NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
618853 | 5v4u | 30271 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 7.501 -11.172 4.654 2 H2 GLY 1 HT2 GLY 1 8.253 -11.645 6.102 3 H3 GLY 1 HT3 GLY 1 6.563 -11.721 5.956 4 HA2 GLY 1 HA2 GLY 1 8.292 -13.265 4.134 5 HA3 GLY 1 HA1 GLY 1 7.897 -13.885 5.737 6 H SER 2 HN SER 2 5.858 -14.653 6.152 7 HA SER 2 HA SER 2 4.272 -15.542 4.000 8 HB2 SER 2 HB2 SER 2 4.262 -16.648 6.187 9 HB3 SER 2 HB1 SER 2 3.540 -15.219 6.921 10 HG SER 2 HG SER 2 1.810 -16.406 6.440 11 H VAL 3 HN VAL 3 3.868 -12.815 6.237 12 HA VAL 3 HA VAL 3 1.407 -11.952 4.999 13 HB VAL 3 HB VAL 3 1.563 -10.050 6.536 14 HG11 VAL 3 HG11 VAL 3 1.723 -11.388 8.677 15 HG12 VAL 3 HG12 VAL 3 2.256 -12.760 7.704 16 HG13 VAL 3 HG13 VAL 3 0.646 -12.080 7.463 17 HG21 VAL 3 HG21 VAL 3 4.317 -11.194 7.089 18 HG22 VAL 3 HG22 VAL 3 3.532 -9.997 8.118 19 HG23 VAL 3 HG23 VAL 3 3.940 -9.595 6.449 20 H LYS 4 HN LYS 4 4.578 -11.798 4.049 21 HA LYS 4 HA LYS 4 5.772 -10.474 2.590 22 HB2 LYS 4 HB2 LYS 4 2.944 -10.099 1.588 23 HB3 LYS 4 HB1 LYS 4 4.364 -9.499 0.728 24 HG2 LYS 4 HG2 LYS 4 5.283 -11.783 0.642 25 HG3 LYS 4 HG1 LYS 4 3.864 -12.387 1.499 26 HD2 LYS 4 HD2 LYS 4 2.412 -11.637 -0.328 27 HD3 LYS 4 HD1 LYS 4 3.806 -10.969 -1.181 28 HE2 LYS 4 HE2 LYS 4 3.249 -13.174 -2.094 29 HE3 LYS 4 HE1 LYS 4 4.810 -13.238 -1.275 30 HZ1 LYS 4 HZ1 LYS 4 3.995 -14.507 0.387 31 HZ2 LYS 4 HZ2 LYS 4 2.889 -14.981 -0.812 32 HZ3 LYS 4 HZ3 LYS 4 2.452 -13.808 0.336 33 H LYS 5 HN LYS 5 3.547 -8.143 1.719 34 HA LYS 5 HA LYS 5 4.403 -6.276 3.841 35 HB2 LYS 5 HB2 LYS 5 4.534 -5.853 0.855 36 HB3 LYS 5 HB1 LYS 5 4.650 -4.538 2.026 37 HG2 LYS 5 HG2 LYS 5 6.576 -5.636 3.087 38 HG3 LYS 5 HG1 LYS 5 6.459 -6.969 1.937 39 HD2 LYS 5 HD2 LYS 5 6.911 -5.457 0.079 40 HD3 LYS 5 HD1 LYS 5 6.921 -4.073 1.174 41 HE2 LYS 5 HE2 LYS 5 9.221 -4.799 0.681 42 HE3 LYS 5 HE1 LYS 5 8.842 -5.046 2.384 43 HZ1 LYS 5 HZ1 LYS 5 9.895 -6.931 0.867 44 HZ2 LYS 5 HZ2 LYS 5 8.252 -7.250 0.572 45 HZ3 LYS 5 HZ3 LYS 5 8.854 -7.279 2.161 46 H LEU 6 HN LEU 6 2.778 -4.754 4.474 47 HA LEU 6 HA LEU 6 0.170 -4.998 3.076 48 HB2 LEU 6 HB2 LEU 6 0.682 -4.239 5.960 49 HB3 LEU 6 HB1 LEU 6 -0.877 -4.580 5.207 50 HG LEU 6 HG LEU 6 1.400 -6.551 5.558 51 HD11 LEU 6 HD11 LEU 6 0.296 -6.109 7.664 52 HD12 LEU 6 HD12 LEU 6 -0.250 -7.680 7.079 53 HD13 LEU 6 HD13 LEU 6 -1.293 -6.267 6.917 54 HD21 LEU 6 HD21 LEU 6 -1.265 -6.706 4.147 55 HD22 LEU 6 HD22 LEU 6 -0.543 -8.158 4.844 56 HD23 LEU 6 HD23 LEU 6 0.314 -7.261 3.595 57 H ASN 7 HN ASN 7 2.755 -2.957 3.966 58 HA ASN 7 HA ASN 7 1.389 -0.472 4.152 59 HB2 ASN 7 HB2 ASN 7 4.257 -1.101 3.417 60 HB3 ASN 7 HB1 ASN 7 3.636 0.520 3.723 61 HD21 ASN 7 HD21 ASN 7 2.216 0.475 5.961 62 HD22 ASN 7 HD22 ASN 7 3.037 -0.247 7.260 63 H ASP 8 HN ASP 8 2.082 -2.529 1.530 64 HA ASP 8 HA ASP 8 2.466 -0.739 -0.586 65 HB2 ASP 8 HB2 ASP 8 1.550 -2.544 -2.014 66 HB3 ASP 8 HB1 ASP 8 2.734 -3.149 -0.857 67 H GLU 9 HN GLU 9 -0.436 -1.617 1.172 68 HA GLU 9 HA GLU 9 -2.338 -0.648 -0.704 69 HB2 GLU 9 HB2 GLU 9 -3.933 -0.814 1.073 70 HB3 GLU 9 HB1 GLU 9 -2.802 -2.145 1.302 71 HG2 GLU 9 HG2 GLU 9 -1.510 -0.557 2.860 72 HG3 GLU 9 HG1 GLU 9 -2.939 0.464 2.816 73 H VAL 10 HN VAL 10 -0.655 0.865 2.030 74 HA VAL 10 HA VAL 10 -1.999 3.336 1.916 75 HB VAL 10 HB VAL 10 0.698 2.553 3.063 76 HG11 VAL 10 HG11 VAL 10 0.870 4.866 2.596 77 HG12 VAL 10 HG12 VAL 10 0.400 4.763 4.290 78 HG13 VAL 10 HG13 VAL 10 -0.800 5.163 3.065 79 HG21 VAL 10 HG21 VAL 10 -0.570 2.867 5.201 80 HG22 VAL 10 HG22 VAL 10 -1.189 1.544 4.213 81 HG23 VAL 10 HG23 VAL 10 -2.038 3.090 4.250 82 H ALA 11 HN ALA 11 0.892 2.076 0.324 83 HA ALA 11 HA ALA 11 1.848 4.500 -0.743 84 HB1 ALA 11 HB1 ALA 11 3.172 2.418 -0.754 85 HB2 ALA 11 HB2 ALA 11 3.037 3.096 -2.375 86 HB3 ALA 11 HB3 ALA 11 2.048 1.710 -1.919 87 H LEU 12 HN LEU 12 -0.485 2.140 -1.998 88 HA LEU 12 HA LEU 12 -0.852 3.389 -4.505 89 HB2 LEU 12 HB2 LEU 12 -1.556 1.073 -4.097 90 HB3 LEU 12 HB1 LEU 12 -2.770 1.621 -2.952 91 HG LEU 12 HG LEU 12 -3.882 2.913 -4.756 92 HD11 LEU 12 HD11 LEU 12 -3.051 2.126 -7.147 93 HD12 LEU 12 HD12 LEU 12 -1.517 1.898 -6.311 94 HD13 LEU 12 HD13 LEU 12 -2.280 3.489 -6.342 95 HD21 LEU 12 HD21 LEU 12 -4.701 0.686 -4.335 96 HD22 LEU 12 HD22 LEU 12 -3.382 -0.033 -5.256 97 HD23 LEU 12 HD23 LEU 12 -4.633 0.894 -6.085 98 H GLU 13 HN GLU 13 -2.432 3.808 -1.373 99 HA GLU 13 HA GLU 13 -4.514 5.498 -2.264 100 HB2 GLU 13 HB2 GLU 13 -3.175 5.169 0.426 101 HB3 GLU 13 HB1 GLU 13 -4.566 6.221 0.165 102 HG2 GLU 13 HG2 GLU 13 -4.540 3.266 -0.527 103 HG3 GLU 13 HG1 GLU 13 -5.168 3.913 0.983 104 H ARG 14 HN ARG 14 -1.225 6.152 -1.153 105 HA ARG 14 HA ARG 14 -1.440 8.959 -1.035 106 HB2 ARG 14 HB2 ARG 14 0.918 7.126 -1.514 107 HB3 ARG 14 HB1 ARG 14 1.084 8.868 -1.310 108 HG2 ARG 14 HG2 ARG 14 -0.433 7.257 0.741 109 HG3 ARG 14 HG1 ARG 14 1.327 7.291 0.784 110 HD2 ARG 14 HD2 ARG 14 1.293 9.744 0.912 111 HD3 ARG 14 HD1 ARG 14 -0.460 9.745 0.832 112 HE ARG 14 HE ARG 14 0.474 8.131 2.995 113 HH11 ARG 14 HH11 ARG 14 0.180 8.973 5.084 114 HH12 ARG 14 HH12 ARG 14 -0.145 10.661 5.293 115 HH21 ARG 14 HH21 ARG 14 -0.054 11.363 1.897 116 HH22 ARG 14 HH22 ARG 14 -0.278 12.018 3.485 117 H LEU 15 HN LEU 15 -0.560 6.769 -3.670 118 HA LEU 15 HA LEU 15 0.163 8.772 -5.532 119 HB2 LEU 15 HB2 LEU 15 -0.809 5.931 -5.881 120 HB3 LEU 15 HB1 LEU 15 -0.320 6.941 -7.235 121 HG LEU 15 HG LEU 15 1.449 6.426 -4.826 122 HD11 LEU 15 HD11 LEU 15 1.320 4.951 -7.476 123 HD12 LEU 15 HD12 LEU 15 0.958 4.286 -5.882 124 HD13 LEU 15 HD13 LEU 15 2.608 4.764 -6.286 125 HD21 LEU 15 HD21 LEU 15 3.188 6.955 -6.746 126 HD22 LEU 15 HD22 LEU 15 2.352 8.279 -5.955 127 HD23 LEU 15 HD23 LEU 15 1.811 7.718 -7.534 128 H LYS 16 HN LYS 16 -2.910 7.270 -4.698 129 HA LYS 16 HA LYS 16 -4.405 8.412 -6.840 130 HB2 LYS 16 HB2 LYS 16 -5.211 6.462 -5.552 131 HB3 LYS 16 HB1 LYS 16 -5.398 7.475 -4.125 132 HG2 LYS 16 HG2 LYS 16 -7.009 8.893 -5.321 133 HG3 LYS 16 HG1 LYS 16 -6.809 7.900 -6.766 134 HD2 LYS 16 HD2 LYS 16 -7.611 5.927 -5.522 135 HD3 LYS 16 HD1 LYS 16 -7.821 6.923 -4.081 136 HE2 LYS 16 HE2 LYS 16 -9.445 8.330 -5.278 137 HE3 LYS 16 HE1 LYS 16 -9.228 7.353 -6.731 138 HZ1 LYS 16 HZ1 LYS 16 -10.537 6.653 -4.198 139 HZ2 LYS 16 HZ2 LYS 16 -9.819 5.423 -5.123 140 HZ3 LYS 16 HZ3 LYS 16 -11.055 6.378 -5.789 141 H ASN 17 HN ASN 17 -3.653 9.480 -3.550 142 HA ASN 17 HA ASN 17 -5.367 11.713 -3.473 143 HB2 ASN 17 HB2 ASN 17 -4.218 10.749 -1.501 144 HB3 ASN 17 HB1 ASN 17 -2.684 11.357 -2.124 145 HD21 ASN 17 HD21 ASN 17 -4.916 12.112 0.143 146 HD22 ASN 17 HD22 ASN 17 -4.823 13.806 0.109 147 H GLU 18 HN GLU 18 -2.039 11.316 -4.611 148 HA GLU 18 HA GLU 18 -1.500 14.045 -5.103 149 HB2 GLU 18 HB2 GLU 18 -0.412 11.533 -6.400 150 HB3 GLU 18 HB1 GLU 18 0.215 13.149 -6.719 151 HG2 GLU 18 HG2 GLU 18 0.771 13.453 -4.369 152 HG3 GLU 18 HG1 GLU 18 0.035 11.904 -3.964 153 H ARG 19 HN ARG 19 -2.878 11.508 -7.168 154 HA ARG 19 HA ARG 19 -3.081 13.098 -9.513 155 HB2 ARG 19 HB2 ARG 19 -4.614 10.635 -8.640 156 HB3 ARG 19 HB1 ARG 19 -4.737 11.364 -10.241 157 HG2 ARG 19 HG2 ARG 19 -2.320 11.064 -10.583 158 HG3 ARG 19 HG1 ARG 19 -2.175 10.350 -8.977 159 HD2 ARG 19 HD2 ARG 19 -2.301 8.551 -10.591 160 HD3 ARG 19 HD1 ARG 19 -3.810 8.584 -9.683 161 HE ARG 19 HE ARG 19 -4.069 10.178 -12.013 162 HH11 ARG 19 HH11 ARG 19 -5.223 9.326 -13.772 163 HH12 ARG 19 HH12 ARG 19 -5.477 7.616 -13.887 164 HH21 ARG 19 HH21 ARG 19 -3.779 6.899 -10.949 165 HH22 ARG 19 HH22 ARG 19 -4.660 6.241 -12.288 166 H HIS 20 HN HIS 20 -5.267 12.484 -6.810 167 HA HIS 20 HA HIS 20 -7.564 13.725 -7.846 168 HB2 HIS 20 HB2 HIS 20 -7.637 12.345 -5.834 169 HB3 HIS 20 HB1 HIS 20 -6.630 13.509 -4.974 170 HD2 HIS 20 HD2 HIS 20 -8.091 15.487 -3.705 171 HE1 HIS 20 HE1 HIS 20 -11.723 14.972 -5.793 172 HE2 HIS 20 HE2 HIS 20 -10.583 16.238 -3.911 173 H VAL 21 HN VAL 21 -4.871 15.073 -5.944 174 HA VAL 21 HA VAL 21 -5.887 17.667 -5.670 175 HB VAL 21 HB VAL 21 -3.077 16.554 -5.706 176 HG11 VAL 21 HG11 VAL 21 -4.078 19.367 -5.299 177 HG12 VAL 21 HG12 VAL 21 -2.782 18.804 -6.350 178 HG13 VAL 21 HG13 VAL 21 -2.554 18.817 -4.605 179 HG21 VAL 21 HG21 VAL 21 -4.647 17.742 -3.401 180 HG22 VAL 21 HG22 VAL 21 -3.216 16.716 -3.331 181 HG23 VAL 21 HG23 VAL 21 -4.764 16.033 -3.813 182 H HIS 22 HN HIS 22 -3.839 16.185 -8.158 183 HA HIS 22 HA HIS 22 -3.364 18.511 -9.663 184 HB2 HIS 22 HB2 HIS 22 -2.093 16.443 -10.013 185 HB3 HIS 22 HB1 HIS 22 -3.532 15.641 -10.628 186 HD2 HIS 22 HD2 HIS 22 -4.022 16.086 -13.332 187 HE1 HIS 22 HE1 HIS 22 -1.182 19.160 -13.899 188 HE2 HIS 22 HE2 HIS 22 -2.846 17.641 -15.071 189 H ASP 23 HN ASP 23 -6.050 16.197 -9.717 190 HA ASP 23 HA ASP 23 -7.313 17.102 -12.061 191 HB2 ASP 23 HB2 ASP 23 -8.426 15.844 -9.539 192 HB3 ASP 23 HB1 ASP 23 -9.392 16.153 -10.977 193 H GLU 24 HN GLU 24 -7.649 18.137 -8.676 194 HA GLU 24 HA GLU 24 -9.694 20.049 -9.183 195 HB2 GLU 24 HB2 GLU 24 -7.758 19.710 -6.872 196 HB3 GLU 24 HB1 GLU 24 -8.897 21.049 -6.946 197 HG2 GLU 24 HG2 GLU 24 -10.036 19.402 -5.711 198 HG3 GLU 24 HG1 GLU 24 -10.714 19.243 -7.320 199 H GLU 25 HN GLU 25 -6.169 20.230 -9.159 200 HA GLU 25 HA GLU 25 -5.915 23.035 -9.302 201 HB2 GLU 25 HB2 GLU 25 -4.026 21.515 -8.856 202 HB3 GLU 25 HB1 GLU 25 -4.102 20.919 -10.508 203 HG2 GLU 25 HG2 GLU 25 -3.628 23.152 -11.377 204 HG3 GLU 25 HG1 GLU 25 -3.643 23.810 -9.741 205 H VAL 26 HN VAL 26 -6.461 20.631 -11.843 206 HA VAL 26 HA VAL 26 -6.135 22.456 -14.012 207 HB VAL 26 HB VAL 26 -7.425 19.719 -13.828 208 HG11 VAL 26 HG11 VAL 26 -8.595 20.751 -15.615 209 HG12 VAL 26 HG12 VAL 26 -7.274 19.889 -16.403 210 HG13 VAL 26 HG13 VAL 26 -7.165 21.632 -16.154 211 HG21 VAL 26 HG21 VAL 26 -5.025 19.553 -13.690 212 HG22 VAL 26 HG22 VAL 26 -4.800 20.797 -14.912 213 HG23 VAL 26 HG23 VAL 26 -5.423 19.216 -15.369 214 H GLU 27 HN GLU 27 -8.862 21.300 -12.117 215 HA GLU 27 HA GLU 27 -10.885 22.511 -13.719 216 HB2 GLU 27 HB2 GLU 27 -10.809 21.452 -10.908 217 HB3 GLU 27 HB1 GLU 27 -12.223 22.339 -11.473 218 HG2 GLU 27 HG2 GLU 27 -12.725 20.737 -13.128 219 HG3 GLU 27 HG1 GLU 27 -11.124 20.027 -13.095 220 H LEU 28 HN LEU 28 -9.047 23.647 -10.918 221 HA LEU 28 HA LEU 28 -10.498 26.046 -10.526 222 HB2 LEU 28 HB2 LEU 28 -7.894 24.907 -9.648 223 HB3 LEU 28 HB1 LEU 28 -7.992 26.664 -9.604 224 HG LEU 28 HG LEU 28 -10.127 26.451 -8.285 225 HD11 LEU 28 HD11 LEU 28 -10.535 24.056 -9.099 226 HD12 LEU 28 HD12 LEU 28 -10.780 24.339 -7.379 227 HD13 LEU 28 HD13 LEU 28 -9.303 23.562 -7.940 228 HD21 LEU 28 HD21 LEU 28 -7.586 25.214 -7.203 229 HD22 LEU 28 HD22 LEU 28 -8.949 25.687 -6.189 230 HD23 LEU 28 HD23 LEU 28 -8.071 26.908 -7.112 231 H GLU 29 HN GLU 29 -8.162 25.094 -12.866 232 HA GLU 29 HA GLU 29 -7.057 27.560 -13.595 233 HB2 GLU 29 HB2 GLU 29 -6.315 25.340 -14.483 234 HB3 GLU 29 HB1 GLU 29 -7.766 25.308 -15.489 235 HG2 GLU 29 HG2 GLU 29 -7.079 27.393 -16.580 236 HG3 GLU 29 HG1 GLU 29 -5.645 27.468 -15.557 237 H ARG 30 HN ARG 30 -10.231 26.252 -14.117 238 HA ARG 30 HA ARG 30 -11.052 27.768 -16.320 239 HB2 ARG 30 HB2 ARG 30 -12.333 25.881 -15.226 240 HB3 ARG 30 HB1 ARG 30 -12.768 27.005 -13.948 241 HG2 ARG 30 HG2 ARG 30 -14.606 27.071 -15.440 242 HG3 ARG 30 HG1 ARG 30 -13.690 28.526 -15.811 243 HD2 ARG 30 HD2 ARG 30 -12.735 27.525 -17.774 244 HD3 ARG 30 HD1 ARG 30 -13.310 25.927 -17.318 245 HE ARG 30 HE ARG 30 -15.516 27.674 -17.583 246 HH11 ARG 30 HH11 ARG 30 -16.756 27.550 -19.481 247 HH12 ARG 30 HH12 ARG 30 -16.084 26.817 -20.900 248 HH21 ARG 30 HH21 ARG 30 -13.040 26.095 -19.400 249 HH22 ARG 30 HH22 ARG 30 -13.975 25.993 -20.855 250 H LEU 31 HN LEU 31 -11.011 28.540 -12.864 251 HA LEU 31 HA LEU 31 -12.387 30.991 -13.031 252 HB2 LEU 31 HB2 LEU 31 -11.994 29.849 -10.893 253 HB3 LEU 31 HB1 LEU 31 -10.260 30.123 -11.055 254 HG LEU 31 HG LEU 31 -10.636 32.566 -11.015 255 HD11 LEU 31 HD11 LEU 31 -12.752 32.994 -11.899 256 HD12 LEU 31 HD12 LEU 31 -13.065 33.189 -10.177 257 HD13 LEU 31 HD13 LEU 31 -13.514 31.689 -10.990 258 HD21 LEU 31 HD21 LEU 31 -10.190 31.536 -8.891 259 HD22 LEU 31 HD22 LEU 31 -11.851 30.959 -8.754 260 HD23 LEU 31 HD23 LEU 31 -11.503 32.684 -8.633 261 H LYS 32 HN LYS 32 -8.939 30.208 -13.231 262 HA LYS 32 HA LYS 32 -7.993 32.855 -13.411 263 HB2 LYS 32 HB2 LYS 32 -6.825 30.245 -14.395 264 HB3 LYS 32 HB1 LYS 32 -5.977 31.787 -14.499 265 HG2 LYS 32 HG2 LYS 32 -6.187 32.067 -12.059 266 HG3 LYS 32 HG1 LYS 32 -7.033 30.521 -11.955 267 HD2 LYS 32 HD2 LYS 32 -5.078 29.345 -12.812 268 HD3 LYS 32 HD1 LYS 32 -4.230 30.872 -13.050 269 HE2 LYS 32 HE2 LYS 32 -3.496 29.816 -10.961 270 HE3 LYS 32 HE1 LYS 32 -4.365 31.312 -10.615 271 HZ1 LYS 32 HZ1 LYS 32 -5.484 28.564 -10.494 272 HZ2 LYS 32 HZ2 LYS 32 -6.371 29.990 -10.236 273 HZ3 LYS 32 HZ3 LYS 32 -5.122 29.559 -9.169 274 H ASN 33 HN ASN 33 -9.241 30.628 -15.831 275 HA ASN 33 HA ASN 33 -8.417 32.028 -18.138 276 HB2 ASN 33 HB2 ASN 33 -10.753 30.175 -17.638 277 HB3 ASN 33 HB1 ASN 33 -10.372 30.838 -19.224 278 HD21 ASN 33 HD21 ASN 33 -10.239 28.018 -18.711 279 HD22 ASN 33 HD22 ASN 33 -8.614 27.539 -18.817 280 H GLU 34 HN GLU 34 -10.901 32.667 -15.826 281 HA GLU 34 HA GLU 34 -12.731 34.138 -17.333 282 HB2 GLU 34 HB2 GLU 34 -12.965 33.470 -14.909 283 HB3 GLU 34 HB1 GLU 34 -11.870 34.794 -14.509 284 HG2 GLU 34 HG2 GLU 34 -14.139 35.603 -14.269 285 HG3 GLU 34 HG1 GLU 34 -13.438 36.360 -15.698 286 H ARG 35 HN ARG 35 -9.524 34.942 -16.248 287 HA ARG 35 HA ARG 35 -9.559 37.724 -16.315 288 HB2 ARG 35 HB2 ARG 35 -7.175 37.615 -16.688 289 HB3 ARG 35 HB1 ARG 35 -7.617 36.287 -15.618 290 HG2 ARG 35 HG2 ARG 35 -7.819 34.860 -17.755 291 HG3 ARG 35 HG1 ARG 35 -6.973 36.172 -18.569 292 HD2 ARG 35 HD2 ARG 35 -5.935 34.728 -16.117 293 HD3 ARG 35 HD1 ARG 35 -5.432 34.379 -17.767 294 HE ARG 35 HE ARG 35 -5.030 37.097 -17.422 295 HH11 ARG 35 HH11 ARG 35 -3.008 37.914 -16.791 296 HH12 ARG 35 HH12 ARG 35 -1.896 36.896 -15.939 297 HH21 ARG 35 HH21 ARG 35 -4.004 34.143 -15.944 298 HH22 ARG 35 HH22 ARG 35 -2.460 34.759 -15.459 299 H HIS 36 HN HIS 36 -9.851 35.456 -18.905 300 HA HIS 36 HA HIS 36 -8.978 37.124 -21.042 301 HB2 HIS 36 HB2 HIS 36 -10.885 34.762 -20.997 302 HB3 HIS 36 HB1 HIS 36 -10.333 35.556 -22.470 303 HD2 HIS 36 HD2 HIS 36 -7.753 34.843 -23.287 304 HE1 HIS 36 HE1 HIS 36 -6.783 32.472 -19.931 305 HE2 HIS 36 HE2 HIS 36 -6.014 33.202 -22.239 306 H ASP 37 HN ASP 37 -11.901 36.897 -19.189 307 HA ASP 37 HA ASP 37 -13.690 38.158 -20.976 308 HB2 ASP 37 HB2 ASP 37 -14.439 36.942 -18.946 309 HB3 ASP 37 HB1 ASP 37 -13.756 38.214 -17.939 310 H HIS 38 HN HIS 38 -11.405 39.431 -18.596 311 HA HIS 38 HA HIS 38 -12.249 42.174 -18.999 312 HB2 HIS 38 HB2 HIS 38 -11.359 41.351 -16.818 313 HB3 HIS 38 HB1 HIS 38 -9.787 41.109 -17.581 314 HD2 HIS 38 HD2 HIS 38 -12.090 44.076 -16.432 315 HE1 HIS 38 HE1 HIS 38 -8.353 45.661 -17.591 316 HE2 HIS 38 HE2 HIS 38 -10.590 46.211 -16.521 317 H ASP 39 HN ASP 39 -9.921 39.980 -20.320 318 HA ASP 39 HA ASP 39 -8.152 41.912 -21.446 319 HB2 ASP 39 HB2 ASP 39 -7.529 39.521 -21.092 320 HB3 ASP 39 HB1 ASP 39 -8.625 39.070 -22.398 321 H TYR 40 HN TYR 40 -11.131 40.395 -22.532 322 HA TYR 40 HA TYR 40 -10.909 41.642 -25.184 323 HB2 TYR 40 HB2 TYR 40 -11.695 39.280 -24.944 324 HB3 TYR 40 HB1 TYR 40 -13.109 39.881 -24.073 325 HD1 TYR 40 HD1 TYR 40 -11.265 40.123 -27.302 326 HD2 TYR 40 HD2 TYR 40 -14.978 40.756 -25.238 327 HE1 TYR 40 HE1 TYR 40 -12.383 40.599 -29.462 328 HE2 TYR 40 HE2 TYR 40 -16.098 41.232 -27.398 329 HH TYR 40 HH TYR 40 -14.792 40.460 -30.351 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 3.923 -14.709 9.903 2 H2 GLY 1 HT2 GLY 1 2.513 -14.246 10.730 3 H3 GLY 1 HT3 GLY 1 3.667 -15.229 11.497 4 HA2 GLY 1 HA2 GLY 1 4.229 -13.243 12.419 5 HA3 GLY 1 HA1 GLY 1 5.243 -13.217 10.975 6 H SER 2 HN SER 2 5.066 -11.480 9.701 7 HA SER 2 HA SER 2 3.051 -9.482 10.230 8 HB2 SER 2 HB2 SER 2 5.290 -8.746 9.684 9 HB3 SER 2 HB1 SER 2 5.263 -9.647 8.171 10 HG SER 2 HG SER 2 3.233 -7.786 8.688 11 H VAL 3 HN VAL 3 1.155 -9.266 9.238 12 HA VAL 3 HA VAL 3 0.457 -11.064 7.045 13 HB VAL 3 HB VAL 3 -1.189 -9.081 8.632 14 HG11 VAL 3 HG11 VAL 3 -3.088 -10.437 7.535 15 HG12 VAL 3 HG12 VAL 3 -1.871 -10.983 6.380 16 HG13 VAL 3 HG13 VAL 3 -2.254 -9.267 6.514 17 HG21 VAL 3 HG21 VAL 3 -2.167 -11.168 9.578 18 HG22 VAL 3 HG22 VAL 3 -0.445 -11.028 9.930 19 HG23 VAL 3 HG23 VAL 3 -0.999 -12.113 8.654 20 H LYS 4 HN LYS 4 1.564 -7.870 7.453 21 HA LYS 4 HA LYS 4 1.822 -6.099 6.014 22 HB2 LYS 4 HB2 LYS 4 1.483 -8.322 3.985 23 HB3 LYS 4 HB1 LYS 4 1.999 -6.684 3.591 24 HG2 LYS 4 HG2 LYS 4 3.926 -6.922 5.112 25 HG3 LYS 4 HG1 LYS 4 3.414 -8.566 5.501 26 HD2 LYS 4 HD2 LYS 4 3.667 -9.219 3.144 27 HD3 LYS 4 HD1 LYS 4 4.149 -7.574 2.731 28 HE2 LYS 4 HE2 LYS 4 6.142 -8.969 2.991 29 HE3 LYS 4 HE1 LYS 4 6.078 -7.779 4.291 30 HZ1 LYS 4 HZ1 LYS 4 6.547 -10.229 4.862 31 HZ2 LYS 4 HZ2 LYS 4 4.874 -10.442 4.658 32 HZ3 LYS 4 HZ3 LYS 4 5.460 -9.359 5.829 33 H LYS 5 HN LYS 5 0.023 -7.330 3.433 34 HA LYS 5 HA LYS 5 -1.977 -6.751 2.482 35 HB2 LYS 5 HB2 LYS 5 -2.772 -7.855 4.668 36 HB3 LYS 5 HB1 LYS 5 -2.993 -6.220 5.289 37 HG2 LYS 5 HG2 LYS 5 -4.632 -5.710 3.613 38 HG3 LYS 5 HG1 LYS 5 -4.261 -7.173 2.703 39 HD2 LYS 5 HD2 LYS 5 -5.060 -8.493 4.657 40 HD3 LYS 5 HD1 LYS 5 -5.522 -6.982 5.441 41 HE2 LYS 5 HE2 LYS 5 -6.535 -7.872 2.726 42 HE3 LYS 5 HE1 LYS 5 -7.424 -8.079 4.235 43 HZ1 LYS 5 HZ1 LYS 5 -8.231 -6.063 3.792 44 HZ2 LYS 5 HZ2 LYS 5 -7.027 -5.713 2.646 45 HZ3 LYS 5 HZ3 LYS 5 -6.726 -5.472 4.302 46 H LEU 6 HN LEU 6 -3.699 -4.826 2.470 47 HA LEU 6 HA LEU 6 -4.111 -2.621 2.243 48 HB2 LEU 6 HB2 LEU 6 -2.093 -2.180 4.449 49 HB3 LEU 6 HB1 LEU 6 -3.445 -1.152 3.996 50 HG LEU 6 HG LEU 6 -3.706 -3.969 5.095 51 HD11 LEU 6 HD11 LEU 6 -4.746 -2.665 7.040 52 HD12 LEU 6 HD12 LEU 6 -3.990 -1.231 6.345 53 HD13 LEU 6 HD13 LEU 6 -2.991 -2.580 6.889 54 HD21 LEU 6 HD21 LEU 6 -6.147 -3.105 5.349 55 HD22 LEU 6 HD22 LEU 6 -5.612 -3.582 3.741 56 HD23 LEU 6 HD23 LEU 6 -5.684 -1.874 4.173 57 H ASN 7 HN ASN 7 -1.276 -4.062 1.520 58 HA ASN 7 HA ASN 7 0.380 -1.816 0.893 59 HB2 ASN 7 HB2 ASN 7 1.760 -3.419 -0.303 60 HB3 ASN 7 HB1 ASN 7 1.262 -4.111 1.240 61 HD21 ASN 7 HD21 ASN 7 2.023 -5.828 -0.884 62 HD22 ASN 7 HD22 ASN 7 0.649 -6.652 -1.443 63 H ASP 8 HN ASP 8 -2.135 -3.578 -0.773 64 HA ASP 8 HA ASP 8 -1.566 -2.384 -3.353 65 HB2 ASP 8 HB2 ASP 8 -2.579 -4.662 -3.066 66 HB3 ASP 8 HB1 ASP 8 -4.044 -3.876 -2.481 67 H GLU 9 HN GLU 9 -4.001 -2.016 -0.818 68 HA GLU 9 HA GLU 9 -5.524 -0.018 -2.125 69 HB2 GLU 9 HB2 GLU 9 -5.256 -0.732 0.818 70 HB3 GLU 9 HB1 GLU 9 -6.376 0.480 0.208 71 HG2 GLU 9 HG2 GLU 9 -7.639 -1.515 0.330 72 HG3 GLU 9 HG1 GLU 9 -7.247 -1.351 -1.378 73 H VAL 10 HN VAL 10 -2.760 0.168 0.085 74 HA VAL 10 HA VAL 10 -2.851 3.010 0.324 75 HB VAL 10 HB VAL 10 -1.773 1.426 1.966 76 HG11 VAL 10 HG11 VAL 10 -0.653 0.125 0.073 77 HG12 VAL 10 HG12 VAL 10 0.342 0.455 1.482 78 HG13 VAL 10 HG13 VAL 10 0.536 1.418 0.015 79 HG21 VAL 10 HG21 VAL 10 0.148 2.928 2.397 80 HG22 VAL 10 HG22 VAL 10 -1.307 3.839 1.995 81 HG23 VAL 10 HG23 VAL 10 -0.043 3.618 0.785 82 H ALA 11 HN ALA 11 -1.113 0.700 -1.707 83 HA ALA 11 HA ALA 11 0.655 2.537 -2.947 84 HB1 ALA 11 HB1 ALA 11 0.828 0.842 -4.745 85 HB2 ALA 11 HB2 ALA 11 -0.545 -0.020 -4.055 86 HB3 ALA 11 HB3 ALA 11 0.964 0.113 -3.145 87 H LEU 12 HN LEU 12 -2.627 1.494 -3.774 88 HA LEU 12 HA LEU 12 -2.752 3.086 -6.156 89 HB2 LEU 12 HB2 LEU 12 -4.932 1.718 -4.567 90 HB3 LEU 12 HB1 LEU 12 -5.157 2.480 -6.140 91 HG LEU 12 HG LEU 12 -3.182 0.245 -5.599 92 HD11 LEU 12 HD11 LEU 12 -5.887 0.129 -6.959 93 HD12 LEU 12 HD12 LEU 12 -5.551 -0.480 -5.339 94 HD13 LEU 12 HD13 LEU 12 -4.773 -1.218 -6.739 95 HD21 LEU 12 HD21 LEU 12 -3.495 0.150 -8.239 96 HD22 LEU 12 HD22 LEU 12 -2.365 1.280 -7.516 97 HD23 LEU 12 HD23 LEU 12 -3.951 1.842 -8.037 98 H GLU 13 HN GLU 13 -3.429 3.566 -2.790 99 HA GLU 13 HA GLU 13 -5.215 5.718 -2.979 100 HB2 GLU 13 HB2 GLU 13 -4.692 4.462 -0.886 101 HB3 GLU 13 HB1 GLU 13 -3.113 5.245 -0.849 102 HG2 GLU 13 HG2 GLU 13 -5.649 6.890 -1.008 103 HG3 GLU 13 HG1 GLU 13 -5.044 6.308 0.538 104 H ARG 14 HN ARG 14 -1.660 5.692 -2.707 105 HA ARG 14 HA ARG 14 -1.414 8.538 -2.881 106 HB2 ARG 14 HB2 ARG 14 0.994 8.065 -3.210 107 HB3 ARG 14 HB1 ARG 14 0.326 7.199 -1.826 108 HG2 ARG 14 HG2 ARG 14 -0.030 5.234 -3.350 109 HG3 ARG 14 HG1 ARG 14 0.898 6.086 -4.583 110 HD2 ARG 14 HD2 ARG 14 1.885 5.390 -1.804 111 HD3 ARG 14 HD1 ARG 14 2.308 4.516 -3.272 112 HE ARG 14 HE ARG 14 3.272 7.158 -2.473 113 HH11 ARG 14 HH11 ARG 14 4.975 7.962 -3.740 114 HH12 ARG 14 HH12 ARG 14 5.390 7.173 -5.225 115 HH21 ARG 14 HH21 ARG 14 2.935 4.743 -4.929 116 HH22 ARG 14 HH22 ARG 14 4.236 5.350 -5.897 117 H LEU 15 HN LEU 15 -1.282 5.880 -5.195 118 HA LEU 15 HA LEU 15 -0.348 7.348 -7.393 119 HB2 LEU 15 HB2 LEU 15 -0.448 4.893 -7.407 120 HB3 LEU 15 HB1 LEU 15 -2.200 4.945 -7.361 121 HG LEU 15 HG LEU 15 -2.237 6.129 -9.532 122 HD11 LEU 15 HD11 LEU 15 0.746 6.012 -9.118 123 HD12 LEU 15 HD12 LEU 15 -0.251 7.335 -9.721 124 HD13 LEU 15 HD13 LEU 15 0.105 5.964 -10.763 125 HD21 LEU 15 HD21 LEU 15 -0.543 3.625 -9.632 126 HD22 LEU 15 HD22 LEU 15 -1.614 4.236 -10.892 127 HD23 LEU 15 HD23 LEU 15 -2.290 3.629 -9.380 128 H LYS 16 HN LYS 16 -3.601 6.883 -6.100 129 HA LYS 16 HA LYS 16 -4.886 8.291 -8.265 130 HB2 LYS 16 HB2 LYS 16 -5.905 7.406 -5.543 131 HB3 LYS 16 HB1 LYS 16 -6.902 8.096 -6.819 132 HG2 LYS 16 HG2 LYS 16 -5.166 5.698 -7.424 133 HG3 LYS 16 HG1 LYS 16 -6.709 5.472 -6.604 134 HD2 LYS 16 HD2 LYS 16 -7.825 6.721 -8.465 135 HD3 LYS 16 HD1 LYS 16 -6.278 6.793 -9.303 136 HE2 LYS 16 HE2 LYS 16 -6.157 4.361 -9.367 137 HE3 LYS 16 HE1 LYS 16 -7.664 4.245 -8.454 138 HZ1 LYS 16 HZ1 LYS 16 -8.710 5.557 -10.283 139 HZ2 LYS 16 HZ2 LYS 16 -8.203 3.998 -10.727 140 HZ3 LYS 16 HZ3 LYS 16 -7.283 5.355 -11.176 141 H ASN 17 HN ASN 17 -3.491 9.077 -5.185 142 HA ASN 17 HA ASN 17 -4.805 11.515 -4.677 143 HB2 ASN 17 HB2 ASN 17 -3.312 10.251 -3.084 144 HB3 ASN 17 HB1 ASN 17 -1.934 10.857 -4.003 145 HD21 ASN 17 HD21 ASN 17 -1.106 12.291 -2.381 146 HD22 ASN 17 HD22 ASN 17 -1.968 13.646 -1.833 147 H GLU 18 HN GLU 18 -1.976 10.681 -6.601 148 HA GLU 18 HA GLU 18 -1.120 13.320 -7.203 149 HB2 GLU 18 HB2 GLU 18 -0.833 10.719 -8.728 150 HB3 GLU 18 HB1 GLU 18 -0.077 12.227 -9.243 151 HG2 GLU 18 HG2 GLU 18 0.302 11.048 -6.482 152 HG3 GLU 18 HG1 GLU 18 1.400 10.740 -7.826 153 H ARG 19 HN ARG 19 -3.458 11.199 -8.777 154 HA ARG 19 HA ARG 19 -3.966 12.831 -11.028 155 HB2 ARG 19 HB2 ARG 19 -5.670 10.774 -9.605 156 HB3 ARG 19 HB1 ARG 19 -6.164 11.565 -11.098 157 HG2 ARG 19 HG2 ARG 19 -3.451 10.242 -10.955 158 HG3 ARG 19 HG1 ARG 19 -4.886 9.251 -11.210 159 HD2 ARG 19 HD2 ARG 19 -5.492 10.671 -13.162 160 HD3 ARG 19 HD1 ARG 19 -4.013 11.593 -12.937 161 HE ARG 19 HE ARG 19 -3.319 8.890 -13.130 162 HH11 ARG 19 HH11 ARG 19 -2.557 8.095 -15.114 163 HH12 ARG 19 HH12 ARG 19 -2.913 8.950 -16.578 164 HH21 ARG 19 HH21 ARG 19 -4.715 11.452 -14.992 165 HH22 ARG 19 HH22 ARG 19 -4.135 10.852 -16.509 166 H HIS 20 HN HIS 20 -5.398 12.728 -7.817 167 HA HIS 20 HA HIS 20 -7.494 14.557 -8.301 168 HB2 HIS 20 HB2 HIS 20 -6.012 13.748 -5.799 169 HB3 HIS 20 HB1 HIS 20 -7.320 14.929 -5.762 170 HD2 HIS 20 HD2 HIS 20 -6.965 11.175 -5.505 171 HE1 HIS 20 HE1 HIS 20 -10.890 11.819 -6.913 172 HE2 HIS 20 HE2 HIS 20 -9.301 10.097 -5.936 173 H VAL 21 HN VAL 21 -4.115 15.045 -7.329 174 HA VAL 21 HA VAL 21 -4.281 17.765 -6.731 175 HB VAL 21 HB VAL 21 -2.007 16.026 -7.710 176 HG11 VAL 21 HG11 VAL 21 -0.620 18.002 -6.794 177 HG12 VAL 21 HG12 VAL 21 -2.100 18.943 -6.968 178 HG13 VAL 21 HG13 VAL 21 -1.368 18.187 -8.377 179 HG21 VAL 21 HG21 VAL 21 -2.801 15.488 -5.455 180 HG22 VAL 21 HG22 VAL 21 -2.778 17.191 -5.013 181 HG23 VAL 21 HG23 VAL 21 -1.268 16.343 -5.329 182 H HIS 22 HN HIS 22 -3.523 16.067 -9.751 183 HA HIS 22 HA HIS 22 -3.038 18.370 -11.305 184 HB2 HIS 22 HB2 HIS 22 -2.376 16.071 -11.975 185 HB3 HIS 22 HB1 HIS 22 -4.065 15.688 -12.277 186 HD2 HIS 22 HD2 HIS 22 -1.179 17.753 -13.919 187 HE1 HIS 22 HE1 HIS 22 -4.548 17.984 -16.453 188 HE2 HIS 22 HE2 HIS 22 -2.075 18.525 -16.247 189 H ASP 23 HN ASP 23 -5.997 16.584 -10.571 190 HA ASP 23 HA ASP 23 -7.689 17.847 -12.429 191 HB2 ASP 23 HB2 ASP 23 -8.244 16.584 -9.736 192 HB3 ASP 23 HB1 ASP 23 -9.511 17.191 -10.798 193 H GLU 24 HN GLU 24 -6.722 18.676 -9.182 194 HA GLU 24 HA GLU 24 -8.461 20.927 -8.859 195 HB2 GLU 24 HB2 GLU 24 -5.952 20.043 -7.419 196 HB3 GLU 24 HB1 GLU 24 -6.707 21.594 -7.063 197 HG2 GLU 24 HG2 GLU 24 -8.784 20.512 -6.467 198 HG3 GLU 24 HG1 GLU 24 -8.187 18.938 -6.972 199 H GLU 25 HN GLU 25 -5.202 20.522 -10.104 200 HA GLU 25 HA GLU 25 -4.519 23.246 -10.316 201 HB2 GLU 25 HB2 GLU 25 -2.879 21.420 -10.590 202 HB3 GLU 25 HB1 GLU 25 -3.652 20.921 -12.086 203 HG2 GLU 25 HG2 GLU 25 -1.705 22.320 -12.567 204 HG3 GLU 25 HG1 GLU 25 -3.170 23.142 -13.076 205 H VAL 26 HN VAL 26 -6.319 21.125 -12.471 206 HA VAL 26 HA VAL 26 -6.482 22.966 -14.634 207 HB VAL 26 HB VAL 26 -8.043 20.469 -13.939 208 HG11 VAL 26 HG11 VAL 26 -9.623 21.758 -15.151 209 HG12 VAL 26 HG12 VAL 26 -8.862 20.737 -16.372 210 HG13 VAL 26 HG13 VAL 26 -8.389 22.432 -16.216 211 HG21 VAL 26 HG21 VAL 26 -6.737 19.456 -15.655 212 HG22 VAL 26 HG22 VAL 26 -5.563 20.458 -14.812 213 HG23 VAL 26 HG23 VAL 26 -6.256 21.005 -16.330 214 H GLU 27 HN GLU 27 -8.522 22.185 -11.872 215 HA GLU 27 HA GLU 27 -10.788 23.664 -12.598 216 HB2 GLU 27 HB2 GLU 27 -10.719 22.082 -10.694 217 HB3 GLU 27 HB1 GLU 27 -9.681 23.206 -9.816 218 HG2 GLU 27 HG2 GLU 27 -11.427 24.907 -9.838 219 HG3 GLU 27 HG1 GLU 27 -12.456 23.877 -10.829 220 H LEU 28 HN LEU 28 -7.896 24.641 -10.785 221 HA LEU 28 HA LEU 28 -8.759 27.311 -10.327 222 HB2 LEU 28 HB2 LEU 28 -6.181 25.800 -10.089 223 HB3 LEU 28 HB1 LEU 28 -6.058 27.559 -10.166 224 HG LEU 28 HG LEU 28 -7.688 27.710 -8.289 225 HD11 LEU 28 HD11 LEU 28 -8.223 25.660 -7.033 226 HD12 LEU 28 HD12 LEU 28 -7.356 24.698 -8.224 227 HD13 LEU 28 HD13 LEU 28 -8.829 25.549 -8.684 228 HD21 LEU 28 HD21 LEU 28 -6.101 27.198 -6.603 229 HD22 LEU 28 HD22 LEU 28 -5.139 27.561 -8.033 230 HD23 LEU 28 HD23 LEU 28 -5.399 25.885 -7.547 231 H GLU 29 HN GLU 29 -6.987 25.776 -12.905 232 HA GLU 29 HA GLU 29 -6.202 28.173 -14.230 233 HB2 GLU 29 HB2 GLU 29 -6.420 25.289 -15.100 234 HB3 GLU 29 HB1 GLU 29 -6.043 26.548 -16.268 235 HG2 GLU 29 HG2 GLU 29 -4.460 26.140 -13.704 236 HG3 GLU 29 HG1 GLU 29 -4.012 25.442 -15.256 237 H ARG 30 HN ARG 30 -9.006 26.059 -14.521 238 HA ARG 30 HA ARG 30 -10.143 27.327 -16.764 239 HB2 ARG 30 HB2 ARG 30 -11.345 25.728 -14.500 240 HB3 ARG 30 HB1 ARG 30 -12.297 26.301 -15.869 241 HG2 ARG 30 HG2 ARG 30 -9.744 24.769 -16.394 242 HG3 ARG 30 HG1 ARG 30 -11.198 23.885 -15.935 243 HD2 ARG 30 HD2 ARG 30 -12.433 24.904 -17.795 244 HD3 ARG 30 HD1 ARG 30 -11.016 25.832 -18.258 245 HE ARG 30 HE ARG 30 -10.212 23.187 -18.242 246 HH11 ARG 30 HH11 ARG 30 -10.226 21.964 -20.153 247 HH12 ARG 30 HH12 ARG 30 -11.266 22.422 -21.459 248 HH21 ARG 30 HH21 ARG 30 -12.586 25.165 -19.799 249 HH22 ARG 30 HH22 ARG 30 -12.602 24.235 -21.260 250 H LEU 31 HN LEU 31 -10.506 27.897 -13.299 251 HA LEU 31 HA LEU 31 -12.527 29.864 -13.501 252 HB2 LEU 31 HB2 LEU 31 -10.408 29.348 -11.405 253 HB3 LEU 31 HB1 LEU 31 -11.685 30.545 -11.214 254 HG LEU 31 HG LEU 31 -12.202 27.618 -11.813 255 HD11 LEU 31 HD11 LEU 31 -12.194 29.107 -9.175 256 HD12 LEU 31 HD12 LEU 31 -11.162 27.750 -9.628 257 HD13 LEU 31 HD13 LEU 31 -12.894 27.506 -9.400 258 HD21 LEU 31 HD21 LEU 31 -14.492 28.478 -10.701 259 HD22 LEU 31 HD22 LEU 31 -14.182 28.675 -12.415 260 HD23 LEU 31 HD23 LEU 31 -13.941 30.034 -11.323 261 H LYS 32 HN LYS 32 -9.006 30.076 -13.445 262 HA LYS 32 HA LYS 32 -8.912 32.903 -13.481 263 HB2 LYS 32 HB2 LYS 32 -7.023 31.338 -12.816 264 HB3 LYS 32 HB1 LYS 32 -6.771 31.031 -14.525 265 HG2 LYS 32 HG2 LYS 32 -5.276 32.789 -14.174 266 HG3 LYS 32 HG1 LYS 32 -6.701 33.663 -14.733 267 HD2 LYS 32 HD2 LYS 32 -7.334 34.199 -12.442 268 HD3 LYS 32 HD1 LYS 32 -6.044 33.182 -11.807 269 HE2 LYS 32 HE2 LYS 32 -5.286 35.453 -11.722 270 HE3 LYS 32 HE1 LYS 32 -4.410 34.650 -13.025 271 HZ1 LYS 32 HZ1 LYS 32 -6.882 35.779 -13.907 272 HZ2 LYS 32 HZ2 LYS 32 -5.315 35.988 -14.529 273 HZ3 LYS 32 HZ3 LYS 32 -5.855 36.952 -13.238 274 H ASN 33 HN ASN 33 -8.950 30.440 -16.005 275 HA ASN 33 HA ASN 33 -8.314 32.094 -18.185 276 HB2 ASN 33 HB2 ASN 33 -9.964 29.561 -17.979 277 HB3 ASN 33 HB1 ASN 33 -9.569 30.332 -19.511 278 HD21 ASN 33 HD21 ASN 33 -8.628 27.679 -18.703 279 HD22 ASN 33 HD22 ASN 33 -6.936 27.765 -18.603 280 H GLU 34 HN GLU 34 -11.426 31.271 -16.687 281 HA GLU 34 HA GLU 34 -13.052 32.658 -18.551 282 HB2 GLU 34 HB2 GLU 34 -13.497 31.838 -15.678 283 HB3 GLU 34 HB1 GLU 34 -14.744 32.597 -16.669 284 HG2 GLU 34 HG2 GLU 34 -14.655 30.789 -18.276 285 HG3 GLU 34 HG1 GLU 34 -13.264 30.075 -17.463 286 H ARG 35 HN ARG 35 -11.567 33.593 -15.499 287 HA ARG 35 HA ARG 35 -12.745 36.160 -15.345 288 HB2 ARG 35 HB2 ARG 35 -11.586 34.928 -13.439 289 HB3 ARG 35 HB1 ARG 35 -10.055 35.392 -14.169 290 HG2 ARG 35 HG2 ARG 35 -10.365 37.158 -12.693 291 HG3 ARG 35 HG1 ARG 35 -11.116 37.828 -14.138 292 HD2 ARG 35 HD2 ARG 35 -12.617 38.186 -12.275 293 HD3 ARG 35 HD1 ARG 35 -13.332 36.954 -13.300 294 HE ARG 35 HE ARG 35 -11.726 35.739 -11.297 295 HH11 ARG 35 HH11 ARG 35 -12.803 34.736 -9.564 296 HH12 ARG 35 HH12 ARG 35 -14.458 35.130 -9.237 297 HH21 ARG 35 HH21 ARG 35 -14.711 37.394 -11.850 298 HH22 ARG 35 HH22 ARG 35 -15.538 36.635 -10.531 299 H HIS 36 HN HIS 36 -9.796 34.979 -16.827 300 HA HIS 36 HA HIS 36 -8.673 37.492 -17.467 301 HB2 HIS 36 HB2 HIS 36 -7.426 35.310 -17.495 302 HB3 HIS 36 HB1 HIS 36 -8.272 34.891 -18.982 303 HD2 HIS 36 HD2 HIS 36 -5.314 37.101 -17.823 304 HE1 HIS 36 HE1 HIS 36 -5.895 37.831 -21.941 305 HE2 HIS 36 HE2 HIS 36 -4.344 38.228 -19.969 306 H ASP 37 HN ASP 37 -10.948 35.375 -19.125 307 HA ASP 37 HA ASP 37 -10.998 36.989 -21.520 308 HB2 ASP 37 HB2 ASP 37 -11.395 34.514 -21.527 309 HB3 ASP 37 HB1 ASP 37 -12.920 34.794 -20.688 310 H HIS 38 HN HIS 38 -12.813 36.726 -18.553 311 HA HIS 38 HA HIS 38 -15.078 38.235 -19.445 312 HB2 HIS 38 HB2 HIS 38 -15.120 36.633 -17.510 313 HB3 HIS 38 HB1 HIS 38 -14.160 37.793 -16.591 314 HD2 HIS 38 HD2 HIS 38 -17.831 37.328 -17.830 315 HE1 HIS 38 HE1 HIS 38 -17.650 40.939 -15.650 316 HE2 HIS 38 HE2 HIS 38 -19.209 39.276 -16.768 317 H ASP 39 HN ASP 39 -11.948 39.015 -18.150 318 HA ASP 39 HA ASP 39 -12.723 41.865 -17.863 319 HB2 ASP 39 HB2 ASP 39 -10.725 42.102 -16.502 320 HB3 ASP 39 HB1 ASP 39 -11.734 40.805 -15.865 321 H TYR 40 HN TYR 40 -11.838 40.075 -20.284 322 HA TYR 40 HA TYR 40 -10.488 40.289 -22.143 323 HB2 TYR 40 HB2 TYR 40 -11.941 42.191 -22.505 324 HB3 TYR 40 HB1 TYR 40 -10.981 43.184 -21.409 325 HD1 TYR 40 HD1 TYR 40 -10.785 41.232 -24.590 326 HD2 TYR 40 HD2 TYR 40 -9.100 44.380 -22.204 327 HE1 TYR 40 HE1 TYR 40 -9.295 41.859 -26.470 328 HE2 TYR 40 HE2 TYR 40 -7.610 45.009 -24.082 329 HH TYR 40 HH TYR 40 -7.104 43.027 -26.766 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 -0.023 -15.703 6.339 2 H2 GLY 1 HT2 GLY 1 0.357 -15.984 4.707 3 H3 GLY 1 HT3 GLY 1 -1.133 -15.286 5.127 4 HA2 GLY 1 HA2 GLY 1 0.192 -13.521 4.344 5 HA3 GLY 1 HA1 GLY 1 0.144 -13.378 6.102 6 H SER 2 HN SER 2 2.130 -13.871 3.347 7 HA SER 2 HA SER 2 4.528 -13.601 4.951 8 HB2 SER 2 HB2 SER 2 4.175 -16.033 5.045 9 HB3 SER 2 HB1 SER 2 4.091 -16.094 3.287 10 HG SER 2 HG SER 2 6.177 -16.452 3.603 11 H VAL 3 HN VAL 3 2.818 -12.678 2.443 12 HA VAL 3 HA VAL 3 5.194 -11.978 0.840 13 HB VAL 3 HB VAL 3 3.942 -12.418 -1.240 14 HG11 VAL 3 HG11 VAL 3 4.044 -14.818 0.613 15 HG12 VAL 3 HG12 VAL 3 5.428 -14.151 -0.255 16 HG13 VAL 3 HG13 VAL 3 4.084 -14.861 -1.150 17 HG21 VAL 3 HG21 VAL 3 1.866 -13.468 0.704 18 HG22 VAL 3 HG22 VAL 3 1.856 -13.837 -1.019 19 HG23 VAL 3 HG23 VAL 3 1.665 -12.172 -0.475 20 H LYS 4 HN LYS 4 3.810 -10.612 -1.183 21 HA LYS 4 HA LYS 4 3.030 -8.212 0.272 22 HB2 LYS 4 HB2 LYS 4 3.293 -8.652 -2.711 23 HB3 LYS 4 HB1 LYS 4 3.186 -7.104 -1.874 24 HG2 LYS 4 HG2 LYS 4 5.489 -7.188 -2.002 25 HG3 LYS 4 HG1 LYS 4 5.327 -8.190 -0.562 26 HD2 LYS 4 HD2 LYS 4 5.265 -10.213 -2.039 27 HD3 LYS 4 HD1 LYS 4 5.564 -9.164 -3.424 28 HE2 LYS 4 HE2 LYS 4 7.374 -9.267 -1.006 29 HE3 LYS 4 HE1 LYS 4 7.628 -10.250 -2.450 30 HZ1 LYS 4 HZ1 LYS 4 8.240 -7.520 -2.024 31 HZ2 LYS 4 HZ2 LYS 4 7.179 -7.679 -3.341 32 HZ3 LYS 4 HZ3 LYS 4 8.657 -8.518 -3.330 33 H LYS 5 HN LYS 5 1.600 -8.221 -2.721 34 HA LYS 5 HA LYS 5 -0.613 -8.083 -3.364 35 HB2 LYS 5 HB2 LYS 5 -0.138 -10.627 -2.998 36 HB3 LYS 5 HB1 LYS 5 -1.153 -10.444 -1.569 37 HG2 LYS 5 HG2 LYS 5 -2.972 -9.537 -2.974 38 HG3 LYS 5 HG1 LYS 5 -1.952 -9.711 -4.402 39 HD2 LYS 5 HD2 LYS 5 -1.884 -12.112 -4.140 40 HD3 LYS 5 HD1 LYS 5 -2.725 -12.010 -2.592 41 HE2 LYS 5 HE2 LYS 5 -4.306 -12.635 -4.358 42 HE3 LYS 5 HE1 LYS 5 -4.690 -11.026 -3.744 43 HZ1 LYS 5 HZ1 LYS 5 -4.208 -10.088 -5.692 44 HZ2 LYS 5 HZ2 LYS 5 -4.323 -11.652 -6.345 45 HZ3 LYS 5 HZ3 LYS 5 -2.806 -11.017 -5.917 46 H LEU 6 HN LEU 6 0.241 -6.653 -0.920 47 HA LEU 6 HA LEU 6 -2.426 -6.032 0.050 48 HB2 LEU 6 HB2 LEU 6 -1.743 -7.860 1.562 49 HB3 LEU 6 HB1 LEU 6 -0.276 -6.971 1.970 50 HG LEU 6 HG LEU 6 -1.660 -5.108 2.856 51 HD11 LEU 6 HD11 LEU 6 -3.706 -5.107 1.745 52 HD12 LEU 6 HD12 LEU 6 -4.175 -5.873 3.261 53 HD13 LEU 6 HD13 LEU 6 -3.879 -6.861 1.829 54 HD21 LEU 6 HD21 LEU 6 -2.541 -7.736 4.073 55 HD22 LEU 6 HD22 LEU 6 -2.296 -6.194 4.891 56 HD23 LEU 6 HD23 LEU 6 -0.911 -7.087 4.265 57 H ASN 7 HN ASN 7 1.059 -5.514 0.472 58 HA ASN 7 HA ASN 7 0.889 -2.929 1.574 59 HB2 ASN 7 HB2 ASN 7 3.056 -4.311 -0.005 60 HB3 ASN 7 HB1 ASN 7 3.255 -2.702 0.685 61 HD21 ASN 7 HD21 ASN 7 4.863 -4.905 1.561 62 HD22 ASN 7 HD22 ASN 7 4.446 -5.259 3.169 63 H ASP 8 HN ASP 8 0.994 -4.068 -1.757 64 HA ASP 8 HA ASP 8 1.463 -1.746 -3.155 65 HB2 ASP 8 HB2 ASP 8 1.095 -4.043 -4.122 66 HB3 ASP 8 HB1 ASP 8 -0.637 -3.778 -3.931 67 H GLU 9 HN GLU 9 -1.129 -2.373 -1.057 68 HA GLU 9 HA GLU 9 -3.232 -0.917 -2.181 69 HB2 GLU 9 HB2 GLU 9 -4.106 -0.731 0.082 70 HB3 GLU 9 HB1 GLU 9 -3.401 -2.334 -0.124 71 HG2 GLU 9 HG2 GLU 9 -1.269 -1.431 0.896 72 HG3 GLU 9 HG1 GLU 9 -2.149 0.051 1.267 73 H VAL 10 HN VAL 10 -0.324 0.172 -0.502 74 HA VAL 10 HA VAL 10 -1.169 2.845 -0.096 75 HB VAL 10 HB VAL 10 1.120 3.236 0.470 76 HG11 VAL 10 HG11 VAL 10 -0.230 1.900 2.058 77 HG12 VAL 10 HG12 VAL 10 1.490 1.525 2.156 78 HG13 VAL 10 HG13 VAL 10 0.397 0.426 1.316 79 HG21 VAL 10 HG21 VAL 10 2.761 1.222 0.125 80 HG22 VAL 10 HG22 VAL 10 2.437 2.301 -1.230 81 HG23 VAL 10 HG23 VAL 10 1.623 0.742 -1.137 82 H ALA 11 HN ALA 11 0.444 1.089 -2.668 83 HA ALA 11 HA ALA 11 1.357 3.310 -4.174 84 HB1 ALA 11 HB1 ALA 11 2.182 1.078 -4.673 85 HB2 ALA 11 HB2 ALA 11 1.389 1.736 -6.104 86 HB3 ALA 11 HB3 ALA 11 0.558 0.539 -5.110 87 H LEU 12 HN LEU 12 -1.682 1.519 -4.195 88 HA LEU 12 HA LEU 12 -2.834 2.877 -6.388 89 HB2 LEU 12 HB2 LEU 12 -3.736 0.737 -5.615 90 HB3 LEU 12 HB1 LEU 12 -4.200 1.451 -4.075 91 HG LEU 12 HG LEU 12 -5.729 3.005 -5.257 92 HD11 LEU 12 HD11 LEU 12 -4.506 1.664 -7.661 93 HD12 LEU 12 HD12 LEU 12 -4.874 3.368 -7.398 94 HD13 LEU 12 HD13 LEU 12 -6.175 2.233 -7.754 95 HD21 LEU 12 HD21 LEU 12 -6.184 0.134 -6.112 96 HD22 LEU 12 HD22 LEU 12 -7.413 1.362 -5.806 97 HD23 LEU 12 HD23 LEU 12 -6.451 0.724 -4.472 98 H GLU 13 HN GLU 13 -2.854 3.492 -2.900 99 HA GLU 13 HA GLU 13 -4.747 5.586 -2.944 100 HB2 GLU 13 HB2 GLU 13 -2.511 4.888 -1.042 101 HB3 GLU 13 HB1 GLU 13 -3.618 6.231 -0.755 102 HG2 GLU 13 HG2 GLU 13 -5.529 4.733 -0.759 103 HG3 GLU 13 HG1 GLU 13 -4.518 3.371 -1.237 104 H ARG 14 HN ARG 14 -1.243 5.530 -3.350 105 HA ARG 14 HA ARG 14 -0.816 8.300 -3.275 106 HB2 ARG 14 HB2 ARG 14 1.049 6.754 -3.170 107 HB3 ARG 14 HB1 ARG 14 0.677 6.136 -4.777 108 HG2 ARG 14 HG2 ARG 14 2.564 7.771 -4.793 109 HG3 ARG 14 HG1 ARG 14 1.205 8.317 -5.775 110 HD2 ARG 14 HD2 ARG 14 2.303 10.011 -4.139 111 HD3 ARG 14 HD1 ARG 14 0.544 9.919 -4.177 112 HE ARG 14 HE ARG 14 0.595 9.022 -2.020 113 HH11 ARG 14 HH11 ARG 14 1.673 8.434 -0.107 114 HH12 ARG 14 HH12 ARG 14 3.394 8.235 -0.117 115 HH21 ARG 14 HH21 ARG 14 3.723 8.995 -3.485 116 HH22 ARG 14 HH22 ARG 14 4.555 8.552 -2.032 117 H LEU 15 HN LEU 15 -1.545 6.131 -5.976 118 HA LEU 15 HA LEU 15 -1.396 8.062 -8.021 119 HB2 LEU 15 HB2 LEU 15 -2.911 5.446 -7.831 120 HB3 LEU 15 HB1 LEU 15 -2.856 6.423 -9.299 121 HG LEU 15 HG LEU 15 -0.389 5.454 -7.836 122 HD11 LEU 15 HD11 LEU 15 -1.716 4.255 -10.285 123 HD12 LEU 15 HD12 LEU 15 -1.791 3.566 -8.663 124 HD13 LEU 15 HD13 LEU 15 -0.244 3.680 -9.502 125 HD21 LEU 15 HD21 LEU 15 0.484 5.832 -10.320 126 HD22 LEU 15 HD22 LEU 15 0.353 7.197 -9.215 127 HD23 LEU 15 HD23 LEU 15 -0.902 6.919 -10.423 128 H LYS 16 HN LYS 16 -3.998 7.080 -5.892 129 HA LYS 16 HA LYS 16 -6.081 8.481 -7.199 130 HB2 LYS 16 HB2 LYS 16 -5.747 7.579 -4.318 131 HB3 LYS 16 HB1 LYS 16 -7.221 8.312 -4.942 132 HG2 LYS 16 HG2 LYS 16 -6.019 5.955 -6.381 133 HG3 LYS 16 HG1 LYS 16 -6.974 5.688 -4.925 134 HD2 LYS 16 HD2 LYS 16 -8.849 6.961 -5.950 135 HD3 LYS 16 HD1 LYS 16 -7.905 7.129 -7.430 136 HE2 LYS 16 HE2 LYS 16 -7.779 4.668 -7.614 137 HE3 LYS 16 HE1 LYS 16 -8.764 4.521 -6.157 138 HZ1 LYS 16 HZ1 LYS 16 -9.618 4.913 -8.792 139 HZ2 LYS 16 HZ2 LYS 16 -10.032 6.299 -7.900 140 HZ3 LYS 16 HZ3 LYS 16 -10.565 4.767 -7.391 141 H ASN 17 HN ASN 17 -3.766 9.423 -4.694 142 HA ASN 17 HA ASN 17 -4.928 11.917 -4.081 143 HB2 ASN 17 HB2 ASN 17 -3.215 10.756 -2.698 144 HB3 ASN 17 HB1 ASN 17 -2.012 11.124 -3.933 145 HD21 ASN 17 HD21 ASN 17 -1.849 12.145 -1.228 146 HD22 ASN 17 HD22 ASN 17 -2.020 13.832 -1.307 147 H GLU 18 HN GLU 18 -2.548 10.885 -6.459 148 HA GLU 18 HA GLU 18 -1.783 13.444 -7.374 149 HB2 GLU 18 HB2 GLU 18 -0.536 11.387 -7.953 150 HB3 GLU 18 HB1 GLU 18 -1.882 10.867 -8.965 151 HG2 GLU 18 HG2 GLU 18 -0.160 11.913 -10.349 152 HG3 GLU 18 HG1 GLU 18 -1.603 12.923 -10.348 153 H ARG 19 HN ARG 19 -4.372 11.265 -8.390 154 HA ARG 19 HA ARG 19 -5.265 12.865 -10.568 155 HB2 ARG 19 HB2 ARG 19 -6.663 10.739 -8.933 156 HB3 ARG 19 HB1 ARG 19 -7.366 11.504 -10.359 157 HG2 ARG 19 HG2 ARG 19 -5.494 10.745 -11.736 158 HG3 ARG 19 HG1 ARG 19 -4.711 10.041 -10.321 159 HD2 ARG 19 HD2 ARG 19 -6.617 8.515 -10.015 160 HD3 ARG 19 HD1 ARG 19 -7.416 9.222 -11.416 161 HE ARG 19 HE ARG 19 -4.874 8.345 -12.227 162 HH11 ARG 19 HH11 ARG 19 -4.675 6.351 -13.297 163 HH12 ARG 19 HH12 ARG 19 -5.912 5.153 -13.121 164 HH21 ARG 19 HH21 ARG 19 -7.868 7.097 -11.019 165 HH22 ARG 19 HH22 ARG 19 -7.720 5.575 -11.832 166 H HIS 20 HN HIS 20 -6.184 12.693 -7.149 167 HA HIS 20 HA HIS 20 -8.447 14.367 -7.276 168 HB2 HIS 20 HB2 HIS 20 -6.497 13.706 -5.070 169 HB3 HIS 20 HB1 HIS 20 -7.870 14.780 -4.802 170 HD2 HIS 20 HD2 HIS 20 -7.254 11.176 -4.271 171 HE1 HIS 20 HE1 HIS 20 -11.264 11.307 -5.588 172 HE2 HIS 20 HE2 HIS 20 -9.500 9.856 -4.478 173 H VAL 21 HN VAL 21 -5.089 15.151 -6.450 174 HA VAL 21 HA VAL 21 -5.530 17.947 -6.190 175 HB VAL 21 HB VAL 21 -3.563 16.703 -5.237 176 HG11 VAL 21 HG11 VAL 21 -2.517 16.838 -8.088 177 HG12 VAL 21 HG12 VAL 21 -3.017 15.370 -7.255 178 HG13 VAL 21 HG13 VAL 21 -1.632 16.274 -6.671 179 HG21 VAL 21 HG21 VAL 21 -3.630 19.181 -5.465 180 HG22 VAL 21 HG22 VAL 21 -2.862 19.030 -7.046 181 HG23 VAL 21 HG23 VAL 21 -1.994 18.534 -5.593 182 H HIS 22 HN HIS 22 -4.796 15.859 -8.902 183 HA HIS 22 HA HIS 22 -4.017 17.891 -10.716 184 HB2 HIS 22 HB2 HIS 22 -3.491 15.490 -11.051 185 HB3 HIS 22 HB1 HIS 22 -5.197 15.161 -11.344 186 HD2 HIS 22 HD2 HIS 22 -2.141 16.763 -13.172 187 HE1 HIS 22 HE1 HIS 22 -5.435 16.864 -15.812 188 HE2 HIS 22 HE2 HIS 22 -2.932 17.248 -15.613 189 H ASP 23 HN ASP 23 -7.114 16.391 -9.918 190 HA ASP 23 HA ASP 23 -8.635 17.584 -11.970 191 HB2 ASP 23 HB2 ASP 23 -9.392 16.529 -9.236 192 HB3 ASP 23 HB1 ASP 23 -10.572 17.119 -10.403 193 H GLU 24 HN GLU 24 -7.804 18.576 -8.717 194 HA GLU 24 HA GLU 24 -9.444 20.931 -8.704 195 HB2 GLU 24 HB2 GLU 24 -7.129 20.081 -6.948 196 HB3 GLU 24 HB1 GLU 24 -7.936 21.635 -6.763 197 HG2 GLU 24 HG2 GLU 24 -10.051 20.578 -6.318 198 HG3 GLU 24 HG1 GLU 24 -9.418 18.987 -6.729 199 H GLU 25 HN GLU 25 -6.144 20.271 -9.617 200 HA GLU 25 HA GLU 25 -5.270 22.959 -9.916 201 HB2 GLU 25 HB2 GLU 25 -4.345 20.333 -11.075 202 HB3 GLU 25 HB1 GLU 25 -3.612 21.850 -11.589 203 HG2 GLU 25 HG2 GLU 25 -2.818 22.332 -9.410 204 HG3 GLU 25 HG1 GLU 25 -3.852 21.123 -8.658 205 H VAL 26 HN VAL 26 -6.938 20.768 -12.101 206 HA VAL 26 HA VAL 26 -6.743 22.439 -14.390 207 HB VAL 26 HB VAL 26 -8.565 20.114 -13.706 208 HG11 VAL 26 HG11 VAL 26 -8.429 21.867 -16.162 209 HG12 VAL 26 HG12 VAL 26 -9.851 21.375 -15.242 210 HG13 VAL 26 HG13 VAL 26 -9.004 20.202 -16.251 211 HG21 VAL 26 HG21 VAL 26 -7.170 19.095 -15.623 212 HG22 VAL 26 HG22 VAL 26 -6.310 19.340 -14.108 213 HG23 VAL 26 HG23 VAL 26 -6.092 20.476 -15.439 214 H GLU 27 HN GLU 27 -9.161 21.989 -11.857 215 HA GLU 27 HA GLU 27 -11.175 23.597 -12.976 216 HB2 GLU 27 HB2 GLU 27 -11.546 22.105 -11.055 217 HB3 GLU 27 HB1 GLU 27 -10.529 23.141 -10.054 218 HG2 GLU 27 HG2 GLU 27 -12.062 25.007 -10.336 219 HG3 GLU 27 HG1 GLU 27 -13.038 24.079 -11.474 220 H LEU 28 HN LEU 28 -8.471 24.416 -10.840 221 HA LEU 28 HA LEU 28 -9.165 27.141 -10.515 222 HB2 LEU 28 HB2 LEU 28 -6.758 25.459 -9.987 223 HB3 LEU 28 HB1 LEU 28 -6.464 27.189 -10.138 224 HG LEU 28 HG LEU 28 -8.318 27.531 -8.435 225 HD11 LEU 28 HD11 LEU 28 -9.075 25.660 -7.146 226 HD12 LEU 28 HD12 LEU 28 -7.901 24.579 -7.900 227 HD13 LEU 28 HD13 LEU 28 -9.263 25.197 -8.835 228 HD21 LEU 28 HD21 LEU 28 -6.856 26.937 -6.543 229 HD22 LEU 28 HD22 LEU 28 -5.919 27.631 -7.866 230 HD23 LEU 28 HD23 LEU 28 -5.906 25.888 -7.597 231 H GLU 29 HN GLU 29 -7.233 25.439 -12.910 232 HA GLU 29 HA GLU 29 -6.112 27.693 -14.169 233 HB2 GLU 29 HB2 GLU 29 -5.340 25.377 -14.576 234 HB3 GLU 29 HB1 GLU 29 -6.857 25.029 -15.408 235 HG2 GLU 29 HG2 GLU 29 -6.371 26.721 -17.087 236 HG3 GLU 29 HG1 GLU 29 -4.907 27.196 -16.226 237 H ARG 30 HN ARG 30 -9.143 25.949 -14.725 238 HA ARG 30 HA ARG 30 -9.969 27.392 -17.002 239 HB2 ARG 30 HB2 ARG 30 -11.003 25.268 -16.319 240 HB3 ARG 30 HB1 ARG 30 -11.668 26.049 -14.884 241 HG2 ARG 30 HG2 ARG 30 -13.022 27.529 -16.233 242 HG3 ARG 30 HG1 ARG 30 -12.245 26.965 -17.714 243 HD2 ARG 30 HD2 ARG 30 -14.431 25.881 -17.431 244 HD3 ARG 30 HD1 ARG 30 -13.134 24.696 -17.313 245 HE ARG 30 HE ARG 30 -13.674 24.387 -15.064 246 HH11 ARG 30 HH11 ARG 30 -15.028 24.688 -13.267 247 HH12 ARG 30 HH12 ARG 30 -16.162 25.998 -13.253 248 HH21 ARG 30 HH21 ARG 30 -15.252 27.165 -16.390 249 HH22 ARG 30 HH22 ARG 30 -16.288 27.401 -15.022 250 H LEU 31 HN LEU 31 -10.483 27.945 -13.546 251 HA LEU 31 HA LEU 31 -12.292 30.078 -13.773 252 HB2 LEU 31 HB2 LEU 31 -11.860 28.926 -11.645 253 HB3 LEU 31 HB1 LEU 31 -10.219 29.570 -11.621 254 HG LEU 31 HG LEU 31 -11.130 31.879 -11.560 255 HD11 LEU 31 HD11 LEU 31 -13.726 30.380 -11.822 256 HD12 LEU 31 HD12 LEU 31 -13.210 31.873 -12.606 257 HD13 LEU 31 HD13 LEU 31 -13.707 31.894 -10.915 258 HD21 LEU 31 HD21 LEU 31 -12.049 31.770 -9.262 259 HD22 LEU 31 HD22 LEU 31 -10.634 30.736 -9.449 260 HD23 LEU 31 HD23 LEU 31 -12.248 30.026 -9.433 261 H LYS 32 HN LYS 32 -8.747 30.060 -13.562 262 HA LYS 32 HA LYS 32 -8.412 32.860 -13.606 263 HB2 LYS 32 HB2 LYS 32 -6.554 30.605 -14.406 264 HB3 LYS 32 HB1 LYS 32 -6.070 32.301 -14.397 265 HG2 LYS 32 HG2 LYS 32 -6.643 32.464 -12.018 266 HG3 LYS 32 HG1 LYS 32 -7.164 30.778 -12.019 267 HD2 LYS 32 HD2 LYS 32 -4.888 30.080 -12.684 268 HD3 LYS 32 HD1 LYS 32 -4.366 31.765 -12.646 269 HE2 LYS 32 HE2 LYS 32 -5.503 30.248 -10.281 270 HE3 LYS 32 HE1 LYS 32 -3.790 30.568 -10.547 271 HZ1 LYS 32 HZ1 LYS 32 -4.271 32.369 -9.304 272 HZ2 LYS 32 HZ2 LYS 32 -5.916 32.381 -9.730 273 HZ3 LYS 32 HZ3 LYS 32 -4.754 33.013 -10.797 274 H ASN 33 HN ASN 33 -8.681 30.460 -16.178 275 HA ASN 33 HA ASN 33 -7.928 32.095 -18.340 276 HB2 ASN 33 HB2 ASN 33 -8.222 29.621 -18.465 277 HB3 ASN 33 HB1 ASN 33 -9.968 29.856 -18.369 278 HD21 ASN 33 HD21 ASN 33 -10.399 29.091 -20.517 279 HD22 ASN 33 HD22 ASN 33 -9.898 29.941 -21.897 280 H GLU 34 HN GLU 34 -11.088 31.543 -16.834 281 HA GLU 34 HA GLU 34 -12.599 33.111 -18.642 282 HB2 GLU 34 HB2 GLU 34 -13.071 32.361 -15.754 283 HB3 GLU 34 HB1 GLU 34 -14.251 33.222 -16.742 284 HG2 GLU 34 HG2 GLU 34 -14.313 31.386 -18.344 285 HG3 GLU 34 HG1 GLU 34 -13.044 30.537 -17.464 286 H ARG 35 HN ARG 35 -10.865 33.868 -15.682 287 HA ARG 35 HA ARG 35 -11.783 36.503 -15.308 288 HB2 ARG 35 HB2 ARG 35 -10.421 35.194 -13.634 289 HB3 ARG 35 HB1 ARG 35 -8.995 35.495 -14.623 290 HG2 ARG 35 HG2 ARG 35 -9.501 37.963 -14.434 291 HG3 ARG 35 HG1 ARG 35 -10.742 37.543 -13.251 292 HD2 ARG 35 HD2 ARG 35 -7.803 36.850 -13.048 293 HD3 ARG 35 HD1 ARG 35 -8.624 38.108 -12.130 294 HE ARG 35 HE ARG 35 -8.817 35.227 -11.700 295 HH11 ARG 35 HH11 ARG 35 -9.910 34.620 -9.809 296 HH12 ARG 35 HH12 ARG 35 -10.817 35.801 -8.923 297 HH21 ARG 35 HH21 ARG 35 -10.073 38.394 -11.101 298 HH22 ARG 35 HH22 ARG 35 -10.907 37.938 -9.654 299 H HIS 36 HN HIS 36 -9.166 35.195 -17.292 300 HA HIS 36 HA HIS 36 -8.161 37.746 -18.102 301 HB2 HIS 36 HB2 HIS 36 -7.763 34.980 -19.286 302 HB3 HIS 36 HB1 HIS 36 -6.888 36.425 -19.786 303 HD2 HIS 36 HD2 HIS 36 -6.375 33.627 -17.342 304 HE1 HIS 36 HE1 HIS 36 -4.285 36.896 -15.684 305 HE2 HIS 36 HE2 HIS 36 -4.649 34.388 -15.539 306 H ASP 37 HN ASP 37 -10.545 35.497 -19.310 307 HA ASP 37 HA ASP 37 -10.850 36.656 -21.892 308 HB2 ASP 37 HB2 ASP 37 -11.619 34.330 -21.198 309 HB3 ASP 37 HB1 ASP 37 -12.980 35.107 -20.390 310 H HIS 38 HN HIS 38 -12.237 37.290 -18.747 311 HA HIS 38 HA HIS 38 -14.333 39.006 -19.667 312 HB2 HIS 38 HB2 HIS 38 -14.320 37.828 -17.440 313 HB3 HIS 38 HB1 HIS 38 -13.069 38.955 -16.913 314 HD2 HIS 38 HD2 HIS 38 -16.913 38.900 -17.541 315 HE1 HIS 38 HE1 HIS 38 -15.870 42.799 -16.304 316 HE2 HIS 38 HE2 HIS 38 -17.811 41.235 -16.793 317 H ASP 39 HN ASP 39 -10.968 39.383 -19.026 318 HA ASP 39 HA ASP 39 -10.955 42.211 -18.623 319 HB2 ASP 39 HB2 ASP 39 -8.782 40.272 -19.449 320 HB3 ASP 39 HB1 ASP 39 -8.503 41.991 -19.180 321 H TYR 40 HN TYR 40 -11.138 40.161 -21.403 322 HA TYR 40 HA TYR 40 -11.224 40.588 -23.656 323 HB2 TYR 40 HB2 TYR 40 -11.991 43.369 -22.739 324 HB3 TYR 40 HB1 TYR 40 -12.292 42.668 -24.330 325 HD1 TYR 40 HD1 TYR 40 -13.673 43.201 -21.108 326 HD2 TYR 40 HD2 TYR 40 -13.560 40.345 -24.316 327 HE1 TYR 40 HE1 TYR 40 -15.776 42.182 -20.277 328 HE2 TYR 40 HE2 TYR 40 -15.664 39.328 -23.484 329 HH TYR 40 HH TYR 40 -17.420 40.735 -20.734 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 6.254 -18.930 4.336 2 H2 GLY 1 HT2 GLY 1 5.519 -17.917 5.484 3 H3 GLY 1 HT3 GLY 1 7.175 -18.279 5.601 4 HA2 GLY 1 HA2 GLY 1 6.341 -16.018 4.585 5 HA3 GLY 1 HA1 GLY 1 7.778 -16.839 3.973 6 H SER 2 HN SER 2 4.558 -15.843 3.284 7 HA SER 2 HA SER 2 4.828 -16.837 0.512 8 HB2 SER 2 HB2 SER 2 3.328 -18.407 1.567 9 HB3 SER 2 HB1 SER 2 2.391 -17.101 2.289 10 HG SER 2 HG SER 2 1.273 -17.235 0.513 11 H VAL 3 HN VAL 3 4.322 -14.301 2.621 12 HA VAL 3 HA VAL 3 2.401 -12.738 1.256 13 HB VAL 3 HB VAL 3 4.741 -11.864 2.970 14 HG11 VAL 3 HG11 VAL 3 3.940 -9.982 1.673 15 HG12 VAL 3 HG12 VAL 3 3.297 -9.820 3.307 16 HG13 VAL 3 HG13 VAL 3 2.263 -10.409 2.006 17 HG21 VAL 3 HG21 VAL 3 3.190 -13.386 4.123 18 HG22 VAL 3 HG22 VAL 3 1.824 -12.386 3.628 19 HG23 VAL 3 HG23 VAL 3 3.024 -11.747 4.753 20 H LYS 4 HN LYS 4 5.918 -12.992 0.968 21 HA LYS 4 HA LYS 4 7.383 -12.246 -0.628 22 HB2 LYS 4 HB2 LYS 4 5.539 -13.615 -1.956 23 HB3 LYS 4 HB1 LYS 4 5.141 -12.031 -2.617 24 HG2 LYS 4 HG2 LYS 4 6.756 -12.736 -4.150 25 HG3 LYS 4 HG1 LYS 4 7.769 -11.871 -2.994 26 HD2 LYS 4 HD2 LYS 4 8.279 -13.996 -1.844 27 HD3 LYS 4 HD1 LYS 4 7.256 -14.862 -2.989 28 HE2 LYS 4 HE2 LYS 4 9.604 -13.169 -3.850 29 HE3 LYS 4 HE1 LYS 4 9.741 -14.894 -3.510 30 HZ1 LYS 4 HZ1 LYS 4 8.778 -15.404 -5.429 31 HZ2 LYS 4 HZ2 LYS 4 8.997 -13.781 -5.882 32 HZ3 LYS 4 HZ3 LYS 4 7.523 -14.286 -5.205 33 H LYS 5 HN LYS 5 5.465 -10.330 0.856 34 HA LYS 5 HA LYS 5 5.035 -8.045 0.922 35 HB2 LYS 5 HB2 LYS 5 7.627 -8.046 -0.644 36 HB3 LYS 5 HB1 LYS 5 6.909 -6.638 0.143 37 HG2 LYS 5 HG2 LYS 5 7.034 -7.795 2.323 38 HG3 LYS 5 HG1 LYS 5 7.772 -9.190 1.536 39 HD2 LYS 5 HD2 LYS 5 9.653 -7.767 0.789 40 HD3 LYS 5 HD1 LYS 5 8.920 -6.384 1.603 41 HE2 LYS 5 HE2 LYS 5 9.072 -7.571 3.763 42 HE3 LYS 5 HE1 LYS 5 9.810 -8.951 2.950 43 HZ1 LYS 5 HZ1 LYS 5 11.561 -7.375 2.166 44 HZ2 LYS 5 HZ2 LYS 5 11.553 -7.654 3.842 45 HZ3 LYS 5 HZ3 LYS 5 10.910 -6.212 3.215 46 H LEU 6 HN LEU 6 3.800 -9.524 -1.253 47 HA LEU 6 HA LEU 6 4.011 -8.040 -3.686 48 HB2 LEU 6 HB2 LEU 6 1.924 -9.258 -4.286 49 HB3 LEU 6 HB1 LEU 6 3.214 -10.315 -3.715 50 HG LEU 6 HG LEU 6 2.029 -9.904 -1.337 51 HD11 LEU 6 HD11 LEU 6 -0.511 -9.992 -1.758 52 HD12 LEU 6 HD12 LEU 6 -0.155 -9.325 -3.351 53 HD13 LEU 6 HD13 LEU 6 0.267 -8.421 -1.899 54 HD21 LEU 6 HD21 LEU 6 2.351 -12.092 -2.417 55 HD22 LEU 6 HD22 LEU 6 0.938 -11.808 -3.432 56 HD23 LEU 6 HD23 LEU 6 0.751 -11.980 -1.686 57 H ASN 7 HN ASN 7 2.701 -7.267 -0.704 58 HA ASN 7 HA ASN 7 0.346 -5.864 -1.483 59 HB2 ASN 7 HB2 ASN 7 2.120 -5.625 0.957 60 HB3 ASN 7 HB1 ASN 7 0.597 -4.758 0.760 61 HD21 ASN 7 HD21 ASN 7 -1.309 -6.366 0.066 62 HD22 ASN 7 HD22 ASN 7 -1.365 -7.822 0.940 63 H ASP 8 HN ASP 8 3.682 -5.195 -1.777 64 HA ASP 8 HA ASP 8 3.706 -2.382 -1.612 65 HB2 ASP 8 HB2 ASP 8 5.770 -2.527 -2.957 66 HB3 ASP 8 HB1 ASP 8 5.761 -3.714 -1.654 67 H GLU 9 HN GLU 9 2.499 -4.533 -4.017 68 HA GLU 9 HA GLU 9 2.571 -2.830 -6.274 69 HB2 GLU 9 HB2 GLU 9 0.743 -5.146 -5.579 70 HB3 GLU 9 HB1 GLU 9 0.723 -4.310 -7.131 71 HG2 GLU 9 HG2 GLU 9 3.018 -4.912 -7.569 72 HG3 GLU 9 HG1 GLU 9 3.206 -5.568 -5.945 73 H VAL 10 HN VAL 10 0.449 -2.987 -3.492 74 HA VAL 10 HA VAL 10 -1.804 -1.704 -4.496 75 HB VAL 10 HB VAL 10 -0.593 -1.709 -1.718 76 HG11 VAL 10 HG11 VAL 10 -2.042 0.156 -1.818 77 HG12 VAL 10 HG12 VAL 10 -2.997 -1.139 -1.100 78 HG13 VAL 10 HG13 VAL 10 -3.220 -0.713 -2.796 79 HG21 VAL 10 HG21 VAL 10 -2.277 -3.438 -1.292 80 HG22 VAL 10 HG22 VAL 10 -1.265 -3.924 -2.652 81 HG23 VAL 10 HG23 VAL 10 -2.884 -3.284 -2.940 82 H ALA 11 HN ALA 11 1.350 -0.544 -3.747 83 HA ALA 11 HA ALA 11 0.823 2.155 -3.166 84 HB1 ALA 11 HB1 ALA 11 3.114 2.596 -4.063 85 HB2 ALA 11 HB2 ALA 11 3.174 0.931 -4.637 86 HB3 ALA 11 HB3 ALA 11 3.067 1.267 -2.907 87 H LEU 12 HN LEU 12 1.075 0.469 -6.252 88 HA LEU 12 HA LEU 12 1.073 2.683 -7.955 89 HB2 LEU 12 HB2 LEU 12 1.491 0.400 -8.768 90 HB3 LEU 12 HB1 LEU 12 -0.176 -0.050 -8.428 91 HG LEU 12 HG LEU 12 -0.950 1.695 -10.034 92 HD11 LEU 12 HD11 LEU 12 1.001 2.471 -11.634 93 HD12 LEU 12 HD12 LEU 12 2.018 2.174 -10.222 94 HD13 LEU 12 HD13 LEU 12 0.700 3.344 -10.134 95 HD21 LEU 12 HD21 LEU 12 -0.506 -0.691 -10.696 96 HD22 LEU 12 HD22 LEU 12 1.081 -0.179 -11.271 97 HD23 LEU 12 HD23 LEU 12 -0.380 0.462 -12.023 98 H GLU 13 HN GLU 13 -1.572 1.014 -6.330 99 HA GLU 13 HA GLU 13 -3.668 2.389 -7.678 100 HB2 GLU 13 HB2 GLU 13 -3.556 0.831 -5.099 101 HB3 GLU 13 HB1 GLU 13 -5.042 1.540 -5.730 102 HG2 GLU 13 HG2 GLU 13 -4.896 0.228 -7.752 103 HG3 GLU 13 HG1 GLU 13 -3.289 -0.353 -7.324 104 H ARG 14 HN ARG 14 -1.805 2.980 -4.771 105 HA ARG 14 HA ARG 14 -3.407 4.994 -3.635 106 HB2 ARG 14 HB2 ARG 14 -0.401 4.639 -3.533 107 HB3 ARG 14 HB1 ARG 14 -1.339 5.679 -2.462 108 HG2 ARG 14 HG2 ARG 14 -1.919 2.728 -2.727 109 HG3 ARG 14 HG1 ARG 14 -0.747 3.342 -1.565 110 HD2 ARG 14 HD2 ARG 14 -2.549 4.810 -0.614 111 HD3 ARG 14 HD1 ARG 14 -3.703 4.039 -1.695 112 HE ARG 14 HE ARG 14 -2.487 2.858 0.666 113 HH11 ARG 14 HH11 ARG 14 -3.378 0.869 1.279 114 HH12 ARG 14 HH12 ARG 14 -4.425 0.020 0.191 115 HH21 ARG 14 HH21 ARG 14 -4.223 2.423 -2.300 116 HH22 ARG 14 HH22 ARG 14 -4.905 0.901 -1.836 117 H LEU 15 HN LEU 15 -0.915 5.113 -6.098 118 HA LEU 15 HA LEU 15 -0.476 7.833 -6.295 119 HB2 LEU 15 HB2 LEU 15 -0.331 5.530 -8.136 120 HB3 LEU 15 HB1 LEU 15 -0.510 7.078 -8.955 121 HG LEU 15 HG LEU 15 1.866 6.439 -8.586 122 HD11 LEU 15 HD11 LEU 15 0.715 8.938 -8.275 123 HD12 LEU 15 HD12 LEU 15 2.450 8.634 -8.343 124 HD13 LEU 15 HD13 LEU 15 1.646 8.785 -6.782 125 HD21 LEU 15 HD21 LEU 15 2.765 5.988 -6.488 126 HD22 LEU 15 HD22 LEU 15 1.131 5.392 -6.230 127 HD23 LEU 15 HD23 LEU 15 1.586 6.988 -5.644 128 H LYS 16 HN LYS 16 -3.338 6.097 -6.994 129 HA LYS 16 HA LYS 16 -4.584 7.850 -8.817 130 HB2 LYS 16 HB2 LYS 16 -5.769 6.001 -6.718 131 HB3 LYS 16 HB1 LYS 16 -6.730 6.888 -7.898 132 HG2 LYS 16 HG2 LYS 16 -5.481 5.815 -9.731 133 HG3 LYS 16 HG1 LYS 16 -4.520 4.920 -8.552 134 HD2 LYS 16 HD2 LYS 16 -6.504 3.791 -7.715 135 HD3 LYS 16 HD1 LYS 16 -7.539 4.759 -8.768 136 HE2 LYS 16 HE2 LYS 16 -7.156 2.548 -9.762 137 HE3 LYS 16 HE1 LYS 16 -6.399 3.798 -10.747 138 HZ1 LYS 16 HZ1 LYS 16 -5.091 1.954 -8.836 139 HZ2 LYS 16 HZ2 LYS 16 -4.315 3.329 -9.464 140 HZ3 LYS 16 HZ3 LYS 16 -4.822 2.086 -10.505 141 H ASN 17 HN ASN 17 -4.289 7.928 -5.299 142 HA ASN 17 HA ASN 17 -6.181 9.954 -4.794 143 HB2 ASN 17 HB2 ASN 17 -3.690 9.080 -3.323 144 HB3 ASN 17 HB1 ASN 17 -4.788 10.313 -2.704 145 HD21 ASN 17 HD21 ASN 17 -7.246 9.500 -2.805 146 HD22 ASN 17 HD22 ASN 17 -7.493 7.915 -2.251 147 H GLU 18 HN GLU 18 -2.759 10.030 -5.641 148 HA GLU 18 HA GLU 18 -2.355 12.811 -5.254 149 HB2 GLU 18 HB2 GLU 18 -0.929 10.782 -6.973 150 HB3 GLU 18 HB1 GLU 18 -0.436 12.473 -6.897 151 HG2 GLU 18 HG2 GLU 18 0.803 11.041 -5.270 152 HG3 GLU 18 HG1 GLU 18 -0.116 12.327 -4.491 153 H ARG 19 HN ARG 19 -3.337 10.928 -8.071 154 HA ARG 19 HA ARG 19 -3.382 13.072 -9.926 155 HB2 ARG 19 HB2 ARG 19 -4.880 10.441 -9.911 156 HB3 ARG 19 HB1 ARG 19 -4.855 11.565 -11.270 157 HG2 ARG 19 HG2 ARG 19 -2.428 11.380 -11.439 158 HG3 ARG 19 HG1 ARG 19 -2.381 10.343 -10.012 159 HD2 ARG 19 HD2 ARG 19 -2.271 8.914 -11.954 160 HD3 ARG 19 HD1 ARG 19 -3.865 8.721 -11.233 161 HE ARG 19 HE ARG 19 -3.972 10.754 -13.199 162 HH11 ARG 19 HH11 ARG 19 -4.880 10.251 -15.220 163 HH12 ARG 19 HH12 ARG 19 -5.012 8.597 -15.717 164 HH21 ARG 19 HH21 ARG 19 -3.584 7.337 -12.818 165 HH22 ARG 19 HH22 ARG 19 -4.279 6.947 -14.356 166 H HIS 20 HN HIS 20 -5.784 11.775 -7.698 167 HA HIS 20 HA HIS 20 -8.046 13.127 -8.669 168 HB2 HIS 20 HB2 HIS 20 -8.156 11.324 -7.001 169 HB3 HIS 20 HB1 HIS 20 -7.380 12.372 -5.813 170 HD2 HIS 20 HD2 HIS 20 -10.875 11.964 -7.555 171 HE1 HIS 20 HE1 HIS 20 -11.215 14.987 -4.627 172 HE2 HIS 20 HE2 HIS 20 -12.508 13.550 -6.274 173 H VAL 21 HN VAL 21 -5.758 14.069 -6.153 174 HA VAL 21 HA VAL 21 -6.958 16.618 -5.654 175 HB VAL 21 HB VAL 21 -4.881 17.121 -4.397 176 HG11 VAL 21 HG11 VAL 21 -5.786 14.293 -3.813 177 HG12 VAL 21 HG12 VAL 21 -6.809 15.694 -3.501 178 HG13 VAL 21 HG13 VAL 21 -5.265 15.526 -2.668 179 HG21 VAL 21 HG21 VAL 21 -3.082 15.515 -4.271 180 HG22 VAL 21 HG22 VAL 21 -3.361 15.838 -5.980 181 HG23 VAL 21 HG23 VAL 21 -3.975 14.361 -5.248 182 H HIS 22 HN HIS 22 -4.724 15.436 -8.004 183 HA HIS 22 HA HIS 22 -3.446 17.892 -8.649 184 HB2 HIS 22 HB2 HIS 22 -3.871 15.364 -10.256 185 HB3 HIS 22 HB1 HIS 22 -2.886 16.718 -10.802 186 HD2 HIS 22 HD2 HIS 22 -1.229 13.988 -10.192 187 HE1 HIS 22 HE1 HIS 22 -0.162 15.794 -6.528 188 HE2 HIS 22 HE2 HIS 22 0.421 13.945 -8.168 189 H ASP 23 HN ASP 23 -6.559 16.607 -9.292 190 HA ASP 23 HA ASP 23 -7.166 17.963 -11.709 191 HB2 ASP 23 HB2 ASP 23 -8.930 16.934 -9.476 192 HB3 ASP 23 HB1 ASP 23 -9.562 17.651 -10.956 193 H GLU 24 HN GLU 24 -6.839 19.030 -8.474 194 HA GLU 24 HA GLU 24 -8.570 21.233 -8.414 195 HB2 GLU 24 HB2 GLU 24 -7.368 20.383 -6.406 196 HB3 GLU 24 HB1 GLU 24 -5.854 21.006 -7.058 197 HG2 GLU 24 HG2 GLU 24 -6.750 22.608 -5.477 198 HG3 GLU 24 HG1 GLU 24 -6.866 23.292 -7.096 199 H GLU 25 HN GLU 25 -5.360 20.827 -9.797 200 HA GLU 25 HA GLU 25 -4.750 23.535 -10.282 201 HB2 GLU 25 HB2 GLU 25 -3.112 21.694 -10.519 202 HB3 GLU 25 HB1 GLU 25 -3.967 21.112 -11.945 203 HG2 GLU 25 HG2 GLU 25 -3.553 23.245 -13.088 204 HG3 GLU 25 HG1 GLU 25 -2.741 23.867 -11.652 205 H VAL 26 HN VAL 26 -6.688 21.235 -12.108 206 HA VAL 26 HA VAL 26 -7.021 22.865 -14.413 207 HB VAL 26 HB VAL 26 -8.572 20.482 -13.355 208 HG11 VAL 26 HG11 VAL 26 -9.531 20.496 -15.744 209 HG12 VAL 26 HG12 VAL 26 -8.996 22.176 -15.822 210 HG13 VAL 26 HG13 VAL 26 -10.185 21.685 -14.617 211 HG21 VAL 26 HG21 VAL 26 -6.433 19.764 -14.191 212 HG22 VAL 26 HG22 VAL 26 -6.491 20.912 -15.528 213 HG23 VAL 26 HG23 VAL 26 -7.548 19.502 -15.527 214 H GLU 27 HN GLU 27 -8.849 22.372 -11.448 215 HA GLU 27 HA GLU 27 -11.132 23.868 -12.182 216 HB2 GLU 27 HB2 GLU 27 -9.914 22.921 -9.640 217 HB3 GLU 27 HB1 GLU 27 -11.017 24.283 -9.476 218 HG2 GLU 27 HG2 GLU 27 -11.735 21.743 -10.974 219 HG3 GLU 27 HG1 GLU 27 -12.099 22.000 -9.266 220 H LEU 28 HN LEU 28 -8.260 24.918 -10.360 221 HA LEU 28 HA LEU 28 -9.017 27.622 -10.168 222 HB2 LEU 28 HB2 LEU 28 -6.450 26.097 -9.875 223 HB3 LEU 28 HB1 LEU 28 -6.346 27.850 -10.024 224 HG LEU 28 HG LEU 28 -7.890 28.111 -8.133 225 HD11 LEU 28 HD11 LEU 28 -8.378 25.980 -6.797 226 HD12 LEU 28 HD12 LEU 28 -7.905 25.090 -8.245 227 HD13 LEU 28 HD13 LEU 28 -9.285 26.187 -8.295 228 HD21 LEU 28 HD21 LEU 28 -5.661 26.159 -7.481 229 HD22 LEU 28 HD22 LEU 28 -6.372 27.349 -6.391 230 HD23 LEU 28 HD23 LEU 28 -5.419 27.881 -7.776 231 H GLU 29 HN GLU 29 -7.349 25.817 -12.668 232 HA GLU 29 HA GLU 29 -6.447 28.023 -14.184 233 HB2 GLU 29 HB2 GLU 29 -5.629 25.701 -14.519 234 HB3 GLU 29 HB1 GLU 29 -7.206 25.261 -15.178 235 HG2 GLU 29 HG2 GLU 29 -6.946 26.873 -16.983 236 HG3 GLU 29 HG1 GLU 29 -5.423 27.437 -16.298 237 H ARG 30 HN ARG 30 -9.476 26.208 -14.161 238 HA ARG 30 HA ARG 30 -10.628 27.278 -16.473 239 HB2 ARG 30 HB2 ARG 30 -11.514 25.372 -15.054 240 HB3 ARG 30 HB1 ARG 30 -12.118 26.591 -13.935 241 HG2 ARG 30 HG2 ARG 30 -14.006 26.332 -15.278 242 HG3 ARG 30 HG1 ARG 30 -13.192 27.624 -16.160 243 HD2 ARG 30 HD2 ARG 30 -13.807 25.980 -17.791 244 HD3 ARG 30 HD1 ARG 30 -12.071 25.801 -17.544 245 HE ARG 30 HE ARG 30 -12.473 23.698 -16.649 246 HH11 ARG 30 HH11 ARG 30 -13.827 21.982 -16.018 247 HH12 ARG 30 HH12 ARG 30 -15.528 22.254 -15.835 248 HH21 ARG 30 HH21 ARG 30 -15.355 25.606 -16.704 249 HH22 ARG 30 HH22 ARG 30 -16.394 24.305 -16.224 250 H LEU 31 HN LEU 31 -10.791 28.426 -13.100 251 HA LEU 31 HA LEU 31 -12.450 30.666 -13.639 252 HB2 LEU 31 HB2 LEU 31 -10.565 29.917 -11.425 253 HB3 LEU 31 HB1 LEU 31 -11.273 31.532 -11.451 254 HG LEU 31 HG LEU 31 -12.594 29.840 -10.121 255 HD11 LEU 31 HD11 LEU 31 -14.423 30.558 -12.376 256 HD12 LEU 31 HD12 LEU 31 -13.546 31.898 -11.636 257 HD13 LEU 31 HD13 LEU 31 -14.579 30.871 -10.647 258 HD21 LEU 31 HD21 LEU 31 -13.327 28.667 -12.815 259 HD22 LEU 31 HD22 LEU 31 -13.725 28.039 -11.215 260 HD23 LEU 31 HD23 LEU 31 -12.066 27.980 -11.798 261 H LYS 32 HN LYS 32 -8.955 30.270 -13.611 262 HA LYS 32 HA LYS 32 -8.288 32.982 -13.974 263 HB2 LYS 32 HB2 LYS 32 -6.730 31.161 -13.286 264 HB3 LYS 32 HB1 LYS 32 -6.716 30.589 -14.951 265 HG2 LYS 32 HG2 LYS 32 -6.026 32.953 -15.627 266 HG3 LYS 32 HG1 LYS 32 -5.777 33.271 -13.912 267 HD2 LYS 32 HD2 LYS 32 -4.450 30.986 -15.390 268 HD3 LYS 32 HD1 LYS 32 -3.696 32.563 -15.163 269 HE2 LYS 32 HE2 LYS 32 -4.573 30.654 -12.968 270 HE3 LYS 32 HE1 LYS 32 -2.920 31.067 -13.415 271 HZ1 LYS 32 HZ1 LYS 32 -3.554 32.369 -11.533 272 HZ2 LYS 32 HZ2 LYS 32 -4.962 32.914 -12.312 273 HZ3 LYS 32 HZ3 LYS 32 -3.434 33.396 -12.876 274 H ASN 33 HN ASN 33 -9.109 30.405 -16.220 275 HA ASN 33 HA ASN 33 -8.396 31.818 -18.589 276 HB2 ASN 33 HB2 ASN 33 -8.613 29.364 -18.528 277 HB3 ASN 33 HB1 ASN 33 -10.344 29.529 -18.239 278 HD21 ASN 33 HD21 ASN 33 -7.789 30.059 -20.659 279 HD22 ASN 33 HD22 ASN 33 -8.846 30.186 -21.981 280 H GLU 34 HN GLU 34 -11.406 31.449 -16.765 281 HA GLU 34 HA GLU 34 -13.147 32.652 -18.609 282 HB2 GLU 34 HB2 GLU 34 -13.204 32.504 -15.593 283 HB3 GLU 34 HB1 GLU 34 -14.529 33.170 -16.547 284 HG2 GLU 34 HG2 GLU 34 -13.395 30.405 -17.011 285 HG3 GLU 34 HG1 GLU 34 -14.759 30.712 -15.938 286 H ARG 35 HN ARG 35 -11.312 34.107 -15.919 287 HA ARG 35 HA ARG 35 -12.249 36.760 -16.437 288 HB2 ARG 35 HB2 ARG 35 -10.492 37.448 -14.870 289 HB3 ARG 35 HB1 ARG 35 -11.396 36.073 -14.237 290 HG2 ARG 35 HG2 ARG 35 -9.636 34.545 -15.037 291 HG3 ARG 35 HG1 ARG 35 -8.708 35.913 -15.646 292 HD2 ARG 35 HD2 ARG 35 -9.473 35.421 -12.755 293 HD3 ARG 35 HD1 ARG 35 -7.871 35.219 -13.458 294 HE ARG 35 HE ARG 35 -7.683 37.580 -13.672 295 HH11 ARG 35 HH11 ARG 35 -8.184 39.622 -12.823 296 HH12 ARG 35 HH12 ARG 35 -9.652 39.847 -11.930 297 HH21 ARG 35 HH21 ARG 35 -10.683 36.558 -12.271 298 HH22 ARG 35 HH22 ARG 35 -11.058 38.114 -11.615 299 H HIS 36 HN HIS 36 -9.527 34.847 -17.503 300 HA HIS 36 HA HIS 36 -7.953 36.903 -18.607 301 HB2 HIS 36 HB2 HIS 36 -7.059 34.636 -18.271 302 HB3 HIS 36 HB1 HIS 36 -8.152 33.999 -19.497 303 HD2 HIS 36 HD2 HIS 36 -4.980 36.339 -19.314 304 HE1 HIS 36 HE1 HIS 36 -5.595 35.191 -23.330 305 HE2 HIS 36 HE2 HIS 36 -4.022 36.398 -21.743 306 H ASP 37 HN ASP 37 -10.600 34.988 -19.962 307 HA ASP 37 HA ASP 37 -10.385 36.152 -22.574 308 HB2 ASP 37 HB2 ASP 37 -12.547 34.485 -21.252 309 HB3 ASP 37 HB1 ASP 37 -12.608 35.029 -22.927 310 H HIS 38 HN HIS 38 -12.061 36.889 -19.613 311 HA HIS 38 HA HIS 38 -13.819 38.835 -20.908 312 HB2 HIS 38 HB2 HIS 38 -14.492 37.312 -18.934 313 HB3 HIS 38 HB1 HIS 38 -13.542 38.407 -17.930 314 HD2 HIS 38 HD2 HIS 38 -15.127 40.448 -16.980 315 HE1 HIS 38 HE1 HIS 38 -17.920 40.577 -20.140 316 HE2 HIS 38 HE2 HIS 38 -17.284 41.594 -17.902 317 H ASP 39 HN ASP 39 -10.669 38.794 -19.960 318 HA ASP 39 HA ASP 39 -9.101 40.413 -19.504 319 HB2 ASP 39 HB2 ASP 39 -11.271 42.236 -20.571 320 HB3 ASP 39 HB1 ASP 39 -9.578 42.673 -20.350 321 H TYR 40 HN TYR 40 -10.735 39.579 -17.327 322 HA TYR 40 HA TYR 40 -11.203 42.072 -15.799 323 HB2 TYR 40 HB2 TYR 40 -13.025 40.319 -15.971 324 HB3 TYR 40 HB1 TYR 40 -11.986 39.255 -15.020 325 HD1 TYR 40 HD1 TYR 40 -13.585 42.631 -15.008 326 HD2 TYR 40 HD2 TYR 40 -11.899 39.449 -12.667 327 HE1 TYR 40 HE1 TYR 40 -14.343 43.758 -12.934 328 HE2 TYR 40 HE2 TYR 40 -12.657 40.575 -10.592 329 HH TYR 40 HH TYR 40 -13.258 43.429 -10.166 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 9.772 -10.632 10.621 2 H2 GLY 1 HT2 GLY 1 8.691 -11.409 9.565 3 H3 GLY 1 HT3 GLY 1 8.099 -10.453 10.839 4 HA2 GLY 1 HA2 GLY 1 8.281 -8.569 9.692 5 HA3 GLY 1 HA1 GLY 1 9.882 -9.021 9.106 6 H SER 2 HN SER 2 7.109 -11.115 8.743 7 HA SER 2 HA SER 2 7.475 -11.294 5.910 8 HB2 SER 2 HB2 SER 2 5.627 -12.842 5.956 9 HB3 SER 2 HB1 SER 2 6.647 -13.163 7.355 10 HG SER 2 HG SER 2 5.136 -11.600 8.432 11 H VAL 3 HN VAL 3 5.703 -10.930 4.347 12 HA VAL 3 HA VAL 3 4.582 -9.227 3.228 13 HB VAL 3 HB VAL 3 2.835 -10.680 4.174 14 HG11 VAL 3 HG11 VAL 3 3.047 -8.787 6.540 15 HG12 VAL 3 HG12 VAL 3 3.237 -10.534 6.536 16 HG13 VAL 3 HG13 VAL 3 1.658 -9.821 6.261 17 HG21 VAL 3 HG21 VAL 3 1.154 -9.250 3.495 18 HG22 VAL 3 HG22 VAL 3 2.483 -8.180 3.076 19 HG23 VAL 3 HG23 VAL 3 1.632 -7.973 4.602 20 H LYS 4 HN LYS 4 6.587 -8.225 5.122 21 HA LYS 4 HA LYS 4 5.339 -5.852 6.298 22 HB2 LYS 4 HB2 LYS 4 7.280 -7.324 7.307 23 HB3 LYS 4 HB1 LYS 4 8.315 -6.369 6.259 24 HG2 LYS 4 HG2 LYS 4 8.326 -5.056 8.195 25 HG3 LYS 4 HG1 LYS 4 7.007 -4.316 7.289 26 HD2 LYS 4 HD2 LYS 4 5.344 -5.479 8.571 27 HD3 LYS 4 HD1 LYS 4 6.545 -6.537 9.304 28 HE2 LYS 4 HE2 LYS 4 7.567 -4.621 10.432 29 HE3 LYS 4 HE1 LYS 4 6.375 -3.550 9.704 30 HZ1 LYS 4 HZ1 LYS 4 4.780 -5.366 10.778 31 HZ2 LYS 4 HZ2 LYS 4 5.290 -3.977 11.613 32 HZ3 LYS 4 HZ3 LYS 4 6.074 -5.462 11.870 33 H LYS 5 HN LYS 5 4.854 -4.328 4.837 34 HA LYS 5 HA LYS 5 7.024 -3.094 3.336 35 HB2 LYS 5 HB2 LYS 5 5.886 -3.279 1.169 36 HB3 LYS 5 HB1 LYS 5 6.280 -4.875 1.806 37 HG2 LYS 5 HG2 LYS 5 3.956 -5.053 2.697 38 HG3 LYS 5 HG1 LYS 5 3.575 -3.507 1.946 39 HD2 LYS 5 HD2 LYS 5 4.215 -4.458 -0.267 40 HD3 LYS 5 HD1 LYS 5 4.460 -6.021 0.513 41 HE2 LYS 5 HE2 LYS 5 1.854 -4.474 0.560 42 HE3 LYS 5 HE1 LYS 5 2.202 -5.815 -0.532 43 HZ1 LYS 5 HZ1 LYS 5 1.002 -6.574 1.410 44 HZ2 LYS 5 HZ2 LYS 5 2.197 -5.938 2.437 45 HZ3 LYS 5 HZ3 LYS 5 2.566 -7.231 1.399 46 H LEU 6 HN LEU 6 5.302 -2.271 5.499 47 HA LEU 6 HA LEU 6 3.095 -0.740 4.725 48 HB2 LEU 6 HB2 LEU 6 3.431 0.491 6.804 49 HB3 LEU 6 HB1 LEU 6 3.689 -1.229 7.066 50 HG LEU 6 HG LEU 6 6.257 -0.388 6.359 51 HD11 LEU 6 HD11 LEU 6 5.041 1.766 8.115 52 HD12 LEU 6 HD12 LEU 6 5.461 1.988 6.421 53 HD13 LEU 6 HD13 LEU 6 6.721 1.655 7.601 54 HD21 LEU 6 HD21 LEU 6 4.918 -0.662 9.059 55 HD22 LEU 6 HD22 LEU 6 6.657 -0.424 8.880 56 HD23 LEU 6 HD23 LEU 6 5.888 -1.854 8.195 57 H ASN 7 HN ASN 7 6.532 -0.094 4.484 58 HA ASN 7 HA ASN 7 6.437 2.690 4.090 59 HB2 ASN 7 HB2 ASN 7 8.494 1.291 4.516 60 HB3 ASN 7 HB1 ASN 7 8.424 0.809 2.823 61 HD21 ASN 7 HD21 ASN 7 10.388 1.952 2.239 62 HD22 ASN 7 HD22 ASN 7 10.460 3.647 2.213 63 H ASP 8 HN ASP 8 6.098 -0.014 1.862 64 HA ASP 8 HA ASP 8 6.038 1.592 -0.502 65 HB2 ASP 8 HB2 ASP 8 6.635 -0.827 -0.481 66 HB3 ASP 8 HB1 ASP 8 4.957 -1.203 -0.100 67 H GLU 9 HN GLU 9 3.582 0.177 1.603 68 HA GLU 9 HA GLU 9 1.332 0.804 0.041 69 HB2 GLU 9 HB2 GLU 9 1.628 0.454 3.041 70 HB3 GLU 9 HB1 GLU 9 0.079 0.662 2.230 71 HG2 GLU 9 HG2 GLU 9 2.078 -1.484 1.485 72 HG3 GLU 9 HG1 GLU 9 0.770 -1.734 2.640 73 H VAL 10 HN VAL 10 2.979 2.677 2.575 74 HA VAL 10 HA VAL 10 1.126 4.848 2.478 75 HB VAL 10 HB VAL 10 2.503 4.357 4.469 76 HG11 VAL 10 HG11 VAL 10 4.812 5.339 2.763 77 HG12 VAL 10 HG12 VAL 10 4.513 3.669 3.203 78 HG13 VAL 10 HG13 VAL 10 4.891 4.835 4.449 79 HG21 VAL 10 HG21 VAL 10 3.278 7.038 3.299 80 HG22 VAL 10 HG22 VAL 10 3.005 6.638 4.994 81 HG23 VAL 10 HG23 VAL 10 1.647 6.689 3.871 82 H ALA 11 HN ALA 11 4.127 4.040 0.873 83 HA ALA 11 HA ALA 11 4.740 6.581 -0.205 84 HB1 ALA 11 HB1 ALA 11 5.308 3.844 -1.382 85 HB2 ALA 11 HB2 ALA 11 6.335 4.697 -0.225 86 HB3 ALA 11 HB3 ALA 11 6.095 5.350 -1.843 87 H LEU 12 HN LEU 12 2.793 3.890 -1.472 88 HA LEU 12 HA LEU 12 2.176 5.116 -3.937 89 HB2 LEU 12 HB2 LEU 12 1.917 2.698 -3.587 90 HB3 LEU 12 HB1 LEU 12 0.640 2.983 -2.416 91 HG LEU 12 HG LEU 12 -0.717 4.101 -4.172 92 HD11 LEU 12 HD11 LEU 12 0.230 3.548 -6.593 93 HD12 LEU 12 HD12 LEU 12 1.785 3.588 -5.766 94 HD13 LEU 12 HD13 LEU 12 0.735 5.006 -5.749 95 HD21 LEU 12 HD21 LEU 12 0.308 1.331 -4.828 96 HD22 LEU 12 HD22 LEU 12 -1.135 2.052 -5.538 97 HD23 LEU 12 HD23 LEU 12 -1.072 1.733 -3.805 98 H GLU 13 HN GLU 13 0.593 5.114 -0.768 99 HA GLU 13 HA GLU 13 -1.809 6.359 -1.518 100 HB2 GLU 13 HB2 GLU 13 -1.429 5.305 0.685 101 HB3 GLU 13 HB1 GLU 13 -0.286 6.584 1.093 102 HG2 GLU 13 HG2 GLU 13 -2.070 8.270 0.870 103 HG3 GLU 13 HG1 GLU 13 -3.210 7.007 0.412 104 H ARG 14 HN ARG 14 1.326 7.712 -0.534 105 HA ARG 14 HA ARG 14 0.557 10.410 -0.454 106 HB2 ARG 14 HB2 ARG 14 2.728 9.409 0.387 107 HB3 ARG 14 HB1 ARG 14 3.272 9.375 -1.283 108 HG2 ARG 14 HG2 ARG 14 4.088 11.436 -0.373 109 HG3 ARG 14 HG1 ARG 14 2.727 11.858 -1.409 110 HD2 ARG 14 HD2 ARG 14 2.087 11.305 1.472 111 HD3 ARG 14 HD1 ARG 14 2.935 12.796 1.108 112 HE ARG 14 HE ARG 14 0.205 12.145 0.414 113 HH11 ARG 14 HH11 ARG 14 -0.967 13.822 -0.566 114 HH12 ARG 14 HH12 ARG 14 -0.132 15.201 -1.197 115 HH21 ARG 14 HH21 ARG 14 3.008 14.043 -0.287 116 HH22 ARG 14 HH22 ARG 14 2.120 15.328 -1.038 117 H LEU 15 HN LEU 15 1.850 8.434 -3.096 118 HA LEU 15 HA LEU 15 1.961 10.506 -5.026 119 HB2 LEU 15 HB2 LEU 15 1.702 7.499 -5.342 120 HB3 LEU 15 HB1 LEU 15 1.984 8.611 -6.674 121 HG LEU 15 HG LEU 15 3.760 8.421 -4.226 122 HD11 LEU 15 HD11 LEU 15 4.135 7.214 -6.983 123 HD12 LEU 15 HD12 LEU 15 3.795 6.309 -5.508 124 HD13 LEU 15 HD13 LEU 15 5.320 7.181 -5.678 125 HD21 LEU 15 HD21 LEU 15 5.341 9.505 -6.077 126 HD22 LEU 15 HD22 LEU 15 4.234 10.504 -5.158 127 HD23 LEU 15 HD23 LEU 15 3.813 10.005 -6.794 128 H LYS 16 HN LYS 16 -0.573 8.304 -4.026 129 HA LYS 16 HA LYS 16 -2.364 8.831 -6.141 130 HB2 LYS 16 HB2 LYS 16 -2.617 6.909 -4.589 131 HB3 LYS 16 HB1 LYS 16 -3.020 8.012 -3.284 132 HG2 LYS 16 HG2 LYS 16 -5.086 7.187 -4.170 133 HG3 LYS 16 HG1 LYS 16 -4.942 8.857 -4.694 134 HD2 LYS 16 HD2 LYS 16 -4.359 8.250 -6.909 135 HD3 LYS 16 HD1 LYS 16 -3.965 6.594 -6.445 136 HE2 LYS 16 HE2 LYS 16 -6.334 6.188 -5.947 137 HE3 LYS 16 HE1 LYS 16 -6.719 7.852 -6.387 138 HZ1 LYS 16 HZ1 LYS 16 -5.450 7.145 -8.563 139 HZ2 LYS 16 HZ2 LYS 16 -7.107 6.829 -8.360 140 HZ3 LYS 16 HZ3 LYS 16 -5.966 5.599 -8.091 141 H ASN 17 HN ASN 17 -1.839 10.396 -3.011 142 HA ASN 17 HA ASN 17 -4.066 12.125 -3.102 143 HB2 ASN 17 HB2 ASN 17 -2.772 11.659 -1.050 144 HB3 ASN 17 HB1 ASN 17 -1.400 12.529 -1.732 145 HD21 ASN 17 HD21 ASN 17 -2.544 13.461 0.674 146 HD22 ASN 17 HD22 ASN 17 -3.355 14.921 0.378 147 H GLU 18 HN GLU 18 -0.755 12.394 -4.281 148 HA GLU 18 HA GLU 18 -0.793 15.124 -4.987 149 HB2 GLU 18 HB2 GLU 18 0.738 12.799 -6.173 150 HB3 GLU 18 HB1 GLU 18 1.025 14.486 -6.592 151 HG2 GLU 18 HG2 GLU 18 1.562 15.030 -4.284 152 HG3 GLU 18 HG1 GLU 18 1.147 13.396 -3.771 153 H ARG 19 HN ARG 19 -1.716 12.224 -6.784 154 HA ARG 19 HA ARG 19 -2.283 13.523 -9.248 155 HB2 ARG 19 HB2 ARG 19 -1.924 11.050 -8.967 156 HB3 ARG 19 HB1 ARG 19 -3.529 10.961 -8.233 157 HG2 ARG 19 HG2 ARG 19 -4.493 11.959 -10.295 158 HG3 ARG 19 HG1 ARG 19 -2.889 11.947 -11.028 159 HD2 ARG 19 HD2 ARG 19 -3.973 9.957 -11.789 160 HD3 ARG 19 HD1 ARG 19 -2.825 9.450 -10.555 161 HE ARG 19 HE ARG 19 -4.617 8.861 -9.178 162 HH11 ARG 19 HH11 ARG 19 -6.830 8.472 -8.829 163 HH12 ARG 19 HH12 ARG 19 -8.002 9.141 -9.914 164 HH21 ARG 19 HH21 ARG 19 -5.645 10.691 -11.930 165 HH22 ARG 19 HH22 ARG 19 -7.332 10.397 -11.669 166 H HIS 20 HN HIS 20 -4.216 12.810 -6.397 167 HA HIS 20 HA HIS 20 -6.751 13.408 -7.424 168 HB2 HIS 20 HB2 HIS 20 -6.384 12.353 -5.224 169 HB3 HIS 20 HB1 HIS 20 -5.717 13.867 -4.613 170 HD2 HIS 20 HD2 HIS 20 -9.210 12.329 -5.519 171 HE1 HIS 20 HE1 HIS 20 -9.859 16.182 -3.918 172 HE2 HIS 20 HE2 HIS 20 -10.995 14.043 -4.683 173 H VAL 21 HN VAL 21 -4.420 15.506 -5.810 174 HA VAL 21 HA VAL 21 -6.012 17.876 -6.085 175 HB VAL 21 HB VAL 21 -3.963 19.069 -5.354 176 HG11 VAL 21 HG11 VAL 21 -3.894 18.092 -3.136 177 HG12 VAL 21 HG12 VAL 21 -4.484 16.549 -3.745 178 HG13 VAL 21 HG13 VAL 21 -5.544 17.956 -3.742 179 HG21 VAL 21 HG21 VAL 21 -2.702 16.319 -5.298 180 HG22 VAL 21 HG22 VAL 21 -1.935 17.833 -4.883 181 HG23 VAL 21 HG23 VAL 21 -2.371 17.504 -6.549 182 H HIS 22 HN HIS 22 -3.747 16.207 -8.091 183 HA HIS 22 HA HIS 22 -2.889 18.317 -9.743 184 HB2 HIS 22 HB2 HIS 22 -1.775 16.162 -9.801 185 HB3 HIS 22 HB1 HIS 22 -3.224 15.375 -10.376 186 HD2 HIS 22 HD2 HIS 22 -3.439 15.293 -13.115 187 HE1 HIS 22 HE1 HIS 22 -0.651 18.336 -13.996 188 HE2 HIS 22 HE2 HIS 22 -2.181 16.579 -15.006 189 H ASP 23 HN ASP 23 -5.699 16.136 -9.941 190 HA ASP 23 HA ASP 23 -6.655 17.274 -12.400 191 HB2 ASP 23 HB2 ASP 23 -8.749 15.986 -11.776 192 HB3 ASP 23 HB1 ASP 23 -7.282 15.024 -11.948 193 H GLU 24 HN GLU 24 -7.367 17.670 -8.970 194 HA GLU 24 HA GLU 24 -9.633 19.335 -9.207 195 HB2 GLU 24 HB2 GLU 24 -8.908 18.295 -7.077 196 HB3 GLU 24 HB1 GLU 24 -7.532 19.398 -7.024 197 HG2 GLU 24 HG2 GLU 24 -9.031 21.322 -6.963 198 HG3 GLU 24 HG1 GLU 24 -10.433 20.262 -7.111 199 H GLU 25 HN GLU 25 -6.239 19.987 -9.580 200 HA GLU 25 HA GLU 25 -6.193 22.774 -9.223 201 HB2 GLU 25 HB2 GLU 25 -4.168 21.369 -9.514 202 HB3 GLU 25 HB1 GLU 25 -4.572 21.140 -11.210 203 HG2 GLU 25 HG2 GLU 25 -4.446 23.560 -11.595 204 HG3 GLU 25 HG1 GLU 25 -4.090 23.821 -9.889 205 H VAL 26 HN VAL 26 -7.190 20.825 -11.985 206 HA VAL 26 HA VAL 26 -7.273 22.656 -14.017 207 HB VAL 26 HB VAL 26 -8.034 20.175 -14.011 208 HG11 VAL 26 HG11 VAL 26 -9.852 20.741 -12.222 209 HG12 VAL 26 HG12 VAL 26 -10.309 19.688 -13.553 210 HG13 VAL 26 HG13 VAL 26 -10.768 21.388 -13.575 211 HG21 VAL 26 HG21 VAL 26 -9.594 20.605 -15.926 212 HG22 VAL 26 HG22 VAL 26 -8.082 21.510 -16.029 213 HG23 VAL 26 HG23 VAL 26 -9.561 22.319 -15.508 214 H GLU 27 HN GLU 27 -9.227 22.541 -11.136 215 HA GLU 27 HA GLU 27 -11.401 24.132 -11.986 216 HB2 GLU 27 HB2 GLU 27 -11.405 22.855 -9.876 217 HB3 GLU 27 HB1 GLU 27 -10.167 23.930 -9.228 218 HG2 GLU 27 HG2 GLU 27 -12.366 24.642 -8.434 219 HG3 GLU 27 HG1 GLU 27 -11.728 25.858 -9.525 220 H LEU 28 HN LEU 28 -8.281 24.986 -10.567 221 HA LEU 28 HA LEU 28 -8.799 27.788 -10.476 222 HB2 LEU 28 HB2 LEU 28 -6.335 26.079 -10.232 223 HB3 LEU 28 HB1 LEU 28 -6.163 27.827 -10.366 224 HG LEU 28 HG LEU 28 -8.096 26.660 -8.341 225 HD11 LEU 28 HD11 LEU 28 -6.141 26.891 -6.708 226 HD12 LEU 28 HD12 LEU 28 -5.089 26.884 -8.124 227 HD13 LEU 28 HD13 LEU 28 -6.109 25.488 -7.773 228 HD21 LEU 28 HD21 LEU 28 -7.460 28.769 -7.163 229 HD22 LEU 28 HD22 LEU 28 -8.158 29.083 -8.740 230 HD23 LEU 28 HD23 LEU 28 -6.418 29.189 -8.513 231 H GLU 29 HN GLU 29 -7.396 25.626 -12.839 232 HA GLU 29 HA GLU 29 -6.299 27.579 -14.564 233 HB2 GLU 29 HB2 GLU 29 -5.808 25.158 -14.747 234 HB3 GLU 29 HB1 GLU 29 -7.466 24.879 -15.290 235 HG2 GLU 29 HG2 GLU 29 -7.107 26.282 -17.246 236 HG3 GLU 29 HG1 GLU 29 -5.490 26.701 -16.683 237 H ARG 30 HN ARG 30 -9.514 26.066 -14.477 238 HA ARG 30 HA ARG 30 -10.554 27.360 -16.765 239 HB2 ARG 30 HB2 ARG 30 -11.616 25.389 -15.736 240 HB3 ARG 30 HB1 ARG 30 -12.024 26.355 -14.319 241 HG2 ARG 30 HG2 ARG 30 -13.423 27.830 -15.665 242 HG3 ARG 30 HG1 ARG 30 -12.936 26.991 -17.138 243 HD2 ARG 30 HD2 ARG 30 -13.965 24.921 -16.317 244 HD3 ARG 30 HD1 ARG 30 -14.418 25.725 -14.817 245 HE ARG 30 HE ARG 30 -15.704 26.029 -17.413 246 HH11 ARG 30 HH11 ARG 30 -17.611 27.266 -17.385 247 HH12 ARG 30 HH12 ARG 30 -18.003 28.212 -15.989 248 HH21 ARG 30 HH21 ARG 30 -15.168 27.272 -14.228 249 HH22 ARG 30 HH22 ARG 30 -16.620 28.217 -14.201 250 H LEU 31 HN LEU 31 -10.527 28.237 -13.335 251 HA LEU 31 HA LEU 31 -12.182 30.481 -13.501 252 HB2 LEU 31 HB2 LEU 31 -11.540 29.512 -11.351 253 HB3 LEU 31 HB1 LEU 31 -9.854 29.940 -11.636 254 HG LEU 31 HG LEU 31 -10.468 32.343 -11.662 255 HD11 LEU 31 HD11 LEU 31 -12.669 32.480 -12.449 256 HD12 LEU 31 HD12 LEU 31 -12.898 32.761 -10.729 257 HD13 LEU 31 HD13 LEU 31 -13.235 31.170 -11.411 258 HD21 LEU 31 HD21 LEU 31 -10.909 32.578 -9.312 259 HD22 LEU 31 HD22 LEU 31 -9.887 31.156 -9.527 260 HD23 LEU 31 HD23 LEU 31 -11.615 30.965 -9.230 261 H LYS 32 HN LYS 32 -8.670 30.173 -13.836 262 HA LYS 32 HA LYS 32 -8.149 32.920 -14.216 263 HB2 LYS 32 HB2 LYS 32 -6.614 30.451 -14.974 264 HB3 LYS 32 HB1 LYS 32 -6.008 32.074 -15.282 265 HG2 LYS 32 HG2 LYS 32 -6.348 32.556 -12.811 266 HG3 LYS 32 HG1 LYS 32 -6.700 30.842 -12.601 267 HD2 LYS 32 HD2 LYS 32 -4.152 31.808 -13.914 268 HD3 LYS 32 HD1 LYS 32 -4.277 31.576 -12.174 269 HE2 LYS 32 HE2 LYS 32 -5.027 29.212 -12.616 270 HE3 LYS 32 HE1 LYS 32 -4.678 29.473 -14.321 271 HZ1 LYS 32 HZ1 LYS 32 -2.708 28.636 -13.643 272 HZ2 LYS 32 HZ2 LYS 32 -2.842 29.258 -12.068 273 HZ3 LYS 32 HZ3 LYS 32 -2.408 30.281 -13.353 274 H ASN 33 HN ASN 33 -8.986 30.313 -16.414 275 HA ASN 33 HA ASN 33 -8.391 31.581 -18.845 276 HB2 ASN 33 HB2 ASN 33 -8.988 29.157 -18.556 277 HB3 ASN 33 HB1 ASN 33 -10.670 29.652 -18.341 278 HD21 ASN 33 HD21 ASN 33 -11.655 29.021 -20.282 279 HD22 ASN 33 HD22 ASN 33 -11.095 29.463 -21.823 280 H GLU 34 HN GLU 34 -11.449 31.474 -17.020 281 HA GLU 34 HA GLU 34 -12.801 33.244 -18.829 282 HB2 GLU 34 HB2 GLU 34 -14.575 33.253 -17.112 283 HB3 GLU 34 HB1 GLU 34 -14.054 31.615 -17.509 284 HG2 GLU 34 HG2 GLU 34 -12.564 31.628 -15.539 285 HG3 GLU 34 HG1 GLU 34 -13.129 33.245 -15.121 286 H ARG 35 HN ARG 35 -10.915 33.607 -15.938 287 HA ARG 35 HA ARG 35 -11.706 36.221 -15.213 288 HB2 ARG 35 HB2 ARG 35 -10.397 34.691 -13.735 289 HB3 ARG 35 HB1 ARG 35 -8.998 34.962 -14.771 290 HG2 ARG 35 HG2 ARG 35 -9.008 37.326 -14.295 291 HG3 ARG 35 HG1 ARG 35 -10.508 37.170 -13.380 292 HD2 ARG 35 HD2 ARG 35 -7.939 35.735 -12.664 293 HD3 ARG 35 HD1 ARG 35 -8.444 37.261 -11.940 294 HE ARG 35 HE ARG 35 -9.540 34.638 -11.384 295 HH11 ARG 35 HH11 ARG 35 -11.142 34.581 -9.772 296 HH12 ARG 35 HH12 ARG 35 -11.897 36.051 -9.255 297 HH21 ARG 35 HH21 ARG 35 -10.063 38.060 -11.407 298 HH22 ARG 35 HH22 ARG 35 -11.286 38.021 -10.180 299 H HIS 36 HN HIS 36 -9.454 34.999 -17.581 300 HA HIS 36 HA HIS 36 -7.930 37.279 -18.086 301 HB2 HIS 36 HB2 HIS 36 -7.457 35.057 -19.074 302 HB3 HIS 36 HB1 HIS 36 -8.880 35.231 -20.108 303 HD2 HIS 36 HD2 HIS 36 -5.274 36.784 -19.760 304 HE1 HIS 36 HE1 HIS 36 -6.955 38.103 -23.401 305 HE2 HIS 36 HE2 HIS 36 -4.844 38.072 -21.991 306 H ASP 37 HN ASP 37 -11.237 36.627 -18.764 307 HA ASP 37 HA ASP 37 -11.704 38.324 -20.950 308 HB2 ASP 37 HB2 ASP 37 -13.496 37.486 -18.653 309 HB3 ASP 37 HB1 ASP 37 -14.056 38.458 -20.010 310 H HIS 38 HN HIS 38 -11.410 39.018 -17.481 311 HA HIS 38 HA HIS 38 -12.329 41.701 -17.665 312 HB2 HIS 38 HB2 HIS 38 -10.762 40.178 -15.566 313 HB3 HIS 38 HB1 HIS 38 -11.247 41.840 -15.402 314 HD2 HIS 38 HD2 HIS 38 -13.919 42.233 -14.657 315 HE1 HIS 38 HE1 HIS 38 -15.123 38.200 -14.996 316 HE2 HIS 38 HE2 HIS 38 -15.848 40.519 -14.254 317 H ASP 39 HN ASP 39 -9.321 40.082 -18.223 318 HA ASP 39 HA ASP 39 -7.654 42.420 -17.957 319 HB2 ASP 39 HB2 ASP 39 -7.153 39.685 -19.160 320 HB3 ASP 39 HB1 ASP 39 -5.940 40.957 -19.080 321 H TYR 40 HN TYR 40 -9.492 40.883 -20.495 322 HA TYR 40 HA TYR 40 -9.250 43.176 -22.194 323 HB2 TYR 40 HB2 TYR 40 -7.075 42.135 -22.679 324 HB3 TYR 40 HB1 TYR 40 -7.888 40.625 -23.092 325 HD1 TYR 40 HD1 TYR 40 -7.630 44.229 -24.019 326 HD2 TYR 40 HD2 TYR 40 -8.822 40.290 -25.249 327 HE1 TYR 40 HE1 TYR 40 -7.995 45.059 -26.327 328 HE2 TYR 40 HE2 TYR 40 -9.186 41.120 -27.557 329 HH TYR 40 HH TYR 40 -8.407 44.471 -28.447 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 10.547 -6.749 1.653 2 H2 GLY 1 HT2 GLY 1 11.575 -6.808 0.303 3 H3 GLY 1 HT3 GLY 1 11.284 -8.212 1.215 4 HA2 GLY 1 HA2 GLY 1 9.013 -6.823 -0.028 5 HA3 GLY 1 HA1 GLY 1 10.045 -7.851 -1.023 6 H SER 2 HN SER 2 9.237 -8.261 2.399 7 HA SER 2 HA SER 2 8.703 -11.025 2.147 8 HB2 SER 2 HB2 SER 2 7.901 -10.884 4.447 9 HB3 SER 2 HB1 SER 2 9.375 -9.936 4.266 10 HG SER 2 HG SER 2 7.085 -8.542 3.704 11 H VAL 3 HN VAL 3 6.735 -8.221 1.649 12 HA VAL 3 HA VAL 3 4.400 -9.971 1.140 13 HB VAL 3 HB VAL 3 2.923 -8.235 2.057 14 HG11 VAL 3 HG11 VAL 3 5.137 -9.095 3.943 15 HG12 VAL 3 HG12 VAL 3 3.687 -10.019 3.552 16 HG13 VAL 3 HG13 VAL 3 3.553 -8.505 4.446 17 HG21 VAL 3 HG21 VAL 3 5.543 -6.854 2.712 18 HG22 VAL 3 HG22 VAL 3 3.985 -6.379 3.388 19 HG23 VAL 3 HG23 VAL 3 4.269 -6.255 1.652 20 H LYS 4 HN LYS 4 2.633 -8.275 0.040 21 HA LYS 4 HA LYS 4 3.912 -6.487 -1.861 22 HB2 LYS 4 HB2 LYS 4 3.046 -7.691 -3.832 23 HB3 LYS 4 HB1 LYS 4 4.217 -8.669 -2.946 24 HG2 LYS 4 HG2 LYS 4 2.344 -9.819 -1.785 25 HG3 LYS 4 HG1 LYS 4 1.197 -8.887 -2.749 26 HD2 LYS 4 HD2 LYS 4 2.197 -9.833 -4.816 27 HD3 LYS 4 HD1 LYS 4 3.276 -10.814 -3.822 28 HE2 LYS 4 HE2 LYS 4 0.246 -10.918 -3.726 29 HE3 LYS 4 HE1 LYS 4 1.277 -12.096 -4.539 30 HZ1 LYS 4 HZ1 LYS 4 1.385 -11.444 -1.644 31 HZ2 LYS 4 HZ2 LYS 4 2.313 -12.622 -2.442 32 HZ3 LYS 4 HZ3 LYS 4 0.630 -12.810 -2.305 33 H LYS 5 HN LYS 5 1.227 -7.751 -0.177 34 HA LYS 5 HA LYS 5 -0.906 -6.581 -1.592 35 HB2 LYS 5 HB2 LYS 5 -1.298 -8.274 0.121 36 HB3 LYS 5 HB1 LYS 5 -0.666 -7.201 1.366 37 HG2 LYS 5 HG2 LYS 5 -2.483 -5.673 1.108 38 HG3 LYS 5 HG1 LYS 5 -3.004 -6.439 -0.391 39 HD2 LYS 5 HD2 LYS 5 -4.502 -7.143 1.379 40 HD3 LYS 5 HD1 LYS 5 -3.509 -8.522 0.916 41 HE2 LYS 5 HE2 LYS 5 -3.738 -8.251 3.394 42 HE3 LYS 5 HE1 LYS 5 -2.067 -8.197 2.852 43 HZ1 LYS 5 HZ1 LYS 5 -3.249 -6.344 4.406 44 HZ2 LYS 5 HZ2 LYS 5 -3.391 -5.635 2.868 45 HZ3 LYS 5 HZ3 LYS 5 -1.862 -6.071 3.469 46 H LEU 6 HN LEU 6 1.212 -5.301 0.953 47 HA LEU 6 HA LEU 6 -0.185 -2.837 1.223 48 HB2 LEU 6 HB2 LEU 6 2.578 -3.727 2.036 49 HB3 LEU 6 HB1 LEU 6 2.026 -2.074 2.283 50 HG LEU 6 HG LEU 6 1.668 -3.583 4.273 51 HD11 LEU 6 HD11 LEU 6 -0.265 -2.492 4.881 52 HD12 LEU 6 HD12 LEU 6 -1.090 -2.842 3.364 53 HD13 LEU 6 HD13 LEU 6 0.104 -1.547 3.439 54 HD21 LEU 6 HD21 LEU 6 0.111 -5.367 4.201 55 HD22 LEU 6 HD22 LEU 6 1.066 -5.567 2.734 56 HD23 LEU 6 HD23 LEU 6 -0.543 -4.848 2.650 57 H ASN 7 HN ASN 7 2.487 -3.927 -0.791 58 HA ASN 7 HA ASN 7 3.362 -1.444 -1.747 59 HB2 ASN 7 HB2 ASN 7 4.554 -3.580 -2.122 60 HB3 ASN 7 HB1 ASN 7 3.280 -4.082 -3.233 61 HD21 ASN 7 HD21 ASN 7 5.676 -4.021 -4.452 62 HD22 ASN 7 HD22 ASN 7 5.885 -2.622 -5.391 63 H ASP 8 HN ASP 8 0.806 -3.606 -2.988 64 HA ASP 8 HA ASP 8 0.169 -1.820 -5.158 65 HB2 ASP 8 HB2 ASP 8 -1.751 -3.328 -5.535 66 HB3 ASP 8 HB1 ASP 8 -0.233 -4.209 -5.410 67 H GLU 9 HN GLU 9 -0.992 -2.360 -1.893 68 HA GLU 9 HA GLU 9 -3.412 -0.909 -2.094 69 HB2 GLU 9 HB2 GLU 9 -2.890 -2.447 -0.205 70 HB3 GLU 9 HB1 GLU 9 -1.700 -1.296 0.388 71 HG2 GLU 9 HG2 GLU 9 -3.746 -0.956 1.614 72 HG3 GLU 9 HG1 GLU 9 -3.528 0.422 0.538 73 H VAL 10 HN VAL 10 -0.104 0.131 -1.221 74 HA VAL 10 HA VAL 10 -0.932 2.841 -0.723 75 HB VAL 10 HB VAL 10 1.037 1.792 0.386 76 HG11 VAL 10 HG11 VAL 10 3.090 1.463 -0.851 77 HG12 VAL 10 HG12 VAL 10 2.358 2.099 -2.324 78 HG13 VAL 10 HG13 VAL 10 1.808 0.563 -1.656 79 HG21 VAL 10 HG21 VAL 10 0.787 4.268 0.159 80 HG22 VAL 10 HG22 VAL 10 1.725 4.195 -1.334 81 HG23 VAL 10 HG23 VAL 10 2.475 3.757 0.201 82 H ALA 11 HN ALA 11 0.350 1.022 -3.431 83 HA ALA 11 HA ALA 11 1.119 3.179 -5.073 84 HB1 ALA 11 HB1 ALA 11 0.884 1.608 -6.957 85 HB2 ALA 11 HB2 ALA 11 0.032 0.474 -5.912 86 HB3 ALA 11 HB3 ALA 11 1.728 0.856 -5.605 87 H LEU 12 HN LEU 12 -2.008 1.502 -4.742 88 HA LEU 12 HA LEU 12 -3.293 3.097 -6.742 89 HB2 LEU 12 HB2 LEU 12 -4.136 1.019 -4.776 90 HB3 LEU 12 HB1 LEU 12 -5.393 2.144 -5.288 91 HG LEU 12 HG LEU 12 -4.875 1.621 -7.650 92 HD11 LEU 12 HD11 LEU 12 -2.546 1.012 -7.514 93 HD12 LEU 12 HD12 LEU 12 -3.429 -0.409 -8.071 94 HD13 LEU 12 HD13 LEU 12 -2.904 -0.300 -6.392 95 HD21 LEU 12 HD21 LEU 12 -5.294 -0.954 -6.117 96 HD22 LEU 12 HD22 LEU 12 -5.979 -0.496 -7.676 97 HD23 LEU 12 HD23 LEU 12 -6.534 0.297 -6.204 98 H GLU 13 HN GLU 13 -3.038 3.285 -3.204 99 HA GLU 13 HA GLU 13 -4.898 5.395 -2.870 100 HB2 GLU 13 HB2 GLU 13 -2.525 4.507 -1.225 101 HB3 GLU 13 HB1 GLU 13 -3.597 5.816 -0.727 102 HG2 GLU 13 HG2 GLU 13 -5.497 4.352 -0.655 103 HG3 GLU 13 HG1 GLU 13 -4.613 3.052 -1.446 104 H ARG 14 HN ARG 14 -1.405 5.388 -3.488 105 HA ARG 14 HA ARG 14 -1.015 8.177 -3.246 106 HB2 ARG 14 HB2 ARG 14 0.836 6.552 -3.232 107 HB3 ARG 14 HB1 ARG 14 0.524 6.189 -4.930 108 HG2 ARG 14 HG2 ARG 14 1.059 8.448 -5.587 109 HG3 ARG 14 HG1 ARG 14 1.152 8.967 -3.904 110 HD2 ARG 14 HD2 ARG 14 3.071 7.490 -3.530 111 HD3 ARG 14 HD1 ARG 14 2.966 6.908 -5.190 112 HE ARG 14 HE ARG 14 3.206 9.661 -5.378 113 HH11 ARG 14 HH11 ARG 14 5.233 10.648 -5.653 114 HH12 ARG 14 HH12 ARG 14 6.668 9.821 -5.147 115 HH21 ARG 14 HH21 ARG 14 4.970 7.020 -4.008 116 HH22 ARG 14 HH22 ARG 14 6.520 7.766 -4.215 117 H LEU 15 HN LEU 15 -1.816 6.121 -6.023 118 HA LEU 15 HA LEU 15 -1.683 8.129 -7.993 119 HB2 LEU 15 HB2 LEU 15 -1.731 5.750 -8.573 120 HB3 LEU 15 HB1 LEU 15 -3.366 5.600 -7.945 121 HG LEU 15 HG LEU 15 -4.148 7.251 -9.636 122 HD11 LEU 15 HD11 LEU 15 -2.390 7.566 -11.574 123 HD12 LEU 15 HD12 LEU 15 -1.210 7.275 -10.296 124 HD13 LEU 15 HD13 LEU 15 -2.335 8.626 -10.168 125 HD21 LEU 15 HD21 LEU 15 -4.248 4.846 -10.131 126 HD22 LEU 15 HD22 LEU 15 -2.596 4.892 -10.749 127 HD23 LEU 15 HD23 LEU 15 -3.880 5.757 -11.596 128 H LYS 16 HN LYS 16 -4.291 7.099 -5.846 129 HA LYS 16 HA LYS 16 -6.355 8.631 -7.055 130 HB2 LYS 16 HB2 LYS 16 -6.787 6.773 -5.485 131 HB3 LYS 16 HB1 LYS 16 -6.148 7.731 -4.155 132 HG2 LYS 16 HG2 LYS 16 -7.879 9.469 -4.632 133 HG3 LYS 16 HG1 LYS 16 -8.554 8.415 -5.872 134 HD2 LYS 16 HD2 LYS 16 -8.202 7.506 -3.008 135 HD3 LYS 16 HD1 LYS 16 -9.665 8.320 -3.559 136 HE2 LYS 16 HE2 LYS 16 -9.894 6.552 -5.339 137 HE3 LYS 16 HE1 LYS 16 -8.545 5.696 -4.595 138 HZ1 LYS 16 HZ1 LYS 16 -9.816 4.969 -2.945 139 HZ2 LYS 16 HZ2 LYS 16 -11.144 5.415 -3.907 140 HZ3 LYS 16 HZ3 LYS 16 -10.560 6.475 -2.714 141 H ASN 17 HN ASN 17 -3.983 9.388 -4.521 142 HA ASN 17 HA ASN 17 -5.050 11.893 -3.775 143 HB2 ASN 17 HB2 ASN 17 -3.315 10.653 -2.495 144 HB3 ASN 17 HB1 ASN 17 -2.154 11.013 -3.770 145 HD21 ASN 17 HD21 ASN 17 -2.310 11.950 -0.853 146 HD22 ASN 17 HD22 ASN 17 -2.217 13.641 -0.957 147 H GLU 18 HN GLU 18 -2.698 10.933 -6.245 148 HA GLU 18 HA GLU 18 -2.051 13.571 -7.092 149 HB2 GLU 18 HB2 GLU 18 -0.677 11.562 -7.655 150 HB3 GLU 18 HB1 GLU 18 -1.945 11.044 -8.765 151 HG2 GLU 18 HG2 GLU 18 -0.720 13.799 -8.978 152 HG3 GLU 18 HG1 GLU 18 0.044 12.404 -9.731 153 H ARG 19 HN ARG 19 -4.485 11.244 -8.139 154 HA ARG 19 HA ARG 19 -5.437 12.643 -10.388 155 HB2 ARG 19 HB2 ARG 19 -6.055 10.298 -9.901 156 HB3 ARG 19 HB1 ARG 19 -7.007 10.843 -8.518 157 HG2 ARG 19 HG2 ARG 19 -8.458 12.148 -9.995 158 HG3 ARG 19 HG1 ARG 19 -7.477 11.698 -11.390 159 HD2 ARG 19 HD2 ARG 19 -8.914 9.716 -9.606 160 HD3 ARG 19 HD1 ARG 19 -9.548 10.307 -11.140 161 HE ARG 19 HE ARG 19 -7.391 8.397 -10.776 162 HH11 ARG 19 HH11 ARG 19 -6.579 7.487 -12.696 163 HH12 ARG 19 HH12 ARG 19 -6.991 8.193 -14.223 164 HH21 ARG 19 HH21 ARG 19 -8.945 10.701 -12.838 165 HH22 ARG 19 HH22 ARG 19 -8.331 10.012 -14.304 166 H HIS 20 HN HIS 20 -6.352 12.834 -6.964 167 HA HIS 20 HA HIS 20 -8.517 14.610 -7.292 168 HB2 HIS 20 HB2 HIS 20 -6.670 14.067 -4.972 169 HB3 HIS 20 HB1 HIS 20 -8.007 15.211 -4.864 170 HD2 HIS 20 HD2 HIS 20 -9.090 12.301 -7.055 171 HE1 HIS 20 HE1 HIS 20 -10.365 11.314 -3.153 172 HE2 HIS 20 HE2 HIS 20 -10.567 10.705 -5.611 173 H VAL 21 HN VAL 21 -5.055 15.192 -6.779 174 HA VAL 21 HA VAL 21 -5.245 18.001 -6.560 175 HB VAL 21 HB VAL 21 -2.972 16.126 -7.226 176 HG11 VAL 21 HG11 VAL 21 -1.571 18.209 -6.729 177 HG12 VAL 21 HG12 VAL 21 -3.052 19.131 -6.980 178 HG13 VAL 21 HG13 VAL 21 -2.383 18.164 -8.291 179 HG21 VAL 21 HG21 VAL 21 -3.508 17.872 -4.801 180 HG22 VAL 21 HG22 VAL 21 -2.262 16.637 -4.961 181 HG23 VAL 21 HG23 VAL 21 -3.959 16.171 -4.888 182 H HIS 22 HN HIS 22 -4.756 15.783 -9.259 183 HA HIS 22 HA HIS 22 -4.090 17.653 -11.223 184 HB2 HIS 22 HB2 HIS 22 -3.852 15.246 -11.581 185 HB3 HIS 22 HB1 HIS 22 -5.599 15.039 -11.550 186 HD2 HIS 22 HD2 HIS 22 -2.818 16.290 -13.993 187 HE1 HIS 22 HE1 HIS 22 -6.521 16.566 -16.004 188 HE2 HIS 22 HE2 HIS 22 -4.001 16.736 -16.277 189 H ASP 23 HN ASP 23 -7.321 16.578 -10.105 190 HA ASP 23 HA ASP 23 -8.701 18.133 -12.079 191 HB2 ASP 23 HB2 ASP 23 -10.703 17.546 -10.953 192 HB3 ASP 23 HB1 ASP 23 -9.656 16.142 -10.786 193 H GLU 24 HN GLU 24 -7.499 18.694 -8.839 194 HA GLU 24 HA GLU 24 -8.904 21.153 -8.428 195 HB2 GLU 24 HB2 GLU 24 -6.533 19.892 -7.040 196 HB3 GLU 24 HB1 GLU 24 -7.003 21.550 -6.684 197 HG2 GLU 24 HG2 GLU 24 -8.998 19.272 -6.581 198 HG3 GLU 24 HG1 GLU 24 -8.020 19.732 -5.190 199 H GLU 25 HN GLU 25 -5.693 20.355 -9.733 200 HA GLU 25 HA GLU 25 -4.778 23.031 -9.978 201 HB2 GLU 25 HB2 GLU 25 -3.275 21.083 -10.102 202 HB3 GLU 25 HB1 GLU 25 -4.005 20.595 -11.625 203 HG2 GLU 25 HG2 GLU 25 -3.301 22.750 -12.637 204 HG3 GLU 25 HG1 GLU 25 -2.539 23.198 -11.110 205 H VAL 26 HN VAL 26 -6.622 20.957 -12.251 206 HA VAL 26 HA VAL 26 -6.566 22.942 -14.323 207 HB VAL 26 HB VAL 26 -7.006 20.308 -14.468 208 HG11 VAL 26 HG11 VAL 26 -9.253 19.627 -14.581 209 HG12 VAL 26 HG12 VAL 26 -9.851 21.282 -14.696 210 HG13 VAL 26 HG13 VAL 26 -9.241 20.676 -13.164 211 HG21 VAL 26 HG21 VAL 26 -6.674 21.631 -16.438 212 HG22 VAL 26 HG22 VAL 26 -8.222 22.446 -16.230 213 HG23 VAL 26 HG23 VAL 26 -8.178 20.741 -16.678 214 H GLU 27 HN GLU 27 -8.714 22.158 -11.675 215 HA GLU 27 HA GLU 27 -11.001 23.569 -12.486 216 HB2 GLU 27 HB2 GLU 27 -10.930 22.018 -10.561 217 HB3 GLU 27 HB1 GLU 27 -9.938 23.177 -9.678 218 HG2 GLU 27 HG2 GLU 27 -11.729 24.835 -9.764 219 HG3 GLU 27 HG1 GLU 27 -12.714 23.753 -10.748 220 H LEU 28 HN LEU 28 -8.178 24.642 -10.603 221 HA LEU 28 HA LEU 28 -9.126 27.321 -10.304 222 HB2 LEU 28 HB2 LEU 28 -6.475 25.970 -9.849 223 HB3 LEU 28 HB1 LEU 28 -6.580 27.728 -9.795 224 HG LEU 28 HG LEU 28 -8.557 26.091 -8.199 225 HD11 LEU 28 HD11 LEU 28 -5.735 26.797 -7.327 226 HD12 LEU 28 HD12 LEU 28 -6.337 25.166 -7.625 227 HD13 LEU 28 HD13 LEU 28 -6.989 26.116 -6.291 228 HD21 LEU 28 HD21 LEU 28 -8.683 28.054 -6.857 229 HD22 LEU 28 HD22 LEU 28 -8.604 28.662 -8.509 230 HD23 LEU 28 HD23 LEU 28 -7.165 28.685 -7.492 231 H GLU 29 HN GLU 29 -7.021 25.695 -12.642 232 HA GLU 29 HA GLU 29 -6.142 28.022 -13.997 233 HB2 GLU 29 HB2 GLU 29 -5.082 25.806 -14.298 234 HB3 GLU 29 HB1 GLU 29 -6.540 25.228 -15.107 235 HG2 GLU 29 HG2 GLU 29 -6.256 26.900 -16.872 236 HG3 GLU 29 HG1 GLU 29 -4.846 27.560 -16.044 237 H ARG 30 HN ARG 30 -8.944 25.900 -14.499 238 HA ARG 30 HA ARG 30 -9.881 27.102 -16.858 239 HB2 ARG 30 HB2 ARG 30 -10.643 24.902 -15.861 240 HB3 ARG 30 HB1 ARG 30 -11.585 25.836 -14.705 241 HG2 ARG 30 HG2 ARG 30 -13.132 25.346 -16.422 242 HG3 ARG 30 HG1 ARG 30 -12.626 26.999 -16.767 243 HD2 ARG 30 HD2 ARG 30 -11.167 26.278 -18.531 244 HD3 ARG 30 HD1 ARG 30 -11.299 24.592 -18.045 245 HE ARG 30 HE ARG 30 -13.209 26.106 -19.623 246 HH11 ARG 30 HH11 ARG 30 -14.921 24.877 -20.472 247 HH12 ARG 30 HH12 ARG 30 -15.217 23.281 -19.868 248 HH21 ARG 30 HH21 ARG 30 -12.593 23.365 -17.606 249 HH22 ARG 30 HH22 ARG 30 -13.898 22.425 -18.246 250 H LEU 31 HN LEU 31 -10.611 27.780 -13.450 251 HA LEU 31 HA LEU 31 -12.560 29.766 -13.901 252 HB2 LEU 31 HB2 LEU 31 -12.232 28.712 -11.705 253 HB3 LEU 31 HB1 LEU 31 -10.639 29.451 -11.580 254 HG LEU 31 HG LEU 31 -11.676 31.702 -11.642 255 HD11 LEU 31 HD11 LEU 31 -14.174 30.057 -12.025 256 HD12 LEU 31 HD12 LEU 31 -13.665 31.522 -12.868 257 HD13 LEU 31 HD13 LEU 31 -14.272 31.623 -11.219 258 HD21 LEU 31 HD21 LEU 31 -11.303 30.789 -9.457 259 HD22 LEU 31 HD22 LEU 31 -12.712 29.737 -9.584 260 HD23 LEU 31 HD23 LEU 31 -12.925 31.481 -9.434 261 H LYS 32 HN LYS 32 -9.045 29.969 -13.438 262 HA LYS 32 HA LYS 32 -8.865 32.780 -13.553 263 HB2 LYS 32 HB2 LYS 32 -6.831 30.626 -14.208 264 HB3 LYS 32 HB1 LYS 32 -6.454 32.344 -14.192 265 HG2 LYS 32 HG2 LYS 32 -7.736 31.012 -11.808 266 HG3 LYS 32 HG1 LYS 32 -5.992 30.962 -12.042 267 HD2 LYS 32 HD2 LYS 32 -6.069 33.507 -12.238 268 HD3 LYS 32 HD1 LYS 32 -7.735 33.410 -11.668 269 HE2 LYS 32 HE2 LYS 32 -5.321 32.311 -10.201 270 HE3 LYS 32 HE1 LYS 32 -6.171 33.802 -9.794 271 HZ1 LYS 32 HZ1 LYS 32 -8.220 32.375 -9.612 272 HZ2 LYS 32 HZ2 LYS 32 -7.050 32.149 -8.401 273 HZ3 LYS 32 HZ3 LYS 32 -7.193 31.028 -9.667 274 H ASN 33 HN ASN 33 -8.855 30.297 -16.075 275 HA ASN 33 HA ASN 33 -8.095 31.953 -18.229 276 HB2 ASN 33 HB2 ASN 33 -8.181 29.472 -18.365 277 HB3 ASN 33 HB1 ASN 33 -9.944 29.553 -18.316 278 HD21 ASN 33 HD21 ASN 33 -7.301 29.472 -20.432 279 HD22 ASN 33 HD22 ASN 33 -8.079 30.058 -21.821 280 H GLU 34 HN GLU 34 -11.266 31.214 -16.829 281 HA GLU 34 HA GLU 34 -12.826 32.589 -18.738 282 HB2 GLU 34 HB2 GLU 34 -13.314 31.983 -15.812 283 HB3 GLU 34 HB1 GLU 34 -14.535 32.661 -16.891 284 HG2 GLU 34 HG2 GLU 34 -13.059 30.081 -17.460 285 HG3 GLU 34 HG1 GLU 34 -14.625 30.143 -16.653 286 H ARG 35 HN ARG 35 -11.311 33.638 -15.707 287 HA ARG 35 HA ARG 35 -12.392 36.267 -15.767 288 HB2 ARG 35 HB2 ARG 35 -9.974 35.144 -14.322 289 HB3 ARG 35 HB1 ARG 35 -10.572 36.791 -14.116 290 HG2 ARG 35 HG2 ARG 35 -12.719 35.981 -13.344 291 HG3 ARG 35 HG1 ARG 35 -12.266 34.315 -13.704 292 HD2 ARG 35 HD2 ARG 35 -11.993 34.708 -11.320 293 HD3 ARG 35 HD1 ARG 35 -10.405 34.506 -12.057 294 HE ARG 35 HE ARG 35 -11.062 37.253 -12.038 295 HH11 ARG 35 HH11 ARG 35 -10.092 38.576 -10.473 296 HH12 ARG 35 HH12 ARG 35 -9.445 37.871 -9.030 297 HH21 ARG 35 HH21 ARG 35 -10.313 34.630 -9.913 298 HH22 ARG 35 HH22 ARG 35 -9.570 35.633 -8.711 299 H HIS 36 HN HIS 36 -9.440 34.831 -17.094 300 HA HIS 36 HA HIS 36 -8.138 37.240 -17.773 301 HB2 HIS 36 HB2 HIS 36 -7.914 34.416 -18.833 302 HB3 HIS 36 HB1 HIS 36 -7.018 35.733 -19.581 303 HD2 HIS 36 HD2 HIS 36 -4.584 36.103 -18.383 304 HE1 HIS 36 HE1 HIS 36 -5.489 34.452 -14.606 305 HE2 HIS 36 HE2 HIS 36 -3.651 35.475 -16.027 306 H ASP 37 HN ASP 37 -10.515 35.291 -19.608 307 HA ASP 37 HA ASP 37 -10.308 37.029 -21.911 308 HB2 ASP 37 HB2 ASP 37 -12.167 35.696 -22.801 309 HB3 ASP 37 HB1 ASP 37 -10.883 34.662 -22.184 310 H HIS 38 HN HIS 38 -12.158 36.910 -18.995 311 HA HIS 38 HA HIS 38 -14.257 38.671 -19.947 312 HB2 HIS 38 HB2 HIS 38 -14.764 37.006 -18.215 313 HB3 HIS 38 HB1 HIS 38 -13.594 37.759 -17.131 314 HD2 HIS 38 HD2 HIS 38 -14.709 39.731 -15.561 315 HE1 HIS 38 HE1 HIS 38 -18.153 40.475 -17.886 316 HE2 HIS 38 HE2 HIS 38 -16.946 41.068 -15.732 317 H ASP 39 HN ASP 39 -11.148 38.995 -18.430 318 HA ASP 39 HA ASP 39 -11.654 41.810 -17.716 319 HB2 ASP 39 HB2 ASP 39 -10.442 40.211 -16.148 320 HB3 ASP 39 HB1 ASP 39 -9.095 40.257 -17.287 321 H TYR 40 HN TYR 40 -10.106 39.858 -20.129 322 HA TYR 40 HA TYR 40 -8.921 40.383 -22.022 323 HB2 TYR 40 HB2 TYR 40 -10.107 43.138 -21.620 324 HB3 TYR 40 HB1 TYR 40 -9.471 42.472 -23.124 325 HD1 TYR 40 HD1 TYR 40 -12.383 42.849 -21.080 326 HD2 TYR 40 HD2 TYR 40 -10.550 40.269 -23.986 327 HE1 TYR 40 HE1 TYR 40 -14.593 41.841 -21.580 328 HE2 TYR 40 HE2 TYR 40 -12.761 39.263 -24.486 329 HH TYR 40 HH TYR 40 -14.921 38.984 -23.482 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 -2.986 -11.984 8.389 2 H2 GLY 1 HT2 GLY 1 -4.150 -12.905 7.563 3 H3 GLY 1 HT3 GLY 1 -4.618 -11.523 8.433 4 HA2 GLY 1 HA2 GLY 1 -4.380 -11.397 5.869 5 HA3 GLY 1 HA1 GLY 1 -3.806 -10.067 6.877 6 H SER 2 HN SER 2 -2.816 -10.798 4.260 7 HA SER 2 HA SER 2 -0.025 -11.566 4.932 8 HB2 SER 2 HB2 SER 2 -1.557 -12.023 2.359 9 HB3 SER 2 HB1 SER 2 0.147 -12.397 2.607 10 HG SER 2 HG SER 2 -2.141 -13.648 3.588 11 H VAL 3 HN VAL 3 1.596 -10.282 4.193 12 HA VAL 3 HA VAL 3 1.022 -7.576 3.582 13 HB VAL 3 HB VAL 3 3.111 -8.391 4.698 14 HG11 VAL 3 HG11 VAL 3 3.380 -10.317 3.042 15 HG12 VAL 3 HG12 VAL 3 4.849 -9.418 3.418 16 HG13 VAL 3 HG13 VAL 3 3.999 -9.124 1.901 17 HG21 VAL 3 HG21 VAL 3 2.880 -6.141 3.558 18 HG22 VAL 3 HG22 VAL 3 3.653 -6.853 2.143 19 HG23 VAL 3 HG23 VAL 3 4.534 -6.738 3.666 20 H LYS 4 HN LYS 4 1.359 -10.401 1.651 21 HA LYS 4 HA LYS 4 2.142 -9.254 -0.807 22 HB2 LYS 4 HB2 LYS 4 0.488 -11.718 -0.207 23 HB3 LYS 4 HB1 LYS 4 1.071 -11.287 -1.815 24 HG2 LYS 4 HG2 LYS 4 3.397 -11.306 -0.977 25 HG3 LYS 4 HG1 LYS 4 2.808 -11.768 0.622 26 HD2 LYS 4 HD2 LYS 4 1.869 -13.838 -0.291 27 HD3 LYS 4 HD1 LYS 4 2.375 -13.372 -1.914 28 HE2 LYS 4 HE2 LYS 4 4.000 -14.936 -0.965 29 HE3 LYS 4 HE1 LYS 4 4.740 -13.345 -1.141 30 HZ1 LYS 4 HZ1 LYS 4 4.634 -12.949 1.116 31 HZ2 LYS 4 HZ2 LYS 4 5.014 -14.605 1.064 32 HZ3 LYS 4 HZ3 LYS 4 3.421 -14.104 1.381 33 H LYS 5 HN LYS 5 0.962 -8.530 -2.566 34 HA LYS 5 HA LYS 5 -0.728 -7.344 -3.614 35 HB2 LYS 5 HB2 LYS 5 -2.387 -9.355 -2.074 36 HB3 LYS 5 HB1 LYS 5 -3.025 -8.287 -3.326 37 HG2 LYS 5 HG2 LYS 5 -1.433 -9.239 -4.952 38 HG3 LYS 5 HG1 LYS 5 -0.800 -10.312 -3.702 39 HD2 LYS 5 HD2 LYS 5 -3.030 -11.338 -3.450 40 HD3 LYS 5 HD1 LYS 5 -3.663 -10.269 -4.702 41 HE2 LYS 5 HE2 LYS 5 -2.066 -11.224 -6.326 42 HE3 LYS 5 HE1 LYS 5 -1.438 -12.297 -5.075 43 HZ1 LYS 5 HZ1 LYS 5 -3.511 -13.395 -4.915 44 HZ2 LYS 5 HZ2 LYS 5 -3.149 -13.295 -6.573 45 HZ3 LYS 5 HZ3 LYS 5 -4.289 -12.240 -5.885 46 H LEU 6 HN LEU 6 0.149 -6.732 -0.707 47 HA LEU 6 HA LEU 6 -2.198 -5.103 0.059 48 HB2 LEU 6 HB2 LEU 6 -0.897 -6.837 1.650 49 HB3 LEU 6 HB1 LEU 6 0.120 -5.423 1.924 50 HG LEU 6 HG LEU 6 -1.649 -5.431 3.580 51 HD11 LEU 6 HD11 LEU 6 -2.431 -3.214 3.288 52 HD12 LEU 6 HD12 LEU 6 -2.499 -3.375 1.534 53 HD13 LEU 6 HD13 LEU 6 -0.939 -3.267 2.348 54 HD21 LEU 6 HD21 LEU 6 -3.826 -6.006 3.168 55 HD22 LEU 6 HD22 LEU 6 -3.209 -6.680 1.662 56 HD23 LEU 6 HD23 LEU 6 -3.902 -5.059 1.681 57 H ASN 7 HN ASN 7 1.354 -4.938 -0.049 58 HA ASN 7 HA ASN 7 1.550 -2.169 0.367 59 HB2 ASN 7 HB2 ASN 7 3.370 -4.129 -1.033 60 HB3 ASN 7 HB1 ASN 7 3.801 -2.440 -0.773 61 HD21 ASN 7 HD21 ASN 7 5.235 -4.657 0.440 62 HD22 ASN 7 HD22 ASN 7 5.019 -4.543 2.119 63 H ASP 8 HN ASP 8 1.109 -4.071 -2.568 64 HA ASP 8 HA ASP 8 1.565 -2.077 -4.478 65 HB2 ASP 8 HB2 ASP 8 0.125 -3.444 -5.959 66 HB3 ASP 8 HB1 ASP 8 1.309 -4.421 -5.093 67 H GLU 9 HN GLU 9 -1.259 -2.786 -2.518 68 HA GLU 9 HA GLU 9 -3.112 -1.149 -3.886 69 HB2 GLU 9 HB2 GLU 9 -3.031 -2.071 -0.998 70 HB3 GLU 9 HB1 GLU 9 -4.369 -1.163 -1.698 71 HG2 GLU 9 HG2 GLU 9 -4.752 -2.899 -3.349 72 HG3 GLU 9 HG1 GLU 9 -3.331 -3.784 -2.795 73 H VAL 10 HN VAL 10 -0.776 -0.464 -1.308 74 HA VAL 10 HA VAL 10 -1.674 2.141 -0.743 75 HB VAL 10 HB VAL 10 0.987 0.753 -0.279 76 HG11 VAL 10 HG11 VAL 10 1.296 2.687 1.340 77 HG12 VAL 10 HG12 VAL 10 0.008 3.502 0.454 78 HG13 VAL 10 HG13 VAL 10 1.500 3.053 -0.371 79 HG21 VAL 10 HG21 VAL 10 -0.867 -0.164 0.999 80 HG22 VAL 10 HG22 VAL 10 -1.381 1.454 1.481 81 HG23 VAL 10 HG23 VAL 10 0.146 0.800 2.074 82 H ALA 11 HN ALA 11 0.633 0.806 -3.061 83 HA ALA 11 HA ALA 11 1.855 3.222 -3.830 84 HB1 ALA 11 HB1 ALA 11 2.465 2.034 -5.903 85 HB2 ALA 11 HB2 ALA 11 1.333 0.745 -5.495 86 HB3 ALA 11 HB3 ALA 11 2.748 1.034 -4.480 87 H LEU 12 HN LEU 12 -1.015 1.565 -5.115 88 HA LEU 12 HA LEU 12 -1.528 3.561 -7.110 89 HB2 LEU 12 HB2 LEU 12 -3.071 1.247 -5.973 90 HB3 LEU 12 HB1 LEU 12 -3.912 2.437 -6.967 91 HG LEU 12 HG LEU 12 -2.989 0.464 -8.229 92 HD11 LEU 12 HD11 LEU 12 -3.236 3.027 -9.066 93 HD12 LEU 12 HD12 LEU 12 -2.626 1.747 -10.111 94 HD13 LEU 12 HD13 LEU 12 -1.497 2.829 -9.299 95 HD21 LEU 12 HD21 LEU 12 -0.278 1.738 -7.846 96 HD22 LEU 12 HD22 LEU 12 -0.656 0.136 -8.476 97 HD23 LEU 12 HD23 LEU 12 -0.850 0.475 -6.757 98 H GLU 13 HN GLU 13 -2.505 3.061 -3.789 99 HA GLU 13 HA GLU 13 -4.591 4.916 -3.644 100 HB2 GLU 13 HB2 GLU 13 -3.984 3.285 -1.865 101 HB3 GLU 13 HB1 GLU 13 -2.552 4.248 -1.510 102 HG2 GLU 13 HG2 GLU 13 -5.306 5.482 -1.492 103 HG3 GLU 13 HG1 GLU 13 -4.663 4.662 -0.071 104 H ARG 14 HN ARG 14 -1.096 5.320 -3.115 105 HA ARG 14 HA ARG 14 -1.171 8.075 -2.485 106 HB2 ARG 14 HB2 ARG 14 0.765 6.560 -2.056 107 HB3 ARG 14 HB1 ARG 14 1.082 6.531 -3.791 108 HG2 ARG 14 HG2 ARG 14 1.347 8.992 -3.778 109 HG3 ARG 14 HG1 ARG 14 1.060 9.006 -2.038 110 HD2 ARG 14 HD2 ARG 14 3.309 7.514 -3.415 111 HD3 ARG 14 HD1 ARG 14 3.481 9.057 -2.583 112 HE ARG 14 HE ARG 14 3.164 6.445 -1.347 113 HH11 ARG 14 HH11 ARG 14 3.377 6.426 0.914 114 HH12 ARG 14 HH12 ARG 14 3.350 7.919 1.794 115 HH21 ARG 14 HH21 ARG 14 2.942 9.884 -1.036 116 HH22 ARG 14 HH22 ARG 14 3.104 9.877 0.689 117 H LEU 15 HN LEU 15 -0.717 6.334 -5.534 118 HA LEU 15 HA LEU 15 -0.260 8.592 -7.170 119 HB2 LEU 15 HB2 LEU 15 -1.323 5.829 -7.803 120 HB3 LEU 15 HB1 LEU 15 -0.979 7.040 -9.037 121 HG LEU 15 HG LEU 15 1.044 6.109 -6.985 122 HD11 LEU 15 HD11 LEU 15 0.538 5.166 -9.819 123 HD12 LEU 15 HD12 LEU 15 0.475 4.201 -8.343 124 HD13 LEU 15 HD13 LEU 15 2.019 4.825 -8.924 125 HD21 LEU 15 HD21 LEU 15 1.896 8.126 -7.780 126 HD22 LEU 15 HD22 LEU 15 1.095 7.977 -9.344 127 HD23 LEU 15 HD23 LEU 15 2.542 7.029 -8.998 128 H LYS 16 HN LYS 16 -3.174 6.982 -6.088 129 HA LYS 16 HA LYS 16 -5.005 8.283 -7.813 130 HB2 LYS 16 HB2 LYS 16 -5.590 6.268 -6.508 131 HB3 LYS 16 HB1 LYS 16 -5.465 7.199 -5.017 132 HG2 LYS 16 HG2 LYS 16 -7.301 8.601 -5.629 133 HG3 LYS 16 HG1 LYS 16 -7.312 7.975 -7.279 134 HD2 LYS 16 HD2 LYS 16 -9.111 6.894 -6.088 135 HD3 LYS 16 HD1 LYS 16 -7.838 5.696 -6.316 136 HE2 LYS 16 HE2 LYS 16 -7.080 5.949 -4.046 137 HE3 LYS 16 HE1 LYS 16 -8.109 7.360 -3.798 138 HZ1 LYS 16 HZ1 LYS 16 -9.066 5.363 -2.837 139 HZ2 LYS 16 HZ2 LYS 16 -9.047 4.601 -4.356 140 HZ3 LYS 16 HZ3 LYS 16 -10.041 5.954 -4.093 141 H ASN 17 HN ASN 17 -3.657 9.133 -4.649 142 HA ASN 17 HA ASN 17 -5.277 11.394 -4.170 143 HB2 ASN 17 HB2 ASN 17 -2.528 10.598 -3.211 144 HB3 ASN 17 HB1 ASN 17 -3.343 12.059 -2.658 145 HD21 ASN 17 HD21 ASN 17 -2.722 9.930 -0.844 146 HD22 ASN 17 HD22 ASN 17 -4.180 9.230 -0.328 147 H GLU 18 HN GLU 18 -2.195 10.940 -5.827 148 HA GLU 18 HA GLU 18 -1.592 13.672 -6.237 149 HB2 GLU 18 HB2 GLU 18 -0.818 11.216 -7.832 150 HB3 GLU 18 HB1 GLU 18 -0.155 12.825 -8.114 151 HG2 GLU 18 HG2 GLU 18 -0.048 11.421 -5.433 152 HG3 GLU 18 HG1 GLU 18 1.260 11.372 -6.612 153 H ARG 19 HN ARG 19 -3.426 11.336 -8.139 154 HA ARG 19 HA ARG 19 -3.884 12.992 -10.385 155 HB2 ARG 19 HB2 ARG 19 -5.486 10.675 -9.272 156 HB3 ARG 19 HB1 ARG 19 -5.789 11.430 -10.835 157 HG2 ARG 19 HG2 ARG 19 -3.058 10.363 -10.125 158 HG3 ARG 19 HG1 ARG 19 -4.298 9.312 -10.804 159 HD2 ARG 19 HD2 ARG 19 -4.509 10.884 -12.737 160 HD3 ARG 19 HD1 ARG 19 -3.177 11.831 -12.086 161 HE ARG 19 HE ARG 19 -2.988 9.237 -13.381 162 HH11 ARG 19 HH11 ARG 19 -0.870 8.545 -13.788 163 HH12 ARG 19 HH12 ARG 19 0.463 9.355 -13.034 164 HH21 ARG 19 HH21 ARG 19 -1.535 11.632 -11.346 165 HH22 ARG 19 HH22 ARG 19 0.087 11.106 -11.650 166 H HIS 20 HN HIS 20 -5.627 12.555 -7.360 167 HA HIS 20 HA HIS 20 -7.939 14.003 -7.995 168 HB2 HIS 20 HB2 HIS 20 -7.685 12.643 -5.946 169 HB3 HIS 20 HB1 HIS 20 -6.525 13.816 -5.324 170 HD2 HIS 20 HD2 HIS 20 -10.396 13.500 -5.881 171 HE1 HIS 20 HE1 HIS 20 -9.654 17.162 -3.915 172 HE2 HIS 20 HE2 HIS 20 -11.467 15.562 -4.689 173 H VAL 21 HN VAL 21 -4.842 15.117 -6.592 174 HA VAL 21 HA VAL 21 -5.586 17.822 -6.335 175 HB VAL 21 HB VAL 21 -2.901 16.449 -6.583 176 HG11 VAL 21 HG11 VAL 21 -3.629 19.345 -6.191 177 HG12 VAL 21 HG12 VAL 21 -2.476 18.640 -7.324 178 HG13 VAL 21 HG13 VAL 21 -2.099 18.691 -5.603 179 HG21 VAL 21 HG21 VAL 21 -3.972 15.886 -4.509 180 HG22 VAL 21 HG22 VAL 21 -4.552 17.535 -4.281 181 HG23 VAL 21 HG23 VAL 21 -2.833 17.175 -4.125 182 H HIS 22 HN HIS 22 -3.944 16.019 -8.917 183 HA HIS 22 HA HIS 22 -3.390 18.224 -10.578 184 HB2 HIS 22 HB2 HIS 22 -3.828 15.296 -11.227 185 HB3 HIS 22 HB1 HIS 22 -3.331 16.491 -12.424 186 HD2 HIS 22 HD2 HIS 22 -1.527 17.579 -9.354 187 HE1 HIS 22 HE1 HIS 22 1.008 14.658 -11.042 188 HE2 HIS 22 HE2 HIS 22 0.863 16.536 -9.339 189 H ASP 23 HN ASP 23 -6.241 16.168 -10.251 190 HA ASP 23 HA ASP 23 -7.654 17.198 -12.482 191 HB2 ASP 23 HB2 ASP 23 -8.575 15.856 -9.932 192 HB3 ASP 23 HB1 ASP 23 -9.673 16.315 -11.232 193 H GLU 24 HN GLU 24 -7.457 18.105 -9.097 194 HA GLU 24 HA GLU 24 -9.474 20.083 -9.110 195 HB2 GLU 24 HB2 GLU 24 -8.485 19.104 -7.039 196 HB3 GLU 24 HB1 GLU 24 -7.006 20.015 -7.351 197 HG2 GLU 24 HG2 GLU 24 -9.685 21.404 -7.226 198 HG3 GLU 24 HG1 GLU 24 -8.775 21.056 -5.759 199 H GLU 25 HN GLU 25 -6.187 20.089 -10.197 200 HA GLU 25 HA GLU 25 -5.549 22.805 -10.144 201 HB2 GLU 25 HB2 GLU 25 -3.993 20.968 -10.820 202 HB3 GLU 25 HB1 GLU 25 -4.843 20.858 -12.360 203 HG2 GLU 25 HG2 GLU 25 -4.302 23.193 -12.856 204 HG3 GLU 25 HG1 GLU 25 -3.488 23.348 -11.300 205 H VAL 26 HN VAL 26 -7.654 21.068 -12.369 206 HA VAL 26 HA VAL 26 -7.842 22.988 -14.383 207 HB VAL 26 HB VAL 26 -9.822 21.838 -15.044 208 HG11 VAL 26 HG11 VAL 26 -8.348 19.497 -13.922 209 HG12 VAL 26 HG12 VAL 26 -7.412 20.624 -14.911 210 HG13 VAL 26 HG13 VAL 26 -8.836 19.832 -15.580 211 HG21 VAL 26 HG21 VAL 26 -10.471 19.868 -13.232 212 HG22 VAL 26 HG22 VAL 26 -11.302 21.417 -13.342 213 HG23 VAL 26 HG23 VAL 26 -10.031 21.192 -12.148 214 H GLU 27 HN GLU 27 -9.223 22.790 -11.198 215 HA GLU 27 HA GLU 27 -11.417 24.541 -11.536 216 HB2 GLU 27 HB2 GLU 27 -11.103 23.114 -9.542 217 HB3 GLU 27 HB1 GLU 27 -9.719 24.099 -9.067 218 HG2 GLU 27 HG2 GLU 27 -11.149 26.077 -8.882 219 HG3 GLU 27 HG1 GLU 27 -12.539 25.149 -9.442 220 H LEU 28 HN LEU 28 -8.050 25.135 -10.592 221 HA LEU 28 HA LEU 28 -8.342 27.944 -10.246 222 HB2 LEU 28 HB2 LEU 28 -5.980 26.097 -10.574 223 HB3 LEU 28 HB1 LEU 28 -5.750 27.846 -10.582 224 HG LEU 28 HG LEU 28 -6.924 27.976 -8.396 225 HD11 LEU 28 HD11 LEU 28 -8.351 26.076 -8.407 226 HD12 LEU 28 HD12 LEU 28 -7.131 25.711 -7.187 227 HD13 LEU 28 HD13 LEU 28 -7.021 24.980 -8.787 228 HD21 LEU 28 HD21 LEU 28 -5.101 26.903 -7.076 229 HD22 LEU 28 HD22 LEU 28 -4.482 27.822 -8.448 230 HD23 LEU 28 HD23 LEU 28 -4.573 26.063 -8.535 231 H GLU 29 HN GLU 29 -7.508 25.904 -12.965 232 HA GLU 29 HA GLU 29 -6.672 27.999 -14.706 233 HB2 GLU 29 HB2 GLU 29 -7.591 25.167 -15.188 234 HB3 GLU 29 HB1 GLU 29 -7.221 26.253 -16.523 235 HG2 GLU 29 HG2 GLU 29 -4.953 26.528 -15.791 236 HG3 GLU 29 HG1 GLU 29 -5.265 25.713 -14.263 237 H ARG 30 HN ARG 30 -9.779 26.427 -14.136 238 HA ARG 30 HA ARG 30 -11.186 27.656 -16.233 239 HB2 ARG 30 HB2 ARG 30 -11.950 25.711 -14.788 240 HB3 ARG 30 HB1 ARG 30 -12.353 26.904 -13.555 241 HG2 ARG 30 HG2 ARG 30 -14.382 26.610 -14.749 242 HG3 ARG 30 HG1 ARG 30 -13.707 28.106 -15.384 243 HD2 ARG 30 HD2 ARG 30 -12.984 25.545 -16.778 244 HD3 ARG 30 HD1 ARG 30 -14.600 26.199 -17.024 245 HE ARG 30 HE ARG 30 -12.097 27.364 -17.946 246 HH11 ARG 30 HH11 ARG 30 -12.346 29.141 -19.332 247 HH12 ARG 30 HH12 ARG 30 -13.891 29.909 -19.480 248 HH21 ARG 30 HH21 ARG 30 -15.451 27.777 -17.233 249 HH22 ARG 30 HH22 ARG 30 -15.653 29.134 -18.289 250 H LEU 31 HN LEU 31 -10.666 28.652 -12.865 251 HA LEU 31 HA LEU 31 -12.305 30.953 -12.945 252 HB2 LEU 31 HB2 LEU 31 -9.910 30.244 -11.244 253 HB3 LEU 31 HB1 LEU 31 -10.905 31.676 -10.975 254 HG LEU 31 HG LEU 31 -11.989 28.845 -11.058 255 HD11 LEU 31 HD11 LEU 31 -10.466 29.138 -9.148 256 HD12 LEU 31 HD12 LEU 31 -12.139 29.023 -8.601 257 HD13 LEU 31 HD13 LEU 31 -11.339 30.593 -8.667 258 HD21 LEU 31 HD21 LEU 31 -13.840 30.234 -9.684 259 HD22 LEU 31 HD22 LEU 31 -13.870 30.140 -11.442 260 HD23 LEU 31 HD23 LEU 31 -13.195 31.563 -10.649 261 H LYS 32 HN LYS 32 -8.864 30.462 -13.610 262 HA LYS 32 HA LYS 32 -8.218 33.186 -14.021 263 HB2 LYS 32 HB2 LYS 32 -6.510 31.445 -13.624 264 HB3 LYS 32 HB1 LYS 32 -6.871 30.729 -15.192 265 HG2 LYS 32 HG2 LYS 32 -6.227 32.824 -16.313 266 HG3 LYS 32 HG1 LYS 32 -5.890 33.563 -14.746 267 HD2 LYS 32 HD2 LYS 32 -4.158 31.875 -14.306 268 HD3 LYS 32 HD1 LYS 32 -4.507 31.104 -15.854 269 HE2 LYS 32 HE2 LYS 32 -2.558 32.558 -16.093 270 HE3 LYS 32 HE1 LYS 32 -3.906 33.226 -17.012 271 HZ1 LYS 32 HZ1 LYS 32 -2.468 34.406 -14.908 272 HZ2 LYS 32 HZ2 LYS 32 -4.084 34.220 -14.417 273 HZ3 LYS 32 HZ3 LYS 32 -3.718 35.075 -15.839 274 H ASN 33 HN ASN 33 -9.391 30.641 -16.176 275 HA ASN 33 HA ASN 33 -9.071 32.036 -18.608 276 HB2 ASN 33 HB2 ASN 33 -9.517 29.627 -18.540 277 HB3 ASN 33 HB1 ASN 33 -11.120 29.929 -17.869 278 HD21 ASN 33 HD21 ASN 33 -9.401 29.528 -20.792 279 HD22 ASN 33 HD22 ASN 33 -10.602 30.107 -21.843 280 H GLU 34 HN GLU 34 -11.765 31.897 -16.302 281 HA GLU 34 HA GLU 34 -13.611 33.388 -17.813 282 HB2 GLU 34 HB2 GLU 34 -14.207 32.138 -15.762 283 HB3 GLU 34 HB1 GLU 34 -13.300 33.307 -14.801 284 HG2 GLU 34 HG2 GLU 34 -14.773 35.117 -15.577 285 HG3 GLU 34 HG1 GLU 34 -15.661 33.975 -16.583 286 H ARG 35 HN ARG 35 -11.174 34.411 -15.441 287 HA ARG 35 HA ARG 35 -11.775 37.183 -15.578 288 HB2 ARG 35 HB2 ARG 35 -10.385 36.159 -13.762 289 HB3 ARG 35 HB1 ARG 35 -9.079 35.931 -14.925 290 HG2 ARG 35 HG2 ARG 35 -9.031 38.342 -15.358 291 HG3 ARG 35 HG1 ARG 35 -10.345 38.585 -14.206 292 HD2 ARG 35 HD2 ARG 35 -8.275 39.046 -13.048 293 HD3 ARG 35 HD1 ARG 35 -8.897 37.512 -12.447 294 HE ARG 35 HE ARG 35 -7.150 36.997 -14.605 295 HH11 ARG 35 HH11 ARG 35 -5.046 36.274 -14.142 296 HH12 ARG 35 HH12 ARG 35 -4.362 36.562 -12.576 297 HH21 ARG 35 HH21 ARG 35 -7.165 38.202 -11.361 298 HH22 ARG 35 HH22 ARG 35 -5.563 37.653 -11.002 299 H HIS 36 HN HIS 36 -9.633 35.075 -17.403 300 HA HIS 36 HA HIS 36 -8.269 37.024 -18.893 301 HB2 HIS 36 HB2 HIS 36 -7.516 34.687 -18.796 302 HB3 HIS 36 HB1 HIS 36 -8.955 34.163 -19.669 303 HD2 HIS 36 HD2 HIS 36 -8.666 34.241 -22.410 304 HE1 HIS 36 HE1 HIS 36 -5.221 36.675 -22.554 305 HE2 HIS 36 HE2 HIS 36 -6.841 35.302 -23.946 306 H ASP 37 HN ASP 37 -11.324 35.327 -19.483 307 HA ASP 37 HA ASP 37 -11.750 36.539 -22.048 308 HB2 ASP 37 HB2 ASP 37 -13.563 34.987 -20.184 309 HB3 ASP 37 HB1 ASP 37 -14.080 35.600 -21.751 310 H HIS 38 HN HIS 38 -12.375 37.365 -18.760 311 HA HIS 38 HA HIS 38 -14.457 39.272 -19.233 312 HB2 HIS 38 HB2 HIS 38 -14.027 38.162 -17.021 313 HB3 HIS 38 HB1 HIS 38 -12.569 39.144 -16.868 314 HD2 HIS 38 HD2 HIS 38 -16.431 39.534 -16.544 315 HE1 HIS 38 HE1 HIS 38 -14.695 43.310 -15.802 316 HE2 HIS 38 HE2 HIS 38 -16.856 41.976 -15.723 317 H ASP 39 HN ASP 39 -10.991 39.326 -19.398 318 HA ASP 39 HA ASP 39 -9.467 41.059 -19.673 319 HB2 ASP 39 HB2 ASP 39 -10.181 42.578 -21.585 320 HB3 ASP 39 HB1 ASP 39 -10.177 40.849 -21.926 321 H TYR 40 HN TYR 40 -11.018 41.532 -17.367 322 HA TYR 40 HA TYR 40 -12.440 43.812 -17.032 323 HB2 TYR 40 HB2 TYR 40 -11.408 44.040 -14.802 324 HB3 TYR 40 HB1 TYR 40 -11.799 42.358 -15.162 325 HD1 TYR 40 HD1 TYR 40 -9.112 44.801 -14.654 326 HD2 TYR 40 HD2 TYR 40 -10.011 40.747 -15.752 327 HE1 TYR 40 HE1 TYR 40 -6.734 44.182 -14.320 328 HE2 TYR 40 HE2 TYR 40 -7.627 40.137 -15.418 329 HH TYR 40 HH TYR 40 -5.167 42.525 -14.893 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 4.422 -7.211 7.993 2 H2 GLY 1 HT2 GLY 1 3.642 -7.979 6.693 3 H3 GLY 1 HT3 GLY 1 3.225 -8.375 8.291 4 HA2 GLY 1 HA2 GLY 1 1.591 -6.901 8.142 5 HA3 GLY 1 HA1 GLY 1 2.854 -5.670 8.172 6 H SER 2 HN SER 2 4.054 -6.455 5.660 7 HA SER 2 HA SER 2 2.555 -4.853 3.881 8 HB2 SER 2 HB2 SER 2 4.168 -5.559 2.190 9 HB3 SER 2 HB1 SER 2 5.000 -5.205 3.702 10 HG SER 2 HG SER 2 4.079 -7.808 3.191 11 H VAL 3 HN VAL 3 2.455 -8.237 4.625 12 HA VAL 3 HA VAL 3 1.162 -9.103 2.222 13 HB VAL 3 HB VAL 3 0.684 -11.157 3.501 14 HG11 VAL 3 HG11 VAL 3 2.944 -10.713 2.493 15 HG12 VAL 3 HG12 VAL 3 2.990 -11.799 3.883 16 HG13 VAL 3 HG13 VAL 3 3.473 -10.113 4.065 17 HG21 VAL 3 HG21 VAL 3 1.649 -9.436 5.795 18 HG22 VAL 3 HG22 VAL 3 1.669 -11.199 5.877 19 HG23 VAL 3 HG23 VAL 3 0.141 -10.341 5.674 20 H LYS 4 HN LYS 4 0.118 -7.434 5.031 21 HA LYS 4 HA LYS 4 -2.603 -8.299 5.065 22 HB2 LYS 4 HB2 LYS 4 -1.341 -5.752 6.102 23 HB3 LYS 4 HB1 LYS 4 -2.971 -6.310 6.467 24 HG2 LYS 4 HG2 LYS 4 -2.100 -8.327 7.525 25 HG3 LYS 4 HG1 LYS 4 -0.455 -7.901 7.056 26 HD2 LYS 4 HD2 LYS 4 -0.544 -7.169 9.288 27 HD3 LYS 4 HD1 LYS 4 -0.902 -5.692 8.396 28 HE2 LYS 4 HE2 LYS 4 -2.496 -5.954 10.235 29 HE3 LYS 4 HE1 LYS 4 -3.340 -6.134 8.700 30 HZ1 LYS 4 HZ1 LYS 4 -3.260 -8.501 8.914 31 HZ2 LYS 4 HZ2 LYS 4 -3.913 -7.858 10.346 32 HZ3 LYS 4 HZ3 LYS 4 -2.302 -8.399 10.310 33 H LYS 5 HN LYS 5 -4.395 -7.448 4.092 34 HA LYS 5 HA LYS 5 -4.105 -6.148 1.606 35 HB2 LYS 5 HB2 LYS 5 -6.535 -6.033 1.587 36 HB3 LYS 5 HB1 LYS 5 -6.031 -7.595 2.234 37 HG2 LYS 5 HG2 LYS 5 -6.306 -6.692 4.544 38 HG3 LYS 5 HG1 LYS 5 -6.908 -5.185 3.856 39 HD2 LYS 5 HD2 LYS 5 -8.752 -6.389 2.772 40 HD3 LYS 5 HD1 LYS 5 -8.156 -7.911 3.437 41 HE2 LYS 5 HE2 LYS 5 -8.475 -7.055 5.720 42 HE3 LYS 5 HE1 LYS 5 -9.049 -5.518 5.074 43 HZ1 LYS 5 HZ1 LYS 5 -10.965 -6.751 5.542 44 HZ2 LYS 5 HZ2 LYS 5 -10.327 -8.179 4.881 45 HZ3 LYS 5 HZ3 LYS 5 -10.772 -6.894 3.863 46 H LEU 6 HN LEU 6 -4.316 -4.941 4.820 47 HA LEU 6 HA LEU 6 -5.408 -2.391 4.371 48 HB2 LEU 6 HB2 LEU 6 -3.345 -3.299 6.400 49 HB3 LEU 6 HB1 LEU 6 -4.187 -1.752 6.454 50 HG LEU 6 HG LEU 6 -5.577 -4.447 6.445 51 HD11 LEU 6 HD11 LEU 6 -4.174 -3.911 8.507 52 HD12 LEU 6 HD12 LEU 6 -5.889 -4.202 8.800 53 HD13 LEU 6 HD13 LEU 6 -5.267 -2.553 8.781 54 HD21 LEU 6 HD21 LEU 6 -7.208 -2.976 5.684 55 HD22 LEU 6 HD22 LEU 6 -6.504 -1.583 6.502 56 HD23 LEU 6 HD23 LEU 6 -7.425 -2.775 7.420 57 H ASN 7 HN ASN 7 -2.108 -3.599 4.078 58 HA ASN 7 HA ASN 7 -0.834 -1.113 3.663 59 HB2 ASN 7 HB2 ASN 7 0.363 -3.226 4.161 60 HB3 ASN 7 HB1 ASN 7 -0.057 -3.819 2.553 61 HD21 ASN 7 HD21 ASN 7 2.208 -1.897 4.325 62 HD22 ASN 7 HD22 ASN 7 3.068 -1.299 2.990 63 H ASP 8 HN ASP 8 -2.402 -3.369 1.442 64 HA ASP 8 HA ASP 8 -1.659 -1.906 -0.916 65 HB2 ASP 8 HB2 ASP 8 -3.686 -4.088 -0.414 66 HB3 ASP 8 HB1 ASP 8 -3.379 -3.392 -2.005 67 H GLU 9 HN GLU 9 -4.507 -2.079 1.149 68 HA GLU 9 HA GLU 9 -6.240 -0.547 -0.458 69 HB2 GLU 9 HB2 GLU 9 -6.181 -1.036 2.532 70 HB3 GLU 9 HB1 GLU 9 -7.447 -0.104 1.736 71 HG2 GLU 9 HG2 GLU 9 -8.089 -1.987 0.389 72 HG3 GLU 9 HG1 GLU 9 -6.691 -2.915 0.920 73 H VAL 10 HN VAL 10 -3.935 0.417 2.057 74 HA VAL 10 HA VAL 10 -4.682 3.176 1.975 75 HB VAL 10 HB VAL 10 -3.667 2.111 3.968 76 HG11 VAL 10 HG11 VAL 10 -2.102 0.675 2.656 77 HG12 VAL 10 HG12 VAL 10 -1.319 1.524 3.979 78 HG13 VAL 10 HG13 VAL 10 -1.122 2.096 2.320 79 HG21 VAL 10 HG21 VAL 10 -1.942 4.299 2.770 80 HG22 VAL 10 HG22 VAL 10 -2.140 3.942 4.485 81 HG23 VAL 10 HG23 VAL 10 -3.499 4.569 3.553 82 H ALA 11 HN ALA 11 -2.264 1.171 0.416 83 HA ALA 11 HA ALA 11 -0.615 3.205 -0.622 84 HB1 ALA 11 HB1 ALA 11 -1.256 0.543 -1.922 85 HB2 ALA 11 HB2 ALA 11 -0.061 0.764 -0.641 86 HB3 ALA 11 HB3 ALA 11 0.169 1.539 -2.207 87 H LEU 12 HN LEU 12 -3.473 1.605 -2.011 88 HA LEU 12 HA LEU 12 -3.438 3.140 -4.423 89 HB2 LEU 12 HB2 LEU 12 -5.317 1.208 -3.116 90 HB3 LEU 12 HB1 LEU 12 -5.993 2.276 -4.345 91 HG LEU 12 HG LEU 12 -4.252 1.540 -5.927 92 HD11 LEU 12 HD11 LEU 12 -3.449 -0.286 -3.651 93 HD12 LEU 12 HD12 LEU 12 -2.470 0.998 -4.355 94 HD13 LEU 12 HD13 LEU 12 -2.858 -0.439 -5.301 95 HD21 LEU 12 HD21 LEU 12 -5.574 -0.884 -4.696 96 HD22 LEU 12 HD22 LEU 12 -5.219 -0.588 -6.398 97 HD23 LEU 12 HD23 LEU 12 -6.487 0.333 -5.590 98 H GLU 13 HN GLU 13 -4.945 3.521 -1.274 99 HA GLU 13 HA GLU 13 -6.773 5.549 -1.938 100 HB2 GLU 13 HB2 GLU 13 -6.789 4.307 0.209 101 HB3 GLU 13 HB1 GLU 13 -5.303 5.137 0.677 102 HG2 GLU 13 HG2 GLU 13 -6.428 7.303 0.552 103 HG3 GLU 13 HG1 GLU 13 -7.906 6.526 -0.015 104 H ARG 14 HN ARG 14 -3.388 5.696 -0.856 105 HA ARG 14 HA ARG 14 -3.204 8.516 -0.722 106 HB2 ARG 14 HB2 ARG 14 -1.127 6.365 -1.160 107 HB3 ARG 14 HB1 ARG 14 -0.722 8.072 -0.978 108 HG2 ARG 14 HG2 ARG 14 -1.789 8.125 1.221 109 HG3 ARG 14 HG1 ARG 14 -2.291 6.443 1.042 110 HD2 ARG 14 HD2 ARG 14 0.069 5.747 0.918 111 HD3 ARG 14 HD1 ARG 14 0.578 7.425 1.076 112 HE ARG 14 HE ARG 14 -1.086 6.791 3.258 113 HH11 ARG 14 HH11 ARG 14 -0.135 6.304 5.263 114 HH12 ARG 14 HH12 ARG 14 1.520 5.798 5.329 115 HH21 ARG 14 HH21 ARG 14 1.995 5.996 1.900 116 HH22 ARG 14 HH22 ARG 14 2.726 5.624 3.426 117 H LEU 15 HN LEU 15 -2.563 6.201 -3.331 118 HA LEU 15 HA LEU 15 -1.567 8.091 -5.178 119 HB2 LEU 15 HB2 LEU 15 -1.249 5.667 -5.466 120 HB3 LEU 15 HB1 LEU 15 -2.976 5.449 -5.718 121 HG LEU 15 HG LEU 15 -2.857 6.951 -7.704 122 HD11 LEU 15 HD11 LEU 15 0.007 7.135 -6.795 123 HD12 LEU 15 HD12 LEU 15 -1.056 8.397 -7.418 124 HD13 LEU 15 HD13 LEU 15 -0.344 7.226 -8.523 125 HD21 LEU 15 HD21 LEU 15 -0.820 4.718 -7.844 126 HD22 LEU 15 HD22 LEU 15 -1.802 5.354 -9.162 127 HD23 LEU 15 HD23 LEU 15 -2.566 4.454 -7.852 128 H LYS 16 HN LYS 16 -4.819 6.925 -4.489 129 HA LYS 16 HA LYS 16 -6.123 8.182 -6.672 130 HB2 LYS 16 HB2 LYS 16 -7.136 6.349 -5.320 131 HB3 LYS 16 HB1 LYS 16 -7.298 7.461 -3.963 132 HG2 LYS 16 HG2 LYS 16 -8.725 8.930 -5.292 133 HG3 LYS 16 HG1 LYS 16 -8.523 7.880 -6.697 134 HD2 LYS 16 HD2 LYS 16 -9.586 6.026 -5.504 135 HD3 LYS 16 HD1 LYS 16 -9.734 7.019 -4.054 136 HE2 LYS 16 HE2 LYS 16 -11.860 6.989 -5.286 137 HE3 LYS 16 HE1 LYS 16 -11.162 8.607 -5.302 138 HZ1 LYS 16 HZ1 LYS 16 -10.793 8.524 -7.498 139 HZ2 LYS 16 HZ2 LYS 16 -11.989 7.317 -7.486 140 HZ3 LYS 16 HZ3 LYS 16 -10.345 6.889 -7.482 141 H ASN 17 HN ASN 17 -5.343 9.247 -3.384 142 HA ASN 17 HA ASN 17 -6.838 11.636 -3.412 143 HB2 ASN 17 HB2 ASN 17 -4.368 10.788 -1.897 144 HB3 ASN 17 HB1 ASN 17 -5.166 12.338 -1.632 145 HD21 ASN 17 HD21 ASN 17 -5.021 10.318 0.421 146 HD22 ASN 17 HD22 ASN 17 -6.598 9.771 0.724 147 H GLU 18 HN GLU 18 -3.563 10.843 -4.462 148 HA GLU 18 HA GLU 18 -2.686 13.488 -4.974 149 HB2 GLU 18 HB2 GLU 18 -1.860 10.851 -6.218 150 HB3 GLU 18 HB1 GLU 18 -1.027 12.379 -6.497 151 HG2 GLU 18 HG2 GLU 18 -1.500 11.225 -3.740 152 HG3 GLU 18 HG1 GLU 18 -0.020 10.965 -4.660 153 H ARG 19 HN ARG 19 -4.389 11.123 -6.955 154 HA ARG 19 HA ARG 19 -4.300 12.515 -9.410 155 HB2 ARG 19 HB2 ARG 19 -5.014 10.132 -9.161 156 HB3 ARG 19 HB1 ARG 19 -6.517 10.700 -8.427 157 HG2 ARG 19 HG2 ARG 19 -7.164 11.839 -10.433 158 HG3 ARG 19 HG1 ARG 19 -5.579 11.583 -11.164 159 HD2 ARG 19 HD2 ARG 19 -7.521 9.384 -10.398 160 HD3 ARG 19 HD1 ARG 19 -7.262 9.981 -12.035 161 HE ARG 19 HE ARG 19 -5.512 8.223 -10.543 162 HH11 ARG 19 HH11 ARG 19 -3.684 7.484 -11.671 163 HH12 ARG 19 HH12 ARG 19 -3.207 8.263 -13.143 164 HH21 ARG 19 HH21 ARG 19 -5.798 10.566 -13.074 165 HH22 ARG 19 HH22 ARG 19 -4.404 10.008 -13.937 166 H HIS 20 HN HIS 20 -6.633 12.612 -6.743 167 HA HIS 20 HA HIS 20 -8.489 14.359 -7.961 168 HB2 HIS 20 HB2 HIS 20 -7.839 13.775 -5.070 169 HB3 HIS 20 HB1 HIS 20 -9.134 14.872 -5.550 170 HD2 HIS 20 HD2 HIS 20 -9.010 12.030 -8.062 171 HE1 HIS 20 HE1 HIS 20 -11.811 10.829 -5.141 172 HE2 HIS 20 HE2 HIS 20 -10.887 10.320 -7.454 173 H VAL 21 HN VAL 21 -5.572 14.970 -6.029 174 HA VAL 21 HA VAL 21 -5.904 17.727 -5.681 175 HB VAL 21 HB VAL 21 -3.454 15.959 -5.799 176 HG11 VAL 21 HG11 VAL 21 -3.731 18.927 -5.351 177 HG12 VAL 21 HG12 VAL 21 -2.618 18.074 -6.414 178 HG13 VAL 21 HG13 VAL 21 -2.381 18.018 -4.670 179 HG21 VAL 21 HG21 VAL 21 -5.005 15.662 -3.872 180 HG22 VAL 21 HG22 VAL 21 -4.880 17.385 -3.526 181 HG23 VAL 21 HG23 VAL 21 -3.464 16.350 -3.363 182 H HIS 22 HN HIS 22 -4.274 15.856 -8.221 183 HA HIS 22 HA HIS 22 -3.282 18.028 -9.697 184 HB2 HIS 22 HB2 HIS 22 -2.529 15.736 -10.097 185 HB3 HIS 22 HB1 HIS 22 -4.127 15.283 -10.678 186 HD2 HIS 22 HD2 HIS 22 -2.744 18.732 -11.877 187 HE1 HIS 22 HE1 HIS 22 -2.491 16.041 -15.121 188 HE2 HIS 22 HE2 HIS 22 -2.256 18.474 -14.430 189 H ASP 23 HN ASP 23 -6.399 16.371 -9.769 190 HA ASP 23 HA ASP 23 -7.448 17.642 -12.063 191 HB2 ASP 23 HB2 ASP 23 -8.440 15.617 -11.013 192 HB3 ASP 23 HB1 ASP 23 -8.960 16.610 -9.650 193 H GLU 24 HN GLU 24 -7.508 18.481 -8.638 194 HA GLU 24 HA GLU 24 -9.228 20.712 -8.828 195 HB2 GLU 24 HB2 GLU 24 -8.667 19.668 -6.670 196 HB3 GLU 24 HB1 GLU 24 -7.004 20.226 -6.817 197 HG2 GLU 24 HG2 GLU 24 -7.727 22.545 -6.802 198 HG3 GLU 24 HG1 GLU 24 -9.420 22.047 -6.795 199 H GLU 25 HN GLU 25 -5.719 20.406 -9.139 200 HA GLU 25 HA GLU 25 -5.126 23.164 -9.276 201 HB2 GLU 25 HB2 GLU 25 -3.425 21.386 -8.955 202 HB3 GLU 25 HB1 GLU 25 -3.659 20.863 -10.619 203 HG2 GLU 25 HG2 GLU 25 -2.974 23.734 -9.978 204 HG3 GLU 25 HG1 GLU 25 -1.719 22.509 -10.131 205 H VAL 26 HN VAL 26 -6.101 20.842 -11.738 206 HA VAL 26 HA VAL 26 -5.690 22.577 -13.957 207 HB VAL 26 HB VAL 26 -7.283 20.025 -13.612 208 HG11 VAL 26 HG11 VAL 26 -8.436 21.154 -15.351 209 HG12 VAL 26 HG12 VAL 26 -7.284 20.117 -16.192 210 HG13 VAL 26 HG13 VAL 26 -6.952 21.840 -16.007 211 HG21 VAL 26 HG21 VAL 26 -4.828 20.567 -15.308 212 HG22 VAL 26 HG22 VAL 26 -5.466 19.010 -14.795 213 HG23 VAL 26 HG23 VAL 26 -4.682 20.065 -13.627 214 H GLU 27 HN GLU 27 -8.458 21.748 -11.929 215 HA GLU 27 HA GLU 27 -10.420 23.113 -13.412 216 HB2 GLU 27 HB2 GLU 27 -10.861 21.479 -11.560 217 HB3 GLU 27 HB1 GLU 27 -10.363 22.720 -10.410 218 HG2 GLU 27 HG2 GLU 27 -12.787 22.764 -10.600 219 HG3 GLU 27 HG1 GLU 27 -12.136 24.225 -11.340 220 H LEU 28 HN LEU 28 -8.322 24.182 -10.770 221 HA LEU 28 HA LEU 28 -9.426 26.790 -10.567 222 HB2 LEU 28 HB2 LEU 28 -7.012 25.368 -9.540 223 HB3 LEU 28 HB1 LEU 28 -6.881 27.126 -9.609 224 HG LEU 28 HG LEU 28 -7.777 26.249 -7.431 225 HD11 LEU 28 HD11 LEU 28 -10.093 27.766 -8.537 226 HD12 LEU 28 HD12 LEU 28 -8.523 28.518 -8.813 227 HD13 LEU 28 HD13 LEU 28 -9.045 28.143 -7.174 228 HD21 LEU 28 HD21 LEU 28 -9.743 25.018 -7.286 229 HD22 LEU 28 HD22 LEU 28 -9.186 24.447 -8.854 230 HD23 LEU 28 HD23 LEU 28 -10.417 25.702 -8.763 231 H GLU 29 HN GLU 29 -6.861 25.407 -12.512 232 HA GLU 29 HA GLU 29 -5.783 27.837 -13.453 233 HB2 GLU 29 HB2 GLU 29 -4.646 25.638 -13.693 234 HB3 GLU 29 HB1 GLU 29 -5.879 25.148 -14.856 235 HG2 GLU 29 HG2 GLU 29 -3.916 25.944 -16.052 236 HG3 GLU 29 HG1 GLU 29 -5.236 27.082 -16.297 237 H ARG 30 HN ARG 30 -8.262 25.676 -14.800 238 HA ARG 30 HA ARG 30 -8.769 27.156 -17.144 239 HB2 ARG 30 HB2 ARG 30 -9.514 24.804 -16.728 240 HB3 ARG 30 HB1 ARG 30 -10.743 25.434 -15.632 241 HG2 ARG 30 HG2 ARG 30 -11.696 26.783 -17.461 242 HG3 ARG 30 HG1 ARG 30 -10.462 26.169 -18.563 243 HD2 ARG 30 HD2 ARG 30 -12.437 24.846 -18.920 244 HD3 ARG 30 HD1 ARG 30 -11.291 23.839 -18.040 245 HE ARG 30 HE ARG 30 -12.982 25.201 -16.210 246 HH11 ARG 30 HH11 ARG 30 -14.646 24.014 -15.219 247 HH12 ARG 30 HH12 ARG 30 -15.172 22.520 -15.918 248 HH21 ARG 30 HH21 ARG 30 -12.939 22.666 -18.566 249 HH22 ARG 30 HH22 ARG 30 -14.206 21.757 -17.813 250 H LEU 31 HN LEU 31 -10.019 27.408 -13.880 251 HA LEU 31 HA LEU 31 -12.204 29.041 -14.285 252 HB2 LEU 31 HB2 LEU 31 -11.622 28.077 -12.089 253 HB3 LEU 31 HB1 LEU 31 -10.231 29.156 -11.986 254 HG LEU 31 HG LEU 31 -11.751 31.115 -12.077 255 HD11 LEU 31 HD11 LEU 31 -13.667 30.506 -13.249 256 HD12 LEU 31 HD12 LEU 31 -14.270 30.400 -11.598 257 HD13 LEU 31 HD13 LEU 31 -13.791 28.936 -12.459 258 HD21 LEU 31 HD21 LEU 31 -12.242 29.014 -9.963 259 HD22 LEU 31 HD22 LEU 31 -12.935 30.632 -9.858 260 HD23 LEU 31 HD23 LEU 31 -11.184 30.423 -9.875 261 H LYS 32 HN LYS 32 -8.783 29.838 -14.215 262 HA LYS 32 HA LYS 32 -8.807 32.580 -13.967 263 HB2 LYS 32 HB2 LYS 32 -6.797 31.085 -14.239 264 HB3 LYS 32 HB1 LYS 32 -7.137 31.077 -15.969 265 HG2 LYS 32 HG2 LYS 32 -6.837 33.463 -16.124 266 HG3 LYS 32 HG1 LYS 32 -6.756 33.622 -14.370 267 HD2 LYS 32 HD2 LYS 32 -4.496 33.719 -15.122 268 HD3 LYS 32 HD1 LYS 32 -4.704 32.093 -14.473 269 HE2 LYS 32 HE2 LYS 32 -5.014 31.186 -16.714 270 HE3 LYS 32 HE1 LYS 32 -4.974 32.807 -17.408 271 HZ1 LYS 32 HZ1 LYS 32 -2.798 31.217 -16.243 272 HZ2 LYS 32 HZ2 LYS 32 -2.697 32.913 -16.231 273 HZ3 LYS 32 HZ3 LYS 32 -2.836 32.078 -17.704 274 H ASN 33 HN ASN 33 -10.211 30.692 -16.417 275 HA ASN 33 HA ASN 33 -10.074 32.324 -18.684 276 HB2 ASN 33 HB2 ASN 33 -11.088 30.037 -18.625 277 HB3 ASN 33 HB1 ASN 33 -12.489 30.722 -17.801 278 HD21 ASN 33 HD21 ASN 33 -11.220 30.004 -20.864 279 HD22 ASN 33 HD22 ASN 33 -12.262 30.972 -21.789 280 H GLU 34 HN GLU 34 -12.113 32.584 -15.822 281 HA GLU 34 HA GLU 34 -13.992 34.444 -16.713 282 HB2 GLU 34 HB2 GLU 34 -14.311 35.014 -14.381 283 HB3 GLU 34 HB1 GLU 34 -14.041 33.275 -14.511 284 HG2 GLU 34 HG2 GLU 34 -11.589 33.730 -14.033 285 HG3 GLU 34 HG1 GLU 34 -12.049 35.387 -13.650 286 H ARG 35 HN ARG 35 -10.669 34.857 -15.696 287 HA ARG 35 HA ARG 35 -10.786 37.738 -15.618 288 HB2 ARG 35 HB2 ARG 35 -9.158 36.284 -14.296 289 HB3 ARG 35 HB1 ARG 35 -8.279 36.061 -15.806 290 HG2 ARG 35 HG2 ARG 35 -7.177 37.939 -15.010 291 HG3 ARG 35 HG1 ARG 35 -8.470 38.733 -15.909 292 HD2 ARG 35 HD2 ARG 35 -8.313 39.723 -13.687 293 HD3 ARG 35 HD1 ARG 35 -9.821 38.823 -13.807 294 HE ARG 35 HE ARG 35 -7.835 37.111 -12.772 295 HH11 ARG 35 HH11 ARG 35 -7.783 36.725 -10.533 296 HH12 ARG 35 HH12 ARG 35 -8.553 37.836 -9.451 297 HH21 ARG 35 HH21 ARG 35 -9.644 39.948 -11.976 298 HH22 ARG 35 HH22 ARG 35 -9.607 39.661 -10.268 299 H HIS 36 HN HIS 36 -9.917 35.275 -17.942 300 HA HIS 36 HA HIS 36 -8.566 36.894 -19.811 301 HB2 HIS 36 HB2 HIS 36 -8.495 34.462 -19.970 302 HB3 HIS 36 HB1 HIS 36 -10.223 34.390 -20.288 303 HD2 HIS 36 HD2 HIS 36 -10.847 34.541 -22.966 304 HE1 HIS 36 HE1 HIS 36 -7.169 36.098 -24.333 305 HE2 HIS 36 HE2 HIS 36 -9.442 35.227 -25.057 306 H ASP 37 HN ASP 37 -12.026 36.067 -19.537 307 HA ASP 37 HA ASP 37 -12.779 37.605 -21.826 308 HB2 ASP 37 HB2 ASP 37 -15.093 37.220 -20.959 309 HB3 ASP 37 HB1 ASP 37 -14.156 35.742 -21.160 310 H HIS 38 HN HIS 38 -12.602 38.151 -18.363 311 HA HIS 38 HA HIS 38 -13.988 40.660 -18.390 312 HB2 HIS 38 HB2 HIS 38 -13.697 39.210 -16.353 313 HB3 HIS 38 HB1 HIS 38 -11.997 39.687 -16.328 314 HD2 HIS 38 HD2 HIS 38 -15.471 41.139 -15.363 315 HE1 HIS 38 HE1 HIS 38 -12.608 44.175 -14.714 316 HE2 HIS 38 HE2 HIS 38 -15.030 43.504 -14.347 317 H ASP 39 HN ASP 39 -10.899 39.686 -19.394 318 HA ASP 39 HA ASP 39 -9.025 40.826 -20.088 319 HB2 ASP 39 HB2 ASP 39 -11.035 43.084 -20.259 320 HB3 ASP 39 HB1 ASP 39 -9.411 43.125 -20.941 321 H TYR 40 HN TYR 40 -9.401 40.580 -17.274 322 HA TYR 40 HA TYR 40 -8.499 41.363 -15.319 323 HB2 TYR 40 HB2 TYR 40 -7.045 43.431 -16.966 324 HB3 TYR 40 HB1 TYR 40 -6.553 42.712 -15.433 325 HD1 TYR 40 HD1 TYR 40 -6.408 42.437 -19.015 326 HD2 TYR 40 HD2 TYR 40 -6.095 40.183 -15.371 327 HE1 TYR 40 HE1 TYR 40 -5.220 40.634 -20.233 328 HE2 TYR 40 HE2 TYR 40 -4.907 38.379 -16.589 329 HH TYR 40 HH TYR 40 -3.468 38.725 -19.436 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 3.501 -10.838 3.717 2 H2 GLY 1 HT2 GLY 1 5.172 -10.981 3.985 3 H3 GLY 1 HT3 GLY 1 4.102 -12.111 4.664 4 HA2 GLY 1 HA2 GLY 1 5.401 -12.790 2.583 5 HA3 GLY 1 HA1 GLY 1 3.673 -13.142 2.649 6 H SER 2 HN SER 2 3.435 -13.068 0.386 7 HA SER 2 HA SER 2 3.059 -12.098 -1.663 8 HB2 SER 2 HB2 SER 2 1.398 -10.842 -0.347 9 HB3 SER 2 HB1 SER 2 2.621 -9.640 0.050 10 HG SER 2 HG SER 2 2.079 -10.339 -2.626 11 H VAL 3 HN VAL 3 4.874 -12.070 -2.859 12 HA VAL 3 HA VAL 3 7.249 -10.696 -2.274 13 HB VAL 3 HB VAL 3 7.039 -12.568 -3.907 14 HG11 VAL 3 HG11 VAL 3 4.921 -11.542 -4.943 15 HG12 VAL 3 HG12 VAL 3 6.098 -12.219 -6.067 16 HG13 VAL 3 HG13 VAL 3 6.007 -10.474 -5.831 17 HG21 VAL 3 HG21 VAL 3 8.671 -11.665 -5.481 18 HG22 VAL 3 HG22 VAL 3 8.992 -10.995 -3.881 19 HG23 VAL 3 HG23 VAL 3 8.173 -10.016 -5.098 20 H LYS 4 HN LYS 4 4.292 -9.638 -3.741 21 HA LYS 4 HA LYS 4 5.320 -7.298 -5.024 22 HB2 LYS 4 HB2 LYS 4 2.504 -7.935 -4.094 23 HB3 LYS 4 HB1 LYS 4 2.952 -6.636 -5.194 24 HG2 LYS 4 HG2 LYS 4 3.789 -9.457 -5.846 25 HG3 LYS 4 HG1 LYS 4 2.128 -8.964 -6.159 26 HD2 LYS 4 HD2 LYS 4 4.391 -7.227 -7.137 27 HD3 LYS 4 HD1 LYS 4 3.956 -8.671 -8.042 28 HE2 LYS 4 HE2 LYS 4 1.619 -7.861 -8.194 29 HE3 LYS 4 HE1 LYS 4 2.073 -6.401 -7.319 30 HZ1 LYS 4 HZ1 LYS 4 3.006 -7.284 -9.986 31 HZ2 LYS 4 HZ2 LYS 4 3.770 -6.045 -9.111 32 HZ3 LYS 4 HZ3 LYS 4 2.151 -5.872 -9.597 33 H LYS 5 HN LYS 5 4.714 -8.124 -1.781 34 HA LYS 5 HA LYS 5 4.722 -6.916 0.198 35 HB2 LYS 5 HB2 LYS 5 6.133 -4.871 -1.528 36 HB3 LYS 5 HB1 LYS 5 6.143 -4.923 0.236 37 HG2 LYS 5 HG2 LYS 5 7.084 -7.299 0.005 38 HG3 LYS 5 HG1 LYS 5 7.359 -6.910 -1.691 39 HD2 LYS 5 HD2 LYS 5 8.461 -5.322 0.646 40 HD3 LYS 5 HD1 LYS 5 9.375 -6.508 -0.282 41 HE2 LYS 5 HE2 LYS 5 8.192 -3.913 -1.317 42 HE3 LYS 5 HE1 LYS 5 9.896 -4.309 -1.144 43 HZ1 LYS 5 HZ1 LYS 5 9.576 -4.784 -3.333 44 HZ2 LYS 5 HZ2 LYS 5 7.965 -5.276 -3.123 45 HZ3 LYS 5 HZ3 LYS 5 9.236 -6.304 -2.662 46 H LEU 6 HN LEU 6 2.399 -6.681 -1.518 47 HA LEU 6 HA LEU 6 0.532 -5.366 -1.849 48 HB2 LEU 6 HB2 LEU 6 1.366 -4.118 0.775 49 HB3 LEU 6 HB1 LEU 6 -0.268 -4.308 0.140 50 HG LEU 6 HG LEU 6 1.595 -6.566 0.932 51 HD11 LEU 6 HD11 LEU 6 -0.009 -6.921 2.759 52 HD12 LEU 6 HD12 LEU 6 -0.963 -5.545 2.204 53 HD13 LEU 6 HD13 LEU 6 0.662 -5.293 2.840 54 HD21 LEU 6 HD21 LEU 6 -0.643 -7.867 0.651 55 HD22 LEU 6 HD22 LEU 6 0.247 -7.434 -0.806 56 HD23 LEU 6 HD23 LEU 6 -1.157 -6.485 -0.317 57 H ASN 7 HN ASN 7 3.070 -4.355 -2.930 58 HA ASN 7 HA ASN 7 3.421 -1.608 -2.514 59 HB2 ASN 7 HB2 ASN 7 4.969 -3.129 -3.781 60 HB3 ASN 7 HB1 ASN 7 3.841 -3.044 -5.134 61 HD21 ASN 7 HD21 ASN 7 5.342 -1.847 -6.499 62 HD22 ASN 7 HD22 ASN 7 5.748 -0.233 -6.167 63 H ASP 8 HN ASP 8 1.282 -3.396 -4.674 64 HA ASP 8 HA ASP 8 0.288 -1.208 -6.148 65 HB2 ASP 8 HB2 ASP 8 -0.030 -3.592 -6.776 66 HB3 ASP 8 HB1 ASP 8 -1.156 -3.766 -5.431 67 H GLU 9 HN GLU 9 -0.782 -2.672 -3.090 68 HA GLU 9 HA GLU 9 -3.182 -1.219 -2.819 69 HB2 GLU 9 HB2 GLU 9 -1.372 -2.431 -0.704 70 HB3 GLU 9 HB1 GLU 9 -2.945 -1.723 -0.360 71 HG2 GLU 9 HG2 GLU 9 -4.020 -3.318 -1.874 72 HG3 GLU 9 HG1 GLU 9 -2.450 -3.999 -2.295 73 H VAL 10 HN VAL 10 0.138 -0.424 -1.722 74 HA VAL 10 HA VAL 10 -0.704 2.010 -0.465 75 HB VAL 10 HB VAL 10 1.777 2.394 -0.365 76 HG11 VAL 10 HG11 VAL 10 0.562 1.281 1.458 77 HG12 VAL 10 HG12 VAL 10 2.166 0.575 1.259 78 HG13 VAL 10 HG13 VAL 10 0.747 -0.267 0.634 79 HG21 VAL 10 HG21 VAL 10 3.209 0.452 -0.941 80 HG22 VAL 10 HG22 VAL 10 2.438 1.157 -2.357 81 HG23 VAL 10 HG23 VAL 10 1.804 -0.325 -1.655 82 H ALA 11 HN ALA 11 0.741 1.068 -3.553 83 HA ALA 11 HA ALA 11 1.292 3.681 -4.488 84 HB1 ALA 11 HB1 ALA 11 0.525 1.292 -6.189 85 HB2 ALA 11 HB2 ALA 11 2.151 1.581 -5.562 86 HB3 ALA 11 HB3 ALA 11 1.431 2.716 -6.701 87 H LEU 12 HN LEU 12 -1.590 1.626 -4.742 88 HA LEU 12 HA LEU 12 -3.073 3.396 -6.369 89 HB2 LEU 12 HB2 LEU 12 -3.684 1.042 -6.158 90 HB3 LEU 12 HB1 LEU 12 -4.063 1.262 -4.456 91 HG LEU 12 HG LEU 12 -5.823 2.907 -5.082 92 HD11 LEU 12 HD11 LEU 12 -4.737 2.316 -7.826 93 HD12 LEU 12 HD12 LEU 12 -5.225 3.859 -7.125 94 HD13 LEU 12 HD13 LEU 12 -6.448 2.707 -7.649 95 HD21 LEU 12 HD21 LEU 12 -6.100 0.276 -6.565 96 HD22 LEU 12 HD22 LEU 12 -7.407 1.270 -5.923 97 HD23 LEU 12 HD23 LEU 12 -6.296 0.458 -4.822 98 H GLU 13 HN GLU 13 -2.751 3.062 -2.845 99 HA GLU 13 HA GLU 13 -4.820 4.779 -2.069 100 HB2 GLU 13 HB2 GLU 13 -3.542 3.299 -0.540 101 HB3 GLU 13 HB1 GLU 13 -2.148 4.366 -0.708 102 HG2 GLU 13 HG2 GLU 13 -3.440 6.236 0.215 103 HG3 GLU 13 HG1 GLU 13 -4.867 5.208 0.335 104 H ARG 14 HN ARG 14 -1.439 5.495 -2.927 105 HA ARG 14 HA ARG 14 -1.791 8.338 -2.419 106 HB2 ARG 14 HB2 ARG 14 0.464 6.585 -3.343 107 HB3 ARG 14 HB1 ARG 14 0.560 8.320 -3.644 108 HG2 ARG 14 HG2 ARG 14 1.623 7.761 -1.500 109 HG3 ARG 14 HG1 ARG 14 0.190 8.752 -1.235 110 HD2 ARG 14 HD2 ARG 14 -1.117 6.825 -0.617 111 HD3 ARG 14 HD1 ARG 14 0.169 5.730 -1.105 112 HE ARG 14 HE ARG 14 0.038 7.259 1.365 113 HH11 ARG 14 HH11 ARG 14 1.684 6.804 2.859 114 HH12 ARG 14 HH12 ARG 14 3.062 5.878 2.367 115 HH21 ARG 14 HH21 ARG 14 1.959 5.480 -0.897 116 HH22 ARG 14 HH22 ARG 14 3.218 5.127 0.240 117 H LEU 15 HN LEU 15 -2.116 6.161 -5.098 118 HA LEU 15 HA LEU 15 -1.744 7.947 -7.235 119 HB2 LEU 15 HB2 LEU 15 -1.894 5.519 -7.567 120 HB3 LEU 15 HB1 LEU 15 -3.580 5.534 -7.076 121 HG LEU 15 HG LEU 15 -4.107 7.036 -8.987 122 HD11 LEU 15 HD11 LEU 15 -2.158 8.226 -9.500 123 HD12 LEU 15 HD12 LEU 15 -2.180 7.025 -10.788 124 HD13 LEU 15 HD13 LEU 15 -1.130 6.798 -9.388 125 HD21 LEU 15 HD21 LEU 15 -4.457 4.708 -9.365 126 HD22 LEU 15 HD22 LEU 15 -2.729 4.397 -9.524 127 HD23 LEU 15 HD23 LEU 15 -3.584 5.289 -10.782 128 H LYS 16 HN LYS 16 -4.616 7.223 -5.264 129 HA LYS 16 HA LYS 16 -6.389 8.859 -6.804 130 HB2 LYS 16 HB2 LYS 16 -7.886 8.653 -4.814 131 HB3 LYS 16 HB1 LYS 16 -7.296 7.101 -5.409 132 HG2 LYS 16 HG2 LYS 16 -5.809 6.826 -3.620 133 HG3 LYS 16 HG1 LYS 16 -5.789 8.539 -3.230 134 HD2 LYS 16 HD2 LYS 16 -8.176 8.360 -2.512 135 HD3 LYS 16 HD1 LYS 16 -8.079 6.618 -2.781 136 HE2 LYS 16 HE2 LYS 16 -7.653 7.041 -0.431 137 HE3 LYS 16 HE1 LYS 16 -6.138 6.544 -1.184 138 HZ1 LYS 16 HZ1 LYS 16 -6.970 9.210 -0.266 139 HZ2 LYS 16 HZ2 LYS 16 -5.853 9.085 -1.539 140 HZ3 LYS 16 HZ3 LYS 16 -5.498 8.403 -0.025 141 H ASN 17 HN ASN 17 -4.185 9.455 -4.143 142 HA ASN 17 HA ASN 17 -5.201 11.957 -3.313 143 HB2 ASN 17 HB2 ASN 17 -3.483 10.592 -2.094 144 HB3 ASN 17 HB1 ASN 17 -2.308 11.074 -3.316 145 HD21 ASN 17 HD21 ASN 17 -0.994 12.532 -2.157 146 HD22 ASN 17 HD22 ASN 17 -1.584 13.911 -1.364 147 H GLU 18 HN GLU 18 -2.822 11.031 -5.766 148 HA GLU 18 HA GLU 18 -2.103 13.670 -6.521 149 HB2 GLU 18 HB2 GLU 18 -2.027 11.084 -8.092 150 HB3 GLU 18 HB1 GLU 18 -1.307 12.601 -8.633 151 HG2 GLU 18 HG2 GLU 18 -0.630 11.279 -5.993 152 HG3 GLU 18 HG1 GLU 18 0.310 11.054 -7.467 153 H ARG 19 HN ARG 19 -4.559 11.425 -7.675 154 HA ARG 19 HA ARG 19 -5.519 13.016 -9.824 155 HB2 ARG 19 HB2 ARG 19 -5.993 10.580 -9.574 156 HB3 ARG 19 HB1 ARG 19 -7.067 10.962 -8.226 157 HG2 ARG 19 HG2 ARG 19 -8.430 12.384 -9.721 158 HG3 ARG 19 HG1 ARG 19 -7.364 11.976 -11.067 159 HD2 ARG 19 HD2 ARG 19 -9.294 10.522 -11.173 160 HD3 ARG 19 HD1 ARG 19 -7.905 9.559 -10.678 161 HE ARG 19 HE ARG 19 -8.902 9.265 -8.591 162 HH11 ARG 19 HH11 ARG 19 -10.657 9.448 -7.158 163 HH12 ARG 19 HH12 ARG 19 -11.923 10.583 -7.491 164 HH21 ARG 19 HH21 ARG 19 -10.481 11.731 -10.428 165 HH22 ARG 19 HH22 ARG 19 -11.823 11.876 -9.343 166 H HIS 20 HN HIS 20 -6.407 12.802 -6.417 167 HA HIS 20 HA HIS 20 -8.745 14.337 -6.436 168 HB2 HIS 20 HB2 HIS 20 -7.855 13.028 -4.493 169 HB3 HIS 20 HB1 HIS 20 -6.638 14.283 -4.265 170 HD2 HIS 20 HD2 HIS 20 -10.403 13.681 -3.521 171 HE1 HIS 20 HE1 HIS 20 -9.511 17.639 -2.355 172 HE2 HIS 20 HE2 HIS 20 -11.271 15.810 -2.283 173 H VAL 21 HN VAL 21 -5.368 15.333 -6.058 174 HA VAL 21 HA VAL 21 -6.061 18.140 -5.894 175 HB VAL 21 HB VAL 21 -3.640 18.559 -5.910 176 HG11 VAL 21 HG11 VAL 21 -3.089 17.230 -3.846 177 HG12 VAL 21 HG12 VAL 21 -4.581 16.326 -4.091 178 HG13 VAL 21 HG13 VAL 21 -4.643 18.059 -3.774 179 HG21 VAL 21 HG21 VAL 21 -2.031 16.757 -6.052 180 HG22 VAL 21 HG22 VAL 21 -3.050 16.673 -7.483 181 HG23 VAL 21 HG23 VAL 21 -3.308 15.558 -6.147 182 H HIS 22 HN HIS 22 -5.337 15.870 -8.386 183 HA HIS 22 HA HIS 22 -4.385 17.621 -10.376 184 HB2 HIS 22 HB2 HIS 22 -4.276 15.120 -10.465 185 HB3 HIS 22 HB1 HIS 22 -5.998 15.095 -10.829 186 HD2 HIS 22 HD2 HIS 22 -2.639 15.690 -12.641 187 HE1 HIS 22 HE1 HIS 22 -5.700 16.674 -15.376 188 HE2 HIS 22 HE2 HIS 22 -3.206 16.269 -15.123 189 H ASP 23 HN ASP 23 -7.690 16.710 -9.432 190 HA ASP 23 HA ASP 23 -8.983 18.026 -11.593 191 HB2 ASP 23 HB2 ASP 23 -10.991 17.910 -10.056 192 HB3 ASP 23 HB1 ASP 23 -10.203 16.366 -10.378 193 H GLU 24 HN GLU 24 -7.948 19.046 -8.383 194 HA GLU 24 HA GLU 24 -9.257 21.578 -8.388 195 HB2 GLU 24 HB2 GLU 24 -6.904 20.516 -6.815 196 HB3 GLU 24 HB1 GLU 24 -7.401 22.199 -6.687 197 HG2 GLU 24 HG2 GLU 24 -9.500 21.646 -5.780 198 HG3 GLU 24 HG1 GLU 24 -9.420 19.978 -6.323 199 H GLU 25 HN GLU 25 -6.123 20.491 -9.550 200 HA GLU 25 HA GLU 25 -5.072 23.074 -10.168 201 HB2 GLU 25 HB2 GLU 25 -4.374 20.284 -11.082 202 HB3 GLU 25 HB1 GLU 25 -3.603 21.689 -11.811 203 HG2 GLU 25 HG2 GLU 25 -2.748 22.401 -9.650 204 HG3 GLU 25 HG1 GLU 25 -3.628 21.119 -8.825 205 H VAL 26 HN VAL 26 -7.014 20.772 -12.044 206 HA VAL 26 HA VAL 26 -6.843 22.182 -14.510 207 HB VAL 26 HB VAL 26 -8.818 20.114 -13.495 208 HG11 VAL 26 HG11 VAL 26 -8.660 21.562 -16.147 209 HG12 VAL 26 HG12 VAL 26 -10.063 21.369 -15.096 210 HG13 VAL 26 HG13 VAL 26 -9.432 19.985 -15.987 211 HG21 VAL 26 HG21 VAL 26 -6.684 19.087 -13.942 212 HG22 VAL 26 HG22 VAL 26 -6.435 20.071 -15.379 213 HG23 VAL 26 HG23 VAL 26 -7.647 18.795 -15.384 214 H GLU 27 HN GLU 27 -9.196 22.187 -11.852 215 HA GLU 27 HA GLU 27 -11.021 23.987 -13.086 216 HB2 GLU 27 HB2 GLU 27 -10.570 23.013 -10.289 217 HB3 GLU 27 HB1 GLU 27 -11.604 24.422 -10.525 218 HG2 GLU 27 HG2 GLU 27 -12.899 22.303 -10.530 219 HG3 GLU 27 HG1 GLU 27 -13.024 23.160 -12.064 220 H LEU 28 HN LEU 28 -8.201 24.522 -11.004 221 HA LEU 28 HA LEU 28 -8.584 27.266 -10.594 222 HB2 LEU 28 HB2 LEU 28 -7.024 25.978 -9.247 223 HB3 LEU 28 HB1 LEU 28 -6.036 25.616 -10.655 224 HG LEU 28 HG LEU 28 -5.604 28.028 -10.950 225 HD11 LEU 28 HD11 LEU 28 -7.415 29.194 -10.041 226 HD12 LEU 28 HD12 LEU 28 -6.201 29.414 -8.786 227 HD13 LEU 28 HD13 LEU 28 -7.461 28.195 -8.588 228 HD21 LEU 28 HD21 LEU 28 -4.050 26.650 -9.641 229 HD22 LEU 28 HD22 LEU 28 -4.992 26.961 -8.182 230 HD23 LEU 28 HD23 LEU 28 -4.135 28.282 -8.978 231 H GLU 29 HN GLU 29 -6.989 25.460 -13.192 232 HA GLU 29 HA GLU 29 -5.861 27.710 -14.499 233 HB2 GLU 29 HB2 GLU 29 -6.539 24.925 -15.445 234 HB3 GLU 29 HB1 GLU 29 -5.928 26.145 -16.557 235 HG2 GLU 29 HG2 GLU 29 -4.494 25.377 -13.990 236 HG3 GLU 29 HG1 GLU 29 -4.137 24.670 -15.560 237 H ARG 30 HN ARG 30 -8.944 26.028 -14.877 238 HA ARG 30 HA ARG 30 -9.858 27.560 -17.072 239 HB2 ARG 30 HB2 ARG 30 -10.802 25.345 -16.253 240 HB3 ARG 30 HB1 ARG 30 -11.604 26.263 -14.982 241 HG2 ARG 30 HG2 ARG 30 -13.270 26.222 -16.619 242 HG3 ARG 30 HG1 ARG 30 -12.472 27.747 -16.988 243 HD2 ARG 30 HD2 ARG 30 -12.803 26.482 -19.053 244 HD3 ARG 30 HD1 ARG 30 -11.084 26.565 -18.701 245 HE ARG 30 HE ARG 30 -12.209 24.217 -17.557 246 HH11 ARG 30 HH11 ARG 30 -11.785 22.241 -18.575 247 HH12 ARG 30 HH12 ARG 30 -11.239 22.215 -20.218 248 HH21 ARG 30 HH21 ARG 30 -11.276 25.665 -20.563 249 HH22 ARG 30 HH22 ARG 30 -10.950 24.155 -21.345 250 H LEU 31 HN LEU 31 -10.149 27.952 -13.579 251 HA LEU 31 HA LEU 31 -12.050 29.976 -13.465 252 HB2 LEU 31 HB2 LEU 31 -10.751 28.664 -11.574 253 HB3 LEU 31 HB1 LEU 31 -9.678 30.059 -11.619 254 HG LEU 31 HG LEU 31 -12.680 30.133 -11.172 255 HD11 LEU 31 HD11 LEU 31 -10.404 30.813 -9.290 256 HD12 LEU 31 HD12 LEU 31 -11.282 29.283 -9.268 257 HD13 LEU 31 HD13 LEU 31 -12.125 30.789 -8.905 258 HD21 LEU 31 HD21 LEU 31 -12.162 32.157 -12.278 259 HD22 LEU 31 HD22 LEU 31 -10.587 32.289 -11.496 260 HD23 LEU 31 HD23 LEU 31 -12.059 32.586 -10.571 261 H LYS 32 HN LYS 32 -8.489 30.428 -13.407 262 HA LYS 32 HA LYS 32 -8.596 33.235 -13.675 263 HB2 LYS 32 HB2 LYS 32 -6.240 33.018 -14.468 264 HB3 LYS 32 HB1 LYS 32 -6.559 32.185 -12.950 265 HG2 LYS 32 HG2 LYS 32 -6.866 30.065 -14.227 266 HG3 LYS 32 HG1 LYS 32 -6.423 30.919 -15.700 267 HD2 LYS 32 HD2 LYS 32 -4.604 30.925 -13.293 268 HD3 LYS 32 HD1 LYS 32 -4.555 29.618 -14.470 269 HE2 LYS 32 HE2 LYS 32 -4.214 31.353 -16.272 270 HE3 LYS 32 HE1 LYS 32 -4.048 32.558 -14.995 271 HZ1 LYS 32 HZ1 LYS 32 -2.206 31.337 -14.088 272 HZ2 LYS 32 HZ2 LYS 32 -1.910 31.670 -15.728 273 HZ3 LYS 32 HZ3 LYS 32 -2.391 30.113 -15.248 274 H ASN 33 HN ASN 33 -8.404 30.668 -16.078 275 HA ASN 33 HA ASN 33 -8.019 32.304 -18.346 276 HB2 ASN 33 HB2 ASN 33 -9.298 29.583 -18.059 277 HB3 ASN 33 HB1 ASN 33 -9.022 30.363 -19.612 278 HD21 ASN 33 HD21 ASN 33 -7.710 27.895 -18.802 279 HD22 ASN 33 HD22 ASN 33 -6.047 28.220 -18.699 280 H GLU 34 HN GLU 34 -10.954 31.196 -16.715 281 HA GLU 34 HA GLU 34 -12.822 32.168 -18.592 282 HB2 GLU 34 HB2 GLU 34 -13.382 30.578 -16.779 283 HB3 GLU 34 HB1 GLU 34 -13.140 31.863 -15.595 284 HG2 GLU 34 HG2 GLU 34 -14.939 33.179 -16.607 285 HG3 GLU 34 HG1 GLU 34 -15.150 31.961 -17.863 286 H ARG 35 HN ARG 35 -11.325 33.650 -15.751 287 HA ARG 35 HA ARG 35 -12.771 36.125 -16.026 288 HB2 ARG 35 HB2 ARG 35 -11.857 35.291 -13.845 289 HB3 ARG 35 HB1 ARG 35 -10.234 35.636 -14.442 290 HG2 ARG 35 HG2 ARG 35 -10.888 38.003 -14.792 291 HG3 ARG 35 HG1 ARG 35 -12.483 37.641 -14.127 292 HD2 ARG 35 HD2 ARG 35 -11.128 38.557 -12.344 293 HD3 ARG 35 HD1 ARG 35 -11.356 36.838 -12.032 294 HE ARG 35 HE ARG 35 -8.968 37.306 -13.532 295 HH11 ARG 35 HH11 ARG 35 -6.998 37.063 -12.431 296 HH12 ARG 35 HH12 ARG 35 -6.975 37.072 -10.698 297 HH21 ARG 35 HH21 ARG 35 -10.404 37.503 -10.393 298 HH22 ARG 35 HH22 ARG 35 -8.905 37.320 -9.544 299 H HIS 36 HN HIS 36 -9.757 34.829 -17.195 300 HA HIS 36 HA HIS 36 -8.520 37.257 -17.971 301 HB2 HIS 36 HB2 HIS 36 -7.247 35.160 -17.752 302 HB3 HIS 36 HB1 HIS 36 -8.107 34.486 -19.134 303 HD2 HIS 36 HD2 HIS 36 -6.956 35.118 -21.575 304 HE1 HIS 36 HE1 HIS 36 -4.423 38.214 -20.225 305 HE2 HIS 36 HE2 HIS 36 -5.067 36.796 -22.231 306 H ASP 37 HN ASP 37 -10.775 35.091 -19.656 307 HA ASP 37 HA ASP 37 -10.517 36.250 -22.219 308 HB2 ASP 37 HB2 ASP 37 -12.646 35.136 -22.712 309 HB3 ASP 37 HB1 ASP 37 -11.570 34.058 -21.826 310 H HIS 38 HN HIS 38 -12.011 37.357 -19.346 311 HA HIS 38 HA HIS 38 -13.565 39.406 -20.820 312 HB2 HIS 38 HB2 HIS 38 -14.776 37.909 -19.176 313 HB3 HIS 38 HB1 HIS 38 -13.820 38.665 -17.899 314 HD2 HIS 38 HD2 HIS 38 -15.593 40.563 -20.920 315 HE1 HIS 38 HE1 HIS 38 -17.020 42.127 -17.269 316 HE2 HIS 38 HE2 HIS 38 -17.100 42.370 -19.796 317 H ASP 39 HN ASP 39 -10.795 38.875 -18.898 318 HA ASP 39 HA ASP 39 -9.224 40.289 -17.984 319 HB2 ASP 39 HB2 ASP 39 -9.478 41.246 -20.351 320 HB3 ASP 39 HB1 ASP 39 -10.499 42.485 -19.621 321 H TYR 40 HN TYR 40 -11.635 39.883 -16.523 322 HA TYR 40 HA TYR 40 -12.410 42.519 -15.478 323 HB2 TYR 40 HB2 TYR 40 -14.135 40.769 -15.817 324 HB3 TYR 40 HB1 TYR 40 -13.323 39.761 -14.620 325 HD1 TYR 40 HD1 TYR 40 -15.127 42.963 -15.138 326 HD2 TYR 40 HD2 TYR 40 -13.520 40.198 -12.271 327 HE1 TYR 40 HE1 TYR 40 -16.324 44.152 -13.319 328 HE2 TYR 40 HE2 TYR 40 -14.717 41.385 -10.453 329 HH TYR 40 HH TYR 40 -16.714 42.847 -10.219 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 5.970 -13.486 8.574 2 H2 GLY 1 HT2 GLY 1 5.392 -14.244 9.980 3 H3 GLY 1 HT3 GLY 1 6.591 -14.994 9.041 4 HA2 GLY 1 HA2 GLY 1 7.094 -13.557 11.241 5 HA3 GLY 1 HA1 GLY 1 8.252 -13.807 9.934 6 H SER 2 HN SER 2 5.500 -11.704 10.794 7 HA SER 2 HA SER 2 5.191 -9.441 10.567 8 HB2 SER 2 HB2 SER 2 7.028 -8.041 10.877 9 HB3 SER 2 HB1 SER 2 7.616 -9.555 11.559 10 HG SER 2 HG SER 2 9.154 -9.326 10.145 11 H VAL 3 HN VAL 3 5.628 -7.577 8.942 12 HA VAL 3 HA VAL 3 5.935 -8.674 6.205 13 HB VAL 3 HB VAL 3 4.045 -7.243 5.490 14 HG11 VAL 3 HG11 VAL 3 3.606 -9.586 6.010 15 HG12 VAL 3 HG12 VAL 3 2.253 -8.608 6.576 16 HG13 VAL 3 HG13 VAL 3 3.450 -9.207 7.725 17 HG21 VAL 3 HG21 VAL 3 2.541 -6.390 7.355 18 HG22 VAL 3 HG22 VAL 3 4.071 -5.529 7.181 19 HG23 VAL 3 HG23 VAL 3 3.870 -6.709 8.468 20 H LYS 4 HN LYS 4 5.681 -6.486 4.689 21 HA LYS 4 HA LYS 4 7.018 -4.187 5.747 22 HB2 LYS 4 HB2 LYS 4 9.053 -4.399 4.359 23 HB3 LYS 4 HB1 LYS 4 8.956 -5.662 5.587 24 HG2 LYS 4 HG2 LYS 4 7.995 -7.204 3.890 25 HG3 LYS 4 HG1 LYS 4 8.179 -5.945 2.668 26 HD2 LYS 4 HD2 LYS 4 10.616 -5.902 3.083 27 HD3 LYS 4 HD1 LYS 4 10.428 -7.179 4.285 28 HE2 LYS 4 HE2 LYS 4 9.662 -7.423 1.360 29 HE3 LYS 4 HE1 LYS 4 11.131 -8.082 2.079 30 HZ1 LYS 4 HZ1 LYS 4 8.358 -8.778 2.886 31 HZ2 LYS 4 HZ2 LYS 4 9.782 -9.426 3.550 32 HZ3 LYS 4 HZ3 LYS 4 9.376 -9.744 1.931 33 H LYS 5 HN LYS 5 4.760 -5.329 3.945 34 HA LYS 5 HA LYS 5 5.262 -3.822 1.470 35 HB2 LYS 5 HB2 LYS 5 2.992 -5.629 2.330 36 HB3 LYS 5 HB1 LYS 5 3.080 -4.801 0.773 37 HG2 LYS 5 HG2 LYS 5 5.000 -6.018 0.102 38 HG3 LYS 5 HG1 LYS 5 5.325 -6.577 1.744 39 HD2 LYS 5 HD2 LYS 5 4.323 -8.365 0.341 40 HD3 LYS 5 HD1 LYS 5 3.285 -7.943 1.704 41 HE2 LYS 5 HE2 LYS 5 2.885 -6.501 -0.905 42 HE3 LYS 5 HE1 LYS 5 2.265 -8.141 -0.734 43 HZ1 LYS 5 HZ1 LYS 5 1.650 -5.835 1.031 44 HZ2 LYS 5 HZ2 LYS 5 1.128 -7.426 1.306 45 HZ3 LYS 5 HZ3 LYS 5 0.595 -6.578 -0.066 46 H LEU 6 HN LEU 6 3.858 -3.381 4.510 47 HA LEU 6 HA LEU 6 1.669 -1.712 3.915 48 HB2 LEU 6 HB2 LEU 6 3.487 -1.957 6.320 49 HB3 LEU 6 HB1 LEU 6 2.208 -0.755 6.276 50 HG LEU 6 HG LEU 6 1.526 -2.934 7.349 51 HD11 LEU 6 HD11 LEU 6 -0.629 -2.690 6.585 52 HD12 LEU 6 HD12 LEU 6 -0.172 -2.744 4.890 53 HD13 LEU 6 HD13 LEU 6 0.025 -1.257 5.808 54 HD21 LEU 6 HD21 LEU 6 2.900 -4.291 5.651 55 HD22 LEU 6 HD22 LEU 6 1.565 -4.040 4.533 56 HD23 LEU 6 HD23 LEU 6 1.302 -4.916 6.036 57 H ASN 7 HN ASN 7 5.086 -0.990 4.394 58 HA ASN 7 HA ASN 7 4.831 1.835 4.226 59 HB2 ASN 7 HB2 ASN 7 7.234 1.849 3.920 60 HB3 ASN 7 HB1 ASN 7 6.823 0.643 5.137 61 HD21 ASN 7 HD21 ASN 7 9.242 0.623 3.444 62 HD22 ASN 7 HD22 ASN 7 9.171 -0.802 2.524 63 H ASP 8 HN ASP 8 5.311 -0.713 1.832 64 HA ASP 8 HA ASP 8 5.882 0.929 -0.395 65 HB2 ASP 8 HB2 ASP 8 6.219 -1.520 -0.375 66 HB3 ASP 8 HB1 ASP 8 4.471 -1.750 -0.336 67 H GLU 9 HN GLU 9 2.838 -0.307 0.907 68 HA GLU 9 HA GLU 9 1.130 0.701 -1.099 69 HB2 GLU 9 HB2 GLU 9 0.417 -0.988 0.566 70 HB3 GLU 9 HB1 GLU 9 0.472 0.241 1.826 71 HG2 GLU 9 HG2 GLU 9 -1.216 1.567 0.654 72 HG3 GLU 9 HG1 GLU 9 -1.244 0.392 -0.660 73 H VAL 10 HN VAL 10 2.425 2.172 1.861 74 HA VAL 10 HA VAL 10 0.843 4.485 1.830 75 HB VAL 10 HB VAL 10 3.555 3.899 3.056 76 HG11 VAL 10 HG11 VAL 10 1.818 6.352 3.130 77 HG12 VAL 10 HG12 VAL 10 3.532 6.236 2.746 78 HG13 VAL 10 HG13 VAL 10 2.981 5.983 4.399 79 HG21 VAL 10 HG21 VAL 10 0.893 4.332 4.399 80 HG22 VAL 10 HG22 VAL 10 2.350 3.588 5.055 81 HG23 VAL 10 HG23 VAL 10 1.400 2.736 3.841 82 H ALA 11 HN ALA 11 3.898 3.616 0.294 83 HA ALA 11 HA ALA 11 4.653 6.198 -0.574 84 HB1 ALA 11 HB1 ALA 11 6.223 4.331 -0.635 85 HB2 ALA 11 HB2 ALA 11 6.012 4.973 -2.262 86 HB3 ALA 11 HB3 ALA 11 5.205 3.478 -1.799 87 H LEU 12 HN LEU 12 2.672 3.657 -2.081 88 HA LEU 12 HA LEU 12 2.219 5.105 -4.511 89 HB2 LEU 12 HB2 LEU 12 1.085 2.648 -3.221 90 HB3 LEU 12 HB1 LEU 12 0.148 3.394 -4.517 91 HG LEU 12 HG LEU 12 2.108 3.288 -5.994 92 HD11 LEU 12 HD11 LEU 12 4.075 1.914 -5.209 93 HD12 LEU 12 HD12 LEU 12 3.398 1.992 -3.587 94 HD13 LEU 12 HD13 LEU 12 3.909 3.471 -4.396 95 HD21 LEU 12 HD21 LEU 12 0.547 1.405 -5.985 96 HD22 LEU 12 HD22 LEU 12 1.414 0.671 -4.635 97 HD23 LEU 12 HD23 LEU 12 2.192 0.810 -6.211 98 H GLU 13 HN GLU 13 0.559 4.913 -1.417 99 HA GLU 13 HA GLU 13 -1.830 6.199 -2.175 100 HB2 GLU 13 HB2 GLU 13 -1.414 4.967 -0.009 101 HB3 GLU 13 HB1 GLU 13 -0.474 6.357 0.529 102 HG2 GLU 13 HG2 GLU 13 -3.314 6.659 -0.474 103 HG3 GLU 13 HG1 GLU 13 -2.962 6.287 1.208 104 H ARG 14 HN ARG 14 1.279 7.440 -0.999 105 HA ARG 14 HA ARG 14 0.530 10.161 -0.790 106 HB2 ARG 14 HB2 ARG 14 2.581 9.252 0.227 107 HB3 ARG 14 HB1 ARG 14 3.250 8.976 -1.383 108 HG2 ARG 14 HG2 ARG 14 3.251 11.335 -1.873 109 HG3 ARG 14 HG1 ARG 14 2.342 11.694 -0.404 110 HD2 ARG 14 HD2 ARG 14 4.718 12.191 -0.064 111 HD3 ARG 14 HD1 ARG 14 4.224 10.845 0.958 112 HE ARG 14 HE ARG 14 5.264 9.936 -1.552 113 HH11 ARG 14 HH11 ARG 14 7.309 8.946 -1.507 114 HH12 ARG 14 HH12 ARG 14 8.342 9.166 -0.135 115 HH21 ARG 14 HH21 ARG 14 6.095 11.187 1.566 116 HH22 ARG 14 HH22 ARG 14 7.655 10.436 1.605 117 H LEU 15 HN LEU 15 1.925 8.266 -3.442 118 HA LEU 15 HA LEU 15 2.278 10.389 -5.240 119 HB2 LEU 15 HB2 LEU 15 3.310 8.208 -5.625 120 HB3 LEU 15 HB1 LEU 15 1.734 7.455 -5.809 121 HG LEU 15 HG LEU 15 1.279 8.884 -7.784 122 HD11 LEU 15 HD11 LEU 15 3.944 10.039 -6.982 123 HD12 LEU 15 HD12 LEU 15 2.471 10.873 -7.486 124 HD13 LEU 15 HD13 LEU 15 3.465 10.052 -8.679 125 HD21 LEU 15 HD21 LEU 15 3.864 7.318 -7.805 126 HD22 LEU 15 HD22 LEU 15 3.062 7.906 -9.262 127 HD23 LEU 15 HD23 LEU 15 2.254 6.732 -8.224 128 H LYS 16 HN LYS 16 -0.492 8.323 -4.563 129 HA LYS 16 HA LYS 16 -2.123 9.180 -6.714 130 HB2 LYS 16 HB2 LYS 16 -2.801 7.999 -4.000 131 HB3 LYS 16 HB1 LYS 16 -4.004 8.342 -5.233 132 HG2 LYS 16 HG2 LYS 16 -1.562 6.719 -5.953 133 HG3 LYS 16 HG1 LYS 16 -2.898 5.946 -5.100 134 HD2 LYS 16 HD2 LYS 16 -4.454 6.767 -6.877 135 HD3 LYS 16 HD1 LYS 16 -3.071 7.402 -7.759 136 HE2 LYS 16 HE2 LYS 16 -2.098 5.147 -7.870 137 HE3 LYS 16 HE1 LYS 16 -3.490 4.508 -6.994 138 HZ1 LYS 16 HZ1 LYS 16 -4.414 4.254 -8.986 139 HZ2 LYS 16 HZ2 LYS 16 -3.245 5.214 -9.757 140 HZ3 LYS 16 HZ3 LYS 16 -4.595 5.941 -9.025 141 H ASN 17 HN ASN 17 -1.620 10.414 -3.444 142 HA ASN 17 HA ASN 17 -3.735 12.273 -3.414 143 HB2 ASN 17 HB2 ASN 17 -1.068 12.193 -1.997 144 HB3 ASN 17 HB1 ASN 17 -2.273 13.444 -1.695 145 HD21 ASN 17 HD21 ASN 17 -1.478 11.594 0.354 146 HD22 ASN 17 HD22 ASN 17 -2.808 10.604 0.710 147 H GLU 18 HN GLU 18 -0.402 12.464 -4.561 148 HA GLU 18 HA GLU 18 -0.346 15.251 -5.106 149 HB2 GLU 18 HB2 GLU 18 1.682 13.837 -5.068 150 HB3 GLU 18 HB1 GLU 18 1.134 13.029 -6.540 151 HG2 GLU 18 HG2 GLU 18 1.230 15.106 -7.777 152 HG3 GLU 18 HG1 GLU 18 1.614 16.009 -6.315 153 H ARG 19 HN ARG 19 -1.241 12.483 -7.123 154 HA ARG 19 HA ARG 19 -1.775 13.978 -9.467 155 HB2 ARG 19 HB2 ARG 19 -1.433 11.473 -9.357 156 HB3 ARG 19 HB1 ARG 19 -3.060 11.354 -8.690 157 HG2 ARG 19 HG2 ARG 19 -3.461 11.049 -10.978 158 HG3 ARG 19 HG1 ARG 19 -3.753 12.774 -10.799 159 HD2 ARG 19 HD2 ARG 19 -1.487 13.278 -11.581 160 HD3 ARG 19 HD1 ARG 19 -1.107 11.564 -11.655 161 HE ARG 19 HE ARG 19 -2.686 13.084 -13.552 162 HH11 ARG 19 HH11 ARG 19 -3.300 11.933 -15.410 163 HH12 ARG 19 HH12 ARG 19 -3.138 10.209 -15.449 164 HH21 ARG 19 HH21 ARG 19 -1.848 9.994 -12.237 165 HH22 ARG 19 HH22 ARG 19 -2.317 9.110 -13.652 166 H HIS 20 HN HIS 20 -3.758 13.014 -6.730 167 HA HIS 20 HA HIS 20 -6.278 13.752 -7.728 168 HB2 HIS 20 HB2 HIS 20 -5.978 12.470 -5.644 169 HB3 HIS 20 HB1 HIS 20 -5.259 13.885 -4.877 170 HD2 HIS 20 HD2 HIS 20 -7.122 15.591 -3.727 171 HE1 HIS 20 HE1 HIS 20 -10.563 14.044 -5.623 172 HE2 HIS 20 HE2 HIS 20 -9.726 15.706 -3.895 173 H VAL 21 HN VAL 21 -3.811 15.660 -5.990 174 HA VAL 21 HA VAL 21 -5.275 18.022 -5.722 175 HB VAL 21 HB VAL 21 -2.307 17.482 -5.925 176 HG11 VAL 21 HG11 VAL 21 -3.823 20.056 -5.508 177 HG12 VAL 21 HG12 VAL 21 -2.514 19.726 -6.638 178 HG13 VAL 21 HG13 VAL 21 -2.176 19.845 -4.916 179 HG21 VAL 21 HG21 VAL 21 -3.489 16.626 -3.912 180 HG22 VAL 21 HG22 VAL 21 -4.136 18.236 -3.618 181 HG23 VAL 21 HG23 VAL 21 -2.401 17.947 -3.499 182 H HIS 22 HN HIS 22 -3.099 16.895 -8.292 183 HA HIS 22 HA HIS 22 -3.296 19.251 -9.869 184 HB2 HIS 22 HB2 HIS 22 -2.455 16.418 -10.465 185 HB3 HIS 22 HB1 HIS 22 -2.527 17.636 -11.738 186 HD2 HIS 22 HD2 HIS 22 0.004 16.393 -9.259 187 HE1 HIS 22 HE1 HIS 22 1.096 20.402 -9.990 188 HE2 HIS 22 HE2 HIS 22 1.864 18.204 -8.974 189 H ASP 23 HN ASP 23 -5.216 16.316 -9.674 190 HA ASP 23 HA ASP 23 -6.668 16.563 -12.059 191 HB2 ASP 23 HB2 ASP 23 -7.413 15.372 -9.381 192 HB3 ASP 23 HB1 ASP 23 -8.436 15.252 -10.803 193 H GLU 24 HN GLU 24 -7.252 17.911 -8.845 194 HA GLU 24 HA GLU 24 -9.674 19.276 -9.710 195 HB2 GLU 24 HB2 GLU 24 -8.125 19.133 -7.122 196 HB3 GLU 24 HB1 GLU 24 -9.352 20.373 -7.345 197 HG2 GLU 24 HG2 GLU 24 -10.386 18.449 -6.302 198 HG3 GLU 24 HG1 GLU 24 -10.993 18.580 -7.946 199 H GLU 25 HN GLU 25 -6.299 19.920 -9.544 200 HA GLU 25 HA GLU 25 -6.315 22.746 -9.372 201 HB2 GLU 25 HB2 GLU 25 -4.274 21.337 -9.183 202 HB3 GLU 25 HB1 GLU 25 -4.359 21.006 -10.906 203 HG2 GLU 25 HG2 GLU 25 -4.158 23.383 -11.421 204 HG3 GLU 25 HG1 GLU 25 -4.136 23.766 -9.700 205 H VAL 26 HN VAL 26 -6.620 20.571 -12.158 206 HA VAL 26 HA VAL 26 -6.519 22.521 -14.179 207 HB VAL 26 HB VAL 26 -6.551 19.909 -14.356 208 HG11 VAL 26 HG11 VAL 26 -9.501 20.373 -14.814 209 HG12 VAL 26 HG12 VAL 26 -8.916 19.903 -13.231 210 HG13 VAL 26 HG13 VAL 26 -8.651 18.846 -14.609 211 HG21 VAL 26 HG21 VAL 26 -7.604 20.105 -16.662 212 HG22 VAL 26 HG22 VAL 26 -6.300 21.242 -16.323 213 HG23 VAL 26 HG23 VAL 26 -7.979 21.780 -16.254 214 H GLU 27 HN GLU 27 -9.097 21.499 -12.033 215 HA GLU 27 HA GLU 27 -11.228 22.766 -13.442 216 HB2 GLU 27 HB2 GLU 27 -11.581 20.951 -11.777 217 HB3 GLU 27 HB1 GLU 27 -11.049 22.050 -10.503 218 HG2 GLU 27 HG2 GLU 27 -13.486 22.047 -10.590 219 HG3 GLU 27 HG1 GLU 27 -12.898 23.613 -11.127 220 H LEU 28 HN LEU 28 -9.082 23.721 -10.819 221 HA LEU 28 HA LEU 28 -10.360 26.216 -10.298 222 HB2 LEU 28 HB2 LEU 28 -7.698 25.006 -9.595 223 HB3 LEU 28 HB1 LEU 28 -8.003 26.703 -9.233 224 HG LEU 28 HG LEU 28 -10.039 24.622 -8.388 225 HD11 LEU 28 HD11 LEU 28 -7.998 23.723 -7.489 226 HD12 LEU 28 HD12 LEU 28 -8.826 24.565 -6.179 227 HD13 LEU 28 HD13 LEU 28 -7.450 25.322 -6.983 228 HD21 LEU 28 HD21 LEU 28 -10.398 26.307 -6.593 229 HD22 LEU 28 HD22 LEU 28 -10.618 27.008 -8.187 230 HD23 LEU 28 HD23 LEU 28 -9.133 27.308 -7.293 231 H GLU 29 HN GLU 29 -8.149 25.152 -12.653 232 HA GLU 29 HA GLU 29 -6.914 27.627 -13.298 233 HB2 GLU 29 HB2 GLU 29 -7.350 25.072 -14.835 234 HB3 GLU 29 HB1 GLU 29 -6.651 26.473 -15.628 235 HG2 GLU 29 HG2 GLU 29 -5.547 25.299 -13.055 236 HG3 GLU 29 HG1 GLU 29 -4.953 24.883 -14.655 237 H ARG 30 HN ARG 30 -10.041 26.343 -13.932 238 HA ARG 30 HA ARG 30 -10.741 27.848 -16.214 239 HB2 ARG 30 HB2 ARG 30 -12.299 26.571 -13.980 240 HB3 ARG 30 HB1 ARG 30 -13.130 27.556 -15.176 241 HG2 ARG 30 HG2 ARG 30 -13.105 25.149 -15.798 242 HG3 ARG 30 HG1 ARG 30 -12.270 26.158 -16.980 243 HD2 ARG 30 HD2 ARG 30 -10.120 25.520 -16.145 244 HD3 ARG 30 HD1 ARG 30 -10.829 24.751 -14.728 245 HE ARG 30 HE ARG 30 -11.257 22.879 -16.034 246 HH11 ARG 30 HH11 ARG 30 -11.141 21.691 -17.964 247 HH12 ARG 30 HH12 ARG 30 -10.781 22.500 -19.453 248 HH21 ARG 30 HH21 ARG 30 -10.520 25.634 -17.993 249 HH22 ARG 30 HH22 ARG 30 -10.430 24.733 -19.470 250 H LEU 31 HN LEU 31 -10.796 28.609 -12.775 251 HA LEU 31 HA LEU 31 -12.273 30.993 -12.918 252 HB2 LEU 31 HB2 LEU 31 -10.181 29.940 -11.013 253 HB3 LEU 31 HB1 LEU 31 -10.853 31.550 -10.789 254 HG LEU 31 HG LEU 31 -12.058 29.747 -9.498 255 HD11 LEU 31 HD11 LEU 31 -13.101 31.968 -10.686 256 HD12 LEU 31 HD12 LEU 31 -14.060 30.857 -9.725 257 HD13 LEU 31 HD13 LEU 31 -14.076 30.732 -11.478 258 HD21 LEU 31 HD21 LEU 31 -11.768 28.059 -11.413 259 HD22 LEU 31 HD22 LEU 31 -13.113 28.886 -12.200 260 HD23 LEU 31 HD23 LEU 31 -13.352 28.096 -10.645 261 H LYS 32 HN LYS 32 -8.806 30.406 -13.212 262 HA LYS 32 HA LYS 32 -8.088 33.145 -13.486 263 HB2 LYS 32 HB2 LYS 32 -6.652 30.595 -14.257 264 HB3 LYS 32 HB1 LYS 32 -5.944 32.202 -14.407 265 HG2 LYS 32 HG2 LYS 32 -6.277 32.578 -11.996 266 HG3 LYS 32 HG1 LYS 32 -7.003 30.977 -11.843 267 HD2 LYS 32 HD2 LYS 32 -4.894 29.957 -12.654 268 HD3 LYS 32 HD1 LYS 32 -4.168 31.562 -12.746 269 HE2 LYS 32 HE2 LYS 32 -5.281 30.302 -10.222 270 HE3 LYS 32 HE1 LYS 32 -3.570 30.399 -10.635 271 HZ1 LYS 32 HZ1 LYS 32 -5.262 32.390 -9.518 272 HZ2 LYS 32 HZ2 LYS 32 -4.540 32.948 -10.951 273 HZ3 LYS 32 HZ3 LYS 32 -3.572 32.381 -9.673 274 H ASN 33 HN ASN 33 -9.010 30.621 -15.746 275 HA ASN 33 HA ASN 33 -8.262 31.933 -18.135 276 HB2 ASN 33 HB2 ASN 33 -8.902 29.485 -17.862 277 HB3 ASN 33 HB1 ASN 33 -10.582 30.026 -17.852 278 HD21 ASN 33 HD21 ASN 33 -11.114 29.079 -19.912 279 HD22 ASN 33 HD22 ASN 33 -10.451 29.653 -21.366 280 H GLU 34 HN GLU 34 -11.007 32.253 -16.023 281 HA GLU 34 HA GLU 34 -12.849 33.474 -17.746 282 HB2 GLU 34 HB2 GLU 34 -13.367 32.723 -15.432 283 HB3 GLU 34 HB1 GLU 34 -12.414 34.068 -14.807 284 HG2 GLU 34 HG2 GLU 34 -13.895 35.671 -15.930 285 HG3 GLU 34 HG1 GLU 34 -14.828 34.345 -16.622 286 H ARG 35 HN ARG 35 -10.082 34.769 -16.006 287 HA ARG 35 HA ARG 35 -10.590 37.508 -16.337 288 HB2 ARG 35 HB2 ARG 35 -7.969 36.005 -16.138 289 HB3 ARG 35 HB1 ARG 35 -8.108 37.761 -16.073 290 HG2 ARG 35 HG2 ARG 35 -9.538 37.626 -14.106 291 HG3 ARG 35 HG1 ARG 35 -9.549 35.864 -14.200 292 HD2 ARG 35 HD2 ARG 35 -7.927 36.580 -12.519 293 HD3 ARG 35 HD1 ARG 35 -7.085 35.852 -13.885 294 HE ARG 35 HE ARG 35 -7.322 38.684 -14.204 295 HH11 ARG 35 HH11 ARG 35 -5.429 39.910 -13.930 296 HH12 ARG 35 HH12 ARG 35 -4.067 39.219 -13.112 297 HH21 ARG 35 HH21 ARG 35 -5.623 36.175 -12.531 298 HH22 ARG 35 HH22 ARG 35 -4.177 37.105 -12.319 299 H HIS 36 HN HIS 36 -9.539 35.108 -18.580 300 HA HIS 36 HA HIS 36 -8.301 36.851 -20.480 301 HB2 HIS 36 HB2 HIS 36 -7.881 34.410 -20.435 302 HB3 HIS 36 HB1 HIS 36 -9.554 34.130 -20.926 303 HD2 HIS 36 HD2 HIS 36 -9.885 34.108 -23.662 304 HE1 HIS 36 HE1 HIS 36 -6.312 36.099 -24.708 305 HE2 HIS 36 HE2 HIS 36 -8.368 34.923 -25.625 306 H ASP 37 HN ASP 37 -11.518 36.317 -19.569 307 HA ASP 37 HA ASP 37 -12.911 36.618 -21.986 308 HB2 ASP 37 HB2 ASP 37 -13.644 37.397 -19.148 309 HB3 ASP 37 HB1 ASP 37 -14.753 37.539 -20.508 310 H HIS 38 HN HIS 38 -11.532 39.053 -19.766 311 HA HIS 38 HA HIS 38 -12.408 41.191 -21.567 312 HB2 HIS 38 HB2 HIS 38 -11.617 42.610 -19.667 313 HB3 HIS 38 HB1 HIS 38 -12.990 41.598 -19.284 314 HD2 HIS 38 HD2 HIS 38 -12.529 39.835 -17.180 315 HE1 HIS 38 HE1 HIS 38 -8.369 40.456 -16.835 316 HE2 HIS 38 HE2 HIS 38 -10.379 39.306 -15.797 317 H ASP 39 HN ASP 39 -9.655 39.376 -20.544 318 HA ASP 39 HA ASP 39 -7.398 39.551 -20.994 319 HB2 ASP 39 HB2 ASP 39 -8.490 39.219 -23.268 320 HB3 ASP 39 HB1 ASP 39 -8.291 40.954 -23.511 321 H TYR 40 HN TYR 40 -8.377 41.655 -19.357 322 HA TYR 40 HA TYR 40 -6.266 43.543 -19.651 323 HB2 TYR 40 HB2 TYR 40 -7.756 44.442 -21.387 324 HB3 TYR 40 HB1 TYR 40 -9.072 44.533 -20.215 325 HD1 TYR 40 HD1 TYR 40 -5.616 45.761 -20.915 326 HD2 TYR 40 HD2 TYR 40 -9.280 46.394 -18.762 327 HE1 TYR 40 HE1 TYR 40 -4.795 47.979 -20.168 328 HE2 TYR 40 HE2 TYR 40 -8.459 48.610 -18.015 329 HH TYR 40 HH TYR 40 -5.271 49.544 -18.191 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 8.544 -2.785 -1.008 2 H2 GLY 1 HT2 GLY 1 9.236 -4.179 -1.689 3 H3 GLY 1 HT3 GLY 1 9.191 -3.986 -0.001 4 HA2 GLY 1 HA2 GLY 1 7.061 -4.639 0.179 5 HA3 GLY 1 HA1 GLY 1 6.621 -3.874 -1.350 6 H SER 2 HN SER 2 6.512 -6.736 -0.037 7 HA SER 2 HA SER 2 6.968 -8.144 -2.570 8 HB2 SER 2 HB2 SER 2 9.094 -8.450 -1.447 9 HB3 SER 2 HB1 SER 2 8.282 -8.935 0.040 10 HG SER 2 HG SER 2 8.393 -10.865 -0.778 11 H VAL 3 HN VAL 3 5.654 -8.024 0.677 12 HA VAL 3 HA VAL 3 4.261 -10.477 0.664 13 HB VAL 3 HB VAL 3 2.893 -9.465 2.450 14 HG11 VAL 3 HG11 VAL 3 4.738 -8.943 3.983 15 HG12 VAL 3 HG12 VAL 3 5.829 -8.751 2.610 16 HG13 VAL 3 HG13 VAL 3 5.134 -10.332 2.972 17 HG21 VAL 3 HG21 VAL 3 2.603 -7.223 1.528 18 HG22 VAL 3 HG22 VAL 3 4.342 -6.938 1.599 19 HG23 VAL 3 HG23 VAL 3 3.411 -7.090 3.089 20 H LYS 4 HN LYS 4 3.568 -7.368 -0.764 21 HA LYS 4 HA LYS 4 1.888 -6.649 -2.129 22 HB2 LYS 4 HB2 LYS 4 2.649 -8.917 -3.215 23 HB3 LYS 4 HB1 LYS 4 1.106 -9.524 -2.625 24 HG2 LYS 4 HG2 LYS 4 0.475 -8.748 -4.738 25 HG3 LYS 4 HG1 LYS 4 0.147 -7.317 -3.763 26 HD2 LYS 4 HD2 LYS 4 2.375 -6.404 -4.354 27 HD3 LYS 4 HD1 LYS 4 2.696 -7.838 -5.324 28 HE2 LYS 4 HE2 LYS 4 0.764 -7.312 -6.750 29 HE3 LYS 4 HE1 LYS 4 0.432 -5.880 -5.775 30 HZ1 LYS 4 HZ1 LYS 4 3.125 -6.192 -6.866 31 HZ2 LYS 4 HZ2 LYS 4 2.218 -4.780 -6.600 32 HZ3 LYS 4 HZ3 LYS 4 1.889 -5.764 -7.946 33 H LYS 5 HN LYS 5 1.162 -6.493 0.433 34 HA LYS 5 HA LYS 5 -1.656 -6.635 0.272 35 HB2 LYS 5 HB2 LYS 5 -1.939 -8.196 2.260 36 HB3 LYS 5 HB1 LYS 5 -1.468 -8.952 0.746 37 HG2 LYS 5 HG2 LYS 5 0.907 -8.842 1.482 38 HG3 LYS 5 HG1 LYS 5 0.373 -8.214 3.036 39 HD2 LYS 5 HD2 LYS 5 -0.698 -10.816 1.921 40 HD3 LYS 5 HD1 LYS 5 0.790 -10.765 2.861 41 HE2 LYS 5 HE2 LYS 5 -0.497 -9.595 4.692 42 HE3 LYS 5 HE1 LYS 5 -1.967 -9.892 3.771 43 HZ1 LYS 5 HZ1 LYS 5 -0.891 -12.314 3.781 44 HZ2 LYS 5 HZ2 LYS 5 -1.997 -11.766 4.948 45 HZ3 LYS 5 HZ3 LYS 5 -0.330 -11.734 5.272 46 H LEU 6 HN LEU 6 -2.698 -5.545 2.149 47 HA LEU 6 HA LEU 6 -2.789 -4.184 3.886 48 HB2 LEU 6 HB2 LEU 6 -0.885 -5.911 4.729 49 HB3 LEU 6 HB1 LEU 6 0.115 -4.470 4.624 50 HG LEU 6 HG LEU 6 -0.807 -4.600 6.870 51 HD11 LEU 6 HD11 LEU 6 -1.686 -2.409 7.019 52 HD12 LEU 6 HD12 LEU 6 -2.500 -2.522 5.467 53 HD13 LEU 6 HD13 LEU 6 -0.744 -2.363 5.533 54 HD21 LEU 6 HD21 LEU 6 -3.657 -4.260 6.076 55 HD22 LEU 6 HD22 LEU 6 -2.952 -5.249 7.347 56 HD23 LEU 6 HD23 LEU 6 -3.000 -5.853 5.701 57 H ASN 7 HN ASN 7 0.308 -3.935 2.213 58 HA ASN 7 HA ASN 7 0.599 -1.132 2.604 59 HB2 ASN 7 HB2 ASN 7 1.851 -3.058 0.639 60 HB3 ASN 7 HB1 ASN 7 2.281 -1.351 0.726 61 HD21 ASN 7 HD21 ASN 7 4.097 -3.573 1.346 62 HD22 ASN 7 HD22 ASN 7 4.522 -3.416 2.981 63 H ASP 8 HN ASP 8 -1.381 -2.993 0.577 64 HA ASP 8 HA ASP 8 -1.565 -1.332 -1.702 65 HB2 ASP 8 HB2 ASP 8 -2.439 -3.704 -1.458 66 HB3 ASP 8 HB1 ASP 8 -3.798 -3.023 -0.565 67 H GLU 9 HN GLU 9 -3.005 -1.164 1.476 68 HA GLU 9 HA GLU 9 -5.162 0.555 0.914 69 HB2 GLU 9 HB2 GLU 9 -5.246 0.975 3.265 70 HB3 GLU 9 HB1 GLU 9 -4.693 -0.688 3.090 71 HG2 GLU 9 HG2 GLU 9 -2.307 0.287 3.189 72 HG3 GLU 9 HG1 GLU 9 -3.071 1.762 3.763 73 H VAL 10 HN VAL 10 -1.788 1.325 1.846 74 HA VAL 10 HA VAL 10 -2.213 4.126 1.751 75 HB VAL 10 HB VAL 10 0.274 4.172 1.917 76 HG11 VAL 10 HG11 VAL 10 -1.390 3.889 3.896 77 HG12 VAL 10 HG12 VAL 10 0.313 3.559 4.187 78 HG13 VAL 10 HG13 VAL 10 -0.807 2.227 3.931 79 HG21 VAL 10 HG21 VAL 10 0.561 2.006 0.648 80 HG22 VAL 10 HG22 VAL 10 0.053 1.187 2.127 81 HG23 VAL 10 HG23 VAL 10 1.530 2.145 2.114 82 H ALA 11 HN ALA 11 -1.295 1.674 -0.501 83 HA ALA 11 HA ALA 11 -0.007 3.261 -2.449 84 HB1 ALA 11 HB1 ALA 11 -1.729 0.816 -2.942 85 HB2 ALA 11 HB2 ALA 11 -0.035 0.760 -2.439 86 HB3 ALA 11 HB3 ALA 11 -0.470 1.455 -3.999 87 H LEU 12 HN LEU 12 -3.421 2.430 -1.985 88 HA LEU 12 HA LEU 12 -4.275 3.974 -4.260 89 HB2 LEU 12 HB2 LEU 12 -5.631 2.409 -2.078 90 HB3 LEU 12 HB1 LEU 12 -6.592 3.552 -3.006 91 HG LEU 12 HG LEU 12 -6.574 1.201 -3.910 92 HD11 LEU 12 HD11 LEU 12 -6.761 3.519 -5.285 93 HD12 LEU 12 HD12 LEU 12 -6.757 1.962 -6.093 94 HD13 LEU 12 HD13 LEU 12 -5.281 2.907 -6.020 95 HD21 LEU 12 HD21 LEU 12 -4.044 0.965 -3.358 96 HD22 LEU 12 HD22 LEU 12 -3.775 1.800 -4.880 97 HD23 LEU 12 HD23 LEU 12 -4.618 0.257 -4.860 98 H GLU 13 HN GLU 13 -3.953 4.486 -0.840 99 HA GLU 13 HA GLU 13 -5.535 6.787 -0.594 100 HB2 GLU 13 HB2 GLU 13 -4.581 5.531 1.324 101 HB3 GLU 13 HB1 GLU 13 -2.980 6.128 0.887 102 HG2 GLU 13 HG2 GLU 13 -3.700 8.437 1.238 103 HG3 GLU 13 HG1 GLU 13 -5.339 7.891 1.587 104 H ARG 14 HN ARG 14 -2.053 6.483 -1.308 105 HA ARG 14 HA ARG 14 -1.631 9.292 -1.563 106 HB2 ARG 14 HB2 ARG 14 0.557 8.695 -2.403 107 HB3 ARG 14 HB1 ARG 14 0.159 7.618 -1.063 108 HG2 ARG 14 HG2 ARG 14 -0.671 5.967 -2.755 109 HG3 ARG 14 HG1 ARG 14 -0.016 6.999 -4.020 110 HD2 ARG 14 HD2 ARG 14 2.217 6.817 -3.004 111 HD3 ARG 14 HD1 ARG 14 1.561 5.760 -1.758 112 HE ARG 14 HE ARG 14 0.942 4.702 -4.314 113 HH11 ARG 14 HH11 ARG 14 2.168 2.945 -5.070 114 HH12 ARG 14 HH12 ARG 14 3.719 2.614 -4.374 115 HH21 ARG 14 HH21 ARG 14 3.578 5.265 -2.142 116 HH22 ARG 14 HH22 ARG 14 4.517 3.927 -2.717 117 H LEU 15 HN LEU 15 -2.334 6.687 -3.851 118 HA LEU 15 HA LEU 15 -1.969 8.189 -6.213 119 HB2 LEU 15 HB2 LEU 15 -3.638 5.755 -5.584 120 HB3 LEU 15 HB1 LEU 15 -3.542 6.435 -7.196 121 HG LEU 15 HG LEU 15 -1.099 5.664 -5.581 122 HD11 LEU 15 HD11 LEU 15 -1.044 3.574 -6.795 123 HD12 LEU 15 HD12 LEU 15 -2.450 4.043 -7.750 124 HD13 LEU 15 HD13 LEU 15 -2.629 3.703 -6.030 125 HD21 LEU 15 HD21 LEU 15 -0.308 5.492 -8.131 126 HD22 LEU 15 HD22 LEU 15 -0.298 7.023 -7.279 127 HD23 LEU 15 HD23 LEU 15 -1.616 6.645 -8.380 128 H LYS 16 HN LYS 16 -4.744 7.756 -4.100 129 HA LYS 16 HA LYS 16 -6.615 9.118 -5.783 130 HB2 LYS 16 HB2 LYS 16 -6.628 8.436 -2.833 131 HB3 LYS 16 HB1 LYS 16 -7.949 9.258 -3.655 132 HG2 LYS 16 HG2 LYS 16 -8.392 7.409 -5.058 133 HG3 LYS 16 HG1 LYS 16 -6.836 6.659 -4.718 134 HD2 LYS 16 HD2 LYS 16 -8.509 5.445 -3.470 135 HD3 LYS 16 HD1 LYS 16 -7.589 6.403 -2.314 136 HE2 LYS 16 HE2 LYS 16 -10.048 6.544 -1.934 137 HE3 LYS 16 HE1 LYS 16 -9.335 8.112 -2.272 138 HZ1 LYS 16 HZ1 LYS 16 -11.425 6.960 -3.602 139 HZ2 LYS 16 HZ2 LYS 16 -10.110 6.752 -4.658 140 HZ3 LYS 16 HZ3 LYS 16 -10.532 8.306 -4.119 141 H ASN 17 HN ASN 17 -4.448 10.103 -3.159 142 HA ASN 17 HA ASN 17 -5.462 12.710 -2.802 143 HB2 ASN 17 HB2 ASN 17 -2.743 11.487 -2.321 144 HB3 ASN 17 HB1 ASN 17 -3.129 13.154 -1.896 145 HD21 ASN 17 HD21 ASN 17 -2.461 11.168 0.090 146 HD22 ASN 17 HD22 ASN 17 -3.842 10.907 1.042 147 H GLU 18 HN GLU 18 -2.988 11.369 -4.947 148 HA GLU 18 HA GLU 18 -2.070 13.844 -6.000 149 HB2 GLU 18 HB2 GLU 18 -2.058 11.042 -7.150 150 HB3 GLU 18 HB1 GLU 18 -1.278 12.418 -7.928 151 HG2 GLU 18 HG2 GLU 18 0.145 12.775 -5.990 152 HG3 GLU 18 HG1 GLU 18 -0.694 11.508 -5.097 153 H ARG 19 HN ARG 19 -4.598 11.603 -7.018 154 HA ARG 19 HA ARG 19 -5.300 12.906 -9.427 155 HB2 ARG 19 HB2 ARG 19 -6.035 10.610 -8.868 156 HB3 ARG 19 HB1 ARG 19 -7.079 11.266 -7.601 157 HG2 ARG 19 HG2 ARG 19 -8.396 12.476 -9.218 158 HG3 ARG 19 HG1 ARG 19 -7.273 12.064 -10.515 159 HD2 ARG 19 HD2 ARG 19 -8.838 10.026 -8.911 160 HD3 ARG 19 HD1 ARG 19 -9.333 10.632 -10.489 161 HE ARG 19 HE ARG 19 -6.736 9.724 -10.818 162 HH11 ARG 19 HH11 ARG 19 -6.308 7.618 -11.553 163 HH12 ARG 19 HH12 ARG 19 -7.497 6.375 -11.342 164 HH21 ARG 19 HH21 ARG 19 -9.787 8.462 -9.785 165 HH22 ARG 19 HH22 ARG 19 -9.467 6.855 -10.342 166 H HIS 20 HN HIS 20 -6.448 13.285 -6.105 167 HA HIS 20 HA HIS 20 -8.542 15.081 -6.601 168 HB2 HIS 20 HB2 HIS 20 -8.152 13.942 -4.429 169 HB3 HIS 20 HB1 HIS 20 -6.739 14.966 -4.172 170 HD2 HIS 20 HD2 HIS 20 -9.576 16.989 -5.762 171 HE1 HIS 20 HE1 HIS 20 -9.844 17.671 -1.607 172 HE2 HIS 20 HE2 HIS 20 -10.670 18.429 -3.885 173 H VAL 21 HN VAL 21 -5.096 15.696 -5.885 174 HA VAL 21 HA VAL 21 -5.250 18.492 -5.879 175 HB VAL 21 HB VAL 21 -2.978 16.576 -6.443 176 HG11 VAL 21 HG11 VAL 21 -1.581 18.690 -5.972 177 HG12 VAL 21 HG12 VAL 21 -3.055 19.586 -6.335 178 HG13 VAL 21 HG13 VAL 21 -2.331 18.548 -7.558 179 HG21 VAL 21 HG21 VAL 21 -3.801 18.271 -4.060 180 HG22 VAL 21 HG22 VAL 21 -2.255 17.436 -4.177 181 HG23 VAL 21 HG23 VAL 21 -3.750 16.512 -4.139 182 H HIS 22 HN HIS 22 -4.518 16.173 -8.455 183 HA HIS 22 HA HIS 22 -3.936 18.036 -10.472 184 HB2 HIS 22 HB2 HIS 22 -3.406 15.669 -10.718 185 HB3 HIS 22 HB1 HIS 22 -5.110 15.250 -10.718 186 HD2 HIS 22 HD2 HIS 22 -6.298 15.353 -13.215 187 HE1 HIS 22 HE1 HIS 22 -3.249 17.488 -15.208 188 HE2 HIS 22 HE2 HIS 22 -5.460 16.276 -15.510 189 H ASP 23 HN ASP 23 -6.999 16.627 -9.400 190 HA ASP 23 HA ASP 23 -8.627 17.597 -11.469 191 HB2 ASP 23 HB2 ASP 23 -9.235 16.900 -8.595 192 HB3 ASP 23 HB1 ASP 23 -10.470 17.347 -9.766 193 H GLU 24 HN GLU 24 -7.628 18.994 -8.413 194 HA GLU 24 HA GLU 24 -9.253 21.357 -8.671 195 HB2 GLU 24 HB2 GLU 24 -7.001 20.617 -6.810 196 HB3 GLU 24 HB1 GLU 24 -7.746 22.211 -6.789 197 HG2 GLU 24 HG2 GLU 24 -9.894 21.297 -6.256 198 HG3 GLU 24 HG1 GLU 24 -9.360 19.651 -6.541 199 H GLU 25 HN GLU 25 -6.070 20.405 -9.620 200 HA GLU 25 HA GLU 25 -5.004 23.018 -10.067 201 HB2 GLU 25 HB2 GLU 25 -4.299 20.265 -11.086 202 HB3 GLU 25 HB1 GLU 25 -3.487 21.684 -11.744 203 HG2 GLU 25 HG2 GLU 25 -3.638 21.074 -8.774 204 HG3 GLU 25 HG1 GLU 25 -2.300 20.587 -9.807 205 H VAL 26 HN VAL 26 -6.767 20.819 -12.185 206 HA VAL 26 HA VAL 26 -6.576 22.449 -14.470 207 HB VAL 26 HB VAL 26 -8.228 20.869 -15.379 208 HG11 VAL 26 HG11 VAL 26 -6.758 19.013 -15.501 209 HG12 VAL 26 HG12 VAL 26 -6.113 19.331 -13.897 210 HG13 VAL 26 HG13 VAL 26 -5.713 20.407 -15.232 211 HG21 VAL 26 HG21 VAL 26 -8.092 19.372 -12.784 212 HG22 VAL 26 HG22 VAL 26 -9.185 19.118 -14.115 213 HG23 VAL 26 HG23 VAL 26 -9.373 20.520 -13.098 214 H GLU 27 HN GLU 27 -8.787 22.119 -11.811 215 HA GLU 27 HA GLU 27 -10.954 23.558 -13.033 216 HB2 GLU 27 HB2 GLU 27 -10.307 22.680 -10.247 217 HB3 GLU 27 HB1 GLU 27 -11.613 23.829 -10.490 218 HG2 GLU 27 HG2 GLU 27 -11.451 21.175 -11.970 219 HG3 GLU 27 HG1 GLU 27 -12.336 21.400 -10.465 220 H LEU 28 HN LEU 28 -8.260 24.413 -10.964 221 HA LEU 28 HA LEU 28 -9.035 27.122 -10.595 222 HB2 LEU 28 HB2 LEU 28 -6.479 25.582 -10.210 223 HB3 LEU 28 HB1 LEU 28 -6.462 27.338 -10.065 224 HG LEU 28 HG LEU 28 -8.542 25.736 -8.549 225 HD11 LEU 28 HD11 LEU 28 -5.639 26.166 -7.810 226 HD12 LEU 28 HD12 LEU 28 -6.519 24.639 -7.893 227 HD13 LEU 28 HD13 LEU 28 -6.893 25.804 -6.623 228 HD21 LEU 28 HD21 LEU 28 -8.720 28.209 -8.643 229 HD22 LEU 28 HD22 LEU 28 -7.074 28.349 -8.047 230 HD23 LEU 28 HD23 LEU 28 -8.329 27.670 -7.017 231 H GLU 29 HN GLU 29 -7.070 25.459 -12.975 232 HA GLU 29 HA GLU 29 -5.996 27.759 -14.217 233 HB2 GLU 29 HB2 GLU 29 -5.131 25.482 -14.632 234 HB3 GLU 29 HB1 GLU 29 -6.639 25.067 -15.455 235 HG2 GLU 29 HG2 GLU 29 -6.235 26.769 -17.146 236 HG3 GLU 29 HG1 GLU 29 -4.793 27.318 -16.292 237 H ARG 30 HN ARG 30 -8.951 25.897 -14.776 238 HA ARG 30 HA ARG 30 -9.862 27.290 -17.050 239 HB2 ARG 30 HB2 ARG 30 -10.795 25.128 -16.289 240 HB3 ARG 30 HB1 ARG 30 -11.491 25.937 -14.884 241 HG2 ARG 30 HG2 ARG 30 -12.867 27.345 -16.319 242 HG3 ARG 30 HG1 ARG 30 -12.103 26.673 -17.760 243 HD2 ARG 30 HD2 ARG 30 -14.258 25.584 -17.397 244 HD3 ARG 30 HD1 ARG 30 -12.957 24.425 -17.136 245 HE ARG 30 HE ARG 30 -13.651 25.665 -14.678 246 HH11 ARG 30 HH11 ARG 30 -14.884 24.463 -13.197 247 HH12 ARG 30 HH12 ARG 30 -15.786 23.089 -13.743 248 HH21 ARG 30 HH21 ARG 30 -14.788 23.415 -17.048 249 HH22 ARG 30 HH22 ARG 30 -15.732 22.496 -15.924 250 H LEU 31 HN LEU 31 -10.375 27.819 -13.584 251 HA LEU 31 HA LEU 31 -12.204 29.932 -13.800 252 HB2 LEU 31 HB2 LEU 31 -11.801 28.770 -11.678 253 HB3 LEU 31 HB1 LEU 31 -10.145 29.375 -11.640 254 HG LEU 31 HG LEU 31 -11.009 31.706 -11.548 255 HD11 LEU 31 HD11 LEU 31 -13.586 31.765 -10.943 256 HD12 LEU 31 HD12 LEU 31 -13.633 30.252 -11.846 257 HD13 LEU 31 HD13 LEU 31 -13.078 31.734 -12.627 258 HD21 LEU 31 HD21 LEU 31 -10.562 30.533 -9.448 259 HD22 LEU 31 HD22 LEU 31 -12.188 29.849 -9.469 260 HD23 LEU 31 HD23 LEU 31 -11.965 31.588 -9.278 261 H LYS 32 HN LYS 32 -8.669 29.910 -13.585 262 HA LYS 32 HA LYS 32 -8.275 32.696 -13.552 263 HB2 LYS 32 HB2 LYS 32 -6.504 31.040 -13.007 264 HB3 LYS 32 HB1 LYS 32 -6.429 30.577 -14.700 265 HG2 LYS 32 HG2 LYS 32 -5.806 32.853 -15.340 266 HG3 LYS 32 HG1 LYS 32 -5.942 33.367 -13.661 267 HD2 LYS 32 HD2 LYS 32 -4.160 31.774 -13.031 268 HD3 LYS 32 HD1 LYS 32 -4.006 31.293 -14.721 269 HE2 LYS 32 HE2 LYS 32 -3.596 34.112 -13.676 270 HE3 LYS 32 HE1 LYS 32 -2.300 32.982 -14.070 271 HZ1 LYS 32 HZ1 LYS 32 -2.565 33.319 -16.247 272 HZ2 LYS 32 HZ2 LYS 32 -3.404 34.726 -15.798 273 HZ3 LYS 32 HZ3 LYS 32 -4.258 33.303 -16.158 274 H ASN 33 HN ASN 33 -8.670 30.398 -16.193 275 HA ASN 33 HA ASN 33 -8.055 32.252 -18.272 276 HB2 ASN 33 HB2 ASN 33 -7.963 29.722 -18.445 277 HB3 ASN 33 HB1 ASN 33 -9.725 29.758 -18.556 278 HD21 ASN 33 HD21 ASN 33 -9.910 29.156 -20.775 279 HD22 ASN 33 HD22 ASN 33 -9.301 30.108 -22.041 280 H GLU 34 HN GLU 34 -10.990 31.252 -16.620 281 HA GLU 34 HA GLU 34 -12.867 32.359 -18.389 282 HB2 GLU 34 HB2 GLU 34 -13.448 30.806 -16.554 283 HB3 GLU 34 HB1 GLU 34 -13.076 32.069 -15.383 284 HG2 GLU 34 HG2 GLU 34 -14.837 33.495 -16.303 285 HG3 GLU 34 HG1 GLU 34 -15.168 32.308 -17.563 286 H ARG 35 HN ARG 35 -11.374 33.756 -15.473 287 HA ARG 35 HA ARG 35 -12.674 36.277 -15.740 288 HB2 ARG 35 HB2 ARG 35 -11.114 37.032 -14.018 289 HB3 ARG 35 HB1 ARG 35 -11.776 35.451 -13.596 290 HG2 ARG 35 HG2 ARG 35 -9.758 34.376 -14.513 291 HG3 ARG 35 HG1 ARG 35 -9.076 35.956 -14.886 292 HD2 ARG 35 HD2 ARG 35 -9.294 36.535 -12.452 293 HD3 ARG 35 HD1 ARG 35 -9.754 34.861 -12.156 294 HE ARG 35 HE ARG 35 -7.348 34.820 -13.582 295 HH11 ARG 35 HH11 ARG 35 -5.377 34.565 -12.473 296 HH12 ARG 35 HH12 ARG 35 -5.285 34.945 -10.789 297 HH21 ARG 35 HH21 ARG 35 -8.606 35.911 -10.551 298 HH22 ARG 35 HH22 ARG 35 -7.111 35.710 -9.700 299 H HIS 36 HN HIS 36 -9.649 34.970 -16.884 300 HA HIS 36 HA HIS 36 -8.534 37.450 -17.754 301 HB2 HIS 36 HB2 HIS 36 -7.912 34.553 -18.326 302 HB3 HIS 36 HB1 HIS 36 -7.125 35.819 -19.253 303 HD2 HIS 36 HD2 HIS 36 -4.852 36.702 -18.023 304 HE1 HIS 36 HE1 HIS 36 -5.825 35.659 -14.060 305 HE2 HIS 36 HE2 HIS 36 -4.031 36.641 -15.548 306 H ASP 37 HN ASP 37 -10.546 34.984 -19.299 307 HA ASP 37 HA ASP 37 -10.484 36.412 -21.846 308 HB2 ASP 37 HB2 ASP 37 -11.841 34.546 -22.650 309 HB3 ASP 37 HB1 ASP 37 -10.412 33.947 -21.812 310 H HIS 38 HN HIS 38 -12.122 36.691 -18.973 311 HA HIS 38 HA HIS 38 -14.574 37.745 -20.300 312 HB2 HIS 38 HB2 HIS 38 -14.949 35.837 -18.750 313 HB3 HIS 38 HB1 HIS 38 -14.259 36.802 -17.443 314 HD2 HIS 38 HD2 HIS 38 -16.122 38.415 -16.190 315 HE1 HIS 38 HE1 HIS 38 -19.092 38.329 -19.189 316 HE2 HIS 38 HE2 HIS 38 -18.537 39.154 -16.853 317 H ASP 39 HN ASP 39 -11.821 38.936 -19.563 318 HA ASP 39 HA ASP 39 -12.210 40.862 -17.531 319 HB2 ASP 39 HB2 ASP 39 -9.981 40.252 -18.460 320 HB3 ASP 39 HB1 ASP 39 -10.393 41.098 -19.948 321 H TYR 40 HN TYR 40 -12.944 40.851 -20.970 322 HA TYR 40 HA TYR 40 -13.650 43.639 -21.073 323 HB2 TYR 40 HB2 TYR 40 -12.851 42.312 -23.055 324 HB3 TYR 40 HB1 TYR 40 -14.391 41.446 -23.026 325 HD1 TYR 40 HD1 TYR 40 -12.829 44.797 -23.407 326 HD2 TYR 40 HD2 TYR 40 -16.393 42.440 -23.860 327 HE1 TYR 40 HE1 TYR 40 -13.891 46.645 -24.676 328 HE2 TYR 40 HE2 TYR 40 -17.454 44.290 -25.128 329 HH TYR 40 HH TYR 40 -16.508 47.332 -25.076 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 0.098 -14.684 7.787 2 H2 GLY 1 HT2 GLY 1 -1.131 -15.418 8.702 3 H3 GLY 1 HT3 GLY 1 0.171 -14.654 9.481 4 HA2 GLY 1 HA2 GLY 1 -1.764 -13.250 9.601 5 HA3 GLY 1 HA1 GLY 1 -0.536 -12.512 8.571 6 H SER 2 HN SER 2 -3.116 -14.954 8.208 7 HA SER 2 HA SER 2 -3.609 -14.372 5.478 8 HB2 SER 2 HB2 SER 2 -5.602 -15.751 5.745 9 HB3 SER 2 HB1 SER 2 -4.235 -16.508 6.555 10 HG SER 2 HG SER 2 -6.366 -15.023 7.689 11 H VAL 3 HN VAL 3 -4.528 -12.803 8.380 12 HA VAL 3 HA VAL 3 -6.987 -11.663 7.694 13 HB VAL 3 HB VAL 3 -5.889 -11.545 9.943 14 HG11 VAL 3 HG11 VAL 3 -4.157 -9.965 10.370 15 HG12 VAL 3 HG12 VAL 3 -4.350 -9.213 8.788 16 HG13 VAL 3 HG13 VAL 3 -3.649 -10.826 8.918 17 HG21 VAL 3 HG21 VAL 3 -7.816 -10.107 9.337 18 HG22 VAL 3 HG22 VAL 3 -6.701 -8.887 8.722 19 HG23 VAL 3 HG23 VAL 3 -6.717 -9.280 10.442 20 H LYS 4 HN LYS 4 -3.752 -10.914 6.625 21 HA LYS 4 HA LYS 4 -4.833 -9.032 4.664 22 HB2 LYS 4 HB2 LYS 4 -3.249 -7.271 5.231 23 HB3 LYS 4 HB1 LYS 4 -4.247 -7.640 6.638 24 HG2 LYS 4 HG2 LYS 4 -2.423 -9.156 7.463 25 HG3 LYS 4 HG1 LYS 4 -1.418 -8.604 6.124 26 HD2 LYS 4 HD2 LYS 4 -1.594 -6.287 6.920 27 HD3 LYS 4 HD1 LYS 4 -2.623 -6.815 8.252 28 HE2 LYS 4 HE2 LYS 4 -0.352 -6.593 9.083 29 HE3 LYS 4 HE1 LYS 4 -0.760 -8.308 9.021 30 HZ1 LYS 4 HZ1 LYS 4 0.948 -8.628 7.678 31 HZ2 LYS 4 HZ2 LYS 4 1.331 -6.973 7.724 32 HZ3 LYS 4 HZ3 LYS 4 0.275 -7.571 6.535 33 H LYS 5 HN LYS 5 -3.313 -8.558 2.956 34 HA LYS 5 HA LYS 5 -0.804 -9.972 2.848 35 HB2 LYS 5 HB2 LYS 5 -2.423 -11.798 2.376 36 HB3 LYS 5 HB1 LYS 5 -3.033 -10.871 1.006 37 HG2 LYS 5 HG2 LYS 5 -0.807 -10.897 -0.031 38 HG3 LYS 5 HG1 LYS 5 -0.164 -11.786 1.351 39 HD2 LYS 5 HD2 LYS 5 -1.721 -13.642 0.884 40 HD3 LYS 5 HD1 LYS 5 -2.356 -12.756 -0.504 41 HE2 LYS 5 HE2 LYS 5 -0.136 -12.773 -1.555 42 HE3 LYS 5 HE1 LYS 5 0.528 -13.626 -0.161 43 HZ1 LYS 5 HZ1 LYS 5 -1.766 -14.967 -1.109 44 HZ2 LYS 5 HZ2 LYS 5 -0.170 -15.537 -0.990 45 HZ3 LYS 5 HZ3 LYS 5 -0.684 -14.729 -2.394 46 H LEU 6 HN LEU 6 -3.250 -7.927 1.470 47 HA LEU 6 HA LEU 6 -1.399 -7.005 -0.647 48 HB2 LEU 6 HB2 LEU 6 -4.335 -6.363 -0.297 49 HB3 LEU 6 HB1 LEU 6 -3.333 -6.042 -1.714 50 HG LEU 6 HG LEU 6 -4.008 -8.787 -0.612 51 HD11 LEU 6 HD11 LEU 6 -4.907 -7.396 -3.154 52 HD12 LEU 6 HD12 LEU 6 -5.903 -7.632 -1.718 53 HD13 LEU 6 HD13 LEU 6 -5.353 -9.026 -2.647 54 HD21 LEU 6 HD21 LEU 6 -1.899 -9.046 -1.628 55 HD22 LEU 6 HD22 LEU 6 -2.233 -7.829 -2.860 56 HD23 LEU 6 HD23 LEU 6 -3.004 -9.411 -2.950 57 H ASN 7 HN ASN 7 -0.235 -6.048 1.315 58 HA ASN 7 HA ASN 7 -1.355 -3.803 2.653 59 HB2 ASN 7 HB2 ASN 7 1.502 -4.685 2.213 60 HB3 ASN 7 HB1 ASN 7 1.056 -3.291 3.196 61 HD21 ASN 7 HD21 ASN 7 -0.761 -3.880 4.914 62 HD22 ASN 7 HD22 ASN 7 -0.541 -5.354 5.725 63 H ASP 8 HN ASP 8 0.028 -4.280 -0.457 64 HA ASP 8 HA ASP 8 0.960 -1.674 -1.017 65 HB2 ASP 8 HB2 ASP 8 0.753 -2.336 -3.382 66 HB3 ASP 8 HB1 ASP 8 1.530 -3.593 -2.421 67 H GLU 9 HN GLU 9 -2.174 -2.851 -0.533 68 HA GLU 9 HA GLU 9 -3.715 -1.306 -2.297 69 HB2 GLU 9 HB2 GLU 9 -5.547 -1.664 -0.718 70 HB3 GLU 9 HB1 GLU 9 -4.617 -3.144 -0.910 71 HG2 GLU 9 HG2 GLU 9 -4.861 -3.001 1.419 72 HG3 GLU 9 HG1 GLU 9 -3.266 -2.307 1.156 73 H VAL 10 HN VAL 10 -2.200 -0.519 0.775 74 HA VAL 10 HA VAL 10 -3.544 1.963 1.184 75 HB VAL 10 HB VAL 10 -2.244 0.608 2.919 76 HG11 VAL 10 HG11 VAL 10 0.101 0.760 3.032 77 HG12 VAL 10 HG12 VAL 10 0.163 2.140 1.935 78 HG13 VAL 10 HG13 VAL 10 -0.188 0.534 1.309 79 HG21 VAL 10 HG21 VAL 10 -1.755 3.579 2.563 80 HG22 VAL 10 HG22 VAL 10 -1.415 2.700 4.054 81 HG23 VAL 10 HG23 VAL 10 -3.070 2.815 3.456 82 H ALA 11 HN ALA 11 -0.579 0.994 -0.435 83 HA ALA 11 HA ALA 11 0.458 3.581 -0.922 84 HB1 ALA 11 HB1 ALA 11 1.834 1.568 -1.212 85 HB2 ALA 11 HB2 ALA 11 1.799 2.514 -2.698 86 HB3 ALA 11 HB3 ALA 11 0.820 1.055 -2.565 87 H LEU 12 HN LEU 12 -1.719 1.515 -2.788 88 HA LEU 12 HA LEU 12 -1.892 3.201 -5.047 89 HB2 LEU 12 HB2 LEU 12 -2.615 0.858 -5.136 90 HB3 LEU 12 HB1 LEU 12 -3.921 1.196 -4.012 91 HG LEU 12 HG LEU 12 -4.884 2.817 -5.634 92 HD11 LEU 12 HD11 LEU 12 -3.875 2.467 -8.054 93 HD12 LEU 12 HD12 LEU 12 -2.413 2.045 -7.165 94 HD13 LEU 12 HD13 LEU 12 -3.146 3.635 -6.955 95 HD21 LEU 12 HD21 LEU 12 -5.745 0.571 -5.686 96 HD22 LEU 12 HD22 LEU 12 -4.355 -0.005 -6.603 97 HD23 LEU 12 HD23 LEU 12 -5.526 1.075 -7.361 98 H GLU 13 HN GLU 13 -3.740 3.059 -2.031 99 HA GLU 13 HA GLU 13 -5.752 4.883 -2.767 100 HB2 GLU 13 HB2 GLU 13 -5.848 3.393 -0.789 101 HB3 GLU 13 HB1 GLU 13 -4.592 4.360 -0.022 102 HG2 GLU 13 HG2 GLU 13 -6.771 5.082 0.791 103 HG3 GLU 13 HG1 GLU 13 -6.077 6.361 -0.198 104 H ARG 14 HN ARG 14 -2.563 5.347 -1.300 105 HA ARG 14 HA ARG 14 -2.796 8.076 -0.706 106 HB2 ARG 14 HB2 ARG 14 -0.943 6.635 0.079 107 HB3 ARG 14 HB1 ARG 14 -0.318 6.560 -1.568 108 HG2 ARG 14 HG2 ARG 14 0.040 8.964 -1.597 109 HG3 ARG 14 HG1 ARG 14 -0.725 9.130 -0.016 110 HD2 ARG 14 HD2 ARG 14 1.040 7.752 0.998 111 HD3 ARG 14 HD1 ARG 14 1.798 7.549 -0.579 112 HE ARG 14 HE ARG 14 1.585 10.291 -0.161 113 HH11 ARG 14 HH11 ARG 14 3.334 11.470 0.676 114 HH12 ARG 14 HH12 ARG 14 4.553 10.660 1.601 115 HH21 ARG 14 HH21 ARG 14 3.064 7.541 1.329 116 HH22 ARG 14 HH22 ARG 14 4.400 8.435 1.971 117 H LEU 15 HN LEU 15 -1.579 6.459 -3.637 118 HA LEU 15 HA LEU 15 -1.021 8.878 -5.044 119 HB2 LEU 15 HB2 LEU 15 -1.248 5.978 -5.761 120 HB3 LEU 15 HB1 LEU 15 -1.269 7.155 -7.070 121 HG LEU 15 HG LEU 15 1.024 6.284 -6.491 122 HD11 LEU 15 HD11 LEU 15 0.318 8.807 -7.274 123 HD12 LEU 15 HD12 LEU 15 1.979 8.270 -7.097 124 HD13 LEU 15 HD13 LEU 15 1.208 9.176 -5.799 125 HD21 LEU 15 HD21 LEU 15 0.860 7.990 -4.005 126 HD22 LEU 15 HD22 LEU 15 2.030 6.738 -4.408 127 HD23 LEU 15 HD23 LEU 15 0.388 6.294 -3.962 128 H LYS 16 HN LYS 16 -3.862 6.837 -4.752 129 HA LYS 16 HA LYS 16 -5.352 7.952 -6.877 130 HB2 LYS 16 HB2 LYS 16 -5.996 5.858 -5.748 131 HB3 LYS 16 HB1 LYS 16 -6.382 6.747 -4.281 132 HG2 LYS 16 HG2 LYS 16 -8.087 8.034 -5.496 133 HG3 LYS 16 HG1 LYS 16 -7.686 7.158 -6.975 134 HD2 LYS 16 HD2 LYS 16 -8.288 5.030 -5.863 135 HD3 LYS 16 HD1 LYS 16 -8.731 5.928 -4.409 136 HE2 LYS 16 HE2 LYS 16 -9.979 6.332 -7.141 137 HE3 LYS 16 HE1 LYS 16 -10.707 5.409 -5.826 138 HZ1 LYS 16 HZ1 LYS 16 -11.472 7.753 -5.994 139 HZ2 LYS 16 HZ2 LYS 16 -9.900 8.254 -5.592 140 HZ3 LYS 16 HZ3 LYS 16 -10.816 7.348 -4.484 141 H ASN 17 HN ASN 17 -5.069 8.908 -3.458 142 HA ASN 17 HA ASN 17 -7.003 10.978 -3.588 143 HB2 ASN 17 HB2 ASN 17 -4.687 10.436 -1.729 144 HB3 ASN 17 HB1 ASN 17 -5.802 11.784 -1.505 145 HD21 ASN 17 HD21 ASN 17 -5.580 9.584 0.379 146 HD22 ASN 17 HD22 ASN 17 -7.060 8.753 0.366 147 H GLU 18 HN GLU 18 -3.528 10.852 -4.138 148 HA GLU 18 HA GLU 18 -3.076 13.637 -4.306 149 HB2 GLU 18 HB2 GLU 18 -1.246 11.982 -4.093 150 HB3 GLU 18 HB1 GLU 18 -1.576 11.425 -5.736 151 HG2 GLU 18 HG2 GLU 18 -1.063 13.646 -6.625 152 HG3 GLU 18 HG1 GLU 18 -0.819 14.263 -4.991 153 H ARG 19 HN ARG 19 -3.955 11.242 -6.768 154 HA ARG 19 HA ARG 19 -3.789 12.965 -9.002 155 HB2 ARG 19 HB2 ARG 19 -5.491 10.515 -8.487 156 HB3 ARG 19 HB1 ARG 19 -5.442 11.345 -10.037 157 HG2 ARG 19 HG2 ARG 19 -2.995 10.256 -8.612 158 HG3 ARG 19 HG1 ARG 19 -3.858 9.393 -9.882 159 HD2 ARG 19 HD2 ARG 19 -2.274 10.432 -11.196 160 HD3 ARG 19 HD1 ARG 19 -3.449 11.738 -11.168 161 HE ARG 19 HE ARG 19 -1.573 11.847 -8.977 162 HH11 ARG 19 HH11 ARG 19 -0.097 13.572 -9.032 163 HH12 ARG 19 HH12 ARG 19 0.123 14.470 -10.496 164 HH21 ARG 19 HH21 ARG 19 -2.192 12.612 -12.289 165 HH22 ARG 19 HH22 ARG 19 -1.066 13.926 -12.343 166 H HIS 20 HN HIS 20 -6.399 12.243 -6.741 167 HA HIS 20 HA HIS 20 -8.401 13.771 -8.024 168 HB2 HIS 20 HB2 HIS 20 -7.979 12.842 -5.181 169 HB3 HIS 20 HB1 HIS 20 -9.379 13.814 -5.639 170 HD2 HIS 20 HD2 HIS 20 -11.429 12.357 -6.810 171 HE1 HIS 20 HE1 HIS 20 -9.296 8.774 -7.452 172 HE2 HIS 20 HE2 HIS 20 -11.579 9.871 -7.593 173 H VAL 21 HN VAL 21 -5.959 14.580 -5.580 174 HA VAL 21 HA VAL 21 -6.862 17.222 -5.119 175 HB VAL 21 HB VAL 21 -4.234 15.810 -4.636 176 HG11 VAL 21 HG11 VAL 21 -3.656 18.096 -4.829 177 HG12 VAL 21 HG12 VAL 21 -3.850 17.821 -3.101 178 HG13 VAL 21 HG13 VAL 21 -5.127 18.620 -4.018 179 HG21 VAL 21 HG21 VAL 21 -4.967 15.706 -2.354 180 HG22 VAL 21 HG22 VAL 21 -6.342 15.177 -3.319 181 HG23 VAL 21 HG23 VAL 21 -6.305 16.810 -2.663 182 H HIS 22 HN HIS 22 -4.365 15.809 -7.197 183 HA HIS 22 HA HIS 22 -3.315 18.212 -8.210 184 HB2 HIS 22 HB2 HIS 22 -2.192 16.024 -8.452 185 HB3 HIS 22 HB1 HIS 22 -3.446 15.512 -9.581 186 HD2 HIS 22 HD2 HIS 22 -3.012 16.329 -12.199 187 HE1 HIS 22 HE1 HIS 22 0.091 19.083 -11.419 188 HE2 HIS 22 HE2 HIS 22 -1.240 17.932 -13.250 189 H ASP 23 HN ASP 23 -6.164 16.389 -9.013 190 HA ASP 23 HA ASP 23 -6.719 17.343 -11.578 191 HB2 ASP 23 HB2 ASP 23 -7.998 15.544 -10.382 192 HB3 ASP 23 HB1 ASP 23 -8.770 16.805 -9.416 193 H GLU 24 HN GLU 24 -7.107 18.854 -8.449 194 HA GLU 24 HA GLU 24 -8.860 20.930 -9.016 195 HB2 GLU 24 HB2 GLU 24 -7.904 20.456 -6.757 196 HB3 GLU 24 HB1 GLU 24 -6.374 21.155 -7.294 197 HG2 GLU 24 HG2 GLU 24 -7.499 23.294 -7.748 198 HG3 GLU 24 HG1 GLU 24 -9.039 22.598 -7.245 199 H GLU 25 HN GLU 25 -5.621 20.431 -10.132 200 HA GLU 25 HA GLU 25 -4.849 23.067 -10.755 201 HB2 GLU 25 HB2 GLU 25 -3.325 21.118 -10.888 202 HB3 GLU 25 HB1 GLU 25 -4.197 20.528 -12.295 203 HG2 GLU 25 HG2 GLU 25 -3.642 22.573 -13.530 204 HG3 GLU 25 HG1 GLU 25 -2.812 23.213 -12.112 205 H VAL 26 HN VAL 26 -6.855 20.769 -12.561 206 HA VAL 26 HA VAL 26 -7.054 22.263 -14.947 207 HB VAL 26 HB VAL 26 -7.787 19.797 -14.438 208 HG11 VAL 26 HG11 VAL 26 -10.495 21.092 -14.080 209 HG12 VAL 26 HG12 VAL 26 -9.522 20.656 -12.685 210 HG13 VAL 26 HG13 VAL 26 -10.038 19.414 -13.815 211 HG21 VAL 26 HG21 VAL 26 -9.266 21.731 -16.226 212 HG22 VAL 26 HG22 VAL 26 -9.543 19.990 -16.280 213 HG23 VAL 26 HG23 VAL 26 -7.947 20.641 -16.655 214 H GLU 27 HN GLU 27 -8.815 22.356 -11.914 215 HA GLU 27 HA GLU 27 -10.954 23.999 -12.781 216 HB2 GLU 27 HB2 GLU 27 -10.984 22.690 -10.673 217 HB3 GLU 27 HB1 GLU 27 -9.762 23.769 -10.002 218 HG2 GLU 27 HG2 GLU 27 -11.980 24.465 -9.243 219 HG3 GLU 27 HG1 GLU 27 -11.325 25.688 -10.326 220 H LEU 28 HN LEU 28 -7.798 24.707 -11.409 221 HA LEU 28 HA LEU 28 -8.176 27.500 -11.143 222 HB2 LEU 28 HB2 LEU 28 -5.764 25.705 -11.238 223 HB3 LEU 28 HB1 LEU 28 -5.549 27.453 -11.287 224 HG LEU 28 HG LEU 28 -7.319 26.248 -9.155 225 HD11 LEU 28 HD11 LEU 28 -5.246 24.945 -9.016 226 HD12 LEU 28 HD12 LEU 28 -5.305 26.102 -7.685 227 HD13 LEU 28 HD13 LEU 28 -4.287 26.424 -9.090 228 HD21 LEU 28 HD21 LEU 28 -6.798 28.245 -7.980 229 HD22 LEU 28 HD22 LEU 28 -7.001 28.774 -9.645 230 HD23 LEU 28 HD23 LEU 28 -5.386 28.569 -8.981 231 H GLU 29 HN GLU 29 -7.002 25.480 -13.780 232 HA GLU 29 HA GLU 29 -6.066 27.552 -15.443 233 HB2 GLU 29 HB2 GLU 29 -5.595 25.151 -15.814 234 HB3 GLU 29 HB1 GLU 29 -7.281 24.895 -16.251 235 HG2 GLU 29 HG2 GLU 29 -5.592 26.959 -17.665 236 HG3 GLU 29 HG1 GLU 29 -5.560 25.269 -18.153 237 H ARG 30 HN ARG 30 -9.241 25.965 -15.255 238 HA ARG 30 HA ARG 30 -10.443 27.491 -17.315 239 HB2 ARG 30 HB2 ARG 30 -11.373 25.358 -16.502 240 HB3 ARG 30 HB1 ARG 30 -11.756 26.120 -14.958 241 HG2 ARG 30 HG2 ARG 30 -13.286 27.662 -16.024 242 HG3 ARG 30 HG1 ARG 30 -12.797 27.107 -17.627 243 HD2 ARG 30 HD2 ARG 30 -13.680 24.867 -17.138 244 HD3 ARG 30 HD1 ARG 30 -14.139 25.391 -15.519 245 HE ARG 30 HE ARG 30 -15.976 26.487 -16.442 246 HH11 ARG 30 HH11 ARG 30 -17.354 26.997 -18.177 247 HH12 ARG 30 HH12 ARG 30 -16.811 26.760 -19.805 248 HH21 ARG 30 HH21 ARG 30 -13.697 25.557 -18.872 249 HH22 ARG 30 HH22 ARG 30 -14.741 25.945 -20.198 250 H LEU 31 HN LEU 31 -10.246 27.917 -13.820 251 HA LEU 31 HA LEU 31 -12.009 30.090 -13.595 252 HB2 LEU 31 HB2 LEU 31 -11.205 28.840 -11.641 253 HB3 LEU 31 HB1 LEU 31 -9.571 29.434 -11.923 254 HG LEU 31 HG LEU 31 -10.348 31.758 -11.582 255 HD11 LEU 31 HD11 LEU 31 -12.589 31.875 -12.222 256 HD12 LEU 31 HD12 LEU 31 -12.742 31.857 -10.469 257 HD13 LEU 31 HD13 LEU 31 -13.016 30.378 -11.391 258 HD21 LEU 31 HD21 LEU 31 -9.514 30.542 -9.645 259 HD22 LEU 31 HD22 LEU 31 -11.094 29.807 -9.382 260 HD23 LEU 31 HD23 LEU 31 -10.879 31.542 -9.145 261 H LYS 32 HN LYS 32 -8.513 29.964 -14.158 262 HA LYS 32 HA LYS 32 -8.052 32.732 -14.101 263 HB2 LYS 32 HB2 LYS 32 -6.233 31.072 -14.032 264 HB3 LYS 32 HB1 LYS 32 -6.571 30.613 -15.694 265 HG2 LYS 32 HG2 LYS 32 -6.079 32.919 -16.435 266 HG3 LYS 32 HG1 LYS 32 -5.731 33.369 -14.765 267 HD2 LYS 32 HD2 LYS 32 -3.909 31.731 -14.682 268 HD3 LYS 32 HD1 LYS 32 -4.276 31.219 -16.329 269 HE2 LYS 32 HE2 LYS 32 -2.414 32.793 -16.377 270 HE3 LYS 32 HE1 LYS 32 -3.831 33.545 -17.111 271 HZ1 LYS 32 HZ1 LYS 32 -2.344 34.540 -15.034 272 HZ2 LYS 32 HZ2 LYS 32 -3.764 33.965 -14.298 273 HZ3 LYS 32 HZ3 LYS 32 -3.856 35.104 -15.555 274 H ASN 33 HN ASN 33 -9.050 30.573 -16.729 275 HA ASN 33 HA ASN 33 -8.858 32.484 -18.809 276 HB2 ASN 33 HB2 ASN 33 -10.532 29.984 -18.505 277 HB3 ASN 33 HB1 ASN 33 -10.502 30.954 -19.975 278 HD21 ASN 33 HD21 ASN 33 -8.373 31.165 -21.099 279 HD22 ASN 33 HD22 ASN 33 -7.191 29.967 -20.878 280 H GLU 34 HN GLU 34 -11.498 31.600 -16.623 281 HA GLU 34 HA GLU 34 -13.495 33.195 -17.836 282 HB2 GLU 34 HB2 GLU 34 -13.157 32.203 -14.997 283 HB3 GLU 34 HB1 GLU 34 -14.609 33.016 -15.584 284 HG2 GLU 34 HG2 GLU 34 -13.445 30.519 -16.847 285 HG3 GLU 34 HG1 GLU 34 -14.748 30.502 -15.662 286 H ARG 35 HN ARG 35 -11.155 33.835 -15.268 287 HA ARG 35 HA ARG 35 -12.095 36.426 -14.608 288 HB2 ARG 35 HB2 ARG 35 -10.607 35.198 -13.094 289 HB3 ARG 35 HB1 ARG 35 -9.302 35.275 -14.273 290 HG2 ARG 35 HG2 ARG 35 -9.269 37.710 -14.142 291 HG3 ARG 35 HG1 ARG 35 -10.660 37.691 -13.056 292 HD2 ARG 35 HD2 ARG 35 -8.026 36.329 -12.459 293 HD3 ARG 35 HD1 ARG 35 -8.460 37.932 -11.870 294 HE ARG 35 HE ARG 35 -10.530 36.193 -11.150 295 HH11 ARG 35 HH11 ARG 35 -10.588 35.318 -9.056 296 HH12 ARG 35 HH12 ARG 35 -9.135 35.236 -8.118 297 HH21 ARG 35 HH21 ARG 35 -7.153 36.663 -10.578 298 HH22 ARG 35 HH22 ARG 35 -7.189 35.999 -8.979 299 H HIS 36 HN HIS 36 -9.717 35.269 -16.951 300 HA HIS 36 HA HIS 36 -8.723 37.790 -17.723 301 HB2 HIS 36 HB2 HIS 36 -7.613 35.635 -18.282 302 HB3 HIS 36 HB1 HIS 36 -8.905 35.277 -19.422 303 HD2 HIS 36 HD2 HIS 36 -5.725 37.491 -19.171 304 HE1 HIS 36 HE1 HIS 36 -7.506 38.228 -22.925 305 HE2 HIS 36 HE2 HIS 36 -5.444 38.636 -21.499 306 H ASP 37 HN ASP 37 -11.463 35.874 -18.867 307 HA ASP 37 HA ASP 37 -12.123 37.504 -21.071 308 HB2 ASP 37 HB2 ASP 37 -13.807 35.628 -19.386 309 HB3 ASP 37 HB1 ASP 37 -14.408 36.450 -20.822 310 H HIS 38 HN HIS 38 -13.024 37.642 -17.651 311 HA HIS 38 HA HIS 38 -14.950 39.732 -18.013 312 HB2 HIS 38 HB2 HIS 38 -15.005 38.167 -16.081 313 HB3 HIS 38 HB1 HIS 38 -13.516 38.893 -15.475 314 HD2 HIS 38 HD2 HIS 38 -16.299 41.253 -16.936 315 HE1 HIS 38 HE1 HIS 38 -16.185 41.764 -12.749 316 HE2 HIS 38 HE2 HIS 38 -17.174 42.649 -14.914 317 H ASP 39 HN ASP 39 -11.523 39.587 -17.539 318 HA ASP 39 HA ASP 39 -11.161 42.273 -16.643 319 HB2 ASP 39 HB2 ASP 39 -9.469 40.415 -16.352 320 HB3 ASP 39 HB1 ASP 39 -9.096 40.570 -18.068 321 H TYR 40 HN TYR 40 -11.309 40.723 -19.794 322 HA TYR 40 HA TYR 40 -10.672 43.248 -21.157 323 HB2 TYR 40 HB2 TYR 40 -9.636 41.125 -21.940 324 HB3 TYR 40 HB1 TYR 40 -11.245 40.511 -22.324 325 HD1 TYR 40 HD1 TYR 40 -8.852 43.272 -23.051 326 HD2 TYR 40 HD2 TYR 40 -12.326 41.108 -24.346 327 HE1 TYR 40 HE1 TYR 40 -8.772 44.450 -25.232 328 HE2 TYR 40 HE2 TYR 40 -12.248 42.286 -26.526 329 HH TYR 40 HH TYR 40 -9.827 43.642 -27.791 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 1.512 -16.465 1.899 2 H2 GLY 1 HT2 GLY 1 0.408 -16.844 3.133 3 H3 GLY 1 HT3 GLY 1 2.027 -17.345 3.254 4 HA2 GLY 1 HA2 GLY 1 2.191 -15.539 4.576 5 HA3 GLY 1 HA1 GLY 1 2.427 -14.749 3.016 6 H SER 2 HN SER 2 -0.150 -15.761 5.264 7 HA SER 2 HA SER 2 -2.100 -13.987 4.132 8 HB2 SER 2 HB2 SER 2 -2.834 -15.983 5.293 9 HB3 SER 2 HB1 SER 2 -2.013 -15.477 6.765 10 HG SER 2 HG SER 2 -3.491 -13.918 7.066 11 H VAL 3 HN VAL 3 -2.490 -11.899 4.592 12 HA VAL 3 HA VAL 3 -1.795 -10.696 7.104 13 HB VAL 3 HB VAL 3 0.427 -10.788 5.947 14 HG11 VAL 3 HG11 VAL 3 -0.633 -10.469 3.644 15 HG12 VAL 3 HG12 VAL 3 0.815 -9.514 3.963 16 HG13 VAL 3 HG13 VAL 3 -0.776 -8.759 4.053 17 HG21 VAL 3 HG21 VAL 3 -0.663 -7.972 6.227 18 HG22 VAL 3 HG22 VAL 3 1.003 -8.500 6.467 19 HG23 VAL 3 HG23 VAL 3 -0.251 -8.998 7.602 20 H LYS 4 HN LYS 4 -2.809 -10.393 3.764 21 HA LYS 4 HA LYS 4 -4.312 -9.008 2.718 22 HB2 LYS 4 HB2 LYS 4 -5.348 -9.094 5.548 23 HB3 LYS 4 HB1 LYS 4 -6.155 -8.113 4.327 24 HG2 LYS 4 HG2 LYS 4 -7.213 -10.302 4.411 25 HG3 LYS 4 HG1 LYS 4 -6.352 -10.138 2.882 26 HD2 LYS 4 HD2 LYS 4 -4.545 -11.502 3.643 27 HD3 LYS 4 HD1 LYS 4 -5.113 -11.440 5.313 28 HE2 LYS 4 HE2 LYS 4 -7.142 -12.691 4.661 29 HE3 LYS 4 HE1 LYS 4 -6.562 -12.758 2.997 30 HZ1 LYS 4 HZ1 LYS 4 -6.081 -14.672 4.732 31 HZ2 LYS 4 HZ2 LYS 4 -4.745 -13.682 5.082 32 HZ3 LYS 4 HZ3 LYS 4 -4.980 -14.272 3.505 33 H LYS 5 HN LYS 5 -1.960 -7.763 3.084 34 HA LYS 5 HA LYS 5 -2.767 -4.980 3.352 35 HB2 LYS 5 HB2 LYS 5 -2.102 -5.831 5.682 36 HB3 LYS 5 HB1 LYS 5 -0.459 -5.936 5.049 37 HG2 LYS 5 HG2 LYS 5 -0.487 -3.559 4.481 38 HG3 LYS 5 HG1 LYS 5 -2.170 -3.431 4.994 39 HD2 LYS 5 HD2 LYS 5 -1.445 -4.185 7.288 40 HD3 LYS 5 HD1 LYS 5 0.226 -4.054 6.736 41 HE2 LYS 5 HE2 LYS 5 -1.790 -1.792 6.683 42 HE3 LYS 5 HE1 LYS 5 -0.544 -1.997 7.914 43 HZ1 LYS 5 HZ1 LYS 5 0.782 -0.862 6.564 44 HZ2 LYS 5 HZ2 LYS 5 -0.324 -0.937 5.277 45 HZ3 LYS 5 HZ3 LYS 5 0.781 -2.204 5.527 46 H LEU 6 HN LEU 6 -2.035 -6.218 1.037 47 HA LEU 6 HA LEU 6 0.756 -6.207 0.506 48 HB2 LEU 6 HB2 LEU 6 -1.578 -5.901 -1.409 49 HB3 LEU 6 HB1 LEU 6 0.077 -6.316 -1.855 50 HG LEU 6 HG LEU 6 -1.678 -7.953 -0.000 51 HD11 LEU 6 HD11 LEU 6 -1.670 -9.572 -1.926 52 HD12 LEU 6 HD12 LEU 6 -0.924 -8.316 -2.913 53 HD13 LEU 6 HD13 LEU 6 -2.544 -8.076 -2.257 54 HD21 LEU 6 HD21 LEU 6 0.503 -8.507 0.631 55 HD22 LEU 6 HD22 LEU 6 1.166 -8.202 -0.975 56 HD23 LEU 6 HD23 LEU 6 0.233 -9.668 -0.665 57 H ASN 7 HN ASN 7 2.076 -4.650 -0.331 58 HA ASN 7 HA ASN 7 1.478 -1.938 0.217 59 HB2 ASN 7 HB2 ASN 7 3.693 -3.272 -1.333 60 HB3 ASN 7 HB1 ASN 7 3.611 -1.525 -1.121 61 HD21 ASN 7 HD21 ASN 7 3.342 -0.829 1.302 62 HD22 ASN 7 HD22 ASN 7 4.235 -1.719 2.439 63 H ASP 8 HN ASP 8 0.770 -3.942 -2.446 64 HA ASP 8 HA ASP 8 0.775 -2.105 -4.573 65 HB2 ASP 8 HB2 ASP 8 -0.913 -4.550 -4.020 66 HB3 ASP 8 HB1 ASP 8 -1.014 -3.638 -5.524 67 H GLU 9 HN GLU 9 -1.623 -2.820 -2.077 68 HA GLU 9 HA GLU 9 -3.729 -1.258 -3.144 69 HB2 GLU 9 HB2 GLU 9 -3.139 -2.120 -0.295 70 HB3 GLU 9 HB1 GLU 9 -4.597 -1.252 -0.774 71 HG2 GLU 9 HG2 GLU 9 -5.252 -3.033 -2.265 72 HG3 GLU 9 HG1 GLU 9 -3.710 -3.859 -2.033 73 H VAL 10 HN VAL 10 -1.018 -0.457 -0.991 74 HA VAL 10 HA VAL 10 -1.876 2.141 -0.354 75 HB VAL 10 HB VAL 10 0.863 0.835 -0.324 76 HG11 VAL 10 HG11 VAL 10 1.398 2.821 1.159 77 HG12 VAL 10 HG12 VAL 10 -0.051 3.581 0.503 78 HG13 VAL 10 HG13 VAL 10 1.282 3.151 -0.568 79 HG21 VAL 10 HG21 VAL 10 0.461 0.875 2.113 80 HG22 VAL 10 HG22 VAL 10 -0.769 -0.069 1.273 81 HG23 VAL 10 HG23 VAL 10 -1.138 1.564 1.835 82 H ALA 11 HN ALA 11 0.061 0.803 -3.007 83 HA ALA 11 HA ALA 11 0.973 3.254 -4.076 84 HB1 ALA 11 HB1 ALA 11 1.394 2.015 -6.126 85 HB2 ALA 11 HB2 ALA 11 0.349 0.703 -5.586 86 HB3 ALA 11 HB3 ALA 11 1.867 1.029 -4.743 87 H LEU 12 HN LEU 12 -1.977 1.379 -4.652 88 HA LEU 12 HA LEU 12 -2.985 2.989 -6.751 89 HB2 LEU 12 HB2 LEU 12 -4.366 1.169 -4.767 90 HB3 LEU 12 HB1 LEU 12 -5.207 1.968 -6.091 91 HG LEU 12 HG LEU 12 -2.779 0.198 -6.490 92 HD11 LEU 12 HD11 LEU 12 -4.474 -1.510 -7.236 93 HD12 LEU 12 HD12 LEU 12 -5.734 -0.465 -6.579 94 HD13 LEU 12 HD13 LEU 12 -4.519 -1.162 -5.508 95 HD21 LEU 12 HD21 LEU 12 -3.004 1.443 -8.461 96 HD22 LEU 12 HD22 LEU 12 -4.754 1.584 -8.305 97 HD23 LEU 12 HD23 LEU 12 -4.033 0.062 -8.826 98 H GLU 13 HN GLU 13 -3.275 3.205 -3.232 99 HA GLU 13 HA GLU 13 -5.258 5.230 -3.179 100 HB2 GLU 13 HB2 GLU 13 -3.118 4.426 -1.205 101 HB3 GLU 13 HB1 GLU 13 -4.321 5.669 -0.863 102 HG2 GLU 13 HG2 GLU 13 -5.032 2.846 -1.719 103 HG3 GLU 13 HG1 GLU 13 -4.942 3.361 -0.037 104 H ARG 14 HN ARG 14 -1.724 5.335 -3.261 105 HA ARG 14 HA ARG 14 -1.474 8.143 -2.990 106 HB2 ARG 14 HB2 ARG 14 0.343 6.067 -4.222 107 HB3 ARG 14 HB1 ARG 14 0.808 7.751 -3.991 108 HG2 ARG 14 HG2 ARG 14 -0.203 6.072 -1.694 109 HG3 ARG 14 HG1 ARG 14 1.494 6.049 -2.164 110 HD2 ARG 14 HD2 ARG 14 1.609 8.500 -1.841 111 HD3 ARG 14 HD1 ARG 14 -0.076 8.522 -1.344 112 HE ARG 14 HE ARG 14 2.177 7.536 0.214 113 HH11 ARG 14 HH11 ARG 14 1.686 7.075 2.383 114 HH12 ARG 14 HH12 ARG 14 0.034 6.993 2.897 115 HH21 ARG 14 HH21 ARG 14 -1.253 7.698 -0.246 116 HH22 ARG 14 HH22 ARG 14 -1.631 7.346 1.407 117 H LEU 15 HN LEU 15 -1.832 6.025 -5.787 118 HA LEU 15 HA LEU 15 -1.352 7.966 -7.765 119 HB2 LEU 15 HB2 LEU 15 -1.415 5.583 -8.303 120 HB3 LEU 15 HB1 LEU 15 -3.121 5.497 -7.888 121 HG LEU 15 HG LEU 15 -3.634 7.119 -9.698 122 HD11 LEU 15 HD11 LEU 15 -0.632 7.088 -9.953 123 HD12 LEU 15 HD12 LEU 15 -1.746 8.453 -10.019 124 HD13 LEU 15 HD13 LEU 15 -1.619 7.356 -11.392 125 HD21 LEU 15 HD21 LEU 15 -3.390 5.556 -11.492 126 HD22 LEU 15 HD22 LEU 15 -3.533 4.591 -10.022 127 HD23 LEU 15 HD23 LEU 15 -1.952 4.840 -10.763 128 H LYS 16 HN LYS 16 -4.307 7.060 -6.014 129 HA LYS 16 HA LYS 16 -6.064 8.716 -7.523 130 HB2 LYS 16 HB2 LYS 16 -6.285 7.592 -4.712 131 HB3 LYS 16 HB1 LYS 16 -7.570 8.482 -5.526 132 HG2 LYS 16 HG2 LYS 16 -7.570 6.844 -7.356 133 HG3 LYS 16 HG1 LYS 16 -6.264 5.956 -6.568 134 HD2 LYS 16 HD2 LYS 16 -7.696 5.560 -4.609 135 HD3 LYS 16 HD1 LYS 16 -9.005 6.459 -5.378 136 HE2 LYS 16 HE2 LYS 16 -9.040 4.828 -7.229 137 HE3 LYS 16 HE1 LYS 16 -7.733 3.927 -6.459 138 HZ1 LYS 16 HZ1 LYS 16 -9.563 4.212 -4.479 139 HZ2 LYS 16 HZ2 LYS 16 -9.349 2.821 -5.430 140 HZ3 LYS 16 HZ3 LYS 16 -10.535 3.964 -5.846 141 H ASN 17 HN ASN 17 -4.102 9.286 -4.621 142 HA ASN 17 HA ASN 17 -5.164 11.822 -3.970 143 HB2 ASN 17 HB2 ASN 17 -2.492 10.522 -3.436 144 HB3 ASN 17 HB1 ASN 17 -2.935 12.104 -2.795 145 HD21 ASN 17 HD21 ASN 17 -2.447 9.790 -1.109 146 HD22 ASN 17 HD22 ASN 17 -3.911 9.404 -0.341 147 H GLU 18 HN GLU 18 -2.535 10.793 -6.096 148 HA GLU 18 HA GLU 18 -1.475 13.361 -6.643 149 HB2 GLU 18 HB2 GLU 18 -0.308 11.233 -7.218 150 HB3 GLU 18 HB1 GLU 18 -1.505 10.945 -8.481 151 HG2 GLU 18 HG2 GLU 18 0.483 11.948 -9.471 152 HG3 GLU 18 HG1 GLU 18 -0.842 13.108 -9.549 153 H ARG 19 HN ARG 19 -3.996 11.454 -8.235 154 HA ARG 19 HA ARG 19 -4.476 13.216 -10.387 155 HB2 ARG 19 HB2 ARG 19 -6.310 11.237 -9.001 156 HB3 ARG 19 HB1 ARG 19 -6.711 12.063 -10.505 157 HG2 ARG 19 HG2 ARG 19 -4.133 10.511 -10.276 158 HG3 ARG 19 HG1 ARG 19 -5.644 9.672 -10.619 159 HD2 ARG 19 HD2 ARG 19 -6.003 11.153 -12.577 160 HD3 ARG 19 HD1 ARG 19 -4.465 11.942 -12.255 161 HE ARG 19 HE ARG 19 -3.974 9.193 -12.449 162 HH11 ARG 19 HH11 ARG 19 -3.180 8.339 -14.408 163 HH12 ARG 19 HH12 ARG 19 -3.413 9.217 -15.882 164 HH21 ARG 19 HH21 ARG 19 -5.095 11.841 -14.356 165 HH22 ARG 19 HH22 ARG 19 -4.498 11.205 -15.853 166 H HIS 20 HN HIS 20 -5.810 13.062 -7.125 167 HA HIS 20 HA HIS 20 -7.841 14.981 -7.424 168 HB2 HIS 20 HB2 HIS 20 -7.680 13.535 -5.461 169 HB3 HIS 20 HB1 HIS 20 -6.176 14.325 -4.986 170 HD2 HIS 20 HD2 HIS 20 -6.522 16.688 -3.554 171 HE1 HIS 20 HE1 HIS 20 -10.687 17.074 -4.126 172 HE2 HIS 20 HE2 HIS 20 -8.667 18.035 -2.925 173 H VAL 21 HN VAL 21 -4.423 15.353 -6.490 174 HA VAL 21 HA VAL 21 -4.487 18.113 -6.003 175 HB VAL 21 HB VAL 21 -2.277 16.219 -6.836 176 HG11 VAL 21 HG11 VAL 21 -1.528 18.329 -7.589 177 HG12 VAL 21 HG12 VAL 21 -0.798 18.141 -5.997 178 HG13 VAL 21 HG13 VAL 21 -2.220 19.164 -6.202 179 HG21 VAL 21 HG21 VAL 21 -1.568 16.656 -4.451 180 HG22 VAL 21 HG22 VAL 21 -3.108 15.814 -4.583 181 HG23 VAL 21 HG23 VAL 21 -3.076 17.539 -4.218 182 H HIS 22 HN HIS 22 -3.744 16.240 -8.941 183 HA HIS 22 HA HIS 22 -3.140 18.482 -10.560 184 HB2 HIS 22 HB2 HIS 22 -4.022 15.673 -11.264 185 HB3 HIS 22 HB1 HIS 22 -3.611 16.887 -12.475 186 HD2 HIS 22 HD2 HIS 22 -1.675 14.142 -11.691 187 HE1 HIS 22 HE1 HIS 22 1.050 17.158 -10.548 188 HE2 HIS 22 HE2 HIS 22 0.818 14.701 -11.145 189 H ASP 23 HN ASP 23 -6.166 16.825 -9.798 190 HA ASP 23 HA ASP 23 -7.794 18.032 -11.756 191 HB2 ASP 23 HB2 ASP 23 -8.429 16.983 -8.989 192 HB3 ASP 23 HB1 ASP 23 -9.657 17.540 -10.123 193 H GLU 24 HN GLU 24 -6.865 19.063 -8.495 194 HA GLU 24 HA GLU 24 -8.532 21.385 -8.505 195 HB2 GLU 24 HB2 GLU 24 -7.694 20.356 -6.403 196 HB3 GLU 24 HB1 GLU 24 -6.063 20.882 -6.811 197 HG2 GLU 24 HG2 GLU 24 -6.806 23.222 -6.843 198 HG3 GLU 24 HG1 GLU 24 -8.453 22.709 -6.474 199 H GLU 25 HN GLU 25 -5.197 20.723 -9.449 200 HA GLU 25 HA GLU 25 -4.345 23.414 -9.793 201 HB2 GLU 25 HB2 GLU 25 -3.407 20.804 -10.985 202 HB3 GLU 25 HB1 GLU 25 -2.683 22.337 -11.461 203 HG2 GLU 25 HG2 GLU 25 -1.879 22.762 -9.275 204 HG3 GLU 25 HG1 GLU 25 -2.909 21.543 -8.541 205 H VAL 26 HN VAL 26 -5.988 21.192 -12.047 206 HA VAL 26 HA VAL 26 -5.837 23.059 -14.234 207 HB VAL 26 HB VAL 26 -6.136 20.398 -14.241 208 HG11 VAL 26 HG11 VAL 26 -8.475 20.709 -13.131 209 HG12 VAL 26 HG12 VAL 26 -8.330 19.594 -14.489 210 HG13 VAL 26 HG13 VAL 26 -9.000 21.204 -14.737 211 HG21 VAL 26 HG21 VAL 26 -7.033 20.572 -16.550 212 HG22 VAL 26 HG22 VAL 26 -5.742 21.733 -16.241 213 HG23 VAL 26 HG23 VAL 26 -7.423 22.267 -16.249 214 H GLU 27 HN GLU 27 -8.096 22.306 -11.692 215 HA GLU 27 HA GLU 27 -10.406 23.533 -12.710 216 HB2 GLU 27 HB2 GLU 27 -10.384 22.093 -10.706 217 HB3 GLU 27 HB1 GLU 27 -9.502 23.344 -9.830 218 HG2 GLU 27 HG2 GLU 27 -11.351 24.906 -10.098 219 HG3 GLU 27 HG1 GLU 27 -12.218 23.752 -11.109 220 H LEU 28 HN LEU 28 -7.689 24.852 -10.871 221 HA LEU 28 HA LEU 28 -8.767 27.467 -10.578 222 HB2 LEU 28 HB2 LEU 28 -6.012 26.284 -10.337 223 HB3 LEU 28 HB1 LEU 28 -6.215 28.033 -10.286 224 HG LEU 28 HG LEU 28 -7.944 26.295 -8.509 225 HD11 LEU 28 HD11 LEU 28 -5.075 27.135 -7.987 226 HD12 LEU 28 HD12 LEU 28 -5.698 25.486 -8.041 227 HD13 LEU 28 HD13 LEU 28 -6.184 26.571 -6.738 228 HD21 LEU 28 HD21 LEU 28 -8.252 28.817 -8.789 229 HD22 LEU 28 HD22 LEU 28 -6.671 29.003 -8.031 230 HD23 LEU 28 HD23 LEU 28 -7.995 28.265 -7.135 231 H GLU 29 HN GLU 29 -6.802 25.920 -13.068 232 HA GLU 29 HA GLU 29 -6.119 28.253 -14.510 233 HB2 GLU 29 HB2 GLU 29 -5.059 26.037 -14.873 234 HB3 GLU 29 HB1 GLU 29 -6.563 25.459 -15.594 235 HG2 GLU 29 HG2 GLU 29 -6.406 27.187 -17.335 236 HG3 GLU 29 HG1 GLU 29 -4.926 27.802 -16.600 237 H ARG 30 HN ARG 30 -8.895 26.067 -14.712 238 HA ARG 30 HA ARG 30 -10.110 27.232 -16.975 239 HB2 ARG 30 HB2 ARG 30 -11.241 25.693 -14.631 240 HB3 ARG 30 HB1 ARG 30 -12.210 26.167 -16.023 241 HG2 ARG 30 HG2 ARG 30 -9.629 24.667 -16.450 242 HG3 ARG 30 HG1 ARG 30 -11.079 23.788 -15.974 243 HD2 ARG 30 HD2 ARG 30 -10.937 25.636 -18.377 244 HD3 ARG 30 HD1 ARG 30 -10.747 23.887 -18.450 245 HE ARG 30 HE ARG 30 -13.143 24.421 -17.101 246 HH11 ARG 30 HH11 ARG 30 -15.106 24.305 -18.219 247 HH12 ARG 30 HH12 ARG 30 -15.126 24.451 -19.945 248 HH21 ARG 30 HH21 ARG 30 -11.689 24.846 -20.211 249 HH22 ARG 30 HH22 ARG 30 -13.187 24.758 -21.075 250 H LEU 31 HN LEU 31 -10.402 27.927 -13.511 251 HA LEU 31 HA LEU 31 -12.506 29.811 -13.716 252 HB2 LEU 31 HB2 LEU 31 -10.299 29.461 -11.678 253 HB3 LEU 31 HB1 LEU 31 -11.624 30.607 -11.486 254 HG LEU 31 HG LEU 31 -12.000 27.630 -11.932 255 HD11 LEU 31 HD11 LEU 31 -12.597 27.598 -9.501 256 HD12 LEU 31 HD12 LEU 31 -12.043 29.267 -9.381 257 HD13 LEU 31 HD13 LEU 31 -10.903 27.988 -9.793 258 HD21 LEU 31 HD21 LEU 31 -14.303 28.421 -10.810 259 HD22 LEU 31 HD22 LEU 31 -14.044 28.542 -12.545 260 HD23 LEU 31 HD23 LEU 31 -13.852 29.968 -11.527 261 H LYS 32 HN LYS 32 -8.983 30.123 -13.862 262 HA LYS 32 HA LYS 32 -8.912 32.953 -13.965 263 HB2 LYS 32 HB2 LYS 32 -6.952 30.854 -14.929 264 HB3 LYS 32 HB1 LYS 32 -6.636 32.587 -15.008 265 HG2 LYS 32 HG2 LYS 32 -6.957 32.768 -12.578 266 HG3 LYS 32 HG1 LYS 32 -7.302 31.040 -12.489 267 HD2 LYS 32 HD2 LYS 32 -5.068 30.507 -13.306 268 HD3 LYS 32 HD1 LYS 32 -4.711 32.221 -13.525 269 HE2 LYS 32 HE2 LYS 32 -3.737 31.421 -11.420 270 HE3 LYS 32 HE1 LYS 32 -5.023 32.582 -11.093 271 HZ1 LYS 32 HZ1 LYS 32 -6.186 31.047 -10.023 272 HZ2 LYS 32 HZ2 LYS 32 -4.829 30.029 -10.109 273 HZ3 LYS 32 HZ3 LYS 32 -6.041 29.936 -11.296 274 H ASN 33 HN ASN 33 -9.260 30.459 -16.454 275 HA ASN 33 HA ASN 33 -8.926 32.120 -18.710 276 HB2 ASN 33 HB2 ASN 33 -10.490 29.561 -18.315 277 HB3 ASN 33 HB1 ASN 33 -10.297 30.348 -19.879 278 HD21 ASN 33 HD21 ASN 33 -9.211 27.715 -19.252 279 HD22 ASN 33 HD22 ASN 33 -7.520 27.838 -19.341 280 H GLU 34 HN GLU 34 -11.794 31.298 -16.789 281 HA GLU 34 HA GLU 34 -13.692 32.601 -18.439 282 HB2 GLU 34 HB2 GLU 34 -13.685 31.926 -15.494 283 HB3 GLU 34 HB1 GLU 34 -15.077 32.624 -16.322 284 HG2 GLU 34 HG2 GLU 34 -15.205 30.737 -17.832 285 HG3 GLU 34 HG1 GLU 34 -13.697 30.076 -17.203 286 H ARG 35 HN ARG 35 -11.734 33.688 -15.705 287 HA ARG 35 HA ARG 35 -12.900 36.264 -15.465 288 HB2 ARG 35 HB2 ARG 35 -11.453 35.197 -13.710 289 HB3 ARG 35 HB1 ARG 35 -10.052 35.505 -14.731 290 HG2 ARG 35 HG2 ARG 35 -10.568 37.922 -14.704 291 HG3 ARG 35 HG1 ARG 35 -11.953 37.604 -13.656 292 HD2 ARG 35 HD2 ARG 35 -10.433 36.609 -11.972 293 HD3 ARG 35 HD1 ARG 35 -9.058 36.980 -13.009 294 HE ARG 35 HE ARG 35 -9.244 39.226 -12.393 295 HH11 ARG 35 HH11 ARG 35 -10.094 40.876 -11.086 296 HH12 ARG 35 HH12 ARG 35 -11.565 40.612 -10.212 297 HH21 ARG 35 HH21 ARG 35 -11.980 37.371 -11.373 298 HH22 ARG 35 HH22 ARG 35 -12.635 38.626 -10.374 299 H HIS 36 HN HIS 36 -10.238 35.000 -17.419 300 HA HIS 36 HA HIS 36 -9.308 37.490 -18.392 301 HB2 HIS 36 HB2 HIS 36 -8.016 35.358 -18.540 302 HB3 HIS 36 HB1 HIS 36 -9.127 34.800 -19.790 303 HD2 HIS 36 HD2 HIS 36 -6.204 37.362 -19.354 304 HE1 HIS 36 HE1 HIS 36 -7.383 37.416 -23.407 305 HE2 HIS 36 HE2 HIS 36 -5.644 38.238 -21.748 306 H ASP 37 HN ASP 37 -11.862 35.312 -19.460 307 HA ASP 37 HA ASP 37 -12.373 36.419 -21.987 308 HB2 ASP 37 HB2 ASP 37 -13.354 34.289 -21.147 309 HB3 ASP 37 HB1 ASP 37 -14.410 35.226 -20.090 310 H HIS 38 HN HIS 38 -13.040 37.681 -18.822 311 HA HIS 38 HA HIS 38 -15.168 39.409 -19.562 312 HB2 HIS 38 HB2 HIS 38 -13.226 39.467 -17.237 313 HB3 HIS 38 HB1 HIS 38 -14.635 40.491 -17.403 314 HD2 HIS 38 HD2 HIS 38 -16.013 37.379 -18.752 315 HE1 HIS 38 HE1 HIS 38 -16.327 36.804 -14.581 316 HE2 HIS 38 HE2 HIS 38 -17.095 35.956 -16.849 317 H ASP 39 HN ASP 39 -11.881 39.428 -20.301 318 HA ASP 39 HA ASP 39 -11.313 42.215 -20.175 319 HB2 ASP 39 HB2 ASP 39 -9.418 41.695 -21.625 320 HB3 ASP 39 HB1 ASP 39 -9.557 40.472 -20.364 321 H TYR 40 HN TYR 40 -13.233 40.305 -22.277 322 HA TYR 40 HA TYR 40 -14.322 40.742 -24.255 323 HB2 TYR 40 HB2 TYR 40 -15.217 42.536 -22.687 324 HB3 TYR 40 HB1 TYR 40 -14.078 43.645 -23.451 325 HD1 TYR 40 HD1 TYR 40 -16.912 41.326 -24.143 326 HD2 TYR 40 HD2 TYR 40 -14.552 44.617 -25.574 327 HE1 TYR 40 HE1 TYR 40 -18.502 41.650 -26.018 328 HE2 TYR 40 HE2 TYR 40 -16.140 44.940 -27.451 329 HH TYR 40 HH TYR 40 -17.796 43.575 -28.710 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 2.270 -16.048 -5.606 2 H2 GLY 1 HT2 GLY 1 1.305 -17.057 -6.574 3 H3 GLY 1 HT3 GLY 1 2.838 -17.580 -6.062 4 HA2 GLY 1 HA2 GLY 1 0.339 -17.348 -4.523 5 HA3 GLY 1 HA1 GLY 1 1.471 -18.699 -4.610 6 H SER 2 HN SER 2 2.388 -15.321 -4.210 7 HA SER 2 HA SER 2 4.097 -15.866 -2.017 8 HB2 SER 2 HB2 SER 2 2.937 -13.245 -2.988 9 HB3 SER 2 HB1 SER 2 4.243 -13.397 -1.816 10 HG SER 2 HG SER 2 5.510 -14.336 -3.382 11 H VAL 3 HN VAL 3 3.796 -15.748 0.150 12 HA VAL 3 HA VAL 3 1.111 -15.814 1.161 13 HB VAL 3 HB VAL 3 2.189 -16.098 3.354 14 HG11 VAL 3 HG11 VAL 3 3.637 -17.682 1.213 15 HG12 VAL 3 HG12 VAL 3 1.980 -18.005 1.723 16 HG13 VAL 3 HG13 VAL 3 3.307 -18.191 2.869 17 HG21 VAL 3 HG21 VAL 3 4.722 -16.188 3.370 18 HG22 VAL 3 HG22 VAL 3 4.050 -14.571 3.161 19 HG23 VAL 3 HG23 VAL 3 4.692 -15.447 1.770 20 H LYS 4 HN LYS 4 3.461 -13.371 0.643 21 HA LYS 4 HA LYS 4 2.573 -11.530 2.654 22 HB2 LYS 4 HB2 LYS 4 4.147 -11.090 0.104 23 HB3 LYS 4 HB1 LYS 4 3.862 -9.868 1.341 24 HG2 LYS 4 HG2 LYS 4 5.068 -11.111 2.991 25 HG3 LYS 4 HG1 LYS 4 5.113 -12.548 1.973 26 HD2 LYS 4 HD2 LYS 4 7.287 -11.556 1.829 27 HD3 LYS 4 HD1 LYS 4 6.478 -11.182 0.311 28 HE2 LYS 4 HE2 LYS 4 7.647 -9.208 1.256 29 HE3 LYS 4 HE1 LYS 4 5.919 -8.938 1.136 30 HZ1 LYS 4 HZ1 LYS 4 5.643 -9.330 3.428 31 HZ2 LYS 4 HZ2 LYS 4 6.988 -8.298 3.301 32 HZ3 LYS 4 HZ3 LYS 4 7.211 -9.957 3.596 33 H LYS 5 HN LYS 5 1.110 -9.879 2.522 34 HA LYS 5 HA LYS 5 -0.932 -10.133 0.529 35 HB2 LYS 5 HB2 LYS 5 -0.540 -8.155 2.781 36 HB3 LYS 5 HB1 LYS 5 -1.959 -8.176 1.739 37 HG2 LYS 5 HG2 LYS 5 -2.398 -10.515 2.378 38 HG3 LYS 5 HG1 LYS 5 -0.992 -10.483 3.443 39 HD2 LYS 5 HD2 LYS 5 -2.017 -8.625 4.720 40 HD3 LYS 5 HD1 LYS 5 -3.437 -8.705 3.676 41 HE2 LYS 5 HE2 LYS 5 -2.406 -10.985 5.389 42 HE3 LYS 5 HE1 LYS 5 -3.782 -9.956 5.789 43 HZ1 LYS 5 HZ1 LYS 5 -4.453 -12.042 4.730 44 HZ2 LYS 5 HZ2 LYS 5 -3.561 -11.629 3.345 45 HZ3 LYS 5 HZ3 LYS 5 -4.903 -10.694 3.806 46 H LEU 6 HN LEU 6 -1.548 -8.493 -1.067 47 HA LEU 6 HA LEU 6 0.578 -7.268 -2.414 48 HB2 LEU 6 HB2 LEU 6 -2.421 -6.972 -2.507 49 HB3 LEU 6 HB1 LEU 6 -1.400 -5.926 -3.480 50 HG LEU 6 HG LEU 6 -2.159 -8.010 -4.674 51 HD11 LEU 6 HD11 LEU 6 -0.215 -8.123 -5.892 52 HD12 LEU 6 HD12 LEU 6 0.806 -8.328 -4.474 53 HD13 LEU 6 HD13 LEU 6 0.220 -6.730 -4.916 54 HD21 LEU 6 HD21 LEU 6 -0.228 -9.455 -2.838 55 HD22 LEU 6 HD22 LEU 6 -1.339 -10.159 -4.010 56 HD23 LEU 6 HD23 LEU 6 -1.967 -9.415 -2.542 57 H ASN 7 HN ASN 7 1.768 -6.092 -0.876 58 HA ASN 7 HA ASN 7 0.717 -4.025 0.735 59 HB2 ASN 7 HB2 ASN 7 3.485 -4.546 -0.351 60 HB3 ASN 7 HB1 ASN 7 3.120 -3.206 0.736 61 HD21 ASN 7 HD21 ASN 7 4.882 -5.335 1.515 62 HD22 ASN 7 HD22 ASN 7 4.135 -6.206 2.766 63 H ASP 8 HN ASP 8 1.992 -4.072 -2.564 64 HA ASP 8 HA ASP 8 2.145 -1.319 -3.034 65 HB2 ASP 8 HB2 ASP 8 2.931 -3.215 -4.544 66 HB3 ASP 8 HB1 ASP 8 1.261 -3.348 -5.089 67 H GLU 9 HN GLU 9 -0.562 -3.307 -2.519 68 HA GLU 9 HA GLU 9 -2.560 -2.079 -4.031 69 HB2 GLU 9 HB2 GLU 9 -2.907 -4.174 -2.735 70 HB3 GLU 9 HB1 GLU 9 -2.859 -3.242 -1.239 71 HG2 GLU 9 HG2 GLU 9 -4.804 -1.949 -1.939 72 HG3 GLU 9 HG1 GLU 9 -4.826 -2.786 -3.492 73 H VAL 10 HN VAL 10 -1.069 -1.117 -0.987 74 HA VAL 10 HA VAL 10 -2.920 0.945 -0.345 75 HB VAL 10 HB VAL 10 -1.206 -0.159 1.201 76 HG11 VAL 10 HG11 VAL 10 0.672 0.393 -0.557 77 HG12 VAL 10 HG12 VAL 10 1.040 0.515 1.161 78 HG13 VAL 10 HG13 VAL 10 0.695 1.970 0.226 79 HG21 VAL 10 HG21 VAL 10 -1.516 2.848 1.031 80 HG22 VAL 10 HG22 VAL 10 -0.792 2.029 2.416 81 HG23 VAL 10 HG23 VAL 10 -2.475 1.719 1.988 82 H ALA 11 HN ALA 11 -0.035 0.766 -2.326 83 HA ALA 11 HA ALA 11 0.443 3.535 -2.632 84 HB1 ALA 11 HB1 ALA 11 2.036 1.724 -3.336 85 HB2 ALA 11 HB2 ALA 11 1.768 2.952 -4.570 86 HB3 ALA 11 HB3 ALA 11 0.970 1.388 -4.705 87 H LEU 12 HN LEU 12 -1.519 1.265 -4.513 88 HA LEU 12 HA LEU 12 -2.346 3.150 -6.473 89 HB2 LEU 12 HB2 LEU 12 -3.395 0.478 -5.564 90 HB3 LEU 12 HB1 LEU 12 -4.315 1.440 -6.715 91 HG LEU 12 HG LEU 12 -2.726 -0.218 -7.755 92 HD11 LEU 12 HD11 LEU 12 -3.410 2.240 -8.677 93 HD12 LEU 12 HD12 LEU 12 -2.363 1.147 -9.567 94 HD13 LEU 12 HD13 LEU 12 -1.662 2.442 -8.603 95 HD21 LEU 12 HD21 LEU 12 -0.371 0.087 -7.588 96 HD22 LEU 12 HD22 LEU 12 -0.977 0.218 -5.947 97 HD23 LEU 12 HD23 LEU 12 -0.553 1.673 -6.838 98 H GLU 13 HN GLU 13 -3.690 2.193 -3.345 99 HA GLU 13 HA GLU 13 -6.135 3.573 -3.568 100 HB2 GLU 13 HB2 GLU 13 -5.660 1.891 -1.827 101 HB3 GLU 13 HB1 GLU 13 -4.496 2.991 -1.089 102 HG2 GLU 13 HG2 GLU 13 -6.273 4.639 -0.693 103 HG3 GLU 13 HG1 GLU 13 -7.443 3.582 -1.479 104 H ARG 14 HN ARG 14 -2.978 4.558 -2.284 105 HA ARG 14 HA ARG 14 -3.769 7.126 -1.430 106 HB2 ARG 14 HB2 ARG 14 -1.609 5.897 -0.844 107 HB3 ARG 14 HB1 ARG 14 -1.007 6.415 -2.415 108 HG2 ARG 14 HG2 ARG 14 -0.261 8.177 -1.085 109 HG3 ARG 14 HG1 ARG 14 -1.820 8.810 -1.602 110 HD2 ARG 14 HD2 ARG 14 -1.714 9.151 0.764 111 HD3 ARG 14 HD1 ARG 14 -2.795 7.785 0.528 112 HE ARG 14 HE ARG 14 -0.106 6.902 0.875 113 HH11 ARG 14 HH11 ARG 14 0.416 5.934 2.859 114 HH12 ARG 14 HH12 ARG 14 -0.620 6.164 4.228 115 HH21 ARG 14 HH21 ARG 14 -2.879 8.160 2.512 116 HH22 ARG 14 HH22 ARG 14 -2.487 7.426 4.031 117 H LEU 15 HN LEU 15 -2.662 5.890 -4.517 118 HA LEU 15 HA LEU 15 -1.975 8.116 -5.921 119 HB2 LEU 15 HB2 LEU 15 -2.152 5.729 -6.788 120 HB3 LEU 15 HB1 LEU 15 -3.863 6.043 -7.042 121 HG LEU 15 HG LEU 15 -3.231 8.029 -8.446 122 HD11 LEU 15 HD11 LEU 15 -0.486 7.033 -7.758 123 HD12 LEU 15 HD12 LEU 15 -1.066 8.688 -7.946 124 HD13 LEU 15 HD13 LEU 15 -0.747 7.704 -9.364 125 HD21 LEU 15 HD21 LEU 15 -2.760 6.720 -10.413 126 HD22 LEU 15 HD22 LEU 15 -3.779 5.741 -9.361 127 HD23 LEU 15 HD23 LEU 15 -2.046 5.426 -9.449 128 H LYS 16 HN LYS 16 -5.081 7.379 -4.615 129 HA LYS 16 HA LYS 16 -6.766 8.914 -6.271 130 HB2 LYS 16 HB2 LYS 16 -8.327 8.883 -4.424 131 HB3 LYS 16 HB1 LYS 16 -7.508 7.323 -4.464 132 HG2 LYS 16 HG2 LYS 16 -5.872 8.267 -2.754 133 HG3 LYS 16 HG1 LYS 16 -6.952 9.647 -2.602 134 HD2 LYS 16 HD2 LYS 16 -8.803 8.164 -1.963 135 HD3 LYS 16 HD1 LYS 16 -7.745 6.761 -2.129 136 HE2 LYS 16 HE2 LYS 16 -6.253 7.707 -0.379 137 HE3 LYS 16 HE1 LYS 16 -7.370 9.057 -0.184 138 HZ1 LYS 16 HZ1 LYS 16 -8.377 7.771 1.307 139 HZ2 LYS 16 HZ2 LYS 16 -7.563 6.370 0.799 140 HZ3 LYS 16 HZ3 LYS 16 -8.973 6.876 -0.005 141 H ASN 17 HN ASN 17 -4.637 9.819 -3.624 142 HA ASN 17 HA ASN 17 -5.587 12.460 -3.253 143 HB2 ASN 17 HB2 ASN 17 -2.917 11.166 -2.691 144 HB3 ASN 17 HB1 ASN 17 -3.278 12.841 -2.274 145 HD21 ASN 17 HD21 ASN 17 -2.727 10.825 -0.274 146 HD22 ASN 17 HD22 ASN 17 -4.145 10.597 0.630 147 H GLU 18 HN GLU 18 -3.157 11.039 -5.375 148 HA GLU 18 HA GLU 18 -2.097 13.473 -6.380 149 HB2 GLU 18 HB2 GLU 18 -2.197 10.718 -7.624 150 HB3 GLU 18 HB1 GLU 18 -1.272 12.074 -8.268 151 HG2 GLU 18 HG2 GLU 18 -0.951 11.015 -5.449 152 HG3 GLU 18 HG1 GLU 18 0.071 10.526 -6.799 153 H ARG 19 HN ARG 19 -4.762 11.414 -7.386 154 HA ARG 19 HA ARG 19 -5.335 12.807 -9.806 155 HB2 ARG 19 HB2 ARG 19 -6.136 10.509 -9.377 156 HB3 ARG 19 HB1 ARG 19 -7.197 11.129 -8.106 157 HG2 ARG 19 HG2 ARG 19 -8.450 12.443 -9.693 158 HG3 ARG 19 HG1 ARG 19 -7.301 12.077 -10.981 159 HD2 ARG 19 HD2 ARG 19 -7.888 9.697 -10.852 160 HD3 ARG 19 HD1 ARG 19 -9.002 10.029 -9.530 161 HE ARG 19 HE ARG 19 -9.812 11.660 -11.617 162 HH11 ARG 19 HH11 ARG 19 -11.433 11.000 -13.063 163 HH12 ARG 19 HH12 ARG 19 -11.753 9.313 -13.287 164 HH21 ARG 19 HH21 ARG 19 -9.321 8.282 -11.042 165 HH22 ARG 19 HH22 ARG 19 -10.557 7.774 -12.144 166 H HIS 20 HN HIS 20 -6.574 13.087 -6.492 167 HA HIS 20 HA HIS 20 -8.646 14.923 -6.987 168 HB2 HIS 20 HB2 HIS 20 -8.326 13.687 -4.864 169 HB3 HIS 20 HB1 HIS 20 -6.913 14.684 -4.517 170 HD2 HIS 20 HD2 HIS 20 -10.824 15.040 -4.631 171 HE1 HIS 20 HE1 HIS 20 -9.224 18.606 -3.036 172 HE2 HIS 20 HE2 HIS 20 -11.370 17.330 -3.506 173 H VAL 21 HN VAL 21 -5.297 15.520 -5.964 174 HA VAL 21 HA VAL 21 -5.491 18.349 -6.006 175 HB VAL 21 HB VAL 21 -3.699 17.093 -4.806 176 HG11 VAL 21 HG11 VAL 21 -3.205 15.446 -6.584 177 HG12 VAL 21 HG12 VAL 21 -1.765 16.276 -6.059 178 HG13 VAL 21 HG13 VAL 21 -2.525 16.720 -7.580 179 HG21 VAL 21 HG21 VAL 21 -3.530 19.533 -5.500 180 HG22 VAL 21 HG22 VAL 21 -2.547 18.992 -6.861 181 HG23 VAL 21 HG23 VAL 21 -1.990 18.722 -5.210 182 H HIS 22 HN HIS 22 -4.860 15.958 -8.481 183 HA HIS 22 HA HIS 22 -3.758 17.719 -10.415 184 HB2 HIS 22 HB2 HIS 22 -5.091 15.009 -10.590 185 HB3 HIS 22 HB1 HIS 22 -4.571 15.877 -12.032 186 HD2 HIS 22 HD2 HIS 22 -3.004 13.087 -10.869 187 HE1 HIS 22 HE1 HIS 22 0.145 15.807 -10.164 188 HE2 HIS 22 HE2 HIS 22 -0.449 13.350 -10.410 189 H ASP 23 HN ASP 23 -7.065 16.707 -9.656 190 HA ASP 23 HA ASP 23 -8.309 17.947 -11.877 191 HB2 ASP 23 HB2 ASP 23 -9.345 17.173 -9.139 192 HB3 ASP 23 HB1 ASP 23 -10.372 17.836 -10.407 193 H GLU 24 HN GLU 24 -7.528 19.021 -8.625 194 HA GLU 24 HA GLU 24 -8.838 21.552 -8.829 195 HB2 GLU 24 HB2 GLU 24 -6.735 20.492 -6.927 196 HB3 GLU 24 HB1 GLU 24 -7.245 22.175 -6.884 197 HG2 GLU 24 HG2 GLU 24 -9.184 19.848 -6.698 198 HG3 GLU 24 HG1 GLU 24 -8.506 20.672 -5.303 199 H GLU 25 HN GLU 25 -5.562 20.452 -9.517 200 HA GLU 25 HA GLU 25 -4.397 22.986 -9.949 201 HB2 GLU 25 HB2 GLU 25 -3.091 20.902 -9.725 202 HB3 GLU 25 HB1 GLU 25 -3.716 20.328 -11.261 203 HG2 GLU 25 HG2 GLU 25 -1.512 21.302 -11.601 204 HG3 GLU 25 HG1 GLU 25 -2.713 22.323 -12.378 205 H VAL 26 HN VAL 26 -6.246 20.859 -12.090 206 HA VAL 26 HA VAL 26 -5.827 22.533 -14.402 207 HB VAL 26 HB VAL 26 -7.580 20.115 -13.900 208 HG11 VAL 26 HG11 VAL 26 -8.780 21.374 -15.519 209 HG12 VAL 26 HG12 VAL 26 -7.839 20.212 -16.451 210 HG13 VAL 26 HG13 VAL 26 -7.300 21.888 -16.330 211 HG21 VAL 26 HG21 VAL 26 -5.987 19.189 -15.694 212 HG22 VAL 26 HG22 VAL 26 -5.265 19.473 -14.119 213 HG23 VAL 26 HG23 VAL 26 -5.003 20.624 -15.424 214 H GLU 27 HN GLU 27 -8.390 21.954 -12.051 215 HA GLU 27 HA GLU 27 -10.395 23.466 -13.310 216 HB2 GLU 27 HB2 GLU 27 -10.773 21.925 -11.389 217 HB3 GLU 27 HB1 GLU 27 -9.962 23.079 -10.333 218 HG2 GLU 27 HG2 GLU 27 -12.368 23.413 -10.168 219 HG3 GLU 27 HG1 GLU 27 -11.662 24.800 -10.988 220 H LEU 28 HN LEU 28 -7.862 24.398 -11.000 221 HA LEU 28 HA LEU 28 -8.689 27.052 -10.610 222 HB2 LEU 28 HB2 LEU 28 -6.285 25.427 -10.081 223 HB3 LEU 28 HB1 LEU 28 -5.895 27.115 -10.387 224 HG LEU 28 HG LEU 28 -6.320 26.635 -7.982 225 HD11 LEU 28 HD11 LEU 28 -7.112 28.833 -9.431 226 HD12 LEU 28 HD12 LEU 28 -7.210 28.719 -7.681 227 HD13 LEU 28 HD13 LEU 28 -8.630 28.379 -8.663 228 HD21 LEU 28 HD21 LEU 28 -8.236 25.620 -7.216 229 HD22 LEU 28 HD22 LEU 28 -8.317 24.974 -8.851 230 HD23 LEU 28 HD23 LEU 28 -9.265 26.396 -8.418 231 H GLU 29 HN GLU 29 -6.768 25.545 -13.110 232 HA GLU 29 HA GLU 29 -5.865 27.963 -14.310 233 HB2 GLU 29 HB2 GLU 29 -6.072 25.123 -15.323 234 HB3 GLU 29 HB1 GLU 29 -5.514 26.437 -16.348 235 HG2 GLU 29 HG2 GLU 29 -4.252 25.749 -13.667 236 HG3 GLU 29 HG1 GLU 29 -3.645 25.198 -15.218 237 H ARG 30 HN ARG 30 -8.652 25.879 -14.863 238 HA ARG 30 HA ARG 30 -9.625 27.224 -17.152 239 HB2 ARG 30 HB2 ARG 30 -11.001 25.541 -15.053 240 HB3 ARG 30 HB1 ARG 30 -11.815 26.151 -16.494 241 HG2 ARG 30 HG2 ARG 30 -10.271 24.970 -17.942 242 HG3 ARG 30 HG1 ARG 30 -9.288 24.480 -16.562 243 HD2 ARG 30 HD2 ARG 30 -10.725 22.625 -17.238 244 HD3 ARG 30 HD1 ARG 30 -11.230 23.218 -15.659 245 HE ARG 30 HE ARG 30 -12.689 24.535 -17.714 246 HH11 ARG 30 HH11 ARG 30 -14.849 23.909 -18.035 247 HH12 ARG 30 HH12 ARG 30 -15.404 22.386 -17.424 248 HH21 ARG 30 HH21 ARG 30 -12.334 21.510 -16.071 249 HH22 ARG 30 HH22 ARG 30 -13.980 21.027 -16.314 250 H LEU 31 HN LEU 31 -10.173 27.689 -13.692 251 HA LEU 31 HA LEU 31 -12.238 29.605 -13.899 252 HB2 LEU 31 HB2 LEU 31 -10.175 29.073 -11.757 253 HB3 LEU 31 HB1 LEU 31 -11.476 30.244 -11.566 254 HG LEU 31 HG LEU 31 -11.933 27.332 -12.286 255 HD11 LEU 31 HD11 LEU 31 -11.847 28.713 -9.596 256 HD12 LEU 31 HD12 LEU 31 -10.962 27.280 -10.115 257 HD13 LEU 31 HD13 LEU 31 -12.702 27.189 -9.849 258 HD21 LEU 31 HD21 LEU 31 -13.914 28.433 -12.869 259 HD22 LEU 31 HD22 LEU 31 -13.716 29.677 -11.636 260 HD23 LEU 31 HD23 LEU 31 -14.243 28.062 -11.182 261 H LYS 32 HN LYS 32 -8.720 29.896 -13.777 262 HA LYS 32 HA LYS 32 -8.622 32.700 -13.633 263 HB2 LYS 32 HB2 LYS 32 -6.652 31.345 -13.157 264 HB3 LYS 32 HB1 LYS 32 -6.611 30.756 -14.812 265 HG2 LYS 32 HG2 LYS 32 -4.978 32.549 -14.520 266 HG3 LYS 32 HG1 LYS 32 -6.242 33.081 -15.614 267 HD2 LYS 32 HD2 LYS 32 -7.249 34.470 -13.988 268 HD3 LYS 32 HD1 LYS 32 -6.431 33.648 -12.655 269 HE2 LYS 32 HE2 LYS 32 -5.106 35.377 -14.765 270 HE3 LYS 32 HE1 LYS 32 -5.400 35.836 -13.088 271 HZ1 LYS 32 HZ1 LYS 32 -4.126 33.398 -12.988 272 HZ2 LYS 32 HZ2 LYS 32 -3.462 34.914 -12.605 273 HZ3 LYS 32 HZ3 LYS 32 -3.292 34.280 -14.172 274 H ASN 33 HN ASN 33 -8.810 30.471 -16.363 275 HA ASN 33 HA ASN 33 -8.412 32.396 -18.398 276 HB2 ASN 33 HB2 ASN 33 -8.293 29.893 -18.677 277 HB3 ASN 33 HB1 ASN 33 -10.057 29.870 -18.622 278 HD21 ASN 33 HD21 ASN 33 -10.517 29.377 -20.800 279 HD22 ASN 33 HD22 ASN 33 -10.027 30.344 -22.106 280 H GLU 34 HN GLU 34 -11.322 31.184 -16.800 281 HA GLU 34 HA GLU 34 -13.207 32.535 -18.408 282 HB2 GLU 34 HB2 GLU 34 -13.319 31.578 -15.541 283 HB3 GLU 34 HB1 GLU 34 -14.706 32.268 -16.386 284 HG2 GLU 34 HG2 GLU 34 -14.591 30.529 -18.087 285 HG3 GLU 34 HG1 GLU 34 -13.118 29.880 -17.368 286 H ARG 35 HN ARG 35 -11.485 33.480 -15.466 287 HA ARG 35 HA ARG 35 -12.836 36.003 -15.212 288 HB2 ARG 35 HB2 ARG 35 -10.284 34.952 -13.957 289 HB3 ARG 35 HB1 ARG 35 -11.012 36.508 -13.569 290 HG2 ARG 35 HG2 ARG 35 -13.063 35.425 -12.839 291 HG3 ARG 35 HG1 ARG 35 -12.444 33.850 -13.338 292 HD2 ARG 35 HD2 ARG 35 -12.165 34.146 -10.916 293 HD3 ARG 35 HD1 ARG 35 -10.597 34.066 -11.714 294 HE ARG 35 HE ARG 35 -10.231 36.289 -11.126 295 HH11 ARG 35 HH11 ARG 35 -10.786 38.199 -10.029 296 HH12 ARG 35 HH12 ARG 35 -12.412 38.436 -9.483 297 HH21 ARG 35 HH21 ARG 35 -13.544 35.392 -10.702 298 HH22 ARG 35 HH22 ARG 35 -13.975 36.846 -9.864 299 H HIS 36 HN HIS 36 -10.007 34.838 -16.864 300 HA HIS 36 HA HIS 36 -8.683 37.280 -17.311 301 HB2 HIS 36 HB2 HIS 36 -7.557 35.157 -17.735 302 HB3 HIS 36 HB1 HIS 36 -8.689 34.768 -19.023 303 HD2 HIS 36 HD2 HIS 36 -7.953 35.767 -21.496 304 HE1 HIS 36 HE1 HIS 36 -4.959 38.426 -20.162 305 HE2 HIS 36 HE2 HIS 36 -6.066 37.421 -22.215 306 H ASP 37 HN ASP 37 -11.222 35.625 -19.166 307 HA ASP 37 HA ASP 37 -11.226 37.513 -21.308 308 HB2 ASP 37 HB2 ASP 37 -13.280 36.388 -21.991 309 HB3 ASP 37 HB1 ASP 37 -12.066 35.200 -21.523 310 H HIS 38 HN HIS 38 -12.433 37.576 -18.120 311 HA HIS 38 HA HIS 38 -14.473 39.616 -18.739 312 HB2 HIS 38 HB2 HIS 38 -15.036 37.738 -17.179 313 HB3 HIS 38 HB1 HIS 38 -13.810 38.347 -16.065 314 HD2 HIS 38 HD2 HIS 38 -14.886 40.135 -14.273 315 HE1 HIS 38 HE1 HIS 38 -18.140 41.458 -16.616 316 HE2 HIS 38 HE2 HIS 38 -16.993 41.675 -14.360 317 H ASP 39 HN ASP 39 -11.297 39.223 -17.439 318 HA ASP 39 HA ASP 39 -11.203 41.758 -16.074 319 HB2 ASP 39 HB2 ASP 39 -9.749 39.741 -15.514 320 HB3 ASP 39 HB1 ASP 39 -8.812 40.128 -16.957 321 H TYR 40 HN TYR 40 -10.450 40.560 -19.281 322 HA TYR 40 HA TYR 40 -9.377 43.210 -20.063 323 HB2 TYR 40 HB2 TYR 40 -7.953 41.292 -20.606 324 HB3 TYR 40 HB1 TYR 40 -9.280 40.539 -21.491 325 HD1 TYR 40 HD1 TYR 40 -7.084 43.544 -21.384 326 HD2 TYR 40 HD2 TYR 40 -9.763 41.145 -23.733 327 HE1 TYR 40 HE1 TYR 40 -6.468 44.838 -23.407 328 HE2 TYR 40 HE2 TYR 40 -9.148 42.438 -25.756 329 HH TYR 40 HH TYR 40 -6.760 43.939 -26.319 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 4.519 -9.526 3.106 2 H2 GLY 1 HT2 GLY 1 3.975 -9.099 4.657 3 H3 GLY 1 HT3 GLY 1 5.633 -9.047 4.293 4 HA2 GLY 1 HA2 GLY 1 4.281 -6.859 4.325 5 HA3 GLY 1 HA1 GLY 1 5.467 -7.138 3.051 6 H SER 2 HN SER 2 4.728 -7.905 0.992 7 HA SER 2 HA SER 2 2.414 -6.611 0.039 8 HB2 SER 2 HB2 SER 2 4.077 -8.823 -1.179 9 HB3 SER 2 HB1 SER 2 2.801 -7.963 -2.034 10 HG SER 2 HG SER 2 4.022 -6.225 -2.127 11 H VAL 3 HN VAL 3 3.010 -9.944 1.045 12 HA VAL 3 HA VAL 3 0.754 -11.231 0.127 13 HB VAL 3 HB VAL 3 2.617 -12.294 1.405 14 HG11 VAL 3 HG11 VAL 3 2.691 -12.149 3.798 15 HG12 VAL 3 HG12 VAL 3 1.154 -11.291 3.860 16 HG13 VAL 3 HG13 VAL 3 2.584 -10.491 3.209 17 HG21 VAL 3 HG21 VAL 3 1.245 -13.990 2.385 18 HG22 VAL 3 HG22 VAL 3 0.297 -13.329 1.053 19 HG23 VAL 3 HG23 VAL 3 -0.056 -12.847 2.713 20 H LYS 4 HN LYS 4 1.045 -8.980 2.814 21 HA LYS 4 HA LYS 4 -1.498 -9.471 3.976 22 HB2 LYS 4 HB2 LYS 4 0.277 -7.025 4.025 23 HB3 LYS 4 HB1 LYS 4 -1.212 -7.161 4.955 24 HG2 LYS 4 HG2 LYS 4 -0.289 -9.295 5.955 25 HG3 LYS 4 HG1 LYS 4 1.249 -8.910 5.185 26 HD2 LYS 4 HD2 LYS 4 -0.185 -7.017 7.064 27 HD3 LYS 4 HD1 LYS 4 1.036 -8.168 7.601 28 HE2 LYS 4 HE2 LYS 4 2.633 -7.135 5.956 29 HE3 LYS 4 HE1 LYS 4 1.422 -5.895 5.633 30 HZ1 LYS 4 HZ1 LYS 4 2.817 -6.451 8.177 31 HZ2 LYS 4 HZ2 LYS 4 1.407 -5.507 8.104 32 HZ3 LYS 4 HZ3 LYS 4 2.809 -5.011 7.279 33 H LYS 5 HN LYS 5 -0.450 -7.648 1.222 34 HA LYS 5 HA LYS 5 -1.695 -6.729 -0.514 35 HB2 LYS 5 HB2 LYS 5 -3.450 -8.521 0.403 36 HB3 LYS 5 HB1 LYS 5 -4.280 -7.082 0.982 37 HG2 LYS 5 HG2 LYS 5 -5.212 -7.285 -1.140 38 HG3 LYS 5 HG1 LYS 5 -3.862 -6.205 -1.484 39 HD2 LYS 5 HD2 LYS 5 -2.492 -8.266 -2.063 40 HD3 LYS 5 HD1 LYS 5 -3.984 -9.199 -1.937 41 HE2 LYS 5 HE2 LYS 5 -3.563 -6.830 -3.783 42 HE3 LYS 5 HE1 LYS 5 -3.535 -8.524 -4.278 43 HZ1 LYS 5 HZ1 LYS 5 -5.836 -8.580 -3.136 44 HZ2 LYS 5 HZ2 LYS 5 -5.701 -7.927 -4.699 45 HZ3 LYS 5 HZ3 LYS 5 -5.805 -6.897 -3.351 46 H LEU 6 HN LEU 6 -1.888 -5.814 2.765 47 HA LEU 6 HA LEU 6 -3.413 -3.448 2.583 48 HB2 LEU 6 HB2 LEU 6 -1.139 -4.191 4.441 49 HB3 LEU 6 HB1 LEU 6 -2.163 -2.773 4.649 50 HG LEU 6 HG LEU 6 -3.198 -5.620 4.505 51 HD11 LEU 6 HD11 LEU 6 -2.821 -3.832 6.927 52 HD12 LEU 6 HD12 LEU 6 -1.786 -5.195 6.505 53 HD13 LEU 6 HD13 LEU 6 -3.475 -5.471 6.927 54 HD21 LEU 6 HD21 LEU 6 -5.056 -4.341 3.952 55 HD22 LEU 6 HD22 LEU 6 -4.484 -2.918 4.821 56 HD23 LEU 6 HD23 LEU 6 -5.178 -4.276 5.707 57 H ASN 7 HN ASN 7 0.009 -4.113 2.028 58 HA ASN 7 HA ASN 7 0.897 -1.460 1.725 59 HB2 ASN 7 HB2 ASN 7 2.336 -3.520 1.937 60 HB3 ASN 7 HB1 ASN 7 1.966 -3.868 0.249 61 HD21 ASN 7 HD21 ASN 7 4.098 -3.449 -0.579 62 HD22 ASN 7 HD22 ASN 7 4.797 -1.902 -0.547 63 H ASP 8 HN ASP 8 -0.517 -3.755 -0.578 64 HA ASP 8 HA ASP 8 -0.166 -2.077 -2.861 65 HB2 ASP 8 HB2 ASP 8 -0.520 -4.563 -2.937 66 HB3 ASP 8 HB1 ASP 8 -2.202 -4.282 -2.488 67 H GLU 9 HN GLU 9 -2.857 -2.673 -0.616 68 HA GLU 9 HA GLU 9 -4.799 -1.123 -1.944 69 HB2 GLU 9 HB2 GLU 9 -4.529 -1.846 0.993 70 HB3 GLU 9 HB1 GLU 9 -5.932 -1.033 0.305 71 HG2 GLU 9 HG2 GLU 9 -4.883 -3.667 -0.749 72 HG3 GLU 9 HG1 GLU 9 -6.120 -3.558 0.502 73 H VAL 10 HN VAL 10 -2.436 -0.200 0.571 74 HA VAL 10 HA VAL 10 -3.426 2.484 0.750 75 HB VAL 10 HB VAL 10 -2.223 1.344 2.593 76 HG11 VAL 10 HG11 VAL 10 -0.589 0.206 1.083 77 HG12 VAL 10 HG12 VAL 10 0.164 0.993 2.461 78 HG13 VAL 10 HG13 VAL 10 0.234 1.744 0.865 79 HG21 VAL 10 HG21 VAL 10 -0.796 3.806 1.542 80 HG22 VAL 10 HG22 VAL 10 -0.840 3.262 3.219 81 HG23 VAL 10 HG23 VAL 10 -2.316 3.829 2.437 82 H ALA 11 HN ALA 11 -0.928 0.828 -1.076 83 HA ALA 11 HA ALA 11 0.430 3.100 -2.063 84 HB1 ALA 11 HB1 ALA 11 0.033 0.389 -3.368 85 HB2 ALA 11 HB2 ALA 11 1.369 0.848 -2.310 86 HB3 ALA 11 HB3 ALA 11 1.193 1.607 -3.890 87 H LEU 12 HN LEU 12 -2.358 1.285 -3.319 88 HA LEU 12 HA LEU 12 -2.652 2.794 -5.698 89 HB2 LEU 12 HB2 LEU 12 -4.624 1.129 -4.115 90 HB3 LEU 12 HB1 LEU 12 -5.002 1.861 -5.671 91 HG LEU 12 HG LEU 12 -2.650 0.006 -5.211 92 HD11 LEU 12 HD11 LEU 12 -4.137 -1.664 -6.423 93 HD12 LEU 12 HD12 LEU 12 -5.477 -0.555 -6.130 94 HD13 LEU 12 HD13 LEU 12 -4.617 -1.278 -4.771 95 HD21 LEU 12 HD21 LEU 12 -2.172 1.119 -7.210 96 HD22 LEU 12 HD22 LEU 12 -3.869 1.358 -7.616 97 HD23 LEU 12 HD23 LEU 12 -3.126 -0.227 -7.820 98 H GLU 13 HN GLU 13 -3.915 3.203 -2.419 99 HA GLU 13 HA GLU 13 -5.741 5.284 -3.008 100 HB2 GLU 13 HB2 GLU 13 -4.237 4.539 -0.500 101 HB3 GLU 13 HB1 GLU 13 -5.410 5.855 -0.556 102 HG2 GLU 13 HG2 GLU 13 -7.182 4.359 -1.187 103 HG3 GLU 13 HG1 GLU 13 -6.057 3.031 -1.441 104 H ARG 14 HN ARG 14 -2.288 5.284 -2.234 105 HA ARG 14 HA ARG 14 -1.951 8.051 -1.901 106 HB2 ARG 14 HB2 ARG 14 -0.255 6.203 -1.430 107 HB3 ARG 14 HB1 ARG 14 0.062 6.184 -3.161 108 HG2 ARG 14 HG2 ARG 14 1.698 7.674 -2.433 109 HG3 ARG 14 HG1 ARG 14 0.398 8.788 -2.850 110 HD2 ARG 14 HD2 ARG 14 1.345 9.350 -0.654 111 HD3 ARG 14 HD1 ARG 14 -0.323 8.818 -0.473 112 HE ARG 14 HE ARG 14 0.450 6.942 0.675 113 HH11 ARG 14 HH11 ARG 14 2.097 5.698 1.631 114 HH12 ARG 14 HH12 ARG 14 3.752 6.005 1.226 115 HH21 ARG 14 HH21 ARG 14 3.009 8.566 -0.991 116 HH22 ARG 14 HH22 ARG 14 4.270 7.630 -0.261 117 H LEU 15 HN LEU 15 -1.740 6.013 -4.817 118 HA LEU 15 HA LEU 15 -1.016 8.111 -6.583 119 HB2 LEU 15 HB2 LEU 15 -2.095 5.334 -6.882 120 HB3 LEU 15 HB1 LEU 15 -2.243 6.396 -8.279 121 HG LEU 15 HG LEU 15 -0.131 5.024 -8.245 122 HD11 LEU 15 HD11 LEU 15 1.039 6.670 -9.309 123 HD12 LEU 15 HD12 LEU 15 0.871 7.821 -7.986 124 HD13 LEU 15 HD13 LEU 15 -0.454 7.584 -9.124 125 HD21 LEU 15 HD21 LEU 15 0.887 6.842 -6.071 126 HD22 LEU 15 HD22 LEU 15 1.481 5.258 -6.573 127 HD23 LEU 15 HD23 LEU 15 -0.003 5.384 -5.636 128 H LYS 16 HN LYS 16 -4.150 6.901 -5.490 129 HA LYS 16 HA LYS 16 -5.746 8.391 -7.313 130 HB2 LYS 16 HB2 LYS 16 -6.355 7.261 -4.563 131 HB3 LYS 16 HB1 LYS 16 -7.555 8.050 -5.585 132 HG2 LYS 16 HG2 LYS 16 -7.160 6.420 -7.362 133 HG3 LYS 16 HG1 LYS 16 -5.887 5.657 -6.408 134 HD2 LYS 16 HD2 LYS 16 -7.495 5.057 -4.672 135 HD3 LYS 16 HD1 LYS 16 -8.781 5.894 -5.542 136 HE2 LYS 16 HE2 LYS 16 -8.899 3.484 -5.980 137 HE3 LYS 16 HE1 LYS 16 -8.472 4.349 -7.456 138 HZ1 LYS 16 HZ1 LYS 16 -7.116 2.306 -6.887 139 HZ2 LYS 16 HZ2 LYS 16 -6.418 3.231 -5.645 140 HZ3 LYS 16 HZ3 LYS 16 -6.247 3.713 -7.266 141 H ASN 17 HN ASN 17 -4.390 9.155 -4.126 142 HA ASN 17 HA ASN 17 -5.743 11.610 -3.748 143 HB2 ASN 17 HB2 ASN 17 -3.128 10.524 -2.698 144 HB3 ASN 17 HB1 ASN 17 -3.798 12.074 -2.191 145 HD21 ASN 17 HD21 ASN 17 -3.451 9.696 -0.467 146 HD22 ASN 17 HD22 ASN 17 -5.005 9.264 0.063 147 H GLU 18 HN GLU 18 -2.700 10.749 -5.324 148 HA GLU 18 HA GLU 18 -1.735 13.376 -5.748 149 HB2 GLU 18 HB2 GLU 18 -0.350 11.318 -6.048 150 HB3 GLU 18 HB1 GLU 18 -1.276 10.938 -7.501 151 HG2 GLU 18 HG2 GLU 18 0.786 12.056 -8.146 152 HG3 GLU 18 HG1 GLU 18 -0.565 13.139 -8.469 153 H ARG 19 HN ARG 19 -3.770 11.259 -7.754 154 HA ARG 19 HA ARG 19 -3.960 13.014 -9.966 155 HB2 ARG 19 HB2 ARG 19 -5.827 10.829 -9.003 156 HB3 ARG 19 HB1 ARG 19 -6.025 11.691 -10.530 157 HG2 ARG 19 HG2 ARG 19 -3.651 11.010 -11.111 158 HG3 ARG 19 HG1 ARG 19 -3.686 9.961 -9.693 159 HD2 ARG 19 HD2 ARG 19 -5.648 9.837 -11.999 160 HD3 ARG 19 HD1 ARG 19 -4.290 8.740 -11.765 161 HE ARG 19 HE ARG 19 -5.788 8.663 -9.418 162 HH11 ARG 19 HH11 ARG 19 -7.348 7.043 -9.098 163 HH12 ARG 19 HH12 ARG 19 -8.020 6.215 -10.461 164 HH21 ARG 19 HH21 ARG 19 -6.162 7.993 -12.789 165 HH22 ARG 19 HH22 ARG 19 -7.348 6.752 -12.553 166 H HIS 20 HN HIS 20 -5.885 12.670 -7.030 167 HA HIS 20 HA HIS 20 -7.987 14.401 -7.720 168 HB2 HIS 20 HB2 HIS 20 -8.005 12.892 -5.754 169 HB3 HIS 20 HB1 HIS 20 -6.807 13.926 -4.974 170 HD2 HIS 20 HD2 HIS 20 -10.637 13.939 -5.783 171 HE1 HIS 20 HE1 HIS 20 -9.752 17.483 -3.664 172 HE2 HIS 20 HE2 HIS 20 -11.626 16.043 -4.593 173 H VAL 21 HN VAL 21 -4.867 15.070 -6.138 174 HA VAL 21 HA VAL 21 -5.305 17.801 -5.662 175 HB VAL 21 HB VAL 21 -2.802 16.146 -6.031 176 HG11 VAL 21 HG11 VAL 21 -3.157 19.071 -5.403 177 HG12 VAL 21 HG12 VAL 21 -2.126 18.330 -6.624 178 HG13 VAL 21 HG13 VAL 21 -1.714 18.182 -4.919 179 HG21 VAL 21 HG21 VAL 21 -2.650 16.260 -3.636 180 HG22 VAL 21 HG22 VAL 21 -4.320 15.823 -3.989 181 HG23 VAL 21 HG23 VAL 21 -3.918 17.480 -3.547 182 H HIS 22 HN HIS 22 -3.802 16.070 -8.380 183 HA HIS 22 HA HIS 22 -3.074 18.348 -9.867 184 HB2 HIS 22 HB2 HIS 22 -2.146 16.157 -10.387 185 HB3 HIS 22 HB1 HIS 22 -3.733 15.552 -10.851 186 HD2 HIS 22 HD2 HIS 22 -4.345 16.004 -13.518 187 HE1 HIS 22 HE1 HIS 22 -1.363 18.888 -14.307 188 HE2 HIS 22 HE2 HIS 22 -3.209 17.485 -15.345 189 H ASP 23 HN ASP 23 -6.081 16.476 -9.767 190 HA ASP 23 HA ASP 23 -7.372 17.691 -11.958 191 HB2 ASP 23 HB2 ASP 23 -8.453 16.442 -9.419 192 HB3 ASP 23 HB1 ASP 23 -9.476 16.979 -10.751 193 H GLU 24 HN GLU 24 -7.186 18.580 -8.530 194 HA GLU 24 HA GLU 24 -9.034 20.722 -8.651 195 HB2 GLU 24 HB2 GLU 24 -8.316 19.734 -6.506 196 HB3 GLU 24 HB1 GLU 24 -6.697 20.387 -6.735 197 HG2 GLU 24 HG2 GLU 24 -7.606 22.672 -6.758 198 HG3 GLU 24 HG1 GLU 24 -9.238 22.029 -6.569 199 H GLU 25 HN GLU 25 -5.537 20.559 -9.199 200 HA GLU 25 HA GLU 25 -5.070 23.346 -9.415 201 HB2 GLU 25 HB2 GLU 25 -3.264 21.680 -9.175 202 HB3 GLU 25 HB1 GLU 25 -3.602 21.067 -10.788 203 HG2 GLU 25 HG2 GLU 25 -3.082 23.272 -11.752 204 HG3 GLU 25 HG1 GLU 25 -2.768 23.904 -10.137 205 H VAL 26 HN VAL 26 -6.120 20.941 -11.799 206 HA VAL 26 HA VAL 26 -5.947 22.664 -14.060 207 HB VAL 26 HB VAL 26 -7.450 20.076 -13.570 208 HG11 VAL 26 HG11 VAL 26 -7.731 20.152 -16.129 209 HG12 VAL 26 HG12 VAL 26 -7.414 21.884 -15.993 210 HG13 VAL 26 HG13 VAL 26 -8.808 21.175 -15.178 211 HG21 VAL 26 HG21 VAL 26 -5.267 20.570 -15.604 212 HG22 VAL 26 HG22 VAL 26 -5.721 19.067 -14.808 213 HG23 VAL 26 HG23 VAL 26 -4.827 20.296 -13.921 214 H GLU 27 HN GLU 27 -8.525 21.843 -11.781 215 HA GLU 27 HA GLU 27 -10.625 23.183 -13.095 216 HB2 GLU 27 HB2 GLU 27 -10.951 21.620 -11.210 217 HB3 GLU 27 HB1 GLU 27 -10.226 22.803 -10.121 218 HG2 GLU 27 HG2 GLU 27 -11.996 24.412 -10.635 219 HG3 GLU 27 HG1 GLU 27 -12.694 23.297 -11.808 220 H LEU 28 HN LEU 28 -8.256 24.354 -10.708 221 HA LEU 28 HA LEU 28 -9.351 26.927 -10.440 222 HB2 LEU 28 HB2 LEU 28 -7.765 26.036 -8.815 223 HB3 LEU 28 HB1 LEU 28 -6.501 25.961 -10.036 224 HG LEU 28 HG LEU 28 -6.653 28.403 -10.324 225 HD11 LEU 28 HD11 LEU 28 -7.923 29.554 -8.304 226 HD12 LEU 28 HD12 LEU 28 -8.869 28.065 -8.327 227 HD13 LEU 28 HD13 LEU 28 -8.800 29.091 -9.760 228 HD21 LEU 28 HD21 LEU 28 -6.225 27.475 -7.472 229 HD22 LEU 28 HD22 LEU 28 -5.645 29.003 -8.134 230 HD23 LEU 28 HD23 LEU 28 -5.018 27.479 -8.760 231 H GLU 29 HN GLU 29 -6.966 25.560 -12.682 232 HA GLU 29 HA GLU 29 -6.153 27.980 -13.873 233 HB2 GLU 29 HB2 GLU 29 -4.998 25.791 -14.176 234 HB3 GLU 29 HB1 GLU 29 -6.339 25.253 -15.190 235 HG2 GLU 29 HG2 GLU 29 -4.833 27.803 -15.789 236 HG3 GLU 29 HG1 GLU 29 -4.258 26.241 -16.359 237 H ARG 30 HN ARG 30 -8.775 25.736 -14.676 238 HA ARG 30 HA ARG 30 -9.653 27.059 -17.008 239 HB2 ARG 30 HB2 ARG 30 -10.342 24.766 -16.398 240 HB3 ARG 30 HB1 ARG 30 -11.284 25.421 -15.057 241 HG2 ARG 30 HG2 ARG 30 -12.702 26.666 -16.581 242 HG3 ARG 30 HG1 ARG 30 -11.693 26.209 -17.954 243 HD2 ARG 30 HD2 ARG 30 -13.182 24.234 -16.205 244 HD3 ARG 30 HD1 ARG 30 -13.776 24.831 -17.752 245 HE ARG 30 HE ARG 30 -11.194 23.825 -18.170 246 HH11 ARG 30 HH11 ARG 30 -10.922 21.729 -19.001 247 HH12 ARG 30 HH12 ARG 30 -12.204 20.573 -18.856 248 HH21 ARG 30 HH21 ARG 30 -14.339 22.753 -17.209 249 HH22 ARG 30 HH22 ARG 30 -14.139 21.152 -17.841 250 H LEU 31 HN LEU 31 -10.530 27.446 -13.597 251 HA LEU 31 HA LEU 31 -12.679 29.211 -13.938 252 HB2 LEU 31 HB2 LEU 31 -12.159 28.144 -11.780 253 HB3 LEU 31 HB1 LEU 31 -10.680 29.093 -11.664 254 HG LEU 31 HG LEU 31 -12.021 31.180 -11.651 255 HD11 LEU 31 HD11 LEU 31 -13.999 30.762 -12.830 256 HD12 LEU 31 HD12 LEU 31 -14.568 30.736 -11.164 257 HD13 LEU 31 HD13 LEU 31 -14.281 29.221 -12.020 258 HD21 LEU 31 HD21 LEU 31 -13.096 30.803 -9.411 259 HD22 LEU 31 HD22 LEU 31 -11.441 30.201 -9.511 260 HD23 LEU 31 HD23 LEU 31 -12.796 29.077 -9.611 261 H LYS 32 HN LYS 32 -9.208 29.784 -13.768 262 HA LYS 32 HA LYS 32 -9.245 32.577 -13.578 263 HB2 LYS 32 HB2 LYS 32 -7.254 30.727 -14.908 264 HB3 LYS 32 HB1 LYS 32 -6.962 32.440 -14.612 265 HG2 LYS 32 HG2 LYS 32 -7.779 30.614 -12.351 266 HG3 LYS 32 HG1 LYS 32 -6.098 30.698 -12.869 267 HD2 LYS 32 HD2 LYS 32 -6.177 33.186 -12.537 268 HD3 LYS 32 HD1 LYS 32 -7.794 33.006 -11.858 269 HE2 LYS 32 HE2 LYS 32 -6.173 33.046 -10.033 270 HE3 LYS 32 HE1 LYS 32 -6.861 31.426 -10.158 271 HZ1 LYS 32 HZ1 LYS 32 -4.409 31.465 -9.927 272 HZ2 LYS 32 HZ2 LYS 32 -4.310 32.246 -11.432 273 HZ3 LYS 32 HZ3 LYS 32 -4.946 30.674 -11.328 274 H ASN 33 HN ASN 33 -10.133 30.538 -16.194 275 HA ASN 33 HA ASN 33 -9.521 32.069 -18.426 276 HB2 ASN 33 HB2 ASN 33 -11.220 30.837 -19.535 277 HB3 ASN 33 HB1 ASN 33 -10.531 29.742 -18.360 278 HD21 ASN 33 HD21 ASN 33 -13.177 29.336 -19.367 279 HD22 ASN 33 HD22 ASN 33 -14.279 29.607 -18.103 280 H GLU 34 HN GLU 34 -11.813 32.630 -15.895 281 HA GLU 34 HA GLU 34 -13.668 34.279 -17.222 282 HB2 GLU 34 HB2 GLU 34 -12.720 34.241 -14.351 283 HB3 GLU 34 HB1 GLU 34 -14.039 35.263 -14.920 284 HG2 GLU 34 HG2 GLU 34 -15.293 33.306 -15.656 285 HG3 GLU 34 HG1 GLU 34 -13.950 32.250 -15.226 286 H ARG 35 HN ARG 35 -10.549 34.972 -15.727 287 HA ARG 35 HA ARG 35 -10.667 37.787 -15.927 288 HB2 ARG 35 HB2 ARG 35 -8.992 36.632 -14.524 289 HB3 ARG 35 HB1 ARG 35 -8.191 36.024 -15.969 290 HG2 ARG 35 HG2 ARG 35 -7.752 38.327 -16.713 291 HG3 ARG 35 HG1 ARG 35 -8.586 38.950 -15.288 292 HD2 ARG 35 HD2 ARG 35 -6.954 37.804 -13.834 293 HD3 ARG 35 HD1 ARG 35 -6.114 37.195 -15.257 294 HE ARG 35 HE ARG 35 -6.023 39.906 -14.215 295 HH11 ARG 35 HH11 ARG 35 -4.557 41.281 -15.261 296 HH12 ARG 35 HH12 ARG 35 -3.854 40.806 -16.771 297 HH21 ARG 35 HH21 ARG 35 -5.529 37.771 -16.894 298 HH22 ARG 35 HH22 ARG 35 -4.405 38.817 -17.696 299 H HIS 36 HN HIS 36 -9.607 35.284 -18.205 300 HA HIS 36 HA HIS 36 -8.509 37.032 -20.140 301 HB2 HIS 36 HB2 HIS 36 -9.690 34.250 -20.438 302 HB3 HIS 36 HB1 HIS 36 -8.829 35.110 -21.712 303 HD2 HIS 36 HD2 HIS 36 -6.102 35.996 -20.628 304 HE1 HIS 36 HE1 HIS 36 -5.837 32.464 -18.329 305 HE2 HIS 36 HE2 HIS 36 -4.520 34.421 -19.274 306 H ASP 37 HN ASP 37 -11.785 35.819 -19.587 307 HA ASP 37 HA ASP 37 -12.894 36.873 -21.991 308 HB2 ASP 37 HB2 ASP 37 -13.965 35.051 -20.669 309 HB3 ASP 37 HB1 ASP 37 -14.352 36.219 -19.411 310 H HIS 38 HN HIS 38 -12.478 38.148 -18.724 311 HA HIS 38 HA HIS 38 -14.076 40.484 -19.115 312 HB2 HIS 38 HB2 HIS 38 -13.530 39.594 -16.871 313 HB3 HIS 38 HB1 HIS 38 -11.834 40.011 -17.128 314 HD2 HIS 38 HD2 HIS 38 -11.230 42.589 -16.362 315 HE1 HIS 38 HE1 HIS 38 -15.166 44.112 -16.280 316 HE2 HIS 38 HE2 HIS 38 -12.730 44.650 -15.802 317 H ASP 39 HN ASP 39 -10.838 39.600 -19.936 318 HA ASP 39 HA ASP 39 -9.683 42.169 -20.148 319 HB2 ASP 39 HB2 ASP 39 -8.389 40.028 -20.253 320 HB3 ASP 39 HB1 ASP 39 -9.037 39.758 -21.871 321 H TYR 40 HN TYR 40 -11.918 40.416 -22.200 322 HA TYR 40 HA TYR 40 -12.544 42.767 -23.692 323 HB2 TYR 40 HB2 TYR 40 -10.396 42.209 -24.784 324 HB3 TYR 40 HB1 TYR 40 -11.019 40.606 -25.167 325 HD1 TYR 40 HD1 TYR 40 -11.584 44.246 -25.713 326 HD2 TYR 40 HD2 TYR 40 -12.434 40.254 -27.051 327 HE1 TYR 40 HE1 TYR 40 -12.658 45.160 -27.751 328 HE2 TYR 40 HE2 TYR 40 -13.510 41.169 -29.092 329 HH TYR 40 HH TYR 40 -13.975 44.651 -29.519 Start of MODEL 16 1 H1 GLY 1 HT1 GLY 1 0.544 -5.177 8.025 2 H2 GLY 1 HT2 GLY 1 1.363 -5.819 9.369 3 H3 GLY 1 HT3 GLY 1 0.063 -6.667 8.677 4 HA2 GLY 1 HA2 GLY 1 2.819 -6.719 7.984 5 HA3 GLY 1 HA1 GLY 1 1.517 -7.787 7.459 6 H SER 2 HN SER 2 3.739 -5.573 6.402 7 HA SER 2 HA SER 2 2.344 -4.062 4.478 8 HB2 SER 2 HB2 SER 2 4.643 -3.535 5.135 9 HB3 SER 2 HB1 SER 2 5.206 -5.052 4.441 10 HG SER 2 HG SER 2 4.691 -2.691 3.238 11 H VAL 3 HN VAL 3 3.969 -7.215 4.252 12 HA VAL 3 HA VAL 3 3.349 -7.592 1.484 13 HB VAL 3 HB VAL 3 4.106 -9.893 1.854 14 HG11 VAL 3 HG11 VAL 3 5.748 -7.996 1.660 15 HG12 VAL 3 HG12 VAL 3 6.366 -9.379 2.564 16 HG13 VAL 3 HG13 VAL 3 5.814 -7.940 3.422 17 HG21 VAL 3 HG21 VAL 3 3.137 -10.444 3.965 18 HG22 VAL 3 HG22 VAL 3 3.897 -9.063 4.757 19 HG23 VAL 3 HG23 VAL 3 4.879 -10.434 4.240 20 H LYS 4 HN LYS 4 1.698 -8.195 4.483 21 HA LYS 4 HA LYS 4 -0.131 -10.167 3.636 22 HB2 LYS 4 HB2 LYS 4 0.158 -9.553 6.009 23 HB3 LYS 4 HB1 LYS 4 -0.561 -7.974 5.685 24 HG2 LYS 4 HG2 LYS 4 -2.666 -9.025 5.032 25 HG3 LYS 4 HG1 LYS 4 -1.955 -10.627 5.237 26 HD2 LYS 4 HD2 LYS 4 -1.576 -10.153 7.630 27 HD3 LYS 4 HD1 LYS 4 -2.291 -8.553 7.424 28 HE2 LYS 4 HE2 LYS 4 -3.738 -11.150 6.831 29 HE3 LYS 4 HE1 LYS 4 -3.901 -10.244 8.336 30 HZ1 LYS 4 HZ1 LYS 4 -4.285 -8.352 6.453 31 HZ2 LYS 4 HZ2 LYS 4 -5.524 -9.176 7.270 32 HZ3 LYS 4 HZ3 LYS 4 -5.015 -9.706 5.738 33 H LYS 5 HN LYS 5 -0.388 -6.615 3.617 34 HA LYS 5 HA LYS 5 -2.885 -6.776 2.068 35 HB2 LYS 5 HB2 LYS 5 -3.070 -4.390 2.474 36 HB3 LYS 5 HB1 LYS 5 -2.742 -5.218 3.995 37 HG2 LYS 5 HG2 LYS 5 -0.327 -4.668 3.746 38 HG3 LYS 5 HG1 LYS 5 -0.702 -3.770 2.273 39 HD2 LYS 5 HD2 LYS 5 -2.201 -2.288 3.544 40 HD3 LYS 5 HD1 LYS 5 -1.823 -3.174 5.023 41 HE2 LYS 5 HE2 LYS 5 0.558 -2.579 4.773 42 HE3 LYS 5 HE1 LYS 5 0.179 -1.688 3.299 43 HZ1 LYS 5 HZ1 LYS 5 -0.236 0.053 4.579 44 HZ2 LYS 5 HZ2 LYS 5 -0.067 -0.865 5.998 45 HZ3 LYS 5 HZ3 LYS 5 -1.574 -0.770 5.218 46 H LEU 6 HN LEU 6 0.387 -6.682 1.501 47 HA LEU 6 HA LEU 6 1.660 -6.334 -0.360 48 HB2 LEU 6 HB2 LEU 6 -0.938 -7.075 -1.335 49 HB3 LEU 6 HB1 LEU 6 -0.333 -5.806 -2.388 50 HG LEU 6 HG LEU 6 0.347 -7.987 -3.237 51 HD11 LEU 6 HD11 LEU 6 2.017 -5.833 -2.947 52 HD12 LEU 6 HD12 LEU 6 2.434 -7.293 -3.838 53 HD13 LEU 6 HD13 LEU 6 2.976 -7.098 -2.175 54 HD21 LEU 6 HD21 LEU 6 1.295 -9.667 -1.979 55 HD22 LEU 6 HD22 LEU 6 0.429 -8.862 -0.676 56 HD23 LEU 6 HD23 LEU 6 2.147 -8.554 -0.914 57 H ASN 7 HN ASN 7 2.639 -4.649 -1.368 58 HA ASN 7 HA ASN 7 1.865 -2.008 -0.546 59 HB2 ASN 7 HB2 ASN 7 4.234 -2.754 -0.705 60 HB3 ASN 7 HB1 ASN 7 4.056 -2.826 -2.458 61 HD21 ASN 7 HD21 ASN 7 4.546 -0.678 0.249 62 HD22 ASN 7 HD22 ASN 7 4.583 0.762 -0.650 63 H ASP 8 HN ASP 8 1.132 -3.982 -3.215 64 HA ASP 8 HA ASP 8 0.973 -2.151 -5.327 65 HB2 ASP 8 HB2 ASP 8 -0.674 -4.602 -4.680 66 HB3 ASP 8 HB1 ASP 8 -0.847 -3.701 -6.183 67 H GLU 9 HN GLU 9 -1.363 -2.932 -2.780 68 HA GLU 9 HA GLU 9 -3.465 -1.300 -3.775 69 HB2 GLU 9 HB2 GLU 9 -2.904 -2.349 -0.981 70 HB3 GLU 9 HB1 GLU 9 -4.343 -1.432 -1.406 71 HG2 GLU 9 HG2 GLU 9 -4.967 -3.718 -1.603 72 HG3 GLU 9 HG1 GLU 9 -4.734 -3.158 -3.255 73 H VAL 10 HN VAL 10 -0.738 -0.658 -1.598 74 HA VAL 10 HA VAL 10 -1.573 1.899 -0.797 75 HB VAL 10 HB VAL 10 1.163 0.589 -0.884 76 HG11 VAL 10 HG11 VAL 10 1.571 2.915 -0.985 77 HG12 VAL 10 HG12 VAL 10 1.725 2.472 0.713 78 HG13 VAL 10 HG13 VAL 10 0.262 3.270 0.137 79 HG21 VAL 10 HG21 VAL 10 0.812 0.228 1.446 80 HG22 VAL 10 HG22 VAL 10 -0.680 -0.280 0.654 81 HG23 VAL 10 HG23 VAL 10 -0.603 1.282 1.470 82 H ALA 11 HN ALA 11 0.326 0.719 -3.551 83 HA ALA 11 HA ALA 11 1.219 3.233 -4.487 84 HB1 ALA 11 HB1 ALA 11 2.120 1.060 -5.295 85 HB2 ALA 11 HB2 ALA 11 1.617 2.114 -6.614 86 HB3 ALA 11 HB3 ALA 11 0.592 0.765 -6.130 87 H LEU 12 HN LEU 12 -1.729 1.376 -5.135 88 HA LEU 12 HA LEU 12 -2.766 3.084 -7.134 89 HB2 LEU 12 HB2 LEU 12 -4.126 1.167 -5.225 90 HB3 LEU 12 HB1 LEU 12 -4.975 2.019 -6.506 91 HG LEU 12 HG LEU 12 -2.539 0.278 -6.991 92 HD11 LEU 12 HD11 LEU 12 -4.442 -1.012 -6.011 93 HD12 LEU 12 HD12 LEU 12 -4.086 -1.482 -7.672 94 HD13 LEU 12 HD13 LEU 12 -5.467 -0.441 -7.328 95 HD21 LEU 12 HD21 LEU 12 -3.795 0.247 -9.331 96 HD22 LEU 12 HD22 LEU 12 -2.773 1.611 -8.905 97 HD23 LEU 12 HD23 LEU 12 -4.522 1.737 -8.738 98 H GLU 13 HN GLU 13 -3.037 3.126 -3.597 99 HA GLU 13 HA GLU 13 -5.026 5.122 -3.423 100 HB2 GLU 13 HB2 GLU 13 -4.348 3.658 -1.544 101 HB3 GLU 13 HB1 GLU 13 -2.800 4.498 -1.470 102 HG2 GLU 13 HG2 GLU 13 -3.945 6.614 -0.993 103 HG3 GLU 13 HG1 GLU 13 -5.509 5.813 -1.129 104 H ARG 14 HN ARG 14 -1.484 5.292 -3.553 105 HA ARG 14 HA ARG 14 -1.245 8.069 -3.098 106 HB2 ARG 14 HB2 ARG 14 0.523 6.123 -4.587 107 HB3 ARG 14 HB1 ARG 14 0.970 7.800 -4.272 108 HG2 ARG 14 HG2 ARG 14 0.748 7.435 -1.860 109 HG3 ARG 14 HG1 ARG 14 0.223 5.775 -2.141 110 HD2 ARG 14 HD2 ARG 14 2.593 5.779 -1.571 111 HD3 ARG 14 HD1 ARG 14 2.401 5.312 -3.259 112 HE ARG 14 HE ARG 14 2.772 8.118 -3.085 113 HH11 ARG 14 HH11 ARG 14 4.803 8.960 -3.644 114 HH12 ARG 14 HH12 ARG 14 6.192 7.926 -3.650 115 HH21 ARG 14 HH21 ARG 14 4.425 5.106 -2.676 116 HH22 ARG 14 HH22 ARG 14 5.979 5.743 -3.101 117 H LEU 15 HN LEU 15 -1.702 6.189 -6.063 118 HA LEU 15 HA LEU 15 -1.381 8.327 -7.883 119 HB2 LEU 15 HB2 LEU 15 -2.906 5.719 -8.102 120 HB3 LEU 15 HB1 LEU 15 -2.728 6.846 -9.439 121 HG LEU 15 HG LEU 15 -0.391 5.672 -7.902 122 HD11 LEU 15 HD11 LEU 15 -1.368 4.834 -10.643 123 HD12 LEU 15 HD12 LEU 15 -1.820 3.978 -9.168 124 HD13 LEU 15 HD13 LEU 15 -0.128 4.062 -9.656 125 HD21 LEU 15 HD21 LEU 15 -0.686 7.519 -10.259 126 HD22 LEU 15 HD22 LEU 15 0.645 6.368 -10.283 127 HD23 LEU 15 HD23 LEU 15 0.512 7.528 -8.967 128 H LYS 16 HN LYS 16 -4.175 7.134 -6.075 129 HA LYS 16 HA LYS 16 -6.149 8.687 -7.406 130 HB2 LYS 16 HB2 LYS 16 -6.081 7.489 -4.616 131 HB3 LYS 16 HB1 LYS 16 -7.484 8.303 -5.300 132 HG2 LYS 16 HG2 LYS 16 -7.563 6.708 -7.141 133 HG3 LYS 16 HG1 LYS 16 -6.093 5.926 -6.560 134 HD2 LYS 16 HD2 LYS 16 -7.216 5.306 -4.472 135 HD3 LYS 16 HD1 LYS 16 -8.682 6.134 -4.996 136 HE2 LYS 16 HE2 LYS 16 -8.887 3.728 -5.414 137 HE3 LYS 16 HE1 LYS 16 -8.825 4.601 -6.946 138 HZ1 LYS 16 HZ1 LYS 16 -6.213 3.961 -6.065 139 HZ2 LYS 16 HZ2 LYS 16 -6.995 3.517 -7.506 140 HZ3 LYS 16 HZ3 LYS 16 -7.162 2.557 -6.114 141 H ASN 17 HN ASN 17 -4.049 9.339 -4.618 142 HA ASN 17 HA ASN 17 -5.245 11.787 -3.861 143 HB2 ASN 17 HB2 ASN 17 -3.678 10.471 -2.444 144 HB3 ASN 17 HB1 ASN 17 -2.364 10.931 -3.525 145 HD21 ASN 17 HD21 ASN 17 -1.199 12.646 -2.671 146 HD22 ASN 17 HD22 ASN 17 -1.863 13.932 -1.784 147 H GLU 18 HN GLU 18 -2.636 10.969 -6.101 148 HA GLU 18 HA GLU 18 -1.810 13.616 -6.683 149 HB2 GLU 18 HB2 GLU 18 -0.489 11.616 -7.326 150 HB3 GLU 18 HB1 GLU 18 -1.723 11.207 -8.521 151 HG2 GLU 18 HG2 GLU 18 -1.325 13.323 -9.693 152 HG3 GLU 18 HG1 GLU 18 -0.143 13.795 -8.473 153 H ARG 19 HN ARG 19 -4.257 11.529 -8.145 154 HA ARG 19 HA ARG 19 -4.957 13.203 -10.300 155 HB2 ARG 19 HB2 ARG 19 -5.703 10.841 -10.094 156 HB3 ARG 19 HB1 ARG 19 -6.775 11.317 -8.776 157 HG2 ARG 19 HG2 ARG 19 -7.993 12.823 -10.270 158 HG3 ARG 19 HG1 ARG 19 -6.886 12.438 -11.590 159 HD2 ARG 19 HD2 ARG 19 -7.575 10.074 -11.484 160 HD3 ARG 19 HD1 ARG 19 -8.676 10.450 -10.162 161 HE ARG 19 HE ARG 19 -10.150 11.388 -11.709 162 HH11 ARG 19 HH11 ARG 19 -10.831 11.799 -13.838 163 HH12 ARG 19 HH12 ARG 19 -9.700 11.670 -15.142 164 HH21 ARG 19 HH21 ARG 19 -7.041 10.783 -13.100 165 HH22 ARG 19 HH22 ARG 19 -7.554 11.095 -14.725 166 H HIS 20 HN HIS 20 -6.193 13.043 -6.971 167 HA HIS 20 HA HIS 20 -8.237 14.964 -7.280 168 HB2 HIS 20 HB2 HIS 20 -6.649 14.046 -4.880 169 HB3 HIS 20 HB1 HIS 20 -7.940 15.241 -4.757 170 HD2 HIS 20 HD2 HIS 20 -10.525 14.169 -4.815 171 HE1 HIS 20 HE1 HIS 20 -9.434 10.188 -5.697 172 HE2 HIS 20 HE2 HIS 20 -11.367 11.712 -5.077 173 H VAL 21 HN VAL 21 -4.801 15.300 -6.413 174 HA VAL 21 HA VAL 21 -4.869 18.057 -5.849 175 HB VAL 21 HB VAL 21 -2.669 16.195 -6.778 176 HG11 VAL 21 HG11 VAL 21 -1.196 18.138 -5.935 177 HG12 VAL 21 HG12 VAL 21 -2.633 19.137 -6.136 178 HG13 VAL 21 HG13 VAL 21 -1.939 18.300 -7.523 179 HG21 VAL 21 HG21 VAL 21 -3.396 17.464 -4.116 180 HG22 VAL 21 HG22 VAL 21 -1.891 16.595 -4.409 181 HG23 VAL 21 HG23 VAL 21 -3.429 15.745 -4.510 182 H HIS 22 HN HIS 22 -4.204 16.202 -8.795 183 HA HIS 22 HA HIS 22 -3.638 18.374 -10.486 184 HB2 HIS 22 HB2 HIS 22 -3.168 15.987 -11.030 185 HB3 HIS 22 HB1 HIS 22 -4.890 15.721 -11.266 186 HD2 HIS 22 HD2 HIS 22 -1.883 17.387 -13.109 187 HE1 HIS 22 HE1 HIS 22 -5.289 17.813 -15.566 188 HE2 HIS 22 HE2 HIS 22 -2.769 18.103 -15.458 189 H ASP 23 HN ASP 23 -6.689 16.855 -9.541 190 HA ASP 23 HA ASP 23 -8.364 18.190 -11.377 191 HB2 ASP 23 HB2 ASP 23 -8.894 17.072 -8.615 192 HB3 ASP 23 HB1 ASP 23 -10.155 17.725 -9.660 193 H GLU 24 HN GLU 24 -7.173 19.066 -8.156 194 HA GLU 24 HA GLU 24 -8.749 21.391 -7.829 195 HB2 GLU 24 HB2 GLU 24 -7.556 20.366 -5.940 196 HB3 GLU 24 HB1 GLU 24 -6.009 20.813 -6.649 197 HG2 GLU 24 HG2 GLU 24 -6.621 23.193 -6.512 198 HG3 GLU 24 HG1 GLU 24 -8.187 22.755 -5.832 199 H GLU 25 HN GLU 25 -5.547 20.914 -9.311 200 HA GLU 25 HA GLU 25 -4.982 23.653 -9.798 201 HB2 GLU 25 HB2 GLU 25 -4.025 21.067 -11.030 202 HB3 GLU 25 HB1 GLU 25 -3.546 22.614 -11.726 203 HG2 GLU 25 HG2 GLU 25 -1.862 21.905 -10.131 204 HG3 GLU 25 HG1 GLU 25 -2.699 23.310 -9.484 205 H VAL 26 HN VAL 26 -6.838 21.270 -11.612 206 HA VAL 26 HA VAL 26 -7.153 22.786 -13.982 207 HB VAL 26 HB VAL 26 -8.840 20.566 -12.785 208 HG11 VAL 26 HG11 VAL 26 -9.168 22.140 -15.348 209 HG12 VAL 26 HG12 VAL 26 -10.381 21.808 -14.110 210 HG13 VAL 26 HG13 VAL 26 -9.822 20.512 -15.165 211 HG21 VAL 26 HG21 VAL 26 -7.912 19.426 -14.942 212 HG22 VAL 26 HG22 VAL 26 -6.795 19.628 -13.604 213 HG23 VAL 26 HG23 VAL 26 -6.741 20.740 -14.971 214 H GLU 27 HN GLU 27 -8.997 22.589 -10.969 215 HA GLU 27 HA GLU 27 -11.194 24.171 -11.750 216 HB2 GLU 27 HB2 GLU 27 -11.128 22.855 -9.664 217 HB3 GLU 27 HB1 GLU 27 -9.917 23.958 -9.013 218 HG2 GLU 27 HG2 GLU 27 -11.483 25.823 -9.141 219 HG3 GLU 27 HG1 GLU 27 -12.687 24.795 -9.917 220 H LEU 28 HN LEU 28 -8.102 25.118 -10.235 221 HA LEU 28 HA LEU 28 -8.712 27.896 -10.148 222 HB2 LEU 28 HB2 LEU 28 -6.208 26.263 -9.855 223 HB3 LEU 28 HB1 LEU 28 -6.053 28.003 -10.090 224 HG LEU 28 HG LEU 28 -7.532 28.392 -8.151 225 HD11 LEU 28 HD11 LEU 28 -8.073 26.424 -6.689 226 HD12 LEU 28 HD12 LEU 28 -7.498 25.367 -7.975 227 HD13 LEU 28 HD13 LEU 28 -8.906 26.392 -8.242 228 HD21 LEU 28 HD21 LEU 28 -5.060 28.183 -7.871 229 HD22 LEU 28 HD22 LEU 28 -5.270 26.468 -7.521 230 HD23 LEU 28 HD23 LEU 28 -5.946 27.679 -6.432 231 H GLU 29 HN GLU 29 -7.166 25.828 -12.565 232 HA GLU 29 HA GLU 29 -6.245 27.894 -14.259 233 HB2 GLU 29 HB2 GLU 29 -5.475 25.547 -14.453 234 HB3 GLU 29 HB1 GLU 29 -7.083 25.075 -15.004 235 HG2 GLU 29 HG2 GLU 29 -5.596 25.377 -16.920 236 HG3 GLU 29 HG1 GLU 29 -6.851 26.608 -16.943 237 H ARG 30 HN ARG 30 -9.303 26.096 -14.143 238 HA ARG 30 HA ARG 30 -10.452 27.148 -16.481 239 HB2 ARG 30 HB2 ARG 30 -11.353 25.223 -15.161 240 HB3 ARG 30 HB1 ARG 30 -11.903 26.372 -13.941 241 HG2 ARG 30 HG2 ARG 30 -13.246 27.537 -15.698 242 HG3 ARG 30 HG1 ARG 30 -12.760 26.293 -16.850 243 HD2 ARG 30 HD2 ARG 30 -14.925 25.681 -15.974 244 HD3 ARG 30 HD1 ARG 30 -13.733 24.576 -15.294 245 HE ARG 30 HE ARG 30 -14.118 26.820 -13.577 246 HH11 ARG 30 HH11 ARG 30 -15.308 26.486 -11.673 247 HH12 ARG 30 HH12 ARG 30 -16.325 25.092 -11.527 248 HH21 ARG 30 HH21 ARG 30 -15.558 23.875 -14.682 249 HH22 ARG 30 HH22 ARG 30 -16.467 23.613 -13.232 250 H LEU 31 HN LEU 31 -10.532 28.322 -13.114 251 HA LEU 31 HA LEU 31 -12.272 30.497 -13.569 252 HB2 LEU 31 HB2 LEU 31 -11.717 29.707 -11.313 253 HB3 LEU 31 HB1 LEU 31 -10.044 30.210 -11.536 254 HG LEU 31 HG LEU 31 -10.777 32.561 -11.784 255 HD11 LEU 31 HD11 LEU 31 -13.496 31.279 -11.580 256 HD12 LEU 31 HD12 LEU 31 -12.938 32.541 -12.678 257 HD13 LEU 31 HD13 LEU 31 -13.269 32.927 -10.994 258 HD21 LEU 31 HD21 LEU 31 -10.292 31.457 -9.528 259 HD22 LEU 31 HD22 LEU 31 -12.040 31.376 -9.304 260 HD23 LEU 31 HD23 LEU 31 -11.244 32.941 -9.477 261 H LYS 32 HN LYS 32 -8.725 30.276 -13.635 262 HA LYS 32 HA LYS 32 -8.247 32.995 -14.209 263 HB2 LYS 32 HB2 LYS 32 -6.602 30.510 -14.747 264 HB3 LYS 32 HB1 LYS 32 -6.030 32.141 -15.090 265 HG2 LYS 32 HG2 LYS 32 -6.102 32.764 -12.802 266 HG3 LYS 32 HG1 LYS 32 -7.092 31.370 -12.370 267 HD2 LYS 32 HD2 LYS 32 -4.767 30.995 -11.676 268 HD3 LYS 32 HD1 LYS 32 -5.207 29.866 -12.957 269 HE2 LYS 32 HE2 LYS 32 -3.900 32.504 -13.619 270 HE3 LYS 32 HE1 LYS 32 -2.930 31.109 -13.148 271 HZ1 LYS 32 HZ1 LYS 32 -4.074 31.655 -15.640 272 HZ2 LYS 32 HZ2 LYS 32 -4.830 30.266 -15.019 273 HZ3 LYS 32 HZ3 LYS 32 -3.140 30.314 -15.185 274 H ASN 33 HN ASN 33 -8.890 30.205 -16.285 275 HA ASN 33 HA ASN 33 -8.302 31.435 -18.760 276 HB2 ASN 33 HB2 ASN 33 -8.641 28.976 -18.412 277 HB3 ASN 33 HB1 ASN 33 -10.370 29.285 -18.247 278 HD21 ASN 33 HD21 ASN 33 -10.926 28.143 -20.206 279 HD22 ASN 33 HD22 ASN 33 -10.515 28.745 -21.738 280 H GLU 34 HN GLU 34 -11.300 31.242 -16.866 281 HA GLU 34 HA GLU 34 -12.997 32.479 -18.750 282 HB2 GLU 34 HB2 GLU 34 -13.809 31.268 -16.748 283 HB3 GLU 34 HB1 GLU 34 -13.170 32.557 -15.728 284 HG2 GLU 34 HG2 GLU 34 -14.652 34.185 -16.801 285 HG3 GLU 34 HG1 GLU 34 -15.252 32.943 -17.898 286 H ARG 35 HN ARG 35 -11.026 33.819 -16.116 287 HA ARG 35 HA ARG 35 -11.865 36.502 -16.442 288 HB2 ARG 35 HB2 ARG 35 -9.308 35.363 -15.279 289 HB3 ARG 35 HB1 ARG 35 -9.726 37.073 -15.248 290 HG2 ARG 35 HG2 ARG 35 -11.762 36.596 -13.995 291 HG3 ARG 35 HG1 ARG 35 -11.450 34.862 -14.101 292 HD2 ARG 35 HD2 ARG 35 -10.718 35.708 -11.922 293 HD3 ARG 35 HD1 ARG 35 -9.325 35.186 -12.867 294 HE ARG 35 HE ARG 35 -9.854 37.963 -13.272 295 HH11 ARG 35 HH11 ARG 35 -8.424 39.437 -12.311 296 HH12 ARG 35 HH12 ARG 35 -7.391 38.920 -11.021 297 HH21 ARG 35 HH21 ARG 35 -8.563 35.654 -11.044 298 HH22 ARG 35 HH22 ARG 35 -7.470 36.775 -10.302 299 H HIS 36 HN HIS 36 -9.321 34.596 -17.979 300 HA HIS 36 HA HIS 36 -7.995 36.724 -19.272 301 HB2 HIS 36 HB2 HIS 36 -8.216 33.787 -20.005 302 HB3 HIS 36 HB1 HIS 36 -7.168 34.935 -20.833 303 HD2 HIS 36 HD2 HIS 36 -6.878 36.098 -17.336 304 HE1 HIS 36 HE1 HIS 36 -4.119 32.910 -17.518 305 HE2 HIS 36 HE2 HIS 36 -4.869 34.920 -16.161 306 H ASP 37 HN ASP 37 -10.819 34.784 -20.191 307 HA ASP 37 HA ASP 37 -10.994 36.003 -22.814 308 HB2 ASP 37 HB2 ASP 37 -12.876 34.172 -21.298 309 HB3 ASP 37 HB1 ASP 37 -13.167 34.757 -22.933 310 H HIS 38 HN HIS 38 -12.332 36.533 -19.631 311 HA HIS 38 HA HIS 38 -14.494 38.221 -20.446 312 HB2 HIS 38 HB2 HIS 38 -14.470 37.111 -18.241 313 HB3 HIS 38 HB1 HIS 38 -13.071 38.080 -17.768 314 HD2 HIS 38 HD2 HIS 38 -13.745 40.527 -16.677 315 HE1 HIS 38 HE1 HIS 38 -17.763 40.655 -17.967 316 HE2 HIS 38 HE2 HIS 38 -15.998 41.843 -16.580 317 H ASP 39 HN ASP 39 -11.104 38.672 -19.998 318 HA ASP 39 HA ASP 39 -11.026 41.445 -19.500 319 HB2 ASP 39 HB2 ASP 39 -9.047 39.893 -19.346 320 HB3 ASP 39 HB1 ASP 39 -8.991 39.875 -21.109 321 H TYR 40 HN TYR 40 -11.617 39.597 -22.419 322 HA TYR 40 HA TYR 40 -11.351 41.964 -24.132 323 HB2 TYR 40 HB2 TYR 40 -12.121 39.105 -24.774 324 HB3 TYR 40 HB1 TYR 40 -11.890 40.390 -25.960 325 HD1 TYR 40 HD1 TYR 40 -10.218 38.166 -23.547 326 HD2 TYR 40 HD2 TYR 40 -9.674 41.302 -26.432 327 HE1 TYR 40 HE1 TYR 40 -7.774 37.741 -23.547 328 HE2 TYR 40 HE2 TYR 40 -7.231 40.877 -26.432 329 HH TYR 40 HH TYR 40 -5.554 39.790 -24.564 Start of MODEL 17 1 H1 GLY 1 HT1 GLY 1 2.537 -14.583 3.409 2 H2 GLY 1 HT2 GLY 1 2.279 -13.859 4.924 3 H3 GLY 1 HT3 GLY 1 1.979 -12.984 3.499 4 HA2 GLY 1 HA2 GLY 1 0.364 -15.020 3.060 5 HA3 GLY 1 HA1 GLY 1 0.352 -15.006 4.824 6 H SER 2 HN SER 2 0.094 -12.784 2.045 7 HA SER 2 HA SER 2 -1.156 -10.884 1.723 8 HB2 SER 2 HB2 SER 2 -2.982 -12.367 3.621 9 HB3 SER 2 HB1 SER 2 -3.443 -10.922 2.730 10 HG SER 2 HG SER 2 -2.450 -13.312 1.558 11 H VAL 3 HN VAL 3 0.834 -10.941 3.903 12 HA VAL 3 HA VAL 3 -0.328 -9.151 5.923 13 HB VAL 3 HB VAL 3 1.918 -9.371 7.001 14 HG11 VAL 3 HG11 VAL 3 0.725 -12.064 6.299 15 HG12 VAL 3 HG12 VAL 3 -0.048 -10.934 7.411 16 HG13 VAL 3 HG13 VAL 3 1.537 -11.602 7.795 17 HG21 VAL 3 HG21 VAL 3 2.387 -11.311 4.709 18 HG22 VAL 3 HG22 VAL 3 3.447 -11.107 6.102 19 HG23 VAL 3 HG23 VAL 3 3.234 -9.783 4.956 20 H LYS 4 HN LYS 4 1.844 -9.140 3.180 21 HA LYS 4 HA LYS 4 2.009 -6.199 3.337 22 HB2 LYS 4 HB2 LYS 4 4.327 -8.095 2.985 23 HB3 LYS 4 HB1 LYS 4 4.405 -6.382 2.564 24 HG2 LYS 4 HG2 LYS 4 3.783 -5.783 4.874 25 HG3 LYS 4 HG1 LYS 4 3.707 -7.493 5.300 26 HD2 LYS 4 HD2 LYS 4 6.092 -7.742 4.701 27 HD3 LYS 4 HD1 LYS 4 6.165 -6.025 4.303 28 HE2 LYS 4 HE2 LYS 4 5.430 -7.138 7.027 29 HE3 LYS 4 HE1 LYS 4 7.015 -6.494 6.594 30 HZ1 LYS 4 HZ1 LYS 4 4.833 -5.074 7.510 31 HZ2 LYS 4 HZ2 LYS 4 4.968 -4.678 5.863 32 HZ3 LYS 4 HZ3 LYS 4 6.287 -4.441 6.909 33 H LYS 5 HN LYS 5 1.778 -9.107 1.527 34 HA LYS 5 HA LYS 5 2.418 -8.139 -1.048 35 HB2 LYS 5 HB2 LYS 5 0.590 -10.395 -0.180 36 HB3 LYS 5 HB1 LYS 5 1.030 -10.068 -1.856 37 HG2 LYS 5 HG2 LYS 5 3.417 -10.301 -1.272 38 HG3 LYS 5 HG1 LYS 5 2.968 -10.658 0.397 39 HD2 LYS 5 HD2 LYS 5 1.693 -12.627 -0.362 40 HD3 LYS 5 HD1 LYS 5 2.141 -12.274 -2.032 41 HE2 LYS 5 HE2 LYS 5 3.647 -13.975 -1.162 42 HE3 LYS 5 HE1 LYS 5 4.547 -12.474 -1.378 43 HZ1 LYS 5 HZ1 LYS 5 4.949 -12.350 0.788 44 HZ2 LYS 5 HZ2 LYS 5 4.368 -13.940 0.923 45 HZ3 LYS 5 HZ3 LYS 5 3.327 -12.626 1.195 46 H LEU 6 HN LEU 6 -0.546 -7.988 0.874 47 HA LEU 6 HA LEU 6 -1.897 -6.531 -1.337 48 HB2 LEU 6 HB2 LEU 6 -3.155 -7.874 1.060 49 HB3 LEU 6 HB1 LEU 6 -3.978 -7.246 -0.368 50 HG LEU 6 HG LEU 6 -1.982 -9.531 -0.349 51 HD11 LEU 6 HD11 LEU 6 -3.906 -10.959 -0.795 52 HD12 LEU 6 HD12 LEU 6 -4.980 -9.559 -0.801 53 HD13 LEU 6 HD13 LEU 6 -4.184 -10.054 0.691 54 HD21 LEU 6 HD21 LEU 6 -3.019 -9.794 -2.731 55 HD22 LEU 6 HD22 LEU 6 -1.797 -8.552 -2.488 56 HD23 LEU 6 HD23 LEU 6 -3.504 -8.110 -2.537 57 H ASN 7 HN ASN 7 -1.087 -6.508 2.102 58 HA ASN 7 HA ASN 7 -2.547 -4.222 2.850 59 HB2 ASN 7 HB2 ASN 7 -1.408 -5.816 4.420 60 HB3 ASN 7 HB1 ASN 7 0.123 -5.080 3.969 61 HD21 ASN 7 HD21 ASN 7 -0.753 -4.942 6.650 62 HD22 ASN 7 HD22 ASN 7 -1.161 -3.335 7.015 63 H ASP 8 HN ASP 8 0.693 -4.575 1.445 64 HA ASP 8 HA ASP 8 1.592 -1.934 1.693 65 HB2 ASP 8 HB2 ASP 8 2.977 -3.859 0.940 66 HB3 ASP 8 HB1 ASP 8 2.124 -3.833 -0.602 67 H GLU 9 HN GLU 9 -0.960 -3.190 -0.129 68 HA GLU 9 HA GLU 9 -0.982 -1.528 -2.391 69 HB2 GLU 9 HB2 GLU 9 -2.471 -3.520 -2.138 70 HB3 GLU 9 HB1 GLU 9 -3.415 -2.641 -0.939 71 HG2 GLU 9 HG2 GLU 9 -4.514 -2.446 -3.094 72 HG3 GLU 9 HG1 GLU 9 -3.857 -0.871 -2.659 73 H VAL 10 HN VAL 10 -2.117 -1.017 0.911 74 HA VAL 10 HA VAL 10 -3.586 1.340 0.493 75 HB VAL 10 HB VAL 10 -3.460 -0.055 2.617 76 HG11 VAL 10 HG11 VAL 10 -0.860 0.089 2.575 77 HG12 VAL 10 HG12 VAL 10 -1.675 0.223 4.130 78 HG13 VAL 10 HG13 VAL 10 -1.083 1.671 3.317 79 HG21 VAL 10 HG21 VAL 10 -3.814 1.894 4.071 80 HG22 VAL 10 HG22 VAL 10 -4.577 2.148 2.502 81 HG23 VAL 10 HG23 VAL 10 -3.046 2.939 2.876 82 H ALA 11 HN ALA 11 -0.149 0.773 1.038 83 HA ALA 11 HA ALA 11 0.622 3.488 1.294 84 HB1 ALA 11 HB1 ALA 11 2.904 2.701 0.734 85 HB2 ALA 11 HB2 ALA 11 2.247 1.127 0.294 86 HB3 ALA 11 HB3 ALA 11 2.142 1.695 1.964 87 H LEU 12 HN LEU 12 0.378 1.341 -1.504 88 HA LEU 12 HA LEU 12 1.394 3.226 -3.388 89 HB2 LEU 12 HB2 LEU 12 -0.036 0.598 -3.538 90 HB3 LEU 12 HB1 LEU 12 -0.042 1.609 -4.983 91 HG LEU 12 HG LEU 12 2.414 1.739 -4.905 92 HD11 LEU 12 HD11 LEU 12 3.597 0.186 -3.306 93 HD12 LEU 12 HD12 LEU 12 2.055 -0.040 -2.480 94 HD13 LEU 12 HD13 LEU 12 2.804 1.555 -2.528 95 HD21 LEU 12 HD21 LEU 12 2.854 -0.639 -5.469 96 HD22 LEU 12 HD22 LEU 12 1.340 -0.077 -6.178 97 HD23 LEU 12 HD23 LEU 12 1.315 -1.085 -4.732 98 H GLU 13 HN GLU 13 -1.841 2.502 -2.187 99 HA GLU 13 HA GLU 13 -3.296 4.010 -4.074 100 HB2 GLU 13 HB2 GLU 13 -3.860 3.221 -1.217 101 HB3 GLU 13 HB1 GLU 13 -5.021 4.114 -2.199 102 HG2 GLU 13 HG2 GLU 13 -5.175 2.333 -3.797 103 HG3 GLU 13 HG1 GLU 13 -3.794 1.495 -3.104 104 H ARG 14 HN ARG 14 -1.843 4.898 -0.963 105 HA ARG 14 HA ARG 14 -2.829 7.549 -0.892 106 HB2 ARG 14 HB2 ARG 14 -0.401 6.252 0.358 107 HB3 ARG 14 HB1 ARG 14 -0.884 7.917 0.684 108 HG2 ARG 14 HG2 ARG 14 -3.064 7.160 1.494 109 HG3 ARG 14 HG1 ARG 14 -2.651 5.490 1.103 110 HD2 ARG 14 HD2 ARG 14 -0.777 5.576 2.700 111 HD3 ARG 14 HD1 ARG 14 -1.186 7.244 3.093 112 HE ARG 14 HE ARG 14 -2.599 4.854 3.967 113 HH11 ARG 14 HH11 ARG 14 -4.252 5.226 5.482 114 HH12 ARG 14 HH12 ARG 14 -4.809 6.842 5.770 115 HH21 ARG 14 HH21 ARG 14 -2.633 8.281 3.484 116 HH22 ARG 14 HH22 ARG 14 -3.892 8.570 4.638 117 H LEU 15 HN LEU 15 0.085 6.091 -2.245 118 HA LEU 15 HA LEU 15 1.392 8.490 -2.950 119 HB2 LEU 15 HB2 LEU 15 2.579 6.342 -2.919 120 HB3 LEU 15 HB1 LEU 15 1.612 5.765 -4.268 121 HG LEU 15 HG LEU 15 2.497 7.620 -5.675 122 HD11 LEU 15 HD11 LEU 15 4.673 8.678 -4.623 123 HD12 LEU 15 HD12 LEU 15 3.884 8.306 -3.093 124 HD13 LEU 15 HD13 LEU 15 3.098 9.376 -4.257 125 HD21 LEU 15 HD21 LEU 15 3.580 5.326 -5.476 126 HD22 LEU 15 HD22 LEU 15 4.752 6.064 -4.387 127 HD23 LEU 15 HD23 LEU 15 4.637 6.610 -6.060 128 H LYS 16 HN LYS 16 -1.005 6.518 -4.645 129 HA LYS 16 HA LYS 16 -0.916 8.232 -7.011 130 HB2 LYS 16 HB2 LYS 16 -2.627 5.827 -6.305 131 HB3 LYS 16 HB1 LYS 16 -2.669 6.673 -7.850 132 HG2 LYS 16 HG2 LYS 16 -0.276 6.174 -8.196 133 HG3 LYS 16 HG1 LYS 16 -0.229 5.326 -6.649 134 HD2 LYS 16 HD2 LYS 16 -1.941 3.740 -7.472 135 HD3 LYS 16 HD1 LYS 16 -1.960 4.576 -9.025 136 HE2 LYS 16 HE2 LYS 16 0.476 3.251 -7.795 137 HE3 LYS 16 HE1 LYS 16 -0.513 2.559 -9.081 138 HZ1 LYS 16 HZ1 LYS 16 1.183 3.593 -10.228 139 HZ2 LYS 16 HZ2 LYS 16 1.250 4.918 -9.166 140 HZ3 LYS 16 HZ3 LYS 16 -0.036 4.772 -10.267 141 H ASN 17 HN ASN 17 -2.542 8.083 -4.034 142 HA ASN 17 HA ASN 17 -5.085 9.084 -4.690 143 HB2 ASN 17 HB2 ASN 17 -4.551 8.183 -2.470 144 HB3 ASN 17 HB1 ASN 17 -3.459 9.536 -2.175 145 HD21 ASN 17 HD21 ASN 17 -6.892 8.679 -2.615 146 HD22 ASN 17 HD22 ASN 17 -7.504 10.114 -1.949 147 H GLU 18 HN GLU 18 -1.966 10.582 -4.487 148 HA GLU 18 HA GLU 18 -2.703 13.260 -4.118 149 HB2 GLU 18 HB2 GLU 18 -0.549 13.846 -5.075 150 HB3 GLU 18 HB1 GLU 18 -0.357 12.436 -4.036 151 HG2 GLU 18 HG2 GLU 18 -0.553 10.994 -6.090 152 HG3 GLU 18 HG1 GLU 18 -0.540 12.460 -7.063 153 H ARG 19 HN ARG 19 -3.249 11.168 -6.757 154 HA ARG 19 HA ARG 19 -3.250 13.021 -8.895 155 HB2 ARG 19 HB2 ARG 19 -3.223 10.538 -9.171 156 HB3 ARG 19 HB1 ARG 19 -4.919 10.512 -8.676 157 HG2 ARG 19 HG2 ARG 19 -5.475 12.040 -10.541 158 HG3 ARG 19 HG1 ARG 19 -3.782 12.030 -11.040 159 HD2 ARG 19 HD2 ARG 19 -3.896 9.583 -11.346 160 HD3 ARG 19 HD1 ARG 19 -5.594 9.609 -10.879 161 HE ARG 19 HE ARG 19 -5.162 11.409 -13.030 162 HH11 ARG 19 HH11 ARG 19 -5.823 10.762 -15.105 163 HH12 ARG 19 HH12 ARG 19 -6.097 9.084 -15.437 164 HH21 ARG 19 HH21 ARG 19 -5.291 8.045 -12.228 165 HH22 ARG 19 HH22 ARG 19 -5.796 7.545 -13.808 166 H HIS 20 HN HIS 20 -5.672 12.099 -6.529 167 HA HIS 20 HA HIS 20 -7.961 13.203 -7.733 168 HB2 HIS 20 HB2 HIS 20 -7.194 12.746 -4.848 169 HB3 HIS 20 HB1 HIS 20 -8.770 13.388 -5.310 170 HD2 HIS 20 HD2 HIS 20 -7.276 9.993 -4.712 171 HE1 HIS 20 HE1 HIS 20 -10.355 9.347 -7.528 172 HE2 HIS 20 HE2 HIS 20 -8.765 8.210 -5.907 173 H VAL 21 HN VAL 21 -5.511 14.672 -5.666 174 HA VAL 21 HA VAL 21 -6.877 17.228 -5.584 175 HB VAL 21 HB VAL 21 -4.900 18.016 -4.345 176 HG11 VAL 21 HG11 VAL 21 -5.841 15.310 -3.363 177 HG12 VAL 21 HG12 VAL 21 -6.779 16.796 -3.232 178 HG13 VAL 21 HG13 VAL 21 -5.242 16.645 -2.382 179 HG21 VAL 21 HG21 VAL 21 -3.805 15.206 -4.503 180 HG22 VAL 21 HG22 VAL 21 -3.014 16.643 -3.892 181 HG23 VAL 21 HG23 VAL 21 -3.274 16.456 -5.616 182 H HIS 22 HN HIS 22 -4.516 15.667 -7.562 183 HA HIS 22 HA HIS 22 -3.288 18.002 -8.635 184 HB2 HIS 22 HB2 HIS 22 -3.476 15.171 -9.673 185 HB3 HIS 22 HB1 HIS 22 -2.569 16.439 -10.483 186 HD2 HIS 22 HD2 HIS 22 -1.059 13.826 -8.897 187 HE1 HIS 22 HE1 HIS 22 0.283 16.883 -6.313 188 HE2 HIS 22 HE2 HIS 22 0.674 14.487 -7.058 189 H ASP 23 HN ASP 23 -6.161 16.150 -9.483 190 HA ASP 23 HA ASP 23 -6.579 17.287 -12.047 191 HB2 ASP 23 HB2 ASP 23 -8.867 16.427 -11.810 192 HB3 ASP 23 HB1 ASP 23 -7.681 15.225 -11.306 193 H GLU 24 HN GLU 24 -7.005 18.489 -8.866 194 HA GLU 24 HA GLU 24 -9.079 20.362 -9.270 195 HB2 GLU 24 HB2 GLU 24 -8.246 19.731 -7.022 196 HB3 GLU 24 HB1 GLU 24 -6.739 20.588 -7.354 197 HG2 GLU 24 HG2 GLU 24 -7.958 22.687 -7.630 198 HG3 GLU 24 HG1 GLU 24 -9.493 21.850 -7.399 199 H GLU 25 HN GLU 25 -5.741 20.354 -10.174 200 HA GLU 25 HA GLU 25 -5.225 23.095 -10.460 201 HB2 GLU 25 HB2 GLU 25 -3.510 21.324 -10.741 202 HB3 GLU 25 HB1 GLU 25 -4.253 20.846 -12.261 203 HG2 GLU 25 HG2 GLU 25 -3.851 23.084 -13.187 204 HG3 GLU 25 HG1 GLU 25 -3.145 23.597 -11.656 205 H VAL 26 HN VAL 26 -6.974 20.868 -12.580 206 HA VAL 26 HA VAL 26 -7.207 22.565 -14.814 207 HB VAL 26 HB VAL 26 -7.841 20.031 -14.546 208 HG11 VAL 26 HG11 VAL 26 -10.069 19.482 -14.012 209 HG12 VAL 26 HG12 VAL 26 -10.625 21.145 -14.183 210 HG13 VAL 26 HG13 VAL 26 -9.674 20.681 -12.783 211 HG21 VAL 26 HG21 VAL 26 -9.482 20.269 -16.442 212 HG22 VAL 26 HG22 VAL 26 -7.966 21.138 -16.674 213 HG23 VAL 26 HG23 VAL 26 -9.422 22.014 -16.198 214 H GLU 27 HN GLU 27 -9.022 22.326 -11.819 215 HA GLU 27 HA GLU 27 -11.215 23.946 -12.604 216 HB2 GLU 27 HB2 GLU 27 -11.130 22.437 -10.581 217 HB3 GLU 27 HB1 GLU 27 -10.121 23.648 -9.797 218 HG2 GLU 27 HG2 GLU 27 -12.814 24.345 -10.988 219 HG3 GLU 27 HG1 GLU 27 -12.652 23.757 -9.339 220 H LEU 28 HN LEU 28 -8.130 24.662 -11.048 221 HA LEU 28 HA LEU 28 -8.635 27.418 -10.600 222 HB2 LEU 28 HB2 LEU 28 -6.100 25.780 -10.769 223 HB3 LEU 28 HB1 LEU 28 -6.036 27.533 -10.609 224 HG LEU 28 HG LEU 28 -7.550 27.295 -8.578 225 HD11 LEU 28 HD11 LEU 28 -7.449 25.006 -7.511 226 HD12 LEU 28 HD12 LEU 28 -6.843 24.384 -9.043 227 HD13 LEU 28 HD13 LEU 28 -8.459 25.083 -8.952 228 HD21 LEU 28 HD21 LEU 28 -5.686 26.669 -7.118 229 HD22 LEU 28 HD22 LEU 28 -5.084 27.639 -8.462 230 HD23 LEU 28 HD23 LEU 28 -4.864 25.890 -8.468 231 H GLU 29 HN GLU 29 -7.296 25.641 -13.334 232 HA GLU 29 HA GLU 29 -6.405 27.882 -14.809 233 HB2 GLU 29 HB2 GLU 29 -5.776 25.508 -15.290 234 HB3 GLU 29 HB1 GLU 29 -7.403 25.240 -15.912 235 HG2 GLU 29 HG2 GLU 29 -5.654 27.468 -16.966 236 HG3 GLU 29 HG1 GLU 29 -5.548 25.836 -17.607 237 H ARG 30 HN ARG 30 -9.508 26.176 -14.708 238 HA ARG 30 HA ARG 30 -10.759 27.535 -16.829 239 HB2 ARG 30 HB2 ARG 30 -11.669 25.493 -15.769 240 HB3 ARG 30 HB1 ARG 30 -12.024 26.422 -14.313 241 HG2 ARG 30 HG2 ARG 30 -13.542 27.876 -15.574 242 HG3 ARG 30 HG1 ARG 30 -13.148 27.019 -17.065 243 HD2 ARG 30 HD2 ARG 30 -14.055 24.938 -16.120 244 HD3 ARG 30 HD1 ARG 30 -14.430 25.774 -14.616 245 HE ARG 30 HE ARG 30 -15.894 25.969 -17.124 246 HH11 ARG 30 HH11 ARG 30 -17.821 27.175 -17.011 247 HH12 ARG 30 HH12 ARG 30 -18.136 28.162 -15.623 248 HH21 ARG 30 HH21 ARG 30 -15.170 27.334 -14.029 249 HH22 ARG 30 HH22 ARG 30 -16.636 28.252 -13.935 250 H LEU 31 HN LEU 31 -10.578 28.267 -13.370 251 HA LEU 31 HA LEU 31 -12.279 30.511 -13.395 252 HB2 LEU 31 HB2 LEU 31 -11.611 29.412 -11.328 253 HB3 LEU 31 HB1 LEU 31 -9.935 29.868 -11.594 254 HG LEU 31 HG LEU 31 -11.830 32.158 -11.680 255 HD11 LEU 31 HD11 LEU 31 -12.945 30.915 -9.911 256 HD12 LEU 31 HD12 LEU 31 -12.058 32.263 -9.203 257 HD13 LEU 31 HD13 LEU 31 -11.407 30.628 -9.094 258 HD21 LEU 31 HD21 LEU 31 -9.395 31.776 -9.918 259 HD22 LEU 31 HD22 LEU 31 -10.090 33.285 -10.511 260 HD23 LEU 31 HD23 LEU 31 -9.257 32.203 -11.624 261 H LYS 32 HN LYS 32 -8.768 30.225 -13.800 262 HA LYS 32 HA LYS 32 -8.224 32.988 -13.995 263 HB2 LYS 32 HB2 LYS 32 -6.746 30.576 -15.090 264 HB3 LYS 32 HB1 LYS 32 -6.129 32.225 -15.185 265 HG2 LYS 32 HG2 LYS 32 -6.230 32.415 -12.740 266 HG3 LYS 32 HG1 LYS 32 -6.886 30.781 -12.630 267 HD2 LYS 32 HD2 LYS 32 -4.844 29.887 -13.687 268 HD3 LYS 32 HD1 LYS 32 -4.183 31.519 -13.792 269 HE2 LYS 32 HE2 LYS 32 -4.281 31.719 -11.337 270 HE3 LYS 32 HE1 LYS 32 -4.946 30.089 -11.229 271 HZ1 LYS 32 HZ1 LYS 32 -2.464 30.338 -10.906 272 HZ2 LYS 32 HZ2 LYS 32 -2.371 30.643 -12.574 273 HZ3 LYS 32 HZ3 LYS 32 -2.970 29.155 -12.012 274 H ASN 33 HN ASN 33 -9.185 30.570 -16.377 275 HA ASN 33 HA ASN 33 -8.757 32.098 -18.706 276 HB2 ASN 33 HB2 ASN 33 -9.246 29.632 -18.644 277 HB3 ASN 33 HB1 ASN 33 -10.928 30.030 -18.291 278 HD21 ASN 33 HD21 ASN 33 -11.772 29.258 -20.306 279 HD22 ASN 33 HD22 ASN 33 -11.417 30.008 -21.787 280 H GLU 34 HN GLU 34 -11.583 31.815 -16.578 281 HA GLU 34 HA GLU 34 -13.339 33.387 -18.125 282 HB2 GLU 34 HB2 GLU 34 -13.201 32.864 -15.146 283 HB3 GLU 34 HB1 GLU 34 -14.530 33.729 -15.920 284 HG2 GLU 34 HG2 GLU 34 -13.647 30.929 -16.682 285 HG3 GLU 34 HG1 GLU 34 -14.987 31.283 -15.594 286 H ARG 35 HN ARG 35 -11.047 34.234 -15.553 287 HA ARG 35 HA ARG 35 -11.745 36.985 -15.471 288 HB2 ARG 35 HB2 ARG 35 -9.208 35.556 -14.612 289 HB3 ARG 35 HB1 ARG 35 -9.499 37.273 -14.357 290 HG2 ARG 35 HG2 ARG 35 -11.659 36.607 -13.181 291 HG3 ARG 35 HG1 ARG 35 -11.070 34.945 -13.233 292 HD2 ARG 35 HD2 ARG 35 -9.572 37.276 -12.004 293 HD3 ARG 35 HD1 ARG 35 -10.499 36.085 -11.095 294 HE ARG 35 HE ARG 35 -8.729 34.597 -12.587 295 HH11 ARG 35 HH11 ARG 35 -6.697 33.986 -11.766 296 HH12 ARG 35 HH12 ARG 35 -5.952 34.937 -10.525 297 HH21 ARG 35 HH21 ARG 35 -8.546 37.230 -10.355 298 HH22 ARG 35 HH22 ARG 35 -6.998 36.774 -9.725 299 H HIS 36 HN HIS 36 -9.376 35.146 -17.354 300 HA HIS 36 HA HIS 36 -8.124 37.432 -18.510 301 HB2 HIS 36 HB2 HIS 36 -8.176 34.525 -19.383 302 HB3 HIS 36 HB1 HIS 36 -7.212 35.773 -20.167 303 HD2 HIS 36 HD2 HIS 36 -6.553 33.204 -17.600 304 HE1 HIS 36 HE1 HIS 36 -4.255 36.503 -16.313 305 HE2 HIS 36 HE2 HIS 36 -4.633 34.009 -16.024 306 H ASP 37 HN ASP 37 -10.823 35.369 -19.441 307 HA ASP 37 HA ASP 37 -11.148 36.469 -22.048 308 HB2 ASP 37 HB2 ASP 37 -12.041 34.233 -21.350 309 HB3 ASP 37 HB1 ASP 37 -13.254 35.063 -20.378 310 H HIS 38 HN HIS 38 -12.441 37.259 -18.870 311 HA HIS 38 HA HIS 38 -14.163 39.353 -19.986 312 HB2 HIS 38 HB2 HIS 38 -14.863 37.786 -18.085 313 HB3 HIS 38 HB1 HIS 38 -13.751 38.700 -17.062 314 HD2 HIS 38 HD2 HIS 38 -17.320 39.017 -18.478 315 HE1 HIS 38 HE1 HIS 38 -16.320 42.785 -16.857 316 HE2 HIS 38 HE2 HIS 38 -18.212 41.374 -17.795 317 H ASP 39 HN ASP 39 -10.982 39.027 -19.018 318 HA ASP 39 HA ASP 39 -9.298 40.528 -18.569 319 HB2 ASP 39 HB2 ASP 39 -10.431 41.652 -20.560 320 HB3 ASP 39 HB1 ASP 39 -11.248 42.683 -19.388 321 H TYR 40 HN TYR 40 -11.038 39.749 -16.424 322 HA TYR 40 HA TYR 40 -10.387 41.800 -14.518 323 HB2 TYR 40 HB2 TYR 40 -13.259 41.364 -15.342 324 HB3 TYR 40 HB1 TYR 40 -12.848 41.947 -13.730 325 HD1 TYR 40 HD1 TYR 40 -13.593 42.968 -17.029 326 HD2 TYR 40 HD2 TYR 40 -11.062 43.917 -13.692 327 HE1 TYR 40 HE1 TYR 40 -13.288 45.267 -17.914 328 HE2 TYR 40 HE2 TYR 40 -10.759 46.213 -14.575 329 HH TYR 40 HH TYR 40 -12.269 47.774 -16.189 Start of MODEL 18 1 H1 GLY 1 HT1 GLY 1 3.780 -8.953 3.552 2 H2 GLY 1 HT2 GLY 1 4.894 -7.711 3.870 3 H3 GLY 1 HT3 GLY 1 3.775 -8.176 5.059 4 HA2 GLY 1 HA2 GLY 1 5.340 -10.389 4.165 5 HA3 GLY 1 HA1 GLY 1 6.338 -9.087 4.813 6 H SER 2 HN SER 2 3.041 -10.115 5.675 7 HA SER 2 HA SER 2 2.130 -10.825 7.658 8 HB2 SER 2 HB2 SER 2 4.098 -12.493 7.432 9 HB3 SER 2 HB1 SER 2 4.893 -11.503 8.651 10 HG SER 2 HG SER 2 2.935 -11.794 9.915 11 H VAL 3 HN VAL 3 5.319 -9.659 8.742 12 HA VAL 3 HA VAL 3 4.112 -8.110 10.850 13 HB VAL 3 HB VAL 3 6.408 -7.466 11.399 14 HG11 VAL 3 HG11 VAL 3 7.285 -9.711 11.829 15 HG12 VAL 3 HG12 VAL 3 6.211 -10.387 10.604 16 HG13 VAL 3 HG13 VAL 3 5.540 -9.697 12.081 17 HG21 VAL 3 HG21 VAL 3 7.387 -7.124 9.239 18 HG22 VAL 3 HG22 VAL 3 6.999 -8.768 8.730 19 HG23 VAL 3 HG23 VAL 3 8.244 -8.493 9.948 20 H LYS 4 HN LYS 4 3.933 -7.544 7.748 21 HA LYS 4 HA LYS 4 5.062 -5.024 7.253 22 HB2 LYS 4 HB2 LYS 4 3.359 -4.828 5.476 23 HB3 LYS 4 HB1 LYS 4 4.108 -6.424 5.481 24 HG2 LYS 4 HG2 LYS 4 2.194 -7.309 6.784 25 HG3 LYS 4 HG1 LYS 4 1.436 -5.717 6.732 26 HD2 LYS 4 HD2 LYS 4 1.296 -5.808 4.303 27 HD3 LYS 4 HD1 LYS 4 2.184 -7.333 4.278 28 HE2 LYS 4 HE2 LYS 4 -0.227 -7.755 4.062 29 HE3 LYS 4 HE1 LYS 4 0.370 -8.395 5.592 30 HZ1 LYS 4 HZ1 LYS 4 -1.272 -7.212 6.492 31 HZ2 LYS 4 HZ2 LYS 4 -1.500 -6.267 5.098 32 HZ3 LYS 4 HZ3 LYS 4 -0.291 -5.857 6.220 33 H LYS 5 HN LYS 5 4.331 -2.933 7.524 34 HA LYS 5 HA LYS 5 2.231 -2.565 9.569 35 HB2 LYS 5 HB2 LYS 5 4.668 -1.042 8.717 36 HB3 LYS 5 HB1 LYS 5 3.323 -0.112 9.370 37 HG2 LYS 5 HG2 LYS 5 4.856 -0.727 11.172 38 HG3 LYS 5 HG1 LYS 5 3.318 -1.566 11.385 39 HD2 LYS 5 HD2 LYS 5 4.230 -3.597 10.425 40 HD3 LYS 5 HD1 LYS 5 5.741 -2.779 10.024 41 HE2 LYS 5 HE2 LYS 5 6.151 -2.377 12.433 42 HE3 LYS 5 HE1 LYS 5 4.654 -3.224 12.821 43 HZ1 LYS 5 HZ1 LYS 5 5.732 -5.088 11.388 44 HZ2 LYS 5 HZ2 LYS 5 6.180 -4.898 13.016 45 HZ3 LYS 5 HZ3 LYS 5 7.180 -4.298 11.780 46 H LEU 6 HN LEU 6 1.724 -3.123 6.693 47 HA LEU 6 HA LEU 6 0.249 -2.443 5.069 48 HB2 LEU 6 HB2 LEU 6 -0.651 -0.316 7.020 49 HB3 LEU 6 HB1 LEU 6 -1.577 -1.061 5.723 50 HG LEU 6 HG LEU 6 -0.531 -2.511 8.167 51 HD11 LEU 6 HD11 LEU 6 -3.343 -1.685 7.386 52 HD12 LEU 6 HD12 LEU 6 -2.382 -0.966 8.679 53 HD13 LEU 6 HD13 LEU 6 -2.910 -2.644 8.802 54 HD21 LEU 6 HD21 LEU 6 -2.196 -4.271 7.225 55 HD22 LEU 6 HD22 LEU 6 -0.635 -4.111 6.426 56 HD23 LEU 6 HD23 LEU 6 -2.068 -3.375 5.711 57 H ASN 7 HN ASN 7 2.909 -1.341 5.148 58 HA ASN 7 HA ASN 7 2.922 1.445 4.646 59 HB2 ASN 7 HB2 ASN 7 5.147 1.092 3.747 60 HB3 ASN 7 HB1 ASN 7 4.945 0.110 5.195 61 HD21 ASN 7 HD21 ASN 7 6.921 -0.752 3.502 62 HD22 ASN 7 HD22 ASN 7 6.424 -2.125 2.637 63 H ASP 8 HN ASP 8 2.064 -1.300 2.720 64 HA ASP 8 HA ASP 8 2.320 0.023 0.174 65 HB2 ASP 8 HB2 ASP 8 0.945 -2.526 1.034 66 HB3 ASP 8 HB1 ASP 8 0.973 -1.953 -0.632 67 H GLU 9 HN GLU 9 -0.298 -0.612 2.468 68 HA GLU 9 HA GLU 9 -2.428 0.302 0.846 69 HB2 GLU 9 HB2 GLU 9 -2.183 0.168 3.866 70 HB3 GLU 9 HB1 GLU 9 -3.669 0.558 3.010 71 HG2 GLU 9 HG2 GLU 9 -2.090 -1.970 2.496 72 HG3 GLU 9 HG1 GLU 9 -3.400 -1.877 3.671 73 H VAL 10 HN VAL 10 -0.292 2.011 3.128 74 HA VAL 10 HA VAL 10 -1.735 4.492 2.873 75 HB VAL 10 HB VAL 10 -0.399 3.893 4.892 76 HG11 VAL 10 HG11 VAL 10 2.002 3.931 4.811 77 HG12 VAL 10 HG12 VAL 10 1.995 4.467 3.131 78 HG13 VAL 10 HG13 VAL 10 1.450 2.846 3.543 79 HG21 VAL 10 HG21 VAL 10 0.471 6.106 5.238 80 HG22 VAL 10 HG22 VAL 10 -0.928 6.279 4.178 81 HG23 VAL 10 HG23 VAL 10 0.701 6.355 3.507 82 H ALA 11 HN ALA 11 1.129 3.032 1.411 83 HA ALA 11 HA ALA 11 2.058 5.324 0.037 84 HB1 ALA 11 HB1 ALA 11 3.229 3.744 -1.450 85 HB2 ALA 11 HB2 ALA 11 2.295 2.410 -0.775 86 HB3 ALA 11 HB3 ALA 11 3.434 3.296 0.243 87 H LEU 12 HN LEU 12 -0.235 2.782 -0.897 88 HA LEU 12 HA LEU 12 -0.693 3.768 -3.519 89 HB2 LEU 12 HB2 LEU 12 -2.336 1.961 -1.732 90 HB3 LEU 12 HB1 LEU 12 -2.783 2.349 -3.391 91 HG LEU 12 HG LEU 12 -0.103 1.167 -2.606 92 HD11 LEU 12 HD11 LEU 12 -1.031 -0.978 -3.436 93 HD12 LEU 12 HD12 LEU 12 -2.603 -0.206 -3.641 94 HD13 LEU 12 HD13 LEU 12 -1.914 -0.388 -2.028 95 HD21 LEU 12 HD21 LEU 12 -1.458 1.873 -5.204 96 HD22 LEU 12 HD22 LEU 12 -0.406 0.461 -5.170 97 HD23 LEU 12 HD23 LEU 12 0.234 2.042 -4.744 98 H GLU 13 HN GLU 13 -2.223 4.410 -0.388 99 HA GLU 13 HA GLU 13 -4.444 5.858 -1.348 100 HB2 GLU 13 HB2 GLU 13 -4.244 5.007 0.967 101 HB3 GLU 13 HB1 GLU 13 -2.961 6.178 1.272 102 HG2 GLU 13 HG2 GLU 13 -4.493 8.029 0.843 103 HG3 GLU 13 HG1 GLU 13 -5.779 6.899 0.416 104 H ARG 14 HN ARG 14 -1.167 6.862 -0.426 105 HA ARG 14 HA ARG 14 -1.559 9.642 -0.716 106 HB2 ARG 14 HB2 ARG 14 0.914 7.918 -0.964 107 HB3 ARG 14 HB1 ARG 14 0.959 9.679 -1.031 108 HG2 ARG 14 HG2 ARG 14 -0.406 8.301 1.281 109 HG3 ARG 14 HG1 ARG 14 1.348 8.466 1.271 110 HD2 ARG 14 HD2 ARG 14 1.124 10.908 1.006 111 HD3 ARG 14 HD1 ARG 14 -0.626 10.760 1.013 112 HE ARG 14 HE ARG 14 0.395 9.556 3.352 113 HH11 ARG 14 HH11 ARG 14 0.266 10.726 5.308 114 HH12 ARG 14 HH12 ARG 14 0.059 12.445 5.264 115 HH21 ARG 14 HH21 ARG 14 0.017 12.623 1.802 116 HH22 ARG 14 HH22 ARG 14 -0.081 13.519 3.281 117 H LEU 15 HN LEU 15 -0.583 7.139 -3.015 118 HA LEU 15 HA LEU 15 0.011 8.880 -5.162 119 HB2 LEU 15 HB2 LEU 15 -0.851 5.973 -5.126 120 HB3 LEU 15 HB1 LEU 15 -0.374 6.828 -6.589 121 HG LEU 15 HG LEU 15 1.372 6.623 -4.117 122 HD11 LEU 15 HD11 LEU 15 1.126 4.387 -4.909 123 HD12 LEU 15 HD12 LEU 15 2.652 4.958 -5.583 124 HD13 LEU 15 HD13 LEU 15 1.210 4.896 -6.597 125 HD21 LEU 15 HD21 LEU 15 2.275 8.399 -5.327 126 HD22 LEU 15 HD22 LEU 15 1.697 7.789 -6.876 127 HD23 LEU 15 HD23 LEU 15 3.106 7.059 -6.111 128 H LYS 16 HN LYS 16 -3.013 7.372 -4.083 129 HA LYS 16 HA LYS 16 -4.578 8.197 -6.338 130 HB2 LYS 16 HB2 LYS 16 -5.376 7.345 -3.528 131 HB3 LYS 16 HB1 LYS 16 -6.526 7.690 -4.818 132 HG2 LYS 16 HG2 LYS 16 -5.509 5.955 -6.221 133 HG3 LYS 16 HG1 LYS 16 -4.311 5.624 -4.968 134 HD2 LYS 16 HD2 LYS 16 -6.106 4.982 -3.408 135 HD3 LYS 16 HD1 LYS 16 -7.313 5.319 -4.650 136 HE2 LYS 16 HE2 LYS 16 -6.320 3.582 -6.094 137 HE3 LYS 16 HE1 LYS 16 -5.106 3.248 -4.858 138 HZ1 LYS 16 HZ1 LYS 16 -7.920 3.175 -4.069 139 HZ2 LYS 16 HZ2 LYS 16 -6.611 2.252 -3.504 140 HZ3 LYS 16 HZ3 LYS 16 -7.331 1.884 -4.999 141 H ASN 17 HN ASN 17 -3.836 9.641 -3.194 142 HA ASN 17 HA ASN 17 -5.687 11.755 -3.250 143 HB2 ASN 17 HB2 ASN 17 -2.978 11.463 -1.945 144 HB3 ASN 17 HB1 ASN 17 -4.015 12.868 -1.700 145 HD21 ASN 17 HD21 ASN 17 -3.314 11.016 0.430 146 HD22 ASN 17 HD22 ASN 17 -4.744 10.250 0.928 147 H GLU 18 HN GLU 18 -2.505 11.347 -4.657 148 HA GLU 18 HA GLU 18 -1.998 14.014 -5.402 149 HB2 GLU 18 HB2 GLU 18 -0.316 12.167 -5.565 150 HB3 GLU 18 HB1 GLU 18 -1.210 11.516 -6.940 151 HG2 GLU 18 HG2 GLU 18 0.631 12.872 -7.765 152 HG3 GLU 18 HG1 GLU 18 -0.882 13.697 -8.125 153 H ARG 19 HN ARG 19 -3.870 11.453 -6.983 154 HA ARG 19 HA ARG 19 -4.326 12.770 -9.443 155 HB2 ARG 19 HB2 ARG 19 -4.849 10.377 -9.057 156 HB3 ARG 19 HB1 ARG 19 -6.179 10.855 -8.000 157 HG2 ARG 19 HG2 ARG 19 -7.265 12.033 -9.867 158 HG3 ARG 19 HG1 ARG 19 -5.923 11.600 -10.931 159 HD2 ARG 19 HD2 ARG 19 -7.714 9.623 -9.494 160 HD3 ARG 19 HD1 ARG 19 -7.857 10.067 -11.189 161 HE ARG 19 HE ARG 19 -5.791 8.959 -11.638 162 HH11 ARG 19 HH11 ARG 19 -4.470 7.192 -11.175 163 HH12 ARG 19 HH12 ARG 19 -4.471 6.498 -9.589 164 HH21 ARG 19 HH21 ARG 19 -6.803 8.720 -8.320 165 HH22 ARG 19 HH22 ARG 19 -5.790 7.361 -7.979 166 H HIS 20 HN HIS 20 -6.175 12.781 -6.403 167 HA HIS 20 HA HIS 20 -8.275 14.446 -7.336 168 HB2 HIS 20 HB2 HIS 20 -7.184 13.897 -4.573 169 HB3 HIS 20 HB1 HIS 20 -8.562 14.962 -4.848 170 HD2 HIS 20 HD2 HIS 20 -10.973 13.639 -5.292 171 HE1 HIS 20 HE1 HIS 20 -9.407 9.732 -5.599 172 HE2 HIS 20 HE2 HIS 20 -11.544 11.101 -5.496 173 H VAL 21 HN VAL 21 -5.152 15.218 -5.830 174 HA VAL 21 HA VAL 21 -5.579 17.977 -5.514 175 HB VAL 21 HB VAL 21 -3.081 16.299 -5.827 176 HG11 VAL 21 HG11 VAL 21 -2.440 18.460 -6.558 177 HG12 VAL 21 HG12 VAL 21 -1.967 18.382 -4.864 178 HG13 VAL 21 HG13 VAL 21 -3.426 19.250 -5.334 179 HG21 VAL 21 HG21 VAL 21 -4.244 15.871 -3.748 180 HG22 VAL 21 HG22 VAL 21 -4.512 17.592 -3.481 181 HG23 VAL 21 HG23 VAL 21 -2.886 16.926 -3.372 182 H HIS 22 HN HIS 22 -4.147 16.075 -8.156 183 HA HIS 22 HA HIS 22 -3.442 18.260 -9.787 184 HB2 HIS 22 HB2 HIS 22 -2.603 15.931 -10.099 185 HB3 HIS 22 HB1 HIS 22 -4.185 15.468 -10.716 186 HD2 HIS 22 HD2 HIS 22 -0.984 17.304 -11.930 187 HE1 HIS 22 HE1 HIS 22 -3.833 17.569 -15.034 188 HE2 HIS 22 HE2 HIS 22 -1.403 17.972 -14.419 189 H ASP 23 HN ASP 23 -6.458 16.429 -9.472 190 HA ASP 23 HA ASP 23 -7.783 17.501 -11.719 191 HB2 ASP 23 HB2 ASP 23 -8.839 16.445 -9.085 192 HB3 ASP 23 HB1 ASP 23 -9.874 16.912 -10.431 193 H GLU 24 HN GLU 24 -7.506 18.631 -8.367 194 HA GLU 24 HA GLU 24 -9.320 20.795 -8.619 195 HB2 GLU 24 HB2 GLU 24 -8.606 19.934 -6.416 196 HB3 GLU 24 HB1 GLU 24 -6.976 20.537 -6.697 197 HG2 GLU 24 HG2 GLU 24 -8.189 22.139 -5.338 198 HG3 GLU 24 HG1 GLU 24 -7.921 22.842 -6.929 199 H GLU 25 HN GLU 25 -5.832 20.522 -9.198 200 HA GLU 25 HA GLU 25 -5.306 23.277 -9.618 201 HB2 GLU 25 HB2 GLU 25 -3.522 21.608 -9.271 202 HB3 GLU 25 HB1 GLU 25 -3.890 20.869 -10.824 203 HG2 GLU 25 HG2 GLU 25 -3.348 22.990 -11.967 204 HG3 GLU 25 HG1 GLU 25 -2.982 23.732 -10.410 205 H VAL 26 HN VAL 26 -6.452 20.735 -11.822 206 HA VAL 26 HA VAL 26 -6.264 22.293 -14.199 207 HB VAL 26 HB VAL 26 -7.860 19.812 -13.517 208 HG11 VAL 26 HG11 VAL 26 -9.198 20.876 -15.181 209 HG12 VAL 26 HG12 VAL 26 -8.194 19.729 -16.068 210 HG13 VAL 26 HG13 VAL 26 -7.782 21.444 -16.066 211 HG21 VAL 26 HG21 VAL 26 -5.239 19.890 -13.922 212 HG22 VAL 26 HG22 VAL 26 -5.690 20.078 -15.608 213 HG23 VAL 26 HG23 VAL 26 -6.199 18.646 -14.717 214 H GLU 27 HN GLU 27 -8.822 21.753 -11.826 215 HA GLU 27 HA GLU 27 -10.882 23.130 -13.226 216 HB2 GLU 27 HB2 GLU 27 -10.454 22.261 -10.395 217 HB3 GLU 27 HB1 GLU 27 -11.684 23.488 -10.678 218 HG2 GLU 27 HG2 GLU 27 -12.880 22.045 -12.200 219 HG3 GLU 27 HG1 GLU 27 -11.588 20.850 -12.179 220 H LEU 28 HN LEU 28 -8.409 24.231 -10.961 221 HA LEU 28 HA LEU 28 -9.368 26.896 -10.718 222 HB2 LEU 28 HB2 LEU 28 -6.715 25.576 -10.169 223 HB3 LEU 28 HB1 LEU 28 -6.860 27.329 -10.084 224 HG LEU 28 HG LEU 28 -8.866 25.617 -8.605 225 HD11 LEU 28 HD11 LEU 28 -6.047 26.296 -7.722 226 HD12 LEU 28 HD12 LEU 28 -6.760 24.689 -7.865 227 HD13 LEU 28 HD13 LEU 28 -7.323 25.795 -6.612 228 HD21 LEU 28 HD21 LEU 28 -7.569 28.287 -7.968 229 HD22 LEU 28 HD22 LEU 28 -8.931 27.555 -7.126 230 HD23 LEU 28 HD23 LEU 28 -9.121 28.113 -8.785 231 H GLU 29 HN GLU 29 -7.152 25.333 -12.989 232 HA GLU 29 HA GLU 29 -6.214 27.676 -14.258 233 HB2 GLU 29 HB2 GLU 29 -5.198 25.407 -14.555 234 HB3 GLU 29 HB1 GLU 29 -6.599 24.943 -15.523 235 HG2 GLU 29 HG2 GLU 29 -4.972 27.396 -16.207 236 HG3 GLU 29 HG1 GLU 29 -4.489 25.799 -16.767 237 H ARG 30 HN ARG 30 -9.034 25.619 -14.867 238 HA ARG 30 HA ARG 30 -9.904 26.886 -17.237 239 HB2 ARG 30 HB2 ARG 30 -10.711 24.665 -16.235 240 HB3 ARG 30 HB1 ARG 30 -11.731 25.641 -15.180 241 HG2 ARG 30 HG2 ARG 30 -13.192 25.252 -16.959 242 HG3 ARG 30 HG1 ARG 30 -12.481 26.789 -17.447 243 HD2 ARG 30 HD2 ARG 30 -12.458 25.262 -19.349 244 HD3 ARG 30 HD1 ARG 30 -10.804 25.524 -18.818 245 HE ARG 30 HE ARG 30 -12.022 23.229 -17.579 246 HH11 ARG 30 HH11 ARG 30 -11.214 21.207 -18.201 247 HH12 ARG 30 HH12 ARG 30 -10.231 21.070 -19.621 248 HH21 ARG 30 HH21 ARG 30 -10.381 24.453 -20.374 249 HH22 ARG 30 HH22 ARG 30 -9.759 22.908 -20.851 250 H LEU 31 HN LEU 31 -10.593 27.524 -13.830 251 HA LEU 31 HA LEU 31 -12.570 29.504 -14.223 252 HB2 LEU 31 HB2 LEU 31 -10.660 29.031 -11.928 253 HB3 LEU 31 HB1 LEU 31 -11.975 30.205 -11.883 254 HG LEU 31 HG LEU 31 -12.364 27.251 -12.465 255 HD11 LEU 31 HD11 LEU 31 -13.037 28.694 -9.894 256 HD12 LEU 31 HD12 LEU 31 -11.516 27.834 -10.123 257 HD13 LEU 31 HD13 LEU 31 -13.043 26.957 -10.196 258 HD21 LEU 31 HD21 LEU 31 -14.281 28.266 -13.328 259 HD22 LEU 31 HD22 LEU 31 -14.194 29.630 -12.216 260 HD23 LEU 31 HD23 LEU 31 -14.777 28.068 -11.651 261 H LYS 32 HN LYS 32 -9.058 29.656 -14.114 262 HA LYS 32 HA LYS 32 -8.733 32.438 -13.902 263 HB2 LYS 32 HB2 LYS 32 -7.032 30.350 -15.285 264 HB3 LYS 32 HB1 LYS 32 -6.526 32.022 -15.054 265 HG2 LYS 32 HG2 LYS 32 -7.449 30.386 -12.696 266 HG3 LYS 32 HG1 LYS 32 -5.803 30.214 -13.296 267 HD2 LYS 32 HD2 LYS 32 -5.538 32.712 -13.068 268 HD3 LYS 32 HD1 LYS 32 -7.116 32.752 -12.281 269 HE2 LYS 32 HE2 LYS 32 -4.754 31.109 -11.339 270 HE3 LYS 32 HE1 LYS 32 -5.265 32.643 -10.636 271 HZ1 LYS 32 HZ1 LYS 32 -7.546 31.174 -10.698 272 HZ2 LYS 32 HZ2 LYS 32 -6.559 31.411 -9.336 273 HZ3 LYS 32 HZ3 LYS 32 -6.371 30.021 -10.294 274 H ASN 33 HN ASN 33 -9.835 30.488 -16.547 275 HA ASN 33 HA ASN 33 -9.127 32.161 -18.713 276 HB2 ASN 33 HB2 ASN 33 -11.464 30.269 -18.366 277 HB3 ASN 33 HB1 ASN 33 -11.093 31.095 -19.872 278 HD21 ASN 33 HD21 ASN 33 -10.978 28.192 -19.515 279 HD22 ASN 33 HD22 ASN 33 -9.364 27.730 -19.762 280 H GLU 34 HN GLU 34 -11.883 32.203 -16.499 281 HA GLU 34 HA GLU 34 -13.433 34.148 -17.821 282 HB2 GLU 34 HB2 GLU 34 -14.284 32.756 -15.966 283 HB3 GLU 34 HB1 GLU 34 -13.225 33.613 -14.846 284 HG2 GLU 34 HG2 GLU 34 -14.361 35.723 -15.330 285 HG3 GLU 34 HG1 GLU 34 -15.370 34.931 -16.539 286 H ARG 35 HN ARG 35 -10.882 34.457 -15.364 287 HA ARG 35 HA ARG 35 -11.083 37.265 -15.078 288 HB2 ARG 35 HB2 ARG 35 -8.739 35.401 -14.588 289 HB3 ARG 35 HB1 ARG 35 -8.745 37.114 -14.175 290 HG2 ARG 35 HG2 ARG 35 -10.659 36.794 -12.699 291 HG3 ARG 35 HG1 ARG 35 -10.769 35.095 -13.168 292 HD2 ARG 35 HD2 ARG 35 -9.588 35.271 -11.037 293 HD3 ARG 35 HD1 ARG 35 -8.469 34.735 -12.290 294 HE ARG 35 HE ARG 35 -8.436 37.578 -12.053 295 HH11 ARG 35 HH11 ARG 35 -6.634 38.519 -11.053 296 HH12 ARG 35 HH12 ARG 35 -5.590 37.550 -10.068 297 HH21 ARG 35 HH21 ARG 35 -7.407 34.635 -10.554 298 HH22 ARG 35 HH22 ARG 35 -6.029 35.348 -9.785 299 H HIS 36 HN HIS 36 -9.303 35.208 -17.324 300 HA HIS 36 HA HIS 36 -7.673 37.214 -18.454 301 HB2 HIS 36 HB2 HIS 36 -7.283 34.783 -18.792 302 HB3 HIS 36 HB1 HIS 36 -8.708 34.708 -19.826 303 HD2 HIS 36 HD2 HIS 36 -4.989 35.803 -20.025 304 HE1 HIS 36 HE1 HIS 36 -6.792 36.795 -23.713 305 HE2 HIS 36 HE2 HIS 36 -4.581 36.609 -22.476 306 H ASP 37 HN ASP 37 -10.971 36.151 -19.225 307 HA ASP 37 HA ASP 37 -11.149 38.008 -21.471 308 HB2 ASP 37 HB2 ASP 37 -13.150 36.103 -20.227 309 HB3 ASP 37 HB1 ASP 37 -13.501 37.145 -21.604 310 H HIS 38 HN HIS 38 -11.561 38.128 -18.124 311 HA HIS 38 HA HIS 38 -13.382 40.468 -18.305 312 HB2 HIS 38 HB2 HIS 38 -14.213 38.508 -16.976 313 HB3 HIS 38 HB1 HIS 38 -12.852 38.742 -15.879 314 HD2 HIS 38 HD2 HIS 38 -15.616 41.275 -17.281 315 HE1 HIS 38 HE1 HIS 38 -14.996 41.992 -13.166 316 HE2 HIS 38 HE2 HIS 38 -16.297 42.727 -15.220 317 H ASP 39 HN ASP 39 -10.355 40.222 -18.568 318 HA ASP 39 HA ASP 39 -9.325 41.566 -16.221 319 HB2 ASP 39 HB2 ASP 39 -7.218 41.610 -17.416 320 HB3 ASP 39 HB1 ASP 39 -7.945 40.015 -17.606 321 H TYR 40 HN TYR 40 -11.268 42.554 -18.648 322 HA TYR 40 HA TYR 40 -10.177 44.935 -19.632 323 HB2 TYR 40 HB2 TYR 40 -12.251 44.040 -20.547 324 HB3 TYR 40 HB1 TYR 40 -13.074 44.286 -19.005 325 HD1 TYR 40 HD1 TYR 40 -11.346 46.060 -21.794 326 HD2 TYR 40 HD2 TYR 40 -13.999 46.398 -18.431 327 HE1 TYR 40 HE1 TYR 40 -11.895 48.386 -22.459 328 HE2 TYR 40 HE2 TYR 40 -14.548 48.722 -19.096 329 HH TYR 40 HH TYR 40 -14.432 50.209 -20.845 Start of MODEL 19 1 H1 GLY 1 HT1 GLY 1 6.218 -16.725 1.102 2 H2 GLY 1 HT2 GLY 1 7.909 -16.763 1.257 3 H3 GLY 1 HT3 GLY 1 7.099 -15.276 1.112 4 HA2 GLY 1 HA2 GLY 1 6.378 -17.036 3.342 5 HA3 GLY 1 HA1 GLY 1 7.894 -16.137 3.433 6 H SER 2 HN SER 2 6.665 -15.131 5.288 7 HA SER 2 HA SER 2 4.461 -13.399 4.776 8 HB2 SER 2 HB2 SER 2 4.913 -14.194 7.033 9 HB3 SER 2 HB1 SER 2 6.492 -13.413 7.022 10 HG SER 2 HG SER 2 5.428 -11.418 6.836 11 H VAL 3 HN VAL 3 4.395 -11.276 4.222 12 HA VAL 3 HA VAL 3 6.913 -9.760 4.008 13 HB VAL 3 HB VAL 3 6.265 -8.974 1.744 14 HG11 VAL 3 HG11 VAL 3 7.030 -10.927 0.592 15 HG12 VAL 3 HG12 VAL 3 6.374 -11.998 1.830 16 HG13 VAL 3 HG13 VAL 3 7.773 -10.986 2.190 17 HG21 VAL 3 HG21 VAL 3 3.851 -9.362 1.886 18 HG22 VAL 3 HG22 VAL 3 4.116 -11.100 2.038 19 HG23 VAL 3 HG23 VAL 3 4.513 -10.276 0.530 20 H LYS 4 HN LYS 4 6.017 -7.427 2.923 21 HA LYS 4 HA LYS 4 3.877 -6.553 4.791 22 HB2 LYS 4 HB2 LYS 4 6.230 -5.011 3.664 23 HB3 LYS 4 HB1 LYS 4 4.983 -4.348 4.722 24 HG2 LYS 4 HG2 LYS 4 5.591 -5.997 6.464 25 HG3 LYS 4 HG1 LYS 4 6.858 -6.629 5.411 26 HD2 LYS 4 HD2 LYS 4 7.916 -4.379 5.375 27 HD3 LYS 4 HD1 LYS 4 6.686 -3.804 6.500 28 HE2 LYS 4 HE2 LYS 4 8.612 -6.084 7.037 29 HE3 LYS 4 HE1 LYS 4 8.766 -4.450 7.682 30 HZ1 LYS 4 HZ1 LYS 4 7.676 -5.528 9.371 31 HZ2 LYS 4 HZ2 LYS 4 6.783 -6.524 8.324 32 HZ3 LYS 4 HZ3 LYS 4 6.364 -4.887 8.506 33 H LYS 5 HN LYS 5 2.045 -6.394 3.648 34 HA LYS 5 HA LYS 5 2.098 -5.452 0.862 35 HB2 LYS 5 HB2 LYS 5 -0.126 -6.553 2.595 36 HB3 LYS 5 HB1 LYS 5 -0.318 -6.055 0.913 37 HG2 LYS 5 HG2 LYS 5 1.392 -7.702 0.229 38 HG3 LYS 5 HG1 LYS 5 1.576 -8.204 1.910 39 HD2 LYS 5 HD2 LYS 5 -0.803 -8.874 1.970 40 HD3 LYS 5 HD1 LYS 5 -0.976 -8.392 0.282 41 HE2 LYS 5 HE2 LYS 5 0.967 -10.496 1.279 42 HE3 LYS 5 HE1 LYS 5 -0.595 -10.846 0.538 43 HZ1 LYS 5 HZ1 LYS 5 0.484 -9.171 -1.247 44 HZ2 LYS 5 HZ2 LYS 5 0.595 -10.864 -1.343 45 HZ3 LYS 5 HZ3 LYS 5 1.875 -9.962 -0.684 46 H LEU 6 HN LEU 6 1.900 -4.163 3.922 47 HA LEU 6 HA LEU 6 -0.156 -2.238 3.677 48 HB2 LEU 6 HB2 LEU 6 0.897 -2.751 5.851 49 HB3 LEU 6 HB1 LEU 6 2.416 -2.061 5.283 50 HG LEU 6 HG LEU 6 1.303 0.141 5.001 51 HD11 LEU 6 HD11 LEU 6 -1.009 0.259 6.261 52 HD12 LEU 6 HD12 LEU 6 -1.104 -1.458 5.862 53 HD13 LEU 6 HD13 LEU 6 -0.965 -0.255 4.578 54 HD21 LEU 6 HD21 LEU 6 2.407 -0.155 7.081 55 HD22 LEU 6 HD22 LEU 6 1.153 -1.238 7.686 56 HD23 LEU 6 HD23 LEU 6 0.816 0.483 7.497 57 H ASN 7 HN ASN 7 3.296 -2.137 2.875 58 HA ASN 7 HA ASN 7 3.435 0.571 2.135 59 HB2 ASN 7 HB2 ASN 7 5.011 -1.842 1.229 60 HB3 ASN 7 HB1 ASN 7 5.399 -0.196 0.730 61 HD21 ASN 7 HD21 ASN 7 5.961 1.368 2.516 62 HD22 ASN 7 HD22 ASN 7 6.614 0.762 3.961 63 H ASP 8 HN ASP 8 2.543 -2.317 0.298 64 HA ASP 8 HA ASP 8 2.404 -1.134 -2.256 65 HB2 ASP 8 HB2 ASP 8 2.317 -3.597 -1.719 66 HB3 ASP 8 HB1 ASP 8 0.651 -3.358 -1.200 67 H GLU 9 HN GLU 9 -0.047 -1.533 0.290 68 HA GLU 9 HA GLU 9 -2.183 -0.363 -1.159 69 HB2 GLU 9 HB2 GLU 9 -1.767 -0.668 1.832 70 HB3 GLU 9 HB1 GLU 9 -3.250 -0.068 1.096 71 HG2 GLU 9 HG2 GLU 9 -2.010 -2.726 0.361 72 HG3 GLU 9 HG1 GLU 9 -3.234 -2.550 1.617 73 H VAL 10 HN VAL 10 0.299 1.011 0.978 74 HA VAL 10 HA VAL 10 -0.787 3.597 1.106 75 HB VAL 10 HB VAL 10 2.031 2.541 1.513 76 HG11 VAL 10 HG11 VAL 10 2.295 4.806 0.873 77 HG12 VAL 10 HG12 VAL 10 2.343 4.786 2.634 78 HG13 VAL 10 HG13 VAL 10 0.882 5.307 1.797 79 HG21 VAL 10 HG21 VAL 10 0.083 1.944 3.088 80 HG22 VAL 10 HG22 VAL 10 0.075 3.652 3.529 81 HG23 VAL 10 HG23 VAL 10 1.513 2.672 3.816 82 H ALA 11 HN ALA 11 1.422 1.998 -1.173 83 HA ALA 11 HA ALA 11 2.234 4.295 -2.587 84 HB1 ALA 11 HB1 ALA 11 1.861 1.476 -3.635 85 HB2 ALA 11 HB2 ALA 11 3.323 2.098 -2.866 86 HB3 ALA 11 HB3 ALA 11 2.793 2.752 -4.415 87 H LEU 12 HN LEU 12 -0.537 2.121 -3.062 88 HA LEU 12 HA LEU 12 -1.480 3.416 -5.406 89 HB2 LEU 12 HB2 LEU 12 -2.907 1.666 -3.389 90 HB3 LEU 12 HB1 LEU 12 -3.616 2.212 -4.906 91 HG LEU 12 HG LEU 12 -1.019 0.664 -4.711 92 HD11 LEU 12 HD11 LEU 12 -2.314 -1.297 -5.375 93 HD12 LEU 12 HD12 LEU 12 -3.792 -0.334 -5.419 94 HD13 LEU 12 HD13 LEU 12 -2.977 -0.630 -3.883 95 HD21 LEU 12 HD21 LEU 12 -0.954 1.675 -6.814 96 HD22 LEU 12 HD22 LEU 12 -2.709 1.715 -6.977 97 HD23 LEU 12 HD23 LEU 12 -1.832 0.202 -7.204 98 H GLU 13 HN GLU 13 -2.124 3.911 -1.958 99 HA GLU 13 HA GLU 13 -4.287 5.699 -2.270 100 HB2 GLU 13 HB2 GLU 13 -3.576 4.520 -0.152 101 HB3 GLU 13 HB1 GLU 13 -2.260 5.684 -0.028 102 HG2 GLU 13 HG2 GLU 13 -5.141 6.563 -0.302 103 HG3 GLU 13 HG1 GLU 13 -4.414 6.222 1.265 104 H ARG 14 HN ARG 14 -0.779 6.184 -2.088 105 HA ARG 14 HA ARG 14 -0.787 8.996 -1.986 106 HB2 ARG 14 HB2 ARG 14 1.194 7.468 -1.578 107 HB3 ARG 14 HB1 ARG 14 1.296 7.263 -3.323 108 HG2 ARG 14 HG2 ARG 14 2.835 8.999 -2.862 109 HG3 ARG 14 HG1 ARG 14 1.403 9.840 -3.449 110 HD2 ARG 14 HD2 ARG 14 0.754 10.462 -1.216 111 HD3 ARG 14 HD1 ARG 14 1.950 9.385 -0.501 112 HE ARG 14 HE ARG 14 2.427 12.020 -1.639 113 HH11 ARG 14 HH11 ARG 14 4.540 12.818 -1.337 114 HH12 ARG 14 HH12 ARG 14 5.792 11.749 -0.798 115 HH21 ARG 14 HH21 ARG 14 3.718 8.972 -0.637 116 HH22 ARG 14 HH22 ARG 14 5.327 9.570 -0.402 117 H LEU 15 HN LEU 15 -0.766 6.739 -4.711 118 HA LEU 15 HA LEU 15 -0.448 8.649 -6.758 119 HB2 LEU 15 HB2 LEU 15 -1.764 5.915 -6.773 120 HB3 LEU 15 HB1 LEU 15 -1.489 6.874 -8.224 121 HG LEU 15 HG LEU 15 0.704 6.070 -6.291 122 HD11 LEU 15 HD11 LEU 15 -0.197 4.052 -7.258 123 HD12 LEU 15 HD12 LEU 15 1.305 4.421 -8.107 124 HD13 LEU 15 HD13 LEU 15 -0.248 4.780 -8.861 125 HD21 LEU 15 HD21 LEU 15 2.012 6.525 -8.567 126 HD22 LEU 15 HD22 LEU 15 1.593 7.859 -7.497 127 HD23 LEU 15 HD23 LEU 15 0.611 7.535 -8.926 128 H LYS 16 HN LYS 16 -3.280 7.473 -5.026 129 HA LYS 16 HA LYS 16 -5.234 8.683 -6.705 130 HB2 LYS 16 HB2 LYS 16 -5.330 7.864 -3.780 131 HB3 LYS 16 HB1 LYS 16 -6.724 8.459 -4.676 132 HG2 LYS 16 HG2 LYS 16 -5.105 6.171 -5.786 133 HG3 LYS 16 HG1 LYS 16 -6.289 5.869 -4.519 134 HD2 LYS 16 HD2 LYS 16 -8.030 6.967 -5.930 135 HD3 LYS 16 HD1 LYS 16 -6.841 7.135 -7.222 136 HE2 LYS 16 HE2 LYS 16 -8.177 5.114 -7.582 137 HE3 LYS 16 HE1 LYS 16 -6.508 4.678 -7.215 138 HZ1 LYS 16 HZ1 LYS 16 -7.798 4.884 -4.786 139 HZ2 LYS 16 HZ2 LYS 16 -7.287 3.459 -5.558 140 HZ3 LYS 16 HZ3 LYS 16 -8.869 4.036 -5.790 141 H ASN 17 HN ASN 17 -3.399 9.853 -3.906 142 HA ASN 17 HA ASN 17 -4.824 12.268 -3.537 143 HB2 ASN 17 HB2 ASN 17 -1.969 11.493 -2.918 144 HB3 ASN 17 HB1 ASN 17 -2.700 13.018 -2.413 145 HD21 ASN 17 HD21 ASN 17 -5.227 12.302 -1.575 146 HD22 ASN 17 HD22 ASN 17 -5.141 11.170 -0.313 147 H GLU 18 HN GLU 18 -2.073 11.377 -5.561 148 HA GLU 18 HA GLU 18 -1.396 13.978 -6.456 149 HB2 GLU 18 HB2 GLU 18 0.066 11.999 -6.795 150 HB3 GLU 18 HB1 GLU 18 -1.095 11.363 -7.960 151 HG2 GLU 18 HG2 GLU 18 -0.777 13.332 -9.388 152 HG3 GLU 18 HG1 GLU 18 0.333 14.026 -8.207 153 H ARG 19 HN ARG 19 -3.595 11.535 -7.785 154 HA ARG 19 HA ARG 19 -4.324 12.967 -10.109 155 HB2 ARG 19 HB2 ARG 19 -4.800 10.553 -9.795 156 HB3 ARG 19 HB1 ARG 19 -6.000 10.965 -8.568 157 HG2 ARG 19 HG2 ARG 19 -7.324 12.185 -10.194 158 HG3 ARG 19 HG1 ARG 19 -6.083 11.961 -11.429 159 HD2 ARG 19 HD2 ARG 19 -7.862 10.322 -11.765 160 HD3 ARG 19 HD1 ARG 19 -6.391 9.500 -11.254 161 HE ARG 19 HE ARG 19 -7.451 8.928 -9.255 162 HH11 ARG 19 HH11 ARG 19 -9.300 8.766 -7.942 163 HH12 ARG 19 HH12 ARG 19 -10.685 9.750 -8.282 164 HH21 ARG 19 HH21 ARG 19 -9.233 11.305 -11.022 165 HH22 ARG 19 HH22 ARG 19 -10.646 11.190 -10.027 166 H HIS 20 HN HIS 20 -5.723 12.890 -6.855 167 HA HIS 20 HA HIS 20 -7.974 14.496 -7.371 168 HB2 HIS 20 HB2 HIS 20 -7.722 13.194 -5.312 169 HB3 HIS 20 HB1 HIS 20 -6.384 14.228 -4.812 170 HD2 HIS 20 HD2 HIS 20 -7.229 16.388 -3.306 171 HE1 HIS 20 HE1 HIS 20 -11.263 16.443 -4.553 172 HE2 HIS 20 HE2 HIS 20 -9.563 17.520 -3.005 173 H VAL 21 HN VAL 21 -4.677 15.382 -6.361 174 HA VAL 21 HA VAL 21 -5.127 18.132 -6.041 175 HB VAL 21 HB VAL 21 -2.665 16.499 -6.684 176 HG11 VAL 21 HG11 VAL 21 -2.159 18.626 -7.574 177 HG12 VAL 21 HG12 VAL 21 -1.470 18.649 -5.952 178 HG13 VAL 21 HG13 VAL 21 -3.001 19.465 -6.273 179 HG21 VAL 21 HG21 VAL 21 -3.327 18.053 -4.170 180 HG22 VAL 21 HG22 VAL 21 -2.146 16.761 -4.376 181 HG23 VAL 21 HG23 VAL 21 -3.868 16.391 -4.391 182 H HIS 22 HN HIS 22 -4.082 16.200 -8.838 183 HA HIS 22 HA HIS 22 -3.624 18.340 -10.596 184 HB2 HIS 22 HB2 HIS 22 -2.832 16.106 -11.118 185 HB3 HIS 22 HB1 HIS 22 -4.479 15.495 -11.223 186 HD2 HIS 22 HD2 HIS 22 -5.703 15.911 -13.702 187 HE1 HIS 22 HE1 HIS 22 -2.716 18.390 -15.362 188 HE2 HIS 22 HE2 HIS 22 -4.872 17.141 -15.850 189 H ASP 23 HN ASP 23 -6.603 16.519 -9.891 190 HA ASP 23 HA ASP 23 -8.209 17.696 -11.891 191 HB2 ASP 23 HB2 ASP 23 -8.895 16.517 -9.190 192 HB3 ASP 23 HB1 ASP 23 -10.105 17.043 -10.359 193 H GLU 24 HN GLU 24 -7.511 18.645 -8.546 194 HA GLU 24 HA GLU 24 -9.306 20.855 -8.503 195 HB2 GLU 24 HB2 GLU 24 -8.444 19.858 -6.420 196 HB3 GLU 24 HB1 GLU 24 -6.822 20.427 -6.806 197 HG2 GLU 24 HG2 GLU 24 -7.611 22.752 -6.777 198 HG3 GLU 24 HG1 GLU 24 -9.253 22.201 -6.445 199 H GLU 25 HN GLU 25 -5.894 20.525 -9.387 200 HA GLU 25 HA GLU 25 -5.294 23.275 -9.675 201 HB2 GLU 25 HB2 GLU 25 -3.605 21.428 -9.631 202 HB3 GLU 25 HB1 GLU 25 -4.104 20.965 -11.252 203 HG2 GLU 25 HG2 GLU 25 -3.220 23.782 -10.613 204 HG3 GLU 25 HG1 GLU 25 -2.070 22.522 -11.052 205 H VAL 26 HN VAL 26 -6.759 20.944 -11.907 206 HA VAL 26 HA VAL 26 -6.702 22.645 -14.188 207 HB VAL 26 HB VAL 26 -8.343 20.186 -13.528 208 HG11 VAL 26 HG11 VAL 26 -8.870 20.286 -16.047 209 HG12 VAL 26 HG12 VAL 26 -8.396 21.983 -15.962 210 HG13 VAL 26 HG13 VAL 26 -9.759 21.397 -15.008 211 HG21 VAL 26 HG21 VAL 26 -6.851 19.049 -14.967 212 HG22 VAL 26 HG22 VAL 26 -5.772 20.152 -14.120 213 HG23 VAL 26 HG23 VAL 26 -6.313 20.537 -15.747 214 H GLU 27 HN GLU 27 -9.079 22.056 -11.627 215 HA GLU 27 HA GLU 27 -11.209 23.516 -12.744 216 HB2 GLU 27 HB2 GLU 27 -11.431 22.041 -10.772 217 HB3 GLU 27 HB1 GLU 27 -10.493 23.189 -9.821 218 HG2 GLU 27 HG2 GLU 27 -12.883 23.530 -9.420 219 HG3 GLU 27 HG1 GLU 27 -12.216 24.931 -10.252 220 H LEU 28 HN LEU 28 -8.567 24.581 -10.599 221 HA LEU 28 HA LEU 28 -9.461 27.289 -10.490 222 HB2 LEU 28 HB2 LEU 28 -6.963 25.833 -9.702 223 HB3 LEU 28 HB1 LEU 28 -6.876 27.588 -9.855 224 HG LEU 28 HG LEU 28 -8.767 27.822 -8.294 225 HD11 LEU 28 HD11 LEU 28 -8.619 24.795 -8.211 226 HD12 LEU 28 HD12 LEU 28 -9.977 25.772 -8.771 227 HD13 LEU 28 HD13 LEU 28 -9.535 25.771 -7.063 228 HD21 LEU 28 HD21 LEU 28 -7.591 26.794 -6.264 229 HD22 LEU 28 HD22 LEU 28 -6.616 27.874 -7.259 230 HD23 LEU 28 HD23 LEU 28 -6.422 26.128 -7.404 231 H GLU 29 HN GLU 29 -7.313 25.506 -12.643 232 HA GLU 29 HA GLU 29 -6.196 27.719 -13.993 233 HB2 GLU 29 HB2 GLU 29 -5.348 25.383 -14.228 234 HB3 GLU 29 HB1 GLU 29 -6.815 24.964 -15.116 235 HG2 GLU 29 HG2 GLU 29 -5.016 25.442 -16.689 236 HG3 GLU 29 HG1 GLU 29 -6.246 26.697 -16.813 237 H ARG 30 HN ARG 30 -9.134 25.824 -14.528 238 HA ARG 30 HA ARG 30 -9.940 27.091 -16.918 239 HB2 ARG 30 HB2 ARG 30 -10.809 24.930 -15.613 240 HB3 ARG 30 HB1 ARG 30 -11.980 26.072 -14.960 241 HG2 ARG 30 HG2 ARG 30 -11.475 25.484 -17.893 242 HG3 ARG 30 HG1 ARG 30 -12.897 25.024 -16.964 243 HD2 ARG 30 HD2 ARG 30 -13.129 27.587 -16.510 244 HD3 ARG 30 HD1 ARG 30 -12.055 27.757 -17.898 245 HE ARG 30 HE ARG 30 -14.335 26.021 -18.347 246 HH11 ARG 30 HH11 ARG 30 -15.832 26.766 -19.883 247 HH12 ARG 30 HH12 ARG 30 -15.748 28.404 -20.441 248 HH21 ARG 30 HH21 ARG 30 -13.016 29.213 -18.460 249 HH22 ARG 30 HH22 ARG 30 -14.151 29.791 -19.633 250 H LEU 31 HN LEU 31 -10.589 27.797 -13.504 251 HA LEU 31 HA LEU 31 -12.469 29.860 -13.873 252 HB2 LEU 31 HB2 LEU 31 -12.051 28.786 -11.693 253 HB3 LEU 31 HB1 LEU 31 -10.438 29.492 -11.653 254 HG LEU 31 HG LEU 31 -11.438 31.766 -11.674 255 HD11 LEU 31 HD11 LEU 31 -13.977 30.157 -11.909 256 HD12 LEU 31 HD12 LEU 31 -13.501 31.622 -12.766 257 HD13 LEU 31 HD13 LEU 31 -14.011 31.717 -11.084 258 HD21 LEU 31 HD21 LEU 31 -10.937 30.633 -9.534 259 HD22 LEU 31 HD22 LEU 31 -12.561 29.944 -9.523 260 HD23 LEU 31 HD23 LEU 31 -12.342 31.689 -9.387 261 H LYS 32 HN LYS 32 -8.935 29.937 -13.525 262 HA LYS 32 HA LYS 32 -8.628 32.725 -13.637 263 HB2 LYS 32 HB2 LYS 32 -6.851 31.152 -12.932 264 HB3 LYS 32 HB1 LYS 32 -6.663 30.617 -14.598 265 HG2 LYS 32 HG2 LYS 32 -6.177 32.993 -15.245 266 HG3 LYS 32 HG1 LYS 32 -6.217 33.423 -13.537 267 HD2 LYS 32 HD2 LYS 32 -4.393 31.272 -14.632 268 HD3 LYS 32 HD1 LYS 32 -3.905 32.960 -14.522 269 HE2 LYS 32 HE2 LYS 32 -4.471 32.866 -12.056 270 HE3 LYS 32 HE1 LYS 32 -4.684 31.125 -12.239 271 HZ1 LYS 32 HZ1 LYS 32 -2.230 32.255 -13.314 272 HZ2 LYS 32 HZ2 LYS 32 -2.491 30.780 -12.514 273 HZ3 LYS 32 HZ3 LYS 32 -2.365 32.222 -11.623 274 H ASN 33 HN ASN 33 -8.902 30.293 -16.178 275 HA ASN 33 HA ASN 33 -8.185 31.925 -18.362 276 HB2 ASN 33 HB2 ASN 33 -8.442 29.448 -18.468 277 HB3 ASN 33 HB1 ASN 33 -10.190 29.655 -18.349 278 HD21 ASN 33 HD21 ASN 33 -8.920 28.461 -20.638 279 HD22 ASN 33 HD22 ASN 33 -9.167 29.489 -21.964 280 H GLU 34 HN GLU 34 -11.296 31.400 -16.734 281 HA GLU 34 HA GLU 34 -12.923 32.825 -18.538 282 HB2 GLU 34 HB2 GLU 34 -13.153 32.374 -15.559 283 HB3 GLU 34 HB1 GLU 34 -14.422 33.118 -16.533 284 HG2 GLU 34 HG2 GLU 34 -14.629 31.123 -17.892 285 HG3 GLU 34 HG1 GLU 34 -13.238 30.387 -17.097 286 H ARG 35 HN ARG 35 -11.179 33.894 -15.615 287 HA ARG 35 HA ARG 35 -12.043 36.606 -15.831 288 HB2 ARG 35 HB2 ARG 35 -9.817 35.282 -14.271 289 HB3 ARG 35 HB1 ARG 35 -9.922 37.037 -14.359 290 HG2 ARG 35 HG2 ARG 35 -11.108 36.264 -12.378 291 HG3 ARG 35 HG1 ARG 35 -12.273 36.908 -13.533 292 HD2 ARG 35 HD2 ARG 35 -12.897 34.691 -14.241 293 HD3 ARG 35 HD1 ARG 35 -11.581 33.973 -13.318 294 HE ARG 35 HE ARG 35 -14.133 34.863 -12.285 295 HH11 ARG 35 HH11 ARG 35 -14.465 34.474 -10.073 296 HH12 ARG 35 HH12 ARG 35 -13.124 34.048 -9.063 297 HH21 ARG 35 HH21 ARG 35 -10.806 34.187 -11.643 298 HH22 ARG 35 HH22 ARG 35 -11.047 33.885 -9.953 299 H HIS 36 HN HIS 36 -9.270 34.844 -17.103 300 HA HIS 36 HA HIS 36 -7.830 37.078 -18.040 301 HB2 HIS 36 HB2 HIS 36 -6.840 34.819 -17.829 302 HB3 HIS 36 HB1 HIS 36 -7.815 34.265 -19.188 303 HD2 HIS 36 HD2 HIS 36 -6.567 34.670 -21.623 304 HE1 HIS 36 HE1 HIS 36 -3.758 37.556 -20.352 305 HE2 HIS 36 HE2 HIS 36 -4.513 36.129 -22.313 306 H ASP 37 HN ASP 37 -10.398 35.136 -19.582 307 HA ASP 37 HA ASP 37 -10.212 36.704 -22.038 308 HB2 ASP 37 HB2 ASP 37 -11.960 35.190 -22.845 309 HB3 ASP 37 HB1 ASP 37 -10.634 34.277 -22.131 310 H HIS 38 HN HIS 38 -11.652 37.076 -19.051 311 HA HIS 38 HA HIS 38 -13.942 38.630 -20.130 312 HB2 HIS 38 HB2 HIS 38 -14.396 36.795 -18.458 313 HB3 HIS 38 HB1 HIS 38 -13.494 37.741 -17.274 314 HD2 HIS 38 HD2 HIS 38 -16.955 37.832 -19.107 315 HE1 HIS 38 HE1 HIS 38 -16.824 41.092 -16.428 316 HE2 HIS 38 HE2 HIS 38 -18.312 39.774 -18.008 317 H ASP 39 HN ASP 39 -10.941 39.324 -19.740 318 HA ASP 39 HA ASP 39 -9.684 41.093 -18.948 319 HB2 ASP 39 HB2 ASP 39 -10.562 43.210 -19.563 320 HB3 ASP 39 HB1 ASP 39 -11.262 42.060 -20.700 321 H TYR 40 HN TYR 40 -11.235 39.565 -16.926 322 HA TYR 40 HA TYR 40 -11.745 39.667 -14.691 323 HB2 TYR 40 HB2 TYR 40 -9.448 40.461 -14.501 324 HB3 TYR 40 HB1 TYR 40 -9.960 42.108 -14.869 325 HD1 TYR 40 HD1 TYR 40 -10.394 39.325 -12.431 326 HD2 TYR 40 HD2 TYR 40 -10.796 43.536 -13.166 327 HE1 TYR 40 HE1 TYR 40 -10.901 39.694 -10.033 328 HE2 TYR 40 HE2 TYR 40 -11.303 43.906 -10.766 329 HH TYR 40 HH TYR 40 -10.628 41.816 -8.404 Start of MODEL 20 1 H1 GLY 1 HT1 GLY 1 5.845 -14.790 -2.386 2 H2 GLY 1 HT2 GLY 1 5.763 -13.626 -1.150 3 H3 GLY 1 HT3 GLY 1 4.532 -13.719 -2.318 4 HA2 GLY 1 HA2 GLY 1 4.249 -16.130 -1.457 5 HA3 GLY 1 HA1 GLY 1 5.066 -15.486 -0.031 6 H SER 2 HN SER 2 2.359 -14.841 -2.243 7 HA SER 2 HA SER 2 0.301 -13.886 -1.915 8 HB2 SER 2 HB2 SER 2 0.760 -14.805 0.933 9 HB3 SER 2 HB1 SER 2 -0.785 -14.310 0.252 10 HG SER 2 HG SER 2 -0.911 -16.346 -0.272 11 H VAL 3 HN VAL 3 2.510 -12.127 -1.837 12 HA VAL 3 HA VAL 3 1.668 -10.110 0.178 13 HB VAL 3 HB VAL 3 3.940 -9.123 -0.203 14 HG11 VAL 3 HG11 VAL 3 3.490 -10.661 1.688 15 HG12 VAL 3 HG12 VAL 3 5.140 -10.839 1.089 16 HG13 VAL 3 HG13 VAL 3 3.914 -12.031 0.662 17 HG21 VAL 3 HG21 VAL 3 5.612 -10.477 -1.374 18 HG22 VAL 3 HG22 VAL 3 4.273 -10.121 -2.463 19 HG23 VAL 3 HG23 VAL 3 4.403 -11.714 -1.716 20 H LYS 4 HN LYS 4 1.963 -10.885 -3.157 21 HA LYS 4 HA LYS 4 2.045 -8.251 -4.242 22 HB2 LYS 4 HB2 LYS 4 2.512 -10.472 -5.476 23 HB3 LYS 4 HB1 LYS 4 0.761 -10.615 -5.620 24 HG2 LYS 4 HG2 LYS 4 1.292 -9.519 -7.610 25 HG3 LYS 4 HG1 LYS 4 0.915 -8.156 -6.561 26 HD2 LYS 4 HD2 LYS 4 3.300 -7.796 -6.120 27 HD3 LYS 4 HD1 LYS 4 3.712 -9.225 -7.066 28 HE2 LYS 4 HE2 LYS 4 4.032 -7.298 -8.481 29 HE3 LYS 4 HE1 LYS 4 2.587 -8.137 -9.042 30 HZ1 LYS 4 HZ1 LYS 4 1.931 -5.933 -8.931 31 HZ2 LYS 4 HZ2 LYS 4 2.786 -5.633 -7.493 32 HZ3 LYS 4 HZ3 LYS 4 1.363 -6.561 -7.462 33 H LYS 5 HN LYS 5 0.472 -7.361 -2.665 34 HA LYS 5 HA LYS 5 -2.034 -6.923 -3.951 35 HB2 LYS 5 HB2 LYS 5 -3.500 -7.870 -2.229 36 HB3 LYS 5 HB1 LYS 5 -2.511 -9.137 -2.955 37 HG2 LYS 5 HG2 LYS 5 -0.914 -8.947 -1.052 38 HG3 LYS 5 HG1 LYS 5 -1.972 -7.745 -0.312 39 HD2 LYS 5 HD2 LYS 5 -3.803 -9.385 -0.228 40 HD3 LYS 5 HD1 LYS 5 -2.750 -10.598 -0.960 41 HE2 LYS 5 HE2 LYS 5 -1.194 -10.402 0.949 42 HE3 LYS 5 HE1 LYS 5 -2.247 -9.194 1.682 43 HZ1 LYS 5 HZ1 LYS 5 -3.320 -10.871 2.625 44 HZ2 LYS 5 HZ2 LYS 5 -2.466 -12.027 1.717 45 HZ3 LYS 5 HZ3 LYS 5 -3.879 -11.322 1.089 46 H LEU 6 HN LEU 6 -0.073 -6.726 -1.030 47 HA LEU 6 HA LEU 6 -1.508 -4.607 0.201 48 HB2 LEU 6 HB2 LEU 6 0.120 -5.977 1.447 49 HB3 LEU 6 HB1 LEU 6 1.432 -5.312 0.473 50 HG LEU 6 HG LEU 6 0.915 -3.047 1.321 51 HD11 LEU 6 HD11 LEU 6 -0.666 -3.120 3.449 52 HD12 LEU 6 HD12 LEU 6 -1.352 -4.529 2.642 53 HD13 LEU 6 HD13 LEU 6 -1.364 -2.960 1.837 54 HD21 LEU 6 HD21 LEU 6 1.490 -3.551 3.765 55 HD22 LEU 6 HD22 LEU 6 2.576 -4.233 2.553 56 HD23 LEU 6 HD23 LEU 6 1.370 -5.258 3.336 57 H ASN 7 HN ASN 7 1.279 -4.628 -1.998 58 HA ASN 7 HA ASN 7 1.679 -1.821 -1.998 59 HB2 ASN 7 HB2 ASN 7 3.074 -2.197 -3.934 60 HB3 ASN 7 HB1 ASN 7 3.348 -3.507 -2.788 61 HD21 ASN 7 HD21 ASN 7 3.804 -3.709 -5.672 62 HD22 ASN 7 HD22 ASN 7 2.734 -4.889 -6.259 63 H ASP 8 HN ASP 8 -0.388 -3.971 -3.855 64 HA ASP 8 HA ASP 8 -1.124 -2.171 -5.898 65 HB2 ASP 8 HB2 ASP 8 -2.566 -4.511 -4.644 66 HB3 ASP 8 HB1 ASP 8 -3.196 -3.624 -6.031 67 H GLU 9 HN GLU 9 -2.471 -2.784 -2.674 68 HA GLU 9 HA GLU 9 -4.679 -1.022 -2.943 69 HB2 GLU 9 HB2 GLU 9 -3.276 -2.058 -0.459 70 HB3 GLU 9 HB1 GLU 9 -4.753 -1.101 -0.435 71 HG2 GLU 9 HG2 GLU 9 -4.488 -3.670 -2.008 72 HG3 GLU 9 HG1 GLU 9 -5.093 -3.612 -0.353 73 H VAL 10 HN VAL 10 -1.345 -0.548 -1.777 74 HA VAL 10 HA VAL 10 -1.754 2.093 -0.888 75 HB VAL 10 HB VAL 10 0.754 0.554 -1.629 76 HG11 VAL 10 HG11 VAL 10 1.872 2.445 -0.382 77 HG12 VAL 10 HG12 VAL 10 0.366 3.342 -0.575 78 HG13 VAL 10 HG13 VAL 10 1.274 2.830 -1.994 79 HG21 VAL 10 HG21 VAL 10 -0.258 1.508 1.056 80 HG22 VAL 10 HG22 VAL 10 1.029 0.345 0.734 81 HG23 VAL 10 HG23 VAL 10 -0.649 -0.081 0.400 82 H ALA 11 HN ALA 11 -0.756 0.672 -3.991 83 HA ALA 11 HA ALA 11 -0.018 3.085 -5.263 84 HB1 ALA 11 HB1 ALA 11 -0.286 1.866 -7.362 85 HB2 ALA 11 HB2 ALA 11 -1.182 0.592 -6.538 86 HB3 ALA 11 HB3 ALA 11 0.528 0.845 -6.177 87 H LEU 12 HN LEU 12 -3.135 1.404 -5.004 88 HA LEU 12 HA LEU 12 -4.545 3.116 -6.751 89 HB2 LEU 12 HB2 LEU 12 -5.420 0.921 -6.113 90 HB3 LEU 12 HB1 LEU 12 -5.601 1.445 -4.445 91 HG LEU 12 HG LEU 12 -7.194 3.206 -5.196 92 HD11 LEU 12 HD11 LEU 12 -8.093 2.700 -7.638 93 HD12 LEU 12 HD12 LEU 12 -6.470 2.054 -7.881 94 HD13 LEU 12 HD13 LEU 12 -6.686 3.739 -7.410 95 HD21 LEU 12 HD21 LEU 12 -7.970 0.463 -6.223 96 HD22 LEU 12 HD22 LEU 12 -9.044 1.706 -5.579 97 HD23 LEU 12 HD23 LEU 12 -7.908 0.883 -4.511 98 H GLU 13 HN GLU 13 -3.918 3.282 -3.255 99 HA GLU 13 HA GLU 13 -5.647 5.453 -2.703 100 HB2 GLU 13 HB2 GLU 13 -3.139 4.462 -1.336 101 HB3 GLU 13 HB1 GLU 13 -4.121 5.784 -0.706 102 HG2 GLU 13 HG2 GLU 13 -5.265 3.053 -1.351 103 HG3 GLU 13 HG1 GLU 13 -4.663 3.489 0.245 104 H ARG 14 HN ARG 14 -2.233 5.296 -3.652 105 HA ARG 14 HA ARG 14 -1.740 8.090 -3.477 106 HB2 ARG 14 HB2 ARG 14 -0.375 5.888 -5.032 107 HB3 ARG 14 HB1 ARG 14 0.219 7.550 -4.961 108 HG2 ARG 14 HG2 ARG 14 0.405 7.423 -2.530 109 HG3 ARG 14 HG1 ARG 14 -0.293 5.804 -2.535 110 HD2 ARG 14 HD2 ARG 14 2.132 5.629 -2.369 111 HD3 ARG 14 HD1 ARG 14 1.605 5.020 -3.936 112 HE ARG 14 HE ARG 14 2.681 6.825 -4.956 113 HH11 ARG 14 HH11 ARG 14 4.084 8.611 -4.904 114 HH12 ARG 14 HH12 ARG 14 4.453 9.372 -3.392 115 HH21 ARG 14 HH21 ARG 14 2.469 7.228 -1.525 116 HH22 ARG 14 HH22 ARG 14 3.539 8.589 -1.480 117 H LEU 15 HN LEU 15 -2.879 5.978 -6.066 118 HA LEU 15 HA LEU 15 -2.723 7.820 -8.180 119 HB2 LEU 15 HB2 LEU 15 -3.109 5.431 -8.567 120 HB3 LEU 15 HB1 LEU 15 -4.679 5.524 -7.789 121 HG LEU 15 HG LEU 15 -5.415 7.154 -9.533 122 HD11 LEU 15 HD11 LEU 15 -3.833 7.077 -11.646 123 HD12 LEU 15 HD12 LEU 15 -2.581 6.721 -10.457 124 HD13 LEU 15 HD13 LEU 15 -3.500 8.220 -10.345 125 HD21 LEU 15 HD21 LEU 15 -5.563 5.496 -11.362 126 HD22 LEU 15 HD22 LEU 15 -5.864 4.747 -9.794 127 HD23 LEU 15 HD23 LEU 15 -4.304 4.533 -10.589 128 H LYS 16 HN LYS 16 -5.297 7.234 -5.788 129 HA LYS 16 HA LYS 16 -7.137 9.074 -6.970 130 HB2 LYS 16 HB2 LYS 16 -7.002 7.902 -4.175 131 HB3 LYS 16 HB1 LYS 16 -8.301 8.946 -4.748 132 HG2 LYS 16 HG2 LYS 16 -8.788 7.369 -6.568 133 HG3 LYS 16 HG1 LYS 16 -7.474 6.325 -6.023 134 HD2 LYS 16 HD2 LYS 16 -8.593 6.027 -3.854 135 HD3 LYS 16 HD1 LYS 16 -9.905 7.082 -4.378 136 HE2 LYS 16 HE2 LYS 16 -10.436 5.520 -6.211 137 HE3 LYS 16 HE1 LYS 16 -9.121 4.464 -5.693 138 HZ1 LYS 16 HZ1 LYS 16 -11.591 4.135 -4.862 139 HZ2 LYS 16 HZ2 LYS 16 -11.083 5.245 -3.682 140 HZ3 LYS 16 HZ3 LYS 16 -10.258 3.774 -3.878 141 H ASN 17 HN ASN 17 -4.620 9.364 -4.487 142 HA ASN 17 HA ASN 17 -5.295 11.949 -3.586 143 HB2 ASN 17 HB2 ASN 17 -2.676 10.445 -3.674 144 HB3 ASN 17 HB1 ASN 17 -2.854 12.025 -2.911 145 HD21 ASN 17 HD21 ASN 17 -2.169 9.670 -1.403 146 HD22 ASN 17 HD22 ASN 17 -3.460 9.326 -0.358 147 H GLU 18 HN GLU 18 -3.205 10.814 -6.214 148 HA GLU 18 HA GLU 18 -2.247 13.408 -6.938 149 HB2 GLU 18 HB2 GLU 18 -2.399 10.844 -8.540 150 HB3 GLU 18 HB1 GLU 18 -1.573 12.307 -9.072 151 HG2 GLU 18 HG2 GLU 18 -0.954 10.895 -6.466 152 HG3 GLU 18 HG1 GLU 18 -0.064 10.617 -7.962 153 H ARG 19 HN ARG 19 -4.940 11.413 -8.011 154 HA ARG 19 HA ARG 19 -5.759 12.994 -10.195 155 HB2 ARG 19 HB2 ARG 19 -6.621 10.715 -9.800 156 HB3 ARG 19 HB1 ARG 19 -7.481 11.292 -8.370 157 HG2 ARG 19 HG2 ARG 19 -8.823 12.801 -9.747 158 HG3 ARG 19 HG1 ARG 19 -7.919 12.327 -11.186 159 HD2 ARG 19 HD2 ARG 19 -9.506 10.405 -9.465 160 HD3 ARG 19 HD1 ARG 19 -10.118 11.139 -10.945 161 HE ARG 19 HE ARG 19 -8.153 9.008 -10.752 162 HH11 ARG 19 HH11 ARG 19 -7.488 8.131 -12.741 163 HH12 ARG 19 HH12 ARG 19 -7.868 8.957 -14.216 164 HH21 ARG 19 HH21 ARG 19 -9.520 11.566 -12.638 165 HH22 ARG 19 HH22 ARG 19 -9.018 10.902 -14.158 166 H HIS 20 HN HIS 20 -6.694 13.100 -6.767 167 HA HIS 20 HA HIS 20 -8.628 15.128 -6.987 168 HB2 HIS 20 HB2 HIS 20 -8.341 13.724 -4.979 169 HB3 HIS 20 HB1 HIS 20 -6.803 14.522 -4.646 170 HD2 HIS 20 HD2 HIS 20 -10.648 15.320 -4.467 171 HE1 HIS 20 HE1 HIS 20 -8.552 18.558 -2.750 172 HE2 HIS 20 HE2 HIS 20 -10.855 17.562 -3.146 173 H VAL 21 HN VAL 21 -5.124 15.348 -6.299 174 HA VAL 21 HA VAL 21 -5.045 18.141 -6.006 175 HB VAL 21 HB VAL 21 -2.968 16.072 -6.745 176 HG11 VAL 21 HG11 VAL 21 -2.143 18.073 -7.697 177 HG12 VAL 21 HG12 VAL 21 -1.360 17.963 -6.123 178 HG13 VAL 21 HG13 VAL 21 -2.728 19.051 -6.356 179 HG21 VAL 21 HG21 VAL 21 -4.035 16.189 -4.395 180 HG22 VAL 21 HG22 VAL 21 -3.218 17.739 -4.227 181 HG23 VAL 21 HG23 VAL 21 -2.276 16.268 -4.469 182 H HIS 22 HN HIS 22 -4.452 16.015 -8.803 183 HA HIS 22 HA HIS 22 -3.809 18.069 -10.619 184 HB2 HIS 22 HB2 HIS 22 -3.270 15.747 -11.109 185 HB3 HIS 22 HB1 HIS 22 -4.976 15.322 -11.173 186 HD2 HIS 22 HD2 HIS 22 -6.126 15.711 -13.675 187 HE1 HIS 22 HE1 HIS 22 -3.037 18.044 -15.359 188 HE2 HIS 22 HE2 HIS 22 -5.246 16.884 -15.836 189 H ASP 23 HN ASP 23 -6.926 16.612 -9.723 190 HA ASP 23 HA ASP 23 -8.488 17.884 -11.698 191 HB2 ASP 23 HB2 ASP 23 -9.183 16.896 -8.922 192 HB3 ASP 23 HB1 ASP 23 -10.373 17.513 -10.065 193 H GLU 24 HN GLU 24 -7.543 18.890 -8.419 194 HA GLU 24 HA GLU 24 -9.122 21.235 -8.354 195 HB2 GLU 24 HB2 GLU 24 -8.135 20.268 -6.308 196 HB3 GLU 24 HB1 GLU 24 -6.522 20.701 -6.867 197 HG2 GLU 24 HG2 GLU 24 -7.305 22.395 -5.318 198 HG3 GLU 24 HG1 GLU 24 -7.241 23.096 -6.930 199 H GLU 25 HN GLU 25 -5.842 20.622 -9.530 200 HA GLU 25 HA GLU 25 -5.130 23.319 -10.041 201 HB2 GLU 25 HB2 GLU 25 -3.476 21.498 -9.975 202 HB3 GLU 25 HB1 GLU 25 -4.164 20.797 -11.434 203 HG2 GLU 25 HG2 GLU 25 -3.622 22.843 -12.691 204 HG3 GLU 25 HG1 GLU 25 -2.964 23.574 -11.228 205 H VAL 26 HN VAL 26 -6.855 20.915 -12.022 206 HA VAL 26 HA VAL 26 -6.875 22.478 -14.399 207 HB VAL 26 HB VAL 26 -8.621 20.182 -13.474 208 HG11 VAL 26 HG11 VAL 26 -9.326 20.162 -15.946 209 HG12 VAL 26 HG12 VAL 26 -8.713 21.813 -16.026 210 HG13 VAL 26 HG13 VAL 26 -10.047 21.420 -14.942 211 HG21 VAL 26 HG21 VAL 26 -7.296 18.845 -14.895 212 HG22 VAL 26 HG22 VAL 26 -6.093 19.957 -14.249 213 HG23 VAL 26 HG23 VAL 26 -6.756 20.215 -15.855 214 H GLU 27 HN GLU 27 -9.161 22.116 -11.701 215 HA GLU 27 HA GLU 27 -11.172 23.793 -12.797 216 HB2 GLU 27 HB2 GLU 27 -10.509 22.897 -9.998 217 HB3 GLU 27 HB1 GLU 27 -11.788 24.078 -10.281 218 HG2 GLU 27 HG2 GLU 27 -12.769 21.856 -10.229 219 HG3 GLU 27 HG1 GLU 27 -12.859 22.474 -11.874 220 H LEU 28 HN LEU 28 -8.392 24.518 -10.691 221 HA LEU 28 HA LEU 28 -9.041 27.234 -10.327 222 HB2 LEU 28 HB2 LEU 28 -7.519 26.079 -8.820 223 HB3 LEU 28 HB1 LEU 28 -6.377 25.793 -10.126 224 HG LEU 28 HG LEU 28 -6.129 28.233 -10.412 225 HD11 LEU 28 HD11 LEU 28 -8.203 28.247 -8.232 226 HD12 LEU 28 HD12 LEU 28 -8.091 29.260 -9.672 227 HD13 LEU 28 HD13 LEU 28 -7.027 29.560 -8.303 228 HD21 LEU 28 HD21 LEU 28 -4.702 26.826 -8.845 229 HD22 LEU 28 HD22 LEU 28 -5.689 27.455 -7.525 230 HD23 LEU 28 HD23 LEU 28 -4.720 28.557 -8.504 231 H GLU 29 HN GLU 29 -7.073 25.533 -12.757 232 HA GLU 29 HA GLU 29 -6.033 27.844 -14.015 233 HB2 GLU 29 HB2 GLU 29 -5.164 25.509 -14.335 234 HB3 GLU 29 HB1 GLU 29 -6.604 25.154 -15.293 235 HG2 GLU 29 HG2 GLU 29 -4.817 25.741 -16.807 236 HG3 GLU 29 HG1 GLU 29 -5.982 27.062 -16.803 237 H ARG 30 HN ARG 30 -8.954 25.914 -14.578 238 HA ARG 30 HA ARG 30 -9.842 27.228 -16.912 239 HB2 ARG 30 HB2 ARG 30 -11.336 25.755 -14.738 240 HB3 ARG 30 HB1 ARG 30 -12.098 26.324 -16.218 241 HG2 ARG 30 HG2 ARG 30 -9.622 24.605 -16.361 242 HG3 ARG 30 HG1 ARG 30 -11.198 23.860 -16.108 243 HD2 ARG 30 HD2 ARG 30 -12.033 24.959 -18.171 244 HD3 ARG 30 HD1 ARG 30 -10.441 25.656 -18.436 245 HE ARG 30 HE ARG 30 -9.695 23.580 -19.168 246 HH11 ARG 30 HH11 ARG 30 -10.045 21.407 -19.765 247 HH12 ARG 30 HH12 ARG 30 -11.484 20.596 -19.245 248 HH21 ARG 30 HH21 ARG 30 -12.729 23.335 -17.522 249 HH22 ARG 30 HH22 ARG 30 -13.002 21.685 -17.975 250 H LEU 31 HN LEU 31 -10.431 27.899 -13.475 251 HA LEU 31 HA LEU 31 -12.359 29.933 -13.851 252 HB2 LEU 31 HB2 LEU 31 -10.394 29.399 -11.619 253 HB3 LEU 31 HB1 LEU 31 -11.607 30.674 -11.547 254 HG LEU 31 HG LEU 31 -12.277 27.764 -12.079 255 HD11 LEU 31 HD11 LEU 31 -13.101 27.885 -9.645 256 HD12 LEU 31 HD12 LEU 31 -12.089 29.322 -9.495 257 HD13 LEU 31 HD13 LEU 31 -11.358 27.765 -9.890 258 HD21 LEU 31 HD21 LEU 31 -13.867 30.288 -11.651 259 HD22 LEU 31 HD22 LEU 31 -14.533 28.769 -11.061 260 HD23 LEU 31 HD23 LEU 31 -14.160 28.960 -12.769 261 H LYS 32 HN LYS 32 -8.815 30.025 -13.611 262 HA LYS 32 HA LYS 32 -8.619 32.853 -13.743 263 HB2 LYS 32 HB2 LYS 32 -6.615 30.672 -14.361 264 HB3 LYS 32 HB1 LYS 32 -6.235 32.388 -14.486 265 HG2 LYS 32 HG2 LYS 32 -6.872 32.698 -12.124 266 HG3 LYS 32 HG1 LYS 32 -7.233 30.973 -12.002 267 HD2 LYS 32 HD2 LYS 32 -4.939 30.385 -12.446 268 HD3 LYS 32 HD1 LYS 32 -4.530 32.056 -12.835 269 HE2 LYS 32 HE2 LYS 32 -3.780 31.539 -10.567 270 HE3 LYS 32 HE1 LYS 32 -5.100 32.707 -10.501 271 HZ1 LYS 32 HZ1 LYS 32 -4.968 30.132 -9.371 272 HZ2 LYS 32 HZ2 LYS 32 -6.245 30.180 -10.490 273 HZ3 LYS 32 HZ3 LYS 32 -6.189 31.299 -9.213 274 H ASN 33 HN ASN 33 -8.702 30.308 -16.209 275 HA ASN 33 HA ASN 33 -7.997 31.926 -18.408 276 HB2 ASN 33 HB2 ASN 33 -9.681 29.418 -18.226 277 HB3 ASN 33 HB1 ASN 33 -9.231 30.177 -19.750 278 HD21 ASN 33 HD21 ASN 33 -8.331 27.526 -18.947 279 HD22 ASN 33 HD22 ASN 33 -6.644 27.600 -18.777 280 H GLU 34 HN GLU 34 -11.174 31.157 -16.988 281 HA GLU 34 HA GLU 34 -12.704 32.569 -18.917 282 HB2 GLU 34 HB2 GLU 34 -13.671 30.889 -17.383 283 HB3 GLU 34 HB1 GLU 34 -13.366 31.967 -16.023 284 HG2 GLU 34 HG2 GLU 34 -15.698 32.169 -16.739 285 HG3 GLU 34 HG1 GLU 34 -14.846 33.672 -17.064 286 H ARG 35 HN ARG 35 -11.469 33.494 -15.709 287 HA ARG 35 HA ARG 35 -12.535 36.123 -15.766 288 HB2 ARG 35 HB2 ARG 35 -10.204 34.970 -14.200 289 HB3 ARG 35 HB1 ARG 35 -10.841 36.596 -13.973 290 HG2 ARG 35 HG2 ARG 35 -13.007 35.732 -13.342 291 HG3 ARG 35 HG1 ARG 35 -12.524 34.088 -13.760 292 HD2 ARG 35 HD2 ARG 35 -12.373 34.424 -11.333 293 HD3 ARG 35 HD1 ARG 35 -10.770 34.169 -12.019 294 HE ARG 35 HE ARG 35 -11.434 36.952 -11.895 295 HH11 ARG 35 HH11 ARG 35 -10.338 38.192 -10.347 296 HH12 ARG 35 HH12 ARG 35 -9.522 37.409 -9.036 297 HH21 ARG 35 HH21 ARG 35 -10.383 34.211 -10.067 298 HH22 ARG 35 HH22 ARG 35 -9.547 35.151 -8.878 299 H HIS 36 HN HIS 36 -9.450 34.750 -16.825 300 HA HIS 36 HA HIS 36 -8.183 37.205 -17.433 301 HB2 HIS 36 HB2 HIS 36 -6.931 35.094 -17.183 302 HB3 HIS 36 HB1 HIS 36 -7.671 34.465 -18.650 303 HD2 HIS 36 HD2 HIS 36 -6.234 38.142 -18.367 304 HE1 HIS 36 HE1 HIS 36 -3.949 35.999 -21.197 305 HE2 HIS 36 HE2 HIS 36 -4.314 38.276 -20.135 306 H ASP 37 HN ASP 37 -10.229 35.030 -19.375 307 HA ASP 37 HA ASP 37 -9.912 36.551 -21.784 308 HB2 ASP 37 HB2 ASP 37 -11.892 34.402 -20.984 309 HB3 ASP 37 HB1 ASP 37 -11.846 35.151 -22.578 310 H HIS 38 HN HIS 38 -12.081 36.655 -19.049 311 HA HIS 38 HA HIS 38 -13.874 38.548 -20.414 312 HB2 HIS 38 HB2 HIS 38 -14.692 36.596 -18.936 313 HB3 HIS 38 HB1 HIS 38 -14.158 37.574 -17.569 314 HD2 HIS 38 HD2 HIS 38 -16.333 39.004 -16.652 315 HE1 HIS 38 HE1 HIS 38 -18.212 39.713 -20.363 316 HE2 HIS 38 HE2 HIS 38 -18.356 40.124 -17.862 317 H ASP 39 HN ASP 39 -11.020 38.686 -18.758 318 HA ASP 39 HA ASP 39 -9.872 40.351 -17.659 319 HB2 ASP 39 HB2 ASP 39 -11.952 42.054 -19.048 320 HB3 ASP 39 HB1 ASP 39 -10.476 42.662 -18.299 321 H TYR 40 HN TYR 40 -11.869 39.010 -16.118 322 HA TYR 40 HA TYR 40 -12.376 41.075 -14.099 323 HB2 TYR 40 HB2 TYR 40 -14.432 41.000 -15.485 324 HB3 TYR 40 HB1 TYR 40 -14.569 39.274 -15.150 325 HD1 TYR 40 HD1 TYR 40 -14.466 42.631 -13.540 326 HD2 TYR 40 HD2 TYR 40 -15.512 38.486 -13.112 327 HE1 TYR 40 HE1 TYR 40 -15.607 43.140 -11.399 328 HE2 TYR 40 HE2 TYR 40 -16.653 38.996 -10.970 329 HH TYR 40 HH TYR 40 -17.415 42.140 -9.998
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