 HA THR 19 1.657 3.134 -9.413 364 HB THR 19 HB THR 19 3.986 3.332 -11.344 365 HG1 THR 19 HG1 THR 19 2.529 4.278 -12.620 366 1HG2 THR 19 1HG2 THR 19 1.567 1.551 -11.664 367 2HG2 THR 19 2HG2 THR 19 3.072 0.966 -10.956 368 3HG2 THR 19 3HG2 THR 19 3.050 1.557 -12.617 369 H PHE 20 H PHE 20 1.870 0.852 -8.977 370 HA PHE 20 HA PHE 20 4.415 0.132 -7.564 371 1HB PHE 20 2HB PHE 20 1.504 -0.581 -7.226 372 2HB PHE 20 1HB PHE 20 2.766 -1.571 -6.498 373 HD1 PHE 20 HD1 PHE 20 2.187 2.123 -6.936 374 HD2 PHE 20 HD2 PHE 20 3.109 -1.103 -4.253 375 HE1 PHE 20 HE1 PHE 20 2.397 3.735 -5.065 376 HE2 PHE 20 HE2 PHE 20 3.318 0.512 -2.383 377 HZ PHE 20 HZ PHE 20 2.961 2.932 -2.789 378 H VAL 21 H VAL 21 5.622 -1.448 -8.522 379 HA VAL 21 HA VAL 21 4.244 -3.396 -10.340 380 HB VAL 21 HB VAL 21 6.853 -1.885 -10.677 381 1HG1 VAL 21 1HG1 VAL 21 7.469 -3.872 -11.660 382 2HG1 VAL 21 2HG1 VAL 21 6.567 -3.186 -13.010 383 3HG1 VAL 21 3HG1 VAL 21 5.801 -4.367 -11.948 384 1HG2 VAL 21 1HG2 VAL 21 5.695 -1.131 -12.786 385 2HG2 VAL 21 2HG2 VAL 21 4.912 -0.575 -11.307 386 3HG2 VAL 21 3HG2 VAL 21 4.234 -1.932 -12.206 387 H TYR 22 H TYR 22 4.298 -4.809 -8.380 388 HA TYR 22 HA TYR 22 6.501 -6.622 -8.365 389 1HB TYR 22 2HB TYR 22 7.974 -5.266 -7.266 390 2HB TYR 22 1HB TYR 22 6.703 -4.163 -6.751 391 HD1 TYR 22 HD1 TYR 22 5.793 -4.267 -4.559 392 HD2 TYR 22 HD2 TYR 22 8.332 -7.427 -5.980 393 HE1 TYR 22 HE1 TYR 22 5.884 -5.222 -2.272 394 HE2 TYR 22 HE2 TYR 22 8.423 -8.381 -3.693 395 HH TYR 22 HH TYR 22 6.353 -7.263 -1.151 396 H GLY 23 H GLY 23 5.410 -8.453 -7.771 397 1HA GLY 23 2HA GLY 23 2.918 -8.408 -6.342 398 2HA GLY 23 1HA GLY 23 3.867 -9.853 -6.686 399 H GLY 24 H GLY 24 4.818 -10.833 -4.961 400 1HA GLY 24 2HA GLY 24 5.786 -9.262 -2.682 401 2HA GLY 24 1HA GLY 24 4.406 -10.297 -2.313 402 H CYS 25 H CYS 25 7.744 -10.337 -3.513 403 HA CYS 25 HA CYS 25 7.900 -13.277 -3.267 404 1HB CYS 25 2HB CYS 25 9.390 -11.043 -4.456 405 2HB CYS 25 1HB CYS 25 10.438 -12.257 -3.723 406 1HN NH2 26 1H CYS 25 7.452 -11.549 -0.788 407 2HN NH2 26 2H CYS 25 8.752 -11.911 0.241 Start of MODEL 16 1 1HA MPT 1 1HA MPT 1 -17.337 -10.300 2.533 2 2HA MPT 1 2HA MPT 1 -17.974 -10.751 0.944 3 1HB MPT 1 1HB MPT 1 -16.096 -12.341 0.702 4 2HB MPT 1 2HB MPT 1 -16.982 -12.675 2.189 5 H LYS 2 H LYS 2 -16.827 -10.054 -0.938 6 HA LYS 2 HA LYS 2 -15.474 -8.568 -2.184 7 1HB LYS 2 2HB LYS 2 -15.741 -7.129 0.479 8 2HB LYS 2 1HB LYS 2 -15.111 -6.379 -0.988 9 1HG LYS 2 2HG LYS 2 -17.648 -7.756 -1.448 10 2HG LYS 2 1HG LYS 2 -17.787 -6.478 -0.240 11 1HD LYS 2 2HD LYS 2 -16.577 -6.154 -3.003 12 2HD LYS 2 1HD LYS 2 -18.179 -5.598 -2.518 13 1HE LYS 2 2HE LYS 2 -15.494 -4.607 -1.518 14 2HE LYS 2 1HE LYS 2 -16.786 -3.672 -2.295 15 1HZ LYS 2 1HZ LYS 2 -18.245 -4.409 -0.414 16 2HZ LYS 2 2HZ LYS 2 -17.013 -3.322 0.022 17 3HZ LYS 2 3HZ LYS 2 -16.851 -4.977 0.368 18 H ALA 3 H ALA 3 -13.654 -10.016 -2.284 19 HA ALA 3 HA ALA 3 -11.688 -10.082 -0.120 20 1HB ALA 3 1HB ALA 3 -10.687 -11.761 -1.446 21 2HB ALA 3 2HB ALA 3 -11.318 -11.071 -2.942 22 3HB ALA 3 3HB ALA 3 -12.403 -11.903 -1.827 23 H CLG 4 H CLG 4 -12.117 -7.424 -1.213 24 HA CLG 4 HA CLG 4 -10.869 -5.583 -1.983 25 1HB CLG 4 1HB CLG 4 -8.467 -5.782 -1.251 26 2HB CLG 4 2HB CLG 4 -8.809 -7.465 -0.850 27 1HG CLG 4 1HG CLG 4 -10.172 -6.900 0.934 28 2HG CLG 4 2HG CLG 4 -10.648 -5.360 0.217 29 1HD CLG 4 1HD CLG 4 -7.781 -5.470 0.743 30 2HD CLG 4 2HD CLG 4 -8.726 -5.729 2.210 31 1HE CLG 4 1HE CLG 4 -9.819 -3.629 2.005 32 2HE CLG 4 2HE CLG 4 -9.362 -3.466 0.298 33 HNZ CLG 4 HNZ CLG 4 -7.098 -3.705 2.163 34 1HI CLG 4 1HI CLG 4 -6.053 -1.571 2.892 35 2HI CLG 4 2HI CLG 4 -5.420 -1.733 1.253 36 HNJ CLG 4 HNJ CLG 4 -7.105 0.637 1.812 37 1HL CLG 4 1HL CLG 4 -5.988 2.562 0.444 38 2HL CLG 4 2HL CLG 4 -5.622 2.756 2.158 39 H ILE 5 H ILE 5 -10.109 -4.831 -3.920 40 HA ILE 5 HA ILE 5 -8.573 -6.678 -5.683 41 HB ILE 5 HB ILE 5 -10.201 -6.257 -7.504 42 1HG1 ILE 5 2HG1 ILE 5 -12.084 -5.086 -5.475 43 2HG1 ILE 5 1HG1 ILE 5 -10.918 -4.035 -6.279 44 1HG2 ILE 5 1HG2 ILE 5 -11.662 -7.215 -5.034 45 2HG2 ILE 5 2HG2 ILE 5 -10.433 -8.183 -5.847 46 3HG2 ILE 5 3HG2 ILE 5 -11.908 -7.732 -6.701 47 1HD1 ILE 5 1HD1 ILE 5 -13.231 -5.537 -7.440 48 2HD1 ILE 5 2HD1 ILE 5 -11.812 -5.272 -8.452 49 3HD1 ILE 5 3HD1 ILE 5 -12.682 -3.895 -7.775 50 H ILE 6 H ILE 6 -8.756 -5.068 -7.991 51 HA ILE 6 HA ILE 6 -6.738 -3.123 -7.588 52 HB ILE 6 HB ILE 6 -7.275 -4.112 -9.745 53 1HG1 ILE 6 2HG1 ILE 6 -8.122 -1.507 -10.612 54 2HG1 ILE 6 1HG1 ILE 6 -6.979 -1.317 -9.282 55 1HG2 ILE 6 1HG2 ILE 6 -9.728 -2.541 -10.187 56 2HG2 ILE 6 2HG2 ILE 6 -9.894 -3.806 -8.969 57 3HG2 ILE 6 3HG2 ILE 6 -9.376 -4.219 -10.603 58 1HD1 ILE 6 1HD1 ILE 6 -6.279 -1.764 -11.912 59 2HD1 ILE 6 2HD1 ILE 6 -6.189 -3.383 -11.217 60 3HD1 ILE 6 3HD1 ILE 6 -5.237 -2.071 -10.523 61 H ARG 7 H ARG 7 -7.406 -1.802 -5.754 62 HA ARG 7 HA ARG 7 -9.794 -0.395 -5.387 63 1HB ARG 7 2HB ARG 7 -8.028 -0.372 -3.761 64 2HB ARG 7 1HB ARG 7 -6.892 0.334 -4.911 65 1HG ARG 7 2HG ARG 7 -9.202 2.029 -4.735 66 2HG ARG 7 1HG ARG 7 -8.618 1.697 -3.107 67 1HD ARG 7 2HD ARG 7 -6.343 2.186 -4.795 68 2HD ARG 7 1HD ARG 7 -7.505 3.513 -4.996 69 HE ARG 7 HE ARG 7 -7.446 2.976 -2.244 70 1HH1 ARG 7 1HH1 ARG 7 -4.912 3.383 -4.511 71 2HH1 ARG 7 2HH1 ARG 7 -4.037 4.523 -3.543 72 1HH2 ARG 7 1HH2 ARG 7 -6.458 4.687 -1.068 73 2HH2 ARG 7 2HH2 ARG 7 -4.912 5.260 -1.597 74 H TYR 8 H TYR 8 -10.514 1.707 -6.087 75 HA TYR 8 HA TYR 8 -8.984 3.115 -8.188 76 1HB TYR 8 2HB TYR 8 -10.903 1.106 -8.754 77 2HB TYR 8 1HB TYR 8 -11.661 2.648 -9.152 78 HD1 TYR 8 HD1 TYR 8 -9.989 4.371 -10.376 79 HD2 TYR 8 HD2 TYR 8 -9.630 0.091 -10.415 80 HE1 TYR 8 HE1 TYR 8 -8.635 4.504 -12.449 81 HE2 TYR 8 HE2 TYR 8 -8.275 0.224 -12.490 82 HH TYR 8 HH TYR 8 -8.145 2.103 -14.480 83 H PHE 9 H PHE 9 -9.085 5.036 -6.955 84 HA PHE 9 HA PHE 9 -11.842 6.120 -6.455 85 1HB PHE 9 2HB PHE 9 -9.261 6.342 -4.880 86 2HB PHE 9 1HB PHE 9 -10.681 7.331 -4.544 87 HD1 PHE 9 HD1 PHE 9 -12.142 6.561 -2.916 88 HD2 PHE 9 HD2 PHE 9 -9.852 3.721 -5.182 89 HE1 PHE 9 HE1 PHE 9 -13.131 4.710 -1.595 90 HE2 PHE 9 HE2 PHE 9 -10.842 1.868 -3.861 91 HZ PHE 9 HZ PHE 9 -12.481 2.364 -2.067 92 H TYR 10 H TYR 10 -11.840 7.254 -8.489 93 HA TYR 10 HA TYR 10 -9.658 9.226 -8.937 94 1HB TYR 10 2HB TYR 10 -9.991 8.372 -11.011 95 2HB TYR 10 1HB TYR 10 -11.487 7.591 -10.513 96 HD1 TYR 10 HD1 TYR 10 -13.647 8.713 -10.772 97 HD2 TYR 10 HD2 TYR 10 -9.994 10.611 -12.001 98 HE1 TYR 10 HE1 TYR 10 -14.950 10.395 -12.046 99 HE2 TYR 10 HE2 TYR 10 -11.297 12.293 -13.275 100 HH TYR 10 HH TYR 10 -14.767 11.987 -13.706 101 H ASN 11 H ASN 11 -10.158 11.471 -9.233 102 HA ASN 11 HA ASN 11 -12.869 12.327 -8.271 103 1HB ASN 11 2HB ASN 11 -10.097 13.316 -7.533 104 2HB ASN 11 1HB ASN 11 -11.578 14.170 -7.097 105 1HD2 ASN 11 1HD2 ASN 11 -13.008 13.156 -5.511 106 2HD2 ASN 11 2HD2 ASN 11 -12.478 11.865 -4.546 107 H ALA 12 H ALA 12 -13.729 13.165 -10.165 108 HA ALA 12 HA ALA 12 -12.424 14.217 -12.397 109 1HB ALA 12 1HB ALA 12 -14.876 15.639 -11.567 110 2HB ALA 12 2HB ALA 12 -14.998 13.881 -11.503 111 3HB ALA 12 3HB ALA 12 -14.571 14.681 -13.016 112 H LYS 13 H LYS 13 -13.333 15.937 -9.407 113 HA LYS 13 HA LYS 13 -12.761 18.587 -10.125 114 1HB LYS 13 2HB LYS 13 -13.124 16.994 -7.776 115 2HB LYS 13 1HB LYS 13 -11.728 18.040 -7.509 116 1HG LYS 13 2HG LYS 13 -13.325 19.873 -8.580 117 2HG LYS 13 1HG LYS 13 -14.585 18.781 -8.004 118 1HD LYS 13 2HD LYS 13 -12.481 19.213 -6.016 119 2HD LYS 13 1HD LYS 13 -13.298 20.707 -6.475 120 1HE LYS 13 2HE LYS 13 -14.744 18.167 -5.638 121 2HE LYS 13 1HE LYS 13 -14.449 19.556 -4.573 122 1HZ LYS 13 1HZ LYS 13 -15.448 20.921 -6.461 123 2HZ LYS 13 2HZ LYS 13 -16.521 20.003 -5.515 124 3HZ LYS 13 3HZ LYS 13 -16.055 19.452 -7.054 125 H ASP 14 H ASP 14 -10.423 16.836 -8.109 126 HA ASP 14 HA ASP 14 -8.181 18.313 -9.202 127 1HB ASP 14 2HB ASP 14 -6.918 16.687 -7.753 128 2HB ASP 14 1HB ASP 14 -8.237 17.494 -6.903 129 H GLY 15 H GLY 15 -10.002 15.766 -10.437 130 1HA GLY 15 2HA GLY 15 -9.641 14.296 -12.230 131 2HA GLY 15 1HA GLY 15 -8.267 15.315 -12.660 132 H LEU 16 H LEU 16 -8.691 13.559 -9.610 133 HA LEU 16 HA LEU 16 -6.056 12.278 -10.015 134 1HB LEU 16 2HB LEU 16 -6.808 13.417 -7.897 135 2HB LEU 16 1HB LEU 16 -8.017 12.147 -7.702 136 HG LEU 16 HG LEU 16 -5.401 11.003 -8.225 137 1HD1 LEU 16 1HD1 LEU 16 -5.579 12.510 -5.619 138 2HD1 LEU 16 2HD1 LEU 16 -4.861 13.256 -7.047 139 3HD1 LEU 16 3HD1 LEU 16 -4.162 11.781 -6.378 140 1HD2 LEU 16 1HD2 LEU 16 -7.645 10.164 -7.061 141 2HD2 LEU 16 2HD2 LEU 16 -6.854 10.790 -5.614 142 3HD2 LEU 16 3HD2 LEU 16 -6.076 9.526 -6.568 143 2HN ABA 17 HN ABA 17 -5.831 9.916 -9.690 144 HA ABA 17 HA ABA 17 -8.307 8.305 -10.044 145 1HB ABA 17 1HB ABA 17 -6.185 7.512 -11.886 146 2HB ABA 17 2HB ABA 17 -6.709 9.173 -12.169 147 1HG ABA 17 1HG ABA 17 -7.978 7.104 -13.285 148 2HG ABA 17 2HG ABA 17 -8.856 8.537 -12.749 149 3HG ABA 17 3HG ABA 17 -8.817 7.097 -11.734 150 H GLN 18 H GLN 18 -7.007 8.171 -7.711 151 HA GLN 18 HA GLN 18 -4.692 6.538 -7.500 152 1HB GLN 18 2HB GLN 18 -5.102 7.037 -5.327 153 2HB GLN 18 1HB GLN 18 -6.586 7.823 -5.850 154 1HG GLN 18 2HG GLN 18 -7.758 5.618 -5.669 155 2HG GLN 18 1HG GLN 18 -6.277 4.927 -5.014 156 1HE2 GLN 18 1HE2 GLN 18 -8.435 4.814 -3.319 157 2HE2 GLN 18 2HE2 GLN 18 -8.302 5.972 -2.086 158 H THR 19 H THR 19 -4.471 4.254 -7.223 159 HA THR 19 HA THR 19 -6.732 2.446 -7.218 160 HB THR 19 HB THR 19 -5.344 3.197 -9.786 161 HG1 THR 19 HG1 THR 19 -7.252 4.007 -10.003 162 1HG2 THR 19 1HG2 THR 19 -6.797 1.036 -10.537 163 2HG2 THR 19 2HG2 THR 19 -6.257 0.505 -8.944 164 3HG2 THR 19 3HG2 THR 19 -5.074 0.963 -10.170 165 H PHE 20 H PHE 20 -5.999 0.398 -6.578 166 HA PHE 20 HA PHE 20 -3.175 -0.334 -7.093 167 1HB PHE 20 2HB PHE 20 -2.636 -0.550 -4.750 168 2HB PHE 20 1HB PHE 20 -3.310 1.059 -4.989 169 HD1 PHE 20 HD1 PHE 20 -4.994 1.779 -3.552 170 HD2 PHE 20 HD2 PHE 20 -4.424 -2.429 -4.159 171 HE1 PHE 20 HE1 PHE 20 -6.722 1.300 -1.841 172 HE2 PHE 20 HE2 PHE 20 -6.159 -2.911 -2.451 173 HZ PHE 20 HZ PHE 20 -7.306 -1.046 -1.291 174 H VAL 21 H VAL 21 -2.874 -2.564 -7.149 175 HA VAL 21 HA VAL 21 -5.342 -4.207 -7.037 176 HB VAL 21 HB VAL 21 -2.542 -4.930 -7.940 177 1HG1 VAL 21 1HG1 VAL 21 -4.122 -6.804 -7.625 178 2HG1 VAL 21 2HG1 VAL 21 -3.750 -6.569 -9.332 179 3HG1 VAL 21 3HG1 VAL 21 -5.285 -5.998 -8.678 180 1HG2 VAL 21 1HG2 VAL 21 -4.763 -3.429 -9.321 181 2HG2 VAL 21 2HG2 VAL 21 -3.615 -4.390 -10.251 182 3HG2 VAL 21 3HG2 VAL 21 -3.043 -3.044 -9.265 183 H TYR 22 H TYR 22 -5.248 -4.028 -4.564 184 HA TYR 22 HA TYR 22 -3.465 -6.175 -3.474 185 1HB TYR 22 2HB TYR 22 -2.712 -3.969 -2.744 186 2HB TYR 22 1HB TYR 22 -4.351 -3.550 -2.245 187 HD1 TYR 22 HD1 TYR 22 -4.224 -3.316 0.100 188 HD2 TYR 22 HD2 TYR 22 -2.502 -6.763 -1.798 189 HE1 TYR 22 HE1 TYR 22 -3.814 -4.335 2.324 190 HE2 TYR 22 HE2 TYR 22 -2.092 -7.782 0.426 191 HH TYR 22 HH TYR 22 -3.549 -6.904 3.146 192 H GLY 23 H GLY 23 -5.236 -7.707 -3.766 193 1HA GLY 23 2HA GLY 23 -7.753 -7.072 -2.385 194 2HA GLY 23 1HA GLY 23 -7.469 -8.505 -3.351 195 H GLY 24 H GLY 24 -8.595 -9.392 -1.287 196 1HA GLY 24 2HA GLY 24 -7.460 -11.235 0.137 197 2HA GLY 24 1HA GLY 24 -6.594 -9.886 0.873 198 H CYS 25 H CYS 25 -9.810 -11.336 0.473 199 HA CYS 25 HA CYS 25 -11.393 -9.533 1.949 200 1HB CYS 25 2HB CYS 25 -11.531 -12.175 0.920 201 2HB CYS 25 1HB CYS 25 -12.024 -12.276 2.609 202 1HN NH2 26 1H CYS 25 -10.548 -8.666 3.911 203 2HN NH2 26 2H CYS 25 -10.059 -9.614 5.231 204 1HA MPT 1 1HA MPT 1 1.800 -13.857 0.691 205 2HA MPT 1 2HA MPT 1 1.387 -15.350 -0.168 206 1HB MPT 1 1HB MPT 1 2.798 -14.587 -2.053 207 2HB MPT 1 2HB MPT 1 3.737 -14.620 -0.559 208 H LYS 2 H LYS 2 -0.329 -15.294 -1.566 209 HA LYS 2 HA LYS 2 -2.257 -14.421 -2.624 210 1HB LYS 2 2HB LYS 2 -1.628 -12.791 -0.331 211 2HB LYS 2 1HB LYS 2 -2.266 -11.763 -1.614 212 1HG LYS 2 2HG LYS 2 -3.593 -14.337 -0.727 213 2HG LYS 2 1HG LYS 2 -4.029 -12.750 -0.092 214 1HD LYS 2 2HD LYS 2 -4.021 -12.374 -2.851 215 2HD LYS 2 1HD LYS 2 -4.732 -13.976 -2.649 216 1HE LYS 2 2HE LYS 2 -6.400 -13.091 -1.094 217 2HE LYS 2 1HE LYS 2 -5.647 -11.485 -1.164 218 1HZ LYS 2 1HZ LYS 2 -7.445 -11.572 -2.741 219 2HZ LYS 2 2HZ LYS 2 -6.823 -12.989 -3.442 220 3HZ LYS 2 3HZ LYS 2 -5.978 -11.523 -3.590 221 H ALA 3 H ALA 3 -0.910 -14.452 -4.626 222 HA ALA 3 HA ALA 3 0.674 -12.273 -5.540 223 1HB ALA 3 1HB ALA 3 -1.019 -13.931 -7.384 224 2HB ALA 3 2HB ALA 3 0.196 -14.735 -6.390 225 3HB ALA 3 3HB ALA 3 0.681 -13.485 -7.535 226 H ARG 4 H ARG 4 -0.624 -10.369 -4.878 227 HA ARG 4 HA ARG 4 -2.097 -9.174 -7.004 228 1HB ARG 4 2HB ARG 4 -3.505 -11.130 -5.488 229 2HB ARG 4 1HB ARG 4 -4.181 -9.558 -5.060 230 1HG ARG 4 2HG ARG 4 -3.934 -9.309 -7.775 231 2HG ARG 4 1HG ARG 4 -4.311 -11.026 -7.617 232 1HD ARG 4 2HD ARG 4 -6.368 -10.580 -6.491 233 2HD ARG 4 1HD ARG 4 -5.922 -8.888 -6.195 234 HE ARG 4 HE ARG 4 -6.759 -8.437 -8.349 235 1HH1 ARG 4 1HH2 ARG 4 -6.902 -11.746 -8.055 236 2HH1 ARG 4 2HH2 ARG 4 -6.652 -12.098 -9.732 237 1HH2 ARG 4 1HH1 ARG 4 -5.837 -8.833 -10.568 238 2HH2 ARG 4 2HH1 ARG 4 -6.048 -10.449 -11.155 239 H ILE 5 H ILE 5 -0.372 -7.738 -5.901 240 HA ILE 5 HA ILE 5 -1.739 -5.909 -3.999 241 HB ILE 5 HB ILE 5 -0.535 -7.596 -2.649 242 1HG1 ILE 5 2HG1 ILE 5 0.659 -4.812 -2.751 243 2HG1 ILE 5 1HG1 ILE 5 -0.611 -5.399 -1.679 244 1HG2 ILE 5 1HG2 ILE 5 1.687 -8.160 -2.995 245 2HG2 ILE 5 2HG2 ILE 5 2.078 -6.599 -3.719 246 3HG2 ILE 5 3HG2 ILE 5 1.201 -7.811 -4.654 247 1HD1 ILE 5 1HD1 ILE 5 1.145 -7.101 -0.842 248 2HD1 ILE 5 2HD1 ILE 5 1.335 -5.424 -0.331 249 3HD1 ILE 5 3HD1 ILE 5 2.332 -6.066 -1.636 250 H ILE 6 H ILE 6 -1.524 -4.896 -6.359 251 HA ILE 6 HA ILE 6 1.187 -3.736 -6.797 252 HB ILE 6 HB ILE 6 -1.347 -3.592 -8.460 253 1HG1 ILE 6 2HG1 ILE 6 0.957 -5.393 -9.109 254 2HG1 ILE 6 1HG1 ILE 6 -0.186 -5.916 -7.870 255 1HG2 ILE 6 1HG2 ILE 6 0.449 -3.258 -10.280 256 2HG2 ILE 6 2HG2 ILE 6 1.559 -2.932 -8.949 257 3HG2 ILE 6 3HG2 ILE 6 0.148 -1.903 -9.194 258 1HD1 ILE 6 1HD1 ILE 6 -0.517 -6.188 -10.628 259 2HD1 ILE 6 2HD1 ILE 6 -1.548 -4.821 -10.205 260 3HD1 ILE 6 3HD1 ILE 6 -1.774 -6.378 -9.406 261 H ARG 7 H ARG 7 1.219 -1.356 -7.394 262 HA ARG 7 HA ARG 7 -0.824 0.193 -5.830 263 1HB ARG 7 2HB ARG 7 2.186 0.515 -6.054 264 2HB ARG 7 1HB ARG 7 1.129 1.676 -5.250 265 1HG ARG 7 2HG ARG 7 0.316 -0.646 -4.073 266 2HG ARG 7 1HG ARG 7 2.024 -0.994 -4.348 267 1HD ARG 7 2HD ARG 7 2.343 0.149 -2.390 268 2HD ARG 7 1HD ARG 7 2.109 1.598 -3.389 269 HE ARG 7 HE ARG 7 -0.146 1.748 -2.594 270 1HH1 ARG 7 1HH1 ARG 7 1.597 0.281 -0.315 271 2HH1 ARG 7 2HH1 ARG 7 0.358 -0.757 0.307 272 1HH2 ARG 7 1HH2 ARG 7 -1.814 -0.191 -2.335 273 2HH2 ARG 7 2HH2 ARG 7 -1.573 -1.024 -0.836 274 H TYR 8 H TYR 8 -2.013 1.040 -7.560 275 HA TYR 8 HA TYR 8 -0.495 2.411 -9.753 276 1HB TYR 8 2HB TYR 8 -3.109 0.964 -9.490 277 2HB TYR 8 1HB TYR 8 -2.977 2.226 -10.711 278 HD1 TYR 8 HD1 TYR 8 -3.375 0.292 -12.340 279 HD2 TYR 8 HD2 TYR 8 0.148 0.619 -9.907 280 HE1 TYR 8 HE1 TYR 8 -2.192 -1.286 -13.841 281 HE2 TYR 8 HE2 TYR 8 1.332 -0.957 -11.407 282 HH TYR 8 HH TYR 8 0.833 -2.691 -13.011 283 H PHE 9 H PHE 9 -0.248 4.332 -8.256 284 HA PHE 9 HA PHE 9 -2.809 5.802 -7.784 285 1HB PHE 9 2HB PHE 9 -1.223 5.343 -5.902 286 2HB PHE 9 1HB PHE 9 0.001 6.290 -6.745 287 HD1 PHE 9 HD1 PHE 9 -3.181 7.647 -7.479 288 HD2 PHE 9 HD2 PHE 9 -0.211 7.497 -4.377 289 HE1 PHE 9 HE1 PHE 9 -4.104 9.726 -6.493 290 HE2 PHE 9 HE2 PHE 9 -1.136 9.576 -3.394 291 HZ PHE 9 HZ PHE 9 -3.081 10.692 -4.452 292 H TYR 10 H TYR 10 -3.296 7.176 -9.448 293 HA TYR 10 HA TYR 10 -1.039 8.645 -10.776 294 1HB TYR 10 2HB TYR 10 -2.037 7.189 -12.357 295 2HB TYR 10 1HB TYR 10 -3.659 7.491 -11.736 296 HD1 TYR 10 HD1 TYR 10 -4.876 9.531 -12.308 297 HD2 TYR 10 HD2 TYR 10 -0.920 8.807 -13.817 298 HE1 TYR 10 HE1 TYR 10 -5.173 11.356 -13.961 299 HE2 TYR 10 HE2 TYR 10 -1.217 10.633 -15.470 300 HH TYR 10 HH TYR 10 -4.281 12.449 -15.669 301 H ASN 11 H ASN 11 -1.568 10.875 -11.427 302 HA ASN 11 HA ASN 11 -4.007 12.198 -10.651 303 1HB ASN 11 2HB ASN 11 -3.239 13.267 -8.611 304 2HB ASN 11 1HB ASN 11 -3.001 11.528 -8.434 305 1HD2 ASN 11 1HD2 ASN 11 -0.689 10.780 -9.230 306 2HD2 ASN 11 2HD2 ASN 11 0.604 11.788 -8.788 307 H ALA 12 H ALA 12 -4.022 14.273 -11.542 308 HA ALA 12 HA ALA 12 -1.643 15.070 -13.103 309 1HB ALA 12 1HB ALA 12 -4.389 16.334 -12.837 310 2HB ALA 12 2HB ALA 12 -4.004 15.038 -13.970 311 3HB ALA 12 3HB ALA 12 -3.225 16.612 -14.131 312 H LYS 13 H LYS 13 -2.170 17.899 -13.034 313 HA LYS 13 HA LYS 13 -1.327 19.764 -11.838 314 1HB LYS 13 2HB LYS 13 -2.909 18.305 -9.696 315 2HB LYS 13 1HB LYS 13 -2.522 20.026 -9.700 316 1HG LYS 13 2HG LYS 13 -3.741 20.215 -11.899 317 2HG LYS 13 1HG LYS 13 -4.266 18.543 -11.685 318 1HD LYS 13 2HD LYS 13 -5.106 19.349 -9.355 319 2HD LYS 13 1HD LYS 13 -4.986 20.967 -10.048 320 1HE LYS 13 2HE LYS 13 -6.370 20.031 -12.024 321 2HE LYS 13 1HE LYS 13 -6.749 18.678 -10.938 322 1HZ LYS 13 1HZ LYS 13 -7.021 21.520 -10.136 323 2HZ LYS 13 2HZ LYS 13 -7.606 20.149 -9.321 324 3HZ LYS 13 3HZ LYS 13 -8.306 20.628 -10.793 325 H ASP 14 H ASP 14 0.239 17.124 -11.716 326 HA ASP 14 HA ASP 14 2.101 16.254 -10.537 327 1HB ASP 14 2HB ASP 14 2.199 19.210 -9.847 328 2HB ASP 14 1HB ASP 14 3.557 18.093 -9.704 329 H GLY 15 H GLY 15 -0.097 15.605 -9.104 330 1HA GLY 15 2HA GLY 15 0.023 16.717 -6.392 331 2HA GLY 15 1HA GLY 15 -1.034 15.412 -6.931 332 H CLH 16 H CLH 16 -0.373 13.292 -6.626 333 HA CLH 16 HA CLH 16 2.394 12.869 -5.550 334 1HB CLH 16 1HB CLH 16 0.270 11.168 -4.441 335 2HB CLH 16 2HB CLH 16 0.037 12.883 -4.099 336 1HG CLH 16 1HG CLH 16 2.303 13.025 -3.170 337 2HG CLH 16 2HG CLH 16 2.593 11.332 -3.574 338 1HD CLH 16 1HD CLH 16 0.198 12.002 -1.905 339 2HD CLH 16 2HD CLH 16 1.787 12.046 -1.138 340 1HE CLH 16 1HE CLH 16 2.083 9.759 -1.336 341 2HE CLH 16 2HE CLH 16 1.147 9.667 -2.841 342 HNZ CLH 16 HNZ CLH 16 -0.595 10.500 -0.738 343 1HI CLH 16 1HI CLH 16 -1.438 8.614 1.013 344 2HI CLH 16 2HI CLH 16 -2.418 8.788 -0.444 345 HNJ CLH 16 HNJ CLH 16 -1.277 6.185 -0.468 346 HL CLH 16 HL CLH 16 -2.099 4.425 0.333 347 2HN ABA 17 HN ABA 17 3.045 11.930 -7.580 348 HA ABA 17 HA ABA 17 1.515 9.784 -8.833 349 1HB ABA 17 1HB ABA 17 4.436 10.300 -9.293 350 2HB ABA 17 2HB ABA 17 3.275 11.553 -9.732 351 1HG ABA 17 1HG ABA 17 2.006 9.566 -10.899 352 2HG ABA 17 2HG ABA 17 3.582 8.777 -10.843 353 3HG ABA 17 3HG ABA 17 3.391 10.304 -11.704 354 H GLN 18 H GLN 18 2.060 7.539 -8.803 355 HA GLN 18 HA GLN 18 4.344 6.462 -7.402 356 1HB GLN 18 2HB GLN 18 2.016 7.308 -5.890 357 2HB GLN 18 1HB GLN 18 2.289 5.576 -5.692 358 1HG GLN 18 2HG GLN 18 4.801 6.307 -5.375 359 2HG GLN 18 1HG GLN 18 4.086 7.869 -4.972 360 1HE2 GLN 18 1HE2 GLN 18 5.121 7.182 -2.754 361 2HE2 GLN 18 2HE2 GLN 18 4.125 6.289 -1.709 362 H THR 19 H THR 19 4.552 4.769 -8.842 363 HA THR 19 HA THR 19 2.202 2.931 -9.148 364 HB THR 19 HB THR 19 4.193 3.804 -11.269 365 HG1 THR 19 HG1 THR 19 2.784 5.275 -11.786 366 1HG2 THR 19 1HG2 THR 19 1.890 1.876 -11.209 367 2HG2 THR 19 2HG2 THR 19 3.490 1.673 -11.922 368 3HG2 THR 19 3HG2 THR 19 2.299 2.710 -12.708 369 H PHE 20 H PHE 20 2.835 1.024 -8.199 370 HA PHE 20 HA PHE 20 5.688 0.157 -8.547 371 1HB PHE 20 2HB PHE 20 3.722 -0.543 -6.345 372 2HB PHE 20 1HB PHE 20 5.456 -0.872 -6.361 373 HD1 PHE 20 HD1 PHE 20 3.467 0.954 -4.524 374 HD2 PHE 20 HD2 PHE 20 6.490 1.684 -7.487 375 HE1 PHE 20 HE1 PHE 20 3.900 3.185 -3.533 376 HE2 PHE 20 HE2 PHE 20 6.923 3.916 -6.496 377 HZ PHE 20 HZ PHE 20 5.628 4.667 -4.520 378 H VAL 21 H VAL 21 5.738 -2.399 -8.160 379 HA VAL 21 HA VAL 21 3.387 -3.746 -9.383 380 HB VAL 21 HB VAL 21 4.850 -4.703 -11.146 381 1HG1 VAL 21 1HG1 VAL 21 5.104 -1.686 -11.097 382 2HG1 VAL 21 2HG1 VAL 21 3.591 -2.521 -11.453 383 3HG1 VAL 21 3HG1 VAL 21 4.985 -2.732 -12.512 384 1HG2 VAL 21 1HG2 VAL 21 7.076 -4.674 -10.791 385 2HG2 VAL 21 2HG2 VAL 21 6.889 -3.554 -9.442 386 3HG2 VAL 21 3HG2 VAL 21 7.049 -2.935 -11.086 387 H TYR 22 H TYR 22 3.138 -5.094 -7.558 388 HA TYR 22 HA TYR 22 5.524 -6.663 -6.665 389 1HB TYR 22 2HB TYR 22 2.839 -5.956 -5.463 390 2HB TYR 22 1HB TYR 22 3.895 -7.168 -4.738 391 HD1 TYR 22 HD1 TYR 22 6.281 -6.497 -4.125 392 HD2 TYR 22 HD2 TYR 22 3.228 -3.645 -5.124 393 HE1 TYR 22 HE1 TYR 22 7.603 -4.701 -3.041 394 HE2 TYR 22 HE2 TYR 22 4.551 -1.850 -4.040 395 HH TYR 22 HH TYR 22 7.216 -1.570 -3.553 396 H GLY 23 H GLY 23 2.560 -6.915 -8.419 397 1HA GLY 23 2HA GLY 23 1.619 -9.481 -7.978 398 2HA GLY 23 1HA GLY 23 1.697 -8.774 -9.592 399 H GLY 24 H GLY 24 3.027 -11.139 -7.494 400 1HA GLY 24 2HA GLY 24 4.177 -12.878 -9.137 401 2HA GLY 24 1HA GLY 24 5.367 -11.584 -9.268 402 H CYS 25 H CYS 25 3.560 -13.047 -6.533 403 HA CYS 25 HA CYS 25 6.016 -12.927 -4.882 404 1HB CYS 25 2HB CYS 25 3.226 -12.743 -4.496 405 2HB CYS 25 1HB CYS 25 3.713 -14.244 -3.706 406 1HN NH2 26 1H CYS 25 4.318 -15.244 -6.855 407 2HN NH2 26 2H CYS 25 5.145 -16.629 -6.322 Start of MODEL 17 1 1HA MPT 1 1HA MPT 1 -5.364 -19.347 -5.139 2 2HA MPT 1 2HA MPT 1 -3.667 -19.063 -4.728 3 1HB MPT 1 1HB MPT 1 -5.714 -18.700 -2.999 4 2HB MPT 1 2HB MPT 1 -5.701 -17.103 -3.748 5 H LYS 2 H LYS 2 -6.448 -16.991 -5.679 6 HA LYS 2 HA LYS 2 -4.756 -15.102 -7.073 7 1HB LYS 2 2HB LYS 2 -5.271 -15.799 -9.348 8 2HB LYS 2 1HB LYS 2 -4.597 -17.182 -8.485 9 1HG LYS 2 2HG LYS 2 -7.206 -17.546 -7.908 10 2HG LYS 2 1HG LYS 2 -7.371 -16.728 -9.463 11 1HD LYS 2 2HD LYS 2 -7.217 -18.998 -10.067 12 2HD LYS 2 1HD LYS 2 -5.569 -18.409 -10.290 13 1HE LYS 2 2HE LYS 2 -5.877 -19.227 -7.550 14 2HE LYS 2 1HE LYS 2 -6.415 -20.544 -8.611 15 1HZ LYS 2 1HZ LYS 2 -3.849 -19.056 -8.772 16 2HZ LYS 2 2HZ LYS 2 -4.390 -20.146 -9.958 17 3HZ LYS 2 3HZ LYS 2 -4.051 -20.695 -8.387 18 H ALA 3 H ALA 3 -6.502 -14.190 -5.429 19 HA ALA 3 HA ALA 3 -9.101 -13.746 -6.853 20 1HB ALA 3 1HB ALA 3 -10.040 -13.502 -4.699 21 2HB ALA 3 2HB ALA 3 -8.481 -13.118 -3.967 22 3HB ALA 3 3HB ALA 3 -8.836 -14.772 -4.471 23 H CLG 4 H CLG 4 -7.077 -12.230 -7.910 24 HA CLG 4 HA CLG 4 -6.335 -9.802 -6.721 25 1HB CLG 4 1HB CLG 4 -5.698 -10.805 -8.970 26 2HB CLG 4 2HB CLG 4 -5.994 -9.067 -8.990 27 1HG CLG 4 1HG CLG 4 -8.272 -9.446 -9.820 28 2HG CLG 4 2HG CLG 4 -8.029 -11.192 -9.738 29 1HD CLG 4 1HD CLG 4 -7.694 -10.385 -12.039 30 2HD CLG 4 2HD CLG 4 -6.176 -10.993 -11.375 31 1HE CLG 4 1HE CLG 4 -5.231 -8.974 -11.802 32 2HE CLG 4 2HE CLG 4 -6.380 -8.222 -10.676 33 HNZ CLG 4 HNZ CLG 4 -7.910 -8.610 -12.925 34 1HI CLG 4 1HI CLG 4 -6.935 -7.223 -15.511 35 2HI CLG 4 2HI CLG 4 -8.333 -7.025 -14.455 36 HNJ CLG 4 HNJ CLG 4 -7.858 -4.716 -14.361 37 1HL CLG 4 1HL CLG 4 -6.701 -2.856 -15.790 38 2HL CLG 4 2HL CLG 4 -6.030 -2.863 -14.160 39 H ILE 5 H ILE 5 -7.282 -7.581 -7.383 40 HA ILE 5 HA ILE 5 -10.227 -7.562 -7.725 41 HB ILE 5 HB ILE 5 -10.620 -6.486 -5.615 42 1HG1 ILE 5 2HG1 ILE 5 -8.579 -5.041 -5.717 43 2HG1 ILE 5 1HG1 ILE 5 -8.819 -5.774 -4.131 44 1HG2 ILE 5 1HG2 ILE 5 -9.852 -8.154 -4.024 45 2HG2 ILE 5 2HG2 ILE 5 -8.550 -8.643 -5.109 46 3HG2 ILE 5 3HG2 ILE 5 -10.229 -8.962 -5.546 47 1HD1 ILE 5 1HD1 ILE 5 -6.681 -6.246 -6.124 48 2HD1 ILE 5 2HD1 ILE 5 -7.313 -7.694 -5.340 49 3HD1 ILE 5 3HD1 ILE 5 -6.634 -6.389 -4.366 50 H ILE 6 H ILE 6 -11.015 -5.256 -7.943 51 HA ILE 6 HA ILE 6 -8.846 -3.454 -8.976 52 HB ILE 6 HB ILE 6 -11.691 -3.786 -9.979 53 1HG1 ILE 6 2HG1 ILE 6 -10.201 -4.772 -11.975 54 2HG1 ILE 6 1HG1 ILE 6 -9.132 -5.183 -10.632 55 1HG2 ILE 6 1HG2 ILE 6 -9.421 -2.623 -11.553 56 2HG2 ILE 6 2HG2 ILE 6 -10.193 -1.622 -10.323 57 3HG2 ILE 6 3HG2 ILE 6 -11.147 -2.274 -11.655 58 1HD1 ILE 6 1HD1 ILE 6 -10.616 -6.687 -9.728 59 2HD1 ILE 6 2HD1 ILE 6 -11.126 -6.804 -11.413 60 3HD1 ILE 6 3HD1 ILE 6 -12.028 -5.790 -10.286 61 H ARG 7 H ARG 7 -9.029 -2.665 -6.616 62 HA ARG 7 HA ARG 7 -11.472 -1.064 -6.066 63 1HB ARG 7 2HB ARG 7 -10.045 -2.668 -4.499 64 2HB ARG 7 1HB ARG 7 -9.070 -1.214 -4.279 65 1HG ARG 7 2HG ARG 7 -11.805 -0.438 -4.098 66 2HG ARG 7 1HG ARG 7 -11.589 -1.857 -3.074 67 1HD ARG 7 2HD ARG 7 -9.367 -0.516 -2.362 68 2HD ARG 7 1HD ARG 7 -10.396 0.863 -2.804 69 HE ARG 7 HE ARG 7 -12.074 -0.766 -1.313 70 1HH1 ARG 7 1HH2 ARG 7 -10.383 1.903 -0.686 71 2HH1 ARG 7 2HH2 ARG 7 -9.932 1.528 0.944 72 1HH2 ARG 7 1HH1 ARG 7 -10.891 -1.797 0.726 73 2HH2 ARG 7 2HH1 ARG 7 -10.219 -0.566 1.742 74 H TYR 8 H TYR 8 -11.325 0.832 -7.294 75 HA TYR 8 HA TYR 8 -9.132 2.693 -6.566 76 1HB TYR 8 2HB TYR 8 -8.371 2.954 -8.793 77 2HB TYR 8 1HB TYR 8 -8.607 1.215 -8.639 78 HD1 TYR 8 HD1 TYR 8 -10.760 0.182 -9.501 79 HD2 TYR 8 HD2 TYR 8 -9.627 4.239 -10.343 80 HE1 TYR 8 HE1 TYR 8 -12.376 0.245 -11.381 81 HE2 TYR 8 HE2 TYR 8 -11.243 4.302 -12.222 82 HH TYR 8 HH TYR 8 -12.375 2.710 -13.725 83 H PHE 9 H PHE 9 -9.687 4.942 -7.180 84 HA PHE 9 HA PHE 9 -12.502 5.380 -8.056 85 1HB PHE 9 2HB PHE 9 -11.342 6.632 -5.555 86 2HB PHE 9 1HB PHE 9 -13.029 6.610 -6.070 87 HD1 PHE 9 HD1 PHE 9 -14.084 4.217 -6.411 88 HD2 PHE 9 HD2 PHE 9 -10.600 5.025 -4.031 89 HE1 PHE 9 HE1 PHE 9 -14.433 2.094 -5.177 90 HE2 PHE 9 HE2 PHE 9 -10.949 2.902 -2.798 91 HZ PHE 9 HZ PHE 9 -12.866 1.436 -3.371 92 H TYR 10 H TYR 10 -11.637 6.424 -9.955 93 HA TYR 10 HA TYR 10 -9.578 8.263 -10.214 94 1HB TYR 10 2HB TYR 10 -11.329 7.343 -11.891 95 2HB TYR 10 1HB TYR 10 -12.317 8.721 -11.405 96 HD1 TYR 10 HD1 TYR 10 -11.565 11.033 -11.838 97 HD2 TYR 10 HD2 TYR 10 -9.307 7.640 -13.193 98 HE1 TYR 10 HE1 TYR 10 -10.268 12.503 -13.357 99 HE2 TYR 10 HE2 TYR 10 -8.010 9.109 -14.713 100 HH TYR 10 HH TYR 10 -7.412 11.454 -14.931 101 H ASN 11 H ASN 11 -9.217 10.378 -9.502 102 HA ASN 11 HA ASN 11 -11.526 11.860 -8.327 103 1HB ASN 11 2HB ASN 11 -9.413 10.496 -6.934 104 2HB ASN 11 1HB ASN 11 -9.270 12.231 -6.642 105 1HD2 ASN 11 1HD2 ASN 11 -12.345 10.535 -7.290 106 2HD2 ASN 11 2HD2 ASN 11 -13.018 10.826 -5.759 107 H ALA 12 H ALA 12 -11.064 13.061 -10.450 108 HA ALA 12 HA ALA 12 -8.634 14.537 -10.852 109 1HB ALA 12 1HB ALA 12 -9.817 15.028 -12.726 110 2HB ALA 12 2HB ALA 12 -10.985 15.940 -11.769 111 3HB ALA 12 3HB ALA 12 -11.212 14.209 -12.024 112 H LYS 13 H LYS 13 -9.693 17.225 -10.973 113 HA LYS 13 HA LYS 13 -9.751 19.156 -9.625 114 1HB LYS 13 2HB LYS 13 -11.686 17.191 -8.372 115 2HB LYS 13 1HB LYS 13 -11.554 18.859 -7.813 116 1HG LYS 13 2HG LYS 13 -12.311 17.913 -10.589 117 2HG LYS 13 1HG LYS 13 -13.327 18.792 -9.447 118 1HD LYS 13 2HD LYS 13 -11.227 20.497 -9.603 119 2HD LYS 13 1HD LYS 13 -11.173 19.798 -11.222 120 1HE LYS 13 2HE LYS 13 -12.844 21.218 -11.799 121 2HE LYS 13 1HE LYS 13 -13.908 20.316 -10.700 122 1HZ LYS 13 1HZ LYS 13 -13.409 21.708 -8.932 123 2HZ LYS 13 2HZ LYS 13 -13.514 22.798 -10.232 124 3HZ LYS 13 3HZ LYS 13 -11.995 22.304 -9.653 125 H ASP 14 H ASP 14 -10.023 16.490 -7.332 126 HA ASP 14 HA ASP 14 -8.442 17.597 -5.241 127 1HB ASP 14 2HB ASP 14 -8.630 14.673 -6.044 128 2HB ASP 14 1HB ASP 14 -8.439 15.326 -4.416 129 H GLY 15 H GLY 15 -7.663 16.235 -8.336 130 1HA GLY 15 2HA GLY 15 -5.550 16.627 -9.407 131 2HA GLY 15 1HA GLY 15 -4.807 16.817 -7.824 132 H LEU 16 H LEU 16 -6.592 14.036 -7.468 133 HA LEU 16 HA LEU 16 -4.555 12.353 -8.836 134 1HB LEU 16 2HB LEU 16 -4.244 11.108 -6.618 135 2HB LEU 16 1HB LEU 16 -3.491 12.689 -6.760 136 HG LEU 16 HG LEU 16 -4.730 12.198 -4.581 137 1HD1 LEU 16 1HD1 LEU 16 -4.398 14.526 -6.077 138 2HD1 LEU 16 2HD1 LEU 16 -4.758 14.421 -4.353 139 3HD1 LEU 16 3HD1 LEU 16 -6.071 14.589 -5.519 140 1HD2 LEU 16 1HD2 LEU 16 -6.728 11.198 -5.872 141 2HD2 LEU 16 2HD2 LEU 16 -7.198 12.867 -6.186 142 3HD2 LEU 16 3HD2 LEU 16 -7.094 12.279 -4.529 143 2HN ABA 17 HN ABA 17 -5.046 10.080 -8.856 144 HA ABA 17 HA ABA 17 -7.956 9.449 -8.485 145 1HB ABA 17 1HB ABA 17 -5.990 9.011 -10.726 146 2HB ABA 17 2HB ABA 17 -7.663 9.559 -10.814 147 1HG ABA 17 1HG ABA 17 -8.040 7.082 -9.776 148 2HG ABA 17 2HG ABA 17 -6.573 6.796 -10.714 149 3HG ABA 17 3HG ABA 17 -8.025 7.406 -11.510 150 H GLN 18 H GLN 18 -7.210 8.631 -6.349 151 HA GLN 18 HA GLN 18 -5.178 6.794 -5.821 152 1HB GLN 18 2HB GLN 18 -7.765 6.056 -4.582 153 2HB GLN 18 1HB GLN 18 -6.235 6.455 -3.818 154 1HG GLN 18 2HG GLN 18 -8.298 8.400 -4.884 155 2HG GLN 18 1HG GLN 18 -7.859 8.131 -3.202 156 1HE2 GLN 18 1HE2 GLN 18 -7.263 10.427 -3.014 157 2HE2 GLN 18 2HE2 GLN 18 -5.803 10.992 -3.668 158 H THR 19 H THR 19 -4.724 4.780 -6.634 159 HA THR 19 HA THR 19 -6.993 3.072 -7.538 160 HB THR 19 HB THR 19 -4.591 3.928 -9.178 161 HG1 THR 19 HG1 THR 19 -6.067 4.998 -10.362 162 1HG2 THR 19 1HG2 THR 19 -6.825 2.014 -9.905 163 2HG2 THR 19 2HG2 THR 19 -5.184 1.524 -9.484 164 3HG2 THR 19 3HG2 THR 19 -5.473 2.487 -10.933 165 H PHE 20 H PHE 20 -6.695 1.203 -6.437 166 HA PHE 20 HA PHE 20 -3.910 0.109 -6.169 167 1HB PHE 20 2HB PHE 20 -4.682 0.785 -4.005 168 2HB PHE 20 1HB PHE 20 -6.306 0.173 -4.316 169 HD1 PHE 20 HD1 PHE 20 -6.299 -1.222 -2.292 170 HD2 PHE 20 HD2 PHE 20 -3.351 -1.725 -5.373 171 HE1 PHE 20 HE1 PHE 20 -5.665 -3.419 -1.327 172 HE2 PHE 20 HE2 PHE 20 -2.716 -3.921 -4.410 173 HZ PHE 20 HZ PHE 20 -3.875 -4.768 -2.386 174 H VAL 21 H VAL 21 -3.717 -1.843 -7.294 175 HA VAL 21 HA VAL 21 -6.095 -3.623 -7.429 176 HB VAL 21 HB VAL 21 -6.521 -2.393 -9.368 177 1HG1 VAL 21 1HG1 VAL 21 -3.554 -2.324 -9.982 178 2HG1 VAL 21 2HG1 VAL 21 -4.422 -1.027 -9.161 179 3HG1 VAL 21 3HG1 VAL 21 -4.832 -1.449 -10.822 180 1HG2 VAL 21 1HG2 VAL 21 -6.111 -3.834 -11.183 181 2HG2 VAL 21 2HG2 VAL 21 -5.984 -4.906 -9.789 182 3HG2 VAL 21 3HG2 VAL 21 -4.525 -4.301 -10.572 183 H TYR 22 H TYR 22 -5.046 -5.319 -6.403 184 HA TYR 22 HA TYR 22 -3.526 -7.190 -7.793 185 1HB TYR 22 2HB TYR 22 -2.008 -4.840 -7.148 186 2HB TYR 22 1HB TYR 22 -1.367 -6.191 -6.223 187 HD1 TYR 22 HD1 TYR 22 0.665 -6.656 -7.405 188 HD2 TYR 22 HD2 TYR 22 -3.059 -6.372 -9.518 189 HE1 TYR 22 HE1 TYR 22 1.755 -7.545 -9.443 190 HE2 TYR 22 HE2 TYR 22 -1.971 -7.258 -11.561 191 HH TYR 22 HH TYR 22 1.051 -7.231 -12.189 192 H GLY 23 H GLY 23 -4.395 -8.795 -6.501 193 1HA GLY 23 2HA GLY 23 -4.136 -8.517 -3.545 194 2HA GLY 23 1HA GLY 23 -5.249 -9.614 -4.362 195 H GLY 24 H GLY 24 -2.319 -9.473 -2.746 196 1HA GLY 24 2HA GLY 24 -1.161 -11.795 -4.194 197 2HA GLY 24 1HA GLY 24 -0.339 -10.848 -2.952 198 H CYS 25 H CYS 25 -3.632 -11.944 -2.508 199 HA CYS 25 HA CYS 25 -4.554 -13.437 -0.925 200 1HB CYS 25 2HB CYS 25 -2.588 -14.716 -2.438 201 2HB CYS 25 1HB CYS 25 -2.181 -15.141 -0.777 202 1HN NH2 26 1H CYS 25 -4.566 -12.221 1.052 203 2HN NH2 26 2H CYS 25 -3.289 -12.247 2.170 204 1HA MPT 1 1HA MPT 1 5.295 -17.694 -5.558 205 2HA MPT 1 2HA MPT 1 6.742 -17.140 -6.414 206 1HB MPT 1 1HB MPT 1 6.295 -16.776 -3.758 207 2HB MPT 1 2HB MPT 1 5.553 -15.304 -4.383 208 H LYS 2 H LYS 2 3.375 -16.268 -5.650 209 HA LYS 2 HA LYS 2 3.394 -14.524 -8.095 210 1HB LYS 2 2HB LYS 2 1.539 -16.612 -7.004 211 2HB LYS 2 1HB LYS 2 0.849 -15.290 -7.947 212 1HG LYS 2 2HG LYS 2 1.752 -16.041 -9.895 213 2HG LYS 2 1HG LYS 2 3.273 -16.494 -9.124 214 1HD LYS 2 2HD LYS 2 1.646 -18.344 -8.015 215 2HD LYS 2 1HD LYS 2 0.814 -18.107 -9.553 216 1HE LYS 2 2HE LYS 2 2.847 -18.622 -10.797 217 2HE LYS 2 1HE LYS 2 3.781 -18.719 -9.290 218 1HZ LYS 2 1HZ LYS 2 1.606 -20.492 -10.220 219 2HZ LYS 2 2HZ LYS 2 2.010 -20.388 -8.574 220 3HZ LYS 2 3HZ LYS 2 3.164 -20.916 -9.704 221 H ALA 3 H ALA 3 4.062 -13.214 -5.807 222 HA ALA 3 HA ALA 3 1.797 -12.282 -4.248 223 1HB ALA 3 1HB ALA 3 3.704 -10.444 -3.825 224 2HB ALA 3 2HB ALA 3 4.699 -11.667 -4.615 225 3HB ALA 3 3HB ALA 3 3.819 -12.064 -3.140 226 H ARG 4 H ARG 4 0.578 -10.385 -4.550 227 HA ARG 4 HA ARG 4 1.294 -8.577 -6.805 228 1HB ARG 4 2HB ARG 4 -1.203 -10.261 -6.516 229 2HB ARG 4 1HB ARG 4 -1.139 -8.850 -7.573 230 1HG ARG 4 2HG ARG 4 1.170 -10.201 -8.250 231 2HG ARG 4 1HG ARG 4 0.034 -11.515 -7.947 232 1HD ARG 4 2HD ARG 4 -1.381 -9.521 -9.413 233 2HD ARG 4 1HD ARG 4 0.163 -9.801 -10.243 234 HE ARG 4 HE ARG 4 -0.978 -12.307 -9.399 235 1HH1 ARG 4 1HH1 ARG 4 -0.427 -10.186 -11.982 236 2HH1 ARG 4 2HH1 ARG 4 -1.489 -10.997 -13.085 237 1HH2 ARG 4 1HH2 ARG 4 -2.726 -13.188 -10.700 238 2HH2 ARG 4 2HH2 ARG 4 -2.791 -12.695 -12.359 239 H ILE 5 H ILE 5 1.334 -6.646 -5.707 240 HA ILE 5 HA ILE 5 -1.135 -5.773 -4.320 241 HB ILE 5 HB ILE 5 0.757 -4.895 -2.544 242 1HG1 ILE 5 2HG1 ILE 5 2.277 -6.753 -2.048 243 2HG1 ILE 5 1HG1 ILE 5 1.615 -7.683 -3.392 244 1HG2 ILE 5 1HG2 ILE 5 -1.465 -6.372 -2.407 245 2HG2 ILE 5 2HG2 ILE 5 -0.342 -6.259 -1.052 246 3HG2 ILE 5 3HG2 ILE 5 -0.289 -7.657 -2.126 247 1HD1 ILE 5 1HD1 ILE 5 2.294 -5.462 -4.739 248 2HD1 ILE 5 2HD1 ILE 5 3.433 -6.776 -4.470 249 3HD1 ILE 5 3HD1 ILE 5 3.466 -5.350 -3.432 250 H ILE 6 H ILE 6 0.129 -4.998 -6.796 251 HA ILE 6 HA ILE 6 1.664 -2.579 -6.514 252 HB ILE 6 HB ILE 6 -0.041 -3.743 -8.735 253 1HG1 ILE 6 2HG1 ILE 6 2.972 -3.690 -8.447 254 2HG1 ILE 6 1HG1 ILE 6 1.989 -5.022 -7.838 255 1HG2 ILE 6 1HG2 ILE 6 2.134 -1.660 -9.008 256 2HG2 ILE 6 2HG2 ILE 6 0.431 -1.227 -8.856 257 3HG2 ILE 6 3HG2 ILE 6 0.978 -2.188 -10.230 258 1HD1 ILE 6 1HD1 ILE 6 2.389 -4.130 -10.687 259 2HD1 ILE 6 2HD1 ILE 6 0.969 -5.069 -10.228 260 3HD1 ILE 6 3HD1 ILE 6 2.584 -5.741 -9.999 261 H ARG 7 H ARG 7 0.988 -0.452 -6.459 262 HA ARG 7 HA ARG 7 -1.946 0.117 -6.580 263 1HB ARG 7 2HB ARG 7 -0.498 -0.138 -4.258 264 2HB ARG 7 1HB ARG 7 -0.365 1.593 -4.571 265 1HG ARG 7 2HG ARG 7 -2.952 1.412 -5.024 266 2HG ARG 7 1HG ARG 7 -2.819 -0.051 -4.049 267 1HD ARG 7 2HD ARG 7 -1.334 2.030 -2.742 268 2HD ARG 7 1HD ARG 7 -2.960 2.636 -3.114 269 HE ARG 7 HE ARG 7 -3.897 0.735 -1.893 270 1HH1 ARG 7 1HH1 ARG 7 -2.057 1.888 0.145 271 2HH1 ARG 7 2HH1 ARG 7 -1.155 0.502 0.660 272 1HH2 ARG 7 1HH2 ARG 7 -2.051 -1.430 -2.077 273 2HH2 ARG 7 2HH2 ARG 7 -1.151 -1.377 -0.597 274 H TYR 8 H TYR 8 -2.417 2.139 -7.482 275 HA TYR 8 HA TYR 8 -0.082 3.783 -8.419 276 1HB TYR 8 2HB TYR 8 -2.813 3.662 -9.701 277 2HB TYR 8 1HB TYR 8 -1.280 4.122 -10.431 278 HD1 TYR 8 HD1 TYR 8 0.570 2.050 -9.921 279 HD2 TYR 8 HD2 TYR 8 -3.644 1.688 -10.623 280 HE1 TYR 8 HE1 TYR 8 0.914 -0.261 -10.730 281 HE2 TYR 8 HE2 TYR 8 -3.300 -0.626 -11.438 282 HH TYR 8 HH TYR 8 -0.494 -1.840 -12.412 283 H PHE 9 H PHE 9 -0.054 5.707 -7.167 284 HA PHE 9 HA PHE 9 -2.615 7.196 -6.889 285 1HB PHE 9 2HB PHE 9 -2.707 5.813 -4.974 286 2HB PHE 9 1HB PHE 9 -0.982 5.973 -4.668 287 HD1 PHE 9 HD1 PHE 9 -0.070 8.003 -3.624 288 HD2 PHE 9 HD2 PHE 9 -4.287 7.558 -4.294 289 HE1 PHE 9 HE1 PHE 9 -0.502 9.872 -2.072 290 HE2 PHE 9 HE2 PHE 9 -4.715 9.436 -2.735 291 HZ PHE 9 HZ PHE 9 -2.832 10.596 -1.626 292 H TYR 10 H TYR 10 -1.689 9.026 -8.062 293 HA TYR 10 HA TYR 10 0.384 10.506 -6.490 294 1HB TYR 10 2HB TYR 10 0.973 9.337 -8.929 295 2HB TYR 10 1HB TYR 10 0.517 10.967 -9.394 296 HD1 TYR 10 HD1 TYR 10 2.871 8.923 -7.424 297 HD2 TYR 10 HD2 TYR 10 1.821 12.892 -8.688 298 HE1 TYR 10 HE1 TYR 10 5.070 9.755 -6.640 299 HE2 TYR 10 HE2 TYR 10 4.021 13.723 -7.903 300 HH TYR 10 HH TYR 10 5.886 13.215 -6.792 301 H ASN 11 H ASN 11 0.411 12.901 -7.239 302 HA ASN 11 HA ASN 11 -2.404 13.745 -7.852 303 1HB ASN 11 2HB ASN 11 -2.050 15.548 -6.303 304 2HB ASN 11 1HB ASN 11 -1.433 14.095 -5.515 305 1HD2 ASN 11 1HD2 ASN 11 -0.546 17.228 -6.769 306 2HD2 ASN 11 2HD2 ASN 11 1.110 17.126 -6.410 307 H ALA 12 H ALA 12 0.231 13.363 -9.528 308 HA ALA 12 HA ALA 12 0.677 16.118 -10.513 309 1HB ALA 12 1HB ALA 12 1.887 13.400 -10.808 310 2HB ALA 12 2HB ALA 12 2.670 14.941 -10.456 311 3HB ALA 12 3HB ALA 12 2.167 14.563 -12.103 312 H LYS 13 H LYS 13 0.203 16.737 -12.700 313 HA LYS 13 HA LYS 13 -2.255 15.970 -13.817 314 1HB LYS 13 2HB LYS 13 0.259 16.988 -15.185 315 2HB LYS 13 1HB LYS 13 -1.375 17.108 -15.836 316 1HG LYS 13 2HG LYS 13 -1.984 18.775 -14.381 317 2HG LYS 13 1HG LYS 13 -0.955 18.163 -13.085 318 1HD LYS 13 2HD LYS 13 0.022 19.595 -15.575 319 2HD LYS 13 1HD LYS 13 -0.092 20.305 -13.963 320 1HE LYS 13 2HE LYS 13 2.013 19.545 -13.588 321 2HE LYS 13 1HE LYS 13 1.348 17.900 -13.620 322 1HZ LYS 13 1HZ LYS 13 2.933 17.961 -15.340 323 2HZ LYS 13 2HZ LYS 13 2.410 19.482 -15.889 324 3HZ LYS 13 3HZ LYS 13 1.433 18.111 -16.120 325 H ASP 14 H ASP 14 -2.428 13.645 -13.877 326 HA ASP 14 HA ASP 14 -2.184 11.505 -14.853 327 1HB ASP 14 2HB ASP 14 -1.586 13.552 -16.959 328 2HB ASP 14 1HB ASP 14 -1.315 11.853 -17.348 329 H GLY 15 H GLY 15 0.057 12.494 -13.256 330 1HA GLY 15 2HA GLY 15 2.482 11.697 -14.731 331 2HA GLY 15 1HA GLY 15 2.428 12.285 -13.068 332 H CLH 16 H CLH 16 0.505 9.639 -14.442 333 HA CLH 16 HA CLH 16 0.376 7.368 -13.806 334 1HB CLH 16 1HB CLH 16 3.247 7.643 -12.939 335 2HB CLH 16 2HB CLH 16 2.824 7.808 -14.644 336 1HG CLH 16 1HG CLH 16 2.058 5.440 -12.908 337 2HG CLH 16 2HG CLH 16 3.441 5.463 -14.001 338 1HD CLH 16 1HD CLH 16 2.073 4.863 -15.687 339 2HD CLH 16 2HD CLH 16 1.199 6.382 -15.486 340 1HE CLH 16 1HE CLH 16 -0.484 5.392 -14.226 341 2HE CLH 16 2HE CLH 16 0.597 4.139 -13.582 342 HNZ CLH 16 HNZ CLH 16 0.405 3.838 -16.424 343 1HI CLH 16 1HI CLH 16 -2.215 2.536 -17.168 344 2HI CLH 16 2HI CLH 16 -0.561 1.926 -17.216 345 HNJ CLH 16 HNJ CLH 16 -1.319 0.208 -15.515 346 HL CLH 16 HL CLH 16 -2.516 -1.474 -15.462 347 2HN ABA 17 HN ABA 17 -1.015 7.804 -11.968 348 HA ABA 17 HA ABA 17 -0.453 8.713 -9.439 349 1HB ABA 17 1HB ABA 17 -2.642 8.067 -9.870 350 2HB ABA 17 2HB ABA 17 -2.115 6.802 -8.774 351 1HG ABA 17 1HG ABA 17 -2.815 6.651 -11.632 352 2HG ABA 17 2HG ABA 17 -2.851 5.389 -10.402 353 3HG ABA 17 3HG ABA 17 -1.335 5.793 -11.209 354 H GLN 18 H GLN 18 1.006 8.141 -7.851 355 HA GLN 18 HA GLN 18 3.180 6.758 -7.661 356 1HB GLN 18 2HB GLN 18 2.135 7.668 -5.686 357 2HB GLN 18 1HB GLN 18 0.864 6.448 -5.733 358 1HG GLN 18 2HG GLN 18 2.586 4.683 -5.395 359 2HG GLN 18 1HG GLN 18 3.814 5.940 -5.253 360 1HE2 GLN 18 1HE2 GLN 18 1.809 7.750 -3.832 361 2HE2 GLN 18 2HE2 GLN 18 1.723 7.133 -2.254 362 H THR 19 H THR 19 3.237 5.105 -9.348 363 HA THR 19 HA THR 19 1.746 2.609 -8.749 364 HB THR 19 HB THR 19 3.379 3.569 -11.113 365 HG1 THR 19 HG1 THR 19 1.069 3.284 -11.949 366 1HG2 THR 19 1HG2 THR 19 1.683 1.404 -11.798 367 2HG2 THR 19 2HG2 THR 19 2.572 0.917 -10.356 368 3HG2 THR 19 3HG2 THR 19 3.446 1.432 -11.798 369 H PHE 20 H PHE 20 2.867 1.416 -7.223 370 HA PHE 20 HA PHE 20 5.772 0.920 -7.799 371 1HB PHE 20 2HB PHE 20 5.940 0.619 -5.296 372 2HB PHE 20 1HB PHE 20 5.514 2.255 -5.794 373 HD1 PHE 20 HD1 PHE 20 3.900 -1.002 -4.857 374 HD2 PHE 20 HD2 PHE 20 3.659 3.285 -4.836 375 HE1 PHE 20 HE1 PHE 20 1.824 -1.125 -3.506 376 HE2 PHE 20 HE2 PHE 20 1.583 3.164 -3.485 377 HZ PHE 20 HZ PHE 20 0.667 0.957 -2.818 378 H VAL 21 H VAL 21 6.429 -1.258 -7.718 379 HA VAL 21 HA VAL 21 4.268 -3.267 -7.173 380 HB VAL 21 HB VAL 21 5.040 -4.474 -9.114 381 1HG1 VAL 21 1HG1 VAL 21 4.005 -1.869 -9.233 382 2HG1 VAL 21 2HG1 VAL 21 3.972 -3.073 -10.522 383 3HG1 VAL 21 3HG1 VAL 21 5.288 -1.902 -10.442 384 1HG2 VAL 21 1HG2 VAL 21 6.987 -2.886 -10.320 385 2HG2 VAL 21 2HG2 VAL 21 7.270 -4.418 -9.495 386 3HG2 VAL 21 3HG2 VAL 21 7.451 -2.898 -8.618 387 H TYR 22 H TYR 22 5.024 -5.305 -6.338 388 HA TYR 22 HA TYR 22 7.850 -5.321 -5.337 389 1HB TYR 22 2HB TYR 22 6.648 -4.714 -3.428 390 2HB TYR 22 1HB TYR 22 5.211 -5.596 -3.935 391 HD1 TYR 22 HD1 TYR 22 8.483 -5.838 -2.285 392 HD2 TYR 22 HD2 TYR 22 5.032 -8.023 -3.613 393 HE1 TYR 22 HE1 TYR 22 9.175 -7.774 -0.898 394 HE2 TYR 22 HE2 TYR 22 5.723 -9.960 -2.228 395 HH TYR 22 HH TYR 22 8.205 -9.733 0.136 396 H GLY 23 H GLY 23 4.953 -7.169 -6.232 397 1HA GLY 23 2HA GLY 23 6.186 -9.767 -5.943 398 2HA GLY 23 1HA GLY 23 4.702 -9.430 -6.834 399 H GLY 24 H GLY 24 6.352 -11.224 -8.001 400 1HA GLY 24 2HA GLY 24 6.740 -10.478 -10.596 401 2HA GLY 24 1HA GLY 24 8.215 -9.884 -9.832 402 H CYS 25 H CYS 25 8.536 -11.961 -7.910 403 HA CYS 25 HA CYS 25 10.106 -13.852 -9.211 404 1HB CYS 25 2HB CYS 25 9.719 -15.211 -7.158 405 2HB CYS 25 1HB CYS 25 9.976 -13.507 -6.778 406 1HN NH2 26 1H CYS 25 6.589 -13.735 -9.129 407 2HN NH2 26 2H CYS 25 6.323 -15.202 -9.941 Start of MODEL 18 1 1HA MPT 1 1HA MPT 1 -5.173 -18.897 -8.314 2 2HA MPT 1 2HA MPT 1 -3.405 -19.007 -8.352 3 1HB MPT 1 1HB MPT 1 -4.190 -19.450 -6.095 4 2HB MPT 1 2HB MPT 1 -5.192 -17.999 -6.107 5 H LYS 2 H LYS 2 -6.142 -16.764 -8.418 6 HA LYS 2 HA LYS 2 -4.415 -14.411 -8.763 7 1HB LYS 2 2HB LYS 2 -5.205 -16.130 -10.954 8 2HB LYS 2 1HB LYS 2 -5.878 -14.515 -11.176 9 1HG LYS 2 2HG LYS 2 -3.753 -13.494 -11.155 10 2HG LYS 2 1HG LYS 2 -2.991 -14.895 -10.399 11 1HD LYS 2 2HD LYS 2 -4.303 -15.382 -13.016 12 2HD LYS 2 1HD LYS 2 -2.840 -14.397 -13.054 13 1HE LYS 2 2HE LYS 2 -1.822 -16.264 -11.533 14 2HE LYS 2 1HE LYS 2 -3.161 -17.253 -12.147 15 1HZ LYS 2 1HZ LYS 2 -1.473 -17.520 -13.727 16 2HZ LYS 2 2HZ LYS 2 -1.039 -15.878 -13.686 17 3HZ LYS 2 3HZ LYS 2 -2.497 -16.357 -14.416 18 H ALA 3 H ALA 3 -5.976 -13.865 -6.964 19 HA ALA 3 HA ALA 3 -8.729 -13.221 -7.942 20 1HB ALA 3 1HB ALA 3 -9.369 -13.399 -5.672 21 2HB ALA 3 2HB ALA 3 -7.726 -13.112 -5.097 22 3HB ALA 3 3HB ALA 3 -8.141 -14.653 -5.848 23 H CLG 4 H CLG 4 -7.019 -11.449 -9.013 24 HA CLG 4 HA CLG 4 -6.304 -9.220 -7.303 25 1HB CLG 4 1HB CLG 4 -6.633 -9.557 -10.302 26 2HB CLG 4 2HB CLG 4 -5.138 -9.725 -9.381 27 1HG CLG 4 1HG CLG 4 -4.964 -7.424 -9.000 28 2HG CLG 4 2HG CLG 4 -6.692 -7.155 -9.231 29 1HD CLG 4 1HD CLG 4 -6.506 -7.076 -11.525 30 2HD CLG 4 2HD CLG 4 -5.166 -8.224 -11.559 31 1HE CLG 4 1HE CLG 4 -3.576 -6.546 -10.991 32 2HE CLG 4 2HE CLG 4 -4.837 -5.429 -10.431 33 HNZ CLG 4 HNZ CLG 4 -5.254 -6.180 -13.198 34 1HI CLG 4 1HI CLG 4 -4.268 -4.917 -14.991 35 2HI CLG 4 2HI CLG 4 -5.322 -3.619 -14.430 36 HNJ CLG 4 HNJ CLG 4 -2.347 -3.307 -14.557 37 1HL CLG 4 1HL CLG 4 -1.903 -0.732 -14.525 38 2HL CLG 4 2HL CLG 4 -1.880 -1.321 -16.186 39 H ILE 5 H ILE 5 -7.461 -7.335 -6.904 40 HA ILE 5 HA ILE 5 -10.178 -7.087 -8.153 41 HB ILE 5 HB ILE 5 -9.308 -6.645 -5.276 42 1HG1 ILE 5 2HG1 ILE 5 -11.485 -8.508 -5.736 43 2HG1 ILE 5 1HG1 ILE 5 -10.051 -8.991 -6.643 44 1HG2 ILE 5 1HG2 ILE 5 -11.797 -6.335 -4.927 45 2HG2 ILE 5 2HG2 ILE 5 -11.963 -6.249 -6.680 46 3HG2 ILE 5 3HG2 ILE 5 -11.015 -5.034 -5.824 47 1HD1 ILE 5 1HD1 ILE 5 -9.764 -8.138 -3.778 48 2HD1 ILE 5 2HD1 ILE 5 -8.751 -9.231 -4.721 49 3HD1 ILE 5 3HD1 ILE 5 -10.329 -9.769 -4.145 50 H ILE 6 H ILE 6 -9.143 -5.522 -9.622 51 HA ILE 6 HA ILE 6 -7.650 -3.250 -8.759 52 HB ILE 6 HB ILE 6 -9.510 -3.421 -11.140 53 1HG1 ILE 6 2HG1 ILE 6 -6.831 -4.253 -11.744 54 2HG1 ILE 6 1HG1 ILE 6 -7.432 -5.234 -10.407 55 1HG2 ILE 6 1HG2 ILE 6 -7.698 -1.476 -10.257 56 2HG2 ILE 6 2HG2 ILE 6 -8.399 -1.600 -11.871 57 3HG2 ILE 6 3HG2 ILE 6 -6.837 -2.344 -11.529 58 1HD1 ILE 6 1HD1 ILE 6 -9.416 -4.811 -12.533 59 2HD1 ILE 6 2HD1 ILE 6 -8.941 -6.302 -11.718 60 3HD1 ILE 6 3HD1 ILE 6 -7.984 -5.691 -13.069 61 H ARG 7 H ARG 7 -8.429 -1.795 -7.298 62 HA ARG 7 HA ARG 7 -11.296 -0.953 -7.480 63 1HB ARG 7 2HB ARG 7 -9.497 -1.668 -5.370 64 2HB ARG 7 1HB ARG 7 -9.921 0.031 -5.166 65 1HG ARG 7 2HG ARG 7 -11.994 -0.505 -4.470 66 2HG ARG 7 1HG ARG 7 -12.261 -1.509 -5.895 67 1HD ARG 7 2HD ARG 7 -11.531 -3.453 -4.831 68 2HD ARG 7 1HD ARG 7 -10.516 -2.560 -3.680 69 HE ARG 7 HE ARG 7 -12.549 -1.890 -2.487 70 1HH1 ARG 7 1HH1 ARG 7 -14.137 -2.445 -5.174 71 2HH1 ARG 7 2HH1 ARG 7 -15.173 -3.717 -4.618 72 1HH2 ARG 7 1HH2 ARG 7 -13.377 -4.266 -1.704 73 2HH2 ARG 7 2HH2 ARG 7 -14.744 -4.747 -2.654 74 H TYR 8 H TYR 8 -11.356 0.824 -8.853 75 HA TYR 8 HA TYR 8 -9.115 2.726 -8.957 76 1HB TYR 8 2HB TYR 8 -11.313 1.858 -10.577 77 2HB TYR 8 1HB TYR 8 -11.414 3.609 -10.390 78 HD1 TYR 8 HD1 TYR 8 -10.079 1.114 -12.396 79 HD2 TYR 8 HD2 TYR 8 -8.934 4.774 -10.460 80 HE1 TYR 8 HE1 TYR 8 -8.221 1.386 -14.014 81 HE2 TYR 8 HE2 TYR 8 -7.076 5.045 -12.079 82 HH TYR 8 HH TYR 8 -6.857 3.753 -14.862 83 H PHE 9 H PHE 9 -9.316 4.961 -8.480 84 HA PHE 9 HA PHE 9 -11.713 5.918 -7.015 85 1HB PHE 9 2HB PHE 9 -8.893 5.796 -5.886 86 2HB PHE 9 1HB PHE 9 -10.258 6.588 -5.100 87 HD1 PHE 9 HD1 PHE 9 -8.405 3.623 -5.220 88 HD2 PHE 9 HD2 PHE 9 -12.456 5.028 -4.969 89 HE1 PHE 9 HE1 PHE 9 -9.096 1.457 -4.229 90 HE2 PHE 9 HE2 PHE 9 -13.147 2.862 -3.979 91 HZ PHE 9 HZ PHE 9 -11.466 1.077 -3.609 92 H TYR 10 H TYR 10 -11.621 7.148 -9.151 93 HA TYR 10 HA TYR 10 -9.679 8.790 -10.161 94 1HB TYR 10 2HB TYR 10 -12.090 8.514 -10.874 95 2HB TYR 10 1HB TYR 10 -12.522 9.689 -9.631 96 HD1 TYR 10 HD1 TYR 10 -9.510 9.595 -11.840 97 HD2 TYR 10 HD2 TYR 10 -13.161 11.617 -10.828 98 HE1 TYR 10 HE1 TYR 10 -8.911 11.447 -13.378 99 HE2 TYR 10 HE2 TYR 10 -12.562 13.470 -12.368 100 HH TYR 10 HH TYR 10 -10.173 13.229 -14.689 101 H ASN 11 H ASN 11 -9.328 11.167 -9.905 102 HA ASN 11 HA ASN 11 -8.887 11.814 -7.066 103 1HB ASN 11 2HB ASN 11 -7.493 13.573 -8.007 104 2HB ASN 11 1HB ASN 11 -7.189 12.083 -8.897 105 1HD2 ASN 11 1HD2 ASN 11 -6.910 14.913 -9.869 106 2HD2 ASN 11 2HD2 ASN 11 -7.922 15.025 -11.227 107 H ALA 12 H ALA 12 -11.181 12.654 -9.547 108 HA ALA 12 HA ALA 12 -11.905 15.263 -8.975 109 1HB ALA 12 1HB ALA 12 -13.581 12.784 -9.428 110 2HB ALA 12 2HB ALA 12 -13.045 13.955 -10.632 111 3HB ALA 12 3HB ALA 12 -14.262 14.411 -9.442 112 H LYS 13 H LYS 13 -13.582 12.568 -7.368 113 HA LYS 13 HA LYS 13 -14.882 13.976 -5.348 114 1HB LYS 13 2HB LYS 13 -13.887 11.200 -5.789 115 2HB LYS 13 1HB LYS 13 -14.463 11.606 -4.173 116 1HG LYS 13 2HG LYS 13 -16.616 11.610 -4.847 117 2HG LYS 13 1HG LYS 13 -16.246 12.628 -6.238 118 1HD LYS 13 2HD LYS 13 -15.110 10.256 -6.999 119 2HD LYS 13 1HD LYS 13 -16.503 9.692 -6.074 120 1HE LYS 13 2HE LYS 13 -17.923 10.292 -7.735 121 2HE LYS 13 1HE LYS 13 -17.226 11.923 -7.808 122 1HZ LYS 13 1HZ LYS 13 -16.825 10.640 -9.857 123 2HZ LYS 13 2HZ LYS 13 -15.961 9.489 -8.953 124 3HZ LYS 13 3HZ LYS 13 -15.384 11.083 -9.080 125 H ASP 14 H ASP 14 -12.381 11.784 -4.252 126 HA ASP 14 HA ASP 14 -11.712 13.384 -1.982 127 1HB ASP 14 2HB ASP 14 -10.651 10.973 -3.401 128 2HB ASP 14 1HB ASP 14 -9.650 11.711 -2.150 129 H GLY 15 H GLY 15 -10.908 13.967 -5.235 130 1HA GLY 15 2HA GLY 15 -9.402 15.622 -6.069 131 2HA GLY 15 1HA GLY 15 -8.940 15.972 -4.405 132 H LEU 16 H LEU 16 -8.769 12.642 -5.212 133 HA LEU 16 HA LEU 16 -5.909 12.784 -6.027 134 1HB LEU 16 2HB LEU 16 -5.833 12.927 -3.618 135 2HB LEU 16 1HB LEU 16 -7.004 11.619 -3.452 136 HG LEU 16 HG LEU 16 -4.505 11.040 -4.976 137 1HD1 LEU 16 1HD1 LEU 16 -3.998 10.395 -2.264 138 2HD1 LEU 16 2HD1 LEU 16 -4.499 12.085 -2.289 139 3HD1 LEU 16 3HD1 LEU 16 -3.131 11.556 -3.268 140 1HD2 LEU 16 1HD2 LEU 16 -5.633 9.068 -4.832 141 2HD2 LEU 16 2HD2 LEU 16 -6.633 9.638 -3.497 142 3HD2 LEU 16 3HD2 LEU 16 -5.016 9.011 -3.182 143 2HN ABA 17 HN ABA 17 -5.903 11.380 -7.774 144 HA ABA 17 HA ABA 17 -7.820 9.205 -8.066 145 1HB ABA 17 1HB ABA 17 -5.221 9.553 -9.571 146 2HB ABA 17 2HB ABA 17 -6.588 10.631 -9.846 147 1HG ABA 17 1HG ABA 17 -6.227 7.803 -10.627 148 2HG ABA 17 2HG ABA 17 -7.227 9.054 -11.365 149 3HG ABA 17 3HG ABA 17 -7.810 8.181 -9.948 150 H GLN 18 H GLN 18 -7.138 6.883 -8.235 151 HA GLN 18 HA GLN 18 -4.574 5.934 -7.375 152 1HB GLN 18 2HB GLN 18 -5.007 6.911 -5.263 153 2HB GLN 18 1HB GLN 18 -6.705 6.435 -5.297 154 1HG GLN 18 2HG GLN 18 -6.107 4.094 -5.028 155 2HG GLN 18 1HG GLN 18 -4.390 4.482 -5.148 156 1HE2 GLN 18 1HE2 GLN 18 -6.635 3.696 -2.879 157 2HE2 GLN 18 2HE2 GLN 18 -6.030 4.557 -1.546 158 H THR 19 H THR 19 -4.527 3.854 -8.131 159 HA THR 19 HA THR 19 -7.117 2.340 -8.257 160 HB THR 19 HB THR 19 -4.794 1.622 -9.975 161 HG1 THR 19 HG1 THR 19 -5.563 3.377 -11.407 162 1HG2 THR 19 1HG2 THR 19 -6.704 1.535 -11.654 163 2HG2 THR 19 2HG2 THR 19 -7.784 1.898 -10.309 164 3HG2 THR 19 3HG2 THR 19 -6.831 0.415 -10.298 165 H PHE 20 H PHE 20 -6.648 1.511 -6.056 166 HA PHE 20 HA PHE 20 -4.248 -0.184 -5.709 167 1HB PHE 20 2HB PHE 20 -4.853 1.118 -3.826 168 2HB PHE 20 1HB PHE 20 -6.570 0.782 -4.038 169 HD1 PHE 20 HD1 PHE 20 -3.388 -0.453 -2.702 170 HD2 PHE 20 HD2 PHE 20 -7.520 -1.403 -3.392 171 HE1 PHE 20 HE1 PHE 20 -3.213 -2.361 -1.127 172 HE2 PHE 20 HE2 PHE 20 -7.344 -3.313 -1.818 173 HZ PHE 20 HZ PHE 20 -5.190 -3.791 -0.685 174 H VAL 21 H VAL 21 -4.439 -2.147 -6.807 175 HA VAL 21 HA VAL 21 -7.063 -3.519 -6.881 176 HB VAL 21 HB VAL 21 -6.123 -4.757 -8.663 177 1HG1 VAL 21 1HG1 VAL 21 -5.926 -1.977 -8.648 178 2HG1 VAL 21 2HG1 VAL 21 -5.841 -3.014 -10.071 179 3HG1 VAL 21 3HG1 VAL 21 -4.360 -2.506 -9.259 180 1HG2 VAL 21 1HG2 VAL 21 -3.398 -3.913 -7.624 181 2HG2 VAL 21 2HG2 VAL 21 -3.685 -4.901 -9.055 182 3HG2 VAL 21 3HG2 VAL 21 -4.108 -5.518 -7.458 183 H TYR 22 H TYR 22 -3.743 -4.164 -5.807 184 HA TYR 22 HA TYR 22 -2.956 -5.633 -4.115 185 1HB TYR 22 2HB TYR 22 -5.092 -4.462 -3.129 186 2HB TYR 22 1HB TYR 22 -5.831 -6.047 -3.343 187 HD1 TYR 22 HD1 TYR 22 -2.855 -4.352 -1.843 188 HD2 TYR 22 HD2 TYR 22 -5.467 -7.760 -1.770 189 HE1 TYR 22 HE1 TYR 22 -1.760 -5.146 0.235 190 HE2 TYR 22 HE2 TYR 22 -4.372 -8.556 0.308 191 HH TYR 22 HH TYR 22 -2.274 -6.590 2.147 192 H GLY 23 H GLY 23 -2.802 -7.945 -3.730 193 1HA GLY 23 2HA GLY 23 -3.854 -9.555 -5.954 194 2HA GLY 23 1HA GLY 23 -2.712 -10.104 -4.726 195 H GLY 24 H GLY 24 -3.519 -11.413 -3.140 196 1HA GLY 24 2HA GLY 24 -5.801 -11.227 -1.645 197 2HA GLY 24 1HA GLY 24 -6.394 -11.986 -3.122 198 H CYS 25 H CYS 25 -5.057 -13.962 -3.829 199 HA CYS 25 HA CYS 25 -4.930 -15.837 -1.607 200 1HB CYS 25 2HB CYS 25 -4.368 -17.406 -3.437 201 2HB CYS 25 1HB CYS 25 -5.719 -16.370 -3.898 202 1HN NH2 26 1H CYS 25 -2.642 -13.617 -2.888 203 2HN NH2 26 2H CYS 25 -1.231 -14.354 -2.299 204 1HA MPT 1 1HA MPT 1 3.731 -17.527 -11.967 205 2HA MPT 1 2HA MPT 1 2.508 -18.542 -11.189 206 1HB MPT 1 1HB MPT 1 1.259 -16.096 -11.329 207 2HB MPT 1 2HB MPT 1 1.093 -17.358 -12.549 208 H LYS 2 H LYS 2 2.830 -15.064 -10.656 209 HA LYS 2 HA LYS 2 3.213 -15.597 -7.761 210 1HB LYS 2 2HB LYS 2 5.264 -14.772 -9.661 211 2HB LYS 2 1HB LYS 2 5.075 -13.591 -8.364 212 1HG LYS 2 2HG LYS 2 5.465 -15.249 -6.676 213 2HG LYS 2 1HG LYS 2 5.348 -16.561 -7.849 214 1HD LYS 2 2HD LYS 2 7.339 -14.755 -8.790 215 2HD LYS 2 1HD LYS 2 7.671 -15.068 -7.087 216 1HE LYS 2 2HE LYS 2 8.342 -17.193 -7.526 217 2HE LYS 2 1HE LYS 2 6.916 -17.503 -8.536 218 1HZ LYS 2 1HZ LYS 2 7.996 -16.017 -10.231 219 2HZ LYS 2 2HZ LYS 2 8.759 -17.516 -9.993 220 3HZ LYS 2 3HZ LYS 2 9.416 -16.107 -9.309 221 H ALA 3 H ALA 3 0.992 -14.632 -7.833 222 HA ALA 3 HA ALA 3 0.231 -12.148 -8.849 223 1HB ALA 3 1HB ALA 3 -1.395 -12.166 -6.993 224 2HB ALA 3 2HB ALA 3 -0.410 -13.349 -6.133 225 3HB ALA 3 3HB ALA 3 -1.196 -13.791 -7.648 226 H ARG 4 H ARG 4 -0.086 -10.081 -7.496 227 HA ARG 4 HA ARG 4 2.053 -9.595 -5.493 228 1HB ARG 4 2HB ARG 4 2.969 -7.757 -6.828 229 2HB ARG 4 1HB ARG 4 2.992 -9.237 -7.786 230 1HG ARG 4 2HG ARG 4 0.573 -8.382 -8.508 231 2HG ARG 4 1HG ARG 4 1.263 -6.816 -8.081 232 1HD ARG 4 2HD ARG 4 3.165 -8.367 -9.638 233 2HD ARG 4 1HD ARG 4 1.632 -8.177 -10.512 234 HE ARG 4 HE ARG 4 2.309 -5.687 -9.277 235 1HH1 ARG 4 1HH1 ARG 4 4.985 -6.407 -10.389 236 2HH1 ARG 4 2HH1 ARG 4 4.895 -5.779 -12.001 237 1HH2 ARG 4 1HH2 ARG 4 1.441 -5.477 -11.975 238 2HH2 ARG 4 2HH2 ARG 4 2.889 -5.253 -12.900 239 H ILE 5 H ILE 5 1.805 -6.762 -5.555 240 HA ILE 5 HA ILE 5 -1.100 -6.340 -4.938 241 HB ILE 5 HB ILE 5 1.359 -5.491 -3.375 242 1HG1 ILE 5 2HG1 ILE 5 -0.881 -7.189 -2.320 243 2HG1 ILE 5 1HG1 ILE 5 0.353 -7.938 -3.334 244 1HG2 ILE 5 1HG2 ILE 5 -0.054 -3.759 -2.849 245 2HG2 ILE 5 2HG2 ILE 5 -0.718 -4.960 -1.739 246 3HG2 ILE 5 3HG2 ILE 5 -1.500 -4.667 -3.294 247 1HD1 ILE 5 1HD1 ILE 5 1.384 -8.184 -1.289 248 2HD1 ILE 5 2HD1 ILE 5 0.601 -6.760 -0.605 249 3HD1 ILE 5 3HD1 ILE 5 1.973 -6.572 -1.697 250 H ILE 6 H ILE 6 -0.862 -5.408 -7.245 251 HA ILE 6 HA ILE 6 0.713 -3.086 -7.789 252 HB ILE 6 HB ILE 6 -1.923 -4.125 -8.867 253 1HG1 ILE 6 2HG1 ILE 6 0.846 -4.244 -10.084 254 2HG1 ILE 6 1HG1 ILE 6 0.205 -5.525 -9.055 255 1HG2 ILE 6 1HG2 ILE 6 -2.064 -2.321 -10.205 256 2HG2 ILE 6 2HG2 ILE 6 -0.389 -2.522 -10.718 257 3HG2 ILE 6 3HG2 ILE 6 -0.762 -1.584 -9.272 258 1HD1 ILE 6 1HD1 ILE 6 -0.666 -4.681 -11.794 259 2HD1 ILE 6 2HD1 ILE 6 -1.868 -5.358 -10.697 260 3HD1 ILE 6 3HD1 ILE 6 -0.448 -6.304 -11.141 261 H ARG 7 H ARG 7 0.561 -1.222 -6.591 262 HA ARG 7 HA ARG 7 -2.178 -0.290 -5.786 263 1HB ARG 7 2HB ARG 7 0.533 0.127 -4.483 264 2HB ARG 7 1HB ARG 7 -1.001 0.738 -3.863 265 1HG ARG 7 2HG ARG 7 -1.657 -1.861 -4.146 266 2HG ARG 7 1HG ARG 7 0.075 -2.034 -3.854 267 1HD ARG 7 2HD ARG 7 -1.587 -0.247 -2.078 268 2HD ARG 7 1HD ARG 7 -1.502 -1.995 -1.778 269 HE ARG 7 HE ARG 7 1.125 -0.847 -2.244 270 1HH1 ARG 7 1HH2 ARG 7 -1.102 0.035 0.058 271 2HH1 ARG 7 2HH2 ARG 7 -0.186 -0.497 1.427 272 1HH2 ARG 7 1HH1 ARG 7 2.204 -2.137 -0.475 273 2HH2 ARG 7 2HH1 ARG 7 1.686 -1.727 1.126 274 H TYR 8 H TYR 8 -2.412 0.963 -7.763 275 HA TYR 8 HA TYR 8 -0.401 2.905 -8.579 276 1HB TYR 8 2HB TYR 8 -3.338 2.524 -9.242 277 2HB TYR 8 1HB TYR 8 -2.253 3.607 -10.110 278 HD1 TYR 8 HD1 TYR 8 -3.701 1.410 -11.494 279 HD2 TYR 8 HD2 TYR 8 0.106 1.412 -9.500 280 HE1 TYR 8 HE1 TYR 8 -2.952 -0.478 -12.916 281 HE2 TYR 8 HE2 TYR 8 0.851 -0.473 -10.923 282 HH TYR 8 HH TYR 8 0.232 -1.389 -13.233 283 H PHE 9 H PHE 9 -0.523 5.183 -8.324 284 HA PHE 9 HA PHE 9 -2.639 6.313 -6.577 285 1HB PHE 9 2HB PHE 9 -0.786 5.356 -5.161 286 2HB PHE 9 1HB PHE 9 0.324 6.474 -5.947 287 HD1 PHE 9 HD1 PHE 9 0.479 8.737 -5.263 288 HD2 PHE 9 HD2 PHE 9 -2.778 6.298 -3.890 289 HE1 PHE 9 HE1 PHE 9 -0.183 10.519 -3.671 290 HE2 PHE 9 HE2 PHE 9 -3.442 8.080 -2.297 291 HZ PHE 9 HZ PHE 9 -2.143 10.191 -2.188 292 H TYR 10 H TYR 10 -2.230 6.798 -9.295 293 HA TYR 10 HA TYR 10 -0.554 8.716 -10.289 294 1HB TYR 10 2HB TYR 10 -2.259 7.905 -11.686 295 2HB TYR 10 1HB TYR 10 -3.522 8.250 -10.507 296 HD1 TYR 10 HD1 TYR 10 -0.807 10.587 -11.478 297 HD2 TYR 10 HD2 TYR 10 -4.964 9.587 -11.883 298 HE1 TYR 10 HE1 TYR 10 -1.227 12.777 -12.564 299 HE2 TYR 10 HE2 TYR 10 -5.385 11.777 -12.970 300 HH TYR 10 HH TYR 10 -4.513 13.794 -13.434 301 H ASN 11 H ASN 11 -3.147 9.301 -7.926 302 HA ASN 11 HA ASN 11 -3.642 11.239 -6.655 303 1HB ASN 11 2HB ASN 11 -1.311 10.755 -5.975 304 2HB ASN 11 1HB ASN 11 -0.718 11.714 -7.331 305 1HD2 ASN 11 1HD2 ASN 11 -0.645 13.994 -7.075 306 2HD2 ASN 11 2HD2 ASN 11 -1.174 14.798 -5.677 307 H ALA 12 H ALA 12 -3.522 13.762 -6.827 308 HA ALA 12 HA ALA 12 -4.205 14.487 -9.612 309 1HB ALA 12 1HB ALA 12 -5.237 16.385 -8.562 310 2HB ALA 12 2HB ALA 12 -4.288 16.162 -7.090 311 3HB ALA 12 3HB ALA 12 -5.553 15.005 -7.508 312 H LYS 13 H LYS 13 -3.474 17.364 -8.760 313 HA LYS 13 HA LYS 13 -1.714 18.815 -9.410 314 1HB LYS 13 2HB LYS 13 -1.102 17.125 -7.196 315 2HB LYS 13 1HB LYS 13 0.379 17.318 -8.135 316 1HG LYS 13 2HG LYS 13 -1.258 19.764 -7.661 317 2HG LYS 13 1HG LYS 13 -0.366 19.111 -6.285 318 1HD LYS 13 2HD LYS 13 1.647 19.008 -7.935 319 2HD LYS 13 1HD LYS 13 0.703 20.139 -8.908 320 1HE LYS 13 2HE LYS 13 0.916 20.787 -6.009 321 2HE LYS 13 1HE LYS 13 2.394 20.978 -6.972 322 1HZ LYS 13 1HZ LYS 13 1.273 22.346 -8.516 323 2HZ LYS 13 2HZ LYS 13 0.849 22.944 -6.984 324 3HZ LYS 13 3HZ LYS 13 -0.249 21.988 -7.860 325 H ASP 14 H ASP 14 0.990 18.293 -9.908 326 HA ASP 14 HA ASP 14 0.829 16.990 -12.543 327 1HB ASP 14 2HB ASP 14 2.189 19.117 -11.429 328 2HB ASP 14 1HB ASP 14 3.438 17.874 -11.504 329 H GLY 15 H GLY 15 0.447 15.155 -10.357 330 1HA GLY 15 2HA GLY 15 3.047 13.692 -10.270 331 2HA GLY 15 1HA GLY 15 1.713 13.440 -9.143 332 H CLH 16 H CLH 16 2.145 13.365 -12.705 333 HA CLH 16 HA CLH 16 0.085 11.369 -13.080 334 1HB CLH 16 1HB CLH 16 2.247 11.677 -15.084 335 2HB CLH 16 2HB CLH 16 1.432 13.170 -14.617 336 1HG CLH 16 1HG CLH 16 0.050 12.437 -16.341 337 2HG CLH 16 2HG CLH 16 -0.748 11.707 -14.947 338 1HD CLH 16 1HD CLH 16 1.302 9.916 -15.762 339 2HD CLH 16 2HD CLH 16 0.441 10.406 -17.220 340 1HE CLH 16 1HE CLH 16 -1.719 9.828 -16.091 341 2HE CLH 16 2HE CLH 16 -0.793 9.241 -14.694 342 HNZ CLH 16 HNZ CLH 16 0.186 8.096 -17.171 343 1HI CLH 16 1HI CLH 16 -1.194 5.910 -18.013 344 2HI CLH 16 2HI CLH 16 0.176 5.600 -16.945 345 HNJ CLH 16 HNJ CLH 16 -2.139 4.765 -15.560 346 HL CLH 16 HL CLH 16 -3.179 2.873 -15.731 347 2HN ABA 17 HN ABA 17 1.588 10.211 -11.108 348 HA ABA 17 HA ABA 17 2.220 7.641 -12.010 349 1HB ABA 17 1HB ABA 17 4.915 8.464 -11.678 350 2HB ABA 17 2HB ABA 17 4.167 9.642 -12.757 351 1HG ABA 17 1HG ABA 17 4.977 6.939 -13.328 352 2HG ABA 17 2HG ABA 17 4.328 8.149 -14.436 353 3HG ABA 17 3HG ABA 17 3.233 7.081 -13.556 354 H GLN 18 H GLN 18 2.607 6.352 -10.221 355 HA GLN 18 HA GLN 18 4.158 6.910 -7.947 356 1HB GLN 18 2HB GLN 18 1.697 8.445 -8.145 357 2HB GLN 18 1HB GLN 18 1.704 7.458 -6.684 358 1HG GLN 18 2HG GLN 18 4.305 8.650 -7.080 359 2HG GLN 18 1HG GLN 18 3.058 9.898 -7.089 360 1HE2 GLN 18 1HE2 GLN 18 3.720 10.665 -4.940 361 2HE2 GLN 18 2HE2 GLN 18 3.368 9.764 -3.545 362 H THR 19 H THR 19 3.790 4.545 -9.105 363 HA THR 19 HA THR 19 1.626 3.063 -7.695 364 HB THR 19 HB THR 19 3.546 2.474 -9.959 365 HG1 THR 19 HG1 THR 19 1.439 3.711 -10.074 366 1HG2 THR 19 1HG2 THR 19 3.308 0.423 -8.656 367 2HG2 THR 19 2HG2 THR 19 2.381 0.282 -10.150 368 3HG2 THR 19 3HG2 THR 19 1.556 0.616 -8.628 369 H PHE 20 H PHE 20 2.169 1.119 -6.478 370 HA PHE 20 HA PHE 20 4.972 1.131 -5.401 371 1HB PHE 20 2HB PHE 20 2.426 0.236 -4.019 372 2HB PHE 20 1HB PHE 20 3.992 0.560 -3.275 373 HD1 PHE 20 HD1 PHE 20 4.932 2.952 -3.446 374 HD2 PHE 20 HD2 PHE 20 0.832 1.958 -4.254 375 HE1 PHE 20 HE1 PHE 20 4.294 5.327 -3.133 376 HE2 PHE 20 HE2 PHE 20 0.194 4.332 -3.939 377 HZ PHE 20 HZ PHE 20 1.924 6.018 -3.379 378 H VAL 21 H VAL 21 5.009 -0.406 -7.494 379 HA VAL 21 HA VAL 21 3.966 -3.121 -6.921 380 HB VAL 21 HB VAL 21 3.754 -2.145 -9.157 381 1HG1 VAL 21 1HG1 VAL 21 5.379 -0.813 -9.959 382 2HG1 VAL 21 2HG1 VAL 21 6.468 -2.199 -10.043 383 3HG1 VAL 21 3HG1 VAL 21 6.399 -1.220 -8.578 384 1HG2 VAL 21 1HG2 VAL 21 4.070 -4.559 -9.076 385 2HG2 VAL 21 2HG2 VAL 21 5.820 -4.361 -8.986 386 3HG2 VAL 21 3HG2 VAL 21 4.956 -3.921 -10.460 387 H TYR 22 H TYR 22 5.331 -4.912 -6.538 388 HA TYR 22 HA TYR 22 8.270 -4.459 -6.431 389 1HB TYR 22 2HB TYR 22 8.381 -5.057 -4.111 390 2HB TYR 22 1HB TYR 22 7.089 -3.864 -4.237 391 HD1 TYR 22 HD1 TYR 22 7.939 -7.294 -3.410 392 HD2 TYR 22 HD2 TYR 22 4.689 -4.638 -4.325 393 HE1 TYR 22 HE1 TYR 22 6.335 -8.931 -2.461 394 HE2 TYR 22 HE2 TYR 22 3.085 -6.274 -3.376 395 HH TYR 22 HH TYR 22 4.084 -9.497 -2.443 396 H GLY 23 H GLY 23 5.547 -6.726 -6.055 397 1HA GLY 23 2HA GLY 23 7.067 -9.138 -6.153 398 2HA GLY 23 1HA GLY 23 5.369 -9.000 -6.609 399 H GLY 24 H GLY 24 4.969 -9.502 -8.700 400 1HA GLY 24 2HA GLY 24 6.516 -8.444 -10.887 401 2HA GLY 24 1HA GLY 24 6.910 -10.143 -10.621 402 H CYS 25 H CYS 25 5.306 -11.730 -11.034 403 HA CYS 25 HA CYS 25 3.532 -11.322 -13.173 404 1HB CYS 25 2HB CYS 25 4.326 -13.497 -12.315 405 2HB CYS 25 1HB CYS 25 3.366 -13.274 -10.852 406 1HN NH2 26 1H CYS 25 1.408 -10.480 -13.296 407 2HN NH2 26 2H CYS 25 0.483 -10.001 -11.955 Start of MODEL 19 1 1HA MPT 1 1HA MPT 1 -8.308 -16.683 -9.551 2 2HA MPT 1 2HA MPT 1 -6.733 -17.482 -9.414 3 1HB MPT 1 1HB MPT 1 -8.520 -18.381 -7.873 4 2HB MPT 1 2HB MPT 1 -8.579 -16.802 -7.090 5 H LYS 2 H LYS 2 -5.573 -15.641 -10.153 6 HA LYS 2 HA LYS 2 -5.565 -13.319 -8.250 7 1HB LYS 2 2HB LYS 2 -3.357 -14.843 -9.652 8 2HB LYS 2 1HB LYS 2 -3.085 -13.267 -8.907 9 1HG LYS 2 2HG LYS 2 -3.402 -14.071 -6.758 10 2HG LYS 2 1HG LYS 2 -4.445 -15.390 -7.292 11 1HD LYS 2 2HD LYS 2 -2.373 -16.405 -6.651 12 2HD LYS 2 1HD LYS 2 -2.385 -16.393 -8.415 13 1HE LYS 2 2HE LYS 2 -1.136 -14.130 -8.223 14 2HE LYS 2 1HE LYS 2 -0.827 -14.605 -6.541 15 1HZ LYS 2 1HZ LYS 2 -0.002 -15.964 -9.025 16 2HZ LYS 2 2HZ LYS 2 -0.191 -16.854 -7.590 17 3HZ LYS 2 3HZ LYS 2 0.930 -15.579 -7.662 18 H ALA 3 H ALA 3 -7.246 -12.717 -10.126 19 HA ALA 3 HA ALA 3 -5.931 -11.778 -12.601 20 1HB ALA 3 1HB ALA 3 -8.085 -11.741 -13.420 21 2HB ALA 3 2HB ALA 3 -8.750 -11.102 -11.917 22 3HB ALA 3 3HB ALA 3 -8.366 -12.818 -12.051 23 H CLG 4 H CLG 4 -5.009 -10.545 -10.196 24 HA CLG 4 HA CLG 4 -5.010 -8.447 -9.001 25 1HB CLG 4 1HB CLG 4 -3.320 -8.480 -10.778 26 2HB CLG 4 2HB CLG 4 -3.976 -6.855 -10.599 27 1HG CLG 4 1HG CLG 4 -4.295 -6.961 -12.845 28 2HG CLG 4 2HG CLG 4 -5.694 -7.953 -12.443 29 1HD CLG 4 1HD CLG 4 -4.206 -9.975 -12.546 30 2HD CLG 4 2HD CLG 4 -2.901 -8.931 -13.109 31 1HE CLG 4 1HE CLG 4 -5.132 -8.316 -14.739 32 2HE CLG 4 2HE CLG 4 -5.066 -10.087 -14.637 33 HNZ CLG 4 HNZ CLG 4 -2.721 -9.954 -15.412 34 1HI CLG 4 1HI CLG 4 -1.267 -9.121 -16.818 35 2HI CLG 4 2HI CLG 4 -2.032 -8.061 -18.003 36 HNJ CLG 4 HNJ CLG 4 -0.099 -7.241 -15.947 37 1HL CLG 4 1HL CLG 4 -0.063 -4.654 -15.569 38 2HL CLG 4 2HL CLG 4 0.992 -5.078 -16.916 39 H ILE 5 H ILE 5 -7.491 -8.486 -8.661 40 HA ILE 5 HA ILE 5 -9.352 -7.183 -10.323 41 HB ILE 5 HB ILE 5 -9.844 -8.434 -8.245 42 1HG1 ILE 5 2HG1 ILE 5 -11.571 -6.926 -7.367 43 2HG1 ILE 5 1HG1 ILE 5 -10.763 -5.544 -8.105 44 1HG2 ILE 5 1HG2 ILE 5 -7.813 -6.999 -7.142 45 2HG2 ILE 5 2HG2 ILE 5 -9.042 -7.835 -6.191 46 3HG2 ILE 5 3HG2 ILE 5 -9.205 -6.110 -6.521 47 1HD1 ILE 5 1HD1 ILE 5 -11.678 -7.915 -9.738 48 2HD1 ILE 5 2HD1 ILE 5 -11.242 -6.304 -10.306 49 3HD1 ILE 5 3HD1 ILE 5 -12.739 -6.546 -9.406 50 H ILE 6 H ILE 6 -8.501 -5.299 -11.327 51 HA ILE 6 HA ILE 6 -7.110 -3.199 -9.938 52 HB ILE 6 HB ILE 6 -8.757 -3.171 -12.489 53 1HG1 ILE 6 2HG1 ILE 6 -5.836 -3.811 -11.972 54 2HG1 ILE 6 1HG1 ILE 6 -7.067 -4.935 -12.547 55 1HG2 ILE 6 1HG2 ILE 6 -8.131 -0.929 -11.562 56 2HG2 ILE 6 2HG2 ILE 6 -7.376 -1.270 -13.119 57 3HG2 ILE 6 3HG2 ILE 6 -6.437 -1.416 -11.632 58 1HD1 ILE 6 1HD1 ILE 6 -5.724 -2.688 -14.003 59 2HD1 ILE 6 2HD1 ILE 6 -7.377 -3.116 -14.447 60 3HD1 ILE 6 3HD1 ILE 6 -6.094 -4.319 -14.561 61 H ARG 7 H ARG 7 -8.086 -2.066 -8.294 62 HA ARG 7 HA ARG 7 -10.890 -1.098 -8.750 63 1HB ARG 7 2HB ARG 7 -9.551 -1.986 -6.173 64 2HB ARG 7 1HB ARG 7 -11.216 -1.427 -6.324 65 1HG ARG 7 2HG ARG 7 -11.624 -3.300 -7.953 66 2HG ARG 7 1HG ARG 7 -10.009 -3.905 -7.583 67 1HD ARG 7 2HD ARG 7 -12.373 -3.665 -5.699 68 2HD ARG 7 1HD ARG 7 -11.452 -5.122 -6.120 69 HE ARG 7 HE ARG 7 -10.548 -2.980 -4.296 70 1HH1 ARG 7 1HH1 ARG 7 -8.257 -3.570 -6.070 71 2HH1 ARG 7 2HH1 ARG 7 -7.493 -4.909 -5.282 72 1HH2 ARG 7 1HH2 ARG 7 -10.249 -5.662 -3.315 73 2HH2 ARG 7 2HH2 ARG 7 -8.621 -6.094 -3.721 74 H TYR 8 H TYR 8 -10.839 1.107 -8.930 75 HA TYR 8 HA TYR 8 -8.804 2.605 -7.311 76 1HB TYR 8 2HB TYR 8 -8.862 4.225 -9.214 77 2HB TYR 8 1HB TYR 8 -8.333 2.619 -9.713 78 HD1 TYR 8 HD1 TYR 8 -11.254 4.921 -9.615 79 HD2 TYR 8 HD2 TYR 8 -9.587 1.329 -11.277 80 HE1 TYR 8 HE1 TYR 8 -13.114 4.816 -11.252 81 HE2 TYR 8 HE2 TYR 8 -11.447 1.223 -12.914 82 HH TYR 8 HH TYR 8 -13.842 2.086 -13.032 83 H PHE 9 H PHE 9 -9.534 4.830 -6.719 84 HA PHE 9 HA PHE 9 -12.521 5.030 -6.492 85 1HB PHE 9 2HB PHE 9 -10.544 5.999 -4.422 86 2HB PHE 9 1HB PHE 9 -12.258 5.645 -4.213 87 HD1 PHE 9 HD1 PHE 9 -12.796 3.083 -5.174 88 HD2 PHE 9 HD2 PHE 9 -9.151 4.465 -3.370 89 HE1 PHE 9 HE1 PHE 9 -12.235 0.755 -4.528 90 HE2 PHE 9 HE2 PHE 9 -8.589 2.136 -2.723 91 HZ PHE 9 HZ PHE 9 -10.132 0.282 -3.302 92 H TYR 10 H TYR 10 -12.583 7.557 -5.287 93 HA TYR 10 HA TYR 10 -11.190 9.301 -7.291 94 1HB TYR 10 2HB TYR 10 -13.621 8.861 -7.749 95 2HB TYR 10 1HB TYR 10 -14.003 9.600 -6.193 96 HD1 TYR 10 HD1 TYR 10 -12.019 10.316 -9.301 97 HD2 TYR 10 HD2 TYR 10 -14.456 11.886 -6.131 98 HE1 TYR 10 HE1 TYR 10 -11.925 12.565 -10.342 99 HE2 TYR 10 HE2 TYR 10 -14.364 14.134 -7.172 100 HH TYR 10 HH TYR 10 -12.914 15.387 -8.709 101 H ASN 11 H ASN 11 -10.213 11.094 -6.417 102 HA ASN 11 HA ASN 11 -10.951 11.967 -3.667 103 1HB ASN 11 2HB ASN 11 -8.127 12.087 -3.818 104 2HB ASN 11 1HB ASN 11 -9.087 11.014 -2.809 105 1HD2 ASN 11 1HD2 ASN 11 -8.366 11.109 -6.358 106 2HD2 ASN 11 2HD2 ASN 11 -7.881 9.486 -6.444 107 H ALA 12 H ALA 12 -11.480 14.073 -4.033 108 HA ALA 12 HA ALA 12 -10.137 15.614 -6.165 109 1HB ALA 12 1HB ALA 12 -12.437 16.075 -4.254 110 2HB ALA 12 2HB ALA 12 -12.519 15.788 -5.992 111 3HB ALA 12 3HB ALA 12 -11.879 17.313 -5.380 112 H LYS 13 H LYS 13 -9.581 15.033 -2.869 113 HA LYS 13 HA LYS 13 -8.944 17.364 -1.560 114 1HB LYS 13 2HB LYS 13 -7.222 14.885 -1.922 115 2HB LYS 13 1HB LYS 13 -6.997 16.073 -0.638 116 1HG LYS 13 2HG LYS 13 -8.773 15.305 0.552 117 2HG LYS 13 1HG LYS 13 -9.761 15.083 -0.893 118 1HD LYS 13 2HD LYS 13 -9.153 12.904 -1.126 119 2HD LYS 13 1HD LYS 13 -7.477 13.227 -0.676 120 1HE LYS 13 2HE LYS 13 -8.143 13.367 1.709 121 2HE LYS 13 1HE LYS 13 -9.819 13.005 1.251 122 1HZ LYS 13 1HZ LYS 13 -9.057 10.964 0.203 123 2HZ LYS 13 2HZ LYS 13 -8.623 10.980 1.846 124 3HZ LYS 13 3HZ LYS 13 -7.458 11.301 0.653 125 H ASP 14 H ASP 14 -6.834 15.764 -3.927 126 HA ASP 14 HA ASP 14 -5.715 18.439 -4.656 127 1HB ASP 14 2HB ASP 14 -3.963 16.023 -4.826 128 2HB ASP 14 1HB ASP 14 -3.543 17.677 -4.403 129 H GLY 15 H GLY 15 -7.660 16.067 -5.611 130 1HA GLY 15 2HA GLY 15 -8.389 15.335 -7.715 131 2HA GLY 15 1HA GLY 15 -7.349 16.572 -8.423 132 H LEU 16 H LEU 16 -7.249 13.290 -7.007 133 HA LEU 16 HA LEU 16 -5.219 12.587 -9.042 134 1HB LEU 16 2HB LEU 16 -3.834 11.564 -7.083 135 2HB LEU 16 1HB LEU 16 -3.724 13.291 -7.386 136 HG LEU 16 HG LEU 16 -3.982 12.617 -4.953 137 1HD1 LEU 16 1HD1 LEU 16 -6.359 14.276 -5.619 138 2HD1 LEU 16 2HD1 LEU 16 -4.792 14.840 -6.199 139 3HD1 LEU 16 3HD1 LEU 16 -5.054 14.579 -4.474 140 1HD2 LEU 16 1HD2 LEU 16 -5.595 10.821 -5.177 141 2HD2 LEU 16 2HD2 LEU 16 -6.768 11.914 -5.907 142 3HD2 LEU 16 3HD2 LEU 16 -6.315 12.112 -4.219 143 2HN ABA 17 HN ABA 17 -7.393 11.402 -9.541 144 HA ABA 17 HA ABA 17 -8.625 9.376 -8.156 145 1HB ABA 17 1HB ABA 17 -7.871 8.357 -10.742 146 2HB ABA 17 2HB ABA 17 -8.134 10.097 -10.866 147 1HG ABA 17 1HG ABA 17 -10.156 8.368 -11.072 148 2HG ABA 17 2HG ABA 17 -10.369 9.934 -10.289 149 3HG ABA 17 3HG ABA 17 -10.118 8.486 -9.313 150 H GLN 18 H GLN 18 -7.821 7.688 -6.958 151 HA GLN 18 HA GLN 18 -5.064 6.712 -7.532 152 1HB GLN 18 2HB GLN 18 -5.472 7.477 -5.291 153 2HB GLN 18 1HB GLN 18 -6.964 6.541 -5.181 154 1HG GLN 18 2HG GLN 18 -5.674 4.449 -5.349 155 2HG GLN 18 1HG GLN 18 -4.179 5.377 -5.471 156 1HE2 GLN 18 1HE2 GLN 18 -6.897 6.246 -3.333 157 2HE2 GLN 18 2HE2 GLN 18 -6.056 5.982 -1.883 158 H THR 19 H THR 19 -4.654 4.563 -8.015 159 HA THR 19 HA THR 19 -7.026 2.750 -8.337 160 HB THR 19 HB THR 19 -4.569 3.275 -10.021 161 HG1 THR 19 HG1 THR 19 -5.996 4.078 -11.337 162 1HG2 THR 19 1HG2 THR 19 -4.491 1.096 -10.569 163 2HG2 THR 19 2HG2 THR 19 -6.108 1.268 -11.252 164 3HG2 THR 19 3HG2 THR 19 -5.909 0.750 -9.578 165 H PHE 20 H PHE 20 -6.644 1.757 -6.262 166 HA PHE 20 HA PHE 20 -3.980 0.622 -5.685 167 1HB PHE 20 2HB PHE 20 -5.076 1.585 -3.834 168 2HB PHE 20 1HB PHE 20 -6.636 0.903 -4.288 169 HD1 PHE 20 HD1 PHE 20 -7.350 -0.628 -2.683 170 HD2 PHE 20 HD2 PHE 20 -3.212 -0.577 -3.834 171 HE1 PHE 20 HE1 PHE 20 -6.921 -2.587 -1.224 172 HE2 PHE 20 HE2 PHE 20 -2.783 -2.537 -2.375 173 HZ PHE 20 HZ PHE 20 -4.636 -3.541 -1.070 174 H VAL 21 H VAL 21 -3.437 -1.472 -6.117 175 HA VAL 21 HA VAL 21 -5.591 -3.331 -7.049 176 HB VAL 21 HB VAL 21 -2.592 -3.589 -7.383 177 1HG1 VAL 21 1HG1 VAL 21 -4.905 -4.549 -9.091 178 2HG1 VAL 21 2HG1 VAL 21 -4.101 -5.541 -7.874 179 3HG1 VAL 21 3HG1 VAL 21 -3.204 -4.971 -9.281 180 1HG2 VAL 21 1HG2 VAL 21 -3.200 -2.584 -9.728 181 2HG2 VAL 21 2HG2 VAL 21 -2.944 -1.489 -8.369 182 3HG2 VAL 21 3HG2 VAL 21 -4.583 -1.895 -8.877 183 H TYR 22 H TYR 22 -5.346 -5.639 -6.309 184 HA TYR 22 HA TYR 22 -3.685 -6.019 -3.877 185 1HB TYR 22 2HB TYR 22 -5.828 -4.953 -3.206 186 2HB TYR 22 1HB TYR 22 -6.703 -6.297 -3.939 187 HD1 TYR 22 HD1 TYR 22 -4.136 -5.488 -1.338 188 HD2 TYR 22 HD2 TYR 22 -7.070 -8.297 -2.741 189 HE1 TYR 22 HE1 TYR 22 -3.876 -6.805 0.747 190 HE2 TYR 22 HE2 TYR 22 -6.807 -9.612 -0.656 191 HH TYR 22 HH TYR 22 -6.004 -9.488 1.502 192 H GLY 23 H GLY 23 -2.677 -7.660 -5.351 193 1HA GLY 23 2HA GLY 23 -4.284 -9.879 -6.322 194 2HA GLY 23 1HA GLY 23 -2.519 -9.814 -6.306 195 H GLY 24 H GLY 24 -3.150 -12.183 -5.563 196 1HA GLY 24 2HA GLY 24 -2.182 -13.019 -3.276 197 2HA GLY 24 1HA GLY 24 -3.612 -12.222 -2.619 198 H CYS 25 H CYS 25 -3.016 -15.057 -2.452 199 HA CYS 25 HA CYS 25 -5.528 -16.222 -2.969 200 1HB CYS 25 2HB CYS 25 -3.885 -15.777 -5.310 201 2HB CYS 25 1HB CYS 25 -4.174 -17.504 -5.094 202 1HN NH2 26 1H CYS 25 -4.954 -17.405 -1.024 203 2HN NH2 26 2H CYS 25 -3.767 -18.617 -1.011 204 1HA MPT 1 1HA MPT 1 4.930 -12.712 -12.475 205 2HA MPT 1 2HA MPT 1 5.933 -11.356 -13.010 206 1HB MPT 1 1HB MPT 1 5.725 -12.690 -10.307 207 2HB MPT 1 2HB MPT 1 6.290 -11.024 -10.425 208 H LYS 2 H LYS 2 5.447 -9.270 -11.632 209 HA LYS 2 HA LYS 2 3.872 -7.660 -10.884 210 1HB LYS 2 2HB LYS 2 3.205 -8.875 -13.436 211 2HB LYS 2 1HB LYS 2 1.751 -8.288 -12.627 212 1HG LYS 2 2HG LYS 2 2.790 -6.081 -12.322 213 2HG LYS 2 1HG LYS 2 4.268 -6.660 -13.093 214 1HD LYS 2 2HD LYS 2 1.724 -7.020 -14.603 215 2HD LYS 2 1HD LYS 2 2.356 -5.378 -14.473 216 1HE LYS 2 2HE LYS 2 3.992 -5.820 -15.979 217 2HE LYS 2 1HE LYS 2 4.477 -7.284 -15.100 218 1HZ LYS 2 1HZ LYS 2 2.721 -8.509 -16.093 219 2HZ LYS 2 2HZ LYS 2 3.517 -7.700 -17.357 220 3HZ LYS 2 3HZ LYS 2 2.032 -7.117 -16.775 221 H ALA 3 H ALA 3 3.782 -9.971 -9.253 222 HA ALA 3 HA ALA 3 0.848 -10.411 -8.809 223 1HB ALA 3 1HB ALA 3 3.146 -11.995 -7.659 224 2HB ALA 3 2HB ALA 3 2.547 -12.304 -9.288 225 3HB ALA 3 3HB ALA 3 1.477 -12.510 -7.901 226 H ARG 4 H ARG 4 1.383 -11.414 -6.134 227 HA ARG 4 HA ARG 4 1.489 -10.628 -3.917 228 1HB ARG 4 2HB ARG 4 3.481 -8.940 -5.369 229 2HB ARG 4 1HB ARG 4 3.253 -8.796 -3.633 230 1HG ARG 4 2HG ARG 4 5.053 -10.373 -4.033 231 2HG ARG 4 1HG ARG 4 3.651 -11.269 -3.448 232 1HD ARG 4 2HD ARG 4 3.129 -12.089 -5.627 233 2HD ARG 4 1HD ARG 4 4.211 -10.917 -6.407 234 HE ARG 4 HE ARG 4 6.052 -12.144 -5.004 235 1HH1 ARG 4 1HH2 ARG 4 5.464 -13.411 -7.639 236 2HH1 ARG 4 2HH2 ARG 4 5.144 -15.054 -7.198 237 1HH2 ARG 4 1HH1 ARG 4 4.659 -14.338 -3.841 238 2HH2 ARG 4 2HH1 ARG 4 4.688 -15.579 -5.047 239 H ILE 5 H ILE 5 2.248 -7.351 -4.242 240 HA ILE 5 HA ILE 5 -0.556 -6.503 -4.711 241 HB ILE 5 HB ILE 5 0.950 -6.228 -2.098 242 1HG1 ILE 5 2HG1 ILE 5 -0.217 -8.360 -2.405 243 2HG1 ILE 5 1HG1 ILE 5 -1.080 -7.382 -1.217 244 1HG2 ILE 5 1HG2 ILE 5 -0.716 -4.742 -1.316 245 2HG2 ILE 5 2HG2 ILE 5 -1.800 -5.116 -2.657 246 3HG2 ILE 5 3HG2 ILE 5 -0.352 -4.146 -2.936 247 1HD1 ILE 5 1HD1 ILE 5 -2.928 -7.365 -2.501 248 2HD1 ILE 5 2HD1 ILE 5 -2.130 -8.490 -3.592 249 3HD1 ILE 5 3HD1 ILE 5 -2.017 -6.757 -3.875 250 H ILE 6 H ILE 6 -0.529 -4.655 -5.856 251 HA ILE 6 HA ILE 6 1.829 -2.823 -5.567 252 HB ILE 6 HB ILE 6 1.746 -4.202 -7.660 253 1HG1 ILE 6 2HG1 ILE 6 1.263 -1.227 -8.021 254 2HG1 ILE 6 1HG1 ILE 6 2.819 -1.985 -7.681 255 1HG2 ILE 6 1HG2 ILE 6 -0.758 -4.298 -7.746 256 2HG2 ILE 6 2HG2 ILE 6 -0.027 -3.813 -9.276 257 3HG2 ILE 6 3HG2 ILE 6 -0.766 -2.602 -8.228 258 1HD1 ILE 6 1HD1 ILE 6 2.626 -1.536 -10.081 259 2HD1 ILE 6 2HD1 ILE 6 1.112 -2.438 -10.147 260 3HD1 ILE 6 3HD1 ILE 6 2.624 -3.276 -9.799 261 H ARG 7 H ARG 7 1.277 -0.753 -5.053 262 HA ARG 7 HA ARG 7 -1.605 0.020 -5.123 263 1HB ARG 7 2HB ARG 7 0.443 0.181 -3.230 264 2HB ARG 7 1HB ARG 7 0.295 1.832 -3.835 265 1HG ARG 7 2HG ARG 7 -1.398 1.979 -2.317 266 2HG ARG 7 1HG ARG 7 -2.333 1.147 -3.559 267 1HD ARG 7 2HD ARG 7 -2.576 -0.015 -1.392 268 2HD ARG 7 1HD ARG 7 -1.678 -1.042 -2.529 269 HE ARG 7 HE ARG 7 -0.072 0.764 -0.818 270 1HH1 ARG 7 1HH1 ARG 7 -1.499 -1.561 0.638 271 2HH1 ARG 7 2HH1 ARG 7 -0.238 -2.748 0.642 272 1HH2 ARG 7 1HH2 ARG 7 1.666 -1.117 -1.755 273 2HH2 ARG 7 2HH2 ARG 7 1.554 -2.496 -0.713 274 H TYR 8 H TYR 8 -2.252 1.443 -6.698 275 HA TYR 8 HA TYR 8 -0.145 2.984 -8.166 276 1HB TYR 8 2HB TYR 8 -2.209 1.283 -8.973 277 2HB TYR 8 1HB TYR 8 -2.833 2.898 -9.310 278 HD1 TYR 8 HD1 TYR 8 -0.075 0.521 -9.991 279 HD2 TYR 8 HD2 TYR 8 -1.841 4.306 -10.998 280 HE1 TYR 8 HE1 TYR 8 1.382 0.669 -11.992 281 HE2 TYR 8 HE2 TYR 8 -0.384 4.453 -12.999 282 HH TYR 8 HH TYR 8 2.310 2.503 -13.457 283 H PHE 9 H PHE 9 -0.299 5.240 -8.237 284 HA PHE 9 HA PHE 9 -2.774 6.553 -7.248 285 1HB PHE 9 2HB PHE 9 -1.179 5.962 -5.340 286 2HB PHE 9 1HB PHE 9 -0.051 7.117 -6.049 287 HD1 PHE 9 HD1 PHE 9 -3.324 6.713 -4.390 288 HD2 PHE 9 HD2 PHE 9 -0.491 9.510 -6.005 289 HE1 PHE 9 HE1 PHE 9 -4.532 8.575 -3.285 290 HE2 PHE 9 HE2 PHE 9 -1.700 11.371 -4.899 291 HZ PHE 9 HZ PHE 9 -3.720 10.904 -3.539 292 H TYR 10 H TYR 10 -2.156 6.792 -9.837 293 HA TYR 10 HA TYR 10 -0.180 8.704 -10.597 294 1HB TYR 10 2HB TYR 10 -1.169 8.467 -12.680 295 2HB TYR 10 1HB TYR 10 -1.838 7.047 -11.882 296 HD1 TYR 10 HD1 TYR 10 -4.184 6.867 -11.421 297 HD2 TYR 10 HD2 TYR 10 -2.535 10.563 -12.858 298 HE1 TYR 10 HE1 TYR 10 -6.471 7.741 -11.806 299 HE2 TYR 10 HE2 TYR 10 -4.821 11.439 -13.239 300 HH TYR 10 HH TYR 10 -7.076 10.582 -13.608 301 H ASN 11 H ASN 11 -1.112 10.908 -11.699 302 HA ASN 11 HA ASN 11 -3.254 12.204 -10.184 303 1HB ASN 11 2HB ASN 11 -1.848 13.675 -8.898 304 2HB ASN 11 1HB ASN 11 -1.236 12.041 -8.641 305 1HD2 ASN 11 1HD2 ASN 11 0.126 14.848 -8.729 306 2HD2 ASN 11 2HD2 ASN 11 1.448 14.605 -9.764 307 H ALA 12 H ALA 12 -0.349 12.687 -12.205 308 HA ALA 12 HA ALA 12 -1.299 15.204 -13.318 309 1HB ALA 12 1HB ALA 12 0.787 13.299 -14.410 310 2HB ALA 12 2HB ALA 12 1.094 14.359 -13.036 311 3HB ALA 12 3HB ALA 12 0.719 15.049 -14.615 312 H LYS 13 H LYS 13 -2.034 15.517 -15.513 313 HA LYS 13 HA LYS 13 -4.047 13.887 -16.506 314 1HB LYS 13 2HB LYS 13 -3.408 14.992 -18.733 315 2HB LYS 13 1HB LYS 13 -3.673 16.087 -17.375 316 1HG LYS 13 2HG LYS 13 -0.933 15.221 -17.353 317 2HG LYS 13 1HG LYS 13 -1.330 15.833 -18.959 318 1HD LYS 13 2HD LYS 13 -1.384 17.958 -18.213 319 2HD LYS 13 1HD LYS 13 -2.477 17.524 -16.898 320 1HE LYS 13 2HE LYS 13 -0.243 16.464 -15.875 321 2HE LYS 13 1HE LYS 13 0.507 17.713 -16.890 322 1HZ LYS 13 1HZ LYS 13 -1.721 18.163 -14.974 323 2HZ LYS 13 2HZ LYS 13 -0.984 19.349 -15.941 324 3HZ LYS 13 3HZ LYS 13 -0.102 18.591 -14.704 325 H ASP 14 H ASP 14 -0.574 13.452 -16.852 326 HA ASP 14 HA ASP 14 -0.340 11.722 -19.030 327 1HB ASP 14 2HB ASP 14 0.965 11.929 -16.325 328 2HB ASP 14 1HB ASP 14 1.454 10.648 -17.435 329 H GLY 15 H GLY 15 -1.150 10.799 -15.661 330 1HA GLY 15 2HA GLY 15 -2.917 9.141 -15.240 331 2HA GLY 15 1HA GLY 15 -2.490 8.372 -16.769 332 H CLH 16 H CLH 16 0.035 9.482 -14.627 333 HA CLH 16 HA CLH 16 0.380 6.876 -13.317 334 1HB CLH 16 1HB CLH 16 2.742 7.499 -14.933 335 2HB CLH 16 2HB CLH 16 1.307 7.214 -15.918 336 1HG CLH 16 1HG CLH 16 1.413 5.274 -13.787 337 2HG CLH 16 2HG CLH 16 2.949 5.277 -14.655 338 1HD CLH 16 1HD CLH 16 0.675 5.458 -16.474 339 2HD CLH 16 2HD CLH 16 0.595 4.011 -15.469 340 1HE CLH 16 1HE CLH 16 3.151 4.807 -16.887 341 2HE CLH 16 2HE CLH 16 1.919 3.799 -17.672 342 HNZ CLH 16 HNZ CLH 16 3.333 3.087 -15.124 343 1HI CLH 16 1HI CLH 16 4.052 0.417 -15.665 344 2HI CLH 16 2HI CLH 16 2.874 0.818 -14.415 345 HNJ CLH 16 HNJ CLH 16 2.627 -1.333 -16.377 346 HL CLH 16 HL CLH 16 -0.058 -2.595 -14.953 347 2HN ABA 17 HN ABA 17 1.064 7.524 -11.318 348 HA ABA 17 HA ABA 17 3.284 9.493 -11.151 349 1HB ABA 17 1HB ABA 17 0.930 9.651 -9.290 350 2HB ABA 17 2HB ABA 17 0.873 10.444 -10.865 351 1HG ABA 17 1HG ABA 17 2.622 11.911 -10.328 352 2HG ABA 17 2HG ABA 17 3.239 10.862 -9.051 353 3HG ABA 17 3HG ABA 17 1.759 11.785 -8.796 354 H GLN 18 H GLN 18 2.515 9.385 -8.108 355 HA GLN 18 HA GLN 18 4.457 7.677 -7.132 356 1HB GLN 18 2HB GLN 18 2.102 9.034 -6.199 357 2HB GLN 18 1HB GLN 18 2.176 7.445 -5.436 358 1HG GLN 18 2HG GLN 18 4.714 9.005 -5.579 359 2HG GLN 18 1HG GLN 18 3.491 9.556 -4.433 360 1HE2 GLN 18 1HE2 GLN 18 5.044 6.454 -5.453 361 2HE2 GLN 18 2HE2 GLN 18 5.107 5.805 -3.886 362 H THR 19 H THR 19 4.661 5.672 -8.219 363 HA THR 19 HA THR 19 2.327 3.800 -7.974 364 HB THR 19 HB THR 19 4.014 2.759 -9.885 365 HG1 THR 19 HG1 THR 19 3.933 5.469 -10.527 366 1HG2 THR 19 1HG2 THR 19 1.777 4.775 -10.231 367 2HG2 THR 19 2HG2 THR 19 1.598 3.024 -10.118 368 3HG2 THR 19 3HG2 THR 19 2.405 3.739 -11.513 369 H PHE 20 H PHE 20 2.697 1.865 -6.914 370 HA PHE 20 HA PHE 20 5.401 1.461 -5.719 371 1HB PHE 20 2HB PHE 20 2.599 0.501 -5.118 372 2HB PHE 20 1HB PHE 20 4.010 -0.142 -4.280 373 HD1 PHE 20 HD1 PHE 20 2.629 3.204 -5.295 374 HD2 PHE 20 HD2 PHE 20 4.563 0.862 -2.257 375 HE1 PHE 20 HE1 PHE 20 2.609 5.162 -3.772 376 HE2 PHE 20 HE2 PHE 20 4.542 2.819 -0.735 377 HZ PHE 20 HZ PHE 20 3.566 4.970 -1.492 378 H VAL 21 H VAL 21 5.132 -1.312 -5.217 379 HA VAL 21 HA VAL 21 5.227 -2.435 -8.001 380 HB VAL 21 HB VAL 21 7.416 -2.192 -6.902 381 1HG1 VAL 21 1HG1 VAL 21 7.842 -3.557 -4.828 382 2HG1 VAL 21 2HG1 VAL 21 6.106 -3.852 -4.730 383 3HG1 VAL 21 3HG1 VAL 21 6.732 -2.210 -4.578 384 1HG2 VAL 21 1HG2 VAL 21 6.571 -4.365 -8.212 385 2HG2 VAL 21 2HG2 VAL 21 6.870 -5.121 -6.647 386 3HG2 VAL 21 3HG2 VAL 21 8.179 -4.294 -7.491 387 H TYR 22 H TYR 22 4.658 -4.759 -8.128 388 HA TYR 22 HA TYR 22 2.390 -5.443 -6.421 389 1HB TYR 22 2HB TYR 22 3.222 -5.851 -9.069 390 2HB TYR 22 1HB TYR 22 3.327 -7.446 -8.335 391 HD1 TYR 22 HD1 TYR 22 1.055 -6.694 -6.242 392 HD2 TYR 22 HD2 TYR 22 1.334 -6.567 -10.501 393 HE1 TYR 22 HE1 TYR 22 -1.397 -6.916 -6.401 394 HE2 TYR 22 HE2 TYR 22 -1.123 -6.796 -10.678 395 HH TYR 22 HH TYR 22 -3.100 -7.464 -7.858 396 H GLY 23 H GLY 23 5.005 -7.590 -7.559 397 1HA GLY 23 2HA GLY 23 5.264 -8.576 -4.746 398 2HA GLY 23 1HA GLY 23 5.525 -9.591 -6.166 399 H GLY 24 H GLY 24 7.639 -9.915 -6.636 400 1HA GLY 24 2HA GLY 24 9.612 -7.994 -7.039 401 2HA GLY 24 1HA GLY 24 9.729 -8.395 -5.325 402 H CYS 25 H CYS 25 8.810 -10.636 -7.909 403 HA CYS 25 HA CYS 25 10.501 -12.739 -7.025 404 1HB CYS 25 2HB CYS 25 10.044 -13.590 -9.376 405 2HB CYS 25 1HB CYS 25 8.607 -13.113 -8.473 406 1HN NH2 26 1H CYS 25 12.742 -13.000 -7.258 407 2HN NH2 26 2H CYS 25 13.718 -12.140 -8.348 Start of MODEL 20 1 1HA MPT 1 1HA MPT 1 -12.465 -13.505 -13.248 2 2HA MPT 1 2HA MPT 1 -11.308 -14.816 -13.521 3 1HB MPT 1 1HB MPT 1 -11.124 -12.352 -11.827 4 2HB MPT 1 2HB MPT 1 -9.641 -12.911 -12.598 5 H LYS 2 H LYS 2 -10.360 -11.441 -13.780 6 HA LYS 2 HA LYS 2 -10.114 -11.780 -16.737 7 1HB LYS 2 2HB LYS 2 -10.811 -9.380 -15.034 8 2HB LYS 2 1HB LYS 2 -10.560 -9.323 -16.781 9 1HG LYS 2 2HG LYS 2 -12.348 -11.276 -16.776 10 2HG LYS 2 1HG LYS 2 -12.802 -10.562 -15.228 11 1HD LYS 2 2HD LYS 2 -12.634 -9.097 -17.879 12 2HD LYS 2 1HD LYS 2 -14.118 -9.556 -17.043 13 1HE LYS 2 2HE LYS 2 -14.023 -7.633 -15.854 14 2HE LYS 2 1HE LYS 2 -12.456 -8.132 -15.187 15 1HZ LYS 2 1HZ LYS 2 -12.604 -7.156 -17.956 16 2HZ LYS 2 2HZ LYS 2 -11.301 -7.106 -16.867 17 3HZ LYS 2 3HZ LYS 2 -12.603 -6.028 -16.691 18 H ALA 3 H ALA 3 -8.934 -8.922 -15.948 19 HA ALA 3 HA ALA 3 -6.128 -9.911 -15.841 20 1HB ALA 3 1HB ALA 3 -6.930 -7.059 -16.309 21 2HB ALA 3 2HB ALA 3 -7.263 -8.247 -17.569 22 3HB ALA 3 3HB ALA 3 -5.606 -7.976 -17.029 23 H CLG 4 H CLG 4 -7.117 -10.215 -13.379 24 HA CLG 4 HA CLG 4 -6.664 -9.609 -11.143 25 1HB CLG 4 1HB CLG 4 -4.678 -8.492 -12.760 26 2HB CLG 4 2HB CLG 4 -4.630 -8.613 -11.006 27 1HG CLG 4 1HG CLG 4 -5.326 -6.390 -10.703 28 2HG CLG 4 2HG CLG 4 -6.012 -6.284 -12.324 29 1HD CLG 4 1HD CLG 4 -3.729 -6.418 -13.281 30 2HD CLG 4 2HD CLG 4 -3.060 -6.481 -11.650 31 1HE CLG 4 1HE CLG 4 -3.267 -4.228 -11.394 32 2HE CLG 4 2HE CLG 4 -4.922 -4.237 -12.036 33 HNZ CLG 4 HNZ CLG 4 -2.909 -4.751 -14.087 34 1HI CLG 4 1HI CLG 4 -1.969 -2.254 -15.156 35 2HI CLG 4 2HI CLG 4 -3.149 -3.296 -15.954 36 HNJ CLG 4 HNJ CLG 4 -4.720 -1.311 -15.867 37 1HL CLG 4 1HL CLG 4 -4.407 0.749 -17.447 38 2HL CLG 4 2HL CLG 4 -4.619 1.296 -15.784 39 H ILE 5 H ILE 5 -7.887 -8.428 -9.659 40 HA ILE 5 HA ILE 5 -10.032 -6.762 -10.630 41 HB ILE 5 HB ILE 5 -10.487 -6.525 -8.211 42 1HG1 ILE 5 2HG1 ILE 5 -8.109 -8.152 -7.482 43 2HG1 ILE 5 1HG1 ILE 5 -7.795 -6.468 -7.900 44 1HG2 ILE 5 1HG2 ILE 5 -9.453 -9.312 -8.789 45 2HG2 ILE 5 2HG2 ILE 5 -10.954 -8.682 -9.464 46 3HG2 ILE 5 3HG2 ILE 5 -10.780 -8.860 -7.718 47 1HD1 ILE 5 1HD1 ILE 5 -9.983 -7.231 -5.966 48 2HD1 ILE 5 2HD1 ILE 5 -9.211 -5.659 -6.181 49 3HD1 ILE 5 3HD1 ILE 5 -8.322 -6.983 -5.428 50 H ILE 6 H ILE 6 -10.350 -4.494 -9.528 51 HA ILE 6 HA ILE 6 -7.790 -2.996 -9.272 52 HB ILE 6 HB ILE 6 -9.970 -2.584 -11.331 53 1HG1 ILE 6 2HG1 ILE 6 -7.497 -2.337 -12.530 54 2HG1 ILE 6 1HG1 ILE 6 -7.194 -3.561 -11.296 55 1HG2 ILE 6 1HG2 ILE 6 -9.642 -0.365 -10.848 56 2HG2 ILE 6 2HG2 ILE 6 -8.218 -0.598 -11.860 57 3HG2 ILE 6 3HG2 ILE 6 -8.069 -0.652 -10.104 58 1HD1 ILE 6 1HD1 ILE 6 -8.005 -4.453 -13.538 59 2HD1 ILE 6 2HD1 ILE 6 -9.555 -3.690 -13.184 60 3HD1 ILE 6 3HD1 ILE 6 -8.942 -4.969 -12.136 61 H ARG 7 H ARG 7 -8.329 -2.470 -7.101 62 HA ARG 7 HA ARG 7 -10.948 -1.183 -6.552 63 1HB ARG 7 2HB ARG 7 -8.592 -1.928 -4.784 64 2HB ARG 7 1HB ARG 7 -10.174 -1.398 -4.211 65 1HG ARG 7 2HG ARG 7 -10.022 -3.728 -6.093 66 2HG ARG 7 1HG ARG 7 -9.626 -3.978 -4.392 67 1HD ARG 7 2HD ARG 7 -11.973 -2.425 -4.361 68 2HD ARG 7 1HD ARG 7 -12.240 -3.659 -5.609 69 HE ARG 7 HE ARG 7 -11.759 -4.181 -2.744 70 1HH1 ARG 7 1HH2 ARG 7 -13.883 -5.493 -4.460 71 2HH1 ARG 7 2HH2 ARG 7 -13.217 -7.077 -4.681 72 1HH2 ARG 7 1HH1 ARG 7 -10.025 -6.165 -3.681 73 2HH2 ARG 7 2HH1 ARG 7 -11.033 -7.458 -4.240 74 H TYR 8 H TYR 8 -11.072 1.022 -6.772 75 HA TYR 8 HA TYR 8 -8.861 2.718 -5.788 76 1HB TYR 8 2HB TYR 8 -8.530 3.778 -7.963 77 2HB TYR 8 1HB TYR 8 -8.308 2.037 -8.138 78 HD1 TYR 8 HD1 TYR 8 -10.165 4.916 -9.233 79 HD2 TYR 8 HD2 TYR 8 -10.316 0.635 -8.912 80 HE1 TYR 8 HE1 TYR 8 -11.972 4.853 -10.930 81 HE2 TYR 8 HE2 TYR 8 -12.123 0.571 -10.609 82 HH TYR 8 HH TYR 8 -13.425 3.577 -12.019 83 H PHE 9 H PHE 9 -9.523 5.131 -6.278 84 HA PHE 9 HA PHE 9 -12.498 5.443 -6.129 85 1HB PHE 9 2HB PHE 9 -10.497 6.920 -4.400 86 2HB PHE 9 1HB PHE 9 -12.245 6.827 -4.187 87 HD1 PHE 9 HD1 PHE 9 -13.262 4.468 -3.798 88 HD2 PHE 9 HD2 PHE 9 -9.093 5.385 -3.309 89 HE1 PHE 9 HE1 PHE 9 -12.983 2.447 -2.387 90 HE2 PHE 9 HE2 PHE 9 -8.815 3.364 -1.898 91 HZ PHE 9 HZ PHE 9 -10.759 1.895 -1.437 92 H TYR 10 H TYR 10 -12.966 7.961 -6.286 93 HA TYR 10 HA TYR 10 -11.067 9.161 -8.275 94 1HB TYR 10 2HB TYR 10 -13.402 8.081 -8.951 95 2HB TYR 10 1HB TYR 10 -14.022 9.635 -8.394 96 HD1 TYR 10 HD1 TYR 10 -10.811 8.768 -10.112 97 HD2 TYR 10 HD2 TYR 10 -14.545 10.881 -10.315 98 HE1 TYR 10 HE1 TYR 10 -10.101 9.818 -12.244 99 HE2 TYR 10 HE2 TYR 10 -13.835 11.931 -12.447 100 HH TYR 10 HH TYR 10 -12.276 11.517 -14.268 101 H ASN 11 H ASN 11 -10.602 11.323 -7.936 102 HA ASN 11 HA ASN 11 -12.284 12.876 -6.021 103 1HB ASN 11 2HB ASN 11 -9.287 12.408 -5.874 104 2HB ASN 11 1HB ASN 11 -10.175 13.535 -4.847 105 1HD2 ASN 11 1HD2 ASN 11 -8.734 10.802 -4.325 106 2HD2 ASN 11 2HD2 ASN 11 -9.880 9.933 -3.424 107 H ALA 12 H ALA 12 -12.613 13.548 -8.528 108 HA ALA 12 HA ALA 12 -10.732 15.019 -9.994 109 1HB ALA 12 1HB ALA 12 -12.693 16.039 -11.013 110 2HB ALA 12 2HB ALA 12 -13.666 15.678 -9.587 111 3HB ALA 12 3HB ALA 12 -13.084 14.367 -10.613 112 H LYS 13 H LYS 13 -12.379 15.909 -7.032 113 HA LYS 13 HA LYS 13 -12.188 18.721 -7.058 114 1HB LYS 13 2HB LYS 13 -11.723 16.739 -4.802 115 2HB LYS 13 1HB LYS 13 -12.120 18.443 -4.586 116 1HG LYS 13 2HG LYS 13 -14.030 17.361 -6.395 117 2HG LYS 13 1HG LYS 13 -13.906 16.242 -5.037 118 1HD LYS 13 2HD LYS 13 -13.901 18.664 -3.750 119 2HD LYS 13 1HD LYS 13 -14.972 18.991 -5.114 120 1HE LYS 13 2HE LYS 13 -16.092 16.712 -4.471 121 2HE LYS 13 1HE LYS 13 -15.304 16.972 -2.902 122 1HZ LYS 13 1HZ LYS 13 -17.338 18.099 -2.737 123 2HZ LYS 13 2HZ LYS 13 -17.220 18.741 -4.305 124 3HZ LYS 13 3HZ LYS 13 -16.208 19.320 -3.069 125 H ASP 14 H ASP 14 -9.888 16.741 -5.191 126 HA ASP 14 HA ASP 14 -7.791 18.732 -5.403 127 1HB ASP 14 2HB ASP 14 -8.424 16.547 -3.819 128 2HB ASP 14 1HB ASP 14 -7.035 15.967 -4.739 129 H GLY 15 H GLY 15 -9.001 16.487 -7.607 130 1HA GLY 15 2HA GLY 15 -8.200 15.902 -9.746 131 2HA GLY 15 1HA GLY 15 -6.781 16.902 -9.436 132 H LEU 16 H LEU 16 -8.044 14.072 -7.663 133 HA LEU 16 HA LEU 16 -5.487 12.647 -8.309 134 1HB LEU 16 2HB LEU 16 -6.436 13.731 -5.819 135 2HB LEU 16 1HB LEU 16 -6.368 11.973 -5.686 136 HG LEU 16 HG LEU 16 -4.031 12.089 -6.657 137 1HD1 LEU 16 1HD1 LEU 16 -2.941 14.375 -6.355 138 2HD1 LEU 16 2HD1 LEU 16 -4.571 15.037 -6.236 139 3HD1 LEU 16 3HD1 LEU 16 -4.051 14.236 -7.718 140 1HD2 LEU 16 1HD2 LEU 16 -4.381 11.800 -4.253 141 2HD2 LEU 16 2HD2 LEU 16 -4.588 13.539 -4.050 142 3HD2 LEU 16 3HD2 LEU 16 -3.018 12.886 -4.519 143 2HN ABA 17 HN ABA 17 -5.699 10.253 -7.877 144 HA ABA 17 HA ABA 17 -8.453 9.176 -7.751 145 1HB ABA 17 1HB ABA 17 -6.623 8.965 -10.162 146 2HB ABA 17 2HB ABA 17 -8.188 9.776 -10.096 147 1HG ABA 17 1HG ABA 17 -8.798 7.725 -11.014 148 2HG ABA 17 2HG ABA 17 -9.027 7.396 -9.297 149 3HG ABA 17 3HG ABA 17 -7.566 6.840 -10.114 150 H GLN 18 H GLN 18 -6.783 8.622 -5.784 151 HA GLN 18 HA GLN 18 -4.722 6.796 -5.873 152 1HB GLN 18 2HB GLN 18 -7.147 7.017 -4.081 153 2HB GLN 18 1HB GLN 18 -5.831 5.897 -3.727 154 1HG GLN 18 2HG GLN 18 -4.738 8.479 -4.390 155 2HG GLN 18 1HG GLN 18 -5.945 8.660 -3.116 156 1HE2 GLN 18 1HE2 GLN 18 -5.689 7.015 -1.233 157 2HE2 GLN 18 2HE2 GLN 18 -4.105 6.611 -0.776 158 H THR 19 H THR 19 -4.481 4.772 -6.733 159 HA THR 19 HA THR 19 -6.895 3.027 -6.995 160 HB THR 19 HB THR 19 -4.899 3.893 -9.095 161 HG1 THR 19 HG1 THR 19 -6.750 5.111 -8.985 162 1HG2 THR 19 1HG2 THR 19 -5.745 2.151 -10.560 163 2HG2 THR 19 2HG2 THR 19 -6.859 1.592 -9.310 164 3HG2 THR 19 3HG2 THR 19 -5.120 1.398 -9.093 165 H PHE 20 H PHE 20 -6.120 1.652 -5.317 166 HA PHE 20 HA PHE 20 -3.414 0.444 -5.688 167 1HB PHE 20 2HB PHE 20 -3.699 1.300 -3.508 168 2HB PHE 20 1HB PHE 20 -5.378 0.770 -3.424 169 HD1 PHE 20 HD1 PHE 20 -5.894 -1.210 -2.293 170 HD2 PHE 20 HD2 PHE 20 -1.913 -0.622 -3.796 171 HE1 PHE 20 HE1 PHE 20 -5.175 -3.326 -1.217 172 HE2 PHE 20 HE2 PHE 20 -1.194 -2.737 -2.720 173 HZ PHE 20 HZ PHE 20 -2.825 -4.088 -1.430 174 H VAL 21 H VAL 21 -3.596 -1.319 -7.053 175 HA VAL 21 HA VAL 21 -5.823 -3.259 -6.507 176 HB VAL 21 HB VAL 21 -5.860 -3.674 -8.874 177 1HG1 VAL 21 1HG1 VAL 21 -6.408 -1.495 -9.755 178 2HG1 VAL 21 2HG1 VAL 21 -5.384 -0.698 -8.562 179 3HG1 VAL 21 3HG1 VAL 21 -6.867 -1.505 -8.052 180 1HG2 VAL 21 1HG2 VAL 21 -4.143 -2.288 -10.289 181 2HG2 VAL 21 2HG2 VAL 21 -3.612 -3.792 -9.537 182 3HG2 VAL 21 3HG2 VAL 21 -3.211 -2.244 -8.792 183 H TYR 22 H TYR 22 -5.241 -5.503 -6.592 184 HA TYR 22 HA TYR 22 -2.329 -6.130 -6.829 185 1HB TYR 22 2HB TYR 22 -2.661 -7.522 -4.719 186 2HB TYR 22 1HB TYR 22 -2.721 -5.776 -4.479 187 HD1 TYR 22 HD1 TYR 22 -4.771 -4.656 -3.871 188 HD2 TYR 22 HD2 TYR 22 -4.749 -8.862 -4.744 189 HE1 TYR 22 HE1 TYR 22 -7.062 -4.860 -2.945 190 HE2 TYR 22 HE2 TYR 22 -7.041 -9.066 -3.817 191 HH TYR 22 HH TYR 22 -8.536 -7.932 -2.350 192 H GLY 23 H GLY 23 -2.108 -7.873 -8.174 193 1HA GLY 23 2HA GLY 23 -4.289 -9.293 -9.299 194 2HA GLY 23 1HA GLY 23 -2.616 -9.848 -9.335 195 H GLY 24 H GLY 24 -4.999 -11.489 -8.926 196 1HA GLY 24 2HA GLY 24 -4.072 -13.052 -6.689 197 2HA GLY 24 1HA GLY 24 -5.548 -12.181 -6.266 198 H CYS 25 H CYS 25 -4.838 -13.346 -9.513 199 HA CYS 25 HA CYS 25 -6.675 -15.652 -9.178 200 1HB CYS 25 2HB CYS 25 -8.067 -13.636 -9.604 201 2HB CYS 25 1HB CYS 25 -7.161 -13.343 -11.089 202 1HN NH2 26 1H CYS 25 -5.103 -13.690 -11.786 203 2HN NH2 26 2H CYS 25 -4.398 -15.019 -12.571 204 1HA MPT 1 1HA MPT 1 0.375 -17.958 -0.939 205 2HA MPT 1 2HA MPT 1 1.592 -17.830 -2.218 206 1HB MPT 1 1HB MPT 1 2.322 -18.228 0.276 207 2HB MPT 1 2HB MPT 1 1.984 -16.509 0.471 208 H LYS 2 H LYS 2 -0.094 -16.590 -3.393 209 HA LYS 2 HA LYS 2 -0.875 -14.507 -4.203 210 1HB LYS 2 2HB LYS 2 -2.351 -14.940 -2.269 211 2HB LYS 2 1HB LYS 2 -1.184 -14.157 -1.202 212 1HG LYS 2 2HG LYS 2 -2.596 -12.371 -1.614 213 2HG LYS 2 1HG LYS 2 -1.456 -12.165 -2.944 214 1HD LYS 2 2HD LYS 2 -2.962 -13.443 -4.431 215 2HD LYS 2 1HD LYS 2 -4.108 -13.629 -3.103 216 1HE LYS 2 2HE LYS 2 -3.176 -10.888 -3.984 217 2HE LYS 2 1HE LYS 2 -4.564 -11.690 -4.748 218 1HZ LYS 2 1HZ LYS 2 -4.217 -10.869 -1.937 219 2HZ LYS 2 2HZ LYS 2 -5.256 -12.159 -2.321 220 3HZ LYS 2 3HZ LYS 2 -5.540 -10.612 -2.966 221 H ALA 3 H ALA 3 1.593 -14.178 -4.671 222 HA ALA 3 HA ALA 3 2.704 -11.960 -2.993 223 1HB ALA 3 1HB ALA 3 4.738 -12.930 -3.380 224 2HB ALA 3 2HB ALA 3 4.359 -13.265 -5.069 225 3HB ALA 3 3HB ALA 3 3.779 -14.347 -3.803 226 H ARG 4 H ARG 4 0.662 -11.208 -4.755 227 HA ARG 4 HA ARG 4 2.205 -9.692 -6.826 228 1HB ARG 4 2HB ARG 4 -0.012 -11.636 -7.074 229 2HB ARG 4 1HB ARG 4 -0.222 -10.155 -8.009 230 1HG ARG 4 2HG ARG 4 2.485 -10.952 -8.328 231 2HG ARG 4 1HG ARG 4 1.493 -12.391 -8.569 232 1HD ARG 4 2HD ARG 4 1.633 -11.341 -10.724 233 2HD ARG 4 1HD ARG 4 0.027 -10.911 -10.101 234 HE ARG 4 HE ARG 4 2.123 -9.025 -9.319 235 1HH1 ARG 4 1HH2 ARG 4 -0.923 -9.296 -10.591 236 2HH1 ARG 4 2HH2 ARG 4 -0.780 -8.000 -11.729 237 1HH2 ARG 4 1HH1 ARG 4 2.636 -7.617 -11.265 238 2HH2 ARG 4 2HH1 ARG 4 1.235 -7.049 -12.110 239 H ILE 5 H ILE 5 2.046 -7.720 -5.663 240 HA ILE 5 HA ILE 5 -0.740 -6.655 -5.351 241 HB ILE 5 HB ILE 5 1.654 -6.387 -3.502 242 1HG1 ILE 5 2HG1 ILE 5 -1.017 -7.804 -3.249 243 2HG1 ILE 5 1HG1 ILE 5 0.579 -8.556 -3.294 244 1HG2 ILE 5 1HG2 ILE 5 0.006 -5.193 -2.027 245 2HG2 ILE 5 2HG2 ILE 5 -1.129 -5.189 -3.378 246 3HG2 ILE 5 3HG2 ILE 5 0.395 -4.311 -3.504 247 1HD1 ILE 5 1HD1 ILE 5 0.148 -8.501 -0.999 248 2HD1 ILE 5 2HD1 ILE 5 -0.693 -6.953 -1.094 249 3HD1 ILE 5 3HD1 ILE 5 1.064 -7.011 -1.228 250 H ILE 6 H ILE 6 -1.006 -4.643 -6.271 251 HA ILE 6 HA ILE 6 1.461 -3.098 -7.001 252 HB ILE 6 HB ILE 6 -1.064 -3.628 -8.600 253 1HG1 ILE 6 2HG1 ILE 6 1.784 -4.325 -9.329 254 2HG1 ILE 6 1HG1 ILE 6 0.784 -5.424 -8.378 255 1HG2 ILE 6 1HG2 ILE 6 -0.523 -1.520 -9.363 256 2HG2 ILE 6 2HG2 ILE 6 0.580 -2.463 -10.364 257 3HG2 ILE 6 3HG2 ILE 6 1.172 -1.674 -8.903 258 1HD1 ILE 6 1HD1 ILE 6 -0.482 -6.008 -10.168 259 2HD1 ILE 6 2HD1 ILE 6 0.840 -5.343 -11.128 260 3HD1 ILE 6 3HD1 ILE 6 -0.570 -4.349 -10.759 261 H ARG 7 H ARG 7 1.192 -0.794 -6.954 262 HA ARG 7 HA ARG 7 -1.358 0.165 -5.693 263 1HB ARG 7 2HB ARG 7 0.940 -0.108 -4.367 264 2HB ARG 7 1HB ARG 7 1.290 1.444 -5.129 265 1HG ARG 7 2HG ARG 7 -0.308 2.556 -3.921 266 2HG ARG 7 1HG ARG 7 -1.395 1.168 -3.885 267 1HD ARG 7 2HD ARG 7 -0.500 0.362 -1.935 268 2HD ARG 7 1HD ARG 7 1.151 0.826 -2.391 269 HE ARG 7 HE ARG 7 -0.247 3.235 -2.045 270 1HH1 ARG 7 1HH1 ARG 7 2.139 2.006 -0.440 271 2HH1 ARG 7 2HH1 ARG 7 1.523 2.170 1.170 272 1HH2 ARG 7 1HH2 ARG 7 -1.732 2.786 0.147 273 2HH2 ARG 7 2HH2 ARG 7 -0.668 2.612 1.503 274 H TYR 8 H TYR 8 -2.222 1.108 -7.590 275 HA TYR 8 HA TYR 8 -0.515 2.936 -9.190 276 1HB TYR 8 2HB TYR 8 -3.257 1.698 -9.424 277 2HB TYR 8 1HB TYR 8 -2.772 3.013 -10.491 278 HD1 TYR 8 HD1 TYR 8 0.038 2.522 -11.007 279 HD2 TYR 8 HD2 TYR 8 -3.189 -0.290 -10.655 280 HE1 TYR 8 HE1 TYR 8 1.285 0.915 -12.425 281 HE2 TYR 8 HE2 TYR 8 -1.943 -1.898 -12.071 282 HH TYR 8 HH TYR 8 -0.157 -1.826 -13.795 283 H PHE 9 H PHE 9 -0.369 5.008 -8.368 284 HA PHE 9 HA PHE 9 -2.888 6.235 -7.299 285 1HB PHE 9 2HB PHE 9 -1.452 5.796 -5.451 286 2HB PHE 9 1HB PHE 9 -0.019 6.286 -6.350 287 HD1 PHE 9 HD1 PHE 9 0.861 8.071 -5.103 288 HD2 PHE 9 HD2 PHE 9 -3.318 8.018 -6.088 289 HE1 PHE 9 HE1 PHE 9 0.633 10.384 -4.242 290 HE2 PHE 9 HE2 PHE 9 -3.549 10.333 -5.226 291 HZ PHE 9 HZ PHE 9 -1.575 11.516 -4.302 292 H TYR 10 H TYR 10 -1.870 6.352 -10.039 293 HA TYR 10 HA TYR 10 -0.354 8.534 -10.845 294 1HB TYR 10 2HB TYR 10 -1.439 8.236 -12.877 295 2HB TYR 10 1HB TYR 10 -1.901 6.740 -12.070 296 HD1 TYR 10 HD1 TYR 10 -3.034 10.183 -12.897 297 HD2 TYR 10 HD2 TYR 10 -4.183 6.283 -11.515 298 HE1 TYR 10 HE1 TYR 10 -5.422 10.807 -13.129 299 HE2 TYR 10 HE2 TYR 10 -6.572 6.906 -11.746 300 HH TYR 10 HH TYR 10 -7.856 8.721 -13.294 301 H ASN 11 H ASN 11 -0.437 10.676 -10.282 302 HA ASN 11 HA ASN 11 -3.102 11.854 -9.553 303 1HB ASN 11 2HB ASN 11 -1.809 13.244 -7.965 304 2HB ASN 11 1HB ASN 11 -1.548 11.528 -7.654 305 1HD2 ASN 11 1HD2 ASN 11 0.592 10.740 -7.814 306 2HD2 ASN 11 2HD2 ASN 11 1.907 11.679 -8.335 307 H ALA 12 H ALA 12 -3.153 14.283 -9.930 308 HA ALA 12 HA ALA 12 -2.188 14.896 -12.614 309 1HB ALA 12 1HB ALA 12 -3.419 17.009 -12.171 310 2HB ALA 12 2HB ALA 12 -3.578 16.547 -10.476 311 3HB ALA 12 3HB ALA 12 -4.379 15.598 -11.729 312 H LYS 13 H LYS 13 -1.967 17.773 -10.958 313 HA LYS 13 HA LYS 13 -0.114 19.179 -10.545 314 1HB LYS 13 2HB LYS 13 -0.309 17.708 -8.537 315 2HB LYS 13 1HB LYS 13 0.829 16.585 -9.284 316 1HG LYS 13 2HG LYS 13 2.320 18.766 -9.512 317 2HG LYS 13 1HG LYS 13 1.323 19.318 -8.166 318 1HD LYS 13 2HD LYS 13 2.460 18.020 -6.724 319 2HD LYS 13 1HD LYS 13 2.159 16.592 -7.713 320 1HE LYS 13 2HE LYS 13 4.193 18.458 -8.801 321 2HE LYS 13 1HE LYS 13 4.652 17.608 -7.311 322 1HZ LYS 13 1HZ LYS 13 3.882 15.533 -8.335 323 2HZ LYS 13 2HZ LYS 13 5.159 16.231 -9.212 324 3HZ LYS 13 3HZ LYS 13 3.562 16.362 -9.780 325 H ASP 14 H ASP 14 0.053 18.275 -13.147 326 HA ASP 14 HA ASP 14 1.565 17.672 -14.883 327 1HB ASP 14 2HB ASP 14 3.028 19.373 -12.863 328 2HB ASP 14 1HB ASP 14 3.818 18.869 -14.358 329 H GLY 15 H GLY 15 1.284 15.372 -13.611 330 1HA GLY 15 2HA GLY 15 3.477 13.794 -13.992 331 2HA GLY 15 1HA GLY 15 3.776 14.440 -12.377 332 H CLH 16 H CLH 16 2.053 12.087 -14.172 333 HA CLH 16 HA CLH 16 0.435 11.418 -11.742 334 1HB CLH 16 1HB CLH 16 -1.168 11.852 -13.356 335 2HB CLH 16 2HB CLH 16 -0.891 10.144 -13.680 336 1HG CLH 16 1HG CLH 16 0.495 12.430 -15.119 337 2HG CLH 16 2HG CLH 16 -0.867 11.511 -15.758 338 1HD CLH 16 1HD CLH 16 0.942 9.546 -14.974 339 2HD CLH 16 2HD CLH 16 1.968 10.804 -15.661 340 1HE CLH 16 1HE CLH 16 1.241 10.347 -17.772 341 2HE CLH 16 2HE CLH 16 -0.456 10.317 -17.252 342 HNZ CLH 16 HNZ CLH 16 1.401 8.019 -16.721 343 1HI CLH 16 1HI CLH 16 0.278 5.928 -18.140 344 2HI CLH 16 2HI CLH 16 0.081 5.965 -16.388 345 HNJ CLH 16 HNJ CLH 16 -2.497 6.164 -17.169 346 HL CLH 16 HL CLH 16 -3.783 4.530 -18.813 347 2HN ABA 17 HN ABA 17 3.097 10.493 -11.899 348 HA ABA 17 HA ABA 17 2.696 7.616 -12.617 349 1HB ABA 17 1HB ABA 17 5.163 7.577 -12.865 350 2HB ABA 17 2HB ABA 17 5.242 9.259 -12.338 351 1HG ABA 17 1HG ABA 17 3.697 8.301 -14.767 352 2HG ABA 17 2HG ABA 17 5.319 8.990 -14.835 353 3HG ABA 17 3HG ABA 17 3.966 9.975 -14.281 354 H GLN 18 H GLN 18 3.118 6.063 -11.036 355 HA GLN 18 HA GLN 18 4.534 6.333 -8.614 356 1HB GLN 18 2HB GLN 18 2.339 6.768 -7.185 357 2HB GLN 18 1HB GLN 18 3.252 8.118 -7.848 358 1HG GLN 18 2HG GLN 18 0.628 7.951 -8.166 359 2HG GLN 18 1HG GLN 18 1.643 8.604 -9.439 360 1HE2 GLN 18 1HE2 GLN 18 1.205 7.709 -11.466 361 2HE2 GLN 18 2HE2 GLN 18 0.582 6.155 -11.740 362 H THR 19 H THR 19 4.411 4.084 -9.874 363 HA THR 19 HA THR 19 2.122 2.438 -8.892 364 HB THR 19 HB THR 19 4.331 2.018 -10.930 365 HG1 THR 19 HG1 THR 19 2.904 3.020 -12.079 366 1HG2 THR 19 1HG2 THR 19 2.381 0.144 -9.690 367 2HG2 THR 19 2HG2 THR 19 3.982 -0.176 -10.358 368 3HG2 THR 19 3HG2 THR 19 2.600 0.024 -11.436 369 H PHE 20 H PHE 20 2.465 1.244 -7.057 370 HA PHE 20 HA PHE 20 5.295 0.596 -6.300 371 1HB PHE 20 2HB PHE 20 2.878 0.697 -4.484 372 2HB PHE 20 1HB PHE 20 4.579 0.813 -4.035 373 HD1 PHE 20 HD1 PHE 20 1.880 2.741 -3.913 374 HD2 PHE 20 HD2 PHE 20 5.661 2.730 -5.950 375 HE1 PHE 20 HE1 PHE 20 1.767 5.209 -4.135 376 HE2 PHE 20 HE2 PHE 20 5.549 5.198 -6.173 377 HZ PHE 20 HZ PHE 20 3.601 6.437 -5.266 378 H VAL 21 H VAL 21 5.801 -1.560 -6.339 379 HA VAL 21 HA VAL 21 3.542 -3.536 -6.290 380 HB VAL 21 HB VAL 21 4.733 -3.372 -8.430 381 1HG1 VAL 21 1HG1 VAL 21 6.982 -3.006 -6.697 382 2HG1 VAL 21 2HG1 VAL 21 6.924 -2.862 -8.454 383 3HG1 VAL 21 3HG1 VAL 21 7.291 -4.417 -7.709 384 1HG2 VAL 21 1HG2 VAL 21 4.802 -5.766 -6.721 385 2HG2 VAL 21 2HG2 VAL 21 5.967 -5.814 -8.046 386 3HG2 VAL 21 3HG2 VAL 21 4.251 -5.592 -8.387 387 H TYR 22 H TYR 22 3.562 -4.898 -4.544 388 HA TYR 22 HA TYR 22 6.167 -5.338 -3.119 389 1HB TYR 22 2HB TYR 22 4.824 -3.791 -1.847 390 2HB TYR 22 1HB TYR 22 3.379 -4.778 -2.067 391 HD1 TYR 22 HD1 TYR 22 6.687 -6.266 -1.432 392 HD2 TYR 22 HD2 TYR 22 2.961 -5.050 0.324 393 HE1 TYR 22 HE1 TYR 22 7.240 -7.540 0.623 394 HE2 TYR 22 HE2 TYR 22 3.513 -6.322 2.379 395 HH TYR 22 HH TYR 22 6.432 -7.262 3.229 396 H GLY 23 H GLY 23 6.511 -7.439 -3.965 397 1HA GLY 23 2HA GLY 23 4.301 -9.412 -3.663 398 2HA GLY 23 1HA GLY 23 5.758 -9.655 -4.626 399 H GLY 24 H GLY 24 4.420 -9.758 -1.391 400 1HA GLY 24 2HA GLY 24 6.808 -11.332 -0.554 401 2HA GLY 24 1HA GLY 24 6.244 -10.015 0.477 402 H CYS 25 H CYS 25 3.700 -11.554 -1.168 403 HA CYS 25 HA CYS 25 1.943 -12.923 -0.373 404 1HB CYS 25 2HB CYS 25 4.411 -14.114 0.927 405 2HB CYS 25 1HB CYS 25 2.832 -14.900 0.945 406 1HN NH2 26 1H CYS 25 3.110 -10.539 1.397 407 2HN NH2 26 2H CYS 25 2.364 -10.800 2.900
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