NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
11051 | 1quz | 4541 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 2H ALA 1 HN2 ALA 1 -1.010 -3.298 1.659 2 H ALA 1 HN ALA 1 0.608 -3.000 1.227 3 3H ALA 1 HN3 ALA 1 0.117 -2.962 2.868 4 HA ALA 1 HA ALA 1 0.397 -0.723 1.804 5 1HB ALA 1 HB1 ALA 1 -1.378 -0.023 0.113 6 2HB ALA 1 HB2 ALA 1 -0.478 -1.441 -0.488 7 3HB ALA 1 HB3 ALA 1 -2.118 -1.658 0.210 8 H SER 2 HN SER 2 -0.762 1.115 2.696 9 HA SER 2 HA SER 2 -2.753 0.433 4.743 10 1HB SER 2 HB3 SER 2 -0.647 2.693 4.578 11 2HB SER 2 HB2 SER 2 -1.936 2.632 5.842 12 HG SER 2 HG SER 2 -1.186 0.634 6.486 13 H CYS 3 HN CYS 3 -4.373 2.112 5.301 14 HA CYS 3 HA CYS 3 -5.294 3.718 2.994 15 1HB CYS 3 HB2 CYS 3 -7.664 2.682 3.512 16 2HB CYS 3 HB3 CYS 3 -6.447 1.647 2.731 17 H ARG 4 HN ARG 4 -7.372 5.038 3.793 18 HA ARG 4 HA ARG 4 -6.873 6.132 6.483 19 1HB ARG 4 HB3 ARG 4 -7.942 7.743 4.065 20 2HB ARG 4 HB2 ARG 4 -7.609 8.260 5.725 21 1HG ARG 4 HG3 ARG 4 -5.861 9.106 4.538 22 2HG ARG 4 HG2 ARG 4 -5.145 7.628 5.283 23 1HD ARG 4 HD2 ARG 4 -5.473 6.530 2.898 24 2HD ARG 4 HD3 ARG 4 -5.893 8.179 2.323 25 HE ARG 4 HE ARG 4 -3.650 8.966 2.875 26 1HH1 ARG 4 HH2 ARG 4 -3.831 5.456 3.325 27 2HH1 ARG 4 HH2 ARG 4 -2.186 5.243 2.819 28 1HH2 ARG 4 HH1 ARG 4 -1.523 8.622 2.623 29 2HH2 ARG 4 HH1 ARG 4 -0.898 7.007 2.598 30 H THR 5 HN THR 5 -9.347 5.624 3.890 31 HA THR 5 HA THR 5 -11.297 4.661 5.818 32 HB THR 5 HB THR 5 -13.089 5.615 4.359 33 HG1 THR 5 HG1 THR 5 -12.472 7.268 2.914 34 1HG2 THR 5 HG2 THR 5 -12.826 7.977 5.158 35 2HG2 THR 5 HG2 THR 5 -12.239 6.853 6.433 36 3HG2 THR 5 HG2 THR 5 -11.067 7.737 5.385 37 HA PRO 6 HA PRO 6 -10.648 1.188 3.151 38 1HB PRO 6 HB2 PRO 6 -13.612 0.537 2.985 39 2HB PRO 6 HB3 PRO 6 -12.240 -0.465 3.528 40 1HG PRO 6 HG3 PRO 6 -14.000 0.737 5.318 41 2HG PRO 6 HG2 PRO 6 -12.227 0.659 5.661 42 1HD PRO 6 HD2 PRO 6 -13.782 3.045 4.540 43 2HD PRO 6 HD3 PRO 6 -12.533 2.932 5.878 44 H LYS 7 HN LYS 7 -12.479 3.697 1.596 45 HA LYS 7 HA LYS 7 -12.528 2.477 -1.033 46 1HB LYS 7 HB3 LYS 7 -14.228 4.171 -0.283 47 2HB LYS 7 HB2 LYS 7 -12.961 5.433 -0.356 48 1HG LYS 7 HG3 LYS 7 -14.303 5.560 -2.343 49 2HG LYS 7 HG2 LYS 7 -12.712 4.931 -2.862 50 1HD LYS 7 HD3 LYS 7 -13.715 2.584 -2.894 51 2HD LYS 7 HD2 LYS 7 -15.296 3.301 -2.426 52 1HE LYS 7 HE3 LYS 7 -15.286 4.674 -4.560 53 2HE LYS 7 HE2 LYS 7 -13.728 3.893 -5.046 54 1HZ LYS 7 HZ1 LYS 7 -15.622 2.841 -6.046 55 2HZ LYS 7 HZ2 LYS 7 -14.849 1.765 -4.984 56 3HZ LYS 7 HZ3 LYS 7 -16.308 2.504 -4.530 57 H ASP 8 HN ASP 8 -9.981 3.994 0.854 58 HA ASP 8 HA ASP 8 -8.370 4.825 -1.397 59 1HB ASP 8 HB3 ASP 8 -7.616 4.399 1.548 60 2HB ASP 8 HB2 ASP 8 -6.562 5.150 0.291 61 H CYS 9 HN CYS 9 -9.228 1.710 -0.139 62 HA CYS 9 HA CYS 9 -6.819 0.411 -1.109 63 1HB CYS 9 HB2 CYS 9 -8.002 -0.542 1.071 64 2HB CYS 9 HB3 CYS 9 -9.309 -1.028 -0.025 65 H ALA 10 HN ALA 10 -9.815 1.587 -2.417 66 HA ALA 10 HA ALA 10 -10.443 -0.345 -4.296 67 1HB ALA 10 HB1 ALA 10 -10.871 2.685 -4.516 68 2HB ALA 10 HB2 ALA 10 -11.758 1.423 -5.443 69 3HB ALA 10 HB3 ALA 10 -11.931 1.523 -3.661 70 H ASP 11 HN ASP 11 -7.902 2.065 -4.406 71 HA ASP 11 HA ASP 11 -7.267 1.654 -7.214 72 1HB ASP 11 HB2 ASP 11 -5.759 3.354 -5.165 73 2HB ASP 11 HB3 ASP 11 -5.586 3.392 -6.958 74 HA PRO 12 HA PRO 12 -3.475 -0.865 -5.594 75 1HB PRO 12 HB3 PRO 12 -3.435 -1.704 -2.864 76 2HB PRO 12 HB2 PRO 12 -2.644 -0.215 -3.512 77 1HG PRO 12 HG3 PRO 12 -5.384 -0.557 -2.288 78 2HG PRO 12 HG2 PRO 12 -4.137 0.651 -1.789 79 1HD PRO 12 HD2 PRO 12 -6.140 1.411 -3.428 80 2HD PRO 12 HD3 PRO 12 -4.444 1.910 -3.839 81 H CYS 13 HN CYS 13 -6.749 -1.615 -4.155 82 HA CYS 13 HA CYS 13 -6.439 -4.473 -4.483 83 1HB CYS 13 HB2 CYS 13 -7.774 -3.483 -2.629 84 2HB CYS 13 HB3 CYS 13 -8.995 -2.938 -3.806 85 H ARG 14 HN ARG 14 -7.814 -1.833 -6.554 86 HA ARG 14 HA ARG 14 -8.671 -3.714 -8.589 87 1HB ARG 14 HB3 ARG 14 -9.829 -1.641 -8.343 88 2HB ARG 14 HB2 ARG 14 -8.326 -0.677 -8.619 89 1HG ARG 14 HG3 ARG 14 -8.168 -1.420 -10.919 90 2HG ARG 14 HG2 ARG 14 -9.500 -2.604 -10.679 91 1HD ARG 14 HD3 ARG 14 -9.935 -0.414 -12.095 92 2HD ARG 14 HD2 ARG 14 -11.238 -0.850 -10.928 93 HE ARG 14 HE ARG 14 -9.585 0.674 -9.361 94 1HH1 ARG 14 HH1 ARG 14 -11.042 1.354 -12.461 95 2HH1 ARG 14 HH1 ARG 14 -10.981 3.073 -12.251 96 1HH2 ARG 14 HH2 ARG 14 -9.531 2.910 -9.132 97 2HH2 ARG 14 HH2 ARG 14 -10.124 3.926 -10.415 98 H LYS 15 HN LYS 15 -5.612 -2.501 -7.683 99 HA LYS 15 HA LYS 15 -4.502 -3.051 -10.313 100 1HB LYS 15 HB2 LYS 15 -3.765 -1.044 -9.119 101 2HB LYS 15 HB3 LYS 15 -3.213 -2.011 -7.725 102 1HG LYS 15 HG2 LYS 15 -1.330 -1.204 -9.110 103 2HG LYS 15 HG3 LYS 15 -1.382 -2.988 -9.015 104 1HD LYS 15 HD3 LYS 15 -0.758 -2.337 -11.235 105 2HD LYS 15 HD2 LYS 15 -2.374 -3.104 -11.329 106 1HE LYS 15 HE3 LYS 15 -3.432 -0.823 -11.593 107 2HE LYS 15 HE2 LYS 15 -1.803 -0.053 -11.396 108 1HZ LYS 15 HZ1 LYS 15 -2.432 -0.264 -13.690 109 2HZ LYS 15 HZ2 LYS 15 -1.068 -1.221 -13.359 110 3HZ LYS 15 HZ3 LYS 15 -2.591 -1.949 -13.548 111 H GLU 16 HN GLU 16 -4.357 -4.438 -6.954 112 HA GLU 16 HA GLU 16 -2.618 -6.613 -7.881 113 1HB GLU 16 HB3 GLU 16 -2.128 -7.302 -5.617 114 2HB GLU 16 HB2 GLU 16 -1.934 -5.544 -5.714 115 1HG GLU 16 HG3 GLU 16 -4.577 -5.730 -4.875 116 2HG GLU 16 HG2 GLU 16 -3.973 -7.296 -4.259 117 H THR 17 HN THR 17 -6.111 -6.472 -6.796 118 HA THR 17 HA THR 17 -6.179 -9.349 -7.540 119 HB THR 17 HB THR 17 -8.226 -9.733 -6.484 120 HG1 THR 17 HG1 THR 17 -9.206 -8.227 -5.148 121 1HG2 THR 17 HG2 THR 17 -6.188 -8.301 -4.624 122 2HG2 THR 17 HG2 THR 17 -7.405 -9.504 -4.120 123 3HG2 THR 17 HG2 THR 17 -6.078 -9.982 -5.232 124 H GLY 18 HN GLY 18 -7.901 -6.264 -7.888 125 1HA GLY 18 HA1 GLY 18 -7.981 -5.564 -10.280 126 2HA GLY 18 HA2 GLY 18 -8.789 -7.101 -10.632 127 H CYS 19 HN CYS 19 -10.134 -6.655 -7.842 128 HA CYS 19 HA CYS 19 -12.173 -4.697 -8.806 129 1HB CYS 19 HB3 CYS 19 -12.768 -7.309 -7.355 130 2HB CYS 19 HB2 CYS 19 -13.947 -6.041 -7.628 131 HA PRO 20 HA PRO 20 -11.107 -2.795 -5.094 132 1HB PRO 20 HB2 PRO 20 -12.882 -0.768 -5.172 133 2HB PRO 20 HB3 PRO 20 -11.934 -1.140 -6.638 134 1HG PRO 20 HG3 PRO 20 -14.795 -2.079 -5.990 135 2HG PRO 20 HG2 PRO 20 -14.239 -1.167 -7.456 136 1HD PRO 20 HD3 PRO 20 -14.328 -4.048 -7.289 137 2HD PRO 20 HD2 PRO 20 -13.189 -3.079 -8.339 138 H TYR 21 HN TYR 21 -12.036 -5.165 -4.052 139 HA TYR 21 HA TYR 21 -13.997 -4.431 -1.931 140 1HB TYR 21 HB3 TYR 21 -13.251 -7.284 -3.101 141 2HB TYR 21 HB2 TYR 21 -14.165 -6.990 -1.604 142 HD1 TYR 21 HD1 TYR 21 -15.428 -4.509 -4.048 143 HD2 TYR 21 HD2 TYR 21 -15.424 -8.658 -2.874 144 HE1 TYR 21 HE1 TYR 21 -17.513 -4.830 -5.218 145 HE2 TYR 21 HE2 TYR 21 -17.547 -8.983 -4.070 146 HH TYR 21 HH TYR 21 -19.125 -6.280 -5.826 147 H GLY 22 HN GLY 22 -12.560 -3.392 -0.423 148 1HA GLY 22 HA1 GLY 22 -10.789 -5.324 0.909 149 2HA GLY 22 HA2 GLY 22 -10.004 -3.828 0.239 150 H LYS 23 HN LYS 23 -10.467 -4.794 3.147 151 HA LYS 23 HA LYS 23 -12.091 -2.481 4.090 152 1HB LYS 23 HB3 LYS 23 -11.345 -5.127 5.468 153 2HB LYS 23 HB2 LYS 23 -12.154 -3.749 6.298 154 1HG LYS 23 HG2 LYS 23 -13.434 -5.489 4.100 155 2HG LYS 23 HG3 LYS 23 -13.768 -5.373 5.849 156 1HD LYS 23 HD3 LYS 23 -14.324 -2.882 5.458 157 2HD LYS 23 HD2 LYS 23 -14.315 -3.250 3.696 158 1HE LYS 23 HE2 LYS 23 -16.109 -4.567 5.857 159 2HE LYS 23 HE3 LYS 23 -16.623 -3.325 4.642 160 1HZ LYS 23 HZ1 LYS 23 -15.593 -6.047 4.037 161 2HZ LYS 23 HZ2 LYS 23 -17.212 -5.540 3.981 162 3HZ LYS 23 HZ3 LYS 23 -16.078 -4.883 2.900 163 H CYS 24 HN CYS 24 -11.281 -1.075 5.703 164 HA CYS 24 HA CYS 24 -8.364 -0.945 5.895 165 1HB CYS 24 HB3 CYS 24 -9.964 1.028 5.253 166 2HB CYS 24 HB2 CYS 24 -10.278 1.226 6.975 167 H MET 25 HN MET 25 -7.999 -2.640 7.209 168 HA MET 25 HA MET 25 -9.095 -2.618 9.972 169 1HB MET 25 HB3 MET 25 -7.792 -4.913 8.401 170 2HB MET 25 HB2 MET 25 -8.361 -4.996 10.100 171 1HG MET 25 HG2 MET 25 -10.055 -5.034 7.572 172 2HG MET 25 HG3 MET 25 -10.005 -6.081 8.996 173 1HE MET 25 HE1 MET 25 -12.543 -5.540 7.801 174 2HE MET 25 HE2 MET 25 -12.460 -6.303 9.418 175 3HE MET 25 HE3 MET 25 -13.639 -4.984 9.114 176 H ASN 26 HN ASN 26 -7.898 -1.258 11.029 177 HA ASN 26 HA ASN 26 -6.307 -0.187 12.006 178 1HB ASN 26 HB2 ASN 26 -6.173 -2.790 12.842 179 2HB ASN 26 HB3 ASN 26 -4.445 -2.558 12.465 180 1HD2 ASN 26 HD2 ASN 26 -4.337 0.305 13.236 181 2HD2 ASN 26 HD2 ASN 26 -4.596 0.308 14.975 182 H ARG 27 HN ARG 27 -6.093 0.350 9.505 183 HA ARG 27 HA ARG 27 -5.069 1.386 7.961 184 1HB ARG 27 HB2 ARG 27 -2.523 1.423 9.457 185 2HB ARG 27 HB3 ARG 27 -2.979 2.504 8.114 186 1HG ARG 27 HG2 ARG 27 -4.293 2.480 10.931 187 2HG ARG 27 HG3 ARG 27 -3.053 3.597 10.308 188 1HD ARG 27 HD3 ARG 27 -4.980 4.831 10.209 189 2HD ARG 27 HD2 ARG 27 -4.717 4.319 8.479 190 HE ARG 27 HE ARG 27 -6.528 2.491 9.976 191 1HH1 ARG 27 HH1 ARG 27 -6.412 5.713 8.806 192 2HH1 ARG 27 HH1 ARG 27 -8.117 5.800 8.526 193 1HH2 ARG 27 HH2 ARG 27 -8.787 2.618 9.182 194 2HH2 ARG 27 HH2 ARG 27 -9.365 4.220 8.763 195 H LYS 28 HN LYS 28 -5.326 -1.432 7.621 196 HA LYS 28 HA LYS 28 -3.166 -1.904 5.676 197 1HB LYS 28 HB2 LYS 28 -4.224 -3.871 7.798 198 2HB LYS 28 HB3 LYS 28 -3.339 -4.432 6.352 199 1HG LYS 28 HG3 LYS 28 -2.207 -2.668 8.590 200 2HG LYS 28 HG2 LYS 28 -1.894 -4.405 8.291 201 1HD LYS 28 HD2 LYS 28 -1.119 -2.100 6.396 202 2HD LYS 28 HD3 LYS 28 -0.006 -2.939 7.518 203 1HE LYS 28 HE3 LYS 28 -0.058 -5.000 6.269 204 2HE LYS 28 HE2 LYS 28 -1.488 -4.489 5.292 205 1HZ LYS 28 HZ1 LYS 28 1.179 -3.205 5.199 206 2HZ LYS 28 HZ2 LYS 28 0.515 -4.268 4.052 207 3HZ LYS 28 HZ3 LYS 28 -0.195 -2.746 4.309 208 H CYS 29 HN CYS 29 -3.848 -2.547 3.747 209 HA CYS 29 HA CYS 29 -6.610 -2.701 3.047 210 1HB CYS 29 HB2 CYS 29 -3.918 -3.089 1.589 211 2HB CYS 29 HB3 CYS 29 -5.430 -3.630 0.798 212 H LYS 30 HN LYS 30 -7.690 -4.451 4.071 213 HA LYS 30 HA LYS 30 -6.673 -7.166 3.503 214 1HB LYS 30 HB2 LYS 30 -9.148 -6.187 5.038 215 2HB LYS 30 HB3 LYS 30 -8.610 -7.896 4.895 216 1HG LYS 30 HG3 LYS 30 -7.105 -5.570 6.248 217 2HG LYS 30 HG2 LYS 30 -8.006 -6.897 7.066 218 1HD LYS 30 HD3 LYS 30 -6.387 -8.573 6.135 219 2HD LYS 30 HD2 LYS 30 -5.468 -7.237 5.348 220 1HE LYS 30 HE3 LYS 30 -4.999 -6.216 7.586 221 2HE LYS 30 HE2 LYS 30 -5.848 -7.604 8.387 222 1HZ LYS 30 HZ1 LYS 30 -4.278 -9.084 7.326 223 2HZ LYS 30 HZ2 LYS 30 -3.492 -7.775 6.580 224 3HZ LYS 30 HZ3 LYS 30 -3.484 -7.918 8.272 225 H CYS 31 HN CYS 31 -6.736 -7.003 1.271 226 HA CYS 31 HA CYS 31 -9.004 -6.327 -0.333 227 1HB CYS 31 HB3 CYS 31 -6.600 -5.865 -1.001 228 2HB CYS 31 HB2 CYS 31 -6.339 -7.600 -1.173 229 H ASN 32 HN ASN 32 -10.056 -7.610 -1.991 230 HA ASN 32 HA ASN 32 -10.161 -10.532 -1.550 231 1HB ASN 32 HB2 ASN 32 -11.858 -9.340 -0.028 232 2HB ASN 32 HB3 ASN 32 -12.637 -8.628 -1.478 233 1HD2 ASN 32 HD2 ASN 32 -14.628 -9.841 -0.535 234 2HD2 ASN 32 HD2 ASN 32 -14.809 -11.400 -1.323 235 H ARG 33 HN ARG 33 -12.049 -11.244 -3.249 236 HA ARG 33 HA ARG 33 -11.289 -10.322 -5.963 237 1HB ARG 33 HB2 ARG 33 -12.165 -12.716 -6.574 238 2HB ARG 33 HB3 ARG 33 -10.737 -12.573 -5.569 239 1HG ARG 33 HG2 ARG 33 -11.896 -14.380 -4.720 240 2HG ARG 33 HG3 ARG 33 -11.837 -13.132 -3.468 241 1HD ARG 33 HD2 ARG 33 -14.361 -14.145 -5.002 242 2HD ARG 33 HD3 ARG 33 -13.814 -14.471 -3.317 243 HE ARG 33 HE ARG 33 -14.238 -11.549 -3.821 244 1HH1 ARG 33 HH1 ARG 33 -15.921 -14.537 -2.816 245 2HH1 ARG 33 HH1 ARG 33 -17.347 -13.634 -2.441 246 1HH2 ARG 33 HH2 ARG 33 -16.077 -10.607 -3.414 247 2HH2 ARG 33 HH2 ARG 33 -17.470 -11.475 -2.805 248 H CYS 34 HN CYS 34 -13.320 -10.447 -7.596 249 HA CYS 34 HA CYS 34 -15.785 -9.566 -6.227 250 1HB CYS 34 HB2 CYS 34 -16.354 -9.050 -8.781 251 2HB CYS 34 HB3 CYS 34 -15.398 -7.935 -7.781 252 1HN NH2 35 HT1 CYS 34 -15.877 -12.090 -5.528 253 2HN NH2 35 HT2 CYS 34 -16.681 -13.068 -6.724 Start of MODEL 2 1 2H ALA 1 HN2 ALA 1 0.686 -2.485 2.569 2 H ALA 1 HN ALA 1 -0.833 -3.115 2.170 3 3H ALA 1 HN3 ALA 1 0.401 -3.061 0.998 4 HA ALA 1 HA ALA 1 0.333 -0.673 0.984 5 1HB ALA 1 HB1 ALA 1 -1.909 -0.507 -0.198 6 2HB ALA 1 HB2 ALA 1 -1.120 -2.053 -0.599 7 3HB ALA 1 HB3 ALA 1 -2.463 -2.021 0.596 8 H SER 2 HN SER 2 -0.890 1.384 1.555 9 HA SER 2 HA SER 2 -1.817 1.352 4.320 10 1HB SER 2 HB3 SER 2 -1.309 3.885 4.077 11 2HB SER 2 HB2 SER 2 0.083 2.779 3.896 12 HG SER 2 HG SER 2 -1.280 4.225 1.917 13 H CYS 3 HN CYS 3 -3.779 2.370 4.923 14 HA CYS 3 HA CYS 3 -5.508 3.624 3.017 15 1HB CYS 3 HB2 CYS 3 -7.488 2.072 3.426 16 2HB CYS 3 HB3 CYS 3 -6.151 1.317 2.532 17 H ARG 4 HN ARG 4 -7.206 4.767 4.141 18 HA ARG 4 HA ARG 4 -6.806 5.082 7.074 19 1HB ARG 4 HB2 ARG 4 -7.895 7.052 4.971 20 2HB ARG 4 HB3 ARG 4 -7.955 7.342 6.742 21 1HG ARG 4 HG3 ARG 4 -5.331 7.025 5.161 22 2HG ARG 4 HG2 ARG 4 -6.201 8.527 5.605 23 1HD ARG 4 HD2 ARG 4 -4.557 8.431 7.234 24 2HD ARG 4 HD3 ARG 4 -6.030 7.797 8.090 25 HE ARG 4 HE ARG 4 -4.607 5.523 6.995 26 1HH1 ARG 4 HH2 ARG 4 -4.328 7.858 9.666 27 2HH1 ARG 4 HH2 ARG 4 -3.184 6.832 10.480 28 1HH2 ARG 4 HH1 ARG 4 -2.890 4.552 7.998 29 2HH2 ARG 4 HH1 ARG 4 -2.470 5.056 9.631 30 H THR 5 HN THR 5 -9.393 5.232 4.525 31 HA THR 5 HA THR 5 -11.158 3.667 6.271 32 HB THR 5 HB THR 5 -13.061 4.708 4.994 33 HG1 THR 5 HG1 THR 5 -12.403 6.800 4.068 34 1HG2 THR 5 HG2 THR 5 -11.191 6.700 6.473 35 2HG2 THR 5 HG2 THR 5 -12.957 6.899 6.218 36 3HG2 THR 5 HG2 THR 5 -12.349 5.576 7.270 37 HA PRO 6 HA PRO 6 -10.852 0.507 3.119 38 1HB PRO 6 HB3 PRO 6 -13.947 0.607 2.987 39 2HB PRO 6 HB2 PRO 6 -12.874 -0.837 3.038 40 1HG PRO 6 HG3 PRO 6 -14.052 0.021 5.342 41 2HG PRO 6 HG2 PRO 6 -12.255 -0.239 5.389 42 1HD PRO 6 HD2 PRO 6 -13.706 2.424 4.906 43 2HD PRO 6 HD3 PRO 6 -12.422 1.993 6.142 44 H LYS 7 HN LYS 7 -12.795 3.296 2.065 45 HA LYS 7 HA LYS 7 -12.983 2.629 -0.707 46 1HB LYS 7 HB3 LYS 7 -13.417 5.298 0.718 47 2HB LYS 7 HB2 LYS 7 -13.893 4.894 -0.969 48 1HG LYS 7 HG3 LYS 7 -15.358 3.057 -0.127 49 2HG LYS 7 HG2 LYS 7 -14.973 3.516 1.565 50 1HD LYS 7 HD3 LYS 7 -15.848 5.831 1.114 51 2HD LYS 7 HD2 LYS 7 -16.341 5.306 -0.534 52 1HE LYS 7 HE3 LYS 7 -17.377 4.083 2.127 53 2HE LYS 7 HE2 LYS 7 -18.263 5.287 1.103 54 1HZ LYS 7 HZ1 LYS 7 -18.241 3.703 -0.694 55 2HZ LYS 7 HZ2 LYS 7 -17.405 2.572 0.259 56 3HZ LYS 7 HZ3 LYS 7 -18.976 3.052 0.691 57 H ASP 8 HN ASP 8 -10.173 3.501 1.081 58 HA ASP 8 HA ASP 8 -8.921 4.921 -1.160 59 1HB ASP 8 HB2 ASP 8 -7.930 4.318 1.707 60 2HB ASP 8 HB3 ASP 8 -7.027 5.263 0.453 61 H CYS 9 HN CYS 9 -9.477 1.602 -0.228 62 HA CYS 9 HA CYS 9 -6.854 0.803 -1.296 63 1HB CYS 9 HB3 CYS 9 -7.879 -0.031 0.980 64 2HB CYS 9 HB2 CYS 9 -8.753 -1.195 -0.010 65 H ALA 10 HN ALA 10 -9.785 1.589 -2.537 66 HA ALA 10 HA ALA 10 -10.400 -0.345 -4.364 67 1HB ALA 10 HB1 ALA 10 -11.859 1.579 -3.753 68 2HB ALA 10 HB2 ALA 10 -10.763 2.707 -4.604 69 3HB ALA 10 HB3 ALA 10 -11.703 1.477 -5.530 70 H ASP 11 HN ASP 11 -8.055 2.345 -4.861 71 HA ASP 11 HA ASP 11 -7.427 1.510 -7.566 72 1HB ASP 11 HB2 ASP 11 -7.371 4.074 -6.715 73 2HB ASP 11 HB3 ASP 11 -5.992 3.635 -5.752 74 HA PRO 12 HA PRO 12 -3.487 -0.522 -5.562 75 1HB PRO 12 HB3 PRO 12 -4.608 -0.967 -2.700 76 2HB PRO 12 HB2 PRO 12 -2.893 -0.733 -3.220 77 1HG PRO 12 HG2 PRO 12 -4.448 1.229 -2.059 78 2HG PRO 12 HG3 PRO 12 -3.277 1.641 -3.396 79 1HD PRO 12 HD2 PRO 12 -6.305 1.310 -3.541 80 2HD PRO 12 HD3 PRO 12 -5.179 2.495 -4.316 81 H CYS 13 HN CYS 13 -6.799 -1.470 -4.335 82 HA CYS 13 HA CYS 13 -6.261 -4.268 -4.665 83 1HB CYS 13 HB2 CYS 13 -7.669 -3.471 -2.852 84 2HB CYS 13 HB3 CYS 13 -8.894 -2.925 -4.024 85 H ARG 14 HN ARG 14 -7.645 -1.779 -6.772 86 HA ARG 14 HA ARG 14 -8.433 -3.611 -8.879 87 1HB ARG 14 HB3 ARG 14 -9.404 -1.444 -8.637 88 2HB ARG 14 HB2 ARG 14 -7.831 -0.583 -8.781 89 1HG ARG 14 HG3 ARG 14 -7.653 -1.302 -11.168 90 2HG ARG 14 HG2 ARG 14 -9.161 -2.250 -10.980 91 1HD ARG 14 HD3 ARG 14 -8.865 0.828 -11.198 92 2HD ARG 14 HD2 ARG 14 -9.971 -0.271 -12.123 93 HE ARG 14 HE ARG 14 -10.713 -0.593 -9.419 94 1HH1 ARG 14 HH1 ARG 14 -10.902 2.161 -11.500 95 2HH1 ARG 14 HH1 ARG 14 -11.521 3.195 -10.253 96 1HH2 ARG 14 HH2 ARG 14 -11.091 0.687 -7.835 97 2HH2 ARG 14 HH2 ARG 14 -11.621 2.321 -8.108 98 H LYS 15 HN LYS 15 -5.405 -2.622 -7.769 99 HA LYS 15 HA LYS 15 -4.111 -3.294 -10.292 100 1HB LYS 15 HB2 LYS 15 -3.423 -1.247 -9.161 101 2HB LYS 15 HB3 LYS 15 -2.966 -2.137 -7.685 102 1HG LYS 15 HG3 LYS 15 -1.044 -1.429 -9.052 103 2HG LYS 15 HG2 LYS 15 -1.062 -3.220 -8.899 104 1HD LYS 15 HD3 LYS 15 -1.968 -3.353 -11.235 105 2HD LYS 15 HD2 LYS 15 -2.089 -1.551 -11.261 106 1HE LYS 15 HE3 LYS 15 -0.097 -2.305 -12.542 107 2HE LYS 15 HE2 LYS 15 0.396 -1.347 -11.086 108 1HZ LYS 15 HZ1 LYS 15 0.361 -4.311 -11.315 109 2HZ LYS 15 HZ2 LYS 15 1.728 -3.304 -11.377 110 3HZ LYS 15 HZ3 LYS 15 0.821 -3.419 -9.946 111 H GLU 16 HN GLU 16 -4.202 -4.431 -6.801 112 HA GLU 16 HA GLU 16 -2.476 -6.712 -7.415 113 1HB GLU 16 HB2 GLU 16 -2.335 -7.261 -5.001 114 2HB GLU 16 HB3 GLU 16 -1.925 -5.554 -5.280 115 1HG GLU 16 HG3 GLU 16 -4.434 -5.094 -4.758 116 2HG GLU 16 HG2 GLU 16 -4.525 -6.759 -4.108 117 H THR 17 HN THR 17 -5.981 -6.434 -6.455 118 HA THR 17 HA THR 17 -6.159 -9.345 -7.035 119 HB THR 17 HB THR 17 -8.113 -9.692 -5.988 120 HG1 THR 17 HG1 THR 17 -9.411 -8.083 -5.044 121 1HG2 THR 17 HG2 THR 17 -6.116 -9.223 -4.455 122 2HG2 THR 17 HG2 THR 17 -6.740 -7.548 -4.232 123 3HG2 THR 17 HG2 THR 17 -7.708 -8.945 -3.666 124 H GLY 18 HN GLY 18 -7.333 -6.151 -7.963 125 1HA GLY 18 HA1 GLY 18 -7.616 -5.527 -10.188 126 2HA GLY 18 HA2 GLY 18 -8.201 -7.141 -10.614 127 H CYS 19 HN CYS 19 -9.514 -6.355 -7.632 128 HA CYS 19 HA CYS 19 -11.961 -5.166 -8.867 129 1HB CYS 19 HB2 CYS 19 -11.699 -7.620 -7.091 130 2HB CYS 19 HB3 CYS 19 -13.254 -6.780 -7.343 131 HA PRO 20 HA PRO 20 -11.045 -2.770 -5.105 132 1HB PRO 20 HB3 PRO 20 -13.021 -0.750 -5.375 133 2HB PRO 20 HB2 PRO 20 -11.696 -0.951 -6.579 134 1HG PRO 20 HG3 PRO 20 -14.378 -2.109 -6.703 135 2HG PRO 20 HG2 PRO 20 -13.669 -1.004 -7.933 136 1HD PRO 20 HD3 PRO 20 -13.502 -3.718 -8.291 137 2HD PRO 20 HD2 PRO 20 -11.992 -2.709 -8.540 138 H TYR 21 HN TYR 21 -12.286 -5.189 -4.330 139 HA TYR 21 HA TYR 21 -14.535 -4.441 -2.524 140 1HB TYR 21 HB3 TYR 21 -13.553 -7.307 -3.512 141 2HB TYR 21 HB2 TYR 21 -14.664 -7.040 -2.171 142 HD1 TYR 21 HD1 TYR 21 -15.429 -4.634 -4.959 143 HD2 TYR 21 HD2 TYR 21 -15.904 -8.615 -3.343 144 HE1 TYR 21 HE1 TYR 21 -17.318 -5.059 -6.471 145 HE2 TYR 21 HE2 TYR 21 -17.765 -9.005 -4.794 146 HH TYR 21 HH TYR 21 -18.952 -8.236 -6.553 147 H GLY 22 HN GLY 22 -13.155 -3.351 -0.803 148 1HA GLY 22 HA1 GLY 22 -11.835 -5.523 0.775 149 2HA GLY 22 HA2 GLY 22 -10.843 -4.079 0.281 150 H LYS 23 HN LYS 23 -10.854 -4.925 2.826 151 HA LYS 23 HA LYS 23 -12.415 -2.923 4.303 152 1HB LYS 23 HB2 LYS 23 -13.079 -5.334 4.737 153 2HB LYS 23 HB3 LYS 23 -11.393 -5.717 5.210 154 1HG LYS 23 HG2 LYS 23 -11.692 -4.107 7.206 155 2HG LYS 23 HG3 LYS 23 -13.340 -3.739 6.592 156 1HD LYS 23 HD3 LYS 23 -13.904 -6.196 6.800 157 2HD LYS 23 HD2 LYS 23 -12.319 -6.463 7.605 158 1HE LYS 23 HE2 LYS 23 -14.586 -4.581 8.595 159 2HE LYS 23 HE3 LYS 23 -14.246 -6.244 9.226 160 1HZ LYS 23 HZ1 LYS 23 -12.077 -5.483 9.909 161 2HZ LYS 23 HZ2 LYS 23 -12.393 -3.923 9.318 162 3HZ LYS 23 HZ3 LYS 23 -13.308 -4.545 10.607 163 H CYS 24 HN CYS 24 -11.254 -1.948 6.015 164 HA CYS 24 HA CYS 24 -8.308 -2.100 5.906 165 1HB CYS 24 HB2 CYS 24 -9.185 -0.153 4.579 166 2HB CYS 24 HB3 CYS 24 -10.112 0.392 5.980 167 H MET 25 HN MET 25 -7.365 -1.992 7.945 168 HA MET 25 HA MET 25 -9.160 -1.695 10.290 169 1HB MET 25 HB3 MET 25 -7.191 -4.036 9.738 170 2HB MET 25 HB2 MET 25 -8.043 -3.822 11.299 171 1HG MET 25 HG2 MET 25 -10.193 -4.328 10.324 172 2HG MET 25 HG3 MET 25 -9.532 -4.409 8.671 173 1HE MET 25 HE1 MET 25 -6.717 -6.023 8.967 174 2HE MET 25 HE2 MET 25 -7.435 -7.578 8.449 175 3HE MET 25 HE3 MET 25 -7.997 -6.037 7.708 176 H ASN 26 HN ASN 26 -7.590 0.138 9.311 177 HA ASN 26 HA ASN 26 -6.323 1.806 10.059 178 1HB ASN 26 HB2 ASN 26 -7.008 1.203 12.397 179 2HB ASN 26 HB3 ASN 26 -5.494 0.266 12.568 180 1HD2 ASN 26 HD2 ASN 26 -6.559 3.663 11.578 181 2HD2 ASN 26 HD2 ASN 26 -5.260 4.402 12.475 182 H ARG 27 HN ARG 27 -4.656 1.979 8.406 183 HA ARG 27 HA ARG 27 -2.793 2.012 7.498 184 1HB ARG 27 HB3 ARG 27 -1.005 0.716 9.536 185 2HB ARG 27 HB2 ARG 27 -0.840 2.157 8.471 186 1HG ARG 27 HG3 ARG 27 -2.781 3.086 10.136 187 2HG ARG 27 HG2 ARG 27 -2.198 1.780 11.197 188 1HD ARG 27 HD2 ARG 27 0.034 2.854 11.398 189 2HD ARG 27 HD3 ARG 27 -0.441 4.094 10.149 190 HE ARG 27 HE ARG 27 -2.295 3.689 12.465 191 1HH1 ARG 27 HH1 ARG 27 0.306 5.756 11.300 192 2HH1 ARG 27 HH1 ARG 27 -0.239 7.116 12.200 193 1HH2 ARG 27 HH2 ARG 27 -2.780 5.351 13.723 194 2HH2 ARG 27 HH2 ARG 27 -2.032 6.888 13.549 195 H LYS 28 HN LYS 28 -4.265 -0.840 7.759 196 HA LYS 28 HA LYS 28 -2.599 -2.112 5.706 197 1HB LYS 28 HB3 LYS 28 -2.012 -2.952 8.092 198 2HB LYS 28 HB2 LYS 28 -3.659 -3.636 8.177 199 1HG LYS 28 HG3 LYS 28 -2.963 -4.989 5.988 200 2HG LYS 28 HG2 LYS 28 -1.331 -4.275 6.219 201 1HD LYS 28 HD2 LYS 28 -1.233 -6.458 7.171 202 2HD LYS 28 HD3 LYS 28 -1.285 -5.311 8.554 203 1HE LYS 28 HE2 LYS 28 -2.732 -7.268 9.020 204 2HE LYS 28 HE3 LYS 28 -3.806 -5.836 8.777 205 1HZ LYS 28 HZ1 LYS 28 -3.129 -7.905 6.746 206 2HZ LYS 28 HZ2 LYS 28 -4.587 -7.765 7.608 207 3HZ LYS 28 HZ3 LYS 28 -4.137 -6.560 6.500 208 H CYS 29 HN CYS 29 -3.801 -3.096 4.132 209 HA CYS 29 HA CYS 29 -6.727 -3.064 4.277 210 1HB CYS 29 HB2 CYS 29 -4.894 -3.735 1.862 211 2HB CYS 29 HB3 CYS 29 -6.679 -3.578 1.832 212 H LYS 30 HN LYS 30 -7.962 -4.906 3.962 213 HA LYS 30 HA LYS 30 -6.669 -7.528 3.470 214 1HB LYS 30 HB3 LYS 30 -7.428 -7.436 5.836 215 2HB LYS 30 HB2 LYS 30 -9.044 -6.862 5.322 216 1HG LYS 30 HG2 LYS 30 -9.451 -9.096 4.201 217 2HG LYS 30 HG3 LYS 30 -7.765 -9.591 4.596 218 1HD LYS 30 HD3 LYS 30 -9.327 -10.620 6.176 219 2HD LYS 30 HD2 LYS 30 -8.257 -9.461 7.028 220 1HE LYS 30 HE2 LYS 30 -10.124 -7.768 7.102 221 2HE LYS 30 HE3 LYS 30 -11.184 -8.904 6.171 222 1HZ LYS 30 HZ1 LYS 30 -10.982 -10.470 7.969 223 2HZ LYS 30 HZ2 LYS 30 -9.985 -9.405 8.838 224 3HZ LYS 30 HZ3 LYS 30 -11.596 -8.982 8.509 225 H CYS 31 HN CYS 31 -7.129 -7.640 1.215 226 HA CYS 31 HA CYS 31 -9.766 -6.585 0.398 227 1HB CYS 31 HB2 CYS 31 -7.477 -5.671 -0.522 228 2HB CYS 31 HB3 CYS 31 -7.562 -7.064 -1.623 229 H ASN 32 HN ASN 32 -10.692 -7.538 -1.625 230 HA ASN 32 HA ASN 32 -10.694 -10.491 -1.567 231 1HB ASN 32 HB2 ASN 32 -12.594 -9.447 -0.128 232 2HB ASN 32 HB3 ASN 32 -13.208 -8.595 -1.581 233 1HD2 ASN 32 HD2 ASN 32 -12.138 -12.034 -0.877 234 2HD2 ASN 32 HD2 ASN 32 -13.629 -12.662 -1.565 235 H ARG 33 HN ARG 33 -12.566 -10.878 -3.653 236 HA ARG 33 HA ARG 33 -11.536 -9.382 -5.961 237 1HB ARG 33 HB2 ARG 33 -11.265 -11.353 -7.228 238 2HB ARG 33 HB3 ARG 33 -10.632 -11.798 -5.636 239 1HG ARG 33 HG2 ARG 33 -13.396 -12.640 -6.795 240 2HG ARG 33 HG3 ARG 33 -11.889 -13.565 -6.665 241 1HD ARG 33 HD2 ARG 33 -13.046 -14.454 -4.994 242 2HD ARG 33 HD3 ARG 33 -12.056 -13.261 -4.063 243 HE ARG 33 HE ARG 33 -14.289 -11.699 -4.295 244 1HH1 ARG 33 HH1 ARG 33 -14.330 -15.321 -3.900 245 2HH1 ARG 33 HH1 ARG 33 -15.731 -15.229 -2.908 246 1HH2 ARG 33 HH2 ARG 33 -15.871 -11.851 -2.737 247 2HH2 ARG 33 HH2 ARG 33 -16.581 -13.378 -2.261 248 H CYS 34 HN CYS 34 -13.249 -9.521 -7.802 249 HA CYS 34 HA CYS 34 -15.982 -9.421 -6.751 250 1HB CYS 34 HB3 CYS 34 -16.569 -7.994 -8.593 251 2HB CYS 34 HB2 CYS 34 -15.340 -7.282 -7.533 252 1HN NH2 35 HT1 CYS 34 -15.635 -11.879 -6.874 253 2HN NH2 35 HT2 CYS 34 -16.155 -12.588 -8.384 Start of MODEL 3 1 2H ALA 1 HN2 ALA 1 0.756 -2.617 1.935 2 H ALA 1 HN ALA 1 -0.837 -3.123 1.761 3 3H ALA 1 HN3 ALA 1 0.199 -3.107 0.394 4 HA ALA 1 HA ALA 1 0.340 -0.622 0.730 5 1HB ALA 1 HB1 ALA 1 -1.230 -1.699 -0.988 6 2HB ALA 1 HB2 ALA 1 -2.524 -1.823 0.262 7 3HB ALA 1 HB3 ALA 1 -1.959 -0.219 -0.310 8 H SER 2 HN SER 2 -1.274 1.296 1.693 9 HA SER 2 HA SER 2 -2.378 0.458 4.265 10 1HB SER 2 HB3 SER 2 0.010 1.353 4.621 11 2HB SER 2 HB2 SER 2 -0.574 2.953 4.074 12 HG SER 2 HG SER 2 -1.744 1.383 6.203 13 H CYS 3 HN CYS 3 -3.756 2.240 5.176 14 HA CYS 3 HA CYS 3 -5.056 4.029 3.310 15 1HB CYS 3 HB2 CYS 3 -7.355 2.750 3.523 16 2HB CYS 3 HB3 CYS 3 -6.085 2.047 2.517 17 H ARG 4 HN ARG 4 -7.295 4.696 4.570 18 HA ARG 4 HA ARG 4 -6.763 4.999 7.472 19 1HB ARG 4 HB2 ARG 4 -7.867 7.227 5.610 20 2HB ARG 4 HB3 ARG 4 -7.834 7.286 7.398 21 1HG ARG 4 HG3 ARG 4 -5.402 7.397 5.519 22 2HG ARG 4 HG2 ARG 4 -6.194 8.684 6.466 23 1HD ARG 4 HD3 ARG 4 -4.466 8.315 7.917 24 2HD ARG 4 HD2 ARG 4 -5.578 7.064 8.578 25 HE ARG 4 HE ARG 4 -4.395 5.376 7.012 26 1HH1 ARG 4 HH2 ARG 4 -2.553 8.381 7.569 27 2HH1 ARG 4 HH2 ARG 4 -1.091 7.598 7.119 28 1HH2 ARG 4 HH1 ARG 4 -2.631 4.526 6.555 29 2HH2 ARG 4 HH1 ARG 4 -1.107 5.296 6.788 30 H THR 5 HN THR 5 -9.210 5.445 4.813 31 HA THR 5 HA THR 5 -11.182 3.924 6.361 32 HB THR 5 HB THR 5 -12.901 5.091 4.957 33 HG1 THR 5 HG1 THR 5 -12.058 7.144 4.102 34 1HG2 THR 5 HG2 THR 5 -12.303 5.905 7.280 35 2HG2 THR 5 HG2 THR 5 -11.056 6.994 6.582 36 3HG2 THR 5 HG2 THR 5 -12.789 7.259 6.204 37 HA PRO 6 HA PRO 6 -10.553 0.957 3.134 38 1HB PRO 6 HB2 PRO 6 -13.472 0.315 2.771 39 2HB PRO 6 HB3 PRO 6 -12.136 -0.678 3.412 40 1HG PRO 6 HG3 PRO 6 -14.098 0.380 5.058 41 2HG PRO 6 HG2 PRO 6 -12.382 0.233 5.600 42 1HD PRO 6 HD3 PRO 6 -13.739 2.736 4.465 43 2HD PRO 6 HD2 PRO 6 -12.734 2.517 5.976 44 H LYS 7 HN LYS 7 -12.476 3.696 2.137 45 HA LYS 7 HA LYS 7 -12.656 3.099 -0.666 46 1HB LYS 7 HB3 LYS 7 -13.037 5.788 0.757 47 2HB LYS 7 HB2 LYS 7 -13.606 5.331 -0.881 48 1HG LYS 7 HG3 LYS 7 -14.572 4.176 1.815 49 2HG LYS 7 HG2 LYS 7 -15.430 5.371 0.801 50 1HD LYS 7 HD3 LYS 7 -14.804 2.461 -0.046 51 2HD LYS 7 HD2 LYS 7 -16.340 3.028 0.671 52 1HE LYS 7 HE3 LYS 7 -15.218 4.007 -2.040 53 2HE LYS 7 HE2 LYS 7 -16.520 2.776 -1.798 54 1HZ LYS 7 HZ1 LYS 7 -17.408 4.942 -2.240 55 2HZ LYS 7 HZ2 LYS 7 -17.831 4.435 -0.676 56 3HZ LYS 7 HZ3 LYS 7 -16.615 5.602 -0.890 57 H ASP 8 HN ASP 8 -9.889 3.960 1.246 58 HA ASP 8 HA ASP 8 -8.623 5.531 -0.856 59 1HB ASP 8 HB3 ASP 8 -7.474 4.608 1.858 60 2HB ASP 8 HB2 ASP 8 -6.781 5.833 0.729 61 H CYS 9 HN CYS 9 -9.008 2.089 -0.253 62 HA CYS 9 HA CYS 9 -6.345 1.598 -1.484 63 1HB CYS 9 HB3 CYS 9 -7.015 0.861 0.972 64 2HB CYS 9 HB2 CYS 9 -7.770 -0.527 0.185 65 H ALA 10 HN ALA 10 -9.326 1.924 -2.500 66 HA ALA 10 HA ALA 10 -10.221 -0.199 -3.939 67 1HB ALA 10 HB1 ALA 10 -11.452 1.861 -3.465 68 2HB ALA 10 HB2 ALA 10 -10.456 2.764 -4.651 69 3HB ALA 10 HB3 ALA 10 -11.541 1.425 -5.192 70 H ASP 11 HN ASP 11 -7.769 2.189 -4.921 71 HA ASP 11 HA ASP 11 -7.366 1.113 -7.577 72 1HB ASP 11 HB2 ASP 11 -5.788 3.330 -6.161 73 2HB ASP 11 HB3 ASP 11 -5.678 2.876 -7.907 74 HA PRO 12 HA PRO 12 -3.360 -0.906 -5.695 75 1HB PRO 12 HB3 PRO 12 -4.325 -0.921 -2.741 76 2HB PRO 12 HB2 PRO 12 -2.628 -0.955 -3.352 77 1HG PRO 12 HG2 PRO 12 -3.857 1.311 -2.361 78 2HG PRO 12 HG3 PRO 12 -2.756 1.423 -3.815 79 1HD PRO 12 HD2 PRO 12 -5.783 1.493 -3.720 80 2HD PRO 12 HD3 PRO 12 -4.595 2.356 -4.786 81 H CYS 13 HN CYS 13 -6.557 -1.480 -4.056 82 HA CYS 13 HA CYS 13 -6.372 -4.305 -4.223 83 1HB CYS 13 HB3 CYS 13 -7.999 -2.850 -2.702 84 2HB CYS 13 HB2 CYS 13 -8.970 -2.756 -4.029 85 H ARG 14 HN ARG 14 -8.098 -1.987 -6.524 86 HA ARG 14 HA ARG 14 -8.808 -4.088 -8.411 87 1HB ARG 14 HB3 ARG 14 -10.121 -2.101 -8.180 88 2HB ARG 14 HB2 ARG 14 -8.736 -1.030 -8.592 89 1HG ARG 14 HG3 ARG 14 -8.644 -1.900 -10.880 90 2HG ARG 14 HG2 ARG 14 -9.896 -3.128 -10.481 91 1HD ARG 14 HD2 ARG 14 -10.537 -1.032 -11.962 92 2HD ARG 14 HD3 ARG 14 -11.724 -1.478 -10.677 93 HE ARG 14 HE ARG 14 -9.970 0.240 -9.358 94 1HH1 ARG 14 HH2 ARG 14 -12.232 0.504 -11.992 95 2HH1 ARG 14 HH2 ARG 14 -12.343 2.229 -11.868 96 1HH2 ARG 14 HH1 ARG 14 -9.850 2.440 -9.477 97 2HH2 ARG 14 HH1 ARG 14 -11.000 3.321 -10.435 98 H LYS 15 HN LYS 15 -5.819 -2.235 -7.905 99 HA LYS 15 HA LYS 15 -4.862 -3.109 -10.517 100 1HB LYS 15 HB2 LYS 15 -3.678 -1.485 -8.266 101 2HB LYS 15 HB3 LYS 15 -2.533 -2.284 -9.379 102 1HG LYS 15 HG3 LYS 15 -2.900 -0.041 -10.117 103 2HG LYS 15 HG2 LYS 15 -3.419 -1.241 -11.356 104 1HD LYS 15 HD3 LYS 15 -5.829 -0.786 -10.653 105 2HD LYS 15 HD2 LYS 15 -5.177 0.396 -9.458 106 1HE LYS 15 HE3 LYS 15 -4.239 1.770 -11.335 107 2HE LYS 15 HE2 LYS 15 -5.006 0.630 -12.522 108 1HZ LYS 15 HZ1 LYS 15 -6.376 2.541 -12.064 109 2HZ LYS 15 HZ2 LYS 15 -7.135 1.126 -11.509 110 3HZ LYS 15 HZ3 LYS 15 -6.404 2.186 -10.402 111 H GLU 16 HN GLU 16 -4.689 -4.400 -7.152 112 HA GLU 16 HA GLU 16 -2.831 -6.495 -8.045 113 1HB GLU 16 HB3 GLU 16 -2.195 -7.073 -5.825 114 2HB GLU 16 HB2 GLU 16 -2.132 -5.306 -5.945 115 1HG GLU 16 HG2 GLU 16 -4.638 -5.544 -4.890 116 2HG GLU 16 HG3 GLU 16 -4.042 -7.175 -4.442 117 H THR 17 HN THR 17 -6.258 -6.587 -6.567 118 HA THR 17 HA THR 17 -6.185 -9.473 -7.279 119 HB THR 17 HB THR 17 -8.367 -9.745 -6.270 120 HG1 THR 17 HG1 THR 17 -9.326 -8.112 -5.145 121 1HG2 THR 17 HG2 THR 17 -7.594 -9.270 -3.888 122 2HG2 THR 17 HG2 THR 17 -6.349 -10.086 -4.899 123 3HG2 THR 17 HG2 THR 17 -6.219 -8.335 -4.540 124 H GLY 18 HN GLY 18 -7.509 -6.460 -8.215 125 1HA GLY 18 HA1 GLY 18 -8.040 -5.884 -10.448 126 2HA GLY 18 HA2 GLY 18 -8.672 -7.491 -10.723 127 H CYS 19 HN CYS 19 -9.724 -6.895 -7.827 128 HA CYS 19 HA CYS 19 -12.398 -5.933 -8.733 129 1HB CYS 19 HB2 CYS 19 -11.529 -7.923 -6.551 130 2HB CYS 19 HB3 CYS 19 -13.215 -7.380 -6.805 131 HA PRO 20 HA PRO 20 -11.088 -2.649 -5.850 132 1HB PRO 20 HB3 PRO 20 -13.155 -0.830 -6.086 133 2HB PRO 20 HB2 PRO 20 -12.137 -1.300 -7.479 134 1HG PRO 20 HG3 PRO 20 -14.729 -2.455 -6.823 135 2HG PRO 20 HG2 PRO 20 -14.245 -1.717 -8.398 136 1HD PRO 20 HD2 PRO 20 -14.082 -4.466 -8.015 137 2HD PRO 20 HD3 PRO 20 -12.751 -3.576 -8.897 138 H TYR 21 HN TYR 21 -12.071 -4.965 -4.240 139 HA TYR 21 HA TYR 21 -13.769 -3.606 -2.183 140 1HB TYR 21 HB3 TYR 21 -13.503 -6.597 -2.808 141 2HB TYR 21 HB2 TYR 21 -14.630 -5.868 -1.597 142 HD1 TYR 21 HD1 TYR 21 -15.164 -7.856 -3.539 143 HD2 TYR 21 HD2 TYR 21 -15.643 -3.597 -3.922 144 HE1 TYR 21 HE1 TYR 21 -16.954 -8.228 -5.149 145 HE2 TYR 21 HE2 TYR 21 -17.407 -3.971 -5.609 146 HH TYR 21 HH TYR 21 -18.536 -7.261 -6.424 147 H GLY 22 HN GLY 22 -12.197 -2.812 -0.828 148 1HA GLY 22 HA1 GLY 22 -10.443 -4.878 0.465 149 2HA GLY 22 HA2 GLY 22 -9.853 -3.225 0.121 150 H LYS 23 HN LYS 23 -10.356 -4.820 2.726 151 HA LYS 23 HA LYS 23 -12.182 -2.906 4.068 152 1HB LYS 23 HB2 LYS 23 -11.548 -5.820 4.866 153 2HB LYS 23 HB3 LYS 23 -12.598 -4.787 5.763 154 1HG LYS 23 HG3 LYS 23 -14.246 -4.536 3.992 155 2HG LYS 23 HG2 LYS 23 -13.382 -5.688 2.931 156 1HD LYS 23 HD3 LYS 23 -13.561 -7.451 4.667 157 2HD LYS 23 HD2 LYS 23 -14.496 -6.331 5.716 158 1HE LYS 23 HE2 LYS 23 -15.361 -7.228 2.876 159 2HE LYS 23 HE3 LYS 23 -15.995 -7.894 4.436 160 1HZ LYS 23 HZ1 LYS 23 -17.425 -6.207 3.529 161 2HZ LYS 23 HZ2 LYS 23 -16.769 -5.694 5.010 162 3HZ LYS 23 HZ3 LYS 23 -16.173 -5.058 3.551 163 H CYS 24 HN CYS 24 -11.261 -1.576 5.367 164 HA CYS 24 HA CYS 24 -8.401 -1.875 6.009 165 1HB CYS 24 HB2 CYS 24 -9.116 -0.132 4.420 166 2HB CYS 24 HB3 CYS 24 -10.136 0.608 5.669 167 H MET 25 HN MET 25 -8.109 -2.590 7.951 168 HA MET 25 HA MET 25 -9.420 -1.318 10.283 169 1HB MET 25 HB3 MET 25 -8.674 -4.276 9.844 170 2HB MET 25 HB2 MET 25 -8.973 -3.638 11.475 171 1HG MET 25 HG2 MET 25 -10.980 -3.790 9.185 172 2HG MET 25 HG3 MET 25 -10.941 -4.772 10.673 173 1HE MET 25 HE1 MET 25 -10.167 -2.338 12.896 174 2HE MET 25 HE2 MET 25 -11.847 -2.150 13.493 175 3HE MET 25 HE3 MET 25 -11.223 -3.784 13.103 176 H ASN 26 HN ASN 26 -7.997 -0.277 11.499 177 HA ASN 26 HA ASN 26 -6.190 0.683 12.181 178 1HB ASN 26 HB2 ASN 26 -6.175 -1.952 13.036 179 2HB ASN 26 HB3 ASN 26 -4.481 -1.820 12.483 180 1HD2 ASN 26 HD2 ASN 26 -3.603 0.624 13.291 181 2HD2 ASN 26 HD2 ASN 26 -3.951 0.872 14.990 182 H ARG 27 HN ARG 27 -6.251 0.688 9.379 183 HA ARG 27 HA ARG 27 -5.213 1.692 7.758 184 1HB ARG 27 HB2 ARG 27 -2.645 1.579 9.220 185 2HB ARG 27 HB3 ARG 27 -2.947 2.558 7.762 186 1HG ARG 27 HG3 ARG 27 -4.383 4.085 8.785 187 2HG ARG 27 HG2 ARG 27 -4.736 3.063 10.202 188 1HD ARG 27 HD3 ARG 27 -2.014 4.392 9.683 189 2HD ARG 27 HD2 ARG 27 -3.311 4.920 10.852 190 HE ARG 27 HE ARG 27 -2.656 2.075 11.194 191 1HH1 ARG 27 HH1 ARG 27 -1.403 5.269 11.908 192 2HH1 ARG 27 HH1 ARG 27 -0.347 4.712 13.151 193 1HH2 ARG 27 HH2 ARG 27 -1.168 1.376 12.597 194 2HH2 ARG 27 HH2 ARG 27 -0.308 2.471 13.640 195 H LYS 28 HN LYS 28 -5.202 -1.492 8.165 196 HA LYS 28 HA LYS 28 -3.257 -2.091 5.979 197 1HB LYS 28 HB2 LYS 28 -4.465 -3.962 8.122 198 2HB LYS 28 HB3 LYS 28 -3.402 -4.485 6.800 199 1HG LYS 28 HG2 LYS 28 -1.497 -3.588 7.606 200 2HG LYS 28 HG3 LYS 28 -2.286 -2.302 8.578 201 1HD LYS 28 HD3 LYS 28 -2.559 -5.272 9.291 202 2HD LYS 28 HD2 LYS 28 -1.221 -4.227 9.894 203 1HE LYS 28 HE3 LYS 28 -2.776 -2.689 11.016 204 2HE LYS 28 HE2 LYS 28 -4.207 -3.589 10.379 205 1HZ LYS 28 HZ1 LYS 28 -3.466 -5.534 11.564 206 2HZ LYS 28 HZ2 LYS 28 -2.122 -4.695 12.180 207 3HZ LYS 28 HZ3 LYS 28 -3.694 -4.216 12.611 208 H CYS 29 HN CYS 29 -4.102 -2.671 3.898 209 HA CYS 29 HA CYS 29 -6.974 -2.852 3.684 210 1HB CYS 29 HB3 CYS 29 -5.370 -3.225 1.118 211 2HB CYS 29 HB2 CYS 29 -6.845 -2.375 1.551 212 H LYS 30 HN LYS 30 -7.895 -4.797 4.119 213 HA LYS 30 HA LYS 30 -6.665 -7.319 3.249 214 1HB LYS 30 HB3 LYS 30 -9.311 -6.719 4.742 215 2HB LYS 30 HB2 LYS 30 -8.580 -8.342 4.473 216 1HG LYS 30 HG2 LYS 30 -6.582 -7.633 5.764 217 2HG LYS 30 HG3 LYS 30 -7.280 -6.011 6.075 218 1HD LYS 30 HD2 LYS 30 -8.920 -8.441 6.930 219 2HD LYS 30 HD3 LYS 30 -7.397 -8.058 7.793 220 1HE LYS 30 HE3 LYS 30 -9.040 -6.974 9.090 221 2HE LYS 30 HE2 LYS 30 -8.231 -5.655 8.151 222 1HZ LYS 30 HZ1 LYS 30 -10.829 -6.965 7.517 223 2HZ LYS 30 HZ2 LYS 30 -10.608 -5.430 8.210 224 3HZ LYS 30 HZ3 LYS 30 -10.096 -5.725 6.618 225 H CYS 31 HN CYS 31 -6.686 -7.290 1.015 226 HA CYS 31 HA CYS 31 -8.893 -6.303 -0.532 227 1HB CYS 31 HB2 CYS 31 -6.603 -5.729 -1.067 228 2HB CYS 31 HB3 CYS 31 -6.197 -7.428 -1.410 229 H ASN 32 HN ASN 32 -10.273 -7.348 -1.861 230 HA ASN 32 HA ASN 32 -10.504 -10.277 -1.483 231 1HB ASN 32 HB3 ASN 32 -12.706 -8.079 -1.707 232 2HB ASN 32 HB2 ASN 32 -13.021 -9.779 -1.274 233 1HD2 ASN 32 HD2 ASN 32 -11.932 -6.793 0.129 234 2HD2 ASN 32 HD2 ASN 32 -11.663 -7.510 1.691 235 H ARG 33 HN ARG 33 -12.260 -11.150 -2.969 236 HA ARG 33 HA ARG 33 -11.552 -10.975 -5.724 237 1HB ARG 33 HB2 ARG 33 -12.512 -13.245 -5.667 238 2HB ARG 33 HB3 ARG 33 -11.664 -13.026 -4.143 239 1HG ARG 33 HG3 ARG 33 -14.756 -12.946 -4.526 240 2HG ARG 33 HG2 ARG 33 -13.730 -14.226 -3.853 241 1HD ARG 33 HD3 ARG 33 -14.773 -13.381 -2.006 242 2HD ARG 33 HD2 ARG 33 -13.157 -12.605 -1.865 243 HE ARG 33 HE ARG 33 -14.486 -10.613 -3.224 244 1HH1 ARG 33 HH1 ARG 33 -15.954 -12.580 -0.634 245 2HH1 ARG 33 HH1 ARG 33 -17.220 -11.420 -0.410 246 1HH2 ARG 33 HH2 ARG 33 -16.216 -9.367 -2.922 247 2HH2 ARG 33 HH2 ARG 33 -17.287 -9.600 -1.559 248 H CYS 34 HN CYS 34 -13.605 -11.404 -7.350 249 HA CYS 34 HA CYS 34 -16.137 -10.564 -6.568 250 1HB CYS 34 HB2 CYS 34 -16.460 -8.651 -8.030 251 2HB CYS 34 HB3 CYS 34 -15.149 -8.261 -6.898 252 1HN NH2 35 HT1 CYS 34 -17.499 -10.698 -8.842 253 2HN NH2 35 HT2 CYS 34 -16.858 -11.862 -9.980 Start of MODEL 4 1 2H ALA 1 HN2 ALA 1 -3.205 -3.773 1.065 2 H ALA 1 HN ALA 1 -1.888 -4.304 0.123 3 3H ALA 1 HN3 ALA 1 -1.770 -4.203 1.823 4 HA ALA 1 HA ALA 1 -0.611 -2.313 0.799 5 1HB ALA 1 HB1 ALA 1 -1.954 -2.364 -1.343 6 2HB ALA 1 HB2 ALA 1 -3.411 -1.792 -0.457 7 3HB ALA 1 HB3 ALA 1 -1.996 -0.708 -0.689 8 H SER 2 HN SER 2 -1.309 0.315 1.554 9 HA SER 2 HA SER 2 -2.647 -0.015 4.151 10 1HB SER 2 HB3 SER 2 -0.260 0.634 4.279 11 2HB SER 2 HB2 SER 2 -0.580 2.114 3.320 12 HG SER 2 HG SER 2 -1.997 1.578 5.775 13 H CYS 3 HN CYS 3 -4.041 1.804 4.931 14 HA CYS 3 HA CYS 3 -5.256 3.492 2.872 15 1HB CYS 3 HB2 CYS 3 -7.628 2.534 3.540 16 2HB CYS 3 HB3 CYS 3 -6.584 1.536 2.527 17 H ARG 4 HN ARG 4 -7.089 4.814 3.925 18 HA ARG 4 HA ARG 4 -6.376 5.581 6.691 19 1HB ARG 4 HB3 ARG 4 -7.786 7.322 4.548 20 2HB ARG 4 HB2 ARG 4 -7.226 7.773 6.189 21 1HG ARG 4 HG3 ARG 4 -4.835 7.238 5.373 22 2HG ARG 4 HG2 ARG 4 -5.551 6.924 3.756 23 1HD ARG 4 HD2 ARG 4 -4.542 9.138 3.750 24 2HD ARG 4 HD3 ARG 4 -6.338 9.316 3.623 25 HE ARG 4 HE ARG 4 -4.940 9.438 6.336 26 1HH1 ARG 4 HH1 ARG 4 -6.815 11.185 3.910 27 2HH1 ARG 4 HH1 ARG 4 -6.818 12.636 4.871 28 1HH2 ARG 4 HH2 ARG 4 -5.240 11.153 7.567 29 2HH2 ARG 4 HH2 ARG 4 -6.028 12.580 6.960 30 H THR 5 HN THR 5 -9.044 5.482 4.336 31 HA THR 5 HA THR 5 -10.842 4.103 6.180 32 HB THR 5 HB THR 5 -12.783 5.197 5.021 33 HG1 THR 5 HG1 THR 5 -11.560 7.332 4.101 34 1HG2 THR 5 HG2 THR 5 -10.759 7.228 6.198 35 2HG2 THR 5 HG2 THR 5 -12.547 7.437 6.090 36 3HG2 THR 5 HG2 THR 5 -11.849 6.182 7.174 37 HA PRO 6 HA PRO 6 -10.681 0.993 2.997 38 1HB PRO 6 HB3 PRO 6 -13.764 0.982 2.818 39 2HB PRO 6 HB2 PRO 6 -12.638 -0.414 3.034 40 1HG PRO 6 HG2 PRO 6 -13.979 0.589 5.183 41 2HG PRO 6 HG3 PRO 6 -12.201 0.280 5.328 42 1HD PRO 6 HD2 PRO 6 -13.549 2.973 4.736 43 2HD PRO 6 HD3 PRO 6 -12.301 2.518 6.002 44 H LYS 7 HN LYS 7 -12.500 3.809 1.970 45 HA LYS 7 HA LYS 7 -12.760 3.099 -0.817 46 1HB LYS 7 HB3 LYS 7 -13.300 5.716 0.656 47 2HB LYS 7 HB2 LYS 7 -13.712 5.365 -1.061 48 1HG LYS 7 HG3 LYS 7 -15.120 3.446 -0.370 49 2HG LYS 7 HG2 LYS 7 -14.781 3.780 1.361 50 1HD LYS 7 HD3 LYS 7 -15.796 6.044 1.143 51 2HD LYS 7 HD2 LYS 7 -16.161 5.714 -0.591 52 1HE LYS 7 HE3 LYS 7 -17.641 3.800 0.063 53 2HE LYS 7 HE2 LYS 7 -17.282 4.105 1.811 54 1HZ LYS 7 HZ1 LYS 7 -18.218 6.302 1.568 55 2HZ LYS 7 HZ2 LYS 7 -18.560 6.017 -0.072 56 3HZ LYS 7 HZ3 LYS 7 -19.338 5.102 1.129 57 H ASP 8 HN ASP 8 -9.969 4.008 0.971 58 HA ASP 8 HA ASP 8 -8.735 5.515 -1.222 59 1HB ASP 8 HB3 ASP 8 -7.768 4.588 1.570 60 2HB ASP 8 HB2 ASP 8 -6.754 5.551 0.427 61 H CYS 9 HN CYS 9 -9.344 2.184 -0.607 62 HA CYS 9 HA CYS 9 -6.713 1.439 -1.778 63 1HB CYS 9 HB3 CYS 9 -7.540 0.806 0.649 64 2HB CYS 9 HB2 CYS 9 -8.328 -0.583 -0.149 65 H ALA 10 HN ALA 10 -9.689 1.954 -2.877 66 HA ALA 10 HA ALA 10 -10.466 -0.212 -4.353 67 1HB ALA 10 HB1 ALA 10 -11.873 1.437 -5.593 68 2HB ALA 10 HB2 ALA 10 -11.852 1.760 -3.834 69 3HB ALA 10 HB3 ALA 10 -10.871 2.785 -4.931 70 H ASP 11 HN ASP 11 -8.343 2.463 -5.343 71 HA ASP 11 HA ASP 11 -7.729 1.440 -7.959 72 1HB ASP 11 HB2 ASP 11 -6.435 3.758 -6.415 73 2HB ASP 11 HB3 ASP 11 -6.208 3.403 -8.170 74 HA PRO 12 HA PRO 12 -3.524 -0.082 -6.137 75 1HB PRO 12 HB2 PRO 12 -3.118 -0.415 -3.432 76 2HB PRO 12 HB3 PRO 12 -2.981 1.178 -4.255 77 1HG PRO 12 HG3 PRO 12 -5.393 0.323 -2.874 78 2HG PRO 12 HG2 PRO 12 -4.407 1.813 -2.554 79 1HD PRO 12 HD2 PRO 12 -6.539 1.996 -4.233 80 2HD PRO 12 HD3 PRO 12 -4.963 2.731 -4.740 81 H CYS 13 HN CYS 13 -6.649 -1.109 -4.459 82 HA CYS 13 HA CYS 13 -5.830 -3.872 -4.529 83 1HB CYS 13 HB2 CYS 13 -7.257 -3.184 -2.687 84 2HB CYS 13 HB3 CYS 13 -8.608 -2.875 -3.798 85 H ARG 14 HN ARG 14 -7.589 -1.764 -6.782 86 HA ARG 14 HA ARG 14 -8.332 -3.767 -8.674 87 1HB ARG 14 HB3 ARG 14 -9.345 -1.610 -8.603 88 2HB ARG 14 HB2 ARG 14 -7.793 -0.759 -8.932 89 1HG ARG 14 HG3 ARG 14 -7.747 -1.817 -11.227 90 2HG ARG 14 HG2 ARG 14 -9.197 -2.779 -10.765 91 1HD ARG 14 HD3 ARG 14 -9.142 0.279 -11.367 92 2HD ARG 14 HD2 ARG 14 -9.938 -1.075 -12.278 93 HE ARG 14 HE ARG 14 -10.763 -0.865 -9.423 94 1HH1 ARG 14 HH1 ARG 14 -11.501 0.230 -12.690 95 2HH1 ARG 14 HH1 ARG 14 -13.062 0.788 -12.215 96 1HH2 ARG 14 HH2 ARG 14 -12.781 -0.058 -8.925 97 2HH2 ARG 14 HH2 ARG 14 -13.792 0.581 -10.183 98 H LYS 15 HN LYS 15 -5.334 -2.305 -7.899 99 HA LYS 15 HA LYS 15 -4.029 -2.985 -10.379 100 1HB LYS 15 HB2 LYS 15 -3.732 -0.834 -9.048 101 2HB LYS 15 HB3 LYS 15 -2.775 -1.742 -7.846 102 1HG LYS 15 HG3 LYS 15 -1.221 -2.385 -9.847 103 2HG LYS 15 HG2 LYS 15 -2.178 -1.234 -10.842 104 1HD LYS 15 HD3 LYS 15 -0.486 -0.626 -8.350 105 2HD LYS 15 HD2 LYS 15 -0.109 -0.152 -10.041 106 1HE LYS 15 HE3 LYS 15 -2.467 0.959 -8.331 107 2HE LYS 15 HE2 LYS 15 -0.891 1.772 -8.652 108 1HZ LYS 15 HZ1 LYS 15 -2.615 2.559 -10.085 109 2HZ LYS 15 HZ2 LYS 15 -1.405 1.778 -10.985 110 3HZ LYS 15 HZ3 LYS 15 -2.889 1.002 -10.704 111 H GLU 16 HN GLU 16 -4.001 -4.047 -6.927 112 HA GLU 16 HA GLU 16 -2.044 -6.167 -7.480 113 1HB GLU 16 HB2 GLU 16 -1.736 -6.645 -5.136 114 2HB GLU 16 HB3 GLU 16 -1.671 -4.886 -5.324 115 1HG GLU 16 HG3 GLU 16 -4.343 -5.255 -4.747 116 2HG GLU 16 HG2 GLU 16 -3.714 -6.715 -3.922 117 H THR 17 HN THR 17 -5.629 -6.120 -6.718 118 HA THR 17 HA THR 17 -5.566 -9.034 -7.209 119 HB THR 17 HB THR 17 -7.484 -9.389 -6.033 120 HG1 THR 17 HG1 THR 17 -7.843 -6.676 -5.335 121 1HG2 THR 17 HG2 THR 17 -6.006 -7.248 -4.386 122 2HG2 THR 17 HG2 THR 17 -6.920 -8.661 -3.776 123 3HG2 THR 17 HG2 THR 17 -5.372 -8.921 -4.662 124 H GLY 18 HN GLY 18 -7.587 -6.198 -7.717 125 1HA GLY 18 HA1 GLY 18 -7.968 -5.620 -10.160 126 2HA GLY 18 HA2 GLY 18 -8.644 -7.263 -10.289 127 H CYS 19 HN CYS 19 -9.711 -6.988 -7.444 128 HA CYS 19 HA CYS 19 -12.181 -5.517 -8.212 129 1HB CYS 19 HB2 CYS 19 -11.790 -7.771 -6.178 130 2HB CYS 19 HB3 CYS 19 -13.343 -6.918 -6.453 131 HA PRO 20 HA PRO 20 -10.732 -2.707 -5.058 132 1HB PRO 20 HB2 PRO 20 -12.540 -0.724 -5.539 133 2HB PRO 20 HB3 PRO 20 -11.454 -1.259 -6.867 134 1HG PRO 20 HG3 PRO 20 -14.341 -2.117 -6.275 135 2HG PRO 20 HG2 PRO 20 -13.721 -1.451 -7.837 136 1HD PRO 20 HD3 PRO 20 -13.876 -4.179 -7.282 137 2HD PRO 20 HD2 PRO 20 -12.562 -3.454 -8.333 138 H TYR 21 HN TYR 21 -11.751 -4.823 -3.933 139 HA TYR 21 HA TYR 21 -14.050 -4.292 -2.129 140 1HB TYR 21 HB3 TYR 21 -12.866 -6.901 -3.476 141 2HB TYR 21 HB2 TYR 21 -13.750 -7.031 -1.994 142 HD1 TYR 21 HD1 TYR 21 -15.359 -8.428 -2.888 143 HD2 TYR 21 HD2 TYR 21 -14.934 -4.465 -4.574 144 HE1 TYR 21 HE1 TYR 21 -17.518 -8.658 -4.023 145 HE2 TYR 21 HE2 TYR 21 -17.078 -4.709 -5.664 146 HH TYR 21 HH TYR 21 -18.954 -5.916 -5.799 147 H GLY 22 HN GLY 22 -12.223 -2.961 -0.871 148 1HA GLY 22 HA1 GLY 22 -10.710 -4.948 0.802 149 2HA GLY 22 HA2 GLY 22 -10.019 -3.387 0.345 150 H LYS 23 HN LYS 23 -10.333 -4.722 3.009 151 HA LYS 23 HA LYS 23 -12.226 -2.870 4.321 152 1HB LYS 23 HB3 LYS 23 -11.443 -5.800 4.909 153 2HB LYS 23 HB2 LYS 23 -12.359 -4.768 6.069 154 1HG LYS 23 HG3 LYS 23 -14.277 -4.616 4.539 155 2HG LYS 23 HG2 LYS 23 -13.418 -5.531 3.258 156 1HD LYS 23 HD2 LYS 23 -13.215 -7.492 4.834 157 2HD LYS 23 HD3 LYS 23 -14.208 -6.581 6.025 158 1HE LYS 23 HE2 LYS 23 -15.640 -8.176 4.791 159 2HE LYS 23 HE3 LYS 23 -16.096 -6.496 4.289 160 1HZ LYS 23 HZ1 LYS 23 -14.296 -8.361 2.819 161 2HZ LYS 23 HZ2 LYS 23 -15.907 -7.988 2.430 162 3HZ LYS 23 HZ3 LYS 23 -14.710 -6.786 2.335 163 H CYS 24 HN CYS 24 -11.216 -1.481 5.691 164 HA CYS 24 HA CYS 24 -8.348 -1.558 5.859 165 1HB CYS 24 HB3 CYS 24 -9.891 0.473 5.216 166 2HB CYS 24 HB2 CYS 24 -10.160 0.675 6.954 167 H MET 25 HN MET 25 -7.594 -2.873 7.296 168 HA MET 25 HA MET 25 -8.749 -3.029 10.043 169 1HB MET 25 HB3 MET 25 -7.128 -5.042 8.372 170 2HB MET 25 HB2 MET 25 -7.376 -5.229 10.143 171 1HG MET 25 HG2 MET 25 -9.565 -5.325 7.987 172 2HG MET 25 HG3 MET 25 -8.911 -6.653 8.961 173 1HE MET 25 HE1 MET 25 -9.652 -7.351 11.255 174 2HE MET 25 HE2 MET 25 -8.722 -5.945 11.867 175 3HE MET 25 HE3 MET 25 -10.378 -6.260 12.484 176 H ASN 26 HN ASN 26 -7.812 -1.313 10.940 177 HA ASN 26 HA ASN 26 -6.369 0.032 11.884 178 1HB ASN 26 HB2 ASN 26 -5.928 -2.397 12.852 179 2HB ASN 26 HB3 ASN 26 -4.301 -2.259 12.136 180 1HD2 ASN 26 HD2 ASN 26 -3.436 0.247 12.830 181 2HD2 ASN 26 HD2 ASN 26 -3.643 0.526 14.555 182 H ARG 27 HN ARG 27 -6.305 0.524 9.266 183 HA ARG 27 HA ARG 27 -5.388 1.737 7.725 184 1HB ARG 27 HB3 ARG 27 -2.793 1.817 9.305 185 2HB ARG 27 HB2 ARG 27 -3.128 2.775 7.814 186 1HG ARG 27 HG2 ARG 27 -5.030 3.925 8.887 187 2HG ARG 27 HG3 ARG 27 -4.849 2.916 10.354 188 1HD ARG 27 HD3 ARG 27 -2.512 3.860 10.656 189 2HD ARG 27 HD2 ARG 27 -2.893 5.127 9.432 190 HE ARG 27 HE ARG 27 -4.000 4.854 12.185 191 1HH1 ARG 27 HH1 ARG 27 -4.834 6.099 9.036 192 2HH1 ARG 27 HH1 ARG 27 -6.090 7.129 9.670 193 1HH2 ARG 27 HH2 ARG 27 -5.441 6.314 12.987 194 2HH2 ARG 27 HH2 ARG 27 -6.352 7.286 11.864 195 H LYS 28 HN LYS 28 -5.081 -1.387 7.883 196 HA LYS 28 HA LYS 28 -3.317 -1.672 5.525 197 1HB LYS 28 HB3 LYS 28 -2.879 -2.776 7.931 198 2HB LYS 28 HB2 LYS 28 -4.008 -4.022 7.383 199 1HG LYS 28 HG3 LYS 28 -1.373 -3.089 6.030 200 2HG LYS 28 HG2 LYS 28 -1.578 -4.532 7.081 201 1HD LYS 28 HD3 LYS 28 -3.079 -5.597 5.346 202 2HD LYS 28 HD2 LYS 28 -2.891 -4.140 4.327 203 1HE LYS 28 HE2 LYS 28 -0.315 -4.597 4.388 204 2HE LYS 28 HE3 LYS 28 -0.738 -6.236 5.028 205 1HZ LYS 28 HZ1 LYS 28 -1.708 -4.994 2.490 206 2HZ LYS 28 HZ2 LYS 28 -0.510 -6.189 2.634 207 3HZ LYS 28 HZ3 LYS 28 -2.118 -6.542 3.058 208 H CYS 29 HN CYS 29 -4.330 -2.388 3.619 209 HA CYS 29 HA CYS 29 -7.189 -2.938 3.748 210 1HB CYS 29 HB3 CYS 29 -5.849 -3.163 1.007 211 2HB CYS 29 HB2 CYS 29 -7.353 -2.482 1.590 212 H LYS 30 HN LYS 30 -7.678 -4.956 4.383 213 HA LYS 30 HA LYS 30 -6.254 -7.315 3.353 214 1HB LYS 30 HB2 LYS 30 -6.898 -7.059 5.792 215 2HB LYS 30 HB3 LYS 30 -8.625 -7.037 5.330 216 1HG LYS 30 HG3 LYS 30 -8.426 -9.344 4.419 217 2HG LYS 30 HG2 LYS 30 -6.659 -9.375 4.740 218 1HD LYS 30 HD2 LYS 30 -8.797 -8.960 6.913 219 2HD LYS 30 HD3 LYS 30 -8.170 -10.582 6.468 220 1HE LYS 30 HE3 LYS 30 -6.351 -8.306 7.543 221 2HE LYS 30 HE2 LYS 30 -7.110 -9.598 8.546 222 1HZ LYS 30 HZ1 LYS 30 -5.256 -10.040 6.270 223 2HZ LYS 30 HZ2 LYS 30 -4.877 -10.141 7.921 224 3HZ LYS 30 HZ3 LYS 30 -5.972 -11.242 7.234 225 H CYS 31 HN CYS 31 -6.947 -7.868 1.222 226 HA CYS 31 HA CYS 31 -9.478 -6.686 0.392 227 1HB CYS 31 HB2 CYS 31 -7.232 -6.071 -0.602 228 2HB CYS 31 HB3 CYS 31 -7.339 -7.524 -1.612 229 H ASN 32 HN ASN 32 -10.954 -7.576 -0.989 230 HA ASN 32 HA ASN 32 -11.325 -10.514 -0.724 231 1HB ASN 32 HB2 ASN 32 -12.695 -9.157 0.940 232 2HB ASN 32 HB3 ASN 32 -13.480 -8.290 -0.424 233 1HD2 ASN 32 HD2 ASN 32 -15.074 -9.499 1.444 234 2HD2 ASN 32 HD2 ASN 32 -15.679 -11.018 0.829 235 H ARG 33 HN ARG 33 -13.432 -10.886 -2.574 236 HA ARG 33 HA ARG 33 -12.323 -9.716 -5.087 237 1HB ARG 33 HB3 ARG 33 -11.477 -12.153 -4.100 238 2HB ARG 33 HB2 ARG 33 -12.740 -12.722 -5.185 239 1HG ARG 33 HG2 ARG 33 -10.494 -12.702 -6.175 240 2HG ARG 33 HG3 ARG 33 -11.524 -11.565 -7.105 241 1HD ARG 33 HD2 ARG 33 -9.075 -10.816 -6.655 242 2HD ARG 33 HD3 ARG 33 -10.342 -9.646 -6.170 243 HE ARG 33 HE ARG 33 -9.982 -10.016 -3.893 244 1HH1 ARG 33 HH1 ARG 33 -7.938 -12.251 -5.706 245 2HH1 ARG 33 HH1 ARG 33 -7.012 -12.759 -4.322 246 1HH2 ARG 33 HH2 ARG 33 -8.863 -10.943 -2.102 247 2HH2 ARG 33 HH2 ARG 33 -7.483 -11.972 -2.367 248 H CYS 34 HN CYS 34 -13.392 -10.598 -7.135 249 HA CYS 34 HA CYS 34 -16.195 -11.067 -7.003 250 1HB CYS 34 HB2 CYS 34 -16.813 -9.087 -8.269 251 2HB CYS 34 HB3 CYS 34 -15.985 -8.534 -6.796 252 1HN NH2 35 HT1 CYS 34 -16.739 -11.643 -9.545 253 2HN NH2 35 HT2 CYS 34 -15.360 -12.221 -10.436 Start of MODEL 5 1 2H ALA 1 HN2 ALA 1 -1.781 -3.750 1.559 2 H ALA 1 HN ALA 1 -0.245 -3.669 0.803 3 3H ALA 1 HN3 ALA 1 -0.437 -3.294 2.472 4 HA ALA 1 HA ALA 1 -0.236 -1.306 1.018 5 1HB ALA 1 HB1 ALA 1 -3.051 -2.232 0.009 6 2HB ALA 1 HB2 ALA 1 -2.231 -0.701 -0.446 7 3HB ALA 1 HB3 ALA 1 -1.538 -2.250 -0.969 8 H SER 2 HN SER 2 -1.199 0.719 1.827 9 HA SER 2 HA SER 2 -2.554 0.331 4.392 10 1HB SER 2 HB3 SER 2 -0.527 2.494 3.562 11 2HB SER 2 HB2 SER 2 -1.263 2.307 5.199 12 HG SER 2 HG SER 2 -0.159 0.446 5.471 13 H CYS 3 HN CYS 3 -4.059 1.829 5.138 14 HA CYS 3 HA CYS 3 -5.161 3.853 3.278 15 1HB CYS 3 HB3 CYS 3 -7.600 2.949 3.963 16 2HB CYS 3 HB2 CYS 3 -6.694 2.194 2.710 17 H ARG 4 HN ARG 4 -7.259 4.607 4.567 18 HA ARG 4 HA ARG 4 -6.618 5.467 7.325 19 1HB ARG 4 HB2 ARG 4 -8.092 7.371 5.328 20 2HB ARG 4 HB3 ARG 4 -7.456 7.742 6.947 21 1HG ARG 4 HG3 ARG 4 -5.899 7.177 4.374 22 2HG ARG 4 HG2 ARG 4 -6.239 8.781 5.123 23 1HD ARG 4 HD2 ARG 4 -4.716 8.320 7.008 24 2HD ARG 4 HD3 ARG 4 -4.543 6.602 6.484 25 HE ARG 4 HE ARG 4 -3.821 8.894 4.606 26 1HH1 ARG 4 HH1 ARG 4 -2.869 5.797 6.091 27 2HH1 ARG 4 HH1 ARG 4 -1.268 5.925 5.432 28 1HH2 ARG 4 HH2 ARG 4 -1.801 8.883 3.776 29 2HH2 ARG 4 HH2 ARG 4 -0.704 7.588 4.112 30 H THR 5 HN THR 5 -9.079 5.346 4.679 31 HA THR 5 HA THR 5 -11.041 4.098 6.434 32 HB THR 5 HB THR 5 -12.817 5.307 5.123 33 HG1 THR 5 HG1 THR 5 -11.931 7.319 4.172 34 1HG2 THR 5 HG2 THR 5 -12.002 6.185 7.373 35 2HG2 THR 5 HG2 THR 5 -10.780 7.191 6.518 36 3HG2 THR 5 HG2 THR 5 -12.535 7.512 6.284 37 HA PRO 6 HA PRO 6 -10.554 1.035 3.269 38 1HB PRO 6 HB2 PRO 6 -13.535 0.521 3.078 39 2HB PRO 6 HB3 PRO 6 -12.191 -0.578 3.512 40 1HG PRO 6 HG2 PRO 6 -13.922 0.463 5.408 41 2HG PRO 6 HG3 PRO 6 -12.159 0.304 5.765 42 1HD PRO 6 HD3 PRO 6 -13.626 2.826 4.865 43 2HD PRO 6 HD2 PRO 6 -12.437 2.534 6.230 44 H LYS 7 HN LYS 7 -12.456 3.784 2.254 45 HA LYS 7 HA LYS 7 -12.686 3.055 -0.533 46 1HB LYS 7 HB3 LYS 7 -13.845 5.104 -0.856 47 2HB LYS 7 HB2 LYS 7 -14.417 4.248 0.597 48 1HG LYS 7 HG3 LYS 7 -12.791 5.988 1.921 49 2HG LYS 7 HG2 LYS 7 -12.878 6.880 0.362 50 1HD LYS 7 HD3 LYS 7 -14.530 7.748 1.842 51 2HD LYS 7 HD2 LYS 7 -15.447 6.773 0.636 52 1HE LYS 7 HE3 LYS 7 -15.645 4.899 2.326 53 2HE LYS 7 HE2 LYS 7 -14.614 5.835 3.481 54 1HZ LYS 7 HZ1 LYS 7 -16.274 7.549 3.500 55 2HZ LYS 7 HZ2 LYS 7 -17.245 6.677 2.412 56 3HZ LYS 7 HZ3 LYS 7 -16.927 6.048 3.958 57 H ASP 8 HN ASP 8 -9.845 3.932 1.206 58 HA ASP 8 HA ASP 8 -8.731 5.503 -0.995 59 1HB ASP 8 HB3 ASP 8 -7.474 4.749 1.732 60 2HB ASP 8 HB2 ASP 8 -6.855 5.938 0.526 61 H CYS 9 HN CYS 9 -9.194 2.172 -0.339 62 HA CYS 9 HA CYS 9 -6.530 1.495 -1.525 63 1HB CYS 9 HB3 CYS 9 -7.290 0.927 0.980 64 2HB CYS 9 HB2 CYS 9 -8.036 -0.496 0.231 65 H ALA 10 HN ALA 10 -9.453 1.960 -2.594 66 HA ALA 10 HA ALA 10 -10.311 -0.358 -3.882 67 1HB ALA 10 HB1 ALA 10 -11.726 1.598 -3.372 68 2HB ALA 10 HB2 ALA 10 -10.838 2.581 -4.587 69 3HB ALA 10 HB3 ALA 10 -11.816 1.160 -5.109 70 H ASP 11 HN ASP 11 -8.113 2.269 -4.972 71 HA ASP 11 HA ASP 11 -7.784 1.240 -7.629 72 1HB ASP 11 HB2 ASP 11 -6.463 3.580 -6.160 73 2HB ASP 11 HB3 ASP 11 -6.168 3.168 -7.899 74 HA PRO 12 HA PRO 12 -3.539 -0.616 -6.143 75 1HB PRO 12 HB3 PRO 12 -3.553 -1.242 -3.280 76 2HB PRO 12 HB2 PRO 12 -2.649 0.095 -4.070 77 1HG PRO 12 HG3 PRO 12 -5.377 -0.021 -2.815 78 2HG PRO 12 HG2 PRO 12 -4.129 1.237 -2.503 79 1HD PRO 12 HD3 PRO 12 -6.203 1.777 -4.124 80 2HD PRO 12 HD2 PRO 12 -4.539 2.230 -4.695 81 H CYS 13 HN CYS 13 -6.700 -1.429 -4.561 82 HA CYS 13 HA CYS 13 -6.372 -4.249 -4.723 83 1HB CYS 13 HB3 CYS 13 -8.016 -2.798 -3.168 84 2HB CYS 13 HB2 CYS 13 -9.027 -2.879 -4.499 85 H ARG 14 HN ARG 14 -7.522 -1.841 -7.070 86 HA ARG 14 HA ARG 14 -8.464 -3.722 -9.042 87 1HB ARG 14 HB3 ARG 14 -9.386 -1.540 -9.158 88 2HB ARG 14 HB2 ARG 14 -7.769 -0.738 -9.117 89 1HG ARG 14 HG3 ARG 14 -7.290 -1.533 -11.421 90 2HG ARG 14 HG2 ARG 14 -8.772 -2.547 -11.356 91 1HD ARG 14 HD3 ARG 14 -8.801 0.599 -11.531 92 2HD ARG 14 HD2 ARG 14 -8.891 -0.561 -12.871 93 HE ARG 14 HE ARG 14 -11.075 -1.241 -12.233 94 1HH1 ARG 14 HH1 ARG 14 -9.899 1.082 -9.867 95 2HH1 ARG 14 HH1 ARG 14 -11.511 1.510 -9.408 96 1HH2 ARG 14 HH2 ARG 14 -13.032 -0.655 -11.575 97 2HH2 ARG 14 HH2 ARG 14 -13.238 0.611 -10.407 98 H LYS 15 HN LYS 15 -5.341 -2.840 -8.028 99 HA LYS 15 HA LYS 15 -4.070 -3.668 -10.517 100 1HB LYS 15 HB3 LYS 15 -3.321 -1.610 -9.414 101 2HB LYS 15 HB2 LYS 15 -2.956 -2.480 -7.906 102 1HG LYS 15 HG2 LYS 15 -0.911 -1.911 -9.135 103 2HG LYS 15 HG3 LYS 15 -1.075 -3.697 -9.023 104 1HD LYS 15 HD2 LYS 15 -1.868 -3.856 -11.299 105 2HD LYS 15 HD3 LYS 15 -1.827 -2.066 -11.517 106 1HE LYS 15 HE2 LYS 15 0.628 -3.869 -10.936 107 2HE LYS 15 HE3 LYS 15 0.155 -3.223 -12.562 108 1HZ LYS 15 HZ1 LYS 15 0.850 -1.596 -10.173 109 2HZ LYS 15 HZ2 LYS 15 1.842 -1.893 -11.520 110 3HZ LYS 15 HZ3 LYS 15 0.409 -1.000 -11.700 111 H GLU 16 HN GLU 16 -4.288 -4.728 -7.043 112 HA GLU 16 HA GLU 16 -2.624 -7.078 -7.680 113 1HB GLU 16 HB3 GLU 16 -2.402 -7.561 -5.271 114 2HB GLU 16 HB2 GLU 16 -1.929 -5.891 -5.653 115 1HG GLU 16 HG2 GLU 16 -4.528 -5.394 -5.032 116 2HG GLU 16 HG3 GLU 16 -4.409 -6.985 -4.223 117 H THR 17 HN THR 17 -6.123 -6.680 -6.516 118 HA THR 17 HA THR 17 -6.347 -9.556 -7.192 119 HB THR 17 HB THR 17 -8.516 -9.706 -6.237 120 HG1 THR 17 HG1 THR 17 -9.384 -8.084 -5.012 121 1HG2 THR 17 HG2 THR 17 -7.803 -9.457 -3.814 122 2HG2 THR 17 HG2 THR 17 -6.543 -10.242 -4.827 123 3HG2 THR 17 HG2 THR 17 -6.366 -8.527 -4.327 124 H GLY 18 HN GLY 18 -7.671 -6.336 -7.914 125 1HA GLY 18 HA1 GLY 18 -7.860 -5.676 -10.210 126 2HA GLY 18 HA2 GLY 18 -8.574 -7.243 -10.616 127 H CYS 19 HN CYS 19 -9.764 -6.942 -7.868 128 HA CYS 19 HA CYS 19 -12.376 -5.843 -8.700 129 1HB CYS 19 HB2 CYS 19 -11.551 -7.803 -6.493 130 2HB CYS 19 HB3 CYS 19 -13.223 -7.230 -6.775 131 HA PRO 20 HA PRO 20 -11.353 -2.364 -5.957 132 1HB PRO 20 HB2 PRO 20 -14.332 -1.727 -6.201 133 2HB PRO 20 HB3 PRO 20 -12.896 -0.665 -6.516 134 1HG PRO 20 HG3 PRO 20 -14.479 -1.866 -8.452 135 2HG PRO 20 HG2 PRO 20 -12.668 -1.722 -8.694 136 1HD PRO 20 HD2 PRO 20 -14.296 -4.155 -7.767 137 2HD PRO 20 HD3 PRO 20 -12.932 -3.990 -8.969 138 H TYR 21 HN TYR 21 -12.148 -4.860 -4.349 139 HA TYR 21 HA TYR 21 -13.793 -3.718 -2.148 140 1HB TYR 21 HB3 TYR 21 -13.248 -6.682 -2.925 141 2HB TYR 21 HB2 TYR 21 -14.309 -6.122 -1.591 142 HD1 TYR 21 HD1 TYR 21 -15.397 -3.868 -4.178 143 HD2 TYR 21 HD2 TYR 21 -15.167 -8.060 -3.161 144 HE1 TYR 21 HE1 TYR 21 -17.211 -4.364 -5.732 145 HE2 TYR 21 HE2 TYR 21 -17.061 -8.527 -4.607 146 HH TYR 21 HH TYR 21 -18.603 -7.669 -5.926 147 H GLY 22 HN GLY 22 -12.402 -2.912 -0.531 148 1HA GLY 22 HA1 GLY 22 -10.564 -4.948 0.628 149 2HA GLY 22 HA2 GLY 22 -9.930 -3.309 0.233 150 H LYS 23 HN LYS 23 -10.630 -4.900 2.953 151 HA LYS 23 HA LYS 23 -12.216 -2.738 4.190 152 1HB LYS 23 HB2 LYS 23 -13.083 -4.942 4.545 153 2HB LYS 23 HB3 LYS 23 -11.504 -5.595 5.099 154 1HG LYS 23 HG3 LYS 23 -11.698 -4.181 7.193 155 2HG LYS 23 HG2 LYS 23 -13.194 -3.437 6.533 156 1HD LYS 23 HD2 LYS 23 -14.309 -5.661 6.514 157 2HD LYS 23 HD3 LYS 23 -12.822 -6.436 7.151 158 1HE LYS 23 HE2 LYS 23 -14.501 -4.277 8.625 159 2HE LYS 23 HE3 LYS 23 -14.561 -6.060 8.937 160 1HZ LYS 23 HZ1 LYS 23 -12.238 -5.989 9.521 161 2HZ LYS 23 HZ2 LYS 23 -12.173 -4.317 9.232 162 3HZ LYS 23 HZ3 LYS 23 -13.146 -4.925 10.483 163 H CYS 24 HN CYS 24 -11.311 -1.387 5.654 164 HA CYS 24 HA CYS 24 -8.400 -1.456 5.988 165 1HB CYS 24 HB3 CYS 24 -9.895 0.638 5.386 166 2HB CYS 24 HB2 CYS 24 -10.101 0.810 7.129 167 H MET 25 HN MET 25 -7.592 -2.647 7.520 168 HA MET 25 HA MET 25 -8.864 -2.777 10.229 169 1HB MET 25 HB3 MET 25 -7.179 -4.806 8.605 170 2HB MET 25 HB2 MET 25 -7.460 -5.002 10.370 171 1HG MET 25 HG3 MET 25 -9.865 -5.326 10.051 172 2HG MET 25 HG2 MET 25 -9.720 -5.063 8.290 173 1HE MET 25 HE1 MET 25 -11.192 -7.411 8.551 174 2HE MET 25 HE2 MET 25 -10.505 -8.921 9.238 175 3HE MET 25 HE3 MET 25 -10.813 -7.507 10.304 176 H ASN 26 HN ASN 26 -7.870 -1.080 11.191 177 HA ASN 26 HA ASN 26 -6.321 0.121 12.219 178 1HB ASN 26 HB3 ASN 26 -5.699 -2.419 13.014 179 2HB ASN 26 HB2 ASN 26 -4.195 -2.124 12.126 180 1HD2 ASN 26 HD2 ASN 26 -3.285 0.314 12.923 181 2HD2 ASN 26 HD2 ASN 26 -3.312 0.410 14.694 182 H ARG 27 HN ARG 27 -6.366 0.640 9.475 183 HA ARG 27 HA ARG 27 -5.417 1.977 7.985 184 1HB ARG 27 HB2 ARG 27 -2.804 1.777 9.371 185 2HB ARG 27 HB3 ARG 27 -3.116 2.808 7.937 186 1HG ARG 27 HG2 ARG 27 -4.753 4.143 9.138 187 2HG ARG 27 HG3 ARG 27 -4.456 3.219 10.656 188 1HD ARG 27 HD3 ARG 27 -2.308 4.868 9.106 189 2HD ARG 27 HD2 ARG 27 -3.233 5.423 10.544 190 HE ARG 27 HE ARG 27 -2.081 3.860 11.948 191 1HH1 ARG 27 HH1 ARG 27 -1.018 3.251 8.653 192 2HH1 ARG 27 HH1 ARG 27 0.502 2.585 9.208 193 1HH2 ARG 27 HH2 ARG 27 -0.105 3.055 12.541 194 2HH2 ARG 27 HH2 ARG 27 0.945 2.401 11.321 195 H LYS 28 HN LYS 28 -5.085 -1.265 8.110 196 HA LYS 28 HA LYS 28 -3.428 -1.460 5.653 197 1HB LYS 28 HB2 LYS 28 -3.784 -3.472 7.973 198 2HB LYS 28 HB3 LYS 28 -3.150 -3.961 6.387 199 1HG LYS 28 HG3 LYS 28 -1.879 -1.770 8.093 200 2HG LYS 28 HG2 LYS 28 -1.415 -3.500 8.156 201 1HD LYS 28 HD3 LYS 28 -1.311 -1.792 5.586 202 2HD LYS 28 HD2 LYS 28 0.074 -2.040 6.692 203 1HE LYS 28 HE2 LYS 28 0.159 -4.443 6.222 204 2HE LYS 28 HE3 LYS 28 -1.382 -4.385 5.282 205 1HZ LYS 28 HZ1 LYS 28 0.508 -4.385 3.850 206 2HZ LYS 28 HZ2 LYS 28 -0.343 -2.925 3.703 207 3HZ LYS 28 HZ3 LYS 28 1.121 -2.971 4.560 208 H CYS 29 HN CYS 29 -4.237 -2.476 3.852 209 HA CYS 29 HA CYS 29 -7.126 -2.831 3.862 210 1HB CYS 29 HB3 CYS 29 -5.628 -3.117 1.212 211 2HB CYS 29 HB2 CYS 29 -7.161 -2.370 1.675 212 H LYS 30 HN LYS 30 -8.036 -4.750 4.132 213 HA LYS 30 HA LYS 30 -6.762 -7.251 3.280 214 1HB LYS 30 HB3 LYS 30 -7.938 -7.051 5.481 215 2HB LYS 30 HB2 LYS 30 -9.443 -6.593 4.650 216 1HG LYS 30 HG3 LYS 30 -9.436 -8.906 3.517 217 2HG LYS 30 HG2 LYS 30 -8.038 -9.333 4.576 218 1HD LYS 30 HD2 LYS 30 -9.435 -8.780 6.574 219 2HD LYS 30 HD3 LYS 30 -10.779 -8.255 5.501 220 1HE LYS 30 HE3 LYS 30 -11.043 -10.584 4.635 221 2HE LYS 30 HE2 LYS 30 -9.709 -11.144 5.727 222 1HZ LYS 30 HZ1 LYS 30 -11.871 -11.497 6.684 223 2HZ LYS 30 HZ2 LYS 30 -11.001 -10.361 7.598 224 3HZ LYS 30 HZ3 LYS 30 -12.249 -9.845 6.571 225 H CYS 31 HN CYS 31 -6.672 -6.874 1.016 226 HA CYS 31 HA CYS 31 -8.885 -6.130 -0.620 227 1HB CYS 31 HB2 CYS 31 -6.615 -5.492 -1.145 228 2HB CYS 31 HB3 CYS 31 -6.104 -7.184 -1.325 229 H ASN 32 HN ASN 32 -10.274 -7.257 -1.791 230 HA ASN 32 HA ASN 32 -10.340 -10.227 -1.449 231 1HB ASN 32 HB3 ASN 32 -12.713 -8.255 -1.822 232 2HB ASN 32 HB2 ASN 32 -12.828 -9.972 -1.304 233 1HD2 ASN 32 HD2 ASN 32 -12.552 -6.808 -0.093 234 2HD2 ASN 32 HD2 ASN 32 -12.663 -7.422 1.539 235 H ARG 33 HN ARG 33 -11.905 -11.299 -3.016 236 HA ARG 33 HA ARG 33 -11.361 -10.769 -5.785 237 1HB ARG 33 HB2 ARG 33 -12.528 -13.181 -5.813 238 2HB ARG 33 HB3 ARG 33 -11.050 -12.972 -4.918 239 1HG ARG 33 HG3 ARG 33 -12.551 -14.392 -3.728 240 2HG ARG 33 HG2 ARG 33 -11.978 -13.046 -2.732 241 1HD ARG 33 HD2 ARG 33 -14.897 -13.353 -3.839 242 2HD ARG 33 HD3 ARG 33 -14.243 -13.820 -2.223 243 HE ARG 33 HE ARG 33 -14.036 -10.917 -3.108 244 1HH1 ARG 33 HH1 ARG 33 -16.184 -13.203 -1.475 245 2HH1 ARG 33 HH1 ARG 33 -17.167 -11.899 -0.946 246 1HH2 ARG 33 HH2 ARG 33 -14.749 -9.528 -1.648 247 2HH2 ARG 33 HH2 ARG 33 -16.294 -9.848 -0.942 248 H CYS 34 HN CYS 34 -13.463 -11.222 -7.370 249 HA CYS 34 HA CYS 34 -15.991 -10.553 -6.320 250 1HB CYS 34 HB2 CYS 34 -16.469 -8.677 -7.807 251 2HB CYS 34 HB3 CYS 34 -15.126 -8.225 -6.739 252 1HN NH2 35 HT1 CYS 34 -17.580 -10.991 -8.303 253 2HN NH2 35 HT2 CYS 34 -16.954 -12.008 -9.584 Start of MODEL 6 1 2H ALA 1 HN2 ALA 1 0.423 -3.346 2.049 2 H ALA 1 HN ALA 1 -0.863 -3.115 3.143 3 3H ALA 1 HN3 ALA 1 -1.188 -3.541 1.552 4 HA ALA 1 HA ALA 1 0.310 -1.150 1.659 5 1HB ALA 1 HB1 ALA 1 -1.497 -0.492 -0.029 6 2HB ALA 1 HB2 ALA 1 -0.849 -2.111 -0.391 7 3HB ALA 1 HB3 ALA 1 -2.445 -1.943 0.430 8 H SER 2 HN SER 2 -0.733 1.025 1.976 9 HA SER 2 HA SER 2 -2.015 1.155 4.566 10 1HB SER 2 HB3 SER 2 -0.818 3.347 2.760 11 2HB SER 2 HB2 SER 2 -1.382 3.580 4.463 12 HG SER 2 HG SER 2 0.736 3.174 4.623 13 H CYS 3 HN CYS 3 -3.932 2.283 5.031 14 HA CYS 3 HA CYS 3 -5.510 3.623 3.063 15 1HB CYS 3 HB2 CYS 3 -7.603 2.210 3.438 16 2HB CYS 3 HB3 CYS 3 -6.286 1.377 2.583 17 H ARG 4 HN ARG 4 -7.295 4.802 4.132 18 HA ARG 4 HA ARG 4 -6.907 5.158 7.063 19 1HB ARG 4 HB2 ARG 4 -8.264 7.217 5.150 20 2HB ARG 4 HB3 ARG 4 -7.821 7.388 6.867 21 1HG ARG 4 HG3 ARG 4 -5.999 7.255 4.393 22 2HG ARG 4 HG2 ARG 4 -6.356 8.629 5.491 23 1HD ARG 4 HD2 ARG 4 -5.168 7.248 7.383 24 2HD ARG 4 HD3 ARG 4 -4.640 6.128 6.084 25 HE ARG 4 HE ARG 4 -3.443 7.935 4.971 26 1HH1 ARG 4 HH2 ARG 4 -5.095 9.080 7.771 27 2HH1 ARG 4 HH2 ARG 4 -4.301 10.620 7.759 28 1HH2 ARG 4 HH1 ARG 4 -2.282 9.885 5.068 29 2HH2 ARG 4 HH1 ARG 4 -2.636 11.014 6.317 30 H THR 5 HN THR 5 -9.361 5.335 4.427 31 HA THR 5 HA THR 5 -11.317 3.935 6.092 32 HB THR 5 HB THR 5 -13.070 5.004 4.691 33 HG1 THR 5 HG1 THR 5 -12.190 7.036 3.687 34 1HG2 THR 5 HG2 THR 5 -12.403 6.020 6.904 35 2HG2 THR 5 HG2 THR 5 -11.146 7.020 6.096 36 3HG2 THR 5 HG2 THR 5 -12.886 7.288 5.734 37 HA PRO 6 HA PRO 6 -10.644 0.726 3.101 38 1HB PRO 6 HB2 PRO 6 -13.672 0.302 2.922 39 2HB PRO 6 HB3 PRO 6 -12.365 -0.858 3.251 40 1HG PRO 6 HG2 PRO 6 -13.940 0.154 5.275 41 2HG PRO 6 HG3 PRO 6 -12.140 0.101 5.517 42 1HD PRO 6 HD3 PRO 6 -13.732 2.534 4.645 43 2HD PRO 6 HD2 PRO 6 -12.492 2.266 5.984 44 H LYS 7 HN LYS 7 -12.637 3.363 1.888 45 HA LYS 7 HA LYS 7 -12.796 2.608 -0.847 46 1HB LYS 7 HB2 LYS 7 -12.921 5.383 0.481 47 2HB LYS 7 HB3 LYS 7 -13.471 5.004 -1.185 48 1HG LYS 7 HG2 LYS 7 -14.710 3.813 1.373 49 2HG LYS 7 HG3 LYS 7 -15.300 5.256 0.485 50 1HD LYS 7 HD2 LYS 7 -15.712 3.927 -1.541 51 2HD LYS 7 HD3 LYS 7 -15.104 2.433 -0.744 52 1HE LYS 7 HE3 LYS 7 -16.943 2.508 0.922 53 2HE LYS 7 HE2 LYS 7 -17.528 4.078 0.233 54 1HZ LYS 7 HZ1 LYS 7 -18.777 2.218 -0.580 55 2HZ LYS 7 HZ2 LYS 7 -17.928 2.961 -1.849 56 3HZ LYS 7 HZ3 LYS 7 -17.380 1.485 -1.211 57 H ASP 8 HN ASP 8 -10.058 3.756 1.061 58 HA ASP 8 HA ASP 8 -8.655 4.957 -1.180 59 1HB ASP 8 HB2 ASP 8 -7.677 4.299 1.676 60 2HB ASP 8 HB3 ASP 8 -6.791 5.282 0.451 61 H CYS 9 HN CYS 9 -9.182 1.685 -0.122 62 HA CYS 9 HA CYS 9 -6.641 0.789 -1.313 63 1HB CYS 9 HB3 CYS 9 -7.500 0.195 1.093 64 2HB CYS 9 HB2 CYS 9 -8.494 -1.033 0.316 65 H ALA 10 HN ALA 10 -9.738 1.478 -2.315 66 HA ALA 10 HA ALA 10 -10.445 -0.600 -4.033 67 1HB ALA 10 HB1 ALA 10 -11.040 2.401 -4.272 68 2HB ALA 10 HB2 ALA 10 -11.957 1.057 -5.047 69 3HB ALA 10 HB3 ALA 10 -11.938 1.226 -3.262 70 H ASP 11 HN ASP 11 -8.280 2.191 -4.509 71 HA ASP 11 HA ASP 11 -7.704 1.776 -7.265 72 1HB ASP 11 HB2 ASP 11 -6.230 3.553 -5.223 73 2HB ASP 11 HB3 ASP 11 -6.140 3.669 -7.015 74 HA PRO 12 HA PRO 12 -3.568 -0.350 -5.910 75 1HB PRO 12 HB2 PRO 12 -3.098 -1.154 -3.289 76 2HB PRO 12 HB3 PRO 12 -2.902 0.557 -3.823 77 1HG PRO 12 HG3 PRO 12 -5.338 -0.400 -2.511 78 2HG PRO 12 HG2 PRO 12 -4.247 0.959 -2.010 79 1HD PRO 12 HD2 PRO 12 -6.392 1.548 -3.572 80 2HD PRO 12 HD3 PRO 12 -4.778 2.242 -3.996 81 H CYS 13 HN CYS 13 -6.657 -1.409 -4.298 82 HA CYS 13 HA CYS 13 -6.115 -4.177 -4.723 83 1HB CYS 13 HB2 CYS 13 -7.554 -3.539 -2.879 84 2HB CYS 13 HB3 CYS 13 -8.793 -2.962 -4.018 85 H ARG 14 HN ARG 14 -7.701 -1.690 -6.715 86 HA ARG 14 HA ARG 14 -8.495 -3.401 -8.893 87 1HB ARG 14 HB3 ARG 14 -9.478 -1.179 -8.517 88 2HB ARG 14 HB2 ARG 14 -7.875 -0.366 -8.621 89 1HG ARG 14 HG3 ARG 14 -7.776 -0.939 -11.057 90 2HG ARG 14 HG2 ARG 14 -9.355 -1.795 -10.874 91 1HD ARG 14 HD3 ARG 14 -8.961 1.298 -10.812 92 2HD ARG 14 HD2 ARG 14 -9.896 0.262 -11.961 93 HE ARG 14 HE ARG 14 -10.694 0.095 -9.086 94 1HH1 ARG 14 HH2 ARG 14 -11.336 1.786 -12.079 95 2HH1 ARG 14 HH2 ARG 14 -12.843 2.413 -11.498 96 1HH2 ARG 14 HH1 ARG 14 -12.752 0.691 -8.513 97 2HH2 ARG 14 HH1 ARG 14 -13.693 1.687 -9.573 98 H LYS 15 HN LYS 15 -5.448 -2.499 -7.813 99 HA LYS 15 HA LYS 15 -4.204 -2.916 -10.420 100 1HB LYS 15 HB3 LYS 15 -3.686 -0.898 -9.075 101 2HB LYS 15 HB2 LYS 15 -2.891 -1.894 -7.828 102 1HG LYS 15 HG3 LYS 15 -1.189 -2.606 -9.586 103 2HG LYS 15 HG2 LYS 15 -2.104 -1.656 -10.819 104 1HD LYS 15 HD3 LYS 15 -1.713 0.401 -9.362 105 2HD LYS 15 HD2 LYS 15 -0.683 -0.631 -8.304 106 1HE LYS 15 HE3 LYS 15 -0.158 -0.080 -11.314 107 2HE LYS 15 HE2 LYS 15 0.665 0.762 -9.937 108 1HZ LYS 15 HZ1 LYS 15 1.976 -1.031 -10.810 109 2HZ LYS 15 HZ2 LYS 15 1.516 -1.358 -9.209 110 3HZ LYS 15 HZ3 LYS 15 0.744 -2.156 -10.494 111 H GLU 16 HN GLU 16 -4.053 -4.232 -7.008 112 HA GLU 16 HA GLU 16 -2.107 -6.269 -7.694 113 1HB GLU 16 HB2 GLU 16 -2.140 -7.097 -5.337 114 2HB GLU 16 HB3 GLU 16 -1.871 -5.349 -5.391 115 1HG GLU 16 HG3 GLU 16 -4.410 -5.126 -5.052 116 2HG GLU 16 HG2 GLU 16 -4.519 -6.857 -4.597 117 H THR 17 HN THR 17 -5.577 -6.444 -6.968 118 HA THR 17 HA THR 17 -5.549 -9.259 -7.958 119 HB THR 17 HB THR 17 -6.230 -9.464 -5.770 120 HG1 THR 17 HG1 THR 17 -8.331 -10.260 -6.010 121 1HG2 THR 17 HG2 THR 17 -6.970 -7.350 -4.999 122 2HG2 THR 17 HG2 THR 17 -8.312 -7.225 -6.224 123 3HG2 THR 17 HG2 THR 17 -8.377 -8.409 -4.882 124 H GLY 18 HN GLY 18 -7.282 -6.112 -8.078 125 1HA GLY 18 HA1 GLY 18 -7.607 -5.193 -10.226 126 2HA GLY 18 HA2 GLY 18 -8.039 -6.755 -10.900 127 H CYS 19 HN CYS 19 -9.481 -6.873 -8.007 128 HA CYS 19 HA CYS 19 -11.947 -5.520 -9.035 129 1HB CYS 19 HB2 CYS 19 -11.670 -8.162 -7.597 130 2HB CYS 19 HB3 CYS 19 -13.206 -7.213 -7.585 131 HA PRO 20 HA PRO 20 -10.970 -3.037 -5.340 132 1HB PRO 20 HB3 PRO 20 -12.834 -1.021 -5.668 133 2HB PRO 20 HB2 PRO 20 -11.569 -1.293 -6.918 134 1HG PRO 20 HG3 PRO 20 -14.292 -2.357 -6.977 135 2HG PRO 20 HG2 PRO 20 -13.558 -1.366 -8.278 136 1HD PRO 20 HD3 PRO 20 -13.501 -4.105 -8.454 137 2HD PRO 20 HD2 PRO 20 -11.980 -3.153 -8.831 138 H TYR 21 HN TYR 21 -11.671 -5.047 -4.091 139 HA TYR 21 HA TYR 21 -14.301 -4.714 -2.709 140 1HB TYR 21 HB3 TYR 21 -12.910 -7.191 -4.012 141 2HB TYR 21 HB2 TYR 21 -13.774 -7.485 -2.523 142 HD1 TYR 21 HD1 TYR 21 -14.281 -6.044 -5.926 143 HD2 TYR 21 HD2 TYR 21 -16.100 -7.481 -2.306 144 HE1 TYR 21 HE1 TYR 21 -16.499 -5.999 -7.025 145 HE2 TYR 21 HE2 TYR 21 -18.287 -7.497 -3.394 146 HH TYR 21 HH TYR 21 -18.742 -6.226 -6.708 147 H GLY 22 HN GLY 22 -12.633 -3.266 -1.319 148 1HA GLY 22 HA1 GLY 22 -11.393 -5.186 0.653 149 2HA GLY 22 HA2 GLY 22 -10.588 -3.665 0.158 150 H LYS 23 HN LYS 23 -10.662 -4.516 2.718 151 HA LYS 23 HA LYS 23 -12.461 -2.682 4.099 152 1HB LYS 23 HB3 LYS 23 -11.489 -5.518 4.878 153 2HB LYS 23 HB2 LYS 23 -12.176 -4.376 6.055 154 1HG LYS 23 HG3 LYS 23 -13.707 -5.447 3.664 155 2HG LYS 23 HG2 LYS 23 -13.871 -5.955 5.375 156 1HD LYS 23 HD3 LYS 23 -14.619 -3.186 4.168 157 2HD LYS 23 HD2 LYS 23 -15.695 -4.480 4.765 158 1HE LYS 23 HE3 LYS 23 -15.768 -2.851 6.471 159 2HE LYS 23 HE2 LYS 23 -14.657 -4.114 7.135 160 1HZ LYS 23 HZ1 LYS 23 -12.806 -2.707 6.439 161 2HZ LYS 23 HZ2 LYS 23 -13.883 -1.540 5.835 162 3HZ LYS 23 HZ3 LYS 23 -13.852 -1.889 7.497 163 H CYS 24 HN CYS 24 -11.489 -1.516 5.691 164 HA CYS 24 HA CYS 24 -8.515 -1.653 5.903 165 1HB CYS 24 HB3 CYS 24 -9.816 0.512 5.079 166 2HB CYS 24 HB2 CYS 24 -10.143 0.814 6.768 167 H MET 25 HN MET 25 -7.517 -1.836 7.854 168 HA MET 25 HA MET 25 -9.167 -1.794 10.312 169 1HB MET 25 HB2 MET 25 -7.216 -4.056 9.456 170 2HB MET 25 HB3 MET 25 -7.949 -3.941 11.092 171 1HG MET 25 HG2 MET 25 -9.509 -4.431 8.480 172 2HG MET 25 HG3 MET 25 -9.038 -5.636 9.695 173 1HE MET 25 HE1 MET 25 -13.023 -4.880 9.584 174 2HE MET 25 HE2 MET 25 -11.904 -4.264 8.317 175 3HE MET 25 HE3 MET 25 -11.701 -5.933 8.953 176 H ASN 26 HN ASN 26 -7.700 0.139 9.342 177 HA ASN 26 HA ASN 26 -6.474 1.860 10.047 178 1HB ASN 26 HB3 ASN 26 -7.218 1.329 12.349 179 2HB ASN 26 HB2 ASN 26 -5.749 0.330 12.581 180 1HD2 ASN 26 HD2 ASN 26 -4.551 1.581 14.071 181 2HD2 ASN 26 HD2 ASN 26 -4.210 3.275 13.837 182 H ARG 27 HN ARG 27 -4.982 1.632 8.171 183 HA ARG 27 HA ARG 27 -3.090 1.738 7.249 184 1HB ARG 27 HB3 ARG 27 -1.641 1.464 9.894 185 2HB ARG 27 HB2 ARG 27 -0.981 2.078 8.334 186 1HG ARG 27 HG2 ARG 27 -2.804 3.866 8.315 187 2HG ARG 27 HG3 ARG 27 -3.275 3.385 9.974 188 1HD ARG 27 HD3 ARG 27 -1.067 4.013 10.851 189 2HD ARG 27 HD2 ARG 27 -0.510 4.563 9.223 190 HE ARG 27 HE ARG 27 -2.222 6.061 11.073 191 1HH1 ARG 27 HH2 ARG 27 -1.734 5.667 7.543 192 2HH1 ARG 27 HH2 ARG 27 -2.574 7.188 7.256 193 1HH2 ARG 27 HH1 ARG 27 -3.125 8.002 10.449 194 2HH2 ARG 27 HH1 ARG 27 -3.108 8.485 8.776 195 H LYS 28 HN LYS 28 -4.396 -0.901 7.562 196 HA LYS 28 HA LYS 28 -2.444 -2.434 6.070 197 1HB LYS 28 HB3 LYS 28 -2.169 -3.191 8.483 198 2HB LYS 28 HB2 LYS 28 -3.928 -3.457 8.589 199 1HG LYS 28 HG3 LYS 28 -2.889 -5.528 8.432 200 2HG LYS 28 HG2 LYS 28 -3.709 -5.368 6.860 201 1HD LYS 28 HD3 LYS 28 -0.760 -4.518 7.030 202 2HD LYS 28 HD2 LYS 28 -1.147 -6.241 7.326 203 1HE LYS 28 HE2 LYS 28 -0.576 -6.163 5.036 204 2HE LYS 28 HE3 LYS 28 -2.377 -6.343 5.079 205 1HZ LYS 28 HZ1 LYS 28 -2.532 -3.962 4.709 206 2HZ LYS 28 HZ2 LYS 28 -0.840 -3.824 4.669 207 3HZ LYS 28 HZ3 LYS 28 -1.647 -4.727 3.478 208 H CYS 29 HN CYS 29 -3.534 -3.292 4.304 209 HA CYS 29 HA CYS 29 -6.500 -3.255 4.286 210 1HB CYS 29 HB2 CYS 29 -4.615 -3.735 1.882 211 2HB CYS 29 HB3 CYS 29 -6.406 -3.617 1.843 212 H LYS 30 HN LYS 30 -7.716 -5.062 3.992 213 HA LYS 30 HA LYS 30 -6.426 -7.616 3.231 214 1HB LYS 30 HB3 LYS 30 -7.298 -7.656 5.650 215 2HB LYS 30 HB2 LYS 30 -8.939 -7.318 5.028 216 1HG LYS 30 HG3 LYS 30 -8.700 -9.541 3.627 217 2HG LYS 30 HG2 LYS 30 -7.075 -9.699 4.366 218 1HD LYS 30 HD2 LYS 30 -8.434 -11.139 5.650 219 2HD LYS 30 HD3 LYS 30 -8.214 -9.681 6.670 220 1HE LYS 30 HE2 LYS 30 -10.552 -10.404 6.832 221 2HE LYS 30 HE3 LYS 30 -10.551 -8.887 5.845 222 1HZ LYS 30 HZ1 LYS 30 -10.626 -11.683 4.817 223 2HZ LYS 30 HZ2 LYS 30 -11.931 -10.599 4.905 224 3HZ LYS 30 HZ3 LYS 30 -10.624 -10.273 3.870 225 H CYS 31 HN CYS 31 -7.156 -7.986 1.061 226 HA CYS 31 HA CYS 31 -9.637 -6.592 0.323 227 1HB CYS 31 HB2 CYS 31 -7.356 -6.022 -0.934 228 2HB CYS 31 HB3 CYS 31 -7.678 -7.478 -1.863 229 H ASN 32 HN ASN 32 -11.047 -7.594 -1.193 230 HA ASN 32 HA ASN 32 -11.174 -10.553 -0.965 231 1HB ASN 32 HB2 ASN 32 -12.739 -9.339 0.627 232 2HB ASN 32 HB3 ASN 32 -13.570 -8.534 -0.726 233 1HD2 ASN 32 HD2 ASN 32 -14.130 -10.747 1.540 234 2HD2 ASN 32 HD2 ASN 32 -15.053 -11.900 0.606 235 H ARG 33 HN ARG 33 -13.429 -10.649 -2.975 236 HA ARG 33 HA ARG 33 -12.129 -9.513 -5.379 237 1HB ARG 33 HB3 ARG 33 -11.940 -12.272 -4.479 238 2HB ARG 33 HB2 ARG 33 -13.016 -12.336 -5.874 239 1HG ARG 33 HG3 ARG 33 -11.218 -12.381 -7.169 240 2HG ARG 33 HG2 ARG 33 -10.874 -10.664 -6.795 241 1HD ARG 33 HD3 ARG 33 -9.825 -13.137 -5.200 242 2HD ARG 33 HD2 ARG 33 -8.916 -12.243 -6.479 243 HE ARG 33 HE ARG 33 -9.966 -10.383 -4.395 244 1HH1 ARG 33 HH1 ARG 33 -7.402 -12.899 -4.739 245 2HH1 ARG 33 HH1 ARG 33 -6.640 -12.337 -3.290 246 1HH2 ARG 33 HH2 ARG 33 -8.935 -9.809 -2.768 247 2HH2 ARG 33 HH2 ARG 33 -7.650 -10.709 -2.038 248 H CYS 34 HN CYS 34 -13.521 -9.948 -7.340 249 HA CYS 34 HA CYS 34 -16.253 -9.142 -6.851 250 1HB CYS 34 HB3 CYS 34 -16.194 -9.243 -9.492 251 2HB CYS 34 HB2 CYS 34 -15.262 -8.011 -8.612 252 1HN NH2 35 HT1 CYS 34 -16.060 -11.723 -5.698 253 2HN NH2 35 HT2 CYS 34 -16.947 -12.853 -6.727 Start of MODEL 7 1 2H ALA 1 HN2 ALA 1 -1.475 -4.477 0.787 2 H ALA 1 HN ALA 1 -1.458 -4.142 2.458 3 3H ALA 1 HN3 ALA 1 -2.909 -4.047 1.629 4 HA ALA 1 HA ALA 1 -0.509 -2.314 1.204 5 1HB ALA 1 HB1 ALA 1 -1.958 -1.012 -0.439 6 2HB ALA 1 HB2 ALA 1 -1.931 -2.727 -0.885 7 3HB ALA 1 HB3 ALA 1 -3.361 -2.055 -0.038 8 H SER 2 HN SER 2 -1.395 0.237 1.694 9 HA SER 2 HA SER 2 -2.571 0.124 4.385 10 1HB SER 2 HB3 SER 2 -0.637 2.212 3.210 11 2HB SER 2 HB2 SER 2 -1.323 2.193 4.887 12 HG SER 2 HG SER 2 0.791 1.252 4.731 13 H CYS 3 HN CYS 3 -4.195 1.611 4.942 14 HA CYS 3 HA CYS 3 -5.253 3.448 2.878 15 1HB CYS 3 HB2 CYS 3 -7.658 2.446 3.265 16 2HB CYS 3 HB3 CYS 3 -6.482 1.472 2.382 17 H ARG 4 HN ARG 4 -7.411 4.466 4.074 18 HA ARG 4 HA ARG 4 -6.703 5.128 6.880 19 1HB ARG 4 HB2 ARG 4 -8.145 7.194 5.061 20 2HB ARG 4 HB3 ARG 4 -7.567 7.311 6.707 21 1HG ARG 4 HG3 ARG 4 -5.901 8.507 5.643 22 2HG ARG 4 HG2 ARG 4 -5.204 6.871 5.953 23 1HD ARG 4 HD2 ARG 4 -5.485 6.336 3.468 24 2HD ARG 4 HD3 ARG 4 -5.979 8.064 3.167 25 HE ARG 4 HE ARG 4 -3.669 8.242 4.714 26 1HH1 ARG 4 HH1 ARG 4 -4.372 6.733 1.604 27 2HH1 ARG 4 HH1 ARG 4 -2.690 6.456 1.278 28 1HH2 ARG 4 HH2 ARG 4 -1.567 8.267 3.946 29 2HH2 ARG 4 HH2 ARG 4 -1.175 7.533 2.421 30 H THR 5 HN THR 5 -9.279 5.271 4.373 31 HA THR 5 HA THR 5 -11.138 3.779 6.058 32 HB THR 5 HB THR 5 -12.970 4.984 4.835 33 HG1 THR 5 HG1 THR 5 -12.300 6.976 3.843 34 1HG2 THR 5 HG2 THR 5 -12.721 7.156 6.062 35 2HG2 THR 5 HG2 THR 5 -12.151 5.802 7.098 36 3HG2 THR 5 HG2 THR 5 -10.956 6.871 6.280 37 HA PRO 6 HA PRO 6 -10.839 0.830 2.729 38 1HB PRO 6 HB3 PRO 6 -13.929 0.842 2.554 39 2HB PRO 6 HB2 PRO 6 -12.816 -0.572 2.626 40 1HG PRO 6 HG3 PRO 6 -14.094 0.254 4.897 41 2HG PRO 6 HG2 PRO 6 -12.289 0.029 4.993 42 1HD PRO 6 HD2 PRO 6 -13.768 2.670 4.496 43 2HD PRO 6 HD3 PRO 6 -12.545 2.219 5.786 44 H LYS 7 HN LYS 7 -12.565 3.673 1.854 45 HA LYS 7 HA LYS 7 -12.917 3.226 -0.953 46 1HB LYS 7 HB3 LYS 7 -14.289 4.734 0.553 47 2HB LYS 7 HB2 LYS 7 -12.986 5.964 0.473 48 1HG LYS 7 HG3 LYS 7 -14.324 4.757 -2.035 49 2HG LYS 7 HG2 LYS 7 -15.188 5.957 -1.027 50 1HD LYS 7 HD3 LYS 7 -13.426 7.644 -1.343 51 2HD LYS 7 HD2 LYS 7 -12.491 6.519 -2.383 52 1HE LYS 7 HE3 LYS 7 -15.320 7.602 -3.003 53 2HE LYS 7 HE2 LYS 7 -13.766 8.147 -3.763 54 1HZ LYS 7 HZ1 LYS 7 -13.455 5.918 -4.596 55 2HZ LYS 7 HZ2 LYS 7 -14.906 5.403 -3.880 56 3HZ LYS 7 HZ3 LYS 7 -14.936 6.564 -5.120 57 H ASP 8 HN ASP 8 -10.055 4.040 0.947 58 HA ASP 8 HA ASP 8 -8.658 5.325 -1.256 59 1HB ASP 8 HB3 ASP 8 -7.600 4.401 1.503 60 2HB ASP 8 HB2 ASP 8 -6.768 5.493 0.329 61 H CYS 9 HN CYS 9 -9.381 2.018 -0.601 62 HA CYS 9 HA CYS 9 -6.729 1.142 -1.555 63 1HB CYS 9 HB3 CYS 9 -7.780 0.500 0.740 64 2HB CYS 9 HB2 CYS 9 -8.716 -0.708 -0.164 65 H ALA 10 HN ALA 10 -9.640 1.864 -2.883 66 HA ALA 10 HA ALA 10 -10.328 -0.259 -4.455 67 1HB ALA 10 HB1 ALA 10 -11.739 1.725 -3.973 68 2HB ALA 10 HB2 ALA 10 -10.692 2.753 -5.009 69 3HB ALA 10 HB3 ALA 10 -11.683 1.423 -5.732 70 H ASP 11 HN ASP 11 -7.850 2.117 -5.131 71 HA ASP 11 HA ASP 11 -7.252 1.094 -7.788 72 1HB ASP 11 HB2 ASP 11 -5.832 3.300 -6.188 73 2HB ASP 11 HB3 ASP 11 -5.509 2.871 -7.911 74 HA PRO 12 HA PRO 12 -3.319 -0.746 -5.692 75 1HB PRO 12 HB3 PRO 12 -3.266 -1.069 -2.868 76 2HB PRO 12 HB2 PRO 12 -2.537 0.306 -3.767 77 1HG PRO 12 HG3 PRO 12 -5.301 0.062 -2.577 78 2HG PRO 12 HG2 PRO 12 -4.151 1.405 -2.242 79 1HD PRO 12 HD2 PRO 12 -6.101 1.791 -4.039 80 2HD PRO 12 HD3 PRO 12 -4.411 2.242 -4.544 81 H CYS 13 HN CYS 13 -6.595 -1.441 -4.282 82 HA CYS 13 HA CYS 13 -6.093 -4.322 -4.294 83 1HB CYS 13 HB2 CYS 13 -7.479 -3.326 -2.559 84 2HB CYS 13 HB3 CYS 13 -8.685 -2.825 -3.768 85 H ARG 14 HN ARG 14 -7.628 -2.015 -6.629 86 HA ARG 14 HA ARG 14 -8.395 -4.055 -8.558 87 1HB ARG 14 HB3 ARG 14 -9.605 -2.056 -8.456 88 2HB ARG 14 HB2 ARG 14 -8.151 -1.033 -8.753 89 1HG ARG 14 HG3 ARG 14 -7.988 -1.788 -11.055 90 2HG ARG 14 HG2 ARG 14 -9.176 -3.092 -10.754 91 1HD ARG 14 HD3 ARG 14 -9.907 -0.861 -12.140 92 2HD ARG 14 HD2 ARG 14 -11.074 -1.796 -11.147 93 HE ARG 14 HE ARG 14 -9.534 0.157 -9.603 94 1HH1 ARG 14 HH1 ARG 14 -12.456 0.326 -11.455 95 2HH1 ARG 14 HH1 ARG 14 -13.382 0.854 -10.105 96 1HH2 ARG 14 HH2 ARG 14 -10.726 0.531 -7.884 97 2HH2 ARG 14 HH2 ARG 14 -12.377 1.031 -8.071 98 H LYS 15 HN LYS 15 -5.504 -1.949 -8.081 99 HA LYS 15 HA LYS 15 -4.235 -2.656 -10.496 100 1HB LYS 15 HB3 LYS 15 -3.905 -0.566 -9.112 101 2HB LYS 15 HB2 LYS 15 -2.971 -1.508 -7.916 102 1HG LYS 15 HG2 LYS 15 -1.266 -1.995 -9.738 103 2HG LYS 15 HG3 LYS 15 -2.278 -1.041 -10.891 104 1HD LYS 15 HD3 LYS 15 -2.074 0.962 -9.545 105 2HD LYS 15 HD2 LYS 15 -1.089 0.090 -8.308 106 1HE LYS 15 HE3 LYS 15 0.718 -0.303 -10.019 107 2HE LYS 15 HE2 LYS 15 -0.260 0.594 -11.252 108 1HZ LYS 15 HZ1 LYS 15 -0.169 2.530 -9.829 109 2HZ LYS 15 HZ2 LYS 15 0.748 1.687 -8.675 110 3HZ LYS 15 HZ3 LYS 15 1.390 1.981 -10.218 111 H GLU 16 HN GLU 16 -4.172 -4.075 -7.254 112 HA GLU 16 HA GLU 16 -2.101 -6.036 -8.026 113 1HB GLU 16 HB3 GLU 16 -1.742 -6.759 -5.783 114 2HB GLU 16 HB2 GLU 16 -1.783 -4.989 -5.718 115 1HG GLU 16 HG3 GLU 16 -4.387 -5.473 -5.119 116 2HG GLU 16 HG2 GLU 16 -3.750 -7.109 -4.714 117 H THR 17 HN THR 17 -5.665 -6.164 -7.108 118 HA THR 17 HA THR 17 -5.631 -8.926 -8.147 119 HB THR 17 HB THR 17 -7.707 -9.376 -7.120 120 HG1 THR 17 HG1 THR 17 -7.655 -6.670 -6.127 121 1HG2 THR 17 HG2 THR 17 -5.869 -7.963 -5.072 122 2HG2 THR 17 HG2 THR 17 -7.018 -9.281 -4.771 123 3HG2 THR 17 HG2 THR 17 -5.562 -9.592 -5.785 124 H GLY 18 HN GLY 18 -8.327 -6.814 -8.104 125 1HA GLY 18 HA1 GLY 18 -8.318 -5.587 -10.576 126 2HA GLY 18 HA2 GLY 18 -9.094 -7.178 -10.832 127 H CYS 19 HN CYS 19 -10.047 -6.989 -7.852 128 HA CYS 19 HA CYS 19 -12.347 -5.216 -8.520 129 1HB CYS 19 HB2 CYS 19 -12.216 -7.901 -7.181 130 2HB CYS 19 HB3 CYS 19 -13.587 -6.785 -6.844 131 HA PRO 20 HA PRO 20 -10.909 -2.795 -4.991 132 1HB PRO 20 HB3 PRO 20 -13.054 -0.939 -4.859 133 2HB PRO 20 HB2 PRO 20 -11.908 -0.998 -6.244 134 1HG PRO 20 HG3 PRO 20 -14.546 -2.207 -6.054 135 2HG PRO 20 HG2 PRO 20 -13.914 -1.167 -7.393 136 1HD PRO 20 HD3 PRO 20 -13.893 -3.917 -7.626 137 2HD PRO 20 HD2 PRO 20 -12.478 -2.898 -8.200 138 H TYR 21 HN TYR 21 -11.445 -5.047 -3.917 139 HA TYR 21 HA TYR 21 -13.481 -4.769 -1.759 140 1HB TYR 21 HB3 TYR 21 -12.503 -7.218 -3.437 141 2HB TYR 21 HB2 TYR 21 -12.928 -7.511 -1.763 142 HD1 TYR 21 HD1 TYR 21 -14.289 -6.085 -4.904 143 HD2 TYR 21 HD2 TYR 21 -15.095 -7.264 -0.855 144 HE1 TYR 21 HE1 TYR 21 -16.717 -5.832 -5.324 145 HE2 TYR 21 HE2 TYR 21 -17.522 -7.009 -1.253 146 HH TYR 21 HH TYR 21 -18.744 -5.815 -4.400 147 H GLY 22 HN GLY 22 -11.517 -3.255 -1.107 148 1HA GLY 22 HA1 GLY 22 -9.693 -4.907 0.657 149 2HA GLY 22 HA2 GLY 22 -9.236 -3.378 -0.053 150 H LYS 23 HN LYS 23 -10.660 -4.953 2.696 151 HA LYS 23 HA LYS 23 -12.000 -2.622 3.733 152 1HB LYS 23 HB2 LYS 23 -13.076 -4.871 4.012 153 2HB LYS 23 HB3 LYS 23 -11.671 -5.413 4.994 154 1HG LYS 23 HG2 LYS 23 -13.591 -4.868 6.392 155 2HG LYS 23 HG3 LYS 23 -12.320 -3.660 6.743 156 1HD LYS 23 HD2 LYS 23 -13.513 -2.036 5.185 157 2HD LYS 23 HD3 LYS 23 -14.808 -3.253 4.957 158 1HE LYS 23 HE2 LYS 23 -15.398 -3.096 7.387 159 2HE LYS 23 HE3 LYS 23 -14.036 -1.934 7.653 160 1HZ LYS 23 HZ1 LYS 23 -16.361 -1.511 5.843 161 2HZ LYS 23 HZ2 LYS 23 -16.123 -0.808 7.371 162 3HZ LYS 23 HZ3 LYS 23 -15.074 -0.430 6.090 163 H CYS 24 HN CYS 24 -11.357 -1.520 5.497 164 HA CYS 24 HA CYS 24 -8.479 -1.543 6.073 165 1HB CYS 24 HB3 CYS 24 -9.955 0.412 4.947 166 2HB CYS 24 HB2 CYS 24 -10.327 0.866 6.603 167 H MET 25 HN MET 25 -7.906 -2.401 7.969 168 HA MET 25 HA MET 25 -9.396 -1.621 10.416 169 1HB MET 25 HB3 MET 25 -8.384 -4.472 9.769 170 2HB MET 25 HB2 MET 25 -8.943 -3.943 11.383 171 1HG MET 25 HG2 MET 25 -10.683 -4.098 8.860 172 2HG MET 25 HG3 MET 25 -10.610 -5.286 10.194 173 1HE MET 25 HE1 MET 25 -13.112 -5.337 10.504 174 2HE MET 25 HE2 MET 25 -14.182 -3.909 10.696 175 3HE MET 25 HE3 MET 25 -13.312 -4.178 9.145 176 H ASN 26 HN ASN 26 -7.956 -0.534 11.678 177 HA ASN 26 HA ASN 26 -6.139 0.421 12.370 178 1HB ASN 26 HB2 ASN 26 -5.843 -2.186 12.973 179 2HB ASN 26 HB3 ASN 26 -4.341 -2.054 12.019 180 1HD2 ASN 26 HD2 ASN 26 -3.546 0.664 12.933 181 2HD2 ASN 26 HD2 ASN 26 -3.334 0.524 14.681 182 H ARG 27 HN ARG 27 -6.574 0.717 9.529 183 HA ARG 27 HA ARG 27 -5.839 1.836 7.847 184 1HB ARG 27 HB2 ARG 27 -3.359 2.314 9.374 185 2HB ARG 27 HB3 ARG 27 -3.716 3.112 7.820 186 1HG ARG 27 HG3 ARG 27 -5.823 4.069 8.686 187 2HG ARG 27 HG2 ARG 27 -5.573 3.294 10.278 188 1HD ARG 27 HD2 ARG 27 -4.308 5.005 11.057 189 2HD ARG 27 HD3 ARG 27 -3.176 4.829 9.674 190 HE ARG 27 HE ARG 27 -4.194 6.625 8.608 191 1HH1 ARG 27 HH1 ARG 27 -6.483 5.538 10.976 192 2HH1 ARG 27 HH1 ARG 27 -7.371 7.035 10.980 193 1HH2 ARG 27 HH2 ARG 27 -5.315 8.501 8.590 194 2HH2 ARG 27 HH2 ARG 27 -6.642 8.740 9.684 195 H LYS 28 HN LYS 28 -5.321 -1.189 8.073 196 HA LYS 28 HA LYS 28 -3.475 -1.436 5.763 197 1HB LYS 28 HB2 LYS 28 -4.014 -3.447 8.053 198 2HB LYS 28 HB3 LYS 28 -3.012 -3.776 6.598 199 1HG LYS 28 HG2 LYS 28 -1.496 -1.878 7.223 200 2HG LYS 28 HG3 LYS 28 -2.402 -1.682 8.759 201 1HD LYS 28 HD2 LYS 28 -1.930 -4.046 9.379 202 2HD LYS 28 HD3 LYS 28 -0.946 -4.255 7.888 203 1HE LYS 28 HE2 LYS 28 -0.350 -2.235 10.160 204 2HE LYS 28 HE3 LYS 28 0.504 -3.808 9.876 205 1HZ LYS 28 HZ1 LYS 28 0.384 -1.519 7.985 206 2HZ LYS 28 HZ2 LYS 28 1.700 -1.954 8.968 207 3HZ LYS 28 HZ3 LYS 28 1.186 -2.994 7.727 208 H CYS 29 HN CYS 29 -4.155 -2.553 3.971 209 HA CYS 29 HA CYS 29 -7.020 -3.157 3.803 210 1HB CYS 29 HB2 CYS 29 -4.970 -3.370 1.499 211 2HB CYS 29 HB3 CYS 29 -6.758 -3.340 1.398 212 H LYS 30 HN LYS 30 -7.867 -5.130 3.852 213 HA LYS 30 HA LYS 30 -6.229 -7.507 3.160 214 1HB LYS 30 HB2 LYS 30 -8.921 -7.422 4.673 215 2HB LYS 30 HB3 LYS 30 -7.889 -8.849 4.312 216 1HG LYS 30 HG2 LYS 30 -7.153 -8.504 6.453 217 2HG LYS 30 HG3 LYS 30 -6.025 -7.399 5.611 218 1HD LYS 30 HD2 LYS 30 -6.784 -6.163 7.470 219 2HD LYS 30 HD3 LYS 30 -7.783 -5.513 6.136 220 1HE LYS 30 HE3 LYS 30 -9.209 -5.826 8.073 221 2HE LYS 30 HE2 LYS 30 -9.664 -7.134 6.913 222 1HZ LYS 30 HZ1 LYS 30 -9.440 -7.941 9.151 223 2HZ LYS 30 HZ2 LYS 30 -8.244 -8.632 8.162 224 3HZ LYS 30 HZ3 LYS 30 -7.835 -7.394 9.249 225 H CYS 31 HN CYS 31 -6.315 -7.551 0.953 226 HA CYS 31 HA CYS 31 -8.619 -6.651 -0.527 227 1HB CYS 31 HB2 CYS 31 -6.386 -6.096 -1.210 228 2HB CYS 31 HB3 CYS 31 -6.005 -7.796 -1.593 229 H ASN 32 HN ASN 32 -10.258 -7.753 -0.916 230 HA ASN 32 HA ASN 32 -10.314 -10.722 -1.120 231 1HB ASN 32 HB3 ASN 32 -12.394 -8.622 -0.147 232 2HB ASN 32 HB2 ASN 32 -12.816 -10.363 -0.367 233 1HD2 ASN 32 HD2 ASN 32 -10.519 -8.382 1.701 234 2HD2 ASN 32 HD2 ASN 32 -10.677 -9.647 2.902 235 H ARG 33 HN ARG 33 -13.083 -10.517 -2.616 236 HA ARG 33 HA ARG 33 -12.238 -9.361 -5.125 237 1HB ARG 33 HB3 ARG 33 -11.731 -12.060 -4.548 238 2HB ARG 33 HB2 ARG 33 -13.325 -12.245 -5.264 239 1HG ARG 33 HG2 ARG 33 -11.543 -12.604 -6.852 240 2HG ARG 33 HG3 ARG 33 -12.460 -11.167 -7.402 241 1HD ARG 33 HD2 ARG 33 -9.834 -11.042 -7.618 242 2HD ARG 33 HD3 ARG 33 -10.627 -9.680 -6.755 243 HE ARG 33 HE ARG 33 -9.795 -10.365 -4.689 244 1HH1 ARG 33 HH1 ARG 33 -9.248 -13.044 -6.908 245 2HH1 ARG 33 HH1 ARG 33 -8.147 -13.905 -5.846 246 1HH2 ARG 33 HH2 ARG 33 -8.169 -11.275 -3.576 247 2HH2 ARG 33 HH2 ARG 33 -7.476 -12.834 -3.966 248 H CYS 34 HN CYS 34 -14.022 -9.625 -6.749 249 HA CYS 34 HA CYS 34 -16.598 -8.873 -5.681 250 1HB CYS 34 HB2 CYS 34 -17.013 -8.723 -8.283 251 2HB CYS 34 HB3 CYS 34 -15.910 -7.553 -7.507 252 1HN NH2 35 HT1 CYS 34 -16.605 -11.246 -4.663 253 2HN NH2 35 HT2 CYS 34 -17.460 -12.418 -5.659 Start of MODEL 8 1 2H ALA 1 HN2 ALA 1 -0.325 -2.250 2.886 2 H ALA 1 HN ALA 1 0.476 -0.881 3.483 3 3H ALA 1 HN3 ALA 1 -1.189 -1.026 3.717 4 HA ALA 1 HA ALA 1 0.233 -0.400 1.199 5 1HB ALA 1 HB1 ALA 1 -1.570 -2.196 0.836 6 2HB ALA 1 HB2 ALA 1 -2.801 -1.076 1.510 7 3HB ALA 1 HB3 ALA 1 -1.943 -0.729 -0.045 8 H SER 2 HN SER 2 -2.155 1.549 0.778 9 HA SER 2 HA SER 2 -1.958 3.227 3.165 10 1HB SER 2 HB3 SER 2 -1.327 4.164 0.310 11 2HB SER 2 HB2 SER 2 -1.727 5.278 1.681 12 HG SER 2 HG SER 2 0.534 4.858 1.356 13 H CYS 3 HN CYS 3 -4.067 3.211 3.814 14 HA CYS 3 HA CYS 3 -6.138 4.236 2.198 15 1HB CYS 3 HB2 CYS 3 -7.773 2.351 2.635 16 2HB CYS 3 HB3 CYS 3 -6.453 1.890 1.536 17 H ARG 4 HN ARG 4 -8.006 4.582 3.890 18 HA ARG 4 HA ARG 4 -6.916 4.847 6.654 19 1HB ARG 4 HB2 ARG 4 -8.410 6.948 4.984 20 2HB ARG 4 HB3 ARG 4 -8.354 7.002 6.778 21 1HG ARG 4 HG3 ARG 4 -5.982 7.106 6.894 22 2HG ARG 4 HG2 ARG 4 -5.782 7.012 5.115 23 1HD ARG 4 HD3 ARG 4 -5.439 9.309 6.149 24 2HD ARG 4 HD2 ARG 4 -6.695 9.348 4.854 25 HE ARG 4 HE ARG 4 -7.766 8.801 7.574 26 1HH1 ARG 4 HH2 ARG 4 -6.579 11.465 5.650 27 2HH1 ARG 4 HH2 ARG 4 -7.596 12.615 6.465 28 1HH2 ARG 4 HH1 ARG 4 -9.246 10.198 8.298 29 2HH2 ARG 4 HH1 ARG 4 -9.057 11.901 8.017 30 H THR 5 HN THR 5 -9.935 5.200 4.678 31 HA THR 5 HA THR 5 -11.344 3.424 6.531 32 HB THR 5 HB THR 5 -13.430 4.379 5.566 33 HG1 THR 5 HG1 THR 5 -12.850 6.581 4.621 34 1HG2 THR 5 HG2 THR 5 -12.415 5.302 7.711 35 2HG2 THR 5 HG2 THR 5 -11.515 6.533 6.764 36 3HG2 THR 5 HG2 THR 5 -13.307 6.546 6.777 37 HA PRO 6 HA PRO 6 -11.264 0.304 3.387 38 1HB PRO 6 HB3 PRO 6 -14.334 0.196 3.716 39 2HB PRO 6 HB2 PRO 6 -13.180 -1.175 3.557 40 1HG PRO 6 HG2 PRO 6 -13.930 -0.460 6.073 41 2HG PRO 6 HG3 PRO 6 -12.128 -0.455 5.754 42 1HD PRO 6 HD3 PRO 6 -13.975 1.985 5.551 43 2HD PRO 6 HD2 PRO 6 -12.485 1.713 6.583 44 H LYS 7 HN LYS 7 -13.466 2.927 2.545 45 HA LYS 7 HA LYS 7 -13.898 2.121 -0.195 46 1HB LYS 7 HB3 LYS 7 -14.477 4.788 1.193 47 2HB LYS 7 HB2 LYS 7 -15.085 4.244 -0.415 48 1HG LYS 7 HG3 LYS 7 -16.263 2.330 0.670 49 2HG LYS 7 HG2 LYS 7 -15.662 2.862 2.274 50 1HD LYS 7 HD3 LYS 7 -16.833 5.084 1.943 51 2HD LYS 7 HD2 LYS 7 -17.531 4.432 0.419 52 1HE LYS 7 HE3 LYS 7 -19.188 4.208 2.255 53 2HE LYS 7 HE2 LYS 7 -18.608 2.556 1.785 54 1HZ LYS 7 HZ1 LYS 7 -18.686 2.854 4.156 55 2HZ LYS 7 HZ2 LYS 7 -17.081 2.635 3.645 56 3HZ LYS 7 HZ3 LYS 7 -17.631 4.181 4.079 57 H ASP 8 HN ASP 8 -10.968 3.221 1.215 58 HA ASP 8 HA ASP 8 -10.190 4.834 -1.107 59 1HB ASP 8 HB3 ASP 8 -8.780 4.377 1.597 60 2HB ASP 8 HB2 ASP 8 -8.215 5.461 0.260 61 H CYS 9 HN CYS 9 -10.100 1.431 -0.169 62 HA CYS 9 HA CYS 9 -7.459 1.082 -1.329 63 1HB CYS 9 HB3 CYS 9 -8.248 -0.189 0.823 64 2HB CYS 9 HB2 CYS 9 -9.054 -1.290 -0.287 65 H ALA 10 HN ALA 10 -9.111 2.115 -3.092 66 HA ALA 10 HA ALA 10 -10.038 0.113 -5.011 67 1HB ALA 10 HB1 ALA 10 -10.744 2.032 -6.418 68 2HB ALA 10 HB2 ALA 10 -11.331 2.185 -4.735 69 3HB ALA 10 HB3 ALA 10 -9.936 3.182 -5.279 70 H ASP 11 HN ASP 11 -7.484 2.766 -5.156 71 HA ASP 11 HA ASP 11 -6.257 1.547 -7.402 72 1HB ASP 11 HB3 ASP 11 -6.488 4.045 -6.851 73 2HB ASP 11 HB2 ASP 11 -5.124 3.851 -5.698 74 HA PRO 12 HA PRO 12 -2.839 0.011 -4.426 75 1HB PRO 12 HB3 PRO 12 -4.033 -0.238 -1.649 76 2HB PRO 12 HB2 PRO 12 -2.471 0.489 -2.168 77 1HG PRO 12 HG2 PRO 12 -4.709 1.896 -1.287 78 2HG PRO 12 HG3 PRO 12 -3.478 2.600 -2.428 79 1HD PRO 12 HD3 PRO 12 -6.199 1.376 -3.065 80 2HD PRO 12 HD2 PRO 12 -5.420 2.868 -3.758 81 H CYS 13 HN CYS 13 -6.278 -1.040 -3.877 82 HA CYS 13 HA CYS 13 -5.418 -3.811 -3.642 83 1HB CYS 13 HB2 CYS 13 -7.418 -3.136 -2.343 84 2HB CYS 13 HB3 CYS 13 -8.271 -2.811 -3.881 85 H ARG 14 HN ARG 14 -6.362 -1.641 -6.325 86 HA ARG 14 HA ARG 14 -7.080 -3.480 -8.250 87 1HB ARG 14 HB3 ARG 14 -7.487 -1.184 -8.487 88 2HB ARG 14 HB2 ARG 14 -5.738 -0.750 -8.521 89 1HG ARG 14 HG3 ARG 14 -5.505 -1.907 -10.702 90 2HG ARG 14 HG2 ARG 14 -7.156 -2.596 -10.533 91 1HD ARG 14 HD2 ARG 14 -6.518 0.382 -11.199 92 2HD ARG 14 HD3 ARG 14 -7.248 -0.905 -12.247 93 HE ARG 14 HE ARG 14 -8.761 -0.495 -9.738 94 1HH1 ARG 14 HH1 ARG 14 -8.420 0.717 -13.022 95 2HH1 ARG 14 HH1 ARG 14 -9.881 1.625 -12.897 96 1HH2 ARG 14 HH2 ARG 14 -10.747 0.529 -9.788 97 2HH2 ARG 14 HH2 ARG 14 -11.120 1.584 -11.106 98 H LYS 15 HN LYS 15 -3.913 -2.991 -6.943 99 HA LYS 15 HA LYS 15 -2.528 -4.216 -9.172 100 1HB LYS 15 HB2 LYS 15 -1.511 -2.343 -7.961 101 2HB LYS 15 HB3 LYS 15 -1.575 -3.228 -6.407 102 1HG LYS 15 HG3 LYS 15 0.103 -4.830 -7.158 103 2HG LYS 15 HG2 LYS 15 0.045 -4.227 -8.846 104 1HD LYS 15 HD3 LYS 15 0.948 -2.510 -6.441 105 2HD LYS 15 HD2 LYS 15 2.054 -3.555 -7.398 106 1HE LYS 15 HE3 LYS 15 1.476 -2.281 -9.496 107 2HE LYS 15 HE2 LYS 15 0.474 -1.142 -8.507 108 1HZ LYS 15 HZ1 LYS 15 3.379 -1.693 -8.156 109 2HZ LYS 15 HZ2 LYS 15 2.689 -0.319 -8.877 110 3HZ LYS 15 HZ3 LYS 15 2.446 -0.623 -7.224 111 H GLU 16 HN GLU 16 -4.046 -5.282 -6.130 112 HA GLU 16 HA GLU 16 -2.808 -7.946 -6.376 113 1HB GLU 16 HB2 GLU 16 -3.192 -8.415 -3.989 114 2HB GLU 16 HB3 GLU 16 -2.174 -6.970 -4.261 115 1HG GLU 16 HG2 GLU 16 -4.365 -5.604 -3.990 116 2HG GLU 16 HG3 GLU 16 -5.113 -7.115 -3.367 117 H THR 17 HN THR 17 -6.231 -6.738 -5.543 118 HA THR 17 HA THR 17 -6.996 -9.416 -6.594 119 HB THR 17 HB THR 17 -9.098 -9.446 -5.695 120 HG1 THR 17 HG1 THR 17 -9.959 -7.894 -4.449 121 1HG2 THR 17 HG2 THR 17 -8.543 -9.565 -3.319 122 2HG2 THR 17 HG2 THR 17 -7.142 -10.150 -4.276 123 3HG2 THR 17 HG2 THR 17 -7.102 -8.503 -3.543 124 H GLY 18 HN GLY 18 -7.007 -6.102 -7.383 125 1HA GLY 18 HA1 GLY 18 -7.391 -5.195 -9.447 126 2HA GLY 18 HA2 GLY 18 -8.445 -6.553 -9.903 127 H CYS 19 HN CYS 19 -9.649 -6.048 -7.136 128 HA CYS 19 HA CYS 19 -11.817 -4.274 -8.109 129 1HB CYS 19 HB2 CYS 19 -11.683 -6.837 -6.419 130 2HB CYS 19 HB3 CYS 19 -13.171 -5.867 -6.413 131 HA PRO 20 HA PRO 20 -11.406 -2.077 -4.101 132 1HB PRO 20 HB3 PRO 20 -13.501 -0.310 -4.322 133 2HB PRO 20 HB2 PRO 20 -12.186 -0.276 -5.531 134 1HG PRO 20 HG3 PRO 20 -14.839 -1.383 -5.920 135 2HG PRO 20 HG2 PRO 20 -13.791 -0.484 -7.097 136 1HD PRO 20 HD2 PRO 20 -14.039 -3.384 -6.866 137 2HD PRO 20 HD3 PRO 20 -12.787 -2.439 -7.819 138 H TYR 21 HN TYR 21 -12.168 -4.645 -3.627 139 HA TYR 21 HA TYR 21 -14.672 -4.547 -1.989 140 1HB TYR 21 HB2 TYR 21 -13.910 -6.437 -4.251 141 2HB TYR 21 HB3 TYR 21 -14.390 -7.348 -2.826 142 HD1 TYR 21 HD1 TYR 21 -15.871 -4.048 -4.245 143 HD2 TYR 21 HD2 TYR 21 -16.386 -8.206 -3.237 144 HE1 TYR 21 HE1 TYR 21 -18.237 -3.908 -4.846 145 HE2 TYR 21 HE2 TYR 21 -18.734 -8.072 -3.869 146 HH TYR 21 HH TYR 21 -20.387 -6.761 -4.756 147 H GLY 22 HN GLY 22 -12.764 -3.655 -0.568 148 1HA GLY 22 HA1 GLY 22 -11.838 -5.992 1.017 149 2HA GLY 22 HA2 GLY 22 -10.611 -4.740 0.412 150 H LYS 23 HN LYS 23 -10.868 -5.556 3.109 151 HA LYS 23 HA LYS 23 -12.125 -3.229 4.404 152 1HB LYS 23 HB2 LYS 23 -12.812 -5.471 5.182 153 2HB LYS 23 HB3 LYS 23 -11.124 -5.901 5.584 154 1HG LYS 23 HG2 LYS 23 -11.141 -4.182 7.425 155 2HG LYS 23 HG3 LYS 23 -12.801 -3.688 6.941 156 1HD LYS 23 HD3 LYS 23 -13.616 -6.011 7.323 157 2HD LYS 23 HD2 LYS 23 -11.975 -6.496 7.880 158 1HE LYS 23 HE2 LYS 23 -12.167 -4.923 9.824 159 2HE LYS 23 HE3 LYS 23 -13.780 -4.357 9.221 160 1HZ LYS 23 HZ1 LYS 23 -13.979 -6.017 10.925 161 2HZ LYS 23 HZ2 LYS 23 -14.589 -6.606 9.453 162 3HZ LYS 23 HZ3 LYS 23 -13.076 -7.136 10.018 163 H CYS 24 HN CYS 24 -10.837 -2.008 5.904 164 HA CYS 24 HA CYS 24 -7.929 -2.053 5.416 165 1HB CYS 24 HB2 CYS 24 -9.026 -0.379 3.965 166 2HB CYS 24 HB3 CYS 24 -9.862 0.298 5.389 167 H MET 25 HN MET 25 -7.132 -2.672 7.304 168 HA MET 25 HA MET 25 -8.071 -1.399 9.822 169 1HB MET 25 HB3 MET 25 -7.031 -4.286 9.456 170 2HB MET 25 HB2 MET 25 -7.277 -3.469 11.032 171 1HG MET 25 HG3 MET 25 -9.455 -4.229 9.005 172 2HG MET 25 HG2 MET 25 -9.089 -5.022 10.552 173 1HE MET 25 HE1 MET 25 -9.916 -4.426 12.782 174 2HE MET 25 HE2 MET 25 -8.719 -3.085 12.778 175 3HE MET 25 HE3 MET 25 -10.402 -2.784 13.314 176 H ASN 26 HN ASN 26 -6.630 0.167 10.065 177 HA ASN 26 HA ASN 26 -4.842 1.386 10.152 178 1HB ASN 26 HB2 ASN 26 -4.541 -0.404 12.015 179 2HB ASN 26 HB3 ASN 26 -3.159 -1.027 11.068 180 1HD2 ASN 26 HD2 ASN 26 -1.263 0.586 10.929 181 2HD2 ASN 26 HD2 ASN 26 -1.160 1.775 12.220 182 H ARG 27 HN ARG 27 -5.225 0.755 7.534 183 HA ARG 27 HA ARG 27 -4.342 1.235 5.596 184 1HB ARG 27 HB3 ARG 27 -1.536 1.188 6.758 185 2HB ARG 27 HB2 ARG 27 -1.961 1.767 5.119 186 1HG ARG 27 HG2 ARG 27 -2.819 3.781 5.862 187 2HG ARG 27 HG3 ARG 27 -3.321 3.138 7.456 188 1HD ARG 27 HD3 ARG 27 -1.341 4.709 7.622 189 2HD ARG 27 HD2 ARG 27 -1.027 3.025 8.267 190 HE ARG 27 HE ARG 27 -0.379 3.108 5.452 191 1HH1 ARG 27 HH1 ARG 27 0.960 4.251 8.501 192 2HH1 ARG 27 HH1 ARG 27 2.589 4.088 7.941 193 1HH2 ARG 27 HH2 ARG 27 1.579 2.985 4.773 194 2HH2 ARG 27 HH2 ARG 27 2.952 3.363 5.791 195 H LYS 28 HN LYS 28 -4.463 -1.691 6.781 196 HA LYS 28 HA LYS 28 -2.927 -2.992 4.581 197 1HB LYS 28 HB2 LYS 28 -3.917 -4.259 7.218 198 2HB LYS 28 HB3 LYS 28 -3.010 -5.098 5.926 199 1HG LYS 28 HG3 LYS 28 -1.973 -2.944 7.863 200 2HG LYS 28 HG2 LYS 28 -1.522 -4.666 7.738 201 1HD LYS 28 HD2 LYS 28 -0.912 -2.424 5.730 202 2HD LYS 28 HD3 LYS 28 0.245 -3.156 6.865 203 1HE LYS 28 HE2 LYS 28 0.242 -5.303 5.651 204 2HE LYS 28 HE3 LYS 28 -1.074 -4.731 4.548 205 1HZ LYS 28 HZ1 LYS 28 1.070 -4.520 3.533 206 2HZ LYS 28 HZ2 LYS 28 0.373 -2.989 3.767 207 3HZ LYS 28 HZ3 LYS 28 1.626 -3.514 4.783 208 H CYS 29 HN CYS 29 -4.102 -4.047 2.931 209 HA CYS 29 HA CYS 29 -6.996 -3.781 3.118 210 1HB CYS 29 HB2 CYS 29 -5.268 -4.168 0.641 211 2HB CYS 29 HB3 CYS 29 -7.045 -3.930 0.679 212 H LYS 30 HN LYS 30 -8.011 -5.442 3.814 213 HA LYS 30 HA LYS 30 -7.238 -8.249 3.353 214 1HB LYS 30 HB2 LYS 30 -9.459 -6.906 5.024 215 2HB LYS 30 HB3 LYS 30 -9.155 -8.677 4.991 216 1HG LYS 30 HG2 LYS 30 -7.011 -8.343 6.162 217 2HG LYS 30 HG3 LYS 30 -7.077 -6.574 5.888 218 1HD LYS 30 HD2 LYS 30 -7.632 -6.938 8.169 219 2HD LYS 30 HD3 LYS 30 -9.086 -6.341 7.309 220 1HE LYS 30 HE3 LYS 30 -10.019 -8.707 7.287 221 2HE LYS 30 HE2 LYS 30 -8.538 -9.275 8.162 222 1HZ LYS 30 HZ1 LYS 30 -10.479 -7.233 9.126 223 2HZ LYS 30 HZ2 LYS 30 -10.365 -8.847 9.646 224 3HZ LYS 30 HZ3 LYS 30 -9.093 -7.762 9.953 225 H CYS 31 HN CYS 31 -7.525 -8.030 1.079 226 HA CYS 31 HA CYS 31 -10.070 -7.023 0.102 227 1HB CYS 31 HB3 CYS 31 -7.695 -6.080 -0.334 228 2HB CYS 31 HB2 CYS 31 -7.597 -7.333 -1.579 229 H ASN 32 HN ASN 32 -11.510 -7.932 -1.139 230 HA ASN 32 HA ASN 32 -11.311 -10.822 -1.641 231 1HB ASN 32 HB3 ASN 32 -13.881 -9.034 -1.562 232 2HB ASN 32 HB2 ASN 32 -13.750 -10.821 -1.308 233 1HD2 ASN 32 HD2 ASN 32 -13.439 -7.714 0.192 234 2HD2 ASN 32 HD2 ASN 32 -13.345 -8.383 1.830 235 H ARG 33 HN ARG 33 -13.169 -11.285 -3.626 236 HA ARG 33 HA ARG 33 -12.161 -9.880 -5.960 237 1HB ARG 33 HB2 ARG 33 -13.006 -11.872 -7.161 238 2HB ARG 33 HB3 ARG 33 -12.059 -12.316 -5.762 239 1HG ARG 33 HG2 ARG 33 -13.701 -13.891 -5.785 240 2HG ARG 33 HG3 ARG 33 -13.990 -12.912 -4.329 241 1HD ARG 33 HD3 ARG 33 -15.846 -12.751 -6.877 242 2HD ARG 33 HD2 ARG 33 -15.933 -13.963 -5.551 243 HE ARG 33 HE ARG 33 -15.926 -11.055 -4.718 244 1HH1 ARG 33 HH1 ARG 33 -18.035 -13.708 -5.718 245 2HH1 ARG 33 HH1 ARG 33 -19.375 -13.091 -4.789 246 1HH2 ARG 33 HH2 ARG 33 -17.592 -10.481 -3.479 247 2HH2 ARG 33 HH2 ARG 33 -19.153 -11.247 -3.602 248 H CYS 34 HN CYS 34 -13.631 -9.220 -7.655 249 HA CYS 34 HA CYS 34 -16.439 -9.019 -7.074 250 1HB CYS 34 HB2 CYS 34 -16.735 -6.778 -7.701 251 2HB CYS 34 HB3 CYS 34 -15.418 -6.727 -6.509 252 1HN NH2 35 HT1 CYS 34 -17.566 -9.382 -9.194 253 2HN NH2 35 HT2 CYS 34 -16.619 -9.896 -10.563 Start of MODEL 9 1 2H ALA 1 HN2 ALA 1 -1.811 -4.135 1.605 2 H ALA 1 HN ALA 1 -3.269 -3.922 0.811 3 3H ALA 1 HN3 ALA 1 -1.874 -4.370 -0.095 4 HA ALA 1 HA ALA 1 -0.833 -2.254 0.441 5 1HB ALA 1 HB1 ALA 1 -3.709 -1.963 -0.741 6 2HB ALA 1 HB2 ALA 1 -2.395 -0.760 -0.973 7 3HB ALA 1 HB3 ALA 1 -2.223 -2.394 -1.646 8 H SER 2 HN SER 2 -1.496 0.236 1.189 9 HA SER 2 HA SER 2 -2.634 -0.003 3.873 10 1HB SER 2 HB3 SER 2 -0.787 2.167 2.703 11 2HB SER 2 HB2 SER 2 -1.330 2.003 4.425 12 HG SER 2 HG SER 2 0.789 1.114 3.954 13 H CYS 3 HN CYS 3 -4.079 1.753 4.657 14 HA CYS 3 HA CYS 3 -5.425 3.361 2.551 15 1HB CYS 3 HB2 CYS 3 -7.710 2.531 3.585 16 2HB CYS 3 HB3 CYS 3 -6.770 1.420 2.586 17 H ARG 4 HN ARG 4 -7.236 4.706 3.779 18 HA ARG 4 HA ARG 4 -6.227 5.653 6.418 19 1HB ARG 4 HB2 ARG 4 -7.639 7.467 4.354 20 2HB ARG 4 HB3 ARG 4 -7.196 7.855 6.055 21 1HG ARG 4 HG3 ARG 4 -4.802 7.170 5.384 22 2HG ARG 4 HG2 ARG 4 -5.325 7.605 3.721 23 1HD ARG 4 HD3 ARG 4 -4.199 9.543 4.756 24 2HD ARG 4 HD2 ARG 4 -5.954 9.982 4.727 25 HE ARG 4 HE ARG 4 -4.992 8.557 7.189 26 1HH1 ARG 4 HH1 ARG 4 -5.300 11.739 5.785 27 2HH1 ARG 4 HH1 ARG 4 -5.448 12.506 7.337 28 1HH2 ARG 4 HH2 ARG 4 -5.328 9.529 9.095 29 2HH2 ARG 4 HH2 ARG 4 -5.408 11.259 9.205 30 H THR 5 HN THR 5 -9.099 5.603 4.232 31 HA THR 5 HA THR 5 -10.683 4.225 6.261 32 HB THR 5 HB THR 5 -12.695 5.370 5.248 33 HG1 THR 5 HG1 THR 5 -12.178 7.322 4.110 34 1HG2 THR 5 HG2 THR 5 -10.537 7.282 6.404 35 2HG2 THR 5 HG2 THR 5 -12.313 7.539 6.453 36 3HG2 THR 5 HG2 THR 5 -11.576 6.196 7.398 37 HA PRO 6 HA PRO 6 -10.610 1.189 3.098 38 1HB PRO 6 HB2 PRO 6 -13.605 0.655 3.152 39 2HB PRO 6 HB3 PRO 6 -12.236 -0.442 3.493 40 1HG PRO 6 HG2 PRO 6 -13.819 0.643 5.493 41 2HG PRO 6 HG3 PRO 6 -12.034 0.511 5.736 42 1HD PRO 6 HD2 PRO 6 -13.592 2.982 4.818 43 2HD PRO 6 HD3 PRO 6 -12.334 2.791 6.135 44 H LYS 7 HN LYS 7 -12.582 3.867 2.108 45 HA LYS 7 HA LYS 7 -12.936 3.023 -0.653 46 1HB LYS 7 HB3 LYS 7 -14.625 4.414 0.436 47 2HB LYS 7 HB2 LYS 7 -13.451 5.754 0.624 48 1HG LYS 7 HG3 LYS 7 -15.035 6.157 -1.187 49 2HG LYS 7 HG2 LYS 7 -13.368 6.069 -1.835 50 1HD LYS 7 HD3 LYS 7 -13.795 3.793 -2.739 51 2HD LYS 7 HD2 LYS 7 -15.422 3.768 -1.973 52 1HE LYS 7 HE3 LYS 7 -16.098 5.765 -3.399 53 2HE LYS 7 HE2 LYS 7 -14.489 5.697 -4.222 54 1HZ LYS 7 HZ1 LYS 7 -15.033 3.468 -4.954 55 2HZ LYS 7 HZ2 LYS 7 -16.541 3.541 -4.179 56 3HZ LYS 7 HZ3 LYS 7 -16.198 4.591 -5.469 57 H ASP 8 HN ASP 8 -10.171 4.253 1.098 58 HA ASP 8 HA ASP 8 -8.914 5.491 -1.219 59 1HB ASP 8 HB3 ASP 8 -7.904 4.731 1.607 60 2HB ASP 8 HB2 ASP 8 -6.905 5.603 0.383 61 H CYS 9 HN CYS 9 -9.572 2.226 -0.425 62 HA CYS 9 HA CYS 9 -6.910 1.319 -1.301 63 1HB CYS 9 HB2 CYS 9 -8.194 0.290 0.926 64 2HB CYS 9 HB3 CYS 9 -8.917 -0.694 -0.294 65 H ALA 10 HN ALA 10 -10.085 1.681 -2.632 66 HA ALA 10 HA ALA 10 -10.622 -0.505 -4.079 67 1HB ALA 10 HB1 ALA 10 -11.100 2.399 -4.978 68 2HB ALA 10 HB2 ALA 10 -12.078 0.962 -5.462 69 3HB ALA 10 HB3 ALA 10 -12.064 1.507 -3.758 70 H ASP 11 HN ASP 11 -8.462 2.006 -5.200 71 HA ASP 11 HA ASP 11 -7.803 0.792 -7.739 72 1HB ASP 11 HB2 ASP 11 -6.547 3.287 -6.458 73 2HB ASP 11 HB3 ASP 11 -6.321 2.725 -8.153 74 HA PRO 12 HA PRO 12 -3.569 -0.315 -5.711 75 1HB PRO 12 HB3 PRO 12 -3.263 -0.263 -2.925 76 2HB PRO 12 HB2 PRO 12 -2.783 1.022 -4.077 77 1HG PRO 12 HG2 PRO 12 -5.337 0.701 -2.536 78 2HG PRO 12 HG3 PRO 12 -4.299 2.192 -2.596 79 1HD PRO 12 HD2 PRO 12 -6.551 2.010 -4.145 80 2HD PRO 12 HD3 PRO 12 -5.011 2.638 -4.884 81 H CYS 13 HN CYS 13 -6.709 -1.326 -4.288 82 HA CYS 13 HA CYS 13 -5.983 -4.086 -3.763 83 1HB CYS 13 HB3 CYS 13 -8.065 -2.533 -2.941 84 2HB CYS 13 HB2 CYS 13 -8.828 -3.106 -4.357 85 H ARG 14 HN ARG 14 -7.694 -2.282 -6.422 86 HA ARG 14 HA ARG 14 -8.081 -4.374 -8.276 87 1HB ARG 14 HB3 ARG 14 -9.392 -2.359 -8.208 88 2HB ARG 14 HB2 ARG 14 -7.966 -1.330 -8.574 89 1HG ARG 14 HG3 ARG 14 -7.869 -2.527 -10.897 90 2HG ARG 14 HG2 ARG 14 -9.309 -3.448 -10.348 91 1HD ARG 14 HD2 ARG 14 -9.225 -0.440 -11.091 92 2HD ARG 14 HD3 ARG 14 -10.028 -1.844 -11.896 93 HE ARG 14 HE ARG 14 -10.740 -1.300 -9.019 94 1HH1 ARG 14 HH1 ARG 14 -11.692 -1.104 -12.379 95 2HH1 ARG 14 HH1 ARG 14 -13.260 -0.483 -11.992 96 1HH2 ARG 14 HH2 ARG 14 -12.829 -0.388 -8.632 97 2HH2 ARG 14 HH2 ARG 14 -13.951 -0.299 -9.940 98 H LYS 15 HN LYS 15 -5.532 -1.928 -7.967 99 HA LYS 15 HA LYS 15 -4.141 -2.543 -10.360 100 1HB LYS 15 HB3 LYS 15 -4.240 -0.352 -9.109 101 2HB LYS 15 HB2 LYS 15 -3.137 -1.023 -7.870 102 1HG LYS 15 HG3 LYS 15 -1.363 -1.280 -9.645 103 2HG LYS 15 HG2 LYS 15 -2.516 -0.655 -10.885 104 1HD LYS 15 HD3 LYS 15 -2.682 1.484 -9.505 105 2HD LYS 15 HD2 LYS 15 -1.424 0.787 -8.416 106 1HE LYS 15 HE3 LYS 15 0.213 0.720 -10.327 107 2HE LYS 15 HE2 LYS 15 -1.047 1.419 -11.425 108 1HZ LYS 15 HZ1 LYS 15 0.051 2.697 -8.972 109 2HZ LYS 15 HZ2 LYS 15 0.446 3.082 -10.579 110 3HZ LYS 15 HZ3 LYS 15 -1.129 3.354 -10.002 111 H GLU 16 HN GLU 16 -3.957 -3.778 -7.119 112 HA GLU 16 HA GLU 16 -1.553 -5.408 -7.695 113 1HB GLU 16 HB2 GLU 16 -1.277 -6.047 -5.405 114 2HB GLU 16 HB3 GLU 16 -1.577 -4.296 -5.378 115 1HG GLU 16 HG3 GLU 16 -4.101 -5.057 -4.927 116 2HG GLU 16 HG2 GLU 16 -3.409 -6.665 -4.571 117 H THR 17 HN THR 17 -5.088 -6.047 -6.788 118 HA THR 17 HA THR 17 -4.769 -8.524 -8.305 119 HB THR 17 HB THR 17 -4.042 -9.003 -6.025 120 HG1 THR 17 HG1 THR 17 -6.407 -10.241 -6.905 121 1HG2 THR 17 HG2 THR 17 -5.602 -9.139 -4.171 122 2HG2 THR 17 HG2 THR 17 -5.651 -7.453 -4.795 123 3HG2 THR 17 HG2 THR 17 -6.987 -8.588 -5.169 124 H GLY 18 HN GLY 18 -6.218 -6.348 -9.330 125 1HA GLY 18 HA1 GLY 18 -7.927 -6.163 -10.602 126 2HA GLY 18 HA2 GLY 18 -8.399 -7.808 -10.155 127 H CYS 19 HN CYS 19 -9.194 -7.113 -7.432 128 HA CYS 19 HA CYS 19 -11.880 -6.157 -8.217 129 1HB CYS 19 HB2 CYS 19 -10.866 -7.787 -5.846 130 2HB CYS 19 HB3 CYS 19 -12.575 -7.291 -6.013 131 HA PRO 20 HA PRO 20 -11.628 -2.568 -5.376 132 1HB PRO 20 HB3 PRO 20 -14.114 -1.483 -5.783 133 2HB PRO 20 HB2 PRO 20 -13.035 -1.707 -7.195 134 1HG PRO 20 HG3 PRO 20 -15.149 -3.544 -6.379 135 2HG PRO 20 HG2 PRO 20 -14.953 -2.811 -8.011 136 1HD PRO 20 HD2 PRO 20 -13.910 -5.341 -7.414 137 2HD PRO 20 HD3 PRO 20 -13.030 -4.169 -8.503 138 H TYR 21 HN TYR 21 -11.710 -4.911 -3.790 139 HA TYR 21 HA TYR 21 -13.766 -4.167 -1.761 140 1HB TYR 21 HB3 TYR 21 -13.230 -7.094 -2.720 141 2HB TYR 21 HB2 TYR 21 -13.951 -6.665 -1.146 142 HD1 TYR 21 HD1 TYR 21 -16.222 -6.440 -0.928 143 HD2 TYR 21 HD2 TYR 21 -14.471 -6.229 -4.845 144 HE1 TYR 21 HE1 TYR 21 -18.441 -6.742 -1.916 145 HE2 TYR 21 HE2 TYR 21 -16.730 -6.456 -5.854 146 HH TYR 21 HH TYR 21 -19.605 -7.060 -3.841 147 H GLY 22 HN GLY 22 -12.065 -3.003 -0.607 148 1HA GLY 22 HA1 GLY 22 -10.239 -4.944 0.786 149 2HA GLY 22 HA2 GLY 22 -9.625 -3.374 0.222 150 H LYS 23 HN LYS 23 -10.306 -4.678 3.051 151 HA LYS 23 HA LYS 23 -11.971 -2.452 4.055 152 1HB LYS 23 HB3 LYS 23 -12.868 -4.816 4.389 153 2HB LYS 23 HB2 LYS 23 -11.491 -5.166 5.465 154 1HG LYS 23 HG3 LYS 23 -12.224 -3.438 7.062 155 2HG LYS 23 HG2 LYS 23 -13.583 -2.955 5.976 156 1HD LYS 23 HD3 LYS 23 -14.560 -5.201 6.109 157 2HD LYS 23 HD2 LYS 23 -13.239 -5.753 7.187 158 1HE LYS 23 HE2 LYS 23 -15.215 -3.472 7.882 159 2HE LYS 23 HE3 LYS 23 -15.378 -5.194 8.422 160 1HZ LYS 23 HZ1 LYS 23 -14.339 -3.832 10.077 161 2HZ LYS 23 HZ2 LYS 23 -13.255 -5.011 9.512 162 3HZ LYS 23 HZ3 LYS 23 -13.090 -3.396 9.012 163 H CYS 24 HN CYS 24 -11.132 -1.145 5.587 164 HA CYS 24 HA CYS 24 -8.243 -1.259 6.046 165 1HB CYS 24 HB3 CYS 24 -9.793 0.868 5.406 166 2HB CYS 24 HB2 CYS 24 -10.004 1.004 7.155 167 H MET 25 HN MET 25 -7.747 -2.741 7.488 168 HA MET 25 HA MET 25 -9.402 -3.068 9.965 169 1HB MET 25 HB3 MET 25 -7.536 -5.013 8.462 170 2HB MET 25 HB2 MET 25 -8.276 -5.383 10.051 171 1HG MET 25 HG2 MET 25 -10.558 -5.392 9.078 172 2HG MET 25 HG3 MET 25 -9.949 -5.032 7.444 173 1HE MET 25 HE1 MET 25 -11.038 -7.031 6.353 174 2HE MET 25 HE2 MET 25 -11.009 -8.694 7.021 175 3HE MET 25 HE3 MET 25 -11.804 -7.377 7.949 176 H ASN 26 HN ASN 26 -8.101 -1.022 9.988 177 HA ASN 26 HA ASN 26 -6.964 0.331 11.248 178 1HB ASN 26 HB3 ASN 26 -6.832 -1.290 13.117 179 2HB ASN 26 HB2 ASN 26 -5.220 -1.810 12.535 180 1HD2 ASN 26 HD2 ASN 26 -3.484 -0.278 12.844 181 2HD2 ASN 26 HD2 ASN 26 -3.659 1.071 13.945 182 H ARG 27 HN ARG 27 -6.314 1.144 9.126 183 HA ARG 27 HA ARG 27 -5.145 1.834 7.543 184 1HB ARG 27 HB3 ARG 27 -2.538 1.637 8.996 185 2HB ARG 27 HB2 ARG 27 -3.161 2.879 7.861 186 1HG ARG 27 HG2 ARG 27 -3.751 2.426 10.826 187 2HG ARG 27 HG3 ARG 27 -3.073 3.856 10.004 188 1HD ARG 27 HD3 ARG 27 -5.057 4.885 10.192 189 2HD ARG 27 HD2 ARG 27 -5.717 3.773 8.925 190 HE ARG 27 HE ARG 27 -5.637 2.780 11.790 191 1HH1 ARG 27 HH1 ARG 27 -7.895 4.182 9.323 192 2HH1 ARG 27 HH1 ARG 27 -9.223 3.659 10.300 193 1HH2 ARG 27 HH2 ARG 27 -7.302 2.138 12.758 194 2HH2 ARG 27 HH2 ARG 27 -8.899 2.567 12.246 195 H LYS 28 HN LYS 28 -4.625 -1.390 7.994 196 HA LYS 28 HA LYS 28 -3.100 -1.765 5.492 197 1HB LYS 28 HB3 LYS 28 -2.306 -2.908 7.694 198 2HB LYS 28 HB2 LYS 28 -3.817 -3.862 7.651 199 1HG LYS 28 HG3 LYS 28 -2.128 -5.258 6.746 200 2HG LYS 28 HG2 LYS 28 -3.033 -4.721 5.302 201 1HD LYS 28 HD3 LYS 28 -1.150 -2.874 5.061 202 2HD LYS 28 HD2 LYS 28 -0.309 -3.758 6.380 203 1HE LYS 28 HE2 LYS 28 0.623 -4.489 4.232 204 2HE LYS 28 HE3 LYS 28 -0.358 -5.864 4.892 205 1HZ LYS 28 HZ1 LYS 28 -1.252 -3.864 2.869 206 2HZ LYS 28 HZ2 LYS 28 -0.782 -5.467 2.565 207 3HZ LYS 28 HZ3 LYS 28 -2.177 -5.150 3.479 208 H CYS 29 HN CYS 29 -4.119 -2.737 3.728 209 HA CYS 29 HA CYS 29 -7.011 -3.292 3.986 210 1HB CYS 29 HB2 CYS 29 -5.396 -3.289 1.350 211 2HB CYS 29 HB3 CYS 29 -7.179 -3.204 1.591 212 H LYS 30 HN LYS 30 -7.682 -5.378 4.216 213 HA LYS 30 HA LYS 30 -6.147 -7.579 2.938 214 1HB LYS 30 HB3 LYS 30 -8.543 -7.598 4.873 215 2HB LYS 30 HB2 LYS 30 -8.069 -9.029 3.905 216 1HG LYS 30 HG3 LYS 30 -7.235 -9.272 6.107 217 2HG LYS 30 HG2 LYS 30 -5.897 -9.207 4.915 218 1HD LYS 30 HD2 LYS 30 -5.401 -6.853 5.611 219 2HD LYS 30 HD3 LYS 30 -6.786 -6.879 6.753 220 1HE LYS 30 HE3 LYS 30 -4.260 -8.670 6.886 221 2HE LYS 30 HE2 LYS 30 -4.576 -7.201 7.901 222 1HZ LYS 30 HZ1 LYS 30 -5.090 -9.225 9.054 223 2HZ LYS 30 HZ2 LYS 30 -6.502 -8.312 8.807 224 3HZ LYS 30 HZ3 LYS 30 -6.205 -9.689 7.858 225 H CYS 31 HN CYS 31 -6.583 -7.801 0.796 226 HA CYS 31 HA CYS 31 -8.888 -6.580 -0.434 227 1HB CYS 31 HB3 CYS 31 -6.425 -6.485 -1.309 228 2HB CYS 31 HB2 CYS 31 -6.669 -8.156 -1.875 229 H ASN 32 HN ASN 32 -10.630 -7.623 -1.330 230 HA ASN 32 HA ASN 32 -10.968 -10.536 -0.964 231 1HB ASN 32 HB3 ASN 32 -13.260 -8.481 -0.553 232 2HB ASN 32 HB2 ASN 32 -13.135 -10.178 0.010 233 1HD2 ASN 32 HD2 ASN 32 -11.743 -6.904 0.604 234 2HD2 ASN 32 HD2 ASN 32 -11.218 -7.318 2.197 235 H ARG 33 HN ARG 33 -13.211 -11.196 -2.266 236 HA ARG 33 HA ARG 33 -12.493 -10.807 -5.011 237 1HB ARG 33 HB2 ARG 33 -13.649 -12.824 -5.414 238 2HB ARG 33 HB3 ARG 33 -12.792 -13.009 -3.866 239 1HG ARG 33 HG3 ARG 33 -15.857 -12.628 -4.229 240 2HG ARG 33 HG2 ARG 33 -14.955 -14.110 -3.847 241 1HD ARG 33 HD2 ARG 33 -16.033 -13.437 -1.823 242 2HD ARG 33 HD3 ARG 33 -14.273 -13.057 -1.587 243 HE ARG 33 HE ARG 33 -15.560 -10.722 -2.748 244 1HH1 ARG 33 HH1 ARG 33 -15.615 -12.489 0.291 245 2HH1 ARG 33 HH1 ARG 33 -15.887 -11.041 1.224 246 1HH2 ARG 33 HH2 ARG 33 -16.132 -9.038 -1.596 247 2HH2 ARG 33 HH2 ARG 33 -16.291 -9.092 0.128 248 H CYS 34 HN CYS 34 -13.771 -10.289 -6.786 249 HA CYS 34 HA CYS 34 -16.334 -8.904 -6.311 250 1HB CYS 34 HB3 CYS 34 -15.764 -7.520 -8.270 251 2HB CYS 34 HB2 CYS 34 -14.637 -7.335 -6.901 252 1HN NH2 35 HT1 CYS 34 -16.376 -11.772 -6.756 253 2HN NH2 35 HT2 CYS 34 -17.030 -12.007 -8.362 Start of MODEL 10 1 2H ALA 1 HN2 ALA 1 -0.542 -2.820 1.689 2 H ALA 1 HN ALA 1 1.108 -2.522 1.428 3 3H ALA 1 HN3 ALA 1 0.437 -2.456 3.013 4 HA ALA 1 HA ALA 1 0.849 -0.227 1.871 5 1HB ALA 1 HB1 ALA 1 -0.900 0.401 0.094 6 2HB ALA 1 HB2 ALA 1 0.024 -1.036 -0.403 7 3HB ALA 1 HB3 ALA 1 -1.631 -1.228 0.258 8 H SER 2 HN SER 2 -0.849 1.683 2.308 9 HA SER 2 HA SER 2 -2.275 1.051 4.778 10 1HB SER 2 HB3 SER 2 -1.231 3.722 3.659 11 2HB SER 2 HB2 SER 2 -2.038 3.501 5.256 12 HG SER 2 HG SER 2 -0.332 2.453 5.991 13 H CYS 3 HN CYS 3 -4.201 2.469 5.260 14 HA CYS 3 HA CYS 3 -5.870 3.308 3.034 15 1HB CYS 3 HB2 CYS 3 -7.869 1.838 3.637 16 2HB CYS 3 HB3 CYS 3 -6.452 0.990 3.035 17 H ARG 4 HN ARG 4 -8.180 3.898 4.236 18 HA ARG 4 HA ARG 4 -7.753 5.375 6.737 19 1HB ARG 4 HB2 ARG 4 -8.471 6.631 4.025 20 2HB ARG 4 HB3 ARG 4 -9.028 7.368 5.570 21 1HG ARG 4 HG3 ARG 4 -6.867 7.664 6.450 22 2HG ARG 4 HG2 ARG 4 -6.066 6.833 5.082 23 1HD ARG 4 HD3 ARG 4 -5.892 9.399 5.206 24 2HD ARG 4 HD2 ARG 4 -6.393 8.736 3.597 25 HE ARG 4 HE ARG 4 -8.698 9.278 5.343 26 1HH1 ARG 4 HH1 ARG 4 -6.377 10.946 3.403 27 2HH1 ARG 4 HH1 ARG 4 -7.528 12.076 2.751 28 1HH2 ARG 4 HH2 ARG 4 -10.152 10.782 4.602 29 2HH2 ARG 4 HH2 ARG 4 -9.627 12.072 3.556 30 H THR 5 HN THR 5 -10.019 4.848 3.947 31 HA THR 5 HA THR 5 -11.947 3.637 5.807 32 HB THR 5 HB THR 5 -13.771 4.124 4.400 33 HG1 THR 5 HG1 THR 5 -13.022 5.817 2.658 34 1HG2 THR 5 HG2 THR 5 -12.116 6.767 4.628 35 2HG2 THR 5 HG2 THR 5 -13.891 6.590 4.514 36 3HG2 THR 5 HG2 THR 5 -13.028 5.980 5.959 37 HA PRO 6 HA PRO 6 -10.813 -0.048 3.541 38 1HB PRO 6 HB2 PRO 6 -13.727 -0.919 3.302 39 2HB PRO 6 HB3 PRO 6 -12.348 -1.707 4.054 40 1HG PRO 6 HG3 PRO 6 -14.271 -0.491 5.586 41 2HG PRO 6 HG2 PRO 6 -12.516 -0.382 6.022 42 1HD PRO 6 HD2 PRO 6 -14.147 1.719 4.510 43 2HD PRO 6 HD3 PRO 6 -13.037 1.857 5.969 44 H LYS 7 HN LYS 7 -12.907 2.159 1.727 45 HA LYS 7 HA LYS 7 -12.702 0.634 -0.768 46 1HB LYS 7 HB3 LYS 7 -13.816 3.415 -0.268 47 2HB LYS 7 HB2 LYS 7 -13.978 2.446 -1.770 48 1HG LYS 7 HG3 LYS 7 -15.215 1.734 0.982 49 2HG LYS 7 HG2 LYS 7 -16.002 2.472 -0.439 50 1HD LYS 7 HD3 LYS 7 -16.695 0.321 -0.691 51 2HD LYS 7 HD2 LYS 7 -15.256 0.325 -1.765 52 1HE LYS 7 HE3 LYS 7 -13.960 -0.854 0.139 53 2HE LYS 7 HE2 LYS 7 -15.474 -0.818 1.125 54 1HZ LYS 7 HZ1 LYS 7 -15.089 -2.133 -1.509 55 2HZ LYS 7 HZ2 LYS 7 -15.124 -2.889 0.010 56 3HZ LYS 7 HZ3 LYS 7 -16.518 -2.129 -0.592 57 H ASP 8 HN ASP 8 -10.458 2.562 0.991 58 HA ASP 8 HA ASP 8 -9.146 3.710 -1.308 59 1HB ASP 8 HB3 ASP 8 -8.324 3.543 1.650 60 2HB ASP 8 HB2 ASP 8 -7.423 4.432 0.369 61 H CYS 9 HN CYS 9 -9.133 0.419 0.074 62 HA CYS 9 HA CYS 9 -6.456 -0.005 -1.074 63 1HB CYS 9 HB2 CYS 9 -7.235 -1.254 1.267 64 2HB CYS 9 HB3 CYS 9 -7.817 -2.431 0.112 65 H ALA 10 HN ALA 10 -9.448 0.289 -2.215 66 HA ALA 10 HA ALA 10 -9.918 -1.784 -3.934 67 1HB ALA 10 HB1 ALA 10 -11.608 -0.152 -3.245 68 2HB ALA 10 HB2 ALA 10 -10.738 1.175 -4.085 69 3HB ALA 10 HB3 ALA 10 -11.509 -0.121 -5.031 70 H ASP 11 HN ASP 11 -8.228 1.300 -4.443 71 HA ASP 11 HA ASP 11 -7.607 0.907 -7.229 72 1HB ASP 11 HB2 ASP 11 -6.631 3.202 -5.446 73 2HB ASP 11 HB3 ASP 11 -6.665 3.126 -7.243 74 HA PRO 12 HA PRO 12 -3.142 -0.176 -5.628 75 1HB PRO 12 HB3 PRO 12 -3.862 -1.039 -2.747 76 2HB PRO 12 HB2 PRO 12 -2.319 -0.340 -3.372 77 1HG PRO 12 HG2 PRO 12 -4.200 1.092 -1.941 78 2HG PRO 12 HG3 PRO 12 -3.331 1.877 -3.342 79 1HD PRO 12 HD3 PRO 12 -6.122 0.641 -3.257 80 2HD PRO 12 HD2 PRO 12 -5.561 2.206 -3.993 81 H CYS 13 HN CYS 13 -6.054 -1.902 -4.314 82 HA CYS 13 HA CYS 13 -5.076 -4.520 -4.826 83 1HB CYS 13 HB2 CYS 13 -6.935 -4.249 -3.235 84 2HB CYS 13 HB3 CYS 13 -8.017 -3.795 -4.551 85 H ARG 14 HN ARG 14 -7.129 -2.324 -6.855 86 HA ARG 14 HA ARG 14 -7.726 -3.932 -8.966 87 1HB ARG 14 HB3 ARG 14 -8.555 -1.688 -8.591 88 2HB ARG 14 HB2 ARG 14 -6.928 -0.966 -8.866 89 1HG ARG 14 HG3 ARG 14 -7.103 -1.709 -11.288 90 2HG ARG 14 HG2 ARG 14 -8.660 -2.518 -10.878 91 1HD ARG 14 HD2 ARG 14 -8.196 0.545 -11.074 92 2HD ARG 14 HD3 ARG 14 -9.169 -0.546 -12.122 93 HE ARG 14 HE ARG 14 -9.862 -0.353 -9.163 94 1HH1 ARG 14 HH1 ARG 14 -11.034 -0.144 -12.348 95 2HH1 ARG 14 HH1 ARG 14 -12.356 0.910 -11.964 96 1HH2 ARG 14 HH2 ARG 14 -11.427 1.307 -8.676 97 2HH2 ARG 14 HH2 ARG 14 -12.539 1.737 -9.940 98 H LYS 15 HN LYS 15 -4.516 -2.636 -8.367 99 HA LYS 15 HA LYS 15 -3.482 -3.245 -10.958 100 1HB LYS 15 HB2 LYS 15 -2.844 -1.319 -9.468 101 2HB LYS 15 HB3 LYS 15 -2.086 -2.447 -8.313 102 1HG LYS 15 HG3 LYS 15 -0.409 -3.079 -10.098 103 2HG LYS 15 HG2 LYS 15 -1.249 -1.991 -11.270 104 1HD LYS 15 HD3 LYS 15 -0.788 -0.068 -9.671 105 2HD LYS 15 HD2 LYS 15 0.091 -1.240 -8.619 106 1HE LYS 15 HE3 LYS 15 1.777 -1.632 -10.436 107 2HE LYS 15 HE2 LYS 15 0.872 -0.504 -11.529 108 1HZ LYS 15 HZ1 LYS 15 2.723 0.561 -10.461 109 2HZ LYS 15 HZ2 LYS 15 1.264 1.257 -9.944 110 3HZ LYS 15 HZ3 LYS 15 2.111 0.202 -8.919 111 H GLU 16 HN GLU 16 -3.716 -4.891 -7.825 112 HA GLU 16 HA GLU 16 -1.901 -7.074 -8.653 113 1HB GLU 16 HB2 GLU 16 -2.002 -8.015 -6.346 114 2HB GLU 16 HB3 GLU 16 -1.384 -6.347 -6.356 115 1HG GLU 16 HG3 GLU 16 -3.546 -5.493 -5.650 116 2HG GLU 16 HG2 GLU 16 -4.321 -7.108 -5.606 117 H THR 17 HN THR 17 -5.395 -6.769 -7.532 118 HA THR 17 HA THR 17 -5.890 -9.125 -9.150 119 HB THR 17 HB THR 17 -5.152 -10.110 -7.116 120 HG1 THR 17 HG1 THR 17 -7.564 -11.019 -6.863 121 1HG2 THR 17 HG2 THR 17 -7.627 -8.832 -5.783 122 2HG2 THR 17 HG2 THR 17 -6.662 -10.181 -5.108 123 3HG2 THR 17 HG2 THR 17 -5.915 -8.588 -5.347 124 H GLY 18 HN GLY 18 -6.413 -6.705 -9.873 125 1HA GLY 18 HA1 GLY 18 -7.857 -5.470 -10.910 126 2HA GLY 18 HA2 GLY 18 -8.711 -6.996 -11.096 127 H CYS 19 HN CYS 19 -9.812 -7.016 -8.444 128 HA CYS 19 HA CYS 19 -12.096 -5.300 -9.106 129 1HB CYS 19 HB2 CYS 19 -11.922 -7.650 -7.234 130 2HB CYS 19 HB3 CYS 19 -13.309 -6.546 -7.163 131 HA PRO 20 HA PRO 20 -11.168 -2.245 -6.065 132 1HB PRO 20 HB3 PRO 20 -13.246 -0.478 -6.531 133 2HB PRO 20 HB2 PRO 20 -12.156 -0.988 -7.870 134 1HG PRO 20 HG2 PRO 20 -14.832 -2.258 -7.144 135 2HG PRO 20 HG3 PRO 20 -14.395 -1.552 -8.740 136 1HD PRO 20 HD2 PRO 20 -14.058 -4.256 -8.185 137 2HD PRO 20 HD3 PRO 20 -12.842 -3.315 -9.186 138 H TYR 21 HN TYR 21 -11.670 -4.181 -4.324 139 HA TYR 21 HA TYR 21 -13.839 -3.233 -2.533 140 1HB TYR 21 HB2 TYR 21 -13.620 -5.846 -4.111 141 2HB TYR 21 HB3 TYR 21 -14.016 -6.093 -2.401 142 HD1 TYR 21 HD1 TYR 21 -15.122 -4.576 -5.578 143 HD2 TYR 21 HD2 TYR 21 -16.083 -5.178 -1.441 144 HE1 TYR 21 HE1 TYR 21 -17.376 -3.689 -6.000 145 HE2 TYR 21 HE2 TYR 21 -18.355 -4.335 -1.836 146 HH TYR 21 HH TYR 21 -19.233 -2.847 -4.954 147 H GLY 22 HN GLY 22 -13.235 -3.219 -0.375 148 1HA GLY 22 HA1 GLY 22 -10.918 -4.883 0.369 149 2HA GLY 22 HA2 GLY 22 -10.631 -3.102 0.343 150 H LYS 23 HN LYS 23 -10.128 -4.417 2.556 151 HA LYS 23 HA LYS 23 -12.192 -3.646 4.491 152 1HB LYS 23 HB2 LYS 23 -12.252 -6.044 4.414 153 2HB LYS 23 HB3 LYS 23 -10.454 -6.201 4.412 154 1HG LYS 23 HG2 LYS 23 -10.359 -5.509 6.770 155 2HG LYS 23 HG3 LYS 23 -12.117 -5.121 6.774 156 1HD LYS 23 HD3 LYS 23 -12.681 -7.478 6.305 157 2HD LYS 23 HD2 LYS 23 -10.948 -7.929 6.228 158 1HE LYS 23 HE2 LYS 23 -12.422 -6.855 8.745 159 2HE LYS 23 HE3 LYS 23 -12.029 -8.587 8.399 160 1HZ LYS 23 HZ1 LYS 23 -10.427 -7.574 9.842 161 2HZ LYS 23 HZ2 LYS 23 -9.706 -8.013 8.369 162 3HZ LYS 23 HZ3 LYS 23 -10.061 -6.383 8.688 163 H CYS 24 HN CYS 24 -11.306 -2.364 6.083 164 HA CYS 24 HA CYS 24 -8.391 -1.744 5.766 165 1HB CYS 24 HB3 CYS 24 -10.274 0.049 5.636 166 2HB CYS 24 HB2 CYS 24 -10.359 -0.038 7.389 167 H MET 25 HN MET 25 -6.903 -2.498 7.226 168 HA MET 25 HA MET 25 -7.952 -3.590 9.815 169 1HB MET 25 HB2 MET 25 -5.407 -4.437 8.255 170 2HB MET 25 HB3 MET 25 -5.850 -4.989 9.892 171 1HG MET 25 HG3 MET 25 -7.754 -6.227 9.159 172 2HG MET 25 HG2 MET 25 -7.654 -5.653 7.474 173 1HE MET 25 HE1 MET 25 -7.800 -8.518 8.881 174 2HE MET 25 HE2 MET 25 -7.968 -8.288 7.113 175 3HE MET 25 HE3 MET 25 -6.824 -9.521 7.762 176 H ASN 26 HN ASN 26 -8.067 -1.396 10.434 177 HA ASN 26 HA ASN 26 -7.492 0.383 11.595 178 1HB ASN 26 HB2 ASN 26 -6.604 -1.619 13.023 179 2HB ASN 26 HB3 ASN 26 -4.955 -1.048 12.639 180 1HD2 ASN 26 HD2 ASN 26 -4.989 1.584 13.015 181 2HD2 ASN 26 HD2 ASN 26 -5.696 2.094 14.543 182 H ARG 27 HN ARG 27 -6.830 0.696 8.962 183 HA ARG 27 HA ARG 27 -5.949 2.123 7.626 184 1HB ARG 27 HB2 ARG 27 -4.167 3.199 9.712 185 2HB ARG 27 HB3 ARG 27 -4.254 3.807 8.033 186 1HG ARG 27 HG3 ARG 27 -6.790 4.121 8.328 187 2HG ARG 27 HG2 ARG 27 -6.560 3.743 10.068 188 1HD ARG 27 HD3 ARG 27 -6.644 6.192 9.748 189 2HD ARG 27 HD2 ARG 27 -4.977 5.662 10.274 190 HE ARG 27 HE ARG 27 -5.280 5.655 7.322 191 1HH1 ARG 27 HH1 ARG 27 -4.917 8.013 9.898 192 2HH1 ARG 27 HH1 ARG 27 -3.952 9.077 8.908 193 1HH2 ARG 27 HH2 ARG 27 -3.709 6.760 6.363 194 2HH2 ARG 27 HH2 ARG 27 -3.057 8.247 7.015 195 H LYS 28 HN LYS 28 -4.622 -0.664 8.444 196 HA LYS 28 HA LYS 28 -2.500 -0.597 6.385 197 1HB LYS 28 HB3 LYS 28 -2.364 -1.592 8.938 198 2HB LYS 28 HB2 LYS 28 -2.974 -3.054 8.138 199 1HG LYS 28 HG3 LYS 28 -0.429 -1.350 7.567 200 2HG LYS 28 HG2 LYS 28 -0.488 -2.910 8.461 201 1HD LYS 28 HD2 LYS 28 -1.112 -4.105 6.321 202 2HD LYS 28 HD3 LYS 28 -1.081 -2.522 5.482 203 1HE LYS 28 HE2 LYS 28 1.404 -2.291 6.204 204 2HE LYS 28 HE3 LYS 28 1.327 -4.035 6.669 205 1HZ LYS 28 HZ1 LYS 28 0.723 -2.879 3.980 206 2HZ LYS 28 HZ2 LYS 28 2.141 -3.701 4.429 207 3HZ LYS 28 HZ3 LYS 28 0.656 -4.526 4.389 208 H CYS 29 HN CYS 29 -2.856 -1.880 4.455 209 HA CYS 29 HA CYS 29 -5.543 -2.368 3.756 210 1HB CYS 29 HB2 CYS 29 -2.830 -2.825 2.460 211 2HB CYS 29 HB3 CYS 29 -4.217 -3.560 1.651 212 H LYS 30 HN LYS 30 -6.632 -4.025 2.872 213 HA LYS 30 HA LYS 30 -5.745 -6.683 2.674 214 1HB LYS 30 HB3 LYS 30 -6.596 -6.722 5.012 215 2HB LYS 30 HB2 LYS 30 -8.091 -5.891 4.517 216 1HG LYS 30 HG2 LYS 30 -8.489 -8.270 4.981 217 2HG LYS 30 HG3 LYS 30 -8.876 -7.893 3.280 218 1HD LYS 30 HD3 LYS 30 -7.783 -10.052 3.411 219 2HD LYS 30 HD2 LYS 30 -6.703 -8.926 2.542 220 1HE LYS 30 HE3 LYS 30 -5.295 -8.684 4.650 221 2HE LYS 30 HE2 LYS 30 -6.403 -9.850 5.481 222 1HZ LYS 30 HZ1 LYS 30 -4.819 -10.382 3.025 223 2HZ LYS 30 HZ2 LYS 30 -4.460 -10.912 4.598 224 3HZ LYS 30 HZ3 LYS 30 -5.852 -11.477 3.809 225 H CYS 31 HN CYS 31 -6.928 -7.570 0.798 226 HA CYS 31 HA CYS 31 -8.802 -5.703 -0.520 227 1HB CYS 31 HB3 CYS 31 -6.780 -6.628 -1.903 228 2HB CYS 31 HB2 CYS 31 -7.549 -8.223 -1.772 229 H ASN 32 HN ASN 32 -10.784 -6.667 -1.527 230 HA ASN 32 HA ASN 32 -11.913 -9.022 -0.187 231 1HB ASN 32 HB2 ASN 32 -12.467 -6.833 1.120 232 2HB ASN 32 HB3 ASN 32 -13.492 -6.344 -0.287 233 1HD2 ASN 32 HD2 ASN 32 -14.589 -6.467 2.125 234 2HD2 ASN 32 HD2 ASN 32 -15.629 -7.878 2.236 235 H ARG 33 HN ARG 33 -14.285 -9.264 -1.456 236 HA ARG 33 HA ARG 33 -13.484 -9.201 -4.314 237 1HB ARG 33 HB3 ARG 33 -14.026 -11.410 -2.537 238 2HB ARG 33 HB2 ARG 33 -15.140 -11.523 -3.915 239 1HG ARG 33 HG2 ARG 33 -13.173 -12.783 -4.391 240 2HG ARG 33 HG3 ARG 33 -13.179 -11.393 -5.520 241 1HD ARG 33 HD3 ARG 33 -11.494 -11.370 -2.922 242 2HD ARG 33 HD2 ARG 33 -10.904 -12.179 -4.405 243 HE ARG 33 HE ARG 33 -11.439 -9.210 -3.999 244 1HH1 ARG 33 HH1 ARG 33 -10.305 -11.716 -6.237 245 2HH1 ARG 33 HH1 ARG 33 -9.600 -10.532 -7.314 246 1HH2 ARG 33 HH2 ARG 33 -10.258 -7.815 -5.397 247 2HH2 ARG 33 HH2 ARG 33 -9.462 -8.502 -6.823 248 H CYS 34 HN CYS 34 -14.716 -9.233 -6.022 249 HA CYS 34 HA CYS 34 -17.128 -7.679 -5.958 250 1HB CYS 34 HB2 CYS 34 -16.671 -7.854 -8.527 251 2HB CYS 34 HB3 CYS 34 -15.502 -6.980 -7.519 252 1HN NH2 35 HT1 CYS 34 -17.964 -10.016 -4.793 253 2HN NH2 35 HT2 CYS 34 -18.854 -10.987 -5.958 Start of MODEL 11 1 2H ALA 1 HN2 ALA 1 -1.484 -1.973 2.801 2 H ALA 1 HN ALA 1 -1.776 -0.657 3.856 3 3H ALA 1 HN3 ALA 1 -2.960 -1.148 2.770 4 HA ALA 1 HA ALA 1 -0.404 -0.232 1.670 5 1HB ALA 1 HB1 ALA 1 -1.904 0.114 -0.324 6 2HB ALA 1 HB2 ALA 1 -2.394 -1.437 0.377 7 3HB ALA 1 HB3 ALA 1 -3.376 0.014 0.718 8 H SER 2 HN SER 2 -1.570 2.419 0.672 9 HA SER 2 HA SER 2 -1.470 3.899 3.141 10 1HB SER 2 HB2 SER 2 -1.581 5.884 1.571 11 2HB SER 2 HB3 SER 2 -0.278 4.724 1.162 12 HG SER 2 HG SER 2 -2.852 4.809 -0.015 13 H CYS 3 HN CYS 3 -3.438 2.971 4.194 14 HA CYS 3 HA CYS 3 -5.854 4.323 3.185 15 1HB CYS 3 HB2 CYS 3 -7.349 2.468 3.525 16 2HB CYS 3 HB3 CYS 3 -6.059 2.073 2.381 17 H ARG 4 HN ARG 4 -6.941 5.541 4.482 18 HA ARG 4 HA ARG 4 -6.495 5.394 7.365 19 1HB ARG 4 HB3 ARG 4 -8.103 7.565 5.877 20 2HB ARG 4 HB2 ARG 4 -7.268 7.577 7.474 21 1HG ARG 4 HG3 ARG 4 -5.064 7.371 6.011 22 2HG ARG 4 HG2 ARG 4 -6.120 7.590 4.572 23 1HD ARG 4 HD3 ARG 4 -5.054 9.738 5.123 24 2HD ARG 4 HD2 ARG 4 -6.832 9.876 5.436 25 HE ARG 4 HE ARG 4 -5.120 8.913 7.713 26 1HH1 ARG 4 HH1 ARG 4 -6.469 11.828 6.302 27 2HH1 ARG 4 HH1 ARG 4 -6.531 12.631 7.838 28 1HH2 ARG 4 HH2 ARG 4 -5.192 9.957 9.580 29 2HH2 ARG 4 HH2 ARG 4 -5.777 11.598 9.658 30 H THR 5 HN THR 5 -8.970 5.128 4.790 31 HA THR 5 HA THR 5 -10.784 3.680 6.535 32 HB THR 5 HB THR 5 -12.746 4.661 5.325 33 HG1 THR 5 HG1 THR 5 -12.374 6.699 4.305 34 1HG2 THR 5 HG2 THR 5 -11.015 6.810 6.724 35 2HG2 THR 5 HG2 THR 5 -12.805 6.822 6.561 36 3HG2 THR 5 HG2 THR 5 -12.003 5.575 7.580 37 HA PRO 6 HA PRO 6 -10.187 0.784 3.225 38 1HB PRO 6 HB2 PRO 6 -13.199 0.240 3.004 39 2HB PRO 6 HB3 PRO 6 -11.856 -0.914 3.309 40 1HG PRO 6 HG2 PRO 6 -13.566 -0.033 5.314 41 2HG PRO 6 HG3 PRO 6 -11.802 -0.220 5.655 42 1HD PRO 6 HD3 PRO 6 -13.289 2.362 4.988 43 2HD PRO 6 HD2 PRO 6 -12.049 1.987 6.285 44 H LYS 7 HN LYS 7 -12.298 3.327 2.411 45 HA LYS 7 HA LYS 7 -12.686 3.091 -0.370 46 1HB LYS 7 HB3 LYS 7 -13.977 4.609 1.154 47 2HB LYS 7 HB2 LYS 7 -12.530 5.665 1.330 48 1HG LYS 7 HG3 LYS 7 -12.691 6.199 -1.124 49 2HG LYS 7 HG2 LYS 7 -14.068 5.054 -1.269 50 1HD LYS 7 HD3 LYS 7 -15.385 6.430 0.351 51 2HD LYS 7 HD2 LYS 7 -13.989 7.547 0.547 52 1HE LYS 7 HE3 LYS 7 -14.157 8.230 -1.857 53 2HE LYS 7 HE2 LYS 7 -15.533 7.075 -2.094 54 1HZ LYS 7 HZ1 LYS 7 -16.282 9.307 -1.704 55 2HZ LYS 7 HZ2 LYS 7 -16.768 8.292 -0.433 56 3HZ LYS 7 HZ3 LYS 7 -15.479 9.374 -0.208 57 H ASP 8 HN ASP 8 -9.737 3.853 1.375 58 HA ASP 8 HA ASP 8 -8.437 5.120 -0.925 59 1HB ASP 8 HB3 ASP 8 -7.337 4.376 1.838 60 2HB ASP 8 HB2 ASP 8 -6.516 5.433 0.622 61 H CYS 9 HN CYS 9 -9.066 1.794 -0.062 62 HA CYS 9 HA CYS 9 -6.434 1.003 -1.193 63 1HB CYS 9 HB3 CYS 9 -7.205 0.385 1.203 64 2HB CYS 9 HB2 CYS 9 -8.129 -0.930 0.448 65 H ALA 10 HN ALA 10 -9.285 1.720 -2.356 66 HA ALA 10 HA ALA 10 -10.277 -0.334 -3.826 67 1HB ALA 10 HB1 ALA 10 -10.322 2.684 -4.459 68 2HB ALA 10 HB2 ALA 10 -11.498 1.463 -5.081 69 3HB ALA 10 HB3 ALA 10 -11.408 1.816 -3.327 70 H ASP 11 HN ASP 11 -7.792 1.997 -4.852 71 HA ASP 11 HA ASP 11 -7.358 0.832 -7.452 72 1HB ASP 11 HB2 ASP 11 -5.708 2.998 -6.020 73 2HB ASP 11 HB3 ASP 11 -5.602 2.550 -7.764 74 HA PRO 12 HA PRO 12 -3.317 -1.033 -5.528 75 1HB PRO 12 HB3 PRO 12 -3.122 -1.308 -2.725 76 2HB PRO 12 HB2 PRO 12 -2.456 0.047 -3.716 77 1HG PRO 12 HG3 PRO 12 -5.140 -0.159 -2.357 78 2HG PRO 12 HG2 PRO 12 -3.961 1.180 -2.111 79 1HD PRO 12 HD2 PRO 12 -6.003 1.545 -3.802 80 2HD PRO 12 HD3 PRO 12 -4.340 1.965 -4.414 81 H CYS 13 HN CYS 13 -6.505 -1.729 -3.887 82 HA CYS 13 HA CYS 13 -6.069 -4.601 -3.911 83 1HB CYS 13 HB2 CYS 13 -7.455 -3.649 -2.208 84 2HB CYS 13 HB3 CYS 13 -8.592 -2.995 -3.411 85 H ARG 14 HN ARG 14 -7.582 -2.325 -6.242 86 HA ARG 14 HA ARG 14 -8.482 -4.250 -8.219 87 1HB ARG 14 HB3 ARG 14 -9.418 -2.039 -8.026 88 2HB ARG 14 HB2 ARG 14 -7.830 -1.258 -8.325 89 1HG ARG 14 HG3 ARG 14 -7.914 -2.349 -10.701 90 2HG ARG 14 HG2 ARG 14 -9.503 -3.021 -10.211 91 1HD ARG 14 HD3 ARG 14 -8.868 -0.039 -10.787 92 2HD ARG 14 HD2 ARG 14 -9.867 -1.242 -11.688 93 HE ARG 14 HE ARG 14 -10.585 -0.697 -8.804 94 1HH1 ARG 14 HH2 ARG 14 -11.341 -0.254 -12.156 95 2HH1 ARG 14 HH2 ARG 14 -12.733 0.723 -11.835 96 1HH2 ARG 14 HH1 ARG 14 -12.535 0.565 -8.464 97 2HH2 ARG 14 HH1 ARG 14 -13.430 1.091 -9.862 98 H LYS 15 HN LYS 15 -5.497 -2.267 -7.804 99 HA LYS 15 HA LYS 15 -4.230 -3.049 -10.181 100 1HB LYS 15 HB3 LYS 15 -3.839 -0.973 -8.796 101 2HB LYS 15 HB2 LYS 15 -2.928 -1.953 -7.607 102 1HG LYS 15 HG2 LYS 15 -1.259 -2.515 -9.446 103 2HG LYS 15 HG3 LYS 15 -2.227 -1.500 -10.583 104 1HD LYS 15 HD2 LYS 15 -1.892 0.477 -9.236 105 2HD LYS 15 HD3 LYS 15 -0.961 -0.453 -8.002 106 1HE LYS 15 HE3 LYS 15 0.822 -0.952 -9.698 107 2HE LYS 15 HE2 LYS 15 -0.104 -0.021 -10.949 108 1HZ LYS 15 HZ1 LYS 15 0.090 1.929 -9.557 109 2HZ LYS 15 HZ2 LYS 15 0.958 1.058 -8.387 110 3HZ LYS 15 HZ3 LYS 15 1.618 1.291 -9.934 111 H GLU 16 HN GLU 16 -4.207 -4.502 -6.962 112 HA GLU 16 HA GLU 16 -2.272 -6.569 -7.773 113 1HB GLU 16 HB2 GLU 16 -2.083 -7.419 -5.510 114 2HB GLU 16 HB3 GLU 16 -1.852 -5.659 -5.481 115 1HG GLU 16 HG2 GLU 16 -4.479 -5.683 -4.936 116 2HG GLU 16 HG3 GLU 16 -4.193 -7.389 -4.482 117 H THR 17 HN THR 17 -5.861 -6.541 -6.839 118 HA THR 17 HA THR 17 -5.958 -9.244 -7.991 119 HB THR 17 HB THR 17 -8.148 -9.520 -7.102 120 HG1 THR 17 HG1 THR 17 -7.845 -6.925 -5.911 121 1HG2 THR 17 HG2 THR 17 -6.147 -10.071 -5.712 122 2HG2 THR 17 HG2 THR 17 -6.174 -8.422 -4.981 123 3HG2 THR 17 HG2 THR 17 -7.533 -9.540 -4.706 124 H GLY 18 HN GLY 18 -8.534 -7.017 -8.021 125 1HA GLY 18 HA1 GLY 18 -8.369 -5.800 -10.549 126 2HA GLY 18 HA2 GLY 18 -9.299 -7.317 -10.728 127 H CYS 19 HN CYS 19 -10.169 -6.810 -7.783 128 HA CYS 19 HA CYS 19 -12.468 -5.098 -8.516 129 1HB CYS 19 HB2 CYS 19 -12.150 -7.464 -6.612 130 2HB CYS 19 HB3 CYS 19 -13.596 -6.395 -6.583 131 HA PRO 20 HA PRO 20 -10.807 -2.512 -5.102 132 1HB PRO 20 HB3 PRO 20 -12.890 -0.587 -5.002 133 2HB PRO 20 HB2 PRO 20 -11.886 -0.777 -6.488 134 1HG PRO 20 HG3 PRO 20 -14.489 -2.029 -5.939 135 2HG PRO 20 HG2 PRO 20 -14.068 -1.004 -7.373 136 1HD PRO 20 HD2 PRO 20 -13.955 -3.769 -7.467 137 2HD PRO 20 HD3 PRO 20 -12.667 -2.749 -8.290 138 H TYR 21 HN TYR 21 -11.472 -4.781 -4.117 139 HA TYR 21 HA TYR 21 -13.757 -4.629 -2.223 140 1HB TYR 21 HB2 TYR 21 -12.988 -6.575 -4.327 141 2HB TYR 21 HB3 TYR 21 -12.797 -7.441 -2.841 142 HD1 TYR 21 HD1 TYR 21 -14.998 -5.242 -4.890 143 HD2 TYR 21 HD2 TYR 21 -14.873 -8.076 -1.672 144 HE1 TYR 21 HE1 TYR 21 -17.448 -5.425 -4.981 145 HE2 TYR 21 HE2 TYR 21 -17.316 -8.291 -1.746 146 HH TYR 21 HH TYR 21 -19.237 -7.542 -2.668 147 H GLY 22 HN GLY 22 -11.853 -3.274 -1.091 148 1HA GLY 22 HA1 GLY 22 -10.255 -5.247 0.529 149 2HA GLY 22 HA2 GLY 22 -9.692 -3.631 0.143 150 H LYS 23 HN LYS 23 -10.358 -5.277 2.732 151 HA LYS 23 HA LYS 23 -12.064 -3.261 4.065 152 1HB LYS 23 HB2 LYS 23 -11.577 -6.173 4.899 153 2HB LYS 23 HB3 LYS 23 -12.543 -5.033 5.790 154 1HG LYS 23 HG3 LYS 23 -14.305 -4.906 4.123 155 2HG LYS 23 HG2 LYS 23 -13.418 -5.903 2.942 156 1HD LYS 23 HD3 LYS 23 -15.056 -7.274 3.922 157 2HD LYS 23 HD2 LYS 23 -13.456 -7.846 4.497 158 1HE LYS 23 HE3 LYS 23 -13.882 -6.749 6.734 159 2HE LYS 23 HE2 LYS 23 -15.453 -6.099 6.109 160 1HZ LYS 23 HZ1 LYS 23 -16.186 -8.358 5.764 161 2HZ LYS 23 HZ2 LYS 23 -14.711 -8.969 6.345 162 3HZ LYS 23 HZ3 LYS 23 -15.737 -8.098 7.381 163 H CYS 24 HN CYS 24 -10.864 -1.938 5.085 164 HA CYS 24 HA CYS 24 -8.070 -2.492 5.831 165 1HB CYS 24 HB2 CYS 24 -8.442 -0.712 4.122 166 2HB CYS 24 HB3 CYS 24 -9.593 0.088 5.231 167 H MET 25 HN MET 25 -7.944 -3.077 8.017 168 HA MET 25 HA MET 25 -9.754 -1.709 9.937 169 1HB MET 25 HB2 MET 25 -7.947 -4.144 10.531 170 2HB MET 25 HB3 MET 25 -9.257 -3.459 11.528 171 1HG MET 25 HG3 MET 25 -10.225 -5.361 10.643 172 2HG MET 25 HG2 MET 25 -10.889 -4.120 9.553 173 1HE MET 25 HE1 MET 25 -11.179 -7.119 8.760 174 2HE MET 25 HE2 MET 25 -11.698 -5.637 7.891 175 3HE MET 25 HE3 MET 25 -10.785 -6.922 7.016 176 H ASN 26 HN ASN 26 -8.178 -0.091 8.923 177 HA ASN 26 HA ASN 26 -7.031 1.737 9.291 178 1HB ASN 26 HB2 ASN 26 -7.424 1.391 11.850 179 2HB ASN 26 HB3 ASN 26 -5.728 0.829 11.924 180 1HD2 ASN 26 HD2 ASN 26 -7.787 3.635 11.924 181 2HD2 ASN 26 HD2 ASN 26 -6.501 4.807 11.697 182 H ARG 27 HN ARG 27 -5.426 1.689 7.497 183 HA ARG 27 HA ARG 27 -3.622 1.386 6.447 184 1HB ARG 27 HB3 ARG 27 -2.299 0.441 9.033 185 2HB ARG 27 HB2 ARG 27 -1.432 0.974 7.561 186 1HG ARG 27 HG3 ARG 27 -2.059 3.274 7.894 187 2HG ARG 27 HG2 ARG 27 -3.399 2.871 9.021 188 1HD ARG 27 HD2 ARG 27 -1.933 2.244 10.833 189 2HD ARG 27 HD3 ARG 27 -0.482 2.347 9.742 190 HE ARG 27 HE ARG 27 -1.958 4.869 9.743 191 1HH1 ARG 27 HH1 ARG 27 0.157 3.100 11.898 192 2HH1 ARG 27 HH1 ARG 27 1.170 4.479 12.219 193 1HH2 ARG 27 HH2 ARG 27 -0.721 6.589 10.270 194 2HH2 ARG 27 HH2 ARG 27 0.684 6.422 11.299 195 H LYS 28 HN LYS 28 -4.692 -1.426 8.065 196 HA LYS 28 HA LYS 28 -3.269 -3.379 6.376 197 1HB LYS 28 HB3 LYS 28 -4.975 -3.664 8.929 198 2HB LYS 28 HB2 LYS 28 -4.380 -5.059 8.034 199 1HG LYS 28 HG3 LYS 28 -2.180 -4.742 8.564 200 2HG LYS 28 HG2 LYS 28 -2.262 -2.972 8.758 201 1HD LYS 28 HD2 LYS 28 -3.489 -4.957 10.773 202 2HD LYS 28 HD3 LYS 28 -1.851 -4.229 10.864 203 1HE LYS 28 HE3 LYS 28 -2.876 -1.916 10.912 204 2HE LYS 28 HE2 LYS 28 -4.515 -2.674 11.030 205 1HZ LYS 28 HZ1 LYS 28 -3.773 -3.780 13.037 206 2HZ LYS 28 HZ2 LYS 28 -2.241 -3.060 12.910 207 3HZ LYS 28 HZ3 LYS 28 -3.615 -2.094 13.160 208 H CYS 29 HN CYS 29 -4.312 -3.170 4.256 209 HA CYS 29 HA CYS 29 -7.157 -3.576 4.090 210 1HB CYS 29 HB3 CYS 29 -5.722 -3.756 1.412 211 2HB CYS 29 HB2 CYS 29 -7.123 -2.904 2.015 212 H LYS 30 HN LYS 30 -7.954 -5.554 4.305 213 HA LYS 30 HA LYS 30 -6.618 -7.963 3.215 214 1HB LYS 30 HB2 LYS 30 -7.614 -8.278 5.399 215 2HB LYS 30 HB3 LYS 30 -9.163 -7.518 4.939 216 1HG LYS 30 HG3 LYS 30 -8.268 -10.186 3.677 217 2HG LYS 30 HG2 LYS 30 -9.080 -10.017 5.267 218 1HD LYS 30 HD3 LYS 30 -10.890 -8.601 4.093 219 2HD LYS 30 HD2 LYS 30 -10.303 -9.307 2.555 220 1HE LYS 30 HE2 LYS 30 -10.859 -11.602 3.406 221 2HE LYS 30 HE3 LYS 30 -11.392 -10.884 4.986 222 1HZ LYS 30 HZ1 LYS 30 -12.523 -10.242 2.307 223 2HZ LYS 30 HZ2 LYS 30 -13.234 -11.223 3.497 224 3HZ LYS 30 HZ3 LYS 30 -13.006 -9.565 3.788 225 H CYS 31 HN CYS 31 -6.821 -8.168 1.034 226 HA CYS 31 HA CYS 31 -8.932 -6.840 -0.454 227 1HB CYS 31 HB3 CYS 31 -6.498 -6.790 -1.076 228 2HB CYS 31 HB2 CYS 31 -6.615 -8.497 -1.545 229 H ASN 32 HN ASN 32 -10.228 -8.004 -2.156 230 HA ASN 32 HA ASN 32 -10.873 -10.823 -1.667 231 1HB ASN 32 HB2 ASN 32 -11.881 -9.470 0.258 232 2HB ASN 32 HB3 ASN 32 -12.868 -8.545 -0.868 233 1HD2 ASN 32 HD2 ASN 32 -13.611 -10.390 1.480 234 2HD2 ASN 32 HD2 ASN 32 -14.617 -11.602 0.761 235 H ARG 33 HN ARG 33 -13.455 -10.667 -3.073 236 HA ARG 33 HA ARG 33 -12.597 -9.596 -5.691 237 1HB ARG 33 HB2 ARG 33 -11.990 -12.158 -4.939 238 2HB ARG 33 HB3 ARG 33 -13.568 -12.504 -5.537 239 1HG ARG 33 HG3 ARG 33 -11.730 -12.859 -7.187 240 2HG ARG 33 HG2 ARG 33 -12.777 -11.566 -7.848 241 1HD ARG 33 HD3 ARG 33 -10.177 -11.213 -8.092 242 2HD ARG 33 HD2 ARG 33 -11.064 -9.855 -7.336 243 HE ARG 33 HE ARG 33 -10.282 -10.416 -5.150 244 1HH1 ARG 33 HH1 ARG 33 -8.892 -12.667 -7.550 245 2HH1 ARG 33 HH1 ARG 33 -7.835 -13.427 -6.397 246 1HH2 ARG 33 HH2 ARG 33 -8.997 -11.573 -3.765 247 2HH2 ARG 33 HH2 ARG 33 -7.982 -12.920 -4.257 248 H CYS 34 HN CYS 34 -14.223 -9.984 -7.498 249 HA CYS 34 HA CYS 34 -16.981 -10.046 -6.799 250 1HB CYS 34 HB3 CYS 34 -17.508 -7.856 -7.680 251 2HB CYS 34 HB2 CYS 34 -16.262 -7.607 -6.433 252 1HN NH2 35 HT1 CYS 34 -18.105 -10.051 -9.247 253 2HN NH2 35 HT2 CYS 34 -17.078 -10.770 -10.455 Start of MODEL 12 1 2H ALA 1 HN2 ALA 1 1.100 -0.208 -1.127 2 H ALA 1 HN ALA 1 1.651 0.798 0.139 3 3H ALA 1 HN3 ALA 1 0.833 -0.629 0.520 4 HA ALA 1 HA ALA 1 -0.338 1.844 -0.460 5 1HB ALA 1 HB1 ALA 1 -1.153 0.021 -2.014 6 2HB ALA 1 HB2 ALA 1 -1.573 -1.020 -0.612 7 3HB ALA 1 HB3 ALA 1 -2.473 0.511 -0.906 8 H SER 2 HN SER 2 -2.307 2.349 1.126 9 HA SER 2 HA SER 2 -2.385 0.873 3.577 10 1HB SER 2 HB3 SER 2 -0.385 2.526 3.844 11 2HB SER 2 HB2 SER 2 -1.568 3.860 3.706 12 HG SER 2 HG SER 2 -1.355 1.786 5.675 13 H CYS 3 HN CYS 3 -4.151 2.254 4.974 14 HA CYS 3 HA CYS 3 -6.086 3.582 3.251 15 1HB CYS 3 HB2 CYS 3 -7.928 1.878 3.710 16 2HB CYS 3 HB3 CYS 3 -6.578 1.245 2.746 17 H ARG 4 HN ARG 4 -7.917 4.494 4.323 18 HA ARG 4 HA ARG 4 -7.622 4.790 7.277 19 1HB ARG 4 HB2 ARG 4 -9.038 6.797 5.371 20 2HB ARG 4 HB3 ARG 4 -8.912 6.879 7.157 21 1HG ARG 4 HG3 ARG 4 -6.687 7.234 5.096 22 2HG ARG 4 HG2 ARG 4 -7.478 8.444 6.150 23 1HD ARG 4 HD3 ARG 4 -5.503 8.206 7.373 24 2HD ARG 4 HD2 ARG 4 -6.457 6.918 8.167 25 HE ARG 4 HE ARG 4 -5.064 5.298 7.131 26 1HH1 ARG 4 HH1 ARG 4 -4.725 8.239 5.250 27 2HH1 ARG 4 HH1 ARG 4 -3.199 7.736 4.568 28 1HH2 ARG 4 HH2 ARG 4 -3.269 4.634 6.007 29 2HH2 ARG 4 HH2 ARG 4 -2.477 5.679 4.878 30 H THR 5 HN THR 5 -10.033 4.839 4.598 31 HA THR 5 HA THR 5 -11.920 3.262 6.187 32 HB THR 5 HB THR 5 -13.679 4.079 4.613 33 HG1 THR 5 HG1 THR 5 -13.116 6.003 3.466 34 1HG2 THR 5 HG2 THR 5 -13.285 5.196 6.845 35 2HG2 THR 5 HG2 THR 5 -12.092 6.313 6.098 36 3HG2 THR 5 HG2 THR 5 -13.813 6.377 5.600 37 HA PRO 6 HA PRO 6 -10.855 -0.027 3.493 38 1HB PRO 6 HB2 PRO 6 -13.759 -0.892 3.219 39 2HB PRO 6 HB3 PRO 6 -12.347 -1.750 3.869 40 1HG PRO 6 HG2 PRO 6 -14.272 -0.712 5.521 41 2HG PRO 6 HG3 PRO 6 -12.526 -0.609 5.987 42 1HD PRO 6 HD2 PRO 6 -14.209 1.554 4.619 43 2HD PRO 6 HD3 PRO 6 -13.138 1.648 6.099 44 H LYS 7 HN LYS 7 -12.993 2.195 1.952 45 HA LYS 7 HA LYS 7 -12.797 1.172 -0.744 46 1HB LYS 7 HB3 LYS 7 -13.843 3.800 0.436 47 2HB LYS 7 HB2 LYS 7 -13.566 3.655 -1.320 48 1HG LYS 7 HG3 LYS 7 -15.849 3.281 -0.872 49 2HG LYS 7 HG2 LYS 7 -15.074 1.867 -1.646 50 1HD LYS 7 HD3 LYS 7 -15.073 0.627 0.503 51 2HD LYS 7 HD2 LYS 7 -15.773 2.055 1.353 52 1HE LYS 7 HE3 LYS 7 -17.147 0.522 -0.966 53 2HE LYS 7 HE2 LYS 7 -17.506 0.285 0.793 54 1HZ LYS 7 HZ1 LYS 7 -18.127 2.593 0.931 55 2HZ LYS 7 HZ2 LYS 7 -17.795 2.823 -0.718 56 3HZ LYS 7 HZ3 LYS 7 -19.045 1.777 -0.243 57 H ASP 8 HN ASP 8 -10.531 2.918 1.323 58 HA ASP 8 HA ASP 8 -9.044 4.133 -0.811 59 1HB ASP 8 HB3 ASP 8 -8.269 3.570 2.113 60 2HB ASP 8 HB2 ASP 8 -7.314 4.582 0.965 61 H CYS 9 HN CYS 9 -9.363 0.813 -0.053 62 HA CYS 9 HA CYS 9 -6.666 0.307 -1.201 63 1HB CYS 9 HB2 CYS 9 -7.574 -0.926 1.177 64 2HB CYS 9 HB3 CYS 9 -8.050 -2.093 -0.020 65 H ALA 10 HN ALA 10 -9.678 0.860 -2.330 66 HA ALA 10 HA ALA 10 -10.289 -1.377 -3.884 67 1HB ALA 10 HB1 ALA 10 -12.052 0.082 -4.858 68 2HB ALA 10 HB2 ALA 10 -11.978 0.247 -3.068 69 3HB ALA 10 HB3 ALA 10 -11.286 1.530 -4.107 70 H ASP 11 HN ASP 11 -8.954 1.855 -4.826 71 HA ASP 11 HA ASP 11 -8.305 1.010 -7.501 72 1HB ASP 11 HB2 ASP 11 -7.631 3.556 -5.943 73 2HB ASP 11 HB3 ASP 11 -6.996 3.255 -7.604 74 HA PRO 12 HA PRO 12 -3.765 0.285 -6.231 75 1HB PRO 12 HB3 PRO 12 -3.058 -0.123 -3.565 76 2HB PRO 12 HB2 PRO 12 -3.060 1.482 -4.396 77 1HG PRO 12 HG2 PRO 12 -5.196 0.201 -2.706 78 2HG PRO 12 HG3 PRO 12 -4.494 1.867 -2.514 79 1HD PRO 12 HD3 PRO 12 -6.883 1.474 -3.821 80 2HD PRO 12 HD2 PRO 12 -5.680 2.688 -4.456 81 H CYS 13 HN CYS 13 -6.635 -1.455 -5.034 82 HA CYS 13 HA CYS 13 -5.337 -4.002 -4.821 83 1HB CYS 13 HB2 CYS 13 -7.172 -3.731 -3.396 84 2HB CYS 13 HB3 CYS 13 -8.262 -3.240 -4.715 85 H ARG 14 HN ARG 14 -6.600 -2.069 -7.501 86 HA ARG 14 HA ARG 14 -6.998 -4.155 -9.360 87 1HB ARG 14 HB3 ARG 14 -7.966 -2.013 -9.668 88 2HB ARG 14 HB2 ARG 14 -6.374 -1.188 -9.716 89 1HG ARG 14 HG3 ARG 14 -5.863 -2.350 -11.856 90 2HG ARG 14 HG2 ARG 14 -7.317 -3.382 -11.653 91 1HD ARG 14 HD2 ARG 14 -7.342 -0.339 -12.414 92 2HD ARG 14 HD3 ARG 14 -7.755 -1.731 -13.452 93 HE ARG 14 HE ARG 14 -9.765 -2.193 -12.062 94 1HH1 ARG 14 HH1 ARG 14 -8.417 1.013 -11.539 95 2HH1 ARG 14 HH1 ARG 14 -9.759 1.518 -10.566 96 1HH2 ARG 14 HH2 ARG 14 -11.490 -1.392 -10.867 97 2HH2 ARG 14 HH2 ARG 14 -11.374 0.153 -10.134 98 H LYS 15 HN LYS 15 -4.104 -2.667 -8.134 99 HA LYS 15 HA LYS 15 -2.385 -3.625 -10.228 100 1HB LYS 15 HB2 LYS 15 -1.986 -1.497 -8.942 101 2HB LYS 15 HB3 LYS 15 -1.721 -2.438 -7.448 102 1HG LYS 15 HG3 LYS 15 0.345 -3.458 -8.535 103 2HG LYS 15 HG2 LYS 15 0.025 -2.464 -10.008 104 1HD LYS 15 HD3 LYS 15 0.238 -0.401 -8.549 105 2HD LYS 15 HD2 LYS 15 0.492 -1.484 -7.133 106 1HE LYS 15 HE3 LYS 15 2.633 -2.331 -8.151 107 2HE LYS 15 HE2 LYS 15 2.394 -1.220 -9.563 108 1HZ LYS 15 HZ1 LYS 15 2.649 -0.414 -6.707 109 2HZ LYS 15 HZ2 LYS 15 3.849 -0.289 -7.903 110 3HZ LYS 15 HZ3 LYS 15 2.427 0.633 -8.026 111 H GLU 16 HN GLU 16 -3.559 -4.900 -7.089 112 HA GLU 16 HA GLU 16 -1.533 -7.069 -7.160 113 1HB GLU 16 HB2 GLU 16 -1.972 -7.589 -4.784 114 2HB GLU 16 HB3 GLU 16 -1.420 -5.906 -5.018 115 1HG GLU 16 HG3 GLU 16 -3.718 -5.101 -4.820 116 2HG GLU 16 HG2 GLU 16 -4.371 -6.754 -4.475 117 H THR 17 HN THR 17 -5.126 -6.936 -6.483 118 HA THR 17 HA THR 17 -5.176 -9.726 -7.439 119 HB THR 17 HB THR 17 -6.923 -10.355 -5.953 120 HG1 THR 17 HG1 THR 17 -8.030 -8.703 -5.198 121 1HG2 THR 17 HG2 THR 17 -4.474 -10.558 -5.203 122 2HG2 THR 17 HG2 THR 17 -4.691 -8.961 -4.352 123 3HG2 THR 17 HG2 THR 17 -5.685 -10.355 -3.866 124 H GLY 18 HN GLY 18 -6.609 -6.518 -7.873 125 1HA GLY 18 HA1 GLY 18 -7.418 -6.012 -9.912 126 2HA GLY 18 HA2 GLY 18 -7.862 -7.668 -10.269 127 H CYS 19 HN CYS 19 -9.296 -5.993 -7.355 128 HA CYS 19 HA CYS 19 -11.492 -5.088 -8.997 129 1HB CYS 19 HB3 CYS 19 -11.796 -7.730 -7.698 130 2HB CYS 19 HB2 CYS 19 -13.042 -6.646 -7.131 131 HA PRO 20 HA PRO 20 -11.659 -2.162 -5.979 132 1HB PRO 20 HB2 PRO 20 -13.879 -0.825 -6.752 133 2HB PRO 20 HB3 PRO 20 -12.619 -1.235 -7.948 134 1HG PRO 20 HG3 PRO 20 -15.235 -2.766 -7.436 135 2HG PRO 20 HG2 PRO 20 -14.568 -2.172 -9.024 136 1HD PRO 20 HD2 PRO 20 -14.089 -4.782 -7.937 137 2HD PRO 20 HD3 PRO 20 -13.045 -3.913 -9.130 138 H TYR 21 HN TYR 21 -11.920 -4.105 -4.141 139 HA TYR 21 HA TYR 21 -14.080 -3.138 -2.402 140 1HB TYR 21 HB3 TYR 21 -13.984 -5.935 -3.643 141 2HB TYR 21 HB2 TYR 21 -14.397 -5.878 -1.919 142 HD1 TYR 21 HD1 TYR 21 -15.744 -5.036 -5.252 143 HD2 TYR 21 HD2 TYR 21 -16.322 -4.779 -0.997 144 HE1 TYR 21 HE1 TYR 21 -18.139 -4.419 -5.593 145 HE2 TYR 21 HE2 TYR 21 -18.647 -4.186 -1.322 146 HH TYR 21 HH TYR 21 -20.287 -3.607 -2.816 147 H GLY 22 HN GLY 22 -13.434 -3.307 -0.156 148 1HA GLY 22 HA1 GLY 22 -11.128 -4.981 0.454 149 2HA GLY 22 HA2 GLY 22 -10.802 -3.185 0.462 150 H LYS 23 HN LYS 23 -10.360 -4.663 2.675 151 HA LYS 23 HA LYS 23 -12.310 -3.616 4.601 152 1HB LYS 23 HB3 LYS 23 -10.801 -6.325 4.835 153 2HB LYS 23 HB2 LYS 23 -11.817 -5.571 6.094 154 1HG LYS 23 HG2 LYS 23 -12.918 -6.612 3.420 155 2HG LYS 23 HG3 LYS 23 -13.006 -7.401 5.035 156 1HD LYS 23 HD3 LYS 23 -14.184 -5.326 5.919 157 2HD LYS 23 HD2 LYS 23 -14.294 -4.696 4.236 158 1HE LYS 23 HE2 LYS 23 -15.517 -7.374 5.180 159 2HE LYS 23 HE3 LYS 23 -16.404 -5.801 5.046 160 1HZ LYS 23 HZ1 LYS 23 -16.719 -7.157 3.118 161 2HZ LYS 23 HZ2 LYS 23 -15.879 -5.737 2.714 162 3HZ LYS 23 HZ3 LYS 23 -15.048 -7.216 2.817 163 H CYS 24 HN CYS 24 -11.388 -2.296 5.976 164 HA CYS 24 HA CYS 24 -8.390 -2.265 6.036 165 1HB CYS 24 HB2 CYS 24 -9.416 -0.381 4.833 166 2HB CYS 24 HB3 CYS 24 -10.361 0.033 6.270 167 H MET 25 HN MET 25 -7.375 -2.143 7.922 168 HA MET 25 HA MET 25 -8.960 -2.260 10.413 169 1HB MET 25 HB3 MET 25 -6.810 -4.331 9.526 170 2HB MET 25 HB2 MET 25 -7.598 -4.310 11.137 171 1HG MET 25 HG3 MET 25 -9.797 -4.904 10.074 172 2HG MET 25 HG2 MET 25 -9.049 -4.923 8.460 173 1HE MET 25 HE1 MET 25 -8.423 -8.003 11.866 174 2HE MET 25 HE2 MET 25 -7.666 -6.384 12.016 175 3HE MET 25 HE3 MET 25 -9.456 -6.534 11.898 176 H ASN 26 HN ASN 26 -7.678 -0.218 9.408 177 HA ASN 26 HA ASN 26 -6.628 1.592 10.184 178 1HB ASN 26 HB3 ASN 26 -7.184 0.716 12.503 179 2HB ASN 26 HB2 ASN 26 -5.524 0.049 12.605 180 1HD2 ASN 26 HD2 ASN 26 -4.649 1.577 14.201 181 2HD2 ASN 26 HD2 ASN 26 -4.732 3.297 13.974 182 H ARG 27 HN ARG 27 -5.213 1.710 8.264 183 HA ARG 27 HA ARG 27 -3.416 2.117 7.270 184 1HB ARG 27 HB3 ARG 27 -1.836 1.744 9.843 185 2HB ARG 27 HB2 ARG 27 -1.178 2.334 8.286 186 1HG ARG 27 HG3 ARG 27 -1.634 4.398 8.921 187 2HG ARG 27 HG2 ARG 27 -3.337 4.043 8.491 188 1HD ARG 27 HD2 ARG 27 -3.820 3.486 10.871 189 2HD ARG 27 HD3 ARG 27 -2.104 3.811 11.319 190 HE ARG 27 HE ARG 27 -2.411 6.193 10.832 191 1HH1 ARG 27 HH1 ARG 27 -5.501 4.446 10.901 192 2HH1 ARG 27 HH1 ARG 27 -6.373 5.907 10.848 193 1HH2 ARG 27 HH2 ARG 27 -3.657 7.979 10.668 194 2HH2 ARG 27 HH2 ARG 27 -5.378 7.862 10.793 195 H LYS 28 HN LYS 28 -4.296 -0.770 7.753 196 HA LYS 28 HA LYS 28 -2.213 -2.123 6.133 197 1HB LYS 28 HB3 LYS 28 -2.008 -2.649 8.604 198 2HB LYS 28 HB2 LYS 28 -3.649 -3.352 8.580 199 1HG LYS 28 HG3 LYS 28 -2.804 -5.127 6.974 200 2HG LYS 28 HG2 LYS 28 -1.206 -4.286 6.916 201 1HD LYS 28 HD2 LYS 28 -0.919 -4.640 9.376 202 2HD LYS 28 HD3 LYS 28 -2.512 -5.475 9.440 203 1HE LYS 28 HE2 LYS 28 -1.614 -7.292 7.942 204 2HE LYS 28 HE3 LYS 28 -0.013 -6.442 7.875 205 1HZ LYS 28 HZ1 LYS 28 -1.357 -7.459 10.326 206 2HZ LYS 28 HZ2 LYS 28 -0.046 -8.176 9.517 207 3HZ LYS 28 HZ3 LYS 28 0.140 -6.660 10.263 208 H CYS 29 HN CYS 29 -3.047 -3.077 4.323 209 HA CYS 29 HA CYS 29 -5.925 -3.163 3.929 210 1HB CYS 29 HB2 CYS 29 -3.557 -3.599 1.993 211 2HB CYS 29 HB3 CYS 29 -5.265 -3.790 1.505 212 H LYS 30 HN LYS 30 -7.136 -4.727 3.305 213 HA LYS 30 HA LYS 30 -6.223 -7.371 2.542 214 1HB LYS 30 HB2 LYS 30 -6.988 -7.673 4.906 215 2HB LYS 30 HB3 LYS 30 -8.480 -6.751 4.567 216 1HG LYS 30 HG3 LYS 30 -9.182 -8.631 2.932 217 2HG LYS 30 HG2 LYS 30 -7.699 -9.532 3.438 218 1HD LYS 30 HD2 LYS 30 -8.574 -9.536 5.790 219 2HD LYS 30 HD3 LYS 30 -10.010 -8.602 5.256 220 1HE LYS 30 HE3 LYS 30 -10.690 -10.511 3.739 221 2HE LYS 30 HE2 LYS 30 -9.254 -11.455 4.306 222 1HZ LYS 30 HZ1 LYS 30 -11.467 -10.425 6.005 223 2HZ LYS 30 HZ2 LYS 30 -11.248 -12.028 5.488 224 3HZ LYS 30 HZ3 LYS 30 -10.125 -11.315 6.542 225 H CYS 31 HN CYS 31 -7.124 -7.647 0.463 226 HA CYS 31 HA CYS 31 -9.164 -5.819 -0.473 227 1HB CYS 31 HB2 CYS 31 -7.111 -6.298 -1.869 228 2HB CYS 31 HB3 CYS 31 -7.695 -7.900 -2.219 229 H ASN 32 HN ASN 32 -11.196 -6.610 -1.535 230 HA ASN 32 HA ASN 32 -12.019 -9.355 -0.818 231 1HB ASN 32 HB2 ASN 32 -12.888 -7.661 0.949 232 2HB ASN 32 HB3 ASN 32 -13.999 -7.017 -0.310 233 1HD2 ASN 32 HD2 ASN 32 -15.192 -8.121 1.975 234 2HD2 ASN 32 HD2 ASN 32 -15.791 -9.712 1.602 235 H ARG 33 HN ARG 33 -14.363 -9.641 -2.134 236 HA ARG 33 HA ARG 33 -13.529 -9.006 -4.918 237 1HB ARG 33 HB3 ARG 33 -14.829 -11.442 -3.692 238 2HB ARG 33 HB2 ARG 33 -14.683 -11.269 -5.450 239 1HG ARG 33 HG3 ARG 33 -12.391 -11.371 -3.318 240 2HG ARG 33 HG2 ARG 33 -12.899 -12.690 -4.400 241 1HD ARG 33 HD3 ARG 33 -10.773 -11.861 -5.090 242 2HD ARG 33 HD2 ARG 33 -11.918 -11.449 -6.411 243 HE ARG 33 HE ARG 33 -11.580 -9.187 -4.487 244 1HH1 ARG 33 HH1 ARG 33 -10.010 -10.869 -7.197 245 2HH1 ARG 33 HH1 ARG 33 -8.990 -9.552 -7.596 246 1HH2 ARG 33 HH2 ARG 33 -10.274 -7.486 -5.137 247 2HH2 ARG 33 HH2 ARG 33 -9.159 -7.674 -6.467 248 H CYS 34 HN CYS 34 -14.737 -8.663 -6.621 249 HA CYS 34 HA CYS 34 -17.166 -7.210 -6.300 250 1HB CYS 34 HB3 CYS 34 -16.656 -6.805 -8.780 251 2HB CYS 34 HB2 CYS 34 -15.370 -6.374 -7.629 252 1HN NH2 35 HT1 CYS 34 -17.865 -9.989 -5.735 253 2HN NH2 35 HT2 CYS 34 -18.805 -10.567 -7.103 Start of MODEL 13 1 2H ALA 1 HN2 ALA 1 -1.277 -3.775 -0.265 2 H ALA 1 HN ALA 1 0.059 -2.996 0.483 3 3H ALA 1 HN3 ALA 1 -1.371 -3.220 1.352 4 HA ALA 1 HA ALA 1 -0.766 -1.147 -0.556 5 1HB ALA 1 HB1 ALA 1 -2.567 -2.358 -1.814 6 2HB ALA 1 HB2 ALA 1 -3.572 -2.504 -0.321 7 3HB ALA 1 HB3 ALA 1 -3.291 -0.902 -1.080 8 H SER 2 HN SER 2 -1.847 0.940 0.370 9 HA SER 2 HA SER 2 -2.260 0.721 3.280 10 1HB SER 2 HB3 SER 2 -0.940 2.950 1.630 11 2HB SER 2 HB2 SER 2 -1.325 3.097 3.391 12 HG SER 2 HG SER 2 0.249 1.761 3.845 13 H CYS 3 HN CYS 3 -3.708 2.465 4.206 14 HA CYS 3 HA CYS 3 -5.485 3.886 2.440 15 1HB CYS 3 HB2 CYS 3 -7.609 2.653 3.430 16 2HB CYS 3 HB3 CYS 3 -6.635 1.801 2.224 17 H ARG 4 HN ARG 4 -6.905 5.371 3.725 18 HA ARG 4 HA ARG 4 -5.964 5.783 6.497 19 1HB ARG 4 HB2 ARG 4 -7.571 7.646 4.654 20 2HB ARG 4 HB3 ARG 4 -7.077 7.999 6.335 21 1HG ARG 4 HG3 ARG 4 -4.762 7.997 5.872 22 2HG ARG 4 HG2 ARG 4 -4.969 7.439 4.182 23 1HD ARG 4 HD3 ARG 4 -4.374 9.909 4.479 24 2HD ARG 4 HD2 ARG 4 -5.829 9.639 3.455 25 HE ARG 4 HE ARG 4 -6.308 10.015 6.392 26 1HH1 ARG 4 HH2 ARG 4 -6.017 11.734 3.336 27 2HH1 ARG 4 HH2 ARG 4 -6.919 13.084 3.932 28 1HH2 ARG 4 HH1 ARG 4 -7.635 11.613 6.962 29 2HH2 ARG 4 HH1 ARG 4 -7.782 13.057 6.003 30 H THR 5 HN THR 5 -8.971 5.787 4.469 31 HA THR 5 HA THR 5 -10.483 4.420 6.570 32 HB THR 5 HB THR 5 -12.538 5.479 5.666 33 HG1 THR 5 HG1 THR 5 -11.802 7.540 4.448 34 1HG2 THR 5 HG2 THR 5 -12.175 7.767 6.571 35 2HG2 THR 5 HG2 THR 5 -11.279 6.590 7.584 36 3HG2 THR 5 HG2 THR 5 -10.396 7.606 6.403 37 HA PRO 6 HA PRO 6 -10.616 1.277 3.432 38 1HB PRO 6 HB2 PRO 6 -13.627 0.820 3.725 39 2HB PRO 6 HB3 PRO 6 -12.260 -0.299 3.987 40 1HG PRO 6 HG2 PRO 6 -13.688 0.845 6.083 41 2HG PRO 6 HG3 PRO 6 -11.910 0.588 6.205 42 1HD PRO 6 HD2 PRO 6 -13.378 3.162 5.420 43 2HD PRO 6 HD3 PRO 6 -12.033 2.911 6.635 44 H LYS 7 HN LYS 7 -12.844 3.857 2.826 45 HA LYS 7 HA LYS 7 -13.636 3.417 0.169 46 1HB LYS 7 HB3 LYS 7 -13.324 6.025 1.772 47 2HB LYS 7 HB2 LYS 7 -14.208 5.878 0.222 48 1HG LYS 7 HG3 LYS 7 -14.942 4.440 2.856 49 2HG LYS 7 HG2 LYS 7 -15.693 5.939 2.226 50 1HD LYS 7 HD3 LYS 7 -15.814 3.180 0.836 51 2HD LYS 7 HD2 LYS 7 -17.093 3.929 1.847 52 1HE LYS 7 HE3 LYS 7 -17.306 5.827 0.217 53 2HE LYS 7 HE2 LYS 7 -16.076 5.037 -0.851 54 1HZ LYS 7 HZ1 LYS 7 -17.505 3.112 -0.977 55 2HZ LYS 7 HZ2 LYS 7 -18.660 3.856 0.022 56 3HZ LYS 7 HZ3 LYS 7 -18.308 4.513 -1.505 57 H ASP 8 HN ASP 8 -10.444 4.290 1.358 58 HA ASP 8 HA ASP 8 -9.578 5.408 -1.201 59 1HB ASP 8 HB3 ASP 8 -7.953 4.747 1.350 60 2HB ASP 8 HB2 ASP 8 -7.389 5.702 -0.077 61 H CYS 9 HN CYS 9 -10.139 2.162 -0.020 62 HA CYS 9 HA CYS 9 -7.832 1.139 -1.517 63 1HB CYS 9 HB3 CYS 9 -8.109 0.730 1.003 64 2HB CYS 9 HB2 CYS 9 -9.277 -0.538 0.552 65 H ALA 10 HN ALA 10 -9.826 2.107 -2.881 66 HA ALA 10 HA ALA 10 -11.200 -0.156 -4.183 67 1HB ALA 10 HB1 ALA 10 -11.248 2.850 -4.903 68 2HB ALA 10 HB2 ALA 10 -12.264 1.539 -5.619 69 3HB ALA 10 HB3 ALA 10 -12.455 1.985 -3.892 70 H ASP 11 HN ASP 11 -9.014 2.565 -5.397 71 HA ASP 11 HA ASP 11 -8.069 1.100 -7.572 72 1HB ASP 11 HB3 ASP 11 -8.309 3.563 -7.444 73 2HB ASP 11 HB2 ASP 11 -6.898 3.647 -6.348 74 HA PRO 12 HA PRO 12 -3.923 0.083 -5.179 75 1HB PRO 12 HB3 PRO 12 -4.984 -0.078 -2.282 76 2HB PRO 12 HB2 PRO 12 -3.370 0.479 -2.881 77 1HG PRO 12 HG2 PRO 12 -5.369 2.134 -2.005 78 2HG PRO 12 HG3 PRO 12 -4.308 2.625 -3.408 79 1HD PRO 12 HD3 PRO 12 -7.096 1.413 -3.422 80 2HD PRO 12 HD2 PRO 12 -6.459 2.813 -4.409 81 H CYS 13 HN CYS 13 -7.084 -1.224 -3.957 82 HA CYS 13 HA CYS 13 -6.177 -3.939 -3.570 83 1HB CYS 13 HB3 CYS 13 -8.250 -2.379 -2.661 84 2HB CYS 13 HB2 CYS 13 -9.131 -3.301 -3.828 85 H ARG 14 HN ARG 14 -7.613 -2.029 -6.193 86 HA ARG 14 HA ARG 14 -8.014 -4.042 -8.163 87 1HB ARG 14 HB3 ARG 14 -9.226 -1.928 -8.193 88 2HB ARG 14 HB2 ARG 14 -7.688 -1.012 -8.310 89 1HG ARG 14 HG3 ARG 14 -7.294 -2.025 -10.577 90 2HG ARG 14 HG2 ARG 14 -8.784 -3.011 -10.369 91 1HD ARG 14 HD2 ARG 14 -8.560 0.068 -10.872 92 2HD ARG 14 HD3 ARG 14 -9.264 -1.207 -11.931 93 HE ARG 14 HE ARG 14 -10.644 -1.164 -9.354 94 1HH1 ARG 14 HH2 ARG 14 -10.259 0.819 -12.208 95 2HH1 ARG 14 HH2 ARG 14 -11.698 1.736 -11.890 96 1HH2 ARG 14 HH1 ARG 14 -12.704 -0.182 -9.244 97 2HH2 ARG 14 HH1 ARG 14 -13.069 1.148 -10.292 98 H LYS 15 HN LYS 15 -5.173 -2.559 -6.897 99 HA LYS 15 HA LYS 15 -3.622 -3.165 -9.308 100 1HB LYS 15 HB2 LYS 15 -3.003 -1.543 -6.776 101 2HB LYS 15 HB3 LYS 15 -1.691 -2.007 -7.886 102 1HG LYS 15 HG3 LYS 15 -4.084 -0.274 -8.673 103 2HG LYS 15 HG2 LYS 15 -2.417 0.263 -8.273 104 1HD LYS 15 HD3 LYS 15 -1.669 -1.323 -10.228 105 2HD LYS 15 HD2 LYS 15 -3.416 -1.339 -10.680 106 1HE LYS 15 HE3 LYS 15 -1.614 1.173 -10.418 107 2HE LYS 15 HE2 LYS 15 -2.100 0.381 -11.973 108 1HZ LYS 15 HZ1 LYS 15 -3.458 2.275 -11.456 109 2HZ LYS 15 HZ2 LYS 15 -4.390 0.855 -11.432 110 3HZ LYS 15 HZ3 LYS 15 -3.936 1.596 -9.973 111 H GLU 16 HN GLU 16 -3.631 -3.932 -5.742 112 HA GLU 16 HA GLU 16 -1.551 -5.949 -6.074 113 1HB GLU 16 HB2 GLU 16 -1.717 -6.487 -3.655 114 2HB GLU 16 HB3 GLU 16 -1.585 -4.732 -3.840 115 1HG GLU 16 HG2 GLU 16 -4.196 -4.700 -3.704 116 2HG GLU 16 HG3 GLU 16 -4.148 -6.445 -3.308 117 H THR 17 HN THR 17 -5.101 -6.120 -5.894 118 HA THR 17 HA THR 17 -4.964 -9.075 -6.042 119 HB THR 17 HB THR 17 -7.373 -7.447 -5.079 120 HG1 THR 17 HG1 THR 17 -5.263 -8.653 -3.650 121 H GLY 18 HN GLY 18 -6.788 -6.208 -7.117 122 1HA GLY 18 HA1 GLY 18 -6.818 -5.857 -9.554 123 2HA GLY 18 HA2 GLY 18 -7.255 -7.550 -9.764 124 H CYS 19 HN CYS 19 -8.837 -6.553 -7.103 125 HA CYS 19 HA CYS 19 -11.324 -5.873 -8.573 126 1HB CYS 19 HB2 CYS 19 -10.785 -7.825 -6.212 127 2HB CYS 19 HB3 CYS 19 -12.437 -7.322 -6.672 128 HA PRO 20 HA PRO 20 -11.148 -2.482 -5.824 129 1HB PRO 20 HB2 PRO 20 -13.325 -1.163 -6.672 130 2HB PRO 20 HB3 PRO 20 -12.030 -1.639 -7.812 131 1HG PRO 20 HG3 PRO 20 -14.686 -3.071 -7.219 132 2HG PRO 20 HG2 PRO 20 -14.082 -2.548 -8.847 133 1HD PRO 20 HD2 PRO 20 -13.678 -5.113 -7.747 134 2HD PRO 20 HD3 PRO 20 -12.522 -4.296 -8.907 135 H TYR 21 HN TYR 21 -11.988 -4.835 -4.123 136 HA TYR 21 HA TYR 21 -13.964 -3.435 -2.382 137 1HB TYR 21 HB3 TYR 21 -13.961 -6.493 -3.012 138 2HB TYR 21 HB2 TYR 21 -15.126 -5.671 -1.944 139 HD1 TYR 21 HD1 TYR 21 -16.215 -3.364 -3.534 140 HD2 TYR 21 HD2 TYR 21 -14.907 -7.285 -4.776 141 HE1 TYR 21 HE1 TYR 21 -17.607 -3.198 -5.534 142 HE2 TYR 21 HE2 TYR 21 -16.329 -7.119 -6.761 143 HH TYR 21 HH TYR 21 -18.366 -4.276 -7.429 144 H GLY 22 HN GLY 22 -12.459 -2.751 -0.732 145 1HA GLY 22 HA1 GLY 22 -11.286 -5.068 0.746 146 2HA GLY 22 HA2 GLY 22 -10.223 -3.728 0.218 147 H LYS 23 HN LYS 23 -10.946 -4.763 3.012 148 HA LYS 23 HA LYS 23 -12.032 -2.282 4.145 149 1HB LYS 23 HB2 LYS 23 -13.403 -4.330 4.478 150 2HB LYS 23 HB3 LYS 23 -12.051 -5.126 5.341 151 1HG LYS 23 HG2 LYS 23 -12.220 -3.293 7.121 152 2HG LYS 23 HG3 LYS 23 -13.574 -2.548 6.204 153 1HD LYS 23 HD3 LYS 23 -13.579 -5.411 7.318 154 2HD LYS 23 HD2 LYS 23 -14.236 -3.986 8.195 155 1HE LYS 23 HE2 LYS 23 -15.304 -4.996 5.462 156 2HE LYS 23 HE3 LYS 23 -16.009 -5.376 7.079 157 1HZ LYS 23 HZ1 LYS 23 -16.354 -3.034 7.440 158 2HZ LYS 23 HZ2 LYS 23 -15.684 -2.658 5.925 159 3HZ LYS 23 HZ3 LYS 23 -17.123 -3.556 6.018 160 H CYS 24 HN CYS 24 -10.975 -1.257 5.646 161 HA CYS 24 HA CYS 24 -8.083 -1.668 5.698 162 1HB CYS 24 HB2 CYS 24 -9.220 0.355 4.820 163 2HB CYS 24 HB3 CYS 24 -9.796 0.745 6.440 164 H MET 25 HN MET 25 -7.169 -2.690 7.289 165 HA MET 25 HA MET 25 -8.081 -2.345 10.110 166 1HB MET 25 HB3 MET 25 -7.055 -4.872 8.650 167 2HB MET 25 HB2 MET 25 -7.206 -4.751 10.440 168 1HG MET 25 HG3 MET 25 -9.490 -4.739 8.396 169 2HG MET 25 HG2 MET 25 -9.040 -6.011 9.562 170 1HE MET 25 HE1 MET 25 -11.805 -5.042 9.012 171 2HE MET 25 HE2 MET 25 -11.552 -6.207 10.358 172 3HE MET 25 HE3 MET 25 -12.589 -4.765 10.609 173 H ASN 26 HN ASN 26 -6.559 -1.048 11.031 174 HA ASN 26 HA ASN 26 -4.706 0.015 11.511 175 1HB ASN 26 HB2 ASN 26 -4.446 -2.442 12.396 176 2HB ASN 26 HB3 ASN 26 -3.115 -2.624 11.219 177 1HD2 ASN 26 HD2 ASN 26 -1.498 -0.580 11.480 178 2HD2 ASN 26 HD2 ASN 26 -1.152 -0.108 13.133 179 H ARG 27 HN ARG 27 -5.291 0.324 8.810 180 HA ARG 27 HA ARG 27 -4.619 1.355 7.025 181 1HB ARG 27 HB3 ARG 27 -1.746 1.245 7.997 182 2HB ARG 27 HB2 ARG 27 -2.289 2.072 6.494 183 1HG ARG 27 HG3 ARG 27 -3.788 3.502 7.665 184 2HG ARG 27 HG2 ARG 27 -3.408 2.788 9.272 185 1HD ARG 27 HD2 ARG 27 -1.193 3.681 9.319 186 2HD ARG 27 HD3 ARG 27 -1.231 4.053 7.520 187 HE ARG 27 HE ARG 27 -3.453 5.321 8.944 188 1HH1 ARG 27 HH1 ARG 27 -0.093 5.816 8.156 189 2HH1 ARG 27 HH1 ARG 27 -0.245 7.562 8.191 190 1HH2 ARG 27 HH2 ARG 27 -3.649 7.457 8.856 191 2HH2 ARG 27 HH2 ARG 27 -2.305 8.470 8.479 192 H LYS 28 HN LYS 28 -4.431 -1.868 7.475 193 HA LYS 28 HA LYS 28 -3.245 -2.402 4.802 194 1HB LYS 28 HB2 LYS 28 -3.624 -4.343 7.178 195 2HB LYS 28 HB3 LYS 28 -2.985 -4.785 5.570 196 1HG LYS 28 HG2 LYS 28 -1.634 -2.905 7.605 197 2HG LYS 28 HG3 LYS 28 -1.186 -4.586 7.196 198 1HD LYS 28 HD2 LYS 28 -1.105 -2.172 5.263 199 2HD LYS 28 HD3 LYS 28 0.296 -2.839 6.163 200 1HE LYS 28 HE3 LYS 28 0.245 -4.940 4.919 201 2HE LYS 28 HE2 LYS 28 -1.311 -4.501 4.112 202 1HZ LYS 28 HZ1 LYS 28 -0.218 -2.655 3.056 203 2HZ LYS 28 HZ2 LYS 28 1.258 -3.048 3.796 204 3HZ LYS 28 HZ3 LYS 28 0.553 -4.121 2.685 205 H CYS 29 HN CYS 29 -4.372 -3.501 3.231 206 HA CYS 29 HA CYS 29 -7.274 -3.596 3.573 207 1HB CYS 29 HB2 CYS 29 -5.656 -3.738 0.976 208 2HB CYS 29 HB3 CYS 29 -7.431 -3.570 1.136 209 H LYS 30 HN LYS 30 -8.246 -5.501 3.973 210 HA LYS 30 HA LYS 30 -7.160 -8.025 2.902 211 1HB LYS 30 HB3 LYS 30 -8.637 -9.200 4.429 212 2HB LYS 30 HB2 LYS 30 -7.613 -8.031 5.307 213 1HG LYS 30 HG3 LYS 30 -9.626 -6.411 5.341 214 2HG LYS 30 HG2 LYS 30 -10.595 -7.768 4.679 215 1HD LYS 30 HD2 LYS 30 -9.738 -9.186 6.647 216 2HD LYS 30 HD3 LYS 30 -9.094 -7.671 7.366 217 1HE LYS 30 HE3 LYS 30 -11.480 -6.735 7.347 218 2HE LYS 30 HE2 LYS 30 -12.062 -8.316 6.683 219 1HZ LYS 30 HZ1 LYS 30 -10.641 -7.920 9.263 220 2HZ LYS 30 HZ2 LYS 30 -12.303 -8.197 9.051 221 3HZ LYS 30 HZ3 LYS 30 -11.181 -9.402 8.633 222 H CYS 31 HN CYS 31 -7.757 -8.352 0.879 223 HA CYS 31 HA CYS 31 -9.923 -6.816 -0.239 224 1HB CYS 31 HB3 CYS 31 -7.424 -7.075 -1.061 225 2HB CYS 31 HB2 CYS 31 -7.989 -8.516 -1.911 226 H ASN 32 HN ASN 32 -11.619 -7.460 -1.371 227 HA ASN 32 HA ASN 32 -12.446 -10.314 -1.319 228 1HB ASN 32 HB3 ASN 32 -14.378 -7.928 -1.570 229 2HB ASN 32 HB2 ASN 32 -14.711 -9.588 -0.996 230 1HD2 ASN 32 HD2 ASN 32 -13.337 -6.457 -0.001 231 2HD2 ASN 32 HD2 ASN 32 -13.574 -6.809 1.706 232 H ARG 33 HN ARG 33 -13.901 -10.836 -2.975 233 HA ARG 33 HA ARG 33 -12.371 -10.950 -5.337 234 1HB ARG 33 HB3 ARG 33 -14.311 -12.934 -5.415 235 2HB ARG 33 HB2 ARG 33 -12.847 -12.972 -4.432 236 1HG ARG 33 HG2 ARG 33 -14.656 -13.796 -3.220 237 2HG ARG 33 HG3 ARG 33 -14.289 -12.285 -2.393 238 1HD ARG 33 HD3 ARG 33 -16.667 -12.945 -4.284 239 2HD ARG 33 HD2 ARG 33 -16.688 -12.775 -2.474 240 HE ARG 33 HE ARG 33 -15.829 -10.319 -3.975 241 1HH1 ARG 33 HH1 ARG 33 -18.749 -12.016 -2.890 242 2HH1 ARG 33 HH1 ARG 33 -19.723 -10.775 -3.616 243 1HH2 ARG 33 HH2 ARG 33 -17.100 -8.973 -4.809 244 2HH2 ARG 33 HH2 ARG 33 -18.834 -8.984 -4.508 245 H CYS 34 HN CYS 34 -13.117 -10.997 -7.574 246 HA CYS 34 HA CYS 34 -15.722 -10.210 -8.286 247 1HB CYS 34 HB2 CYS 34 -15.299 -8.177 -9.446 248 2HB CYS 34 HB3 CYS 34 -14.593 -7.918 -7.831 249 1HN CYS 35 HT1 CYS 34 -15.851 -10.670 -10.773 250 2HN CYS 35 HT2 CYS 34 -14.562 -11.640 -11.450 Start of MODEL 14 1 2H ALA 1 HN2 ALA 1 -0.904 -1.414 2.027 2 H ALA 1 HN ALA 1 -0.162 -0.024 2.676 3 3H ALA 1 HN3 ALA 1 -1.692 -0.494 3.213 4 HA ALA 1 HA ALA 1 -1.017 0.472 0.462 5 1HB ALA 1 HB1 ALA 1 -3.769 -0.251 1.748 6 2HB ALA 1 HB2 ALA 1 -3.544 0.276 0.047 7 3HB ALA 1 HB3 ALA 1 -2.898 -1.291 0.578 8 H SER 2 HN SER 2 -2.507 2.590 0.025 9 HA SER 2 HA SER 2 -2.027 4.580 2.026 10 1HB SER 2 HB3 SER 2 -3.034 5.986 0.048 11 2HB SER 2 HB2 SER 2 -1.599 5.003 -0.384 12 HG SER 2 HG SER 2 -4.330 4.418 -0.869 13 H CYS 3 HN CYS 3 -3.678 3.348 3.677 14 HA CYS 3 HA CYS 3 -6.334 4.488 3.098 15 1HB CYS 3 HB2 CYS 3 -7.642 2.476 3.333 16 2HB CYS 3 HB3 CYS 3 -6.520 2.400 1.975 17 H ARG 4 HN ARG 4 -7.089 5.574 4.703 18 HA ARG 4 HA ARG 4 -6.674 4.772 7.472 19 1HB ARG 4 HB2 ARG 4 -7.890 7.275 6.114 20 2HB ARG 4 HB3 ARG 4 -7.961 6.991 7.886 21 1HG ARG 4 HG3 ARG 4 -5.391 7.383 6.274 22 2HG ARG 4 HG2 ARG 4 -6.219 8.534 7.385 23 1HD ARG 4 HD2 ARG 4 -5.823 6.826 9.297 24 2HD ARG 4 HD3 ARG 4 -4.827 5.885 8.096 25 HE ARG 4 HE ARG 4 -4.201 8.805 8.491 26 1HH1 ARG 4 HH1 ARG 4 -3.527 5.561 9.624 27 2HH1 ARG 4 HH1 ARG 4 -2.071 6.046 10.417 28 1HH2 ARG 4 HH2 ARG 4 -2.269 9.344 9.451 29 2HH2 ARG 4 HH2 ARG 4 -1.383 8.160 10.340 30 H THR 5 HN THR 5 -9.226 5.162 4.897 31 HA THR 5 HA THR 5 -10.956 3.425 6.525 32 HB THR 5 HB THR 5 -12.966 4.372 5.559 33 HG1 THR 5 HG1 THR 5 -12.515 6.601 4.654 34 1HG2 THR 5 HG2 THR 5 -12.947 6.553 6.779 35 2HG2 THR 5 HG2 THR 5 -12.039 5.317 7.714 36 3HG2 THR 5 HG2 THR 5 -11.149 6.570 6.782 37 HA PRO 6 HA PRO 6 -10.430 0.627 3.099 38 1HB PRO 6 HB2 PRO 6 -13.378 -0.160 3.285 39 2HB PRO 6 HB3 PRO 6 -11.901 -1.176 3.401 40 1HG PRO 6 HG3 PRO 6 -13.362 -0.494 5.636 41 2HG PRO 6 HG2 PRO 6 -11.547 -0.465 5.683 42 1HD PRO 6 HD3 PRO 6 -13.379 1.939 5.299 43 2HD PRO 6 HD2 PRO 6 -11.945 1.639 6.411 44 H LYS 7 HN LYS 7 -12.830 3.090 2.641 45 HA LYS 7 HA LYS 7 -13.470 2.794 -0.103 46 1HB LYS 7 HB3 LYS 7 -13.544 5.268 1.723 47 2HB LYS 7 HB2 LYS 7 -14.323 5.143 0.106 48 1HG LYS 7 HG3 LYS 7 -15.037 3.367 2.524 49 2HG LYS 7 HG2 LYS 7 -15.895 4.865 2.023 50 1HD LYS 7 HD3 LYS 7 -16.498 3.876 -0.150 51 2HD LYS 7 HD2 LYS 7 -15.623 2.353 0.244 52 1HE LYS 7 HE3 LYS 7 -17.171 1.902 2.136 53 2HE LYS 7 HE2 LYS 7 -18.024 3.472 1.833 54 1HZ LYS 7 HZ1 LYS 7 -17.810 1.200 -0.071 55 2HZ LYS 7 HZ2 LYS 7 -19.169 1.619 0.858 56 3HZ LYS 7 HZ3 LYS 7 -18.608 2.671 -0.352 57 H ASP 8 HN ASP 8 -10.496 3.778 1.413 58 HA ASP 8 HA ASP 8 -9.481 5.141 -0.962 59 1HB ASP 8 HB3 ASP 8 -7.979 4.486 1.644 60 2HB ASP 8 HB2 ASP 8 -7.511 5.665 0.365 61 H CYS 9 HN CYS 9 -9.820 1.767 -0.033 62 HA CYS 9 HA CYS 9 -7.172 1.071 -1.007 63 1HB CYS 9 HB2 CYS 9 -8.392 -0.372 0.998 64 2HB CYS 9 HB3 CYS 9 -9.061 -1.195 -0.372 65 H ALA 10 HN ALA 10 -9.970 1.773 -2.582 66 HA ALA 10 HA ALA 10 -10.726 -0.021 -4.381 67 1HB ALA 10 HB1 ALA 10 -11.673 2.222 -4.156 68 2HB ALA 10 HB2 ALA 10 -10.271 2.942 -5.011 69 3HB ALA 10 HB3 ALA 10 -11.399 1.830 -5.884 70 H ASP 11 HN ASP 11 -8.057 2.177 -5.284 71 HA ASP 11 HA ASP 11 -7.167 0.632 -7.551 72 1HB ASP 11 HB2 ASP 11 -5.890 3.143 -6.313 73 2HB ASP 11 HB3 ASP 11 -5.441 2.405 -7.893 74 HA PRO 12 HA PRO 12 -3.287 -0.422 -4.912 75 1HB PRO 12 HB3 PRO 12 -3.302 -0.290 -2.134 76 2HB PRO 12 HB2 PRO 12 -2.846 1.079 -3.210 77 1HG PRO 12 HG3 PRO 12 -5.593 0.467 -2.126 78 2HG PRO 12 HG2 PRO 12 -4.713 2.011 -1.856 79 1HD PRO 12 HD2 PRO 12 -6.507 1.897 -3.843 80 2HD PRO 12 HD3 PRO 12 -4.857 2.535 -4.282 81 H CYS 13 HN CYS 13 -6.601 -1.351 -3.739 82 HA CYS 13 HA CYS 13 -5.769 -4.077 -3.126 83 1HB CYS 13 HB3 CYS 13 -8.029 -2.688 -2.370 84 2HB CYS 13 HB2 CYS 13 -8.717 -3.578 -3.697 85 H ARG 14 HN ARG 14 -7.054 -2.341 -5.990 86 HA ARG 14 HA ARG 14 -7.534 -4.587 -7.730 87 1HB ARG 14 HB3 ARG 14 -8.708 -2.441 -7.966 88 2HB ARG 14 HB2 ARG 14 -7.175 -1.567 -8.271 89 1HG ARG 14 HG3 ARG 14 -6.946 -3.047 -10.428 90 2HG ARG 14 HG2 ARG 14 -8.522 -3.769 -9.943 91 1HD ARG 14 HD3 ARG 14 -8.091 -0.934 -11.034 92 2HD ARG 14 HD2 ARG 14 -8.980 -2.304 -11.760 93 HE ARG 14 HE ARG 14 -9.771 -0.830 -9.208 94 HH1 ARG 14 HH1 ARG 14 -13.054 -0.956 -10.139 95 HH1 ARG 14 HH1 ARG 14 -11.839 -0.065 -9.293 96 HH2 ARG 14 HH2 ARG 14 -12.475 -2.648 -11.488 97 HH2 ARG 14 HH2 ARG 14 -10.825 -3.196 -11.513 98 H LYS 15 HN LYS 15 -4.922 -2.123 -7.411 99 HA LYS 15 HA LYS 15 -3.263 -3.018 -9.451 100 1HB LYS 15 HB2 LYS 15 -3.361 -0.776 -8.294 101 2HB LYS 15 HB3 LYS 15 -2.503 -1.474 -6.889 102 1HG LYS 15 HG3 LYS 15 -0.477 -1.861 -8.340 103 2HG LYS 15 HG2 LYS 15 -1.427 -1.353 -9.775 104 1HD LYS 15 HD3 LYS 15 0.041 0.369 -9.151 105 2HD LYS 15 HD2 LYS 15 -1.628 0.963 -8.827 106 1HE LYS 15 HE3 LYS 15 0.256 -0.159 -6.614 107 2HE LYS 15 HE2 LYS 15 0.271 1.574 -7.137 108 1HZ LYS 15 HZ1 LYS 15 -2.083 0.131 -6.061 109 2HZ LYS 15 HZ2 LYS 15 -1.103 1.245 -5.233 110 3HZ LYS 15 HZ3 LYS 15 -2.030 1.754 -6.562 111 H GLU 16 HN GLU 16 -3.591 -4.152 -6.215 112 HA GLU 16 HA GLU 16 -1.348 -6.072 -6.456 113 1HB GLU 16 HB2 GLU 16 -1.428 -6.616 -4.073 114 2HB GLU 16 HB3 GLU 16 -1.366 -4.840 -4.237 115 1HG GLU 16 HG3 GLU 16 -3.958 -4.974 -4.031 116 2HG GLU 16 HG2 GLU 16 -3.762 -6.648 -3.440 117 H THR 17 HN THR 17 -4.930 -6.272 -5.660 118 HA THR 17 HA THR 17 -4.831 -9.065 -6.659 119 HB THR 17 HB THR 17 -6.623 -9.471 -4.783 120 HG1 THR 17 HG1 THR 17 -6.344 -6.914 -4.452 121 H GLY 18 HN GLY 18 -5.830 -6.670 -8.319 122 1HA GLY 18 HA1 GLY 18 -7.126 -6.977 -10.084 123 2HA GLY 18 HA2 GLY 18 -8.013 -8.271 -9.280 124 H CYS 19 HN CYS 19 -9.237 -6.616 -7.152 125 HA CYS 19 HA CYS 19 -11.046 -4.870 -8.766 126 1HB CYS 19 HB2 CYS 19 -11.588 -7.633 -7.814 127 2HB CYS 19 HB3 CYS 19 -12.713 -6.521 -7.006 128 HA PRO 20 HA PRO 20 -10.888 -2.327 -5.399 129 1HB PRO 20 HB2 PRO 20 -13.012 -0.722 -5.784 130 2HB PRO 20 HB3 PRO 20 -11.902 -1.071 -7.133 131 1HG PRO 20 HG3 PRO 20 -14.577 -2.461 -6.494 132 2HG PRO 20 HG2 PRO 20 -14.102 -1.674 -8.057 133 1HD PRO 20 HD3 PRO 20 -13.746 -4.408 -7.462 134 2HD PRO 20 HD2 PRO 20 -12.667 -3.476 -8.612 135 H TYR 21 HN TYR 21 -11.794 -4.856 -4.427 136 HA TYR 21 HA TYR 21 -13.881 -4.284 -2.381 137 1HB TYR 21 HB3 TYR 21 -13.399 -6.744 -4.225 138 2HB TYR 21 HB2 TYR 21 -13.628 -7.114 -2.536 139 HD1 TYR 21 HD1 TYR 21 -15.645 -6.849 -1.368 140 HD2 TYR 21 HD2 TYR 21 -15.246 -5.417 -5.399 141 HE1 TYR 21 HE1 TYR 21 -18.058 -6.829 -1.561 142 HE2 TYR 21 HE2 TYR 21 -17.747 -5.345 -5.603 143 HH TYR 21 HH TYR 21 -19.858 -6.568 -3.025 144 H GLY 22 HN GLY 22 -12.331 -3.296 -0.838 145 1HA GLY 22 HA1 GLY 22 -10.792 -5.459 0.535 146 2HA GLY 22 HA2 GLY 22 -9.994 -3.900 0.155 147 H LYS 23 HN LYS 23 -10.421 -5.337 2.720 148 HA LYS 23 HA LYS 23 -11.920 -3.282 4.196 149 1HB LYS 23 HB2 LYS 23 -11.522 -6.218 4.951 150 2HB LYS 23 HB3 LYS 23 -12.327 -5.058 5.961 151 1HG LYS 23 HG3 LYS 23 -14.189 -4.673 4.515 152 2HG LYS 23 HG2 LYS 23 -13.549 -5.701 3.202 153 1HD LYS 23 HD3 LYS 23 -14.349 -6.703 5.995 154 2HD LYS 23 HD2 LYS 23 -15.288 -6.828 4.468 155 1HE LYS 23 HE2 LYS 23 -13.420 -8.195 3.435 156 2HE LYS 23 HE3 LYS 23 -12.569 -8.200 5.033 157 1HZ LYS 23 HZ1 LYS 23 -14.506 -9.229 5.994 158 2HZ LYS 23 HZ2 LYS 23 -15.299 -9.226 4.491 159 3HZ LYS 23 HZ3 LYS 23 -13.886 -10.147 4.705 160 H CYS 24 HN CYS 24 -10.615 -2.034 5.184 161 HA CYS 24 HA CYS 24 -7.772 -2.586 5.586 162 1HB CYS 24 HB2 CYS 24 -8.428 -0.853 3.899 163 2HB CYS 24 HB3 CYS 24 -9.350 0.019 5.167 164 H MET 25 HN MET 25 -7.203 -2.927 7.645 165 HA MET 25 HA MET 25 -8.699 -1.636 9.891 166 1HB MET 25 HB3 MET 25 -7.328 -4.397 9.765 167 2HB MET 25 HB2 MET 25 -7.973 -3.685 11.274 168 1HG MET 25 HG2 MET 25 -10.257 -3.838 10.552 169 2HG MET 25 HG3 MET 25 -9.831 -4.339 8.900 170 1HE MET 25 HE1 MET 25 -8.509 -7.940 9.189 171 2HE MET 25 HE2 MET 25 -8.806 -6.501 8.153 172 3HE MET 25 HE3 MET 25 -7.419 -6.521 9.302 173 H ASN 26 HN ASN 26 -7.099 -0.126 8.872 174 HA ASN 26 HA ASN 26 -5.629 1.446 9.406 175 1HB ASN 26 HB3 ASN 26 -5.506 0.761 11.804 176 2HB ASN 26 HB2 ASN 26 -4.130 -0.308 11.391 177 1HD2 ASN 26 HD2 ASN 26 -2.858 1.055 12.932 178 2HD2 ASN 26 HD2 ASN 26 -2.224 2.572 12.307 179 H ARG 27 HN ARG 27 -4.925 1.371 7.162 180 HA ARG 27 HA ARG 27 -3.787 1.116 5.460 181 1HB ARG 27 HB3 ARG 27 -1.330 0.599 7.160 182 2HB ARG 27 HB2 ARG 27 -1.428 1.347 5.520 183 1HG ARG 27 HG3 ARG 27 -2.997 3.146 6.666 184 2HG ARG 27 HG2 ARG 27 -2.403 2.449 8.207 185 1HD ARG 27 HD3 ARG 27 -1.006 4.332 7.899 186 2HD ARG 27 HD2 ARG 27 0.006 2.959 7.328 187 HE ARG 27 HE ARG 27 -0.216 3.745 5.072 188 1HH1 ARG 27 HH1 ARG 27 -2.546 5.444 7.003 189 2HH1 ARG 27 HH1 ARG 27 -2.644 6.798 5.954 190 1HH2 ARG 27 HH2 ARG 27 -0.225 5.591 3.777 191 2HH2 ARG 27 HH2 ARG 27 -1.306 6.896 4.151 192 H LYS 28 HN LYS 28 -4.240 -1.870 6.950 193 HA LYS 28 HA LYS 28 -2.875 -3.341 4.747 194 1HB LYS 28 HB2 LYS 28 -3.753 -4.395 7.514 195 2HB LYS 28 HB3 LYS 28 -3.071 -5.389 6.192 196 1HG LYS 28 HG3 LYS 28 -0.951 -4.048 6.251 197 2HG LYS 28 HG2 LYS 28 -1.593 -3.100 7.632 198 1HD LYS 28 HD3 LYS 28 -0.166 -4.781 8.542 199 2HD LYS 28 HD2 LYS 28 -1.857 -5.216 8.959 200 1HE LYS 28 HE2 LYS 28 -1.837 -6.980 7.141 201 2HE LYS 28 HE3 LYS 28 -0.149 -6.492 6.699 202 1HZ LYS 28 HZ1 LYS 28 0.541 -7.095 8.918 203 2HZ LYS 28 HZ2 LYS 28 -1.044 -7.547 9.331 204 3HZ LYS 28 HZ3 LYS 28 -0.204 -8.402 8.128 205 H CYS 29 HN CYS 29 -4.192 -3.873 3.043 206 HA CYS 29 HA CYS 29 -7.067 -4.097 3.519 207 1HB CYS 29 HB2 CYS 29 -5.597 -4.146 0.823 208 2HB CYS 29 HB3 CYS 29 -7.364 -3.947 1.117 209 H LYS 30 HN LYS 30 -7.928 -5.988 3.906 210 HA LYS 30 HA LYS 30 -6.841 -8.506 2.807 211 1HB LYS 30 HB2 LYS 30 -9.251 -8.023 4.690 212 2HB LYS 30 HB3 LYS 30 -8.508 -9.607 4.288 213 1HG LYS 30 HG2 LYS 30 -7.274 -7.298 5.921 214 2HG LYS 30 HG3 LYS 30 -7.925 -8.844 6.552 215 1HD LYS 30 HD3 LYS 30 -5.467 -8.577 4.704 216 2HD LYS 30 HD2 LYS 30 -5.397 -8.706 6.486 217 1HE LYS 30 HE2 LYS 30 -6.587 -10.924 4.678 218 2HE LYS 30 HE3 LYS 30 -4.887 -10.866 5.286 219 1HZ LYS 30 HZ1 LYS 30 -6.280 -12.224 6.664 220 2HZ LYS 30 HZ2 LYS 30 -5.718 -10.874 7.530 221 3HZ LYS 30 HZ3 LYS 30 -7.324 -10.923 6.983 222 H CYS 31 HN CYS 31 -7.456 -8.765 0.658 223 HA CYS 31 HA CYS 31 -9.641 -7.170 -0.345 224 1HB CYS 31 HB3 CYS 31 -7.192 -7.593 -1.315 225 2HB CYS 31 HB2 CYS 31 -7.987 -8.896 -2.206 226 H ASN 32 HN ASN 32 -11.223 -8.030 -1.991 227 HA ASN 32 HA ASN 32 -12.091 -10.813 -1.602 228 1HB ASN 32 HB3 ASN 32 -13.182 -8.786 -0.013 229 2HB ASN 32 HB2 ASN 32 -14.289 -8.619 -1.359 230 1HD2 ASN 32 HD2 ASN 32 -13.113 -10.742 1.202 231 2HD2 ASN 32 HD2 ASN 32 -14.363 -11.936 1.000 232 H ARG 33 HN ARG 33 -14.672 -10.504 -2.897 233 HA ARG 33 HA ARG 33 -13.744 -9.936 -5.613 234 1HB ARG 33 HB2 ARG 33 -13.687 -12.401 -4.721 235 2HB ARG 33 HB3 ARG 33 -15.428 -12.368 -4.951 236 1HG ARG 33 HG3 ARG 33 -14.611 -13.281 -7.027 237 2HG ARG 33 HG2 ARG 33 -14.867 -11.570 -7.459 238 1HD ARG 33 HD2 ARG 33 -12.236 -13.150 -7.239 239 2HD ARG 33 HD3 ARG 33 -12.863 -12.028 -8.504 240 HE ARG 33 HE ARG 33 -12.344 -10.602 -5.939 241 1HH1 ARG 33 HH1 ARG 33 -10.776 -11.631 -8.904 242 2HH1 ARG 33 HH1 ARG 33 -9.412 -10.583 -8.553 243 1HH2 ARG 33 HH2 ARG 33 -10.638 -9.655 -5.438 244 2HH2 ARG 33 HH2 ARG 33 -9.274 -9.522 -6.540 245 H CYS 34 HN CYS 34 -14.798 -9.072 -7.143 246 HA CYS 34 HA CYS 34 -17.239 -7.693 -6.596 247 1HB CYS 34 HB3 CYS 34 -16.490 -6.643 -8.861 248 2HB CYS 34 HB2 CYS 34 -15.368 -6.462 -7.490 249 1HN NH2 35 HT1 CYS 34 -16.962 -10.832 -7.556 250 2HN NH2 35 HT2 CYS 34 -18.253 -10.853 -8.752 Start of MODEL 15 1 2H ALA 1 HN2 ALA 1 0.561 -1.105 0.290 2 H ALA 1 HN ALA 1 0.912 -0.367 -1.211 3 3H ALA 1 HN3 ALA 1 1.711 0.127 0.206 4 HA ALA 1 HA ALA 1 0.012 1.746 -0.114 5 1HB ALA 1 HB1 ALA 1 -1.836 -0.708 -0.721 6 2HB ALA 1 HB2 ALA 1 -2.391 1.002 -0.729 7 3HB ALA 1 HB3 ALA 1 -1.188 0.456 -1.926 8 H SER 2 HN SER 2 -1.966 2.261 1.467 9 HA SER 2 HA SER 2 -2.203 0.532 3.777 10 1HB SER 2 HB3 SER 2 -1.781 2.543 5.335 11 2HB SER 2 HB2 SER 2 -0.317 1.925 4.501 12 HG SER 2 HG SER 2 -0.445 4.200 4.409 13 H CYS 3 HN CYS 3 -4.156 1.442 5.120 14 HA CYS 3 HA CYS 3 -5.976 2.908 3.254 15 1HB CYS 3 HB2 CYS 3 -7.904 1.676 4.059 16 2HB CYS 3 HB3 CYS 3 -6.660 0.638 3.355 17 H ARG 4 HN ARG 4 -7.832 3.846 4.415 18 HA ARG 4 HA ARG 4 -7.191 5.283 6.909 19 1HB ARG 4 HB2 ARG 4 -8.480 6.723 4.474 20 2HB ARG 4 HB3 ARG 4 -7.984 7.454 5.988 21 1HG ARG 4 HG3 ARG 4 -6.167 6.289 3.754 22 2HG ARG 4 HG2 ARG 4 -6.649 8.005 3.978 23 1HD ARG 4 HD3 ARG 4 -5.263 8.269 5.947 24 2HD ARG 4 HD2 ARG 4 -4.862 6.514 6.000 25 HE ARG 4 HE ARG 4 -3.876 8.541 3.926 26 1HH1 ARG 4 HH1 ARG 4 -3.851 5.100 4.950 27 2HH1 ARG 4 HH1 ARG 4 -2.435 4.784 3.981 28 1HH2 ARG 4 HH2 ARG 4 -2.085 7.841 2.645 29 2HH2 ARG 4 HH2 ARG 4 -1.680 6.144 2.668 30 H THR 5 HN THR 5 -9.670 4.729 4.301 31 HA THR 5 HA THR 5 -11.577 3.640 6.177 32 HB THR 5 HB THR 5 -13.374 4.504 4.699 33 HG1 THR 5 HG1 THR 5 -12.632 6.274 3.283 34 1HG2 THR 5 HG2 THR 5 -12.590 5.910 6.666 35 2HG2 THR 5 HG2 THR 5 -11.407 6.761 5.614 36 3HG2 THR 5 HG2 THR 5 -13.170 6.934 5.312 37 HA PRO 6 HA PRO 6 -10.765 0.120 3.592 38 1HB PRO 6 HB2 PRO 6 -13.771 -0.446 3.286 39 2HB PRO 6 HB3 PRO 6 -12.470 -1.480 3.898 40 1HG PRO 6 HG2 PRO 6 -14.223 -0.256 5.616 41 2HG PRO 6 HG3 PRO 6 -12.455 -0.272 6.006 42 1HD PRO 6 HD2 PRO 6 -13.997 2.004 4.668 43 2HD PRO 6 HD3 PRO 6 -12.882 1.993 6.126 44 H LYS 7 HN LYS 7 -12.604 2.507 1.917 45 HA LYS 7 HA LYS 7 -12.509 1.199 -0.686 46 1HB LYS 7 HB3 LYS 7 -14.386 2.697 0.099 47 2HB LYS 7 HB2 LYS 7 -13.305 4.106 -0.128 48 1HG LYS 7 HG3 LYS 7 -13.117 3.500 -2.568 49 2HG LYS 7 HG2 LYS 7 -14.069 2.000 -2.265 50 1HD LYS 7 HD3 LYS 7 -16.024 3.374 -1.532 51 2HD LYS 7 HD2 LYS 7 -15.092 4.881 -1.842 52 1HE LYS 7 HE3 LYS 7 -14.959 4.299 -4.287 53 2HE LYS 7 HE2 LYS 7 -15.898 2.781 -3.971 54 1HZ LYS 7 HZ1 LYS 7 -17.288 4.561 -4.741 55 2HZ LYS 7 HZ2 LYS 7 -17.702 4.134 -3.151 56 3HZ LYS 7 HZ3 LYS 7 -16.824 5.558 -3.447 57 H ASP 8 HN ASP 8 -10.189 2.955 1.244 58 HA ASP 8 HA ASP 8 -8.731 4.074 -0.992 59 1HB ASP 8 HB3 ASP 8 -7.904 3.772 1.953 60 2HB ASP 8 HB2 ASP 8 -6.995 4.693 0.702 61 H CYS 9 HN CYS 9 -9.004 0.798 0.047 62 HA CYS 9 HA CYS 9 -6.307 0.226 -1.116 63 1HB CYS 9 HB2 CYS 9 -7.248 -0.911 1.336 64 2HB CYS 9 HB3 CYS 9 -7.709 -2.114 0.168 65 H ALA 10 HN ALA 10 -9.327 0.719 -2.184 66 HA ALA 10 HA ALA 10 -9.934 -1.544 -3.715 67 1HB ALA 10 HB1 ALA 10 -11.639 -0.025 -2.707 68 2HB ALA 10 HB2 ALA 10 -11.083 1.319 -3.754 69 3HB ALA 10 HB3 ALA 10 -11.858 -0.101 -4.489 70 H ASP 11 HN ASP 11 -8.937 1.837 -4.783 71 HA ASP 11 HA ASP 11 -8.462 1.069 -7.470 72 1HB ASP 11 HB2 ASP 11 -7.784 3.525 -5.808 73 2HB ASP 11 HB3 ASP 11 -6.932 3.336 -7.374 74 HA PRO 12 HA PRO 12 -3.865 0.111 -6.566 75 1HB PRO 12 HB3 PRO 12 -3.070 -0.517 -3.932 76 2HB PRO 12 HB2 PRO 12 -3.080 1.175 -4.578 77 1HG PRO 12 HG3 PRO 12 -5.271 -0.307 -3.086 78 2HG PRO 12 HG2 PRO 12 -4.514 1.232 -2.561 79 1HD PRO 12 HD3 PRO 12 -6.813 1.338 -3.924 80 2HD PRO 12 HD2 PRO 12 -5.477 2.445 -4.468 81 H CYS 13 HN CYS 13 -6.684 -1.584 -4.991 82 HA CYS 13 HA CYS 13 -5.407 -4.139 -5.294 83 1HB CYS 13 HB3 CYS 13 -7.443 -3.599 -3.649 84 2HB CYS 13 HB2 CYS 13 -8.412 -4.103 -5.005 85 H ARG 14 HN ARG 14 -7.176 -2.092 -7.425 86 HA ARG 14 HA ARG 14 -8.044 -4.004 -9.357 87 1HB ARG 14 HB3 ARG 14 -8.970 -2.321 -10.500 88 2HB ARG 14 HB2 ARG 14 -8.679 -1.447 -8.980 89 1HG ARG 14 HG3 ARG 14 -6.350 -0.716 -10.394 90 2HG ARG 14 HG2 ARG 14 -7.355 -1.268 -11.736 91 1HD ARG 14 HD2 ARG 14 -7.701 1.212 -9.958 92 2HD ARG 14 HD3 ARG 14 -7.816 1.041 -11.763 93 HE ARG 14 HE ARG 14 -9.932 -0.501 -10.486 94 1HH1 ARG 14 HH2 ARG 14 -9.140 2.824 -11.129 95 2HH1 ARG 14 HH2 ARG 14 -10.809 3.301 -11.247 96 1HH2 ARG 14 HH1 ARG 14 -12.015 0.138 -10.511 97 2HH2 ARG 14 HH1 ARG 14 -12.413 1.782 -10.879 98 H LYS 15 HN LYS 15 -5.127 -3.222 -8.541 99 HA LYS 15 HA LYS 15 -3.730 -3.853 -11.010 100 1HB LYS 15 HB2 LYS 15 -3.316 -1.865 -9.239 101 2HB LYS 15 HB3 LYS 15 -2.284 -3.053 -8.417 102 1HG LYS 15 HG3 LYS 15 -0.942 -1.727 -9.868 103 2HG LYS 15 HG2 LYS 15 -1.076 -3.302 -10.739 104 1HD LYS 15 HD3 LYS 15 -2.853 -2.225 -12.212 105 2HD LYS 15 HD2 LYS 15 -2.799 -0.777 -11.137 106 1HE LYS 15 HE3 LYS 15 -0.460 -0.300 -11.839 107 2HE LYS 15 HE2 LYS 15 -0.488 -1.743 -12.940 108 1HZ LYS 15 HZ1 LYS 15 -0.988 0.294 -14.094 109 2HZ LYS 15 HZ2 LYS 15 -2.339 -0.738 -14.103 110 3HZ LYS 15 HZ3 LYS 15 -2.307 0.611 -13.071 111 H GLU 16 HN GLU 16 -3.933 -5.027 -7.543 112 HA GLU 16 HA GLU 16 -2.191 -7.298 -8.157 113 1HB GLU 16 HB2 GLU 16 -2.081 -7.831 -5.717 114 2HB GLU 16 HB3 GLU 16 -1.554 -6.175 -6.066 115 1HG GLU 16 HG3 GLU 16 -3.907 -5.414 -5.458 116 2HG GLU 16 HG2 GLU 16 -4.285 -7.064 -4.847 117 H THR 17 HN THR 17 -5.616 -7.026 -6.882 118 HA THR 17 HA THR 17 -5.871 -9.875 -7.654 119 HB THR 17 HB THR 17 -7.704 -10.295 -6.448 120 HG1 THR 17 HG1 THR 17 -8.809 -8.889 -5.241 121 1HG2 THR 17 HG2 THR 17 -5.457 -10.144 -5.239 122 2HG2 THR 17 HG2 THR 17 -5.953 -8.521 -4.621 123 3HG2 THR 17 HG2 THR 17 -6.880 -9.962 -4.160 124 H GLY 18 HN GLY 18 -7.008 -6.604 -8.316 125 1HA GLY 18 HA1 GLY 18 -7.464 -5.952 -10.481 126 2HA GLY 18 HA2 GLY 18 -8.100 -7.542 -10.912 127 H CYS 19 HN CYS 19 -9.361 -6.779 -7.893 128 HA CYS 19 HA CYS 19 -11.683 -5.389 -9.162 129 1HB CYS 19 HB2 CYS 19 -11.776 -7.742 -7.276 130 2HB CYS 19 HB3 CYS 19 -13.171 -6.637 -7.517 131 HA PRO 20 HA PRO 20 -10.704 -2.399 -6.109 132 1HB PRO 20 HB2 PRO 20 -12.532 -0.488 -6.855 133 2HB PRO 20 HB3 PRO 20 -11.139 -0.942 -7.893 134 1HG PRO 20 HG3 PRO 20 -14.049 -1.886 -7.983 135 2HG PRO 20 HG2 PRO 20 -13.072 -1.259 -9.367 136 1HD PRO 20 HD2 PRO 20 -13.385 -3.966 -8.784 137 2HD PRO 20 HD3 PRO 20 -11.835 -3.289 -9.488 138 H TYR 21 HN TYR 21 -11.198 -3.717 -4.204 139 HA TYR 21 HA TYR 21 -13.591 -2.940 -2.728 140 1HB TYR 21 HB3 TYR 21 -12.824 -5.772 -3.762 141 2HB TYR 21 HB2 TYR 21 -13.575 -5.679 -2.176 142 HD1 TYR 21 HD1 TYR 21 -14.234 -5.273 -5.769 143 HD2 TYR 21 HD2 TYR 21 -15.890 -4.937 -1.816 144 HE1 TYR 21 HE1 TYR 21 -16.537 -5.319 -6.715 145 HE2 TYR 21 HE2 TYR 21 -18.155 -4.977 -2.738 146 HH TYR 21 HH TYR 21 -19.450 -5.204 -4.641 147 H GLY 22 HN GLY 22 -13.212 -3.601 -0.293 148 1HA GLY 22 HA1 GLY 22 -10.822 -4.838 0.538 149 2HA GLY 22 HA2 GLY 22 -10.521 -3.056 0.505 150 H LYS 23 HN LYS 23 -10.247 -4.440 2.826 151 HA LYS 23 HA LYS 23 -12.372 -3.351 4.546 152 1HB LYS 23 HB2 LYS 23 -12.662 -5.772 4.566 153 2HB LYS 23 HB3 LYS 23 -10.921 -6.023 4.939 154 1HG LYS 23 HG2 LYS 23 -12.187 -6.432 6.895 155 2HG LYS 23 HG3 LYS 23 -11.332 -4.901 7.234 156 1HD LYS 23 HD3 LYS 23 -13.464 -3.630 6.841 157 2HD LYS 23 HD2 LYS 23 -14.275 -5.159 6.351 158 1HE LYS 23 HE2 LYS 23 -13.906 -6.088 8.678 159 2HE LYS 23 HE3 LYS 23 -13.190 -4.501 9.173 160 1HZ LYS 23 HZ1 LYS 23 -15.500 -4.681 9.762 161 2HZ LYS 23 HZ2 LYS 23 -15.285 -3.453 8.609 162 3HZ LYS 23 HZ3 LYS 23 -15.951 -4.946 8.145 163 H CYS 24 HN CYS 24 -11.595 -2.079 6.126 164 HA CYS 24 HA CYS 24 -8.634 -1.805 6.367 165 1HB CYS 24 HB3 CYS 24 -10.177 0.171 5.674 166 2HB CYS 24 HB2 CYS 24 -10.614 0.321 7.372 167 H MET 25 HN MET 25 -7.590 -2.193 8.186 168 HA MET 25 HA MET 25 -9.070 -2.536 10.742 169 1HB MET 25 HB3 MET 25 -7.038 -4.520 9.482 170 2HB MET 25 HB2 MET 25 -7.643 -4.640 11.171 171 1HG MET 25 HG3 MET 25 -9.942 -5.120 10.351 172 2HG MET 25 HG2 MET 25 -9.396 -4.964 8.657 173 1HE MET 25 HE1 MET 25 -6.452 -6.529 8.649 174 2HE MET 25 HE2 MET 25 -7.221 -7.961 7.893 175 3HE MET 25 HE3 MET 25 -7.789 -6.313 7.464 176 H ASN 26 HN ASN 26 -8.230 -0.685 11.639 177 HA ASN 26 HA ASN 26 -6.841 0.776 12.478 178 1HB ASN 26 HB2 ASN 26 -6.321 -1.576 13.589 179 2HB ASN 26 HB3 ASN 26 -4.700 -1.422 12.861 180 1HD2 ASN 26 HD2 ASN 26 -3.904 1.108 13.414 181 2HD2 ASN 26 HD2 ASN 26 -4.004 1.396 15.158 182 H ARG 27 HN ARG 27 -6.584 0.725 9.610 183 HA ARG 27 HA ARG 27 -5.580 1.966 8.060 184 1HB ARG 27 HB3 ARG 27 -3.072 2.207 9.777 185 2HB ARG 27 HB2 ARG 27 -3.284 2.986 8.173 186 1HG ARG 27 HG2 ARG 27 -4.938 4.516 8.958 187 2HG ARG 27 HG3 ARG 27 -5.266 3.545 10.430 188 1HD ARG 27 HD3 ARG 27 -2.833 4.054 11.209 189 2HD ARG 27 HD2 ARG 27 -2.776 5.252 9.863 190 HE ARG 27 HE ARG 27 -4.374 6.614 10.998 191 1HH1 ARG 27 HH1 ARG 27 -4.164 3.562 12.699 192 2HH1 ARG 27 HH1 ARG 27 -4.971 4.179 14.126 193 1HH2 ARG 27 HH2 ARG 27 -5.514 7.291 12.782 194 2HH2 ARG 27 HH2 ARG 27 -5.790 6.207 14.109 195 H LYS 28 HN LYS 28 -4.693 -1.139 9.069 196 HA LYS 28 HA LYS 28 -2.736 -1.621 6.923 197 1HB LYS 28 HB3 LYS 28 -2.529 -2.605 9.239 198 2HB LYS 28 HB2 LYS 28 -3.944 -3.646 8.906 199 1HG LYS 28 HG3 LYS 28 -2.721 -4.689 6.973 200 2HG LYS 28 HG2 LYS 28 -1.295 -3.644 7.296 201 1HD LYS 28 HD3 LYS 28 -2.523 -5.634 9.304 202 2HD LYS 28 HD2 LYS 28 -1.187 -6.030 8.161 203 1HE LYS 28 HE2 LYS 28 0.243 -4.226 9.218 204 2HE LYS 28 HE3 LYS 28 -1.059 -3.942 10.444 205 1HZ LYS 28 HZ1 LYS 28 0.359 -6.510 9.948 206 2HZ LYS 28 HZ2 LYS 28 0.623 -5.439 11.240 207 3HZ LYS 28 HZ3 LYS 28 -0.864 -6.248 11.098 208 H CYS 29 HN CYS 29 -3.131 -2.631 4.910 209 HA CYS 29 HA CYS 29 -5.862 -2.928 4.103 210 1HB CYS 29 HB2 CYS 29 -3.191 -3.340 2.621 211 2HB CYS 29 HB3 CYS 29 -4.768 -3.693 1.848 212 H LYS 30 HN LYS 30 -7.041 -4.529 3.538 213 HA LYS 30 HA LYS 30 -6.024 -7.168 2.951 214 1HB LYS 30 HB3 LYS 30 -6.734 -7.201 5.348 215 2HB LYS 30 HB2 LYS 30 -8.378 -6.661 4.916 216 1HG LYS 30 HG3 LYS 30 -7.078 -9.218 3.738 217 2HG LYS 30 HG2 LYS 30 -7.783 -9.200 5.387 218 1HD LYS 30 HD2 LYS 30 -9.998 -8.584 4.567 219 2HD LYS 30 HD3 LYS 30 -9.416 -8.536 2.871 220 1HE LYS 30 HE3 LYS 30 -9.434 -11.056 4.655 221 2HE LYS 30 HE2 LYS 30 -10.621 -10.654 3.345 222 1HZ LYS 30 HZ1 LYS 30 -8.908 -12.129 2.588 223 2HZ LYS 30 HZ2 LYS 30 -8.814 -10.641 1.775 224 3HZ LYS 30 HZ3 LYS 30 -7.694 -11.014 2.997 225 H CYS 31 HN CYS 31 -6.818 -7.532 0.829 226 HA CYS 31 HA CYS 31 -8.856 -5.785 -0.227 227 1HB CYS 31 HB2 CYS 31 -6.791 -6.015 -1.432 228 2HB CYS 31 HB3 CYS 31 -6.985 -7.752 -1.682 229 H ASN 32 HN ASN 32 -10.791 -6.422 -1.119 230 HA ASN 32 HA ASN 32 -11.759 -9.191 -0.591 231 1HB ASN 32 HB2 ASN 32 -12.813 -7.523 0.970 232 2HB ASN 32 HB3 ASN 32 -13.489 -6.617 -0.418 233 1HD2 ASN 32 HD2 ASN 32 -15.170 -7.467 1.570 234 2HD2 ASN 32 HD2 ASN 32 -16.115 -8.818 0.985 235 H ARG 33 HN ARG 33 -13.986 -9.182 -2.314 236 HA ARG 33 HA ARG 33 -12.652 -8.630 -4.941 237 1HB ARG 33 HB2 ARG 33 -12.432 -11.056 -3.634 238 2HB ARG 33 HB3 ARG 33 -13.943 -11.373 -4.448 239 1HG ARG 33 HG3 ARG 33 -11.891 -12.198 -5.576 240 2HG ARG 33 HG2 ARG 33 -12.681 -11.014 -6.669 241 1HD ARG 33 HD2 ARG 33 -10.071 -10.904 -6.513 242 2HD ARG 33 HD3 ARG 33 -10.957 -9.374 -6.255 243 HE ARG 33 HE ARG 33 -10.560 -9.426 -3.882 244 1HH1 ARG 33 HH1 ARG 33 -9.124 -12.286 -5.387 245 2HH1 ARG 33 HH1 ARG 33 -8.311 -12.786 -3.929 246 1HH2 ARG 33 HH2 ARG 33 -9.519 -10.244 -1.998 247 2HH2 ARG 33 HH2 ARG 33 -8.514 -11.654 -2.115 248 H CYS 34 HN CYS 34 -13.977 -9.093 -6.810 249 HA CYS 34 HA CYS 34 -16.527 -7.814 -6.691 250 1HB CYS 34 HB2 CYS 34 -16.386 -8.590 -9.242 251 2HB CYS 34 HB3 CYS 34 -15.328 -7.307 -8.612 252 1HN NH2 35 HT1 CYS 34 -17.151 -9.758 -4.986 253 2HN NH2 35 HT2 CYS 34 -18.139 -10.986 -5.790 Start of MODEL 16 1 2H ALA 1 HN2 ALA 1 0.637 -2.389 1.848 2 H ALA 1 HN ALA 1 -0.892 -3.072 1.578 3 3H ALA 1 HN3 ALA 1 0.206 -2.909 0.277 4 HA ALA 1 HA ALA 1 0.069 -0.464 0.599 5 1HB ALA 1 HB1 ALA 1 -1.279 -1.681 -1.205 6 2HB ALA 1 HB2 ALA 1 -2.628 -1.926 -0.040 7 3HB ALA 1 HB3 ALA 1 -2.181 -0.273 -0.574 8 H SER 2 HN SER 2 -0.907 1.371 1.720 9 HA SER 2 HA SER 2 -2.301 0.710 4.194 10 1HB SER 2 HB3 SER 2 -1.405 3.110 4.821 11 2HB SER 2 HB2 SER 2 -0.290 1.718 4.786 12 HG SER 2 HG SER 2 0.173 3.841 3.561 13 H CYS 3 HN CYS 3 -3.907 2.179 4.921 14 HA CYS 3 HA CYS 3 -5.313 3.894 3.012 15 1HB CYS 3 HB2 CYS 3 -7.536 2.507 3.369 16 2HB CYS 3 HB3 CYS 3 -6.261 1.806 2.375 17 H ARG 4 HN ARG 4 -7.606 4.424 4.363 18 HA ARG 4 HA ARG 4 -6.875 5.160 7.137 19 1HB ARG 4 HB2 ARG 4 -8.547 7.018 5.261 20 2HB ARG 4 HB3 ARG 4 -8.058 7.315 6.948 21 1HG ARG 4 HG3 ARG 4 -6.292 7.232 4.445 22 2HG ARG 4 HG2 ARG 4 -6.870 8.657 5.386 23 1HD ARG 4 HD3 ARG 4 -5.490 7.826 7.385 24 2HD ARG 4 HD2 ARG 4 -4.865 6.500 6.306 25 HE ARG 4 HE ARG 4 -4.675 9.206 5.125 26 1HH1 ARG 4 HH2 ARG 4 -3.055 6.769 6.977 27 2HH1 ARG 4 HH2 ARG 4 -1.544 7.631 7.036 28 1HH2 ARG 4 HH1 ARG 4 -2.659 10.308 5.187 29 2HH2 ARG 4 HH1 ARG 4 -1.308 9.513 5.955 30 H THR 5 HN THR 5 -9.567 5.026 4.707 31 HA THR 5 HA THR 5 -11.207 3.425 6.493 32 HB THR 5 HB THR 5 -13.153 4.445 5.232 33 HG1 THR 5 HG1 THR 5 -12.552 6.548 4.291 34 1HG2 THR 5 HG2 THR 5 -13.097 6.639 6.455 35 2HG2 THR 5 HG2 THR 5 -12.434 5.336 7.499 36 3HG2 THR 5 HG2 THR 5 -11.323 6.496 6.689 37 HA PRO 6 HA PRO 6 -10.618 0.510 3.142 38 1HB PRO 6 HB2 PRO 6 -13.513 -0.287 3.007 39 2HB PRO 6 HB3 PRO 6 -12.065 -1.197 3.466 40 1HG PRO 6 HG3 PRO 6 -13.960 -0.307 5.309 41 2HG PRO 6 HG2 PRO 6 -12.206 -0.350 5.732 42 1HD PRO 6 HD3 PRO 6 -13.787 2.054 4.739 43 2HD PRO 6 HD2 PRO 6 -12.675 1.890 6.179 44 H LYS 7 HN LYS 7 -12.629 3.188 2.411 45 HA LYS 7 HA LYS 7 -13.196 2.817 -0.358 46 1HB LYS 7 HB3 LYS 7 -14.515 4.300 1.258 47 2HB LYS 7 HB2 LYS 7 -13.126 5.438 1.284 48 1HG LYS 7 HG3 LYS 7 -14.814 6.304 -0.133 49 2HG LYS 7 HG2 LYS 7 -13.511 5.771 -1.240 50 1HD LYS 7 HD3 LYS 7 -14.837 3.666 -1.722 51 2HD LYS 7 HD2 LYS 7 -16.112 4.231 -0.586 52 1HE LYS 7 HE3 LYS 7 -16.513 6.248 -2.053 53 2HE LYS 7 HE2 LYS 7 -15.268 5.634 -3.218 54 1HZ LYS 7 HZ1 LYS 7 -17.756 4.225 -2.394 55 2HZ LYS 7 HZ2 LYS 7 -17.489 5.038 -3.862 56 3HZ LYS 7 HZ3 LYS 7 -16.593 3.645 -3.487 57 H ASP 8 HN ASP 8 -10.201 3.560 1.296 58 HA ASP 8 HA ASP 8 -9.049 5.009 -0.975 59 1HB ASP 8 HB3 ASP 8 -7.879 4.375 1.807 60 2HB ASP 8 HB2 ASP 8 -7.158 5.466 0.563 61 H CYS 9 HN CYS 9 -9.421 1.669 -0.237 62 HA CYS 9 HA CYS 9 -6.729 1.075 -1.361 63 1HB CYS 9 HB3 CYS 9 -7.497 0.253 1.026 64 2HB CYS 9 HB2 CYS 9 -8.326 -1.026 0.163 65 H ALA 10 HN ALA 10 -9.579 1.542 -2.564 66 HA ALA 10 HA ALA 10 -10.274 -0.704 -4.044 67 1HB ALA 10 HB1 ALA 10 -11.007 2.258 -4.422 68 2HB ALA 10 HB2 ALA 10 -11.890 0.866 -5.153 69 3HB ALA 10 HB3 ALA 10 -11.836 1.058 -3.373 70 H ASP 11 HN ASP 11 -8.498 2.249 -5.067 71 HA ASP 11 HA ASP 11 -7.857 1.228 -7.692 72 1HB ASP 11 HB2 ASP 11 -6.853 3.793 -6.330 73 2HB ASP 11 HB3 ASP 11 -6.668 3.346 -8.072 74 HA PRO 12 HA PRO 12 -3.540 0.268 -5.708 75 1HB PRO 12 HB3 PRO 12 -4.368 -0.087 -2.767 76 2HB PRO 12 HB2 PRO 12 -2.802 0.494 -3.458 77 1HG PRO 12 HG2 PRO 12 -4.752 2.051 -2.303 78 2HG PRO 12 HG3 PRO 12 -3.739 2.708 -3.677 79 1HD PRO 12 HD2 PRO 12 -6.599 1.680 -3.716 80 2HD PRO 12 HD3 PRO 12 -5.823 3.016 -4.669 81 H CYS 13 HN CYS 13 -6.631 -1.231 -4.340 82 HA CYS 13 HA CYS 13 -5.426 -3.820 -4.481 83 1HB CYS 13 HB3 CYS 13 -7.678 -3.186 -3.059 84 2HB CYS 13 HB2 CYS 13 -8.439 -3.831 -4.491 85 H ARG 14 HN ARG 14 -7.344 -1.932 -6.870 86 HA ARG 14 HA ARG 14 -7.964 -3.858 -8.789 87 1HB ARG 14 HB3 ARG 14 -8.774 -1.422 -8.676 88 2HB ARG 14 HB2 ARG 14 -7.112 -0.908 -9.013 89 1HG ARG 14 HG3 ARG 14 -8.338 -0.553 -10.931 90 2HG ARG 14 HG2 ARG 14 -7.191 -1.896 -11.280 91 1HD ARG 14 HD2 ARG 14 -9.314 -2.391 -12.407 92 2HD ARG 14 HD3 ARG 14 -9.264 -3.510 -11.033 93 HE ARG 14 HE ARG 14 -11.134 -2.326 -10.061 94 1HH1 ARG 14 HH2 ARG 14 -9.896 -0.544 -12.716 95 2HH1 ARG 14 HH2 ARG 14 -11.375 0.334 -13.003 96 1HH2 ARG 14 HH1 ARG 14 -13.005 -1.046 -10.320 97 2HH2 ARG 14 HH1 ARG 14 -13.083 0.061 -11.656 98 H LYS 15 HN LYS 15 -4.768 -2.663 -8.034 99 HA LYS 15 HA LYS 15 -3.626 -3.499 -10.536 100 1HB LYS 15 HB2 LYS 15 -3.037 -1.396 -9.282 101 2HB LYS 15 HB3 LYS 15 -2.339 -2.368 -7.960 102 1HG LYS 15 HG3 LYS 15 -0.595 -3.239 -9.575 103 2HG LYS 15 HG2 LYS 15 -1.369 -2.300 -10.910 104 1HD LYS 15 HD3 LYS 15 -0.944 -0.193 -9.546 105 2HD LYS 15 HD2 LYS 15 -0.140 -1.233 -8.312 106 1HE LYS 15 HE3 LYS 15 1.622 -1.878 -9.972 107 2HE LYS 15 HE2 LYS 15 0.801 -0.883 -11.244 108 1HZ LYS 15 HZ1 LYS 15 1.917 0.125 -8.677 109 2HZ LYS 15 HZ2 LYS 15 2.616 0.280 -10.218 110 3HZ LYS 15 HZ3 LYS 15 1.146 1.056 -9.870 111 H GLU 16 HN GLU 16 -4.105 -4.833 -7.288 112 HA GLU 16 HA GLU 16 -2.248 -7.075 -7.757 113 1HB GLU 16 HB3 GLU 16 -2.217 -7.635 -5.364 114 2HB GLU 16 HB2 GLU 16 -1.722 -5.940 -5.632 115 1HG GLU 16 HG2 GLU 16 -4.092 -5.268 -5.046 116 2HG GLU 16 HG3 GLU 16 -4.445 -6.956 -4.539 117 H THR 17 HN THR 17 -5.810 -6.675 -6.820 118 HA THR 17 HA THR 17 -6.104 -9.559 -7.408 119 HB THR 17 HB THR 17 -8.391 -9.361 -6.562 120 HG1 THR 17 HG1 THR 17 -8.468 -7.146 -5.290 121 1HG2 THR 17 HG2 THR 17 -6.570 -9.909 -5.007 122 2HG2 THR 17 HG2 THR 17 -6.223 -8.171 -4.728 123 3HG2 THR 17 HG2 THR 17 -7.781 -8.870 -4.200 124 H GLY 18 HN GLY 18 -7.338 -6.478 -8.241 125 1HA GLY 18 HA1 GLY 18 -7.856 -5.584 -10.348 126 2HA GLY 18 HA2 GLY 18 -8.358 -7.178 -10.928 127 H CYS 19 HN CYS 19 -9.430 -6.817 -7.732 128 HA CYS 19 HA CYS 19 -12.067 -5.723 -8.635 129 1HB CYS 19 HB2 CYS 19 -11.380 -7.795 -6.511 130 2HB CYS 19 HB3 CYS 19 -13.001 -7.059 -6.683 131 HA PRO 20 HA PRO 20 -10.893 -2.506 -5.745 132 1HB PRO 20 HB2 PRO 20 -13.104 -0.868 -6.201 133 2HB PRO 20 HB3 PRO 20 -11.790 -1.082 -7.409 134 1HG PRO 20 HG2 PRO 20 -14.508 -2.511 -7.083 135 2HG PRO 20 HG3 PRO 20 -13.904 -1.669 -8.569 136 1HD PRO 20 HD3 PRO 20 -13.641 -4.387 -8.223 137 2HD PRO 20 HD2 PRO 20 -12.299 -3.435 -8.974 138 H TYR 21 HN TYR 21 -11.829 -4.820 -4.524 139 HA TYR 21 HA TYR 21 -13.959 -4.103 -2.557 140 1HB TYR 21 HB3 TYR 21 -13.181 -6.807 -3.914 141 2HB TYR 21 HB2 TYR 21 -14.102 -6.766 -2.425 142 HD1 TYR 21 HD1 TYR 21 -16.411 -6.560 -2.414 143 HD2 TYR 21 HD2 TYR 21 -14.190 -5.281 -5.845 144 HE1 TYR 21 HE1 TYR 21 -18.482 -6.155 -3.553 145 HE2 TYR 21 HE2 TYR 21 -16.316 -4.820 -7.057 146 HH TYR 21 HH TYR 21 -19.455 -5.144 -5.420 147 H GLY 22 HN GLY 22 -12.932 -3.465 -0.643 148 1HA GLY 22 HA1 GLY 22 -11.205 -5.470 0.590 149 2HA GLY 22 HA2 GLY 22 -10.399 -3.874 0.165 150 H LYS 23 HN LYS 23 -10.299 -4.826 2.678 151 HA LYS 23 HA LYS 23 -12.088 -3.087 4.249 152 1HB LYS 23 HB2 LYS 23 -12.565 -5.539 4.378 153 2HB LYS 23 HB3 LYS 23 -10.907 -5.851 5.002 154 1HG LYS 23 HG2 LYS 23 -11.495 -4.646 7.096 155 2HG LYS 23 HG3 LYS 23 -13.084 -4.161 6.404 156 1HD LYS 23 HD2 LYS 23 -13.794 -6.509 6.184 157 2HD LYS 23 HD3 LYS 23 -12.168 -7.089 6.666 158 1HE LYS 23 HE3 LYS 23 -13.717 -7.409 8.513 159 2HE LYS 23 HE2 LYS 23 -12.536 -6.122 8.981 160 1HZ LYS 23 HZ1 LYS 23 -14.195 -4.481 8.389 161 2HZ LYS 23 HZ2 LYS 23 -15.297 -5.699 7.958 162 3HZ LYS 23 HZ3 LYS 23 -14.779 -5.555 9.568 163 H CYS 24 HN CYS 24 -11.153 -1.927 5.743 164 HA CYS 24 HA CYS 24 -8.170 -1.908 5.939 165 1HB CYS 24 HB2 CYS 24 -9.165 -0.107 4.542 166 2HB CYS 24 HB3 CYS 24 -10.087 0.463 5.939 167 H MET 25 HN MET 25 -7.465 -2.374 7.897 168 HA MET 25 HA MET 25 -8.917 -1.454 10.294 169 1HB MET 25 HB2 MET 25 -7.824 -4.347 10.009 170 2HB MET 25 HB3 MET 25 -8.548 -3.601 11.467 171 1HG MET 25 HG2 MET 25 -10.760 -3.415 10.037 172 2HG MET 25 HG3 MET 25 -9.933 -4.465 8.858 173 1HE MET 25 HE1 MET 25 -10.223 -4.180 12.858 174 2HE MET 25 HE2 MET 25 -11.834 -3.993 12.082 175 3HE MET 25 HE3 MET 25 -11.490 -5.420 13.115 176 H ASN 26 HN ASN 26 -7.553 -0.411 11.562 177 HA ASN 26 HA ASN 26 -5.755 0.631 12.264 178 1HB ASN 26 HB3 ASN 26 -5.252 -1.984 13.005 179 2HB ASN 26 HB2 ASN 26 -3.810 -1.736 12.000 180 1HD2 ASN 26 HD2 ASN 26 -2.871 0.732 12.627 181 2HD2 ASN 26 HD2 ASN 26 -2.784 1.016 14.355 182 H ARG 27 HN ARG 27 -6.114 0.925 9.412 183 HA ARG 27 HA ARG 27 -5.215 2.188 7.797 184 1HB ARG 27 HB2 ARG 27 -2.455 1.979 8.888 185 2HB ARG 27 HB3 ARG 27 -3.006 3.105 7.609 186 1HG ARG 27 HG2 ARG 27 -4.429 4.331 9.232 187 2HG ARG 27 HG3 ARG 27 -3.928 3.219 10.540 188 1HD ARG 27 HD3 ARG 27 -2.111 5.262 9.136 189 2HD ARG 27 HD2 ARG 27 -2.736 5.194 10.856 190 HE ARG 27 HE ARG 27 -1.274 2.760 10.234 191 1HH1 ARG 27 HH1 ARG 27 -0.741 6.094 10.955 192 2HH1 ARG 27 HH1 ARG 27 0.653 5.769 11.961 193 1HH2 ARG 27 HH2 ARG 27 0.626 2.382 11.426 194 2HH2 ARG 27 HH2 ARG 27 1.539 3.739 12.004 195 H LYS 28 HN LYS 28 -4.770 -1.059 8.240 196 HA LYS 28 HA LYS 28 -3.072 -1.462 5.844 197 1HB LYS 28 HB2 LYS 28 -3.709 -3.372 8.211 198 2HB LYS 28 HB3 LYS 28 -2.837 -3.870 6.754 199 1HG LYS 28 HG3 LYS 28 -1.867 -1.759 8.746 200 2HG LYS 28 HG2 LYS 28 -1.318 -3.453 8.578 201 1HD LYS 28 HD3 LYS 28 -0.925 -1.136 6.567 202 2HD LYS 28 HD2 LYS 28 0.310 -1.988 7.546 203 1HE LYS 28 HE2 LYS 28 -0.099 -4.100 6.204 204 2HE LYS 28 HE3 LYS 28 -1.316 -3.211 5.197 205 1HZ LYS 28 HZ1 LYS 28 0.809 -3.292 4.145 206 2HZ LYS 28 HZ2 LYS 28 0.397 -1.690 4.524 207 3HZ LYS 28 HZ3 LYS 28 1.554 -2.511 5.456 208 H CYS 29 HN CYS 29 -3.678 -2.626 4.056 209 HA CYS 29 HA CYS 29 -6.513 -3.135 3.760 210 1HB CYS 29 HB2 CYS 29 -4.341 -3.509 1.633 211 2HB CYS 29 HB3 CYS 29 -6.121 -3.466 1.407 212 H LYS 30 HN LYS 30 -7.532 -4.922 3.798 213 HA LYS 30 HA LYS 30 -6.312 -7.552 3.241 214 1HB LYS 30 HB2 LYS 30 -8.853 -6.872 4.899 215 2HB LYS 30 HB3 LYS 30 -8.174 -8.519 4.593 216 1HG LYS 30 HG2 LYS 30 -6.113 -7.788 5.893 217 2HG LYS 30 HG3 LYS 30 -6.966 -6.279 6.345 218 1HD LYS 30 HD2 LYS 30 -7.908 -9.172 6.909 219 2HD LYS 30 HD3 LYS 30 -7.111 -8.091 8.101 220 1HE LYS 30 HE2 LYS 30 -9.072 -6.519 7.994 221 2HE LYS 30 HE3 LYS 30 -9.879 -7.591 6.779 222 1HZ LYS 30 HZ1 LYS 30 -9.116 -8.364 9.540 223 2HZ LYS 30 HZ2 LYS 30 -10.676 -7.989 8.980 224 3HZ LYS 30 HZ3 LYS 30 -9.866 -9.362 8.387 225 H CYS 31 HN CYS 31 -7.075 -8.156 1.058 226 HA CYS 31 HA CYS 31 -9.258 -6.546 -0.008 227 1HB CYS 31 HB2 CYS 31 -7.061 -6.532 -0.965 228 2HB CYS 31 HB3 CYS 31 -7.222 -8.163 -1.622 229 H ASN 32 HN ASN 32 -11.042 -7.326 -1.214 230 HA ASN 32 HA ASN 32 -11.874 -10.133 -0.724 231 1HB ASN 32 HB3 ASN 32 -13.870 -7.715 -0.773 232 2HB ASN 32 HB2 ASN 32 -14.180 -9.414 -0.275 233 1HD2 ASN 32 HD2 ASN 32 -12.447 -10.031 1.687 234 2HD2 ASN 32 HD2 ASN 32 -12.477 -8.773 2.903 235 H ARG 33 HN ARG 33 -14.109 -10.232 -2.634 236 HA ARG 33 HA ARG 33 -12.690 -9.436 -5.084 237 1HB ARG 33 HB2 ARG 33 -12.205 -11.856 -3.891 238 2HB ARG 33 HB3 ARG 33 -13.637 -12.348 -4.760 239 1HG ARG 33 HG2 ARG 33 -11.503 -12.861 -5.871 240 2HG ARG 33 HG3 ARG 33 -12.407 -11.738 -6.939 241 1HD ARG 33 HD3 ARG 33 -9.826 -11.350 -6.703 242 2HD ARG 33 HD2 ARG 33 -10.873 -9.925 -6.454 243 HE ARG 33 HE ARG 33 -10.468 -9.908 -4.100 244 1HH1 ARG 33 HH1 ARG 33 -8.913 -12.719 -5.488 245 2HH1 ARG 33 HH1 ARG 33 -7.892 -13.010 -4.108 246 1HH2 ARG 33 HH2 ARG 33 -9.353 -10.341 -2.349 247 2HH2 ARG 33 HH2 ARG 33 -8.145 -11.595 -2.286 248 H CYS 34 HN CYS 34 -13.720 -9.505 -6.996 249 HA CYS 34 HA CYS 34 -16.652 -9.618 -7.039 250 1HB CYS 34 HB2 CYS 34 -16.578 -8.095 -8.909 251 2HB CYS 34 HB3 CYS 34 -15.771 -7.384 -7.502 252 1HN NH2 35 HT1 CYS 34 -14.744 -11.987 -7.261 253 2HN NH2 35 HT2 CYS 34 -15.063 -12.603 -8.872 Start of MODEL 17 1 2H ALA 1 HN2 ALA 1 -0.836 -4.515 1.276 2 H ALA 1 HN ALA 1 -0.933 -3.985 2.906 3 3H ALA 1 HN3 ALA 1 -2.339 -4.121 1.999 4 HA ALA 1 HA ALA 1 -0.120 -2.205 1.484 5 1HB ALA 1 HB1 ALA 1 -2.921 -2.418 0.115 6 2HB ALA 1 HB2 ALA 1 -1.665 -1.195 -0.274 7 3HB ALA 1 HB3 ALA 1 -1.366 -2.912 -0.633 8 H SER 2 HN SER 2 -0.975 0.213 1.833 9 HA SER 2 HA SER 2 -2.413 0.221 4.391 10 1HB SER 2 HB2 SER 2 -0.494 2.317 3.230 11 2HB SER 2 HB3 SER 2 -1.271 2.343 4.867 12 HG SER 2 HG SER 2 0.669 1.477 5.165 13 H CYS 3 HN CYS 3 -4.041 1.704 4.847 14 HA CYS 3 HA CYS 3 -5.177 3.443 2.762 15 1HB CYS 3 HB2 CYS 3 -7.539 2.385 3.178 16 2HB CYS 3 HB3 CYS 3 -6.327 1.404 2.358 17 H ARG 4 HN ARG 4 -7.456 4.353 4.084 18 HA ARG 4 HA ARG 4 -6.730 5.195 6.774 19 1HB ARG 4 HB3 ARG 4 -7.930 7.082 4.581 20 2HB ARG 4 HB2 ARG 4 -7.615 7.398 6.300 21 1HG ARG 4 HG3 ARG 4 -5.907 8.467 5.233 22 2HG ARG 4 HG2 ARG 4 -5.144 6.915 5.749 23 1HD ARG 4 HD3 ARG 4 -5.326 6.155 3.241 24 2HD ARG 4 HD2 ARG 4 -6.008 7.776 2.899 25 HE ARG 4 HE ARG 4 -3.846 8.683 3.049 26 1HH1 ARG 4 HH2 ARG 4 -3.612 5.511 4.662 27 2HH1 ARG 4 HH2 ARG 4 -1.880 5.622 4.717 28 1HH2 ARG 4 HH1 ARG 4 -1.668 8.598 3.030 29 2HH2 ARG 4 HH1 ARG 4 -0.853 7.310 3.863 30 H THR 5 HN THR 5 -9.291 5.446 4.231 31 HA THR 5 HA THR 5 -11.231 4.065 5.948 32 HB THR 5 HB THR 5 -12.979 5.131 4.522 33 HG1 THR 5 HG1 THR 5 -12.380 6.894 3.303 34 1HG2 THR 5 HG2 THR 5 -12.793 7.390 5.590 35 2HG2 THR 5 HG2 THR 5 -12.301 6.120 6.765 36 3HG2 THR 5 HG2 THR 5 -11.054 7.123 5.934 37 HA PRO 6 HA PRO 6 -10.598 0.812 3.038 38 1HB PRO 6 HB2 PRO 6 -13.575 0.176 2.908 39 2HB PRO 6 HB3 PRO 6 -12.199 -0.844 3.395 40 1HG PRO 6 HG2 PRO 6 -13.937 0.288 5.236 41 2HG PRO 6 HG3 PRO 6 -12.155 0.247 5.567 42 1HD PRO 6 HD3 PRO 6 -13.728 2.620 4.474 43 2HD PRO 6 HD2 PRO 6 -12.528 2.471 5.855 44 H LYS 7 HN LYS 7 -12.459 3.421 1.683 45 HA LYS 7 HA LYS 7 -12.693 2.406 -0.992 46 1HB LYS 7 HB3 LYS 7 -12.801 5.371 -0.195 47 2HB LYS 7 HB2 LYS 7 -13.487 4.550 -1.628 48 1HG LYS 7 HG3 LYS 7 -15.412 4.769 -0.442 49 2HG LYS 7 HG2 LYS 7 -14.893 3.171 0.179 50 1HD LYS 7 HD3 LYS 7 -15.672 4.541 2.043 51 2HD LYS 7 HD2 LYS 7 -13.896 4.447 2.223 52 1HE LYS 7 HE3 LYS 7 -13.747 6.781 1.120 53 2HE LYS 7 HE2 LYS 7 -15.555 6.821 1.120 54 1HZ LYS 7 HZ1 LYS 7 -13.785 6.518 3.498 55 2HZ LYS 7 HZ2 LYS 7 -14.605 7.926 3.016 56 3HZ LYS 7 HZ3 LYS 7 -15.484 6.562 3.518 57 H ASP 8 HN ASP 8 -10.040 3.779 0.880 58 HA ASP 8 HA ASP 8 -8.483 4.727 -1.344 59 1HB ASP 8 HB3 ASP 8 -7.770 4.203 1.614 60 2HB ASP 8 HB2 ASP 8 -6.670 4.977 0.414 61 H CYS 9 HN CYS 9 -9.281 1.517 -0.347 62 HA CYS 9 HA CYS 9 -6.656 0.483 -1.229 63 1HB CYS 9 HB2 CYS 9 -8.166 -0.647 0.887 64 2HB CYS 9 HB3 CYS 9 -8.789 -1.533 -0.481 65 H ALA 10 HN ALA 10 -9.640 1.468 -2.617 66 HA ALA 10 HA ALA 10 -10.072 -0.455 -4.546 67 1HB ALA 10 HB1 ALA 10 -11.739 1.241 -3.845 68 2HB ALA 10 HB2 ALA 10 -10.755 2.546 -4.579 69 3HB ALA 10 HB3 ALA 10 -11.504 1.278 -5.630 70 H ASP 11 HN ASP 11 -7.789 2.238 -4.551 71 HA ASP 11 HA ASP 11 -7.059 1.998 -7.325 72 1HB ASP 11 HB2 ASP 11 -5.675 3.605 -5.101 73 2HB ASP 11 HB3 ASP 11 -5.433 3.781 -6.879 74 HA PRO 12 HA PRO 12 -3.242 -0.558 -5.850 75 1HB PRO 12 HB3 PRO 12 -3.316 -1.596 -3.145 76 2HB PRO 12 HB2 PRO 12 -2.423 -0.126 -3.675 77 1HG PRO 12 HG3 PRO 12 -5.184 -0.435 -2.482 78 2HG PRO 12 HG2 PRO 12 -3.924 0.756 -1.981 79 1HD PRO 12 HD3 PRO 12 -6.009 1.486 -3.579 80 2HD PRO 12 HD2 PRO 12 -4.342 2.116 -3.919 81 H CYS 13 HN CYS 13 -6.491 -1.434 -4.435 82 HA CYS 13 HA CYS 13 -6.129 -4.213 -5.080 83 1HB CYS 13 HB2 CYS 13 -7.354 -3.502 -3.043 84 2HB CYS 13 HB3 CYS 13 -8.717 -3.028 -4.086 85 H ARG 14 HN ARG 14 -7.334 -1.481 -6.973 86 HA ARG 14 HA ARG 14 -8.488 -3.090 -9.095 87 1HB ARG 14 HB3 ARG 14 -9.155 -0.684 -8.991 88 2HB ARG 14 HB2 ARG 14 -7.449 -0.194 -8.906 89 1HG ARG 14 HG2 ARG 14 -8.328 0.475 -10.987 90 2HG ARG 14 HG3 ARG 14 -7.036 -0.743 -11.219 91 1HD ARG 14 HD3 ARG 14 -8.531 -1.254 -12.865 92 2HD ARG 14 HD2 ARG 14 -8.975 -2.514 -11.651 93 HE ARG 14 HE ARG 14 -10.819 -0.762 -10.917 94 1HH1 ARG 14 HH1 ARG 14 -9.843 -1.427 -14.166 95 2HH1 ARG 14 HH1 ARG 14 -11.296 -0.792 -14.901 96 1HH2 ARG 14 HH2 ARG 14 -12.722 -0.029 -11.848 97 2HH2 ARG 14 HH2 ARG 14 -12.927 -0.030 -13.577 98 H LYS 15 HN LYS 15 -5.266 -2.565 -8.080 99 HA LYS 15 HA LYS 15 -4.184 -3.340 -10.670 100 1HB LYS 15 HB2 LYS 15 -3.408 -1.324 -9.277 101 2HB LYS 15 HB3 LYS 15 -2.611 -2.468 -8.174 102 1HG LYS 15 HG3 LYS 15 -1.009 -1.599 -9.752 103 2HG LYS 15 HG2 LYS 15 -1.291 -3.300 -10.288 104 1HD LYS 15 HD3 LYS 15 -2.846 -2.364 -12.084 105 2HD LYS 15 HD2 LYS 15 -2.608 -0.726 -11.359 106 1HE LYS 15 HE3 LYS 15 -0.207 -0.766 -12.006 107 2HE LYS 15 HE2 LYS 15 -0.413 -2.420 -12.719 108 1HZ LYS 15 HZ1 LYS 15 -1.869 0.042 -13.537 109 2HZ LYS 15 HZ2 LYS 15 -0.581 -0.697 -14.363 110 3HZ LYS 15 HZ3 LYS 15 -2.065 -1.508 -14.205 111 H GLU 16 HN GLU 16 -4.146 -4.463 -7.197 112 HA GLU 16 HA GLU 16 -2.614 -6.849 -7.913 113 1HB GLU 16 HB2 GLU 16 -2.401 -7.427 -5.513 114 2HB GLU 16 HB3 GLU 16 -1.893 -5.748 -5.796 115 1HG GLU 16 HG2 GLU 16 -4.351 -5.135 -5.176 116 2HG GLU 16 HG3 GLU 16 -4.521 -6.800 -4.546 117 H THR 17 HN THR 17 -6.058 -6.326 -6.902 118 HA THR 17 HA THR 17 -6.430 -9.196 -7.591 119 HB THR 17 HB THR 17 -8.249 -9.603 -6.397 120 HG1 THR 17 HG1 THR 17 -9.435 -8.068 -5.201 121 1HG2 THR 17 HG2 THR 17 -6.679 -7.662 -4.567 122 2HG2 THR 17 HG2 THR 17 -7.593 -9.118 -4.070 123 3HG2 THR 17 HG2 THR 17 -6.085 -9.298 -5.038 124 H GLY 18 HN GLY 18 -7.663 -5.889 -8.102 125 1HA GLY 18 HA1 GLY 18 -7.972 -5.180 -10.325 126 2HA GLY 18 HA2 GLY 18 -8.863 -6.664 -10.694 127 H CYS 19 HN CYS 19 -9.890 -6.147 -7.655 128 HA CYS 19 HA CYS 19 -11.978 -4.195 -8.461 129 1HB CYS 19 HB3 CYS 19 -13.374 -6.387 -7.083 130 2HB CYS 19 HB2 CYS 19 -13.624 -5.670 -8.696 131 HA PRO 20 HA PRO 20 -11.583 -2.688 -4.484 132 1HB PRO 20 HB2 PRO 20 -13.708 -0.994 -4.402 133 2HB PRO 20 HB3 PRO 20 -12.592 -0.892 -5.784 134 1HG PRO 20 HG3 PRO 20 -15.238 -2.435 -5.669 135 2HG PRO 20 HG2 PRO 20 -14.737 -1.166 -6.873 136 1HD PRO 20 HD2 PRO 20 -14.358 -3.893 -7.283 137 2HD PRO 20 HD3 PRO 20 -13.202 -2.642 -7.926 138 H TYR 21 HN TYR 21 -12.250 -5.350 -3.871 139 HA TYR 21 HA TYR 21 -14.449 -5.094 -1.851 140 1HB TYR 21 HB3 TYR 21 -13.245 -7.656 -3.211 141 2HB TYR 21 HB2 TYR 21 -14.032 -7.670 -1.618 142 HD1 TYR 21 HD1 TYR 21 -14.829 -6.180 -5.025 143 HD2 TYR 21 HD2 TYR 21 -16.154 -8.435 -1.589 144 HE1 TYR 21 HE1 TYR 21 -17.025 -6.587 -6.099 145 HE2 TYR 21 HE2 TYR 21 -18.239 -8.893 -2.667 146 HH TYR 21 HH TYR 21 -19.483 -8.692 -4.580 147 H GLY 22 HN GLY 22 -12.875 -3.606 -0.580 148 1HA GLY 22 HA1 GLY 22 -11.058 -5.381 1.020 149 2HA GLY 22 HA2 GLY 22 -10.473 -3.792 0.402 150 H LYS 23 HN LYS 23 -10.564 -4.784 3.175 151 HA LYS 23 HA LYS 23 -12.347 -2.788 4.399 152 1HB LYS 23 HB2 LYS 23 -12.844 -5.195 4.935 153 2HB LYS 23 HB3 LYS 23 -11.203 -5.402 5.600 154 1HG LYS 23 HG2 LYS 23 -12.707 -5.175 7.416 155 2HG LYS 23 HG3 LYS 23 -11.880 -3.590 7.385 156 1HD LYS 23 HD3 LYS 23 -13.870 -2.586 6.244 157 2HD LYS 23 HD2 LYS 23 -14.634 -4.201 6.111 158 1HE LYS 23 HE2 LYS 23 -14.010 -2.819 8.816 159 2HE LYS 23 HE3 LYS 23 -15.602 -2.751 7.959 160 1HZ LYS 23 HZ1 LYS 23 -15.559 -4.453 9.626 161 2HZ LYS 23 HZ2 LYS 23 -15.732 -5.138 8.081 162 3HZ LYS 23 HZ3 LYS 23 -14.238 -5.223 8.884 163 H CYS 24 HN CYS 24 -11.408 -1.438 5.813 164 HA CYS 24 HA CYS 24 -8.440 -1.429 6.072 165 1HB CYS 24 HB3 CYS 24 -9.885 0.617 5.106 166 2HB CYS 24 HB2 CYS 24 -10.101 1.046 6.794 167 H MET 25 HN MET 25 -7.579 -1.985 7.968 168 HA MET 25 HA MET 25 -9.083 -1.423 10.486 169 1HB MET 25 HB3 MET 25 -7.639 -4.068 9.792 170 2HB MET 25 HB2 MET 25 -8.299 -3.664 11.418 171 1HG MET 25 HG2 MET 25 -10.640 -3.656 10.414 172 2HG MET 25 HG3 MET 25 -9.924 -4.210 8.876 173 1HE MET 25 HE1 MET 25 -8.318 -7.685 9.909 174 2HE MET 25 HE2 MET 25 -8.243 -6.270 8.796 175 3HE MET 25 HE3 MET 25 -7.468 -6.192 10.417 176 H ASN 26 HN ASN 26 -7.820 -0.066 11.578 177 HA ASN 26 HA ASN 26 -6.070 1.073 12.314 178 1HB ASN 26 HB3 ASN 26 -5.590 -1.475 13.248 179 2HB ASN 26 HB2 ASN 26 -4.144 -1.341 12.231 180 1HD2 ASN 26 HD2 ASN 26 -2.891 0.889 12.766 181 2HD2 ASN 26 HD2 ASN 26 -2.806 1.216 14.495 182 H ARG 27 HN ARG 27 -6.332 1.301 9.505 183 HA ARG 27 HA ARG 27 -5.479 2.323 7.769 184 1HB ARG 27 HB3 ARG 27 -2.799 2.480 9.212 185 2HB ARG 27 HB2 ARG 27 -3.125 3.189 7.604 186 1HG ARG 27 HG2 ARG 27 -3.966 5.037 8.435 187 2HG ARG 27 HG3 ARG 27 -5.240 4.137 9.311 188 1HD ARG 27 HD2 ARG 27 -3.974 5.567 10.888 189 2HD ARG 27 HD3 ARG 27 -3.755 3.795 11.243 190 HE ARG 27 HE ARG 27 -1.706 4.945 9.412 191 1HH1 ARG 27 HH1 ARG 27 -2.501 4.725 12.825 192 2HH1 ARG 27 HH1 ARG 27 -0.876 4.341 13.289 193 1HH2 ARG 27 HH2 ARG 27 0.367 4.381 10.106 194 2HH2 ARG 27 HH2 ARG 27 0.734 4.309 11.800 195 H LYS 28 HN LYS 28 -4.984 -0.809 8.458 196 HA LYS 28 HA LYS 28 -3.208 -1.447 6.201 197 1HB LYS 28 HB3 LYS 28 -2.876 -2.207 8.680 198 2HB LYS 28 HB2 LYS 28 -4.252 -3.304 8.435 199 1HG LYS 28 HG3 LYS 28 -2.482 -4.640 8.195 200 2HG LYS 28 HG2 LYS 28 -2.826 -4.363 6.469 201 1HD LYS 28 HD2 LYS 28 -0.760 -2.700 8.112 202 2HD LYS 28 HD3 LYS 28 -0.358 -4.329 7.507 203 1HE LYS 28 HE3 LYS 28 -1.194 -2.040 5.621 204 2HE LYS 28 HE2 LYS 28 0.502 -2.514 6.010 205 1HZ LYS 28 HZ1 LYS 28 -0.279 -3.558 3.995 206 2HZ LYS 28 HZ2 LYS 28 0.055 -4.724 5.184 207 3HZ LYS 28 HZ3 LYS 28 -1.553 -4.314 4.823 208 H CYS 29 HN CYS 29 -3.867 -2.524 4.351 209 HA CYS 29 HA CYS 29 -6.713 -3.219 4.083 210 1HB CYS 29 HB2 CYS 29 -4.486 -3.456 1.922 211 2HB CYS 29 HB3 CYS 29 -6.256 -3.696 1.709 212 H LYS 30 HN LYS 30 -7.496 -5.187 4.039 213 HA LYS 30 HA LYS 30 -5.884 -7.425 3.021 214 1HB LYS 30 HB3 LYS 30 -7.302 -8.997 4.293 215 2HB LYS 30 HB2 LYS 30 -6.334 -7.923 5.353 216 1HG LYS 30 HG3 LYS 30 -8.361 -6.450 5.716 217 2HG LYS 30 HG2 LYS 30 -9.355 -7.677 4.860 218 1HD LYS 30 HD2 LYS 30 -7.625 -8.135 7.374 219 2HD LYS 30 HD3 LYS 30 -9.405 -7.899 7.372 220 1HE LYS 30 HE3 LYS 30 -9.717 -10.032 6.097 221 2HE LYS 30 HE2 LYS 30 -7.925 -10.302 6.101 222 1HZ LYS 30 HZ1 LYS 30 -9.658 -10.055 8.498 223 2HZ LYS 30 HZ2 LYS 30 -9.010 -11.486 7.852 224 3HZ LYS 30 HZ3 LYS 30 -7.977 -10.301 8.494 225 H CYS 31 HN CYS 31 -6.773 -8.045 0.990 226 HA CYS 31 HA CYS 31 -9.378 -6.848 0.272 227 1HB CYS 31 HB2 CYS 31 -7.142 -5.823 -0.785 228 2HB CYS 31 HB3 CYS 31 -7.230 -7.224 -1.867 229 H ASN 32 HN ASN 32 -10.398 -7.812 -1.653 230 HA ASN 32 HA ASN 32 -10.121 -10.742 -1.816 231 1HB ASN 32 HB2 ASN 32 -11.850 -10.106 -0.063 232 2HB ASN 32 HB3 ASN 32 -12.746 -9.137 -1.284 233 1HD2 ASN 32 HD2 ASN 32 -14.633 -10.646 -0.711 234 2HD2 ASN 32 HD2 ASN 32 -14.657 -12.091 -1.706 235 H ARG 33 HN ARG 33 -12.008 -11.265 -3.595 236 HA ARG 33 HA ARG 33 -11.332 -9.809 -6.089 237 1HB ARG 33 HB2 ARG 33 -11.889 -12.105 -7.155 238 2HB ARG 33 HB3 ARG 33 -10.514 -12.005 -6.077 239 1HG ARG 33 HG2 ARG 33 -11.451 -14.051 -5.643 240 2HG ARG 33 HG3 ARG 33 -11.592 -13.079 -4.172 241 1HD ARG 33 HD2 ARG 33 -13.947 -14.029 -5.995 242 2HD ARG 33 HD3 ARG 33 -13.388 -14.655 -4.399 243 HE ARG 33 HE ARG 33 -14.128 -11.749 -4.359 244 1HH1 ARG 33 HH1 ARG 33 -15.435 -15.043 -3.927 245 2HH1 ARG 33 HH1 ARG 33 -16.940 -14.389 -3.369 246 1HH2 ARG 33 HH2 ARG 33 -16.030 -11.108 -3.669 247 2HH2 ARG 33 HH2 ARG 33 -17.293 -12.239 -3.226 248 H CYS 34 HN CYS 34 -13.249 -9.828 -7.760 249 HA CYS 34 HA CYS 34 -15.796 -9.338 -6.383 250 1HB CYS 34 HB3 CYS 34 -16.418 -8.424 -8.685 251 2HB CYS 34 HB2 CYS 34 -15.302 -7.494 -7.671 252 1HN NH2 35 HT1 CYS 34 -15.750 -11.967 -6.051 253 2HN NH2 35 HT2 CYS 34 -16.529 -12.775 -7.377 Start of MODEL 18 1 2H ALA 1 HN2 ALA 1 -0.788 -3.379 2.394 2 H ALA 1 HN ALA 1 -2.145 -3.521 1.411 3 3H ALA 1 HN3 ALA 1 -0.590 -3.615 0.710 4 HA ALA 1 HA ALA 1 -0.181 -1.309 1.217 5 1HB ALA 1 HB1 ALA 1 -1.989 -0.254 -0.259 6 2HB ALA 1 HB2 ALA 1 -1.484 -1.836 -0.904 7 3HB ALA 1 HB3 ALA 1 -3.033 -1.694 -0.001 8 H SER 2 HN SER 2 -1.298 0.904 1.952 9 HA SER 2 HA SER 2 -2.842 0.412 4.398 10 1HB SER 2 HB3 SER 2 -0.452 2.209 3.884 11 2HB SER 2 HB2 SER 2 -1.687 2.824 5.026 12 HG SER 2 HG SER 2 -1.442 1.134 6.316 13 H CYS 3 HN CYS 3 -4.198 2.081 5.162 14 HA CYS 3 HA CYS 3 -5.346 3.951 3.210 15 1HB CYS 3 HB3 CYS 3 -7.761 2.937 3.847 16 2HB CYS 3 HB2 CYS 3 -6.789 2.210 2.602 17 H ARG 4 HN ARG 4 -7.307 5.011 4.239 18 HA ARG 4 HA ARG 4 -6.891 5.651 7.116 19 1HB ARG 4 HB2 ARG 4 -8.359 7.389 5.004 20 2HB ARG 4 HB3 ARG 4 -8.112 7.791 6.728 21 1HG ARG 4 HG3 ARG 4 -5.937 7.585 4.580 22 2HG ARG 4 HG2 ARG 4 -6.756 9.045 5.225 23 1HD ARG 4 HD2 ARG 4 -4.884 9.217 6.560 24 2HD ARG 4 HD3 ARG 4 -5.866 8.150 7.619 25 HE ARG 4 HE ARG 4 -4.311 6.393 7.189 26 1HH1 ARG 4 HH1 ARG 4 -3.942 8.719 4.578 27 2HH1 ARG 4 HH1 ARG 4 -2.383 8.092 4.123 28 1HH2 ARG 4 HH2 ARG 4 -2.459 5.575 6.507 29 2HH2 ARG 4 HH2 ARG 4 -1.536 6.337 5.235 30 H THR 5 HN THR 5 -9.309 5.266 4.481 31 HA THR 5 HA THR 5 -11.188 3.883 6.240 32 HB THR 5 HB THR 5 -13.070 4.905 4.915 33 HG1 THR 5 HG1 THR 5 -12.429 6.962 3.917 34 1HG2 THR 5 HG2 THR 5 -13.015 7.146 6.037 35 2HG2 THR 5 HG2 THR 5 -12.391 5.881 7.150 36 3HG2 THR 5 HG2 THR 5 -11.246 6.984 6.308 37 HA PRO 6 HA PRO 6 -10.528 0.860 3.050 38 1HB PRO 6 HB2 PRO 6 -13.468 0.142 2.808 39 2HB PRO 6 HB3 PRO 6 -12.060 -0.843 3.295 40 1HG PRO 6 HG2 PRO 6 -13.935 0.094 5.114 41 2HG PRO 6 HG3 PRO 6 -12.185 0.013 5.540 42 1HD PRO 6 HD3 PRO 6 -13.719 2.478 4.624 43 2HD PRO 6 HD2 PRO 6 -12.548 2.231 6.011 44 H LYS 7 HN LYS 7 -12.617 3.445 2.144 45 HA LYS 7 HA LYS 7 -13.044 3.018 -0.611 46 1HB LYS 7 HB3 LYS 7 -13.086 5.623 1.056 47 2HB LYS 7 HB2 LYS 7 -13.678 5.439 -0.628 48 1HG LYS 7 HG2 LYS 7 -15.554 5.480 0.672 49 2HG LYS 7 HG3 LYS 7 -15.400 3.771 0.156 50 1HD LYS 7 HD2 LYS 7 -14.737 3.089 2.395 51 2HD LYS 7 HD3 LYS 7 -14.397 4.788 2.900 52 1HE LYS 7 HE3 LYS 7 -17.215 3.734 2.212 53 2HE LYS 7 HE2 LYS 7 -16.519 3.826 3.885 54 1HZ LYS 7 HZ1 LYS 7 -16.863 6.111 2.021 55 2HZ LYS 7 HZ2 LYS 7 -17.838 5.739 3.359 56 3HZ LYS 7 HZ3 LYS 7 -16.214 6.179 3.589 57 H ASP 8 HN ASP 8 -10.129 3.958 1.123 58 HA ASP 8 HA ASP 8 -8.970 5.378 -1.160 59 1HB ASP 8 HB2 ASP 8 -7.727 4.614 1.564 60 2HB ASP 8 HB3 ASP 8 -7.036 5.762 0.357 61 H CYS 9 HN CYS 9 -9.390 2.026 -0.530 62 HA CYS 9 HA CYS 9 -6.679 1.443 -1.619 63 1HB CYS 9 HB3 CYS 9 -7.451 0.894 0.841 64 2HB CYS 9 HB2 CYS 9 -8.147 -0.582 0.127 65 H ALA 10 HN ALA 10 -9.515 1.804 -2.857 66 HA ALA 10 HA ALA 10 -10.136 -0.476 -4.303 67 1HB ALA 10 HB1 ALA 10 -11.528 1.177 -5.681 68 2HB ALA 10 HB2 ALA 10 -11.680 1.441 -3.918 69 3HB ALA 10 HB3 ALA 10 -10.643 2.526 -4.891 70 H ASP 11 HN ASP 11 -8.282 2.423 -5.263 71 HA ASP 11 HA ASP 11 -7.384 1.536 -7.788 72 1HB ASP 11 HB2 ASP 11 -6.361 3.825 -5.981 73 2HB ASP 11 HB3 ASP 11 -5.950 3.604 -7.730 74 HA PRO 12 HA PRO 12 -3.191 0.199 -5.870 75 1HB PRO 12 HB2 PRO 12 -2.792 -0.130 -3.166 76 2HB PRO 12 HB3 PRO 12 -2.844 1.509 -3.928 77 1HG PRO 12 HG3 PRO 12 -5.213 0.315 -2.656 78 2HG PRO 12 HG2 PRO 12 -4.382 1.859 -2.220 79 1HD PRO 12 HD3 PRO 12 -6.442 1.939 -3.986 80 2HD PRO 12 HD2 PRO 12 -4.924 2.852 -4.374 81 H CYS 13 HN CYS 13 -6.290 -1.070 -4.530 82 HA CYS 13 HA CYS 13 -5.270 -3.810 -4.517 83 1HB CYS 13 HB2 CYS 13 -6.955 -3.363 -2.873 84 2HB CYS 13 HB3 CYS 13 -8.144 -2.859 -4.091 85 H ARG 14 HN ARG 14 -7.037 -1.737 -6.879 86 HA ARG 14 HA ARG 14 -7.820 -3.577 -8.806 87 1HB ARG 14 HB3 ARG 14 -8.256 -0.979 -8.622 88 2HB ARG 14 HB2 ARG 14 -6.615 -0.748 -9.203 89 1HG ARG 14 HG2 ARG 14 -8.056 -0.360 -10.988 90 2HG ARG 14 HG3 ARG 14 -7.184 -1.892 -11.356 91 1HD ARG 14 HD3 ARG 14 -9.551 -2.141 -12.056 92 2HD ARG 14 HD2 ARG 14 -9.405 -3.135 -10.594 93 HE ARG 14 HE ARG 14 -10.514 -1.353 -9.263 94 1HH1 ARG 14 HH2 ARG 14 -10.099 -0.390 -12.504 95 2HH1 ARG 14 HH2 ARG 14 -11.509 0.639 -12.587 96 1HH2 ARG 14 HH1 ARG 14 -12.409 -0.058 -9.310 97 2HH2 ARG 14 HH1 ARG 14 -12.849 0.755 -10.789 98 H LYS 15 HN LYS 15 -4.469 -2.505 -8.250 99 HA LYS 15 HA LYS 15 -3.640 -3.548 -10.829 100 1HB LYS 15 HB3 LYS 15 -1.939 -2.203 -8.660 101 2HB LYS 15 HB2 LYS 15 -1.436 -2.583 -10.346 102 1HG LYS 15 HG3 LYS 15 -3.607 -0.587 -9.453 103 2HG LYS 15 HG2 LYS 15 -1.979 -0.194 -10.098 104 1HD LYS 15 HD3 LYS 15 -2.690 -1.233 -12.304 105 2HD LYS 15 HD2 LYS 15 -4.316 -1.545 -11.578 106 1HE LYS 15 HE3 LYS 15 -3.127 1.262 -11.972 107 2HE LYS 15 HE2 LYS 15 -4.365 0.468 -13.028 108 1HZ LYS 15 HZ1 LYS 15 -4.679 1.079 -10.137 109 2HZ LYS 15 HZ2 LYS 15 -5.358 1.938 -11.437 110 3HZ LYS 15 HZ3 LYS 15 -5.832 0.335 -11.137 111 H GLU 16 HN GLU 16 -3.907 -4.752 -7.594 112 HA GLU 16 HA GLU 16 -2.129 -7.041 -8.187 113 1HB GLU 16 HB2 GLU 16 -2.098 -7.706 -5.830 114 2HB GLU 16 HB3 GLU 16 -1.485 -6.041 -6.043 115 1HG GLU 16 HG3 GLU 16 -3.619 -5.117 -5.227 116 2HG GLU 16 HG2 GLU 16 -4.323 -6.760 -5.062 117 H THR 17 HN THR 17 -5.684 -6.471 -7.290 118 HA THR 17 HA THR 17 -6.075 -9.323 -7.936 119 HB THR 17 HB THR 17 -8.285 -9.111 -6.969 120 HG1 THR 17 HG1 THR 17 -8.431 -7.064 -5.601 121 H GLY 18 HN GLY 18 -7.608 -6.281 -8.393 122 1HA GLY 18 HA1 GLY 18 -8.200 -5.187 -10.390 123 2HA GLY 18 HA2 GLY 18 -8.575 -6.733 -11.148 124 H CYS 19 HN CYS 19 -9.592 -6.691 -7.835 125 HA CYS 19 HA CYS 19 -12.218 -5.519 -8.601 126 1HB CYS 19 HB3 CYS 19 -12.724 -7.637 -8.530 127 2HB CYS 19 HB2 CYS 19 -11.945 -8.018 -6.938 128 HA PRO 20 HA PRO 20 -10.647 -2.792 -5.342 129 1HB PRO 20 HB3 PRO 20 -12.699 -0.816 -5.528 130 2HB PRO 20 HB2 PRO 20 -11.589 -1.154 -6.908 131 1HG PRO 20 HG3 PRO 20 -14.272 -2.223 -6.443 132 2HG PRO 20 HG2 PRO 20 -13.700 -1.409 -7.943 133 1HD PRO 20 HD3 PRO 20 -13.691 -4.224 -7.752 134 2HD PRO 20 HD2 PRO 20 -12.352 -3.303 -8.565 135 H TYR 21 HN TYR 21 -11.525 -5.009 -4.138 136 HA TYR 21 HA TYR 21 -13.731 -4.352 -2.230 137 1HB TYR 21 HB3 TYR 21 -13.079 -6.883 -3.910 138 2HB TYR 21 HB2 TYR 21 -13.448 -7.212 -2.262 139 HD1 TYR 21 HD1 TYR 21 -14.982 -4.449 -4.477 140 HD2 TYR 21 HD2 TYR 21 -15.581 -8.089 -2.225 141 HE1 TYR 21 HE1 TYR 21 -17.360 -4.245 -4.809 142 HE2 TYR 21 HE2 TYR 21 -17.996 -7.902 -2.615 143 HH TYR 21 HH TYR 21 -19.437 -5.080 -4.250 144 H GLY 22 HN GLY 22 -11.638 -3.170 -1.280 145 1HA GLY 22 HA1 GLY 22 -10.351 -5.092 0.634 146 2HA GLY 22 HA2 GLY 22 -9.628 -3.538 0.160 147 H LYS 23 HN LYS 23 -10.270 -4.857 2.861 148 HA LYS 23 HA LYS 23 -12.118 -2.834 3.961 149 1HB LYS 23 HB3 LYS 23 -11.514 -5.736 4.735 150 2HB LYS 23 HB2 LYS 23 -12.433 -4.617 5.802 151 1HG LYS 23 HG3 LYS 23 -14.334 -4.522 4.368 152 2HG LYS 23 HG2 LYS 23 -13.438 -5.100 2.933 153 1HD LYS 23 HD3 LYS 23 -14.800 -6.900 3.541 154 2HD LYS 23 HD2 LYS 23 -13.117 -7.337 3.980 155 1HE LYS 23 HE2 LYS 23 -14.632 -8.132 5.716 156 2HE LYS 23 HE3 LYS 23 -13.697 -6.755 6.425 157 1HZ LYS 23 HZ1 LYS 23 -16.030 -6.632 6.932 158 2HZ LYS 23 HZ2 LYS 23 -15.583 -5.327 5.941 159 3HZ LYS 23 HZ3 LYS 23 -16.448 -6.635 5.286 160 H CYS 24 HN CYS 24 -11.276 -1.537 5.563 161 HA CYS 24 HA CYS 24 -8.387 -1.594 5.936 162 1HB CYS 24 HB3 CYS 24 -9.923 0.442 5.246 163 2HB CYS 24 HB2 CYS 24 -10.189 0.652 6.978 164 H MET 25 HN MET 25 -7.554 -2.663 7.568 165 HA MET 25 HA MET 25 -8.883 -2.685 10.249 166 1HB MET 25 HB3 MET 25 -7.281 -4.829 8.695 167 2HB MET 25 HB2 MET 25 -7.531 -4.963 10.467 168 1HG MET 25 HG3 MET 25 -9.975 -5.172 10.187 169 2HG MET 25 HG2 MET 25 -9.835 -4.936 8.419 170 1HE MET 25 HE1 MET 25 -11.011 -8.599 9.148 171 2HE MET 25 HE2 MET 25 -11.280 -7.130 10.143 172 3HE MET 25 HE3 MET 25 -11.388 -7.029 8.350 173 H ASN 26 HN ASN 26 -7.892 -1.135 11.324 174 HA ASN 26 HA ASN 26 -6.380 0.161 12.245 175 1HB ASN 26 HB3 ASN 26 -5.550 -2.314 13.073 176 2HB ASN 26 HB2 ASN 26 -4.078 -1.890 12.182 177 1HD2 ASN 26 HD2 ASN 26 -3.575 0.742 12.878 178 2HD2 ASN 26 HD2 ASN 26 -3.635 0.984 14.616 179 H ARG 27 HN ARG 27 -6.523 0.526 9.440 180 HA ARG 27 HA ARG 27 -5.690 1.993 7.985 181 1HB ARG 27 HB3 ARG 27 -2.879 1.883 9.184 182 2HB ARG 27 HB2 ARG 27 -3.476 3.017 7.921 183 1HG ARG 27 HG3 ARG 27 -4.960 4.134 9.599 184 2HG ARG 27 HG2 ARG 27 -4.348 2.998 10.846 185 1HD ARG 27 HD2 ARG 27 -1.964 3.711 10.201 186 2HD ARG 27 HD3 ARG 27 -2.693 5.072 9.281 187 HE ARG 27 HE ARG 27 -3.447 6.083 11.302 188 1HH1 ARG 27 HH1 ARG 27 -1.897 3.076 11.933 189 2HH1 ARG 27 HH1 ARG 27 -1.407 3.498 13.572 190 1HH2 ARG 27 HH2 ARG 27 -2.982 6.602 13.375 191 2HH2 ARG 27 HH2 ARG 27 -2.094 5.522 14.396 192 H LYS 28 HN LYS 28 -5.186 -1.218 8.050 193 HA LYS 28 HA LYS 28 -3.485 -1.287 5.630 194 1HB LYS 28 HB2 LYS 28 -3.731 -3.380 7.874 195 2HB LYS 28 HB3 LYS 28 -2.809 -3.604 6.351 196 1HG LYS 28 HG2 LYS 28 -1.347 -1.711 6.861 197 2HG LYS 28 HG3 LYS 28 -2.159 -1.424 8.440 198 1HD LYS 28 HD3 LYS 28 -0.772 -4.059 7.663 199 2HD LYS 28 HD2 LYS 28 -0.022 -2.733 8.607 200 1HE LYS 28 HE2 LYS 28 -1.772 -2.981 10.393 201 2HE LYS 28 HE3 LYS 28 -2.530 -4.343 9.477 202 1HZ LYS 28 HZ1 LYS 28 -0.451 -5.524 9.611 203 2HZ LYS 28 HZ2 LYS 28 0.261 -4.250 10.479 204 3HZ LYS 28 HZ3 LYS 28 -1.035 -5.117 11.152 205 H CYS 29 HN CYS 29 -4.193 -2.352 3.836 206 HA CYS 29 HA CYS 29 -7.026 -3.068 3.817 207 1HB CYS 29 HB3 CYS 29 -5.537 -3.076 1.143 208 2HB CYS 29 HB2 CYS 29 -7.113 -2.507 1.669 209 H LYS 30 HN LYS 30 -7.602 -5.135 4.048 210 HA LYS 30 HA LYS 30 -6.002 -7.378 2.995 211 1HB LYS 30 HB3 LYS 30 -8.595 -7.312 4.705 212 2HB LYS 30 HB2 LYS 30 -7.626 -8.774 4.324 213 1HG LYS 30 HG2 LYS 30 -6.697 -6.390 6.110 214 2HG LYS 30 HG3 LYS 30 -7.542 -7.876 6.629 215 1HD LYS 30 HD3 LYS 30 -5.394 -8.380 7.182 216 2HD LYS 30 HD2 LYS 30 -5.597 -9.262 5.637 217 1HE LYS 30 HE2 LYS 30 -4.244 -7.421 4.494 218 2HE LYS 30 HE3 LYS 30 -4.127 -6.559 6.082 219 1HZ LYS 30 HZ1 LYS 30 -2.184 -7.869 5.622 220 2HZ LYS 30 HZ2 LYS 30 -2.999 -8.474 6.984 221 3HZ LYS 30 HZ3 LYS 30 -3.106 -9.291 5.500 222 H CYS 31 HN CYS 31 -6.638 -7.954 0.767 223 HA CYS 31 HA CYS 31 -9.163 -6.749 -0.108 224 1HB CYS 31 HB2 CYS 31 -6.932 -6.239 -1.176 225 2HB CYS 31 HB3 CYS 31 -7.150 -7.709 -2.144 226 H ASN 32 HN ASN 32 -10.400 -7.977 -2.024 227 HA ASN 32 HA ASN 32 -10.860 -10.753 -1.253 228 1HB ASN 32 HB2 ASN 32 -11.995 -9.160 0.437 229 2HB ASN 32 HB3 ASN 32 -13.066 -8.539 -0.806 230 1HD2 ASN 32 HD2 ASN 32 -14.884 -10.302 -1.418 231 2HD2 ASN 32 HD2 ASN 32 -15.062 -11.583 -0.240 232 H ARG 33 HN ARG 33 -13.410 -11.106 -2.509 233 HA ARG 33 HA ARG 33 -13.088 -10.060 -5.212 234 1HB ARG 33 HB3 ARG 33 -12.214 -12.514 -4.653 235 2HB ARG 33 HB2 ARG 33 -13.920 -12.990 -4.739 236 1HG ARG 33 HG2 ARG 33 -12.519 -13.344 -6.793 237 2HG ARG 33 HG3 ARG 33 -13.935 -12.309 -7.162 238 1HD ARG 33 HD3 ARG 33 -11.633 -11.664 -8.255 239 2HD ARG 33 HD2 ARG 33 -12.558 -10.356 -7.440 240 HE ARG 33 HE ARG 33 -11.080 -10.377 -5.528 241 1HH1 ARG 33 HH1 ARG 33 -9.717 -12.175 -8.238 242 2HH1 ARG 33 HH1 ARG 33 -8.217 -12.481 -7.405 243 1HH2 ARG 33 HH2 ARG 33 -9.217 -10.686 -4.582 244 2HH2 ARG 33 HH2 ARG 33 -7.888 -11.473 -5.381 245 H CYS 34 HN CYS 34 -14.975 -10.284 -6.550 246 HA CYS 34 HA CYS 34 -17.515 -9.876 -5.178 247 1HB CYS 34 HB2 CYS 34 -17.839 -8.115 -7.068 248 2HB CYS 34 HB3 CYS 34 -16.712 -7.665 -5.759 249 1HN NH2 35 HT1 CYS 34 -19.331 -10.409 -6.770 250 2HN NH2 35 HT2 CYS 34 -18.985 -11.576 -8.011 Start of MODEL 19 1 2H ALA 1 HN2 ALA 1 -2.721 -3.690 0.878 2 H ALA 1 HN ALA 1 -1.235 -4.007 0.109 3 3H ALA 1 HN3 ALA 1 -1.313 -3.805 1.801 4 HA ALA 1 HA ALA 1 -0.431 -1.820 0.628 5 1HB ALA 1 HB1 ALA 1 -2.102 -0.488 -0.824 6 2HB ALA 1 HB2 ALA 1 -1.833 -2.124 -1.453 7 3HB ALA 1 HB3 ALA 1 -3.330 -1.761 -0.529 8 H SER 2 HN SER 2 -1.310 0.593 1.351 9 HA SER 2 HA SER 2 -2.425 0.317 4.036 10 1HB SER 2 HB3 SER 2 -0.761 2.549 2.713 11 2HB SER 2 HB2 SER 2 -1.438 2.659 4.384 12 HG SER 2 HG SER 2 -0.095 1.140 5.051 13 H CYS 3 HN CYS 3 -3.952 1.852 4.811 14 HA CYS 3 HA CYS 3 -5.515 3.448 2.905 15 1HB CYS 3 HB2 CYS 3 -7.716 2.362 3.867 16 2HB CYS 3 HB3 CYS 3 -6.732 1.417 2.740 17 H ARG 4 HN ARG 4 -7.306 4.578 4.152 18 HA ARG 4 HA ARG 4 -6.482 5.478 6.861 19 1HB ARG 4 HB2 ARG 4 -7.662 7.160 4.574 20 2HB ARG 4 HB3 ARG 4 -7.568 7.716 6.289 21 1HG ARG 4 HG3 ARG 4 -5.197 7.385 6.383 22 2HG ARG 4 HG2 ARG 4 -5.088 6.986 4.634 23 1HD ARG 4 HD3 ARG 4 -5.644 9.367 4.025 24 2HD ARG 4 HD2 ARG 4 -5.994 9.735 5.782 25 HE ARG 4 HE ARG 4 -3.424 8.581 5.736 26 1HH1 ARG 4 HH1 ARG 4 -4.920 11.508 4.549 27 2HH1 ARG 4 HH1 ARG 4 -3.512 12.472 4.887 28 1HH2 ARG 4 HH2 ARG 4 -1.668 9.775 6.041 29 2HH2 ARG 4 HH2 ARG 4 -1.676 11.482 5.704 30 H THR 5 HN THR 5 -9.212 5.395 4.471 31 HA THR 5 HA THR 5 -10.928 4.038 6.408 32 HB THR 5 HB THR 5 -12.848 5.102 5.098 33 HG1 THR 5 HG1 THR 5 -12.250 7.011 3.969 34 1HG2 THR 5 HG2 THR 5 -10.861 7.064 6.461 35 2HG2 THR 5 HG2 THR 5 -12.619 7.338 6.232 36 3HG2 THR 5 HG2 THR 5 -12.055 6.035 7.334 37 HA PRO 6 HA PRO 6 -10.601 0.838 3.273 38 1HB PRO 6 HB2 PRO 6 -13.615 0.385 3.302 39 2HB PRO 6 HB3 PRO 6 -12.267 -0.746 3.563 40 1HG PRO 6 HG3 PRO 6 -13.795 0.273 5.640 41 2HG PRO 6 HG2 PRO 6 -12.007 0.133 5.845 42 1HD PRO 6 HD3 PRO 6 -13.559 2.640 5.065 43 2HD PRO 6 HD2 PRO 6 -12.261 2.363 6.331 44 H LYS 7 HN LYS 7 -12.646 3.552 2.339 45 HA LYS 7 HA LYS 7 -13.038 2.793 -0.410 46 1HB LYS 7 HB3 LYS 7 -14.173 4.917 -0.677 47 2HB LYS 7 HB2 LYS 7 -14.712 3.987 0.747 48 1HG LYS 7 HG3 LYS 7 -14.710 6.041 1.688 49 2HG LYS 7 HG2 LYS 7 -13.055 5.581 2.130 50 1HD LYS 7 HD3 LYS 7 -12.527 6.846 -0.259 51 2HD LYS 7 HD2 LYS 7 -14.146 7.544 0.058 52 1HE LYS 7 HE3 LYS 7 -11.563 7.778 1.721 53 2HE LYS 7 HE2 LYS 7 -12.504 9.120 0.952 54 1HZ LYS 7 HZ1 LYS 7 -13.374 7.392 3.224 55 2HZ LYS 7 HZ2 LYS 7 -12.839 9.001 3.323 56 3HZ LYS 7 HZ3 LYS 7 -14.291 8.635 2.521 57 H ASP 8 HN ASP 8 -10.114 3.739 1.141 58 HA ASP 8 HA ASP 8 -9.091 5.206 -1.179 59 1HB ASP 8 HB3 ASP 8 -7.768 4.509 1.542 60 2HB ASP 8 HB2 ASP 8 -7.088 5.584 0.259 61 H CYS 9 HN CYS 9 -9.567 1.918 -0.359 62 HA CYS 9 HA CYS 9 -6.950 1.114 -1.437 63 1HB CYS 9 HB3 CYS 9 -7.834 0.483 0.935 64 2HB CYS 9 HB2 CYS 9 -8.748 -0.802 0.117 65 H ALA 10 HN ALA 10 -9.927 1.739 -2.666 66 HA ALA 10 HA ALA 10 -10.646 -0.461 -4.174 67 1HB ALA 10 HB1 ALA 10 -11.056 2.549 -4.674 68 2HB ALA 10 HB2 ALA 10 -11.989 1.238 -5.483 69 3HB ALA 10 HB3 ALA 10 -12.102 1.469 -3.706 70 H ASP 11 HN ASP 11 -8.655 2.354 -5.145 71 HA ASP 11 HA ASP 11 -7.959 1.435 -7.741 72 1HB ASP 11 HB2 ASP 11 -6.736 3.694 -6.043 73 2HB ASP 11 HB3 ASP 11 -6.440 3.443 -7.807 74 HA PRO 12 HA PRO 12 -3.696 -0.063 -6.074 75 1HB PRO 12 HB3 PRO 12 -3.395 -0.561 -3.283 76 2HB PRO 12 HB2 PRO 12 -2.882 0.923 -4.143 77 1HG PRO 12 HG2 PRO 12 -5.407 0.306 -2.645 78 2HG PRO 12 HG3 PRO 12 -4.400 1.815 -2.518 79 1HD PRO 12 HD2 PRO 12 -6.734 1.741 -3.985 80 2HD PRO 12 HD3 PRO 12 -5.287 2.671 -4.567 81 H CYS 13 HN CYS 13 -6.815 -1.228 -4.630 82 HA CYS 13 HA CYS 13 -6.006 -3.967 -4.487 83 1HB CYS 13 HB2 CYS 13 -7.616 -3.125 -2.926 84 2HB CYS 13 HB3 CYS 13 -8.747 -2.687 -4.233 85 H ARG 14 HN ARG 14 -7.578 -1.895 -6.963 86 HA ARG 14 HA ARG 14 -8.155 -3.873 -8.908 87 1HB ARG 14 HB3 ARG 14 -9.019 -1.449 -8.892 88 2HB ARG 14 HB2 ARG 14 -7.359 -0.864 -9.099 89 1HG ARG 14 HG2 ARG 14 -8.593 -0.689 -11.179 90 2HG ARG 14 HG3 ARG 14 -7.182 -1.777 -11.342 91 1HD ARG 14 HD2 ARG 14 -9.261 -2.634 -12.529 92 2HD ARG 14 HD3 ARG 14 -8.617 -3.812 -11.319 93 HE ARG 14 HE ARG 14 -10.471 -2.144 -9.916 94 HH1 ARG 14 HH1 ARG 14 -13.316 -2.334 -11.609 95 HH1 ARG 14 HH1 ARG 14 -12.281 -1.339 -10.649 96 HH2 ARG 14 HH2 ARG 14 -12.495 -4.481 -12.315 97 HH2 ARG 14 HH2 ARG 14 -10.873 -4.852 -11.791 98 H LYS 15 HN LYS 15 -5.102 -2.669 -7.872 99 HA LYS 15 HA LYS 15 -3.769 -3.476 -10.332 100 1HB LYS 15 HB2 LYS 15 -3.389 -1.263 -9.248 101 2HB LYS 15 HB3 LYS 15 -2.665 -2.057 -7.826 102 1HG LYS 15 HG3 LYS 15 -0.815 -2.937 -9.333 103 2HG LYS 15 HG2 LYS 15 -1.629 -2.173 -10.751 104 1HD LYS 15 HD3 LYS 15 -1.393 0.064 -9.557 105 2HD LYS 15 HD2 LYS 15 -0.510 -0.806 -8.248 106 1HE LYS 15 HE3 LYS 15 1.284 -1.464 -9.885 107 2HE LYS 15 HE2 LYS 15 0.403 -0.578 -11.198 108 1HZ LYS 15 HZ1 LYS 15 0.637 1.438 -9.912 109 2HZ LYS 15 HZ2 LYS 15 1.460 0.606 -8.682 110 3HZ LYS 15 HZ3 LYS 15 2.149 0.735 -10.230 111 H GLU 16 HN GLU 16 -3.720 -4.227 -6.741 112 HA GLU 16 HA GLU 16 -1.845 -6.428 -7.136 113 1HB GLU 16 HB3 GLU 16 -1.852 -6.838 -4.679 114 2HB GLU 16 HB2 GLU 16 -1.519 -5.130 -5.015 115 1HG GLU 16 HG3 GLU 16 -4.082 -4.782 -4.726 116 2HG GLU 16 HG2 GLU 16 -4.188 -6.435 -4.053 117 H THR 17 HN THR 17 -5.419 -6.312 -6.541 118 HA THR 17 HA THR 17 -5.331 -9.239 -7.044 119 HB THR 17 HB THR 17 -5.875 -8.778 -4.698 120 HG1 THR 17 HG1 THR 17 -6.656 -10.599 -6.257 121 H GLY 18 HN GLY 18 -6.962 -6.172 -7.858 122 1HA GLY 18 HA1 GLY 18 -7.308 -5.860 -10.132 123 2HA GLY 18 HA2 GLY 18 -7.751 -7.528 -10.386 124 H CYS 19 HN CYS 19 -9.305 -6.470 -7.647 125 HA CYS 19 HA CYS 19 -11.585 -5.265 -9.094 126 1HB CYS 19 HB2 CYS 19 -11.606 -7.933 -7.638 127 2HB CYS 19 HB3 CYS 19 -13.010 -6.873 -7.365 128 HA PRO 20 HA PRO 20 -10.927 -2.746 -5.535 129 1HB PRO 20 HB3 PRO 20 -12.848 -0.807 -5.981 130 2HB PRO 20 HB2 PRO 20 -11.764 -1.301 -7.323 131 1HG PRO 20 HG3 PRO 20 -14.488 -2.221 -6.814 132 2HG PRO 20 HG2 PRO 20 -13.840 -1.566 -8.368 133 1HD PRO 20 HD3 PRO 20 -13.969 -4.360 -7.768 134 2HD PRO 20 HD2 PRO 20 -12.733 -3.592 -8.857 135 H TYR 21 HN TYR 21 -12.276 -5.135 -4.480 136 HA TYR 21 HA TYR 21 -14.365 -4.032 -2.640 137 1HB TYR 21 HB3 TYR 21 -13.689 -7.055 -3.287 138 2HB TYR 21 HB2 TYR 21 -14.700 -6.467 -1.943 139 HD1 TYR 21 HD1 TYR 21 -15.101 -4.844 -5.364 140 HD2 TYR 21 HD2 TYR 21 -16.390 -7.867 -2.564 141 HE1 TYR 21 HE1 TYR 21 -17.120 -5.245 -6.696 142 HE2 TYR 21 HE2 TYR 21 -18.377 -8.265 -3.886 143 HH TYR 21 HH TYR 21 -19.022 -6.486 -6.920 144 H GLY 22 HN GLY 22 -13.274 -3.090 -0.765 145 1HA GLY 22 HA1 GLY 22 -11.505 -5.052 0.602 146 2HA GLY 22 HA2 GLY 22 -10.797 -3.471 0.102 147 H LYS 23 HN LYS 23 -10.758 -4.501 2.710 148 HA LYS 23 HA LYS 23 -12.462 -2.664 4.239 149 1HB LYS 23 HB3 LYS 23 -11.678 -5.610 4.669 150 2HB LYS 23 HB2 LYS 23 -12.331 -4.603 6.008 151 1HG LYS 23 HG3 LYS 23 -14.506 -4.467 5.081 152 2HG LYS 23 HG2 LYS 23 -13.945 -4.830 3.425 153 1HD LYS 23 HD3 LYS 23 -15.158 -6.706 4.176 154 2HD LYS 23 HD2 LYS 23 -13.431 -7.160 3.994 155 1HE LYS 23 HE3 LYS 23 -13.148 -7.102 6.496 156 2HE LYS 23 HE2 LYS 23 -14.863 -6.544 6.681 157 1HZ LYS 23 HZ1 LYS 23 -14.639 -8.902 6.990 158 2HZ LYS 23 HZ2 LYS 23 -15.579 -8.573 5.615 159 3HZ LYS 23 HZ3 LYS 23 -13.973 -9.097 5.439 160 H CYS 24 HN CYS 24 -11.263 -1.538 5.813 161 HA CYS 24 HA CYS 24 -8.322 -1.752 5.693 162 1HB CYS 24 HB3 CYS 24 -9.758 0.426 5.437 163 2HB CYS 24 HB2 CYS 24 -9.974 0.387 7.186 164 H MET 25 HN MET 25 -7.110 -2.769 7.316 165 HA MET 25 HA MET 25 -8.477 -3.351 9.920 166 1HB MET 25 HB2 MET 25 -6.366 -5.084 8.462 167 2HB MET 25 HB3 MET 25 -6.940 -5.346 10.127 168 1HG MET 25 HG2 MET 25 -9.237 -5.894 9.348 169 2HG MET 25 HG3 MET 25 -8.776 -5.557 7.663 170 1HE MET 25 HE1 MET 25 -7.468 -9.157 10.305 171 2HE MET 25 HE2 MET 25 -6.915 -7.498 10.695 172 3HE MET 25 HE3 MET 25 -8.669 -7.891 10.722 173 H ASN 26 HN ASN 26 -7.809 -1.162 10.234 174 HA ASN 26 HA ASN 26 -6.735 0.346 11.418 175 1HB ASN 26 HB2 ASN 26 -6.462 -1.615 13.012 176 2HB ASN 26 HB3 ASN 26 -4.775 -1.801 12.448 177 1HD2 ASN 26 HD2 ASN 26 -3.466 0.342 12.719 178 2HD2 ASN 26 HD2 ASN 26 -3.747 1.201 14.231 179 H ARG 27 HN ARG 27 -6.185 0.849 8.953 180 HA ARG 27 HA ARG 27 -4.964 2.160 7.742 181 1HB ARG 27 HB3 ARG 27 -2.550 1.843 9.553 182 2HB ARG 27 HB2 ARG 27 -2.658 2.969 8.165 183 1HG ARG 27 HG2 ARG 27 -4.218 4.404 9.284 184 2HG ARG 27 HG3 ARG 27 -4.749 3.118 10.401 185 1HD ARG 27 HD2 ARG 27 -3.421 4.743 11.659 186 2HD ARG 27 HD3 ARG 27 -2.603 3.119 11.603 187 HE ARG 27 HE ARG 27 -1.803 4.939 9.401 188 1HH1 ARG 27 HH1 ARG 27 -1.111 4.214 12.794 189 2HH1 ARG 27 HH1 ARG 27 0.542 4.690 12.633 190 1HH2 ARG 27 HH2 ARG 27 0.277 5.600 9.326 191 2HH2 ARG 27 HH2 ARG 27 1.305 5.511 10.733 192 H LYS 28 HN LYS 28 -4.217 -1.088 8.234 193 HA LYS 28 HA LYS 28 -2.783 -1.324 5.642 194 1HB LYS 28 HB3 LYS 28 -1.973 -2.371 7.959 195 2HB LYS 28 HB2 LYS 28 -3.162 -3.648 7.623 196 1HG LYS 28 HG3 LYS 28 -0.719 -2.716 5.918 197 2HG LYS 28 HG2 LYS 28 -0.786 -4.163 6.985 198 1HD LYS 28 HD3 LYS 28 -2.485 -5.214 5.415 199 2HD LYS 28 HD2 LYS 28 -2.350 -3.763 4.383 200 1HE LYS 28 HE3 LYS 28 0.166 -4.239 4.129 201 2HE LYS 28 HE2 LYS 28 -0.143 -5.839 4.916 202 1HZ LYS 28 HZ1 LYS 28 -1.460 -4.783 2.454 203 2HZ LYS 28 HZ2 LYS 28 -0.227 -5.950 2.517 204 3HZ LYS 28 HZ3 LYS 28 -1.757 -6.293 3.170 205 H CYS 29 HN CYS 29 -3.843 -2.389 3.941 206 HA CYS 29 HA CYS 29 -6.699 -2.998 4.250 207 1HB CYS 29 HB2 CYS 29 -4.947 -3.323 1.714 208 2HB CYS 29 HB3 CYS 29 -6.738 -3.308 1.807 209 H LYS 30 HN LYS 30 -7.659 -4.983 3.796 210 HA LYS 30 HA LYS 30 -6.043 -7.305 3.054 211 1HB LYS 30 HB2 LYS 30 -6.806 -7.585 5.482 212 2HB LYS 30 HB3 LYS 30 -8.466 -7.177 4.988 213 1HG LYS 30 HG3 LYS 30 -8.449 -9.484 5.283 214 2HG LYS 30 HG2 LYS 30 -8.467 -9.328 3.511 215 1HD LYS 30 HD3 LYS 30 -6.000 -9.974 5.293 216 2HD LYS 30 HD2 LYS 30 -7.037 -11.167 4.444 217 1HE LYS 30 HE2 LYS 30 -5.124 -9.171 3.096 218 2HE LYS 30 HE3 LYS 30 -5.003 -10.967 3.171 219 1HZ LYS 30 HZ1 LYS 30 -7.149 -9.410 1.823 220 2HZ LYS 30 HZ2 LYS 30 -5.850 -10.205 1.074 221 3HZ LYS 30 HZ3 LYS 30 -7.038 -11.102 1.893 222 H CYS 31 HN CYS 31 -7.072 -8.057 0.952 223 HA CYS 31 HA CYS 31 -9.546 -6.478 0.353 224 1HB CYS 31 HB2 CYS 31 -7.138 -5.789 -0.660 225 2HB CYS 31 HB3 CYS 31 -7.553 -7.007 -1.880 226 H ASN 32 HN ASN 32 -10.892 -7.252 -1.326 227 HA ASN 32 HA ASN 32 -11.121 -10.223 -1.194 228 1HB ASN 32 HB3 ASN 32 -13.401 -8.117 -1.456 229 2HB ASN 32 HB2 ASN 32 -13.583 -9.827 -1.033 230 1HD2 ASN 32 HD2 ASN 32 -12.203 -10.451 1.037 231 2HD2 ASN 32 HD2 ASN 32 -12.474 -9.300 2.323 232 H ARG 33 HN ARG 33 -12.737 -11.091 -2.909 233 HA ARG 33 HA ARG 33 -11.993 -10.126 -5.559 234 1HB ARG 33 HB2 ARG 33 -12.656 -12.261 -6.381 235 2HB ARG 33 HB3 ARG 33 -11.669 -12.554 -4.929 236 1HG ARG 33 HG3 ARG 33 -14.773 -12.821 -5.097 237 2HG ARG 33 HG2 ARG 33 -13.541 -14.103 -5.157 238 1HD ARG 33 HD3 ARG 33 -14.404 -14.261 -2.989 239 2HD ARG 33 HD2 ARG 33 -12.796 -13.441 -2.766 240 HE ARG 33 HE ARG 33 -14.800 -11.355 -3.108 241 1HH1 ARG 33 HH1 ARG 33 -13.769 -13.729 -0.665 242 2HH1 ARG 33 HH1 ARG 33 -14.656 -12.937 0.596 243 1HH2 ARG 33 HH2 ARG 33 -16.226 -10.784 -1.600 244 2HH2 ARG 33 HH2 ARG 33 -15.919 -11.117 0.080 245 H CYS 34 HN CYS 34 -13.642 -9.719 -7.109 246 HA CYS 34 HA CYS 34 -16.052 -8.479 -6.192 247 1HB CYS 34 HB2 CYS 34 -16.334 -8.231 -8.802 248 2HB CYS 34 HB3 CYS 34 -15.077 -7.322 -7.937 249 1HN NH2 35 HT1 CYS 34 -17.626 -10.034 -5.454 250 2HN NH2 35 HT2 CYS 34 -18.295 -11.212 -6.566 Start of MODEL 20 1 2H ALA 1 HN2 ALA 1 -0.812 -3.489 1.649 2 H ALA 1 HN ALA 1 -2.203 -3.695 0.726 3 3H ALA 1 HN3 ALA 1 -0.674 -3.723 -0.034 4 HA ALA 1 HA ALA 1 -0.375 -1.399 0.418 5 1HB ALA 1 HB1 ALA 1 -2.329 -0.407 -0.913 6 2HB ALA 1 HB2 ALA 1 -1.790 -1.952 -1.613 7 3HB ALA 1 HB3 ALA 1 -3.286 -1.899 -0.598 8 H SER 2 HN SER 2 -1.144 0.690 1.360 9 HA SER 2 HA SER 2 -2.276 0.418 3.986 10 1HB SER 2 HB3 SER 2 -1.121 2.806 4.079 11 2HB SER 2 HB2 SER 2 -0.100 1.355 3.896 12 HG SER 2 HG SER 2 -0.747 3.282 1.967 13 H CYS 3 HN CYS 3 -4.097 1.593 4.737 14 HA CYS 3 HA CYS 3 -5.515 3.324 2.765 15 1HB CYS 3 HB2 CYS 3 -7.753 2.297 3.575 16 2HB CYS 3 HB3 CYS 3 -6.662 1.278 2.653 17 H ARG 4 HN ARG 4 -7.468 4.364 4.089 18 HA ARG 4 HA ARG 4 -6.519 5.528 6.640 19 1HB ARG 4 HB2 ARG 4 -7.695 7.028 4.190 20 2HB ARG 4 HB3 ARG 4 -7.526 7.755 5.816 21 1HG ARG 4 HG3 ARG 4 -5.171 6.741 4.079 22 2HG ARG 4 HG2 ARG 4 -5.850 8.399 4.190 23 1HD ARG 4 HD3 ARG 4 -3.980 8.513 5.552 24 2HD ARG 4 HD2 ARG 4 -5.391 8.380 6.691 25 HE ARG 4 HE ARG 4 -4.258 5.699 6.188 26 1HH1 ARG 4 HH1 ARG 4 -3.587 8.716 7.841 27 2HH1 ARG 4 HH1 ARG 4 -2.554 7.970 9.020 28 1HH2 ARG 4 HH2 ARG 4 -2.891 4.807 7.766 29 2HH2 ARG 4 HH2 ARG 4 -2.154 5.817 8.967 30 H THR 5 HN THR 5 -9.264 5.303 4.303 31 HA THR 5 HA THR 5 -10.962 4.032 6.258 32 HB THR 5 HB THR 5 -12.908 5.182 5.118 33 HG1 THR 5 HG1 THR 5 -12.233 7.193 4.048 34 1HG2 THR 5 HG2 THR 5 -12.580 7.418 6.221 35 2HG2 THR 5 HG2 THR 5 -11.957 6.108 7.282 36 3HG2 THR 5 HG2 THR 5 -10.812 7.126 6.339 37 HA PRO 6 HA PRO 6 -10.858 0.978 2.937 38 1HB PRO 6 HB3 PRO 6 -13.948 1.042 2.916 39 2HB PRO 6 HB2 PRO 6 -12.860 -0.392 2.977 40 1HG PRO 6 HG3 PRO 6 -13.995 0.441 5.279 41 2HG PRO 6 HG2 PRO 6 -12.190 0.208 5.270 42 1HD PRO 6 HD3 PRO 6 -13.667 2.868 4.832 43 2HD PRO 6 HD2 PRO 6 -12.390 2.421 6.069 44 H LYS 7 HN LYS 7 -12.584 3.834 2.159 45 HA LYS 7 HA LYS 7 -13.118 3.532 -0.625 46 1HB LYS 7 HB3 LYS 7 -14.365 5.068 0.927 47 2HB LYS 7 HB2 LYS 7 -12.896 6.097 1.099 48 1HG LYS 7 HG3 LYS 7 -13.057 6.666 -1.331 49 2HG LYS 7 HG2 LYS 7 -14.456 5.554 -1.499 50 1HD LYS 7 HD3 LYS 7 -15.760 6.923 0.122 51 2HD LYS 7 HD2 LYS 7 -14.324 7.966 0.418 52 1HE LYS 7 HE3 LYS 7 -14.387 8.778 -1.948 53 2HE LYS 7 HE2 LYS 7 -15.823 7.721 -2.276 54 1HZ LYS 7 HZ1 LYS 7 -17.017 8.913 -0.568 55 2HZ LYS 7 HZ2 LYS 7 -15.673 9.903 -0.260 56 3HZ LYS 7 HZ3 LYS 7 -16.448 9.969 -1.769 57 H ASP 8 HN ASP 8 -10.110 4.124 1.093 58 HA ASP 8 HA ASP 8 -8.845 5.550 -1.140 59 1HB ASP 8 HB3 ASP 8 -7.947 4.749 1.699 60 2HB ASP 8 HB2 ASP 8 -6.877 5.624 0.538 61 H CYS 9 HN CYS 9 -9.481 2.240 -0.552 62 HA CYS 9 HA CYS 9 -6.853 1.537 -1.732 63 1HB CYS 9 HB3 CYS 9 -7.544 0.840 0.683 64 2HB CYS 9 HB2 CYS 9 -8.380 -0.509 -0.091 65 H ALA 10 HN ALA 10 -9.864 1.968 -2.834 66 HA ALA 10 HA ALA 10 -10.563 -0.208 -4.321 67 1HB ALA 10 HB1 ALA 10 -10.980 2.786 -4.918 68 2HB ALA 10 HB2 ALA 10 -11.959 1.422 -5.576 69 3HB ALA 10 HB3 ALA 10 -11.968 1.773 -3.817 70 H ASP 11 HN ASP 11 -8.480 2.534 -5.281 71 HA ASP 11 HA ASP 11 -7.833 1.467 -7.873 72 1HB ASP 11 HB2 ASP 11 -6.841 3.975 -6.424 73 2HB ASP 11 HB3 ASP 11 -6.482 3.554 -8.147 74 HA PRO 12 HA PRO 12 -3.617 0.028 -6.138 75 1HB PRO 12 HB3 PRO 12 -3.312 -0.291 -3.336 76 2HB PRO 12 HB2 PRO 12 -2.801 1.167 -4.226 77 1HG PRO 12 HG3 PRO 12 -5.415 0.597 -2.848 78 2HG PRO 12 HG2 PRO 12 -4.404 2.061 -2.567 79 1HD PRO 12 HD2 PRO 12 -6.586 2.159 -4.188 80 2HD PRO 12 HD3 PRO 12 -5.049 2.944 -4.753 81 H CYS 13 HN CYS 13 -6.771 -0.962 -4.375 82 HA CYS 13 HA CYS 13 -5.925 -3.692 -4.490 83 1HB CYS 13 HB2 CYS 13 -7.350 -2.993 -2.620 84 2HB CYS 13 HB3 CYS 13 -8.739 -2.907 -3.719 85 H ARG 14 HN ARG 14 -7.564 -1.622 -6.802 86 HA ARG 14 HA ARG 14 -8.290 -3.624 -8.692 87 1HB ARG 14 HB3 ARG 14 -9.102 -1.185 -8.712 88 2HB ARG 14 HB2 ARG 14 -7.427 -0.653 -8.964 89 1HG ARG 14 HG3 ARG 14 -8.574 -0.403 -10.959 90 2HG ARG 14 HG2 ARG 14 -7.327 -1.687 -11.192 91 1HD ARG 14 HD2 ARG 14 -9.460 -2.305 -12.371 92 2HD ARG 14 HD3 ARG 14 -9.224 -3.426 -11.005 93 HE ARG 14 HE ARG 14 -11.168 -2.475 -9.932 94 HH1 ARG 14 HH1 ARG 14 -13.407 -0.240 -11.362 95 HH1 ARG 14 HH1 ARG 14 -13.143 -1.356 -10.055 96 HH2 ARG 14 HH2 ARG 14 -11.825 0.224 -12.789 97 HH2 ARG 14 HH2 ARG 14 -10.261 -0.523 -12.649 98 H LYS 15 HN LYS 15 -5.233 -2.565 -7.645 99 HA LYS 15 HA LYS 15 -3.875 -3.479 -10.050 100 1HB LYS 15 HB2 LYS 15 -2.854 -1.884 -7.618 101 2HB LYS 15 HB3 LYS 15 -1.806 -2.383 -8.967 102 1HG LYS 15 HG3 LYS 15 -4.216 -0.524 -9.121 103 2HG LYS 15 HG2 LYS 15 -2.485 -0.046 -9.174 104 1HD LYS 15 HD3 LYS 15 -2.347 -1.362 -11.393 105 2HD LYS 15 HD2 LYS 15 -4.126 -1.656 -11.220 106 1HE LYS 15 HE3 LYS 15 -4.556 0.803 -11.212 107 2HE LYS 15 HE2 LYS 15 -2.790 1.108 -11.507 108 1HZ LYS 15 HZ1 LYS 15 -4.073 1.120 -13.520 109 2HZ LYS 15 HZ2 LYS 15 -2.982 -0.182 -13.526 110 3HZ LYS 15 HZ3 LYS 15 -4.632 -0.459 -13.236 111 H GLU 16 HN GLU 16 -3.837 -4.042 -6.432 112 HA GLU 16 HA GLU 16 -1.996 -6.267 -6.656 113 1HB GLU 16 HB3 GLU 16 -2.092 -6.670 -4.216 114 2HB GLU 16 HB2 GLU 16 -1.761 -4.955 -4.532 115 1HG GLU 16 HG2 GLU 16 -4.245 -4.584 -4.259 116 2HG GLU 16 HG3 GLU 16 -4.474 -6.256 -3.646 117 H THR 17 HN THR 17 -5.565 -6.111 -6.401 118 HA THR 17 HA THR 17 -5.518 -9.069 -6.757 119 HB THR 17 HB THR 17 -7.812 -9.322 -6.100 120 HG1 THR 17 HG1 THR 17 -7.771 -6.717 -4.994 121 H GLY 18 HN GLY 18 -7.236 -6.055 -7.637 122 1HA GLY 18 HA1 GLY 18 -7.601 -5.571 -10.014 123 2HA GLY 18 HA2 GLY 18 -8.138 -7.247 -10.207 124 H CYS 19 HN CYS 19 -9.238 -6.911 -7.282 125 HA CYS 19 HA CYS 19 -11.863 -5.796 -8.160 126 1HB CYS 19 HB2 CYS 19 -11.131 -7.834 -5.945 127 2HB CYS 19 HB3 CYS 19 -12.791 -7.257 -6.302 128 HA PRO 20 HA PRO 20 -10.722 -2.650 -5.185 129 1HB PRO 20 HB2 PRO 20 -12.622 -0.796 -5.876 130 2HB PRO 20 HB3 PRO 20 -11.371 -1.286 -7.061 131 1HG PRO 20 HG2 PRO 20 -14.229 -2.335 -6.699 132 2HG PRO 20 HG3 PRO 20 -13.534 -1.640 -8.209 133 1HD PRO 20 HD2 PRO 20 -13.541 -4.388 -7.659 134 2HD PRO 20 HD3 PRO 20 -12.151 -3.620 -8.533 135 H TYR 21 HN TYR 21 -11.884 -4.816 -4.088 136 HA TYR 21 HA TYR 21 -14.193 -4.071 -2.336 137 1HB TYR 21 HB2 TYR 21 -13.112 -6.827 -3.354 138 2HB TYR 21 HB3 TYR 21 -14.307 -6.784 -2.081 139 HD1 TYR 21 HD1 TYR 21 -15.826 -8.034 -3.013 140 HD2 TYR 21 HD2 TYR 21 -14.593 -4.552 -5.225 141 HE1 TYR 21 HE1 TYR 21 -17.598 -8.427 -4.642 142 HE2 TYR 21 HE2 TYR 21 -16.328 -4.950 -6.860 143 HH TYR 21 HH TYR 21 -18.460 -7.813 -6.646 144 H GLY 22 HN GLY 22 -12.553 -2.849 -0.838 145 1HA GLY 22 HA1 GLY 22 -11.096 -4.893 0.815 146 2HA GLY 22 HA2 GLY 22 -10.285 -3.387 0.288 147 H LYS 23 HN LYS 23 -10.590 -4.527 3.010 148 HA LYS 23 HA LYS 23 -12.315 -2.510 4.288 149 1HB LYS 23 HB3 LYS 23 -11.593 -5.420 5.056 150 2HB LYS 23 HB2 LYS 23 -12.299 -4.242 6.218 151 1HG LYS 23 HG3 LYS 23 -14.347 -4.023 4.821 152 2HG LYS 23 HG2 LYS 23 -13.708 -5.252 3.677 153 1HD LYS 23 HD3 LYS 23 -15.254 -6.322 5.160 154 2HD LYS 23 HD2 LYS 23 -13.609 -6.933 5.537 155 1HE LYS 23 HE3 LYS 23 -13.551 -5.467 7.602 156 2HE LYS 23 HE2 LYS 23 -15.152 -4.763 7.142 157 1HZ LYS 23 HZ1 LYS 23 -14.606 -7.615 7.770 158 2HZ LYS 23 HZ2 LYS 23 -15.349 -6.475 8.786 159 3HZ LYS 23 HZ3 LYS 23 -16.111 -6.952 7.345 160 H CYS 24 HN CYS 24 -11.331 -1.436 6.061 161 HA CYS 24 HA CYS 24 -8.392 -1.507 6.078 162 1HB CYS 24 HB3 CYS 24 -9.867 0.553 5.364 163 2HB CYS 24 HB2 CYS 24 -10.148 0.816 7.088 164 H MET 25 HN MET 25 -7.601 -2.738 7.667 165 HA MET 25 HA MET 25 -8.514 -2.342 10.456 166 1HB MET 25 HB2 MET 25 -7.972 -5.062 9.055 167 2HB MET 25 HB3 MET 25 -8.033 -4.860 10.835 168 1HG MET 25 HG2 MET 25 -10.349 -4.225 8.944 169 2HG MET 25 HG3 MET 25 -10.121 -5.785 9.774 170 1HE MET 25 HE1 MET 25 -9.279 -5.427 12.645 171 2HE MET 25 HE2 MET 25 -10.879 -5.258 13.440 172 3HE MET 25 HE3 MET 25 -10.685 -6.372 12.048 173 H ASN 26 HN ASN 26 -6.713 -1.725 11.634 174 HA ASN 26 HA ASN 26 -4.678 -0.944 12.011 175 1HB ASN 26 HB2 ASN 26 -4.022 -3.822 11.150 176 2HB ASN 26 HB3 ASN 26 -2.723 -2.745 11.783 177 1HD2 ASN 26 HD2 ASN 26 -2.913 -1.846 13.889 178 2HD2 ASN 26 HD2 ASN 26 -4.070 -2.459 15.044 179 H ARG 27 HN ARG 27 -5.587 0.069 9.743 180 HA ARG 27 HA ARG 27 -5.335 1.156 7.918 181 1HB ARG 27 HB2 ARG 27 -3.378 2.635 7.573 182 2HB ARG 27 HB3 ARG 27 -4.321 2.826 9.059 183 1HG ARG 27 HG3 ARG 27 -1.881 1.053 9.142 184 2HG ARG 27 HG2 ARG 27 -1.659 2.833 9.025 185 1HD ARG 27 HD2 ARG 27 -2.933 3.205 11.145 186 2HD ARG 27 HD3 ARG 27 -3.278 1.433 11.286 187 HE ARG 27 HE ARG 27 -0.445 2.424 10.991 188 1HH1 ARG 27 HH1 ARG 27 -2.806 1.041 13.060 189 2HH1 ARG 27 HH1 ARG 27 -1.641 0.492 14.244 190 1HH2 ARG 27 HH2 ARG 27 1.034 1.605 12.362 191 2HH2 ARG 27 HH2 ARG 27 0.554 0.586 13.687 192 H LYS 28 HN LYS 28 -4.809 -1.658 7.667 193 HA LYS 28 HA LYS 28 -3.399 -1.720 5.060 194 1HB LYS 28 HB2 LYS 28 -3.776 -3.934 7.206 195 2HB LYS 28 HB3 LYS 28 -3.204 -4.278 5.567 196 1HG LYS 28 HG3 LYS 28 -1.769 -2.432 7.549 197 2HG LYS 28 HG2 LYS 28 -1.396 -4.153 7.212 198 1HD LYS 28 HD3 LYS 28 -1.160 -1.862 5.143 199 2HD LYS 28 HD2 LYS 28 0.175 -2.691 6.008 200 1HE LYS 28 HE3 LYS 28 -0.446 -4.867 4.883 201 2HE LYS 28 HE2 LYS 28 -1.768 -4.015 3.988 202 1HZ LYS 28 HZ1 LYS 28 -0.136 -2.608 2.968 203 2HZ LYS 28 HZ2 LYS 28 1.124 -3.392 3.795 204 3HZ LYS 28 HZ3 LYS 28 0.186 -4.248 2.666 205 H CYS 29 HN CYS 29 -4.372 -2.560 3.277 206 HA CYS 29 HA CYS 29 -7.239 -2.921 3.390 207 1HB CYS 29 HB3 CYS 29 -5.871 -3.211 0.688 208 2HB CYS 29 HB2 CYS 29 -7.370 -2.476 1.242 209 H LYS 30 HN LYS 30 -7.851 -4.778 4.124 210 HA LYS 30 HA LYS 30 -6.750 -7.356 3.299 211 1HB LYS 30 HB3 LYS 30 -8.989 -6.629 5.305 212 2HB LYS 30 HB2 LYS 30 -8.231 -8.243 5.101 213 1HG LYS 30 HG2 LYS 30 -6.809 -5.678 6.095 214 2HG LYS 30 HG3 LYS 30 -7.440 -6.986 7.134 215 1HD LYS 30 HD3 LYS 30 -5.261 -7.429 4.988 216 2HD LYS 30 HD2 LYS 30 -4.903 -6.966 6.676 217 1HE LYS 30 HE2 LYS 30 -6.447 -9.542 5.960 218 2HE LYS 30 HE3 LYS 30 -4.666 -9.429 6.256 219 1HZ LYS 30 HZ1 LYS 30 -5.858 -10.078 8.216 220 2HZ LYS 30 HZ2 LYS 30 -5.114 -8.568 8.442 221 3HZ LYS 30 HZ3 LYS 30 -6.791 -8.660 8.184 222 H CYS 31 HN CYS 31 -7.425 -7.851 1.243 223 HA CYS 31 HA CYS 31 -9.897 -6.648 0.289 224 1HB CYS 31 HB3 CYS 31 -7.440 -6.316 -0.636 225 2HB CYS 31 HB2 CYS 31 -7.772 -7.807 -1.527 226 H ASN 32 HN ASN 32 -11.454 -7.552 -0.987 227 HA ASN 32 HA ASN 32 -11.797 -10.507 -0.931 228 1HB ASN 32 HB3 ASN 32 -13.698 -8.111 -0.712 229 2HB ASN 32 HB2 ASN 32 -14.359 -9.464 -1.634 230 1HD2 ASN 32 HD2 ASN 32 -15.397 -11.133 -0.393 231 2HD2 ASN 32 HD2 ASN 32 -15.173 -11.168 1.347 232 H ARG 33 HN ARG 33 -13.044 -11.333 -2.542 233 HA ARG 33 HA ARG 33 -11.867 -11.099 -5.102 234 1HB ARG 33 HB3 ARG 33 -13.421 -13.417 -4.928 235 2HB ARG 33 HB2 ARG 33 -11.811 -13.219 -4.225 236 1HG ARG 33 HG3 ARG 33 -13.175 -14.381 -2.757 237 2HG ARG 33 HG2 ARG 33 -12.911 -12.851 -1.924 238 1HD ARG 33 HD2 ARG 33 -15.468 -13.817 -3.411 239 2HD ARG 33 HD3 ARG 33 -15.164 -13.826 -1.619 240 HE ARG 33 HE ARG 33 -15.092 -11.155 -3.055 241 1HH1 ARG 33 HH1 ARG 33 -17.235 -13.353 -1.340 242 2HH1 ARG 33 HH1 ARG 33 -18.575 -12.288 -1.587 243 1HH2 ARG 33 HH2 ARG 33 -16.720 -10.065 -3.459 244 2HH2 ARG 33 HH2 ARG 33 -18.229 -10.304 -2.590 245 H CYS 34 HN CYS 34 -13.110 -11.179 -7.146 246 HA CYS 34 HA CYS 34 -15.905 -10.772 -7.167 247 1HB CYS 34 HB3 CYS 34 -15.997 -8.642 -8.253 248 2HB CYS 34 HB2 CYS 34 -14.973 -8.379 -6.818 249 1HN NH2 35 HT1 CYS 34 -16.537 -10.959 -9.647 250 2HN NH2 35 HT2 CYS 34 -15.382 -11.799 -10.654
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