NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
574632 | 2lzp | 18768 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA ASP 1 HA ASP 1 -8.336 20.069 0.826 2 HB2 ASP 1 HB2 ASP 1 -10.940 18.740 0.045 3 HB3 ASP 1 HB3 ASP 1 -10.653 19.304 1.691 4 H THR 2 H THR 2 -6.525 18.484 1.116 5 HA THR 2 HA THR 2 -7.397 16.178 2.786 6 HB THR 2 HB THR 2 -5.639 14.818 1.429 7 HG1 THR 2 HG1 THR 2 -4.786 16.542 0.267 8 HG21 THR 2 HG21 THR 2 -7.322 14.032 -0.052 9 HG22 THR 2 HG22 THR 2 -8.116 15.605 -0.107 10 HG23 THR 2 HG23 THR 2 -8.194 14.629 1.359 11 H GLU 3 H GLU 3 -6.461 17.472 4.528 12 HA GLU 3 HA GLU 3 -3.596 18.169 4.401 13 HB2 GLU 3 HB2 GLU 3 -5.824 18.441 6.432 14 HB3 GLU 3 HB3 GLU 3 -4.166 18.923 6.791 15 HG2 GLU 3 HG2 GLU 3 -4.165 20.556 5.031 16 HG3 GLU 3 HG3 GLU 3 -5.689 19.948 4.384 17 H ILE 4 H ILE 4 -5.677 16.038 6.362 18 HA ILE 4 HA ILE 4 -3.241 14.520 7.228 19 HB ILE 4 HB ILE 4 -6.052 14.767 8.360 20 HG12 ILE 4 HG12 ILE 4 -3.465 15.607 9.671 21 HG13 ILE 4 HG13 ILE 4 -4.303 16.688 8.556 22 HG21 ILE 4 HG21 ILE 4 -5.106 13.495 10.298 23 HG22 ILE 4 HG22 ILE 4 -3.642 13.212 9.355 24 HG23 ILE 4 HG23 ILE 4 -5.179 12.534 8.821 25 HD11 ILE 4 HD11 ILE 4 -4.891 16.940 11.040 26 HD12 ILE 4 HD12 ILE 4 -5.713 15.386 10.892 27 HD13 ILE 4 HD13 ILE 4 -6.248 16.762 9.927 28 H ILE 5 H ILE 5 -6.569 14.108 5.980 29 HA ILE 5 HA ILE 5 -6.148 11.217 5.538 30 HB ILE 5 HB ILE 5 -8.429 13.159 5.041 31 HG12 ILE 5 HG12 ILE 5 -9.203 11.186 6.849 32 HG13 ILE 5 HG13 ILE 5 -7.529 11.519 7.295 33 HG21 ILE 5 HG21 ILE 5 -9.704 10.875 4.854 34 HG22 ILE 5 HG22 ILE 5 -8.120 10.234 4.417 35 HG23 ILE 5 HG23 ILE 5 -8.856 11.506 3.442 36 HD11 ILE 5 HD11 ILE 5 -9.493 13.758 6.808 37 HD12 ILE 5 HD12 ILE 5 -7.970 13.808 7.696 38 HD13 ILE 5 HD13 ILE 5 -9.365 12.979 8.384 39 H GLY 6 H GLY 6 -5.312 10.461 3.645 40 HA2 GLY 6 HA2 GLY 6 -5.266 12.280 1.275 41 HA3 GLY 6 HA3 GLY 6 -4.123 10.966 1.553 42 H GLY 7 H GLY 7 -5.245 8.717 1.717 43 HA2 GLY 7 HA2 GLY 7 -7.755 8.423 0.246 44 HA3 GLY 7 HA3 GLY 7 -6.339 7.923 -0.680 45 H LEU 8 H LEU 8 -8.062 7.343 2.377 46 HA LEU 8 HA LEU 8 -6.615 4.782 2.766 47 HB2 LEU 8 HB2 LEU 8 -7.713 4.820 4.941 48 HB3 LEU 8 HB3 LEU 8 -7.062 6.424 4.612 49 HG LEU 8 HG LEU 8 -9.669 6.398 3.505 50 HD11 LEU 8 HD11 LEU 8 -11.077 5.748 5.368 51 HD12 LEU 8 HD12 LEU 8 -9.667 5.388 6.364 52 HD13 LEU 8 HD13 LEU 8 -10.038 4.382 4.965 53 HD21 LEU 8 HD21 LEU 8 -8.581 7.585 6.078 54 HD22 LEU 8 HD22 LEU 8 -10.081 8.080 5.295 55 HD23 LEU 8 HD23 LEU 8 -8.536 8.340 4.485 56 H THR 9 H THR 9 -8.993 5.521 0.721 57 HA THR 9 HA THR 9 -10.891 3.354 1.451 58 HB THR 9 HB THR 9 -10.932 5.192 -0.957 59 HG1 THR 9 HG1 THR 9 -11.465 6.783 0.297 60 HG21 THR 9 HG21 THR 9 -12.532 3.294 -0.886 61 HG22 THR 9 HG22 THR 9 -13.351 4.854 -0.802 62 HG23 THR 9 HG23 THR 9 -13.141 3.890 0.659 63 H ILE 10 H ILE 10 -8.745 1.964 1.030 64 HA ILE 10 HA ILE 10 -8.751 1.146 -1.855 65 HB ILE 10 HB ILE 10 -6.696 2.164 -0.244 66 HG12 ILE 10 HG12 ILE 10 -5.997 0.489 -2.610 67 HG13 ILE 10 HG13 ILE 10 -7.125 1.821 -2.861 68 HG21 ILE 10 HG21 ILE 10 -5.088 0.390 0.037 69 HG22 ILE 10 HG22 ILE 10 -6.151 -0.771 -0.759 70 HG23 ILE 10 HG23 ILE 10 -6.581 -0.122 0.823 71 HD11 ILE 10 HD11 ILE 10 -4.329 1.993 -1.708 72 HD12 ILE 10 HD12 ILE 10 -5.472 3.336 -1.709 73 HD13 ILE 10 HD13 ILE 10 -4.894 2.669 -3.236 74 HA PRO 11 HA PRO 11 -9.890 -2.848 -0.422 75 HB2 PRO 11 HB2 PRO 11 -8.827 -4.432 -2.383 76 HB3 PRO 11 HB3 PRO 11 -10.244 -3.397 -2.634 77 HG2 PRO 11 HG2 PRO 11 -7.446 -3.010 -3.502 78 HG3 PRO 11 HG3 PRO 11 -8.952 -2.484 -4.265 79 HD2 PRO 11 HD2 PRO 11 -7.229 -0.878 -2.780 80 HD3 PRO 11 HD3 PRO 11 -8.908 -0.487 -3.198 81 HA PRO 12 HA PRO 12 -6.647 -4.761 1.850 82 HB2 PRO 12 HB2 PRO 12 -7.263 -7.431 1.702 83 HB3 PRO 12 HB3 PRO 12 -8.170 -6.275 2.698 84 HG2 PRO 12 HG2 PRO 12 -8.820 -7.357 -0.006 85 HG3 PRO 12 HG3 PRO 12 -9.885 -7.085 1.385 86 HD2 PRO 12 HD2 PRO 12 -9.789 -5.384 -0.707 87 HD3 PRO 12 HD3 PRO 12 -10.097 -4.830 0.954 88 H VAL 13 H VAL 13 -7.213 -6.007 -1.417 89 HA VAL 13 HA VAL 13 -4.767 -7.519 -1.661 90 HB VAL 13 HB VAL 13 -6.812 -7.709 -3.100 91 HG11 VAL 13 HG11 VAL 13 -5.825 -5.207 -4.485 92 HG12 VAL 13 HG12 VAL 13 -7.093 -5.165 -3.261 93 HG13 VAL 13 HG13 VAL 13 -7.338 -6.073 -4.752 94 HG21 VAL 13 HG21 VAL 13 -5.592 -7.995 -5.218 95 HG22 VAL 13 HG22 VAL 13 -4.625 -8.580 -3.864 96 HG23 VAL 13 HG23 VAL 13 -4.265 -7.015 -4.596 97 H VAL 14 H VAL 14 -5.592 -4.106 -2.280 98 HA VAL 14 HA VAL 14 -3.033 -3.416 -3.480 99 HB VAL 14 HB VAL 14 -5.330 -1.878 -2.227 100 HG11 VAL 14 HG11 VAL 14 -2.736 -0.882 -3.407 101 HG12 VAL 14 HG12 VAL 14 -3.511 -0.399 -1.898 102 HG13 VAL 14 HG13 VAL 14 -4.196 0.106 -3.443 103 HG21 VAL 14 HG21 VAL 14 -4.404 -1.889 -5.102 104 HG22 VAL 14 HG22 VAL 14 -5.982 -1.432 -4.463 105 HG23 VAL 14 HG23 VAL 14 -5.498 -3.128 -4.488 106 H ALA 15 H ALA 15 -4.454 -2.952 -0.218 107 HA ALA 15 HA ALA 15 -2.194 -1.718 1.015 108 HB1 ALA 15 HB1 ALA 15 -3.367 -2.218 3.042 109 HB2 ALA 15 HB2 ALA 15 -4.141 -3.632 2.326 110 HB3 ALA 15 HB3 ALA 15 -4.619 -2.013 1.817 111 H LEU 16 H LEU 16 -3.026 -5.145 0.518 112 HA LEU 16 HA LEU 16 -0.947 -6.304 2.128 113 HB2 LEU 16 HB2 LEU 16 -2.986 -7.436 1.221 114 HB3 LEU 16 HB3 LEU 16 -2.291 -7.331 -0.397 115 HG LEU 16 HG LEU 16 -0.411 -8.487 1.515 116 HD11 LEU 16 HD11 LEU 16 -1.585 -10.580 1.909 117 HD12 LEU 16 HD12 LEU 16 -2.981 -10.012 0.993 118 HD13 LEU 16 HD13 LEU 16 -2.570 -9.257 2.533 119 HD21 LEU 16 HD21 LEU 16 -0.329 -10.240 -0.254 120 HD22 LEU 16 HD22 LEU 16 -0.158 -8.617 -0.921 121 HD23 LEU 16 HD23 LEU 16 -1.697 -9.467 -1.056 122 H VAL 17 H VAL 17 -1.057 -5.358 -1.321 123 HA VAL 17 HA VAL 17 1.565 -6.342 -2.014 124 HB VAL 17 HB VAL 17 -0.319 -4.253 -3.148 125 HG11 VAL 17 HG11 VAL 17 1.683 -3.487 -4.065 126 HG12 VAL 17 HG12 VAL 17 1.208 -4.698 -5.255 127 HG13 VAL 17 HG13 VAL 17 2.425 -5.087 -4.040 128 HG21 VAL 17 HG21 VAL 17 -0.897 -5.951 -4.721 129 HG22 VAL 17 HG22 VAL 17 -0.859 -6.763 -3.158 130 HG23 VAL 17 HG23 VAL 17 0.492 -6.941 -4.277 131 H VAL 18 H VAL 18 0.421 -3.323 -0.562 132 HA VAL 18 HA VAL 18 2.914 -1.855 -0.930 133 HB VAL 18 HB VAL 18 0.488 -1.507 0.870 134 HG11 VAL 18 HG11 VAL 18 1.271 0.803 1.194 135 HG12 VAL 18 HG12 VAL 18 2.714 0.460 0.239 136 HG13 VAL 18 HG13 VAL 18 2.473 -0.340 1.793 137 HG21 VAL 18 HG21 VAL 18 1.126 0.287 -1.430 138 HG22 VAL 18 HG22 VAL 18 -0.441 -0.254 -0.827 139 HG23 VAL 18 HG23 VAL 18 0.543 -1.333 -1.816 140 H MET 19 H MET 19 1.444 -3.724 1.740 141 HA MET 19 HA MET 19 3.437 -3.173 3.729 142 HB2 MET 19 HB2 MET 19 1.051 -4.281 3.789 143 HB3 MET 19 HB3 MET 19 1.941 -5.779 3.512 144 HG2 MET 19 HG2 MET 19 2.065 -5.775 5.800 145 HG3 MET 19 HG3 MET 19 3.451 -4.729 5.491 146 HE1 MET 19 HE1 MET 19 2.134 -4.903 8.104 147 HE2 MET 19 HE2 MET 19 1.658 -3.299 8.654 148 HE3 MET 19 HE3 MET 19 3.257 -3.544 7.955 149 H SER 20 H SER 20 3.118 -5.895 1.410 150 HA SER 20 HA SER 20 5.456 -7.333 2.227 151 HB2 SER 20 HB2 SER 20 5.218 -8.272 -0.138 152 HB3 SER 20 HB3 SER 20 3.776 -8.374 0.868 153 HG SER 20 HG SER 20 2.801 -7.030 -0.433 154 H ARG 21 H ARG 21 5.007 -4.726 -0.173 155 HA ARG 21 HA ARG 21 7.634 -4.762 -1.310 156 HB2 ARG 21 HB2 ARG 21 5.577 -3.585 -2.152 157 HB3 ARG 21 HB3 ARG 21 5.757 -2.418 -0.842 158 HG2 ARG 21 HG2 ARG 21 7.892 -1.679 -1.697 159 HG3 ARG 21 HG3 ARG 21 7.923 -2.980 -2.887 160 HD2 ARG 21 HD2 ARG 21 7.220 -0.972 -4.049 161 HD3 ARG 21 HD3 ARG 21 5.775 -1.982 -3.855 162 HE ARG 21 HE ARG 21 4.949 -0.432 -2.249 163 HH11 ARG 21 HH11 ARG 21 6.714 1.463 -3.985 164 HH12 ARG 21 HH12 ARG 21 7.480 2.388 -2.738 165 HH21 ARG 21 HH21 ARG 21 6.594 0.183 -0.198 166 HH22 ARG 21 HH22 ARG 21 7.411 1.661 -0.586 167 H PHE 22 H PHE 22 6.301 -3.007 1.505 168 HA PHE 22 HA PHE 22 8.615 -1.454 2.146 169 HB2 PHE 22 HB2 PHE 22 6.478 -0.953 3.118 170 HB3 PHE 22 HB3 PHE 22 6.299 -2.595 3.735 171 HD1 PHE 22 HD1 PHE 22 8.487 0.434 4.019 172 HD2 PHE 22 HD2 PHE 22 6.995 -3.118 5.918 173 HE1 PHE 22 HE2 PHE 22 9.581 1.108 6.139 174 HE2 PHE 22 HE1 PHE 22 8.089 -2.444 8.037 175 HZ PHE 22 HZ PHE 22 9.383 -0.333 8.148 176 H GLY 23 H GLY 23 7.558 -4.659 3.378 177 HA2 GLY 23 HA2 GLY 23 9.850 -5.088 5.052 178 HA3 GLY 23 HA3 GLY 23 8.766 -6.351 4.468 179 H PHE 24 H PHE 24 9.238 -5.690 1.623 180 HA PHE 24 HA PHE 24 11.387 -7.454 1.030 181 HB2 PHE 24 HB2 PHE 24 9.363 -6.220 -0.325 182 HB3 PHE 24 HB3 PHE 24 10.748 -5.305 -0.917 183 HD1 PHE 24 HD1 PHE 24 12.663 -6.494 -2.005 184 HD2 PHE 24 HD2 PHE 24 9.018 -8.509 -0.952 185 HE1 PHE 24 HE1 PHE 24 13.272 -8.375 -3.501 186 HE2 PHE 24 HE2 PHE 24 9.626 -10.390 -2.450 187 HZ PHE 24 HZ PHE 24 11.753 -10.324 -3.724 188 H PHE 25 H PHE 25 11.338 -3.875 0.661 189 HA PHE 25 HA PHE 25 14.133 -3.591 0.112 190 HB2 PHE 25 HB2 PHE 25 12.046 -1.983 -0.074 191 HB3 PHE 25 HB3 PHE 25 12.523 -1.502 1.555 192 HD1 PHE 25 HD1 PHE 25 14.740 -0.483 1.974 193 HD2 PHE 25 HD2 PHE 25 13.414 -1.442 -1.999 194 HE1 PHE 25 HE1 PHE 25 16.534 0.945 1.030 195 HE2 PHE 25 HE2 PHE 25 15.208 -0.014 -2.942 196 HZ PHE 25 HZ PHE 25 16.768 1.180 -1.428 197 H ALA 26 H ALA 26 12.331 -3.672 3.182 198 HA ALA 26 HA ALA 26 14.442 -2.786 4.910 199 HB1 ALA 26 HB1 ALA 26 13.042 -3.859 6.643 200 HB2 ALA 26 HB2 ALA 26 12.154 -4.727 5.391 201 HB3 ALA 26 HB3 ALA 26 12.037 -2.971 5.498 202 H HIS 27 H HIS 27 13.528 -6.039 3.742 203 HA HIS 27 HA HIS 27 15.683 -7.361 5.240 204 HB2 HIS 27 HB2 HIS 27 13.268 -8.139 4.373 205 HB3 HIS 27 HB3 HIS 27 14.211 -8.642 2.971 206 HD1 HIS 27 HD1 HIS 27 14.873 -11.032 3.189 207 HD2 HIS 27 HD2 HIS 27 14.891 -9.105 6.886 208 HE1 HIS 27 HE1 HIS 27 15.629 -12.750 4.889 209 H LEU 28 H LEU 28 15.032 -6.511 1.821 210 HA LEU 28 HA LEU 28 17.426 -7.703 0.740 211 HB2 LEU 28 HB2 LEU 28 15.265 -5.846 -0.093 212 HB3 LEU 28 HB3 LEU 28 16.773 -5.689 -0.988 213 HG LEU 28 HG LEU 28 15.248 -7.316 -2.061 214 HD11 LEU 28 HD11 LEU 28 17.880 -7.553 -1.825 215 HD12 LEU 28 HD12 LEU 28 16.923 -8.831 -2.574 216 HD13 LEU 28 HD13 LEU 28 17.444 -8.988 -0.896 217 HD21 LEU 28 HD21 LEU 28 15.671 -9.183 0.257 218 HD22 LEU 28 HD22 LEU 28 14.409 -9.205 -0.974 219 HD23 LEU 28 HD23 LEU 28 14.356 -8.010 0.321 220 H LEU 29 H LEU 29 16.645 -4.348 1.708 221 HA LEU 29 HA LEU 29 18.027 -2.543 2.309 222 HB2 LEU 29 HB2 LEU 29 19.636 -5.012 2.869 223 HB3 LEU 29 HB3 LEU 29 20.444 -3.451 2.981 224 HG LEU 29 HG LEU 29 17.793 -3.547 4.276 225 HD11 LEU 29 HD11 LEU 29 18.508 -5.785 4.874 226 HD12 LEU 29 HD12 LEU 29 18.730 -4.743 6.280 227 HD13 LEU 29 HD13 LEU 29 20.120 -5.203 5.296 228 HD21 LEU 29 HD21 LEU 29 19.187 -1.605 4.547 229 HD22 LEU 29 HD22 LEU 29 20.576 -2.591 5.006 230 HD23 LEU 29 HD23 LEU 29 19.195 -2.451 6.094 231 HA PRO 30 HA PRO 30 20.345 -1.368 -1.237 232 HB2 PRO 30 HB2 PRO 30 22.314 0.246 -0.224 233 HB3 PRO 30 HB3 PRO 30 20.609 0.733 -0.300 234 HG2 PRO 30 HG2 PRO 30 22.193 -0.257 2.011 235 HG3 PRO 30 HG3 PRO 30 20.926 0.977 1.955 236 HD2 PRO 30 HD2 PRO 30 20.536 -1.585 2.844 237 HD3 PRO 30 HD3 PRO 30 19.250 -0.553 2.184 238 H ARG 31 H ARG 31 21.085 -3.740 -1.332 239 HA ARG 31 HA ARG 31 24.070 -3.875 -1.115 240 HB2 ARG 31 HB2 ARG 31 23.006 -4.996 0.804 241 HB3 ARG 31 HB3 ARG 31 22.010 -5.953 -0.293 242 HG2 ARG 31 HG2 ARG 31 24.915 -6.078 -0.831 243 HG3 ARG 31 HG3 ARG 31 24.415 -6.784 0.706 244 HD2 ARG 31 HD2 ARG 31 22.719 -8.161 -0.489 245 HD3 ARG 31 HD3 ARG 31 23.288 -7.489 -2.030 246 HE ARG 31 HE ARG 31 25.517 -8.484 -1.532 247 HH11 ARG 31 HH11 ARG 31 24.563 -8.891 1.440 248 HH12 ARG 31 HH12 ARG 31 24.506 -10.622 1.488 249 HH21 ARG 31 HH21 ARG 31 24.678 -10.975 -1.969 250 HH22 ARG 31 HH22 ARG 31 24.572 -11.808 -0.454 Start of MODEL 2 1 HA ASP 1 HA ASP 1 -17.336 -1.287 9.040 2 HB2 ASP 1 HB2 ASP 1 -18.578 -2.227 10.964 3 HB3 ASP 1 HB3 ASP 1 -18.195 -3.484 9.789 4 H THR 2 H THR 2 -14.348 -1.088 10.056 5 HA THR 2 HA THR 2 -14.947 0.680 12.409 6 HB THR 2 HB THR 2 -12.278 -0.606 11.846 7 HG1 THR 2 HG1 THR 2 -14.518 -1.795 13.128 8 HG21 THR 2 HG21 THR 2 -13.624 -0.128 14.498 9 HG22 THR 2 HG22 THR 2 -12.773 1.170 13.661 10 HG23 THR 2 HG23 THR 2 -11.902 -0.283 14.149 11 H GLU 3 H GLU 3 -14.137 2.776 12.310 12 HA GLU 3 HA GLU 3 -13.287 4.742 11.326 13 HB2 GLU 3 HB2 GLU 3 -11.309 2.548 10.854 14 HB3 GLU 3 HB3 GLU 3 -11.038 4.078 10.019 15 HG2 GLU 3 HG2 GLU 3 -11.046 5.296 12.110 16 HG3 GLU 3 HG3 GLU 3 -11.532 3.854 13.000 17 H ILE 4 H ILE 4 -15.291 4.616 9.888 18 HA ILE 4 HA ILE 4 -14.450 4.655 7.041 19 HB ILE 4 HB ILE 4 -15.290 2.347 7.790 20 HG12 ILE 4 HG12 ILE 4 -17.229 3.058 5.734 21 HG13 ILE 4 HG13 ILE 4 -15.657 3.792 5.418 22 HG21 ILE 4 HG21 ILE 4 -17.997 3.697 7.700 23 HG22 ILE 4 HG22 ILE 4 -17.147 3.369 9.210 24 HG23 ILE 4 HG23 ILE 4 -17.631 2.035 8.163 25 HD11 ILE 4 HD11 ILE 4 -15.802 0.904 6.231 26 HD12 ILE 4 HD12 ILE 4 -14.572 1.730 5.275 27 HD13 ILE 4 HD13 ILE 4 -16.139 1.356 4.560 28 H ILE 5 H ILE 5 -15.964 5.891 5.709 29 HA ILE 5 HA ILE 5 -17.488 7.893 7.280 30 HB ILE 5 HB ILE 5 -16.735 7.689 4.343 31 HG12 ILE 5 HG12 ILE 5 -15.553 9.770 6.081 32 HG13 ILE 5 HG13 ILE 5 -15.061 8.122 6.469 33 HG21 ILE 5 HG21 ILE 5 -17.888 9.995 5.947 34 HG22 ILE 5 HG22 ILE 5 -18.723 9.099 4.677 35 HG23 ILE 5 HG23 ILE 5 -17.326 10.099 4.279 36 HD11 ILE 5 HD11 ILE 5 -14.944 9.333 3.692 37 HD12 ILE 5 HD12 ILE 5 -14.340 7.747 4.174 38 HD13 ILE 5 HD13 ILE 5 -13.566 9.210 4.784 39 H GLY 6 H GLY 6 -18.386 6.851 4.029 40 HA2 GLY 6 HA2 GLY 6 -21.065 6.067 5.103 41 HA3 GLY 6 HA3 GLY 6 -20.809 6.761 3.501 42 H GLY 7 H GLY 7 -19.027 5.395 2.228 43 HA2 GLY 7 HA2 GLY 7 -19.718 2.500 2.563 44 HA3 GLY 7 HA3 GLY 7 -19.593 3.264 0.976 45 H LEU 8 H LEU 8 -17.411 4.323 0.526 46 HA LEU 8 HA LEU 8 -15.082 4.133 0.278 47 HB2 LEU 8 HB2 LEU 8 -15.466 4.626 2.813 48 HB3 LEU 8 HB3 LEU 8 -15.061 2.925 3.046 49 HG LEU 8 HG LEU 8 -13.078 3.786 1.320 50 HD11 LEU 8 HD11 LEU 8 -13.835 6.133 1.661 51 HD12 LEU 8 HD12 LEU 8 -12.202 5.865 2.272 52 HD13 LEU 8 HD13 LEU 8 -13.561 5.948 3.394 53 HD21 LEU 8 HD21 LEU 8 -11.651 3.750 3.404 54 HD22 LEU 8 HD22 LEU 8 -12.690 2.336 3.218 55 HD23 LEU 8 HD23 LEU 8 -13.136 3.616 4.348 56 H THR 9 H THR 9 -15.746 2.332 -1.273 57 HA THR 9 HA THR 9 -15.421 -0.439 -0.344 58 HB THR 9 HB THR 9 -15.666 -0.819 -2.873 59 HG1 THR 9 HG1 THR 9 -15.878 0.881 -4.131 60 HG21 THR 9 HG21 THR 9 -18.048 -0.252 -2.849 61 HG22 THR 9 HG22 THR 9 -17.791 0.842 -1.489 62 HG23 THR 9 HG23 THR 9 -17.565 -0.895 -1.280 63 H ILE 10 H ILE 10 -13.107 0.643 0.412 64 HA ILE 10 HA ILE 10 -11.048 0.675 -1.656 65 HB ILE 10 HB ILE 10 -11.016 2.010 0.453 66 HG12 ILE 10 HG12 ILE 10 -8.611 1.220 1.138 67 HG13 ILE 10 HG13 ILE 10 -8.785 0.103 -0.215 68 HG21 ILE 10 HG21 ILE 10 -11.969 0.132 1.874 69 HG22 ILE 10 HG22 ILE 10 -10.593 0.976 2.583 70 HG23 ILE 10 HG23 ILE 10 -10.367 -0.605 1.837 71 HD11 ILE 10 HD11 ILE 10 -9.454 2.138 -1.618 72 HD12 ILE 10 HD12 ILE 10 -7.762 2.054 -1.129 73 HD13 ILE 10 HD13 ILE 10 -8.874 3.125 -0.277 74 HA PRO 11 HA PRO 11 -10.424 -3.721 -1.579 75 HB2 PRO 11 HB2 PRO 11 -8.304 -3.794 -3.300 76 HB3 PRO 11 HB3 PRO 11 -9.973 -3.527 -3.836 77 HG2 PRO 11 HG2 PRO 11 -7.748 -1.607 -3.571 78 HG3 PRO 11 HG3 PRO 11 -9.133 -1.591 -4.668 79 HD2 PRO 11 HD2 PRO 11 -8.841 -0.066 -2.333 80 HD3 PRO 11 HD3 PRO 11 -10.336 -0.293 -3.263 81 HA PRO 12 HA PRO 12 -7.186 -3.870 1.499 82 HB2 PRO 12 HB2 PRO 12 -7.368 -6.546 2.040 83 HB3 PRO 12 HB3 PRO 12 -8.528 -5.352 2.655 84 HG2 PRO 12 HG2 PRO 12 -8.785 -7.243 0.377 85 HG3 PRO 12 HG3 PRO 12 -10.001 -6.708 1.547 86 HD2 PRO 12 HD2 PRO 12 -9.807 -5.753 -1.016 87 HD3 PRO 12 HD3 PRO 12 -10.538 -4.855 0.333 88 H VAL 13 H VAL 13 -7.287 -5.775 -1.447 89 HA VAL 13 HA VAL 13 -4.794 -7.161 -1.264 90 HB VAL 13 HB VAL 13 -6.350 -6.044 -3.622 91 HG11 VAL 13 HG11 VAL 13 -3.951 -7.850 -3.440 92 HG12 VAL 13 HG12 VAL 13 -4.267 -6.533 -4.569 93 HG13 VAL 13 HG13 VAL 13 -5.115 -8.068 -4.748 94 HG21 VAL 13 HG21 VAL 13 -6.768 -8.714 -3.645 95 HG22 VAL 13 HG22 VAL 13 -7.809 -7.598 -2.760 96 HG23 VAL 13 HG23 VAL 13 -6.536 -8.476 -1.912 97 H VAL 14 H VAL 14 -5.531 -3.927 -2.670 98 HA VAL 14 HA VAL 14 -2.893 -3.326 -3.563 99 HB VAL 14 HB VAL 14 -5.077 -2.135 -4.066 100 HG11 VAL 14 HG11 VAL 14 -5.570 -1.953 -1.507 101 HG12 VAL 14 HG12 VAL 14 -6.019 -0.610 -2.557 102 HG13 VAL 14 HG13 VAL 14 -4.550 -0.516 -1.584 103 HG21 VAL 14 HG21 VAL 14 -4.005 0.128 -4.155 104 HG22 VAL 14 HG22 VAL 14 -2.961 -1.157 -4.762 105 HG23 VAL 14 HG23 VAL 14 -2.696 -0.495 -3.149 106 H ALA 15 H ALA 15 -4.381 -2.965 -0.352 107 HA ALA 15 HA ALA 15 -2.147 -1.499 0.814 108 HB1 ALA 15 HB1 ALA 15 -4.595 -2.966 1.802 109 HB2 ALA 15 HB2 ALA 15 -4.252 -1.236 1.861 110 HB3 ALA 15 HB3 ALA 15 -3.405 -2.341 2.945 111 H LEU 16 H LEU 16 -3.131 -4.908 0.599 112 HA LEU 16 HA LEU 16 -1.131 -5.982 2.377 113 HB2 LEU 16 HB2 LEU 16 -3.333 -6.859 0.883 114 HB3 LEU 16 HB3 LEU 16 -1.967 -7.712 0.169 115 HG LEU 16 HG LEU 16 -2.882 -9.045 1.995 116 HD11 LEU 16 HD11 LEU 16 -0.871 -9.422 3.235 117 HD12 LEU 16 HD12 LEU 16 -0.337 -7.757 3.006 118 HD13 LEU 16 HD13 LEU 16 -0.364 -8.870 1.639 119 HD21 LEU 16 HD21 LEU 16 -2.202 -6.783 3.883 120 HD22 LEU 16 HD22 LEU 16 -3.159 -8.228 4.211 121 HD23 LEU 16 HD23 LEU 16 -3.810 -6.955 3.178 122 H VAL 17 H VAL 17 -1.204 -5.389 -1.143 123 HA VAL 17 HA VAL 17 1.278 -6.639 -1.824 124 HB VAL 17 HB VAL 17 -0.330 -4.330 -2.962 125 HG11 VAL 17 HG11 VAL 17 1.059 -4.776 -5.063 126 HG12 VAL 17 HG12 VAL 17 2.186 -5.641 -4.019 127 HG13 VAL 17 HG13 VAL 17 1.887 -3.922 -3.761 128 HG21 VAL 17 HG21 VAL 17 -1.429 -5.923 -4.167 129 HG22 VAL 17 HG22 VAL 17 -0.831 -7.027 -2.928 130 HG23 VAL 17 HG23 VAL 17 0.040 -6.856 -4.452 131 H VAL 18 H VAL 18 0.536 -3.241 -0.940 132 HA VAL 18 HA VAL 18 3.174 -2.183 -1.109 133 HB VAL 18 HB VAL 18 0.752 -1.539 0.604 134 HG11 VAL 18 HG11 VAL 18 2.457 -0.522 1.857 135 HG12 VAL 18 HG12 VAL 18 1.991 0.763 0.741 136 HG13 VAL 18 HG13 VAL 18 3.440 -0.193 0.430 137 HG21 VAL 18 HG21 VAL 18 1.946 -0.115 -1.794 138 HG22 VAL 18 HG22 VAL 18 0.400 0.230 -1.018 139 HG23 VAL 18 HG23 VAL 18 0.627 -1.280 -1.900 140 H MET 19 H MET 19 1.520 -3.890 1.554 141 HA MET 19 HA MET 19 3.533 -3.519 3.565 142 HB2 MET 19 HB2 MET 19 1.062 -4.927 3.151 143 HB3 MET 19 HB3 MET 19 2.230 -6.044 3.857 144 HG2 MET 19 HG2 MET 19 2.715 -4.399 5.641 145 HG3 MET 19 HG3 MET 19 1.518 -3.305 4.947 146 HE1 MET 19 HE1 MET 19 -1.220 -3.508 6.020 147 HE2 MET 19 HE2 MET 19 -1.739 -4.935 5.126 148 HE3 MET 19 HE3 MET 19 -0.616 -3.800 4.382 149 H SER 20 H SER 20 3.071 -6.076 1.101 150 HA SER 20 HA SER 20 5.197 -7.805 1.924 151 HB2 SER 20 HB2 SER 20 3.234 -7.942 0.122 152 HB3 SER 20 HB3 SER 20 4.507 -7.399 -0.967 153 HG SER 20 HG SER 20 4.113 -9.829 0.182 154 H ARG 21 H ARG 21 5.154 -5.100 -0.426 155 HA ARG 21 HA ARG 21 7.899 -5.272 -1.234 156 HB2 ARG 21 HB2 ARG 21 5.680 -3.269 -1.261 157 HB3 ARG 21 HB3 ARG 21 7.309 -2.660 -1.551 158 HG2 ARG 21 HG2 ARG 21 6.707 -3.218 -3.716 159 HG3 ARG 21 HG3 ARG 21 7.426 -4.744 -3.200 160 HD2 ARG 21 HD2 ARG 21 5.393 -5.828 -3.122 161 HD3 ARG 21 HD3 ARG 21 4.526 -4.370 -2.607 162 HE ARG 21 HE ARG 21 4.459 -3.628 -4.904 163 HH11 ARG 21 HH11 ARG 21 3.621 -6.474 -5.311 164 HH12 ARG 21 HH12 ARG 21 4.675 -6.989 -6.584 165 HH21 ARG 21 HH21 ARG 21 6.900 -4.351 -6.165 166 HH22 ARG 21 HH22 ARG 21 6.538 -5.782 -7.071 167 H PHE 22 H PHE 22 6.304 -3.548 1.447 168 HA PHE 22 HA PHE 22 8.539 -2.029 2.374 169 HB2 PHE 22 HB2 PHE 22 5.995 -2.044 2.987 170 HB3 PHE 22 HB3 PHE 22 6.451 -3.276 4.164 171 HD1 PHE 22 HD1 PHE 22 8.092 -2.747 5.965 172 HD2 PHE 22 HD2 PHE 22 6.601 0.266 3.291 173 HE1 PHE 22 HE2 PHE 22 8.896 -0.979 7.507 174 HE2 PHE 22 HE1 PHE 22 7.404 2.034 4.834 175 HZ PHE 22 HZ PHE 22 8.551 1.411 6.942 176 H GLY 23 H GLY 23 7.455 -5.344 3.185 177 HA2 GLY 23 HA2 GLY 23 9.444 -5.866 5.182 178 HA3 GLY 23 HA3 GLY 23 8.572 -7.100 4.271 179 H PHE 24 H PHE 24 9.406 -6.315 1.652 180 HA PHE 24 HA PHE 24 11.976 -7.642 1.478 181 HB2 PHE 24 HB2 PHE 24 9.866 -7.196 -0.173 182 HB3 PHE 24 HB3 PHE 24 10.967 -5.950 -0.755 183 HD1 PHE 24 HD1 PHE 24 13.213 -6.554 -1.622 184 HD2 PHE 24 HD2 PHE 24 10.340 -9.546 -0.502 185 HE1 PHE 24 HE2 PHE 24 14.519 -8.265 -2.850 186 HE2 PHE 24 HE1 PHE 24 11.647 -11.258 -1.732 187 HZ PHE 24 HZ PHE 24 13.736 -10.618 -2.905 188 H PHE 25 H PHE 25 10.915 -4.255 1.060 189 HA PHE 25 HA PHE 25 13.431 -3.101 0.382 190 HB2 PHE 25 HB2 PHE 25 10.975 -2.192 0.439 191 HB3 PHE 25 HB3 PHE 25 11.366 -1.730 2.095 192 HD1 PHE 25 HD1 PHE 25 12.354 -1.301 -1.462 193 HD2 PHE 25 HD2 PHE 25 12.814 0.115 2.567 194 HE1 PHE 25 HE1 PHE 25 13.552 0.700 -2.303 195 HE2 PHE 25 HE2 PHE 25 14.012 2.117 1.726 196 HZ PHE 25 HZ PHE 25 14.381 2.410 -0.710 197 H ALA 26 H ALA 26 12.108 -4.069 3.516 198 HA ALA 26 HA ALA 26 13.793 -2.612 5.278 199 HB1 ALA 26 HB1 ALA 26 12.832 -5.472 5.588 200 HB2 ALA 26 HB2 ALA 26 11.776 -4.072 5.776 201 HB3 ALA 26 HB3 ALA 26 13.136 -4.303 6.874 202 H HIS 27 H HIS 27 14.438 -5.521 3.359 203 HA HIS 27 HA HIS 27 17.169 -5.729 4.567 204 HB2 HIS 27 HB2 HIS 27 15.274 -7.614 4.228 205 HB3 HIS 27 HB3 HIS 27 16.066 -7.742 2.657 206 HD1 HIS 27 HD1 HIS 27 18.923 -7.636 3.066 207 HD2 HIS 27 HD2 HIS 27 16.490 -9.336 5.994 208 HE1 HIS 27 HE1 HIS 27 20.419 -9.129 4.464 209 H LEU 28 H LEU 28 16.130 -3.800 2.348 210 HA LEU 28 HA LEU 28 17.786 -4.679 0.038 211 HB2 LEU 28 HB2 LEU 28 15.402 -3.147 0.483 212 HB3 LEU 28 HB3 LEU 28 16.587 -2.104 -0.301 213 HG LEU 28 HG LEU 28 16.978 -4.024 -1.946 214 HD11 LEU 28 HD11 LEU 28 15.401 -5.780 -2.076 215 HD12 LEU 28 HD12 LEU 28 14.261 -4.951 -1.015 216 HD13 LEU 28 HD13 LEU 28 15.739 -5.646 -0.350 217 HD21 LEU 28 HD21 LEU 28 14.841 -3.480 -3.202 218 HD22 LEU 28 HD22 LEU 28 15.753 -2.072 -2.658 219 HD23 LEU 28 HD23 LEU 28 14.314 -2.586 -1.776 220 H LEU 29 H LEU 29 17.672 -2.178 2.560 221 HA LEU 29 HA LEU 29 20.450 -1.414 1.789 222 HB2 LEU 29 HB2 LEU 29 19.689 0.976 2.540 223 HB3 LEU 29 HB3 LEU 29 19.285 0.418 0.928 224 HG LEU 29 HG LEU 29 17.429 1.598 2.193 225 HD11 LEU 29 HD11 LEU 29 16.058 0.542 0.782 226 HD12 LEU 29 HD12 LEU 29 16.148 -0.947 1.720 227 HD13 LEU 29 HD13 LEU 29 17.351 -0.615 0.474 228 HD21 LEU 29 HD21 LEU 29 18.048 0.225 4.352 229 HD22 LEU 29 HD22 LEU 29 16.957 -0.975 3.664 230 HD23 LEU 29 HD23 LEU 29 16.370 0.645 4.026 231 HA PRO 30 HA PRO 30 21.179 -1.776 6.105 232 HB2 PRO 30 HB2 PRO 30 23.507 -0.360 6.300 233 HB3 PRO 30 HB3 PRO 30 23.401 -1.942 5.507 234 HG2 PRO 30 HG2 PRO 30 23.716 0.727 4.327 235 HG3 PRO 30 HG3 PRO 30 24.139 -0.858 3.669 236 HD2 PRO 30 HD2 PRO 30 21.864 0.734 3.043 237 HD3 PRO 30 HD3 PRO 30 22.241 -0.901 2.458 238 H ARG 31 H ARG 31 19.676 0.817 5.061 239 HA ARG 31 HA ARG 31 18.773 2.748 6.051 240 HB2 ARG 31 HB2 ARG 31 19.955 1.441 8.529 241 HB3 ARG 31 HB3 ARG 31 18.729 2.705 8.526 242 HG2 ARG 31 HG2 ARG 31 17.384 1.067 7.001 243 HG3 ARG 31 HG3 ARG 31 18.481 -0.160 7.637 244 HD2 ARG 31 HD2 ARG 31 17.790 1.078 9.955 245 HD3 ARG 31 HD3 ARG 31 16.301 1.313 9.019 246 HE ARG 31 HE ARG 31 16.056 -1.078 8.854 247 HH11 ARG 31 HH11 ARG 31 17.398 -0.420 11.683 248 HH12 ARG 31 HH12 ARG 31 18.409 -1.818 11.822 249 HH21 ARG 31 HH21 ARG 31 18.023 -2.751 8.496 250 HH22 ARG 31 HH22 ARG 31 18.766 -3.142 10.010 Start of MODEL 3 1 HA ASP 1 HA ASP 1 -19.502 15.691 2.411 2 HB2 ASP 1 HB2 ASP 1 -19.827 18.109 3.116 3 HB3 ASP 1 HB3 ASP 1 -18.227 18.035 3.857 4 H THR 2 H THR 2 -17.462 15.010 1.581 5 HA THR 2 HA THR 2 -15.389 13.888 1.648 6 HB THR 2 HB THR 2 -14.923 15.592 4.114 7 HG1 THR 2 HG1 THR 2 -14.748 16.315 1.372 8 HG21 THR 2 HG21 THR 2 -13.145 14.471 1.935 9 HG22 THR 2 HG22 THR 2 -13.103 14.088 3.655 10 HG23 THR 2 HG23 THR 2 -12.607 15.686 3.096 11 H GLU 3 H GLU 3 -17.314 12.288 2.649 12 HA GLU 3 HA GLU 3 -16.628 11.391 5.383 13 HB2 GLU 3 HB2 GLU 3 -18.812 11.174 3.462 14 HB3 GLU 3 HB3 GLU 3 -18.423 9.605 4.167 15 HG2 GLU 3 HG2 GLU 3 -20.045 10.630 5.614 16 HG3 GLU 3 HG3 GLU 3 -18.491 10.724 6.442 17 H ILE 4 H ILE 4 -14.903 10.039 5.630 18 HA ILE 4 HA ILE 4 -13.944 8.387 3.367 19 HB ILE 4 HB ILE 4 -12.054 7.951 4.959 20 HG12 ILE 4 HG12 ILE 4 -13.153 10.017 6.824 21 HG13 ILE 4 HG13 ILE 4 -13.785 8.376 6.964 22 HG21 ILE 4 HG21 ILE 4 -11.256 10.312 5.029 23 HG22 ILE 4 HG22 ILE 4 -12.881 10.848 4.602 24 HG23 ILE 4 HG23 ILE 4 -11.944 9.878 3.464 25 HD11 ILE 4 HD11 ILE 4 -10.843 9.116 7.017 26 HD12 ILE 4 HD12 ILE 4 -11.508 7.495 7.222 27 HD13 ILE 4 HD13 ILE 4 -11.817 8.736 8.437 28 H ILE 5 H ILE 5 -16.217 7.226 3.740 29 HA ILE 5 HA ILE 5 -16.187 5.231 5.915 30 HB ILE 5 HB ILE 5 -18.394 4.617 4.913 31 HG12 ILE 5 HG12 ILE 5 -18.771 6.807 3.136 32 HG13 ILE 5 HG13 ILE 5 -17.283 6.001 2.640 33 HG21 ILE 5 HG21 ILE 5 -17.831 7.544 5.437 34 HG22 ILE 5 HG22 ILE 5 -18.420 6.338 6.581 35 HG23 ILE 5 HG23 ILE 5 -19.462 6.892 5.270 36 HD11 ILE 5 HD11 ILE 5 -19.957 4.642 3.091 37 HD12 ILE 5 HD12 ILE 5 -18.466 3.834 2.602 38 HD13 ILE 5 HD13 ILE 5 -19.235 4.996 1.520 39 H GLY 6 H GLY 6 -15.407 3.186 5.675 40 HA2 GLY 6 HA2 GLY 6 -14.584 2.301 2.947 41 HA3 GLY 6 HA3 GLY 6 -13.923 1.674 4.458 42 H GLY 7 H GLY 7 -16.141 1.062 1.990 43 HA2 GLY 7 HA2 GLY 7 -17.515 -0.992 3.682 44 HA3 GLY 7 HA3 GLY 7 -18.365 -0.101 2.422 45 H LEU 8 H LEU 8 -18.073 -0.712 0.253 46 HA LEU 8 HA LEU 8 -16.494 -3.232 -0.168 47 HB2 LEU 8 HB2 LEU 8 -19.229 -2.437 -0.661 48 HB3 LEU 8 HB3 LEU 8 -18.458 -2.867 -2.186 49 HG LEU 8 HG LEU 8 -19.499 -4.839 -1.117 50 HD11 LEU 8 HD11 LEU 8 -16.535 -5.227 -0.815 51 HD12 LEU 8 HD12 LEU 8 -17.204 -4.835 -2.399 52 HD13 LEU 8 HD13 LEU 8 -17.729 -6.293 -1.556 53 HD21 LEU 8 HD21 LEU 8 -18.836 -5.633 1.023 54 HD22 LEU 8 HD22 LEU 8 -19.064 -3.898 1.244 55 HD23 LEU 8 HD23 LEU 8 -17.438 -4.560 1.079 56 H THR 9 H THR 9 -15.593 -0.339 -0.504 57 HA THR 9 HA THR 9 -14.855 -0.511 -3.409 58 HB THR 9 HB THR 9 -15.266 2.030 -1.804 59 HG1 THR 9 HG1 THR 9 -17.330 1.892 -2.180 60 HG21 THR 9 HG21 THR 9 -13.932 2.042 -3.963 61 HG22 THR 9 HG22 THR 9 -15.345 3.098 -3.952 62 HG23 THR 9 HG23 THR 9 -15.410 1.547 -4.788 63 H ILE 10 H ILE 10 -13.152 -1.753 -1.746 64 HA ILE 10 HA ILE 10 -10.838 0.118 -1.576 65 HB ILE 10 HB ILE 10 -11.953 0.058 0.623 66 HG12 ILE 10 HG12 ILE 10 -9.521 -1.664 0.982 67 HG13 ILE 10 HG13 ILE 10 -9.342 -0.068 0.254 68 HG21 ILE 10 HG21 ILE 10 -11.410 -2.926 0.562 69 HG22 ILE 10 HG22 ILE 10 -12.999 -2.190 0.352 70 HG23 ILE 10 HG23 ILE 10 -12.145 -2.023 1.886 71 HD11 ILE 10 HD11 ILE 10 -10.709 -0.602 2.907 72 HD12 ILE 10 HD12 ILE 10 -10.397 0.979 2.189 73 HD13 ILE 10 HD13 ILE 10 -9.052 -0.023 2.732 74 HA PRO 11 HA PRO 11 -9.039 -3.528 -3.376 75 HB2 PRO 11 HB2 PRO 11 -6.524 -2.525 -3.728 76 HB3 PRO 11 HB3 PRO 11 -7.895 -2.079 -4.761 77 HG2 PRO 11 HG2 PRO 11 -6.566 -0.540 -2.626 78 HG3 PRO 11 HG3 PRO 11 -7.423 0.026 -4.064 79 HD2 PRO 11 HD2 PRO 11 -8.416 -0.025 -1.439 80 HD3 PRO 11 HD3 PRO 11 -9.355 0.258 -2.919 81 HA PRO 12 HA PRO 12 -7.269 -5.038 0.499 82 HB2 PRO 12 HB2 PRO 12 -7.499 -7.693 -0.121 83 HB3 PRO 12 HB3 PRO 12 -8.857 -6.718 0.474 84 HG2 PRO 12 HG2 PRO 12 -8.221 -7.587 -2.295 85 HG3 PRO 12 HG3 PRO 12 -9.791 -7.416 -1.496 86 HD2 PRO 12 HD2 PRO 12 -8.761 -5.596 -3.270 87 HD3 PRO 12 HD3 PRO 12 -9.958 -5.205 -2.018 88 H VAL 13 H VAL 13 -6.400 -6.250 -2.753 89 HA VAL 13 HA VAL 13 -3.863 -7.400 -2.033 90 HB VAL 13 HB VAL 13 -4.977 -6.271 -4.625 91 HG11 VAL 13 HG11 VAL 13 -2.669 -6.357 -5.046 92 HG12 VAL 13 HG12 VAL 13 -3.209 -7.953 -5.566 93 HG13 VAL 13 HG13 VAL 13 -2.433 -7.754 -3.995 94 HG21 VAL 13 HG21 VAL 13 -5.271 -8.740 -5.112 95 HG22 VAL 13 HG22 VAL 13 -6.296 -8.128 -3.814 96 HG23 VAL 13 HG23 VAL 13 -4.848 -9.056 -3.429 97 H VAL 14 H VAL 14 -4.761 -4.153 -3.261 98 HA VAL 14 HA VAL 14 -2.135 -3.084 -3.539 99 HB VAL 14 HB VAL 14 -4.813 -1.841 -2.821 100 HG11 VAL 14 HG11 VAL 14 -2.287 -0.464 -3.790 101 HG12 VAL 14 HG12 VAL 14 -2.923 -0.364 -2.148 102 HG13 VAL 14 HG13 VAL 14 -3.844 0.308 -3.493 103 HG21 VAL 14 HG21 VAL 14 -4.755 -2.945 -5.005 104 HG22 VAL 14 HG22 VAL 14 -3.261 -2.104 -5.418 105 HG23 VAL 14 HG23 VAL 14 -4.762 -1.196 -5.236 106 H ALA 15 H ALA 15 -4.239 -3.356 -0.676 107 HA ALA 15 HA ALA 15 -2.551 -1.784 1.085 108 HB1 ALA 15 HB1 ALA 15 -4.790 -3.791 1.387 109 HB2 ALA 15 HB2 ALA 15 -4.823 -2.055 1.696 110 HB3 ALA 15 HB3 ALA 15 -3.972 -3.131 2.804 111 H LEU 16 H LEU 16 -2.851 -5.276 0.391 112 HA LEU 16 HA LEU 16 -0.855 -6.087 2.354 113 HB2 LEU 16 HB2 LEU 16 -2.833 -7.379 1.280 114 HB3 LEU 16 HB3 LEU 16 -1.748 -7.624 -0.089 115 HG LEU 16 HG LEU 16 -0.053 -8.421 1.756 116 HD11 LEU 16 HD11 LEU 16 -0.961 -9.208 3.770 117 HD12 LEU 16 HD12 LEU 16 -2.604 -9.232 3.133 118 HD13 LEU 16 HD13 LEU 16 -1.835 -7.696 3.530 119 HD21 LEU 16 HD21 LEU 16 -2.451 -9.993 0.774 120 HD22 LEU 16 HD22 LEU 16 -1.079 -10.740 1.592 121 HD23 LEU 16 HD23 LEU 16 -0.846 -9.920 0.049 122 H VAL 17 H VAL 17 -0.824 -5.400 -1.147 123 HA VAL 17 HA VAL 17 1.851 -6.336 -1.658 124 HB VAL 17 HB VAL 17 -0.222 -5.631 -3.179 125 HG11 VAL 17 HG11 VAL 17 0.145 -3.187 -2.390 126 HG12 VAL 17 HG12 VAL 17 -0.122 -3.470 -4.109 127 HG13 VAL 17 HG13 VAL 17 1.511 -3.186 -3.506 128 HG21 VAL 17 HG21 VAL 17 2.679 -5.224 -3.972 129 HG22 VAL 17 HG22 VAL 17 1.343 -5.476 -5.095 130 HG23 VAL 17 HG23 VAL 17 1.809 -6.759 -3.978 131 H VAL 18 H VAL 18 0.719 -3.548 0.038 132 HA VAL 18 HA VAL 18 3.261 -2.055 -0.414 133 HB VAL 18 HB VAL 18 0.572 -1.411 0.840 134 HG11 VAL 18 HG11 VAL 18 1.501 0.936 1.020 135 HG12 VAL 18 HG12 VAL 18 3.100 0.260 0.702 136 HG13 VAL 18 HG13 VAL 18 2.213 -0.216 2.150 137 HG21 VAL 18 HG21 VAL 18 0.910 -1.485 -1.702 138 HG22 VAL 18 HG22 VAL 18 1.979 -0.097 -1.497 139 HG23 VAL 18 HG23 VAL 18 0.279 0.025 -1.046 140 H MET 19 H MET 19 1.249 -3.401 2.229 141 HA MET 19 HA MET 19 2.963 -2.716 4.410 142 HB2 MET 19 HB2 MET 19 0.553 -3.552 4.394 143 HB3 MET 19 HB3 MET 19 1.204 -5.171 4.135 144 HG2 MET 19 HG2 MET 19 2.457 -5.050 6.223 145 HG3 MET 19 HG3 MET 19 1.956 -3.376 6.461 146 HE1 MET 19 HE1 MET 19 1.144 -7.071 6.623 147 HE2 MET 19 HE2 MET 19 0.147 -6.645 5.235 148 HE3 MET 19 HE3 MET 19 -0.619 -7.166 6.733 149 H SER 20 H SER 20 2.745 -5.795 2.556 150 HA SER 20 HA SER 20 4.964 -7.060 3.904 151 HB2 SER 20 HB2 SER 20 3.012 -8.014 2.464 152 HB3 SER 20 HB3 SER 20 4.045 -7.641 1.086 153 HG SER 20 HG SER 20 4.251 -9.620 2.980 154 H ARG 21 H ARG 21 4.698 -5.214 0.854 155 HA ARG 21 HA ARG 21 7.390 -5.576 -0.052 156 HB2 ARG 21 HB2 ARG 21 5.374 -4.703 -1.303 157 HB3 ARG 21 HB3 ARG 21 5.577 -3.178 -0.440 158 HG2 ARG 21 HG2 ARG 21 7.480 -2.613 -1.603 159 HG3 ARG 21 HG3 ARG 21 7.987 -4.292 -1.795 160 HD2 ARG 21 HD2 ARG 21 7.288 -3.328 -3.973 161 HD3 ARG 21 HD3 ARG 21 6.180 -4.625 -3.483 162 HE ARG 21 HE ARG 21 4.489 -2.995 -3.168 163 HH11 ARG 21 HH11 ARG 21 6.658 -1.437 -4.962 164 HH12 ARG 21 HH12 ARG 21 6.501 0.129 -4.240 165 HH21 ARG 21 HH21 ARG 21 4.682 -1.023 -1.513 166 HH22 ARG 21 HH22 ARG 21 5.381 0.364 -2.279 167 H PHE 22 H PHE 22 5.946 -3.201 2.184 168 HA PHE 22 HA PHE 22 8.093 -1.359 2.393 169 HB2 PHE 22 HB2 PHE 22 5.707 -1.364 3.390 170 HB3 PHE 22 HB3 PHE 22 6.391 -2.322 4.703 171 HD1 PHE 22 HD1 PHE 22 6.430 0.965 3.016 172 HD2 PHE 22 HD2 PHE 22 7.955 -1.359 6.293 173 HE1 PHE 22 HE2 PHE 22 7.295 3.031 4.080 174 HE2 PHE 22 HE1 PHE 22 8.820 0.709 7.355 175 HZ PHE 22 HZ PHE 22 8.489 2.904 6.249 176 H GLY 23 H GLY 23 7.530 -4.419 4.160 177 HA2 GLY 23 HA2 GLY 23 10.057 -4.195 5.627 178 HA3 GLY 23 HA3 GLY 23 8.949 -5.569 5.670 179 H PHE 24 H PHE 24 8.840 -5.895 2.763 180 HA PHE 24 HA PHE 24 11.080 -7.659 2.383 181 HB2 PHE 24 HB2 PHE 24 8.629 -6.890 1.083 182 HB3 PHE 24 HB3 PHE 24 9.924 -6.915 -0.113 183 HD1 PHE 24 HD1 PHE 24 11.563 -8.997 0.054 184 HD2 PHE 24 HD2 PHE 24 7.559 -8.896 1.611 185 HE1 PHE 24 HE1 PHE 24 11.486 -11.475 0.020 186 HE2 PHE 24 HE2 PHE 24 7.484 -11.374 1.576 187 HZ PHE 24 HZ PHE 24 9.447 -12.664 0.781 188 H PHE 25 H PHE 25 10.350 -4.412 1.044 189 HA PHE 25 HA PHE 25 12.513 -4.055 -0.704 190 HB2 PHE 25 HB2 PHE 25 10.480 -2.563 0.023 191 HB3 PHE 25 HB3 PHE 25 11.619 -1.887 1.187 192 HD1 PHE 25 HD1 PHE 25 11.028 -2.487 -2.440 193 HD2 PHE 25 HD2 PHE 25 13.342 -0.381 0.505 194 HE1 PHE 25 HE1 PHE 25 12.005 -1.066 -4.222 195 HE2 PHE 25 HE2 PHE 25 14.317 1.040 -1.277 196 HZ PHE 25 HZ PHE 25 13.649 0.698 -3.641 197 H ALA 26 H ALA 26 12.519 -3.840 2.846 198 HA ALA 26 HA ALA 26 15.045 -2.610 3.267 199 HB1 ALA 26 HB1 ALA 26 13.633 -4.796 4.832 200 HB2 ALA 26 HB2 ALA 26 13.324 -3.066 4.984 201 HB3 ALA 26 HB3 ALA 26 14.885 -3.730 5.468 202 H HIS 27 H HIS 27 14.240 -5.996 2.507 203 HA HIS 27 HA HIS 27 17.180 -6.550 2.242 204 HB2 HIS 27 HB2 HIS 27 15.055 -7.807 3.836 205 HB3 HIS 27 HB3 HIS 27 15.956 -8.965 2.859 206 HD1 HIS 27 HD1 HIS 27 18.441 -9.340 3.425 207 HD2 HIS 27 HD2 HIS 27 16.627 -6.447 5.816 208 HE1 HIS 27 HE1 HIS 27 20.062 -8.847 5.307 209 H LEU 28 H LEU 28 15.131 -5.759 0.179 210 HA LEU 28 HA LEU 28 14.872 -8.270 -1.416 211 HB2 LEU 28 HB2 LEU 28 12.935 -6.697 -0.933 212 HB3 LEU 28 HB3 LEU 28 13.750 -5.503 -1.942 213 HG LEU 28 HG LEU 28 13.833 -7.574 -3.643 214 HD11 LEU 28 HD11 LEU 28 11.671 -8.811 -3.487 215 HD12 LEU 28 HD12 LEU 28 11.378 -8.046 -1.924 216 HD13 LEU 28 HD13 LEU 28 12.741 -9.147 -2.125 217 HD21 LEU 28 HD21 LEU 28 11.761 -6.660 -4.657 218 HD22 LEU 28 HD22 LEU 28 12.825 -5.370 -4.096 219 HD23 LEU 28 HD23 LEU 28 11.405 -5.816 -3.150 220 H LEU 29 H LEU 29 16.335 -5.024 -1.515 221 HA LEU 29 HA LEU 29 17.774 -5.841 -4.018 222 HB2 LEU 29 HB2 LEU 29 17.821 -3.360 -4.468 223 HB3 LEU 29 HB3 LEU 29 16.201 -4.049 -4.437 224 HG LEU 29 HG LEU 29 17.110 -3.146 -1.793 225 HD11 LEU 29 HD11 LEU 29 16.886 -0.735 -2.308 226 HD12 LEU 29 HD12 LEU 29 16.761 -1.120 -4.025 227 HD13 LEU 29 HD13 LEU 29 18.260 -1.447 -3.154 228 HD21 LEU 29 HD21 LEU 29 14.700 -2.755 -3.578 229 HD22 LEU 29 HD22 LEU 29 14.855 -1.925 -2.030 230 HD23 LEU 29 HD23 LEU 29 14.810 -3.685 -2.085 231 HA PRO 30 HA PRO 30 20.950 -5.173 -0.736 232 HB2 PRO 30 HB2 PRO 30 22.373 -7.452 -1.250 233 HB3 PRO 30 HB3 PRO 30 20.975 -7.413 -0.159 234 HG2 PRO 30 HG2 PRO 30 21.170 -8.400 -2.948 235 HG3 PRO 30 HG3 PRO 30 20.188 -8.995 -1.602 236 HD2 PRO 30 HD2 PRO 30 19.248 -7.431 -3.679 237 HD3 PRO 30 HD3 PRO 30 18.462 -7.609 -2.097 238 H ARG 31 H ARG 31 21.075 -3.618 -2.923 239 HA ARG 31 HA ARG 31 23.846 -4.014 -3.949 240 HB2 ARG 31 HB2 ARG 31 21.293 -4.183 -5.421 241 HB3 ARG 31 HB3 ARG 31 22.480 -3.115 -6.168 242 HG2 ARG 31 HG2 ARG 31 23.189 -5.905 -5.241 243 HG3 ARG 31 HG3 ARG 31 22.575 -5.582 -6.863 244 HD2 ARG 31 HD2 ARG 31 24.459 -4.250 -7.437 245 HD3 ARG 31 HD3 ARG 31 24.955 -4.080 -5.741 246 HE ARG 31 HE ARG 31 25.263 -6.651 -5.827 247 HH11 ARG 31 HH11 ARG 31 24.516 -7.157 -8.612 248 HH12 ARG 31 HH12 ARG 31 26.024 -7.064 -9.460 249 HH21 ARG 31 HH21 ARG 31 27.667 -5.405 -6.883 250 HH22 ARG 31 HH22 ARG 31 27.817 -6.068 -8.476 Start of MODEL 4 1 HA ASP 1 HA ASP 1 -21.262 9.999 12.746 2 HB2 ASP 1 HB2 ASP 1 -23.635 10.914 11.119 3 HB3 ASP 1 HB3 ASP 1 -23.702 9.401 12.023 4 H THR 2 H THR 2 -20.267 8.122 12.124 5 HA THR 2 HA THR 2 -20.948 6.954 9.450 6 HB THR 2 HB THR 2 -18.392 6.301 9.530 7 HG1 THR 2 HG1 THR 2 -17.422 7.147 11.171 8 HG21 THR 2 HG21 THR 2 -19.804 8.145 8.152 9 HG22 THR 2 HG22 THR 2 -18.061 7.942 7.974 10 HG23 THR 2 HG23 THR 2 -18.698 9.209 9.022 11 H GLU 3 H GLU 3 -22.049 5.120 10.107 12 HA GLU 3 HA GLU 3 -20.730 3.374 12.166 13 HB2 GLU 3 HB2 GLU 3 -23.088 4.666 12.426 14 HB3 GLU 3 HB3 GLU 3 -23.657 3.200 11.627 15 HG2 GLU 3 HG2 GLU 3 -22.929 1.810 13.370 16 HG3 GLU 3 HG3 GLU 3 -21.783 3.007 13.975 17 H ILE 4 H ILE 4 -20.583 3.427 9.078 18 HA ILE 4 HA ILE 4 -21.686 0.689 8.538 19 HB ILE 4 HB ILE 4 -20.838 2.918 6.651 20 HG12 ILE 4 HG12 ILE 4 -23.675 2.012 7.090 21 HG13 ILE 4 HG13 ILE 4 -22.955 3.180 8.197 22 HG21 ILE 4 HG21 ILE 4 -20.669 0.925 5.414 23 HG22 ILE 4 HG22 ILE 4 -22.317 1.454 5.078 24 HG23 ILE 4 HG23 ILE 4 -22.025 0.176 6.257 25 HD11 ILE 4 HD11 ILE 4 -24.109 4.358 6.387 26 HD12 ILE 4 HD12 ILE 4 -23.168 3.473 5.187 27 HD13 ILE 4 HD13 ILE 4 -22.370 4.623 6.261 28 H ILE 5 H ILE 5 -19.716 -0.106 9.735 29 HA ILE 5 HA ILE 5 -17.620 -1.178 9.685 30 HB ILE 5 HB ILE 5 -17.629 -0.376 6.754 31 HG12 ILE 5 HG12 ILE 5 -18.692 -2.968 7.899 32 HG13 ILE 5 HG13 ILE 5 -19.743 -1.581 7.611 33 HG21 ILE 5 HG21 ILE 5 -16.228 -2.510 8.373 34 HG22 ILE 5 HG22 ILE 5 -15.503 -1.267 7.353 35 HG23 ILE 5 HG23 ILE 5 -16.379 -2.610 6.619 36 HD11 ILE 5 HD11 ILE 5 -19.165 -1.566 5.250 37 HD12 ILE 5 HD12 ILE 5 -19.692 -3.191 5.691 38 HD13 ILE 5 HD13 ILE 5 -17.973 -2.843 5.497 39 H GLY 6 H GLY 6 -15.277 -0.636 9.515 40 HA2 GLY 6 HA2 GLY 6 -14.739 2.105 10.211 41 HA3 GLY 6 HA3 GLY 6 -13.514 0.874 9.896 42 H GLY 7 H GLY 7 -13.309 0.283 7.479 43 HA2 GLY 7 HA2 GLY 7 -13.562 2.773 5.833 44 HA3 GLY 7 HA3 GLY 7 -12.189 1.671 5.700 45 H LEU 8 H LEU 8 -15.606 0.766 6.031 46 HA LEU 8 HA LEU 8 -16.960 -0.618 4.688 47 HB2 LEU 8 HB2 LEU 8 -15.584 1.370 2.937 48 HB3 LEU 8 HB3 LEU 8 -16.442 0.060 2.127 49 HG LEU 8 HG LEU 8 -17.816 1.517 4.360 50 HD11 LEU 8 HD11 LEU 8 -18.629 3.217 2.814 51 HD12 LEU 8 HD12 LEU 8 -17.702 2.504 1.494 52 HD13 LEU 8 HD13 LEU 8 -16.867 3.268 2.847 53 HD21 LEU 8 HD21 LEU 8 -19.765 0.743 3.309 54 HD22 LEU 8 HD22 LEU 8 -18.631 -0.572 2.997 55 HD23 LEU 8 HD23 LEU 8 -18.981 0.609 1.735 56 H THR 9 H THR 9 -14.429 -1.790 5.527 57 HA THR 9 HA THR 9 -13.083 -3.667 5.081 58 HB THR 9 HB THR 9 -15.147 -4.177 2.919 59 HG1 THR 9 HG1 THR 9 -15.255 -4.621 5.720 60 HG21 THR 9 HG21 THR 9 -13.427 -5.811 2.813 61 HG22 THR 9 HG22 THR 9 -14.717 -6.570 3.747 62 HG23 THR 9 HG23 THR 9 -13.305 -5.908 4.570 63 H ILE 10 H ILE 10 -11.337 -2.321 4.267 64 HA ILE 10 HA ILE 10 -11.112 -1.546 1.487 65 HB ILE 10 HB ILE 10 -8.746 -1.083 2.159 66 HG12 ILE 10 HG12 ILE 10 -9.483 -2.048 4.923 67 HG13 ILE 10 HG13 ILE 10 -8.751 -3.146 3.753 68 HG21 ILE 10 HG21 ILE 10 -10.782 0.399 2.739 69 HG22 ILE 10 HG22 ILE 10 -9.281 0.697 3.615 70 HG23 ILE 10 HG23 ILE 10 -10.586 -0.207 4.383 71 HD11 ILE 10 HD11 ILE 10 -6.919 -2.237 4.962 72 HD12 ILE 10 HD12 ILE 10 -7.590 -0.607 4.907 73 HD13 ILE 10 HD13 ILE 10 -6.944 -1.345 3.442 74 HA PRO 11 HA PRO 11 -9.653 -5.254 -0.353 75 HB2 PRO 11 HB2 PRO 11 -7.863 -4.294 -2.192 76 HB3 PRO 11 HB3 PRO 11 -9.622 -4.136 -2.375 77 HG2 PRO 11 HG2 PRO 11 -7.629 -2.130 -1.447 78 HG3 PRO 11 HG3 PRO 11 -9.051 -1.914 -2.479 79 HD2 PRO 11 HD2 PRO 11 -9.000 -1.246 0.160 80 HD3 PRO 11 HD3 PRO 11 -10.479 -1.733 -0.699 81 HA PRO 12 HA PRO 12 -5.981 -5.983 2.123 82 HB2 PRO 12 HB2 PRO 12 -5.922 -8.698 1.748 83 HB3 PRO 12 HB3 PRO 12 -7.014 -7.900 2.898 84 HG2 PRO 12 HG2 PRO 12 -7.572 -8.921 0.156 85 HG3 PRO 12 HG3 PRO 12 -8.574 -8.996 1.614 86 HD2 PRO 12 HD2 PRO 12 -8.991 -7.198 -0.378 87 HD3 PRO 12 HD3 PRO 12 -9.395 -6.875 1.323 88 H VAL 13 H VAL 13 -6.484 -7.267 -1.165 89 HA VAL 13 HA VAL 13 -3.775 -8.003 -1.728 90 HB VAL 13 HB VAL 13 -5.821 -8.635 -3.022 91 HG11 VAL 13 HG11 VAL 13 -6.877 -7.078 -4.519 92 HG12 VAL 13 HG12 VAL 13 -5.664 -5.842 -4.185 93 HG13 VAL 13 HG13 VAL 13 -6.820 -6.304 -2.936 94 HG21 VAL 13 HG21 VAL 13 -3.594 -8.854 -4.050 95 HG22 VAL 13 HG22 VAL 13 -3.685 -7.187 -4.621 96 HG23 VAL 13 HG23 VAL 13 -4.793 -8.401 -5.262 97 H VAL 14 H VAL 14 -5.466 -4.880 -1.925 98 HA VAL 14 HA VAL 14 -3.300 -3.490 -3.297 99 HB VAL 14 HB VAL 14 -5.698 -2.571 -1.665 100 HG11 VAL 14 HG11 VAL 14 -3.796 -1.024 -3.452 101 HG12 VAL 14 HG12 VAL 14 -4.065 -0.775 -1.726 102 HG13 VAL 14 HG13 VAL 14 -5.343 -0.398 -2.883 103 HG21 VAL 14 HG21 VAL 14 -6.687 -2.146 -3.894 104 HG22 VAL 14 HG22 VAL 14 -6.258 -3.845 -3.707 105 HG23 VAL 14 HG23 VAL 14 -5.230 -2.776 -4.660 106 H ALA 15 H ALA 15 -4.411 -3.723 0.099 107 HA ALA 15 HA ALA 15 -2.468 -1.971 1.260 108 HB1 ALA 15 HB1 ALA 15 -3.810 -4.439 2.415 109 HB2 ALA 15 HB2 ALA 15 -4.560 -2.847 2.313 110 HB3 ALA 15 HB3 ALA 15 -3.144 -3.090 3.335 111 H LEU 16 H LEU 16 -2.354 -5.441 0.463 112 HA LEU 16 HA LEU 16 0.133 -6.025 1.804 113 HB2 LEU 16 HB2 LEU 16 -1.749 -7.552 0.860 114 HB3 LEU 16 HB3 LEU 16 -0.909 -7.389 -0.682 115 HG LEU 16 HG LEU 16 1.208 -8.117 0.547 116 HD11 LEU 16 HD11 LEU 16 0.717 -9.489 2.623 117 HD12 LEU 16 HD12 LEU 16 -0.888 -8.759 2.640 118 HD13 LEU 16 HD13 LEU 16 0.542 -7.746 2.835 119 HD21 LEU 16 HD21 LEU 16 -1.118 -10.065 0.409 120 HD22 LEU 16 HD22 LEU 16 0.590 -10.507 0.434 121 HD23 LEU 16 HD23 LEU 16 -0.071 -9.620 -0.940 122 H VAL 17 H VAL 17 -0.643 -5.043 -1.551 123 HA VAL 17 HA VAL 17 2.011 -5.244 -2.615 124 HB VAL 17 HB VAL 17 -0.454 -3.616 -3.288 125 HG11 VAL 17 HG11 VAL 17 1.382 -2.313 -4.154 126 HG12 VAL 17 HG12 VAL 17 0.690 -3.208 -5.507 127 HG13 VAL 17 HG13 VAL 17 2.191 -3.758 -4.762 128 HG21 VAL 17 HG21 VAL 17 -0.381 -6.147 -3.566 129 HG22 VAL 17 HG22 VAL 17 0.874 -5.895 -4.779 130 HG23 VAL 17 HG23 VAL 17 -0.744 -5.240 -5.035 131 H VAL 18 H VAL 18 0.527 -2.847 -0.532 132 HA VAL 18 HA VAL 18 2.700 -0.880 -1.042 133 HB VAL 18 HB VAL 18 0.156 -0.861 0.619 134 HG11 VAL 18 HG11 VAL 18 0.591 1.355 1.232 135 HG12 VAL 18 HG12 VAL 18 1.769 1.585 -0.059 136 HG13 VAL 18 HG13 VAL 18 2.191 0.624 1.358 137 HG21 VAL 18 HG21 VAL 18 0.942 0.146 -2.106 138 HG22 VAL 18 HG22 VAL 18 -0.327 0.970 -1.200 139 HG23 VAL 18 HG23 VAL 18 -0.510 -0.732 -1.624 140 H MET 19 H MET 19 1.413 -2.961 1.560 141 HA MET 19 HA MET 19 3.373 -2.027 3.526 142 HB2 MET 19 HB2 MET 19 0.926 -3.031 3.728 143 HB3 MET 19 HB3 MET 19 1.794 -4.566 3.770 144 HG2 MET 19 HG2 MET 19 3.067 -3.886 5.694 145 HG3 MET 19 HG3 MET 19 2.479 -2.228 5.569 146 HE1 MET 19 HE1 MET 19 0.089 -1.491 7.084 147 HE2 MET 19 HE2 MET 19 -1.169 -2.355 6.204 148 HE3 MET 19 HE3 MET 19 0.197 -1.669 5.327 149 H SER 20 H SER 20 2.875 -5.136 1.769 150 HA SER 20 HA SER 20 5.190 -6.462 2.789 151 HB2 SER 20 HB2 SER 20 3.743 -6.717 0.136 152 HB3 SER 20 HB3 SER 20 4.860 -7.910 0.791 153 HG SER 20 HG SER 20 3.027 -8.629 1.609 154 H ARG 21 H ARG 21 4.798 -4.285 -0.003 155 HA ARG 21 HA ARG 21 7.296 -4.659 -1.283 156 HB2 ARG 21 HB2 ARG 21 5.179 -3.214 -1.820 157 HB3 ARG 21 HB3 ARG 21 6.013 -1.955 -0.909 158 HG2 ARG 21 HG2 ARG 21 7.538 -3.425 -3.027 159 HG3 ARG 21 HG3 ARG 21 6.373 -2.202 -3.531 160 HD2 ARG 21 HD2 ARG 21 8.530 -1.673 -1.459 161 HD3 ARG 21 HD3 ARG 21 8.717 -1.303 -3.184 162 HE ARG 21 HE ARG 21 6.223 -0.222 -2.332 163 HH11 ARG 21 HH11 ARG 21 8.647 1.154 -3.688 164 HH12 ARG 21 HH12 ARG 21 8.974 2.409 -2.541 165 HH21 ARG 21 HH21 ARG 21 7.054 0.966 -0.026 166 HH22 ARG 21 HH22 ARG 21 8.067 2.304 -0.460 167 H PHE 22 H PHE 22 6.460 -2.386 1.369 168 HA PHE 22 HA PHE 22 9.087 -1.275 1.699 169 HB2 PHE 22 HB2 PHE 22 6.976 -0.310 2.575 170 HB3 PHE 22 HB3 PHE 22 6.811 -1.677 3.676 171 HD1 PHE 22 HD1 PHE 22 9.127 1.115 2.756 172 HD2 PHE 22 HD2 PHE 22 7.846 -1.641 5.792 173 HE1 PHE 22 HE1 PHE 22 10.569 2.268 4.410 174 HE2 PHE 22 HE2 PHE 22 9.287 -0.487 7.447 175 HZ PHE 22 HZ PHE 22 10.650 1.467 6.756 176 H GLY 23 H GLY 23 7.438 -4.020 3.306 177 HA2 GLY 23 HA2 GLY 23 9.556 -4.685 5.110 178 HA3 GLY 23 HA3 GLY 23 8.303 -5.802 4.567 179 H PHE 24 H PHE 24 8.816 -5.812 1.802 180 HA PHE 24 HA PHE 24 10.905 -7.739 1.548 181 HB2 PHE 24 HB2 PHE 24 8.940 -6.398 -0.066 182 HB3 PHE 24 HB3 PHE 24 10.477 -6.378 -0.930 183 HD1 PHE 24 HD1 PHE 24 8.027 -8.601 0.782 184 HD2 PHE 24 HD2 PHE 24 11.391 -8.361 -1.880 185 HE1 PHE 24 HE2 PHE 24 7.736 -10.993 0.196 186 HE2 PHE 24 HE1 PHE 24 11.098 -10.752 -2.466 187 HZ PHE 24 HZ PHE 24 9.270 -12.068 -1.428 188 H PHE 25 H PHE 25 10.888 -4.214 0.975 189 HA PHE 25 HA PHE 25 13.510 -3.956 -0.132 190 HB2 PHE 25 HB2 PHE 25 11.532 -2.293 0.101 191 HB3 PHE 25 HB3 PHE 25 12.172 -1.969 1.712 192 HD1 PHE 25 HD1 PHE 25 14.412 -0.972 2.006 193 HD2 PHE 25 HD2 PHE 25 12.714 -1.581 -1.893 194 HE1 PHE 25 HE1 PHE 25 16.106 0.554 1.030 195 HE2 PHE 25 HE2 PHE 25 14.408 -0.054 -2.868 196 HZ PHE 25 HZ PHE 25 16.104 1.013 -1.407 197 H ALA 26 H ALA 26 12.378 -4.140 3.233 198 HA ALA 26 HA ALA 26 15.053 -3.603 4.345 199 HB1 ALA 26 HB1 ALA 26 12.290 -4.231 5.373 200 HB2 ALA 26 HB2 ALA 26 13.262 -2.783 5.634 201 HB3 ALA 26 HB3 ALA 26 13.672 -4.282 6.467 202 H HIS 27 H HIS 27 12.911 -6.409 3.841 203 HA HIS 27 HA HIS 27 14.568 -8.306 5.284 204 HB2 HIS 27 HB2 HIS 27 12.220 -8.330 3.429 205 HB3 HIS 27 HB3 HIS 27 13.083 -9.848 3.676 206 HD1 HIS 27 HD1 HIS 27 13.041 -10.882 6.064 207 HD2 HIS 27 HD2 HIS 27 10.827 -7.367 5.719 208 HE1 HIS 27 HE1 HIS 27 11.633 -10.714 8.162 209 H LEU 28 H LEU 28 14.385 -7.280 1.873 210 HA LEU 28 HA LEU 28 16.494 -9.257 1.135 211 HB2 LEU 28 HB2 LEU 28 14.198 -8.132 -0.084 212 HB3 LEU 28 HB3 LEU 28 15.578 -7.510 -0.986 213 HG LEU 28 HG LEU 28 15.423 -10.435 -0.287 214 HD11 LEU 28 HD11 LEU 28 14.379 -10.753 -2.563 215 HD12 LEU 28 HD12 LEU 28 14.082 -9.016 -2.605 216 HD13 LEU 28 HD13 LEU 28 13.305 -10.014 -1.376 217 HD21 LEU 28 HD21 LEU 28 16.797 -10.612 -2.334 218 HD22 LEU 28 HD22 LEU 28 17.529 -9.495 -1.183 219 HD23 LEU 28 HD23 LEU 28 16.654 -8.872 -2.583 220 H LEU 29 H LEU 29 17.156 -6.897 2.835 221 HA LEU 29 HA LEU 29 18.622 -5.061 1.039 222 HB2 LEU 29 HB2 LEU 29 17.282 -4.645 3.295 223 HB3 LEU 29 HB3 LEU 29 18.825 -5.078 4.034 224 HG LEU 29 HG LEU 29 18.931 -3.136 1.780 225 HD11 LEU 29 HD11 LEU 29 18.218 -1.265 3.096 226 HD12 LEU 29 HD12 LEU 29 18.075 -2.258 4.547 227 HD13 LEU 29 HD13 LEU 29 16.937 -2.471 3.216 228 HD21 LEU 29 HD21 LEU 29 20.832 -4.070 3.327 229 HD22 LEU 29 HD22 LEU 29 20.214 -2.901 4.495 230 HD23 LEU 29 HD23 LEU 29 20.819 -2.351 2.932 231 HA PRO 30 HA PRO 30 22.315 -7.512 1.401 232 HB2 PRO 30 HB2 PRO 30 24.048 -5.711 0.281 233 HB3 PRO 30 HB3 PRO 30 22.912 -6.682 -0.675 234 HG2 PRO 30 HG2 PRO 30 22.727 -3.838 0.169 235 HG3 PRO 30 HG3 PRO 30 22.225 -4.602 -1.346 236 HD2 PRO 30 HD2 PRO 30 20.502 -3.918 0.670 237 HD3 PRO 30 HD3 PRO 30 20.188 -5.205 -0.514 238 H ARG 31 H ARG 31 22.259 -7.305 3.782 239 HA ARG 31 HA ARG 31 23.208 -6.730 5.855 240 HB2 ARG 31 HB2 ARG 31 25.313 -5.792 3.883 241 HB3 ARG 31 HB3 ARG 31 25.575 -5.815 5.625 242 HG2 ARG 31 HG2 ARG 31 25.667 -8.106 5.725 243 HG3 ARG 31 HG3 ARG 31 24.507 -8.314 4.412 244 HD2 ARG 31 HD2 ARG 31 26.158 -7.935 2.742 245 HD3 ARG 31 HD3 ARG 31 27.298 -7.243 3.914 246 HE ARG 31 HE ARG 31 26.491 -10.131 3.883 247 HH11 ARG 31 HH11 ARG 31 27.607 -9.244 6.475 248 HH12 ARG 31 HH12 ARG 31 29.306 -9.519 6.280 249 HH21 ARG 31 HH21 ARG 31 29.135 -9.755 2.816 250 HH22 ARG 31 HH22 ARG 31 30.174 -9.811 4.200 Start of MODEL 5 1 HA ASP 1 HA ASP 1 -3.347 -22.136 -0.554 2 HB2 ASP 1 HB2 ASP 1 -1.903 -22.334 1.762 3 HB3 ASP 1 HB3 ASP 1 -1.234 -20.850 1.081 4 H THR 2 H THR 2 -3.271 -20.902 -2.394 5 HA THR 2 HA THR 2 -0.886 -19.247 -2.969 6 HB THR 2 HB THR 2 -0.443 -21.501 -3.949 7 HG1 THR 2 HG1 THR 2 0.430 -19.778 -5.034 8 HG21 THR 2 HG21 THR 2 -2.730 -20.967 -5.844 9 HG22 THR 2 HG22 THR 2 -2.964 -21.896 -4.363 10 HG23 THR 2 HG23 THR 2 -1.839 -22.468 -5.593 11 H GLU 3 H GLU 3 -1.329 -17.714 -4.786 12 HA GLU 3 HA GLU 3 -4.264 -17.285 -5.240 13 HB2 GLU 3 HB2 GLU 3 -3.798 -14.882 -4.986 14 HB3 GLU 3 HB3 GLU 3 -3.249 -15.756 -3.557 15 HG2 GLU 3 HG2 GLU 3 -1.180 -15.596 -5.622 16 HG3 GLU 3 HG3 GLU 3 -1.713 -14.005 -5.081 17 H ILE 4 H ILE 4 -2.604 -18.719 -7.071 18 HA ILE 4 HA ILE 4 -1.953 -16.771 -9.231 19 HB ILE 4 HB ILE 4 -1.498 -19.763 -8.940 20 HG12 ILE 4 HG12 ILE 4 -0.218 -18.521 -7.277 21 HG13 ILE 4 HG13 ILE 4 0.879 -19.062 -8.545 22 HG21 ILE 4 HG21 ILE 4 0.211 -19.290 -10.780 23 HG22 ILE 4 HG22 ILE 4 -0.597 -17.738 -11.001 24 HG23 ILE 4 HG23 ILE 4 -1.482 -19.240 -11.272 25 HD11 ILE 4 HD11 ILE 4 0.272 -16.695 -9.601 26 HD12 ILE 4 HD12 ILE 4 1.532 -16.847 -8.377 27 HD13 ILE 4 HD13 ILE 4 -0.080 -16.298 -7.920 28 H ILE 5 H ILE 5 -3.946 -19.695 -8.658 29 HA ILE 5 HA ILE 5 -5.373 -19.200 -11.232 30 HB ILE 5 HB ILE 5 -5.510 -21.538 -9.295 31 HG12 ILE 5 HG12 ILE 5 -4.012 -21.654 -11.888 32 HG13 ILE 5 HG13 ILE 5 -3.230 -20.867 -10.519 33 HG21 ILE 5 HG21 ILE 5 -7.414 -21.406 -10.834 34 HG22 ILE 5 HG22 ILE 5 -6.361 -22.742 -11.301 35 HG23 ILE 5 HG23 ILE 5 -6.317 -21.228 -12.205 36 HD11 ILE 5 HD11 ILE 5 -4.151 -23.725 -10.768 37 HD12 ILE 5 HD12 ILE 5 -3.919 -22.986 -9.184 38 HD13 ILE 5 HD13 ILE 5 -2.563 -23.116 -10.304 39 H GLY 6 H GLY 6 -6.226 -17.219 -9.807 40 HA2 GLY 6 HA2 GLY 6 -8.218 -16.249 -9.004 41 HA3 GLY 6 HA3 GLY 6 -8.979 -17.834 -9.117 42 H GLY 7 H GLY 7 -6.496 -16.165 -7.132 43 HA2 GLY 7 HA2 GLY 7 -7.403 -17.782 -4.794 44 HA3 GLY 7 HA3 GLY 7 -5.876 -16.906 -4.890 45 H LEU 8 H LEU 8 -5.984 -14.535 -4.868 46 HA LEU 8 HA LEU 8 -6.563 -12.671 -3.510 47 HB2 LEU 8 HB2 LEU 8 -8.465 -11.566 -4.586 48 HB3 LEU 8 HB3 LEU 8 -7.484 -12.388 -5.793 49 HG LEU 8 HG LEU 8 -9.653 -14.046 -4.665 50 HD11 LEU 8 HD11 LEU 8 -11.398 -12.902 -6.028 51 HD12 LEU 8 HD12 LEU 8 -10.262 -11.586 -6.329 52 HD13 LEU 8 HD13 LEU 8 -10.827 -11.908 -4.688 53 HD21 LEU 8 HD21 LEU 8 -9.263 -13.369 -7.563 54 HD22 LEU 8 HD22 LEU 8 -9.697 -14.912 -6.827 55 HD23 LEU 8 HD23 LEU 8 -8.033 -14.335 -6.747 56 H THR 9 H THR 9 -6.840 -14.492 -1.657 57 HA THR 9 HA THR 9 -9.639 -14.614 -0.671 58 HB THR 9 HB THR 9 -7.969 -16.544 -0.715 59 HG1 THR 9 HG1 THR 9 -8.696 -17.286 1.289 60 HG21 THR 9 HG21 THR 9 -6.819 -15.099 1.688 61 HG22 THR 9 HG22 THR 9 -6.039 -15.159 0.107 62 HG23 THR 9 HG23 THR 9 -6.287 -16.643 1.025 63 H ILE 10 H ILE 10 -7.668 -12.127 -0.643 64 HA ILE 10 HA ILE 10 -8.279 -11.383 2.191 65 HB ILE 10 HB ILE 10 -6.052 -10.087 2.032 66 HG12 ILE 10 HG12 ILE 10 -6.049 -10.698 -0.573 67 HG13 ILE 10 HG13 ILE 10 -4.550 -10.506 0.328 68 HG21 ILE 10 HG21 ILE 10 -4.728 -12.220 2.503 69 HG22 ILE 10 HG22 ILE 10 -6.212 -13.101 2.144 70 HG23 ILE 10 HG23 ILE 10 -6.167 -11.959 3.488 71 HD11 ILE 10 HD11 ILE 10 -5.000 -12.664 -1.178 72 HD12 ILE 10 HD12 ILE 10 -5.803 -13.221 0.288 73 HD13 ILE 10 HD13 ILE 10 -4.099 -12.773 0.334 74 HA PRO 11 HA PRO 11 -10.217 -8.060 0.001 75 HB2 PRO 11 HB2 PRO 11 -10.881 -6.543 2.194 76 HB3 PRO 11 HB3 PRO 11 -11.796 -7.958 1.640 77 HG2 PRO 11 HG2 PRO 11 -9.830 -7.727 3.855 78 HG3 PRO 11 HG3 PRO 11 -11.319 -8.676 3.758 79 HD2 PRO 11 HD2 PRO 11 -8.834 -9.756 3.439 80 HD3 PRO 11 HD3 PRO 11 -10.299 -10.425 2.689 81 HA PRO 12 HA PRO 12 -7.157 -4.678 1.396 82 HB2 PRO 12 HB2 PRO 12 -5.005 -5.369 2.920 83 HB3 PRO 12 HB3 PRO 12 -6.560 -4.883 3.616 84 HG2 PRO 12 HG2 PRO 12 -5.364 -7.571 3.374 85 HG3 PRO 12 HG3 PRO 12 -6.453 -6.923 4.607 86 HD2 PRO 12 HD2 PRO 12 -7.174 -8.593 2.492 87 HD3 PRO 12 HD3 PRO 12 -8.276 -7.645 3.503 88 H VAL 13 H VAL 13 -7.035 -6.157 -0.865 89 HA VAL 13 HA VAL 13 -4.511 -7.414 -1.461 90 HB VAL 13 HB VAL 13 -6.698 -7.731 -2.650 91 HG11 VAL 13 HG11 VAL 13 -6.066 -5.064 -3.947 92 HG12 VAL 13 HG12 VAL 13 -7.293 -5.285 -2.700 93 HG13 VAL 13 HG13 VAL 13 -7.465 -6.091 -4.258 94 HG21 VAL 13 HG21 VAL 13 -4.551 -8.392 -3.697 95 HG22 VAL 13 HG22 VAL 13 -4.420 -6.789 -4.419 96 HG23 VAL 13 HG23 VAL 13 -5.727 -7.869 -4.902 97 H VAL 14 H VAL 14 -5.684 -4.060 -1.939 98 HA VAL 14 HA VAL 14 -3.356 -3.130 -3.377 99 HB VAL 14 HB VAL 14 -5.480 -1.774 -1.676 100 HG11 VAL 14 HG11 VAL 14 -3.304 -0.579 -3.415 101 HG12 VAL 14 HG12 VAL 14 -3.577 -0.290 -1.697 102 HG13 VAL 14 HG13 VAL 14 -4.728 0.318 -2.888 103 HG21 VAL 14 HG21 VAL 14 -6.313 -2.847 -3.720 104 HG22 VAL 14 HG22 VAL 14 -5.071 -2.038 -4.674 105 HG23 VAL 14 HG23 VAL 14 -6.352 -1.095 -3.910 106 H ALA 15 H ALA 15 -4.300 -3.021 0.068 107 HA ALA 15 HA ALA 15 -1.943 -1.718 1.060 108 HB1 ALA 15 HB1 ALA 15 -4.244 -2.153 2.144 109 HB2 ALA 15 HB2 ALA 15 -2.835 -2.356 3.186 110 HB3 ALA 15 HB3 ALA 15 -3.639 -3.770 2.505 111 H LEU 16 H LEU 16 -2.739 -5.127 0.440 112 HA LEU 16 HA LEU 16 -0.462 -6.314 1.723 113 HB2 LEU 16 HB2 LEU 16 -2.735 -7.065 0.164 114 HB3 LEU 16 HB3 LEU 16 -1.322 -7.793 -0.591 115 HG LEU 16 HG LEU 16 -2.200 -9.322 1.089 116 HD11 LEU 16 HD11 LEU 16 0.178 -8.117 2.467 117 HD12 LEU 16 HD12 LEU 16 0.368 -8.758 0.836 118 HD13 LEU 16 HD13 LEU 16 -0.181 -9.812 2.139 119 HD21 LEU 16 HD21 LEU 16 -2.496 -8.702 3.393 120 HD22 LEU 16 HD22 LEU 16 -3.303 -7.464 2.432 121 HD23 LEU 16 HD23 LEU 16 -1.720 -7.140 3.136 122 H VAL 17 H VAL 17 -0.992 -5.154 -1.618 123 HA VAL 17 HA VAL 17 1.540 -6.028 -2.681 124 HB VAL 17 HB VAL 17 -0.500 -3.913 -3.420 125 HG11 VAL 17 HG11 VAL 17 0.806 -4.136 -5.712 126 HG12 VAL 17 HG12 VAL 17 2.159 -4.547 -4.659 127 HG13 VAL 17 HG13 VAL 17 1.349 -2.990 -4.487 128 HG21 VAL 17 HG21 VAL 17 -1.187 -5.493 -5.079 129 HG22 VAL 17 HG22 VAL 17 -0.978 -6.422 -3.594 130 HG23 VAL 17 HG23 VAL 17 0.262 -6.472 -4.846 131 H VAL 18 H VAL 18 0.539 -3.118 -0.919 132 HA VAL 18 HA VAL 18 3.086 -1.721 -1.413 133 HB VAL 18 HB VAL 18 0.672 -1.194 0.360 134 HG11 VAL 18 HG11 VAL 18 3.094 0.523 -0.262 135 HG12 VAL 18 HG12 VAL 18 2.574 -0.046 1.325 136 HG13 VAL 18 HG13 VAL 18 1.608 1.147 0.456 137 HG21 VAL 18 HG21 VAL 18 -0.084 -0.900 -1.827 138 HG22 VAL 18 HG22 VAL 18 1.502 -0.406 -2.417 139 HG23 VAL 18 HG23 VAL 18 0.527 0.715 -1.466 140 H MET 19 H MET 19 1.456 -3.315 1.347 141 HA MET 19 HA MET 19 3.456 -2.863 3.326 142 HB2 MET 19 HB2 MET 19 1.061 -3.736 3.529 143 HB3 MET 19 HB3 MET 19 1.691 -5.310 3.043 144 HG2 MET 19 HG2 MET 19 1.745 -5.388 5.404 145 HG3 MET 19 HG3 MET 19 3.406 -4.991 4.959 146 HE1 MET 19 HE1 MET 19 3.838 -4.241 7.337 147 HE2 MET 19 HE2 MET 19 2.177 -4.517 7.854 148 HE3 MET 19 HE3 MET 19 2.959 -2.980 8.212 149 H SER 20 H SER 20 3.113 -5.506 0.937 150 HA SER 20 HA SER 20 5.249 -7.159 1.896 151 HB2 SER 20 HB2 SER 20 5.176 -7.944 -0.555 152 HB3 SER 20 HB3 SER 20 3.668 -8.047 0.348 153 HG SER 20 HG SER 20 2.834 -6.567 -0.902 154 H ARG 21 H ARG 21 5.219 -4.545 -0.552 155 HA ARG 21 HA ARG 21 7.970 -4.717 -1.322 156 HB2 ARG 21 HB2 ARG 21 5.660 -3.052 -1.735 157 HB3 ARG 21 HB3 ARG 21 7.052 -2.016 -1.417 158 HG2 ARG 21 HG2 ARG 21 8.317 -3.038 -3.196 159 HG3 ARG 21 HG3 ARG 21 7.091 -4.287 -3.421 160 HD2 ARG 21 HD2 ARG 21 6.213 -1.432 -3.659 161 HD3 ARG 21 HD3 ARG 21 7.139 -2.135 -5.000 162 HE ARG 21 HE ARG 21 4.994 -3.874 -4.016 163 HH11 ARG 21 HH11 ARG 21 5.939 -3.899 -6.841 164 HH12 ARG 21 HH12 ARG 21 4.665 -3.072 -7.671 165 HH21 ARG 21 HH21 ARG 21 3.325 -1.688 -4.778 166 HH22 ARG 21 HH22 ARG 21 3.178 -1.813 -6.498 167 H PHE 22 H PHE 22 6.361 -2.935 1.316 168 HA PHE 22 HA PHE 22 8.616 -1.384 2.176 169 HB2 PHE 22 HB2 PHE 22 5.993 -2.316 3.256 170 HB3 PHE 22 HB3 PHE 22 7.166 -1.723 4.430 171 HD1 PHE 22 HD1 PHE 22 6.004 -0.756 0.981 172 HD2 PHE 22 HD2 PHE 22 6.977 0.530 4.963 173 HE1 PHE 22 HE1 PHE 22 5.447 1.578 0.363 174 HE2 PHE 22 HE2 PHE 22 6.419 2.864 4.343 175 HZ PHE 22 HZ PHE 22 5.655 3.389 2.044 176 H GLY 23 H GLY 23 7.413 -4.587 3.244 177 HA2 GLY 23 HA2 GLY 23 9.497 -5.006 5.195 178 HA3 GLY 23 HA3 GLY 23 8.450 -6.260 4.529 179 H PHE 24 H PHE 24 9.072 -6.144 1.824 180 HA PHE 24 HA PHE 24 11.452 -7.687 1.611 181 HB2 PHE 24 HB2 PHE 24 9.391 -6.567 -0.074 182 HB3 PHE 24 HB3 PHE 24 10.958 -6.363 -0.856 183 HD1 PHE 24 HD1 PHE 24 8.677 -8.864 0.693 184 HD2 PHE 24 HD2 PHE 24 12.155 -8.225 -1.747 185 HE1 PHE 24 HE1 PHE 24 8.688 -11.266 0.079 186 HE2 PHE 24 HE2 PHE 24 12.166 -10.628 -2.360 187 HZ PHE 24 HZ PHE 24 10.433 -12.149 -1.446 188 H PHE 25 H PHE 25 10.929 -4.189 1.056 189 HA PHE 25 HA PHE 25 13.559 -3.553 0.125 190 HB2 PHE 25 HB2 PHE 25 11.144 -2.255 0.674 191 HB3 PHE 25 HB3 PHE 25 12.289 -1.503 1.781 192 HD1 PHE 25 HD1 PHE 25 14.810 -1.487 0.368 193 HD2 PHE 25 HD2 PHE 25 10.847 -0.859 -1.171 194 HE1 PHE 25 HE1 PHE 25 15.747 -0.161 -1.506 195 HE2 PHE 25 HE2 PHE 25 11.785 0.468 -3.044 196 HZ PHE 25 HZ PHE 25 14.235 0.817 -3.211 197 H ALA 26 H ALA 26 12.244 -3.911 3.407 198 HA ALA 26 HA ALA 26 14.705 -2.930 4.694 199 HB1 ALA 26 HB1 ALA 26 13.428 -3.467 6.738 200 HB2 ALA 26 HB2 ALA 26 12.222 -4.311 5.768 201 HB3 ALA 26 HB3 ALA 26 12.423 -2.567 5.603 202 H HIS 27 H HIS 27 13.220 -6.044 3.881 203 HA HIS 27 HA HIS 27 15.029 -7.649 5.511 204 HB2 HIS 27 HB2 HIS 27 12.624 -8.090 4.525 205 HB3 HIS 27 HB3 HIS 27 13.517 -8.640 3.106 206 HD1 HIS 27 HD1 HIS 27 12.551 -9.637 6.529 207 HD2 HIS 27 HD2 HIS 27 15.316 -10.881 3.669 208 HE1 HIS 27 HE1 HIS 27 13.358 -11.924 7.260 209 H LEU 28 H LEU 28 14.837 -6.820 2.027 210 HA LEU 28 HA LEU 28 17.231 -8.357 1.348 211 HB2 LEU 28 HB2 LEU 28 15.086 -6.925 0.047 212 HB3 LEU 28 HB3 LEU 28 16.630 -6.413 -0.634 213 HG LEU 28 HG LEU 28 17.167 -8.974 -0.690 214 HD11 LEU 28 HD11 LEU 28 15.221 -10.409 -0.909 215 HD12 LEU 28 HD12 LEU 28 14.134 -9.032 -0.739 216 HD13 LEU 28 HD13 LEU 28 15.109 -9.561 0.633 217 HD21 LEU 28 HD21 LEU 28 15.155 -7.666 -2.551 218 HD22 LEU 28 HD22 LEU 28 16.054 -9.137 -2.925 219 HD23 LEU 28 HD23 LEU 28 16.912 -7.612 -2.702 220 H LEU 29 H LEU 29 16.502 -4.852 1.682 221 HA LEU 29 HA LEU 29 19.457 -4.344 1.741 222 HB2 LEU 29 HB2 LEU 29 17.050 -2.874 0.725 223 HB3 LEU 29 HB3 LEU 29 18.447 -1.933 1.247 224 HG LEU 29 HG LEU 29 18.772 -4.270 -0.633 225 HD11 LEU 29 HD11 LEU 29 18.325 -1.390 -1.463 226 HD12 LEU 29 HD12 LEU 29 17.082 -2.638 -1.551 227 HD13 LEU 29 HD13 LEU 29 18.546 -2.782 -2.523 228 HD21 LEU 29 HD21 LEU 29 20.831 -3.465 0.288 229 HD22 LEU 29 HD22 LEU 29 20.353 -1.783 0.067 230 HD23 LEU 29 HD23 LEU 29 20.732 -2.783 -1.335 231 HA PRO 30 HA PRO 30 18.792 -3.282 6.001 232 HB2 PRO 30 HB2 PRO 30 21.260 -2.198 6.477 233 HB3 PRO 30 HB3 PRO 30 20.977 -3.947 6.361 234 HG2 PRO 30 HG2 PRO 30 22.096 -2.074 4.341 235 HG3 PRO 30 HG3 PRO 30 22.554 -3.743 4.709 236 HD2 PRO 30 HD2 PRO 30 21.009 -3.025 2.570 237 HD3 PRO 30 HD3 PRO 30 20.939 -4.620 3.351 238 H ARG 31 H ARG 31 17.308 -1.570 6.019 239 HA ARG 31 HA ARG 31 18.395 1.159 6.174 240 HB2 ARG 31 HB2 ARG 31 16.943 1.981 4.322 241 HB3 ARG 31 HB3 ARG 31 18.137 0.816 3.754 242 HG2 ARG 31 HG2 ARG 31 16.363 -0.234 2.799 243 HG3 ARG 31 HG3 ARG 31 16.033 -0.825 4.428 244 HD2 ARG 31 HD2 ARG 31 14.251 0.605 4.728 245 HD3 ARG 31 HD3 ARG 31 14.989 1.893 3.754 246 HE ARG 31 HE ARG 31 13.985 -0.609 2.453 247 HH11 ARG 31 HH11 ARG 31 15.304 1.927 1.168 248 HH12 ARG 31 HH12 ARG 31 13.907 2.650 0.445 249 HH21 ARG 31 HH21 ARG 31 11.652 0.698 2.233 250 HH22 ARG 31 HH22 ARG 31 11.831 1.950 1.049 Start of MODEL 6 1 HA ASP 1 HA ASP 1 -16.479 15.189 1.670 2 HB2 ASP 1 HB2 ASP 1 -14.055 15.241 3.487 3 HB3 ASP 1 HB3 ASP 1 -14.251 14.031 2.219 4 H THR 2 H THR 2 -17.354 13.121 1.816 5 HA THR 2 HA THR 2 -17.574 11.902 4.553 6 HB THR 2 HB THR 2 -19.659 11.708 2.366 7 HG1 THR 2 HG1 THR 2 -20.422 13.603 2.912 8 HG21 THR 2 HG21 THR 2 -19.818 10.132 4.250 9 HG22 THR 2 HG22 THR 2 -21.146 11.292 4.294 10 HG23 THR 2 HG23 THR 2 -19.775 11.479 5.387 11 H GLU 3 H GLU 3 -15.449 11.007 3.249 12 HA GLU 3 HA GLU 3 -16.190 8.268 2.422 13 HB2 GLU 3 HB2 GLU 3 -16.190 10.039 0.457 14 HB3 GLU 3 HB3 GLU 3 -14.439 9.858 0.562 15 HG2 GLU 3 HG2 GLU 3 -15.121 8.236 -1.036 16 HG3 GLU 3 HG3 GLU 3 -14.859 7.322 0.450 17 H ILE 4 H ILE 4 -14.958 8.183 4.587 18 HA ILE 4 HA ILE 4 -12.222 7.336 4.118 19 HB ILE 4 HB ILE 4 -12.132 9.881 4.080 20 HG12 ILE 4 HG12 ILE 4 -10.542 9.124 6.460 21 HG13 ILE 4 HG13 ILE 4 -10.355 8.056 5.069 22 HG21 ILE 4 HG21 ILE 4 -12.469 11.122 6.082 23 HG22 ILE 4 HG22 ILE 4 -12.554 9.662 7.066 24 HG23 ILE 4 HG23 ILE 4 -13.870 10.058 5.962 25 HD11 ILE 4 HD11 ILE 4 -8.720 9.728 4.724 26 HD12 ILE 4 HD12 ILE 4 -9.805 11.017 5.247 27 HD13 ILE 4 HD13 ILE 4 -10.060 10.227 3.691 28 H ILE 5 H ILE 5 -11.454 6.109 5.889 29 HA ILE 5 HA ILE 5 -11.541 4.904 7.908 30 HB ILE 5 HB ILE 5 -13.300 7.231 8.769 31 HG12 ILE 5 HG12 ILE 5 -10.347 7.063 9.291 32 HG13 ILE 5 HG13 ILE 5 -10.902 7.648 7.724 33 HG21 ILE 5 HG21 ILE 5 -13.405 5.573 10.456 34 HG22 ILE 5 HG22 ILE 5 -12.131 6.665 10.999 35 HG23 ILE 5 HG23 ILE 5 -11.712 5.128 10.241 36 HD11 ILE 5 HD11 ILE 5 -12.458 9.209 9.088 37 HD12 ILE 5 HD12 ILE 5 -10.742 9.610 9.025 38 HD13 ILE 5 HD13 ILE 5 -11.412 8.822 10.453 39 H GLY 6 H GLY 6 -13.082 3.624 9.273 40 HA2 GLY 6 HA2 GLY 6 -15.609 3.192 9.571 41 HA3 GLY 6 HA3 GLY 6 -15.647 3.151 7.809 42 H GLY 7 H GLY 7 -13.027 1.771 7.620 43 HA2 GLY 7 HA2 GLY 7 -12.089 -0.400 8.211 44 HA3 GLY 7 HA3 GLY 7 -13.666 -0.868 8.849 45 H LEU 8 H LEU 8 -15.345 -0.143 6.752 46 HA LEU 8 HA LEU 8 -14.561 -2.144 4.685 47 HB2 LEU 8 HB2 LEU 8 -17.112 -0.938 5.737 48 HB3 LEU 8 HB3 LEU 8 -17.107 -1.734 4.163 49 HG LEU 8 HG LEU 8 -15.874 -3.126 6.523 50 HD11 LEU 8 HD11 LEU 8 -18.043 -2.507 7.381 51 HD12 LEU 8 HD12 LEU 8 -18.131 -4.199 6.892 52 HD13 LEU 8 HD13 LEU 8 -18.826 -2.947 5.863 53 HD21 LEU 8 HD21 LEU 8 -15.682 -3.968 4.149 54 HD22 LEU 8 HD22 LEU 8 -17.436 -4.157 4.134 55 HD23 LEU 8 HD23 LEU 8 -16.457 -5.106 5.253 56 H THR 9 H THR 9 -13.493 0.682 4.713 57 HA THR 9 HA THR 9 -14.517 1.510 2.016 58 HB THR 9 HB THR 9 -13.903 3.879 2.971 59 HG1 THR 9 HG1 THR 9 -14.164 3.965 5.226 60 HG21 THR 9 HG21 THR 9 -16.212 2.840 2.471 61 HG22 THR 9 HG22 THR 9 -16.159 4.203 3.589 62 HG23 THR 9 HG23 THR 9 -16.315 2.559 4.208 63 H ILE 10 H ILE 10 -12.185 -0.160 2.702 64 HA ILE 10 HA ILE 10 -10.069 1.525 1.450 65 HB ILE 10 HB ILE 10 -8.468 0.466 3.161 66 HG12 ILE 10 HG12 ILE 10 -10.873 0.164 4.932 67 HG13 ILE 10 HG13 ILE 10 -10.460 -1.158 3.841 68 HG21 ILE 10 HG21 ILE 10 -10.509 2.236 4.491 69 HG22 ILE 10 HG22 ILE 10 -9.517 2.848 3.168 70 HG23 ILE 10 HG23 ILE 10 -8.752 2.262 4.646 71 HD11 ILE 10 HD11 ILE 10 -8.728 0.058 6.004 72 HD12 ILE 10 HD12 ILE 10 -8.095 -1.027 4.766 73 HD13 ILE 10 HD13 ILE 10 -9.317 -1.602 5.900 74 HA PRO 11 HA PRO 11 -9.607 -2.229 -0.847 75 HB2 PRO 11 HB2 PRO 11 -7.240 -1.659 -2.090 76 HB3 PRO 11 HB3 PRO 11 -8.780 -0.911 -2.556 77 HG2 PRO 11 HG2 PRO 11 -6.548 0.201 -0.948 78 HG3 PRO 11 HG3 PRO 11 -7.626 1.006 -2.097 79 HD2 PRO 11 HD2 PRO 11 -7.867 1.153 0.643 80 HD3 PRO 11 HD3 PRO 11 -9.190 1.445 -0.507 81 HA PRO 12 HA PRO 12 -6.920 -4.297 2.136 82 HB2 PRO 12 HB2 PRO 12 -7.771 -6.834 1.547 83 HB3 PRO 12 HB3 PRO 12 -8.677 -5.727 2.598 84 HG2 PRO 12 HG2 PRO 12 -9.131 -6.419 -0.259 85 HG3 PRO 12 HG3 PRO 12 -10.305 -6.132 1.034 86 HD2 PRO 12 HD2 PRO 12 -9.688 -4.289 -0.883 87 HD3 PRO 12 HD3 PRO 12 -10.269 -3.865 0.742 88 H VAL 13 H VAL 13 -7.382 -5.376 -1.244 89 HA VAL 13 HA VAL 13 -4.967 -6.915 -1.455 90 HB VAL 13 HB VAL 13 -5.374 -6.655 -3.900 91 HG11 VAL 13 HG11 VAL 13 -7.474 -7.797 -3.936 92 HG12 VAL 13 HG12 VAL 13 -7.998 -7.026 -2.439 93 HG13 VAL 13 HG13 VAL 13 -6.710 -8.230 -2.407 94 HG21 VAL 13 HG21 VAL 13 -7.455 -4.650 -2.965 95 HG22 VAL 13 HG22 VAL 13 -7.392 -5.320 -4.593 96 HG23 VAL 13 HG23 VAL 13 -6.063 -4.326 -3.998 97 H VAL 14 H VAL 14 -5.627 -3.449 -1.961 98 HA VAL 14 HA VAL 14 -3.076 -2.777 -3.129 99 HB VAL 14 HB VAL 14 -5.153 -1.216 -1.550 100 HG11 VAL 14 HG11 VAL 14 -4.044 0.793 -2.632 101 HG12 VAL 14 HG12 VAL 14 -2.701 -0.267 -3.060 102 HG13 VAL 14 HG13 VAL 14 -3.094 0.020 -1.364 103 HG21 VAL 14 HG21 VAL 14 -5.877 -2.170 -3.732 104 HG22 VAL 14 HG22 VAL 14 -4.530 -1.347 -4.521 105 HG23 VAL 14 HG23 VAL 14 -5.822 -0.408 -3.773 106 H ALA 15 H ALA 15 -4.282 -2.791 0.234 107 HA ALA 15 HA ALA 15 -1.903 -1.738 1.462 108 HB1 ALA 15 HB1 ALA 15 -3.988 -1.716 2.638 109 HB2 ALA 15 HB2 ALA 15 -2.979 -2.880 3.496 110 HB3 ALA 15 HB3 ALA 15 -4.227 -3.445 2.387 111 H LEU 16 H LEU 16 -2.894 -5.032 0.562 112 HA LEU 16 HA LEU 16 -0.755 -6.387 1.990 113 HB2 LEU 16 HB2 LEU 16 -3.090 -7.154 0.966 114 HB3 LEU 16 HB3 LEU 16 -2.095 -7.505 -0.449 115 HG LEU 16 HG LEU 16 -0.528 -8.726 1.232 116 HD11 LEU 16 HD11 LEU 16 -1.658 -9.591 3.226 117 HD12 LEU 16 HD12 LEU 16 -3.125 -8.710 2.801 118 HD13 LEU 16 HD13 LEU 16 -1.668 -7.827 3.256 119 HD21 LEU 16 HD21 LEU 16 -1.780 -9.947 -0.439 120 HD22 LEU 16 HD22 LEU 16 -3.278 -9.751 0.470 121 HD23 LEU 16 HD23 LEU 16 -1.994 -10.781 1.101 122 H VAL 17 H VAL 17 -1.162 -5.223 -1.367 123 HA VAL 17 HA VAL 17 1.228 -6.379 -2.459 124 HB VAL 17 HB VAL 17 -0.458 -3.948 -3.124 125 HG11 VAL 17 HG11 VAL 17 0.761 -4.270 -5.424 126 HG12 VAL 17 HG12 VAL 17 2.021 -5.026 -4.449 127 HG13 VAL 17 HG13 VAL 17 1.564 -3.349 -4.152 128 HG21 VAL 17 HG21 VAL 17 -0.168 -6.436 -4.783 129 HG22 VAL 17 HG22 VAL 17 -1.545 -5.341 -4.647 130 HG23 VAL 17 HG23 VAL 17 -1.189 -6.478 -3.346 131 H VAL 18 H VAL 18 0.652 -3.392 -0.633 132 HA VAL 18 HA VAL 18 3.339 -2.320 -1.089 133 HB VAL 18 HB VAL 18 1.093 -1.656 0.850 134 HG11 VAL 18 HG11 VAL 18 3.818 -0.502 0.443 135 HG12 VAL 18 HG12 VAL 18 2.849 -0.604 1.914 136 HG13 VAL 18 HG13 VAL 18 2.489 0.628 0.705 137 HG21 VAL 18 HG21 VAL 18 0.644 -1.356 -1.611 138 HG22 VAL 18 HG22 VAL 18 2.004 -0.236 -1.673 139 HG23 VAL 18 HG23 VAL 18 0.588 0.149 -0.694 140 H MET 19 H MET 19 1.712 -4.247 1.409 141 HA MET 19 HA MET 19 3.709 -4.073 3.457 142 HB2 MET 19 HB2 MET 19 1.229 -5.058 3.276 143 HB3 MET 19 HB3 MET 19 2.109 -6.564 3.017 144 HG2 MET 19 HG2 MET 19 1.870 -6.504 5.352 145 HG3 MET 19 HG3 MET 19 3.488 -5.843 5.110 146 HE1 MET 19 HE1 MET 19 -0.197 -4.099 4.647 147 HE2 MET 19 HE2 MET 19 -0.363 -3.786 6.373 148 HE3 MET 19 HE3 MET 19 -0.093 -5.433 5.805 149 H SER 20 H SER 20 3.248 -6.483 0.830 150 HA SER 20 HA SER 20 5.441 -8.184 1.522 151 HB2 SER 20 HB2 SER 20 5.236 -8.806 -0.945 152 HB3 SER 20 HB3 SER 20 3.743 -8.904 -0.019 153 HG SER 20 HG SER 20 2.950 -7.454 -1.306 154 H ARG 21 H ARG 21 5.289 -5.469 -0.826 155 HA ARG 21 HA ARG 21 8.060 -5.542 -1.581 156 HB2 ARG 21 HB2 ARG 21 5.711 -3.749 -1.804 157 HB3 ARG 21 HB3 ARG 21 7.272 -2.933 -1.904 158 HG2 ARG 21 HG2 ARG 21 6.959 -3.515 -4.130 159 HG3 ARG 21 HG3 ARG 21 7.854 -4.919 -3.550 160 HD2 ARG 21 HD2 ARG 21 6.102 -6.095 -4.460 161 HD3 ARG 21 HD3 ARG 21 5.268 -5.650 -2.960 162 HE ARG 21 HE ARG 21 4.254 -3.760 -4.139 163 HH11 ARG 21 HH11 ARG 21 3.409 -5.972 -5.903 164 HH12 ARG 21 HH12 ARG 21 3.923 -5.441 -7.469 165 HH21 ARG 21 HH21 ARG 21 6.103 -3.037 -6.225 166 HH22 ARG 21 HH22 ARG 21 5.452 -3.771 -7.651 167 H PHE 22 H PHE 22 6.316 -3.766 0.975 168 HA PHE 22 HA PHE 22 8.492 -2.167 1.926 169 HB2 PHE 22 HB2 PHE 22 6.238 -1.667 2.558 170 HB3 PHE 22 HB3 PHE 22 5.961 -3.309 3.137 171 HD1 PHE 22 HD1 PHE 22 8.159 -0.333 3.761 172 HD2 PHE 22 HD2 PHE 22 6.204 -3.783 5.413 173 HE1 PHE 22 HE2 PHE 22 8.891 0.339 6.034 174 HE2 PHE 22 HE1 PHE 22 6.935 -3.110 7.685 175 HZ PHE 22 HZ PHE 22 8.278 -1.050 7.996 176 H GLY 23 H GLY 23 7.330 -5.410 2.926 177 HA2 GLY 23 HA2 GLY 23 9.153 -5.857 5.051 178 HA3 GLY 23 HA3 GLY 23 8.423 -7.135 4.081 179 H PHE 24 H PHE 24 9.518 -6.437 1.549 180 HA PHE 24 HA PHE 24 12.167 -7.615 1.773 181 HB2 PHE 24 HB2 PHE 24 10.165 -7.129 -0.198 182 HB3 PHE 24 HB3 PHE 24 11.654 -6.384 -0.780 183 HD1 PHE 24 HD1 PHE 24 13.807 -7.791 -0.730 184 HD2 PHE 24 HD2 PHE 24 9.877 -9.470 -0.292 185 HE1 PHE 24 HE1 PHE 24 14.697 -10.029 -1.322 186 HE2 PHE 24 HE2 PHE 24 10.767 -11.707 -0.884 187 HZ PHE 24 HZ PHE 24 13.176 -11.987 -1.398 188 H PHE 25 H PHE 25 10.968 -4.360 0.848 189 HA PHE 25 HA PHE 25 13.493 -3.131 0.375 190 HB2 PHE 25 HB2 PHE 25 10.698 -2.351 0.927 191 HB3 PHE 25 HB3 PHE 25 11.889 -1.131 1.374 192 HD1 PHE 25 HD1 PHE 25 13.724 -0.575 -0.388 193 HD2 PHE 25 HD2 PHE 25 10.038 -2.577 -1.318 194 HE1 PHE 25 HE2 PHE 25 13.990 0.043 -2.774 195 HE2 PHE 25 HE1 PHE 25 10.304 -1.958 -3.704 196 HZ PHE 25 HZ PHE 25 12.280 -0.648 -4.432 197 H ALA 26 H ALA 26 11.738 -3.728 3.405 198 HA ALA 26 HA ALA 26 13.164 -2.037 5.177 199 HB1 ALA 26 HB1 ALA 26 11.151 -3.291 5.768 200 HB2 ALA 26 HB2 ALA 26 12.451 -3.747 6.869 201 HB3 ALA 26 HB3 ALA 26 12.002 -4.819 5.542 202 H HIS 27 H HIS 27 14.022 -5.271 3.930 203 HA HIS 27 HA HIS 27 16.678 -5.036 5.310 204 HB2 HIS 27 HB2 HIS 27 14.715 -7.034 5.314 205 HB3 HIS 27 HB3 HIS 27 15.956 -7.651 4.225 206 HD1 HIS 27 HD1 HIS 27 16.114 -5.735 7.534 207 HD2 HIS 27 HD2 HIS 27 17.724 -9.130 5.729 208 HE1 HIS 27 HE1 HIS 27 17.715 -6.750 9.215 209 H LEU 28 H LEU 28 15.881 -3.849 2.648 210 HA LEU 28 HA LEU 28 18.099 -5.034 1.053 211 HB2 LEU 28 HB2 LEU 28 15.773 -6.053 0.552 212 HB3 LEU 28 HB3 LEU 28 15.379 -4.486 -0.153 213 HG LEU 28 HG LEU 28 17.649 -4.820 -1.448 214 HD11 LEU 28 HD11 LEU 28 18.394 -6.824 -0.308 215 HD12 LEU 28 HD12 LEU 28 17.978 -7.266 -1.964 216 HD13 LEU 28 HD13 LEU 28 16.867 -7.638 -0.647 217 HD21 LEU 28 HD21 LEU 28 15.477 -4.686 -2.551 218 HD22 LEU 28 HD22 LEU 28 15.096 -6.340 -2.071 219 HD23 LEU 28 HD23 LEU 28 16.383 -6.035 -3.238 220 H LEU 29 H LEU 29 15.501 -2.554 0.989 221 HA LEU 29 HA LEU 29 15.581 -0.246 0.541 222 HB2 LEU 29 HB2 LEU 29 18.101 -1.014 1.736 223 HB3 LEU 29 HB3 LEU 29 18.366 0.278 0.566 224 HG LEU 29 HG LEU 29 16.235 1.335 1.733 225 HD11 LEU 29 HD11 LEU 29 16.284 0.816 4.187 226 HD12 LEU 29 HD12 LEU 29 17.384 -0.519 3.841 227 HD13 LEU 29 HD13 LEU 29 15.741 -0.540 3.200 228 HD21 LEU 29 HD21 LEU 29 18.925 1.313 3.134 229 HD22 LEU 29 HD22 LEU 29 17.729 2.609 3.157 230 HD23 LEU 29 HD23 LEU 29 18.591 2.231 1.665 231 HA PRO 30 HA PRO 30 16.473 0.048 -3.753 232 HB2 PRO 30 HB2 PRO 30 16.605 2.759 -4.090 233 HB3 PRO 30 HB3 PRO 30 15.082 1.897 -3.795 234 HG2 PRO 30 HG2 PRO 30 16.749 3.487 -1.923 235 HG3 PRO 30 HG3 PRO 30 14.989 3.328 -2.014 236 HD2 PRO 30 HD2 PRO 30 16.581 2.032 -0.182 237 HD3 PRO 30 HD3 PRO 30 14.967 1.484 -0.682 238 H ARG 31 H ARG 31 18.495 -0.576 -4.468 239 HA ARG 31 HA ARG 31 20.718 1.376 -4.377 240 HB2 ARG 31 HB2 ARG 31 20.401 -0.570 -2.387 241 HB3 ARG 31 HB3 ARG 31 21.616 -1.251 -3.468 242 HG2 ARG 31 HG2 ARG 31 21.757 1.584 -2.416 243 HG3 ARG 31 HG3 ARG 31 22.531 0.222 -1.608 244 HD2 ARG 31 HD2 ARG 31 23.037 0.768 -4.540 245 HD3 ARG 31 HD3 ARG 31 23.986 1.572 -3.276 246 HE ARG 31 HE ARG 31 23.783 -1.408 -3.545 247 HH11 ARG 31 HH11 ARG 31 26.263 -0.150 -4.558 248 HH12 ARG 31 HH12 ARG 31 27.319 -0.215 -3.187 249 HH21 ARG 31 HH21 ARG 31 24.755 -0.789 -0.912 250 HH22 ARG 31 HH22 ARG 31 26.462 -0.581 -1.114 Start of MODEL 7 1 HA ASP 1 HA ASP 1 -24.848 7.811 10.137 2 HB2 ASP 1 HB2 ASP 1 -25.968 5.562 8.430 3 HB3 ASP 1 HB3 ASP 1 -24.400 5.492 9.233 4 H THR 2 H THR 2 -22.961 8.479 9.134 5 HA THR 2 HA THR 2 -23.010 9.581 6.470 6 HB THR 2 HB THR 2 -20.487 9.700 6.933 7 HG1 THR 2 HG1 THR 2 -20.308 7.938 8.296 8 HG21 THR 2 HG21 THR 2 -22.204 11.454 7.567 9 HG22 THR 2 HG22 THR 2 -20.747 11.445 8.560 10 HG23 THR 2 HG23 THR 2 -22.238 10.731 9.175 11 H GLU 3 H GLU 3 -22.752 8.517 4.553 12 HA GLU 3 HA GLU 3 -22.264 6.818 2.999 13 HB2 GLU 3 HB2 GLU 3 -20.016 7.248 4.745 14 HB3 GLU 3 HB3 GLU 3 -20.085 5.539 4.316 15 HG2 GLU 3 HG2 GLU 3 -18.917 6.319 2.487 16 HG3 GLU 3 HG3 GLU 3 -20.560 6.556 1.888 17 H ILE 4 H ILE 4 -24.296 5.716 3.635 18 HA ILE 4 HA ILE 4 -24.152 3.517 5.590 19 HB ILE 4 HB ILE 4 -26.524 3.184 4.833 20 HG12 ILE 4 HG12 ILE 4 -26.565 5.700 3.301 21 HG13 ILE 4 HG13 ILE 4 -25.681 4.401 2.500 22 HG21 ILE 4 HG21 ILE 4 -25.984 6.111 5.346 23 HG22 ILE 4 HG22 ILE 4 -25.750 4.885 6.592 24 HG23 ILE 4 HG23 ILE 4 -27.350 5.140 5.895 25 HD11 ILE 4 HD11 ILE 4 -28.128 4.435 1.938 26 HD12 ILE 4 HD12 ILE 4 -28.478 4.102 3.634 27 HD13 ILE 4 HD13 ILE 4 -27.597 2.919 2.668 28 H ILE 5 H ILE 5 -22.202 2.901 3.845 29 HA ILE 5 HA ILE 5 -23.139 0.423 2.605 30 HB ILE 5 HB ILE 5 -23.747 2.197 0.955 31 HG12 ILE 5 HG12 ILE 5 -21.428 0.741 -0.264 32 HG13 ILE 5 HG13 ILE 5 -22.750 -0.207 0.417 33 HG21 ILE 5 HG21 ILE 5 -21.680 3.617 1.679 34 HG22 ILE 5 HG22 ILE 5 -22.168 3.638 -0.015 35 HG23 ILE 5 HG23 ILE 5 -20.805 2.644 0.497 36 HD11 ILE 5 HD11 ILE 5 -24.366 0.962 -0.995 37 HD12 ILE 5 HD12 ILE 5 -23.086 0.287 -2.004 38 HD13 ILE 5 HD13 ILE 5 -23.093 2.010 -1.625 39 H GLY 6 H GLY 6 -21.465 -1.041 2.695 40 HA2 GLY 6 HA2 GLY 6 -19.252 -1.870 2.751 41 HA3 GLY 6 HA3 GLY 6 -18.679 -0.250 2.351 42 H GLY 7 H GLY 7 -19.324 -2.485 4.929 43 HA2 GLY 7 HA2 GLY 7 -18.843 -0.437 7.015 44 HA3 GLY 7 HA3 GLY 7 -19.276 -2.123 7.304 45 H LEU 8 H LEU 8 -17.478 -3.682 6.309 46 HA LEU 8 HA LEU 8 -14.776 -2.581 7.001 47 HB2 LEU 8 HB2 LEU 8 -14.377 -4.744 8.186 48 HB3 LEU 8 HB3 LEU 8 -15.700 -3.828 8.899 49 HG LEU 8 HG LEU 8 -16.596 -5.622 6.758 50 HD11 LEU 8 HD11 LEU 8 -15.380 -6.822 9.266 51 HD12 LEU 8 HD12 LEU 8 -14.719 -6.982 7.638 52 HD13 LEU 8 HD13 LEU 8 -16.280 -7.702 8.030 53 HD21 LEU 8 HD21 LEU 8 -17.329 -5.427 9.698 54 HD22 LEU 8 HD22 LEU 8 -18.293 -6.169 8.422 55 HD23 LEU 8 HD23 LEU 8 -18.034 -4.425 8.430 56 H THR 9 H THR 9 -15.664 -2.780 4.348 57 HA THR 9 HA THR 9 -14.601 -5.335 3.258 58 HB THR 9 HB THR 9 -15.444 -4.217 1.099 59 HG1 THR 9 HG1 THR 9 -15.500 -2.104 1.701 60 HG21 THR 9 HG21 THR 9 -17.389 -4.652 3.382 61 HG22 THR 9 HG22 THR 9 -16.751 -5.904 2.316 62 HG23 THR 9 HG23 THR 9 -17.809 -4.650 1.669 63 H ILE 10 H ILE 10 -12.440 -4.315 4.292 64 HA ILE 10 HA ILE 10 -11.130 -2.275 2.642 65 HB ILE 10 HB ILE 10 -10.813 -2.637 5.117 66 HG12 ILE 10 HG12 ILE 10 -8.226 -2.997 3.586 67 HG13 ILE 10 HG13 ILE 10 -9.132 -1.484 3.584 68 HG21 ILE 10 HG21 ILE 10 -10.711 -5.223 4.732 69 HG22 ILE 10 HG22 ILE 10 -9.684 -4.507 5.973 70 HG23 ILE 10 HG23 ILE 10 -9.003 -4.935 4.404 71 HD11 ILE 10 HD11 ILE 10 -9.067 -1.724 6.183 72 HD12 ILE 10 HD12 ILE 10 -7.619 -1.164 5.347 73 HD13 ILE 10 HD13 ILE 10 -7.738 -2.841 5.879 74 HA PRO 11 HA PRO 11 -9.537 -5.191 -0.284 75 HB2 PRO 11 HB2 PRO 11 -7.740 -3.551 -1.529 76 HB3 PRO 11 HB3 PRO 11 -9.492 -3.429 -1.776 77 HG2 PRO 11 HG2 PRO 11 -7.686 -1.722 -0.174 78 HG3 PRO 11 HG3 PRO 11 -9.172 -1.303 -1.036 79 HD2 PRO 11 HD2 PRO 11 -8.935 -1.699 1.711 80 HD3 PRO 11 HD3 PRO 11 -10.454 -1.684 0.793 81 HA PRO 12 HA PRO 12 -5.942 -6.374 2.191 82 HB2 PRO 12 HB2 PRO 12 -5.851 -8.960 1.296 83 HB3 PRO 12 HB3 PRO 12 -6.966 -8.412 2.563 84 HG2 PRO 12 HG2 PRO 12 -7.480 -8.905 -0.327 85 HG3 PRO 12 HG3 PRO 12 -8.505 -9.243 1.077 86 HD2 PRO 12 HD2 PRO 12 -8.870 -7.105 -0.578 87 HD3 PRO 12 HD3 PRO 12 -9.352 -7.120 1.133 88 H VAL 13 H VAL 13 -6.381 -7.147 -1.274 89 HA VAL 13 HA VAL 13 -3.641 -7.654 -1.910 90 HB VAL 13 HB VAL 13 -5.614 -8.208 -3.317 91 HG11 VAL 13 HG11 VAL 13 -6.810 -6.023 -2.867 92 HG12 VAL 13 HG12 VAL 13 -6.796 -6.514 -4.560 93 HG13 VAL 13 HG13 VAL 13 -5.695 -5.257 -3.998 94 HG21 VAL 13 HG21 VAL 13 -4.048 -6.342 -5.038 95 HG22 VAL 13 HG22 VAL 13 -4.433 -8.045 -5.286 96 HG23 VAL 13 HG23 VAL 13 -3.146 -7.586 -4.171 97 H VAL 14 H VAL 14 -5.482 -4.599 -1.764 98 HA VAL 14 HA VAL 14 -3.451 -2.916 -2.927 99 HB VAL 14 HB VAL 14 -5.738 -2.427 -0.987 100 HG11 VAL 14 HG11 VAL 14 -5.497 -0.023 -1.775 101 HG12 VAL 14 HG12 VAL 14 -3.928 -0.479 -2.440 102 HG13 VAL 14 HG13 VAL 14 -4.215 -0.587 -0.702 103 HG21 VAL 14 HG21 VAL 14 -6.858 -1.554 -3.017 104 HG22 VAL 14 HG22 VAL 14 -6.387 -3.240 -3.226 105 HG23 VAL 14 HG23 VAL 14 -5.432 -1.959 -3.972 106 H ALA 15 H ALA 15 -4.273 -3.675 0.478 107 HA ALA 15 HA ALA 15 -2.154 -2.135 1.672 108 HB1 ALA 15 HB1 ALA 15 -2.710 -3.619 3.639 109 HB2 ALA 15 HB2 ALA 15 -3.752 -4.557 2.568 110 HB3 ALA 15 HB3 ALA 15 -4.123 -2.864 2.900 111 H LEU 16 H LEU 16 -2.341 -5.468 0.460 112 HA LEU 16 HA LEU 16 0.150 -6.416 1.549 113 HB2 LEU 16 HB2 LEU 16 -1.939 -7.591 0.456 114 HB3 LEU 16 HB3 LEU 16 -1.065 -7.342 -1.051 115 HG LEU 16 HG LEU 16 -0.676 -9.584 0.077 116 HD11 LEU 16 HD11 LEU 16 1.589 -9.664 -0.586 117 HD12 LEU 16 HD12 LEU 16 1.870 -7.983 -0.134 118 HD13 LEU 16 HD13 LEU 16 0.901 -8.363 -1.557 119 HD21 LEU 16 HD21 LEU 16 1.049 -7.982 1.979 120 HD22 LEU 16 HD22 LEU 16 0.676 -9.703 2.044 121 HD23 LEU 16 HD23 LEU 16 -0.578 -8.516 2.401 122 H VAL 17 H VAL 17 -0.698 -5.028 -1.648 123 HA VAL 17 HA VAL 17 1.932 -5.213 -2.789 124 HB VAL 17 HB VAL 17 -0.517 -3.504 -3.309 125 HG11 VAL 17 HG11 VAL 17 1.354 -2.237 -4.180 126 HG12 VAL 17 HG12 VAL 17 0.561 -3.031 -5.540 127 HG13 VAL 17 HG13 VAL 17 2.065 -3.685 -4.891 128 HG21 VAL 17 HG21 VAL 17 -0.271 -6.121 -3.691 129 HG22 VAL 17 HG22 VAL 17 0.591 -5.606 -5.140 130 HG23 VAL 17 HG23 VAL 17 -1.084 -5.113 -4.887 131 H VAL 18 H VAL 18 0.611 -2.981 -0.449 132 HA VAL 18 HA VAL 18 2.782 -1.000 -0.971 133 HB VAL 18 HB VAL 18 0.272 -1.006 0.738 134 HG11 VAL 18 HG11 VAL 18 0.768 1.392 1.131 135 HG12 VAL 18 HG12 VAL 18 2.312 1.199 0.302 136 HG13 VAL 18 HG13 VAL 18 2.014 0.352 1.819 137 HG21 VAL 18 HG21 VAL 18 0.525 -0.663 -1.965 138 HG22 VAL 18 HG22 VAL 18 0.700 0.997 -1.398 139 HG23 VAL 18 HG23 VAL 18 -0.748 0.076 -0.994 140 H MET 19 H MET 19 1.460 -3.053 1.646 141 HA MET 19 HA MET 19 3.474 -2.283 3.594 142 HB2 MET 19 HB2 MET 19 1.125 -3.164 3.988 143 HB3 MET 19 HB3 MET 19 1.723 -4.756 3.517 144 HG2 MET 19 HG2 MET 19 3.171 -4.895 5.375 145 HG3 MET 19 HG3 MET 19 3.109 -3.156 5.666 146 HE1 MET 19 HE1 MET 19 2.876 -4.824 8.074 147 HE2 MET 19 HE2 MET 19 1.437 -4.210 8.885 148 HE3 MET 19 HE3 MET 19 2.531 -3.089 8.078 149 H SER 20 H SER 20 3.050 -5.181 1.503 150 HA SER 20 HA SER 20 5.403 -6.539 2.488 151 HB2 SER 20 HB2 SER 20 3.823 -6.753 -0.091 152 HB3 SER 20 HB3 SER 20 5.036 -7.918 0.428 153 HG SER 20 HG SER 20 3.331 -8.770 1.367 154 H ARG 21 H ARG 21 4.843 -4.394 -0.324 155 HA ARG 21 HA ARG 21 7.326 -4.644 -1.637 156 HB2 ARG 21 HB2 ARG 21 5.228 -3.335 -2.270 157 HB3 ARG 21 HB3 ARG 21 5.801 -2.063 -1.190 158 HG2 ARG 21 HG2 ARG 21 7.680 -1.602 -2.521 159 HG3 ARG 21 HG3 ARG 21 7.615 -3.172 -3.322 160 HD2 ARG 21 HD2 ARG 21 6.620 -1.987 -5.018 161 HD3 ARG 21 HD3 ARG 21 5.166 -2.118 -4.007 162 HE ARG 21 HE ARG 21 5.518 0.136 -3.257 163 HH11 ARG 21 HH11 ARG 21 6.260 0.556 -6.147 164 HH12 ARG 21 HH12 ARG 21 7.769 1.393 -6.011 165 HH21 ARG 21 HH21 ARG 21 8.248 0.523 -2.679 166 HH22 ARG 21 HH22 ARG 21 8.901 1.376 -4.039 167 H PHE 22 H PHE 22 6.471 -2.497 1.099 168 HA PHE 22 HA PHE 22 9.152 -1.364 1.318 169 HB2 PHE 22 HB2 PHE 22 7.041 -0.224 1.986 170 HB3 PHE 22 HB3 PHE 22 6.802 -1.433 3.245 171 HD1 PHE 22 HD1 PHE 22 8.962 1.358 2.109 172 HD2 PHE 22 HD2 PHE 22 8.071 -1.385 5.293 173 HE1 PHE 22 HE1 PHE 22 10.410 2.665 3.641 174 HE2 PHE 22 HE2 PHE 22 9.518 -0.078 6.824 175 HZ PHE 22 HZ PHE 22 10.688 1.947 5.998 176 H GLY 23 H GLY 23 7.283 -3.809 3.159 177 HA2 GLY 23 HA2 GLY 23 9.270 -4.376 5.121 178 HA3 GLY 23 HA3 GLY 23 7.995 -5.492 4.632 179 H PHE 24 H PHE 24 8.661 -5.884 1.935 180 HA PHE 24 HA PHE 24 10.704 -7.886 2.081 181 HB2 PHE 24 HB2 PHE 24 9.060 -6.517 0.010 182 HB3 PHE 24 HB3 PHE 24 10.512 -7.330 -0.567 183 HD1 PHE 24 HD1 PHE 24 7.490 -7.875 1.581 184 HD2 PHE 24 HD2 PHE 24 10.521 -9.657 -0.890 185 HE1 PHE 24 HE2 PHE 24 6.342 -10.065 1.752 186 HE2 PHE 24 HE1 PHE 24 9.370 -11.848 -0.718 187 HZ PHE 24 HZ PHE 24 7.282 -12.051 0.603 188 H PHE 25 H PHE 25 10.779 -4.525 0.847 189 HA PHE 25 HA PHE 25 13.431 -4.485 -0.170 190 HB2 PHE 25 HB2 PHE 25 11.454 -2.752 -0.159 191 HB3 PHE 25 HB3 PHE 25 12.202 -2.178 1.331 192 HD1 PHE 25 HD1 PHE 25 14.560 -1.349 1.313 193 HD2 PHE 25 HD2 PHE 25 12.469 -2.358 -2.301 194 HE1 PHE 25 HE2 PHE 25 16.246 -0.104 -0.012 195 HE2 PHE 25 HE1 PHE 25 14.153 -1.111 -3.624 196 HZ PHE 25 HZ PHE 25 16.044 0.016 -2.480 197 H ALA 26 H ALA 26 12.233 -3.876 3.143 198 HA ALA 26 HA ALA 26 14.829 -3.282 4.287 199 HB1 ALA 26 HB1 ALA 26 12.967 -2.482 5.473 200 HB2 ALA 26 HB2 ALA 26 13.405 -3.907 6.413 201 HB3 ALA 26 HB3 ALA 26 12.069 -3.985 5.264 202 H HIS 27 H HIS 27 12.877 -6.241 3.951 203 HA HIS 27 HA HIS 27 14.614 -7.925 5.561 204 HB2 HIS 27 HB2 HIS 27 12.260 -8.175 3.753 205 HB3 HIS 27 HB3 HIS 27 13.231 -9.630 3.967 206 HD1 HIS 27 HD1 HIS 27 13.645 -10.360 6.546 207 HD2 HIS 27 HD2 HIS 27 10.575 -7.617 5.895 208 HE1 HIS 27 HE1 HIS 27 12.219 -10.371 8.639 209 H LEU 28 H LEU 28 14.432 -7.119 2.101 210 HA LEU 28 HA LEU 28 16.402 -9.137 1.304 211 HB2 LEU 28 HB2 LEU 28 14.977 -6.808 0.007 212 HB3 LEU 28 HB3 LEU 28 16.226 -7.704 -0.855 213 HG LEU 28 HG LEU 28 14.025 -9.229 0.498 214 HD11 LEU 28 HD11 LEU 28 13.458 -8.693 -2.302 215 HD12 LEU 28 HD12 LEU 28 13.477 -7.202 -1.362 216 HD13 LEU 28 HD13 LEU 28 12.404 -8.522 -0.899 217 HD21 LEU 28 HD21 LEU 28 14.482 -10.816 -1.288 218 HD22 LEU 28 HD22 LEU 28 16.016 -10.337 -0.562 219 HD23 LEU 28 HD23 LEU 28 15.520 -9.650 -2.109 220 H LEU 29 H LEU 29 16.405 -5.568 1.665 221 HA LEU 29 HA LEU 29 18.173 -4.047 1.963 222 HB2 LEU 29 HB2 LEU 29 18.555 -5.611 3.865 223 HB3 LEU 29 HB3 LEU 29 19.609 -6.578 2.834 224 HG LEU 29 HG LEU 29 20.424 -3.827 2.666 225 HD11 LEU 29 HD11 LEU 29 21.032 -3.390 4.977 226 HD12 LEU 29 HD12 LEU 29 20.367 -4.943 5.485 227 HD13 LEU 29 HD13 LEU 29 19.293 -3.671 4.901 228 HD21 LEU 29 HD21 LEU 29 21.977 -5.566 2.197 229 HD22 LEU 29 HD22 LEU 29 21.613 -6.406 3.704 230 HD23 LEU 29 HD23 LEU 29 22.516 -4.892 3.735 231 HA PRO 30 HA PRO 30 19.963 -5.107 -2.111 232 HB2 PRO 30 HB2 PRO 30 19.881 -2.536 -3.057 233 HB3 PRO 30 HB3 PRO 30 18.493 -3.640 -3.134 234 HG2 PRO 30 HG2 PRO 30 19.060 -1.446 -1.201 235 HG3 PRO 30 HG3 PRO 30 17.528 -1.924 -1.947 236 HD2 PRO 30 HD2 PRO 30 18.211 -2.587 0.601 237 HD3 PRO 30 HD3 PRO 30 17.144 -3.584 -0.412 238 H ARG 31 H ARG 31 22.072 -4.476 -3.001 239 HA ARG 31 HA ARG 31 23.765 -2.816 -1.165 240 HB2 ARG 31 HB2 ARG 31 24.114 -5.620 -2.209 241 HB3 ARG 31 HB3 ARG 31 25.531 -4.655 -1.796 242 HG2 ARG 31 HG2 ARG 31 23.324 -4.701 0.204 243 HG3 ARG 31 HG3 ARG 31 24.249 -6.189 0.014 244 HD2 ARG 31 HD2 ARG 31 25.537 -5.076 1.620 245 HD3 ARG 31 HD3 ARG 31 26.324 -4.517 0.132 246 HE ARG 31 HE ARG 31 25.199 -2.400 0.363 247 HH11 ARG 31 HH11 ARG 31 25.976 -2.669 3.218 248 HH12 ARG 31 HH12 ARG 31 24.477 -2.424 4.047 249 HH21 ARG 31 HH21 ARG 31 22.524 -2.969 1.218 250 HH22 ARG 31 HH22 ARG 31 22.512 -2.593 2.911 Start of MODEL 8 1 HA ASP 1 HA ASP 1 -0.557 13.434 5.398 2 HB2 ASP 1 HB2 ASP 1 -0.126 10.935 3.728 3 HB3 ASP 1 HB3 ASP 1 -1.165 12.269 3.229 4 H THR 2 H THR 2 -2.663 13.537 6.097 5 HA THR 2 HA THR 2 -3.980 11.043 7.052 6 HB THR 2 HB THR 2 -4.940 13.904 7.312 7 HG1 THR 2 HG1 THR 2 -3.658 14.102 9.088 8 HG21 THR 2 HG21 THR 2 -6.553 12.266 8.020 9 HG22 THR 2 HG22 THR 2 -5.834 12.950 9.478 10 HG23 THR 2 HG23 THR 2 -5.326 11.360 8.907 11 H GLU 3 H GLU 3 -3.938 10.893 4.372 12 HA GLU 3 HA GLU 3 -6.714 11.661 3.539 13 HB2 GLU 3 HB2 GLU 3 -5.647 12.025 1.246 14 HB3 GLU 3 HB3 GLU 3 -5.215 13.207 2.479 15 HG2 GLU 3 HG2 GLU 3 -3.033 12.569 2.494 16 HG3 GLU 3 HG3 GLU 3 -3.439 10.855 2.409 17 H ILE 4 H ILE 4 -5.902 9.104 4.614 18 HA ILE 4 HA ILE 4 -6.177 7.374 2.175 19 HB ILE 4 HB ILE 4 -4.770 6.726 4.793 20 HG12 ILE 4 HG12 ILE 4 -2.924 6.821 2.656 21 HG13 ILE 4 HG13 ILE 4 -3.888 8.290 2.516 22 HG21 ILE 4 HG21 ILE 4 -5.485 4.714 3.699 23 HG22 ILE 4 HG22 ILE 4 -3.775 4.900 3.317 24 HG23 ILE 4 HG23 ILE 4 -4.997 5.323 2.119 25 HD11 ILE 4 HD11 ILE 4 -2.087 8.838 3.986 26 HD12 ILE 4 HD12 ILE 4 -2.288 7.344 4.900 27 HD13 ILE 4 HD13 ILE 4 -3.499 8.620 5.020 28 H ILE 5 H ILE 5 -7.432 5.391 2.573 29 HA ILE 5 HA ILE 5 -9.305 4.220 3.391 30 HB ILE 5 HB ILE 5 -8.495 5.546 6.001 31 HG12 ILE 5 HG12 ILE 5 -6.547 4.440 5.031 32 HG13 ILE 5 HG13 ILE 5 -7.156 3.457 6.359 33 HG21 ILE 5 HG21 ILE 5 -10.628 4.474 6.229 34 HG22 ILE 5 HG22 ILE 5 -9.437 3.377 6.930 35 HG23 ILE 5 HG23 ILE 5 -10.084 3.062 5.320 36 HD11 ILE 5 HD11 ILE 5 -6.719 1.946 4.551 37 HD12 ILE 5 HD12 ILE 5 -7.540 2.990 3.393 38 HD13 ILE 5 HD13 ILE 5 -8.471 2.135 4.623 39 H GLY 6 H GLY 6 -10.708 5.652 2.118 40 HA2 GLY 6 HA2 GLY 6 -12.128 7.725 3.740 41 HA3 GLY 6 HA3 GLY 6 -12.042 7.730 1.979 42 H GLY 7 H GLY 7 -13.483 6.422 0.801 43 HA2 GLY 7 HA2 GLY 7 -15.679 5.213 2.422 44 HA3 GLY 7 HA3 GLY 7 -15.849 5.784 0.762 45 H LEU 8 H LEU 8 -15.189 4.432 -0.946 46 HA LEU 8 HA LEU 8 -13.877 1.851 -0.354 47 HB2 LEU 8 HB2 LEU 8 -16.652 2.109 -0.215 48 HB3 LEU 8 HB3 LEU 8 -16.381 1.453 -1.829 49 HG LEU 8 HG LEU 8 -14.920 0.258 0.509 50 HD11 LEU 8 HD11 LEU 8 -17.775 -0.348 -0.318 51 HD12 LEU 8 HD12 LEU 8 -17.253 0.304 1.235 52 HD13 LEU 8 HD13 LEU 8 -16.814 -1.341 0.777 53 HD21 LEU 8 HD21 LEU 8 -14.372 -0.395 -1.828 54 HD22 LEU 8 HD22 LEU 8 -16.050 -0.884 -2.069 55 HD23 LEU 8 HD23 LEU 8 -15.039 -1.747 -0.911 56 H THR 9 H THR 9 -12.430 3.246 -1.841 57 HA THR 9 HA THR 9 -13.197 2.777 -4.707 58 HB THR 9 HB THR 9 -13.217 5.165 -3.770 59 HG1 THR 9 HG1 THR 9 -13.090 5.322 -5.857 60 HG21 THR 9 HG21 THR 9 -10.215 4.915 -3.999 61 HG22 THR 9 HG22 THR 9 -11.057 4.764 -2.458 62 HG23 THR 9 HG23 THR 9 -11.147 6.272 -3.368 63 H ILE 10 H ILE 10 -11.396 1.303 -2.580 64 HA ILE 10 HA ILE 10 -9.200 0.754 -4.492 65 HB ILE 10 HB ILE 10 -8.451 2.633 -3.060 66 HG12 ILE 10 HG12 ILE 10 -7.029 0.092 -2.228 67 HG13 ILE 10 HG13 ILE 10 -6.889 0.777 -3.848 68 HG21 ILE 10 HG21 ILE 10 -9.886 1.976 -1.084 69 HG22 ILE 10 HG22 ILE 10 -8.222 2.390 -0.669 70 HG23 ILE 10 HG23 ILE 10 -8.718 0.698 -0.741 71 HD11 ILE 10 HD11 ILE 10 -6.031 2.876 -2.916 72 HD12 ILE 10 HD12 ILE 10 -5.038 1.523 -2.372 73 HD13 ILE 10 HD13 ILE 10 -6.220 2.246 -1.280 74 HA PRO 11 HA PRO 11 -10.085 -3.258 -2.843 75 HB2 PRO 11 HB2 PRO 11 -8.100 -4.631 -4.127 76 HB3 PRO 11 HB3 PRO 11 -9.571 -4.071 -4.943 77 HG2 PRO 11 HG2 PRO 11 -6.832 -2.944 -5.005 78 HG3 PRO 11 HG3 PRO 11 -8.067 -2.987 -6.270 79 HD2 PRO 11 HD2 PRO 11 -7.449 -0.780 -4.721 80 HD3 PRO 11 HD3 PRO 11 -8.968 -1.009 -5.612 81 HA PRO 12 HA PRO 12 -7.285 -3.642 0.554 82 HB2 PRO 12 HB2 PRO 12 -7.733 -6.252 1.252 83 HB3 PRO 12 HB3 PRO 12 -8.888 -4.947 1.584 84 HG2 PRO 12 HG2 PRO 12 -8.902 -6.976 -0.596 85 HG3 PRO 12 HG3 PRO 12 -10.249 -6.330 0.355 86 HD2 PRO 12 HD2 PRO 12 -9.691 -5.519 -2.181 87 HD3 PRO 12 HD3 PRO 12 -10.471 -4.476 -0.972 88 H VAL 13 H VAL 13 -7.066 -5.850 -2.178 89 HA VAL 13 HA VAL 13 -4.709 -7.296 -1.486 90 HB VAL 13 HB VAL 13 -4.545 -7.651 -3.935 91 HG11 VAL 13 HG11 VAL 13 -6.491 -8.901 -4.088 92 HG12 VAL 13 HG12 VAL 13 -7.487 -7.637 -3.366 93 HG13 VAL 13 HG13 VAL 13 -6.431 -8.617 -2.349 94 HG21 VAL 13 HG21 VAL 13 -6.530 -6.478 -5.229 95 HG22 VAL 13 HG22 VAL 13 -5.004 -5.626 -4.997 96 HG23 VAL 13 HG23 VAL 13 -6.380 -5.270 -3.953 97 H VAL 14 H VAL 14 -5.085 -4.054 -2.943 98 HA VAL 14 HA VAL 14 -2.308 -3.677 -3.607 99 HB VAL 14 HB VAL 14 -4.433 -2.398 -4.345 100 HG11 VAL 14 HG11 VAL 14 -5.216 -0.608 -3.031 101 HG12 VAL 14 HG12 VAL 14 -3.795 -0.634 -1.986 102 HG13 VAL 14 HG13 VAL 14 -5.005 -1.909 -1.861 103 HG21 VAL 14 HG21 VAL 14 -2.084 -1.774 -4.929 104 HG22 VAL 14 HG22 VAL 14 -2.024 -0.775 -3.476 105 HG23 VAL 14 HG23 VAL 14 -3.146 -0.374 -4.777 106 H ALA 15 H ALA 15 -4.163 -3.172 -0.622 107 HA ALA 15 HA ALA 15 -2.090 -1.718 0.800 108 HB1 ALA 15 HB1 ALA 15 -4.395 -3.424 1.810 109 HB2 ALA 15 HB2 ALA 15 -4.535 -1.730 1.338 110 HB3 ALA 15 HB3 ALA 15 -3.544 -2.179 2.726 111 H LEU 16 H LEU 16 -3.036 -5.143 0.539 112 HA LEU 16 HA LEU 16 -1.242 -6.223 2.495 113 HB2 LEU 16 HB2 LEU 16 -3.243 -7.270 1.274 114 HB3 LEU 16 HB3 LEU 16 -2.153 -7.522 -0.089 115 HG LEU 16 HG LEU 16 -0.996 -8.417 2.447 116 HD11 LEU 16 HD11 LEU 16 -3.437 -8.872 2.856 117 HD12 LEU 16 HD12 LEU 16 -2.447 -10.329 2.795 118 HD13 LEU 16 HD13 LEU 16 -3.442 -9.880 1.409 119 HD21 LEU 16 HD21 LEU 16 -0.266 -8.893 0.036 120 HD22 LEU 16 HD22 LEU 16 -1.638 -9.998 -0.054 121 HD23 LEU 16 HD23 LEU 16 -0.345 -10.289 1.111 122 H VAL 17 H VAL 17 -0.854 -5.534 -0.985 123 HA VAL 17 HA VAL 17 1.775 -6.690 -1.273 124 HB VAL 17 HB VAL 17 0.263 -4.522 -2.774 125 HG11 VAL 17 HG11 VAL 17 2.483 -4.199 -3.472 126 HG12 VAL 17 HG12 VAL 17 1.872 -5.352 -4.657 127 HG13 VAL 17 HG13 VAL 17 2.881 -5.911 -3.322 128 HG21 VAL 17 HG21 VAL 17 0.691 -7.193 -3.964 129 HG22 VAL 17 HG22 VAL 17 -0.767 -6.201 -3.920 130 HG23 VAL 17 HG23 VAL 17 -0.332 -7.191 -2.527 131 H VAL 18 H VAL 18 0.615 -3.416 -0.451 132 HA VAL 18 HA VAL 18 3.145 -2.073 -0.488 133 HB VAL 18 HB VAL 18 0.551 -1.663 1.038 134 HG11 VAL 18 HG11 VAL 18 2.102 -0.472 2.361 135 HG12 VAL 18 HG12 VAL 18 1.500 0.745 1.236 136 HG13 VAL 18 HG13 VAL 18 3.073 -0.006 0.963 137 HG21 VAL 18 HG21 VAL 18 1.052 -1.402 -1.624 138 HG22 VAL 18 HG22 VAL 18 1.496 0.209 -1.063 139 HG23 VAL 18 HG23 VAL 18 -0.125 -0.415 -0.758 140 H MET 19 H MET 19 1.470 -3.935 2.051 141 HA MET 19 HA MET 19 3.295 -3.349 4.201 142 HB2 MET 19 HB2 MET 19 0.899 -4.463 4.061 143 HB3 MET 19 HB3 MET 19 1.824 -5.959 3.914 144 HG2 MET 19 HG2 MET 19 3.092 -5.268 5.995 145 HG3 MET 19 HG3 MET 19 1.933 -3.950 6.179 146 HE1 MET 19 HE1 MET 19 0.153 -5.707 8.818 147 HE2 MET 19 HE2 MET 19 -0.150 -4.309 7.789 148 HE3 MET 19 HE3 MET 19 1.478 -4.617 8.388 149 H SER 20 H SER 20 3.091 -6.154 1.960 150 HA SER 20 HA SER 20 5.464 -7.480 2.915 151 HB2 SER 20 HB2 SER 20 3.506 -8.322 1.447 152 HB3 SER 20 HB3 SER 20 4.350 -7.565 0.099 153 HG SER 20 HG SER 20 5.272 -9.628 1.821 154 H ARG 21 H ARG 21 4.878 -5.118 0.313 155 HA ARG 21 HA ARG 21 7.452 -5.053 -0.886 156 HB2 ARG 21 HB2 ARG 21 5.535 -3.967 -1.866 157 HB3 ARG 21 HB3 ARG 21 5.282 -2.986 -0.425 158 HG2 ARG 21 HG2 ARG 21 7.755 -2.162 -0.968 159 HG3 ARG 21 HG3 ARG 21 7.316 -2.674 -2.598 160 HD2 ARG 21 HD2 ARG 21 6.686 -0.349 -2.419 161 HD3 ARG 21 HD3 ARG 21 5.179 -1.279 -2.312 162 HE ARG 21 HE ARG 21 5.521 -1.126 0.241 163 HH11 ARG 21 HH11 ARG 21 8.116 0.345 0.147 164 HH12 ARG 21 HH12 ARG 21 7.619 1.991 0.346 165 HH21 ARG 21 HH21 ARG 21 4.290 1.356 -0.432 166 HH22 ARG 21 HH22 ARG 21 5.445 2.565 0.019 167 H PHE 22 H PHE 22 6.174 -3.257 1.937 168 HA PHE 22 HA PHE 22 8.479 -1.637 2.445 169 HB2 PHE 22 HB2 PHE 22 6.089 -1.532 3.385 170 HB3 PHE 22 HB3 PHE 22 6.582 -2.805 4.499 171 HD1 PHE 22 HD1 PHE 22 7.243 0.688 3.432 172 HD2 PHE 22 HD2 PHE 22 8.025 -2.354 6.362 173 HE1 PHE 22 HE1 PHE 22 8.290 2.382 4.909 174 HE2 PHE 22 HE2 PHE 22 9.072 -0.659 7.840 175 HZ PHE 22 HZ PHE 22 9.204 1.709 7.114 176 H GLY 23 H GLY 23 7.538 -4.849 3.739 177 HA2 GLY 23 HA2 GLY 23 9.885 -5.198 5.367 178 HA3 GLY 23 HA3 GLY 23 8.820 -6.497 4.820 179 H PHE 24 H PHE 24 9.068 -6.165 2.032 180 HA PHE 24 HA PHE 24 11.484 -7.602 1.455 181 HB2 PHE 24 HB2 PHE 24 9.207 -6.358 0.012 182 HB3 PHE 24 HB3 PHE 24 10.674 -6.569 -0.943 183 HD1 PHE 24 HD1 PHE 24 11.881 -8.950 -0.520 184 HD2 PHE 24 HD2 PHE 24 7.702 -8.131 0.039 185 HE1 PHE 24 HE1 PHE 24 11.375 -11.365 -0.769 186 HE2 PHE 24 HE2 PHE 24 7.195 -10.545 -0.208 187 HZ PHE 24 HZ PHE 24 9.031 -12.162 -0.611 188 H PHE 25 H PHE 25 10.594 -4.160 1.062 189 HA PHE 25 HA PHE 25 12.953 -3.258 -0.263 190 HB2 PHE 25 HB2 PHE 25 10.738 -2.133 1.373 191 HB3 PHE 25 HB3 PHE 25 12.182 -1.130 1.253 192 HD1 PHE 25 HD1 PHE 25 10.701 -3.490 -1.254 193 HD2 PHE 25 HD2 PHE 25 11.629 0.587 -0.261 194 HE1 PHE 25 HE1 PHE 25 10.026 -2.782 -3.531 195 HE2 PHE 25 HE2 PHE 25 10.955 1.293 -2.539 196 HZ PHE 25 HZ PHE 25 10.154 -0.389 -4.174 197 H ALA 26 H ALA 26 12.221 -3.540 3.232 198 HA ALA 26 HA ALA 26 14.687 -2.451 4.213 199 HB1 ALA 26 HB1 ALA 26 12.717 -2.742 5.601 200 HB2 ALA 26 HB2 ALA 26 14.002 -3.748 6.271 201 HB3 ALA 26 HB3 ALA 26 12.717 -4.481 5.311 202 H HIS 27 H HIS 27 13.911 -5.568 2.820 203 HA HIS 27 HA HIS 27 16.433 -6.797 3.811 204 HB2 HIS 27 HB2 HIS 27 13.892 -7.708 2.476 205 HB3 HIS 27 HB3 HIS 27 15.313 -8.750 2.449 206 HD1 HIS 27 HD1 HIS 27 15.216 -10.392 4.310 207 HD2 HIS 27 HD2 HIS 27 13.618 -6.713 5.448 208 HE1 HIS 27 HE1 HIS 27 14.523 -10.630 6.735 209 H LEU 28 H LEU 28 15.105 -5.292 0.941 210 HA LEU 28 HA LEU 28 17.341 -6.381 -0.728 211 HB2 LEU 28 HB2 LEU 28 14.647 -5.127 -1.320 212 HB3 LEU 28 HB3 LEU 28 15.837 -5.455 -2.579 213 HG LEU 28 HG LEU 28 15.057 -7.644 -0.671 214 HD11 LEU 28 HD11 LEU 28 13.252 -8.307 -2.203 215 HD12 LEU 28 HD12 LEU 28 13.550 -6.879 -3.193 216 HD13 LEU 28 HD13 LEU 28 12.938 -6.700 -1.548 217 HD21 LEU 28 HD21 LEU 28 15.621 -9.040 -2.626 218 HD22 LEU 28 HD22 LEU 28 16.954 -7.954 -2.235 219 HD23 LEU 28 HD23 LEU 28 15.889 -7.589 -3.592 220 H LEU 29 H LEU 29 17.759 -4.184 1.235 221 HA LEU 29 HA LEU 29 18.739 -2.125 -0.689 222 HB2 LEU 29 HB2 LEU 29 16.585 -1.888 1.278 223 HB3 LEU 29 HB3 LEU 29 17.838 -0.672 1.512 224 HG LEU 29 HG LEU 29 17.449 -0.786 -1.269 225 HD11 LEU 29 HD11 LEU 29 14.788 -0.650 0.181 226 HD12 LEU 29 HD12 LEU 29 15.330 -2.023 -0.784 227 HD13 LEU 29 HD13 LEU 29 15.051 -0.461 -1.552 228 HD21 LEU 29 HD21 LEU 29 17.911 1.172 0.305 229 HD22 LEU 29 HD22 LEU 29 16.178 1.198 0.634 230 HD23 LEU 29 HD23 LEU 29 16.771 1.495 -1.001 231 HA PRO 30 HA PRO 30 22.241 -2.522 2.000 232 HB2 PRO 30 HB2 PRO 30 23.734 -0.479 0.971 233 HB3 PRO 30 HB3 PRO 30 23.522 -2.029 0.135 234 HG2 PRO 30 HG2 PRO 30 22.237 0.590 -0.382 235 HG3 PRO 30 HG3 PRO 30 22.700 -0.687 -1.515 236 HD2 PRO 30 HD2 PRO 30 20.126 -0.210 -0.610 237 HD3 PRO 30 HD3 PRO 30 20.697 -1.733 -1.326 238 H ARG 31 H ARG 31 23.588 -0.993 3.451 239 HA ARG 31 HA ARG 31 23.394 0.266 5.460 240 HB2 ARG 31 HB2 ARG 31 23.392 2.700 4.767 241 HB3 ARG 31 HB3 ARG 31 24.525 1.685 3.880 242 HG2 ARG 31 HG2 ARG 31 22.837 1.486 2.043 243 HG3 ARG 31 HG3 ARG 31 21.800 2.613 2.917 244 HD2 ARG 31 HD2 ARG 31 24.350 3.840 2.824 245 HD3 ARG 31 HD3 ARG 31 24.050 3.204 1.196 246 HE ARG 31 HE ARG 31 21.698 4.317 1.522 247 HH11 ARG 31 HH11 ARG 31 22.304 5.631 4.105 248 HH12 ARG 31 HH12 ARG 31 22.866 7.197 3.622 249 HH21 ARG 31 HH21 ARG 31 23.459 6.252 0.327 250 HH22 ARG 31 HH22 ARG 31 23.523 7.549 1.473 Start of MODEL 9 1 HA ASP 1 HA ASP 1 -28.311 -6.233 -13.538 2 HB2 ASP 1 HB2 ASP 1 -27.946 -8.193 -15.287 3 HB3 ASP 1 HB3 ASP 1 -26.939 -8.863 -14.002 4 H THR 2 H THR 2 -27.967 -6.238 -11.321 5 HA THR 2 HA THR 2 -25.353 -7.192 -10.247 6 HB THR 2 HB THR 2 -25.312 -4.965 -8.936 7 HG1 THR 2 HG1 THR 2 -27.358 -4.235 -9.398 8 HG21 THR 2 HG21 THR 2 -23.897 -5.638 -10.981 9 HG22 THR 2 HG22 THR 2 -24.024 -3.916 -10.619 10 HG23 THR 2 HG23 THR 2 -24.992 -4.619 -11.915 11 H GLU 3 H GLU 3 -26.299 -8.801 -8.958 12 HA GLU 3 HA GLU 3 -28.417 -7.918 -7.022 13 HB2 GLU 3 HB2 GLU 3 -28.831 -9.726 -8.836 14 HB3 GLU 3 HB3 GLU 3 -27.789 -10.757 -7.853 15 HG2 GLU 3 HG2 GLU 3 -30.033 -11.199 -7.136 16 HG3 GLU 3 HG3 GLU 3 -29.301 -10.202 -5.880 17 H ILE 4 H ILE 4 -27.383 -7.466 -5.115 18 HA ILE 4 HA ILE 4 -26.051 -7.734 -3.193 19 HB ILE 4 HB ILE 4 -26.183 -10.630 -4.097 20 HG12 ILE 4 HG12 ILE 4 -27.970 -9.263 -2.077 21 HG13 ILE 4 HG13 ILE 4 -28.383 -9.299 -3.791 22 HG21 ILE 4 HG21 ILE 4 -25.335 -9.257 -1.566 23 HG22 ILE 4 HG22 ILE 4 -24.610 -10.646 -2.379 24 HG23 ILE 4 HG23 ILE 4 -26.107 -10.840 -1.466 25 HD11 ILE 4 HD11 ILE 4 -29.450 -11.187 -2.674 26 HD12 ILE 4 HD12 ILE 4 -27.902 -11.704 -2.008 27 HD13 ILE 4 HD13 ILE 4 -28.186 -11.788 -3.747 28 H ILE 5 H ILE 5 -24.233 -6.590 -4.099 29 HA ILE 5 HA ILE 5 -22.037 -8.307 -5.199 30 HB ILE 5 HB ILE 5 -23.025 -6.361 -6.505 31 HG12 ILE 5 HG12 ILE 5 -20.228 -5.536 -6.106 32 HG13 ILE 5 HG13 ILE 5 -20.426 -7.275 -6.318 33 HG21 ILE 5 HG21 ILE 5 -23.234 -4.900 -4.431 34 HG22 ILE 5 HG22 ILE 5 -22.523 -4.113 -5.839 35 HG23 ILE 5 HG23 ILE 5 -21.489 -4.665 -4.522 36 HD11 ILE 5 HD11 ILE 5 -21.622 -6.945 -8.402 37 HD12 ILE 5 HD12 ILE 5 -20.113 -6.035 -8.479 38 HD13 ILE 5 HD13 ILE 5 -21.633 -5.198 -8.164 39 H GLY 6 H GLY 6 -22.875 -7.615 -2.246 40 HA2 GLY 6 HA2 GLY 6 -21.269 -7.853 -0.411 41 HA3 GLY 6 HA3 GLY 6 -20.108 -6.929 -1.364 42 H GLY 7 H GLY 7 -19.952 -4.775 -0.914 43 HA2 GLY 7 HA2 GLY 7 -21.723 -2.789 -0.581 44 HA3 GLY 7 HA3 GLY 7 -21.906 -3.598 0.975 45 H LEU 8 H LEU 8 -19.666 -4.072 2.069 46 HA LEU 8 HA LEU 8 -17.614 -2.010 1.487 47 HB2 LEU 8 HB2 LEU 8 -19.680 -1.339 3.091 48 HB3 LEU 8 HB3 LEU 8 -18.629 -2.094 4.289 49 HG LEU 8 HG LEU 8 -16.915 -0.496 2.748 50 HD11 LEU 8 HD11 LEU 8 -18.910 0.634 1.813 51 HD12 LEU 8 HD12 LEU 8 -17.970 1.725 2.830 52 HD13 LEU 8 HD13 LEU 8 -19.458 1.006 3.448 53 HD21 LEU 8 HD21 LEU 8 -18.236 0.165 5.399 54 HD22 LEU 8 HD22 LEU 8 -16.689 0.779 4.820 55 HD23 LEU 8 HD23 LEU 8 -16.868 -0.932 5.211 56 H THR 9 H THR 9 -17.695 -5.006 1.554 57 HA THR 9 HA THR 9 -15.711 -5.473 3.763 58 HB THR 9 HB THR 9 -16.546 -7.852 3.612 59 HG1 THR 9 HG1 THR 9 -17.427 -7.902 1.599 60 HG21 THR 9 HG21 THR 9 -18.768 -5.865 4.133 61 HG22 THR 9 HG22 THR 9 -17.425 -6.129 5.246 62 HG23 THR 9 HG23 THR 9 -18.542 -7.445 4.885 63 H ILE 10 H ILE 10 -14.524 -4.461 1.612 64 HA ILE 10 HA ILE 10 -13.834 -6.556 -0.353 65 HB ILE 10 HB ILE 10 -12.478 -4.711 -1.342 66 HG12 ILE 10 HG12 ILE 10 -13.598 -2.813 0.696 67 HG13 ILE 10 HG13 ILE 10 -12.140 -3.718 1.103 68 HG21 ILE 10 HG21 ILE 10 -14.362 -3.259 -1.917 69 HG22 ILE 10 HG22 ILE 10 -15.269 -3.854 -0.526 70 HG23 ILE 10 HG23 ILE 10 -14.892 -4.940 -1.862 71 HD11 ILE 10 HD11 ILE 10 -11.172 -2.928 -1.116 72 HD12 ILE 10 HD12 ILE 10 -11.400 -1.670 0.100 73 HD13 ILE 10 HD13 ILE 10 -12.550 -1.831 -1.228 74 HA PRO 11 HA PRO 11 -10.258 -7.916 1.836 75 HB2 PRO 11 HB2 PRO 11 -8.835 -8.978 -0.246 76 HB3 PRO 11 HB3 PRO 11 -10.271 -9.762 0.439 77 HG2 PRO 11 HG2 PRO 11 -9.998 -8.155 -2.045 78 HG3 PRO 11 HG3 PRO 11 -10.992 -9.584 -1.727 79 HD2 PRO 11 HD2 PRO 11 -11.955 -7.018 -1.775 80 HD3 PRO 11 HD3 PRO 11 -12.713 -8.352 -0.878 81 HA PRO 12 HA PRO 12 -7.390 -4.583 1.179 82 HB2 PRO 12 HB2 PRO 12 -5.511 -5.326 3.016 83 HB3 PRO 12 HB3 PRO 12 -7.076 -4.624 3.459 84 HG2 PRO 12 HG2 PRO 12 -6.161 -7.429 3.605 85 HG3 PRO 12 HG3 PRO 12 -7.312 -6.561 4.627 86 HD2 PRO 12 HD2 PRO 12 -7.958 -8.353 2.590 87 HD3 PRO 12 HD3 PRO 12 -9.068 -7.196 3.353 88 H VAL 13 H VAL 13 -7.085 -5.996 -0.987 89 HA VAL 13 HA VAL 13 -4.613 -7.553 -1.150 90 HB VAL 13 HB VAL 13 -5.162 -7.617 -3.556 91 HG11 VAL 13 HG11 VAL 13 -6.427 -8.978 -1.769 92 HG12 VAL 13 HG12 VAL 13 -7.170 -8.852 -3.363 93 HG13 VAL 13 HG13 VAL 13 -7.759 -7.851 -2.036 94 HG21 VAL 13 HG21 VAL 13 -5.925 -5.412 -4.041 95 HG22 VAL 13 HG22 VAL 13 -7.154 -5.473 -2.779 96 HG23 VAL 13 HG23 VAL 13 -7.343 -6.441 -4.238 97 H VAL 14 H VAL 14 -5.586 -4.242 -2.096 98 HA VAL 14 HA VAL 14 -3.076 -3.528 -3.326 99 HB VAL 14 HB VAL 14 -3.955 -1.209 -3.048 100 HG11 VAL 14 HG11 VAL 14 -5.797 -1.471 -4.510 101 HG12 VAL 14 HG12 VAL 14 -6.243 -3.026 -3.809 102 HG13 VAL 14 HG13 VAL 14 -4.797 -2.892 -4.808 103 HG21 VAL 14 HG21 VAL 14 -6.190 -0.926 -1.966 104 HG22 VAL 14 HG22 VAL 14 -4.945 -1.415 -0.818 105 HG23 VAL 14 HG23 VAL 14 -6.110 -2.597 -1.413 106 H ALA 15 H ALA 15 -4.275 -3.405 0.008 107 HA ALA 15 HA ALA 15 -2.128 -1.835 1.124 108 HB1 ALA 15 HB1 ALA 15 -4.418 -2.360 2.095 109 HB2 ALA 15 HB2 ALA 15 -3.079 -2.578 3.222 110 HB3 ALA 15 HB3 ALA 15 -3.817 -3.981 2.448 111 H LEU 16 H LEU 16 -2.621 -5.332 0.646 112 HA LEU 16 HA LEU 16 -0.287 -6.239 2.062 113 HB2 LEU 16 HB2 LEU 16 -2.371 -7.507 1.234 114 HB3 LEU 16 HB3 LEU 16 -1.590 -7.536 -0.347 115 HG LEU 16 HG LEU 16 0.032 -8.413 2.004 116 HD11 LEU 16 HD11 LEU 16 -0.906 -10.683 1.884 117 HD12 LEU 16 HD12 LEU 16 -2.092 -10.142 0.695 118 HD13 LEU 16 HD13 LEU 16 -2.155 -9.528 2.349 119 HD21 LEU 16 HD21 LEU 16 1.239 -8.560 0.017 120 HD22 LEU 16 HD22 LEU 16 -0.186 -8.967 -0.939 121 HD23 LEU 16 HD23 LEU 16 0.553 -10.183 0.102 122 H VAL 17 H VAL 17 -0.844 -5.380 -1.367 123 HA VAL 17 HA VAL 17 1.761 -6.099 -2.344 124 HB VAL 17 HB VAL 17 -0.359 -4.111 -3.223 125 HG11 VAL 17 HG11 VAL 17 0.855 -4.302 -5.472 126 HG12 VAL 17 HG12 VAL 17 2.219 -4.954 -4.563 127 HG13 VAL 17 HG13 VAL 17 1.648 -3.316 -4.243 128 HG21 VAL 17 HG21 VAL 17 0.435 -6.860 -4.241 129 HG22 VAL 17 HG22 VAL 17 -0.863 -5.858 -4.891 130 HG23 VAL 17 HG23 VAL 17 -0.985 -6.508 -3.256 131 H VAL 18 H VAL 18 0.459 -3.048 -1.011 132 HA VAL 18 HA VAL 18 2.825 -1.458 -1.442 133 HB VAL 18 HB VAL 18 0.449 -1.322 0.440 134 HG11 VAL 18 HG11 VAL 18 1.235 1.149 0.648 135 HG12 VAL 18 HG12 VAL 18 2.814 0.531 0.159 136 HG13 VAL 18 HG13 VAL 18 2.050 -0.066 1.633 137 HG21 VAL 18 HG21 VAL 18 -0.291 0.438 -1.081 138 HG22 VAL 18 HG22 VAL 18 0.092 -1.003 -2.020 139 HG23 VAL 18 HG23 VAL 18 1.226 0.346 -1.976 140 H MET 19 H MET 19 1.606 -3.203 1.447 141 HA MET 19 HA MET 19 3.847 -2.633 3.151 142 HB2 MET 19 HB2 MET 19 1.467 -3.553 3.639 143 HB3 MET 19 HB3 MET 19 2.148 -5.131 3.242 144 HG2 MET 19 HG2 MET 19 3.018 -5.270 5.313 145 HG3 MET 19 HG3 MET 19 3.976 -3.821 5.002 146 HE1 MET 19 HE1 MET 19 0.280 -4.356 7.535 147 HE2 MET 19 HE2 MET 19 1.568 -5.479 7.105 148 HE3 MET 19 HE3 MET 19 0.339 -5.061 5.914 149 H SER 20 H SER 20 3.210 -5.259 0.824 150 HA SER 20 HA SER 20 5.351 -7.011 1.482 151 HB2 SER 20 HB2 SER 20 3.426 -7.362 -0.126 152 HB3 SER 20 HB3 SER 20 4.272 -6.331 -1.275 153 HG SER 20 HG SER 20 4.912 -8.370 -1.753 154 H ARG 21 H ARG 21 5.281 -4.171 -0.700 155 HA ARG 21 HA ARG 21 7.992 -4.361 -1.622 156 HB2 ARG 21 HB2 ARG 21 5.723 -2.682 -1.907 157 HB3 ARG 21 HB3 ARG 21 7.040 -1.638 -1.373 158 HG2 ARG 21 HG2 ARG 21 8.317 -3.187 -3.234 159 HG3 ARG 21 HG3 ARG 21 6.699 -3.081 -3.929 160 HD2 ARG 21 HD2 ARG 21 8.184 -0.628 -2.938 161 HD3 ARG 21 HD3 ARG 21 8.308 -1.206 -4.612 162 HE ARG 21 HE ARG 21 5.762 -0.329 -3.306 163 HH11 ARG 21 HH11 ARG 21 5.288 -2.300 -5.476 164 HH12 ARG 21 HH12 ARG 21 5.147 -1.294 -6.878 165 HH21 ARG 21 HH21 ARG 21 6.609 1.472 -5.365 166 HH22 ARG 21 HH22 ARG 21 5.898 0.849 -6.816 167 H PHE 22 H PHE 22 6.524 -2.610 1.133 168 HA PHE 22 HA PHE 22 8.927 -1.346 2.076 169 HB2 PHE 22 HB2 PHE 22 6.226 -2.083 3.165 170 HB3 PHE 22 HB3 PHE 22 7.461 -1.515 4.289 171 HD1 PHE 22 HD1 PHE 22 8.757 0.662 3.556 172 HD2 PHE 22 HD2 PHE 22 4.918 -0.514 2.030 173 HE1 PHE 22 HE2 PHE 22 8.314 3.002 2.861 174 HE2 PHE 22 HE1 PHE 22 4.476 1.825 1.336 175 HZ PHE 22 HZ PHE 22 6.174 3.583 1.752 176 H GLY 23 H GLY 23 7.359 -4.445 2.943 177 HA2 GLY 23 HA2 GLY 23 9.277 -5.207 4.943 178 HA3 GLY 23 HA3 GLY 23 8.183 -6.311 4.106 179 H PHE 24 H PHE 24 9.054 -5.853 1.440 180 HA PHE 24 HA PHE 24 11.251 -7.652 1.200 181 HB2 PHE 24 HB2 PHE 24 9.535 -6.001 -0.477 182 HB3 PHE 24 HB3 PHE 24 11.183 -6.032 -1.102 183 HD1 PHE 24 HD1 PHE 24 12.315 -8.262 -1.499 184 HD2 PHE 24 HD2 PHE 24 8.119 -7.913 -0.644 185 HE1 PHE 24 HE2 PHE 24 11.945 -10.549 -2.381 186 HE2 PHE 24 HE1 PHE 24 7.750 -10.199 -1.526 187 HZ PHE 24 HZ PHE 24 9.663 -11.518 -2.396 188 H PHE 25 H PHE 25 11.175 -4.072 0.992 189 HA PHE 25 HA PHE 25 13.988 -3.725 0.495 190 HB2 PHE 25 HB2 PHE 25 12.094 -2.084 0.146 191 HB3 PHE 25 HB3 PHE 25 12.040 -1.866 1.895 192 HD1 PHE 25 HD1 PHE 25 14.212 -1.513 -1.109 193 HD2 PHE 25 HD2 PHE 25 13.633 -0.499 3.026 194 HE1 PHE 25 HE2 PHE 25 16.060 0.133 -1.254 195 HE2 PHE 25 HE1 PHE 25 15.481 1.148 2.880 196 HZ PHE 25 HZ PHE 25 16.695 1.465 0.741 197 H ALA 26 H ALA 26 12.064 -3.733 3.510 198 HA ALA 26 HA ALA 26 14.223 -3.092 5.298 199 HB1 ALA 26 HB1 ALA 26 12.602 -4.082 6.976 200 HB2 ALA 26 HB2 ALA 26 11.588 -4.559 5.614 201 HB3 ALA 26 HB3 ALA 26 11.899 -2.851 5.924 202 H HIS 27 H HIS 27 13.198 -6.124 3.806 203 HA HIS 27 HA HIS 27 15.086 -7.664 5.540 204 HB2 HIS 27 HB2 HIS 27 12.744 -8.323 3.745 205 HB3 HIS 27 HB3 HIS 27 13.837 -9.584 4.316 206 HD1 HIS 27 HD1 HIS 27 13.370 -10.506 6.597 207 HD2 HIS 27 HD2 HIS 27 11.542 -6.801 6.023 208 HE1 HIS 27 HE1 HIS 27 11.958 -10.076 8.655 209 H LEU 28 H LEU 28 15.809 -5.858 3.122 210 HA LEU 28 HA LEU 28 17.634 -7.813 1.849 211 HB2 LEU 28 HB2 LEU 28 15.196 -7.443 0.743 212 HB3 LEU 28 HB3 LEU 28 16.062 -6.115 -0.028 213 HG LEU 28 HG LEU 28 17.817 -8.308 -0.163 214 HD11 LEU 28 HD11 LEU 28 14.952 -9.083 -0.766 215 HD12 LEU 28 HD12 LEU 28 16.062 -9.875 0.352 216 HD13 LEU 28 HD13 LEU 28 16.346 -9.966 -1.387 217 HD21 LEU 28 HD21 LEU 28 17.341 -8.146 -2.596 218 HD22 LEU 28 HD22 LEU 28 17.532 -6.553 -1.865 219 HD23 LEU 28 HD23 LEU 28 15.920 -7.163 -2.241 220 H LEU 29 H LEU 29 18.123 -5.537 3.564 221 HA LEU 29 HA LEU 29 19.647 -3.795 1.663 222 HB2 LEU 29 HB2 LEU 29 17.383 -2.924 2.663 223 HB3 LEU 29 HB3 LEU 29 18.317 -2.725 4.146 224 HG LEU 29 HG LEU 29 20.036 -1.491 2.624 225 HD11 LEU 29 HD11 LEU 29 17.523 -1.476 0.931 226 HD12 LEU 29 HD12 LEU 29 19.129 -2.034 0.463 227 HD13 LEU 29 HD13 LEU 29 18.834 -0.315 0.722 228 HD21 LEU 29 HD21 LEU 29 18.871 -0.252 4.293 229 HD22 LEU 29 HD22 LEU 29 17.332 -0.414 3.448 230 HD23 LEU 29 HD23 LEU 29 18.593 0.629 2.792 231 HA PRO 30 HA PRO 30 22.804 -4.996 4.588 232 HB2 PRO 30 HB2 PRO 30 24.856 -3.613 3.419 233 HB3 PRO 30 HB3 PRO 30 24.241 -5.152 2.782 234 HG2 PRO 30 HG2 PRO 30 23.717 -2.376 1.858 235 HG3 PRO 30 HG3 PRO 30 23.924 -3.861 0.916 236 HD2 PRO 30 HD2 PRO 30 21.496 -2.717 1.452 237 HD3 PRO 30 HD3 PRO 30 21.727 -4.447 1.119 238 H ARG 31 H ARG 31 23.593 -3.998 6.461 239 HA ARG 31 HA ARG 31 23.241 -1.023 6.668 240 HB2 ARG 31 HB2 ARG 31 22.057 -3.203 8.078 241 HB3 ARG 31 HB3 ARG 31 23.133 -2.377 9.205 242 HG2 ARG 31 HG2 ARG 31 21.206 -1.110 9.467 243 HG3 ARG 31 HG3 ARG 31 22.008 -0.205 8.184 244 HD2 ARG 31 HD2 ARG 31 20.005 -0.467 7.091 245 HD3 ARG 31 HD3 ARG 31 20.624 -2.091 6.731 246 HE ARG 31 HE ARG 31 19.441 -2.893 8.775 247 HH11 ARG 31 HH11 ARG 31 17.316 -1.906 6.920 248 HH12 ARG 31 HH12 ARG 31 16.371 -0.881 7.948 249 HH21 ARG 31 HH21 ARG 31 18.829 -0.639 10.397 250 HH22 ARG 31 HH22 ARG 31 17.232 -0.161 9.929 Start of MODEL 10 1 HA ASP 1 HA ASP 1 -19.467 12.709 -13.916 2 HB2 ASP 1 HB2 ASP 1 -21.149 10.399 -14.143 3 HB3 ASP 1 HB3 ASP 1 -20.197 10.239 -12.667 4 H THR 2 H THR 2 -18.490 11.675 -11.693 5 HA THR 2 HA THR 2 -15.720 10.957 -12.357 6 HB THR 2 HB THR 2 -16.418 12.605 -10.598 7 HG1 THR 2 HG1 THR 2 -14.817 11.995 -9.263 8 HG21 THR 2 HG21 THR 2 -17.830 12.071 -8.915 9 HG22 THR 2 HG22 THR 2 -16.994 10.552 -8.590 10 HG23 THR 2 HG23 THR 2 -18.220 10.630 -9.855 11 H GLU 3 H GLU 3 -14.704 8.981 -11.887 12 HA GLU 3 HA GLU 3 -16.118 6.829 -10.460 13 HB2 GLU 3 HB2 GLU 3 -16.951 7.078 -12.932 14 HB3 GLU 3 HB3 GLU 3 -15.403 6.342 -13.350 15 HG2 GLU 3 HG2 GLU 3 -16.131 4.298 -12.742 16 HG3 GLU 3 HG3 GLU 3 -16.667 4.897 -11.173 17 H ILE 4 H ILE 4 -13.589 8.130 -10.022 18 HA ILE 4 HA ILE 4 -11.822 5.801 -9.957 19 HB ILE 4 HB ILE 4 -11.568 6.513 -12.289 20 HG12 ILE 4 HG12 ILE 4 -9.104 7.538 -10.889 21 HG13 ILE 4 HG13 ILE 4 -9.557 5.838 -10.767 22 HG21 ILE 4 HG21 ILE 4 -12.233 8.939 -11.756 23 HG22 ILE 4 HG22 ILE 4 -10.950 8.711 -12.944 24 HG23 ILE 4 HG23 ILE 4 -10.548 9.178 -11.292 25 HD11 ILE 4 HD11 ILE 4 -9.505 5.598 -13.187 26 HD12 ILE 4 HD12 ILE 4 -7.976 6.298 -12.654 27 HD13 ILE 4 HD13 ILE 4 -9.208 7.326 -13.386 28 H ILE 5 H ILE 5 -12.036 9.364 -9.637 29 HA ILE 5 HA ILE 5 -10.179 9.179 -7.290 30 HB ILE 5 HB ILE 5 -9.838 11.654 -7.805 31 HG12 ILE 5 HG12 ILE 5 -10.791 11.211 -10.581 32 HG13 ILE 5 HG13 ILE 5 -12.061 11.407 -9.374 33 HG21 ILE 5 HG21 ILE 5 -8.184 10.015 -8.492 34 HG22 ILE 5 HG22 ILE 5 -8.397 11.180 -9.799 35 HG23 ILE 5 HG23 ILE 5 -9.142 9.586 -9.909 36 HD11 ILE 5 HD11 ILE 5 -11.624 13.620 -10.037 37 HD12 ILE 5 HD12 ILE 5 -9.887 13.341 -10.148 38 HD13 ILE 5 HD13 ILE 5 -10.663 13.452 -8.568 39 H GLY 6 H GLY 6 -11.245 9.348 -5.373 40 HA2 GLY 6 HA2 GLY 6 -13.307 11.416 -5.011 41 HA3 GLY 6 HA3 GLY 6 -13.872 9.757 -4.811 42 H GLY 7 H GLY 7 -13.322 8.636 -2.932 43 HA2 GLY 7 HA2 GLY 7 -11.820 10.219 -0.883 44 HA3 GLY 7 HA3 GLY 7 -13.101 9.070 -0.499 45 H LEU 8 H LEU 8 -10.281 8.762 -2.676 46 HA LEU 8 HA LEU 8 -8.643 7.071 -2.814 47 HB2 LEU 8 HB2 LEU 8 -8.987 7.614 0.144 48 HB3 LEU 8 HB3 LEU 8 -7.729 6.539 -0.464 49 HG LEU 8 HG LEU 8 -7.547 8.808 -2.093 50 HD11 LEU 8 HD11 LEU 8 -7.899 9.595 0.817 51 HD12 LEU 8 HD12 LEU 8 -8.984 10.031 -0.503 52 HD13 LEU 8 HD13 LEU 8 -7.338 10.660 -0.471 53 HD21 LEU 8 HD21 LEU 8 -5.683 7.435 -1.235 54 HD22 LEU 8 HD22 LEU 8 -5.964 8.063 0.389 55 HD23 LEU 8 HD23 LEU 8 -5.410 9.143 -0.890 56 H THR 9 H THR 9 -10.928 5.850 -3.427 57 HA THR 9 HA THR 9 -11.535 3.649 -1.549 58 HB THR 9 HB THR 9 -13.101 3.074 -3.538 59 HG1 THR 9 HG1 THR 9 -12.201 4.188 -5.180 60 HG21 THR 9 HG21 THR 9 -14.583 5.062 -2.978 61 HG22 THR 9 HG22 THR 9 -13.249 5.673 -2.000 62 HG23 THR 9 HG23 THR 9 -14.007 4.133 -1.594 63 H ILE 10 H ILE 10 -8.942 3.307 -2.102 64 HA ILE 10 HA ILE 10 -8.378 1.784 -4.517 65 HB ILE 10 HB ILE 10 -6.222 1.348 -3.315 66 HG12 ILE 10 HG12 ILE 10 -6.843 3.149 -1.082 67 HG13 ILE 10 HG13 ILE 10 -7.768 1.649 -1.022 68 HG21 ILE 10 HG21 ILE 10 -7.029 3.631 -4.446 69 HG22 ILE 10 HG22 ILE 10 -5.458 3.494 -3.655 70 HG23 ILE 10 HG23 ILE 10 -6.815 4.228 -2.800 71 HD11 ILE 10 HD11 ILE 10 -5.394 1.714 0.075 72 HD12 ILE 10 HD12 ILE 10 -4.815 1.567 -1.584 73 HD13 ILE 10 HD13 ILE 10 -5.848 0.314 -0.897 74 HA PRO 11 HA PRO 11 -9.688 -2.203 -3.196 75 HB2 PRO 11 HB2 PRO 11 -7.907 -3.797 -4.531 76 HB3 PRO 11 HB3 PRO 11 -9.237 -2.945 -5.339 77 HG2 PRO 11 HG2 PRO 11 -6.352 -2.239 -5.189 78 HG3 PRO 11 HG3 PRO 11 -7.486 -2.074 -6.538 79 HD2 PRO 11 HD2 PRO 11 -6.718 0.004 -4.943 80 HD3 PRO 11 HD3 PRO 11 -8.275 -0.060 -5.797 81 HA PRO 12 HA PRO 12 -7.138 -3.234 0.259 82 HB2 PRO 12 HB2 PRO 12 -8.089 -5.745 0.805 83 HB3 PRO 12 HB3 PRO 12 -8.987 -4.261 1.178 84 HG2 PRO 12 HG2 PRO 12 -9.306 -6.139 -1.112 85 HG3 PRO 12 HG3 PRO 12 -10.541 -5.303 -0.158 86 HD2 PRO 12 HD2 PRO 12 -9.768 -4.476 -2.625 87 HD3 PRO 12 HD3 PRO 12 -10.361 -3.365 -1.371 88 H VAL 13 H VAL 13 -7.279 -5.435 -2.518 89 HA VAL 13 HA VAL 13 -5.157 -7.205 -1.782 90 HB VAL 13 HB VAL 13 -6.830 -7.499 -3.625 91 HG11 VAL 13 HG11 VAL 13 -6.540 -5.083 -4.439 92 HG12 VAL 13 HG12 VAL 13 -6.645 -6.323 -5.687 93 HG13 VAL 13 HG13 VAL 13 -5.078 -5.646 -5.249 94 HG21 VAL 13 HG21 VAL 13 -3.930 -7.606 -4.513 95 HG22 VAL 13 HG22 VAL 13 -5.260 -8.525 -5.218 96 HG23 VAL 13 HG23 VAL 13 -4.751 -8.842 -3.559 97 H VAL 14 H VAL 14 -5.096 -4.015 -3.386 98 HA VAL 14 HA VAL 14 -2.265 -4.060 -4.018 99 HB VAL 14 HB VAL 14 -4.330 -1.856 -3.676 100 HG11 VAL 14 HG11 VAL 14 -2.634 -0.541 -5.093 101 HG12 VAL 14 HG12 VAL 14 -1.456 -1.763 -4.614 102 HG13 VAL 14 HG13 VAL 14 -2.234 -0.762 -3.389 103 HG21 VAL 14 HG21 VAL 14 -3.080 -2.893 -6.227 104 HG22 VAL 14 HG22 VAL 14 -4.558 -1.949 -6.041 105 HG23 VAL 14 HG23 VAL 14 -4.521 -3.639 -5.537 106 H ALA 15 H ALA 15 -4.183 -2.711 -1.317 107 HA ALA 15 HA ALA 15 -2.032 -1.477 0.111 108 HB1 ALA 15 HB1 ALA 15 -4.674 -2.698 0.972 109 HB2 ALA 15 HB2 ALA 15 -4.370 -1.009 0.568 110 HB3 ALA 15 HB3 ALA 15 -3.666 -1.707 2.026 111 H LEU 16 H LEU 16 -3.323 -4.802 0.175 112 HA LEU 16 HA LEU 16 -1.800 -5.765 2.414 113 HB2 LEU 16 HB2 LEU 16 -3.824 -6.776 1.208 114 HB3 LEU 16 HB3 LEU 16 -2.690 -7.329 -0.025 115 HG LEU 16 HG LEU 16 -1.838 -7.945 2.726 116 HD11 LEU 16 HD11 LEU 16 -3.458 -9.760 3.053 117 HD12 LEU 16 HD12 LEU 16 -4.300 -9.295 1.575 118 HD13 LEU 16 HD13 LEU 16 -4.294 -8.210 2.965 119 HD21 LEU 16 HD21 LEU 16 -0.886 -8.769 0.488 120 HD22 LEU 16 HD22 LEU 16 -2.314 -9.800 0.382 121 HD23 LEU 16 HD23 LEU 16 -1.177 -10.002 1.715 122 H VAL 17 H VAL 17 -1.123 -5.720 -1.097 123 HA VAL 17 HA VAL 17 1.349 -7.170 -1.026 124 HB VAL 17 HB VAL 17 0.157 -5.072 -2.866 125 HG11 VAL 17 HG11 VAL 17 2.593 -6.811 -3.378 126 HG12 VAL 17 HG12 VAL 17 2.647 -5.077 -3.057 127 HG13 VAL 17 HG13 VAL 17 1.858 -5.680 -4.514 128 HG21 VAL 17 HG21 VAL 17 0.551 -8.059 -3.222 129 HG22 VAL 17 HG22 VAL 17 -0.367 -6.979 -4.270 130 HG23 VAL 17 HG23 VAL 17 -0.945 -7.329 -2.641 131 H VAL 18 H VAL 18 0.597 -3.719 -0.571 132 HA VAL 18 HA VAL 18 3.380 -2.854 -0.491 133 HB VAL 18 HB VAL 18 0.764 -1.612 0.434 134 HG11 VAL 18 HG11 VAL 18 2.131 0.543 0.185 135 HG12 VAL 18 HG12 VAL 18 3.562 -0.488 0.192 136 HG13 VAL 18 HG13 VAL 18 2.495 -0.451 1.596 137 HG21 VAL 18 HG21 VAL 18 2.077 -1.958 -2.155 138 HG22 VAL 18 HG22 VAL 18 1.756 -0.262 -1.798 139 HG23 VAL 18 HG23 VAL 18 0.433 -1.427 -1.798 140 H MET 19 H MET 19 0.988 -3.907 1.913 141 HA MET 19 HA MET 19 2.327 -3.061 4.291 142 HB2 MET 19 HB2 MET 19 0.360 -5.201 3.518 143 HB3 MET 19 HB3 MET 19 1.008 -5.181 5.157 144 HG2 MET 19 HG2 MET 19 0.228 -2.899 5.491 145 HG3 MET 19 HG3 MET 19 -0.307 -2.803 3.812 146 HE1 MET 19 HE1 MET 19 -2.639 -4.009 7.351 147 HE2 MET 19 HE2 MET 19 -1.948 -2.482 6.809 148 HE3 MET 19 HE3 MET 19 -0.884 -3.790 7.319 149 H SER 20 H SER 20 2.579 -6.110 2.426 150 HA SER 20 HA SER 20 4.590 -7.254 4.219 151 HB2 SER 20 HB2 SER 20 4.613 -9.026 2.484 152 HB3 SER 20 HB3 SER 20 2.966 -8.595 2.936 153 HG SER 20 HG SER 20 4.393 -8.078 0.585 154 H ARG 21 H ARG 21 4.668 -5.079 1.504 155 HA ARG 21 HA ARG 21 7.285 -5.688 0.471 156 HB2 ARG 21 HB2 ARG 21 5.256 -3.526 0.318 157 HB3 ARG 21 HB3 ARG 21 6.905 -3.057 -0.092 158 HG2 ARG 21 HG2 ARG 21 5.654 -5.540 -1.263 159 HG3 ARG 21 HG3 ARG 21 5.405 -3.957 -2.001 160 HD2 ARG 21 HD2 ARG 21 7.875 -3.662 -2.172 161 HD3 ARG 21 HD3 ARG 21 8.094 -5.288 -1.497 162 HE ARG 21 HE ARG 21 6.271 -5.190 -3.793 163 HH11 ARG 21 HH11 ARG 21 8.801 -4.177 -4.921 164 HH12 ARG 21 HH12 ARG 21 9.656 -5.626 -5.330 165 HH21 ARG 21 HH21 ARG 21 7.675 -7.667 -3.330 166 HH22 ARG 21 HH22 ARG 21 9.013 -7.610 -4.426 167 H PHE 22 H PHE 22 6.309 -4.163 3.429 168 HA PHE 22 HA PHE 22 8.342 -2.260 3.891 169 HB2 PHE 22 HB2 PHE 22 7.599 -2.372 6.106 170 HB3 PHE 22 HB3 PHE 22 6.229 -3.066 5.246 171 HD1 PHE 22 HD1 PHE 22 6.139 -5.639 5.007 172 HD2 PHE 22 HD2 PHE 22 8.731 -3.608 7.763 173 HE1 PHE 22 HE1 PHE 22 6.388 -7.731 6.311 174 HE2 PHE 22 HE2 PHE 22 8.983 -5.702 9.067 175 HZ PHE 22 HZ PHE 22 7.811 -7.763 8.341 176 H GLY 23 H GLY 23 8.531 -5.793 4.003 177 HA2 GLY 23 HA2 GLY 23 11.241 -5.726 5.180 178 HA3 GLY 23 HA3 GLY 23 10.327 -7.178 4.761 179 H PHE 24 H PHE 24 9.658 -6.254 2.058 180 HA PHE 24 HA PHE 24 11.864 -7.305 0.586 181 HB2 PHE 24 HB2 PHE 24 9.245 -6.671 0.123 182 HB3 PHE 24 HB3 PHE 24 10.057 -5.385 -0.768 183 HD1 PHE 24 HD1 PHE 24 11.802 -5.982 -2.494 184 HD2 PHE 24 HD2 PHE 24 9.239 -8.916 -0.685 185 HE1 PHE 24 HE2 PHE 24 12.333 -7.571 -4.321 186 HE2 PHE 24 HE1 PHE 24 9.770 -10.506 -2.513 187 HZ PHE 24 HZ PHE 24 11.316 -9.833 -4.330 188 H PHE 25 H PHE 25 10.774 -3.893 0.894 189 HA PHE 25 HA PHE 25 12.979 -2.748 -0.556 190 HB2 PHE 25 HB2 PHE 25 10.629 -1.846 0.255 191 HB3 PHE 25 HB3 PHE 25 11.540 -1.336 1.676 192 HD1 PHE 25 HD1 PHE 25 13.595 0.133 1.356 193 HD2 PHE 25 HD2 PHE 25 10.773 -0.641 -1.788 194 HE1 PHE 25 HE2 PHE 25 14.444 2.101 0.110 195 HE2 PHE 25 HE1 PHE 25 11.622 1.327 -3.034 196 HZ PHE 25 HZ PHE 25 13.458 2.698 -2.085 197 H ALA 26 H ALA 26 12.539 -3.561 2.877 198 HA ALA 26 HA ALA 26 14.817 -2.177 3.931 199 HB1 ALA 26 HB1 ALA 26 14.497 -3.796 5.810 200 HB2 ALA 26 HB2 ALA 26 13.384 -4.711 4.793 201 HB3 ALA 26 HB3 ALA 26 12.979 -3.067 5.286 202 H HIS 27 H HIS 27 14.457 -5.454 2.553 203 HA HIS 27 HA HIS 27 17.419 -5.834 2.807 204 HB2 HIS 27 HB2 HIS 27 15.463 -7.401 3.726 205 HB3 HIS 27 HB3 HIS 27 15.495 -8.013 2.073 206 HD1 HIS 27 HD1 HIS 27 17.992 -8.751 1.210 207 HD2 HIS 27 HD2 HIS 27 17.447 -8.475 5.334 208 HE1 HIS 27 HE1 HIS 27 19.899 -10.036 2.274 209 H LEU 28 H LEU 28 16.894 -4.144 0.768 210 HA LEU 28 HA LEU 28 16.978 -5.860 -1.700 211 HB2 LEU 28 HB2 LEU 28 15.151 -3.856 -0.920 212 HB3 LEU 28 HB3 LEU 28 16.174 -3.104 -2.144 213 HG LEU 28 HG LEU 28 14.892 -5.820 -2.520 214 HD11 LEU 28 HD11 LEU 28 13.233 -4.619 -3.936 215 HD12 LEU 28 HD12 LEU 28 13.909 -3.084 -3.390 216 HD13 LEU 28 HD13 LEU 28 13.116 -4.159 -2.238 217 HD21 LEU 28 HD21 LEU 28 16.057 -3.803 -4.470 218 HD22 LEU 28 HD22 LEU 28 15.397 -5.383 -4.889 219 HD23 LEU 28 HD23 LEU 28 16.870 -5.269 -3.927 220 H LEU 29 H LEU 29 17.880 -2.580 -0.523 221 HA LEU 29 HA LEU 29 20.566 -2.932 -1.784 222 HB2 LEU 29 HB2 LEU 29 18.911 -1.774 -3.307 223 HB3 LEU 29 HB3 LEU 29 18.779 -0.497 -2.098 224 HG LEU 29 HG LEU 29 21.553 -1.190 -2.829 225 HD11 LEU 29 HD11 LEU 29 20.685 -1.446 -5.044 226 HD12 LEU 29 HD12 LEU 29 21.344 0.189 -4.967 227 HD13 LEU 29 HD13 LEU 29 19.603 -0.067 -4.852 228 HD21 LEU 29 HD21 LEU 29 20.917 0.726 -1.392 229 HD22 LEU 29 HD22 LEU 29 19.989 1.411 -2.726 230 HD23 LEU 29 HD23 LEU 29 21.742 1.270 -2.852 231 HA PRO 30 HA PRO 30 21.583 -1.176 2.182 232 HB2 PRO 30 HB2 PRO 30 24.285 -0.989 1.792 233 HB3 PRO 30 HB3 PRO 30 23.463 -2.523 2.145 234 HG2 PRO 30 HG2 PRO 30 24.448 -1.455 -0.447 235 HG3 PRO 30 HG3 PRO 30 24.439 -3.117 0.161 236 HD2 PRO 30 HD2 PRO 30 22.635 -2.129 -1.654 237 HD3 PRO 30 HD3 PRO 30 22.320 -3.509 -0.581 238 H ARG 31 H ARG 31 21.356 0.970 2.699 239 HA ARG 31 HA ARG 31 21.518 3.320 2.592 240 HB2 ARG 31 HB2 ARG 31 23.972 2.409 2.411 241 HB3 ARG 31 HB3 ARG 31 23.853 2.918 0.727 242 HG2 ARG 31 HG2 ARG 31 22.836 5.096 2.117 243 HG3 ARG 31 HG3 ARG 31 24.161 4.544 3.143 244 HD2 ARG 31 HD2 ARG 31 24.438 5.021 0.154 245 HD3 ARG 31 HD3 ARG 31 24.900 6.203 1.395 246 HE ARG 31 HE ARG 31 26.052 3.435 1.404 247 HH11 ARG 31 HH11 ARG 31 26.618 5.651 3.477 248 HH12 ARG 31 HH12 ARG 31 28.174 6.192 2.945 249 HH21 ARG 31 HH21 ARG 31 27.930 4.651 -0.165 250 HH22 ARG 31 HH22 ARG 31 28.922 5.624 0.871 Start of MODEL 11 1 HA ASP 1 HA ASP 1 1.145 7.330 3.972 2 HB2 ASP 1 HB2 ASP 1 2.419 9.221 2.052 3 HB3 ASP 1 HB3 ASP 1 0.954 9.781 2.856 4 H THR 2 H THR 2 -1.086 8.195 3.821 5 HA THR 2 HA THR 2 -2.487 7.179 1.387 6 HB THR 2 HB THR 2 -3.619 8.014 4.077 7 HG1 THR 2 HG1 THR 2 -2.870 6.226 4.857 8 HG21 THR 2 HG21 THR 2 -5.303 6.187 3.325 9 HG22 THR 2 HG22 THR 2 -4.610 6.421 1.720 10 HG23 THR 2 HG23 THR 2 -5.390 7.769 2.548 11 H GLU 3 H GLU 3 -2.607 8.861 -0.098 12 HA GLU 3 HA GLU 3 -3.294 11.600 0.871 13 HB2 GLU 3 HB2 GLU 3 -2.162 10.417 -1.676 14 HB3 GLU 3 HB3 GLU 3 -2.682 12.100 -1.582 15 HG2 GLU 3 HG2 GLU 3 -1.120 11.726 0.711 16 HG3 GLU 3 HG3 GLU 3 -0.248 10.870 -0.561 17 H ILE 4 H ILE 4 -5.554 10.681 1.295 18 HA ILE 4 HA ILE 4 -7.825 10.446 0.697 19 HB ILE 4 HB ILE 4 -6.933 12.155 -1.650 20 HG12 ILE 4 HG12 ILE 4 -7.937 13.745 0.486 21 HG13 ILE 4 HG13 ILE 4 -6.724 12.672 1.182 22 HG21 ILE 4 HG21 ILE 4 -9.519 12.253 -0.083 23 HG22 ILE 4 HG22 ILE 4 -9.322 11.243 -1.515 24 HG23 ILE 4 HG23 ILE 4 -9.167 12.995 -1.643 25 HD11 ILE 4 HD11 ILE 4 -5.782 14.834 0.303 26 HD12 ILE 4 HD12 ILE 4 -6.272 14.329 -1.314 27 HD13 ILE 4 HD13 ILE 4 -5.066 13.397 -0.426 28 H ILE 5 H ILE 5 -6.838 8.120 0.103 29 HA ILE 5 HA ILE 5 -7.349 7.566 -2.799 30 HB ILE 5 HB ILE 5 -5.794 6.041 -0.682 31 HG12 ILE 5 HG12 ILE 5 -4.702 8.145 -1.368 32 HG13 ILE 5 HG13 ILE 5 -3.814 6.755 -1.990 33 HG21 ILE 5 HG21 ILE 5 -6.443 4.369 -2.177 34 HG22 ILE 5 HG22 ILE 5 -4.925 4.911 -2.893 35 HG23 ILE 5 HG23 ILE 5 -6.460 5.469 -3.557 36 HD11 ILE 5 HD11 ILE 5 -3.935 7.875 -3.972 37 HD12 ILE 5 HD12 ILE 5 -5.316 8.842 -3.454 38 HD13 ILE 5 HD13 ILE 5 -5.561 7.197 -4.040 39 H GLY 6 H GLY 6 -8.936 7.408 0.123 40 HA2 GLY 6 HA2 GLY 6 -10.207 4.773 -0.370 41 HA3 GLY 6 HA3 GLY 6 -10.437 5.774 1.065 42 H GLY 7 H GLY 7 -10.947 6.083 -2.474 43 HA2 GLY 7 HA2 GLY 7 -13.438 7.615 -1.898 44 HA3 GLY 7 HA3 GLY 7 -12.591 7.593 -3.446 45 H LEU 8 H LEU 8 -12.282 4.897 -3.932 46 HA LEU 8 HA LEU 8 -15.124 3.971 -4.155 47 HB2 LEU 8 HB2 LEU 8 -13.214 4.521 -6.074 48 HB3 LEU 8 HB3 LEU 8 -13.057 2.775 -5.890 49 HG LEU 8 HG LEU 8 -14.713 3.314 -7.627 50 HD11 LEU 8 HD11 LEU 8 -16.542 1.949 -6.795 51 HD12 LEU 8 HD12 LEU 8 -16.086 2.287 -5.126 52 HD13 LEU 8 HD13 LEU 8 -15.029 1.314 -6.149 53 HD21 LEU 8 HD21 LEU 8 -15.335 5.534 -6.485 54 HD22 LEU 8 HD22 LEU 8 -16.401 4.577 -5.458 55 HD23 LEU 8 HD23 LEU 8 -16.659 4.616 -7.201 56 H THR 9 H THR 9 -13.984 3.361 -1.746 57 HA THR 9 HA THR 9 -13.131 1.636 -0.348 58 HB THR 9 HB THR 9 -14.568 -0.435 -0.774 59 HG1 THR 9 HG1 THR 9 -14.744 -0.189 -3.027 60 HG21 THR 9 HG21 THR 9 -16.678 0.771 -0.277 61 HG22 THR 9 HG22 THR 9 -15.900 2.287 -0.730 62 HG23 THR 9 HG23 THR 9 -15.326 1.385 0.673 63 H ILE 10 H ILE 10 -10.910 1.695 -1.367 64 HA ILE 10 HA ILE 10 -10.098 -0.018 -3.497 65 HB ILE 10 HB ILE 10 -7.831 0.239 -2.409 66 HG12 ILE 10 HG12 ILE 10 -9.090 2.082 -0.408 67 HG13 ILE 10 HG13 ILE 10 -9.069 0.355 -0.053 68 HG21 ILE 10 HG21 ILE 10 -7.753 2.681 -2.700 69 HG22 ILE 10 HG22 ILE 10 -9.512 2.756 -2.607 70 HG23 ILE 10 HG23 ILE 10 -8.735 1.934 -3.960 71 HD11 ILE 10 HD11 ILE 10 -6.699 2.158 -0.592 72 HD12 ILE 10 HD12 ILE 10 -6.580 0.397 -0.588 73 HD13 ILE 10 HD13 ILE 10 -7.053 1.253 0.880 74 HA PRO 11 HA PRO 11 -10.417 -4.008 -1.652 75 HB2 PRO 11 HB2 PRO 11 -8.668 -5.366 -3.266 76 HB3 PRO 11 HB3 PRO 11 -10.286 -4.863 -3.795 77 HG2 PRO 11 HG2 PRO 11 -7.642 -3.603 -4.335 78 HG3 PRO 11 HG3 PRO 11 -9.035 -3.811 -5.410 79 HD2 PRO 11 HD2 PRO 11 -8.437 -1.460 -4.176 80 HD3 PRO 11 HD3 PRO 11 -10.091 -1.938 -4.619 81 HA PRO 12 HA PRO 12 -7.003 -4.470 1.097 82 HB2 PRO 12 HB2 PRO 12 -7.053 -7.159 1.600 83 HB3 PRO 12 HB3 PRO 12 -8.260 -6.031 2.244 84 HG2 PRO 12 HG2 PRO 12 -8.453 -7.893 -0.064 85 HG3 PRO 12 HG3 PRO 12 -9.679 -7.442 1.130 86 HD2 PRO 12 HD2 PRO 12 -9.571 -6.431 -1.412 87 HD3 PRO 12 HD3 PRO 12 -10.314 -5.587 -0.036 88 H VAL 13 H VAL 13 -7.016 -6.216 -1.923 89 HA VAL 13 HA VAL 13 -4.491 -7.548 -1.772 90 HB VAL 13 HB VAL 13 -6.306 -7.906 -3.454 91 HG11 VAL 13 HG11 VAL 13 -6.651 -5.374 -3.780 92 HG12 VAL 13 HG12 VAL 13 -6.708 -6.381 -5.227 93 HG13 VAL 13 HG13 VAL 13 -5.258 -5.445 -4.860 94 HG21 VAL 13 HG21 VAL 13 -4.006 -8.703 -3.888 95 HG22 VAL 13 HG22 VAL 13 -3.615 -7.157 -4.641 96 HG23 VAL 13 HG23 VAL 13 -4.808 -8.223 -5.383 97 H VAL 14 H VAL 14 -5.302 -4.204 -2.799 98 HA VAL 14 HA VAL 14 -2.576 -3.576 -3.603 99 HB VAL 14 HB VAL 14 -3.475 -1.229 -3.611 100 HG11 VAL 14 HG11 VAL 14 -3.790 -2.877 -5.506 101 HG12 VAL 14 HG12 VAL 14 -4.984 -1.581 -5.445 102 HG13 VAL 14 HG13 VAL 14 -5.404 -3.194 -4.869 103 HG21 VAL 14 HG21 VAL 14 -6.143 -2.423 -2.859 104 HG22 VAL 14 HG22 VAL 14 -5.679 -0.725 -2.926 105 HG23 VAL 14 HG23 VAL 14 -5.070 -1.752 -1.631 106 H ALA 15 H ALA 15 -4.421 -3.256 -0.584 107 HA ALA 15 HA ALA 15 -2.489 -1.623 0.819 108 HB1 ALA 15 HB1 ALA 15 -4.924 -1.995 1.380 109 HB2 ALA 15 HB2 ALA 15 -3.838 -2.224 2.752 110 HB3 ALA 15 HB3 ALA 15 -4.497 -3.623 1.905 111 H LEU 16 H LEU 16 -2.998 -5.137 0.505 112 HA LEU 16 HA LEU 16 -1.017 -5.972 2.415 113 HB2 LEU 16 HB2 LEU 16 -2.945 -7.246 1.238 114 HB3 LEU 16 HB3 LEU 16 -1.813 -7.452 -0.100 115 HG LEU 16 HG LEU 16 -0.176 -8.301 1.767 116 HD11 LEU 16 HD11 LEU 16 -1.437 -7.786 3.729 117 HD12 LEU 16 HD12 LEU 16 -1.547 -9.536 3.541 118 HD13 LEU 16 HD13 LEU 16 -2.901 -8.512 3.065 119 HD21 LEU 16 HD21 LEU 16 -1.308 -10.612 1.578 120 HD22 LEU 16 HD22 LEU 16 -0.865 -9.814 0.070 121 HD23 LEU 16 HD23 LEU 16 -2.540 -9.793 0.619 122 H VAL 17 H VAL 17 -0.851 -5.307 -1.093 123 HA VAL 17 HA VAL 17 1.867 -6.166 -1.486 124 HB VAL 17 HB VAL 17 -0.012 -4.244 -2.886 125 HG11 VAL 17 HG11 VAL 17 2.841 -4.976 -3.544 126 HG12 VAL 17 HG12 VAL 17 2.081 -3.385 -3.556 127 HG13 VAL 17 HG13 VAL 17 1.699 -4.554 -4.820 128 HG21 VAL 17 HG21 VAL 17 -0.491 -6.705 -2.911 129 HG22 VAL 17 HG22 VAL 17 1.074 -6.965 -3.679 130 HG23 VAL 17 HG23 VAL 17 -0.177 -6.048 -4.516 131 H VAL 18 H VAL 18 0.438 -3.072 -0.456 132 HA VAL 18 HA VAL 18 2.781 -1.439 -0.646 133 HB VAL 18 HB VAL 18 0.350 -1.386 1.177 134 HG11 VAL 18 HG11 VAL 18 2.461 0.734 0.670 135 HG12 VAL 18 HG12 VAL 18 2.117 -0.059 2.208 136 HG13 VAL 18 HG13 VAL 18 0.928 1.030 1.491 137 HG21 VAL 18 HG21 VAL 18 0.656 0.646 -0.920 138 HG22 VAL 18 HG22 VAL 18 -0.730 -0.376 -0.543 139 HG23 VAL 18 HG23 VAL 18 0.571 -0.994 -1.561 140 H MET 19 H MET 19 1.478 -3.314 2.133 141 HA MET 19 HA MET 19 3.783 -2.684 3.820 142 HB2 MET 19 HB2 MET 19 2.637 -4.098 5.427 143 HB3 MET 19 HB3 MET 19 1.427 -3.120 4.602 144 HG2 MET 19 HG2 MET 19 0.812 -4.979 3.171 145 HG3 MET 19 HG3 MET 19 2.137 -5.958 3.802 146 HE1 MET 19 HE1 MET 19 -1.109 -3.972 6.009 147 HE2 MET 19 HE2 MET 19 -1.925 -5.136 4.969 148 HE3 MET 19 HE3 MET 19 -0.793 -3.982 4.269 149 H SER 20 H SER 20 2.832 -5.397 1.723 150 HA SER 20 HA SER 20 4.802 -7.295 2.610 151 HB2 SER 20 HB2 SER 20 3.313 -6.813 0.017 152 HB3 SER 20 HB3 SER 20 4.396 -8.185 0.231 153 HG SER 20 HG SER 20 1.915 -7.644 1.370 154 H ARG 21 H ARG 21 4.857 -4.839 0.002 155 HA ARG 21 HA ARG 21 7.521 -5.411 -0.927 156 HB2 ARG 21 HB2 ARG 21 5.724 -4.122 -2.116 157 HB3 ARG 21 HB3 ARG 21 5.957 -2.807 -0.963 158 HG2 ARG 21 HG2 ARG 21 8.424 -3.806 -2.271 159 HG3 ARG 21 HG3 ARG 21 7.286 -2.973 -3.332 160 HD2 ARG 21 HD2 ARG 21 8.072 -1.774 -0.668 161 HD3 ARG 21 HD3 ARG 21 9.052 -1.508 -2.122 162 HE ARG 21 HE ARG 21 6.200 -0.682 -1.812 163 HH11 ARG 21 HH11 ARG 21 6.717 -1.315 -4.629 164 HH12 ARG 21 HH12 ARG 21 7.348 0.168 -5.263 165 HH21 ARG 21 HH21 ARG 21 8.090 1.488 -2.132 166 HH22 ARG 21 HH22 ARG 21 8.130 1.763 -3.842 167 H PHE 22 H PHE 22 6.240 -3.261 1.608 168 HA PHE 22 HA PHE 22 8.614 -1.795 2.200 169 HB2 PHE 22 HB2 PHE 22 6.157 -1.543 2.995 170 HB3 PHE 22 HB3 PHE 22 6.576 -2.733 4.229 171 HD1 PHE 22 HD1 PHE 22 7.257 0.669 2.950 172 HD2 PHE 22 HD2 PHE 22 8.087 -2.191 6.046 173 HE1 PHE 22 HE2 PHE 22 8.307 2.453 4.317 174 HE2 PHE 22 HE1 PHE 22 9.136 -0.408 7.413 175 HZ PHE 22 HZ PHE 22 9.246 1.914 6.549 176 H GLY 23 H GLY 23 7.427 -4.933 3.457 177 HA2 GLY 23 HA2 GLY 23 9.576 -5.347 5.321 178 HA3 GLY 23 HA3 GLY 23 8.535 -6.614 4.670 179 H PHE 24 H PHE 24 9.079 -6.390 1.941 180 HA PHE 24 HA PHE 24 11.533 -7.859 1.661 181 HB2 PHE 24 HB2 PHE 24 9.405 -6.677 -0.038 182 HB3 PHE 24 HB3 PHE 24 10.953 -6.929 -0.845 183 HD1 PHE 24 HD1 PHE 24 8.358 -8.643 1.223 184 HD2 PHE 24 HD2 PHE 24 11.642 -9.093 -1.509 185 HE1 PHE 24 HE2 PHE 24 7.869 -11.067 1.035 186 HE2 PHE 24 HE1 PHE 24 11.154 -11.516 -1.697 187 HZ PHE 24 HZ PHE 24 9.267 -12.503 -0.425 188 H PHE 25 H PHE 25 10.700 -4.442 1.042 189 HA PHE 25 HA PHE 25 13.204 -3.627 -0.083 190 HB2 PHE 25 HB2 PHE 25 10.903 -2.477 -0.005 191 HB3 PHE 25 HB3 PHE 25 11.351 -1.942 1.615 192 HD1 PHE 25 HD1 PHE 25 12.439 -1.884 -1.957 193 HD2 PHE 25 HD2 PHE 25 12.803 -0.096 1.932 194 HE1 PHE 25 HE1 PHE 25 13.757 -0.025 -2.934 195 HE2 PHE 25 HE2 PHE 25 14.120 1.762 0.954 196 HZ PHE 25 HZ PHE 25 14.598 1.799 -1.479 197 H ALA 26 H ALA 26 12.292 -4.295 3.241 198 HA ALA 26 HA ALA 26 14.559 -2.768 4.371 199 HB1 ALA 26 HB1 ALA 26 12.341 -2.905 5.460 200 HB2 ALA 26 HB2 ALA 26 13.596 -3.592 6.491 201 HB3 ALA 26 HB3 ALA 26 12.516 -4.655 5.588 202 H HIS 27 H HIS 27 15.262 -4.952 2.519 203 HA HIS 27 HA HIS 27 17.272 -6.302 4.111 204 HB2 HIS 27 HB2 HIS 27 14.896 -7.394 4.543 205 HB3 HIS 27 HB3 HIS 27 15.210 -8.182 2.996 206 HD1 HIS 27 HD1 HIS 27 16.557 -7.922 6.512 207 HD2 HIS 27 HD2 HIS 27 17.229 -10.159 3.059 208 HE1 HIS 27 HE1 HIS 27 18.113 -9.809 7.172 209 H LEU 28 H LEU 28 15.312 -6.498 1.122 210 HA LEU 28 HA LEU 28 17.038 -7.988 -0.526 211 HB2 LEU 28 HB2 LEU 28 14.849 -6.038 -0.794 212 HB3 LEU 28 HB3 LEU 28 15.907 -6.112 -2.203 213 HG LEU 28 HG LEU 28 15.655 -8.648 -2.104 214 HD11 LEU 28 HD11 LEU 28 14.761 -8.548 0.296 215 HD12 LEU 28 HD12 LEU 28 13.879 -9.591 -0.818 216 HD13 LEU 28 HD13 LEU 28 13.237 -8.003 -0.403 217 HD21 LEU 28 HD21 LEU 28 13.212 -6.915 -2.595 218 HD22 LEU 28 HD22 LEU 28 13.388 -8.577 -3.160 219 HD23 LEU 28 HD23 LEU 28 14.464 -7.320 -3.770 220 H LEU 29 H LEU 29 17.201 -4.493 0.220 221 HA LEU 29 HA LEU 29 19.837 -4.437 -1.214 222 HB2 LEU 29 HB2 LEU 29 18.976 -1.820 -1.224 223 HB3 LEU 29 HB3 LEU 29 18.776 -2.942 -2.562 224 HG LEU 29 HG LEU 29 16.549 -3.610 -1.392 225 HD11 LEU 29 HD11 LEU 29 16.860 -2.515 0.738 226 HD12 LEU 29 HD12 LEU 29 15.581 -1.652 -0.113 227 HD13 LEU 29 HD13 LEU 29 17.208 -0.975 -0.047 228 HD21 LEU 29 HD21 LEU 29 16.886 -2.224 -3.508 229 HD22 LEU 29 HD22 LEU 29 16.714 -0.796 -2.489 230 HD23 LEU 29 HD23 LEU 29 15.379 -1.939 -2.639 231 HA PRO 30 HA PRO 30 21.162 -3.364 2.912 232 HB2 PRO 30 HB2 PRO 30 23.834 -3.200 2.322 233 HB3 PRO 30 HB3 PRO 30 22.988 -4.741 2.562 234 HG2 PRO 30 HG2 PRO 30 23.776 -3.387 0.033 235 HG3 PRO 30 HG3 PRO 30 23.790 -5.109 0.444 236 HD2 PRO 30 HD2 PRO 30 21.856 -3.936 -1.083 237 HD3 PRO 30 HD3 PRO 30 21.586 -5.389 -0.097 238 H ARG 31 H ARG 31 20.315 -1.241 3.083 239 HA ARG 31 HA ARG 31 21.728 0.976 1.670 240 HB2 ARG 31 HB2 ARG 31 19.171 0.840 3.305 241 HB3 ARG 31 HB3 ARG 31 19.744 2.270 2.449 242 HG2 ARG 31 HG2 ARG 31 19.797 0.133 0.580 243 HG3 ARG 31 HG3 ARG 31 18.247 0.037 1.414 244 HD2 ARG 31 HD2 ARG 31 17.746 1.558 -0.297 245 HD3 ARG 31 HD3 ARG 31 18.232 2.668 1.001 246 HE ARG 31 HE ARG 31 20.386 2.931 -0.075 247 HH11 ARG 31 HH11 ARG 31 18.626 3.287 -2.462 248 HH12 ARG 31 HH12 ARG 31 19.328 2.195 -3.607 249 HH21 ARG 31 HH21 ARG 31 21.128 0.429 -1.212 250 HH22 ARG 31 HH22 ARG 31 20.753 0.571 -2.898 Start of MODEL 12 1 HA ASP 1 HA ASP 1 -22.819 -14.226 12.023 2 HB2 ASP 1 HB2 ASP 1 -24.554 -13.576 9.688 3 HB3 ASP 1 HB3 ASP 1 -23.635 -15.079 9.587 4 H THR 2 H THR 2 -20.888 -15.211 11.451 5 HA THR 2 HA THR 2 -18.737 -15.426 10.506 6 HB THR 2 HB THR 2 -20.216 -14.463 8.031 7 HG1 THR 2 HG1 THR 2 -20.000 -17.074 9.130 8 HG21 THR 2 HG21 THR 2 -17.864 -14.637 7.606 9 HG22 THR 2 HG22 THR 2 -18.603 -16.091 6.936 10 HG23 THR 2 HG23 THR 2 -17.755 -16.165 8.481 11 H GLU 3 H GLU 3 -18.308 -13.400 11.903 12 HA GLU 3 HA GLU 3 -18.136 -10.813 10.545 13 HB2 GLU 3 HB2 GLU 3 -16.914 -11.768 13.159 14 HB3 GLU 3 HB3 GLU 3 -17.216 -10.096 12.691 15 HG2 GLU 3 HG2 GLU 3 -19.337 -12.227 13.125 16 HG3 GLU 3 HG3 GLU 3 -18.976 -10.892 14.218 17 H ILE 4 H ILE 4 -16.782 -12.018 8.748 18 HA ILE 4 HA ILE 4 -13.872 -12.019 9.481 19 HB ILE 4 HB ILE 4 -15.395 -13.325 7.197 20 HG12 ILE 4 HG12 ILE 4 -15.906 -14.359 9.368 21 HG13 ILE 4 HG13 ILE 4 -14.891 -15.436 8.410 22 HG21 ILE 4 HG21 ILE 4 -12.486 -13.447 8.033 23 HG22 ILE 4 HG22 ILE 4 -13.130 -12.867 6.498 24 HG23 ILE 4 HG23 ILE 4 -13.224 -14.581 6.902 25 HD11 ILE 4 HD11 ILE 4 -12.897 -14.339 9.645 26 HD12 ILE 4 HD12 ILE 4 -13.896 -15.471 10.557 27 HD13 ILE 4 HD13 ILE 4 -14.106 -13.735 10.778 28 H ILE 5 H ILE 5 -16.151 -11.069 6.875 29 HA ILE 5 HA ILE 5 -14.141 -9.029 5.986 30 HB ILE 5 HB ILE 5 -14.776 -10.990 4.472 31 HG12 ILE 5 HG12 ILE 5 -15.595 -8.376 3.223 32 HG13 ILE 5 HG13 ILE 5 -13.943 -8.600 3.800 33 HG21 ILE 5 HG21 ILE 5 -17.259 -10.774 5.181 34 HG22 ILE 5 HG22 ILE 5 -16.919 -11.082 3.478 35 HG23 ILE 5 HG23 ILE 5 -17.334 -9.454 4.014 36 HD11 ILE 5 HD11 ILE 5 -14.952 -10.865 2.216 37 HD12 ILE 5 HD12 ILE 5 -13.419 -10.003 2.097 38 HD13 ILE 5 HD13 ILE 5 -14.858 -9.354 1.311 39 H GLY 6 H GLY 6 -14.934 -6.920 5.539 40 HA2 GLY 6 HA2 GLY 6 -17.162 -6.020 7.129 41 HA3 GLY 6 HA3 GLY 6 -16.272 -5.035 5.968 42 H GLY 7 H GLY 7 -16.717 -6.325 3.584 43 HA2 GLY 7 HA2 GLY 7 -18.508 -7.179 2.160 44 HA3 GLY 7 HA3 GLY 7 -19.678 -6.587 3.338 45 H LEU 8 H LEU 8 -16.895 -4.910 1.846 46 HA LEU 8 HA LEU 8 -18.796 -2.770 0.960 47 HB2 LEU 8 HB2 LEU 8 -16.435 -2.770 2.470 48 HB3 LEU 8 HB3 LEU 8 -15.945 -2.156 0.894 49 HG LEU 8 HG LEU 8 -18.487 -1.066 1.975 50 HD11 LEU 8 HD11 LEU 8 -17.167 0.594 3.356 51 HD12 LEU 8 HD12 LEU 8 -15.770 -0.467 3.176 52 HD13 LEU 8 HD13 LEU 8 -17.209 -1.039 4.020 53 HD21 LEU 8 HD21 LEU 8 -17.504 -0.317 -0.165 54 HD22 LEU 8 HD22 LEU 8 -16.029 0.160 0.677 55 HD23 LEU 8 HD23 LEU 8 -17.543 1.004 1.003 56 H THR 9 H THR 9 -17.668 -5.422 -0.417 57 HA THR 9 HA THR 9 -17.129 -6.083 -2.608 58 HB THR 9 HB THR 9 -18.072 -3.288 -3.317 59 HG1 THR 9 HG1 THR 9 -19.898 -3.829 -2.471 60 HG21 THR 9 HG21 THR 9 -17.841 -5.924 -4.721 61 HG22 THR 9 HG22 THR 9 -17.475 -4.304 -5.315 62 HG23 THR 9 HG23 THR 9 -19.151 -4.834 -5.175 63 H ILE 10 H ILE 10 -15.022 -4.693 -0.986 64 HA ILE 10 HA ILE 10 -13.222 -4.010 -3.251 65 HB ILE 10 HB ILE 10 -12.450 -1.999 -1.854 66 HG12 ILE 10 HG12 ILE 10 -15.114 -1.720 -0.659 67 HG13 ILE 10 HG13 ILE 10 -14.201 -3.064 0.024 68 HG21 ILE 10 HG21 ILE 10 -15.308 -1.720 -2.768 69 HG22 ILE 10 HG22 ILE 10 -14.013 -2.028 -3.925 70 HG23 ILE 10 HG23 ILE 10 -13.980 -0.571 -2.931 71 HD11 ILE 10 HD11 ILE 10 -13.858 -0.791 1.144 72 HD12 ILE 10 HD12 ILE 10 -13.005 -0.309 -0.322 73 HD13 ILE 10 HD13 ILE 10 -12.393 -1.643 0.657 74 HA PRO 11 HA PRO 11 -10.956 -6.583 -0.321 75 HB2 PRO 11 HB2 PRO 11 -9.300 -7.701 -2.185 76 HB3 PRO 11 HB3 PRO 11 -10.955 -8.270 -1.899 77 HG2 PRO 11 HG2 PRO 11 -9.874 -6.659 -4.120 78 HG3 PRO 11 HG3 PRO 11 -11.246 -7.774 -4.092 79 HD2 PRO 11 HD2 PRO 11 -11.370 -4.970 -4.014 80 HD3 PRO 11 HD3 PRO 11 -12.703 -6.094 -3.683 81 HA PRO 12 HA PRO 12 -7.564 -3.713 0.005 82 HB2 PRO 12 HB2 PRO 12 -6.331 -4.851 2.161 83 HB3 PRO 12 HB3 PRO 12 -7.823 -3.903 2.286 84 HG2 PRO 12 HG2 PRO 12 -7.436 -6.837 2.380 85 HG3 PRO 12 HG3 PRO 12 -8.625 -5.824 3.211 86 HD2 PRO 12 HD2 PRO 12 -9.114 -7.359 0.949 87 HD3 PRO 12 HD3 PRO 12 -10.124 -6.016 1.521 88 H VAL 13 H VAL 13 -6.958 -5.003 -2.135 89 HA VAL 13 HA VAL 13 -4.802 -6.982 -1.873 90 HB VAL 13 HB VAL 13 -5.920 -5.432 -4.239 91 HG11 VAL 13 HG11 VAL 13 -4.124 -7.868 -4.073 92 HG12 VAL 13 HG12 VAL 13 -3.731 -6.308 -4.793 93 HG13 VAL 13 HG13 VAL 13 -4.938 -7.349 -5.549 94 HG21 VAL 13 HG21 VAL 13 -6.599 -8.103 -2.989 95 HG22 VAL 13 HG22 VAL 13 -7.030 -7.714 -4.654 96 HG23 VAL 13 HG23 VAL 13 -7.684 -6.754 -3.327 97 H VAL 14 H VAL 14 -5.024 -3.605 -3.085 98 HA VAL 14 HA VAL 14 -2.244 -3.231 -3.604 99 HB VAL 14 HB VAL 14 -4.168 -1.805 -4.355 100 HG11 VAL 14 HG11 VAL 14 -5.279 -1.773 -2.077 101 HG12 VAL 14 HG12 VAL 14 -5.166 -0.200 -2.866 102 HG13 VAL 14 HG13 VAL 14 -4.047 -0.618 -1.570 103 HG21 VAL 14 HG21 VAL 14 -1.815 -0.990 -4.427 104 HG22 VAL 14 HG22 VAL 14 -2.030 -0.294 -2.821 105 HG23 VAL 14 HG23 VAL 14 -2.970 0.320 -4.181 106 H ALA 15 H ALA 15 -4.117 -2.890 -0.602 107 HA ALA 15 HA ALA 15 -2.036 -1.625 0.959 108 HB1 ALA 15 HB1 ALA 15 -3.527 -2.451 2.844 109 HB2 ALA 15 HB2 ALA 15 -4.499 -3.270 1.621 110 HB3 ALA 15 HB3 ALA 15 -4.365 -1.511 1.608 111 H LEU 16 H LEU 16 -3.011 -5.015 0.427 112 HA LEU 16 HA LEU 16 -1.221 -6.212 2.333 113 HB2 LEU 16 HB2 LEU 16 -3.287 -7.122 1.034 114 HB3 LEU 16 HB3 LEU 16 -2.138 -7.464 -0.259 115 HG LEU 16 HG LEU 16 -0.739 -8.694 1.493 116 HD11 LEU 16 HD11 LEU 16 -3.331 -8.336 3.027 117 HD12 LEU 16 HD12 LEU 16 -1.726 -7.789 3.511 118 HD13 LEU 16 HD13 LEU 16 -2.090 -9.513 3.457 119 HD21 LEU 16 HD21 LEU 16 -2.206 -10.716 1.393 120 HD22 LEU 16 HD22 LEU 16 -2.067 -9.905 -0.166 121 HD23 LEU 16 HD23 LEU 16 -3.523 -9.698 0.809 122 H VAL 17 H VAL 17 -0.863 -5.374 -1.119 123 HA VAL 17 HA VAL 17 1.711 -6.620 -1.506 124 HB VAL 17 HB VAL 17 0.215 -4.352 -2.861 125 HG11 VAL 17 HG11 VAL 17 1.845 -4.938 -4.788 126 HG12 VAL 17 HG12 VAL 17 2.856 -5.654 -3.533 127 HG13 VAL 17 HG13 VAL 17 2.464 -3.936 -3.474 128 HG21 VAL 17 HG21 VAL 17 0.647 -7.287 -3.498 129 HG22 VAL 17 HG22 VAL 17 -0.090 -6.139 -4.616 130 HG23 VAL 17 HG23 VAL 17 -0.877 -6.504 -3.081 131 H VAL 18 H VAL 18 0.739 -3.290 -0.615 132 HA VAL 18 HA VAL 18 3.337 -2.110 -0.568 133 HB VAL 18 HB VAL 18 0.740 -1.598 0.909 134 HG11 VAL 18 HG11 VAL 18 3.365 -0.110 1.037 135 HG12 VAL 18 HG12 VAL 18 2.314 -0.601 2.367 136 HG13 VAL 18 HG13 VAL 18 1.831 0.719 1.303 137 HG21 VAL 18 HG21 VAL 18 2.115 0.027 -1.246 138 HG22 VAL 18 HG22 VAL 18 0.439 0.143 -0.706 139 HG23 VAL 18 HG23 VAL 18 0.976 -1.268 -1.617 140 H MET 19 H MET 19 1.531 -3.900 1.944 141 HA MET 19 HA MET 19 3.376 -3.486 4.103 142 HB2 MET 19 HB2 MET 19 0.936 -4.506 3.907 143 HB3 MET 19 HB3 MET 19 1.812 -6.027 3.735 144 HG2 MET 19 HG2 MET 19 3.083 -5.413 5.845 145 HG3 MET 19 HG3 MET 19 1.947 -4.079 6.049 146 HE1 MET 19 HE1 MET 19 0.249 -5.979 8.683 147 HE2 MET 19 HE2 MET 19 -0.020 -4.485 7.790 148 HE3 MET 19 HE3 MET 19 1.613 -4.929 8.278 149 H SER 20 H SER 20 3.084 -6.161 1.731 150 HA SER 20 HA SER 20 5.357 -7.665 2.651 151 HB2 SER 20 HB2 SER 20 3.632 -7.491 0.212 152 HB3 SER 20 HB3 SER 20 5.145 -8.381 0.078 153 HG SER 20 HG SER 20 2.878 -9.201 1.129 154 H ARG 21 H ARG 21 4.986 -5.218 0.063 155 HA ARG 21 HA ARG 21 7.665 -5.261 -0.917 156 HB2 ARG 21 HB2 ARG 21 5.517 -4.146 -1.816 157 HB3 ARG 21 HB3 ARG 21 5.887 -2.821 -0.713 158 HG2 ARG 21 HG2 ARG 21 8.300 -3.445 -2.075 159 HG3 ARG 21 HG3 ARG 21 7.030 -3.373 -3.297 160 HD2 ARG 21 HD2 ARG 21 7.326 -1.216 -1.189 161 HD3 ARG 21 HD3 ARG 21 8.179 -1.139 -2.743 162 HE ARG 21 HE ARG 21 5.502 -1.754 -3.363 163 HH11 ARG 21 HH11 ARG 21 6.755 0.636 -4.523 164 HH12 ARG 21 HH12 ARG 21 5.888 1.939 -3.784 165 HH21 ARG 21 HH21 ARG 21 4.591 -0.027 -1.226 166 HH22 ARG 21 HH22 ARG 21 4.658 1.564 -1.910 167 H PHE 22 H PHE 22 6.195 -3.543 1.832 168 HA PHE 22 HA PHE 22 8.383 -1.790 2.438 169 HB2 PHE 22 HB2 PHE 22 5.936 -1.873 3.291 170 HB3 PHE 22 HB3 PHE 22 6.514 -3.076 4.442 171 HD1 PHE 22 HD1 PHE 22 6.738 0.453 3.381 172 HD2 PHE 22 HD2 PHE 22 8.027 -2.473 6.250 173 HE1 PHE 22 HE2 PHE 22 7.603 2.263 4.838 174 HE2 PHE 22 HE1 PHE 22 8.892 -0.662 7.708 175 HZ PHE 22 HZ PHE 22 8.681 1.706 7.002 176 H GLY 23 H GLY 23 7.556 -5.051 3.692 177 HA2 GLY 23 HA2 GLY 23 9.918 -5.271 5.345 178 HA3 GLY 23 HA3 GLY 23 8.868 -6.609 4.871 179 H PHE 24 H PHE 24 9.095 -6.334 2.047 180 HA PHE 24 HA PHE 24 11.487 -7.815 1.500 181 HB2 PHE 24 HB2 PHE 24 9.151 -7.386 0.245 182 HB3 PHE 24 HB3 PHE 24 10.128 -6.207 -0.625 183 HD1 PHE 24 HD1 PHE 24 12.297 -6.971 -1.714 184 HD2 PHE 24 HD2 PHE 24 9.351 -9.713 -0.211 185 HE1 PHE 24 HE1 PHE 24 13.291 -8.788 -3.078 186 HE2 PHE 24 HE2 PHE 24 10.345 -11.530 -1.574 187 HZ PHE 24 HZ PHE 24 12.315 -11.067 -3.007 188 H PHE 25 H PHE 25 10.635 -4.417 0.710 189 HA PHE 25 HA PHE 25 13.198 -3.699 -0.366 190 HB2 PHE 25 HB2 PHE 25 10.846 -2.559 -0.445 191 HB3 PHE 25 HB3 PHE 25 11.348 -1.796 1.064 192 HD1 PHE 25 HD1 PHE 25 12.099 -2.152 -2.542 193 HD2 PHE 25 HD2 PHE 25 13.098 -0.124 1.112 194 HE1 PHE 25 HE1 PHE 25 13.446 -0.508 -3.821 195 HE2 PHE 25 HE2 PHE 25 14.441 1.520 -0.168 196 HZ PHE 25 HZ PHE 25 14.617 1.328 -2.634 197 H ALA 26 H ALA 26 11.933 -3.726 2.955 198 HA ALA 26 HA ALA 26 13.968 -2.154 4.210 199 HB1 ALA 26 HB1 ALA 26 13.238 -3.584 6.222 200 HB2 ALA 26 HB2 ALA 26 12.169 -4.421 5.096 201 HB3 ALA 26 HB3 ALA 26 11.962 -2.695 5.390 202 H HIS 27 H HIS 27 13.956 -5.486 3.065 203 HA HIS 27 HA HIS 27 16.586 -6.018 4.378 204 HB2 HIS 27 HB2 HIS 27 14.402 -7.682 3.114 205 HB3 HIS 27 HB3 HIS 27 15.986 -8.372 3.467 206 HD1 HIS 27 HD1 HIS 27 16.258 -9.282 5.776 207 HD2 HIS 27 HD2 HIS 27 13.223 -6.430 5.603 208 HE1 HIS 27 HE1 HIS 27 15.212 -9.207 8.080 209 H LEU 28 H LEU 28 14.999 -5.880 1.185 210 HA LEU 28 HA LEU 28 17.397 -6.678 -0.289 211 HB2 LEU 28 HB2 LEU 28 14.716 -6.650 -0.764 212 HB3 LEU 28 HB3 LEU 28 15.196 -5.180 -1.612 213 HG LEU 28 HG LEU 28 15.262 -7.142 -3.113 214 HD11 LEU 28 HD11 LEU 28 18.094 -6.277 -2.490 215 HD12 LEU 28 HD12 LEU 28 16.928 -5.214 -3.278 216 HD13 LEU 28 HD13 LEU 28 17.415 -6.719 -4.057 217 HD21 LEU 28 HD21 LEU 28 17.599 -8.235 -1.581 218 HD22 LEU 28 HD22 LEU 28 16.487 -9.067 -2.667 219 HD23 LEU 28 HD23 LEU 28 15.968 -8.632 -1.039 220 H LEU 29 H LEU 29 15.701 -3.588 0.324 221 HA LEU 29 HA LEU 29 16.442 -1.360 0.199 222 HB2 LEU 29 HB2 LEU 29 19.029 -2.919 0.363 223 HB3 LEU 29 HB3 LEU 29 19.022 -1.161 0.274 224 HG LEU 29 HG LEU 29 17.083 -1.913 2.220 225 HD11 LEU 29 HD11 LEU 29 18.690 -4.031 2.091 226 HD12 LEU 29 HD12 LEU 29 18.124 -3.413 3.643 227 HD13 LEU 29 HD13 LEU 29 19.739 -3.002 3.066 228 HD21 LEU 29 HD21 LEU 29 18.118 0.138 2.561 229 HD22 LEU 29 HD22 LEU 29 19.712 -0.475 2.120 230 HD23 LEU 29 HD23 LEU 29 19.026 -0.858 3.699 231 HA PRO 30 HA PRO 30 17.106 -0.474 -4.052 232 HB2 PRO 30 HB2 PRO 30 18.320 1.978 -3.975 233 HB3 PRO 30 HB3 PRO 30 16.608 1.736 -3.577 234 HG2 PRO 30 HG2 PRO 30 18.932 2.126 -1.774 235 HG3 PRO 30 HG3 PRO 30 17.260 2.680 -1.600 236 HD2 PRO 30 HD2 PRO 30 18.336 0.515 -0.283 237 HD3 PRO 30 HD3 PRO 30 16.602 0.754 -0.584 238 H ARG 31 H ARG 31 18.733 -2.256 -4.252 239 HA ARG 31 HA ARG 31 21.385 -1.200 -5.052 240 HB2 ARG 31 HB2 ARG 31 21.261 -1.847 -2.539 241 HB3 ARG 31 HB3 ARG 31 21.187 -3.512 -3.116 242 HG2 ARG 31 HG2 ARG 31 23.502 -3.065 -2.723 243 HG3 ARG 31 HG3 ARG 31 23.288 -2.997 -4.472 244 HD2 ARG 31 HD2 ARG 31 24.633 -1.074 -3.774 245 HD3 ARG 31 HD3 ARG 31 23.034 -0.484 -4.264 246 HE ARG 31 HE ARG 31 23.149 -1.178 -1.431 247 HH11 ARG 31 HH11 ARG 31 21.554 1.073 -2.702 248 HH12 ARG 31 HH12 ARG 31 22.390 2.467 -2.102 249 HH21 ARG 31 HH21 ARG 31 25.209 0.680 -1.126 250 HH22 ARG 31 HH22 ARG 31 24.469 2.244 -1.205 Start of MODEL 13 1 HA ASP 1 HA ASP 1 -3.352 12.953 -7.080 2 HB2 ASP 1 HB2 ASP 1 -4.040 15.881 -6.851 3 HB3 ASP 1 HB3 ASP 1 -3.553 14.972 -5.421 4 H THR 2 H THR 2 -5.003 11.397 -6.689 5 HA THR 2 HA THR 2 -7.033 12.182 -4.699 6 HB THR 2 HB THR 2 -8.159 12.744 -6.778 7 HG1 THR 2 HG1 THR 2 -9.877 11.768 -6.101 8 HG21 THR 2 HG21 THR 2 -7.109 11.655 -8.532 9 HG22 THR 2 HG22 THR 2 -8.544 10.646 -8.361 10 HG23 THR 2 HG23 THR 2 -7.012 10.124 -7.664 11 H GLU 3 H GLU 3 -7.904 10.327 -3.592 12 HA GLU 3 HA GLU 3 -6.406 7.780 -4.119 13 HB2 GLU 3 HB2 GLU 3 -7.553 9.056 -1.616 14 HB3 GLU 3 HB3 GLU 3 -6.881 7.427 -1.649 15 HG2 GLU 3 HG2 GLU 3 -4.828 8.304 -1.369 16 HG3 GLU 3 HG3 GLU 3 -4.985 9.101 -2.934 17 H ILE 4 H ILE 4 -9.014 8.618 -5.375 18 HA ILE 4 HA ILE 4 -11.138 7.703 -5.834 19 HB ILE 4 HB ILE 4 -9.863 5.226 -4.623 20 HG12 ILE 4 HG12 ILE 4 -9.620 5.464 -7.509 21 HG13 ILE 4 HG13 ILE 4 -8.829 6.822 -6.709 22 HG21 ILE 4 HG21 ILE 4 -12.196 4.911 -5.198 23 HG22 ILE 4 HG22 ILE 4 -11.220 4.112 -6.429 24 HG23 ILE 4 HG23 ILE 4 -11.958 5.677 -6.768 25 HD11 ILE 4 HD11 ILE 4 -7.369 4.768 -7.058 26 HD12 ILE 4 HD12 ILE 4 -8.389 3.944 -5.877 27 HD13 ILE 4 HD13 ILE 4 -7.453 5.360 -5.398 28 H ILE 5 H ILE 5 -11.323 9.164 -3.568 29 HA ILE 5 HA ILE 5 -12.584 9.468 -1.609 30 HB ILE 5 HB ILE 5 -13.881 6.925 -2.653 31 HG12 ILE 5 HG12 ILE 5 -15.464 9.207 -3.163 32 HG13 ILE 5 HG13 ILE 5 -13.823 9.657 -3.626 33 HG21 ILE 5 HG21 ILE 5 -14.757 9.009 -0.640 34 HG22 ILE 5 HG22 ILE 5 -14.617 7.267 -0.400 35 HG23 ILE 5 HG23 ILE 5 -15.890 7.915 -1.433 36 HD11 ILE 5 HD11 ILE 5 -14.811 6.967 -4.471 37 HD12 ILE 5 HD12 ILE 5 -13.710 8.069 -5.297 38 HD13 ILE 5 HD13 ILE 5 -15.446 8.378 -5.318 39 H GLY 6 H GLY 6 -12.941 5.971 -1.332 40 HA2 GLY 6 HA2 GLY 6 -11.872 4.423 0.099 41 HA3 GLY 6 HA3 GLY 6 -10.669 5.657 0.475 42 H GLY 7 H GLY 7 -14.233 5.603 0.876 43 HA2 GLY 7 HA2 GLY 7 -13.952 6.775 3.553 44 HA3 GLY 7 HA3 GLY 7 -15.472 6.388 2.746 45 H LEU 8 H LEU 8 -16.211 4.166 2.790 46 HA LEU 8 HA LEU 8 -15.018 2.569 5.037 47 HB2 LEU 8 HB2 LEU 8 -17.849 2.920 4.000 48 HB3 LEU 8 HB3 LEU 8 -17.409 1.691 5.186 49 HG LEU 8 HG LEU 8 -16.800 4.630 5.581 50 HD11 LEU 8 HD11 LEU 8 -18.801 4.787 6.934 51 HD12 LEU 8 HD12 LEU 8 -19.145 3.072 6.706 52 HD13 LEU 8 HD13 LEU 8 -19.270 4.184 5.343 53 HD21 LEU 8 HD21 LEU 8 -15.460 3.266 7.005 54 HD22 LEU 8 HD22 LEU 8 -16.795 2.159 7.328 55 HD23 LEU 8 HD23 LEU 8 -16.813 3.785 8.011 56 H THR 9 H THR 9 -14.076 2.388 2.298 57 HA THR 9 HA THR 9 -14.749 -0.465 1.742 58 HB THR 9 HB THR 9 -14.609 1.573 -0.484 59 HG1 THR 9 HG1 THR 9 -16.296 2.426 0.484 60 HG21 THR 9 HG21 THR 9 -15.925 -0.077 -1.675 61 HG22 THR 9 HG22 THR 9 -16.136 -1.027 -0.204 62 HG23 THR 9 HG23 THR 9 -14.541 -0.888 -0.944 63 H ILE 10 H ILE 10 -12.402 0.193 2.951 64 HA ILE 10 HA ILE 10 -10.268 0.914 1.116 65 HB ILE 10 HB ILE 10 -10.288 1.255 3.598 66 HG12 ILE 10 HG12 ILE 10 -7.983 -0.545 2.839 67 HG13 ILE 10 HG13 ILE 10 -8.177 1.055 2.122 68 HG21 ILE 10 HG21 ILE 10 -11.283 -1.096 4.000 69 HG22 ILE 10 HG22 ILE 10 -10.035 -0.546 5.117 70 HG23 ILE 10 HG23 ILE 10 -9.629 -1.683 3.833 71 HD11 ILE 10 HD11 ILE 10 -7.265 1.991 3.951 72 HD12 ILE 10 HD12 ILE 10 -7.067 0.393 4.669 73 HD13 ILE 10 HD13 ILE 10 -8.550 1.306 4.946 74 HA PRO 11 HA PRO 11 -9.779 -3.158 -0.591 75 HB2 PRO 11 HB2 PRO 11 -7.623 -2.597 -2.172 76 HB3 PRO 11 HB3 PRO 11 -9.272 -2.079 -2.569 77 HG2 PRO 11 HG2 PRO 11 -7.001 -0.508 -1.543 78 HG3 PRO 11 HG3 PRO 11 -8.377 0.002 -2.528 79 HD2 PRO 11 HD2 PRO 11 -8.045 0.405 0.237 80 HD3 PRO 11 HD3 PRO 11 -9.527 0.669 -0.704 81 HA PRO 12 HA PRO 12 -6.610 -4.509 2.310 82 HB2 PRO 12 HB2 PRO 12 -7.144 -7.184 2.085 83 HB3 PRO 12 HB3 PRO 12 -8.120 -6.079 3.074 84 HG2 PRO 12 HG2 PRO 12 -8.668 -7.183 0.367 85 HG3 PRO 12 HG3 PRO 12 -9.780 -6.871 1.708 86 HD2 PRO 12 HD2 PRO 12 -9.523 -5.236 -0.471 87 HD3 PRO 12 HD3 PRO 12 -10.075 -4.684 1.125 88 H VAL 13 H VAL 13 -7.127 -6.066 -0.876 89 HA VAL 13 HA VAL 13 -4.568 -7.327 -1.113 90 HB VAL 13 HB VAL 13 -6.533 -6.230 -3.156 91 HG11 VAL 13 HG11 VAL 13 -4.548 -6.508 -4.398 92 HG12 VAL 13 HG12 VAL 13 -5.371 -8.054 -4.602 93 HG13 VAL 13 HG13 VAL 13 -4.043 -7.908 -3.452 94 HG21 VAL 13 HG21 VAL 13 -7.057 -8.736 -3.321 95 HG22 VAL 13 HG22 VAL 13 -7.579 -7.931 -1.842 96 HG23 VAL 13 HG23 VAL 13 -6.123 -8.924 -1.836 97 H VAL 14 H VAL 14 -5.691 -4.092 -2.195 98 HA VAL 14 HA VAL 14 -3.316 -3.231 -3.495 99 HB VAL 14 HB VAL 14 -5.445 -1.768 -1.895 100 HG11 VAL 14 HG11 VAL 14 -3.150 -0.729 -3.561 101 HG12 VAL 14 HG12 VAL 14 -3.652 -0.223 -1.948 102 HG13 VAL 14 HG13 VAL 14 -4.628 0.211 -3.350 103 HG21 VAL 14 HG21 VAL 14 -5.012 -2.090 -4.884 104 HG22 VAL 14 HG22 VAL 14 -6.361 -1.257 -4.113 105 HG23 VAL 14 HG23 VAL 14 -6.183 -3.002 -3.931 106 H ALA 15 H ALA 15 -4.292 -2.812 -0.066 107 HA ALA 15 HA ALA 15 -1.860 -1.544 0.805 108 HB1 ALA 15 HB1 ALA 15 -2.741 -2.220 3.053 109 HB2 ALA 15 HB2 ALA 15 -3.945 -3.225 2.245 110 HB3 ALA 15 HB3 ALA 15 -3.978 -1.473 2.043 111 H LEU 16 H LEU 16 -2.907 -4.946 0.648 112 HA LEU 16 HA LEU 16 -0.724 -6.155 2.025 113 HB2 LEU 16 HB2 LEU 16 -2.969 -6.881 0.349 114 HB3 LEU 16 HB3 LEU 16 -1.561 -7.834 -0.108 115 HG LEU 16 HG LEU 16 -2.910 -8.917 1.690 116 HD11 LEU 16 HD11 LEU 16 -0.961 -9.206 3.302 117 HD12 LEU 16 HD12 LEU 16 -0.102 -7.996 2.348 118 HD13 LEU 16 HD13 LEU 16 -0.594 -9.519 1.606 119 HD21 LEU 16 HD21 LEU 16 -1.925 -6.768 3.558 120 HD22 LEU 16 HD22 LEU 16 -3.229 -7.931 3.798 121 HD23 LEU 16 HD23 LEU 16 -3.455 -6.567 2.702 122 H VAL 17 H VAL 17 -1.094 -5.233 -1.411 123 HA VAL 17 HA VAL 17 1.385 -6.347 -2.353 124 HB VAL 17 HB VAL 17 -0.328 -4.005 -3.264 125 HG11 VAL 17 HG11 VAL 17 2.103 -5.311 -4.460 126 HG12 VAL 17 HG12 VAL 17 1.681 -3.600 -4.389 127 HG13 VAL 17 HG13 VAL 17 0.849 -4.667 -5.521 128 HG21 VAL 17 HG21 VAL 17 -0.271 -6.456 -4.872 129 HG22 VAL 17 HG22 VAL 17 -1.655 -5.548 -4.264 130 HG23 VAL 17 HG23 VAL 17 -0.859 -6.736 -3.233 131 H VAL 18 H VAL 18 0.533 -3.138 -1.032 132 HA VAL 18 HA VAL 18 3.160 -1.961 -1.361 133 HB VAL 18 HB VAL 18 0.791 -1.371 0.455 134 HG11 VAL 18 HG11 VAL 18 3.260 0.288 -0.145 135 HG12 VAL 18 HG12 VAL 18 2.796 -0.370 1.423 136 HG13 VAL 18 HG13 VAL 18 1.823 0.897 0.676 137 HG21 VAL 18 HG21 VAL 18 0.180 -1.095 -1.846 138 HG22 VAL 18 HG22 VAL 18 1.716 -0.318 -2.231 139 HG23 VAL 18 HG23 VAL 18 0.525 0.524 -1.241 140 H MET 19 H MET 19 1.485 -3.557 1.366 141 HA MET 19 HA MET 19 3.536 -3.301 3.337 142 HB2 MET 19 HB2 MET 19 1.268 -5.214 2.782 143 HB3 MET 19 HB3 MET 19 2.337 -5.481 4.159 144 HG2 MET 19 HG2 MET 19 1.616 -3.579 5.266 145 HG3 MET 19 HG3 MET 19 1.196 -2.741 3.772 146 HE1 MET 19 HE1 MET 19 0.494 -5.378 6.292 147 HE2 MET 19 HE2 MET 19 0.098 -6.467 4.964 148 HE3 MET 19 HE3 MET 19 -1.174 -5.916 6.051 149 H SER 20 H SER 20 2.956 -5.826 0.864 150 HA SER 20 HA SER 20 5.005 -7.655 1.625 151 HB2 SER 20 HB2 SER 20 3.118 -7.898 -0.076 152 HB3 SER 20 HB3 SER 20 4.113 -6.970 -1.192 153 HG SER 20 HG SER 20 5.664 -8.570 -1.098 154 H ARG 21 H ARG 21 5.121 -4.835 -0.580 155 HA ARG 21 HA ARG 21 7.861 -5.112 -1.384 156 HB2 ARG 21 HB2 ARG 21 5.668 -3.172 -1.513 157 HB3 ARG 21 HB3 ARG 21 7.242 -2.388 -1.378 158 HG2 ARG 21 HG2 ARG 21 7.147 -2.667 -3.671 159 HG3 ARG 21 HG3 ARG 21 7.908 -4.191 -3.218 160 HD2 ARG 21 HD2 ARG 21 6.180 -5.021 -4.529 161 HD3 ARG 21 HD3 ARG 21 5.322 -4.933 -2.978 162 HE ARG 21 HE ARG 21 4.208 -2.949 -3.736 163 HH11 ARG 21 HH11 ARG 21 4.349 -4.559 -6.350 164 HH12 ARG 21 HH12 ARG 21 4.857 -3.330 -7.459 165 HH21 ARG 21 HH21 ARG 21 5.858 -1.129 -4.958 166 HH22 ARG 21 HH22 ARG 21 5.716 -1.377 -6.667 167 H PHE 22 H PHE 22 6.336 -3.378 1.342 168 HA PHE 22 HA PHE 22 8.662 -2.074 2.364 169 HB2 PHE 22 HB2 PHE 22 6.095 -1.930 2.914 170 HB3 PHE 22 HB3 PHE 22 6.462 -3.189 4.094 171 HD1 PHE 22 HD1 PHE 22 8.005 -2.757 5.968 172 HD2 PHE 22 HD2 PHE 22 6.945 0.329 3.173 173 HE1 PHE 22 HE2 PHE 22 8.901 -1.042 7.520 174 HE2 PHE 22 HE1 PHE 22 7.840 2.042 4.725 175 HZ PHE 22 HZ PHE 22 8.818 1.358 6.899 176 H GLY 23 H GLY 23 7.318 -5.328 2.999 177 HA2 GLY 23 HA2 GLY 23 9.128 -6.086 5.072 178 HA3 GLY 23 HA3 GLY 23 8.289 -7.214 4.006 179 H PHE 24 H PHE 24 9.370 -6.286 1.528 180 HA PHE 24 HA PHE 24 11.946 -7.658 1.538 181 HB2 PHE 24 HB2 PHE 24 9.905 -6.890 -0.296 182 HB3 PHE 24 HB3 PHE 24 11.404 -6.154 -0.864 183 HD1 PHE 24 HD1 PHE 24 13.469 -7.630 -1.128 184 HD2 PHE 24 HD2 PHE 24 9.522 -9.217 -0.538 185 HE1 PHE 24 HE1 PHE 24 14.226 -9.829 -1.989 186 HE2 PHE 24 HE2 PHE 24 10.278 -11.416 -1.398 187 HZ PHE 24 HZ PHE 24 12.629 -11.722 -2.124 188 H PHE 25 H PHE 25 10.870 -4.274 1.091 189 HA PHE 25 HA PHE 25 13.404 -3.095 0.541 190 HB2 PHE 25 HB2 PHE 25 10.697 -2.306 1.313 191 HB3 PHE 25 HB3 PHE 25 11.915 -1.229 1.995 192 HD1 PHE 25 HD1 PHE 25 13.798 -0.422 0.365 193 HD2 PHE 25 HD2 PHE 25 10.020 -2.017 -0.918 194 HE1 PHE 25 HE2 PHE 25 14.093 0.656 -1.847 195 HE2 PHE 25 HE1 PHE 25 10.317 -0.938 -3.130 196 HZ PHE 25 HZ PHE 25 12.353 0.400 -3.594 197 H ALA 26 H ALA 26 11.924 -4.064 3.613 198 HA ALA 26 HA ALA 26 13.550 -2.634 5.449 199 HB1 ALA 26 HB1 ALA 26 12.929 -4.511 6.972 200 HB2 ALA 26 HB2 ALA 26 12.374 -5.431 5.574 201 HB3 ALA 26 HB3 ALA 26 11.551 -3.940 6.029 202 H HIS 27 H HIS 27 14.158 -5.747 3.795 203 HA HIS 27 HA HIS 27 16.960 -5.716 4.873 204 HB2 HIS 27 HB2 HIS 27 15.039 -7.870 3.972 205 HB3 HIS 27 HB3 HIS 27 16.767 -8.194 4.110 206 HD1 HIS 27 HD1 HIS 27 13.759 -7.248 6.190 207 HD2 HIS 27 HD2 HIS 27 17.728 -8.397 6.756 208 HE1 HIS 27 HE1 HIS 27 14.031 -7.694 8.669 209 H LEU 28 H LEU 28 16.072 -4.111 2.561 210 HA LEU 28 HA LEU 28 17.955 -5.202 0.533 211 HB2 LEU 28 HB2 LEU 28 15.664 -6.066 0.045 212 HB3 LEU 28 HB3 LEU 28 15.080 -4.405 -0.037 213 HG LEU 28 HG LEU 28 17.064 -4.146 -1.784 214 HD11 LEU 28 HD11 LEU 28 17.896 -6.457 -1.431 215 HD12 LEU 28 HD12 LEU 28 17.374 -6.203 -3.096 216 HD13 LEU 28 HD13 LEU 28 16.340 -7.089 -1.974 217 HD21 LEU 28 HD21 LEU 28 14.636 -3.827 -2.223 218 HD22 LEU 28 HD22 LEU 28 14.464 -5.568 -2.450 219 HD23 LEU 28 HD23 LEU 28 15.448 -4.625 -3.570 220 H LEU 29 H LEU 29 15.618 -2.559 1.192 221 HA LEU 29 HA LEU 29 15.834 -0.226 1.071 222 HB2 LEU 29 HB2 LEU 29 18.754 -1.051 1.111 223 HB3 LEU 29 HB3 LEU 29 18.216 0.623 1.223 224 HG LEU 29 HG LEU 29 17.079 -1.447 3.090 225 HD11 LEU 29 HD11 LEU 29 19.664 0.092 3.486 226 HD12 LEU 29 HD12 LEU 29 19.536 -1.650 3.247 227 HD13 LEU 29 HD13 LEU 29 18.867 -0.908 4.700 228 HD21 LEU 29 HD21 LEU 29 16.039 0.776 3.018 229 HD22 LEU 29 HD22 LEU 29 17.608 1.539 3.272 230 HD23 LEU 29 HD23 LEU 29 16.885 0.563 4.550 231 HA PRO 30 HA PRO 30 16.130 0.657 -3.218 232 HB2 PRO 30 HB2 PRO 30 16.366 3.382 -3.178 233 HB3 PRO 30 HB3 PRO 30 14.855 2.536 -2.789 234 HG2 PRO 30 HG2 PRO 30 16.849 3.779 -0.977 235 HG3 PRO 30 HG3 PRO 30 15.090 3.681 -0.825 236 HD2 PRO 30 HD2 PRO 30 16.874 2.083 0.537 237 HD3 PRO 30 HD3 PRO 30 15.173 1.669 0.228 238 H ARG 31 H ARG 31 18.273 -0.394 -3.450 239 HA ARG 31 HA ARG 31 20.521 -0.413 -4.157 240 HB2 ARG 31 HB2 ARG 31 19.227 1.508 -5.506 241 HB3 ARG 31 HB3 ARG 31 20.370 2.535 -4.641 242 HG2 ARG 31 HG2 ARG 31 22.082 0.639 -5.465 243 HG3 ARG 31 HG3 ARG 31 20.881 0.487 -6.747 244 HD2 ARG 31 HD2 ARG 31 22.184 3.110 -5.923 245 HD3 ARG 31 HD3 ARG 31 22.657 2.144 -7.335 246 HE ARG 31 HE ARG 31 20.072 3.576 -7.012 247 HH11 ARG 31 HH11 ARG 31 21.690 4.160 -9.380 248 HH12 ARG 31 HH12 ARG 31 21.012 3.134 -10.598 249 HH21 ARG 31 HH21 ARG 31 19.376 1.076 -8.322 250 HH22 ARG 31 HH22 ARG 31 19.695 1.380 -9.997 Start of MODEL 14 1 HA ASP 1 HA ASP 1 -5.657 6.011 8.383 2 HB2 ASP 1 HB2 ASP 1 -8.141 4.546 7.879 3 HB3 ASP 1 HB3 ASP 1 -6.867 4.091 6.749 4 H THR 2 H THR 2 -5.168 4.802 5.912 5 HA THR 2 HA THR 2 -4.732 7.109 4.187 6 HB THR 2 HB THR 2 -3.815 5.239 2.685 7 HG1 THR 2 HG1 THR 2 -3.947 3.223 3.386 8 HG21 THR 2 HG21 THR 2 -1.873 4.906 4.079 9 HG22 THR 2 HG22 THR 2 -2.804 5.241 5.538 10 HG23 THR 2 HG23 THR 2 -2.481 6.534 4.383 11 H GLU 3 H GLU 3 -7.002 7.760 3.810 12 HA GLU 3 HA GLU 3 -8.721 5.918 2.256 13 HB2 GLU 3 HB2 GLU 3 -9.228 7.744 4.162 14 HB3 GLU 3 HB3 GLU 3 -9.390 8.790 2.752 15 HG2 GLU 3 HG2 GLU 3 -11.120 7.430 1.820 16 HG3 GLU 3 HG3 GLU 3 -10.801 6.122 2.961 17 H ILE 4 H ILE 4 -6.734 6.107 0.582 18 HA ILE 4 HA ILE 4 -6.763 8.526 -1.092 19 HB ILE 4 HB ILE 4 -5.476 5.782 -1.341 20 HG12 ILE 4 HG12 ILE 4 -3.671 8.005 -0.979 21 HG13 ILE 4 HG13 ILE 4 -4.895 8.035 0.290 22 HG21 ILE 4 HG21 ILE 4 -3.958 7.117 -2.966 23 HG22 ILE 4 HG22 ILE 4 -5.293 8.266 -3.045 24 HG23 ILE 4 HG23 ILE 4 -5.536 6.595 -3.556 25 HD11 ILE 4 HD11 ILE 4 -3.138 5.678 -0.454 26 HD12 ILE 4 HD12 ILE 4 -4.431 5.625 0.744 27 HD13 ILE 4 HD13 ILE 4 -3.021 6.649 1.015 28 H ILE 5 H ILE 5 -7.873 5.141 -1.384 29 HA ILE 5 HA ILE 5 -9.809 6.015 -3.482 30 HB ILE 5 HB ILE 5 -9.167 3.823 -4.671 31 HG12 ILE 5 HG12 ILE 5 -6.547 4.103 -3.212 32 HG13 ILE 5 HG13 ILE 5 -7.833 3.113 -2.522 33 HG21 ILE 5 HG21 ILE 5 -7.387 4.889 -5.888 34 HG22 ILE 5 HG22 ILE 5 -6.972 5.902 -4.506 35 HG23 ILE 5 HG23 ILE 5 -8.490 6.163 -5.365 36 HD11 ILE 5 HD11 ILE 5 -6.402 1.694 -3.886 37 HD12 ILE 5 HD12 ILE 5 -6.577 2.785 -5.261 38 HD13 ILE 5 HD13 ILE 5 -7.965 1.863 -4.686 39 H GLY 6 H GLY 6 -10.943 5.775 -1.185 40 HA2 GLY 6 HA2 GLY 6 -12.315 3.159 -1.227 41 HA3 GLY 6 HA3 GLY 6 -11.481 3.567 0.272 42 H GLY 7 H GLY 7 -12.687 4.637 1.760 43 HA2 GLY 7 HA2 GLY 7 -14.116 6.551 2.355 44 HA3 GLY 7 HA3 GLY 7 -14.940 6.353 0.806 45 H LEU 8 H LEU 8 -15.672 3.817 0.629 46 HA LEU 8 HA LEU 8 -17.060 3.108 3.192 47 HB2 LEU 8 HB2 LEU 8 -18.158 4.173 0.800 48 HB3 LEU 8 HB3 LEU 8 -18.631 2.476 0.851 49 HG LEU 8 HG LEU 8 -18.898 4.195 3.309 50 HD11 LEU 8 HD11 LEU 8 -20.892 3.949 1.035 51 HD12 LEU 8 HD12 LEU 8 -20.062 5.422 1.536 52 HD13 LEU 8 HD13 LEU 8 -21.239 4.664 2.609 53 HD21 LEU 8 HD21 LEU 8 -20.713 2.568 3.776 54 HD22 LEU 8 HD22 LEU 8 -19.169 1.756 3.516 55 HD23 LEU 8 HD23 LEU 8 -20.384 1.772 2.237 56 H THR 9 H THR 9 -14.728 2.064 1.286 57 HA THR 9 HA THR 9 -15.126 -0.750 1.864 58 HB THR 9 HB THR 9 -16.618 -0.695 -0.002 59 HG1 THR 9 HG1 THR 9 -14.129 -1.388 -1.156 60 HG21 THR 9 HG21 THR 9 -15.449 0.249 -2.252 61 HG22 THR 9 HG22 THR 9 -14.679 1.292 -1.058 62 HG23 THR 9 HG23 THR 9 -16.437 1.251 -1.190 63 H ILE 10 H ILE 10 -13.038 -0.755 2.705 64 HA ILE 10 HA ILE 10 -10.789 0.448 1.251 65 HB ILE 10 HB ILE 10 -9.506 -0.388 3.207 66 HG12 ILE 10 HG12 ILE 10 -11.617 -1.300 4.884 67 HG13 ILE 10 HG13 ILE 10 -11.727 -2.220 3.384 68 HG21 ILE 10 HG21 ILE 10 -11.864 0.616 4.620 69 HG22 ILE 10 HG22 ILE 10 -11.492 1.550 3.170 70 HG23 ILE 10 HG23 ILE 10 -10.273 1.352 4.427 71 HD11 ILE 10 HD11 ILE 10 -9.132 -1.838 4.896 72 HD12 ILE 10 HD12 ILE 10 -9.448 -2.958 3.570 73 HD13 ILE 10 HD13 ILE 10 -10.197 -3.222 5.145 74 HA PRO 11 HA PRO 11 -9.973 -3.330 -0.972 75 HB2 PRO 11 HB2 PRO 11 -7.854 -2.385 -2.414 76 HB3 PRO 11 HB3 PRO 11 -9.538 -1.984 -2.799 77 HG2 PRO 11 HG2 PRO 11 -7.459 -0.339 -1.497 78 HG3 PRO 11 HG3 PRO 11 -8.825 0.151 -2.507 79 HD2 PRO 11 HD2 PRO 11 -8.691 0.317 0.280 80 HD3 PRO 11 HD3 PRO 11 -10.159 0.458 -0.709 81 HA PRO 12 HA PRO 12 -6.702 -4.545 1.909 82 HB2 PRO 12 HB2 PRO 12 -7.223 -7.226 1.800 83 HB3 PRO 12 HB3 PRO 12 -8.161 -6.096 2.797 84 HG2 PRO 12 HG2 PRO 12 -8.843 -7.328 0.186 85 HG3 PRO 12 HG3 PRO 12 -9.889 -6.917 1.552 86 HD2 PRO 12 HD2 PRO 12 -9.661 -5.431 -0.761 87 HD3 PRO 12 HD3 PRO 12 -10.245 -4.806 0.795 88 H VAL 13 H VAL 13 -7.323 -5.881 -1.324 89 HA VAL 13 HA VAL 13 -4.927 -7.400 -1.638 90 HB VAL 13 HB VAL 13 -6.962 -7.492 -3.069 91 HG11 VAL 13 HG11 VAL 13 -5.946 -4.966 -4.384 92 HG12 VAL 13 HG12 VAL 13 -7.204 -4.944 -3.147 93 HG13 VAL 13 HG13 VAL 13 -7.475 -5.798 -4.665 94 HG21 VAL 13 HG21 VAL 13 -4.410 -6.809 -4.561 95 HG22 VAL 13 HG22 VAL 13 -5.774 -7.713 -5.222 96 HG23 VAL 13 HG23 VAL 13 -4.822 -8.392 -3.901 97 H VAL 14 H VAL 14 -5.559 -3.939 -2.388 98 HA VAL 14 HA VAL 14 -2.879 -3.504 -3.448 99 HB VAL 14 HB VAL 14 -3.570 -1.125 -3.393 100 HG11 VAL 14 HG11 VAL 14 -4.391 -2.761 -5.160 101 HG12 VAL 14 HG12 VAL 14 -5.367 -1.306 -4.959 102 HG13 VAL 14 HG13 VAL 14 -5.909 -2.833 -4.264 103 HG21 VAL 14 HG21 VAL 14 -5.837 -0.555 -2.536 104 HG22 VAL 14 HG22 VAL 14 -4.760 -1.101 -1.252 105 HG23 VAL 14 HG23 VAL 14 -5.987 -2.190 -1.897 106 H ALA 15 H ALA 15 -4.416 -3.105 -0.267 107 HA ALA 15 HA ALA 15 -2.243 -1.682 0.994 108 HB1 ALA 15 HB1 ALA 15 -3.430 -2.367 3.053 109 HB2 ALA 15 HB2 ALA 15 -4.366 -3.540 2.126 110 HB3 ALA 15 HB3 ALA 15 -4.576 -1.813 1.831 111 H LEU 16 H LEU 16 -3.033 -5.143 0.647 112 HA LEU 16 HA LEU 16 -0.925 -6.154 2.330 113 HB2 LEU 16 HB2 LEU 16 -3.044 -7.292 1.440 114 HB3 LEU 16 HB3 LEU 16 -2.176 -7.497 -0.081 115 HG LEU 16 HG LEU 16 -0.294 -8.500 1.481 116 HD11 LEU 16 HD11 LEU 16 -1.529 -9.828 3.328 117 HD12 LEU 16 HD12 LEU 16 -2.814 -8.634 3.138 118 HD13 LEU 16 HD13 LEU 16 -1.200 -8.123 3.633 119 HD21 LEU 16 HD21 LEU 16 -0.967 -10.568 0.719 120 HD22 LEU 16 HD22 LEU 16 -2.046 -9.570 -0.254 121 HD23 LEU 16 HD23 LEU 16 -2.639 -10.328 1.224 122 H VAL 17 H VAL 17 -1.105 -5.455 -1.173 123 HA VAL 17 HA VAL 17 1.457 -6.534 -1.894 124 HB VAL 17 HB VAL 17 -0.373 -4.397 -3.022 125 HG11 VAL 17 HG11 VAL 17 1.050 -4.717 -5.138 126 HG12 VAL 17 HG12 VAL 17 2.277 -5.407 -4.075 127 HG13 VAL 17 HG13 VAL 17 1.758 -3.736 -3.855 128 HG21 VAL 17 HG21 VAL 17 -1.066 -6.816 -3.049 129 HG22 VAL 17 HG22 VAL 17 0.363 -7.167 -4.021 130 HG23 VAL 17 HG23 VAL 17 -0.901 -6.116 -4.659 131 H VAL 18 H VAL 18 0.457 -3.269 -0.827 132 HA VAL 18 HA VAL 18 3.021 -2.000 -1.121 133 HB VAL 18 HB VAL 18 0.568 -1.505 0.594 134 HG11 VAL 18 HG11 VAL 18 2.386 -0.468 1.792 135 HG12 VAL 18 HG12 VAL 18 1.552 0.808 0.906 136 HG13 VAL 18 HG13 VAL 18 3.080 0.168 0.300 137 HG21 VAL 18 HG21 VAL 18 0.052 0.171 -1.042 138 HG22 VAL 18 HG22 VAL 18 0.510 -1.272 -1.946 139 HG23 VAL 18 HG23 VAL 18 1.657 0.054 -1.764 140 H MET 19 H MET 19 1.506 -3.763 1.589 141 HA MET 19 HA MET 19 3.546 -3.240 3.549 142 HB2 MET 19 HB2 MET 19 1.126 -4.190 3.723 143 HB3 MET 19 HB3 MET 19 1.875 -5.749 3.375 144 HG2 MET 19 HG2 MET 19 3.066 -5.780 5.370 145 HG3 MET 19 HG3 MET 19 3.069 -4.022 5.517 146 HE1 MET 19 HE1 MET 19 -0.212 -2.988 6.873 147 HE2 MET 19 HE2 MET 19 0.967 -2.676 5.602 148 HE3 MET 19 HE3 MET 19 1.504 -2.833 7.272 149 H SER 20 H SER 20 3.096 -5.920 1.211 150 HA SER 20 HA SER 20 5.315 -7.528 2.035 151 HB2 SER 20 HB2 SER 20 3.311 -7.906 0.373 152 HB3 SER 20 HB3 SER 20 4.417 -7.245 -0.828 153 HG SER 20 HG SER 20 5.884 -8.879 -0.300 154 H ARG 21 H ARG 21 5.085 -4.888 -0.369 155 HA ARG 21 HA ARG 21 7.792 -5.023 -1.318 156 HB2 ARG 21 HB2 ARG 21 5.708 -3.799 -2.234 157 HB3 ARG 21 HB3 ARG 21 6.089 -2.531 -1.068 158 HG2 ARG 21 HG2 ARG 21 8.487 -3.287 -2.486 159 HG3 ARG 21 HG3 ARG 21 7.216 -2.888 -3.643 160 HD2 ARG 21 HD2 ARG 21 7.715 -1.086 -1.271 161 HD3 ARG 21 HD3 ARG 21 8.700 -0.937 -2.741 162 HE ARG 21 HE ARG 21 5.934 -1.101 -3.482 163 HH11 ARG 21 HH11 ARG 21 7.663 0.917 -4.709 164 HH12 ARG 21 HH12 ARG 21 7.121 2.400 -3.998 165 HH21 ARG 21 HH21 ARG 21 5.465 0.837 -1.370 166 HH22 ARG 21 HH22 ARG 21 5.870 2.355 -2.099 167 H PHE 22 H PHE 22 6.277 -3.277 1.394 168 HA PHE 22 HA PHE 22 8.491 -1.655 2.176 169 HB2 PHE 22 HB2 PHE 22 5.998 -1.725 2.919 170 HB3 PHE 22 HB3 PHE 22 6.523 -2.954 4.069 171 HD1 PHE 22 HD1 PHE 22 6.928 0.581 3.029 172 HD2 PHE 22 HD2 PHE 22 7.871 -2.388 5.987 173 HE1 PHE 22 HE1 PHE 22 7.760 2.357 4.547 174 HE2 PHE 22 HE2 PHE 22 8.704 -0.612 7.504 175 HZ PHE 22 HZ PHE 22 8.649 1.761 6.784 176 H GLY 23 H GLY 23 7.573 -4.982 3.132 177 HA2 GLY 23 HA2 GLY 23 9.743 -5.349 4.993 178 HA3 GLY 23 HA3 GLY 23 8.796 -6.644 4.259 179 H PHE 24 H PHE 24 9.422 -5.787 1.503 180 HA PHE 24 HA PHE 24 11.772 -7.344 1.016 181 HB2 PHE 24 HB2 PHE 24 9.693 -6.240 -0.427 182 HB3 PHE 24 HB3 PHE 24 11.068 -5.283 -0.975 183 HD1 PHE 24 HD1 PHE 24 13.199 -6.564 -1.691 184 HD2 PHE 24 HD2 PHE 24 9.342 -8.408 -1.276 185 HE1 PHE 24 HE2 PHE 24 13.946 -8.447 -3.120 186 HE2 PHE 24 HE1 PHE 24 10.090 -10.292 -2.706 187 HZ PHE 24 HZ PHE 24 12.392 -10.311 -3.627 188 H PHE 25 H PHE 25 11.316 -3.784 0.809 189 HA PHE 25 HA PHE 25 14.062 -3.130 0.331 190 HB2 PHE 25 HB2 PHE 25 11.802 -1.774 0.212 191 HB3 PHE 25 HB3 PHE 25 12.183 -1.365 1.885 192 HD1 PHE 25 HD1 PHE 25 14.227 -0.094 2.442 193 HD2 PHE 25 HD2 PHE 25 13.146 -0.940 -1.629 194 HE1 PHE 25 HE1 PHE 25 15.842 1.617 1.657 195 HE2 PHE 25 HE2 PHE 25 14.761 0.771 -2.413 196 HZ PHE 25 HZ PHE 25 16.109 2.049 -0.769 197 H ALA 26 H ALA 26 12.252 -3.657 3.346 198 HA ALA 26 HA ALA 26 14.269 -2.674 5.159 199 HB1 ALA 26 HB1 ALA 26 12.915 -3.899 6.815 200 HB2 ALA 26 HB2 ALA 26 12.118 -4.789 5.517 201 HB3 ALA 26 HB3 ALA 26 11.863 -3.051 5.681 202 H HIS 27 H HIS 27 13.618 -5.878 3.738 203 HA HIS 27 HA HIS 27 16.048 -6.979 5.085 204 HB2 HIS 27 HB2 HIS 27 13.604 -7.978 5.038 205 HB3 HIS 27 HB3 HIS 27 14.072 -8.540 3.434 206 HD1 HIS 27 HD1 HIS 27 16.390 -9.984 3.380 207 HD2 HIS 27 HD2 HIS 27 14.544 -9.582 7.097 208 HE1 HIS 27 HE1 HIS 27 17.376 -11.781 4.869 209 H LEU 28 H LEU 28 16.742 -5.206 3.096 210 HA LEU 28 HA LEU 28 17.318 -6.873 0.673 211 HB2 LEU 28 HB2 LEU 28 16.143 -4.421 0.922 212 HB3 LEU 28 HB3 LEU 28 17.827 -3.951 0.689 213 HG LEU 28 HG LEU 28 17.863 -5.526 -1.313 214 HD11 LEU 28 HD11 LEU 28 14.859 -5.377 -0.906 215 HD12 LEU 28 HD12 LEU 28 15.845 -6.820 -0.673 216 HD13 LEU 28 HD13 LEU 28 15.679 -6.114 -2.281 217 HD21 LEU 28 HD21 LEU 28 16.109 -3.065 -1.201 218 HD22 LEU 28 HD22 LEU 28 16.456 -3.890 -2.721 219 HD23 LEU 28 HD23 LEU 28 17.772 -3.193 -1.775 220 H LEU 29 H LEU 29 18.844 -4.411 2.796 221 HA LEU 29 HA LEU 29 21.083 -4.089 3.436 222 HB2 LEU 29 HB2 LEU 29 20.594 -6.440 4.198 223 HB3 LEU 29 HB3 LEU 29 21.311 -7.020 2.695 224 HG LEU 29 HG LEU 29 23.237 -5.278 3.598 225 HD11 LEU 29 HD11 LEU 29 22.240 -6.788 6.026 226 HD12 LEU 29 HD12 LEU 29 21.879 -5.086 5.738 227 HD13 LEU 29 HD13 LEU 29 23.548 -5.608 5.957 228 HD21 LEU 29 HD21 LEU 29 23.648 -7.525 2.727 229 HD22 LEU 29 HD22 LEU 29 22.927 -8.243 4.168 230 HD23 LEU 29 HD23 LEU 29 24.445 -7.354 4.291 231 HA PRO 30 HA PRO 30 22.441 -3.610 -0.927 232 HB2 PRO 30 HB2 PRO 30 23.272 -1.018 -0.617 233 HB3 PRO 30 HB3 PRO 30 21.591 -1.457 -0.977 234 HG2 PRO 30 HG2 PRO 30 22.834 -0.700 1.619 235 HG3 PRO 30 HG3 PRO 30 21.243 -0.283 0.965 236 HD2 PRO 30 HD2 PRO 30 21.638 -2.224 2.844 237 HD3 PRO 30 HD3 PRO 30 20.291 -2.234 1.686 238 H ARG 31 H ARG 31 24.114 -5.195 -0.022 239 HA ARG 31 HA ARG 31 26.720 -3.783 0.430 240 HB2 ARG 31 HB2 ARG 31 25.378 -6.002 1.969 241 HB3 ARG 31 HB3 ARG 31 27.135 -5.862 1.972 242 HG2 ARG 31 HG2 ARG 31 26.949 -3.529 2.769 243 HG3 ARG 31 HG3 ARG 31 25.191 -3.677 2.779 244 HD2 ARG 31 HD2 ARG 31 25.352 -4.462 4.902 245 HD3 ARG 31 HD3 ARG 31 26.152 -5.903 4.245 246 HE ARG 31 HE ARG 31 28.281 -4.929 4.765 247 HH11 ARG 31 HH11 ARG 31 26.866 -4.006 7.246 248 HH12 ARG 31 HH12 ARG 31 27.251 -2.319 7.278 249 HH21 ARG 31 HH21 ARG 31 28.258 -2.216 3.952 250 HH22 ARG 31 HH22 ARG 31 28.043 -1.301 5.406 Start of MODEL 15 1 HA ASP 1 HA ASP 1 -16.528 16.357 -9.574 2 HB2 ASP 1 HB2 ASP 1 -18.273 15.673 -11.911 3 HB3 ASP 1 HB3 ASP 1 -18.462 14.720 -10.437 4 H THR 2 H THR 2 -15.594 14.622 -8.542 5 HA THR 2 HA THR 2 -14.610 12.343 -10.234 6 HB THR 2 HB THR 2 -13.002 12.211 -8.120 7 HG1 THR 2 HG1 THR 2 -13.355 14.985 -8.164 8 HG21 THR 2 HG21 THR 2 -11.453 13.785 -9.294 9 HG22 THR 2 HG22 THR 2 -12.798 14.280 -10.322 10 HG23 THR 2 HG23 THR 2 -12.212 12.618 -10.377 11 H GLU 3 H GLU 3 -14.563 10.226 -9.106 12 HA GLU 3 HA GLU 3 -15.602 8.504 -7.886 13 HB2 GLU 3 HB2 GLU 3 -14.873 10.599 -6.162 14 HB3 GLU 3 HB3 GLU 3 -16.512 10.169 -5.677 15 HG2 GLU 3 HG2 GLU 3 -15.653 7.708 -5.816 16 HG3 GLU 3 HG3 GLU 3 -14.049 8.438 -5.733 17 H ILE 4 H ILE 4 -17.296 8.707 -9.678 18 HA ILE 4 HA ILE 4 -19.852 9.968 -8.873 19 HB ILE 4 HB ILE 4 -18.825 10.068 -11.189 20 HG12 ILE 4 HG12 ILE 4 -21.519 8.695 -11.216 21 HG13 ILE 4 HG13 ILE 4 -21.317 10.337 -10.605 22 HG21 ILE 4 HG21 ILE 4 -18.087 7.646 -11.164 23 HG22 ILE 4 HG22 ILE 4 -18.946 8.132 -12.624 24 HG23 ILE 4 HG23 ILE 4 -19.778 7.197 -11.383 25 HD11 ILE 4 HD11 ILE 4 -20.323 11.011 -12.773 26 HD12 ILE 4 HD12 ILE 4 -21.959 10.386 -12.976 27 HD13 ILE 4 HD13 ILE 4 -20.573 9.375 -13.384 28 H ILE 5 H ILE 5 -18.396 6.759 -9.051 29 HA ILE 5 HA ILE 5 -20.812 5.626 -7.739 30 HB ILE 5 HB ILE 5 -20.975 5.425 -10.252 31 HG12 ILE 5 HG12 ILE 5 -20.592 2.687 -9.050 32 HG13 ILE 5 HG13 ILE 5 -21.888 3.741 -8.485 33 HG21 ILE 5 HG21 ILE 5 -18.513 5.150 -10.624 34 HG22 ILE 5 HG22 ILE 5 -19.476 3.903 -11.416 35 HG23 ILE 5 HG23 ILE 5 -18.624 3.538 -9.915 36 HD11 ILE 5 HD11 ILE 5 -22.580 2.179 -10.335 37 HD12 ILE 5 HD12 ILE 5 -21.455 3.024 -11.397 38 HD13 ILE 5 HD13 ILE 5 -22.832 3.884 -10.707 39 H GLY 6 H GLY 6 -20.332 3.574 -6.656 40 HA2 GLY 6 HA2 GLY 6 -18.686 1.798 -6.118 41 HA3 GLY 6 HA3 GLY 6 -17.412 2.997 -6.346 42 H GLY 7 H GLY 7 -17.711 5.004 -4.839 43 HA2 GLY 7 HA2 GLY 7 -18.229 5.901 -2.683 44 HA3 GLY 7 HA3 GLY 7 -18.943 4.351 -2.234 45 H LEU 8 H LEU 8 -15.696 5.245 -3.457 46 HA LEU 8 HA LEU 8 -13.555 4.662 -2.665 47 HB2 LEU 8 HB2 LEU 8 -15.189 5.230 -0.182 48 HB3 LEU 8 HB3 LEU 8 -13.456 4.914 -0.101 49 HG LEU 8 HG LEU 8 -14.156 6.858 -2.181 50 HD11 LEU 8 HD11 LEU 8 -14.801 7.454 0.721 51 HD12 LEU 8 HD12 LEU 8 -15.910 7.520 -0.648 52 HD13 LEU 8 HD13 LEU 8 -14.599 8.692 -0.519 53 HD21 LEU 8 HD21 LEU 8 -12.321 8.103 -1.058 54 HD22 LEU 8 HD22 LEU 8 -11.863 6.435 -1.402 55 HD23 LEU 8 HD23 LEU 8 -12.318 6.903 0.236 56 H THR 9 H THR 9 -15.004 2.389 -3.420 57 HA THR 9 HA THR 9 -14.824 0.402 -1.230 58 HB THR 9 HB THR 9 -15.671 -1.074 -3.181 59 HG1 THR 9 HG1 THR 9 -15.106 0.131 -4.923 60 HG21 THR 9 HG21 THR 9 -17.214 -0.288 -1.517 61 HG22 THR 9 HG22 THR 9 -17.949 0.026 -3.088 62 HG23 THR 9 HG23 THR 9 -17.196 1.343 -2.188 63 H ILE 10 H ILE 10 -12.328 1.173 -1.432 64 HA ILE 10 HA ILE 10 -10.761 -0.041 -3.557 65 HB ILE 10 HB ILE 10 -8.865 0.578 -2.022 66 HG12 ILE 10 HG12 ILE 10 -10.431 2.118 -0.145 67 HG13 ILE 10 HG13 ILE 10 -10.906 0.423 -0.055 68 HG21 ILE 10 HG21 ILE 10 -10.110 2.185 -3.608 69 HG22 ILE 10 HG22 ILE 10 -9.118 2.908 -2.342 70 HG23 ILE 10 HG23 ILE 10 -10.870 2.830 -2.153 71 HD11 ILE 10 HD11 ILE 10 -8.981 1.037 1.457 72 HD12 ILE 10 HD12 ILE 10 -8.026 1.357 0.010 73 HD13 ILE 10 HD13 ILE 10 -8.626 -0.271 0.328 74 HA PRO 11 HA PRO 11 -10.661 -4.135 -1.875 75 HB2 PRO 11 HB2 PRO 11 -8.611 -5.125 -3.391 76 HB3 PRO 11 HB3 PRO 11 -10.245 -4.858 -4.031 77 HG2 PRO 11 HG2 PRO 11 -7.794 -3.215 -4.357 78 HG3 PRO 11 HG3 PRO 11 -9.100 -3.537 -5.504 79 HD2 PRO 11 HD2 PRO 11 -8.835 -1.209 -4.068 80 HD3 PRO 11 HD3 PRO 11 -10.369 -1.809 -4.734 81 HA PRO 12 HA PRO 12 -7.463 -3.903 1.179 82 HB2 PRO 12 HB2 PRO 12 -7.499 -6.501 2.045 83 HB3 PRO 12 HB3 PRO 12 -8.757 -5.321 2.463 84 HG2 PRO 12 HG2 PRO 12 -8.788 -7.467 0.401 85 HG3 PRO 12 HG3 PRO 12 -10.080 -6.920 1.480 86 HD2 PRO 12 HD2 PRO 12 -9.921 -6.213 -1.145 87 HD3 PRO 12 HD3 PRO 12 -10.685 -5.198 0.098 88 H VAL 13 H VAL 13 -7.307 -6.149 -1.508 89 HA VAL 13 HA VAL 13 -4.761 -7.352 -1.098 90 HB VAL 13 HB VAL 13 -6.206 -6.478 -3.626 91 HG11 VAL 13 HG11 VAL 13 -3.719 -8.077 -3.150 92 HG12 VAL 13 HG12 VAL 13 -4.104 -6.968 -4.466 93 HG13 VAL 13 HG13 VAL 13 -4.802 -8.587 -4.446 94 HG21 VAL 13 HG21 VAL 13 -6.643 -9.080 -3.560 95 HG22 VAL 13 HG22 VAL 13 -7.641 -8.002 -2.585 96 HG23 VAL 13 HG23 VAL 13 -6.315 -8.894 -1.838 97 H VAL 14 H VAL 14 -5.634 -4.172 -2.454 98 HA VAL 14 HA VAL 14 -3.080 -3.403 -3.470 99 HB VAL 14 HB VAL 14 -5.330 -1.790 -2.208 100 HG11 VAL 14 HG11 VAL 14 -3.242 -0.819 -4.174 101 HG12 VAL 14 HG12 VAL 14 -3.073 -0.615 -2.430 102 HG13 VAL 14 HG13 VAL 14 -4.417 0.145 -3.281 103 HG21 VAL 14 HG21 VAL 14 -6.380 -1.830 -4.255 104 HG22 VAL 14 HG22 VAL 14 -5.520 -3.363 -4.395 105 HG23 VAL 14 HG23 VAL 14 -4.862 -1.911 -5.149 106 H ALA 15 H ALA 15 -4.509 -2.989 -0.213 107 HA ALA 15 HA ALA 15 -2.289 -1.592 0.964 108 HB1 ALA 15 HB1 ALA 15 -3.404 -2.518 3.091 109 HB2 ALA 15 HB2 ALA 15 -4.546 -3.319 2.011 110 HB3 ALA 15 HB3 ALA 15 -4.432 -1.559 2.026 111 H LEU 16 H LEU 16 -3.061 -5.053 0.631 112 HA LEU 16 HA LEU 16 -0.932 -6.067 2.291 113 HB2 LEU 16 HB2 LEU 16 -3.021 -7.252 1.519 114 HB3 LEU 16 HB3 LEU 16 -2.316 -7.338 -0.095 115 HG LEU 16 HG LEU 16 -0.449 -8.276 1.938 116 HD11 LEU 16 HD11 LEU 16 -2.563 -8.917 3.079 117 HD12 LEU 16 HD12 LEU 16 -1.651 -10.326 2.537 118 HD13 LEU 16 HD13 LEU 16 -3.063 -9.786 1.627 119 HD21 LEU 16 HD21 LEU 16 -0.208 -10.112 0.382 120 HD22 LEU 16 HD22 LEU 16 -0.379 -8.634 -0.565 121 HD23 LEU 16 HD23 LEU 16 -1.750 -9.730 -0.385 122 H VAL 17 H VAL 17 -1.164 -5.383 -1.214 123 HA VAL 17 HA VAL 17 1.364 -6.470 -1.999 124 HB VAL 17 HB VAL 17 -0.406 -4.242 -3.053 125 HG11 VAL 17 HG11 VAL 17 0.956 -4.745 -5.222 126 HG12 VAL 17 HG12 VAL 17 2.187 -5.353 -4.115 127 HG13 VAL 17 HG13 VAL 17 1.664 -3.672 -4.015 128 HG21 VAL 17 HG21 VAL 17 -1.220 -5.887 -4.565 129 HG22 VAL 17 HG22 VAL 17 -1.126 -6.721 -3.015 130 HG23 VAL 17 HG23 VAL 17 0.126 -6.977 -4.230 131 H VAL 18 H VAL 18 0.469 -3.271 -0.709 132 HA VAL 18 HA VAL 18 3.107 -2.090 -1.069 133 HB VAL 18 HB VAL 18 0.725 -1.381 0.686 134 HG11 VAL 18 HG11 VAL 18 2.673 -0.257 1.558 135 HG12 VAL 18 HG12 VAL 18 1.768 0.925 0.613 136 HG13 VAL 18 HG13 VAL 18 3.215 0.177 -0.063 137 HG21 VAL 18 HG21 VAL 18 1.189 -1.222 -2.149 138 HG22 VAL 18 HG22 VAL 18 1.111 0.412 -1.493 139 HG23 VAL 18 HG23 VAL 18 -0.230 -0.705 -1.241 140 H MET 19 H MET 19 1.484 -3.890 1.521 141 HA MET 19 HA MET 19 3.349 -3.323 3.637 142 HB2 MET 19 HB2 MET 19 0.973 -4.382 3.624 143 HB3 MET 19 HB3 MET 19 1.808 -5.896 3.277 144 HG2 MET 19 HG2 MET 19 3.311 -4.951 5.350 145 HG3 MET 19 HG3 MET 19 1.721 -4.320 5.780 146 HE1 MET 19 HE1 MET 19 -0.473 -6.566 4.890 147 HE2 MET 19 HE2 MET 19 -0.205 -5.384 6.168 148 HE3 MET 19 HE3 MET 19 -0.481 -7.074 6.584 149 H SER 20 H SER 20 3.125 -6.089 1.355 150 HA SER 20 HA SER 20 5.445 -7.482 2.289 151 HB2 SER 20 HB2 SER 20 5.277 -8.555 0.009 152 HB3 SER 20 HB3 SER 20 3.760 -8.532 0.901 153 HG SER 20 HG SER 20 2.952 -7.328 -0.614 154 H ARG 21 H ARG 21 5.059 -4.984 -0.251 155 HA ARG 21 HA ARG 21 7.755 -5.061 -1.221 156 HB2 ARG 21 HB2 ARG 21 7.015 -3.325 -2.537 157 HB3 ARG 21 HB3 ARG 21 5.446 -3.844 -1.941 158 HG2 ARG 21 HG2 ARG 21 5.250 -1.636 -1.379 159 HG3 ARG 21 HG3 ARG 21 6.153 -2.136 0.049 160 HD2 ARG 21 HD2 ARG 21 8.276 -1.503 -1.063 161 HD3 ARG 21 HD3 ARG 21 7.364 -0.992 -2.497 162 HE ARG 21 HE ARG 21 6.352 0.240 -0.060 163 HH11 ARG 21 HH11 ARG 21 9.235 0.947 0.046 164 HH12 ARG 21 HH12 ARG 21 9.312 2.387 -0.915 165 HH21 ARG 21 HH21 ARG 21 6.222 1.854 -2.424 166 HH22 ARG 21 HH22 ARG 21 7.598 2.901 -2.321 167 H PHE 22 H PHE 22 6.306 -3.517 1.604 168 HA PHE 22 HA PHE 22 8.493 -1.736 2.237 169 HB2 PHE 22 HB2 PHE 22 5.973 -1.985 3.068 170 HB3 PHE 22 HB3 PHE 22 6.718 -2.989 4.311 171 HD1 PHE 22 HD1 PHE 22 8.698 -2.003 5.631 172 HD2 PHE 22 HD2 PHE 22 6.044 0.368 3.225 173 HE1 PHE 22 HE1 PHE 22 9.412 0.034 6.849 174 HE2 PHE 22 HE2 PHE 22 6.758 2.405 4.443 175 HZ PHE 22 HZ PHE 22 8.443 2.239 6.255 176 H GLY 23 H GLY 23 7.625 -5.042 3.303 177 HA2 GLY 23 HA2 GLY 23 9.879 -5.381 5.060 178 HA3 GLY 23 HA3 GLY 23 8.899 -6.687 4.391 179 H PHE 24 H PHE 24 9.388 -5.892 1.593 180 HA PHE 24 HA PHE 24 11.719 -7.446 1.028 181 HB2 PHE 24 HB2 PHE 24 9.777 -5.722 -0.398 182 HB3 PHE 24 HB3 PHE 24 11.340 -5.885 -1.197 183 HD1 PHE 24 HD1 PHE 24 12.307 -8.395 -1.165 184 HD2 PHE 24 HD2 PHE 24 8.157 -7.325 -0.876 185 HE1 PHE 24 HE1 PHE 24 11.669 -10.657 -1.953 186 HE2 PHE 24 HE2 PHE 24 7.519 -9.587 -1.665 187 HZ PHE 24 HZ PHE 24 9.275 -11.253 -2.203 188 H PHE 25 H PHE 25 11.258 -3.879 0.908 189 HA PHE 25 HA PHE 25 14.006 -3.267 0.296 190 HB2 PHE 25 HB2 PHE 25 11.805 -1.873 0.145 191 HB3 PHE 25 HB3 PHE 25 12.123 -1.481 1.835 192 HD1 PHE 25 HD1 PHE 25 13.699 -1.452 -1.558 193 HD2 PHE 25 HD2 PHE 25 13.672 0.202 2.407 194 HE1 PHE 25 HE2 PHE 25 15.349 0.261 -2.261 195 HE2 PHE 25 HE1 PHE 25 15.322 1.914 1.703 196 HZ PHE 25 HZ PHE 25 16.160 1.944 -0.631 197 H ALA 26 H ALA 26 12.283 -3.803 3.350 198 HA ALA 26 HA ALA 26 14.156 -2.707 5.186 199 HB1 ALA 26 HB1 ALA 26 12.527 -5.241 5.533 200 HB2 ALA 26 HB2 ALA 26 11.811 -3.630 5.569 201 HB3 ALA 26 HB3 ALA 26 13.004 -4.093 6.784 202 H HIS 27 H HIS 27 14.044 -5.952 3.674 203 HA HIS 27 HA HIS 27 16.708 -6.573 4.890 204 HB2 HIS 27 HB2 HIS 27 14.405 -7.992 4.863 205 HB3 HIS 27 HB3 HIS 27 15.122 -8.585 3.365 206 HD1 HIS 27 HD1 HIS 27 17.403 -9.860 3.549 207 HD2 HIS 27 HD2 HIS 27 15.745 -8.802 7.225 208 HE1 HIS 27 HE1 HIS 27 18.672 -11.165 5.311 209 H LEU 28 H LEU 28 16.061 -4.860 2.372 210 HA LEU 28 HA LEU 28 18.152 -6.071 0.664 211 HB2 LEU 28 HB2 LEU 28 15.631 -6.840 0.202 212 HB3 LEU 28 HB3 LEU 28 15.589 -5.315 -0.682 213 HG LEU 28 HG LEU 28 17.963 -6.319 -1.554 214 HD11 LEU 28 HD11 LEU 28 16.133 -8.656 -0.952 215 HD12 LEU 28 HD12 LEU 28 17.800 -8.433 -0.421 216 HD13 LEU 28 HD13 LEU 28 17.450 -8.741 -2.122 217 HD21 LEU 28 HD21 LEU 28 16.730 -6.972 -3.594 218 HD22 LEU 28 HD22 LEU 28 16.116 -5.450 -2.948 219 HD23 LEU 28 HD23 LEU 28 15.216 -6.945 -2.688 220 H LEU 29 H LEU 29 18.169 -3.662 2.187 221 HA LEU 29 HA LEU 29 17.567 -1.421 0.368 222 HB2 LEU 29 HB2 LEU 29 18.392 -0.077 2.286 223 HB3 LEU 29 HB3 LEU 29 17.192 -1.260 2.798 224 HG LEU 29 HG LEU 29 19.727 -2.545 2.939 225 HD11 LEU 29 HD11 LEU 29 20.953 -1.088 4.469 226 HD12 LEU 29 HD12 LEU 29 19.692 0.140 4.349 227 HD13 LEU 29 HD13 LEU 29 20.686 -0.244 2.944 228 HD21 LEU 29 HD21 LEU 29 18.051 -1.391 5.186 229 HD22 LEU 29 HD22 LEU 29 19.144 -2.773 5.277 230 HD23 LEU 29 HD23 LEU 29 17.656 -2.886 4.339 231 HA PRO 30 HA PRO 30 21.617 -1.549 -1.436 232 HB2 PRO 30 HB2 PRO 30 21.488 0.825 -2.789 233 HB3 PRO 30 HB3 PRO 30 20.641 -0.638 -3.322 234 HG2 PRO 30 HG2 PRO 30 19.583 1.753 -1.919 235 HG3 PRO 30 HG3 PRO 30 18.822 0.734 -3.149 236 HD2 PRO 30 HD2 PRO 30 18.285 0.599 -0.451 237 HD3 PRO 30 HD3 PRO 30 18.000 -0.720 -1.606 238 H ARG 31 H ARG 31 22.260 -1.143 1.011 239 HA ARG 31 HA ARG 31 24.079 1.157 1.066 240 HB2 ARG 31 HB2 ARG 31 21.500 1.623 1.860 241 HB3 ARG 31 HB3 ARG 31 22.239 1.154 3.391 242 HG2 ARG 31 HG2 ARG 31 23.426 3.242 1.545 243 HG3 ARG 31 HG3 ARG 31 22.347 3.633 2.882 244 HD2 ARG 31 HD2 ARG 31 24.918 2.051 3.236 245 HD3 ARG 31 HD3 ARG 31 24.804 3.806 3.474 246 HE ARG 31 HE ARG 31 22.787 3.057 5.057 247 HH11 ARG 31 HH11 ARG 31 23.553 0.198 5.079 248 HH12 ARG 31 HH12 ARG 31 24.630 0.097 6.430 249 HH21 ARG 31 HH21 ARG 31 25.174 3.526 6.591 250 HH22 ARG 31 HH22 ARG 31 25.550 1.988 7.291 Start of MODEL 16 1 HA ASP 1 HA ASP 1 -27.705 -5.795 -0.126 2 HB2 ASP 1 HB2 ASP 1 -29.546 -6.756 1.259 3 HB3 ASP 1 HB3 ASP 1 -29.831 -6.979 -0.465 4 H THR 2 H THR 2 -27.658 -5.795 2.401 5 HA THR 2 HA THR 2 -25.102 -6.920 3.256 6 HB THR 2 HB THR 2 -26.097 -4.669 3.872 7 HG1 THR 2 HG1 THR 2 -24.719 -4.859 5.414 8 HG21 THR 2 HG21 THR 2 -27.958 -4.466 5.205 9 HG22 THR 2 HG22 THR 2 -27.654 -5.987 6.042 10 HG23 THR 2 HG23 THR 2 -28.370 -5.996 4.431 11 H GLU 3 H GLU 3 -24.797 -8.502 4.926 12 HA GLU 3 HA GLU 3 -27.131 -10.333 5.320 13 HB2 GLU 3 HB2 GLU 3 -24.146 -10.610 5.146 14 HB3 GLU 3 HB3 GLU 3 -25.063 -11.832 6.025 15 HG2 GLU 3 HG2 GLU 3 -26.378 -12.363 4.088 16 HG3 GLU 3 HG3 GLU 3 -25.754 -10.968 3.208 17 H ILE 4 H ILE 4 -24.178 -9.939 7.254 18 HA ILE 4 HA ILE 4 -25.854 -9.164 9.614 19 HB ILE 4 HB ILE 4 -23.710 -11.313 9.419 20 HG12 ILE 4 HG12 ILE 4 -26.110 -12.270 10.575 21 HG13 ILE 4 HG13 ILE 4 -26.594 -11.324 9.167 22 HG21 ILE 4 HG21 ILE 4 -24.125 -11.705 11.804 23 HG22 ILE 4 HG22 ILE 4 -25.295 -10.385 11.835 24 HG23 ILE 4 HG23 ILE 4 -23.588 -10.044 11.554 25 HD11 ILE 4 HD11 ILE 4 -26.185 -13.635 8.489 26 HD12 ILE 4 HD12 ILE 4 -24.571 -13.581 9.200 27 HD13 ILE 4 HD13 ILE 4 -24.946 -12.590 7.790 28 H ILE 5 H ILE 5 -22.401 -9.713 8.740 29 HA ILE 5 HA ILE 5 -21.771 -7.056 9.990 30 HB ILE 5 HB ILE 5 -19.585 -8.073 10.538 31 HG12 ILE 5 HG12 ILE 5 -20.242 -10.840 10.025 32 HG13 ILE 5 HG13 ILE 5 -20.324 -9.925 8.520 33 HG21 ILE 5 HG21 ILE 5 -20.351 -9.237 12.377 34 HG22 ILE 5 HG22 ILE 5 -21.546 -10.138 11.445 35 HG23 ILE 5 HG23 ILE 5 -21.852 -8.456 11.880 36 HD11 ILE 5 HD11 ILE 5 -17.985 -10.003 10.447 37 HD12 ILE 5 HD12 ILE 5 -18.068 -8.980 9.014 38 HD13 ILE 5 HD13 ILE 5 -18.044 -10.735 8.844 39 H GLY 6 H GLY 6 -19.351 -6.477 9.063 40 HA2 GLY 6 HA2 GLY 6 -18.740 -7.126 6.350 41 HA3 GLY 6 HA3 GLY 6 -19.707 -5.653 6.369 42 H GLY 7 H GLY 7 -16.792 -6.128 5.713 43 HA2 GLY 7 HA2 GLY 7 -15.754 -3.860 7.302 44 HA3 GLY 7 HA3 GLY 7 -14.849 -5.369 7.414 45 H LEU 8 H LEU 8 -16.278 -3.299 4.851 46 HA LEU 8 HA LEU 8 -13.834 -3.856 3.196 47 HB2 LEU 8 HB2 LEU 8 -16.763 -3.595 2.661 48 HB3 LEU 8 HB3 LEU 8 -15.662 -3.020 1.410 49 HG LEU 8 HG LEU 8 -14.853 -5.610 2.509 50 HD11 LEU 8 HD11 LEU 8 -17.239 -5.984 2.758 51 HD12 LEU 8 HD12 LEU 8 -16.687 -6.860 1.331 52 HD13 LEU 8 HD13 LEU 8 -17.550 -5.333 1.149 53 HD21 LEU 8 HD21 LEU 8 -13.935 -4.600 0.452 54 HD22 LEU 8 HD22 LEU 8 -15.539 -4.626 -0.282 55 HD23 LEU 8 HD23 LEU 8 -14.716 -6.140 0.093 56 H THR 9 H THR 9 -13.894 -1.759 5.200 57 HA THR 9 HA THR 9 -14.522 0.804 3.994 58 HB THR 9 HB THR 9 -14.377 0.198 6.458 59 HG1 THR 9 HG1 THR 9 -14.424 2.337 5.973 60 HG21 THR 9 HG21 THR 9 -12.111 -0.990 6.078 61 HG22 THR 9 HG22 THR 9 -12.283 -0.008 7.532 62 HG23 THR 9 HG23 THR 9 -11.408 0.627 6.139 63 H ILE 10 H ILE 10 -11.791 -1.337 3.798 64 HA ILE 10 HA ILE 10 -10.399 0.612 2.036 65 HB ILE 10 HB ILE 10 -9.750 0.261 4.702 66 HG12 ILE 10 HG12 ILE 10 -7.364 0.938 3.266 67 HG13 ILE 10 HG13 ILE 10 -8.747 1.621 2.410 68 HG21 ILE 10 HG21 ILE 10 -7.641 -0.979 4.778 69 HG22 ILE 10 HG22 ILE 10 -7.796 -1.387 3.069 70 HG23 ILE 10 HG23 ILE 10 -8.942 -2.041 4.240 71 HD11 ILE 10 HD11 ILE 10 -8.109 1.984 5.352 72 HD12 ILE 10 HD12 ILE 10 -9.554 2.601 4.551 73 HD13 ILE 10 HD13 ILE 10 -7.963 3.212 4.094 74 HA PRO 11 HA PRO 11 -9.598 -3.075 -0.243 75 HB2 PRO 11 HB2 PRO 11 -7.372 -2.348 -1.652 76 HB3 PRO 11 HB3 PRO 11 -8.985 -1.693 -1.988 77 HG2 PRO 11 HG2 PRO 11 -6.687 -0.440 -0.624 78 HG3 PRO 11 HG3 PRO 11 -7.985 0.301 -1.569 79 HD2 PRO 11 HD2 PRO 11 -7.789 0.246 1.222 80 HD3 PRO 11 HD3 PRO 11 -9.231 0.678 0.281 81 HA PRO 12 HA PRO 12 -6.589 -5.067 2.448 82 HB2 PRO 12 HB2 PRO 12 -7.225 -7.632 1.731 83 HB3 PRO 12 HB3 PRO 12 -8.190 -6.678 2.874 84 HG2 PRO 12 HG2 PRO 12 -8.683 -7.249 -0.003 85 HG3 PRO 12 HG3 PRO 12 -9.830 -7.138 1.340 86 HD2 PRO 12 HD2 PRO 12 -9.436 -5.148 -0.494 87 HD3 PRO 12 HD3 PRO 12 -10.015 -4.867 1.163 88 H VAL 13 H VAL 13 -7.047 -5.864 -1.001 89 HA VAL 13 HA VAL 13 -4.578 -7.257 -1.426 90 HB VAL 13 HB VAL 13 -6.394 -5.607 -3.216 91 HG11 VAL 13 HG11 VAL 13 -3.961 -7.277 -3.847 92 HG12 VAL 13 HG12 VAL 13 -4.373 -5.666 -4.433 93 HG13 VAL 13 HG13 VAL 13 -5.252 -7.073 -5.032 94 HG21 VAL 13 HG21 VAL 13 -7.434 -7.601 -2.229 95 HG22 VAL 13 HG22 VAL 13 -6.078 -8.593 -2.762 96 HG23 VAL 13 HG23 VAL 13 -7.157 -7.862 -3.950 97 H VAL 14 H VAL 14 -5.418 -3.789 -1.786 98 HA VAL 14 HA VAL 14 -2.921 -2.858 -2.788 99 HB VAL 14 HB VAL 14 -5.026 -1.582 -1.004 100 HG11 VAL 14 HG11 VAL 14 -2.753 -0.314 -2.566 101 HG12 VAL 14 HG12 VAL 14 -2.953 -0.306 -0.814 102 HG13 VAL 14 HG13 VAL 14 -4.086 0.581 -1.834 103 HG21 VAL 14 HG21 VAL 14 -4.522 -1.384 -3.994 104 HG22 VAL 14 HG22 VAL 14 -5.842 -0.621 -3.107 105 HG23 VAL 14 HG23 VAL 14 -5.776 -2.377 -3.249 106 H ALA 15 H ALA 15 -4.045 -3.232 0.591 107 HA ALA 15 HA ALA 15 -1.690 -2.199 1.866 108 HB1 ALA 15 HB1 ALA 15 -3.946 -4.057 2.627 109 HB2 ALA 15 HB2 ALA 15 -3.673 -2.393 3.144 110 HB3 ALA 15 HB3 ALA 15 -2.654 -3.689 3.769 111 H LEU 16 H LEU 16 -2.602 -5.500 0.847 112 HA LEU 16 HA LEU 16 -0.353 -6.870 1.994 113 HB2 LEU 16 HB2 LEU 16 -2.650 -7.613 0.854 114 HB3 LEU 16 HB3 LEU 16 -1.624 -7.748 -0.574 115 HG LEU 16 HG LEU 16 -0.038 -9.153 0.814 116 HD11 LEU 16 HD11 LEU 16 -0.598 -8.610 3.048 117 HD12 LEU 16 HD12 LEU 16 -1.250 -10.233 2.828 118 HD13 LEU 16 HD13 LEU 16 -2.324 -8.836 2.762 119 HD21 LEU 16 HD21 LEU 16 -2.888 -10.142 0.463 120 HD22 LEU 16 HD22 LEU 16 -1.483 -11.180 0.704 121 HD23 LEU 16 HD23 LEU 16 -1.611 -10.195 -0.753 122 H VAL 17 H VAL 17 -0.837 -5.282 -1.163 123 HA VAL 17 HA VAL 17 1.636 -6.139 -2.373 124 HB VAL 17 HB VAL 17 -0.192 -3.747 -2.793 125 HG11 VAL 17 HG11 VAL 17 2.309 -4.622 -4.184 126 HG12 VAL 17 HG12 VAL 17 1.690 -2.993 -3.907 127 HG13 VAL 17 HG13 VAL 17 0.988 -3.999 -5.173 128 HG21 VAL 17 HG21 VAL 17 -0.021 -5.908 -4.797 129 HG22 VAL 17 HG22 VAL 17 -1.441 -5.107 -4.127 130 HG23 VAL 17 HG23 VAL 17 -0.668 -6.419 -3.239 131 H VAL 18 H VAL 18 0.735 -3.256 -0.457 132 HA VAL 18 HA VAL 18 3.214 -1.842 -0.667 133 HB VAL 18 HB VAL 18 0.997 -1.982 1.397 134 HG11 VAL 18 HG11 VAL 18 3.536 -0.363 1.391 135 HG12 VAL 18 HG12 VAL 18 2.739 -1.175 2.739 136 HG13 VAL 18 HG13 VAL 18 2.062 0.316 2.083 137 HG21 VAL 18 HG21 VAL 18 1.789 0.112 -0.655 138 HG22 VAL 18 HG22 VAL 18 0.397 0.202 0.423 139 HG23 VAL 18 HG23 VAL 18 0.463 -1.036 -0.831 140 H MET 19 H MET 19 2.148 -4.457 1.489 141 HA MET 19 HA MET 19 4.401 -4.385 3.296 142 HB2 MET 19 HB2 MET 19 2.059 -5.523 3.442 143 HB3 MET 19 HB3 MET 19 2.806 -6.836 2.532 144 HG2 MET 19 HG2 MET 19 3.954 -7.568 4.339 145 HG3 MET 19 HG3 MET 19 4.466 -5.937 4.771 146 HE1 MET 19 HE1 MET 19 2.150 -8.778 5.059 147 HE2 MET 19 HE2 MET 19 0.855 -7.745 4.460 148 HE3 MET 19 HE3 MET 19 0.824 -8.306 6.130 149 H SER 20 H SER 20 3.767 -6.047 0.213 150 HA SER 20 HA SER 20 6.276 -7.571 0.281 151 HB2 SER 20 HB2 SER 20 4.049 -7.090 -1.701 152 HB3 SER 20 HB3 SER 20 5.475 -8.030 -2.131 153 HG SER 20 HG SER 20 3.519 -9.126 -1.164 154 H ARG 21 H ARG 21 5.551 -4.327 -0.387 155 HA ARG 21 HA ARG 21 7.723 -4.056 -2.420 156 HB2 ARG 21 HB2 ARG 21 5.186 -2.726 -1.760 157 HB3 ARG 21 HB3 ARG 21 6.502 -1.586 -2.036 158 HG2 ARG 21 HG2 ARG 21 6.027 -3.871 -3.942 159 HG3 ARG 21 HG3 ARG 21 5.108 -2.373 -4.087 160 HD2 ARG 21 HD2 ARG 21 8.145 -2.445 -3.987 161 HD3 ARG 21 HD3 ARG 21 7.216 -2.423 -5.498 162 HE ARG 21 HE ARG 21 6.088 -0.314 -4.331 163 HH11 ARG 21 HH11 ARG 21 8.263 -0.326 -2.210 164 HH12 ARG 21 HH12 ARG 21 9.383 0.825 -2.859 165 HH21 ARG 21 HH21 ARG 21 8.017 0.744 -6.055 166 HH22 ARG 21 HH22 ARG 21 9.244 1.432 -5.045 167 H PHE 22 H PHE 22 6.537 -2.304 0.487 168 HA PHE 22 HA PHE 22 9.209 -1.148 0.954 169 HB2 PHE 22 HB2 PHE 22 6.624 -0.349 1.390 170 HB3 PHE 22 HB3 PHE 22 7.072 -0.926 2.996 171 HD1 PHE 22 HD1 PHE 22 9.400 -0.129 3.906 172 HD2 PHE 22 HD2 PHE 22 7.258 1.806 0.722 173 HE1 PHE 22 HE2 PHE 22 10.702 1.946 4.289 174 HE2 PHE 22 HE1 PHE 22 8.560 3.879 1.106 175 HZ PHE 22 HZ PHE 22 10.283 3.950 2.889 176 H GLY 23 H GLY 23 7.020 -3.483 2.554 177 HA2 GLY 23 HA2 GLY 23 8.660 -4.037 4.820 178 HA3 GLY 23 HA3 GLY 23 7.458 -5.143 4.154 179 H PHE 24 H PHE 24 8.531 -5.558 1.587 180 HA PHE 24 HA PHE 24 10.455 -7.618 2.019 181 HB2 PHE 24 HB2 PHE 24 8.999 -6.390 -0.124 182 HB3 PHE 24 HB3 PHE 24 10.685 -6.522 -0.623 183 HD1 PHE 24 HD1 PHE 24 7.877 -8.492 0.871 184 HD2 PHE 24 HD2 PHE 24 11.574 -8.591 -1.316 185 HE1 PHE 24 HE1 PHE 24 7.571 -10.918 0.463 186 HE2 PHE 24 HE2 PHE 24 11.267 -11.017 -1.723 187 HZ PHE 24 HZ PHE 24 9.266 -12.181 -0.834 188 H PHE 25 H PHE 25 10.890 -4.239 0.905 189 HA PHE 25 HA PHE 25 13.732 -4.330 0.555 190 HB2 PHE 25 HB2 PHE 25 12.282 -2.575 -0.346 191 HB3 PHE 25 HB3 PHE 25 11.819 -2.085 1.284 192 HD1 PHE 25 HD1 PHE 25 14.821 -2.498 -0.921 193 HD2 PHE 25 HD2 PHE 25 13.064 -0.453 2.423 194 HE1 PHE 25 HE2 PHE 25 16.788 -0.991 -0.809 195 HE2 PHE 25 HE1 PHE 25 15.030 1.052 2.536 196 HZ PHE 25 HZ PHE 25 16.892 0.785 0.920 197 H ALA 26 H ALA 26 11.704 -3.639 3.406 198 HA ALA 26 HA ALA 26 13.726 -2.702 5.183 199 HB1 ALA 26 HB1 ALA 26 12.087 -3.163 6.868 200 HB2 ALA 26 HB2 ALA 26 11.366 -4.455 5.907 201 HB3 ALA 26 HB3 ALA 26 11.171 -2.773 5.412 202 H HIS 27 H HIS 27 12.877 -5.972 4.142 203 HA HIS 27 HA HIS 27 14.702 -7.214 6.127 204 HB2 HIS 27 HB2 HIS 27 12.518 -8.221 5.708 205 HB3 HIS 27 HB3 HIS 27 12.839 -8.277 3.975 206 HD1 HIS 27 HD1 HIS 27 14.966 -9.396 6.951 207 HD2 HIS 27 HD2 HIS 27 13.373 -10.924 3.414 208 HE1 HIS 27 HE1 HIS 27 15.817 -11.772 6.750 209 H LEU 28 H LEU 28 14.410 -6.753 2.594 210 HA LEU 28 HA LEU 28 16.878 -8.219 2.009 211 HB2 LEU 28 HB2 LEU 28 14.714 -6.770 0.577 212 HB3 LEU 28 HB3 LEU 28 16.273 -6.805 -0.242 213 HG LEU 28 HG LEU 28 14.863 -8.731 -0.897 214 HD11 LEU 28 HD11 LEU 28 17.472 -8.788 -0.481 215 HD12 LEU 28 HD12 LEU 28 16.597 -10.274 -0.848 216 HD13 LEU 28 HD13 LEU 28 17.029 -9.895 0.819 217 HD21 LEU 28 HD21 LEU 28 15.176 -9.822 1.893 218 HD22 LEU 28 HD22 LEU 28 14.032 -10.298 0.639 219 HD23 LEU 28 HD23 LEU 28 13.810 -8.777 1.504 220 H LEU 29 H LEU 29 15.926 -4.781 1.589 221 HA LEU 29 HA LEU 29 17.179 -2.798 1.744 222 HB2 LEU 29 HB2 LEU 29 18.172 -4.642 3.693 223 HB3 LEU 29 HB3 LEU 29 19.555 -3.788 3.009 224 HG LEU 29 HG LEU 29 17.879 -1.699 3.319 225 HD11 LEU 29 HD11 LEU 29 16.016 -2.550 4.368 226 HD12 LEU 29 HD12 LEU 29 17.005 -2.246 5.796 227 HD13 LEU 29 HD13 LEU 29 16.910 -3.871 5.119 228 HD21 LEU 29 HD21 LEU 29 19.195 -1.100 5.201 229 HD22 LEU 29 HD22 LEU 29 20.231 -2.184 4.274 230 HD23 LEU 29 HD23 LEU 29 19.389 -2.779 5.704 231 HA PRO 30 HA PRO 30 20.072 -2.916 -1.564 232 HB2 PRO 30 HB2 PRO 30 21.653 -0.745 -1.056 233 HB3 PRO 30 HB3 PRO 30 19.970 -0.607 -1.595 234 HG2 PRO 30 HG2 PRO 30 21.124 -0.239 1.105 235 HG3 PRO 30 HG3 PRO 30 19.750 0.569 0.343 236 HD2 PRO 30 HD2 PRO 30 19.576 -1.468 2.213 237 HD3 PRO 30 HD3 PRO 30 18.279 -0.977 1.105 238 H ARG 31 H ARG 31 22.529 -2.935 -2.065 239 HA ARG 31 HA ARG 31 23.976 -4.354 0.147 240 HB2 ARG 31 HB2 ARG 31 23.935 -4.575 -2.866 241 HB3 ARG 31 HB3 ARG 31 25.260 -5.259 -1.924 242 HG2 ARG 31 HG2 ARG 31 23.908 -6.855 -0.918 243 HG3 ARG 31 HG3 ARG 31 22.450 -5.878 -1.089 244 HD2 ARG 31 HD2 ARG 31 21.981 -7.274 -2.840 245 HD3 ARG 31 HD3 ARG 31 23.172 -6.302 -3.726 246 HE ARG 31 HE ARG 31 24.889 -7.965 -3.114 247 HH11 ARG 31 HH11 ARG 31 23.722 -9.187 -0.701 248 HH12 ARG 31 HH12 ARG 31 23.083 -10.686 -1.289 249 HH21 ARG 31 HH21 ARG 31 23.153 -9.708 -4.624 250 HH22 ARG 31 HH22 ARG 31 22.759 -10.983 -3.519 Start of MODEL 17 1 HA ASP 1 HA ASP 1 -11.230 -4.828 17.366 2 HB2 ASP 1 HB2 ASP 1 -13.308 -5.901 19.286 3 HB3 ASP 1 HB3 ASP 1 -13.749 -5.303 17.687 4 H THR 2 H THR 2 -11.636 -2.722 16.791 5 HA THR 2 HA THR 2 -13.213 -0.974 18.627 6 HB THR 2 HB THR 2 -11.341 0.773 18.148 7 HG1 THR 2 HG1 THR 2 -9.609 0.059 17.210 8 HG21 THR 2 HG21 THR 2 -10.422 -1.530 19.855 9 HG22 THR 2 HG22 THR 2 -11.837 -0.584 20.311 10 HG23 THR 2 HG23 THR 2 -10.266 0.200 20.155 11 H GLU 3 H GLU 3 -14.834 -1.192 16.879 12 HA GLU 3 HA GLU 3 -14.110 0.072 14.278 13 HB2 GLU 3 HB2 GLU 3 -15.493 -2.175 14.877 14 HB3 GLU 3 HB3 GLU 3 -16.826 -1.021 14.840 15 HG2 GLU 3 HG2 GLU 3 -16.180 -0.302 12.589 16 HG3 GLU 3 HG3 GLU 3 -14.787 -1.383 12.623 17 H ILE 4 H ILE 4 -13.995 2.122 15.871 18 HA ILE 4 HA ILE 4 -16.665 3.317 16.383 19 HB ILE 4 HB ILE 4 -13.798 4.178 16.913 20 HG12 ILE 4 HG12 ILE 4 -15.839 3.581 19.025 21 HG13 ILE 4 HG13 ILE 4 -15.093 2.225 18.180 22 HG21 ILE 4 HG21 ILE 4 -16.409 5.483 17.750 23 HG22 ILE 4 HG22 ILE 4 -15.228 6.156 16.625 24 HG23 ILE 4 HG23 ILE 4 -14.810 5.953 18.326 25 HD11 ILE 4 HD11 ILE 4 -12.852 3.117 18.751 26 HD12 ILE 4 HD12 ILE 4 -13.805 2.781 20.197 27 HD13 ILE 4 HD13 ILE 4 -13.616 4.441 19.632 28 H ILE 5 H ILE 5 -13.740 3.940 14.422 29 HA ILE 5 HA ILE 5 -15.348 5.851 12.752 30 HB ILE 5 HB ILE 5 -12.346 5.759 13.216 31 HG12 ILE 5 HG12 ILE 5 -13.590 6.261 15.319 32 HG13 ILE 5 HG13 ILE 5 -12.665 7.648 14.750 33 HG21 ILE 5 HG21 ILE 5 -12.641 8.199 12.410 34 HG22 ILE 5 HG22 ILE 5 -14.222 7.674 11.828 35 HG23 ILE 5 HG23 ILE 5 -12.755 6.922 11.199 36 HD11 ILE 5 HD11 ILE 5 -15.611 7.223 14.166 37 HD12 ILE 5 HD12 ILE 5 -14.657 8.661 13.799 38 HD13 ILE 5 HD13 ILE 5 -14.997 8.233 15.476 39 H GLY 6 H GLY 6 -15.787 3.395 11.912 40 HA2 GLY 6 HA2 GLY 6 -15.668 2.208 9.856 41 HA3 GLY 6 HA3 GLY 6 -14.248 3.160 9.419 42 H GLY 7 H GLY 7 -12.185 2.577 10.482 43 HA2 GLY 7 HA2 GLY 7 -10.769 1.042 11.687 44 HA3 GLY 7 HA3 GLY 7 -12.099 -0.117 11.725 45 H LEU 8 H LEU 8 -12.833 -0.321 9.099 46 HA LEU 8 HA LEU 8 -10.329 -1.268 7.738 47 HB2 LEU 8 HB2 LEU 8 -13.057 -2.450 8.178 48 HB3 LEU 8 HB3 LEU 8 -12.160 -2.906 6.730 49 HG LEU 8 HG LEU 8 -10.232 -3.100 8.692 50 HD11 LEU 8 HD11 LEU 8 -11.942 -2.756 10.447 51 HD12 LEU 8 HD12 LEU 8 -11.264 -4.382 10.526 52 HD13 LEU 8 HD13 LEU 8 -12.859 -4.125 9.817 53 HD21 LEU 8 HD21 LEU 8 -10.600 -5.558 8.454 54 HD22 LEU 8 HD22 LEU 8 -10.625 -4.721 6.901 55 HD23 LEU 8 HD23 LEU 8 -12.137 -5.224 7.656 56 H THR 9 H THR 9 -10.805 1.239 7.091 57 HA THR 9 HA THR 9 -12.649 1.338 4.739 58 HB THR 9 HB THR 9 -12.294 3.798 5.004 59 HG1 THR 9 HG1 THR 9 -11.034 3.376 7.447 60 HG21 THR 9 HG21 THR 9 -13.029 2.396 7.590 61 HG22 THR 9 HG22 THR 9 -14.114 2.610 6.218 62 HG23 THR 9 HG23 THR 9 -13.525 4.017 7.102 63 H ILE 10 H ILE 10 -9.908 0.028 4.735 64 HA ILE 10 HA ILE 10 -8.628 1.743 2.629 65 HB ILE 10 HB ILE 10 -6.490 0.797 3.414 66 HG12 ILE 10 HG12 ILE 10 -7.167 -0.389 5.880 67 HG13 ILE 10 HG13 ILE 10 -8.270 -1.101 4.704 68 HG21 ILE 10 HG21 ILE 10 -6.302 2.160 5.270 69 HG22 ILE 10 HG22 ILE 10 -7.834 1.619 5.956 70 HG23 ILE 10 HG23 ILE 10 -7.824 2.760 4.612 71 HD11 ILE 10 HD11 ILE 10 -6.325 -2.479 4.661 72 HD12 ILE 10 HD12 ILE 10 -5.248 -1.082 4.640 73 HD13 ILE 10 HD13 ILE 10 -6.218 -1.470 3.218 74 HA PRO 11 HA PRO 11 -9.114 -1.690 -0.083 75 HB2 PRO 11 HB2 PRO 11 -6.976 -1.335 -1.755 76 HB3 PRO 11 HB3 PRO 11 -8.417 -0.299 -1.791 77 HG2 PRO 11 HG2 PRO 11 -5.750 0.209 -0.581 78 HG3 PRO 11 HG3 PRO 11 -6.845 1.323 -1.412 79 HD2 PRO 11 HD2 PRO 11 -6.565 1.191 1.309 80 HD3 PRO 11 HD3 PRO 11 -8.026 1.776 0.485 81 HA PRO 12 HA PRO 12 -6.412 -4.637 1.962 82 HB2 PRO 12 HB2 PRO 12 -7.651 -6.884 1.002 83 HB3 PRO 12 HB3 PRO 12 -8.286 -5.927 2.356 84 HG2 PRO 12 HG2 PRO 12 -9.110 -5.937 -0.505 85 HG3 PRO 12 HG3 PRO 12 -10.103 -5.817 0.956 86 HD2 PRO 12 HD2 PRO 12 -9.463 -3.672 -0.593 87 HD3 PRO 12 HD3 PRO 12 -9.778 -3.557 1.152 88 H VAL 13 H VAL 13 -7.375 -5.082 -1.471 89 HA VAL 13 HA VAL 13 -5.184 -6.741 -2.250 90 HB VAL 13 HB VAL 13 -5.782 -5.958 -4.539 91 HG11 VAL 13 HG11 VAL 13 -7.972 -6.876 -4.554 92 HG12 VAL 13 HG12 VAL 13 -8.306 -6.312 -2.918 93 HG13 VAL 13 HG13 VAL 13 -7.169 -7.634 -3.179 94 HG21 VAL 13 HG21 VAL 13 -7.468 -3.959 -2.998 95 HG22 VAL 13 HG22 VAL 13 -7.691 -4.310 -4.711 96 HG23 VAL 13 HG23 VAL 13 -6.178 -3.605 -4.148 97 H VAL 14 H VAL 14 -5.460 -3.209 -1.973 98 HA VAL 14 HA VAL 14 -2.837 -2.706 -3.190 99 HB VAL 14 HB VAL 14 -4.717 -0.969 -1.546 100 HG11 VAL 14 HG11 VAL 14 -2.410 -0.249 -3.384 101 HG12 VAL 14 HG12 VAL 14 -2.440 -0.053 -1.631 102 HG13 VAL 14 HG13 VAL 14 -3.516 0.909 -2.643 103 HG21 VAL 14 HG21 VAL 14 -5.926 -1.612 -3.479 104 HG22 VAL 14 HG22 VAL 14 -4.487 -1.574 -4.496 105 HG23 VAL 14 HG23 VAL 14 -5.206 -0.066 -3.929 106 H ALA 15 H ALA 15 -4.208 -2.654 0.122 107 HA ALA 15 HA ALA 15 -1.833 -1.912 1.522 108 HB1 ALA 15 HB1 ALA 15 -3.045 -2.854 3.453 109 HB2 ALA 15 HB2 ALA 15 -4.138 -3.703 2.361 110 HB3 ALA 15 HB3 ALA 15 -4.147 -1.940 2.424 111 H LEU 16 H LEU 16 -3.082 -5.128 0.577 112 HA LEU 16 HA LEU 16 -1.111 -6.725 1.905 113 HB2 LEU 16 HB2 LEU 16 -3.298 -7.445 0.881 114 HB3 LEU 16 HB3 LEU 16 -2.564 -7.247 -0.710 115 HG LEU 16 HG LEU 16 -0.752 -8.807 0.812 116 HD11 LEU 16 HD11 LEU 16 -2.844 -9.164 2.263 117 HD12 LEU 16 HD12 LEU 16 -2.041 -10.615 1.664 118 HD13 LEU 16 HD13 LEU 16 -3.513 -10.036 0.884 119 HD21 LEU 16 HD21 LEU 16 -1.461 -10.569 -0.861 120 HD22 LEU 16 HD22 LEU 16 -1.018 -9.021 -1.580 121 HD23 LEU 16 HD23 LEU 16 -2.718 -9.457 -1.404 122 H VAL 17 H VAL 17 -1.187 -5.362 -1.411 123 HA VAL 17 HA VAL 17 1.297 -6.491 -2.307 124 HB VAL 17 HB VAL 17 -0.304 -4.023 -3.059 125 HG11 VAL 17 HG11 VAL 17 1.028 -4.143 -5.214 126 HG12 VAL 17 HG12 VAL 17 2.131 -5.244 -4.387 127 HG13 VAL 17 HG13 VAL 17 1.941 -3.587 -3.812 128 HG21 VAL 17 HG21 VAL 17 -1.224 -5.373 -4.775 129 HG22 VAL 17 HG22 VAL 17 -1.188 -6.439 -3.372 130 HG23 VAL 17 HG23 VAL 17 0.048 -6.585 -4.621 131 H VAL 18 H VAL 18 0.522 -3.463 -0.591 132 HA VAL 18 HA VAL 18 3.126 -2.259 -0.739 133 HB VAL 18 HB VAL 18 0.822 -2.054 1.228 134 HG11 VAL 18 HG11 VAL 18 2.675 -1.207 2.445 135 HG12 VAL 18 HG12 VAL 18 1.941 0.222 1.717 136 HG13 VAL 18 HG13 VAL 18 3.393 -0.482 1.006 137 HG21 VAL 18 HG21 VAL 18 -0.071 -0.530 -0.208 138 HG22 VAL 18 HG22 VAL 18 0.974 -1.291 -1.408 139 HG23 VAL 18 HG23 VAL 18 1.501 0.176 -0.584 140 H MET 19 H MET 19 1.622 -4.380 1.730 141 HA MET 19 HA MET 19 3.800 -4.397 3.585 142 HB2 MET 19 HB2 MET 19 1.361 -5.957 2.973 143 HB3 MET 19 HB3 MET 19 2.606 -6.855 3.840 144 HG2 MET 19 HG2 MET 19 2.692 -5.141 5.576 145 HG3 MET 19 HG3 MET 19 1.537 -4.146 4.688 146 HE1 MET 19 HE1 MET 19 -0.721 -4.722 4.097 147 HE2 MET 19 HE2 MET 19 -0.832 -4.036 5.716 148 HE3 MET 19 HE3 MET 19 -1.808 -5.440 5.292 149 H SER 20 H SER 20 3.106 -6.449 0.745 150 HA SER 20 HA SER 20 5.259 -8.319 1.097 151 HB2 SER 20 HB2 SER 20 3.121 -7.985 -0.587 152 HB3 SER 20 HB3 SER 20 4.460 -7.581 -1.657 153 HG SER 20 HG SER 20 3.759 -9.987 -0.480 154 H ARG 21 H ARG 21 5.161 -5.038 -0.178 155 HA ARG 21 HA ARG 21 8.015 -5.278 -1.064 156 HB2 ARG 21 HB2 ARG 21 5.587 -3.943 -2.032 157 HB3 ARG 21 HB3 ARG 21 6.972 -2.853 -1.953 158 HG2 ARG 21 HG2 ARG 21 7.633 -3.740 -3.921 159 HG3 ARG 21 HG3 ARG 21 8.034 -5.201 -3.020 160 HD2 ARG 21 HD2 ARG 21 6.546 -6.165 -4.493 161 HD3 ARG 21 HD3 ARG 21 5.344 -5.550 -3.342 162 HE ARG 21 HE ARG 21 4.829 -3.789 -4.864 163 HH11 ARG 21 HH11 ARG 21 5.744 -6.041 -6.837 164 HH12 ARG 21 HH12 ARG 21 6.699 -5.102 -7.935 165 HH21 ARG 21 HH21 ARG 21 6.887 -2.346 -5.824 166 HH22 ARG 21 HH22 ARG 21 7.350 -3.002 -7.358 167 H PHE 22 H PHE 22 6.735 -4.696 1.754 168 HA PHE 22 HA PHE 22 8.011 -2.035 2.256 169 HB2 PHE 22 HB2 PHE 22 5.606 -2.415 2.838 170 HB3 PHE 22 HB3 PHE 22 6.102 -3.702 3.935 171 HD1 PHE 22 HD1 PHE 22 6.360 -0.053 3.265 172 HD2 PHE 22 HD2 PHE 22 6.997 -3.217 6.100 173 HE1 PHE 22 HE2 PHE 22 6.773 1.624 5.044 174 HE2 PHE 22 HE1 PHE 22 7.410 -1.539 7.879 175 HZ PHE 22 HZ PHE 22 7.299 0.882 7.351 176 H GLY 23 H GLY 23 7.624 -5.191 3.946 177 HA2 GLY 23 HA2 GLY 23 9.929 -4.769 5.637 178 HA3 GLY 23 HA3 GLY 23 9.080 -6.300 5.426 179 H PHE 24 H PHE 24 9.393 -6.599 2.624 180 HA PHE 24 HA PHE 24 11.978 -7.811 2.434 181 HB2 PHE 24 HB2 PHE 24 9.602 -7.763 1.015 182 HB3 PHE 24 HB3 PHE 24 10.714 -6.954 -0.085 183 HD1 PHE 24 HD1 PHE 24 12.907 -8.091 -0.676 184 HD2 PHE 24 HD2 PHE 24 9.711 -10.114 1.360 185 HE1 PHE 24 HE1 PHE 24 13.901 -10.277 -1.288 186 HE2 PHE 24 HE2 PHE 24 10.707 -12.301 0.747 187 HZ PHE 24 HZ PHE 24 12.802 -12.383 -0.577 188 H PHE 25 H PHE 25 10.742 -4.731 1.079 189 HA PHE 25 HA PHE 25 13.175 -3.901 -0.186 190 HB2 PHE 25 HB2 PHE 25 10.775 -3.027 -0.426 191 HB3 PHE 25 HB3 PHE 25 11.060 -2.123 1.061 192 HD1 PHE 25 HD1 PHE 25 12.329 -2.649 -2.408 193 HD2 PHE 25 HD2 PHE 25 12.291 -0.093 1.044 194 HE1 PHE 25 HE2 PHE 25 13.487 -0.880 -3.706 195 HE2 PHE 25 HE1 PHE 25 13.448 1.676 -0.253 196 HZ PHE 25 HZ PHE 25 14.046 1.283 -2.628 197 H ALA 26 H ALA 26 11.923 -3.389 3.121 198 HA ALA 26 HA ALA 26 13.908 -1.555 4.046 199 HB1 ALA 26 HB1 ALA 26 13.095 -2.211 6.230 200 HB2 ALA 26 HB2 ALA 26 12.517 -3.755 5.606 201 HB3 ALA 26 HB3 ALA 26 11.721 -2.256 5.124 202 H HIS 27 H HIS 27 13.949 -5.085 3.715 203 HA HIS 27 HA HIS 27 16.734 -5.141 4.827 204 HB2 HIS 27 HB2 HIS 27 14.569 -7.248 4.502 205 HB3 HIS 27 HB3 HIS 27 16.197 -7.600 5.082 206 HD1 HIS 27 HD1 HIS 27 13.093 -7.298 6.515 207 HD2 HIS 27 HD2 HIS 27 16.657 -5.275 7.280 208 HE1 HIS 27 HE1 HIS 27 12.897 -6.364 8.861 209 H LEU 28 H LEU 28 16.708 -4.155 2.301 210 HA LEU 28 HA LEU 28 17.430 -6.498 0.564 211 HB2 LEU 28 HB2 LEU 28 15.372 -4.689 0.241 212 HB3 LEU 28 HB3 LEU 28 16.647 -3.968 -0.739 213 HG LEU 28 HG LEU 28 15.247 -5.524 -2.063 214 HD11 LEU 28 HD11 LEU 28 17.791 -5.211 -2.389 215 HD12 LEU 28 HD12 LEU 28 17.040 -6.609 -3.157 216 HD13 LEU 28 HD13 LEU 28 17.949 -6.808 -1.658 217 HD21 LEU 28 HD21 LEU 28 16.346 -7.950 -0.815 218 HD22 LEU 28 HD22 LEU 28 14.702 -7.609 -1.352 219 HD23 LEU 28 HD23 LEU 28 15.240 -7.063 0.235 220 H LEU 29 H LEU 29 17.920 -2.929 0.479 221 HA LEU 29 HA LEU 29 20.848 -3.275 0.620 222 HB2 LEU 29 HB2 LEU 29 19.732 -3.639 -1.791 223 HB3 LEU 29 HB3 LEU 29 19.823 -1.880 -1.819 224 HG LEU 29 HG LEU 29 21.847 -2.861 -2.809 225 HD11 LEU 29 HD11 LEU 29 21.817 -0.800 -1.129 226 HD12 LEU 29 HD12 LEU 29 23.334 -1.429 -1.768 227 HD13 LEU 29 HD13 LEU 29 22.804 -1.883 -0.149 228 HD21 LEU 29 HD21 LEU 29 22.492 -4.036 -0.101 229 HD22 LEU 29 HD22 LEU 29 23.266 -4.365 -1.651 230 HD23 LEU 29 HD23 LEU 29 21.641 -4.970 -1.331 231 HA PRO 30 HA PRO 30 19.792 0.701 2.456 232 HB2 PRO 30 HB2 PRO 30 22.198 1.039 3.721 233 HB3 PRO 30 HB3 PRO 30 20.907 0.004 4.362 234 HG2 PRO 30 HG2 PRO 30 23.375 -0.749 2.879 235 HG3 PRO 30 HG3 PRO 30 22.581 -1.561 4.237 236 HD2 PRO 30 HD2 PRO 30 22.358 -2.385 1.642 237 HD3 PRO 30 HD3 PRO 30 21.118 -2.679 2.880 238 H ARG 31 H ARG 31 19.818 1.700 0.300 239 HA ARG 31 HA ARG 31 20.625 3.183 -1.334 240 HB2 ARG 31 HB2 ARG 31 22.334 3.730 1.100 241 HB3 ARG 31 HB3 ARG 31 22.506 4.683 -0.373 242 HG2 ARG 31 HG2 ARG 31 19.912 4.945 -0.219 243 HG3 ARG 31 HG3 ARG 31 20.131 4.468 1.465 244 HD2 ARG 31 HD2 ARG 31 21.285 6.410 2.009 245 HD3 ARG 31 HD3 ARG 31 21.909 6.622 0.361 246 HE ARG 31 HE ARG 31 19.096 7.213 1.196 247 HH11 ARG 31 HH11 ARG 31 19.203 6.525 -1.664 248 HH12 ARG 31 HH12 ARG 31 19.549 8.043 -2.423 249 HH21 ARG 31 HH21 ARG 31 20.642 9.557 0.509 250 HH22 ARG 31 HH22 ARG 31 20.368 9.766 -1.188 Start of MODEL 18 1 HA ASP 1 HA ASP 1 -19.777 -13.878 9.878 2 HB2 ASP 1 HB2 ASP 1 -22.070 -14.908 9.560 3 HB3 ASP 1 HB3 ASP 1 -20.797 -16.075 9.901 4 H THR 2 H THR 2 -19.705 -12.145 12.187 5 HA THR 2 HA THR 2 -22.406 -10.852 12.159 6 HB THR 2 HB THR 2 -20.025 -10.420 13.997 7 HG1 THR 2 HG1 THR 2 -20.883 -11.937 15.282 8 HG21 THR 2 HG21 THR 2 -21.599 -8.573 14.041 9 HG22 THR 2 HG22 THR 2 -21.808 -9.521 15.513 10 HG23 THR 2 HG23 THR 2 -22.960 -9.686 14.187 11 H GLU 3 H GLU 3 -22.262 -9.604 10.239 12 HA GLU 3 HA GLU 3 -20.604 -7.183 10.406 13 HB2 GLU 3 HB2 GLU 3 -19.668 -9.519 9.083 14 HB3 GLU 3 HB3 GLU 3 -20.110 -8.370 7.821 15 HG2 GLU 3 HG2 GLU 3 -18.460 -6.897 8.393 16 HG3 GLU 3 HG3 GLU 3 -18.620 -7.231 10.117 17 H ILE 4 H ILE 4 -22.246 -5.742 9.980 18 HA ILE 4 HA ILE 4 -23.914 -6.211 7.532 19 HB ILE 4 HB ILE 4 -25.765 -5.118 8.843 20 HG12 ILE 4 HG12 ILE 4 -24.074 -5.605 11.297 21 HG13 ILE 4 HG13 ILE 4 -24.032 -4.050 10.464 22 HG21 ILE 4 HG21 ILE 4 -26.377 -7.095 9.997 23 HG22 ILE 4 HG22 ILE 4 -24.698 -7.514 10.340 24 HG23 ILE 4 HG23 ILE 4 -25.323 -7.651 8.696 25 HD11 ILE 4 HD11 ILE 4 -25.713 -3.778 12.108 26 HD12 ILE 4 HD12 ILE 4 -26.377 -5.385 11.815 27 HD13 ILE 4 HD13 ILE 4 -26.608 -4.104 10.624 28 H ILE 5 H ILE 5 -24.864 -4.107 6.717 29 HA ILE 5 HA ILE 5 -24.554 -1.926 5.879 30 HB ILE 5 HB ILE 5 -23.268 -1.540 8.604 31 HG12 ILE 5 HG12 ILE 5 -26.157 -0.977 7.973 32 HG13 ILE 5 HG13 ILE 5 -25.666 -2.612 8.413 33 HG21 ILE 5 HG21 ILE 5 -22.905 0.385 7.203 34 HG22 ILE 5 HG22 ILE 5 -24.227 0.784 8.300 35 HG23 ILE 5 HG23 ILE 5 -24.572 0.347 6.626 36 HD11 ILE 5 HD11 ILE 5 -26.290 -1.538 10.458 37 HD12 ILE 5 HD12 ILE 5 -25.370 -0.088 10.054 38 HD13 ILE 5 HD13 ILE 5 -24.527 -1.585 10.451 39 H GLY 6 H GLY 6 -22.967 -2.775 4.316 40 HA2 GLY 6 HA2 GLY 6 -20.108 -2.591 4.995 41 HA3 GLY 6 HA3 GLY 6 -20.773 -3.064 3.432 42 H GLY 7 H GLY 7 -20.211 -0.244 5.530 43 HA2 GLY 7 HA2 GLY 7 -20.847 1.695 3.463 44 HA3 GLY 7 HA3 GLY 7 -20.043 2.044 4.993 45 H LEU 8 H LEU 8 -17.716 0.799 4.989 46 HA LEU 8 HA LEU 8 -16.381 1.556 2.407 47 HB2 LEU 8 HB2 LEU 8 -16.175 2.859 4.770 48 HB3 LEU 8 HB3 LEU 8 -14.907 1.653 4.997 49 HG LEU 8 HG LEU 8 -14.098 2.339 2.639 50 HD11 LEU 8 HD11 LEU 8 -16.153 3.611 2.059 51 HD12 LEU 8 HD12 LEU 8 -14.709 4.617 1.958 52 HD13 LEU 8 HD13 LEU 8 -15.787 4.760 3.345 53 HD21 LEU 8 HD21 LEU 8 -13.934 4.165 5.051 54 HD22 LEU 8 HD22 LEU 8 -12.937 4.383 3.613 55 HD23 LEU 8 HD23 LEU 8 -12.789 2.911 4.572 56 H THR 9 H THR 9 -17.190 -1.020 2.510 57 HA THR 9 HA THR 9 -15.136 -2.739 3.754 58 HB THR 9 HB THR 9 -16.599 -4.506 2.579 59 HG1 THR 9 HG1 THR 9 -17.542 -3.265 1.009 60 HG21 THR 9 HG21 THR 9 -16.816 -3.711 4.977 61 HG22 THR 9 HG22 THR 9 -18.296 -4.358 4.267 62 HG23 THR 9 HG23 THR 9 -18.080 -2.615 4.417 63 H ILE 10 H ILE 10 -13.437 -1.559 2.341 64 HA ILE 10 HA ILE 10 -13.389 -2.251 -0.515 65 HB ILE 10 HB ILE 10 -11.210 -1.071 -0.431 66 HG12 ILE 10 HG12 ILE 10 -11.207 -0.066 2.224 67 HG13 ILE 10 HG13 ILE 10 -11.367 -1.817 2.354 68 HG21 ILE 10 HG21 ILE 10 -13.552 0.094 -0.333 69 HG22 ILE 10 HG22 ILE 10 -12.099 1.056 -0.062 70 HG23 ILE 10 HG23 ILE 10 -13.072 0.522 1.309 71 HD11 ILE 10 HD11 ILE 10 -9.315 -0.530 0.548 72 HD12 ILE 10 HD12 ILE 10 -9.369 -2.198 1.117 73 HD13 ILE 10 HD13 ILE 10 -8.975 -0.896 2.239 74 HA PRO 11 HA PRO 11 -11.288 -6.096 -0.068 75 HB2 PRO 11 HB2 PRO 11 -9.997 -6.208 -2.481 76 HB3 PRO 11 HB3 PRO 11 -11.743 -6.470 -2.305 77 HG2 PRO 11 HG2 PRO 11 -10.274 -4.047 -3.212 78 HG3 PRO 11 HG3 PRO 11 -11.799 -4.728 -3.797 79 HD2 PRO 11 HD2 PRO 11 -11.648 -2.576 -2.127 80 HD3 PRO 11 HD3 PRO 11 -13.036 -3.685 -2.182 81 HA PRO 12 HA PRO 12 -7.299 -4.642 1.326 82 HB2 PRO 12 HB2 PRO 12 -6.510 -6.963 2.536 83 HB3 PRO 12 HB3 PRO 12 -7.688 -5.847 3.251 84 HG2 PRO 12 HG2 PRO 12 -8.130 -8.434 1.879 85 HG3 PRO 12 HG3 PRO 12 -9.017 -7.699 3.221 86 HD2 PRO 12 HD2 PRO 12 -9.850 -7.730 0.578 87 HD3 PRO 12 HD3 PRO 12 -10.445 -6.617 1.827 88 H VAL 13 H VAL 13 -6.975 -4.823 -1.212 89 HA VAL 13 HA VAL 13 -5.080 -7.057 -1.858 90 HB VAL 13 HB VAL 13 -6.648 -5.145 -3.630 91 HG11 VAL 13 HG11 VAL 13 -4.986 -7.596 -4.295 92 HG12 VAL 13 HG12 VAL 13 -4.590 -5.929 -4.711 93 HG13 VAL 13 HG13 VAL 13 -5.988 -6.711 -5.445 94 HG21 VAL 13 HG21 VAL 13 -7.090 -8.057 -2.891 95 HG22 VAL 13 HG22 VAL 13 -7.976 -7.207 -4.157 96 HG23 VAL 13 HG23 VAL 13 -8.135 -6.698 -2.478 97 H VAL 14 H VAL 14 -5.543 -3.544 -2.473 98 HA VAL 14 HA VAL 14 -2.900 -3.019 -3.410 99 HB VAL 14 HB VAL 14 -4.935 -1.568 -3.626 100 HG11 VAL 14 HG11 VAL 14 -5.672 -1.848 -1.234 101 HG12 VAL 14 HG12 VAL 14 -5.642 -0.171 -1.780 102 HG13 VAL 14 HG13 VAL 14 -4.346 -0.788 -0.756 103 HG21 VAL 14 HG21 VAL 14 -3.742 0.532 -3.446 104 HG22 VAL 14 HG22 VAL 14 -2.591 -0.707 -3.942 105 HG23 VAL 14 HG23 VAL 14 -2.623 -0.153 -2.268 106 H ALA 15 H ALA 15 -4.232 -3.040 -0.097 107 HA ALA 15 HA ALA 15 -1.867 -1.978 1.193 108 HB1 ALA 15 HB1 ALA 15 -3.958 -3.838 2.356 109 HB2 ALA 15 HB2 ALA 15 -4.280 -2.132 2.042 110 HB3 ALA 15 HB3 ALA 15 -3.033 -2.596 3.199 111 H LEU 16 H LEU 16 -2.999 -5.271 0.432 112 HA LEU 16 HA LEU 16 -1.010 -6.740 1.872 113 HB2 LEU 16 HB2 LEU 16 -3.176 -7.530 0.786 114 HB3 LEU 16 HB3 LEU 16 -2.325 -7.480 -0.757 115 HG LEU 16 HG LEU 16 -0.561 -8.983 0.317 116 HD11 LEU 16 HD11 LEU 16 -2.779 -9.299 2.366 117 HD12 LEU 16 HD12 LEU 16 -1.203 -8.563 2.661 118 HD13 LEU 16 HD13 LEU 16 -1.315 -10.281 2.282 119 HD21 LEU 16 HD21 LEU 16 -1.938 -11.020 -0.003 120 HD22 LEU 16 HD22 LEU 16 -2.240 -9.834 -1.273 121 HD23 LEU 16 HD23 LEU 16 -3.398 -10.032 0.043 122 H VAL 17 H VAL 17 -0.947 -5.166 -1.303 123 HA VAL 17 HA VAL 17 1.589 -6.392 -2.114 124 HB VAL 17 HB VAL 17 -0.067 -4.060 -3.147 125 HG11 VAL 17 HG11 VAL 17 1.269 -4.278 -5.211 126 HG12 VAL 17 HG12 VAL 17 2.256 -5.522 -4.445 127 HG13 VAL 17 HG13 VAL 17 2.299 -3.866 -3.841 128 HG21 VAL 17 HG21 VAL 17 -1.140 -6.314 -3.240 129 HG22 VAL 17 HG22 VAL 17 0.241 -6.908 -4.161 130 HG23 VAL 17 HG23 VAL 17 -0.807 -5.665 -4.846 131 H VAL 18 H VAL 18 0.545 -3.328 -0.634 132 HA VAL 18 HA VAL 18 3.137 -2.026 -0.822 133 HB VAL 18 HB VAL 18 0.670 -1.542 0.881 134 HG11 VAL 18 HG11 VAL 18 3.225 0.013 0.508 135 HG12 VAL 18 HG12 VAL 18 2.360 -0.350 2.001 136 HG13 VAL 18 HG13 VAL 18 1.715 0.848 0.879 137 HG21 VAL 18 HG21 VAL 18 1.484 0.194 -1.410 138 HG22 VAL 18 HG22 VAL 18 -0.130 -0.233 -0.843 139 HG23 VAL 18 HG23 VAL 18 0.802 -1.385 -1.798 140 H MET 19 H MET 19 1.464 -3.871 1.759 141 HA MET 19 HA MET 19 3.352 -3.365 3.846 142 HB2 MET 19 HB2 MET 19 2.294 -5.290 4.916 143 HB3 MET 19 HB3 MET 19 1.065 -4.343 4.082 144 HG2 MET 19 HG2 MET 19 0.941 -5.906 2.283 145 HG3 MET 19 HG3 MET 19 2.412 -6.727 2.798 146 HE1 MET 19 HE1 MET 19 -0.724 -5.649 5.328 147 HE2 MET 19 HE2 MET 19 -1.773 -6.809 4.518 148 HE3 MET 19 HE3 MET 19 -0.963 -5.558 3.579 149 H SER 20 H SER 20 3.427 -5.675 1.165 150 HA SER 20 HA SER 20 5.775 -7.098 2.250 151 HB2 SER 20 HB2 SER 20 3.816 -7.349 0.061 152 HB3 SER 20 HB3 SER 20 5.445 -7.841 -0.391 153 HG SER 20 HG SER 20 5.402 -9.401 1.101 154 H ARG 21 H ARG 21 5.066 -4.486 -0.003 155 HA ARG 21 HA ARG 21 7.474 -4.416 -1.518 156 HB2 ARG 21 HB2 ARG 21 5.257 -2.597 -0.742 157 HB3 ARG 21 HB3 ARG 21 6.729 -1.806 -1.307 158 HG2 ARG 21 HG2 ARG 21 6.665 -2.975 -3.398 159 HG3 ARG 21 HG3 ARG 21 5.409 -4.071 -2.820 160 HD2 ARG 21 HD2 ARG 21 4.515 -2.254 -4.321 161 HD3 ARG 21 HD3 ARG 21 3.801 -2.214 -2.698 162 HE ARG 21 HE ARG 21 5.020 -0.217 -2.245 163 HH11 ARG 21 HH11 ARG 21 4.636 0.332 -5.191 164 HH12 ARG 21 HH12 ARG 21 6.247 0.730 -5.689 165 HH21 ARG 21 HH21 ARG 21 7.734 -0.618 -2.850 166 HH22 ARG 21 HH22 ARG 21 8.007 0.188 -4.357 167 H PHE 22 H PHE 22 6.675 -2.383 1.353 168 HA PHE 22 HA PHE 22 9.372 -1.411 1.654 169 HB2 PHE 22 HB2 PHE 22 8.425 -0.138 3.326 170 HB3 PHE 22 HB3 PHE 22 6.942 -0.651 2.530 171 HD1 PHE 22 HD1 PHE 22 9.126 -1.111 5.461 172 HD2 PHE 22 HD2 PHE 22 5.493 -2.353 3.535 173 HE1 PHE 22 HE1 PHE 22 8.386 -2.202 7.561 174 HE2 PHE 22 HE2 PHE 22 4.754 -3.444 5.635 175 HZ PHE 22 HZ PHE 22 6.200 -3.369 7.648 176 H GLY 23 H GLY 23 7.668 -4.222 2.985 177 HA2 GLY 23 HA2 GLY 23 9.581 -4.868 5.031 178 HA3 GLY 23 HA3 GLY 23 8.442 -6.004 4.305 179 H PHE 24 H PHE 24 9.278 -5.818 1.609 180 HA PHE 24 HA PHE 24 11.473 -7.663 1.542 181 HB2 PHE 24 HB2 PHE 24 9.689 -6.225 -0.295 182 HB3 PHE 24 HB3 PHE 24 11.293 -6.484 -0.975 183 HD1 PHE 24 HD1 PHE 24 12.294 -8.920 -0.550 184 HD2 PHE 24 HD2 PHE 24 8.114 -7.934 -0.505 185 HE1 PHE 24 HE2 PHE 24 11.731 -11.294 -0.981 186 HE2 PHE 24 HE1 PHE 24 7.551 -10.309 -0.934 187 HZ PHE 24 HZ PHE 24 9.357 -11.989 -1.172 188 H PHE 25 H PHE 25 11.351 -4.224 0.487 189 HA PHE 25 HA PHE 25 14.119 -3.897 -0.053 190 HB2 PHE 25 HB2 PHE 25 11.723 -2.266 0.398 191 HB3 PHE 25 HB3 PHE 25 13.199 -1.449 0.911 192 HD1 PHE 25 HD1 PHE 25 11.516 -3.109 -1.954 193 HD2 PHE 25 HD2 PHE 25 14.835 -0.702 -0.672 194 HE1 PHE 25 HE1 PHE 25 12.080 -2.626 -4.321 195 HE2 PHE 25 HE2 PHE 25 15.399 -0.221 -3.038 196 HZ PHE 25 HZ PHE 25 14.023 -1.183 -4.863 197 H ALA 26 H ALA 26 12.350 -3.673 3.026 198 HA ALA 26 HA ALA 26 14.578 -2.601 4.556 199 HB1 ALA 26 HB1 ALA 26 12.036 -4.072 5.325 200 HB2 ALA 26 HB2 ALA 26 12.230 -2.324 5.199 201 HB3 ALA 26 HB3 ALA 26 13.081 -3.217 6.459 202 H HIS 27 H HIS 27 13.435 -5.879 3.784 203 HA HIS 27 HA HIS 27 15.642 -7.000 5.480 204 HB2 HIS 27 HB2 HIS 27 13.006 -8.108 4.467 205 HB3 HIS 27 HB3 HIS 27 14.203 -9.084 5.318 206 HD1 HIS 27 HD1 HIS 27 14.621 -8.543 7.844 207 HD2 HIS 27 HD2 HIS 27 11.581 -6.281 6.106 208 HE1 HIS 27 HE1 HIS 27 13.372 -7.435 9.749 209 H LEU 28 H LEU 28 16.413 -5.992 2.955 210 HA LEU 28 HA LEU 28 16.766 -8.488 1.319 211 HB2 LEU 28 HB2 LEU 28 15.800 -5.886 0.698 212 HB3 LEU 28 HB3 LEU 28 17.372 -6.035 -0.082 213 HG LEU 28 HG LEU 28 15.618 -6.834 -1.592 214 HD11 LEU 28 HD11 LEU 28 16.548 -8.993 -2.130 215 HD12 LEU 28 HD12 LEU 28 17.117 -9.219 -0.476 216 HD13 LEU 28 HD13 LEU 28 17.860 -7.994 -1.504 217 HD21 LEU 28 HD21 LEU 28 14.737 -8.218 0.868 218 HD22 LEU 28 HD22 LEU 28 14.655 -9.195 -0.598 219 HD23 LEU 28 HD23 LEU 28 13.791 -7.660 -0.512 220 H LEU 29 H LEU 29 18.423 -5.377 2.046 221 HA LEU 29 HA LEU 29 21.050 -6.748 1.674 222 HB2 LEU 29 HB2 LEU 29 20.369 -4.626 0.443 223 HB3 LEU 29 HB3 LEU 29 20.423 -3.799 1.999 224 HG LEU 29 HG LEU 29 22.834 -5.249 1.839 225 HD11 LEU 29 HD11 LEU 29 22.312 -3.711 -0.724 226 HD12 LEU 29 HD12 LEU 29 22.358 -5.470 -0.607 227 HD13 LEU 29 HD13 LEU 29 23.810 -4.526 -0.274 228 HD21 LEU 29 HD21 LEU 29 23.833 -2.997 1.772 229 HD22 LEU 29 HD22 LEU 29 22.463 -3.029 2.883 230 HD23 LEU 29 HD23 LEU 29 22.283 -2.314 1.282 231 HA PRO 30 HA PRO 30 21.079 -6.683 6.183 232 HB2 PRO 30 HB2 PRO 30 23.266 -8.307 6.450 233 HB3 PRO 30 HB3 PRO 30 21.635 -8.927 6.123 234 HG2 PRO 30 HG2 PRO 30 23.921 -8.534 4.264 235 HG3 PRO 30 HG3 PRO 30 22.705 -9.820 4.305 236 HD2 PRO 30 HD2 PRO 30 22.654 -7.714 2.551 237 HD3 PRO 30 HD3 PRO 30 21.215 -8.625 3.059 238 H ARG 31 H ARG 31 21.746 -4.510 6.525 239 HA ARG 31 HA ARG 31 24.708 -4.084 6.643 240 HB2 ARG 31 HB2 ARG 31 22.685 -2.801 4.962 241 HB3 ARG 31 HB3 ARG 31 23.586 -1.628 5.923 242 HG2 ARG 31 HG2 ARG 31 25.010 -3.812 4.405 243 HG3 ARG 31 HG3 ARG 31 24.562 -2.298 3.618 244 HD2 ARG 31 HD2 ARG 31 25.744 -1.121 5.594 245 HD3 ARG 31 HD3 ARG 31 26.464 -2.708 5.934 246 HE ARG 31 HE ARG 31 26.723 -1.333 3.280 247 HH11 ARG 31 HH11 ARG 31 29.048 -0.997 5.035 248 HH12 ARG 31 HH12 ARG 31 30.051 -2.352 4.639 249 HH21 ARG 31 HH21 ARG 31 27.488 -4.126 3.098 250 HH22 ARG 31 HH22 ARG 31 29.163 -4.133 3.539 Start of MODEL 19 1 HA ASP 1 HA ASP 1 -10.988 6.860 17.558 2 HB2 ASP 1 HB2 ASP 1 -12.552 9.322 16.983 3 HB3 ASP 1 HB3 ASP 1 -13.497 7.906 17.446 4 H THR 2 H THR 2 -13.158 5.558 17.176 5 HA THR 2 HA THR 2 -13.240 4.804 14.274 6 HB THR 2 HB THR 2 -14.192 2.646 15.350 7 HG1 THR 2 HG1 THR 2 -14.615 3.621 17.384 8 HG21 THR 2 HG21 THR 2 -11.787 3.135 14.525 9 HG22 THR 2 HG22 THR 2 -12.020 1.771 15.619 10 HG23 THR 2 HG23 THR 2 -11.386 3.296 16.235 11 H GLU 3 H GLU 3 -15.153 5.125 13.187 12 HA GLU 3 HA GLU 3 -17.606 5.736 14.804 13 HB2 GLU 3 HB2 GLU 3 -16.599 6.739 12.125 14 HB3 GLU 3 HB3 GLU 3 -18.214 7.088 12.741 15 HG2 GLU 3 HG2 GLU 3 -17.410 8.750 14.027 16 HG3 GLU 3 HG3 GLU 3 -16.266 7.646 14.794 17 H ILE 4 H ILE 4 -17.779 5.329 11.350 18 HA ILE 4 HA ILE 4 -19.191 2.716 11.758 19 HB ILE 4 HB ILE 4 -20.473 4.807 11.044 20 HG12 ILE 4 HG12 ILE 4 -21.577 3.527 9.066 21 HG13 ILE 4 HG13 ILE 4 -20.417 2.253 9.439 22 HG21 ILE 4 HG21 ILE 4 -20.202 5.691 8.871 23 HG22 ILE 4 HG22 ILE 4 -19.246 4.311 8.332 24 HG23 ILE 4 HG23 ILE 4 -18.548 5.486 9.446 25 HD11 ILE 4 HD11 ILE 4 -21.227 2.289 11.813 26 HD12 ILE 4 HD12 ILE 4 -22.471 1.808 10.660 27 HD13 ILE 4 HD13 ILE 4 -22.471 3.440 11.327 28 H ILE 5 H ILE 5 -16.699 4.393 9.920 29 HA ILE 5 HA ILE 5 -15.135 3.627 8.338 30 HB ILE 5 HB ILE 5 -15.859 0.975 9.638 31 HG12 ILE 5 HG12 ILE 5 -13.519 1.939 10.793 32 HG13 ILE 5 HG13 ILE 5 -14.521 3.382 10.652 33 HG21 ILE 5 HG21 ILE 5 -13.072 1.375 8.973 34 HG22 ILE 5 HG22 ILE 5 -14.076 1.594 7.539 35 HG23 ILE 5 HG23 ILE 5 -14.161 0.089 8.454 36 HD11 ILE 5 HD11 ILE 5 -15.932 2.683 12.274 37 HD12 ILE 5 HD12 ILE 5 -14.700 1.485 12.669 38 HD13 ILE 5 HD13 ILE 5 -16.031 1.058 11.594 39 H GLY 6 H GLY 6 -17.567 4.067 7.154 40 HA2 GLY 6 HA2 GLY 6 -17.999 1.674 5.406 41 HA3 GLY 6 HA3 GLY 6 -19.246 2.875 5.748 42 H GLY 7 H GLY 7 -16.376 2.188 3.871 43 HA2 GLY 7 HA2 GLY 7 -15.629 3.177 1.869 44 HA3 GLY 7 HA3 GLY 7 -17.104 4.145 1.864 45 H LEU 8 H LEU 8 -14.358 3.923 4.157 46 HA LEU 8 HA LEU 8 -13.565 6.709 3.569 47 HB2 LEU 8 HB2 LEU 8 -15.604 6.441 5.261 48 HB3 LEU 8 HB3 LEU 8 -14.313 6.080 6.406 49 HG LEU 8 HG LEU 8 -13.478 8.345 4.902 50 HD11 LEU 8 HD11 LEU 8 -16.258 8.672 6.071 51 HD12 LEU 8 HD12 LEU 8 -15.901 8.607 4.346 52 HD13 LEU 8 HD13 LEU 8 -15.278 9.935 5.326 53 HD21 LEU 8 HD21 LEU 8 -13.392 9.385 7.077 54 HD22 LEU 8 HD22 LEU 8 -12.983 7.684 7.300 55 HD23 LEU 8 HD23 LEU 8 -14.594 8.267 7.720 56 H THR 9 H THR 9 -12.232 4.086 3.452 57 HA THR 9 HA THR 9 -9.957 4.680 5.283 58 HB THR 9 HB THR 9 -10.943 1.848 4.956 59 HG1 THR 9 HG1 THR 9 -12.127 2.268 6.952 60 HG21 THR 9 HG21 THR 9 -8.736 2.723 6.109 61 HG22 THR 9 HG22 THR 9 -9.673 1.432 6.861 62 HG23 THR 9 HG23 THR 9 -9.826 3.089 7.448 63 H ILE 10 H ILE 10 -9.153 1.764 4.237 64 HA ILE 10 HA ILE 10 -8.420 2.558 1.452 65 HB ILE 10 HB ILE 10 -6.101 1.617 2.042 66 HG12 ILE 10 HG12 ILE 10 -7.017 2.174 4.878 67 HG13 ILE 10 HG13 ILE 10 -6.960 0.549 4.195 68 HG21 ILE 10 HG21 ILE 10 -6.891 4.091 3.595 69 HG22 ILE 10 HG22 ILE 10 -6.750 4.071 1.837 70 HG23 ILE 10 HG23 ILE 10 -5.337 3.740 2.839 71 HD11 ILE 10 HD11 ILE 10 -4.891 1.118 5.465 72 HD12 ILE 10 HD12 ILE 10 -4.596 2.445 4.340 73 HD13 ILE 10 HD13 ILE 10 -4.565 0.777 3.766 74 HA PRO 11 HA PRO 11 -9.465 -1.625 0.572 75 HB2 PRO 11 HB2 PRO 11 -7.955 -2.061 -1.668 76 HB3 PRO 11 HB3 PRO 11 -9.413 -1.049 -1.663 77 HG2 PRO 11 HG2 PRO 11 -6.554 -0.247 -1.617 78 HG3 PRO 11 HG3 PRO 11 -7.927 0.512 -2.434 79 HD2 PRO 11 HD2 PRO 11 -6.831 1.429 -0.096 80 HD3 PRO 11 HD3 PRO 11 -8.509 1.728 -0.595 81 HA PRO 12 HA PRO 12 -6.225 -3.933 2.550 82 HB2 PRO 12 HB2 PRO 12 -7.334 -6.424 2.304 83 HB3 PRO 12 HB3 PRO 12 -7.894 -5.223 3.485 84 HG2 PRO 12 HG2 PRO 12 -9.062 -5.979 0.855 85 HG3 PRO 12 HG3 PRO 12 -9.872 -5.571 2.375 86 HD2 PRO 12 HD2 PRO 12 -9.631 -3.839 0.280 87 HD3 PRO 12 HD3 PRO 12 -9.778 -3.323 1.975 88 H VAL 13 H VAL 13 -7.498 -5.025 -0.614 89 HA VAL 13 HA VAL 13 -5.379 -6.821 -1.286 90 HB VAL 13 HB VAL 13 -7.613 -6.575 -2.407 91 HG11 VAL 13 HG11 VAL 13 -8.037 -4.802 -3.953 92 HG12 VAL 13 HG12 VAL 13 -6.377 -4.217 -3.846 93 HG13 VAL 13 HG13 VAL 13 -7.470 -4.029 -2.474 94 HG21 VAL 13 HG21 VAL 13 -6.778 -6.979 -4.685 95 HG22 VAL 13 HG22 VAL 13 -5.748 -7.784 -3.501 96 HG23 VAL 13 HG23 VAL 13 -5.220 -6.277 -4.249 97 H VAL 14 H VAL 14 -5.654 -3.285 -1.688 98 HA VAL 14 HA VAL 14 -3.183 -3.045 -3.214 99 HB VAL 14 HB VAL 14 -5.403 -1.493 -2.712 100 HG11 VAL 14 HG11 VAL 14 -3.079 -0.244 -1.209 101 HG12 VAL 14 HG12 VAL 14 -4.570 -0.842 -0.479 102 HG13 VAL 14 HG13 VAL 14 -4.616 0.544 -1.566 103 HG21 VAL 14 HG21 VAL 14 -4.197 0.263 -3.977 104 HG22 VAL 14 HG22 VAL 14 -3.923 -1.337 -4.665 105 HG23 VAL 14 HG23 VAL 14 -2.676 -0.578 -3.676 106 H ALA 15 H ALA 15 -4.082 -2.848 0.217 107 HA ALA 15 HA ALA 15 -1.537 -1.855 1.176 108 HB1 ALA 15 HB1 ALA 15 -3.566 -3.557 2.648 109 HB2 ALA 15 HB2 ALA 15 -3.838 -1.850 2.298 110 HB3 ALA 15 HB3 ALA 15 -2.490 -2.335 3.326 111 H LEU 16 H LEU 16 -2.907 -5.115 0.702 112 HA LEU 16 HA LEU 16 -0.816 -6.617 1.963 113 HB2 LEU 16 HB2 LEU 16 -3.183 -7.267 1.092 114 HB3 LEU 16 HB3 LEU 16 -2.387 -7.498 -0.465 115 HG LEU 16 HG LEU 16 -0.710 -8.986 0.792 116 HD11 LEU 16 HD11 LEU 16 -2.886 -8.664 2.872 117 HD12 LEU 16 HD12 LEU 16 -1.155 -8.385 3.067 118 HD13 LEU 16 HD13 LEU 16 -1.767 -10.028 2.870 119 HD21 LEU 16 HD21 LEU 16 -2.463 -9.884 -0.693 120 HD22 LEU 16 HD22 LEU 16 -3.622 -9.834 0.636 121 HD23 LEU 16 HD23 LEU 16 -2.243 -10.930 0.710 122 H VAL 17 H VAL 17 -1.229 -5.491 -1.409 123 HA VAL 17 HA VAL 17 1.125 -6.730 -2.496 124 HB VAL 17 HB VAL 17 -0.525 -4.284 -3.209 125 HG11 VAL 17 HG11 VAL 17 1.564 -3.808 -4.225 126 HG12 VAL 17 HG12 VAL 17 0.632 -4.599 -5.497 127 HG13 VAL 17 HG13 VAL 17 1.858 -5.505 -4.609 128 HG21 VAL 17 HG21 VAL 17 -0.293 -7.012 -4.518 129 HG22 VAL 17 HG22 VAL 17 -1.444 -5.742 -4.929 130 HG23 VAL 17 HG23 VAL 17 -1.561 -6.568 -3.376 131 H VAL 18 H VAL 18 0.562 -3.574 -0.931 132 HA VAL 18 HA VAL 18 3.252 -2.562 -1.335 133 HB VAL 18 HB VAL 18 1.037 -1.882 0.635 134 HG11 VAL 18 HG11 VAL 18 3.229 -1.069 1.426 135 HG12 VAL 18 HG12 VAL 18 2.215 0.275 0.900 136 HG13 VAL 18 HG13 VAL 18 3.515 -0.308 -0.139 137 HG21 VAL 18 HG21 VAL 18 1.634 0.012 -1.510 138 HG22 VAL 18 HG22 VAL 18 0.088 -0.689 -1.038 139 HG23 VAL 18 HG23 VAL 18 1.154 -1.565 -2.137 140 H MET 19 H MET 19 1.663 -4.497 1.184 141 HA MET 19 HA MET 19 3.606 -4.295 3.256 142 HB2 MET 19 HB2 MET 19 1.223 -5.421 3.051 143 HB3 MET 19 HB3 MET 19 2.155 -6.856 2.625 144 HG2 MET 19 HG2 MET 19 3.057 -5.322 5.017 145 HG3 MET 19 HG3 MET 19 1.563 -6.246 5.173 146 HE1 MET 19 HE1 MET 19 1.361 -8.402 5.726 147 HE2 MET 19 HE2 MET 19 2.411 -9.767 5.350 148 HE3 MET 19 HE3 MET 19 1.555 -8.938 4.052 149 H SER 20 H SER 20 3.344 -6.757 0.637 150 HA SER 20 HA SER 20 5.738 -8.193 1.275 151 HB2 SER 20 HB2 SER 20 3.810 -8.786 -0.304 152 HB3 SER 20 HB3 SER 20 4.564 -7.717 -1.482 153 HG SER 20 HG SER 20 5.123 -10.217 -1.089 154 H ARG 21 H ARG 21 5.157 -5.393 -0.856 155 HA ARG 21 HA ARG 21 7.835 -5.131 -1.879 156 HB2 ARG 21 HB2 ARG 21 5.685 -4.121 -2.749 157 HB3 ARG 21 HB3 ARG 21 5.721 -3.002 -1.388 158 HG2 ARG 21 HG2 ARG 21 8.264 -2.733 -2.406 159 HG3 ARG 21 HG3 ARG 21 7.312 -2.991 -3.868 160 HD2 ARG 21 HD2 ARG 21 6.475 -0.991 -1.748 161 HD3 ARG 21 HD3 ARG 21 7.526 -0.549 -3.109 162 HE ARG 21 HE ARG 21 4.902 -1.891 -3.630 163 HH11 ARG 21 HH11 ARG 21 6.613 -1.050 -5.914 164 HH12 ARG 21 HH12 ARG 21 5.951 0.494 -6.334 165 HH21 ARG 21 HH21 ARG 21 4.257 0.876 -3.322 166 HH22 ARG 21 HH22 ARG 21 4.611 1.589 -4.859 167 H PHE 22 H PHE 22 6.154 -3.658 0.912 168 HA PHE 22 HA PHE 22 8.314 -1.979 1.796 169 HB2 PHE 22 HB2 PHE 22 5.749 -3.088 2.850 170 HB3 PHE 22 HB3 PHE 22 6.887 -2.459 4.039 171 HD1 PHE 22 HD1 PHE 22 6.546 -1.199 0.553 172 HD2 PHE 22 HD2 PHE 22 5.672 -0.499 4.703 173 HE1 PHE 22 HE1 PHE 22 5.837 1.115 0.016 174 HE2 PHE 22 HE2 PHE 22 4.966 1.815 4.162 175 HZ PHE 22 HZ PHE 22 5.048 2.622 1.818 176 H GLY 23 H GLY 23 7.391 -5.337 2.600 177 HA2 GLY 23 HA2 GLY 23 9.257 -5.768 4.708 178 HA3 GLY 23 HA3 GLY 23 8.598 -7.038 3.676 179 H PHE 24 H PHE 24 9.591 -6.191 1.179 180 HA PHE 24 HA PHE 24 12.242 -7.268 1.162 181 HB2 PHE 24 HB2 PHE 24 10.271 -6.150 -0.672 182 HB3 PHE 24 HB3 PHE 24 11.903 -5.654 -1.124 183 HD1 PHE 24 HD1 PHE 24 9.645 -8.528 -0.612 184 HD2 PHE 24 HD2 PHE 24 13.578 -7.282 -1.809 185 HE1 PHE 24 HE1 PHE 24 10.074 -10.783 -1.551 186 HE2 PHE 24 HE2 PHE 24 14.008 -9.537 -2.746 187 HZ PHE 24 HZ PHE 24 12.257 -11.288 -2.617 188 H PHE 25 H PHE 25 11.053 -3.902 1.130 189 HA PHE 25 HA PHE 25 13.666 -2.671 0.893 190 HB2 PHE 25 HB2 PHE 25 10.843 -1.920 1.338 191 HB3 PHE 25 HB3 PHE 25 12.008 -0.811 2.062 192 HD1 PHE 25 HD1 PHE 25 11.000 -2.455 -1.119 193 HD2 PHE 25 HD2 PHE 25 13.354 0.632 0.720 194 HE1 PHE 25 HE2 PHE 25 11.470 -1.483 -3.351 195 HE2 PHE 25 HE1 PHE 25 13.822 1.604 -1.512 196 HZ PHE 25 HZ PHE 25 12.881 0.546 -3.548 197 H ALA 26 H ALA 26 11.785 -3.904 3.607 198 HA ALA 26 HA ALA 26 13.056 -2.462 5.739 199 HB1 ALA 26 HB1 ALA 26 12.022 -5.309 5.819 200 HB2 ALA 26 HB2 ALA 26 10.940 -3.919 5.717 201 HB3 ALA 26 HB3 ALA 26 11.998 -4.114 7.115 202 H HIS 27 H HIS 27 13.790 -5.652 4.278 203 HA HIS 27 HA HIS 27 16.224 -5.975 5.901 204 HB2 HIS 27 HB2 HIS 27 14.469 -7.694 4.834 205 HB3 HIS 27 HB3 HIS 27 15.601 -7.628 3.484 206 HD1 HIS 27 HD1 HIS 27 18.288 -7.762 4.521 207 HD2 HIS 27 HD2 HIS 27 15.210 -9.700 6.557 208 HE1 HIS 27 HE1 HIS 27 19.387 -9.519 5.976 209 H LEU 28 H LEU 28 15.393 -5.094 2.555 210 HA LEU 28 HA LEU 28 18.297 -4.618 1.981 211 HB2 LEU 28 HB2 LEU 28 15.894 -5.494 0.441 212 HB3 LEU 28 HB3 LEU 28 17.075 -4.512 -0.424 213 HG LEU 28 HG LEU 28 18.822 -6.165 0.621 214 HD11 LEU 28 HD11 LEU 28 17.154 -7.286 2.091 215 HD12 LEU 28 HD12 LEU 28 17.932 -8.418 0.986 216 HD13 LEU 28 HD13 LEU 28 16.296 -7.847 0.656 217 HD21 LEU 28 HD21 LEU 28 16.914 -6.861 -1.629 218 HD22 LEU 28 HD22 LEU 28 18.411 -7.740 -1.320 219 HD23 LEU 28 HD23 LEU 28 18.466 -6.033 -1.763 220 H LEU 29 H LEU 29 17.267 -2.659 3.529 221 HA LEU 29 HA LEU 29 15.915 -0.538 2.065 222 HB2 LEU 29 HB2 LEU 29 16.395 -1.219 4.696 223 HB3 LEU 29 HB3 LEU 29 17.475 0.156 4.470 224 HG LEU 29 HG LEU 29 14.753 0.481 3.343 225 HD11 LEU 29 HD11 LEU 29 15.173 0.653 6.337 226 HD12 LEU 29 HD12 LEU 29 14.434 -0.744 5.553 227 HD13 LEU 29 HD13 LEU 29 13.661 0.837 5.446 228 HD21 LEU 29 HD21 LEU 29 16.346 2.266 5.200 229 HD22 LEU 29 HD22 LEU 29 15.069 2.737 4.080 230 HD23 LEU 29 HD23 LEU 29 16.634 2.210 3.462 231 HA PRO 30 HA PRO 30 19.576 1.103 0.157 232 HB2 PRO 30 HB2 PRO 30 18.502 3.462 -0.720 233 HB3 PRO 30 HB3 PRO 30 18.173 1.903 -1.500 234 HG2 PRO 30 HG2 PRO 30 16.484 3.477 0.366 235 HG3 PRO 30 HG3 PRO 30 16.014 2.489 -1.025 236 HD2 PRO 30 HD2 PRO 30 15.792 1.690 1.595 237 HD3 PRO 30 HD3 PRO 30 15.908 0.581 0.213 238 H ARG 31 H ARG 31 20.619 3.516 0.164 239 HA ARG 31 HA ARG 31 21.141 4.148 2.982 240 HB2 ARG 31 HB2 ARG 31 22.672 4.098 0.803 241 HB3 ARG 31 HB3 ARG 31 22.142 5.775 0.672 242 HG2 ARG 31 HG2 ARG 31 24.106 5.920 1.970 243 HG3 ARG 31 HG3 ARG 31 22.813 5.967 3.169 244 HD2 ARG 31 HD2 ARG 31 23.092 3.371 3.248 245 HD3 ARG 31 HD3 ARG 31 24.669 3.685 2.496 246 HE ARG 31 HE ARG 31 24.106 5.414 4.793 247 HH11 ARG 31 HH11 ARG 31 26.867 4.685 4.115 248 HH12 ARG 31 HH12 ARG 31 27.252 3.456 5.273 249 HH21 ARG 31 HH21 ARG 31 23.934 2.840 6.106 250 HH22 ARG 31 HH22 ARG 31 25.584 2.407 6.407 Start of MODEL 20 1 HA ASP 1 HA ASP 1 -5.756 3.118 -7.311 2 HB2 ASP 1 HB2 ASP 1 -4.820 3.836 -9.482 3 HB3 ASP 1 HB3 ASP 1 -3.713 2.733 -8.667 4 H THR 2 H THR 2 -7.375 4.430 -8.427 5 HA THR 2 HA THR 2 -9.484 4.802 -9.418 6 HB THR 2 HB THR 2 -8.960 2.292 -11.023 7 HG1 THR 2 HG1 THR 2 -7.107 3.143 -11.512 8 HG21 THR 2 HG21 THR 2 -10.861 3.177 -11.927 9 HG22 THR 2 HG22 THR 2 -9.717 4.228 -12.763 10 HG23 THR 2 HG23 THR 2 -10.529 4.793 -11.302 11 H GLU 3 H GLU 3 -11.638 3.374 -9.994 12 HA GLU 3 HA GLU 3 -13.395 2.128 -9.037 13 HB2 GLU 3 HB2 GLU 3 -10.904 0.468 -8.887 14 HB3 GLU 3 HB3 GLU 3 -12.347 -0.135 -8.071 15 HG2 GLU 3 HG2 GLU 3 -13.631 0.064 -10.161 16 HG3 GLU 3 HG3 GLU 3 -12.205 0.697 -10.985 17 H ILE 4 H ILE 4 -13.251 4.048 -7.368 18 HA ILE 4 HA ILE 4 -12.390 3.110 -4.669 19 HB ILE 4 HB ILE 4 -12.761 5.527 -4.093 20 HG12 ILE 4 HG12 ILE 4 -13.017 6.133 -7.019 21 HG13 ILE 4 HG13 ILE 4 -14.470 5.677 -6.130 22 HG21 ILE 4 HG21 ILE 4 -11.031 5.108 -6.546 23 HG22 ILE 4 HG22 ILE 4 -10.566 4.652 -4.907 24 HG23 ILE 4 HG23 ILE 4 -10.823 6.350 -5.310 25 HD11 ILE 4 HD11 ILE 4 -14.097 7.473 -4.521 26 HD12 ILE 4 HD12 ILE 4 -14.094 8.146 -6.152 27 HD13 ILE 4 HD13 ILE 4 -12.571 7.891 -5.299 28 H ILE 5 H ILE 5 -14.459 1.600 -5.168 29 HA ILE 5 HA ILE 5 -17.022 2.919 -4.504 30 HB ILE 5 HB ILE 5 -16.229 0.031 -5.034 31 HG12 ILE 5 HG12 ILE 5 -17.890 1.115 -7.068 32 HG13 ILE 5 HG13 ILE 5 -16.627 2.308 -6.763 33 HG21 ILE 5 HG21 ILE 5 -18.740 -0.171 -5.486 34 HG22 ILE 5 HG22 ILE 5 -18.913 1.382 -4.667 35 HG23 ILE 5 HG23 ILE 5 -18.271 -0.010 -3.793 36 HD11 ILE 5 HD11 ILE 5 -16.114 0.456 -8.489 37 HD12 ILE 5 HD12 ILE 5 -15.974 -0.620 -7.099 38 HD13 ILE 5 HD13 ILE 5 -14.897 0.768 -7.251 39 H GLY 6 H GLY 6 -17.900 2.904 -2.462 40 HA2 GLY 6 HA2 GLY 6 -16.301 1.759 -0.262 41 HA3 GLY 6 HA3 GLY 6 -17.696 2.823 -0.081 42 H GLY 7 H GLY 7 -16.988 -0.451 -1.373 43 HA2 GLY 7 HA2 GLY 7 -19.660 -1.340 -0.404 44 HA3 GLY 7 HA3 GLY 7 -18.637 -2.223 -1.539 45 H LEU 8 H LEU 8 -16.220 -2.331 -0.247 46 HA LEU 8 HA LEU 8 -16.766 -3.508 2.448 47 HB2 LEU 8 HB2 LEU 8 -16.778 -5.117 0.388 48 HB3 LEU 8 HB3 LEU 8 -15.031 -4.876 0.393 49 HG LEU 8 HG LEU 8 -15.486 -5.372 3.039 50 HD11 LEU 8 HD11 LEU 8 -17.036 -7.276 3.182 51 HD12 LEU 8 HD12 LEU 8 -17.417 -7.109 1.468 52 HD13 LEU 8 HD13 LEU 8 -17.881 -5.841 2.603 53 HD21 LEU 8 HD21 LEU 8 -13.787 -6.426 1.573 54 HD22 LEU 8 HD22 LEU 8 -15.040 -7.444 0.864 55 HD23 LEU 8 HD23 LEU 8 -14.614 -7.627 2.566 56 H THR 9 H THR 9 -15.600 -1.033 2.185 57 HA THR 9 HA THR 9 -13.669 0.226 2.684 58 HB THR 9 HB THR 9 -12.726 -2.399 3.880 59 HG1 THR 9 HG1 THR 9 -14.594 -0.523 4.908 60 HG21 THR 9 HG21 THR 9 -11.113 -0.607 4.070 61 HG22 THR 9 HG22 THR 9 -11.869 -0.824 5.649 62 HG23 THR 9 HG23 THR 9 -12.359 0.518 4.614 63 H ILE 10 H ILE 10 -13.619 -0.661 0.077 64 HA ILE 10 HA ILE 10 -12.226 -1.043 -1.760 65 HB ILE 10 HB ILE 10 -10.212 0.097 -1.661 66 HG12 ILE 10 HG12 ILE 10 -9.451 -0.041 1.140 67 HG13 ILE 10 HG13 ILE 10 -9.608 -1.657 0.457 68 HG21 ILE 10 HG21 ILE 10 -10.582 2.018 -0.426 69 HG22 ILE 10 HG22 ILE 10 -11.157 1.131 0.985 70 HG23 ILE 10 HG23 ILE 10 -12.197 1.309 -0.428 71 HD11 ILE 10 HD11 ILE 10 -8.133 -1.018 -1.412 72 HD12 ILE 10 HD12 ILE 10 -7.324 -0.782 0.137 73 HD13 ILE 10 HD13 ILE 10 -7.979 0.604 -0.737 74 HA PRO 11 HA PRO 11 -10.555 -5.088 -1.619 75 HB2 PRO 11 HB2 PRO 11 -8.593 -5.033 -3.522 76 HB3 PRO 11 HB3 PRO 11 -10.321 -4.976 -3.918 77 HG2 PRO 11 HG2 PRO 11 -8.320 -2.791 -3.870 78 HG3 PRO 11 HG3 PRO 11 -9.714 -3.025 -4.933 79 HD2 PRO 11 HD2 PRO 11 -9.631 -1.289 -2.784 80 HD3 PRO 11 HD3 PRO 11 -11.115 -1.923 -3.527 81 HA PRO 12 HA PRO 12 -7.075 -4.711 1.154 82 HB2 PRO 12 HB2 PRO 12 -6.858 -7.362 1.792 83 HB3 PRO 12 HB3 PRO 12 -8.114 -6.302 2.463 84 HG2 PRO 12 HG2 PRO 12 -8.301 -8.304 0.275 85 HG3 PRO 12 HG3 PRO 12 -9.479 -7.884 1.527 86 HD2 PRO 12 HD2 PRO 12 -9.620 -7.017 -1.070 87 HD3 PRO 12 HD3 PRO 12 -10.351 -6.166 0.309 88 H VAL 13 H VAL 13 -7.122 -6.465 -1.828 89 HA VAL 13 HA VAL 13 -4.595 -7.752 -1.841 90 HB VAL 13 HB VAL 13 -6.431 -7.979 -3.516 91 HG11 VAL 13 HG11 VAL 13 -5.412 -5.422 -4.761 92 HG12 VAL 13 HG12 VAL 13 -6.770 -5.423 -3.637 93 HG13 VAL 13 HG13 VAL 13 -6.877 -6.323 -5.149 94 HG21 VAL 13 HG21 VAL 13 -4.143 -8.740 -4.054 95 HG22 VAL 13 HG22 VAL 13 -3.757 -7.138 -4.683 96 HG23 VAL 13 HG23 VAL 13 -4.964 -8.137 -5.493 97 H VAL 14 H VAL 14 -5.389 -4.344 -2.654 98 HA VAL 14 HA VAL 14 -2.697 -3.647 -3.460 99 HB VAL 14 HB VAL 14 -3.561 -1.321 -3.236 100 HG11 VAL 14 HG11 VAL 14 -4.086 -2.703 -5.239 101 HG12 VAL 14 HG12 VAL 14 -5.344 -1.517 -4.888 102 HG13 VAL 14 HG13 VAL 14 -5.587 -3.212 -4.465 103 HG21 VAL 14 HG21 VAL 14 -6.170 -1.367 -2.666 104 HG22 VAL 14 HG22 VAL 14 -4.959 -1.171 -1.400 105 HG23 VAL 14 HG23 VAL 14 -5.686 -2.750 -1.688 106 H ALA 15 H ALA 15 -4.436 -3.513 -0.351 107 HA ALA 15 HA ALA 15 -2.418 -2.089 1.130 108 HB1 ALA 15 HB1 ALA 15 -4.370 -4.183 2.135 109 HB2 ALA 15 HB2 ALA 15 -4.858 -2.540 1.715 110 HB3 ALA 15 HB3 ALA 15 -3.717 -2.812 3.031 111 H LEU 16 H LEU 16 -2.981 -5.548 0.488 112 HA LEU 16 HA LEU 16 -0.941 -6.601 2.219 113 HB2 LEU 16 HB2 LEU 16 -2.891 -7.785 1.105 114 HB3 LEU 16 HB3 LEU 16 -1.981 -7.720 -0.404 115 HG LEU 16 HG LEU 16 -0.445 -8.763 1.889 116 HD11 LEU 16 HD11 LEU 16 -2.673 -9.711 2.395 117 HD12 LEU 16 HD12 LEU 16 -1.553 -10.963 1.862 118 HD13 LEU 16 HD13 LEU 16 -2.773 -10.343 0.752 119 HD21 LEU 16 HD21 LEU 16 0.208 -8.723 -0.577 120 HD22 LEU 16 HD22 LEU 16 -1.008 -9.975 -0.831 121 HD23 LEU 16 HD23 LEU 16 0.371 -10.286 0.223 122 H VAL 17 H VAL 17 -0.865 -5.332 -1.094 123 HA VAL 17 HA VAL 17 1.852 -6.265 -1.649 124 HB VAL 17 HB VAL 17 -0.083 -4.334 -2.965 125 HG11 VAL 17 HG11 VAL 17 2.035 -3.544 -3.683 126 HG12 VAL 17 HG12 VAL 17 1.531 -4.653 -4.958 127 HG13 VAL 17 HG13 VAL 17 2.711 -5.172 -3.754 128 HG21 VAL 17 HG21 VAL 17 -0.597 -6.806 -2.951 129 HG22 VAL 17 HG22 VAL 17 0.909 -7.069 -3.831 130 HG23 VAL 17 HG23 VAL 17 -0.390 -6.129 -4.566 131 H VAL 18 H VAL 18 0.373 -3.270 -0.428 132 HA VAL 18 HA VAL 18 2.748 -1.625 -0.696 133 HB VAL 18 HB VAL 18 0.210 -1.457 0.959 134 HG11 VAL 18 HG11 VAL 18 2.440 0.567 0.597 135 HG12 VAL 18 HG12 VAL 18 1.882 -0.139 2.114 136 HG13 VAL 18 HG13 VAL 18 0.841 0.970 1.223 137 HG21 VAL 18 HG21 VAL 18 0.970 0.335 -1.330 138 HG22 VAL 18 HG22 VAL 18 -0.634 -0.131 -0.765 139 HG23 VAL 18 HG23 VAL 18 0.348 -1.279 -1.674 140 H MET 19 H MET 19 1.282 -3.328 2.114 141 HA MET 19 HA MET 19 3.275 -2.578 4.023 142 HB2 MET 19 HB2 MET 19 2.280 -4.371 5.353 143 HB3 MET 19 HB3 MET 19 1.008 -3.521 4.481 144 HG2 MET 19 HG2 MET 19 0.358 -5.582 3.796 145 HG3 MET 19 HG3 MET 19 1.723 -5.487 2.685 146 HE1 MET 19 HE1 MET 19 1.974 -9.137 3.850 147 HE2 MET 19 HE2 MET 19 2.035 -8.023 2.488 148 HE3 MET 19 HE3 MET 19 0.558 -8.160 3.438 149 H SER 20 H SER 20 3.293 -5.071 1.534 150 HA SER 20 HA SER 20 5.623 -6.465 2.691 151 HB2 SER 20 HB2 SER 20 5.362 -7.711 0.442 152 HB3 SER 20 HB3 SER 20 4.034 -7.842 1.589 153 HG SER 20 HG SER 20 2.801 -6.825 0.222 154 H ARG 21 H ARG 21 4.974 -3.949 0.326 155 HA ARG 21 HA ARG 21 7.314 -4.057 -1.278 156 HB2 ARG 21 HB2 ARG 21 5.190 -2.637 -1.462 157 HB3 ARG 21 HB3 ARG 21 5.921 -1.560 -0.274 158 HG2 ARG 21 HG2 ARG 21 7.409 -0.709 -1.774 159 HG3 ARG 21 HG3 ARG 21 7.687 -2.277 -2.532 160 HD2 ARG 21 HD2 ARG 21 6.540 -0.631 -4.060 161 HD3 ARG 21 HD3 ARG 21 5.573 -2.089 -3.771 162 HE ARG 21 HE ARG 21 4.192 -0.818 -2.210 163 HH11 ARG 21 HH11 ARG 21 6.098 1.176 -1.176 164 HH12 ARG 21 HH12 ARG 21 5.637 2.628 -1.998 165 HH21 ARG 21 HH21 ARG 21 3.809 0.971 -4.447 166 HH22 ARG 21 HH22 ARG 21 4.338 2.511 -3.859 167 H PHE 22 H PHE 22 6.782 -1.947 1.594 168 HA PHE 22 HA PHE 22 9.519 -1.108 1.824 169 HB2 PHE 22 HB2 PHE 22 6.997 -0.999 3.372 170 HB3 PHE 22 HB3 PHE 22 8.462 -0.880 4.346 171 HD1 PHE 22 HD1 PHE 22 10.196 0.870 3.765 172 HD2 PHE 22 HD2 PHE 22 6.282 0.810 1.995 173 HE1 PHE 22 HE2 PHE 22 10.480 3.228 3.056 174 HE2 PHE 22 HE1 PHE 22 6.567 3.168 1.285 175 HZ PHE 22 HZ PHE 22 8.666 4.378 1.815 176 H GLY 23 H GLY 23 7.722 -3.830 3.265 177 HA2 GLY 23 HA2 GLY 23 9.764 -4.675 5.089 178 HA3 GLY 23 HA3 GLY 23 8.472 -5.701 4.466 179 H PHE 24 H PHE 24 9.087 -5.526 1.692 180 HA PHE 24 HA PHE 24 11.075 -7.570 1.407 181 HB2 PHE 24 HB2 PHE 24 9.246 -6.010 -0.214 182 HB3 PHE 24 HB3 PHE 24 10.796 -6.166 -1.037 183 HD1 PHE 24 HD1 PHE 24 11.734 -8.402 -1.551 184 HD2 PHE 24 HD2 PHE 24 7.832 -7.933 0.182 185 HE1 PHE 24 HE2 PHE 24 11.186 -10.743 -2.153 186 HE2 PHE 24 HE1 PHE 24 7.283 -10.274 -0.421 187 HZ PHE 24 HZ PHE 24 8.960 -11.680 -1.588 188 H PHE 25 H PHE 25 11.230 -4.052 0.691 189 HA PHE 25 HA PHE 25 13.907 -3.928 -0.235 190 HB2 PHE 25 HB2 PHE 25 11.885 -2.190 0.092 191 HB3 PHE 25 HB3 PHE 25 12.824 -1.763 1.521 192 HD1 PHE 25 HD1 PHE 25 15.353 -1.301 1.188 193 HD2 PHE 25 HD2 PHE 25 12.500 -1.361 -2.023 194 HE1 PHE 25 HE1 PHE 25 16.920 -0.002 -0.229 195 HE2 PHE 25 HE2 PHE 25 14.067 -0.063 -3.440 196 HZ PHE 25 HZ PHE 25 16.278 0.616 -2.543 197 H ALA 26 H ALA 26 12.652 -3.824 3.106 198 HA ALA 26 HA ALA 26 15.228 -3.354 4.354 199 HB1 ALA 26 HB1 ALA 26 13.190 -2.753 5.483 200 HB2 ALA 26 HB2 ALA 26 13.882 -4.095 6.394 201 HB3 ALA 26 HB3 ALA 26 12.534 -4.378 5.291 202 H HIS 27 H HIS 27 13.277 -6.283 3.712 203 HA HIS 27 HA HIS 27 15.480 -7.985 4.786 204 HB2 HIS 27 HB2 HIS 27 12.774 -8.039 5.107 205 HB3 HIS 27 HB3 HIS 27 12.953 -9.154 3.754 206 HD1 HIS 27 HD1 HIS 27 14.276 -11.354 4.175 207 HD2 HIS 27 HD2 HIS 27 13.908 -8.948 7.558 208 HE1 HIS 27 HE1 HIS 27 14.982 -12.777 6.146 209 H LEU 28 H LEU 28 16.127 -6.705 2.351 210 HA LEU 28 HA LEU 28 15.609 -8.655 0.171 211 HB2 LEU 28 HB2 LEU 28 15.818 -5.911 0.318 212 HB3 LEU 28 HB3 LEU 28 17.417 -6.359 -0.270 213 HG LEU 28 HG LEU 28 15.992 -6.006 -2.191 214 HD11 LEU 28 HD11 LEU 28 17.548 -8.067 -2.061 215 HD12 LEU 28 HD12 LEU 28 16.324 -8.050 -3.330 216 HD13 LEU 28 HD13 LEU 28 16.067 -9.005 -1.870 217 HD21 LEU 28 HD21 LEU 28 13.952 -7.563 -2.436 218 HD22 LEU 28 HD22 LEU 28 13.794 -6.207 -1.320 219 HD23 LEU 28 HD23 LEU 28 14.100 -7.829 -0.699 220 H LEU 29 H LEU 29 18.379 -7.258 1.966 221 HA LEU 29 HA LEU 29 20.020 -9.612 1.081 222 HB2 LEU 29 HB2 LEU 29 20.588 -6.652 1.159 223 HB3 LEU 29 HB3 LEU 29 21.913 -7.812 1.251 224 HG LEU 29 HG LEU 29 19.853 -8.173 -0.894 225 HD11 LEU 29 HD11 LEU 29 20.383 -5.804 -1.081 226 HD12 LEU 29 HD12 LEU 29 21.211 -6.676 -2.371 227 HD13 LEU 29 HD13 LEU 29 22.109 -6.146 -0.949 228 HD21 LEU 29 HD21 LEU 29 21.950 -8.915 -2.108 229 HD22 LEU 29 HD22 LEU 29 21.555 -9.872 -0.680 230 HD23 LEU 29 HD23 LEU 29 22.833 -8.658 -0.603 231 HA PRO 30 HA PRO 30 20.605 -10.010 5.462 232 HB2 PRO 30 HB2 PRO 30 22.587 -11.896 5.410 233 HB3 PRO 30 HB3 PRO 30 20.885 -12.272 5.073 234 HG2 PRO 30 HG2 PRO 30 23.152 -11.923 3.192 235 HG3 PRO 30 HG3 PRO 30 21.764 -13.015 3.100 236 HD2 PRO 30 HD2 PRO 30 22.010 -10.664 1.683 237 HD3 PRO 30 HD3 PRO 30 20.470 -11.475 2.043 238 H ARG 31 H ARG 31 21.526 -7.876 5.825 239 HA ARG 31 HA ARG 31 24.511 -7.885 6.067 240 HB2 ARG 31 HB2 ARG 31 23.823 -6.759 3.974 241 HB3 ARG 31 HB3 ARG 31 22.751 -5.703 4.892 242 HG2 ARG 31 HG2 ARG 31 25.484 -5.723 5.948 243 HG3 ARG 31 HG3 ARG 31 25.407 -5.169 4.276 244 HD2 ARG 31 HD2 ARG 31 23.323 -4.072 6.103 245 HD3 ARG 31 HD3 ARG 31 24.982 -3.501 6.363 246 HE ARG 31 HE ARG 31 24.906 -2.442 4.242 247 HH11 ARG 31 HH11 ARG 31 21.861 -2.450 4.826 248 HH12 ARG 31 HH12 ARG 31 21.252 -2.987 3.296 249 HH21 ARG 31 HH21 ARG 31 24.340 -4.120 2.170 250 HH22 ARG 31 HH22 ARG 31 22.662 -3.934 1.787 Start of MODEL 21 1 HA ASP 1 HA ASP 1 -10.565 9.464 20.725 2 HB2 ASP 1 HB2 ASP 1 -13.044 11.070 21.365 3 HB3 ASP 1 HB3 ASP 1 -13.164 9.504 20.565 4 H THR 2 H THR 2 -10.319 9.004 18.569 5 HA THR 2 HA THR 2 -11.803 10.565 16.530 6 HB THR 2 HB THR 2 -9.684 11.795 17.022 7 HG1 THR 2 HG1 THR 2 -9.397 12.174 14.951 8 HG21 THR 2 HG21 THR 2 -8.403 9.207 16.092 9 HG22 THR 2 HG22 THR 2 -8.277 9.921 17.700 10 HG23 THR 2 HG23 THR 2 -7.540 10.728 16.317 11 H GLU 3 H GLU 3 -11.477 9.575 14.323 12 HA GLU 3 HA GLU 3 -10.413 6.819 14.261 13 HB2 GLU 3 HB2 GLU 3 -12.729 6.764 15.239 14 HB3 GLU 3 HB3 GLU 3 -13.335 7.460 13.738 15 HG2 GLU 3 HG2 GLU 3 -11.924 5.393 12.721 16 HG3 GLU 3 HG3 GLU 3 -12.346 4.709 14.291 17 H ILE 4 H ILE 4 -12.872 7.484 11.963 18 HA ILE 4 HA ILE 4 -12.829 7.973 9.671 19 HB ILE 4 HB ILE 4 -10.476 9.667 10.590 20 HG12 ILE 4 HG12 ILE 4 -13.099 10.897 10.001 21 HG13 ILE 4 HG13 ILE 4 -13.089 9.839 11.412 22 HG21 ILE 4 HG21 ILE 4 -11.041 11.032 8.573 23 HG22 ILE 4 HG22 ILE 4 -12.192 9.787 8.089 24 HG23 ILE 4 HG23 ILE 4 -10.470 9.415 8.161 25 HD11 ILE 4 HD11 ILE 4 -11.000 11.981 10.981 26 HD12 ILE 4 HD12 ILE 4 -11.352 11.094 12.464 27 HD13 ILE 4 HD13 ILE 4 -12.501 12.285 11.854 28 H ILE 5 H ILE 5 -9.305 8.283 10.012 29 HA ILE 5 HA ILE 5 -7.530 7.009 9.149 30 HB ILE 5 HB ILE 5 -9.616 4.799 9.208 31 HG12 ILE 5 HG12 ILE 5 -7.651 4.815 11.355 32 HG13 ILE 5 HG13 ILE 5 -8.579 6.314 11.342 33 HG21 ILE 5 HG21 ILE 5 -7.615 4.231 7.894 34 HG22 ILE 5 HG22 ILE 5 -7.642 3.320 9.404 35 HG23 ILE 5 HG23 ILE 5 -6.582 4.720 9.238 36 HD11 ILE 5 HD11 ILE 5 -10.675 4.895 11.185 37 HD12 ILE 5 HD12 ILE 5 -9.796 4.752 12.707 38 HD13 ILE 5 HD13 ILE 5 -9.655 3.487 11.486 39 H GLY 6 H GLY 6 -6.887 7.422 7.091 40 HA2 GLY 6 HA2 GLY 6 -8.764 7.395 4.857 41 HA3 GLY 6 HA3 GLY 6 -7.039 7.752 4.756 42 H GLY 7 H GLY 7 -9.285 5.013 5.234 43 HA2 GLY 7 HA2 GLY 7 -7.587 3.381 3.436 44 HA3 GLY 7 HA3 GLY 7 -7.849 2.761 5.066 45 H LEU 8 H LEU 8 -10.198 4.522 3.058 46 HA LEU 8 HA LEU 8 -11.960 2.098 3.158 47 HB2 LEU 8 HB2 LEU 8 -12.282 4.901 3.807 48 HB3 LEU 8 HB3 LEU 8 -13.445 4.430 2.566 49 HG LEU 8 HG LEU 8 -13.607 2.289 4.251 50 HD11 LEU 8 HD11 LEU 8 -13.269 4.725 6.024 51 HD12 LEU 8 HD12 LEU 8 -12.048 3.466 5.841 52 HD13 LEU 8 HD13 LEU 8 -13.620 3.076 6.542 53 HD21 LEU 8 HD21 LEU 8 -15.446 3.713 3.293 54 HD22 LEU 8 HD22 LEU 8 -15.158 4.875 4.587 55 HD23 LEU 8 HD23 LEU 8 -15.720 3.248 4.972 56 H THR 9 H THR 9 -10.030 3.809 1.034 57 HA THR 9 HA THR 9 -11.827 3.254 -1.304 58 HB THR 9 HB THR 9 -9.407 5.062 -1.308 59 HG1 THR 9 HG1 THR 9 -10.413 6.198 0.145 60 HG21 THR 9 HG21 THR 9 -10.377 4.646 -3.466 61 HG22 THR 9 HG22 THR 9 -10.874 6.267 -2.983 62 HG23 THR 9 HG23 THR 9 -12.006 4.923 -2.851 63 H ILE 10 H ILE 10 -9.914 1.381 0.164 64 HA ILE 10 HA ILE 10 -8.415 0.484 -2.246 65 HB ILE 10 HB ILE 10 -6.452 0.081 -0.586 66 HG12 ILE 10 HG12 ILE 10 -7.581 2.423 0.910 67 HG13 ILE 10 HG13 ILE 10 -8.135 0.806 1.343 68 HG21 ILE 10 HG21 ILE 10 -5.503 2.174 -1.153 69 HG22 ILE 10 HG22 ILE 10 -7.069 2.984 -1.132 70 HG23 ILE 10 HG23 ILE 10 -6.675 1.861 -2.434 71 HD11 ILE 10 HD11 ILE 10 -5.216 1.600 1.163 72 HD12 ILE 10 HD12 ILE 10 -5.865 0.076 1.771 73 HD13 ILE 10 HD13 ILE 10 -6.140 1.572 2.664 74 HA PRO 11 HA PRO 11 -10.151 -3.302 -0.669 75 HB2 PRO 11 HB2 PRO 11 -9.037 -4.965 -2.540 76 HB3 PRO 11 HB3 PRO 11 -10.439 -3.929 -2.878 77 HG2 PRO 11 HG2 PRO 11 -7.574 -3.524 -3.572 78 HG3 PRO 11 HG3 PRO 11 -9.028 -3.157 -4.513 79 HD2 PRO 11 HD2 PRO 11 -7.598 -1.276 -3.151 80 HD3 PRO 11 HD3 PRO 11 -9.336 -1.135 -3.494 81 HA PRO 12 HA PRO 12 -6.963 -5.268 1.662 82 HB2 PRO 12 HB2 PRO 12 -7.427 -7.954 1.373 83 HB3 PRO 12 HB3 PRO 12 -8.457 -6.889 2.351 84 HG2 PRO 12 HG2 PRO 12 -8.882 -7.911 -0.417 85 HG3 PRO 12 HG3 PRO 12 -10.044 -7.719 0.906 86 HD2 PRO 12 HD2 PRO 12 -9.859 -5.966 -1.153 87 HD3 PRO 12 HD3 PRO 12 -10.361 -5.484 0.483 88 H VAL 13 H VAL 13 -7.231 -6.221 -1.712 89 HA VAL 13 HA VAL 13 -4.753 -7.712 -1.895 90 HB VAL 13 HB VAL 13 -6.417 -6.210 -3.950 91 HG11 VAL 13 HG11 VAL 13 -5.319 -7.874 -5.532 92 HG12 VAL 13 HG12 VAL 13 -4.187 -8.240 -4.229 93 HG13 VAL 13 HG13 VAL 13 -4.254 -6.614 -4.909 94 HG21 VAL 13 HG21 VAL 13 -6.983 -8.778 -4.401 95 HG22 VAL 13 HG22 VAL 13 -7.865 -7.853 -3.185 96 HG23 VAL 13 HG23 VAL 13 -6.554 -8.928 -2.697 97 H VAL 14 H VAL 14 -5.600 -4.347 -2.877 98 HA VAL 14 HA VAL 14 -2.940 -3.576 -3.602 99 HB VAL 14 HB VAL 14 -5.199 -2.470 -4.110 100 HG11 VAL 14 HG11 VAL 14 -6.054 -2.329 -1.824 101 HG12 VAL 14 HG12 VAL 14 -5.901 -0.712 -2.504 102 HG13 VAL 14 HG13 VAL 14 -4.700 -1.302 -1.356 103 HG21 VAL 14 HG21 VAL 14 -2.971 -0.693 -3.071 104 HG22 VAL 14 HG22 VAL 14 -4.206 -0.233 -4.243 105 HG23 VAL 14 HG23 VAL 14 -3.003 -1.453 -4.663 106 H ALA 15 H ALA 15 -4.630 -3.547 -0.472 107 HA ALA 15 HA ALA 15 -2.685 -1.998 0.987 108 HB1 ALA 15 HB1 ALA 15 -4.508 -4.213 1.981 109 HB2 ALA 15 HB2 ALA 15 -5.069 -2.578 1.628 110 HB3 ALA 15 HB3 ALA 15 -3.891 -2.849 2.913 111 H LEU 16 H LEU 16 -3.054 -5.491 0.366 112 HA LEU 16 HA LEU 16 -0.877 -6.384 2.031 113 HB2 LEU 16 HB2 LEU 16 -2.843 -7.669 0.982 114 HB3 LEU 16 HB3 LEU 16 -1.907 -7.668 -0.513 115 HG LEU 16 HG LEU 16 0.012 -8.562 1.110 116 HD11 LEU 16 HD11 LEU 16 -0.986 -10.101 2.798 117 HD12 LEU 16 HD12 LEU 16 -2.575 -9.423 2.444 118 HD13 LEU 16 HD13 LEU 16 -1.322 -8.406 3.156 119 HD21 LEU 16 HD21 LEU 16 -0.766 -10.890 0.540 120 HD22 LEU 16 HD22 LEU 16 -0.769 -9.786 -0.834 121 HD23 LEU 16 HD23 LEU 16 -2.283 -10.191 -0.024 122 H VAL 17 H VAL 17 -1.090 -5.422 -1.398 123 HA VAL 17 HA VAL 17 1.579 -6.132 -2.177 124 HB VAL 17 HB VAL 17 -0.380 -4.015 -3.135 125 HG11 VAL 17 HG11 VAL 17 1.828 -3.396 -3.923 126 HG12 VAL 17 HG12 VAL 17 0.953 -4.127 -5.269 127 HG13 VAL 17 HG13 VAL 17 2.172 -5.059 -4.400 128 HG21 VAL 17 HG21 VAL 17 -1.366 -5.669 -4.349 129 HG22 VAL 17 HG22 VAL 17 -0.571 -6.765 -3.220 130 HG23 VAL 17 HG23 VAL 17 0.181 -6.402 -4.773 131 H VAL 18 H VAL 18 0.242 -3.267 -0.567 132 HA VAL 18 HA VAL 18 2.665 -1.657 -0.800 133 HB VAL 18 HB VAL 18 0.212 -1.515 0.994 134 HG11 VAL 18 HG11 VAL 18 0.861 0.803 1.421 135 HG12 VAL 18 HG12 VAL 18 2.280 0.624 0.389 136 HG13 VAL 18 HG13 VAL 18 2.174 -0.268 1.907 137 HG21 VAL 18 HG21 VAL 18 0.601 0.469 -1.148 138 HG22 VAL 18 HG22 VAL 18 -0.843 -0.445 -0.712 139 HG23 VAL 18 HG23 VAL 18 0.389 -1.178 -1.740 140 H MET 19 H MET 19 1.199 -3.680 1.763 141 HA MET 19 HA MET 19 3.162 -3.170 3.794 142 HB2 MET 19 HB2 MET 19 0.811 -4.244 3.890 143 HB3 MET 19 HB3 MET 19 1.613 -5.739 3.407 144 HG2 MET 19 HG2 MET 19 2.473 -6.057 5.472 145 HG3 MET 19 HG3 MET 19 3.022 -4.384 5.581 146 HE1 MET 19 HE1 MET 19 0.586 -7.027 6.581 147 HE2 MET 19 HE2 MET 19 -0.059 -6.247 8.024 148 HE3 MET 19 HE3 MET 19 1.684 -6.413 7.826 149 H SER 20 H SER 20 3.023 -5.558 1.150 150 HA SER 20 HA SER 20 5.514 -6.874 2.057 151 HB2 SER 20 HB2 SER 20 3.311 -7.808 0.863 152 HB3 SER 20 HB3 SER 20 4.200 -7.370 -0.593 153 HG SER 20 HG SER 20 5.800 -8.771 -0.037 154 H ARG 21 H ARG 21 6.011 -4.177 1.563 155 HA ARG 21 HA ARG 21 7.759 -4.313 -0.850 156 HB2 ARG 21 HB2 ARG 21 5.291 -3.100 -0.873 157 HB3 ARG 21 HB3 ARG 21 6.341 -1.752 -0.437 158 HG2 ARG 21 HG2 ARG 21 6.718 -1.571 -2.666 159 HG3 ARG 21 HG3 ARG 21 7.779 -2.963 -2.448 160 HD2 ARG 21 HD2 ARG 21 6.408 -3.835 -4.100 161 HD3 ARG 21 HD3 ARG 21 5.409 -4.255 -2.696 162 HE ARG 21 HE ARG 21 4.020 -2.315 -3.144 163 HH11 ARG 21 HH11 ARG 21 4.526 -3.635 -5.907 164 HH12 ARG 21 HH12 ARG 21 4.790 -2.226 -6.877 165 HH21 ARG 21 HH21 ARG 21 5.248 -0.115 -4.153 166 HH22 ARG 21 HH22 ARG 21 5.201 -0.225 -5.880 167 H PHE 22 H PHE 22 6.749 -1.981 1.704 168 HA PHE 22 HA PHE 22 9.277 -0.656 1.916 169 HB2 PHE 22 HB2 PHE 22 6.918 -1.028 3.783 170 HB3 PHE 22 HB3 PHE 22 8.269 0.039 4.165 171 HD1 PHE 22 HD1 PHE 22 8.814 1.958 2.618 172 HD2 PHE 22 HD2 PHE 22 5.235 -0.384 2.214 173 HE1 PHE 22 HE2 PHE 22 7.810 3.735 1.210 174 HE2 PHE 22 HE1 PHE 22 4.233 1.393 0.804 175 HZ PHE 22 HZ PHE 22 5.519 3.451 0.303 176 H GLY 23 H GLY 23 7.842 -3.110 4.121 177 HA2 GLY 23 HA2 GLY 23 10.291 -3.478 5.613 178 HA3 GLY 23 HA3 GLY 23 8.881 -4.534 5.680 179 H PHE 24 H PHE 24 8.914 -4.970 2.736 180 HA PHE 24 HA PHE 24 10.538 -7.330 2.620 181 HB2 PHE 24 HB2 PHE 24 8.557 -5.978 1.102 182 HB3 PHE 24 HB3 PHE 24 9.927 -6.216 0.021 183 HD1 PHE 24 HD1 PHE 24 7.831 -8.050 2.531 184 HD2 PHE 24 HD2 PHE 24 10.245 -8.295 -1.013 185 HE1 PHE 24 HE2 PHE 24 7.222 -10.439 2.281 186 HE2 PHE 24 HE1 PHE 24 9.636 -10.685 -1.262 187 HZ PHE 24 HZ PHE 24 8.125 -11.758 0.384 188 H PHE 25 H PHE 25 11.041 -4.028 1.348 189 HA PHE 25 HA PHE 25 13.422 -4.459 -0.137 190 HB2 PHE 25 HB2 PHE 25 11.847 -2.408 0.148 191 HB3 PHE 25 HB3 PHE 25 12.870 -1.999 1.525 192 HD1 PHE 25 HD1 PHE 25 12.859 -2.601 -2.144 193 HD2 PHE 25 HD2 PHE 25 15.075 -1.113 1.222 194 HE1 PHE 25 HE2 PHE 25 14.540 -1.621 -3.682 195 HE2 PHE 25 HE1 PHE 25 16.753 -0.132 -0.315 196 HZ PHE 25 HZ PHE 25 16.487 -0.387 -2.769 197 H ALA 26 H ALA 26 12.953 -4.079 3.357 198 HA ALA 26 HA ALA 26 15.588 -3.494 4.202 199 HB1 ALA 26 HB1 ALA 26 14.828 -4.415 6.328 200 HB2 ALA 26 HB2 ALA 26 13.560 -5.332 5.515 201 HB3 ALA 26 HB3 ALA 26 13.480 -3.570 5.566 202 H HIS 27 H HIS 27 14.102 -6.703 3.571 203 HA HIS 27 HA HIS 27 16.831 -7.929 3.785 204 HB2 HIS 27 HB2 HIS 27 14.621 -8.559 5.144 205 HB3 HIS 27 HB3 HIS 27 14.278 -9.498 3.691 206 HD1 HIS 27 HD1 HIS 27 16.251 -11.215 2.955 207 HD2 HIS 27 HD2 HIS 27 16.451 -9.760 6.856 208 HE1 HIS 27 HE1 HIS 27 17.826 -12.750 4.213 209 H LEU 28 H LEU 28 16.279 -6.551 1.387 210 HA LEU 28 HA LEU 28 15.638 -8.742 -0.562 211 HB2 LEU 28 HB2 LEU 28 14.669 -6.117 -0.214 212 HB3 LEU 28 HB3 LEU 28 15.707 -6.043 -1.636 213 HG LEU 28 HG LEU 28 13.384 -6.607 -2.257 214 HD11 LEU 28 HD11 LEU 28 13.887 -8.564 -3.620 215 HD12 LEU 28 HD12 LEU 28 15.243 -8.983 -2.574 216 HD13 LEU 28 HD13 LEU 28 15.308 -7.522 -3.560 217 HD21 LEU 28 HD21 LEU 28 13.673 -8.407 0.009 218 HD22 LEU 28 HD22 LEU 28 13.135 -9.279 -1.426 219 HD23 LEU 28 HD23 LEU 28 12.209 -7.902 -0.832 220 H LEU 29 H LEU 29 17.867 -5.997 0.032 221 HA LEU 29 HA LEU 29 19.778 -7.256 -1.908 222 HB2 LEU 29 HB2 LEU 29 20.659 -4.869 -2.074 223 HB3 LEU 29 HB3 LEU 29 19.037 -5.121 -2.712 224 HG LEU 29 HG LEU 29 19.060 -4.436 0.148 225 HD11 LEU 29 HD11 LEU 29 21.022 -3.113 -0.659 226 HD12 LEU 29 HD12 LEU 29 19.676 -2.096 -0.148 227 HD13 LEU 29 HD13 LEU 29 19.979 -2.361 -1.865 228 HD21 LEU 29 HD21 LEU 29 17.121 -4.509 -1.561 229 HD22 LEU 29 HD22 LEU 29 17.752 -2.971 -2.150 230 HD23 LEU 29 HD23 LEU 29 17.192 -3.114 -0.484 231 HA PRO 30 HA PRO 30 22.045 -7.749 1.954 232 HB2 PRO 30 HB2 PRO 30 23.839 -9.561 0.966 233 HB3 PRO 30 HB3 PRO 30 22.199 -10.006 1.478 234 HG2 PRO 30 HG2 PRO 30 23.285 -9.606 -1.254 235 HG3 PRO 30 HG3 PRO 30 22.069 -10.754 -0.676 236 HD2 PRO 30 HD2 PRO 30 21.507 -8.425 -2.038 237 HD3 PRO 30 HD3 PRO 30 20.363 -9.282 -0.984 238 H ARG 31 H ARG 31 24.325 -7.280 2.560 239 HA ARG 31 HA ARG 31 26.295 -5.994 2.441 240 HB2 ARG 31 HB2 ARG 31 26.097 -7.652 0.177 241 HB3 ARG 31 HB3 ARG 31 26.571 -6.079 -0.460 242 HG2 ARG 31 HG2 ARG 31 28.023 -6.801 1.985 243 HG3 ARG 31 HG3 ARG 31 28.290 -7.939 0.664 244 HD2 ARG 31 HD2 ARG 31 28.422 -4.996 0.066 245 HD3 ARG 31 HD3 ARG 31 29.808 -5.779 0.848 246 HE ARG 31 HE ARG 31 28.752 -6.438 -1.850 247 HH11 ARG 31 HH11 ARG 31 31.620 -5.717 -1.351 248 HH12 ARG 31 HH12 ARG 31 32.392 -7.268 -1.356 249 HH21 ARG 31 HH21 ARG 31 29.427 -9.035 -0.947 250 HH22 ARG 31 HH22 ARG 31 31.145 -9.155 -1.127 Start of MODEL 22 1 HA ASP 1 HA ASP 1 -9.118 5.055 -17.211 2 HB2 ASP 1 HB2 ASP 1 -10.332 7.355 -17.254 3 HB3 ASP 1 HB3 ASP 1 -11.483 6.606 -16.147 4 H THR 2 H THR 2 -9.131 3.084 -16.193 5 HA THR 2 HA THR 2 -11.575 2.273 -14.677 6 HB THR 2 HB THR 2 -10.019 0.535 -16.626 7 HG1 THR 2 HG1 THR 2 -11.642 0.872 -17.993 8 HG21 THR 2 HG21 THR 2 -11.918 -1.055 -16.213 9 HG22 THR 2 HG22 THR 2 -12.467 0.009 -14.920 10 HG23 THR 2 HG23 THR 2 -10.899 -0.789 -14.799 11 H GLU 3 H GLU 3 -10.715 2.251 -12.612 12 HA GLU 3 HA GLU 3 -8.550 0.343 -12.010 13 HB2 GLU 3 HB2 GLU 3 -8.007 3.067 -12.557 14 HB3 GLU 3 HB3 GLU 3 -7.867 2.891 -10.808 15 HG2 GLU 3 HG2 GLU 3 -6.576 0.898 -12.666 16 HG3 GLU 3 HG3 GLU 3 -5.764 2.408 -12.255 17 H ILE 4 H ILE 4 -11.243 0.278 -11.190 18 HA ILE 4 HA ILE 4 -11.198 1.255 -8.356 19 HB ILE 4 HB ILE 4 -13.471 0.294 -10.128 20 HG12 ILE 4 HG12 ILE 4 -12.559 2.386 -10.984 21 HG13 ILE 4 HG13 ILE 4 -14.086 2.726 -10.173 22 HG21 ILE 4 HG21 ILE 4 -14.200 -0.027 -7.914 23 HG22 ILE 4 HG22 ILE 4 -14.790 1.590 -8.297 24 HG23 ILE 4 HG23 ILE 4 -13.332 1.391 -7.325 25 HD11 ILE 4 HD11 ILE 4 -11.285 3.331 -9.257 26 HD12 ILE 4 HD12 ILE 4 -12.575 3.139 -8.069 27 HD13 ILE 4 HD13 ILE 4 -12.693 4.393 -9.303 28 H ILE 5 H ILE 5 -10.273 -0.373 -7.136 29 HA ILE 5 HA ILE 5 -11.497 -3.101 -7.340 30 HB ILE 5 HB ILE 5 -9.131 -3.931 -6.839 31 HG12 ILE 5 HG12 ILE 5 -8.258 -1.231 -7.874 32 HG13 ILE 5 HG13 ILE 5 -8.417 -1.530 -6.143 33 HG21 ILE 5 HG21 ILE 5 -10.291 -3.854 -9.126 34 HG22 ILE 5 HG22 ILE 5 -8.530 -3.958 -9.141 35 HG23 ILE 5 HG23 ILE 5 -9.325 -2.414 -9.446 36 HD11 ILE 5 HD11 ILE 5 -6.866 -3.446 -6.334 37 HD12 ILE 5 HD12 ILE 5 -6.108 -1.952 -6.888 38 HD13 ILE 5 HD13 ILE 5 -6.696 -3.131 -8.061 39 H GLY 6 H GLY 6 -12.625 -1.614 -5.495 40 HA2 GLY 6 HA2 GLY 6 -11.445 -2.560 -2.938 41 HA3 GLY 6 HA3 GLY 6 -11.813 -0.840 -3.087 42 H GLY 7 H GLY 7 -13.888 -0.189 -2.663 43 HA2 GLY 7 HA2 GLY 7 -16.308 -1.372 -3.226 44 HA3 GLY 7 HA3 GLY 7 -15.817 -2.183 -1.738 45 H LEU 8 H LEU 8 -15.104 -0.617 0.063 46 HA LEU 8 HA LEU 8 -16.945 1.754 0.075 47 HB2 LEU 8 HB2 LEU 8 -16.921 -0.490 1.671 48 HB3 LEU 8 HB3 LEU 8 -15.973 0.641 2.635 49 HG LEU 8 HG LEU 8 -18.574 1.520 1.398 50 HD11 LEU 8 HD11 LEU 8 -19.048 -0.559 2.656 51 HD12 LEU 8 HD12 LEU 8 -19.730 0.852 3.465 52 HD13 LEU 8 HD13 LEU 8 -18.242 0.121 4.070 53 HD21 LEU 8 HD21 LEU 8 -18.506 2.906 3.572 54 HD22 LEU 8 HD22 LEU 8 -17.315 3.309 2.335 55 HD23 LEU 8 HD23 LEU 8 -16.842 2.348 3.736 56 H THR 9 H THR 9 -14.577 2.310 -1.078 57 HA THR 9 HA THR 9 -12.687 3.710 -0.952 58 HB THR 9 HB THR 9 -13.749 4.501 1.770 59 HG1 THR 9 HG1 THR 9 -15.548 4.960 0.817 60 HG21 THR 9 HG21 THR 9 -13.132 6.793 0.592 61 HG22 THR 9 HG22 THR 9 -12.120 5.751 -0.408 62 HG23 THR 9 HG23 THR 9 -11.880 5.799 1.338 63 H ILE 10 H ILE 10 -12.447 0.962 0.061 64 HA ILE 10 HA ILE 10 -10.106 1.370 1.867 65 HB ILE 10 HB ILE 10 -10.972 -0.695 3.131 66 HG12 ILE 10 HG12 ILE 10 -13.743 0.017 2.396 67 HG13 ILE 10 HG13 ILE 10 -12.840 -0.784 1.111 68 HG21 ILE 10 HG21 ILE 10 -12.816 1.682 3.367 69 HG22 ILE 10 HG22 ILE 10 -11.118 1.789 3.829 70 HG23 ILE 10 HG23 ILE 10 -12.185 0.648 4.649 71 HD11 ILE 10 HD11 ILE 10 -13.915 -2.493 2.447 72 HD12 ILE 10 HD12 ILE 10 -13.268 -1.798 3.933 73 HD13 ILE 10 HD13 ILE 10 -12.182 -2.556 2.769 74 HA PRO 11 HA PRO 11 -8.794 -1.532 -1.318 75 HB2 PRO 11 HB2 PRO 11 -6.143 -0.888 -1.168 76 HB3 PRO 11 HB3 PRO 11 -7.324 0.088 -2.058 77 HG2 PRO 11 HG2 PRO 11 -5.997 0.624 0.507 78 HG3 PRO 11 HG3 PRO 11 -6.697 1.749 -0.661 79 HD2 PRO 11 HD2 PRO 11 -7.841 0.867 1.777 80 HD3 PRO 11 HD3 PRO 11 -8.606 1.871 0.528 81 HA PRO 12 HA PRO 12 -7.519 -4.403 1.937 82 HB2 PRO 12 HB2 PRO 12 -8.539 -6.648 0.751 83 HB3 PRO 12 HB3 PRO 12 -9.524 -5.504 1.682 84 HG2 PRO 12 HG2 PRO 12 -9.387 -5.929 -1.223 85 HG3 PRO 12 HG3 PRO 12 -10.692 -5.262 -0.236 86 HD2 PRO 12 HD2 PRO 12 -8.840 -3.825 -1.828 87 HD3 PRO 12 HD3 PRO 12 -10.044 -3.157 -0.705 88 H VAL 13 H VAL 13 -7.395 -5.906 -1.337 89 HA VAL 13 HA VAL 13 -4.926 -7.284 -0.876 90 HB VAL 13 HB VAL 13 -6.344 -6.404 -3.416 91 HG11 VAL 13 HG11 VAL 13 -5.040 -8.557 -4.232 92 HG12 VAL 13 HG12 VAL 13 -3.939 -8.130 -2.922 93 HG13 VAL 13 HG13 VAL 13 -4.242 -6.984 -4.229 94 HG21 VAL 13 HG21 VAL 13 -6.581 -8.719 -1.531 95 HG22 VAL 13 HG22 VAL 13 -6.824 -9.026 -3.251 96 HG23 VAL 13 HG23 VAL 13 -7.844 -7.858 -2.411 97 H VAL 14 H VAL 14 -5.612 -4.120 -2.390 98 HA VAL 14 HA VAL 14 -3.031 -3.529 -3.414 99 HB VAL 14 HB VAL 14 -5.113 -1.716 -2.144 100 HG11 VAL 14 HG11 VAL 14 -4.120 0.081 -3.414 101 HG12 VAL 14 HG12 VAL 14 -3.010 -1.032 -4.216 102 HG13 VAL 14 HG13 VAL 14 -2.829 -0.694 -2.494 103 HG21 VAL 14 HG21 VAL 14 -4.825 -3.021 -4.823 104 HG22 VAL 14 HG22 VAL 14 -5.509 -1.397 -4.758 105 HG23 VAL 14 HG23 VAL 14 -6.283 -2.715 -3.879 106 H ALA 15 H ALA 15 -4.370 -2.985 -0.140 107 HA ALA 15 HA ALA 15 -2.057 -1.686 0.973 108 HB1 ALA 15 HB1 ALA 15 -4.315 -3.336 2.156 109 HB2 ALA 15 HB2 ALA 15 -4.249 -1.579 2.011 110 HB3 ALA 15 HB3 ALA 15 -3.170 -2.413 3.129 111 H LEU 16 H LEU 16 -3.044 -5.108 0.765 112 HA LEU 16 HA LEU 16 -0.940 -6.217 2.372 113 HB2 LEU 16 HB2 LEU 16 -3.200 -7.088 1.049 114 HB3 LEU 16 HB3 LEU 16 -1.917 -7.798 0.072 115 HG LEU 16 HG LEU 16 -2.574 -9.345 1.862 116 HD11 LEU 16 HD11 LEU 16 -0.131 -9.054 1.132 117 HD12 LEU 16 HD12 LEU 16 -0.400 -9.848 2.683 118 HD13 LEU 16 HD13 LEU 16 0.097 -8.157 2.633 119 HD21 LEU 16 HD21 LEU 16 -2.457 -8.774 4.178 120 HD22 LEU 16 HD22 LEU 16 -3.313 -7.439 3.406 121 HD23 LEU 16 HD23 LEU 16 -1.612 -7.263 3.838 122 H VAL 17 H VAL 17 -1.176 -5.549 -1.134 123 HA VAL 17 HA VAL 17 1.341 -6.690 -1.908 124 HB VAL 17 HB VAL 17 -0.422 -4.476 -3.006 125 HG11 VAL 17 HG11 VAL 17 1.693 -3.970 -3.950 126 HG12 VAL 17 HG12 VAL 17 0.901 -4.970 -5.167 127 HG13 VAL 17 HG13 VAL 17 2.124 -5.673 -4.107 128 HG21 VAL 17 HG21 VAL 17 0.053 -7.367 -3.807 129 HG22 VAL 17 HG22 VAL 17 -0.995 -6.240 -4.669 130 HG23 VAL 17 HG23 VAL 17 -1.392 -6.731 -3.023 131 H VAL 18 H VAL 18 0.443 -3.398 -0.839 132 HA VAL 18 HA VAL 18 3.014 -2.168 -1.186 133 HB VAL 18 HB VAL 18 0.704 -1.643 0.722 134 HG11 VAL 18 HG11 VAL 18 3.175 -0.025 0.067 135 HG12 VAL 18 HG12 VAL 18 2.577 -0.501 1.657 136 HG13 VAL 18 HG13 VAL 18 1.711 0.715 0.717 137 HG21 VAL 18 HG21 VAL 18 0.717 -1.478 -2.002 138 HG22 VAL 18 HG22 VAL 18 1.281 0.138 -1.578 139 HG23 VAL 18 HG23 VAL 18 -0.267 -0.444 -0.966 140 H MET 19 H MET 19 1.552 -3.960 1.531 141 HA MET 19 HA MET 19 3.617 -3.524 3.468 142 HB2 MET 19 HB2 MET 19 1.228 -4.526 3.651 143 HB3 MET 19 HB3 MET 19 1.977 -6.047 3.164 144 HG2 MET 19 HG2 MET 19 1.980 -6.044 5.559 145 HG3 MET 19 HG3 MET 19 3.638 -5.695 5.066 146 HE1 MET 19 HE1 MET 19 4.799 -3.890 6.853 147 HE2 MET 19 HE2 MET 19 4.511 -2.359 6.029 148 HE3 MET 19 HE3 MET 19 4.785 -3.822 5.085 149 H SER 20 H SER 20 3.193 -6.036 0.959 150 HA SER 20 HA SER 20 5.457 -7.661 1.635 151 HB2 SER 20 HB2 SER 20 3.451 -8.013 0.006 152 HB3 SER 20 HB3 SER 20 4.442 -7.153 -1.168 153 HG SER 20 HG SER 20 6.011 -8.729 -0.956 154 H ARG 21 H ARG 21 5.111 -4.814 -0.496 155 HA ARG 21 HA ARG 21 7.755 -4.777 -1.585 156 HB2 ARG 21 HB2 ARG 21 5.518 -2.837 -1.108 157 HB3 ARG 21 HB3 ARG 21 7.089 -2.183 -1.570 158 HG2 ARG 21 HG2 ARG 21 6.880 -4.199 -3.372 159 HG3 ARG 21 HG3 ARG 21 5.174 -3.805 -3.157 160 HD2 ARG 21 HD2 ARG 21 7.162 -1.579 -3.587 161 HD3 ARG 21 HD3 ARG 21 6.542 -2.494 -4.976 162 HE ARG 21 HE ARG 21 4.759 -1.098 -3.008 163 HH11 ARG 21 HH11 ARG 21 3.482 -3.131 -4.800 164 HH12 ARG 21 HH12 ARG 21 2.958 -2.164 -6.137 165 HH21 ARG 21 HH21 ARG 21 4.985 0.538 -5.313 166 HH22 ARG 21 HH22 ARG 21 3.812 -0.077 -6.428 167 H PHE 22 H PHE 22 6.397 -3.275 1.366 168 HA PHE 22 HA PHE 22 8.756 -1.903 2.227 169 HB2 PHE 22 HB2 PHE 22 6.531 -1.465 3.124 170 HB3 PHE 22 HB3 PHE 22 6.409 -3.119 3.723 171 HD1 PHE 22 HD1 PHE 22 8.419 0.016 4.048 172 HD2 PHE 22 HD2 PHE 22 7.237 -3.695 5.859 173 HE1 PHE 22 HE1 PHE 22 9.527 0.694 6.159 174 HE2 PHE 22 HE2 PHE 22 8.345 -3.017 7.970 175 HZ PHE 22 HZ PHE 22 9.490 -0.823 8.121 176 H GLY 23 H GLY 23 7.585 -5.223 2.869 177 HA2 GLY 23 HA2 GLY 23 9.565 -5.994 4.759 178 HA3 GLY 23 HA3 GLY 23 8.723 -7.111 3.681 179 H PHE 24 H PHE 24 9.596 -6.086 1.194 180 HA PHE 24 HA PHE 24 12.165 -7.350 0.896 181 HB2 PHE 24 HB2 PHE 24 10.075 -6.320 -0.705 182 HB3 PHE 24 HB3 PHE 24 11.518 -5.427 -1.184 183 HD1 PHE 24 HD1 PHE 24 13.559 -6.658 -1.950 184 HD2 PHE 24 HD2 PHE 24 9.829 -8.655 -1.202 185 HE1 PHE 24 HE1 PHE 24 14.355 -8.628 -3.230 186 HE2 PHE 24 HE2 PHE 24 10.627 -10.624 -2.480 187 HZ PHE 24 HZ PHE 24 12.890 -10.610 -3.495 188 H PHE 25 H PHE 25 11.170 -3.910 0.976 189 HA PHE 25 HA PHE 25 13.789 -2.783 0.625 190 HB2 PHE 25 HB2 PHE 25 11.309 -1.816 0.600 191 HB3 PHE 25 HB3 PHE 25 11.664 -1.471 2.293 192 HD1 PHE 25 HD1 PHE 25 14.006 -0.325 2.749 193 HD2 PHE 25 HD2 PHE 25 11.958 -0.267 -1.029 194 HE1 PHE 25 HE1 PHE 25 15.317 1.665 2.070 195 HE2 PHE 25 HE2 PHE 25 13.270 1.724 -1.706 196 HZ PHE 25 HZ PHE 25 14.949 2.690 -0.158 197 H ALA 26 H ALA 26 11.941 -3.706 3.540 198 HA ALA 26 HA ALA 26 13.727 -2.699 5.522 199 HB1 ALA 26 HB1 ALA 26 11.974 -5.180 5.546 200 HB2 ALA 26 HB2 ALA 26 11.406 -3.540 5.864 201 HB3 ALA 26 HB3 ALA 26 12.550 -4.307 6.967 202 H HIS 27 H HIS 27 13.735 -5.749 3.690 203 HA HIS 27 HA HIS 27 15.851 -7.040 5.176 204 HB2 HIS 27 HB2 HIS 27 14.319 -7.382 2.660 205 HB3 HIS 27 HB3 HIS 27 15.919 -8.119 2.658 206 HD1 HIS 27 HD1 HIS 27 13.318 -7.847 5.448 207 HD2 HIS 27 HD2 HIS 27 15.496 -10.746 3.389 208 HE1 HIS 27 HE1 HIS 27 12.761 -10.066 6.532 209 H LEU 28 H LEU 28 15.801 -4.818 2.405 210 HA LEU 28 HA LEU 28 18.685 -5.105 1.893 211 HB2 LEU 28 HB2 LEU 28 16.306 -3.770 0.730 212 HB3 LEU 28 HB3 LEU 28 17.827 -2.910 0.496 213 HG LEU 28 HG LEU 28 18.773 -5.216 -0.238 214 HD11 LEU 28 HD11 LEU 28 16.884 -6.580 0.507 215 HD12 LEU 28 HD12 LEU 28 17.028 -6.687 -1.247 216 HD13 LEU 28 HD13 LEU 28 15.785 -5.666 -0.527 217 HD21 LEU 28 HD21 LEU 28 17.876 -4.853 -2.558 218 HD22 LEU 28 HD22 LEU 28 18.479 -3.377 -1.803 219 HD23 LEU 28 HD23 LEU 28 16.743 -3.677 -1.889 220 H LEU 29 H LEU 29 16.810 -2.104 2.444 221 HA LEU 29 HA LEU 29 17.247 -0.220 3.785 222 HB2 LEU 29 HB2 LEU 29 17.972 -2.559 5.256 223 HB3 LEU 29 HB3 LEU 29 19.189 -1.326 5.588 224 HG LEU 29 HG LEU 29 17.197 0.279 5.947 225 HD11 LEU 29 HD11 LEU 29 15.650 -1.600 4.930 226 HD12 LEU 29 HD12 LEU 29 15.059 -0.590 6.249 227 HD13 LEU 29 HD13 LEU 29 15.656 -2.215 6.583 228 HD21 LEU 29 HD21 LEU 29 18.544 -0.459 7.814 229 HD22 LEU 29 HD22 LEU 29 17.768 -2.044 7.809 230 HD23 LEU 29 HD23 LEU 29 16.852 -0.615 8.285 231 HA PRO 30 HA PRO 30 20.981 1.461 2.176 232 HB2 PRO 30 HB2 PRO 30 21.373 3.593 3.843 233 HB3 PRO 30 HB3 PRO 30 20.093 3.548 2.614 234 HG2 PRO 30 HG2 PRO 30 19.917 3.125 5.545 235 HG3 PRO 30 HG3 PRO 30 18.767 3.893 4.443 236 HD2 PRO 30 HD2 PRO 30 18.516 1.337 5.431 237 HD3 PRO 30 HD3 PRO 30 17.748 1.921 3.940 238 H ARG 31 H ARG 31 23.280 2.143 2.900 239 HA ARG 31 HA ARG 31 24.151 0.903 5.462 240 HB2 ARG 31 HB2 ARG 31 24.574 -0.098 2.702 241 HB3 ARG 31 HB3 ARG 31 26.012 -0.089 3.722 242 HG2 ARG 31 HG2 ARG 31 23.358 -1.321 4.525 243 HG3 ARG 31 HG3 ARG 31 24.715 -2.231 3.863 244 HD2 ARG 31 HD2 ARG 31 24.887 -0.532 6.381 245 HD3 ARG 31 HD3 ARG 31 24.652 -2.291 6.374 246 HE ARG 31 HE ARG 31 27.101 -0.877 5.450 247 HH11 ARG 31 HH11 ARG 31 27.381 -2.878 7.565 248 HH12 ARG 31 HH12 ARG 31 27.825 -4.316 6.708 249 HH21 ARG 31 HH21 ARG 31 26.772 -3.113 3.620 250 HH22 ARG 31 HH22 ARG 31 27.479 -4.450 4.465 Start of MODEL 23 1 HA ASP 1 HA ASP 1 -31.559 1.834 4.791 2 HB2 ASP 1 HB2 ASP 1 -34.024 1.972 4.707 3 HB3 ASP 1 HB3 ASP 1 -34.123 0.218 4.553 4 H THR 2 H THR 2 -30.778 0.381 6.472 5 HA THR 2 HA THR 2 -29.661 -1.523 7.285 6 HB THR 2 HB THR 2 -31.626 -2.857 5.388 7 HG1 THR 2 HG1 THR 2 -32.744 -1.745 6.912 8 HG21 THR 2 HG21 THR 2 -29.859 -3.926 7.593 9 HG22 THR 2 HG22 THR 2 -29.985 -4.491 5.927 10 HG23 THR 2 HG23 THR 2 -31.308 -4.777 7.057 11 H GLU 3 H GLU 3 -27.570 -1.305 6.511 12 HA GLU 3 HA GLU 3 -25.663 -1.709 5.188 13 HB2 GLU 3 HB2 GLU 3 -27.567 -3.964 4.620 14 HB3 GLU 3 HB3 GLU 3 -26.064 -3.864 3.706 15 HG2 GLU 3 HG2 GLU 3 -24.774 -3.817 5.799 16 HG3 GLU 3 HG3 GLU 3 -26.270 -3.879 6.732 17 H ILE 4 H ILE 4 -25.859 0.269 3.949 18 HA ILE 4 HA ILE 4 -27.019 -0.098 1.202 19 HB ILE 4 HB ILE 4 -26.642 2.428 2.853 20 HG12 ILE 4 HG12 ILE 4 -29.364 1.990 2.387 21 HG13 ILE 4 HG13 ILE 4 -28.740 0.394 2.806 22 HG21 ILE 4 HG21 ILE 4 -28.349 3.227 1.042 23 HG22 ILE 4 HG22 ILE 4 -27.748 1.854 0.112 24 HG23 ILE 4 HG23 ILE 4 -26.641 3.130 0.614 25 HD11 ILE 4 HD11 ILE 4 -29.467 2.253 4.655 26 HD12 ILE 4 HD12 ILE 4 -27.750 2.623 4.488 27 HD13 ILE 4 HD13 ILE 4 -28.261 1.000 4.954 28 H ILE 5 H ILE 5 -24.638 2.116 2.757 29 HA ILE 5 HA ILE 5 -22.675 1.358 0.620 30 HB ILE 5 HB ILE 5 -22.124 3.843 0.556 31 HG12 ILE 5 HG12 ILE 5 -24.851 4.263 1.767 32 HG13 ILE 5 HG13 ILE 5 -23.429 4.164 2.806 33 HG21 ILE 5 HG21 ILE 5 -24.079 4.392 -0.873 34 HG22 ILE 5 HG22 ILE 5 -24.915 2.971 -0.248 35 HG23 ILE 5 HG23 ILE 5 -23.449 2.780 -1.209 36 HD11 ILE 5 HD11 ILE 5 -22.360 5.953 1.394 37 HD12 ILE 5 HD12 ILE 5 -23.796 6.495 2.264 38 HD13 ILE 5 HD13 ILE 5 -23.896 6.125 0.544 39 H GLY 6 H GLY 6 -22.841 0.593 3.502 40 HA2 GLY 6 HA2 GLY 6 -20.232 1.765 4.381 41 HA3 GLY 6 HA3 GLY 6 -21.541 1.484 5.528 42 H GLY 7 H GLY 7 -20.613 -0.661 2.851 43 HA2 GLY 7 HA2 GLY 7 -20.342 -2.876 4.783 44 HA3 GLY 7 HA3 GLY 7 -20.366 -3.032 3.026 45 H LEU 8 H LEU 8 -18.358 -1.386 2.194 46 HA LEU 8 HA LEU 8 -16.020 -1.300 1.907 47 HB2 LEU 8 HB2 LEU 8 -16.589 -0.484 4.390 48 HB3 LEU 8 HB3 LEU 8 -15.680 -1.935 4.813 49 HG LEU 8 HG LEU 8 -14.019 -0.928 2.947 50 HD11 LEU 8 HD11 LEU 8 -15.276 1.503 4.259 51 HD12 LEU 8 HD12 LEU 8 -15.511 1.039 2.574 52 HD13 LEU 8 HD13 LEU 8 -13.909 1.505 3.144 53 HD21 LEU 8 HD21 LEU 8 -13.335 -1.514 5.203 54 HD22 LEU 8 HD22 LEU 8 -14.207 -0.134 5.870 55 HD23 LEU 8 HD23 LEU 8 -12.778 0.125 4.868 56 H THR 9 H THR 9 -17.422 -3.935 1.702 57 HA THR 9 HA THR 9 -15.464 -5.883 2.776 58 HB THR 9 HB THR 9 -17.827 -6.435 0.972 59 HG1 THR 9 HG1 THR 9 -17.843 -5.931 3.766 60 HG21 THR 9 HG21 THR 9 -17.861 -8.553 2.055 61 HG22 THR 9 HG22 THR 9 -16.804 -7.991 3.350 62 HG23 THR 9 HG23 THR 9 -16.160 -8.225 1.725 63 H ILE 10 H ILE 10 -13.892 -4.550 1.214 64 HA ILE 10 HA ILE 10 -13.998 -5.680 -1.556 65 HB ILE 10 HB ILE 10 -12.499 -3.820 -2.104 66 HG12 ILE 10 HG12 ILE 10 -12.425 -2.239 0.206 67 HG13 ILE 10 HG13 ILE 10 -12.051 -3.863 0.782 68 HG21 ILE 10 HG21 ILE 10 -14.082 -2.131 -1.953 69 HG22 ILE 10 HG22 ILE 10 -14.504 -2.532 -0.287 70 HG23 ILE 10 HG23 ILE 10 -15.087 -3.541 -1.612 71 HD11 ILE 10 HD11 ILE 10 -10.003 -2.655 0.088 72 HD12 ILE 10 HD12 ILE 10 -10.674 -2.467 -1.533 73 HD13 ILE 10 HD13 ILE 10 -10.286 -4.075 -0.921 74 HA PRO 11 HA PRO 11 -10.508 -8.231 -0.737 75 HB2 PRO 11 HB2 PRO 11 -9.215 -8.199 -3.148 76 HB3 PRO 11 HB3 PRO 11 -10.742 -9.064 -2.880 77 HG2 PRO 11 HG2 PRO 11 -10.259 -6.440 -4.189 78 HG3 PRO 11 HG3 PRO 11 -11.423 -7.709 -4.596 79 HD2 PRO 11 HD2 PRO 11 -12.063 -5.406 -3.254 80 HD3 PRO 11 HD3 PRO 11 -12.983 -6.920 -3.132 81 HA PRO 12 HA PRO 12 -7.477 -5.008 0.149 82 HB2 PRO 12 HB2 PRO 12 -6.372 -6.255 2.313 83 HB3 PRO 12 HB3 PRO 12 -7.896 -5.350 2.390 84 HG2 PRO 12 HG2 PRO 12 -7.436 -8.263 2.391 85 HG3 PRO 12 HG3 PRO 12 -8.753 -7.325 3.104 86 HD2 PRO 12 HD2 PRO 12 -8.844 -8.779 0.703 87 HD3 PRO 12 HD3 PRO 12 -10.048 -7.608 1.277 88 H VAL 13 H VAL 13 -6.626 -6.037 -2.000 89 HA VAL 13 HA VAL 13 -4.257 -7.794 -1.492 90 HB VAL 13 HB VAL 13 -4.412 -8.261 -3.925 91 HG11 VAL 13 HG11 VAL 13 -7.096 -8.518 -2.540 92 HG12 VAL 13 HG12 VAL 13 -5.721 -9.587 -2.261 93 HG13 VAL 13 HG13 VAL 13 -6.486 -9.530 -3.849 94 HG21 VAL 13 HG21 VAL 13 -6.395 -7.415 -5.178 95 HG22 VAL 13 HG22 VAL 13 -5.303 -6.116 -4.703 96 HG23 VAL 13 HG23 VAL 13 -6.797 -6.382 -3.807 97 H VAL 14 H VAL 14 -5.219 -4.761 -3.135 98 HA VAL 14 HA VAL 14 -2.523 -4.106 -3.994 99 HB VAL 14 HB VAL 14 -4.671 -3.299 -5.020 100 HG11 VAL 14 HG11 VAL 14 -5.788 -2.873 -2.778 101 HG12 VAL 14 HG12 VAL 14 -5.974 -1.581 -3.963 102 HG13 VAL 14 HG13 VAL 14 -4.805 -1.414 -2.653 103 HG21 VAL 14 HG21 VAL 14 -2.806 -1.131 -4.004 104 HG22 VAL 14 HG22 VAL 14 -3.897 -0.978 -5.381 105 HG23 VAL 14 HG23 VAL 14 -2.552 -2.117 -5.445 106 H ALA 15 H ALA 15 -4.490 -3.341 -1.133 107 HA ALA 15 HA ALA 15 -2.653 -1.396 -0.006 108 HB1 ALA 15 HB1 ALA 15 -4.735 -3.165 1.324 109 HB2 ALA 15 HB2 ALA 15 -5.101 -1.648 0.503 110 HB3 ALA 15 HB3 ALA 15 -4.096 -1.647 1.954 111 H LEU 16 H LEU 16 -3.096 -4.914 0.325 112 HA LEU 16 HA LEU 16 -1.203 -5.290 2.477 113 HB2 LEU 16 HB2 LEU 16 -3.104 -6.799 1.508 114 HB3 LEU 16 HB3 LEU 16 -1.879 -7.323 0.352 115 HG LEU 16 HG LEU 16 -0.386 -7.719 2.445 116 HD11 LEU 16 HD11 LEU 16 -1.831 -8.369 4.441 117 HD12 LEU 16 HD12 LEU 16 -3.157 -7.514 3.651 118 HD13 LEU 16 HD13 LEU 16 -1.704 -6.638 4.132 119 HD21 LEU 16 HD21 LEU 16 -1.487 -9.463 0.952 120 HD22 LEU 16 HD22 LEU 16 -2.810 -9.510 2.118 121 HD23 LEU 16 HD23 LEU 16 -1.183 -9.982 2.611 122 H VAL 17 H VAL 17 -0.920 -5.385 -1.087 123 HA VAL 17 HA VAL 17 1.773 -6.349 -1.246 124 HB VAL 17 HB VAL 17 0.006 -4.613 -2.991 125 HG11 VAL 17 HG11 VAL 17 2.844 -5.544 -3.467 126 HG12 VAL 17 HG12 VAL 17 2.184 -3.919 -3.651 127 HG13 VAL 17 HG13 VAL 17 1.747 -5.183 -4.800 128 HG21 VAL 17 HG21 VAL 17 -0.384 -6.592 -4.202 129 HG22 VAL 17 HG22 VAL 17 -0.322 -7.167 -2.536 130 HG23 VAL 17 HG23 VAL 17 1.077 -7.367 -3.590 131 H VAL 18 H VAL 18 0.448 -3.068 -0.817 132 HA VAL 18 HA VAL 18 2.997 -1.690 -1.040 133 HB VAL 18 HB VAL 18 0.360 -0.932 0.274 134 HG11 VAL 18 HG11 VAL 18 1.131 1.385 -0.000 135 HG12 VAL 18 HG12 VAL 18 2.647 0.813 -0.696 136 HG13 VAL 18 HG13 VAL 18 2.271 0.480 0.995 137 HG21 VAL 18 HG21 VAL 18 -0.446 -0.467 -1.795 138 HG22 VAL 18 HG22 VAL 18 0.875 -1.462 -2.404 139 HG23 VAL 18 HG23 VAL 18 1.066 0.287 -2.300 140 H MET 19 H MET 19 1.148 -3.128 1.626 141 HA MET 19 HA MET 19 2.685 -2.020 3.800 142 HB2 MET 19 HB2 MET 19 0.900 -4.430 3.409 143 HB3 MET 19 HB3 MET 19 1.636 -4.073 4.969 144 HG2 MET 19 HG2 MET 19 0.090 -1.960 3.476 145 HG3 MET 19 HG3 MET 19 -0.740 -3.133 4.497 146 HE1 MET 19 HE1 MET 19 0.057 -0.078 4.081 147 HE2 MET 19 HE2 MET 19 1.613 0.303 4.815 148 HE3 MET 19 HE3 MET 19 0.125 0.684 5.676 149 H SER 20 H SER 20 2.965 -5.065 1.939 150 HA SER 20 HA SER 20 5.193 -6.086 3.513 151 HB2 SER 20 HB2 SER 20 5.282 -7.710 1.560 152 HB3 SER 20 HB3 SER 20 3.720 -7.601 2.364 153 HG SER 20 HG SER 20 2.986 -7.114 0.458 154 H ARG 21 H ARG 21 4.939 -3.818 0.882 155 HA ARG 21 HA ARG 21 7.385 -4.121 -0.488 156 HB2 ARG 21 HB2 ARG 21 5.392 -2.529 -0.851 157 HB3 ARG 21 HB3 ARG 21 6.172 -1.471 0.325 158 HG2 ARG 21 HG2 ARG 21 8.238 -1.492 -1.075 159 HG3 ARG 21 HG3 ARG 21 7.381 -2.462 -2.274 160 HD2 ARG 21 HD2 ARG 21 7.279 -0.119 -2.963 161 HD3 ARG 21 HD3 ARG 21 5.659 -0.609 -2.430 162 HE ARG 21 HE ARG 21 5.881 0.939 -0.665 163 HH11 ARG 21 HH11 ARG 21 8.264 2.142 -2.184 164 HH12 ARG 21 HH12 ARG 21 9.465 2.170 -0.935 165 HH21 ARG 21 HH21 ARG 21 7.725 -0.009 1.142 166 HH22 ARG 21 HH22 ARG 21 9.158 0.944 0.956 167 H PHE 22 H PHE 22 6.751 -2.450 2.612 168 HA PHE 22 HA PHE 22 9.378 -1.342 2.963 169 HB2 PHE 22 HB2 PHE 22 7.116 -0.897 4.164 170 HB3 PHE 22 HB3 PHE 22 7.543 -2.276 5.177 171 HD1 PHE 22 HD1 PHE 22 8.570 1.127 4.122 172 HD2 PHE 22 HD2 PHE 22 9.299 -2.135 6.822 173 HE1 PHE 22 HE2 PHE 22 10.052 2.580 5.478 174 HE2 PHE 22 HE1 PHE 22 10.781 -0.681 8.177 175 HZ PHE 22 HZ PHE 22 11.158 1.677 7.505 176 H GLY 23 H GLY 23 7.921 -4.387 4.190 177 HA2 GLY 23 HA2 GLY 23 10.286 -5.316 5.525 178 HA3 GLY 23 HA3 GLY 23 8.932 -6.334 5.031 179 H PHE 24 H PHE 24 8.959 -5.998 2.276 180 HA PHE 24 HA PHE 24 10.978 -7.814 1.397 181 HB2 PHE 24 HB2 PHE 24 8.886 -6.056 0.239 182 HB3 PHE 24 HB3 PHE 24 10.178 -6.514 -0.868 183 HD1 PHE 24 HD1 PHE 24 7.545 -7.830 1.398 184 HD2 PHE 24 HD2 PHE 24 10.398 -8.759 -1.677 185 HE1 PHE 24 HE1 PHE 24 6.524 -10.073 1.128 186 HE2 PHE 24 HE2 PHE 24 9.376 -11.002 -1.946 187 HZ PHE 24 HZ PHE 24 7.439 -11.659 -0.543 188 H PHE 25 H PHE 25 10.795 -4.250 1.219 189 HA PHE 25 HA PHE 25 13.176 -3.813 -0.308 190 HB2 PHE 25 HB2 PHE 25 11.484 -2.105 0.040 191 HB3 PHE 25 HB3 PHE 25 11.706 -2.177 1.787 192 HD1 PHE 25 HD1 PHE 25 13.575 -1.470 -1.385 193 HD2 PHE 25 HD2 PHE 25 13.244 -0.750 2.838 194 HE1 PHE 25 HE2 PHE 25 15.362 0.242 -1.536 195 HE2 PHE 25 HE1 PHE 25 15.030 0.961 2.686 196 HZ PHE 25 HZ PHE 25 16.090 1.457 0.499 197 H ALA 26 H ALA 26 12.647 -4.063 3.222 198 HA ALA 26 HA ALA 26 15.320 -3.439 4.049 199 HB1 ALA 26 HB1 ALA 26 14.577 -4.495 6.149 200 HB2 ALA 26 HB2 ALA 26 13.224 -5.246 5.302 201 HB3 ALA 26 HB3 ALA 26 13.290 -3.492 5.481 202 H HIS 27 H HIS 27 13.873 -6.406 2.805 203 HA HIS 27 HA HIS 27 16.233 -8.041 3.548 204 HB2 HIS 27 HB2 HIS 27 13.894 -8.853 3.789 205 HB3 HIS 27 HB3 HIS 27 13.671 -8.682 2.049 206 HD1 HIS 27 HD1 HIS 27 15.637 -10.692 4.585 207 HD2 HIS 27 HD2 HIS 27 14.751 -10.769 0.512 208 HE1 HIS 27 HE1 HIS 27 16.487 -12.912 3.708 209 H LEU 28 H LEU 28 14.725 -6.604 0.663 210 HA LEU 28 HA LEU 28 16.683 -7.916 -1.137 211 HB2 LEU 28 HB2 LEU 28 14.292 -6.087 -1.478 212 HB3 LEU 28 HB3 LEU 28 15.299 -6.583 -2.838 213 HG LEU 28 HG LEU 28 14.043 -8.577 -0.941 214 HD11 LEU 28 HD11 LEU 28 12.312 -8.896 -2.695 215 HD12 LEU 28 HD12 LEU 28 12.974 -7.520 -3.575 216 HD13 LEU 28 HD13 LEU 28 12.243 -7.281 -1.989 217 HD21 LEU 28 HD21 LEU 28 15.867 -9.497 -2.216 218 HD22 LEU 28 HD22 LEU 28 15.299 -8.724 -3.696 219 HD23 LEU 28 HD23 LEU 28 14.380 -10.051 -2.985 220 H LEU 29 H LEU 29 17.803 -6.046 0.807 221 HA LEU 29 HA LEU 29 18.838 -3.950 -1.070 222 HB2 LEU 29 HB2 LEU 29 17.155 -3.181 0.678 223 HB3 LEU 29 HB3 LEU 29 18.340 -3.629 1.903 224 HG LEU 29 HG LEU 29 19.981 -2.132 0.548 225 HD11 LEU 29 HD11 LEU 29 18.554 -0.194 -0.482 226 HD12 LEU 29 HD12 LEU 29 17.292 -1.419 -0.606 227 HD13 LEU 29 HD13 LEU 29 18.830 -1.650 -1.439 228 HD21 LEU 29 HD21 LEU 29 17.771 -0.544 1.817 229 HD22 LEU 29 HD22 LEU 29 19.517 -0.373 2.005 230 HD23 LEU 29 HD23 LEU 29 18.669 -1.699 2.801 231 HA PRO 30 HA PRO 30 22.585 -6.036 0.254 232 HB2 PRO 30 HB2 PRO 30 24.274 -4.659 -1.402 233 HB3 PRO 30 HB3 PRO 30 23.253 -6.001 -1.958 234 HG2 PRO 30 HG2 PRO 30 22.850 -3.069 -2.250 235 HG3 PRO 30 HG3 PRO 30 22.495 -4.378 -3.388 236 HD2 PRO 30 HD2 PRO 30 20.602 -3.139 -1.851 237 HD3 PRO 30 HD3 PRO 30 20.451 -4.802 -2.461 238 H ARG 31 H ARG 31 24.725 -5.247 1.168 239 HA ARG 31 HA ARG 31 24.296 -2.768 2.765 240 HB2 ARG 31 HB2 ARG 31 24.998 -5.244 3.502 241 HB3 ARG 31 HB3 ARG 31 26.609 -4.632 3.129 242 HG2 ARG 31 HG2 ARG 31 26.585 -3.777 5.227 243 HG3 ARG 31 HG3 ARG 31 25.501 -2.549 4.568 244 HD2 ARG 31 HD2 ARG 31 23.554 -4.035 5.130 245 HD3 ARG 31 HD3 ARG 31 24.687 -5.142 5.927 246 HE ARG 31 HE ARG 31 25.174 -3.415 7.562 247 HH11 ARG 31 HH11 ARG 31 22.070 -3.380 7.024 248 HH12 ARG 31 HH12 ARG 31 21.786 -1.674 7.092 249 HH21 ARG 31 HH21 ARG 31 25.156 -0.843 6.870 250 HH22 ARG 31 HH22 ARG 31 23.543 -0.231 7.012 Start of MODEL 24 1 HA ASP 1 HA ASP 1 -11.572 6.710 -1.654 2 HB2 ASP 1 HB2 ASP 1 -11.578 4.900 -3.395 3 HB3 ASP 1 HB3 ASP 1 -12.542 3.905 -2.302 4 H THR 2 H THR 2 -12.915 7.528 -0.103 5 HA THR 2 HA THR 2 -14.777 5.836 1.386 6 HB THR 2 HB THR 2 -12.768 5.364 2.648 7 HG1 THR 2 HG1 THR 2 -14.574 5.812 3.924 8 HG21 THR 2 HG21 THR 2 -11.906 7.806 3.710 9 HG22 THR 2 HG22 THR 2 -12.149 8.131 1.993 10 HG23 THR 2 HG23 THR 2 -11.066 6.835 2.500 11 H GLU 3 H GLU 3 -16.356 7.309 0.593 12 HA GLU 3 HA GLU 3 -16.093 10.175 1.398 13 HB2 GLU 3 HB2 GLU 3 -17.732 8.623 -0.617 14 HB3 GLU 3 HB3 GLU 3 -18.106 10.301 -0.224 15 HG2 GLU 3 HG2 GLU 3 -16.662 10.529 -2.057 16 HG3 GLU 3 HG3 GLU 3 -15.566 10.719 -0.689 17 H ILE 4 H ILE 4 -16.558 8.893 3.648 18 HA ILE 4 HA ILE 4 -19.338 9.554 4.352 19 HB ILE 4 HB ILE 4 -19.386 7.247 3.357 20 HG12 ILE 4 HG12 ILE 4 -19.889 7.046 6.327 21 HG13 ILE 4 HG13 ILE 4 -20.877 8.093 5.309 22 HG21 ILE 4 HG21 ILE 4 -17.164 6.481 3.998 23 HG22 ILE 4 HG22 ILE 4 -18.366 5.409 4.717 24 HG23 ILE 4 HG23 ILE 4 -17.568 6.630 5.708 25 HD11 ILE 4 HD11 ILE 4 -21.731 5.695 5.669 26 HD12 ILE 4 HD12 ILE 4 -20.409 5.190 4.617 27 HD13 ILE 4 HD13 ILE 4 -21.661 6.270 4.004 28 H ILE 5 H ILE 5 -19.652 9.357 6.753 29 HA ILE 5 HA ILE 5 -17.306 10.244 8.217 30 HB ILE 5 HB ILE 5 -19.752 10.934 8.481 31 HG12 ILE 5 HG12 ILE 5 -17.760 11.196 10.183 32 HG13 ILE 5 HG13 ILE 5 -19.403 11.571 10.694 33 HG21 ILE 5 HG21 ILE 5 -19.884 8.300 9.980 34 HG22 ILE 5 HG22 ILE 5 -20.728 8.676 8.480 35 HG23 ILE 5 HG23 ILE 5 -21.143 9.535 9.962 36 HD11 ILE 5 HD11 ILE 5 -18.613 8.740 11.041 37 HD12 ILE 5 HD12 ILE 5 -19.491 9.807 12.135 38 HD13 ILE 5 HD13 ILE 5 -17.732 9.888 12.048 39 H GLY 6 H GLY 6 -16.153 9.101 9.809 40 HA2 GLY 6 HA2 GLY 6 -16.064 7.114 11.342 41 HA3 GLY 6 HA3 GLY 6 -16.727 6.169 10.009 42 H GLY 7 H GLY 7 -15.249 6.774 7.858 43 HA2 GLY 7 HA2 GLY 7 -13.156 6.495 6.826 44 HA3 GLY 7 HA3 GLY 7 -12.416 7.046 8.330 45 H LEU 8 H LEU 8 -14.335 4.180 7.333 46 HA LEU 8 HA LEU 8 -12.199 2.462 8.549 47 HB2 LEU 8 HB2 LEU 8 -14.030 1.068 9.449 48 HB3 LEU 8 HB3 LEU 8 -14.170 2.728 10.025 49 HG LEU 8 HG LEU 8 -15.573 2.256 7.482 50 HD11 LEU 8 HD11 LEU 8 -16.374 0.759 9.992 51 HD12 LEU 8 HD12 LEU 8 -16.027 0.073 8.404 52 HD13 LEU 8 HD13 LEU 8 -17.470 1.057 8.643 53 HD21 LEU 8 HD21 LEU 8 -17.077 3.769 8.393 54 HD22 LEU 8 HD22 LEU 8 -15.632 4.191 9.312 55 HD23 LEU 8 HD23 LEU 8 -16.863 3.155 10.033 56 H THR 9 H THR 9 -13.312 3.262 5.653 57 HA THR 9 HA THR 9 -13.474 0.441 4.647 58 HB THR 9 HB THR 9 -14.597 3.006 3.469 59 HG1 THR 9 HG1 THR 9 -16.605 1.936 4.101 60 HG21 THR 9 HG21 THR 9 -15.798 1.498 1.946 61 HG22 THR 9 HG22 THR 9 -15.038 0.102 2.709 62 HG23 THR 9 HG23 THR 9 -14.058 1.253 1.801 63 H ILE 10 H ILE 10 -11.120 0.404 4.522 64 HA ILE 10 HA ILE 10 -9.917 2.208 2.458 65 HB ILE 10 HB ILE 10 -7.774 1.502 3.505 66 HG12 ILE 10 HG12 ILE 10 -8.831 0.283 5.891 67 HG13 ILE 10 HG13 ILE 10 -9.379 -0.635 4.488 68 HG21 ILE 10 HG21 ILE 10 -9.959 2.546 5.314 69 HG22 ILE 10 HG22 ILE 10 -8.729 3.467 4.449 70 HG23 ILE 10 HG23 ILE 10 -8.273 2.461 5.824 71 HD11 ILE 10 HD11 ILE 10 -6.540 0.004 5.302 72 HD12 ILE 10 HD12 ILE 10 -6.945 -0.537 3.674 73 HD13 ILE 10 HD13 ILE 10 -7.271 -1.581 5.058 74 HA PRO 11 HA PRO 11 -9.496 -1.144 -0.352 75 HB2 PRO 11 HB2 PRO 11 -7.121 -0.544 -1.576 76 HB3 PRO 11 HB3 PRO 11 -8.620 0.360 -1.870 77 HG2 PRO 11 HG2 PRO 11 -6.302 1.055 -0.139 78 HG3 PRO 11 HG3 PRO 11 -7.294 2.097 -1.170 79 HD2 PRO 11 HD2 PRO 11 -7.580 1.942 1.536 80 HD3 PRO 11 HD3 PRO 11 -8.905 2.367 0.429 81 HA PRO 12 HA PRO 12 -6.855 -3.805 2.158 82 HB2 PRO 12 HB2 PRO 12 -8.057 -6.148 1.424 83 HB3 PRO 12 HB3 PRO 12 -8.733 -5.056 2.648 84 HG2 PRO 12 HG2 PRO 12 -9.532 -5.455 -0.179 85 HG3 PRO 12 HG3 PRO 12 -10.523 -5.069 1.234 86 HD2 PRO 12 HD2 PRO 12 -9.725 -3.251 -0.690 87 HD3 PRO 12 HD3 PRO 12 -10.256 -2.833 0.952 88 H VAL 13 H VAL 13 -7.659 -4.337 -1.280 89 HA VAL 13 HA VAL 13 -5.670 -6.267 -1.922 90 HB VAL 13 HB VAL 13 -6.951 -4.031 -3.530 91 HG11 VAL 13 HG11 VAL 13 -4.980 -4.708 -4.735 92 HG12 VAL 13 HG12 VAL 13 -6.348 -5.521 -5.496 93 HG13 VAL 13 HG13 VAL 13 -5.290 -6.412 -4.401 94 HG21 VAL 13 HG21 VAL 13 -7.588 -6.962 -3.091 95 HG22 VAL 13 HG22 VAL 13 -8.307 -6.010 -4.389 96 HG23 VAL 13 HG23 VAL 13 -8.605 -5.572 -2.707 97 H VAL 14 H VAL 14 -5.484 -2.685 -2.259 98 HA VAL 14 HA VAL 14 -2.769 -2.598 -3.143 99 HB VAL 14 HB VAL 14 -4.554 -0.793 -3.212 100 HG11 VAL 14 HG11 VAL 14 -3.669 -0.348 -0.344 101 HG12 VAL 14 HG12 VAL 14 -5.237 -0.994 -0.827 102 HG13 VAL 14 HG13 VAL 14 -4.793 0.657 -1.259 103 HG21 VAL 14 HG21 VAL 14 -2.166 -0.345 -3.708 104 HG22 VAL 14 HG22 VAL 14 -1.887 -0.007 -2.000 105 HG23 VAL 14 HG23 VAL 14 -2.945 1.040 -2.946 106 H ALA 15 H ALA 15 -4.150 -2.698 0.137 107 HA ALA 15 HA ALA 15 -1.676 -2.139 1.541 108 HB1 ALA 15 HB1 ALA 15 -4.359 -3.359 2.201 109 HB2 ALA 15 HB2 ALA 15 -3.696 -1.810 2.725 110 HB3 ALA 15 HB3 ALA 15 -3.074 -3.313 3.409 111 H LEU 16 H LEU 16 -3.321 -5.128 0.507 112 HA LEU 16 HA LEU 16 -1.595 -7.024 1.779 113 HB2 LEU 16 HB2 LEU 16 -3.846 -7.405 0.721 114 HB3 LEU 16 HB3 LEU 16 -3.087 -7.225 -0.860 115 HG LEU 16 HG LEU 16 -1.668 -9.127 0.860 116 HD11 LEU 16 HD11 LEU 16 -4.005 -9.498 1.655 117 HD12 LEU 16 HD12 LEU 16 -3.363 -10.887 0.779 118 HD13 LEU 16 HD13 LEU 16 -4.498 -9.792 -0.013 119 HD21 LEU 16 HD21 LEU 16 -1.317 -8.829 -1.583 120 HD22 LEU 16 HD22 LEU 16 -2.973 -9.365 -1.873 121 HD23 LEU 16 HD23 LEU 16 -1.791 -10.482 -1.189 122 H VAL 17 H VAL 17 -1.374 -5.327 -1.344 123 HA VAL 17 HA VAL 17 0.909 -6.801 -2.350 124 HB VAL 17 HB VAL 17 -0.263 -4.064 -2.963 125 HG11 VAL 17 HG11 VAL 17 1.871 -5.698 -4.350 126 HG12 VAL 17 HG12 VAL 17 1.962 -4.019 -3.817 127 HG13 VAL 17 HG13 VAL 17 0.947 -4.453 -5.191 128 HG21 VAL 17 HG21 VAL 17 -0.534 -6.251 -4.911 129 HG22 VAL 17 HG22 VAL 17 -1.757 -5.138 -4.294 130 HG23 VAL 17 HG23 VAL 17 -1.334 -6.583 -3.375 131 H VAL 18 H VAL 18 0.535 -3.722 -0.573 132 HA VAL 18 HA VAL 18 3.293 -2.927 -0.607 133 HB VAL 18 HB VAL 18 1.023 -2.424 1.354 134 HG11 VAL 18 HG11 VAL 18 2.413 -0.326 1.852 135 HG12 VAL 18 HG12 VAL 18 3.754 -1.156 1.061 136 HG13 VAL 18 HG13 VAL 18 3.026 -1.842 2.513 137 HG21 VAL 18 HG21 VAL 18 0.318 -0.779 -0.059 138 HG22 VAL 18 HG22 VAL 18 1.206 -1.688 -1.281 139 HG23 VAL 18 HG23 VAL 18 1.963 -0.307 -0.485 140 H MET 19 H MET 19 1.499 -5.197 1.421 141 HA MET 19 HA MET 19 3.304 -5.452 3.614 142 HB2 MET 19 HB2 MET 19 0.902 -6.539 2.752 143 HB3 MET 19 HB3 MET 19 1.995 -7.923 2.694 144 HG2 MET 19 HG2 MET 19 2.457 -7.820 4.986 145 HG3 MET 19 HG3 MET 19 1.985 -6.125 5.105 146 HE1 MET 19 HE1 MET 19 -0.755 -7.097 7.321 147 HE2 MET 19 HE2 MET 19 -0.268 -5.628 6.479 148 HE3 MET 19 HE3 MET 19 0.959 -6.687 7.168 149 H SER 20 H SER 20 3.208 -7.163 0.469 150 HA SER 20 HA SER 20 5.708 -8.624 1.119 151 HB2 SER 20 HB2 SER 20 3.626 -8.643 -1.059 152 HB3 SER 20 HB3 SER 20 5.170 -9.455 -1.311 153 HG SER 20 HG SER 20 3.174 -10.521 -0.185 154 H ARG 21 H ARG 21 5.957 -5.747 0.934 155 HA ARG 21 HA ARG 21 7.919 -5.570 -1.292 156 HB2 ARG 21 HB2 ARG 21 5.476 -4.764 -1.846 157 HB3 ARG 21 HB3 ARG 21 5.918 -3.357 -0.879 158 HG2 ARG 21 HG2 ARG 21 8.118 -3.504 -2.422 159 HG3 ARG 21 HG3 ARG 21 6.958 -4.238 -3.529 160 HD2 ARG 21 HD2 ARG 21 6.700 -1.977 -4.069 161 HD3 ARG 21 HD3 ARG 21 5.465 -2.146 -2.807 162 HE ARG 21 HE ARG 21 6.887 -0.964 -1.295 163 HH11 ARG 21 HH11 ARG 21 7.693 0.244 -4.091 164 HH12 ARG 21 HH12 ARG 21 9.407 0.357 -3.870 165 HH21 ARG 21 HH21 ARG 21 9.442 -1.689 -1.058 166 HH22 ARG 21 HH22 ARG 21 10.402 -0.741 -2.145 167 H PHE 22 H PHE 22 6.425 -3.898 1.513 168 HA PHE 22 HA PHE 22 8.466 -1.946 1.928 169 HB2 PHE 22 HB2 PHE 22 6.092 -2.968 3.201 170 HB3 PHE 22 HB3 PHE 22 7.349 -2.754 4.420 171 HD1 PHE 22 HD1 PHE 22 5.605 -1.016 1.610 172 HD2 PHE 22 HD2 PHE 22 7.931 -0.598 5.196 173 HE1 PHE 22 HE1 PHE 22 5.236 1.436 1.563 174 HE2 PHE 22 HE2 PHE 22 7.563 1.854 5.150 175 HZ PHE 22 HZ PHE 22 6.215 2.871 3.334 176 H GLY 23 H GLY 23 8.095 -5.219 3.364 177 HA2 GLY 23 HA2 GLY 23 10.473 -5.090 4.971 178 HA3 GLY 23 HA3 GLY 23 9.649 -6.574 4.490 179 H PHE 24 H PHE 24 9.896 -5.998 1.605 180 HA PHE 24 HA PHE 24 12.440 -7.244 1.086 181 HB2 PHE 24 HB2 PHE 24 10.046 -6.395 -0.305 182 HB3 PHE 24 HB3 PHE 24 11.471 -5.972 -1.250 183 HD1 PHE 24 HD1 PHE 24 13.158 -7.747 -1.828 184 HD2 PHE 24 HD2 PHE 24 9.366 -8.673 -0.032 185 HE1 PHE 24 HE1 PHE 24 13.412 -10.118 -2.512 186 HE2 PHE 24 HE2 PHE 24 9.621 -11.043 -0.716 187 HZ PHE 24 HZ PHE 24 11.644 -11.765 -1.955 188 H PHE 25 H PHE 25 11.381 -3.862 1.121 189 HA PHE 25 HA PHE 25 13.988 -2.961 0.004 190 HB2 PHE 25 HB2 PHE 25 11.333 -2.144 -0.206 191 HB3 PHE 25 HB3 PHE 25 12.055 -0.934 0.854 192 HD1 PHE 25 HD1 PHE 25 12.488 -2.668 -2.425 193 HD2 PHE 25 HD2 PHE 25 13.502 0.734 -0.005 194 HE1 PHE 25 HE1 PHE 25 13.575 -1.598 -4.382 195 HE2 PHE 25 HE2 PHE 25 14.589 1.802 -1.961 196 HZ PHE 25 HZ PHE 25 14.625 0.636 -4.148 197 H ALA 26 H ALA 26 12.350 -3.245 3.084 198 HA ALA 26 HA ALA 26 14.220 -1.330 4.391 199 HB1 ALA 26 HB1 ALA 26 11.781 -1.249 4.831 200 HB2 ALA 26 HB2 ALA 26 12.682 -1.632 6.297 201 HB3 ALA 26 HB3 ALA 26 11.840 -2.910 5.421 202 H HIS 27 H HIS 27 13.457 -4.796 4.262 203 HA HIS 27 HA HIS 27 15.463 -5.382 6.380 204 HB2 HIS 27 HB2 HIS 27 13.004 -6.363 5.889 205 HB3 HIS 27 HB3 HIS 27 13.949 -7.500 4.927 206 HD1 HIS 27 HD1 HIS 27 16.184 -8.437 6.370 207 HD2 HIS 27 HD2 HIS 27 12.846 -7.159 8.518 208 HE1 HIS 27 HE1 HIS 27 16.381 -9.462 8.679 209 H LEU 28 H LEU 28 15.179 -5.424 2.893 210 HA LEU 28 HA LEU 28 17.600 -7.177 2.683 211 HB2 LEU 28 HB2 LEU 28 15.103 -6.958 1.304 212 HB3 LEU 28 HB3 LEU 28 16.385 -6.569 0.161 213 HG LEU 28 HG LEU 28 16.789 -8.931 1.947 214 HD11 LEU 28 HD11 LEU 28 15.007 -8.953 -0.510 215 HD12 LEU 28 HD12 LEU 28 14.464 -9.195 1.150 216 HD13 LEU 28 HD13 LEU 28 15.533 -10.374 0.391 217 HD21 LEU 28 HD21 LEU 28 17.934 -9.772 -0.064 218 HD22 LEU 28 HD22 LEU 28 18.518 -8.158 0.340 219 HD23 LEU 28 HD23 LEU 28 17.372 -8.374 -0.982 220 H LEU 29 H LEU 29 18.154 -4.608 3.556 221 HA LEU 29 HA LEU 29 19.372 -3.332 1.128 222 HB2 LEU 29 HB2 LEU 29 17.358 -2.136 1.994 223 HB3 LEU 29 HB3 LEU 29 18.148 -1.987 3.562 224 HG LEU 29 HG LEU 29 20.092 -0.976 1.955 225 HD11 LEU 29 HD11 LEU 29 18.289 -1.278 0.063 226 HD12 LEU 29 HD12 LEU 29 19.252 0.198 0.120 227 HD13 LEU 29 HD13 LEU 29 17.604 0.196 0.746 228 HD21 LEU 29 HD21 LEU 29 19.004 1.300 2.536 229 HD22 LEU 29 HD22 LEU 29 19.399 0.226 3.877 230 HD23 LEU 29 HD23 LEU 29 17.735 0.347 3.305 231 HA PRO 30 HA PRO 30 23.033 -3.857 3.614 232 HB2 PRO 30 HB2 PRO 30 24.742 -2.416 2.030 233 HB3 PRO 30 HB3 PRO 30 24.203 -4.058 1.626 234 HG2 PRO 30 HG2 PRO 30 23.252 -1.442 0.574 235 HG3 PRO 30 HG3 PRO 30 23.491 -2.980 -0.270 236 HD2 PRO 30 HD2 PRO 30 21.048 -2.054 0.517 237 HD3 PRO 30 HD3 PRO 30 21.434 -3.779 0.332 238 H ARG 31 H ARG 31 22.674 -2.636 5.491 239 HA ARG 31 HA ARG 31 23.536 0.221 5.410 240 HB2 ARG 31 HB2 ARG 31 21.516 0.779 6.791 241 HB3 ARG 31 HB3 ARG 31 21.110 0.222 5.170 242 HG2 ARG 31 HG2 ARG 31 20.044 -1.617 5.953 243 HG3 ARG 31 HG3 ARG 31 21.327 -1.971 7.108 244 HD2 ARG 31 HD2 ARG 31 19.485 -1.455 8.503 245 HD3 ARG 31 HD3 ARG 31 20.357 0.089 8.424 246 HE ARG 31 HE ARG 31 18.158 -0.503 6.481 247 HH11 ARG 31 HH11 ARG 31 19.794 2.094 6.612 248 HH12 ARG 31 HH12 ARG 31 18.677 3.143 7.418 249 HH21 ARG 31 HH21 ARG 31 16.635 0.546 8.511 250 HH22 ARG 31 HH22 ARG 31 16.876 2.261 8.495 Start of MODEL 25 1 HA ASP 1 HA ASP 1 -26.331 -9.044 -18.413 2 HB2 ASP 1 HB2 ASP 1 -26.908 -7.387 -20.220 3 HB3 ASP 1 HB3 ASP 1 -27.033 -6.144 -18.976 4 H THR 2 H THR 2 -25.297 -9.110 -16.454 5 HA THR 2 HA THR 2 -25.849 -6.917 -14.479 6 HB THR 2 HB THR 2 -25.458 -8.884 -12.798 7 HG1 THR 2 HG1 THR 2 -24.993 -10.643 -13.852 8 HG21 THR 2 HG21 THR 2 -27.609 -7.792 -13.039 9 HG22 THR 2 HG22 THR 2 -27.865 -9.537 -12.992 10 HG23 THR 2 HG23 THR 2 -27.933 -8.678 -14.530 11 H GLU 3 H GLU 3 -23.659 -7.010 -16.379 12 HA GLU 3 HA GLU 3 -21.379 -7.084 -14.456 13 HB2 GLU 3 HB2 GLU 3 -21.768 -9.215 -15.958 14 HB3 GLU 3 HB3 GLU 3 -21.082 -8.208 -17.233 15 HG2 GLU 3 HG2 GLU 3 -19.024 -8.694 -16.458 16 HG3 GLU 3 HG3 GLU 3 -19.425 -7.856 -14.959 17 H ILE 4 H ILE 4 -20.669 -4.989 -14.541 18 HA ILE 4 HA ILE 4 -20.416 -3.681 -17.230 19 HB ILE 4 HB ILE 4 -21.137 -2.461 -14.537 20 HG12 ILE 4 HG12 ILE 4 -23.235 -2.003 -16.268 21 HG13 ILE 4 HG13 ILE 4 -22.728 -3.625 -16.734 22 HG21 ILE 4 HG21 ILE 4 -19.968 -0.830 -15.867 23 HG22 ILE 4 HG22 ILE 4 -21.688 -0.462 -15.998 24 HG23 ILE 4 HG23 ILE 4 -20.860 -1.290 -17.318 25 HD11 ILE 4 HD11 ILE 4 -24.208 -2.809 -14.405 26 HD12 ILE 4 HD12 ILE 4 -22.688 -3.545 -13.896 27 HD13 ILE 4 HD13 ILE 4 -23.799 -4.442 -14.932 28 H ILE 5 H ILE 5 -18.621 -2.112 -17.340 29 HA ILE 5 HA ILE 5 -16.180 -3.067 -16.124 30 HB ILE 5 HB ILE 5 -16.910 -0.555 -17.670 31 HG12 ILE 5 HG12 ILE 5 -17.240 -2.714 -18.870 32 HG13 ILE 5 HG13 ILE 5 -15.948 -1.752 -19.584 33 HG21 ILE 5 HG21 ILE 5 -14.212 -1.682 -16.874 34 HG22 ILE 5 HG22 ILE 5 -14.865 -0.090 -16.488 35 HG23 ILE 5 HG23 ILE 5 -14.424 -0.483 -18.149 36 HD11 ILE 5 HD11 ILE 5 -15.189 -4.053 -19.410 37 HD12 ILE 5 HD12 ILE 5 -15.623 -4.108 -17.702 38 HD13 ILE 5 HD13 ILE 5 -14.294 -3.081 -18.242 39 H GLY 6 H GLY 6 -15.574 -2.647 -14.050 40 HA2 GLY 6 HA2 GLY 6 -14.855 -0.601 -12.633 41 HA3 GLY 6 HA3 GLY 6 -16.556 -0.146 -12.738 42 H GLY 7 H GLY 7 -18.060 -1.210 -11.424 43 HA2 GLY 7 HA2 GLY 7 -18.782 -3.027 -9.987 44 HA3 GLY 7 HA3 GLY 7 -17.095 -3.487 -9.768 45 H LEU 8 H LEU 8 -16.183 -0.740 -9.215 46 HA LEU 8 HA LEU 8 -15.867 0.670 -7.355 47 HB2 LEU 8 HB2 LEU 8 -18.709 0.311 -7.812 48 HB3 LEU 8 HB3 LEU 8 -18.397 0.534 -6.090 49 HG LEU 8 HG LEU 8 -16.755 2.437 -7.149 50 HD11 LEU 8 HD11 LEU 8 -17.567 1.981 -9.440 51 HD12 LEU 8 HD12 LEU 8 -18.015 3.604 -8.916 52 HD13 LEU 8 HD13 LEU 8 -19.218 2.314 -8.917 53 HD21 LEU 8 HD21 LEU 8 -18.798 3.993 -6.714 54 HD22 LEU 8 HD22 LEU 8 -18.193 3.021 -5.374 55 HD23 LEU 8 HD23 LEU 8 -19.634 2.510 -6.252 56 H THR 9 H THR 9 -15.335 -2.227 -7.090 57 HA THR 9 HA THR 9 -15.540 -2.433 -4.113 58 HB THR 9 HB THR 9 -15.960 -4.944 -4.609 59 HG1 THR 9 HG1 THR 9 -15.518 -4.960 -6.786 60 HG21 THR 9 HG21 THR 9 -17.668 -3.336 -3.751 61 HG22 THR 9 HG22 THR 9 -18.358 -4.589 -4.782 62 HG23 THR 9 HG23 THR 9 -18.106 -2.965 -5.419 63 H ILE 10 H ILE 10 -13.234 -1.606 -4.543 64 HA ILE 10 HA ILE 10 -11.321 -3.413 -5.800 65 HB ILE 10 HB ILE 10 -9.674 -1.778 -4.814 66 HG12 ILE 10 HG12 ILE 10 -12.092 -0.219 -3.877 67 HG13 ILE 10 HG13 ILE 10 -11.224 -1.305 -2.793 68 HG21 ILE 10 HG21 ILE 10 -11.926 -0.232 -6.071 69 HG22 ILE 10 HG22 ILE 10 -11.101 -1.490 -6.991 70 HG23 ILE 10 HG23 ILE 10 -10.192 -0.112 -6.369 71 HD11 ILE 10 HD11 ILE 10 -9.745 0.781 -4.387 72 HD12 ILE 10 HD12 ILE 10 -9.244 -0.037 -2.907 73 HD13 ILE 10 HD13 ILE 10 -10.508 1.192 -2.851 74 HA PRO 11 HA PRO 11 -10.773 -6.017 -2.260 75 HB2 PRO 11 HB2 PRO 11 -8.560 -7.363 -3.141 76 HB3 PRO 11 HB3 PRO 11 -10.194 -7.680 -3.758 77 HG2 PRO 11 HG2 PRO 11 -7.978 -6.123 -4.979 78 HG3 PRO 11 HG3 PRO 11 -9.185 -7.165 -5.746 79 HD2 PRO 11 HD2 PRO 11 -9.301 -4.423 -5.727 80 HD3 PRO 11 HD3 PRO 11 -10.714 -5.484 -5.914 81 HA PRO 12 HA PRO 12 -7.683 -3.969 0.149 82 HB2 PRO 12 HB2 PRO 12 -7.180 -5.882 2.038 83 HB3 PRO 12 HB3 PRO 12 -8.673 -4.924 2.001 84 HG2 PRO 12 HG2 PRO 12 -8.192 -7.710 1.080 85 HG3 PRO 12 HG3 PRO 12 -9.600 -7.018 1.897 86 HD2 PRO 12 HD2 PRO 12 -9.498 -7.521 -0.784 87 HD3 PRO 12 HD3 PRO 12 -10.527 -6.271 -0.051 88 H VAL 13 H VAL 13 -6.978 -6.815 -1.639 89 HA VAL 13 HA VAL 13 -4.374 -7.560 -0.871 90 HB VAL 13 HB VAL 13 -5.694 -7.351 -3.599 91 HG11 VAL 13 HG11 VAL 13 -3.955 -9.297 -4.006 92 HG12 VAL 13 HG12 VAL 13 -3.056 -8.486 -2.723 93 HG13 VAL 13 HG13 VAL 13 -3.460 -7.616 -4.204 94 HG21 VAL 13 HG21 VAL 13 -6.902 -8.821 -2.105 95 HG22 VAL 13 HG22 VAL 13 -5.406 -9.576 -1.557 96 HG23 VAL 13 HG23 VAL 13 -5.973 -9.837 -3.206 97 H VAL 14 H VAL 14 -5.395 -4.778 -2.867 98 HA VAL 14 HA VAL 14 -2.852 -3.954 -3.836 99 HB VAL 14 HB VAL 14 -3.946 -1.729 -4.021 100 HG11 VAL 14 HG11 VAL 14 -4.663 -4.046 -5.288 101 HG12 VAL 14 HG12 VAL 14 -5.273 -2.449 -5.720 102 HG13 VAL 14 HG13 VAL 14 -6.220 -3.499 -4.665 103 HG21 VAL 14 HG21 VAL 14 -6.425 -1.732 -3.201 104 HG22 VAL 14 HG22 VAL 14 -5.152 -1.421 -2.021 105 HG23 VAL 14 HG23 VAL 14 -5.898 -3.016 -2.112 106 H ALA 15 H ALA 15 -4.419 -3.339 -0.694 107 HA ALA 15 HA ALA 15 -2.312 -1.567 0.285 108 HB1 ALA 15 HB1 ALA 15 -4.493 -3.152 1.691 109 HB2 ALA 15 HB2 ALA 15 -4.670 -1.516 1.059 110 HB3 ALA 15 HB3 ALA 15 -3.574 -1.827 2.405 111 H LEU 16 H LEU 16 -3.124 -5.016 0.571 112 HA LEU 16 HA LEU 16 -1.193 -5.789 2.526 113 HB2 LEU 16 HB2 LEU 16 -3.075 -6.957 0.699 114 HB3 LEU 16 HB3 LEU 16 -1.552 -7.831 0.552 115 HG LEU 16 HG LEU 16 -1.540 -7.905 3.125 116 HD11 LEU 16 HD11 LEU 16 -4.451 -7.206 2.624 117 HD12 LEU 16 HD12 LEU 16 -3.280 -6.193 3.468 118 HD13 LEU 16 HD13 LEU 16 -3.779 -7.733 4.167 119 HD21 LEU 16 HD21 LEU 16 -1.996 -9.886 1.774 120 HD22 LEU 16 HD22 LEU 16 -3.664 -9.372 1.529 121 HD23 LEU 16 HD23 LEU 16 -3.116 -9.850 3.135 122 H VAL 17 H VAL 17 -0.952 -5.462 -1.020 123 HA VAL 17 HA VAL 17 1.712 -6.526 -1.298 124 HB VAL 17 HB VAL 17 0.065 -4.554 -2.924 125 HG11 VAL 17 HG11 VAL 17 2.220 -4.189 -3.755 126 HG12 VAL 17 HG12 VAL 17 1.665 -5.516 -4.777 127 HG13 VAL 17 HG13 VAL 17 2.738 -5.841 -3.416 128 HG21 VAL 17 HG21 VAL 17 0.583 -7.304 -3.886 129 HG22 VAL 17 HG22 VAL 17 -0.911 -6.368 -3.907 130 HG23 VAL 17 HG23 VAL 17 -0.417 -7.206 -2.437 131 H VAL 18 H VAL 18 0.472 -3.197 -0.844 132 HA VAL 18 HA VAL 18 2.956 -1.803 -1.033 133 HB VAL 18 HB VAL 18 0.356 -1.316 0.453 134 HG11 VAL 18 HG11 VAL 18 2.647 0.630 0.029 135 HG12 VAL 18 HG12 VAL 18 2.193 -0.081 1.578 136 HG13 VAL 18 HG13 VAL 18 1.084 1.013 0.750 137 HG21 VAL 18 HG21 VAL 18 0.476 -1.354 -2.102 138 HG22 VAL 18 HG22 VAL 18 1.500 0.078 -1.980 139 HG23 VAL 18 HG23 VAL 18 -0.160 0.127 -1.388 140 H MET 19 H MET 19 1.378 -3.425 1.725 141 HA MET 19 HA MET 19 3.254 -2.552 3.744 142 HB2 MET 19 HB2 MET 19 0.891 -3.496 3.994 143 HB3 MET 19 HB3 MET 19 1.590 -5.086 3.688 144 HG2 MET 19 HG2 MET 19 3.095 -3.594 5.700 145 HG3 MET 19 HG3 MET 19 1.412 -3.834 6.170 146 HE1 MET 19 HE1 MET 19 0.977 -7.136 7.262 147 HE2 MET 19 HE2 MET 19 0.502 -5.451 7.063 148 HE3 MET 19 HE3 MET 19 1.772 -5.871 8.208 149 H SER 20 H SER 20 3.000 -5.538 1.777 150 HA SER 20 HA SER 20 5.237 -6.931 2.873 151 HB2 SER 20 HB2 SER 20 3.730 -6.906 0.271 152 HB3 SER 20 HB3 SER 20 5.178 -7.899 0.417 153 HG SER 20 HG SER 20 2.970 -8.766 1.063 154 H ARG 21 H ARG 21 5.022 -4.446 0.340 155 HA ARG 21 HA ARG 21 7.663 -4.602 -0.711 156 HB2 ARG 21 HB2 ARG 21 5.526 -3.240 -1.377 157 HB3 ARG 21 HB3 ARG 21 6.172 -2.019 -0.280 158 HG2 ARG 21 HG2 ARG 21 8.339 -2.113 -1.548 159 HG3 ARG 21 HG3 ARG 21 7.558 -3.188 -2.708 160 HD2 ARG 21 HD2 ARG 21 7.254 -1.080 -3.714 161 HD3 ARG 21 HD3 ARG 21 5.737 -1.270 -2.813 162 HE ARG 21 HE ARG 21 6.783 0.074 -0.978 163 HH11 ARG 21 HH11 ARG 21 9.556 -0.275 -2.436 164 HH12 ARG 21 HH12 ARG 21 9.816 1.359 -2.944 165 HH21 ARG 21 HH21 ARG 21 6.534 2.340 -2.350 166 HH22 ARG 21 HH22 ARG 21 8.097 2.847 -2.893 167 H PHE 22 H PHE 22 6.417 -3.063 2.242 168 HA PHE 22 HA PHE 22 8.717 -1.481 2.902 169 HB2 PHE 22 HB2 PHE 22 6.340 -1.517 3.893 170 HB3 PHE 22 HB3 PHE 22 6.873 -2.905 4.840 171 HD1 PHE 22 HD1 PHE 22 7.548 0.685 4.131 172 HD2 PHE 22 HD2 PHE 22 8.272 -2.640 6.754 173 HE1 PHE 22 HE1 PHE 22 8.608 2.211 5.772 174 HE2 PHE 22 HE2 PHE 22 9.333 -1.112 8.396 175 HZ PHE 22 HZ PHE 22 9.500 1.313 7.905 176 H GLY 23 H GLY 23 7.787 -4.802 3.890 177 HA2 GLY 23 HA2 GLY 23 10.229 -5.336 5.331 178 HA3 GLY 23 HA3 GLY 23 9.082 -6.557 4.769 179 H PHE 24 H PHE 24 9.151 -5.899 1.988 180 HA PHE 24 HA PHE 24 11.351 -7.445 1.046 181 HB2 PHE 24 HB2 PHE 24 9.038 -6.136 0.051 182 HB3 PHE 24 HB3 PHE 24 10.390 -5.543 -0.913 183 HD1 PHE 24 HD1 PHE 24 8.760 -8.663 0.332 184 HD2 PHE 24 HD2 PHE 24 11.400 -6.903 -2.566 185 HE1 PHE 24 HE2 PHE 24 8.811 -10.802 -0.924 186 HE2 PHE 24 HE1 PHE 24 11.450 -9.041 -3.819 187 HZ PHE 24 HZ PHE 24 10.155 -10.991 -2.999 188 H PHE 25 H PHE 25 10.898 -3.891 1.185 189 HA PHE 25 HA PHE 25 13.337 -3.099 -0.047 190 HB2 PHE 25 HB2 PHE 25 11.146 -1.890 1.062 191 HB3 PHE 25 HB3 PHE 25 12.367 -1.529 2.279 192 HD1 PHE 25 HD1 PHE 25 14.824 -1.219 0.739 193 HD2 PHE 25 HD2 PHE 25 10.830 0.049 -0.213 194 HE1 PHE 25 HE2 PHE 25 15.738 0.571 -0.710 195 HE2 PHE 25 HE1 PHE 25 11.748 1.841 -1.662 196 HZ PHE 25 HZ PHE 25 14.201 2.102 -1.909 197 H ALA 26 H ALA 26 12.619 -3.688 3.422 198 HA ALA 26 HA ALA 26 15.280 -3.193 4.390 199 HB1 ALA 26 HB1 ALA 26 12.898 -4.782 5.379 200 HB2 ALA 26 HB2 ALA 26 13.418 -3.177 5.895 201 HB3 ALA 26 HB3 ALA 26 14.367 -4.597 6.337 202 H HIS 27 H HIS 27 13.637 -6.146 3.260 203 HA HIS 27 HA HIS 27 15.746 -7.999 3.920 204 HB2 HIS 27 HB2 HIS 27 13.271 -7.905 2.254 205 HB3 HIS 27 HB3 HIS 27 14.420 -9.193 1.898 206 HD1 HIS 27 HD1 HIS 27 13.706 -7.775 5.349 207 HD2 HIS 27 HD2 HIS 27 13.124 -11.303 3.203 208 HE1 HIS 27 HE1 HIS 27 12.842 -9.487 7.003 209 H LEU 28 H LEU 28 15.176 -5.870 1.151 210 HA LEU 28 HA LEU 28 17.346 -7.129 -0.427 211 HB2 LEU 28 HB2 LEU 28 15.237 -5.020 -0.814 212 HB3 LEU 28 HB3 LEU 28 16.600 -5.087 -1.931 213 HG LEU 28 HG LEU 28 14.981 -7.550 -1.267 214 HD11 LEU 28 HD11 LEU 28 13.483 -7.115 -3.023 215 HD12 LEU 28 HD12 LEU 28 14.519 -5.874 -3.727 216 HD13 LEU 28 HD13 LEU 28 13.632 -5.542 -2.240 217 HD21 LEU 28 HD21 LEU 28 16.054 -8.495 -3.125 218 HD22 LEU 28 HD22 LEU 28 17.328 -7.480 -2.450 219 HD23 LEU 28 HD23 LEU 28 16.404 -6.923 -3.845 220 H LEU 29 H LEU 29 17.689 -5.446 2.209 221 HA LEU 29 HA LEU 29 19.288 -3.965 3.072 222 HB2 LEU 29 HB2 LEU 29 20.754 -5.497 1.823 223 HB3 LEU 29 HB3 LEU 29 20.541 -4.530 0.364 224 HG LEU 29 HG LEU 29 21.318 -2.684 2.328 225 HD11 LEU 29 HD11 LEU 29 22.590 -5.364 2.716 226 HD12 LEU 29 HD12 LEU 29 22.214 -4.118 3.907 227 HD13 LEU 29 HD13 LEU 29 23.613 -3.934 2.850 228 HD21 LEU 29 HD21 LEU 29 23.396 -2.573 0.984 229 HD22 LEU 29 HD22 LEU 29 21.970 -2.678 -0.049 230 HD23 LEU 29 HD23 LEU 29 22.974 -4.103 0.216 231 HA PRO 30 HA PRO 30 17.573 -0.364 0.838 232 HB2 PRO 30 HB2 PRO 30 16.607 0.886 3.068 233 HB3 PRO 30 HB3 PRO 30 15.705 -0.375 2.208 234 HG2 PRO 30 HG2 PRO 30 17.192 -0.527 4.756 235 HG3 PRO 30 HG3 PRO 30 15.760 -1.418 4.225 236 HD2 PRO 30 HD2 PRO 30 18.378 -2.399 4.267 237 HD3 PRO 30 HD3 PRO 30 17.005 -3.115 3.399 238 H ARG 31 H ARG 31 20.352 -0.625 1.369 239 HA ARG 31 HA ARG 31 21.003 2.107 2.387 240 HB2 ARG 31 HB2 ARG 31 22.060 -0.574 3.301 241 HB3 ARG 31 HB3 ARG 31 22.999 0.901 3.531 242 HG2 ARG 31 HG2 ARG 31 20.956 1.901 4.660 243 HG3 ARG 31 HG3 ARG 31 20.241 0.290 4.624 244 HD2 ARG 31 HD2 ARG 31 22.984 0.282 5.682 245 HD3 ARG 31 HD3 ARG 31 21.861 1.252 6.656 246 HE ARG 31 HE ARG 31 21.580 -1.651 6.081 247 HH11 ARG 31 HH11 ARG 31 21.605 -0.516 8.866 248 HH12 ARG 31 HH12 ARG 31 19.920 -0.514 9.269 249 HH21 ARG 31 HH21 ARG 31 18.863 -0.890 5.977 250 HH22 ARG 31 HH22 ARG 31 18.361 -0.730 7.627 Start of MODEL 26 1 HA ASP 1 HA ASP 1 -10.392 11.993 -15.724 2 HB2 ASP 1 HB2 ASP 1 -11.677 14.049 -16.322 3 HB3 ASP 1 HB3 ASP 1 -11.047 13.224 -17.745 4 H THR 2 H THR 2 -12.324 9.834 -14.860 5 HA THR 2 HA THR 2 -14.265 11.330 -13.180 6 HB THR 2 HB THR 2 -15.040 8.994 -12.663 7 HG1 THR 2 HG1 THR 2 -13.898 7.344 -13.304 8 HG21 THR 2 HG21 THR 2 -14.715 9.811 -15.559 9 HG22 THR 2 HG22 THR 2 -16.095 10.118 -14.505 10 HG23 THR 2 HG23 THR 2 -15.743 8.475 -15.039 11 H GLU 3 H GLU 3 -11.159 11.127 -12.755 12 HA GLU 3 HA GLU 3 -11.070 9.813 -10.097 13 HB2 GLU 3 HB2 GLU 3 -9.221 10.600 -12.233 14 HB3 GLU 3 HB3 GLU 3 -8.619 11.034 -10.632 15 HG2 GLU 3 HG2 GLU 3 -9.043 8.707 -9.866 16 HG3 GLU 3 HG3 GLU 3 -9.563 8.284 -11.498 17 H ILE 4 H ILE 4 -11.544 11.013 -8.315 18 HA ILE 4 HA ILE 4 -11.415 13.993 -8.487 19 HB ILE 4 HB ILE 4 -12.724 12.133 -6.468 20 HG12 ILE 4 HG12 ILE 4 -14.704 13.446 -7.922 21 HG13 ILE 4 HG13 ILE 4 -13.511 13.024 -9.149 22 HG21 ILE 4 HG21 ILE 4 -12.227 14.414 -5.620 23 HG22 ILE 4 HG22 ILE 4 -13.961 14.138 -5.779 24 HG23 ILE 4 HG23 ILE 4 -13.107 15.099 -6.987 25 HD11 ILE 4 HD11 ILE 4 -13.540 10.681 -8.388 26 HD12 ILE 4 HD12 ILE 4 -15.158 11.207 -8.847 27 HD13 ILE 4 HD13 ILE 4 -14.718 11.095 -7.142 28 H ILE 5 H ILE 5 -10.687 11.411 -6.089 29 HA ILE 5 HA ILE 5 -8.535 13.176 -4.973 30 HB ILE 5 HB ILE 5 -9.950 10.811 -3.697 31 HG12 ILE 5 HG12 ILE 5 -11.591 12.574 -4.291 32 HG13 ILE 5 HG13 ILE 5 -11.372 12.467 -2.545 33 HG21 ILE 5 HG21 ILE 5 -8.106 11.180 -2.358 34 HG22 ILE 5 HG22 ILE 5 -9.214 12.353 -1.646 35 HG23 ILE 5 HG23 ILE 5 -7.991 12.883 -2.801 36 HD11 ILE 5 HD11 ILE 5 -9.955 14.464 -4.338 37 HD12 ILE 5 HD12 ILE 5 -9.865 14.390 -2.578 38 HD13 ILE 5 HD13 ILE 5 -11.381 14.824 -3.366 39 H GLY 6 H GLY 6 -8.362 11.235 -7.333 40 HA2 GLY 6 HA2 GLY 6 -6.770 9.727 -8.161 41 HA3 GLY 6 HA3 GLY 6 -5.793 10.116 -6.745 42 H GLY 7 H GLY 7 -8.880 8.385 -7.369 43 HA2 GLY 7 HA2 GLY 7 -9.107 5.982 -6.984 44 HA3 GLY 7 HA3 GLY 7 -7.782 6.083 -5.823 45 H LEU 8 H LEU 8 -11.203 6.490 -6.285 46 HA LEU 8 HA LEU 8 -11.668 7.677 -3.635 47 HB2 LEU 8 HB2 LEU 8 -13.053 7.294 -6.120 48 HB3 LEU 8 HB3 LEU 8 -14.035 6.612 -4.826 49 HG LEU 8 HG LEU 8 -14.558 9.000 -5.181 50 HD11 LEU 8 HD11 LEU 8 -14.560 7.874 -2.873 51 HD12 LEU 8 HD12 LEU 8 -14.528 9.637 -2.893 52 HD13 LEU 8 HD13 LEU 8 -13.047 8.732 -2.579 53 HD21 LEU 8 HD21 LEU 8 -11.762 9.613 -4.207 54 HD22 LEU 8 HD22 LEU 8 -12.938 10.720 -4.915 55 HD23 LEU 8 HD23 LEU 8 -12.144 9.512 -5.926 56 H THR 9 H THR 9 -12.292 4.534 -5.202 57 HA THR 9 HA THR 9 -12.704 3.343 -2.478 58 HB THR 9 HB THR 9 -13.990 1.604 -3.863 59 HG1 THR 9 HG1 THR 9 -13.194 2.076 -5.884 60 HG21 THR 9 HG21 THR 9 -14.900 4.493 -3.806 61 HG22 THR 9 HG22 THR 9 -15.179 3.271 -2.565 62 HG23 THR 9 HG23 THR 9 -15.963 3.127 -4.139 63 H ILE 10 H ILE 10 -10.470 2.818 -2.144 64 HA ILE 10 HA ILE 10 -9.090 1.144 -4.165 65 HB ILE 10 HB ILE 10 -7.179 1.402 -2.553 66 HG12 ILE 10 HG12 ILE 10 -8.361 3.531 -0.983 67 HG13 ILE 10 HG13 ILE 10 -9.259 2.033 -0.739 68 HG21 ILE 10 HG21 ILE 10 -7.834 3.079 -4.392 69 HG22 ILE 10 HG22 ILE 10 -6.753 3.660 -3.125 70 HG23 ILE 10 HG23 ILE 10 -8.466 4.081 -3.085 71 HD11 ILE 10 HD11 ILE 10 -7.255 0.847 -0.110 72 HD12 ILE 10 HD12 ILE 10 -7.307 2.338 0.832 73 HD13 ILE 10 HD13 ILE 10 -6.241 2.216 -0.568 74 HA PRO 11 HA PRO 11 -10.379 -2.548 -2.070 75 HB2 PRO 11 HB2 PRO 11 -8.759 -4.301 -3.410 76 HB3 PRO 11 HB3 PRO 11 -10.225 -3.600 -4.124 77 HG2 PRO 11 HG2 PRO 11 -7.378 -2.846 -4.527 78 HG3 PRO 11 HG3 PRO 11 -8.708 -2.897 -5.693 79 HD2 PRO 11 HD2 PRO 11 -7.771 -0.596 -4.550 80 HD3 PRO 11 HD3 PRO 11 -9.431 -0.799 -5.153 81 HA PRO 12 HA PRO 12 -7.288 -3.091 1.044 82 HB2 PRO 12 HB2 PRO 12 -8.004 -5.556 2.003 83 HB3 PRO 12 HB3 PRO 12 -8.924 -4.076 2.345 84 HG2 PRO 12 HG2 PRO 12 -9.466 -6.223 0.353 85 HG3 PRO 12 HG3 PRO 12 -10.594 -5.331 1.386 86 HD2 PRO 12 HD2 PRO 12 -10.236 -4.776 -1.250 87 HD3 PRO 12 HD3 PRO 12 -10.710 -3.550 -0.054 88 H VAL 13 H VAL 13 -7.681 -5.455 -1.524 89 HA VAL 13 HA VAL 13 -5.458 -7.176 -0.973 90 HB VAL 13 HB VAL 13 -6.799 -6.290 -3.555 91 HG11 VAL 13 HG11 VAL 13 -4.616 -7.250 -4.071 92 HG12 VAL 13 HG12 VAL 13 -5.871 -8.420 -4.481 93 HG13 VAL 13 HG13 VAL 13 -4.931 -8.617 -3.002 94 HG21 VAL 13 HG21 VAL 13 -8.369 -7.912 -3.163 95 HG22 VAL 13 HG22 VAL 13 -7.909 -7.655 -1.481 96 HG23 VAL 13 HG23 VAL 13 -7.208 -8.993 -2.393 97 H VAL 14 H VAL 14 -5.687 -4.161 -2.903 98 HA VAL 14 HA VAL 14 -2.977 -4.093 -3.821 99 HB VAL 14 HB VAL 14 -5.064 -1.966 -3.234 100 HG11 VAL 14 HG11 VAL 14 -3.508 -0.700 -4.974 101 HG12 VAL 14 HG12 VAL 14 -2.261 -1.733 -4.274 102 HG13 VAL 14 HG13 VAL 14 -3.169 -0.624 -3.245 103 HG21 VAL 14 HG21 VAL 14 -5.323 -3.789 -5.074 104 HG22 VAL 14 HG22 VAL 14 -4.060 -2.899 -5.923 105 HG23 VAL 14 HG23 VAL 14 -5.585 -2.106 -5.533 106 H ALA 15 H ALA 15 -4.500 -2.722 -0.883 107 HA ALA 15 HA ALA 15 -2.180 -1.416 0.171 108 HB1 ALA 15 HB1 ALA 15 -4.553 -2.695 1.573 109 HB2 ALA 15 HB2 ALA 15 -4.525 -1.065 0.898 110 HB3 ALA 15 HB3 ALA 15 -3.489 -1.471 2.267 111 H LEU 16 H LEU 16 -3.400 -4.751 0.544 112 HA LEU 16 HA LEU 16 -1.525 -5.622 2.536 113 HB2 LEU 16 HB2 LEU 16 -3.726 -6.653 1.528 114 HB3 LEU 16 HB3 LEU 16 -2.630 -7.387 0.357 115 HG LEU 16 HG LEU 16 -1.277 -8.248 2.330 116 HD11 LEU 16 HD11 LEU 16 -2.005 -6.837 4.110 117 HD12 LEU 16 HD12 LEU 16 -2.687 -8.424 4.463 118 HD13 LEU 16 HD13 LEU 16 -3.706 -7.162 3.771 119 HD21 LEU 16 HD21 LEU 16 -2.813 -10.119 2.752 120 HD22 LEU 16 HD22 LEU 16 -2.871 -9.663 1.050 121 HD23 LEU 16 HD23 LEU 16 -4.165 -9.166 2.140 122 H VAL 17 H VAL 17 -1.414 -5.690 -1.039 123 HA VAL 17 HA VAL 17 1.071 -7.087 -1.323 124 HB VAL 17 HB VAL 17 -0.398 -5.032 -3.011 125 HG11 VAL 17 HG11 VAL 17 1.741 -4.894 -3.936 126 HG12 VAL 17 HG12 VAL 17 1.050 -6.229 -4.859 127 HG13 VAL 17 HG13 VAL 17 2.143 -6.558 -3.513 128 HG21 VAL 17 HG21 VAL 17 -0.156 -8.054 -3.194 129 HG22 VAL 17 HG22 VAL 17 -1.069 -7.030 -4.303 130 HG23 VAL 17 HG23 VAL 17 -1.571 -7.173 -2.618 131 H VAL 18 H VAL 18 0.315 -3.617 -0.955 132 HA VAL 18 HA VAL 18 2.986 -2.610 -1.315 133 HB VAL 18 HB VAL 18 0.587 -1.592 0.253 134 HG11 VAL 18 HG11 VAL 18 1.641 0.614 0.119 135 HG12 VAL 18 HG12 VAL 18 3.020 -0.072 -0.739 136 HG13 VAL 18 HG13 VAL 18 2.724 -0.507 0.944 137 HG21 VAL 18 HG21 VAL 18 -0.216 -0.758 -1.715 138 HG22 VAL 18 HG22 VAL 18 0.789 -2.010 -2.443 139 HG23 VAL 18 HG23 VAL 18 1.393 -0.359 -2.315 140 H MET 19 H MET 19 1.226 -3.840 1.520 141 HA MET 19 HA MET 19 3.166 -3.092 3.519 142 HB2 MET 19 HB2 MET 19 0.670 -3.912 3.637 143 HB3 MET 19 HB3 MET 19 1.388 -5.523 3.662 144 HG2 MET 19 HG2 MET 19 1.411 -5.130 5.925 145 HG3 MET 19 HG3 MET 19 2.937 -4.343 5.523 146 HE1 MET 19 HE1 MET 19 1.796 -2.196 8.221 147 HE2 MET 19 HE2 MET 19 3.081 -1.767 7.095 148 HE3 MET 19 HE3 MET 19 2.850 -3.451 7.558 149 H SER 20 H SER 20 2.703 -6.021 1.532 150 HA SER 20 HA SER 20 4.750 -7.635 2.738 151 HB2 SER 20 HB2 SER 20 3.218 -7.525 0.169 152 HB3 SER 20 HB3 SER 20 4.632 -8.573 0.233 153 HG SER 20 HG SER 20 2.458 -9.409 0.945 154 H ARG 21 H ARG 21 4.835 -5.150 0.203 155 HA ARG 21 HA ARG 21 7.470 -5.630 -0.803 156 HB2 ARG 21 HB2 ARG 21 5.517 -4.113 -1.615 157 HB3 ARG 21 HB3 ARG 21 6.186 -2.912 -0.510 158 HG2 ARG 21 HG2 ARG 21 7.354 -2.377 -2.438 159 HG3 ARG 21 HG3 ARG 21 8.461 -3.548 -1.723 160 HD2 ARG 21 HD2 ARG 21 8.196 -4.948 -3.484 161 HD3 ARG 21 HD3 ARG 21 6.431 -4.900 -3.313 162 HE ARG 21 HE ARG 21 6.450 -2.791 -4.636 163 HH11 ARG 21 HH11 ARG 21 7.717 -5.064 -6.277 164 HH12 ARG 21 HH12 ARG 21 9.082 -4.247 -6.962 165 HH21 ARG 21 HH21 ARG 21 8.900 -1.552 -4.775 166 HH22 ARG 21 HH22 ARG 21 9.752 -2.251 -6.110 167 H PHE 22 H PHE 22 6.365 -4.149 2.185 168 HA PHE 22 HA PHE 22 8.560 -2.494 2.865 169 HB2 PHE 22 HB2 PHE 22 6.258 -3.022 4.008 170 HB3 PHE 22 HB3 PHE 22 7.163 -4.276 4.853 171 HD1 PHE 22 HD1 PHE 22 9.041 -3.688 6.352 172 HD2 PHE 22 HD2 PHE 22 6.649 -0.671 4.446 173 HE1 PHE 22 HE1 PHE 22 9.945 -1.986 7.913 174 HE2 PHE 22 HE2 PHE 22 7.553 1.030 6.008 175 HZ PHE 22 HZ PHE 22 9.200 0.373 7.741 176 H GLY 23 H GLY 23 8.198 -6.034 3.113 177 HA2 GLY 23 HA2 GLY 23 10.516 -6.593 4.671 178 HA3 GLY 23 HA3 GLY 23 9.798 -7.709 3.507 179 H PHE 24 H PHE 24 10.108 -6.017 1.192 180 HA PHE 24 HA PHE 24 12.773 -6.693 0.354 181 HB2 PHE 24 HB2 PHE 24 10.423 -5.970 -0.828 182 HB3 PHE 24 HB3 PHE 24 11.327 -4.465 -0.981 183 HD1 PHE 24 HD1 PHE 24 13.556 -4.455 -2.127 184 HD2 PHE 24 HD2 PHE 24 10.996 -7.905 -2.126 185 HE1 PHE 24 HE2 PHE 24 14.845 -5.412 -4.016 186 HE2 PHE 24 HE1 PHE 24 12.285 -8.862 -4.015 187 HZ PHE 24 HZ PHE 24 14.209 -7.615 -4.961 188 H PHE 25 H PHE 25 11.280 -3.573 1.276 189 HA PHE 25 HA PHE 25 13.578 -1.913 0.977 190 HB2 PHE 25 HB2 PHE 25 10.953 -1.875 2.354 191 HB3 PHE 25 HB3 PHE 25 12.164 -0.791 3.039 192 HD1 PHE 25 HD1 PHE 25 13.509 0.669 1.324 193 HD2 PHE 25 HD2 PHE 25 9.730 -1.189 0.475 194 HE1 PHE 25 HE2 PHE 25 13.144 2.263 -0.537 195 HE2 PHE 25 HE1 PHE 25 9.366 0.407 -1.388 196 HZ PHE 25 HZ PHE 25 11.072 2.134 -1.894 197 H ALA 26 H ALA 26 12.471 -3.888 3.740 198 HA ALA 26 HA ALA 26 14.440 -2.991 5.637 199 HB1 ALA 26 HB1 ALA 26 13.273 -5.771 5.540 200 HB2 ALA 26 HB2 ALA 26 12.235 -4.383 5.869 201 HB3 ALA 26 HB3 ALA 26 13.580 -4.753 6.947 202 H HIS 27 H HIS 27 14.440 -5.591 3.200 203 HA HIS 27 HA HIS 27 16.908 -6.845 3.984 204 HB2 HIS 27 HB2 HIS 27 14.937 -6.927 1.847 205 HB3 HIS 27 HB3 HIS 27 16.565 -7.095 1.194 206 HD1 HIS 27 HD1 HIS 27 14.071 -8.805 3.407 207 HD2 HIS 27 HD2 HIS 27 17.965 -9.432 2.057 208 HE1 HIS 27 HE1 HIS 27 14.662 -11.194 4.007 209 H LEU 28 H LEU 28 16.165 -4.068 1.905 210 HA LEU 28 HA LEU 28 18.954 -3.771 0.993 211 HB2 LEU 28 HB2 LEU 28 16.269 -2.606 0.487 212 HB3 LEU 28 HB3 LEU 28 17.623 -1.497 0.268 213 HG LEU 28 HG LEU 28 18.697 -3.434 -1.102 214 HD11 LEU 28 HD11 LEU 28 15.772 -4.232 -1.048 215 HD12 LEU 28 HD12 LEU 28 17.148 -5.203 -0.524 216 HD13 LEU 28 HD13 LEU 28 16.930 -4.831 -2.234 217 HD21 LEU 28 HD21 LEU 28 17.679 -2.586 -3.122 218 HD22 LEU 28 HD22 LEU 28 17.767 -1.246 -1.979 219 HD23 LEU 28 HD23 LEU 28 16.235 -2.079 -2.244 220 H LEU 29 H LEU 29 16.708 -2.122 3.231 221 HA LEU 29 HA LEU 29 18.782 -0.178 4.047 222 HB2 LEU 29 HB2 LEU 29 16.294 0.270 3.670 223 HB3 LEU 29 HB3 LEU 29 15.998 -0.636 5.154 224 HG LEU 29 HG LEU 29 18.090 1.253 5.665 225 HD11 LEU 29 HD11 LEU 29 16.581 3.320 5.329 226 HD12 LEU 29 HD12 LEU 29 15.676 2.319 4.194 227 HD13 LEU 29 HD13 LEU 29 17.380 2.668 3.899 228 HD21 LEU 29 HD21 LEU 29 15.226 1.502 6.580 229 HD22 LEU 29 HD22 LEU 29 16.705 1.838 7.481 230 HD23 LEU 29 HD23 LEU 29 16.237 0.171 7.145 231 HA PRO 30 HA PRO 30 19.980 -3.117 7.238 232 HB2 PRO 30 HB2 PRO 30 22.109 -1.661 8.163 233 HB3 PRO 30 HB3 PRO 30 22.179 -2.662 6.698 234 HG2 PRO 30 HG2 PRO 30 21.843 0.283 6.964 235 HG3 PRO 30 HG3 PRO 30 22.769 -0.647 5.774 236 HD2 PRO 30 HD2 PRO 30 20.323 0.450 5.261 237 HD3 PRO 30 HD3 PRO 30 20.948 -0.994 4.434 238 H ARG 31 H ARG 31 17.917 -2.477 8.355 239 HA ARG 31 HA ARG 31 18.475 -1.134 10.906 240 HB2 ARG 31 HB2 ARG 31 17.937 0.603 9.037 241 HB3 ARG 31 HB3 ARG 31 16.282 0.012 9.177 242 HG2 ARG 31 HG2 ARG 31 16.309 1.790 10.704 243 HG3 ARG 31 HG3 ARG 31 16.620 0.395 11.738 244 HD2 ARG 31 HD2 ARG 31 18.461 1.545 12.440 245 HD3 ARG 31 HD3 ARG 31 19.169 1.116 10.871 246 HE ARG 31 HE ARG 31 17.448 3.415 10.592 247 HH11 ARG 31 HH11 ARG 31 19.355 3.811 13.035 248 HH12 ARG 31 HH12 ARG 31 20.627 4.710 12.278 249 HH21 ARG 31 HH21 ARG 31 19.587 3.962 9.047 250 HH22 ARG 31 HH22 ARG 31 20.756 4.800 10.012 Start of MODEL 27 1 HA ASP 1 HA ASP 1 -16.310 11.860 8.796 2 HB2 ASP 1 HB2 ASP 1 -15.347 10.016 10.160 3 HB3 ASP 1 HB3 ASP 1 -15.365 11.535 11.050 4 H THR 2 H THR 2 -16.656 10.217 7.281 5 HA THR 2 HA THR 2 -18.532 8.024 7.729 6 HB THR 2 HB THR 2 -19.893 10.191 7.354 7 HG1 THR 2 HG1 THR 2 -20.287 8.053 5.532 8 HG21 THR 2 HG21 THR 2 -18.346 10.912 5.444 9 HG22 THR 2 HG22 THR 2 -20.079 11.053 5.144 10 HG23 THR 2 HG23 THR 2 -19.173 9.704 4.460 11 H GLU 3 H GLU 3 -18.457 6.485 5.979 12 HA GLU 3 HA GLU 3 -16.025 6.635 4.341 13 HB2 GLU 3 HB2 GLU 3 -17.979 4.665 5.273 14 HB3 GLU 3 HB3 GLU 3 -17.525 4.402 3.589 15 HG2 GLU 3 HG2 GLU 3 -15.969 3.181 4.994 16 HG3 GLU 3 HG3 GLU 3 -15.115 4.546 4.276 17 H ILE 4 H ILE 4 -16.341 8.237 2.751 18 HA ILE 4 HA ILE 4 -18.788 8.311 1.120 19 HB ILE 4 HB ILE 4 -16.112 9.749 0.971 20 HG12 ILE 4 HG12 ILE 4 -18.771 10.865 1.881 21 HG13 ILE 4 HG13 ILE 4 -17.682 10.055 3.009 22 HG21 ILE 4 HG21 ILE 4 -17.411 11.385 -0.438 23 HG22 ILE 4 HG22 ILE 4 -18.727 10.212 -0.493 24 HG23 ILE 4 HG23 ILE 4 -17.164 9.819 -1.210 25 HD11 ILE 4 HD11 ILE 4 -17.319 12.507 2.996 26 HD12 ILE 4 HD12 ILE 4 -16.943 12.432 1.275 27 HD13 ILE 4 HD13 ILE 4 -15.889 11.635 2.444 28 H ILE 5 H ILE 5 -15.363 7.384 0.637 29 HA ILE 5 HA ILE 5 -16.001 6.355 -2.081 30 HB ILE 5 HB ILE 5 -13.417 6.643 -0.505 31 HG12 ILE 5 HG12 ILE 5 -14.090 8.243 -2.944 32 HG13 ILE 5 HG13 ILE 5 -14.868 8.690 -1.427 33 HG21 ILE 5 HG21 ILE 5 -13.950 5.854 -3.384 34 HG22 ILE 5 HG22 ILE 5 -13.155 4.883 -2.145 35 HG23 ILE 5 HG23 ILE 5 -12.363 6.327 -2.777 36 HD11 ILE 5 HD11 ILE 5 -11.922 8.624 -2.071 37 HD12 ILE 5 HD12 ILE 5 -12.497 8.602 -0.404 38 HD13 ILE 5 HD13 ILE 5 -12.878 9.969 -1.450 39 H GLY 6 H GLY 6 -16.735 4.272 -2.143 40 HA2 GLY 6 HA2 GLY 6 -15.531 1.941 -1.628 41 HA3 GLY 6 HA3 GLY 6 -15.997 2.379 0.015 42 H GLY 7 H GLY 7 -17.007 0.060 -1.226 43 HA2 GLY 7 HA2 GLY 7 -19.903 0.757 -1.355 44 HA3 GLY 7 HA3 GLY 7 -19.214 -0.266 -2.615 45 H LEU 8 H LEU 8 -18.567 -2.415 -2.074 46 HA LEU 8 HA LEU 8 -19.811 -3.446 0.442 47 HB2 LEU 8 HB2 LEU 8 -19.125 -4.558 -2.277 48 HB3 LEU 8 HB3 LEU 8 -19.445 -5.646 -0.926 49 HG LEU 8 HG LEU 8 -21.439 -3.527 -1.079 50 HD11 LEU 8 HD11 LEU 8 -21.036 -3.562 -3.468 51 HD12 LEU 8 HD12 LEU 8 -22.532 -4.442 -3.154 52 HD13 LEU 8 HD13 LEU 8 -21.041 -5.325 -3.488 53 HD21 LEU 8 HD21 LEU 8 -22.951 -5.499 -1.024 54 HD22 LEU 8 HD22 LEU 8 -21.696 -5.605 0.210 55 HD23 LEU 8 HD23 LEU 8 -21.560 -6.555 -1.271 56 H THR 9 H THR 9 -17.275 -2.162 0.707 57 HA THR 9 HA THR 9 -15.188 -2.508 1.730 58 HB THR 9 HB THR 9 -16.183 -5.355 2.050 59 HG1 THR 9 HG1 THR 9 -16.729 -3.004 3.538 60 HG21 THR 9 HG21 THR 9 -14.213 -3.613 3.542 61 HG22 THR 9 HG22 THR 9 -13.901 -5.152 2.738 62 HG23 THR 9 HG23 THR 9 -14.867 -5.107 4.213 63 H ILE 10 H ILE 10 -13.621 -2.347 0.175 64 HA ILE 10 HA ILE 10 -13.286 -4.212 -2.014 65 HB ILE 10 HB ILE 10 -11.442 -2.850 -2.611 66 HG12 ILE 10 HG12 ILE 10 -10.237 -3.132 -0.415 67 HG13 ILE 10 HG13 ILE 10 -10.126 -1.512 -1.092 68 HG21 ILE 10 HG21 ILE 10 -13.746 -1.678 -2.310 69 HG22 ILE 10 HG22 ILE 10 -12.317 -0.687 -2.594 70 HG23 ILE 10 HG23 ILE 10 -12.966 -0.852 -0.963 71 HD11 ILE 10 HD11 ILE 10 -10.611 -1.183 1.210 72 HD12 ILE 10 HD12 ILE 10 -11.832 -2.454 1.218 73 HD13 ILE 10 HD13 ILE 10 -12.150 -0.931 0.387 74 HA PRO 11 HA PRO 11 -10.809 -7.298 -0.097 75 HB2 PRO 11 HB2 PRO 11 -9.176 -8.050 -2.156 76 HB3 PRO 11 HB3 PRO 11 -10.902 -8.456 -2.096 77 HG2 PRO 11 HG2 PRO 11 -9.506 -6.346 -3.650 78 HG3 PRO 11 HG3 PRO 11 -10.901 -7.340 -4.093 79 HD2 PRO 11 HD2 PRO 11 -11.057 -4.724 -3.262 80 HD3 PRO 11 HD3 PRO 11 -12.384 -5.898 -3.144 81 HA PRO 12 HA PRO 12 -7.092 -5.233 1.178 82 HB2 PRO 12 HB2 PRO 12 -5.963 -7.263 2.618 83 HB3 PRO 12 HB3 PRO 12 -7.353 -6.324 3.191 84 HG2 PRO 12 HG2 PRO 12 -7.265 -9.050 2.031 85 HG3 PRO 12 HG3 PRO 12 -8.320 -8.389 3.288 86 HD2 PRO 12 HD2 PRO 12 -9.047 -8.777 0.649 87 HD3 PRO 12 HD3 PRO 12 -9.857 -7.670 1.778 88 H VAL 13 H VAL 13 -6.721 -5.701 -1.376 89 HA VAL 13 HA VAL 13 -4.377 -7.530 -1.712 90 HB VAL 13 HB VAL 13 -6.394 -7.851 -3.141 91 HG11 VAL 13 HG11 VAL 13 -5.713 -5.084 -4.187 92 HG12 VAL 13 HG12 VAL 13 -7.136 -5.495 -3.230 93 HG13 VAL 13 HG13 VAL 13 -6.941 -6.160 -4.851 94 HG21 VAL 13 HG21 VAL 13 -4.171 -8.460 -4.007 95 HG22 VAL 13 HG22 VAL 13 -3.954 -6.822 -4.623 96 HG23 VAL 13 HG23 VAL 13 -5.202 -7.865 -5.307 97 H VAL 14 H VAL 14 -5.441 -4.164 -2.103 98 HA VAL 14 HA VAL 14 -2.954 -3.261 -3.345 99 HB VAL 14 HB VAL 14 -5.169 -1.729 -1.930 100 HG11 VAL 14 HG11 VAL 14 -3.123 -0.412 -2.338 101 HG12 VAL 14 HG12 VAL 14 -4.437 0.132 -3.381 102 HG13 VAL 14 HG13 VAL 14 -3.155 -0.885 -4.037 103 HG21 VAL 14 HG21 VAL 14 -5.920 -1.406 -4.388 104 HG22 VAL 14 HG22 VAL 14 -6.260 -2.964 -3.635 105 HG23 VAL 14 HG23 VAL 14 -4.898 -2.799 -4.743 106 H ALA 15 H ALA 15 -4.389 -3.033 -0.071 107 HA ALA 15 HA ALA 15 -2.276 -1.584 1.188 108 HB1 ALA 15 HB1 ALA 15 -4.079 -3.714 2.380 109 HB2 ALA 15 HB2 ALA 15 -4.612 -2.071 2.027 110 HB3 ALA 15 HB3 ALA 15 -3.350 -2.349 3.226 111 H LEU 16 H LEU 16 -2.769 -5.096 0.744 112 HA LEU 16 HA LEU 16 -0.531 -5.990 2.302 113 HB2 LEU 16 HB2 LEU 16 -2.511 -7.311 1.449 114 HB3 LEU 16 HB3 LEU 16 -1.779 -7.265 -0.155 115 HG LEU 16 HG LEU 16 0.249 -8.100 1.657 116 HD11 LEU 16 HD11 LEU 16 -2.110 -9.955 1.868 117 HD12 LEU 16 HD12 LEU 16 -1.909 -8.649 3.034 118 HD13 LEU 16 HD13 LEU 16 -0.661 -9.885 2.872 119 HD21 LEU 16 HD21 LEU 16 -1.332 -9.908 -0.175 120 HD22 LEU 16 HD22 LEU 16 0.394 -9.952 0.189 121 HD23 LEU 16 HD23 LEU 16 -0.261 -8.664 -0.821 122 H VAL 17 H VAL 17 -0.837 -5.233 -1.191 123 HA VAL 17 HA VAL 17 1.810 -5.995 -1.968 124 HB VAL 17 HB VAL 17 -0.211 -3.983 -3.004 125 HG11 VAL 17 HG11 VAL 17 2.510 -4.737 -4.076 126 HG12 VAL 17 HG12 VAL 17 1.811 -3.129 -3.884 127 HG13 VAL 17 HG13 VAL 17 1.221 -4.200 -5.155 128 HG21 VAL 17 HG21 VAL 17 -0.608 -6.528 -3.047 129 HG22 VAL 17 HG22 VAL 17 0.700 -6.597 -4.227 130 HG23 VAL 17 HG23 VAL 17 -0.762 -5.679 -4.585 131 H VAL 18 H VAL 18 0.532 -2.960 -0.608 132 HA VAL 18 HA VAL 18 2.933 -1.391 -0.957 133 HB VAL 18 HB VAL 18 0.621 -1.210 1.013 134 HG11 VAL 18 HG11 VAL 18 1.297 1.246 1.033 135 HG12 VAL 18 HG12 VAL 18 2.795 0.754 0.245 136 HG13 VAL 18 HG13 VAL 18 2.408 0.151 1.857 137 HG21 VAL 18 HG21 VAL 18 -0.589 -0.218 -0.640 138 HG22 VAL 18 HG22 VAL 18 0.554 -0.993 -1.736 139 HG23 VAL 18 HG23 VAL 18 0.804 0.682 -1.242 140 H MET 19 H MET 19 1.625 -3.244 1.818 141 HA MET 19 HA MET 19 3.785 -2.713 3.635 142 HB2 MET 19 HB2 MET 19 1.408 -4.408 3.401 143 HB3 MET 19 HB3 MET 19 2.716 -5.217 4.264 144 HG2 MET 19 HG2 MET 19 1.638 -4.062 5.989 145 HG3 MET 19 HG3 MET 19 2.927 -2.944 5.548 146 HE1 MET 19 HE1 MET 19 1.916 -0.827 6.449 147 HE2 MET 19 HE2 MET 19 0.700 -1.867 7.185 148 HE3 MET 19 HE3 MET 19 0.203 -0.406 6.335 149 H SER 20 H SER 20 3.246 -5.293 1.234 150 HA SER 20 HA SER 20 5.495 -6.938 1.923 151 HB2 SER 20 HB2 SER 20 3.792 -6.486 -0.526 152 HB3 SER 20 HB3 SER 20 5.139 -7.620 -0.568 153 HG SER 20 HG SER 20 2.703 -7.765 0.742 154 H ARG 21 H ARG 21 5.140 -4.201 -0.352 155 HA ARG 21 HA ARG 21 7.702 -4.339 -1.590 156 HB2 ARG 21 HB2 ARG 21 5.469 -2.794 -1.787 157 HB3 ARG 21 HB3 ARG 21 6.554 -1.667 -0.975 158 HG2 ARG 21 HG2 ARG 21 8.059 -1.620 -2.750 159 HG3 ARG 21 HG3 ARG 21 7.573 -3.209 -3.338 160 HD2 ARG 21 HD2 ARG 21 5.772 -0.763 -3.451 161 HD3 ARG 21 HD3 ARG 21 6.771 -1.320 -4.807 162 HE ARG 21 HE ARG 21 4.516 -2.860 -3.600 163 HH11 ARG 21 HH11 ARG 21 6.702 -4.618 -4.662 164 HH12 ARG 21 HH12 ARG 21 6.207 -4.866 -6.303 165 HH21 ARG 21 HH21 ARG 21 3.960 -2.211 -6.298 166 HH22 ARG 21 HH22 ARG 21 4.645 -3.498 -7.232 167 H PHE 22 H PHE 22 6.667 -2.530 1.331 168 HA PHE 22 HA PHE 22 9.309 -1.486 1.915 169 HB2 PHE 22 HB2 PHE 22 6.889 -0.761 2.647 170 HB3 PHE 22 HB3 PHE 22 7.133 -1.925 3.951 171 HD1 PHE 22 HD1 PHE 22 8.883 -1.585 5.642 172 HD2 PHE 22 HD2 PHE 22 8.225 1.277 2.506 173 HE1 PHE 22 HE2 PHE 22 10.257 0.073 6.868 174 HE2 PHE 22 HE1 PHE 22 9.600 2.936 3.733 175 HZ PHE 22 HZ PHE 22 10.616 2.334 5.914 176 H GLY 23 H GLY 23 7.454 -4.319 3.049 177 HA2 GLY 23 HA2 GLY 23 9.309 -5.171 5.057 178 HA3 GLY 23 HA3 GLY 23 8.134 -6.214 4.255 179 H PHE 24 H PHE 24 8.991 -6.051 1.602 180 HA PHE 24 HA PHE 24 11.187 -7.914 1.549 181 HB2 PHE 24 HB2 PHE 24 9.198 -7.187 -0.131 182 HB3 PHE 24 HB3 PHE 24 10.520 -6.272 -0.848 183 HD1 PHE 24 HD1 PHE 24 12.695 -7.509 -1.402 184 HD2 PHE 24 HD2 PHE 24 9.011 -9.522 -0.487 185 HE1 PHE 24 HE1 PHE 24 13.561 -9.577 -2.461 186 HE2 PHE 24 HE2 PHE 24 9.878 -11.589 -1.546 187 HZ PHE 24 HZ PHE 24 12.153 -11.617 -2.533 188 H PHE 25 H PHE 25 10.978 -4.451 0.639 189 HA PHE 25 HA PHE 25 13.727 -4.114 -0.081 190 HB2 PHE 25 HB2 PHE 25 11.393 -2.424 0.671 191 HB3 PHE 25 HB3 PHE 25 12.976 -1.657 0.773 192 HD1 PHE 25 HD1 PHE 25 10.840 -3.703 -1.529 193 HD2 PHE 25 HD2 PHE 25 14.029 -0.848 -1.165 194 HE1 PHE 25 HE1 PHE 25 10.874 -3.430 -3.990 195 HE2 PHE 25 HE2 PHE 25 14.064 -0.576 -3.630 196 HZ PHE 25 HZ PHE 25 12.486 -1.866 -5.043 197 H ALA 26 H ALA 26 12.080 -3.874 3.072 198 HA ALA 26 HA ALA 26 14.341 -2.805 4.527 199 HB1 ALA 26 HB1 ALA 26 12.963 -3.590 6.486 200 HB2 ALA 26 HB2 ALA 26 11.875 -4.377 5.343 201 HB3 ALA 26 HB3 ALA 26 12.049 -2.622 5.330 202 H HIS 27 H HIS 27 13.098 -6.129 4.029 203 HA HIS 27 HA HIS 27 15.561 -7.202 5.349 204 HB2 HIS 27 HB2 HIS 27 12.977 -7.782 5.794 205 HB3 HIS 27 HB3 HIS 27 13.268 -8.913 4.473 206 HD1 HIS 27 HD1 HIS 27 13.363 -8.875 7.996 207 HD2 HIS 27 HD2 HIS 27 15.994 -10.322 5.104 208 HE1 HIS 27 HE1 HIS 27 14.845 -10.569 9.158 209 H LEU 28 H LEU 28 15.737 -6.081 2.670 210 HA LEU 28 HA LEU 28 15.708 -8.300 0.740 211 HB2 LEU 28 HB2 LEU 28 15.454 -5.596 0.592 212 HB3 LEU 28 HB3 LEU 28 17.163 -5.764 0.191 213 HG LEU 28 HG LEU 28 15.237 -7.617 -1.145 214 HD11 LEU 28 HD11 LEU 28 14.992 -5.810 -2.952 215 HD12 LEU 28 HD12 LEU 28 15.507 -4.660 -1.718 216 HD13 LEU 28 HD13 LEU 28 14.029 -5.595 -1.490 217 HD21 LEU 28 HD21 LEU 28 16.847 -7.451 -2.946 218 HD22 LEU 28 HD22 LEU 28 17.746 -7.669 -1.446 219 HD23 LEU 28 HD23 LEU 28 17.633 -6.070 -2.181 220 H LEU 29 H LEU 29 18.120 -6.536 2.664 221 HA LEU 29 HA LEU 29 20.489 -7.553 1.433 222 HB2 LEU 29 HB2 LEU 29 21.531 -6.850 3.571 223 HB3 LEU 29 HB3 LEU 29 20.380 -5.645 2.997 224 HG LEU 29 HG LEU 29 18.961 -7.542 4.617 225 HD11 LEU 29 HD11 LEU 29 20.102 -7.332 6.735 226 HD12 LEU 29 HD12 LEU 29 21.320 -6.270 6.030 227 HD13 LEU 29 HD13 LEU 29 21.256 -7.970 5.565 228 HD21 LEU 29 HD21 LEU 29 18.417 -5.130 4.163 229 HD22 LEU 29 HD22 LEU 29 19.762 -4.676 5.209 230 HD23 LEU 29 HD23 LEU 29 18.379 -5.544 5.877 231 HA PRO 30 HA PRO 30 20.540 -11.743 2.803 232 HB2 PRO 30 HB2 PRO 30 23.235 -12.221 2.774 233 HB3 PRO 30 HB3 PRO 30 22.262 -12.084 1.297 234 HG2 PRO 30 HG2 PRO 30 24.058 -10.087 2.572 235 HG3 PRO 30 HG3 PRO 30 23.778 -10.424 0.856 236 HD2 PRO 30 HD2 PRO 30 22.679 -8.307 2.202 237 HD3 PRO 30 HD3 PRO 30 21.963 -9.045 0.753 238 H ARG 31 H ARG 31 19.960 -11.983 4.957 239 HA ARG 31 HA ARG 31 22.111 -11.733 7.004 240 HB2 ARG 31 HB2 ARG 31 20.542 -9.644 6.663 241 HB3 ARG 31 HB3 ARG 31 19.368 -10.622 7.544 242 HG2 ARG 31 HG2 ARG 31 20.361 -9.754 9.396 243 HG3 ARG 31 HG3 ARG 31 21.608 -10.961 9.084 244 HD2 ARG 31 HD2 ARG 31 23.133 -9.369 8.533 245 HD3 ARG 31 HD3 ARG 31 21.979 -8.530 7.479 246 HE ARG 31 HE ARG 31 22.347 -8.033 10.373 247 HH11 ARG 31 HH11 ARG 31 22.343 -5.756 8.530 248 HH12 ARG 31 HH12 ARG 31 20.724 -5.151 8.636 249 HH21 ARG 31 HH21 ARG 31 19.457 -8.054 10.068 250 HH22 ARG 31 HH22 ARG 31 19.084 -6.458 9.510 Start of MODEL 28 1 HA ASP 1 HA ASP 1 -6.322 2.564 -11.661 2 HB2 ASP 1 HB2 ASP 1 -8.318 1.203 -13.316 3 HB3 ASP 1 HB3 ASP 1 -9.010 1.838 -11.823 4 H THR 2 H THR 2 -7.681 2.720 -9.618 5 HA THR 2 HA THR 2 -7.151 0.385 -7.888 6 HB THR 2 HB THR 2 -6.674 2.835 -7.345 7 HG1 THR 2 HG1 THR 2 -6.721 1.361 -5.684 8 HG21 THR 2 HG21 THR 2 -8.472 4.266 -6.690 9 HG22 THR 2 HG22 THR 2 -9.642 2.949 -6.771 10 HG23 THR 2 HG23 THR 2 -8.934 3.595 -8.253 11 H GLU 3 H GLU 3 -9.023 0.028 -6.171 12 HA GLU 3 HA GLU 3 -11.414 -0.790 -7.698 13 HB2 GLU 3 HB2 GLU 3 -11.967 -1.888 -5.490 14 HB3 GLU 3 HB3 GLU 3 -10.403 -2.361 -6.148 15 HG2 GLU 3 HG2 GLU 3 -10.216 0.017 -4.446 16 HG3 GLU 3 HG3 GLU 3 -10.862 -1.379 -3.583 17 H ILE 4 H ILE 4 -12.128 1.493 -8.096 18 HA ILE 4 HA ILE 4 -12.958 3.153 -5.838 19 HB ILE 4 HB ILE 4 -12.168 3.932 -8.109 20 HG12 ILE 4 HG12 ILE 4 -14.956 4.934 -7.507 21 HG13 ILE 4 HG13 ILE 4 -13.594 5.278 -6.441 22 HG21 ILE 4 HG21 ILE 4 -14.966 3.153 -8.988 23 HG22 ILE 4 HG22 ILE 4 -13.517 2.232 -9.395 24 HG23 ILE 4 HG23 ILE 4 -13.704 3.884 -9.981 25 HD11 ILE 4 HD11 ILE 4 -12.402 6.408 -8.209 26 HD12 ILE 4 HD12 ILE 4 -14.037 7.067 -8.172 27 HD13 ILE 4 HD13 ILE 4 -13.588 5.892 -9.408 28 H ILE 5 H ILE 5 -14.522 0.715 -7.853 29 HA ILE 5 HA ILE 5 -17.240 1.495 -7.051 30 HB ILE 5 HB ILE 5 -17.810 -0.630 -8.299 31 HG12 ILE 5 HG12 ILE 5 -15.076 -0.848 -9.393 32 HG13 ILE 5 HG13 ILE 5 -15.221 -1.375 -7.717 33 HG21 ILE 5 HG21 ILE 5 -15.905 1.182 -9.804 34 HG22 ILE 5 HG22 ILE 5 -17.555 1.637 -9.379 35 HG23 ILE 5 HG23 ILE 5 -17.267 0.277 -10.465 36 HD11 ILE 5 HD11 ILE 5 -17.069 -2.307 -9.930 37 HD12 ILE 5 HD12 ILE 5 -16.973 -2.938 -8.287 38 HD13 ILE 5 HD13 ILE 5 -15.639 -3.199 -9.410 39 H GLY 6 H GLY 6 -17.086 1.354 -4.714 40 HA2 GLY 6 HA2 GLY 6 -18.132 -0.794 -3.411 41 HA3 GLY 6 HA3 GLY 6 -16.427 -1.236 -3.483 42 H GLY 7 H GLY 7 -17.623 -0.844 -1.008 43 HA2 GLY 7 HA2 GLY 7 -16.522 1.802 -0.138 44 HA3 GLY 7 HA3 GLY 7 -17.864 0.994 0.674 45 H LEU 8 H LEU 8 -17.418 -0.654 2.152 46 HA LEU 8 HA LEU 8 -14.515 -1.274 2.625 47 HB2 LEU 8 HB2 LEU 8 -16.771 -0.461 4.450 48 HB3 LEU 8 HB3 LEU 8 -15.431 -1.415 5.087 49 HG LEU 8 HG LEU 8 -14.799 1.001 3.433 50 HD11 LEU 8 HD11 LEU 8 -14.832 2.341 5.580 51 HD12 LEU 8 HD12 LEU 8 -15.743 1.020 6.311 52 HD13 LEU 8 HD13 LEU 8 -16.426 1.918 4.955 53 HD21 LEU 8 HD21 LEU 8 -12.812 1.020 4.788 54 HD22 LEU 8 HD22 LEU 8 -13.093 -0.661 4.336 55 HD23 LEU 8 HD23 LEU 8 -13.522 -0.099 5.952 56 H THR 9 H THR 9 -16.275 -2.883 1.015 57 HA THR 9 HA THR 9 -16.657 -5.287 2.778 58 HB THR 9 HB THR 9 -18.160 -4.848 0.210 59 HG1 THR 9 HG1 THR 9 -19.532 -3.468 1.139 60 HG21 THR 9 HG21 THR 9 -18.508 -6.956 1.299 61 HG22 THR 9 HG22 THR 9 -19.944 -5.980 1.611 62 HG23 THR 9 HG23 THR 9 -18.722 -6.177 2.868 63 H ILE 10 H ILE 10 -14.174 -4.644 1.423 64 HA ILE 10 HA ILE 10 -14.016 -6.979 -0.433 65 HB ILE 10 HB ILE 10 -12.585 -5.498 -1.927 66 HG12 ILE 10 HG12 ILE 10 -13.876 -3.070 -0.831 67 HG13 ILE 10 HG13 ILE 10 -12.618 -3.761 0.192 68 HG21 ILE 10 HG21 ILE 10 -15.011 -6.033 -2.350 69 HG22 ILE 10 HG22 ILE 10 -14.479 -4.501 -3.044 70 HG23 ILE 10 HG23 ILE 10 -15.426 -4.514 -1.555 71 HD11 ILE 10 HD11 ILE 10 -12.122 -2.061 -1.883 72 HD12 ILE 10 HD12 ILE 10 -11.945 -3.622 -2.684 73 HD13 ILE 10 HD13 ILE 10 -10.957 -3.237 -1.275 74 HA PRO 11 HA PRO 11 -10.257 -7.737 1.730 75 HB2 PRO 11 HB2 PRO 11 -8.769 -9.001 -0.188 76 HB3 PRO 11 HB3 PRO 11 -10.150 -9.766 0.623 77 HG2 PRO 11 HG2 PRO 11 -9.985 -8.534 -2.076 78 HG3 PRO 11 HG3 PRO 11 -10.883 -9.961 -1.537 79 HD2 PRO 11 HD2 PRO 11 -12.011 -7.496 -1.957 80 HD3 PRO 11 HD3 PRO 11 -12.681 -8.729 -0.866 81 HA PRO 12 HA PRO 12 -7.646 -4.330 0.573 82 HB2 PRO 12 HB2 PRO 12 -5.696 -4.683 2.451 83 HB3 PRO 12 HB3 PRO 12 -7.302 -4.038 2.832 84 HG2 PRO 12 HG2 PRO 12 -6.195 -6.743 3.301 85 HG3 PRO 12 HG3 PRO 12 -7.351 -5.812 4.262 86 HD2 PRO 12 HD2 PRO 12 -8.000 -7.883 2.537 87 HD3 PRO 12 HD3 PRO 12 -9.130 -6.647 3.130 88 H VAL 13 H VAL 13 -7.258 -5.932 -1.403 89 HA VAL 13 HA VAL 13 -4.809 -7.476 -1.469 90 HB VAL 13 HB VAL 13 -6.810 -7.803 -2.928 91 HG11 VAL 13 HG11 VAL 13 -7.336 -6.308 -4.709 92 HG12 VAL 13 HG12 VAL 13 -5.851 -5.388 -4.475 93 HG13 VAL 13 HG13 VAL 13 -7.145 -5.290 -3.282 94 HG21 VAL 13 HG21 VAL 13 -4.277 -7.162 -4.470 95 HG22 VAL 13 HG22 VAL 13 -5.563 -8.255 -4.983 96 HG23 VAL 13 HG23 VAL 13 -4.567 -8.660 -3.586 97 H VAL 14 H VAL 14 -5.616 -4.145 -2.518 98 HA VAL 14 HA VAL 14 -2.992 -3.596 -3.629 99 HB VAL 14 HB VAL 14 -3.814 -1.250 -3.600 100 HG11 VAL 14 HG11 VAL 14 -5.590 -1.570 -5.143 101 HG12 VAL 14 HG12 VAL 14 -6.093 -3.076 -4.375 102 HG13 VAL 14 HG13 VAL 14 -4.588 -3.013 -5.293 103 HG21 VAL 14 HG21 VAL 14 -5.871 -2.457 -1.764 104 HG22 VAL 14 HG22 VAL 14 -6.311 -1.085 -2.777 105 HG23 VAL 14 HG23 VAL 14 -4.999 -0.933 -1.611 106 H ALA 15 H ALA 15 -4.467 -3.171 -0.426 107 HA ALA 15 HA ALA 15 -2.353 -1.614 0.760 108 HB1 ALA 15 HB1 ALA 15 -4.642 -1.834 1.659 109 HB2 ALA 15 HB2 ALA 15 -3.461 -2.362 2.859 110 HB3 ALA 15 HB3 ALA 15 -4.373 -3.556 1.936 111 H LEU 16 H LEU 16 -2.959 -5.121 0.503 112 HA LEU 16 HA LEU 16 -0.756 -5.978 2.156 113 HB2 LEU 16 HB2 LEU 16 -2.877 -7.201 1.254 114 HB3 LEU 16 HB3 LEU 16 -1.905 -7.502 -0.186 115 HG LEU 16 HG LEU 16 -0.107 -8.362 1.502 116 HD11 LEU 16 HD11 LEU 16 -1.076 -7.674 3.578 117 HD12 LEU 16 HD12 LEU 16 -1.282 -9.424 3.510 118 HD13 LEU 16 HD13 LEU 16 -2.643 -8.362 3.154 119 HD21 LEU 16 HD21 LEU 16 -1.150 -10.617 1.462 120 HD22 LEU 16 HD22 LEU 16 -1.296 -9.804 -0.096 121 HD23 LEU 16 HD23 LEU 16 -2.683 -9.884 0.989 122 H VAL 17 H VAL 17 -1.055 -5.262 -1.323 123 HA VAL 17 HA VAL 17 1.536 -6.256 -2.112 124 HB VAL 17 HB VAL 17 -0.447 -4.254 -3.227 125 HG11 VAL 17 HG11 VAL 17 1.485 -3.448 -4.254 126 HG12 VAL 17 HG12 VAL 17 1.004 -4.711 -5.387 127 HG13 VAL 17 HG13 VAL 17 2.286 -5.020 -4.215 128 HG21 VAL 17 HG21 VAL 17 -1.041 -6.678 -3.197 129 HG22 VAL 17 HG22 VAL 17 0.411 -7.022 -4.136 130 HG23 VAL 17 HG23 VAL 17 -0.883 -6.049 -4.836 131 H VAL 18 H VAL 18 0.410 -3.138 -0.833 132 HA VAL 18 HA VAL 18 2.929 -1.738 -1.306 133 HB VAL 18 HB VAL 18 0.462 -1.224 0.391 134 HG11 VAL 18 HG11 VAL 18 2.095 0.055 1.502 135 HG12 VAL 18 HG12 VAL 18 1.439 1.193 0.326 136 HG13 VAL 18 HG13 VAL 18 2.979 0.392 0.014 137 HG21 VAL 18 HG21 VAL 18 1.409 0.232 -2.086 138 HG22 VAL 18 HG22 VAL 18 -0.198 0.249 -1.361 139 HG23 VAL 18 HG23 VAL 18 0.382 -1.199 -2.182 140 H MET 19 H MET 19 1.439 -3.474 1.422 141 HA MET 19 HA MET 19 3.414 -2.769 3.405 142 HB2 MET 19 HB2 MET 19 1.300 -4.885 3.042 143 HB3 MET 19 HB3 MET 19 2.387 -4.957 4.429 144 HG2 MET 19 HG2 MET 19 1.673 -2.815 5.219 145 HG3 MET 19 HG3 MET 19 0.833 -2.462 3.710 146 HE1 MET 19 HE1 MET 19 -2.499 -2.831 5.150 147 HE2 MET 19 HE2 MET 19 -1.464 -2.217 3.864 148 HE3 MET 19 HE3 MET 19 -1.143 -1.763 5.535 149 H SER 20 H SER 20 3.054 -5.636 1.275 150 HA SER 20 HA SER 20 5.260 -7.148 2.233 151 HB2 SER 20 HB2 SER 20 5.179 -8.061 -0.170 152 HB3 SER 20 HB3 SER 20 3.681 -8.143 0.749 153 HG SER 20 HG SER 20 2.810 -6.779 -0.596 154 H ARG 21 H ARG 21 5.157 -4.561 -0.226 155 HA ARG 21 HA ARG 21 7.850 -4.738 -1.151 156 HB2 ARG 21 HB2 ARG 21 5.631 -2.767 -1.081 157 HB3 ARG 21 HB3 ARG 21 7.240 -2.083 -1.321 158 HG2 ARG 21 HG2 ARG 21 7.627 -3.609 -3.210 159 HG3 ARG 21 HG3 ARG 21 6.035 -4.331 -2.964 160 HD2 ARG 21 HD2 ARG 21 6.369 -1.358 -3.455 161 HD3 ARG 21 HD3 ARG 21 6.169 -2.518 -4.783 162 HE ARG 21 HE ARG 21 4.187 -2.966 -2.721 163 HH11 ARG 21 HH11 ARG 21 3.720 -3.052 -5.706 164 HH12 ARG 21 HH12 ARG 21 2.688 -1.680 -5.939 165 HH21 ARG 21 HH21 ARG 21 3.443 -0.264 -2.855 166 HH22 ARG 21 HH22 ARG 21 2.531 -0.093 -4.317 167 H PHE 22 H PHE 22 6.447 -2.898 1.584 168 HA PHE 22 HA PHE 22 8.815 -1.520 2.393 169 HB2 PHE 22 HB2 PHE 22 6.403 -1.174 3.115 170 HB3 PHE 22 HB3 PHE 22 6.581 -2.592 4.148 171 HD1 PHE 22 HD1 PHE 22 7.834 0.848 3.509 172 HD2 PHE 22 HD2 PHE 22 7.800 -2.493 6.210 173 HE1 PHE 22 HE2 PHE 22 8.891 2.251 5.259 174 HE2 PHE 22 HE1 PHE 22 8.854 -1.087 7.960 175 HZ PHE 22 HZ PHE 22 9.401 1.285 7.485 176 H GLY 23 H GLY 23 7.471 -4.659 3.509 177 HA2 GLY 23 HA2 GLY 23 9.618 -5.260 5.318 178 HA3 GLY 23 HA3 GLY 23 8.499 -6.444 4.639 179 H PHE 24 H PHE 24 9.079 -6.016 1.880 180 HA PHE 24 HA PHE 24 11.340 -7.726 1.483 181 HB2 PHE 24 HB2 PHE 24 9.331 -6.286 -0.059 182 HB3 PHE 24 HB3 PHE 24 10.893 -6.253 -0.874 183 HD1 PHE 24 HD1 PHE 24 8.274 -8.466 0.540 184 HD2 PHE 24 HD2 PHE 24 11.878 -8.247 -1.788 185 HE1 PHE 24 HE1 PHE 24 7.953 -10.817 -0.180 186 HE2 PHE 24 HE2 PHE 24 11.557 -10.598 -2.507 187 HZ PHE 24 HZ PHE 24 9.594 -11.883 -1.703 188 H PHE 25 H PHE 25 10.980 -4.179 1.129 189 HA PHE 25 HA PHE 25 13.650 -3.633 0.237 190 HB2 PHE 25 HB2 PHE 25 11.452 -2.210 0.349 191 HB3 PHE 25 HB3 PHE 25 12.015 -1.779 1.963 192 HD1 PHE 25 HD1 PHE 25 12.704 -1.538 -1.650 193 HD2 PHE 25 HD2 PHE 25 14.034 -0.445 2.285 194 HE1 PHE 25 HE1 PHE 25 14.255 0.127 -2.636 195 HE2 PHE 25 HE2 PHE 25 15.585 1.220 1.299 196 HZ PHE 25 HZ PHE 25 15.695 1.506 -1.162 197 H ALA 26 H ALA 26 12.271 -4.016 3.492 198 HA ALA 26 HA ALA 26 14.366 -2.949 5.072 199 HB1 ALA 26 HB1 ALA 26 13.354 -4.234 6.824 200 HB2 ALA 26 HB2 ALA 26 12.762 -5.444 5.686 201 HB3 ALA 26 HB3 ALA 26 12.048 -3.831 5.710 202 H HIS 27 H HIS 27 14.052 -6.209 3.628 203 HA HIS 27 HA HIS 27 16.830 -6.834 4.570 204 HB2 HIS 27 HB2 HIS 27 14.519 -8.211 4.903 205 HB3 HIS 27 HB3 HIS 27 15.057 -8.905 3.373 206 HD1 HIS 27 HD1 HIS 27 16.103 -8.524 6.980 207 HD2 HIS 27 HD2 HIS 27 17.343 -10.556 3.557 208 HE1 HIS 27 HE1 HIS 27 17.881 -10.165 7.725 209 H LEU 28 H LEU 28 15.811 -5.286 2.034 210 HA LEU 28 HA LEU 28 17.725 -6.547 0.172 211 HB2 LEU 28 HB2 LEU 28 15.114 -7.373 0.142 212 HB3 LEU 28 HB3 LEU 28 15.062 -6.055 -1.028 213 HG LEU 28 HG LEU 28 17.405 -7.800 -1.345 214 HD11 LEU 28 HD11 LEU 28 15.924 -9.572 -0.682 215 HD12 LEU 28 HD12 LEU 28 15.997 -9.606 -2.444 216 HD13 LEU 28 HD13 LEU 28 14.599 -8.901 -1.634 217 HD21 LEU 28 HD21 LEU 28 16.871 -6.171 -3.030 218 HD22 LEU 28 HD22 LEU 28 15.198 -6.721 -3.120 219 HD23 LEU 28 HD23 LEU 28 16.498 -7.748 -3.725 220 H LEU 29 H LEU 29 17.809 -4.016 1.454 221 HA LEU 29 HA LEU 29 16.847 -2.000 -0.488 222 HB2 LEU 29 HB2 LEU 29 17.718 -0.419 1.211 223 HB3 LEU 29 HB3 LEU 29 16.669 -1.627 1.944 224 HG LEU 29 HG LEU 29 19.290 -2.717 1.975 225 HD11 LEU 29 HD11 LEU 29 20.427 -0.948 3.368 226 HD12 LEU 29 HD12 LEU 29 19.159 0.174 2.874 227 HD13 LEU 29 HD13 LEU 29 20.243 -0.519 1.668 228 HD21 LEU 29 HD21 LEU 29 18.204 -1.442 4.430 229 HD22 LEU 29 HD22 LEU 29 18.740 -3.102 4.166 230 HD23 LEU 29 HD23 LEU 29 17.140 -2.597 3.626 231 HA PRO 30 HA PRO 30 20.697 -1.951 -2.662 232 HB2 PRO 30 HB2 PRO 30 20.388 0.431 -3.970 233 HB3 PRO 30 HB3 PRO 30 19.520 -1.045 -4.433 234 HG2 PRO 30 HG2 PRO 30 18.565 1.305 -2.889 235 HG3 PRO 30 HG3 PRO 30 17.706 0.301 -4.066 236 HD2 PRO 30 HD2 PRO 30 17.410 0.091 -1.346 237 HD3 PRO 30 HD3 PRO 30 17.082 -1.225 -2.494 238 H ARG 31 H ARG 31 22.720 -0.680 -2.743 239 HA ARG 31 HA ARG 31 22.976 1.687 -1.003 240 HB2 ARG 31 HB2 ARG 31 22.961 -0.329 0.498 241 HB3 ARG 31 HB3 ARG 31 24.386 -0.923 -0.353 242 HG2 ARG 31 HG2 ARG 31 24.956 0.285 1.761 243 HG3 ARG 31 HG3 ARG 31 25.671 1.029 0.332 244 HD2 ARG 31 HD2 ARG 31 24.630 2.700 1.916 245 HD3 ARG 31 HD3 ARG 31 23.910 2.741 0.296 246 HE ARG 31 HE ARG 31 21.936 1.717 1.178 247 HH11 ARG 31 HH11 ARG 31 22.229 3.407 3.552 248 HH12 ARG 31 HH12 ARG 31 22.258 2.268 4.857 249 HH21 ARG 31 HH21 ARG 31 22.970 -0.452 2.813 250 HH22 ARG 31 HH22 ARG 31 22.680 0.074 4.437 Start of MODEL 29 1 HA ASP 1 HA ASP 1 -13.559 -7.307 -10.997 2 HB2 ASP 1 HB2 ASP 1 -13.513 -8.778 -13.062 3 HB3 ASP 1 HB3 ASP 1 -14.898 -9.643 -12.397 4 H THR 2 H THR 2 -15.197 -6.495 -9.732 5 HA THR 2 HA THR 2 -17.125 -8.423 -8.474 6 HB THR 2 HB THR 2 -15.868 -5.999 -7.152 7 HG1 THR 2 HG1 THR 2 -14.269 -7.225 -6.554 8 HG21 THR 2 HG21 THR 2 -16.673 -7.110 -5.087 9 HG22 THR 2 HG22 THR 2 -17.392 -8.385 -6.070 10 HG23 THR 2 HG23 THR 2 -17.998 -6.733 -6.188 11 H GLU 3 H GLU 3 -19.235 -7.535 -8.094 12 HA GLU 3 HA GLU 3 -19.858 -5.126 -9.740 13 HB2 GLU 3 HB2 GLU 3 -21.525 -7.370 -8.550 14 HB3 GLU 3 HB3 GLU 3 -22.191 -6.052 -9.513 15 HG2 GLU 3 HG2 GLU 3 -20.693 -6.703 -11.393 16 HG3 GLU 3 HG3 GLU 3 -20.118 -8.067 -10.433 17 H ILE 4 H ILE 4 -18.705 -4.089 -7.628 18 HA ILE 4 HA ILE 4 -20.911 -2.967 -6.011 19 HB ILE 4 HB ILE 4 -20.102 -5.126 -4.940 20 HG12 ILE 4 HG12 ILE 4 -19.776 -4.045 -2.657 21 HG13 ILE 4 HG13 ILE 4 -19.800 -2.488 -3.482 22 HG21 ILE 4 HG21 ILE 4 -17.934 -5.324 -4.075 23 HG22 ILE 4 HG22 ILE 4 -17.648 -3.585 -4.126 24 HG23 ILE 4 HG23 ILE 4 -17.648 -4.523 -5.620 25 HD11 ILE 4 HD11 ILE 4 -22.012 -4.490 -3.909 26 HD12 ILE 4 HD12 ILE 4 -22.040 -2.746 -4.169 27 HD13 ILE 4 HD13 ILE 4 -22.039 -3.393 -2.529 28 H ILE 5 H ILE 5 -20.333 -0.944 -5.067 29 HA ILE 5 HA ILE 5 -17.568 0.069 -5.592 30 HB ILE 5 HB ILE 5 -18.712 2.203 -6.387 31 HG12 ILE 5 HG12 ILE 5 -20.985 1.174 -5.384 32 HG13 ILE 5 HG13 ILE 5 -20.987 2.322 -6.718 33 HG21 ILE 5 HG21 ILE 5 -19.101 -0.339 -7.990 34 HG22 ILE 5 HG22 ILE 5 -17.663 0.680 -7.969 35 HG23 ILE 5 HG23 ILE 5 -19.165 1.292 -8.659 36 HD11 ILE 5 HD11 ILE 5 -21.469 0.687 -8.304 37 HD12 ILE 5 HD12 ILE 5 -22.347 0.065 -6.908 38 HD13 ILE 5 HD13 ILE 5 -20.775 -0.610 -7.332 39 H GLY 6 H GLY 6 -17.101 2.054 -4.306 40 HA2 GLY 6 HA2 GLY 6 -18.924 2.894 -2.205 41 HA3 GLY 6 HA3 GLY 6 -17.634 1.863 -1.586 42 H GLY 7 H GLY 7 -18.089 4.727 -1.046 43 HA2 GLY 7 HA2 GLY 7 -16.019 6.196 -2.505 44 HA3 GLY 7 HA3 GLY 7 -16.948 6.801 -1.132 45 H LEU 8 H LEU 8 -16.383 4.880 0.803 46 HA LEU 8 HA LEU 8 -13.418 5.195 1.162 47 HB2 LEU 8 HB2 LEU 8 -15.803 5.754 2.799 48 HB3 LEU 8 HB3 LEU 8 -14.562 4.854 3.666 49 HG LEU 8 HG LEU 8 -14.236 7.288 3.921 50 HD11 LEU 8 HD11 LEU 8 -12.304 5.555 3.648 51 HD12 LEU 8 HD12 LEU 8 -11.917 7.274 3.569 52 HD13 LEU 8 HD13 LEU 8 -12.051 6.331 2.085 53 HD21 LEU 8 HD21 LEU 8 -13.536 7.471 1.003 54 HD22 LEU 8 HD22 LEU 8 -13.988 8.757 2.122 55 HD23 LEU 8 HD23 LEU 8 -15.217 7.652 1.506 56 H THR 9 H THR 9 -14.875 2.891 -0.107 57 HA THR 9 HA THR 9 -14.281 0.745 1.906 58 HB THR 9 HB THR 9 -15.977 0.502 -0.589 59 HG1 THR 9 HG1 THR 9 -17.667 1.284 0.495 60 HG21 THR 9 HG21 THR 9 -16.984 -1.347 0.600 61 HG22 THR 9 HG22 THR 9 -16.118 -0.928 2.078 62 HG23 THR 9 HG23 THR 9 -15.232 -1.542 0.681 63 H ILE 10 H ILE 10 -11.979 1.405 0.938 64 HA ILE 10 HA ILE 10 -11.338 0.409 -1.725 65 HB ILE 10 HB ILE 10 -9.015 0.879 -0.993 66 HG12 ILE 10 HG12 ILE 10 -9.472 2.061 1.554 67 HG13 ILE 10 HG13 ILE 10 -10.172 0.443 1.611 68 HG21 ILE 10 HG21 ILE 10 -10.533 2.725 -1.724 69 HG22 ILE 10 HG22 ILE 10 -9.292 3.259 -0.591 70 HG23 ILE 10 HG23 ILE 10 -10.946 3.010 -0.034 71 HD11 ILE 10 HD11 ILE 10 -7.387 0.997 0.560 72 HD12 ILE 10 HD12 ILE 10 -8.096 -0.569 0.950 73 HD13 ILE 10 HD13 ILE 10 -7.715 0.571 2.240 74 HA PRO 11 HA PRO 11 -10.677 -3.827 -0.720 75 HB2 PRO 11 HB2 PRO 11 -8.828 -4.500 -2.617 76 HB3 PRO 11 HB3 PRO 11 -10.535 -4.206 -2.997 77 HG2 PRO 11 HG2 PRO 11 -8.179 -2.442 -3.382 78 HG3 PRO 11 HG3 PRO 11 -9.623 -2.636 -4.386 79 HD2 PRO 11 HD2 PRO 11 -9.198 -0.544 -2.651 80 HD3 PRO 11 HD3 PRO 11 -10.797 -1.081 -3.211 81 HA PRO 12 HA PRO 12 -7.055 -3.827 1.852 82 HB2 PRO 12 HB2 PRO 12 -7.060 -6.468 2.560 83 HB3 PRO 12 HB3 PRO 12 -8.204 -5.287 3.227 84 HG2 PRO 12 HG2 PRO 12 -8.611 -7.325 1.106 85 HG3 PRO 12 HG3 PRO 12 -9.724 -6.761 2.361 86 HD2 PRO 12 HD2 PRO 12 -9.823 -5.967 -0.267 87 HD3 PRO 12 HD3 PRO 12 -10.470 -5.022 1.092 88 H VAL 13 H VAL 13 -7.385 -5.854 -0.979 89 HA VAL 13 HA VAL 13 -4.891 -7.215 -1.031 90 HB VAL 13 HB VAL 13 -6.606 -6.052 -3.256 91 HG11 VAL 13 HG11 VAL 13 -4.648 -6.584 -4.392 92 HG12 VAL 13 HG12 VAL 13 -5.482 -8.137 -4.441 93 HG13 VAL 13 HG13 VAL 13 -4.209 -7.857 -3.253 94 HG21 VAL 13 HG21 VAL 13 -6.977 -8.781 -3.197 95 HG22 VAL 13 HG22 VAL 13 -8.053 -7.608 -2.439 96 HG23 VAL 13 HG23 VAL 13 -6.801 -8.401 -1.483 97 H VAL 14 H VAL 14 -5.719 -3.920 -2.207 98 HA VAL 14 HA VAL 14 -3.233 -3.277 -3.416 99 HB VAL 14 HB VAL 14 -5.427 -1.999 -3.447 100 HG11 VAL 14 HG11 VAL 14 -6.012 -0.545 -1.669 101 HG12 VAL 14 HG12 VAL 14 -4.440 -0.726 -0.894 102 HG13 VAL 14 HG13 VAL 14 -5.590 -2.061 -0.876 103 HG21 VAL 14 HG21 VAL 14 -4.320 0.230 -3.525 104 HG22 VAL 14 HG22 VAL 14 -3.384 -1.012 -4.357 105 HG23 VAL 14 HG23 VAL 14 -2.900 -0.473 -2.748 106 H ALA 15 H ALA 15 -4.210 -3.150 0.008 107 HA ALA 15 HA ALA 15 -1.737 -1.909 0.936 108 HB1 ALA 15 HB1 ALA 15 -4.107 -1.988 1.997 109 HB2 ALA 15 HB2 ALA 15 -2.731 -2.204 3.078 110 HB3 ALA 15 HB3 ALA 15 -3.660 -3.604 2.543 111 H LEU 16 H LEU 16 -3.005 -5.218 0.658 112 HA LEU 16 HA LEU 16 -0.938 -6.634 2.020 113 HB2 LEU 16 HB2 LEU 16 -3.228 -7.116 0.341 114 HB3 LEU 16 HB3 LEU 16 -1.901 -8.140 -0.203 115 HG LEU 16 HG LEU 16 -1.574 -8.727 2.290 116 HD11 LEU 16 HD11 LEU 16 -3.115 -6.813 3.003 117 HD12 LEU 16 HD12 LEU 16 -3.426 -8.375 3.761 118 HD13 LEU 16 HD13 LEU 16 -4.456 -7.815 2.444 119 HD21 LEU 16 HD21 LEU 16 -2.410 -10.441 0.896 120 HD22 LEU 16 HD22 LEU 16 -3.915 -9.576 0.584 121 HD23 LEU 16 HD23 LEU 16 -3.631 -10.311 2.162 122 H VAL 17 H VAL 17 -1.078 -5.270 -1.239 123 HA VAL 17 HA VAL 17 1.330 -6.655 -2.185 124 HB VAL 17 HB VAL 17 -0.311 -4.316 -3.230 125 HG11 VAL 17 HG11 VAL 17 1.826 -5.998 -4.579 126 HG12 VAL 17 HG12 VAL 17 1.940 -4.281 -4.194 127 HG13 VAL 17 HG13 VAL 17 0.787 -4.838 -5.407 128 HG21 VAL 17 HG21 VAL 17 -1.716 -5.847 -4.140 129 HG22 VAL 17 HG22 VAL 17 -1.006 -6.990 -3.000 130 HG23 VAL 17 HG23 VAL 17 -0.386 -6.889 -4.647 131 H VAL 18 H VAL 18 0.502 -3.356 -1.070 132 HA VAL 18 HA VAL 18 3.135 -2.237 -1.451 133 HB VAL 18 HB VAL 18 0.716 -1.518 0.227 134 HG11 VAL 18 HG11 VAL 18 1.882 0.779 0.312 135 HG12 VAL 18 HG12 VAL 18 3.363 -0.091 -0.091 136 HG13 VAL 18 HG13 VAL 18 2.496 -0.466 1.399 137 HG21 VAL 18 HG21 VAL 18 0.313 0.104 -1.506 138 HG22 VAL 18 HG22 VAL 18 0.647 -1.429 -2.312 139 HG23 VAL 18 HG23 VAL 18 1.896 -0.186 -2.226 140 H MET 19 H MET 19 1.512 -3.687 1.407 141 HA MET 19 HA MET 19 3.625 -3.192 3.277 142 HB2 MET 19 HB2 MET 19 2.470 -4.863 4.626 143 HB3 MET 19 HB3 MET 19 1.268 -3.887 3.784 144 HG2 MET 19 HG2 MET 19 0.400 -5.894 3.164 145 HG3 MET 19 HG3 MET 19 1.693 -5.893 1.968 146 HE1 MET 19 HE1 MET 19 -0.105 -7.325 4.482 147 HE2 MET 19 HE2 MET 19 0.978 -7.315 5.872 148 HE3 MET 19 HE3 MET 19 0.710 -8.813 4.984 149 H SER 20 H SER 20 3.207 -5.703 0.816 150 HA SER 20 HA SER 20 5.271 -7.497 1.772 151 HB2 SER 20 HB2 SER 20 3.367 -7.898 0.090 152 HB3 SER 20 HB3 SER 20 4.363 -7.047 -1.087 153 HG SER 20 HG SER 20 5.972 -8.604 -0.768 154 H ARG 21 H ARG 21 5.209 -4.800 -0.570 155 HA ARG 21 HA ARG 21 7.951 -4.957 -1.409 156 HB2 ARG 21 HB2 ARG 21 5.630 -3.209 -1.644 157 HB3 ARG 21 HB3 ARG 21 7.109 -2.265 -1.471 158 HG2 ARG 21 HG2 ARG 21 6.860 -2.647 -3.814 159 HG3 ARG 21 HG3 ARG 21 8.116 -3.766 -3.281 160 HD2 ARG 21 HD2 ARG 21 6.733 -5.634 -3.500 161 HD3 ARG 21 HD3 ARG 21 5.248 -4.687 -3.279 162 HE ARG 21 HE ARG 21 5.342 -4.061 -5.577 163 HH11 ARG 21 HH11 ARG 21 6.937 -6.830 -5.444 164 HH12 ARG 21 HH12 ARG 21 8.161 -6.482 -6.619 165 HH21 ARG 21 HH21 ARG 21 7.486 -3.072 -6.699 166 HH22 ARG 21 HH22 ARG 21 8.473 -4.347 -7.332 167 H PHE 22 H PHE 22 6.347 -3.272 1.292 168 HA PHE 22 HA PHE 22 8.552 -1.724 2.229 169 HB2 PHE 22 HB2 PHE 22 6.132 -1.576 2.901 170 HB3 PHE 22 HB3 PHE 22 6.336 -3.072 3.810 171 HD1 PHE 22 HD1 PHE 22 7.635 0.417 3.492 172 HD2 PHE 22 HD2 PHE 22 7.236 -3.052 5.995 173 HE1 PHE 22 HE1 PHE 22 8.525 1.703 5.417 174 HE2 PHE 22 HE2 PHE 22 8.126 -1.765 7.920 175 HZ PHE 22 HZ PHE 22 8.772 0.612 7.630 176 H GLY 23 H GLY 23 7.522 -5.056 3.058 177 HA2 GLY 23 HA2 GLY 23 9.549 -5.570 5.007 178 HA3 GLY 23 HA3 GLY 23 8.695 -6.810 4.087 179 H PHE 24 H PHE 24 9.495 -5.955 1.473 180 HA PHE 24 HA PHE 24 12.028 -7.284 1.194 181 HB2 PHE 24 HB2 PHE 24 10.081 -5.772 -0.476 182 HB3 PHE 24 HB3 PHE 24 11.718 -5.890 -1.118 183 HD1 PHE 24 HD1 PHE 24 9.030 -8.007 0.419 184 HD2 PHE 24 HD2 PHE 24 12.367 -7.816 -2.279 185 HE1 PHE 24 HE1 PHE 24 8.581 -10.336 -0.300 186 HE2 PHE 24 HE2 PHE 24 11.918 -10.146 -2.997 187 HZ PHE 24 HZ PHE 24 10.025 -11.406 -2.008 188 H PHE 25 H PHE 25 11.120 -3.821 1.148 189 HA PHE 25 HA PHE 25 13.677 -2.714 0.564 190 HB2 PHE 25 HB2 PHE 25 11.464 -1.545 0.603 191 HB3 PHE 25 HB3 PHE 25 11.470 -1.650 2.363 192 HD1 PHE 25 HD1 PHE 25 13.360 -0.290 -0.553 193 HD2 PHE 25 HD2 PHE 25 12.665 -0.082 3.681 194 HE1 PHE 25 HE1 PHE 25 14.724 1.777 -0.431 195 HE2 PHE 25 HE2 PHE 25 14.030 1.984 3.803 196 HZ PHE 25 HZ PHE 25 15.060 2.915 1.747 197 H ALA 26 H ALA 26 12.201 -3.604 3.699 198 HA ALA 26 HA ALA 26 14.424 -2.700 5.326 199 HB1 ALA 26 HB1 ALA 26 11.977 -3.121 5.957 200 HB2 ALA 26 HB2 ALA 26 13.176 -3.742 7.091 201 HB3 ALA 26 HB3 ALA 26 12.376 -4.839 5.965 202 H HIS 27 H HIS 27 13.532 -5.821 3.858 203 HA HIS 27 HA HIS 27 15.643 -7.354 5.137 204 HB2 HIS 27 HB2 HIS 27 13.350 -7.963 3.909 205 HB3 HIS 27 HB3 HIS 27 14.416 -8.118 2.514 206 HD1 HIS 27 HD1 HIS 27 16.752 -9.584 3.229 207 HD2 HIS 27 HD2 HIS 27 13.207 -10.333 5.291 208 HE1 HIS 27 HE1 HIS 27 17.015 -11.864 4.300 209 H LEU 28 H LEU 28 15.438 -5.404 2.202 210 HA LEU 28 HA LEU 28 18.116 -6.376 1.305 211 HB2 LEU 28 HB2 LEU 28 15.733 -5.022 0.084 212 HB3 LEU 28 HB3 LEU 28 17.306 -4.798 -0.679 213 HG LEU 28 HG LEU 28 17.297 -7.506 -0.215 214 HD11 LEU 28 HD11 LEU 28 14.489 -6.707 -1.044 215 HD12 LEU 28 HD12 LEU 28 14.925 -7.387 0.524 216 HD13 LEU 28 HD13 LEU 28 15.113 -8.353 -0.940 217 HD21 LEU 28 HD21 LEU 28 16.342 -5.937 -2.628 218 HD22 LEU 28 HD22 LEU 28 16.717 -7.660 -2.668 219 HD23 LEU 28 HD23 LEU 28 17.984 -6.489 -2.302 220 H LEU 29 H LEU 29 18.223 -4.809 3.621 221 HA LEU 29 HA LEU 29 18.814 -2.016 2.799 222 HB2 LEU 29 HB2 LEU 29 17.498 -2.641 4.855 223 HB3 LEU 29 HB3 LEU 29 18.958 -3.383 5.505 224 HG LEU 29 HG LEU 29 19.900 -0.918 4.775 225 HD11 LEU 29 HD11 LEU 29 18.332 0.772 5.188 226 HD12 LEU 29 HD12 LEU 29 17.253 -0.308 6.069 227 HD13 LEU 29 HD13 LEU 29 17.368 -0.418 4.314 228 HD21 LEU 29 HD21 LEU 29 19.681 -0.377 7.222 229 HD22 LEU 29 HD22 LEU 29 20.333 -1.986 6.917 230 HD23 LEU 29 HD23 LEU 29 18.647 -1.795 7.398 231 HA PRO 30 HA PRO 30 23.100 -3.330 2.460 232 HB2 PRO 30 HB2 PRO 30 24.033 -0.979 1.417 233 HB3 PRO 30 HB3 PRO 30 23.172 -2.188 0.447 234 HG2 PRO 30 HG2 PRO 30 22.198 0.376 1.573 235 HG3 PRO 30 HG3 PRO 30 21.773 -0.430 0.056 236 HD2 PRO 30 HD2 PRO 30 20.220 -0.439 2.339 237 HD3 PRO 30 HD3 PRO 30 20.103 -1.626 1.023 238 H ARG 31 H ARG 31 22.590 -2.990 5.021 239 HA ARG 31 HA ARG 31 24.759 -1.280 6.036 240 HB2 ARG 31 HB2 ARG 31 22.344 -0.089 5.676 241 HB3 ARG 31 HB3 ARG 31 22.126 -0.730 7.304 242 HG2 ARG 31 HG2 ARG 31 24.607 0.298 7.573 243 HG3 ARG 31 HG3 ARG 31 23.981 1.385 6.333 244 HD2 ARG 31 HD2 ARG 31 22.206 0.814 8.678 245 HD3 ARG 31 HD3 ARG 31 23.587 1.900 8.929 246 HE ARG 31 HE ARG 31 22.716 3.165 6.877 247 HH11 ARG 31 HH11 ARG 31 21.058 3.949 9.147 248 HH12 ARG 31 HH12 ARG 31 19.448 3.582 8.626 249 HH21 ARG 31 HH21 ARG 31 20.482 1.483 6.053 250 HH22 ARG 31 HH22 ARG 31 19.120 2.178 6.866 Start of MODEL 30 1 HA ASP 1 HA ASP 1 -4.227 4.986 -15.129 2 HB2 ASP 1 HB2 ASP 1 -2.858 2.970 -15.469 3 HB3 ASP 1 HB3 ASP 1 -1.822 4.394 -15.410 4 H THR 2 H THR 2 -5.641 3.110 -14.938 5 HA THR 2 HA THR 2 -7.138 1.679 -13.809 6 HB THR 2 HB THR 2 -5.050 1.664 -11.609 7 HG1 THR 2 HG1 THR 2 -3.737 1.083 -13.143 8 HG21 THR 2 HG21 THR 2 -7.208 -0.178 -12.581 9 HG22 THR 2 HG22 THR 2 -6.790 0.279 -10.930 10 HG23 THR 2 HG23 THR 2 -5.775 -0.861 -11.813 11 H GLU 3 H GLU 3 -8.389 1.509 -11.614 12 HA GLU 3 HA GLU 3 -9.223 4.215 -10.838 13 HB2 GLU 3 HB2 GLU 3 -10.097 1.380 -10.441 14 HB3 GLU 3 HB3 GLU 3 -10.666 2.573 -9.273 15 HG2 GLU 3 HG2 GLU 3 -11.600 3.943 -11.062 16 HG3 GLU 3 HG3 GLU 3 -10.942 2.851 -12.280 17 H ILE 4 H ILE 4 -7.327 5.011 -9.708 18 HA ILE 4 HA ILE 4 -6.758 3.640 -7.102 19 HB ILE 4 HB ILE 4 -5.045 3.942 -9.089 20 HG12 ILE 4 HG12 ILE 4 -4.552 3.024 -6.823 21 HG13 ILE 4 HG13 ILE 4 -3.214 3.960 -7.483 22 HG21 ILE 4 HG21 ILE 4 -5.493 6.437 -9.196 23 HG22 ILE 4 HG22 ILE 4 -3.793 5.982 -9.078 24 HG23 ILE 4 HG23 ILE 4 -4.647 6.576 -7.655 25 HD11 ILE 4 HD11 ILE 4 -4.478 5.939 -6.182 26 HD12 ILE 4 HD12 ILE 4 -3.296 4.904 -5.385 27 HD13 ILE 4 HD13 ILE 4 -5.019 4.584 -5.192 28 H ILE 5 H ILE 5 -7.434 6.785 -8.642 29 HA ILE 5 HA ILE 5 -7.419 8.100 -5.962 30 HB ILE 5 HB ILE 5 -7.488 9.107 -8.823 31 HG12 ILE 5 HG12 ILE 5 -5.359 9.920 -6.939 32 HG13 ILE 5 HG13 ILE 5 -5.368 8.204 -7.337 33 HG21 ILE 5 HG21 ILE 5 -7.197 11.372 -7.773 34 HG22 ILE 5 HG22 ILE 5 -7.541 10.640 -6.207 35 HG23 ILE 5 HG23 ILE 5 -8.778 10.653 -7.465 36 HD11 ILE 5 HD11 ILE 5 -4.127 8.932 -9.125 37 HD12 ILE 5 HD12 ILE 5 -4.825 10.551 -9.082 38 HD13 ILE 5 HD13 ILE 5 -5.725 9.221 -9.810 39 H GLY 6 H GLY 6 -9.376 8.039 -4.950 40 HA2 GLY 6 HA2 GLY 6 -11.667 9.192 -5.180 41 HA3 GLY 6 HA3 GLY 6 -11.854 8.186 -6.617 42 H GLY 7 H GLY 7 -10.971 7.763 -3.164 43 HA2 GLY 7 HA2 GLY 7 -13.077 5.749 -2.841 44 HA3 GLY 7 HA3 GLY 7 -11.439 5.099 -2.752 45 H LEU 8 H LEU 8 -10.174 5.554 -0.928 46 HA LEU 8 HA LEU 8 -11.075 7.507 1.080 47 HB2 LEU 8 HB2 LEU 8 -11.841 4.706 1.124 48 HB3 LEU 8 HB3 LEU 8 -10.890 5.109 2.553 49 HG LEU 8 HG LEU 8 -13.128 6.916 1.662 50 HD11 LEU 8 HD11 LEU 8 -14.682 5.677 3.060 51 HD12 LEU 8 HD12 LEU 8 -13.416 4.542 3.526 52 HD13 LEU 8 HD13 LEU 8 -14.003 4.572 1.864 53 HD21 LEU 8 HD21 LEU 8 -13.149 7.461 4.071 54 HD22 LEU 8 HD22 LEU 8 -11.536 7.691 3.394 55 HD23 LEU 8 HD23 LEU 8 -11.892 6.258 4.358 56 H THR 9 H THR 9 -9.271 4.510 1.647 57 HA THR 9 HA THR 9 -6.693 6.013 1.657 58 HB THR 9 HB THR 9 -6.302 4.842 3.938 59 HG1 THR 9 HG1 THR 9 -8.012 3.476 4.028 60 HG21 THR 9 HG21 THR 9 -6.844 7.318 3.474 61 HG22 THR 9 HG22 THR 9 -7.140 6.719 5.107 62 HG23 THR 9 HG23 THR 9 -8.485 6.922 3.984 63 H ILE 10 H ILE 10 -7.290 4.263 -0.325 64 HA ILE 10 HA ILE 10 -6.411 2.403 -1.461 65 HB ILE 10 HB ILE 10 -4.728 2.157 1.051 66 HG12 ILE 10 HG12 ILE 10 -3.698 3.323 -1.499 67 HG13 ILE 10 HG13 ILE 10 -4.766 4.332 -0.525 68 HG21 ILE 10 HG21 ILE 10 -3.162 0.934 -0.400 69 HG22 ILE 10 HG22 ILE 10 -4.285 1.093 -1.751 70 HG23 ILE 10 HG23 ILE 10 -4.727 0.121 -0.348 71 HD11 ILE 10 HD11 ILE 10 -3.316 4.206 1.370 72 HD12 ILE 10 HD12 ILE 10 -2.273 4.538 -0.013 73 HD13 ILE 10 HD13 ILE 10 -2.370 2.906 0.646 74 HA PRO 11 HA PRO 11 -8.940 -0.789 0.243 75 HB2 PRO 11 HB2 PRO 11 -8.608 -2.622 -1.761 76 HB3 PRO 11 HB3 PRO 11 -9.624 -1.178 -1.928 77 HG2 PRO 11 HG2 PRO 11 -6.940 -1.733 -3.023 78 HG3 PRO 11 HG3 PRO 11 -8.236 -0.715 -3.662 79 HD2 PRO 11 HD2 PRO 11 -5.948 0.173 -2.323 80 HD3 PRO 11 HD3 PRO 11 -7.404 1.131 -2.648 81 HA PRO 12 HA PRO 12 -6.320 -3.676 2.285 82 HB2 PRO 12 HB2 PRO 12 -7.762 -6.010 2.212 83 HB3 PRO 12 HB3 PRO 12 -8.176 -4.641 3.264 84 HG2 PRO 12 HG2 PRO 12 -9.338 -5.415 0.626 85 HG3 PRO 12 HG3 PRO 12 -10.153 -4.846 2.093 86 HD2 PRO 12 HD2 PRO 12 -9.686 -3.222 -0.008 87 HD3 PRO 12 HD3 PRO 12 -9.665 -2.631 1.670 88 H VAL 13 H VAL 13 -7.544 -4.682 -0.891 89 HA VAL 13 HA VAL 13 -5.710 -6.860 -1.340 90 HB VAL 13 HB VAL 13 -7.121 -4.952 -3.246 91 HG11 VAL 13 HG11 VAL 13 -5.919 -7.699 -3.722 92 HG12 VAL 13 HG12 VAL 13 -5.290 -6.176 -4.350 93 HG13 VAL 13 HG13 VAL 13 -6.853 -6.776 -4.899 94 HG21 VAL 13 HG21 VAL 13 -8.563 -7.193 -3.390 95 HG22 VAL 13 HG22 VAL 13 -8.878 -5.988 -2.141 96 HG23 VAL 13 HG23 VAL 13 -7.928 -7.425 -1.762 97 H VAL 14 H VAL 14 -5.615 -3.419 -2.368 98 HA VAL 14 HA VAL 14 -2.974 -3.538 -3.521 99 HB VAL 14 HB VAL 14 -4.719 -1.312 -2.418 100 HG11 VAL 14 HG11 VAL 14 -3.134 0.104 -3.937 101 HG12 VAL 14 HG12 VAL 14 -2.002 -1.231 -3.717 102 HG13 VAL 14 HG13 VAL 14 -2.587 -0.330 -2.317 103 HG21 VAL 14 HG21 VAL 14 -5.282 -2.744 -4.544 104 HG22 VAL 14 HG22 VAL 14 -4.002 -1.797 -5.302 105 HG23 VAL 14 HG23 VAL 14 -5.419 -0.988 -4.634 106 H ALA 15 H ALA 15 -4.184 -2.581 -0.292 107 HA ALA 15 HA ALA 15 -1.706 -1.751 0.852 108 HB1 ALA 15 HB1 ALA 15 -4.076 -1.484 1.727 109 HB2 ALA 15 HB2 ALA 15 -2.902 -2.000 2.939 110 HB3 ALA 15 HB3 ALA 15 -4.007 -3.175 2.224 111 H LEU 16 H LEU 16 -3.201 -4.982 0.598 112 HA LEU 16 HA LEU 16 -1.295 -6.399 2.220 113 HB2 LEU 16 HB2 LEU 16 -3.594 -7.129 1.428 114 HB3 LEU 16 HB3 LEU 16 -2.882 -7.407 -0.161 115 HG LEU 16 HG LEU 16 -1.161 -8.886 1.066 116 HD11 LEU 16 HD11 LEU 16 -1.552 -8.237 3.342 117 HD12 LEU 16 HD12 LEU 16 -2.158 -9.885 3.186 118 HD13 LEU 16 HD13 LEU 16 -3.285 -8.529 3.195 119 HD21 LEU 16 HD21 LEU 16 -2.790 -10.806 1.131 120 HD22 LEU 16 HD22 LEU 16 -2.873 -9.858 -0.354 121 HD23 LEU 16 HD23 LEU 16 -4.095 -9.642 0.900 122 H VAL 17 H VAL 17 -1.425 -5.703 -1.284 123 HA VAL 17 HA VAL 17 0.917 -7.224 -2.009 124 HB VAL 17 HB VAL 17 -0.553 -4.861 -3.227 125 HG11 VAL 17 HG11 VAL 17 0.675 -5.608 -5.350 126 HG12 VAL 17 HG12 VAL 17 1.773 -6.484 -4.282 127 HG13 VAL 17 HG13 VAL 17 1.638 -4.729 -4.162 128 HG21 VAL 17 HG21 VAL 17 -1.539 -6.523 -4.673 129 HG22 VAL 17 HG22 VAL 17 -1.698 -7.115 -3.020 130 HG23 VAL 17 HG23 VAL 17 -0.447 -7.772 -4.074 131 H VAL 18 H VAL 18 0.420 -3.809 -1.076 132 HA VAL 18 HA VAL 18 3.128 -2.931 -1.499 133 HB VAL 18 HB VAL 18 0.831 -2.001 0.251 134 HG11 VAL 18 HG11 VAL 18 2.194 0.197 0.245 135 HG12 VAL 18 HG12 VAL 18 3.578 -0.814 -0.173 136 HG13 VAL 18 HG13 VAL 18 2.719 -1.077 1.346 137 HG21 VAL 18 HG21 VAL 18 0.712 -1.931 -2.309 138 HG22 VAL 18 HG22 VAL 18 2.010 -0.740 -2.237 139 HG23 VAL 18 HG23 VAL 18 0.454 -0.395 -1.483 140 H MET 19 H MET 19 1.528 -4.585 1.194 141 HA MET 19 HA MET 19 3.398 -4.134 3.282 142 HB2 MET 19 HB2 MET 19 1.086 -5.351 3.168 143 HB3 MET 19 HB3 MET 19 2.041 -6.783 2.778 144 HG2 MET 19 HG2 MET 19 3.451 -5.937 4.896 145 HG3 MET 19 HG3 MET 19 1.889 -5.239 5.328 146 HE1 MET 19 HE1 MET 19 0.166 -6.560 6.673 147 HE2 MET 19 HE2 MET 19 -0.473 -8.023 5.929 148 HE3 MET 19 HE3 MET 19 -0.309 -6.554 4.969 149 H SER 20 H SER 20 3.400 -6.608 0.693 150 HA SER 20 HA SER 20 5.746 -8.030 1.537 151 HB2 SER 20 HB2 SER 20 3.900 -8.524 -0.257 152 HB3 SER 20 HB3 SER 20 4.937 -7.601 -1.340 153 HG SER 20 HG SER 20 6.621 -9.056 -0.848 154 H ARG 21 H ARG 21 5.298 -5.226 -0.634 155 HA ARG 21 HA ARG 21 8.020 -4.935 -1.473 156 HB2 ARG 21 HB2 ARG 21 6.105 -3.831 -2.544 157 HB3 ARG 21 HB3 ARG 21 5.778 -2.921 -1.069 158 HG2 ARG 21 HG2 ARG 21 7.544 -1.484 -1.392 159 HG3 ARG 21 HG3 ARG 21 8.528 -2.702 -2.200 160 HD2 ARG 21 HD2 ARG 21 6.075 -1.419 -3.461 161 HD3 ARG 21 HD3 ARG 21 7.739 -0.880 -3.755 162 HE ARG 21 HE ARG 21 6.544 -3.202 -4.943 163 HH11 ARG 21 HH11 ARG 21 9.079 -1.814 -5.860 164 HH12 ARG 21 HH12 ARG 21 10.265 -3.048 -5.596 165 HH21 ARG 21 HH21 ARG 21 8.216 -4.944 -3.526 166 HH22 ARG 21 HH22 ARG 21 9.775 -4.825 -4.268 167 H PHE 22 H PHE 22 6.246 -3.629 1.336 168 HA PHE 22 HA PHE 22 8.293 -1.923 2.369 169 HB2 PHE 22 HB2 PHE 22 5.868 -2.023 3.018 170 HB3 PHE 22 HB3 PHE 22 6.195 -3.542 3.853 171 HD1 PHE 22 HD1 PHE 22 7.309 0.031 3.702 172 HD2 PHE 22 HD2 PHE 22 6.945 -3.530 6.077 173 HE1 PHE 22 HE1 PHE 22 8.065 1.288 5.702 174 HE2 PHE 22 HE2 PHE 22 7.700 -2.273 8.077 175 HZ PHE 22 HZ PHE 22 8.260 0.136 7.889 176 H GLY 23 H GLY 23 7.564 -5.370 3.049 177 HA2 GLY 23 HA2 GLY 23 9.598 -5.800 4.998 178 HA3 GLY 23 HA3 GLY 23 8.910 -7.060 3.972 179 H PHE 24 H PHE 24 9.664 -5.992 1.448 180 HA PHE 24 HA PHE 24 12.343 -6.986 1.152 181 HB2 PHE 24 HB2 PHE 24 10.158 -5.971 -0.439 182 HB3 PHE 24 HB3 PHE 24 11.659 -5.221 -0.982 183 HD1 PHE 24 HD1 PHE 24 10.234 -8.564 -0.056 184 HD2 PHE 24 HD2 PHE 24 13.081 -6.387 -2.424 185 HE1 PHE 24 HE2 PHE 24 10.865 -10.660 -1.227 186 HE2 PHE 24 HE1 PHE 24 13.710 -8.481 -3.595 187 HZ PHE 24 HZ PHE 24 12.603 -10.617 -2.996 188 H PHE 25 H PHE 25 11.016 -3.672 1.313 189 HA PHE 25 HA PHE 25 13.395 -2.193 0.845 190 HB2 PHE 25 HB2 PHE 25 10.882 -1.530 1.134 191 HB3 PHE 25 HB3 PHE 25 11.279 -1.408 2.848 192 HD1 PHE 25 HD1 PHE 25 11.885 -0.011 -0.506 193 HD2 PHE 25 HD2 PHE 25 12.808 0.305 3.676 194 HE1 PHE 25 HE2 PHE 25 12.875 2.229 -0.894 195 HE2 PHE 25 HE1 PHE 25 13.797 2.546 3.289 196 HZ PHE 25 HZ PHE 25 13.831 3.508 1.003 197 H ALA 26 H ALA 26 12.083 -3.551 3.879 198 HA ALA 26 HA ALA 26 14.141 -2.476 5.608 199 HB1 ALA 26 HB1 ALA 26 12.118 -4.724 5.763 200 HB2 ALA 26 HB2 ALA 26 12.049 -3.144 6.544 201 HB3 ALA 26 HB3 ALA 26 13.202 -4.354 7.105 202 H HIS 27 H HIS 27 13.774 -5.511 3.787 203 HA HIS 27 HA HIS 27 16.143 -6.783 4.917 204 HB2 HIS 27 HB2 HIS 27 14.039 -7.299 2.902 205 HB3 HIS 27 HB3 HIS 27 15.586 -8.071 2.559 206 HD1 HIS 27 HD1 HIS 27 16.640 -9.348 4.808 207 HD2 HIS 27 HD2 HIS 27 12.515 -8.772 4.668 208 HE1 HIS 27 HE1 HIS 27 15.632 -10.971 6.472 209 H LEU 28 H LEU 28 15.549 -4.554 2.279 210 HA LEU 28 HA LEU 28 18.175 -5.094 1.015 211 HB2 LEU 28 HB2 LEU 28 15.611 -3.766 0.373 212 HB3 LEU 28 HB3 LEU 28 17.031 -2.942 -0.265 213 HG LEU 28 HG LEU 28 16.152 -4.597 -1.878 214 HD11 LEU 28 HD11 LEU 28 18.240 -5.371 -2.517 215 HD12 LEU 28 HD12 LEU 28 18.693 -5.819 -0.873 216 HD13 LEU 28 HD13 LEU 28 18.714 -4.125 -1.361 217 HD21 LEU 28 HD21 LEU 28 16.859 -6.641 0.253 218 HD22 LEU 28 HD22 LEU 28 16.236 -6.988 -1.359 219 HD23 LEU 28 HD23 LEU 28 15.217 -6.165 -0.179 220 H LEU 29 H LEU 29 18.637 -4.248 3.560 221 HA LEU 29 HA LEU 29 18.750 -1.425 4.025 222 HB2 LEU 29 HB2 LEU 29 20.122 -3.890 5.068 223 HB3 LEU 29 HB3 LEU 29 20.687 -2.304 5.595 224 HG LEU 29 HG LEU 29 17.749 -2.693 5.659 225 HD11 LEU 29 HD11 LEU 29 19.652 -4.211 7.460 226 HD12 LEU 29 HD12 LEU 29 18.337 -4.868 6.485 227 HD13 LEU 29 HD13 LEU 29 17.977 -3.878 7.898 228 HD21 LEU 29 HD21 LEU 29 19.460 -1.788 7.947 229 HD22 LEU 29 HD22 LEU 29 17.891 -1.184 7.417 230 HD23 LEU 29 HD23 LEU 29 19.349 -0.752 6.525 231 HA PRO 30 HA PRO 30 22.096 -0.345 1.322 232 HB2 PRO 30 HB2 PRO 30 22.676 2.108 2.384 233 HB3 PRO 30 HB3 PRO 30 21.253 1.808 1.368 234 HG2 PRO 30 HG2 PRO 30 21.450 2.053 4.322 235 HG3 PRO 30 HG3 PRO 30 20.177 2.607 3.225 236 HD2 PRO 30 HD2 PRO 30 19.999 0.349 4.766 237 HD3 PRO 30 HD3 PRO 30 19.105 0.594 3.250 238 H ARG 31 H ARG 31 24.453 0.056 1.463 239 HA ARG 31 HA ARG 31 25.715 -0.166 4.136 240 HB2 ARG 31 HB2 ARG 31 27.009 -2.191 3.286 241 HB3 ARG 31 HB3 ARG 31 25.299 -2.473 3.605 242 HG2 ARG 31 HG2 ARG 31 24.767 -2.669 1.362 243 HG3 ARG 31 HG3 ARG 31 26.078 -1.607 0.849 244 HD2 ARG 31 HD2 ARG 31 27.152 -3.974 2.150 245 HD3 ARG 31 HD3 ARG 31 26.101 -4.419 0.790 246 HE ARG 31 HE ARG 31 27.556 -3.219 -0.693 247 HH11 ARG 31 HH11 ARG 31 29.732 -4.422 0.942 248 HH12 ARG 31 HH12 ARG 31 30.691 -3.043 1.368 249 HH21 ARG 31 HH21 ARG 31 28.204 -0.745 0.579 250 HH22 ARG 31 HH22 ARG 31 29.820 -0.954 1.164 Start of MODEL 31 1 HA ASP 1 HA ASP 1 -22.080 0.557 -0.141 2 HB2 ASP 1 HB2 ASP 1 -24.530 0.852 -1.883 3 HB3 ASP 1 HB3 ASP 1 -22.969 0.435 -2.590 4 H THR 2 H THR 2 -20.435 1.691 -1.221 5 HA THR 2 HA THR 2 -21.027 4.297 -2.502 6 HB THR 2 HB THR 2 -20.816 4.840 -0.126 7 HG1 THR 2 HG1 THR 2 -19.516 6.453 -0.524 8 HG21 THR 2 HG21 THR 2 -18.061 3.586 -0.216 9 HG22 THR 2 HG22 THR 2 -19.478 2.762 0.435 10 HG23 THR 2 HG23 THR 2 -18.893 4.244 1.192 11 H GLU 3 H GLU 3 -19.612 4.658 -4.177 12 HA GLU 3 HA GLU 3 -17.007 3.187 -4.210 13 HB2 GLU 3 HB2 GLU 3 -19.003 2.063 -5.432 14 HB3 GLU 3 HB3 GLU 3 -18.847 3.372 -6.603 15 HG2 GLU 3 HG2 GLU 3 -17.454 1.760 -7.547 16 HG3 GLU 3 HG3 GLU 3 -16.300 2.686 -6.588 17 H ILE 4 H ILE 4 -15.657 4.976 -4.150 18 HA ILE 4 HA ILE 4 -16.235 7.525 -5.378 19 HB ILE 4 HB ILE 4 -13.649 6.214 -4.460 20 HG12 ILE 4 HG12 ILE 4 -15.313 6.423 -2.668 21 HG13 ILE 4 HG13 ILE 4 -14.021 7.593 -2.418 22 HG21 ILE 4 HG21 ILE 4 -14.310 9.040 -5.294 23 HG22 ILE 4 HG22 ILE 4 -12.975 8.022 -5.833 24 HG23 ILE 4 HG23 ILE 4 -12.970 8.692 -4.202 25 HD11 ILE 4 HD11 ILE 4 -15.680 9.107 -3.910 26 HD12 ILE 4 HD12 ILE 4 -15.798 9.023 -2.153 27 HD13 ILE 4 HD13 ILE 4 -16.869 8.045 -3.155 28 H ILE 5 H ILE 5 -14.227 4.747 -6.383 29 HA ILE 5 HA ILE 5 -13.446 4.075 -8.495 30 HB ILE 5 HB ILE 5 -15.469 6.138 -9.433 31 HG12 ILE 5 HG12 ILE 5 -15.888 3.153 -9.260 32 HG13 ILE 5 HG13 ILE 5 -16.219 4.190 -7.872 33 HG21 ILE 5 HG21 ILE 5 -15.508 4.669 -11.476 34 HG22 ILE 5 HG22 ILE 5 -14.114 3.810 -10.820 35 HG23 ILE 5 HG23 ILE 5 -13.982 5.518 -11.237 36 HD11 ILE 5 HD11 ILE 5 -18.089 5.067 -8.818 37 HD12 ILE 5 HD12 ILE 5 -18.025 3.649 -9.865 38 HD13 ILE 5 HD13 ILE 5 -17.343 5.181 -10.412 39 H GLY 6 H GLY 6 -11.395 4.657 -9.005 40 HA2 GLY 6 HA2 GLY 6 -10.763 7.550 -9.400 41 HA3 GLY 6 HA3 GLY 6 -9.576 6.302 -9.014 42 H GLY 7 H GLY 7 -9.153 4.656 -10.704 43 HA2 GLY 7 HA2 GLY 7 -9.211 5.890 -13.398 44 HA3 GLY 7 HA3 GLY 7 -8.256 4.481 -12.928 45 H LEU 8 H LEU 8 -10.043 2.762 -11.877 46 HA LEU 8 HA LEU 8 -12.473 2.522 -13.492 47 HB2 LEU 8 HB2 LEU 8 -10.152 1.750 -14.703 48 HB3 LEU 8 HB3 LEU 8 -10.614 0.245 -13.909 49 HG LEU 8 HG LEU 8 -12.631 1.818 -15.502 50 HD11 LEU 8 HD11 LEU 8 -12.057 0.416 -17.457 51 HD12 LEU 8 HD12 LEU 8 -10.700 -0.270 -16.563 52 HD13 LEU 8 HD13 LEU 8 -10.701 1.442 -16.988 53 HD21 LEU 8 HD21 LEU 8 -13.702 -0.368 -15.692 54 HD22 LEU 8 HD22 LEU 8 -13.341 -0.055 -13.995 55 HD23 LEU 8 HD23 LEU 8 -12.316 -1.147 -14.927 56 H THR 9 H THR 9 -10.141 0.366 -11.869 57 HA THR 9 HA THR 9 -12.073 -0.206 -9.699 58 HB THR 9 HB THR 9 -11.579 -2.743 -10.302 59 HG1 THR 9 HG1 THR 9 -11.553 -1.618 -12.887 60 HG21 THR 9 HG21 THR 9 -13.781 -1.370 -10.364 61 HG22 THR 9 HG22 THR 9 -13.702 -2.863 -11.300 62 HG23 THR 9 HG23 THR 9 -13.514 -1.306 -12.107 63 H ILE 10 H ILE 10 -10.989 -0.874 -7.820 64 HA ILE 10 HA ILE 10 -8.111 -1.611 -8.042 65 HB ILE 10 HB ILE 10 -8.180 0.799 -7.789 66 HG12 ILE 10 HG12 ILE 10 -6.694 -0.827 -6.251 67 HG13 ILE 10 HG13 ILE 10 -6.595 0.926 -6.134 68 HG21 ILE 10 HG21 ILE 10 -9.957 0.288 -5.385 69 HG22 ILE 10 HG22 ILE 10 -10.434 1.061 -6.897 70 HG23 ILE 10 HG23 ILE 10 -9.282 1.856 -5.824 71 HD11 ILE 10 HD11 ILE 10 -8.178 0.914 -4.257 72 HD12 ILE 10 HD12 ILE 10 -6.809 -0.139 -3.902 73 HD13 ILE 10 HD13 ILE 10 -8.351 -0.835 -4.394 74 HA PRO 11 HA PRO 11 -9.778 -4.389 -4.969 75 HB2 PRO 11 HB2 PRO 11 -7.682 -6.140 -5.017 76 HB3 PRO 11 HB3 PRO 11 -8.937 -6.104 -6.269 77 HG2 PRO 11 HG2 PRO 11 -6.154 -5.139 -6.366 78 HG3 PRO 11 HG3 PRO 11 -7.198 -5.718 -7.670 79 HD2 PRO 11 HD2 PRO 11 -6.590 -3.039 -7.067 80 HD3 PRO 11 HD3 PRO 11 -7.840 -3.616 -8.188 81 HA PRO 12 HA PRO 12 -7.616 -3.079 -1.336 82 HB2 PRO 12 HB2 PRO 12 -8.244 -5.108 0.388 83 HB3 PRO 12 HB3 PRO 12 -9.412 -3.874 -0.120 84 HG2 PRO 12 HG2 PRO 12 -9.088 -6.675 -1.063 85 HG3 PRO 12 HG3 PRO 12 -10.564 -5.733 -0.802 86 HD2 PRO 12 HD2 PRO 12 -9.455 -6.190 -3.263 87 HD3 PRO 12 HD3 PRO 12 -10.482 -4.791 -2.878 88 H VAL 13 H VAL 13 -6.874 -6.119 -2.857 89 HA VAL 13 HA VAL 13 -4.823 -7.168 -1.197 90 HB VAL 13 HB VAL 13 -5.180 -7.141 -4.215 91 HG11 VAL 13 HG11 VAL 13 -3.299 -8.653 -2.407 92 HG12 VAL 13 HG12 VAL 13 -2.948 -7.833 -3.929 93 HG13 VAL 13 HG13 VAL 13 -3.837 -9.357 -3.933 94 HG21 VAL 13 HG21 VAL 13 -5.886 -9.611 -3.449 95 HG22 VAL 13 HG22 VAL 13 -7.044 -8.281 -3.459 96 HG23 VAL 13 HG23 VAL 13 -6.267 -8.763 -1.951 97 H VAL 14 H VAL 14 -4.716 -4.516 -3.573 98 HA VAL 14 HA VAL 14 -1.902 -4.227 -3.841 99 HB VAL 14 HB VAL 14 -2.460 -1.895 -4.457 100 HG11 VAL 14 HG11 VAL 14 -3.617 -2.471 -6.368 101 HG12 VAL 14 HG12 VAL 14 -4.791 -3.452 -5.493 102 HG13 VAL 14 HG13 VAL 14 -3.174 -4.082 -5.807 103 HG21 VAL 14 HG21 VAL 14 -4.993 -2.571 -2.986 104 HG22 VAL 14 HG22 VAL 14 -5.050 -1.414 -4.315 105 HG23 VAL 14 HG23 VAL 14 -4.023 -1.100 -2.917 106 H ALA 15 H ALA 15 -4.086 -3.073 -1.276 107 HA ALA 15 HA ALA 15 -2.094 -1.502 0.135 108 HB1 ALA 15 HB1 ALA 15 -3.856 -1.669 1.951 109 HB2 ALA 15 HB2 ALA 15 -4.747 -2.767 0.899 110 HB3 ALA 15 HB3 ALA 15 -4.475 -1.098 0.401 111 H LEU 16 H LEU 16 -3.315 -4.841 0.399 112 HA LEU 16 HA LEU 16 -1.895 -5.606 2.767 113 HB2 LEU 16 HB2 LEU 16 -3.715 -6.706 0.995 114 HB3 LEU 16 HB3 LEU 16 -2.268 -7.659 0.678 115 HG LEU 16 HG LEU 16 -3.573 -8.731 2.441 116 HD11 LEU 16 HD11 LEU 16 -1.193 -7.351 3.711 117 HD12 LEU 16 HD12 LEU 16 -1.050 -8.694 2.577 118 HD13 LEU 16 HD13 LEU 16 -1.859 -8.930 4.126 119 HD21 LEU 16 HD21 LEU 16 -3.184 -6.234 4.105 120 HD22 LEU 16 HD22 LEU 16 -4.209 -7.624 4.458 121 HD23 LEU 16 HD23 LEU 16 -4.644 -6.516 3.158 122 H VAL 17 H VAL 17 -0.980 -5.612 -0.681 123 HA VAL 17 HA VAL 17 1.544 -6.989 -0.340 124 HB VAL 17 HB VAL 17 0.544 -5.038 -2.449 125 HG11 VAL 17 HG11 VAL 17 2.725 -7.131 -2.684 126 HG12 VAL 17 HG12 VAL 17 3.046 -5.423 -2.385 127 HG13 VAL 17 HG13 VAL 17 2.268 -5.924 -3.886 128 HG21 VAL 17 HG21 VAL 17 -0.613 -6.762 -3.373 129 HG22 VAL 17 HG22 VAL 17 -0.468 -7.524 -1.790 130 HG23 VAL 17 HG23 VAL 17 0.686 -7.913 -3.065 131 H VAL 18 H VAL 18 0.588 -3.546 -0.350 132 HA VAL 18 HA VAL 18 3.194 -2.381 -0.253 133 HB VAL 18 HB VAL 18 0.465 -1.565 0.791 134 HG11 VAL 18 HG11 VAL 18 2.035 -0.328 2.134 135 HG12 VAL 18 HG12 VAL 18 1.470 0.764 0.869 136 HG13 VAL 18 HG13 VAL 18 3.056 0.006 0.735 137 HG21 VAL 18 HG21 VAL 18 0.163 -0.583 -1.258 138 HG22 VAL 18 HG22 VAL 18 1.349 -1.785 -1.766 139 HG23 VAL 18 HG23 VAL 18 1.863 -0.136 -1.409 140 H MET 19 H MET 19 1.054 -3.569 2.352 141 HA MET 19 HA MET 19 2.660 -2.728 4.578 142 HB2 MET 19 HB2 MET 19 0.259 -3.520 4.558 143 HB3 MET 19 HB3 MET 19 0.859 -5.162 4.324 144 HG2 MET 19 HG2 MET 19 2.312 -4.686 6.433 145 HG3 MET 19 HG3 MET 19 1.182 -3.363 6.720 146 HE1 MET 19 HE1 MET 19 0.641 -6.957 8.761 147 HE2 MET 19 HE2 MET 19 1.441 -5.395 8.927 148 HE3 MET 19 HE3 MET 19 2.071 -6.583 7.789 149 H SER 20 H SER 20 2.650 -5.721 2.625 150 HA SER 20 HA SER 20 4.760 -7.005 4.201 151 HB2 SER 20 HB2 SER 20 2.816 -7.977 2.719 152 HB3 SER 20 HB3 SER 20 3.949 -7.737 1.392 153 HG SER 20 HG SER 20 5.381 -9.108 2.391 154 H ARG 21 H ARG 21 4.582 -4.946 1.346 155 HA ARG 21 HA ARG 21 7.085 -5.463 0.120 156 HB2 ARG 21 HB2 ARG 21 4.933 -3.715 -0.152 157 HB3 ARG 21 HB3 ARG 21 6.293 -2.643 0.178 158 HG2 ARG 21 HG2 ARG 21 7.459 -4.315 -1.601 159 HG3 ARG 21 HG3 ARG 21 5.791 -4.398 -2.167 160 HD2 ARG 21 HD2 ARG 21 7.121 -1.736 -1.603 161 HD3 ARG 21 HD3 ARG 21 7.256 -2.529 -3.184 162 HE ARG 21 HE ARG 21 4.699 -1.621 -1.936 163 HH11 ARG 21 HH11 ARG 21 5.719 -0.470 -4.517 164 HH12 ARG 21 HH12 ARG 21 4.801 -1.350 -5.693 165 HH21 ARG 21 HH21 ARG 21 3.842 -3.839 -3.466 166 HH22 ARG 21 HH22 ARG 21 3.734 -3.264 -5.096 167 H PHE 22 H PHE 22 6.332 -3.578 3.030 168 HA PHE 22 HA PHE 22 8.627 -1.987 3.327 169 HB2 PHE 22 HB2 PHE 22 6.538 -2.188 4.778 170 HB3 PHE 22 HB3 PHE 22 7.295 -3.594 5.527 171 HD1 PHE 22 HD1 PHE 22 7.698 0.054 4.896 172 HD2 PHE 22 HD2 PHE 22 9.025 -3.352 7.153 173 HE1 PHE 22 HE1 PHE 22 9.004 1.547 6.383 174 HE2 PHE 22 HE2 PHE 22 10.332 -1.858 8.639 175 HZ PHE 22 HZ PHE 22 10.321 0.591 8.255 176 H GLY 23 H GLY 23 8.228 -5.397 4.399 177 HA2 GLY 23 HA2 GLY 23 10.914 -5.706 5.362 178 HA3 GLY 23 HA3 GLY 23 9.835 -7.031 4.918 179 H PHE 24 H PHE 24 9.394 -6.454 2.217 180 HA PHE 24 HA PHE 24 11.678 -7.587 0.925 181 HB2 PHE 24 HB2 PHE 24 9.011 -6.822 0.330 182 HB3 PHE 24 HB3 PHE 24 10.026 -5.996 -0.849 183 HD1 PHE 24 HD1 PHE 24 9.806 -9.369 0.805 184 HD2 PHE 24 HD2 PHE 24 10.524 -7.151 -2.805 185 HE1 PHE 24 HE1 PHE 24 10.089 -11.492 -0.446 186 HE2 PHE 24 HE2 PHE 24 10.807 -9.275 -4.053 187 HZ PHE 24 HZ PHE 24 10.589 -11.445 -2.874 188 H PHE 25 H PHE 25 10.561 -4.203 1.193 189 HA PHE 25 HA PHE 25 12.558 -3.002 -0.474 190 HB2 PHE 25 HB2 PHE 25 10.360 -2.081 0.545 191 HB3 PHE 25 HB3 PHE 25 11.320 -1.757 1.988 192 HD1 PHE 25 HD1 PHE 25 10.809 -0.899 -1.563 193 HD2 PHE 25 HD2 PHE 25 13.071 -0.060 1.990 194 HE1 PHE 25 HE2 PHE 25 11.677 1.178 -2.606 195 HE2 PHE 25 HE1 PHE 25 13.938 2.016 0.948 196 HZ PHE 25 HZ PHE 25 13.242 2.634 -1.350 197 H ALA 26 H ALA 26 12.527 -3.809 3.006 198 HA ALA 26 HA ALA 26 14.958 -2.514 3.764 199 HB1 ALA 26 HB1 ALA 26 13.196 -3.519 5.248 200 HB2 ALA 26 HB2 ALA 26 14.830 -4.028 5.677 201 HB3 ALA 26 HB3 ALA 26 13.773 -5.119 4.781 202 H HIS 27 H HIS 27 14.343 -5.678 2.261 203 HA HIS 27 HA HIS 27 17.167 -6.500 2.412 204 HB2 HIS 27 HB2 HIS 27 14.881 -7.861 2.422 205 HB3 HIS 27 HB3 HIS 27 15.091 -7.794 0.672 206 HD1 HIS 27 HD1 HIS 27 17.853 -8.371 0.058 207 HD2 HIS 27 HD2 HIS 27 16.083 -10.133 3.396 208 HE1 HIS 27 HE1 HIS 27 19.251 -10.406 0.619 209 H LEU 28 H LEU 28 14.994 -4.997 0.064 210 HA LEU 28 HA LEU 28 16.982 -5.268 -2.125 211 HB2 LEU 28 HB2 LEU 28 14.125 -4.329 -1.835 212 HB3 LEU 28 HB3 LEU 28 15.031 -4.019 -3.317 213 HG LEU 28 HG LEU 28 15.061 -6.799 -2.214 214 HD11 LEU 28 HD11 LEU 28 12.661 -5.355 -3.168 215 HD12 LEU 28 HD12 LEU 28 12.782 -6.812 -2.182 216 HD13 LEU 28 HD13 LEU 28 12.947 -6.917 -3.935 217 HD21 LEU 28 HD21 LEU 28 15.204 -7.357 -4.587 218 HD22 LEU 28 HD22 LEU 28 16.379 -6.095 -4.224 219 HD23 LEU 28 HD23 LEU 28 14.867 -5.684 -5.032 220 H LEU 29 H LEU 29 18.056 -3.741 -0.110 221 HA LEU 29 HA LEU 29 17.500 -0.890 -0.457 222 HB2 LEU 29 HB2 LEU 29 19.421 -0.679 1.112 223 HB3 LEU 29 HB3 LEU 29 18.242 -1.859 1.680 224 HG LEU 29 HG LEU 29 20.150 -3.192 -0.015 225 HD11 LEU 29 HD11 LEU 29 21.763 -1.487 0.484 226 HD12 LEU 29 HD12 LEU 29 22.135 -2.853 1.536 227 HD13 LEU 29 HD13 LEU 29 21.288 -1.447 2.182 228 HD21 LEU 29 HD21 LEU 29 20.537 -4.471 2.111 229 HD22 LEU 29 HD22 LEU 29 18.832 -4.312 1.696 230 HD23 LEU 29 HD23 LEU 29 19.531 -3.293 2.954 231 HA PRO 30 HA PRO 30 20.255 -0.229 -3.846 232 HB2 PRO 30 HB2 PRO 30 20.691 2.454 -3.542 233 HB3 PRO 30 HB3 PRO 30 19.162 1.787 -4.146 234 HG2 PRO 30 HG2 PRO 30 19.839 2.832 -1.452 235 HG3 PRO 30 HG3 PRO 30 18.324 2.940 -2.359 236 HD2 PRO 30 HD2 PRO 30 18.790 1.176 -0.298 237 HD3 PRO 30 HD3 PRO 30 17.567 0.948 -1.566 238 H ARG 31 H ARG 31 22.443 1.315 -4.096 239 HA ARG 31 HA ARG 31 24.462 0.041 -2.475 240 HB2 ARG 31 HB2 ARG 31 24.384 2.349 -4.430 241 HB3 ARG 31 HB3 ARG 31 25.885 1.855 -3.649 242 HG2 ARG 31 HG2 ARG 31 25.326 -0.523 -4.473 243 HG3 ARG 31 HG3 ARG 31 24.143 0.255 -5.526 244 HD2 ARG 31 HD2 ARG 31 26.797 1.545 -5.587 245 HD3 ARG 31 HD3 ARG 31 26.788 -0.122 -6.195 246 HE ARG 31 HE ARG 31 25.127 0.526 -7.849 247 HH11 ARG 31 HH11 ARG 31 23.616 2.622 -6.433 248 HH12 ARG 31 HH12 ARG 31 24.177 4.083 -7.174 249 HH21 ARG 31 HH21 ARG 31 27.007 2.606 -8.554 250 HH22 ARG 31 HH22 ARG 31 26.105 4.074 -8.381 Start of MODEL 32 1 HA ASP 1 HA ASP 1 -14.761 11.650 -2.114 2 HB2 ASP 1 HB2 ASP 1 -12.647 11.421 -0.023 3 HB3 ASP 1 HB3 ASP 1 -14.128 10.503 0.252 4 H THR 2 H THR 2 -16.860 11.846 -1.401 5 HA THR 2 HA THR 2 -17.370 13.567 1.005 6 HB THR 2 HB THR 2 -18.081 14.201 -1.428 7 HG1 THR 2 HG1 THR 2 -19.856 15.221 -0.583 8 HG21 THR 2 HG21 THR 2 -19.065 11.832 -1.751 9 HG22 THR 2 HG22 THR 2 -20.030 13.197 -2.312 10 HG23 THR 2 HG23 THR 2 -20.423 12.409 -0.784 11 H GLU 3 H GLU 3 -19.481 12.947 2.152 12 HA GLU 3 HA GLU 3 -20.633 11.334 3.441 13 HB2 GLU 3 HB2 GLU 3 -20.608 10.252 0.615 14 HB3 GLU 3 HB3 GLU 3 -21.510 9.454 1.904 15 HG2 GLU 3 HG2 GLU 3 -22.788 11.498 2.321 16 HG3 GLU 3 HG3 GLU 3 -21.845 12.361 1.106 17 H ILE 4 H ILE 4 -18.349 10.975 4.451 18 HA ILE 4 HA ILE 4 -16.672 8.799 3.746 19 HB ILE 4 HB ILE 4 -16.168 10.637 5.348 20 HG12 ILE 4 HG12 ILE 4 -15.927 8.039 6.853 21 HG13 ILE 4 HG13 ILE 4 -15.056 8.276 5.338 22 HG21 ILE 4 HG21 ILE 4 -18.459 10.496 6.472 23 HG22 ILE 4 HG22 ILE 4 -17.081 10.679 7.558 24 HG23 ILE 4 HG23 ILE 4 -17.836 9.099 7.352 25 HD11 ILE 4 HD11 ILE 4 -13.564 8.965 7.084 26 HD12 ILE 4 HD12 ILE 4 -14.826 9.908 7.877 27 HD13 ILE 4 HD13 ILE 4 -14.162 10.444 6.333 28 H ILE 5 H ILE 5 -19.579 8.836 5.832 29 HA ILE 5 HA ILE 5 -20.784 7.062 6.832 30 HB ILE 5 HB ILE 5 -19.904 5.778 4.220 31 HG12 ILE 5 HG12 ILE 5 -20.852 8.044 3.877 32 HG13 ILE 5 HG13 ILE 5 -21.936 6.801 3.262 33 HG21 ILE 5 HG21 ILE 5 -21.021 4.081 5.360 34 HG22 ILE 5 HG22 ILE 5 -22.362 4.862 4.523 35 HG23 ILE 5 HG23 ILE 5 -22.065 5.207 6.227 36 HD11 ILE 5 HD11 ILE 5 -23.250 6.921 5.362 37 HD12 ILE 5 HD12 ILE 5 -23.202 8.478 4.535 38 HD13 ILE 5 HD13 ILE 5 -22.181 8.197 5.945 39 H GLY 6 H GLY 6 -18.518 7.064 8.177 40 HA2 GLY 6 HA2 GLY 6 -17.631 5.289 9.629 41 HA3 GLY 6 HA3 GLY 6 -17.641 4.208 8.235 42 H GLY 7 H GLY 7 -16.222 5.079 6.332 43 HA2 GLY 7 HA2 GLY 7 -14.238 6.397 5.706 44 HA3 GLY 7 HA3 GLY 7 -13.764 6.401 7.405 45 H LEU 8 H LEU 8 -14.304 4.172 4.666 46 HA LEU 8 HA LEU 8 -11.830 2.719 5.338 47 HB2 LEU 8 HB2 LEU 8 -13.118 0.550 5.576 48 HB3 LEU 8 HB3 LEU 8 -13.383 1.696 6.887 49 HG LEU 8 HG LEU 8 -15.252 2.058 4.648 50 HD11 LEU 8 HD11 LEU 8 -15.340 -0.513 6.256 51 HD12 LEU 8 HD12 LEU 8 -14.972 -0.399 4.534 52 HD13 LEU 8 HD13 LEU 8 -16.575 0.040 5.126 53 HD21 LEU 8 HD21 LEU 8 -16.687 2.623 6.360 54 HD22 LEU 8 HD22 LEU 8 -15.167 2.823 7.229 55 HD23 LEU 8 HD23 LEU 8 -16.099 1.339 7.416 56 H THR 9 H THR 9 -12.501 4.161 2.996 57 HA THR 9 HA THR 9 -13.368 2.177 0.962 58 HB THR 9 HB THR 9 -12.457 5.045 0.583 59 HG1 THR 9 HG1 THR 9 -14.503 5.674 1.047 60 HG21 THR 9 HG21 THR 9 -12.801 3.483 -1.399 61 HG22 THR 9 HG22 THR 9 -13.760 4.963 -1.421 62 HG23 THR 9 HG23 THR 9 -14.507 3.436 -0.952 63 H ILE 10 H ILE 10 -11.329 0.871 1.515 64 HA ILE 10 HA ILE 10 -9.091 1.769 -0.249 65 HB ILE 10 HB ILE 10 -7.572 0.803 1.610 66 HG12 ILE 10 HG12 ILE 10 -9.971 1.424 3.351 67 HG13 ILE 10 HG13 ILE 10 -9.605 -0.216 2.814 68 HG21 ILE 10 HG21 ILE 10 -8.994 3.238 2.608 69 HG22 ILE 10 HG22 ILE 10 -8.232 3.309 1.019 70 HG23 ILE 10 HG23 ILE 10 -7.264 2.936 2.444 71 HD11 ILE 10 HD11 ILE 10 -7.332 -0.001 3.815 72 HD12 ILE 10 HD12 ILE 10 -8.615 0.153 5.016 73 HD13 ILE 10 HD13 ILE 10 -7.781 1.591 4.427 74 HA PRO 11 HA PRO 11 -9.483 -2.412 -1.632 75 HB2 PRO 11 HB2 PRO 11 -7.145 -2.583 -3.044 76 HB3 PRO 11 HB3 PRO 11 -8.563 -1.691 -3.625 77 HG2 PRO 11 HG2 PRO 11 -6.074 -0.670 -2.366 78 HG3 PRO 11 HG3 PRO 11 -7.054 0.030 -3.662 79 HD2 PRO 11 HD2 PRO 11 -7.117 0.873 -1.055 80 HD3 PRO 11 HD3 PRO 11 -8.456 1.078 -2.205 81 HA PRO 12 HA PRO 12 -7.091 -4.427 1.560 82 HB2 PRO 12 HB2 PRO 12 -8.058 -6.954 1.149 83 HB3 PRO 12 HB3 PRO 12 -8.971 -5.691 1.997 84 HG2 PRO 12 HG2 PRO 12 -9.241 -6.667 -0.796 85 HG3 PRO 12 HG3 PRO 12 -10.489 -6.143 0.344 86 HD2 PRO 12 HD2 PRO 12 -9.537 -4.600 -1.713 87 HD3 PRO 12 HD3 PRO 12 -10.268 -3.947 -0.231 88 H VAL 13 H VAL 13 -7.346 -5.941 -1.689 89 HA VAL 13 HA VAL 13 -5.010 -7.587 -1.505 90 HB VAL 13 HB VAL 13 -6.415 -6.259 -3.853 91 HG11 VAL 13 HG11 VAL 13 -4.380 -8.506 -3.773 92 HG12 VAL 13 HG12 VAL 13 -4.193 -6.939 -4.560 93 HG13 VAL 13 HG13 VAL 13 -5.357 -8.106 -5.185 94 HG21 VAL 13 HG21 VAL 13 -7.286 -8.683 -4.071 95 HG22 VAL 13 HG22 VAL 13 -7.955 -7.705 -2.766 96 HG23 VAL 13 HG23 VAL 13 -6.710 -8.904 -2.419 97 H VAL 14 H VAL 14 -5.440 -4.281 -2.830 98 HA VAL 14 HA VAL 14 -2.724 -3.849 -3.622 99 HB VAL 14 HB VAL 14 -4.975 -2.017 -2.735 100 HG11 VAL 14 HG11 VAL 14 -3.081 -0.650 -2.431 101 HG12 VAL 14 HG12 VAL 14 -3.563 -0.300 -4.091 102 HG13 VAL 14 HG13 VAL 14 -2.215 -1.392 -3.775 103 HG21 VAL 14 HG21 VAL 14 -5.400 -1.740 -5.066 104 HG22 VAL 14 HG22 VAL 14 -5.151 -3.472 -4.848 105 HG23 VAL 14 HG23 VAL 14 -3.858 -2.472 -5.511 106 H ALA 15 H ALA 15 -4.414 -3.179 -0.533 107 HA ALA 15 HA ALA 15 -2.243 -1.886 0.815 108 HB1 ALA 15 HB1 ALA 15 -4.676 -1.980 1.473 109 HB2 ALA 15 HB2 ALA 15 -3.576 -2.358 2.799 110 HB3 ALA 15 HB3 ALA 15 -4.427 -3.656 1.962 111 H LEU 16 H LEU 16 -3.174 -5.330 0.604 112 HA LEU 16 HA LEU 16 -1.224 -6.386 2.415 113 HB2 LEU 16 HB2 LEU 16 -3.311 -7.422 1.255 114 HB3 LEU 16 HB3 LEU 16 -2.218 -7.761 -0.086 115 HG LEU 16 HG LEU 16 -0.675 -8.808 1.735 116 HD11 LEU 16 HD11 LEU 16 -1.773 -8.095 3.732 117 HD12 LEU 16 HD12 LEU 16 -2.130 -9.817 3.588 118 HD13 LEU 16 HD13 LEU 16 -3.349 -8.622 3.141 119 HD21 LEU 16 HD21 LEU 16 -3.306 -10.133 0.995 120 HD22 LEU 16 HD22 LEU 16 -1.832 -10.966 1.489 121 HD23 LEU 16 HD23 LEU 16 -1.873 -10.076 -0.032 122 H VAL 17 H VAL 17 -1.013 -5.428 -0.983 123 HA VAL 17 HA VAL 17 1.614 -6.655 -1.421 124 HB VAL 17 HB VAL 17 -0.093 -4.655 -2.947 125 HG11 VAL 17 HG11 VAL 17 2.558 -5.939 -3.576 126 HG12 VAL 17 HG12 VAL 17 2.056 -4.263 -3.805 127 HG13 VAL 17 HG13 VAL 17 1.442 -5.522 -4.876 128 HG21 VAL 17 HG21 VAL 17 -1.065 -6.451 -3.980 129 HG22 VAL 17 HG22 VAL 17 -0.583 -7.297 -2.509 130 HG23 VAL 17 HG23 VAL 17 0.422 -7.399 -3.954 131 H VAL 18 H VAL 18 0.352 -3.408 -0.662 132 HA VAL 18 HA VAL 18 2.761 -1.913 -0.996 133 HB VAL 18 HB VAL 18 0.331 -1.609 0.794 134 HG11 VAL 18 HG11 VAL 18 2.044 -0.286 1.833 135 HG12 VAL 18 HG12 VAL 18 1.062 0.828 0.882 136 HG13 VAL 18 HG13 VAL 18 2.630 0.295 0.274 137 HG21 VAL 18 HG21 VAL 18 0.440 -1.490 -1.891 138 HG22 VAL 18 HG22 VAL 18 0.943 0.160 -1.530 139 HG23 VAL 18 HG23 VAL 18 -0.613 -0.435 -0.951 140 H MET 19 H MET 19 1.420 -3.462 1.962 141 HA MET 19 HA MET 19 3.595 -2.734 3.689 142 HB2 MET 19 HB2 MET 19 2.614 -4.414 5.174 143 HB3 MET 19 HB3 MET 19 1.322 -3.519 4.380 144 HG2 MET 19 HG2 MET 19 1.082 -5.339 2.723 145 HG3 MET 19 HG3 MET 19 2.364 -6.240 3.531 146 HE1 MET 19 HE1 MET 19 0.982 -7.696 6.604 147 HE2 MET 19 HE2 MET 19 2.119 -6.359 6.447 148 HE3 MET 19 HE3 MET 19 2.175 -7.694 5.299 149 H SER 20 H SER 20 3.116 -5.489 1.493 150 HA SER 20 HA SER 20 5.358 -7.065 2.393 151 HB2 SER 20 HB2 SER 20 3.479 -6.928 0.101 152 HB3 SER 20 HB3 SER 20 5.020 -7.710 -0.240 153 HG SER 20 HG SER 20 3.183 -9.003 0.695 154 H ARG 21 H ARG 21 4.995 -4.516 -0.080 155 HA ARG 21 HA ARG 21 7.603 -4.675 -1.240 156 HB2 ARG 21 HB2 ARG 21 5.471 -3.354 -1.909 157 HB3 ARG 21 HB3 ARG 21 6.036 -2.129 -0.773 158 HG2 ARG 21 HG2 ARG 21 7.264 -1.316 -2.491 159 HG3 ARG 21 HG3 ARG 21 8.316 -2.710 -2.242 160 HD2 ARG 21 HD2 ARG 21 7.719 -3.556 -4.257 161 HD3 ARG 21 HD3 ARG 21 6.006 -3.505 -3.800 162 HE ARG 21 HE ARG 21 6.109 -1.025 -4.424 163 HH11 ARG 21 HH11 ARG 21 5.983 -2.622 -6.900 164 HH12 ARG 21 HH12 ARG 21 7.345 -2.052 -7.805 165 HH21 ARG 21 HH21 ARG 21 8.889 -0.587 -5.056 166 HH22 ARG 21 HH22 ARG 21 8.996 -0.895 -6.756 167 H PHE 22 H PHE 22 6.394 -2.965 1.647 168 HA PHE 22 HA PHE 22 8.800 -1.504 2.251 169 HB2 PHE 22 HB2 PHE 22 6.331 -2.419 3.706 170 HB3 PHE 22 HB3 PHE 22 7.657 -1.719 4.634 171 HD1 PHE 22 HD1 PHE 22 8.700 0.496 3.507 172 HD2 PHE 22 HD2 PHE 22 4.702 -0.961 2.911 173 HE1 PHE 22 HE2 PHE 22 7.970 2.770 2.835 174 HE2 PHE 22 HE1 PHE 22 3.974 1.310 2.239 175 HZ PHE 22 HZ PHE 22 5.607 3.177 2.200 176 H GLY 23 H GLY 23 7.575 -4.695 3.319 177 HA2 GLY 23 HA2 GLY 23 9.756 -5.326 5.067 178 HA3 GLY 23 HA3 GLY 23 8.692 -6.512 4.307 179 H PHE 24 H PHE 24 9.255 -5.791 1.583 180 HA PHE 24 HA PHE 24 11.550 -7.398 1.015 181 HB2 PHE 24 HB2 PHE 24 9.464 -6.002 -0.348 182 HB3 PHE 24 HB3 PHE 24 10.987 -5.511 -1.089 183 HD1 PHE 24 HD1 PHE 24 8.817 -8.399 -0.267 184 HD2 PHE 24 HD2 PHE 24 12.344 -7.073 -2.330 185 HE1 PHE 24 HE1 PHE 24 8.938 -10.570 -1.459 186 HE2 PHE 24 HE2 PHE 24 12.464 -9.244 -3.521 187 HZ PHE 24 HZ PHE 24 10.761 -10.993 -3.085 188 H PHE 25 H PHE 25 11.135 -3.843 1.122 189 HA PHE 25 HA PHE 25 13.789 -3.123 0.316 190 HB2 PHE 25 HB2 PHE 25 11.646 -1.719 0.550 191 HB3 PHE 25 HB3 PHE 25 12.014 -1.641 2.273 192 HD1 PHE 25 HD1 PHE 25 13.311 -0.817 -1.117 193 HD2 PHE 25 HD2 PHE 25 13.726 -0.205 3.116 194 HE1 PHE 25 HE1 PHE 25 14.914 1.027 -1.540 195 HE2 PHE 25 HE2 PHE 25 15.328 1.640 2.691 196 HZ PHE 25 HZ PHE 25 15.922 2.257 0.363 197 H ALA 26 H ALA 26 12.377 -3.813 3.522 198 HA ALA 26 HA ALA 26 14.644 -3.117 5.125 199 HB1 ALA 26 HB1 ALA 26 12.214 -3.634 5.771 200 HB2 ALA 26 HB2 ALA 26 13.452 -4.305 6.832 201 HB3 ALA 26 HB3 ALA 26 12.652 -5.338 5.648 202 H HIS 27 H HIS 27 13.814 -6.077 3.349 203 HA HIS 27 HA HIS 27 16.028 -7.639 4.474 204 HB2 HIS 27 HB2 HIS 27 13.840 -7.953 2.453 205 HB3 HIS 27 HB3 HIS 27 15.214 -9.054 2.348 206 HD1 HIS 27 HD1 HIS 27 12.653 -7.856 4.903 207 HD2 HIS 27 HD2 HIS 27 15.139 -11.127 4.194 208 HE1 HIS 27 HE1 HIS 27 12.079 -9.587 6.659 209 H LEU 28 H LEU 28 15.405 -5.776 1.509 210 HA LEU 28 HA LEU 28 17.644 -6.597 -0.046 211 HB2 LEU 28 HB2 LEU 28 15.617 -4.517 0.011 212 HB3 LEU 28 HB3 LEU 28 17.158 -3.863 -0.541 213 HG LEU 28 HG LEU 28 17.295 -5.866 -2.118 214 HD11 LEU 28 HD11 LEU 28 14.317 -6.040 -1.637 215 HD12 LEU 28 HD12 LEU 28 15.456 -7.091 -0.794 216 HD13 LEU 28 HD13 LEU 28 15.342 -7.145 -2.553 217 HD21 LEU 28 HD21 LEU 28 16.791 -3.835 -3.176 218 HD22 LEU 28 HD22 LEU 28 15.260 -3.656 -2.316 219 HD23 LEU 28 HD23 LEU 28 15.407 -4.836 -3.619 220 H LEU 29 H LEU 29 17.393 -4.160 2.540 221 HA LEU 29 HA LEU 29 20.007 -2.995 2.150 222 HB2 LEU 29 HB2 LEU 29 17.807 -2.339 3.530 223 HB3 LEU 29 HB3 LEU 29 18.688 -3.127 4.836 224 HG LEU 29 HG LEU 29 19.147 -0.699 4.779 225 HD11 LEU 29 HD11 LEU 29 21.666 -2.005 3.798 226 HD12 LEU 29 HD12 LEU 29 20.927 -2.563 5.298 227 HD13 LEU 29 HD13 LEU 29 21.441 -0.884 5.140 228 HD21 LEU 29 HD21 LEU 29 20.604 -1.078 2.174 229 HD22 LEU 29 HD22 LEU 29 20.008 0.411 2.907 230 HD23 LEU 29 HD23 LEU 29 18.877 -0.720 2.166 231 HA PRO 30 HA PRO 30 22.106 -6.645 3.750 232 HB2 PRO 30 HB2 PRO 30 24.633 -5.761 3.176 233 HB3 PRO 30 HB3 PRO 30 23.556 -6.470 1.956 234 HG2 PRO 30 HG2 PRO 30 24.173 -3.609 2.500 235 HG3 PRO 30 HG3 PRO 30 23.948 -4.440 0.953 236 HD2 PRO 30 HD2 PRO 30 22.031 -2.892 2.114 237 HD3 PRO 30 HD3 PRO 30 21.668 -4.259 1.038 238 H ARG 31 H ARG 31 23.612 -6.998 5.562 239 HA ARG 31 HA ARG 31 24.211 -4.601 7.241 240 HB2 ARG 31 HB2 ARG 31 22.569 -7.047 7.933 241 HB3 ARG 31 HB3 ARG 31 23.306 -6.046 9.184 242 HG2 ARG 31 HG2 ARG 31 22.159 -4.050 8.105 243 HG3 ARG 31 HG3 ARG 31 21.260 -5.202 7.116 244 HD2 ARG 31 HD2 ARG 31 19.819 -5.591 8.818 245 HD3 ARG 31 HD3 ARG 31 21.162 -6.012 9.899 246 HE ARG 31 HE ARG 31 21.442 -3.571 10.341 247 HH11 ARG 31 HH11 ARG 31 18.763 -4.279 11.427 248 HH12 ARG 31 HH12 ARG 31 17.737 -3.076 10.720 249 HH21 ARG 31 HH21 ARG 31 20.048 -2.170 8.285 250 HH22 ARG 31 HH22 ARG 31 18.472 -1.872 8.936 Start of MODEL 33 1 HA ASP 1 HA ASP 1 -21.428 14.906 15.815 2 HB2 ASP 1 HB2 ASP 1 -19.558 13.023 17.140 3 HB3 ASP 1 HB3 ASP 1 -19.284 13.255 15.414 4 H THR 2 H THR 2 -20.505 13.662 13.644 5 HA THR 2 HA THR 2 -22.665 11.724 12.940 6 HB THR 2 HB THR 2 -20.719 13.166 11.117 7 HG1 THR 2 HG1 THR 2 -22.194 14.821 11.037 8 HG21 THR 2 HG21 THR 2 -23.561 12.472 10.471 9 HG22 THR 2 HG22 THR 2 -22.346 11.192 10.444 10 HG23 THR 2 HG23 THR 2 -22.169 12.600 9.395 11 H GLU 3 H GLU 3 -21.936 9.655 13.405 12 HA GLU 3 HA GLU 3 -19.124 8.881 13.040 13 HB2 GLU 3 HB2 GLU 3 -21.691 7.615 13.975 14 HB3 GLU 3 HB3 GLU 3 -20.304 6.588 13.613 15 HG2 GLU 3 HG2 GLU 3 -19.523 7.053 15.674 16 HG3 GLU 3 HG3 GLU 3 -19.255 8.708 15.128 17 H ILE 4 H ILE 4 -18.776 9.123 10.754 18 HA ILE 4 HA ILE 4 -20.463 7.472 8.931 19 HB ILE 4 HB ILE 4 -19.141 8.743 7.175 20 HG12 ILE 4 HG12 ILE 4 -18.276 10.724 9.208 21 HG13 ILE 4 HG13 ILE 4 -17.349 9.224 9.181 22 HG21 ILE 4 HG21 ILE 4 -21.369 9.471 8.085 23 HG22 ILE 4 HG22 ILE 4 -20.370 10.801 7.499 24 HG23 ILE 4 HG23 ILE 4 -20.509 10.499 9.231 25 HD11 ILE 4 HD11 ILE 4 -16.909 9.495 6.794 26 HD12 ILE 4 HD12 ILE 4 -16.404 10.951 7.652 27 HD13 ILE 4 HD13 ILE 4 -17.917 10.941 6.747 28 H ILE 5 H ILE 5 -19.546 5.423 9.758 29 HA ILE 5 HA ILE 5 -16.775 4.890 8.729 30 HB ILE 5 HB ILE 5 -17.256 4.896 11.247 31 HG12 ILE 5 HG12 ILE 5 -16.328 2.187 10.311 32 HG13 ILE 5 HG13 ILE 5 -15.385 3.630 9.937 33 HG21 ILE 5 HG21 ILE 5 -18.559 2.232 10.637 34 HG22 ILE 5 HG22 ILE 5 -19.483 3.701 10.957 35 HG23 ILE 5 HG23 ILE 5 -18.428 3.034 12.202 36 HD11 ILE 5 HD11 ILE 5 -15.104 4.155 12.262 37 HD12 ILE 5 HD12 ILE 5 -14.724 2.443 12.081 38 HD13 ILE 5 HD13 ILE 5 -16.283 2.934 12.741 39 H GLY 6 H GLY 6 -19.670 4.540 7.552 40 HA2 GLY 6 HA2 GLY 6 -19.828 1.623 7.205 41 HA3 GLY 6 HA3 GLY 6 -20.930 2.811 6.509 42 H GLY 7 H GLY 7 -17.507 1.782 6.247 43 HA2 GLY 7 HA2 GLY 7 -17.765 1.678 3.318 44 HA3 GLY 7 HA3 GLY 7 -16.653 2.906 3.923 45 H LEU 8 H LEU 8 -17.357 -0.585 4.247 46 HA LEU 8 HA LEU 8 -14.471 -1.048 4.882 47 HB2 LEU 8 HB2 LEU 8 -16.976 -2.734 5.189 48 HB3 LEU 8 HB3 LEU 8 -15.361 -3.258 5.666 49 HG LEU 8 HG LEU 8 -16.545 -0.682 6.706 50 HD11 LEU 8 HD11 LEU 8 -16.877 -3.493 7.780 51 HD12 LEU 8 HD12 LEU 8 -18.149 -2.344 7.363 52 HD13 LEU 8 HD13 LEU 8 -17.121 -2.050 8.765 53 HD21 LEU 8 HD21 LEU 8 -14.492 -2.590 7.866 54 HD22 LEU 8 HD22 LEU 8 -14.897 -0.981 8.463 55 HD23 LEU 8 HD23 LEU 8 -14.081 -1.167 6.911 56 H THR 9 H THR 9 -16.033 -0.756 2.104 57 HA THR 9 HA THR 9 -15.295 -3.355 0.872 58 HB THR 9 HB THR 9 -16.502 -0.882 -0.404 59 HG1 THR 9 HG1 THR 9 -18.398 -1.456 0.375 60 HG21 THR 9 HG21 THR 9 -15.682 -2.686 -1.906 61 HG22 THR 9 HG22 THR 9 -17.433 -2.498 -1.986 62 HG23 THR 9 HG23 THR 9 -16.731 -3.831 -1.070 63 H ILE 10 H ILE 10 -12.949 -2.542 1.566 64 HA ILE 10 HA ILE 10 -11.803 -0.823 -0.606 65 HB ILE 10 HB ILE 10 -9.975 -0.438 1.005 66 HG12 ILE 10 HG12 ILE 10 -11.104 -1.538 3.388 67 HG13 ILE 10 HG13 ILE 10 -11.021 -2.834 2.194 68 HG21 ILE 10 HG21 ILE 10 -12.495 -0.126 2.612 69 HG22 ILE 10 HG22 ILE 10 -12.314 0.752 1.093 70 HG23 ILE 10 HG23 ILE 10 -11.160 1.008 2.401 71 HD11 ILE 10 HD11 ILE 10 -8.726 -1.016 2.987 72 HD12 ILE 10 HD12 ILE 10 -8.644 -2.301 1.781 73 HD13 ILE 10 HD13 ILE 10 -8.922 -2.700 3.477 74 HA PRO 11 HA PRO 11 -9.607 -4.289 -2.186 75 HB2 PRO 11 HB2 PRO 11 -7.293 -3.128 -3.067 76 HB3 PRO 11 HB3 PRO 11 -8.855 -2.908 -3.878 77 HG2 PRO 11 HG2 PRO 11 -7.403 -1.079 -2.042 78 HG3 PRO 11 HG3 PRO 11 -8.380 -0.707 -3.470 79 HD2 PRO 11 HD2 PRO 11 -9.257 -0.427 -0.887 80 HD3 PRO 11 HD3 PRO 11 -10.326 -0.675 -2.285 81 HA PRO 12 HA PRO 12 -7.090 -5.229 1.449 82 HB2 PRO 12 HB2 PRO 12 -7.186 -7.946 1.136 83 HB3 PRO 12 HB3 PRO 12 -8.503 -7.010 1.868 84 HG2 PRO 12 HG2 PRO 12 -8.270 -8.119 -0.881 85 HG3 PRO 12 HG3 PRO 12 -9.689 -7.991 0.171 86 HD2 PRO 12 HD2 PRO 12 -9.172 -6.291 -1.911 87 HD3 PRO 12 HD3 PRO 12 -10.146 -5.855 -0.491 88 H VAL 13 H VAL 13 -6.687 -6.747 -1.764 89 HA VAL 13 HA VAL 13 -3.981 -7.630 -1.404 90 HB VAL 13 HB VAL 13 -4.011 -7.745 -3.898 91 HG11 VAL 13 HG11 VAL 13 -5.071 -9.511 -2.497 92 HG12 VAL 13 HG12 VAL 13 -5.854 -9.333 -4.068 93 HG13 VAL 13 HG13 VAL 13 -6.608 -8.656 -2.626 94 HG21 VAL 13 HG21 VAL 13 -6.108 -7.065 -5.070 95 HG22 VAL 13 HG22 VAL 13 -5.245 -5.688 -4.385 96 HG23 VAL 13 HG23 VAL 13 -6.676 -6.323 -3.574 97 H VAL 14 H VAL 14 -5.326 -4.525 -2.539 98 HA VAL 14 HA VAL 14 -2.906 -3.344 -3.493 99 HB VAL 14 HB VAL 14 -5.444 -2.247 -2.241 100 HG11 VAL 14 HG11 VAL 14 -3.047 -0.808 -3.381 101 HG12 VAL 14 HG12 VAL 14 -3.906 -0.486 -1.875 102 HG13 VAL 14 HG13 VAL 14 -4.653 -0.081 -3.421 103 HG21 VAL 14 HG21 VAL 14 -5.963 -1.669 -4.587 104 HG22 VAL 14 HG22 VAL 14 -5.657 -3.399 -4.422 105 HG23 VAL 14 HG23 VAL 14 -4.416 -2.343 -5.098 106 H ALA 15 H ALA 15 -4.434 -3.143 -0.251 107 HA ALA 15 HA ALA 15 -2.321 -1.640 0.996 108 HB1 ALA 15 HB1 ALA 15 -4.700 -1.978 1.783 109 HB2 ALA 15 HB2 ALA 15 -3.490 -2.257 3.036 110 HB3 ALA 15 HB3 ALA 15 -4.258 -3.626 2.232 111 H LEU 16 H LEU 16 -2.874 -5.116 0.524 112 HA LEU 16 HA LEU 16 -0.813 -6.102 2.269 113 HB2 LEU 16 HB2 LEU 16 -2.781 -7.308 1.161 114 HB3 LEU 16 HB3 LEU 16 -1.812 -7.335 -0.313 115 HG LEU 16 HG LEU 16 0.034 -8.337 1.299 116 HD11 LEU 16 HD11 LEU 16 -2.562 -9.109 2.667 117 HD12 LEU 16 HD12 LEU 16 -1.332 -8.043 3.343 118 HD13 LEU 16 HD13 LEU 16 -0.964 -9.744 3.057 119 HD21 LEU 16 HD21 LEU 16 -2.320 -9.676 -0.009 120 HD22 LEU 16 HD22 LEU 16 -1.155 -10.651 0.886 121 HD23 LEU 16 HD23 LEU 16 -0.623 -9.688 -0.493 122 H VAL 17 H VAL 17 -0.801 -5.174 -1.183 123 HA VAL 17 HA VAL 17 1.902 -6.024 -1.741 124 HB VAL 17 HB VAL 17 -0.005 -4.013 -2.981 125 HG11 VAL 17 HG11 VAL 17 1.555 -4.299 -5.008 126 HG12 VAL 17 HG12 VAL 17 2.744 -4.916 -3.860 127 HG13 VAL 17 HG13 VAL 17 2.136 -3.267 -3.701 128 HG21 VAL 17 HG21 VAL 17 0.891 -6.607 -4.205 129 HG22 VAL 17 HG22 VAL 17 -0.627 -5.737 -4.425 130 HG23 VAL 17 HG23 VAL 17 -0.335 -6.636 -2.937 131 H VAL 18 H VAL 18 0.499 -2.991 -0.521 132 HA VAL 18 HA VAL 18 2.855 -1.356 -0.743 133 HB VAL 18 HB VAL 18 0.394 -1.325 1.036 134 HG11 VAL 18 HG11 VAL 18 1.034 1.081 1.468 135 HG12 VAL 18 HG12 VAL 18 2.614 0.723 0.770 136 HG13 VAL 18 HG13 VAL 18 2.094 -0.098 2.241 137 HG21 VAL 18 HG21 VAL 18 0.335 -0.954 -1.536 138 HG22 VAL 18 HG22 VAL 18 1.123 0.584 -1.186 139 HG23 VAL 18 HG23 VAL 18 -0.471 0.235 -0.514 140 H MET 19 H MET 19 1.522 -3.173 2.062 141 HA MET 19 HA MET 19 3.788 -2.610 3.776 142 HB2 MET 19 HB2 MET 19 2.683 -4.193 5.269 143 HB3 MET 19 HB3 MET 19 1.459 -3.181 4.507 144 HG2 MET 19 HG2 MET 19 1.048 -4.975 2.836 145 HG3 MET 19 HG3 MET 19 2.232 -5.991 3.657 146 HE1 MET 19 HE1 MET 19 0.788 -7.920 4.111 147 HE2 MET 19 HE2 MET 19 0.076 -8.011 5.720 148 HE3 MET 19 HE3 MET 19 1.753 -7.501 5.533 149 H SER 20 H SER 20 3.004 -5.259 1.534 150 HA SER 20 HA SER 20 5.044 -7.103 2.367 151 HB2 SER 20 HB2 SER 20 3.353 -6.595 -0.047 152 HB3 SER 20 HB3 SER 20 4.739 -7.663 -0.242 153 HG SER 20 HG SER 20 2.498 -8.433 0.594 154 H ARG 21 H ARG 21 5.036 -4.504 -0.095 155 HA ARG 21 HA ARG 21 7.708 -4.910 -1.054 156 HB2 ARG 21 HB2 ARG 21 5.821 -3.544 -2.062 157 HB3 ARG 21 HB3 ARG 21 6.153 -2.313 -0.843 158 HG2 ARG 21 HG2 ARG 21 8.526 -3.273 -2.328 159 HG3 ARG 21 HG3 ARG 21 7.352 -2.383 -3.296 160 HD2 ARG 21 HD2 ARG 21 8.344 -1.332 -0.630 161 HD3 ARG 21 HD3 ARG 21 9.159 -0.955 -2.160 162 HE ARG 21 HE ARG 21 6.603 0.128 -1.308 163 HH11 ARG 21 HH11 ARG 21 8.684 1.266 -3.282 164 HH12 ARG 21 HH12 ARG 21 7.761 1.276 -4.747 165 HH21 ARG 21 HH21 ARG 21 5.290 -0.833 -3.508 166 HH22 ARG 21 HH22 ARG 21 5.828 0.083 -4.875 167 H PHE 22 H PHE 22 6.400 -3.007 1.660 168 HA PHE 22 HA PHE 22 8.757 -1.563 2.373 169 HB2 PHE 22 HB2 PHE 22 6.181 -2.386 3.573 170 HB3 PHE 22 HB3 PHE 22 7.458 -2.069 4.746 171 HD1 PHE 22 HD1 PHE 22 5.960 -0.590 1.636 172 HD2 PHE 22 HD2 PHE 22 7.837 0.131 5.431 173 HE1 PHE 22 HE1 PHE 22 5.633 1.849 1.334 174 HE2 PHE 22 HE2 PHE 22 7.510 2.570 5.128 175 HZ PHE 22 HZ PHE 22 6.408 3.428 3.079 176 H GLY 23 H GLY 23 7.576 -4.767 3.471 177 HA2 GLY 23 HA2 GLY 23 9.876 -5.299 5.146 178 HA3 GLY 23 HA3 GLY 23 8.699 -6.498 4.604 179 H PHE 24 H PHE 24 8.978 -6.132 1.802 180 HA PHE 24 HA PHE 24 11.178 -7.840 1.173 181 HB2 PHE 24 HB2 PHE 24 8.939 -6.787 -0.078 182 HB3 PHE 24 HB3 PHE 24 10.262 -6.024 -0.957 183 HD1 PHE 24 HD1 PHE 24 12.294 -7.698 -1.507 184 HD2 PHE 24 HD2 PHE 24 8.217 -8.870 -0.825 185 HE1 PHE 24 HE1 PHE 24 12.694 -9.808 -2.745 186 HE2 PHE 24 HE2 PHE 24 8.619 -10.982 -2.063 187 HZ PHE 24 HZ PHE 24 10.857 -11.450 -3.024 188 H PHE 25 H PHE 25 10.805 -4.299 0.761 189 HA PHE 25 HA PHE 25 13.463 -3.850 -0.277 190 HB2 PHE 25 HB2 PHE 25 11.181 -2.260 0.822 191 HB3 PHE 25 HB3 PHE 25 12.748 -1.459 0.723 192 HD1 PHE 25 HD1 PHE 25 10.706 -3.799 -1.406 193 HD2 PHE 25 HD2 PHE 25 13.134 -0.258 -1.229 194 HE1 PHE 25 HE1 PHE 25 10.383 -3.456 -3.838 195 HE2 PHE 25 HE2 PHE 25 12.807 0.085 -3.662 196 HZ PHE 25 HZ PHE 25 11.433 -1.514 -4.967 197 H ALA 26 H ALA 26 12.076 -3.703 3.015 198 HA ALA 26 HA ALA 26 14.394 -2.670 4.353 199 HB1 ALA 26 HB1 ALA 26 13.244 -3.692 6.351 200 HB2 ALA 26 HB2 ALA 26 12.112 -4.464 5.240 201 HB3 ALA 26 HB3 ALA 26 12.177 -2.705 5.353 202 H HIS 27 H HIS 27 13.357 -6.010 3.622 203 HA HIS 27 HA HIS 27 15.757 -7.151 4.918 204 HB2 HIS 27 HB2 HIS 27 13.187 -7.972 4.585 205 HB3 HIS 27 HB3 HIS 27 13.950 -8.792 3.224 206 HD1 HIS 27 HD1 HIS 27 16.379 -10.012 4.028 207 HD2 HIS 27 HD2 HIS 27 13.385 -9.475 6.881 208 HE1 HIS 27 HE1 HIS 27 16.889 -11.624 5.915 209 H LEU 28 H LEU 28 15.286 -5.652 1.976 210 HA LEU 28 HA LEU 28 16.628 -7.543 0.202 211 HB2 LEU 28 HB2 LEU 28 14.997 -5.388 -0.111 212 HB3 LEU 28 HB3 LEU 28 16.562 -4.630 -0.400 213 HG LEU 28 HG LEU 28 16.981 -6.703 -1.953 214 HD11 LEU 28 HD11 LEU 28 14.986 -7.655 -2.926 215 HD12 LEU 28 HD12 LEU 28 13.953 -6.557 -2.009 216 HD13 LEU 28 HD13 LEU 28 14.853 -7.824 -1.175 217 HD21 LEU 28 HD21 LEU 28 15.130 -4.390 -2.596 218 HD22 LEU 28 HD22 LEU 28 15.799 -5.461 -3.826 219 HD23 LEU 28 HD23 LEU 28 16.874 -4.466 -2.845 220 H LEU 29 H LEU 29 17.600 -4.327 1.486 221 HA LEU 29 HA LEU 29 19.711 -3.468 2.073 222 HB2 LEU 29 HB2 LEU 29 19.693 -6.310 2.684 223 HB3 LEU 29 HB3 LEU 29 21.315 -5.777 2.247 224 HG LEU 29 HG LEU 29 20.934 -3.816 3.861 225 HD11 LEU 29 HD11 LEU 29 19.247 -4.222 5.619 226 HD12 LEU 29 HD12 LEU 29 18.701 -5.664 4.763 227 HD13 LEU 29 HD13 LEU 29 18.484 -4.071 4.037 228 HD21 LEU 29 HD21 LEU 29 21.528 -5.203 5.821 229 HD22 LEU 29 HD22 LEU 29 22.393 -5.738 4.381 230 HD23 LEU 29 HD23 LEU 29 20.995 -6.646 4.958 231 HA PRO 30 HA PRO 30 21.984 -3.254 -1.682 232 HB2 PRO 30 HB2 PRO 30 24.414 -2.357 -0.802 233 HB3 PRO 30 HB3 PRO 30 22.964 -1.337 -0.845 234 HG2 PRO 30 HG2 PRO 30 24.249 -2.697 1.455 235 HG3 PRO 30 HG3 PRO 30 23.420 -1.137 1.384 236 HD2 PRO 30 HD2 PRO 30 22.318 -3.457 2.383 237 HD3 PRO 30 HD3 PRO 30 21.385 -2.067 1.790 238 H ARG 31 H ARG 31 21.962 -5.683 -1.892 239 HA ARG 31 HA ARG 31 24.727 -6.748 -1.924 240 HB2 ARG 31 HB2 ARG 31 23.595 -7.171 0.343 241 HB3 ARG 31 HB3 ARG 31 22.502 -8.252 -0.524 242 HG2 ARG 31 HG2 ARG 31 24.420 -9.570 -1.327 243 HG3 ARG 31 HG3 ARG 31 25.528 -8.483 -0.490 244 HD2 ARG 31 HD2 ARG 31 23.335 -9.998 0.961 245 HD3 ARG 31 HD3 ARG 31 24.982 -10.630 0.776 246 HE ARG 31 HE ARG 31 25.631 -8.271 1.772 247 HH11 ARG 31 HH11 ARG 31 22.694 -7.724 2.360 248 HH12 ARG 31 HH12 ARG 31 22.592 -8.173 4.031 249 HH21 ARG 31 HH21 ARG 31 25.599 -9.922 4.010 250 HH22 ARG 31 HH22 ARG 31 24.246 -9.423 4.970 Start of MODEL 34 1 HA ASP 1 HA ASP 1 -9.824 6.846 -20.706 2 HB2 ASP 1 HB2 ASP 1 -7.745 5.065 -19.855 3 HB3 ASP 1 HB3 ASP 1 -8.742 4.215 -21.036 4 H THR 2 H THR 2 -10.615 4.703 -22.207 5 HA THR 2 HA THR 2 -13.250 4.061 -21.074 6 HB THR 2 HB THR 2 -12.626 4.722 -23.487 7 HG1 THR 2 HG1 THR 2 -14.419 3.761 -24.091 8 HG21 THR 2 HG21 THR 2 -12.095 1.789 -23.876 9 HG22 THR 2 HG22 THR 2 -10.768 2.872 -23.453 10 HG23 THR 2 HG23 THR 2 -11.689 3.142 -24.932 11 H GLU 3 H GLU 3 -14.028 1.693 -21.350 12 HA GLU 3 HA GLU 3 -13.887 -0.539 -20.605 13 HB2 GLU 3 HB2 GLU 3 -11.243 -0.036 -21.992 14 HB3 GLU 3 HB3 GLU 3 -11.680 -1.629 -21.377 15 HG2 GLU 3 HG2 GLU 3 -13.370 -0.021 -23.316 16 HG3 GLU 3 HG3 GLU 3 -12.275 -1.320 -23.788 17 H ILE 4 H ILE 4 -13.805 0.729 -18.385 18 HA ILE 4 HA ILE 4 -11.214 0.445 -16.965 19 HB ILE 4 HB ILE 4 -13.948 1.529 -16.200 20 HG12 ILE 4 HG12 ILE 4 -11.594 3.305 -16.305 21 HG13 ILE 4 HG13 ILE 4 -12.043 2.619 -17.866 22 HG21 ILE 4 HG21 ILE 4 -11.316 1.559 -14.690 23 HG22 ILE 4 HG22 ILE 4 -12.798 0.739 -14.197 24 HG23 ILE 4 HG23 ILE 4 -12.736 2.501 -14.239 25 HD11 ILE 4 HD11 ILE 4 -14.401 3.365 -17.453 26 HD12 ILE 4 HD12 ILE 4 -13.256 4.701 -17.563 27 HD13 ILE 4 HD13 ILE 4 -13.844 4.171 -15.987 28 H ILE 5 H ILE 5 -14.538 -0.844 -16.840 29 HA ILE 5 HA ILE 5 -15.463 -2.536 -15.440 30 HB ILE 5 HB ILE 5 -14.760 -3.548 -17.529 31 HG12 ILE 5 HG12 ILE 5 -13.798 -5.491 -15.444 32 HG13 ILE 5 HG13 ILE 5 -15.475 -4.948 -15.436 33 HG21 ILE 5 HG21 ILE 5 -12.449 -2.991 -17.701 34 HG22 ILE 5 HG22 ILE 5 -12.503 -4.749 -17.578 35 HG23 ILE 5 HG23 ILE 5 -12.067 -3.780 -16.172 36 HD11 ILE 5 HD11 ILE 5 -15.574 -5.602 -17.895 37 HD12 ILE 5 HD12 ILE 5 -15.421 -6.945 -16.761 38 HD13 ILE 5 HD13 ILE 5 -14.011 -6.385 -17.661 39 H GLY 6 H GLY 6 -14.681 -1.428 -13.399 40 HA2 GLY 6 HA2 GLY 6 -12.715 -3.184 -11.982 41 HA3 GLY 6 HA3 GLY 6 -12.752 -1.441 -11.720 42 H GLY 7 H GLY 7 -13.584 -4.171 -10.220 43 HA2 GLY 7 HA2 GLY 7 -14.929 -3.452 -8.071 44 HA3 GLY 7 HA3 GLY 7 -16.231 -3.226 -9.238 45 H LEU 8 H LEU 8 -13.834 -5.727 -8.297 46 HA LEU 8 HA LEU 8 -15.928 -7.747 -7.984 47 HB2 LEU 8 HB2 LEU 8 -14.723 -7.250 -10.553 48 HB3 LEU 8 HB3 LEU 8 -14.224 -8.846 -9.994 49 HG LEU 8 HG LEU 8 -17.077 -8.243 -9.544 50 HD11 LEU 8 HD11 LEU 8 -17.691 -8.601 -11.911 51 HD12 LEU 8 HD12 LEU 8 -15.984 -8.568 -12.355 52 HD13 LEU 8 HD13 LEU 8 -16.757 -7.119 -11.712 53 HD21 LEU 8 HD21 LEU 8 -15.572 -10.534 -10.850 54 HD22 LEU 8 HD22 LEU 8 -17.283 -10.548 -10.425 55 HD23 LEU 8 HD23 LEU 8 -16.061 -10.458 -9.157 56 H THR 9 H THR 9 -13.886 -6.782 -6.258 57 HA THR 9 HA THR 9 -12.471 -9.285 -5.650 58 HB THR 9 HB THR 9 -11.111 -8.177 -7.422 59 HG1 THR 9 HG1 THR 9 -9.514 -8.979 -6.366 60 HG21 THR 9 HG21 THR 9 -9.930 -6.041 -6.788 61 HG22 THR 9 HG22 THR 9 -11.025 -5.912 -5.411 62 HG23 THR 9 HG23 THR 9 -11.663 -5.858 -7.054 63 H ILE 10 H ILE 10 -10.473 -7.768 -4.025 64 HA ILE 10 HA ILE 10 -12.278 -6.533 -1.978 65 HB ILE 10 HB ILE 10 -10.854 -7.757 -0.282 66 HG12 ILE 10 HG12 ILE 10 -9.898 -9.296 -2.720 67 HG13 ILE 10 HG13 ILE 10 -8.916 -8.125 -1.839 68 HG21 ILE 10 HG21 ILE 10 -12.159 -9.663 -2.230 69 HG22 ILE 10 HG22 ILE 10 -13.097 -8.560 -1.223 70 HG23 ILE 10 HG23 ILE 10 -12.077 -9.787 -0.473 71 HD11 ILE 10 HD11 ILE 10 -9.338 -9.498 0.250 72 HD12 ILE 10 HD12 ILE 10 -8.353 -10.298 -0.974 73 HD13 ILE 10 HD13 ILE 10 -10.053 -10.727 -0.791 74 HA PRO 11 HA PRO 11 -9.335 -3.278 -2.007 75 HB2 PRO 11 HB2 PRO 11 -9.780 -2.215 0.473 76 HB3 PRO 11 HB3 PRO 11 -10.884 -2.014 -0.902 77 HG2 PRO 11 HG2 PRO 11 -11.064 -3.875 1.411 78 HG3 PRO 11 HG3 PRO 11 -12.342 -2.974 0.584 79 HD2 PRO 11 HD2 PRO 11 -11.869 -5.625 0.175 80 HD3 PRO 11 HD3 PRO 11 -12.584 -4.554 -1.049 81 HA PRO 12 HA PRO 12 -6.701 -4.576 1.885 82 HB2 PRO 12 HB2 PRO 12 -6.694 -7.270 2.396 83 HB3 PRO 12 HB3 PRO 12 -7.746 -6.110 3.232 84 HG2 PRO 12 HG2 PRO 12 -8.366 -7.911 0.938 85 HG3 PRO 12 HG3 PRO 12 -9.336 -7.542 2.374 86 HD2 PRO 12 HD2 PRO 12 -9.828 -6.404 -0.002 87 HD3 PRO 12 HD3 PRO 12 -10.081 -5.532 1.522 88 H VAL 13 H VAL 13 -7.107 -6.529 -1.041 89 HA VAL 13 HA VAL 13 -4.504 -7.705 -1.157 90 HB VAL 13 HB VAL 13 -4.962 -7.832 -3.601 91 HG11 VAL 13 HG11 VAL 13 -7.511 -8.686 -3.132 92 HG12 VAL 13 HG12 VAL 13 -6.862 -8.646 -1.492 93 HG13 VAL 13 HG13 VAL 13 -6.067 -9.615 -2.732 94 HG21 VAL 13 HG21 VAL 13 -7.418 -6.910 -4.110 95 HG22 VAL 13 HG22 VAL 13 -5.992 -5.895 -4.320 96 HG23 VAL 13 HG23 VAL 13 -6.971 -5.746 -2.863 97 H VAL 14 H VAL 14 -5.627 -4.471 -2.169 98 HA VAL 14 HA VAL 14 -3.160 -3.650 -3.429 99 HB VAL 14 HB VAL 14 -5.392 -2.069 -2.096 100 HG11 VAL 14 HG11 VAL 14 -4.642 -0.215 -3.534 101 HG12 VAL 14 HG12 VAL 14 -3.330 -1.218 -4.154 102 HG13 VAL 14 HG13 VAL 14 -3.342 -0.729 -2.459 103 HG21 VAL 14 HG21 VAL 14 -5.030 -3.314 -4.804 104 HG22 VAL 14 HG22 VAL 14 -5.926 -1.801 -4.678 105 HG23 VAL 14 HG23 VAL 14 -6.479 -3.228 -3.800 106 H ALA 15 H ALA 15 -4.480 -3.229 -0.132 107 HA ALA 15 HA ALA 15 -2.319 -1.689 0.950 108 HB1 ALA 15 HB1 ALA 15 -4.318 -3.630 2.152 109 HB2 ALA 15 HB2 ALA 15 -4.470 -1.876 2.049 110 HB3 ALA 15 HB3 ALA 15 -3.267 -2.596 3.120 111 H LEU 16 H LEU 16 -2.798 -5.199 0.598 112 HA LEU 16 HA LEU 16 -0.543 -6.032 2.194 113 HB2 LEU 16 HB2 LEU 16 -2.647 -7.280 1.209 114 HB3 LEU 16 HB3 LEU 16 -1.598 -7.547 -0.184 115 HG LEU 16 HG LEU 16 0.144 -8.360 1.580 116 HD11 LEU 16 HD11 LEU 16 -1.422 -7.518 3.462 117 HD12 LEU 16 HD12 LEU 16 -0.691 -9.109 3.664 118 HD13 LEU 16 HD13 LEU 16 -2.369 -8.970 3.140 119 HD21 LEU 16 HD21 LEU 16 -2.363 -9.956 0.956 120 HD22 LEU 16 HD22 LEU 16 -0.829 -10.643 1.491 121 HD23 LEU 16 HD23 LEU 16 -0.933 -9.831 -0.070 122 H VAL 17 H VAL 17 -0.933 -5.349 -1.299 123 HA VAL 17 HA VAL 17 1.692 -6.156 -2.133 124 HB VAL 17 HB VAL 17 -0.368 -4.179 -3.160 125 HG11 VAL 17 HG11 VAL 17 1.017 -4.471 -5.349 126 HG12 VAL 17 HG12 VAL 17 2.338 -4.916 -4.268 127 HG13 VAL 17 HG13 VAL 17 1.592 -3.323 -4.142 128 HG21 VAL 17 HG21 VAL 17 -0.953 -6.586 -3.209 129 HG22 VAL 17 HG22 VAL 17 0.526 -6.924 -4.108 130 HG23 VAL 17 HG23 VAL 17 -0.747 -5.947 -4.840 131 H VAL 18 H VAL 18 0.436 -3.095 -0.820 132 HA VAL 18 HA VAL 18 2.871 -1.567 -1.241 133 HB VAL 18 HB VAL 18 0.475 -1.262 0.606 134 HG11 VAL 18 HG11 VAL 18 2.390 0.004 1.486 135 HG12 VAL 18 HG12 VAL 18 1.190 1.105 0.810 136 HG13 VAL 18 HG13 VAL 18 2.653 0.731 -0.099 137 HG21 VAL 18 HG21 VAL 18 -0.093 -1.170 -1.773 138 HG22 VAL 18 HG22 VAL 18 1.203 -0.010 -2.063 139 HG23 VAL 18 HG23 VAL 18 -0.192 0.451 -1.086 140 H MET 19 H MET 19 1.532 -3.472 1.453 141 HA MET 19 HA MET 19 3.609 -2.816 3.364 142 HB2 MET 19 HB2 MET 19 1.446 -4.896 3.066 143 HB3 MET 19 HB3 MET 19 2.599 -5.003 4.395 144 HG2 MET 19 HG2 MET 19 1.952 -2.863 5.253 145 HG3 MET 19 HG3 MET 19 1.032 -2.485 3.796 146 HE1 MET 19 HE1 MET 19 -1.230 -2.245 4.034 147 HE2 MET 19 HE2 MET 19 -0.880 -1.805 5.704 148 HE3 MET 19 HE3 MET 19 -2.235 -2.873 5.348 149 H SER 20 H SER 20 3.094 -5.568 1.118 150 HA SER 20 HA SER 20 5.341 -7.140 1.933 151 HB2 SER 20 HB2 SER 20 4.983 -8.256 -0.208 152 HB3 SER 20 HB3 SER 20 3.417 -7.831 0.474 153 HG SER 20 HG SER 20 4.802 -6.736 -1.705 154 H ARG 21 H ARG 21 5.070 -4.438 -0.369 155 HA ARG 21 HA ARG 21 7.700 -4.619 -1.509 156 HB2 ARG 21 HB2 ARG 21 5.631 -3.272 -2.231 157 HB3 ARG 21 HB3 ARG 21 6.092 -2.101 -0.996 158 HG2 ARG 21 HG2 ARG 21 8.368 -1.976 -2.085 159 HG3 ARG 21 HG3 ARG 21 7.725 -2.961 -3.400 160 HD2 ARG 21 HD2 ARG 21 6.224 -0.487 -2.575 161 HD3 ARG 21 HD3 ARG 21 7.658 -0.330 -3.610 162 HE ARG 21 HE ARG 21 5.436 -2.211 -4.325 163 HH11 ARG 21 HH11 ARG 21 4.935 0.484 -5.369 164 HH12 ARG 21 HH12 ARG 21 5.746 0.481 -6.899 165 HH21 ARG 21 HH21 ARG 21 7.680 -2.313 -6.157 166 HH22 ARG 21 HH22 ARG 21 7.306 -1.113 -7.348 167 H PHE 22 H PHE 22 6.432 -2.854 1.330 168 HA PHE 22 HA PHE 22 8.886 -1.527 2.042 169 HB2 PHE 22 HB2 PHE 22 6.500 -1.047 2.791 170 HB3 PHE 22 HB3 PHE 22 6.635 -2.443 3.860 171 HD1 PHE 22 HD1 PHE 22 8.111 0.884 3.067 172 HD2 PHE 22 HD2 PHE 22 7.828 -2.316 5.919 173 HE1 PHE 22 HE1 PHE 22 9.276 2.282 4.752 174 HE2 PHE 22 HE2 PHE 22 8.993 -0.918 7.604 175 HZ PHE 22 HZ PHE 22 9.717 1.381 7.021 176 H GLY 23 H GLY 23 7.477 -4.679 2.967 177 HA2 GLY 23 HA2 GLY 23 9.432 -5.375 4.943 178 HA3 GLY 23 HA3 GLY 23 8.433 -6.528 4.055 179 H PHE 24 H PHE 24 9.290 -5.935 1.423 180 HA PHE 24 HA PHE 24 11.673 -7.517 1.200 181 HB2 PHE 24 HB2 PHE 24 9.721 -6.194 -0.476 182 HB3 PHE 24 HB3 PHE 24 11.338 -5.912 -1.120 183 HD1 PHE 24 HD1 PHE 24 12.895 -7.945 -1.399 184 HD2 PHE 24 HD2 PHE 24 8.657 -8.281 -0.775 185 HE1 PHE 24 HE1 PHE 24 12.947 -10.258 -2.289 186 HE2 PHE 24 HE2 PHE 24 8.710 -10.594 -1.665 187 HZ PHE 24 HZ PHE 24 10.854 -11.584 -2.422 188 H PHE 25 H PHE 25 11.132 -3.991 1.150 189 HA PHE 25 HA PHE 25 13.816 -3.221 0.462 190 HB2 PHE 25 HB2 PHE 25 11.532 -1.927 0.571 191 HB3 PHE 25 HB3 PHE 25 11.982 -1.632 2.250 192 HD1 PHE 25 HD1 PHE 25 14.145 -0.465 2.778 193 HD2 PHE 25 HD2 PHE 25 12.623 -0.783 -1.227 194 HE1 PHE 25 HE1 PHE 25 15.667 1.354 2.055 195 HE2 PHE 25 HE2 PHE 25 14.144 1.037 -1.950 196 HZ PHE 25 HZ PHE 25 15.667 2.106 -0.309 197 H ALA 26 H ALA 26 12.218 -3.876 3.579 198 HA ALA 26 HA ALA 26 14.518 -3.072 5.193 199 HB1 ALA 26 HB1 ALA 26 12.439 -2.872 6.252 200 HB2 ALA 26 HB2 ALA 26 13.027 -4.395 6.915 201 HB3 ALA 26 HB3 ALA 26 11.851 -4.402 5.601 202 H HIS 27 H HIS 27 13.504 -6.019 3.589 203 HA HIS 27 HA HIS 27 15.355 -7.702 5.191 204 HB2 HIS 27 HB2 HIS 27 12.919 -8.211 4.331 205 HB3 HIS 27 HB3 HIS 27 13.737 -8.599 2.817 206 HD1 HIS 27 HD1 HIS 27 16.242 -10.009 3.756 207 HD2 HIS 27 HD2 HIS 27 12.521 -10.676 5.515 208 HE1 HIS 27 HE1 HIS 27 16.374 -12.276 4.877 209 H LEU 28 H LEU 28 15.024 -6.347 1.920 210 HA LEU 28 HA LEU 28 17.411 -7.798 0.942 211 HB2 LEU 28 HB2 LEU 28 15.124 -7.071 -0.223 212 HB3 LEU 28 HB3 LEU 28 16.032 -5.595 -0.546 213 HG LEU 28 HG LEU 28 17.771 -7.761 -1.134 214 HD11 LEU 28 HD11 LEU 28 15.020 -8.066 -2.381 215 HD12 LEU 28 HD12 LEU 28 15.773 -9.199 -1.258 216 HD13 LEU 28 HD13 LEU 28 16.465 -8.956 -2.863 217 HD21 LEU 28 HD21 LEU 28 16.182 -5.923 -2.957 218 HD22 LEU 28 HD22 LEU 28 17.625 -6.826 -3.418 219 HD23 LEU 28 HD23 LEU 28 17.736 -5.538 -2.218 220 H LEU 29 H LEU 29 17.689 -5.763 3.155 221 HA LEU 29 HA LEU 29 19.649 -3.961 1.783 222 HB2 LEU 29 HB2 LEU 29 17.349 -2.992 2.511 223 HB3 LEU 29 HB3 LEU 29 17.964 -3.153 4.157 224 HG LEU 29 HG LEU 29 20.066 -1.899 3.191 225 HD11 LEU 29 HD11 LEU 29 17.878 -1.309 1.187 226 HD12 LEU 29 HD12 LEU 29 19.529 -1.840 0.871 227 HD13 LEU 29 HD13 LEU 29 19.227 -0.204 1.453 228 HD21 LEU 29 HD21 LEU 29 19.166 0.142 4.007 229 HD22 LEU 29 HD22 LEU 29 18.270 -1.109 4.869 230 HD23 LEU 29 HD23 LEU 29 17.531 -0.281 3.498 231 HA PRO 30 HA PRO 30 22.159 -5.848 4.965 232 HB2 PRO 30 HB2 PRO 30 24.513 -4.651 4.248 233 HB3 PRO 30 HB3 PRO 30 23.820 -6.024 3.363 234 HG2 PRO 30 HG2 PRO 30 23.815 -3.137 2.681 235 HG3 PRO 30 HG3 PRO 30 23.922 -4.549 1.622 236 HD2 PRO 30 HD2 PRO 30 21.639 -3.057 2.028 237 HD3 PRO 30 HD3 PRO 30 21.663 -4.736 1.446 238 H ARG 31 H ARG 31 20.814 -4.367 6.451 239 HA ARG 31 HA ARG 31 20.743 -2.818 8.225 240 HB2 ARG 31 HB2 ARG 31 23.153 -4.004 8.259 241 HB3 ARG 31 HB3 ARG 31 23.683 -2.351 7.944 242 HG2 ARG 31 HG2 ARG 31 22.361 -1.580 9.908 243 HG3 ARG 31 HG3 ARG 31 21.930 -3.257 10.248 244 HD2 ARG 31 HD2 ARG 31 24.837 -2.745 9.900 245 HD3 ARG 31 HD3 ARG 31 24.098 -2.049 11.356 246 HE ARG 31 HE ARG 31 23.585 -4.253 12.116 247 HH11 ARG 31 HH11 ARG 31 26.223 -4.838 10.653 248 HH12 ARG 31 HH12 ARG 31 25.795 -6.264 9.769 249 HH21 ARG 31 HH21 ARG 31 22.374 -5.822 10.203 250 HH22 ARG 31 HH22 ARG 31 23.606 -6.822 9.511 Start of MODEL 35 1 HA ASP 1 HA ASP 1 -0.592 6.776 -2.171 2 HB2 ASP 1 HB2 ASP 1 0.467 5.940 -0.136 3 HB3 ASP 1 HB3 ASP 1 -1.105 5.568 0.569 4 H THR 2 H THR 2 -1.946 5.516 -3.456 5 HA THR 2 HA THR 2 -4.053 5.073 -4.468 6 HB THR 2 HB THR 2 -5.183 3.286 -3.115 7 HG1 THR 2 HG1 THR 2 -3.154 3.656 -1.197 8 HG21 THR 2 HG21 THR 2 -3.124 2.903 -4.531 9 HG22 THR 2 HG22 THR 2 -3.350 1.739 -3.225 10 HG23 THR 2 HG23 THR 2 -2.169 3.037 -3.054 11 H GLU 3 H GLU 3 -4.532 7.558 -3.944 12 HA GLU 3 HA GLU 3 -6.542 8.053 -1.878 13 HB2 GLU 3 HB2 GLU 3 -5.222 9.577 -4.111 14 HB3 GLU 3 HB3 GLU 3 -6.624 10.268 -3.295 15 HG2 GLU 3 HG2 GLU 3 -5.343 10.890 -1.556 16 HG3 GLU 3 HG3 GLU 3 -4.824 9.222 -1.314 17 H ILE 4 H ILE 4 -7.014 9.077 -5.226 18 HA ILE 4 HA ILE 4 -9.600 7.552 -5.271 19 HB ILE 4 HB ILE 4 -10.492 9.542 -6.505 20 HG12 ILE 4 HG12 ILE 4 -8.188 11.193 -5.576 21 HG13 ILE 4 HG13 ILE 4 -7.924 10.201 -7.010 22 HG21 ILE 4 HG21 ILE 4 -9.275 10.349 -3.854 23 HG22 ILE 4 HG22 ILE 4 -10.639 9.236 -3.982 24 HG23 ILE 4 HG23 ILE 4 -10.798 10.898 -4.554 25 HD11 ILE 4 HD11 ILE 4 -8.749 12.370 -7.723 26 HD12 ILE 4 HD12 ILE 4 -10.112 12.260 -6.609 27 HD13 ILE 4 HD13 ILE 4 -10.018 11.175 -7.996 28 H ILE 5 H ILE 5 -7.198 6.508 -6.385 29 HA ILE 5 HA ILE 5 -6.943 7.112 -9.200 30 HB ILE 5 HB ILE 5 -5.217 6.086 -7.697 31 HG12 ILE 5 HG12 ILE 5 -5.201 5.897 -10.235 32 HG13 ILE 5 HG13 ILE 5 -4.255 4.686 -9.376 33 HG21 ILE 5 HG21 ILE 5 -6.902 4.511 -6.595 34 HG22 ILE 5 HG22 ILE 5 -5.334 3.817 -7.000 35 HG23 ILE 5 HG23 ILE 5 -6.732 3.492 -8.022 36 HD11 ILE 5 HD11 ILE 5 -5.390 3.191 -10.657 37 HD12 ILE 5 HD12 ILE 5 -6.658 4.351 -11.048 38 HD13 ILE 5 HD13 ILE 5 -6.715 3.463 -9.527 39 H GLY 6 H GLY 6 -8.489 6.668 -10.681 40 HA2 GLY 6 HA2 GLY 6 -9.983 5.317 -11.947 41 HA3 GLY 6 HA3 GLY 6 -9.787 4.033 -10.752 42 H GLY 7 H GLY 7 -10.772 4.624 -8.514 43 HA2 GLY 7 HA2 GLY 7 -12.513 6.210 -7.498 44 HA3 GLY 7 HA3 GLY 7 -13.427 5.923 -8.980 45 H LEU 8 H LEU 8 -13.615 3.410 -9.449 46 HA LEU 8 HA LEU 8 -14.442 2.079 -6.886 47 HB2 LEU 8 HB2 LEU 8 -15.820 2.750 -9.340 48 HB3 LEU 8 HB3 LEU 8 -15.829 1.001 -9.119 49 HG LEU 8 HG LEU 8 -17.789 2.062 -8.042 50 HD11 LEU 8 HD11 LEU 8 -16.393 0.044 -7.065 51 HD12 LEU 8 HD12 LEU 8 -17.703 0.756 -6.122 52 HD13 LEU 8 HD13 LEU 8 -16.028 1.190 -5.776 53 HD21 LEU 8 HD21 LEU 8 -16.455 4.208 -7.528 54 HD22 LEU 8 HD22 LEU 8 -15.850 3.348 -6.111 55 HD23 LEU 8 HD23 LEU 8 -17.579 3.651 -6.287 56 H THR 9 H THR 9 -11.799 1.887 -8.268 57 HA THR 9 HA THR 9 -11.829 -1.056 -8.843 58 HB THR 9 HB THR 9 -9.871 -0.337 -10.441 59 HG1 THR 9 HG1 THR 9 -9.623 1.766 -10.085 60 HG21 THR 9 HG21 THR 9 -11.908 -1.280 -11.310 61 HG22 THR 9 HG22 THR 9 -11.563 0.174 -12.246 62 HG23 THR 9 HG23 THR 9 -12.797 0.209 -10.987 63 H ILE 10 H ILE 10 -11.337 -0.502 -6.311 64 HA ILE 10 HA ILE 10 -8.352 -0.571 -6.046 65 HB ILE 10 HB ILE 10 -8.783 0.663 -3.846 66 HG12 ILE 10 HG12 ILE 10 -11.247 1.863 -4.899 67 HG13 ILE 10 HG13 ILE 10 -11.445 0.165 -4.470 68 HG21 ILE 10 HG21 ILE 10 -9.520 2.114 -6.406 69 HG22 ILE 10 HG22 ILE 10 -7.874 1.743 -5.895 70 HG23 ILE 10 HG23 ILE 10 -8.865 2.848 -4.942 71 HD11 ILE 10 HD11 ILE 10 -10.025 2.017 -2.580 72 HD12 ILE 10 HD12 ILE 10 -10.904 0.529 -2.228 73 HD13 ILE 10 HD13 ILE 10 -11.788 2.001 -2.630 74 HA PRO 11 HA PRO 11 -9.957 -4.280 -3.995 75 HB2 PRO 11 HB2 PRO 11 -7.827 -5.869 -4.639 76 HB3 PRO 11 HB3 PRO 11 -9.176 -5.563 -5.749 77 HG2 PRO 11 HG2 PRO 11 -6.433 -4.484 -5.778 78 HG3 PRO 11 HG3 PRO 11 -7.558 -4.754 -7.115 79 HD2 PRO 11 HD2 PRO 11 -6.977 -2.295 -5.887 80 HD3 PRO 11 HD3 PRO 11 -8.305 -2.623 -7.018 81 HA PRO 12 HA PRO 12 -7.606 -3.855 -0.283 82 HB2 PRO 12 HB2 PRO 12 -7.971 -6.317 0.860 83 HB3 PRO 12 HB3 PRO 12 -9.246 -5.085 0.783 84 HG2 PRO 12 HG2 PRO 12 -8.833 -7.487 -0.923 85 HG3 PRO 12 HG3 PRO 12 -10.337 -6.784 -0.306 86 HD2 PRO 12 HD2 PRO 12 -9.452 -6.445 -2.865 87 HD3 PRO 12 HD3 PRO 12 -10.485 -5.273 -2.016 88 H VAL 13 H VAL 13 -6.839 -6.407 -2.551 89 HA VAL 13 HA VAL 13 -4.558 -7.580 -1.322 90 HB VAL 13 HB VAL 13 -5.848 -8.325 -3.367 91 HG11 VAL 13 HG11 VAL 13 -4.083 -6.382 -4.870 92 HG12 VAL 13 HG12 VAL 13 -5.745 -5.994 -4.424 93 HG13 VAL 13 HG13 VAL 13 -5.414 -7.351 -5.499 94 HG21 VAL 13 HG21 VAL 13 -3.734 -9.395 -2.829 95 HG22 VAL 13 HG22 VAL 13 -2.832 -8.076 -3.575 96 HG23 VAL 13 HG23 VAL 13 -3.809 -9.151 -4.575 97 H VAL 14 H VAL 14 -4.866 -4.538 -3.163 98 HA VAL 14 HA VAL 14 -2.053 -4.074 -3.549 99 HB VAL 14 HB VAL 14 -2.763 -1.767 -4.002 100 HG11 VAL 14 HG11 VAL 14 -3.570 -3.976 -5.378 101 HG12 VAL 14 HG12 VAL 14 -3.862 -2.321 -5.916 102 HG13 VAL 14 HG13 VAL 14 -5.124 -3.204 -5.056 103 HG21 VAL 14 HG21 VAL 14 -4.281 -1.056 -2.419 104 HG22 VAL 14 HG22 VAL 14 -5.111 -2.609 -2.362 105 HG23 VAL 14 HG23 VAL 14 -5.412 -1.499 -3.696 106 H ALA 15 H ALA 15 -4.246 -3.326 -0.842 107 HA ALA 15 HA ALA 15 -2.467 -1.659 0.668 108 HB1 ALA 15 HB1 ALA 15 -4.869 -1.873 1.110 109 HB2 ALA 15 HB2 ALA 15 -3.972 -2.361 2.548 110 HB3 ALA 15 HB3 ALA 15 -4.671 -3.585 1.488 111 H LEU 16 H LEU 16 -2.936 -5.193 0.571 112 HA LEU 16 HA LEU 16 -1.075 -5.836 2.684 113 HB2 LEU 16 HB2 LEU 16 -2.961 -7.225 1.615 114 HB3 LEU 16 HB3 LEU 16 -1.842 -7.535 0.290 115 HG LEU 16 HG LEU 16 -1.940 -9.289 2.172 116 HD11 LEU 16 HD11 LEU 16 0.868 -8.340 1.990 117 HD12 LEU 16 HD12 LEU 16 0.034 -8.604 0.459 118 HD13 LEU 16 HD13 LEU 16 0.185 -9.924 1.620 119 HD21 LEU 16 HD21 LEU 16 -1.837 -7.367 3.934 120 HD22 LEU 16 HD22 LEU 16 -0.099 -7.398 3.628 121 HD23 LEU 16 HD23 LEU 16 -0.912 -8.838 4.239 122 H VAL 17 H VAL 17 -0.767 -5.559 -0.866 123 HA VAL 17 HA VAL 17 1.933 -6.472 -1.114 124 HB VAL 17 HB VAL 17 0.241 -4.495 -2.683 125 HG11 VAL 17 HG11 VAL 17 1.931 -5.158 -4.544 126 HG12 VAL 17 HG12 VAL 17 2.989 -5.623 -3.211 127 HG13 VAL 17 HG13 VAL 17 2.436 -3.954 -3.357 128 HG21 VAL 17 HG21 VAL 17 -0.318 -6.332 -4.063 129 HG22 VAL 17 HG22 VAL 17 -0.377 -7.008 -2.436 130 HG23 VAL 17 HG23 VAL 17 1.025 -7.305 -3.464 131 H VAL 18 H VAL 18 0.589 -3.215 -0.491 132 HA VAL 18 HA VAL 18 3.065 -1.764 -0.547 133 HB VAL 18 HB VAL 18 0.457 -1.323 0.961 134 HG11 VAL 18 HG11 VAL 18 2.146 0.072 1.971 135 HG12 VAL 18 HG12 VAL 18 1.196 1.098 0.896 136 HG13 VAL 18 HG13 VAL 18 2.788 0.531 0.393 137 HG21 VAL 18 HG21 VAL 18 0.910 -1.378 -1.766 138 HG22 VAL 18 HG22 VAL 18 1.100 0.334 -1.386 139 HG23 VAL 18 HG23 VAL 18 -0.398 -0.500 -0.975 140 H MET 19 H MET 19 1.302 -3.382 2.107 141 HA MET 19 HA MET 19 3.127 -2.649 4.221 142 HB2 MET 19 HB2 MET 19 1.051 -4.804 3.771 143 HB3 MET 19 HB3 MET 19 1.971 -4.724 5.273 144 HG2 MET 19 HG2 MET 19 1.113 -2.564 5.804 145 HG3 MET 19 HG3 MET 19 0.480 -2.335 4.175 146 HE1 MET 19 HE1 MET 19 0.075 -3.159 7.553 147 HE2 MET 19 HE2 MET 19 0.030 -4.911 7.365 148 HE3 MET 19 HE3 MET 19 -1.441 -4.040 7.791 149 H SER 20 H SER 20 2.806 -5.600 2.212 150 HA SER 20 HA SER 20 5.006 -7.049 3.331 151 HB2 SER 20 HB2 SER 20 3.547 -7.030 0.686 152 HB3 SER 20 HB3 SER 20 4.883 -8.141 0.975 153 HG SER 20 HG SER 20 3.536 -9.312 2.070 154 H ARG 21 H ARG 21 4.825 -4.766 0.578 155 HA ARG 21 HA ARG 21 7.518 -4.996 -0.333 156 HB2 ARG 21 HB2 ARG 21 5.524 -3.838 -1.399 157 HB3 ARG 21 HB3 ARG 21 5.784 -2.510 -0.269 158 HG2 ARG 21 HG2 ARG 21 8.188 -3.410 -1.757 159 HG3 ARG 21 HG3 ARG 21 6.939 -2.631 -2.729 160 HD2 ARG 21 HD2 ARG 21 8.139 -1.447 -0.194 161 HD3 ARG 21 HD3 ARG 21 8.571 -0.967 -1.846 162 HE ARG 21 HE ARG 21 5.946 -0.605 -2.029 163 HH11 ARG 21 HH11 ARG 21 7.426 1.825 -1.306 164 HH12 ARG 21 HH12 ARG 21 6.715 2.295 0.202 165 HH21 ARG 21 HH21 ARG 21 5.259 -0.811 0.784 166 HH22 ARG 21 HH22 ARG 21 5.482 0.797 1.387 167 H PHE 22 H PHE 22 6.107 -3.139 2.348 168 HA PHE 22 HA PHE 22 8.290 -1.401 2.930 169 HB2 PHE 22 HB2 PHE 22 5.867 -1.559 3.859 170 HB3 PHE 22 HB3 PHE 22 6.528 -2.737 4.993 171 HD1 PHE 22 HD1 PHE 22 8.350 -2.073 6.572 172 HD2 PHE 22 HD2 PHE 22 6.333 0.788 4.082 173 HE1 PHE 22 HE1 PHE 22 9.210 -0.231 7.992 174 HE2 PHE 22 HE2 PHE 22 7.193 2.630 5.502 175 HZ PHE 22 HZ PHE 22 8.630 2.121 7.457 176 H GLY 23 H GLY 23 7.617 -4.745 3.997 177 HA2 GLY 23 HA2 GLY 23 10.124 -4.877 5.532 178 HA3 GLY 23 HA3 GLY 23 8.960 -6.188 5.329 179 H PHE 24 H PHE 24 8.878 -5.918 2.393 180 HA PHE 24 HA PHE 24 10.979 -7.735 1.677 181 HB2 PHE 24 HB2 PHE 24 8.616 -6.674 0.590 182 HB3 PHE 24 HB3 PHE 24 9.881 -6.189 -0.536 183 HD1 PHE 24 HD1 PHE 24 11.616 -8.055 -1.184 184 HD2 PHE 24 HD2 PHE 24 7.716 -8.829 0.443 185 HE1 PHE 24 HE1 PHE 24 11.694 -10.361 -2.093 186 HE2 PHE 24 HE2 PHE 24 7.796 -11.136 -0.466 187 HZ PHE 24 HZ PHE 24 9.785 -11.901 -1.733 188 H PHE 25 H PHE 25 10.561 -4.243 0.971 189 HA PHE 25 HA PHE 25 12.951 -3.822 -0.500 190 HB2 PHE 25 HB2 PHE 25 10.869 -2.328 0.070 191 HB3 PHE 25 HB3 PHE 25 11.840 -1.811 1.448 192 HD1 PHE 25 HD1 PHE 25 11.588 -1.852 -2.234 193 HD2 PHE 25 HD2 PHE 25 13.881 -0.513 1.145 194 HE1 PHE 25 HE1 PHE 25 12.863 -0.317 -3.706 195 HE2 PHE 25 HE2 PHE 25 15.154 1.021 -0.328 196 HZ PHE 25 HZ PHE 25 14.645 1.120 -2.753 197 H ALA 26 H ALA 26 12.450 -4.057 3.005 198 HA ALA 26 HA ALA 26 14.819 -2.906 4.006 199 HB1 ALA 26 HB1 ALA 26 14.384 -4.287 5.939 200 HB2 ALA 26 HB2 ALA 26 13.519 -5.473 4.962 201 HB3 ALA 26 HB3 ALA 26 12.820 -3.877 5.235 202 H HIS 27 H HIS 27 14.345 -6.122 2.541 203 HA HIS 27 HA HIS 27 17.314 -6.548 2.702 204 HB2 HIS 27 HB2 HIS 27 16.771 -8.946 2.759 205 HB3 HIS 27 HB3 HIS 27 15.908 -8.102 4.041 206 HD1 HIS 27 HD1 HIS 27 15.304 -9.409 0.511 207 HD2 HIS 27 HD2 HIS 27 13.148 -8.426 3.941 208 HE1 HIS 27 HE1 HIS 27 12.915 -10.133 0.088 209 H LEU 28 H LEU 28 15.486 -5.232 0.555 210 HA LEU 28 HA LEU 28 16.130 -7.036 -1.747 211 HB2 LEU 28 HB2 LEU 28 13.760 -6.169 -1.169 212 HB3 LEU 28 HB3 LEU 28 14.333 -4.605 -1.745 213 HG LEU 28 HG LEU 28 15.170 -6.264 -3.763 214 HD11 LEU 28 HD11 LEU 28 12.475 -7.276 -2.807 215 HD12 LEU 28 HD12 LEU 28 13.986 -8.182 -2.728 216 HD13 LEU 28 HD13 LEU 28 13.292 -7.758 -4.293 217 HD21 LEU 28 HD21 LEU 28 12.930 -4.397 -3.286 218 HD22 LEU 28 HD22 LEU 28 12.675 -5.510 -4.631 219 HD23 LEU 28 HD23 LEU 28 14.084 -4.452 -4.619 220 H LEU 29 H LEU 29 16.399 -3.652 -0.606 221 HA LEU 29 HA LEU 29 17.977 -2.846 -2.954 222 HB2 LEU 29 HB2 LEU 29 16.305 -1.460 -1.569 223 HB3 LEU 29 HB3 LEU 29 17.575 -1.357 -0.351 224 HG LEU 29 HG LEU 29 19.075 -0.578 -2.354 225 HD11 LEU 29 HD11 LEU 29 17.623 -0.957 -4.201 226 HD12 LEU 29 HD12 LEU 29 17.608 0.790 -3.960 227 HD13 LEU 29 HD13 LEU 29 16.259 -0.190 -3.386 228 HD21 LEU 29 HD21 LEU 29 18.084 0.745 -0.331 229 HD22 LEU 29 HD22 LEU 29 16.953 1.392 -1.520 230 HD23 LEU 29 HD23 LEU 29 18.686 1.652 -1.720 231 HA PRO 30 HA PRO 30 21.736 -4.215 -0.947 232 HB2 PRO 30 HB2 PRO 30 23.430 -3.536 -2.986 233 HB3 PRO 30 HB3 PRO 30 22.414 -4.989 -3.020 234 HG2 PRO 30 HG2 PRO 30 22.036 -2.383 -4.388 235 HG3 PRO 30 HG3 PRO 30 21.638 -4.018 -4.937 236 HD2 PRO 30 HD2 PRO 30 19.812 -2.210 -3.942 237 HD3 PRO 30 HD3 PRO 30 19.582 -3.972 -3.967 238 H ARG 31 H ARG 31 21.405 -2.358 0.591 239 HA ARG 31 HA ARG 31 22.160 -0.408 1.677 240 HB2 ARG 31 HB2 ARG 31 24.416 -1.169 -0.185 241 HB3 ARG 31 HB3 ARG 31 24.553 0.226 0.884 242 HG2 ARG 31 HG2 ARG 31 24.140 -1.183 2.837 243 HG3 ARG 31 HG3 ARG 31 23.891 -2.588 1.799 244 HD2 ARG 31 HD2 ARG 31 26.158 -2.766 2.553 245 HD3 ARG 31 HD3 ARG 31 26.279 -2.119 0.905 246 HE ARG 31 HE ARG 31 26.451 0.163 1.944 247 HH11 ARG 31 HH11 ARG 31 28.967 -1.156 2.659 248 HH12 ARG 31 HH12 ARG 31 29.032 -0.994 4.382 249 HH21 ARG 31 HH21 ARG 31 25.648 -0.264 4.701 250 HH22 ARG 31 HH22 ARG 31 27.145 -0.487 5.543 Start of MODEL 36 1 HA ASP 1 HA ASP 1 -13.914 0.563 16.221 2 HB2 ASP 1 HB2 ASP 1 -13.378 -1.466 14.116 3 HB3 ASP 1 HB3 ASP 1 -11.963 -0.870 14.985 4 H THR 2 H THR 2 -11.710 1.540 16.263 5 HA THR 2 HA THR 2 -11.479 3.769 14.386 6 HB THR 2 HB THR 2 -9.442 2.850 16.428 7 HG1 THR 2 HG1 THR 2 -10.686 3.692 18.002 8 HG21 THR 2 HG21 THR 2 -8.970 4.805 14.917 9 HG22 THR 2 HG22 THR 2 -8.982 5.215 16.632 10 HG23 THR 2 HG23 THR 2 -10.369 5.618 15.619 11 H GLU 3 H GLU 3 -10.107 3.897 12.625 12 HA GLU 3 HA GLU 3 -8.209 1.614 12.175 13 HB2 GLU 3 HB2 GLU 3 -10.496 1.958 10.845 14 HB3 GLU 3 HB3 GLU 3 -9.517 3.100 9.925 15 HG2 GLU 3 HG2 GLU 3 -7.801 1.255 9.648 16 HG3 GLU 3 HG3 GLU 3 -8.987 0.148 10.342 17 H ILE 4 H ILE 4 -6.276 2.668 12.708 18 HA ILE 4 HA ILE 4 -5.728 5.416 11.846 19 HB ILE 4 HB ILE 4 -4.977 4.055 13.958 20 HG12 ILE 4 HG12 ILE 4 -4.303 6.410 13.263 21 HG13 ILE 4 HG13 ILE 4 -3.149 5.557 14.283 22 HG21 ILE 4 HG21 ILE 4 -2.801 2.979 13.762 23 HG22 ILE 4 HG22 ILE 4 -2.743 3.345 12.038 24 HG23 ILE 4 HG23 ILE 4 -3.939 2.207 12.657 25 HD11 ILE 4 HD11 ILE 4 -2.439 4.863 11.652 26 HD12 ILE 4 HD12 ILE 4 -1.585 5.978 12.715 27 HD13 ILE 4 HD13 ILE 4 -2.800 6.588 11.591 28 H ILE 5 H ILE 5 -5.073 2.175 10.613 29 HA ILE 5 HA ILE 5 -3.283 3.314 8.498 30 HB ILE 5 HB ILE 5 -3.854 0.427 9.268 31 HG12 ILE 5 HG12 ILE 5 -2.835 1.601 11.165 32 HG13 ILE 5 HG13 ILE 5 -1.651 0.525 10.429 33 HG21 ILE 5 HG21 ILE 5 -1.520 0.207 8.138 34 HG22 ILE 5 HG22 ILE 5 -1.883 1.782 7.433 35 HG23 ILE 5 HG23 ILE 5 -2.933 0.404 7.102 36 HD11 ILE 5 HD11 ILE 5 -0.590 2.671 10.866 37 HD12 ILE 5 HD12 ILE 5 -1.873 3.520 10.006 38 HD13 ILE 5 HD13 ILE 5 -0.765 2.471 9.124 39 H GLY 6 H GLY 6 -5.827 4.085 8.026 40 HA2 GLY 6 HA2 GLY 6 -7.065 2.057 6.225 41 HA3 GLY 6 HA3 GLY 6 -7.882 3.487 6.856 42 H GLY 7 H GLY 7 -6.621 5.620 6.185 43 HA2 GLY 7 HA2 GLY 7 -5.470 6.845 4.456 44 HA3 GLY 7 HA3 GLY 7 -5.523 5.408 3.435 45 H LEU 8 H LEU 8 -8.310 4.826 3.694 46 HA LEU 8 HA LEU 8 -10.405 5.414 2.795 47 HB2 LEU 8 HB2 LEU 8 -9.463 7.609 4.256 48 HB3 LEU 8 HB3 LEU 8 -9.956 8.299 2.710 49 HG LEU 8 HG LEU 8 -11.733 6.367 4.203 50 HD11 LEU 8 HD11 LEU 8 -12.908 8.392 5.091 51 HD12 LEU 8 HD12 LEU 8 -11.577 9.383 4.493 52 HD13 LEU 8 HD13 LEU 8 -11.287 8.189 5.758 53 HD21 LEU 8 HD21 LEU 8 -12.408 6.722 1.934 54 HD22 LEU 8 HD22 LEU 8 -12.101 8.455 2.040 55 HD23 LEU 8 HD23 LEU 8 -13.461 7.746 2.909 56 H THR 9 H THR 9 -7.694 5.431 1.165 57 HA THR 9 HA THR 9 -8.972 6.274 -1.384 58 HB THR 9 HB THR 9 -6.209 7.221 -0.558 59 HG1 THR 9 HG1 THR 9 -8.721 8.526 -0.369 60 HG21 THR 9 HG21 THR 9 -8.049 7.672 -2.879 61 HG22 THR 9 HG22 THR 9 -6.304 7.411 -2.868 62 HG23 THR 9 HG23 THR 9 -6.965 8.974 -2.388 63 H ILE 10 H ILE 10 -7.935 3.718 0.021 64 HA ILE 10 HA ILE 10 -6.415 2.689 -2.322 65 HB ILE 10 HB ILE 10 -4.851 1.573 -0.616 66 HG12 ILE 10 HG12 ILE 10 -5.513 3.790 1.270 67 HG13 ILE 10 HG13 ILE 10 -6.597 2.400 1.259 68 HG21 ILE 10 HG21 ILE 10 -3.364 3.401 -0.652 69 HG22 ILE 10 HG22 ILE 10 -4.670 4.580 -0.534 70 HG23 ILE 10 HG23 ILE 10 -4.417 3.693 -2.037 71 HD11 ILE 10 HD11 ILE 10 -4.922 0.916 1.934 72 HD12 ILE 10 HD12 ILE 10 -4.506 2.373 2.838 73 HD13 ILE 10 HD13 ILE 10 -3.625 1.968 1.365 74 HA PRO 11 HA PRO 11 -9.239 -0.642 -1.590 75 HB2 PRO 11 HB2 PRO 11 -8.079 -2.509 -3.226 76 HB3 PRO 11 HB3 PRO 11 -9.033 -1.143 -3.837 77 HG2 PRO 11 HG2 PRO 11 -6.080 -1.475 -3.696 78 HG3 PRO 11 HG3 PRO 11 -7.074 -0.730 -4.958 79 HD2 PRO 11 HD2 PRO 11 -5.676 0.697 -3.100 80 HD3 PRO 11 HD3 PRO 11 -7.160 1.285 -3.883 81 HA PRO 12 HA PRO 12 -7.402 -3.300 1.401 82 HB2 PRO 12 HB2 PRO 12 -8.648 -5.703 0.978 83 HB3 PRO 12 HB3 PRO 12 -9.458 -4.304 1.713 84 HG2 PRO 12 HG2 PRO 12 -9.595 -5.314 -1.085 85 HG3 PRO 12 HG3 PRO 12 -10.877 -4.653 -0.059 86 HD2 PRO 12 HD2 PRO 12 -9.651 -3.223 -2.022 87 HD3 PRO 12 HD3 PRO 12 -10.341 -2.482 -0.561 88 H VAL 13 H VAL 13 -7.371 -4.521 -1.929 89 HA VAL 13 HA VAL 13 -5.429 -6.623 -1.498 90 HB VAL 13 HB VAL 13 -7.092 -6.357 -3.396 91 HG11 VAL 13 HG11 VAL 13 -6.524 -3.914 -3.776 92 HG12 VAL 13 HG12 VAL 13 -6.578 -4.898 -5.236 93 HG13 VAL 13 HG13 VAL 13 -5.025 -4.455 -4.529 94 HG21 VAL 13 HG21 VAL 13 -5.205 -7.957 -3.503 95 HG22 VAL 13 HG22 VAL 13 -4.180 -6.693 -4.183 96 HG23 VAL 13 HG23 VAL 13 -5.569 -7.288 -5.093 97 H VAL 14 H VAL 14 -5.137 -3.156 -2.301 98 HA VAL 14 HA VAL 14 -2.343 -3.235 -3.009 99 HB VAL 14 HB VAL 14 -4.229 -1.431 -3.336 100 HG11 VAL 14 HG11 VAL 14 -2.931 -0.193 -0.925 101 HG12 VAL 14 HG12 VAL 14 -4.339 -1.232 -0.718 102 HG13 VAL 14 HG13 VAL 14 -4.457 0.222 -1.705 103 HG21 VAL 14 HG21 VAL 14 -2.432 0.345 -3.450 104 HG22 VAL 14 HG22 VAL 14 -2.030 -1.159 -4.279 105 HG23 VAL 14 HG23 VAL 14 -1.334 -0.813 -2.697 106 H ALA 15 H ALA 15 -4.040 -2.999 0.092 107 HA ALA 15 HA ALA 15 -1.874 -2.144 1.749 108 HB1 ALA 15 HB1 ALA 15 -3.247 -3.175 3.535 109 HB2 ALA 15 HB2 ALA 15 -4.181 -4.042 2.316 110 HB3 ALA 15 HB3 ALA 15 -4.266 -2.282 2.405 111 H LEU 16 H LEU 16 -2.878 -5.383 0.642 112 HA LEU 16 HA LEU 16 -0.804 -6.815 2.107 113 HB2 LEU 16 HB2 LEU 16 -2.995 -7.759 1.386 114 HB3 LEU 16 HB3 LEU 16 -2.509 -7.572 -0.299 115 HG LEU 16 HG LEU 16 -0.412 -8.983 0.453 116 HD11 LEU 16 HD11 LEU 16 -1.403 -10.728 2.170 117 HD12 LEU 16 HD12 LEU 16 -2.407 -9.363 2.662 118 HD13 LEU 16 HD13 LEU 16 -0.649 -9.244 2.753 119 HD21 LEU 16 HD21 LEU 16 -3.147 -10.271 0.178 120 HD22 LEU 16 HD22 LEU 16 -1.595 -11.021 -0.196 121 HD23 LEU 16 HD23 LEU 16 -2.180 -9.675 -1.172 122 H VAL 17 H VAL 17 -1.170 -5.544 -1.202 123 HA VAL 17 HA VAL 17 1.216 -6.708 -2.319 124 HB VAL 17 HB VAL 17 -0.460 -4.262 -2.967 125 HG11 VAL 17 HG11 VAL 17 0.721 -4.766 -5.305 126 HG12 VAL 17 HG12 VAL 17 2.006 -5.361 -4.256 127 HG13 VAL 17 HG13 VAL 17 1.461 -3.689 -4.121 128 HG21 VAL 17 HG21 VAL 17 -1.361 -6.693 -3.125 129 HG22 VAL 17 HG22 VAL 17 -0.267 -6.858 -4.497 130 HG23 VAL 17 HG23 VAL 17 -1.555 -5.655 -4.537 131 H VAL 18 H VAL 18 0.603 -3.675 -0.552 132 HA VAL 18 HA VAL 18 3.314 -2.644 -0.972 133 HB VAL 18 HB VAL 18 0.980 -1.889 0.821 134 HG11 VAL 18 HG11 VAL 18 2.398 0.337 0.881 135 HG12 VAL 18 HG12 VAL 18 3.750 -0.752 0.578 136 HG13 VAL 18 HG13 VAL 18 2.754 -0.962 2.018 137 HG21 VAL 18 HG21 VAL 18 2.124 -0.337 -1.503 138 HG22 VAL 18 HG22 VAL 18 0.520 -0.213 -0.782 139 HG23 VAL 18 HG23 VAL 18 0.940 -1.616 -1.764 140 H MET 19 H MET 19 1.582 -4.411 1.592 141 HA MET 19 HA MET 19 3.509 -4.195 3.681 142 HB2 MET 19 HB2 MET 19 1.123 -5.097 3.711 143 HB3 MET 19 HB3 MET 19 1.769 -6.591 3.036 144 HG2 MET 19 HG2 MET 19 3.207 -6.910 4.963 145 HG3 MET 19 HG3 MET 19 2.762 -5.330 5.608 146 HE1 MET 19 HE1 MET 19 1.016 -7.449 8.220 147 HE2 MET 19 HE2 MET 19 2.101 -6.112 7.846 148 HE3 MET 19 HE3 MET 19 2.586 -7.763 7.464 149 H SER 20 H SER 20 3.199 -6.680 1.102 150 HA SER 20 HA SER 20 5.400 -8.314 1.908 151 HB2 SER 20 HB2 SER 20 5.298 -9.039 -0.504 152 HB3 SER 20 HB3 SER 20 3.728 -9.030 0.292 153 HG SER 20 HG SER 20 3.105 -7.506 -1.019 154 H ARG 21 H ARG 21 5.259 -5.527 -0.330 155 HA ARG 21 HA ARG 21 8.079 -5.567 -0.999 156 HB2 ARG 21 HB2 ARG 21 5.757 -3.667 -1.248 157 HB3 ARG 21 HB3 ARG 21 7.383 -3.104 -1.636 158 HG2 ARG 21 HG2 ARG 21 7.615 -5.109 -3.163 159 HG3 ARG 21 HG3 ARG 21 5.899 -5.423 -2.900 160 HD2 ARG 21 HD2 ARG 21 6.381 -2.623 -3.597 161 HD3 ARG 21 HD3 ARG 21 6.954 -3.734 -4.857 162 HE ARG 21 HE ARG 21 4.196 -3.943 -3.698 163 HH11 ARG 21 HH11 ARG 21 4.316 -2.246 -6.098 164 HH12 ARG 21 HH12 ARG 21 4.081 -3.371 -7.394 165 HH21 ARG 21 HH21 ARG 21 4.808 -6.159 -5.449 166 HH22 ARG 21 HH22 ARG 21 4.358 -5.598 -7.023 167 H PHE 22 H PHE 22 6.139 -3.931 1.499 168 HA PHE 22 HA PHE 22 8.013 -2.058 2.484 169 HB2 PHE 22 HB2 PHE 22 5.499 -2.951 3.130 170 HB3 PHE 22 HB3 PHE 22 6.438 -3.566 4.488 171 HD1 PHE 22 HD1 PHE 22 7.691 -2.025 5.959 172 HD2 PHE 22 HD2 PHE 22 5.198 -0.575 2.774 173 HE1 PHE 22 HE2 PHE 22 7.743 0.247 6.952 174 HE2 PHE 22 HE1 PHE 22 5.252 1.697 3.768 175 HZ PHE 22 HZ PHE 22 6.524 2.108 5.856 176 H GLY 23 H GLY 23 7.605 -5.504 3.390 177 HA2 GLY 23 HA2 GLY 23 9.832 -5.501 5.247 178 HA3 GLY 23 HA3 GLY 23 9.024 -6.934 4.611 179 H PHE 24 H PHE 24 9.425 -6.504 1.843 180 HA PHE 24 HA PHE 24 12.055 -7.567 1.444 181 HB2 PHE 24 HB2 PHE 24 9.684 -6.945 -0.048 182 HB3 PHE 24 HB3 PHE 24 11.069 -6.303 -0.928 183 HD1 PHE 24 HD1 PHE 24 12.995 -7.824 -1.500 184 HD2 PHE 24 HD2 PHE 24 9.295 -9.297 0.113 185 HE1 PHE 24 HE2 PHE 24 13.577 -10.111 -2.256 186 HE2 PHE 24 HE1 PHE 24 9.879 -11.586 -0.645 187 HZ PHE 24 HZ PHE 24 12.019 -11.993 -1.829 188 H PHE 25 H PHE 25 10.755 -4.283 0.835 189 HA PHE 25 HA PHE 25 13.228 -3.134 -0.089 190 HB2 PHE 25 HB2 PHE 25 10.559 -2.202 0.899 191 HB3 PHE 25 HB3 PHE 25 11.853 -1.012 0.782 192 HD1 PHE 25 HD1 PHE 25 10.070 -3.653 -1.179 193 HD2 PHE 25 HD2 PHE 25 12.449 -0.079 -1.301 194 HE1 PHE 25 HE1 PHE 25 9.722 -3.507 -3.628 195 HE2 PHE 25 HE2 PHE 25 12.100 0.066 -3.752 196 HZ PHE 25 HZ PHE 25 10.736 -1.647 -4.915 197 H ALA 26 H ALA 26 11.811 -3.515 3.152 198 HA ALA 26 HA ALA 26 13.528 -1.743 4.594 199 HB1 ALA 26 HB1 ALA 26 12.054 -4.299 5.279 200 HB2 ALA 26 HB2 ALA 26 11.555 -2.640 5.613 201 HB3 ALA 26 HB3 ALA 26 12.907 -3.350 6.496 202 H HIS 27 H HIS 27 13.933 -5.165 3.658 203 HA HIS 27 HA HIS 27 16.535 -5.384 5.018 204 HB2 HIS 27 HB2 HIS 27 14.658 -7.164 4.581 205 HB3 HIS 27 HB3 HIS 27 15.397 -7.300 2.986 206 HD1 HIS 27 HD1 HIS 27 16.664 -7.230 6.599 207 HD2 HIS 27 HD2 HIS 27 17.385 -9.204 2.997 208 HE1 HIS 27 HE1 HIS 27 18.505 -8.909 7.056 209 H LEU 28 H LEU 28 15.334 -5.190 1.652 210 HA LEU 28 HA LEU 28 17.870 -5.440 0.338 211 HB2 LEU 28 HB2 LEU 28 15.104 -4.554 -0.263 212 HB3 LEU 28 HB3 LEU 28 16.342 -3.886 -1.323 213 HG LEU 28 HG LEU 28 15.403 -6.036 -2.175 214 HD11 LEU 28 HD11 LEU 28 17.867 -5.207 -2.445 215 HD12 LEU 28 HD12 LEU 28 17.470 -6.864 -2.903 216 HD13 LEU 28 HD13 LEU 28 18.255 -6.541 -1.358 217 HD21 LEU 28 HD21 LEU 28 16.876 -7.438 0.047 218 HD22 LEU 28 HD22 LEU 28 15.599 -8.055 -1.000 219 HD23 LEU 28 HD23 LEU 28 15.209 -6.918 0.290 220 H LEU 29 H LEU 29 16.116 -2.593 1.588 221 HA LEU 29 HA LEU 29 18.526 -0.914 0.970 222 HB2 LEU 29 HB2 LEU 29 16.284 -0.454 -0.143 223 HB3 LEU 29 HB3 LEU 29 15.666 -0.032 1.454 224 HG LEU 29 HG LEU 29 17.768 1.547 1.543 225 HD11 LEU 29 HD11 LEU 29 18.821 0.742 -0.510 226 HD12 LEU 29 HD12 LEU 29 18.329 2.420 -0.729 227 HD13 LEU 29 HD13 LEU 29 17.369 1.121 -1.436 228 HD21 LEU 29 HD21 LEU 29 15.161 1.922 0.098 229 HD22 LEU 29 HD22 LEU 29 16.343 3.232 0.087 230 HD23 LEU 29 HD23 LEU 29 15.706 2.633 1.618 231 HA PRO 30 HA PRO 30 18.359 -1.266 5.558 232 HB2 PRO 30 HB2 PRO 30 21.078 -1.216 5.885 233 HB3 PRO 30 HB3 PRO 30 20.174 -2.702 5.538 234 HG2 PRO 30 HG2 PRO 30 21.756 -0.976 3.698 235 HG3 PRO 30 HG3 PRO 30 21.624 -2.741 3.756 236 HD2 PRO 30 HD2 PRO 30 20.291 -1.199 1.945 237 HD3 PRO 30 HD3 PRO 30 19.697 -2.771 2.524 238 H ARG 31 H ARG 31 17.574 0.844 5.938 239 HA ARG 31 HA ARG 31 19.593 3.064 5.797 240 HB2 ARG 31 HB2 ARG 31 17.106 2.738 4.512 241 HB3 ARG 31 HB3 ARG 31 16.811 3.903 5.803 242 HG2 ARG 31 HG2 ARG 31 18.463 5.395 4.990 243 HG3 ARG 31 HG3 ARG 31 19.191 4.160 3.963 244 HD2 ARG 31 HD2 ARG 31 17.797 4.678 2.253 245 HD3 ARG 31 HD3 ARG 31 16.376 4.527 3.304 246 HE ARG 31 HE ARG 31 16.763 6.861 4.036 247 HH11 ARG 31 HH11 ARG 31 16.320 7.113 1.109 248 HH12 ARG 31 HH12 ARG 31 17.677 8.060 0.599 249 HH21 ARG 31 HH21 ARG 31 19.507 7.472 3.496 250 HH22 ARG 31 HH22 ARG 31 19.489 8.264 1.957 Start of MODEL 37 1 HA ASP 1 HA ASP 1 -4.966 -9.034 12.411 2 HB2 ASP 1 HB2 ASP 1 -4.349 -10.638 14.309 3 HB3 ASP 1 HB3 ASP 1 -5.934 -10.284 14.997 4 H THR 2 H THR 2 -6.992 -8.708 11.485 5 HA THR 2 HA THR 2 -9.095 -7.397 13.185 6 HB THR 2 HB THR 2 -8.424 -6.892 10.265 7 HG1 THR 2 HG1 THR 2 -7.075 -5.437 10.946 8 HG21 THR 2 HG21 THR 2 -9.780 -4.746 10.920 9 HG22 THR 2 HG22 THR 2 -10.409 -5.763 12.215 10 HG23 THR 2 HG23 THR 2 -10.646 -6.232 10.531 11 H GLU 3 H GLU 3 -11.318 -7.843 12.480 12 HA GLU 3 HA GLU 3 -11.623 -10.567 11.376 13 HB2 GLU 3 HB2 GLU 3 -12.832 -9.116 13.367 14 HB3 GLU 3 HB3 GLU 3 -13.996 -8.932 12.056 15 HG2 GLU 3 HG2 GLU 3 -12.886 -11.578 13.044 16 HG3 GLU 3 HG3 GLU 3 -14.480 -10.935 13.438 17 H ILE 4 H ILE 4 -11.094 -10.177 9.133 18 HA ILE 4 HA ILE 4 -11.542 -9.594 6.891 19 HB ILE 4 HB ILE 4 -14.372 -9.527 7.993 20 HG12 ILE 4 HG12 ILE 4 -12.915 -11.939 6.887 21 HG13 ILE 4 HG13 ILE 4 -12.926 -11.568 8.610 22 HG21 ILE 4 HG21 ILE 4 -14.169 -8.759 5.663 23 HG22 ILE 4 HG22 ILE 4 -14.959 -10.334 5.723 24 HG23 ILE 4 HG23 ILE 4 -13.263 -10.216 5.252 25 HD11 ILE 4 HD11 ILE 4 -15.484 -11.451 8.403 26 HD12 ILE 4 HD12 ILE 4 -14.754 -13.053 8.299 27 HD13 ILE 4 HD13 ILE 4 -15.277 -12.226 6.832 28 H ILE 5 H ILE 5 -10.502 -7.417 7.773 29 HA ILE 5 HA ILE 5 -10.398 -5.079 7.511 30 HB ILE 5 HB ILE 5 -13.032 -5.522 6.063 31 HG12 ILE 5 HG12 ILE 5 -11.141 -6.941 5.216 32 HG13 ILE 5 HG13 ILE 5 -11.699 -5.757 4.038 33 HG21 ILE 5 HG21 ILE 5 -12.676 -3.176 6.507 34 HG22 ILE 5 HG22 ILE 5 -12.288 -3.466 4.812 35 HG23 ILE 5 HG23 ILE 5 -10.992 -3.283 5.994 36 HD11 ILE 5 HD11 ILE 5 -9.381 -5.196 5.898 37 HD12 ILE 5 HD12 ILE 5 -9.827 -4.334 4.426 38 HD13 ILE 5 HD13 ILE 5 -9.159 -5.963 4.326 39 H GLY 6 H GLY 6 -10.724 -3.758 9.236 40 HA2 GLY 6 HA2 GLY 6 -13.337 -3.904 10.678 41 HA3 GLY 6 HA3 GLY 6 -11.822 -3.348 11.390 42 H GLY 7 H GLY 7 -10.886 -1.468 9.696 43 HA2 GLY 7 HA2 GLY 7 -12.599 0.791 10.174 44 HA3 GLY 7 HA3 GLY 7 -11.133 0.812 9.196 45 H LEU 8 H LEU 8 -12.090 -1.287 7.357 46 HA LEU 8 HA LEU 8 -13.248 -1.437 5.310 47 HB2 LEU 8 HB2 LEU 8 -15.108 -0.442 7.374 48 HB3 LEU 8 HB3 LEU 8 -15.619 -0.097 5.723 49 HG LEU 8 HG LEU 8 -14.865 -2.656 5.388 50 HD11 LEU 8 HD11 LEU 8 -14.227 -2.795 7.828 51 HD12 LEU 8 HD12 LEU 8 -15.412 -3.998 7.322 52 HD13 LEU 8 HD13 LEU 8 -15.931 -2.575 8.225 53 HD21 LEU 8 HD21 LEU 8 -17.283 -3.245 5.811 54 HD22 LEU 8 HD22 LEU 8 -17.060 -1.818 4.800 55 HD23 LEU 8 HD23 LEU 8 -17.496 -1.635 6.500 56 H THR 9 H THR 9 -11.479 0.955 5.826 57 HA THR 9 HA THR 9 -12.707 2.795 3.796 58 HB THR 9 HB THR 9 -10.951 3.555 6.155 59 HG1 THR 9 HG1 THR 9 -12.825 2.984 7.073 60 HG21 THR 9 HG21 THR 9 -12.281 5.793 5.500 61 HG22 THR 9 HG22 THR 9 -12.263 5.019 3.916 62 HG23 THR 9 HG23 THR 9 -10.746 5.362 4.748 63 H ILE 10 H ILE 10 -10.561 0.496 3.821 64 HA ILE 10 HA ILE 10 -8.579 1.990 2.168 65 HB ILE 10 HB ILE 10 -6.777 0.655 3.369 66 HG12 ILE 10 HG12 ILE 10 -8.454 0.337 5.766 67 HG13 ILE 10 HG13 ILE 10 -8.927 -0.723 4.438 68 HG21 ILE 10 HG21 ILE 10 -8.321 2.443 5.252 69 HG22 ILE 10 HG22 ILE 10 -7.445 3.078 3.859 70 HG23 ILE 10 HG23 ILE 10 -6.574 2.232 5.138 71 HD11 ILE 10 HD11 ILE 10 -7.230 -1.813 5.848 72 HD12 ILE 10 HD12 ILE 10 -6.129 -0.462 5.579 73 HD13 ILE 10 HD13 ILE 10 -6.591 -1.505 4.234 74 HA PRO 11 HA PRO 11 -9.065 -1.578 -0.381 75 HB2 PRO 11 HB2 PRO 11 -6.777 -1.405 -1.870 76 HB3 PRO 11 HB3 PRO 11 -8.158 -0.312 -2.090 77 HG2 PRO 11 HG2 PRO 11 -5.577 0.157 -0.704 78 HG3 PRO 11 HG3 PRO 11 -6.572 1.272 -1.651 79 HD2 PRO 11 HD2 PRO 11 -6.473 1.209 1.102 80 HD3 PRO 11 HD3 PRO 11 -7.815 1.882 0.152 81 HA PRO 12 HA PRO 12 -6.671 -4.496 2.050 82 HB2 PRO 12 HB2 PRO 12 -7.920 -6.750 1.122 83 HB3 PRO 12 HB3 PRO 12 -8.627 -5.684 2.352 84 HG2 PRO 12 HG2 PRO 12 -9.211 -5.861 -0.559 85 HG3 PRO 12 HG3 PRO 12 -10.312 -5.585 0.799 86 HD2 PRO 12 HD2 PRO 12 -9.417 -3.602 -0.851 87 HD3 PRO 12 HD3 PRO 12 -9.912 -3.335 0.836 88 H VAL 13 H VAL 13 -7.335 -5.088 -1.432 89 HA VAL 13 HA VAL 13 -5.127 -6.882 -1.872 90 HB VAL 13 HB VAL 13 -6.648 -5.003 -3.720 91 HG11 VAL 13 HG11 VAL 13 -4.820 -7.354 -4.300 92 HG12 VAL 13 HG12 VAL 13 -4.593 -5.680 -4.809 93 HG13 VAL 13 HG13 VAL 13 -5.907 -6.640 -5.492 94 HG21 VAL 13 HG21 VAL 13 -7.769 -7.255 -4.308 95 HG22 VAL 13 HG22 VAL 13 -8.206 -6.523 -2.764 96 HG23 VAL 13 HG23 VAL 13 -7.056 -7.860 -2.813 97 H VAL 14 H VAL 14 -5.470 -3.352 -2.440 98 HA VAL 14 HA VAL 14 -2.807 -2.900 -3.404 99 HB VAL 14 HB VAL 14 -4.805 -1.136 -1.940 100 HG11 VAL 14 HG11 VAL 14 -3.522 0.743 -3.018 101 HG12 VAL 14 HG12 VAL 14 -2.284 -0.427 -3.470 102 HG13 VAL 14 HG13 VAL 14 -2.616 -0.107 -1.767 103 HG21 VAL 14 HG21 VAL 14 -5.423 -2.206 -4.189 104 HG22 VAL 14 HG22 VAL 14 -4.142 -1.220 -4.894 105 HG23 VAL 14 HG23 VAL 14 -5.522 -0.447 -4.115 106 H ALA 15 H ALA 15 -4.192 -2.798 -0.106 107 HA ALA 15 HA ALA 15 -1.845 -1.872 1.258 108 HB1 ALA 15 HB1 ALA 15 -3.046 -2.960 3.224 109 HB2 ALA 15 HB2 ALA 15 -4.232 -3.558 2.065 110 HB3 ALA 15 HB3 ALA 15 -4.020 -1.822 2.294 111 H LEU 16 H LEU 16 -2.986 -5.169 0.467 112 HA LEU 16 HA LEU 16 -0.936 -6.595 1.898 113 HB2 LEU 16 HB2 LEU 16 -3.206 -7.332 0.854 114 HB3 LEU 16 HB3 LEU 16 -2.284 -7.531 -0.637 115 HG LEU 16 HG LEU 16 -0.632 -8.891 0.885 116 HD11 LEU 16 HD11 LEU 16 -1.922 -10.104 2.685 117 HD12 LEU 16 HD12 LEU 16 -3.218 -8.928 2.467 118 HD13 LEU 16 HD13 LEU 16 -1.633 -8.398 3.029 119 HD21 LEU 16 HD21 LEU 16 -2.082 -10.946 0.512 120 HD22 LEU 16 HD22 LEU 16 -1.825 -9.948 -0.920 121 HD23 LEU 16 HD23 LEU 16 -3.352 -9.855 -0.043 122 H VAL 17 H VAL 17 -1.124 -5.385 -1.457 123 HA VAL 17 HA VAL 17 1.290 -6.598 -2.429 124 HB VAL 17 HB VAL 17 -0.251 -4.087 -3.175 125 HG11 VAL 17 HG11 VAL 17 1.854 -5.539 -4.808 126 HG12 VAL 17 HG12 VAL 17 2.129 -4.013 -3.966 127 HG13 VAL 17 HG13 VAL 17 0.960 -4.095 -5.285 128 HG21 VAL 17 HG21 VAL 17 -1.005 -6.707 -3.376 129 HG22 VAL 17 HG22 VAL 17 -0.192 -6.477 -4.924 130 HG23 VAL 17 HG23 VAL 17 -1.549 -5.443 -4.478 131 H VAL 18 H VAL 18 0.674 -3.543 -0.711 132 HA VAL 18 HA VAL 18 3.445 -2.606 -0.966 133 HB VAL 18 HB VAL 18 1.066 -1.702 0.696 134 HG11 VAL 18 HG11 VAL 18 2.924 -0.739 1.771 135 HG12 VAL 18 HG12 VAL 18 2.453 0.504 0.611 136 HG13 VAL 18 HG13 VAL 18 3.819 -0.556 0.263 137 HG21 VAL 18 HG21 VAL 18 1.431 -1.612 -2.056 138 HG22 VAL 18 HG22 VAL 18 1.986 -0.023 -1.529 139 HG23 VAL 18 HG23 VAL 18 0.354 -0.565 -1.133 140 H MET 19 H MET 19 1.498 -4.322 1.457 141 HA MET 19 HA MET 19 3.122 -4.019 3.757 142 HB2 MET 19 HB2 MET 19 1.226 -6.070 2.666 143 HB3 MET 19 HB3 MET 19 2.153 -6.480 4.109 144 HG2 MET 19 HG2 MET 19 0.774 -3.821 4.002 145 HG3 MET 19 HG3 MET 19 -0.193 -5.261 4.320 146 HE1 MET 19 HE1 MET 19 0.641 -6.516 7.640 147 HE2 MET 19 HE2 MET 19 1.281 -7.230 6.161 148 HE3 MET 19 HE3 MET 19 -0.333 -6.525 6.163 149 H SER 20 H SER 20 3.228 -6.734 1.395 150 HA SER 20 HA SER 20 5.614 -7.935 2.450 151 HB2 SER 20 HB2 SER 20 4.142 -7.989 -0.187 152 HB3 SER 20 HB3 SER 20 5.623 -8.916 0.042 153 HG SER 20 HG SER 20 4.286 -10.327 0.866 154 H ARG 21 H ARG 21 5.094 -5.594 -0.205 155 HA ARG 21 HA ARG 21 7.776 -5.394 -1.139 156 HB2 ARG 21 HB2 ARG 21 5.483 -4.431 -1.975 157 HB3 ARG 21 HB3 ARG 21 5.886 -3.053 -0.952 158 HG2 ARG 21 HG2 ARG 21 6.953 -2.324 -2.841 159 HG3 ARG 21 HG3 ARG 21 8.245 -3.367 -2.248 160 HD2 ARG 21 HD2 ARG 21 7.870 -3.936 -4.578 161 HD3 ARG 21 HD3 ARG 21 7.186 -5.255 -3.608 162 HE ARG 21 HE ARG 21 5.336 -3.042 -4.270 163 HH11 ARG 21 HH11 ARG 21 4.284 -5.674 -3.468 164 HH12 ARG 21 HH12 ARG 21 3.880 -6.416 -4.982 165 HH21 ARG 21 HH21 ARG 21 5.789 -4.209 -6.870 166 HH22 ARG 21 HH22 ARG 21 4.730 -5.580 -6.915 167 H PHE 22 H PHE 22 6.105 -3.694 1.523 168 HA PHE 22 HA PHE 22 8.173 -1.834 2.187 169 HB2 PHE 22 HB2 PHE 22 5.726 -2.005 2.964 170 HB3 PHE 22 HB3 PHE 22 6.290 -3.208 4.122 171 HD1 PHE 22 HD1 PHE 22 6.619 0.331 3.051 172 HD2 PHE 22 HD2 PHE 22 7.540 -2.580 6.073 173 HE1 PHE 22 HE2 PHE 22 7.367 2.144 4.571 174 HE2 PHE 22 HE1 PHE 22 8.287 -0.768 7.592 175 HZ PHE 22 HZ PHE 22 8.201 1.594 6.840 176 H GLY 23 H GLY 23 7.496 -5.114 3.492 177 HA2 GLY 23 HA2 GLY 23 9.766 -5.190 5.253 178 HA3 GLY 23 HA3 GLY 23 8.883 -6.603 4.670 179 H PHE 24 H PHE 24 9.274 -6.299 1.898 180 HA PHE 24 HA PHE 24 11.826 -7.508 1.478 181 HB2 PHE 24 HB2 PHE 24 9.496 -6.675 -0.013 182 HB3 PHE 24 HB3 PHE 24 10.948 -6.225 -0.906 183 HD1 PHE 24 HD1 PHE 24 9.199 -9.070 0.744 184 HD2 PHE 24 HD2 PHE 24 12.315 -7.868 -1.959 185 HE1 PHE 24 HE1 PHE 24 9.509 -11.431 0.049 186 HE2 PHE 24 HE2 PHE 24 12.624 -10.228 -2.653 187 HZ PHE 24 HZ PHE 24 11.220 -12.010 -1.649 188 H PHE 25 H PHE 25 10.750 -4.119 1.112 189 HA PHE 25 HA PHE 25 13.199 -3.087 0.011 190 HB2 PHE 25 HB2 PHE 25 10.630 -2.159 0.963 191 HB3 PHE 25 HB3 PHE 25 11.902 -1.098 1.565 192 HD1 PHE 25 HD1 PHE 25 13.806 -0.561 -0.265 193 HD2 PHE 25 HD2 PHE 25 9.752 -1.683 -1.140 194 HE1 PHE 25 HE1 PHE 25 14.001 0.480 -2.507 195 HE2 PHE 25 HE2 PHE 25 9.948 -0.642 -3.382 196 HZ PHE 25 HZ PHE 25 12.073 0.440 -4.066 197 H ALA 26 H ALA 26 12.022 -3.387 3.377 198 HA ALA 26 HA ALA 26 14.214 -2.038 4.649 199 HB1 ALA 26 HB1 ALA 26 12.538 -4.334 5.706 200 HB2 ALA 26 HB2 ALA 26 11.944 -2.678 5.589 201 HB3 ALA 26 HB3 ALA 26 13.304 -3.055 6.648 202 H HIS 27 H HIS 27 13.741 -5.417 3.646 203 HA HIS 27 HA HIS 27 16.126 -6.460 4.924 204 HB2 HIS 27 HB2 HIS 27 13.946 -7.598 4.029 205 HB3 HIS 27 HB3 HIS 27 14.780 -7.600 2.476 206 HD1 HIS 27 HD1 HIS 27 15.487 -10.004 2.230 207 HD2 HIS 27 HD2 HIS 27 16.436 -8.475 5.991 208 HE1 HIS 27 HE1 HIS 27 16.867 -11.777 3.397 209 H LEU 28 H LEU 28 15.432 -5.036 1.746 210 HA LEU 28 HA LEU 28 18.102 -5.718 0.683 211 HB2 LEU 28 HB2 LEU 28 15.649 -4.245 -0.297 212 HB3 LEU 28 HB3 LEU 28 17.140 -4.273 -1.238 213 HG LEU 28 HG LEU 28 15.867 -6.815 -0.214 214 HD11 LEU 28 HD11 LEU 28 15.481 -5.816 -3.024 215 HD12 LEU 28 HD12 LEU 28 14.379 -5.292 -1.749 216 HD13 LEU 28 HD13 LEU 28 14.539 -7.007 -2.128 217 HD21 LEU 28 HD21 LEU 28 17.141 -7.754 -2.162 218 HD22 LEU 28 HD22 LEU 28 18.182 -7.000 -0.954 219 HD23 LEU 28 HD23 LEU 28 17.807 -6.146 -2.452 220 H LEU 29 H LEU 29 16.310 -2.723 1.526 221 HA LEU 29 HA LEU 29 18.808 -1.133 1.313 222 HB2 LEU 29 HB2 LEU 29 16.611 -0.407 0.350 223 HB3 LEU 29 HB3 LEU 29 15.953 -0.346 1.984 224 HG LEU 29 HG LEU 29 18.115 1.174 2.394 225 HD11 LEU 29 HD11 LEU 29 17.416 1.733 -0.503 226 HD12 LEU 29 HD12 LEU 29 18.849 0.839 0.005 227 HD13 LEU 29 HD13 LEU 29 18.657 2.530 0.465 228 HD21 LEU 29 HD21 LEU 29 15.817 1.891 2.807 229 HD22 LEU 29 HD22 LEU 29 15.534 2.077 1.077 230 HD23 LEU 29 HD23 LEU 29 16.661 3.151 1.907 231 HA PRO 30 HA PRO 30 19.204 -1.780 5.755 232 HB2 PRO 30 HB2 PRO 30 21.701 -0.679 5.963 233 HB3 PRO 30 HB3 PRO 30 21.419 -2.331 5.383 234 HG2 PRO 30 HG2 PRO 30 22.004 0.140 3.842 235 HG3 PRO 30 HG3 PRO 30 22.535 -1.524 3.555 236 HD2 PRO 30 HD2 PRO 30 20.510 -0.296 2.175 237 HD3 PRO 30 HD3 PRO 30 20.654 -2.055 2.381 238 H ARG 31 H ARG 31 17.492 -0.114 6.050 239 HA ARG 31 HA ARG 31 18.628 2.461 7.039 240 HB2 ARG 31 HB2 ARG 31 17.190 2.056 4.591 241 HB3 ARG 31 HB3 ARG 31 16.157 2.978 5.682 242 HG2 ARG 31 HG2 ARG 31 17.348 4.752 4.874 243 HG3 ARG 31 HG3 ARG 31 18.521 4.248 6.091 244 HD2 ARG 31 HD2 ARG 31 19.902 3.184 4.504 245 HD3 ARG 31 HD3 ARG 31 18.591 3.055 3.314 246 HE ARG 31 HE ARG 31 18.766 5.473 2.937 247 HH11 ARG 31 HH11 ARG 31 19.874 6.293 5.592 248 HH12 ARG 31 HH12 ARG 31 21.527 6.639 5.213 249 HH21 ARG 31 HH21 ARG 31 21.454 4.956 2.172 250 HH22 ARG 31 HH22 ARG 31 22.426 5.879 3.269 Start of MODEL 38 1 HA ASP 1 HA ASP 1 -24.188 6.808 7.513 2 HB2 ASP 1 HB2 ASP 1 -22.392 6.847 5.079 3 HB3 ASP 1 HB3 ASP 1 -24.139 7.025 4.928 4 H THR 2 H THR 2 -25.797 5.279 7.227 5 HA THR 2 HA THR 2 -25.119 2.491 6.850 6 HB THR 2 HB THR 2 -27.738 2.417 6.700 7 HG1 THR 2 HG1 THR 2 -28.087 4.548 6.152 8 HG21 THR 2 HG21 THR 2 -26.377 1.908 8.718 9 HG22 THR 2 HG22 THR 2 -27.897 2.710 9.117 10 HG23 THR 2 HG23 THR 2 -26.389 3.624 9.129 11 H GLU 3 H GLU 3 -24.396 1.852 4.844 12 HA GLU 3 HA GLU 3 -25.993 2.699 2.445 13 HB2 GLU 3 HB2 GLU 3 -23.604 3.565 2.780 14 HB3 GLU 3 HB3 GLU 3 -23.071 1.900 2.547 15 HG2 GLU 3 HG2 GLU 3 -24.868 2.404 0.440 16 HG3 GLU 3 HG3 GLU 3 -23.869 3.854 0.560 17 H ILE 4 H ILE 4 -27.334 0.895 2.253 18 HA ILE 4 HA ILE 4 -27.973 -1.399 2.183 19 HB ILE 4 HB ILE 4 -26.886 -2.409 0.157 20 HG12 ILE 4 HG12 ILE 4 -25.290 0.155 -0.009 21 HG13 ILE 4 HG13 ILE 4 -24.616 -1.311 0.704 22 HG21 ILE 4 HG21 ILE 4 -28.058 -1.018 -1.247 23 HG22 ILE 4 HG22 ILE 4 -27.369 0.448 -0.547 24 HG23 ILE 4 HG23 ILE 4 -28.664 -0.407 0.292 25 HD11 ILE 4 HD11 ILE 4 -25.865 -1.291 -2.048 26 HD12 ILE 4 HD12 ILE 4 -24.822 -2.522 -1.337 27 HD13 ILE 4 HD13 ILE 4 -24.153 -0.953 -1.788 28 H ILE 5 H ILE 5 -26.654 -1.444 4.459 29 HA ILE 5 HA ILE 5 -25.382 -2.778 5.928 30 HB ILE 5 HB ILE 5 -25.503 -4.731 3.601 31 HG12 ILE 5 HG12 ILE 5 -27.523 -4.559 5.837 32 HG13 ILE 5 HG13 ILE 5 -27.723 -3.592 4.377 33 HG21 ILE 5 HG21 ILE 5 -25.076 -4.975 6.577 34 HG22 ILE 5 HG22 ILE 5 -24.115 -5.660 5.267 35 HG23 ILE 5 HG23 ILE 5 -25.703 -6.331 5.639 36 HD11 ILE 5 HD11 ILE 5 -27.615 -5.635 3.001 37 HD12 ILE 5 HD12 ILE 5 -28.921 -5.741 4.181 38 HD13 ILE 5 HD13 ILE 5 -27.410 -6.608 4.458 39 H GLY 6 H GLY 6 -23.826 -0.905 4.649 40 HA2 GLY 6 HA2 GLY 6 -21.457 -2.305 3.533 41 HA3 GLY 6 HA3 GLY 6 -21.722 -0.561 3.517 42 H GLY 7 H GLY 7 -19.985 -2.993 5.013 43 HA2 GLY 7 HA2 GLY 7 -19.737 -1.531 7.595 44 HA3 GLY 7 HA3 GLY 7 -19.151 -3.165 7.289 45 H LEU 8 H LEU 8 -17.284 -3.346 5.738 46 HA LEU 8 HA LEU 8 -15.648 -0.882 5.432 47 HB2 LEU 8 HB2 LEU 8 -15.412 -2.468 7.661 48 HB3 LEU 8 HB3 LEU 8 -14.224 -3.211 6.592 49 HG LEU 8 HG LEU 8 -13.190 -1.441 7.964 50 HD11 LEU 8 HD11 LEU 8 -11.924 -0.548 6.245 51 HD12 LEU 8 HD12 LEU 8 -13.331 -0.233 5.229 52 HD13 LEU 8 HD13 LEU 8 -12.709 -1.875 5.390 53 HD21 LEU 8 HD21 LEU 8 -15.389 -0.104 8.070 54 HD22 LEU 8 HD22 LEU 8 -14.935 0.543 6.493 55 HD23 LEU 8 HD23 LEU 8 -13.901 0.828 7.893 56 H THR 9 H THR 9 -16.442 -1.675 3.174 57 HA THR 9 HA THR 9 -15.168 -4.074 2.078 58 HB THR 9 HB THR 9 -16.109 -2.906 -0.081 59 HG1 THR 9 HG1 THR 9 -17.126 -1.101 0.235 60 HG21 THR 9 HG21 THR 9 -17.953 -3.726 2.180 61 HG22 THR 9 HG22 THR 9 -17.141 -4.835 1.076 62 HG23 THR 9 HG23 THR 9 -18.359 -3.716 0.464 63 H ILE 10 H ILE 10 -12.903 -3.783 2.241 64 HA ILE 10 HA ILE 10 -11.768 -1.638 0.476 65 HB ILE 10 HB ILE 10 -9.876 -1.565 2.168 66 HG12 ILE 10 HG12 ILE 10 -11.822 -2.925 4.039 67 HG13 ILE 10 HG13 ILE 10 -10.613 -3.851 3.149 68 HG21 ILE 10 HG21 ILE 10 -12.634 -0.873 3.224 69 HG22 ILE 10 HG22 ILE 10 -11.703 0.119 2.102 70 HG23 ILE 10 HG23 ILE 10 -11.110 -0.152 3.740 71 HD11 ILE 10 HD11 ILE 10 -9.764 -3.231 5.377 72 HD12 ILE 10 HD12 ILE 10 -10.038 -1.527 5.012 73 HD13 ILE 10 HD13 ILE 10 -8.827 -2.439 4.110 74 HA PRO 11 HA PRO 11 -9.601 -4.992 -1.379 75 HB2 PRO 11 HB2 PRO 11 -7.489 -3.650 -2.481 76 HB3 PRO 11 HB3 PRO 11 -9.140 -3.548 -3.122 77 HG2 PRO 11 HG2 PRO 11 -7.635 -1.613 -1.452 78 HG3 PRO 11 HG3 PRO 11 -8.817 -1.320 -2.736 79 HD2 PRO 11 HD2 PRO 11 -9.351 -1.144 -0.036 80 HD3 PRO 11 HD3 PRO 11 -10.575 -1.400 -1.298 81 HA PRO 12 HA PRO 12 -6.637 -5.753 1.945 82 HB2 PRO 12 HB2 PRO 12 -6.527 -8.464 1.589 83 HB3 PRO 12 HB3 PRO 12 -7.840 -7.657 2.468 84 HG2 PRO 12 HG2 PRO 12 -7.795 -8.721 -0.304 85 HG3 PRO 12 HG3 PRO 12 -9.107 -8.714 0.883 86 HD2 PRO 12 HD2 PRO 12 -8.923 -6.966 -1.224 87 HD3 PRO 12 HD3 PRO 12 -9.809 -6.631 0.279 88 H VAL 13 H VAL 13 -6.433 -7.160 -1.336 89 HA VAL 13 HA VAL 13 -3.645 -7.838 -1.289 90 HB VAL 13 HB VAL 13 -5.569 -7.096 -3.521 91 HG11 VAL 13 HG11 VAL 13 -3.829 -8.582 -4.825 92 HG12 VAL 13 HG12 VAL 13 -2.724 -8.065 -3.552 93 HG13 VAL 13 HG13 VAL 13 -3.502 -6.866 -4.584 94 HG21 VAL 13 HG21 VAL 13 -5.560 -9.608 -3.828 95 HG22 VAL 13 HG22 VAL 13 -6.286 -9.067 -2.314 96 HG23 VAL 13 HG23 VAL 13 -4.650 -9.727 -2.321 97 H VAL 14 H VAL 14 -5.345 -4.867 -2.367 98 HA VAL 14 HA VAL 14 -3.115 -3.428 -3.377 99 HB VAL 14 HB VAL 14 -5.666 -2.601 -1.953 100 HG11 VAL 14 HG11 VAL 14 -5.165 -0.357 -3.147 101 HG12 VAL 14 HG12 VAL 14 -3.496 -0.923 -3.217 102 HG13 VAL 14 HG13 VAL 14 -4.288 -0.702 -1.656 103 HG21 VAL 14 HG21 VAL 14 -6.472 -2.157 -4.193 104 HG22 VAL 14 HG22 VAL 14 -5.778 -3.778 -4.189 105 HG23 VAL 14 HG23 VAL 14 -4.869 -2.431 -4.876 106 H ALA 15 H ALA 15 -4.463 -3.436 -0.050 107 HA ALA 15 HA ALA 15 -2.446 -1.749 1.115 108 HB1 ALA 15 HB1 ALA 15 -4.614 -2.166 2.152 109 HB2 ALA 15 HB2 ALA 15 -3.356 -2.768 3.234 110 HB3 ALA 15 HB3 ALA 15 -4.278 -3.896 2.238 111 H LEU 16 H LEU 16 -2.678 -5.256 0.601 112 HA LEU 16 HA LEU 16 -0.415 -6.048 2.187 113 HB2 LEU 16 HB2 LEU 16 -2.350 -7.170 0.365 114 HB3 LEU 16 HB3 LEU 16 -0.750 -7.773 -0.055 115 HG LEU 16 HG LEU 16 -1.877 -9.216 1.622 116 HD11 LEU 16 HD11 LEU 16 0.704 -8.565 1.555 117 HD12 LEU 16 HD12 LEU 16 0.056 -9.594 2.832 118 HD13 LEU 16 HD13 LEU 16 0.327 -7.878 3.136 119 HD21 LEU 16 HD21 LEU 16 -2.598 -8.436 3.700 120 HD22 LEU 16 HD22 LEU 16 -2.993 -7.065 2.665 121 HD23 LEU 16 HD23 LEU 16 -1.534 -7.030 3.655 122 H VAL 17 H VAL 17 -0.734 -5.171 -1.272 123 HA VAL 17 HA VAL 17 1.971 -5.713 -2.045 124 HB VAL 17 HB VAL 17 -0.149 -3.776 -3.033 125 HG11 VAL 17 HG11 VAL 17 1.830 -2.854 -3.923 126 HG12 VAL 17 HG12 VAL 17 1.291 -3.952 -5.194 127 HG13 VAL 17 HG13 VAL 17 2.592 -4.435 -4.107 128 HG21 VAL 17 HG21 VAL 17 0.083 -6.574 -3.159 129 HG22 VAL 17 HG22 VAL 17 0.583 -6.006 -4.752 130 HG23 VAL 17 HG23 VAL 17 -1.001 -5.565 -4.116 131 H VAL 18 H VAL 18 0.438 -2.780 -0.693 132 HA VAL 18 HA VAL 18 2.744 -1.062 -0.911 133 HB VAL 18 HB VAL 18 0.347 -1.092 0.961 134 HG11 VAL 18 HG11 VAL 18 2.170 1.237 0.290 135 HG12 VAL 18 HG12 VAL 18 2.310 0.286 1.769 136 HG13 VAL 18 HG13 VAL 18 0.846 1.219 1.455 137 HG21 VAL 18 HG21 VAL 18 0.128 0.987 -0.894 138 HG22 VAL 18 HG22 VAL 18 -0.749 -0.541 -0.941 139 HG23 VAL 18 HG23 VAL 18 0.758 -0.362 -1.838 140 H MET 19 H MET 19 1.487 -3.063 1.785 141 HA MET 19 HA MET 19 3.631 -2.432 3.621 142 HB2 MET 19 HB2 MET 19 1.224 -3.414 3.951 143 HB3 MET 19 HB3 MET 19 2.000 -4.968 3.639 144 HG2 MET 19 HG2 MET 19 2.695 -5.019 5.779 145 HG3 MET 19 HG3 MET 19 3.664 -3.579 5.474 146 HE1 MET 19 HE1 MET 19 1.047 -5.193 7.382 147 HE2 MET 19 HE2 MET 19 -0.076 -4.734 6.106 148 HE3 MET 19 HE3 MET 19 -0.242 -4.026 7.711 149 H SER 20 H SER 20 3.092 -5.073 1.279 150 HA SER 20 HA SER 20 5.369 -6.670 2.042 151 HB2 SER 20 HB2 SER 20 3.295 -7.269 0.652 152 HB3 SER 20 HB3 SER 20 4.094 -6.467 -0.697 153 HG SER 20 HG SER 20 4.427 -8.930 0.084 154 H ARG 21 H ARG 21 4.936 -4.078 -0.394 155 HA ARG 21 HA ARG 21 7.453 -4.276 -1.696 156 HB2 ARG 21 HB2 ARG 21 5.411 -2.856 -2.257 157 HB3 ARG 21 HB3 ARG 21 5.962 -1.725 -1.020 158 HG2 ARG 21 HG2 ARG 21 8.196 -1.661 -2.242 159 HG3 ARG 21 HG3 ARG 21 7.408 -2.536 -3.554 160 HD2 ARG 21 HD2 ARG 21 7.312 -0.145 -4.053 161 HD3 ARG 21 HD3 ARG 21 5.674 -0.689 -3.641 162 HE ARG 21 HE ARG 21 5.797 0.669 -1.715 163 HH11 ARG 21 HH11 ARG 21 8.233 1.955 -3.193 164 HH12 ARG 21 HH12 ARG 21 9.375 2.009 -1.893 165 HH21 ARG 21 HH21 ARG 21 7.567 -0.172 0.125 166 HH22 ARG 21 HH22 ARG 21 8.996 0.798 -0.004 167 H PHE 22 H PHE 22 6.554 -2.421 1.239 168 HA PHE 22 HA PHE 22 9.271 -1.414 1.651 169 HB2 PHE 22 HB2 PHE 22 6.680 -0.825 2.522 170 HB3 PHE 22 HB3 PHE 22 7.478 -1.445 3.966 171 HD1 PHE 22 HD1 PHE 22 10.044 -0.564 4.194 172 HD2 PHE 22 HD2 PHE 22 6.854 1.465 2.150 173 HE1 PHE 22 HE2 PHE 22 11.244 1.590 4.454 174 HE2 PHE 22 HE1 PHE 22 8.057 3.617 2.410 175 HZ PHE 22 HZ PHE 22 10.252 3.679 3.562 176 H GLY 23 H GLY 23 7.265 -4.033 3.017 177 HA2 GLY 23 HA2 GLY 23 9.067 -4.872 5.063 178 HA3 GLY 23 HA3 GLY 23 7.855 -5.904 4.303 179 H PHE 24 H PHE 24 8.739 -5.924 1.656 180 HA PHE 24 HA PHE 24 10.830 -7.888 1.701 181 HB2 PHE 24 HB2 PHE 24 9.198 -6.394 -0.254 182 HB3 PHE 24 HB3 PHE 24 10.774 -6.887 -0.869 183 HD1 PHE 24 HD1 PHE 24 11.482 -9.360 -0.424 184 HD2 PHE 24 HD2 PHE 24 7.433 -7.941 -0.201 185 HE1 PHE 24 HE1 PHE 24 10.652 -11.681 -0.700 186 HE2 PHE 24 HE2 PHE 24 6.606 -10.260 -0.476 187 HZ PHE 24 HZ PHE 24 8.214 -12.131 -0.726 188 H PHE 25 H PHE 25 10.867 -4.389 0.936 189 HA PHE 25 HA PHE 25 13.602 -4.190 0.136 190 HB2 PHE 25 HB2 PHE 25 11.493 -2.538 0.204 191 HB3 PHE 25 HB3 PHE 25 12.285 -1.998 1.686 192 HD1 PHE 25 HD1 PHE 25 14.717 -1.278 1.589 193 HD2 PHE 25 HD2 PHE 25 12.349 -1.949 -1.932 194 HE1 PHE 25 HE1 PHE 25 16.350 0.014 0.244 195 HE2 PHE 25 HE2 PHE 25 13.984 -0.657 -3.277 196 HZ PHE 25 HZ PHE 25 15.985 0.324 -2.188 197 H ALA 26 H ALA 26 12.087 -4.092 3.359 198 HA ALA 26 HA ALA 26 14.385 -3.273 4.865 199 HB1 ALA 26 HB1 ALA 26 12.278 -5.192 5.850 200 HB2 ALA 26 HB2 ALA 26 11.850 -3.527 5.452 201 HB3 ALA 26 HB3 ALA 26 13.039 -3.855 6.712 202 H HIS 27 H HIS 27 13.371 -6.430 3.615 203 HA HIS 27 HA HIS 27 15.611 -7.782 5.045 204 HB2 HIS 27 HB2 HIS 27 12.953 -8.425 4.350 205 HB3 HIS 27 HB3 HIS 27 13.966 -9.445 3.329 206 HD1 HIS 27 HD1 HIS 27 15.936 -10.780 4.701 207 HD2 HIS 27 HD2 HIS 27 12.724 -9.355 6.946 208 HE1 HIS 27 HE1 HIS 27 15.987 -12.034 6.902 209 H LEU 28 H LEU 28 15.050 -6.293 2.032 210 HA LEU 28 HA LEU 28 16.930 -8.116 0.591 211 HB2 LEU 28 HB2 LEU 28 14.769 -6.169 -0.138 212 HB3 LEU 28 HB3 LEU 28 16.064 -6.441 -1.303 213 HG LEU 28 HG LEU 28 14.684 -8.788 -0.022 214 HD11 LEU 28 HD11 LEU 28 13.291 -8.710 -2.246 215 HD12 LEU 28 HD12 LEU 28 13.651 -6.984 -2.195 216 HD13 LEU 28 HD13 LEU 28 12.771 -7.741 -0.867 217 HD21 LEU 28 HD21 LEU 28 16.789 -9.001 -1.413 218 HD22 LEU 28 HD22 LEU 28 15.865 -8.393 -2.788 219 HD23 LEU 28 HD23 LEU 28 15.415 -9.920 -2.030 220 H LEU 29 H LEU 29 16.317 -4.573 0.684 221 HA LEU 29 HA LEU 29 17.805 -2.750 0.751 222 HB2 LEU 29 HB2 LEU 29 18.885 -4.900 2.393 223 HB3 LEU 29 HB3 LEU 29 20.176 -3.902 1.726 224 HG LEU 29 HG LEU 29 18.362 -1.995 2.491 225 HD11 LEU 29 HD11 LEU 29 17.829 -2.729 4.902 226 HD12 LEU 29 HD12 LEU 29 18.141 -4.372 4.343 227 HD13 LEU 29 HD13 LEU 29 16.840 -3.427 3.619 228 HD21 LEU 29 HD21 LEU 29 20.346 -3.098 4.473 229 HD22 LEU 29 HD22 LEU 29 19.965 -1.416 4.109 230 HD23 LEU 29 HD23 LEU 29 20.905 -2.373 2.966 231 HA PRO 30 HA PRO 30 20.354 -2.870 -2.825 232 HB2 PRO 30 HB2 PRO 30 22.472 -1.245 -2.205 233 HB3 PRO 30 HB3 PRO 30 20.836 -0.630 -2.520 234 HG2 PRO 30 HG2 PRO 30 22.218 -1.087 0.076 235 HG3 PRO 30 HG3 PRO 30 21.142 0.230 -0.412 236 HD2 PRO 30 HD2 PRO 30 20.347 -1.858 1.143 237 HD3 PRO 30 HD3 PRO 30 19.248 -0.962 0.071 238 H ARG 31 H ARG 31 21.377 -4.788 -3.304 239 HA ARG 31 HA ARG 31 24.006 -5.358 -2.013 240 HB2 ARG 31 HB2 ARG 31 21.486 -6.717 -1.574 241 HB3 ARG 31 HB3 ARG 31 22.649 -7.826 -2.300 242 HG2 ARG 31 HG2 ARG 31 24.311 -7.177 -0.567 243 HG3 ARG 31 HG3 ARG 31 23.093 -6.147 0.186 244 HD2 ARG 31 HD2 ARG 31 21.648 -8.383 0.138 245 HD3 ARG 31 HD3 ARG 31 23.254 -9.140 0.111 246 HE ARG 31 HE ARG 31 23.794 -7.850 2.175 247 HH11 ARG 31 HH11 ARG 31 21.350 -5.985 1.696 248 HH12 ARG 31 HH12 ARG 31 20.320 -6.492 2.991 249 HH21 ARG 31 HH21 ARG 31 22.116 -9.404 3.625 250 HH22 ARG 31 HH22 ARG 31 20.754 -8.439 4.087 Start of MODEL 39 1 HA ASP 1 HA ASP 1 -30.248 -8.427 -2.009 2 HB2 ASP 1 HB2 ASP 1 -28.533 -9.431 -3.404 3 HB3 ASP 1 HB3 ASP 1 -29.119 -10.668 -2.296 4 H THR 2 H THR 2 -29.859 -6.885 -3.741 5 HA THR 2 HA THR 2 -31.743 -7.088 -6.069 6 HB THR 2 HB THR 2 -31.164 -4.627 -4.385 7 HG1 THR 2 HG1 THR 2 -32.869 -5.131 -3.233 8 HG21 THR 2 HG21 THR 2 -33.143 -5.214 -6.602 9 HG22 THR 2 HG22 THR 2 -31.818 -4.049 -6.640 10 HG23 THR 2 HG23 THR 2 -33.203 -3.774 -5.585 11 H GLU 3 H GLU 3 -30.871 -6.394 -8.012 12 HA GLU 3 HA GLU 3 -29.233 -5.754 -9.577 13 HB2 GLU 3 HB2 GLU 3 -29.755 -3.710 -7.837 14 HB3 GLU 3 HB3 GLU 3 -28.006 -3.859 -7.663 15 HG2 GLU 3 HG2 GLU 3 -27.600 -3.328 -9.893 16 HG3 GLU 3 HG3 GLU 3 -29.202 -3.852 -10.415 17 H ILE 4 H ILE 4 -28.519 -7.943 -7.658 18 HA ILE 4 HA ILE 4 -26.639 -9.234 -7.080 19 HB ILE 4 HB ILE 4 -25.441 -7.433 -9.212 20 HG12 ILE 4 HG12 ILE 4 -26.378 -10.270 -9.596 21 HG13 ILE 4 HG13 ILE 4 -27.542 -8.947 -9.664 22 HG21 ILE 4 HG21 ILE 4 -23.774 -9.207 -9.501 23 HG22 ILE 4 HG22 ILE 4 -24.523 -10.146 -8.210 24 HG23 ILE 4 HG23 ILE 4 -23.733 -8.612 -7.842 25 HD11 ILE 4 HD11 ILE 4 -25.621 -7.921 -11.259 26 HD12 ILE 4 HD12 ILE 4 -26.930 -8.930 -11.874 27 HD13 ILE 4 HD13 ILE 4 -25.347 -9.639 -11.548 28 H ILE 5 H ILE 5 -26.270 -8.557 -4.942 29 HA ILE 5 HA ILE 5 -25.076 -6.090 -4.133 30 HB ILE 5 HB ILE 5 -26.377 -7.735 -2.736 31 HG12 ILE 5 HG12 ILE 5 -23.670 -7.265 -1.488 32 HG13 ILE 5 HG13 ILE 5 -24.737 -5.912 -1.866 33 HG21 ILE 5 HG21 ILE 5 -25.069 -9.737 -3.630 34 HG22 ILE 5 HG22 ILE 5 -25.326 -9.712 -1.886 35 HG23 ILE 5 HG23 ILE 5 -23.761 -9.250 -2.553 36 HD11 ILE 5 HD11 ILE 5 -26.372 -6.604 -0.341 37 HD12 ILE 5 HD12 ILE 5 -24.880 -7.022 0.503 38 HD13 ILE 5 HD13 ILE 5 -25.800 -8.273 -0.334 39 H GLY 6 H GLY 6 -23.657 -9.028 -5.388 40 HA2 GLY 6 HA2 GLY 6 -20.937 -8.260 -4.516 41 HA3 GLY 6 HA3 GLY 6 -21.367 -9.738 -5.379 42 H GLY 7 H GLY 7 -21.307 -6.191 -5.882 43 HA2 GLY 7 HA2 GLY 7 -21.061 -6.573 -8.795 44 HA3 GLY 7 HA3 GLY 7 -21.157 -5.023 -7.958 45 H LEU 8 H LEU 8 -19.100 -5.018 -6.218 46 HA LEU 8 HA LEU 8 -16.616 -6.034 -7.386 47 HB2 LEU 8 HB2 LEU 8 -17.479 -3.997 -8.762 48 HB3 LEU 8 HB3 LEU 8 -17.006 -3.036 -7.361 49 HG LEU 8 HG LEU 8 -14.753 -4.445 -7.613 50 HD11 LEU 8 HD11 LEU 8 -15.876 -5.671 -9.596 51 HD12 LEU 8 HD12 LEU 8 -14.234 -5.072 -9.834 52 HD13 LEU 8 HD13 LEU 8 -15.602 -4.180 -10.498 53 HD21 LEU 8 HD21 LEU 8 -14.901 -1.998 -7.692 54 HD22 LEU 8 HD22 LEU 8 -15.526 -2.070 -9.340 55 HD23 LEU 8 HD23 LEU 8 -13.870 -2.574 -9.002 56 H THR 9 H THR 9 -16.744 -6.793 -5.057 57 HA THR 9 HA THR 9 -16.546 -4.857 -2.893 58 HB THR 9 HB THR 9 -15.806 -7.033 -1.675 59 HG1 THR 9 HG1 THR 9 -15.115 -8.143 -3.517 60 HG21 THR 9 HG21 THR 9 -18.039 -6.400 -1.361 61 HG22 THR 9 HG22 THR 9 -18.189 -8.012 -2.061 62 HG23 THR 9 HG23 THR 9 -18.434 -6.587 -3.070 63 H ILE 10 H ILE 10 -14.771 -3.555 -2.804 64 HA ILE 10 HA ILE 10 -12.254 -3.911 -3.998 65 HB ILE 10 HB ILE 10 -11.506 -2.273 -2.194 66 HG12 ILE 10 HG12 ILE 10 -14.288 -1.878 -1.301 67 HG13 ILE 10 HG13 ILE 10 -13.572 -3.385 -0.733 68 HG21 ILE 10 HG21 ILE 10 -14.150 -1.587 -3.504 69 HG22 ILE 10 HG22 ILE 10 -12.619 -1.649 -4.376 70 HG23 ILE 10 HG23 ILE 10 -12.847 -0.478 -3.077 71 HD11 ILE 10 HD11 ILE 10 -11.705 -2.207 0.252 72 HD12 ILE 10 HD12 ILE 10 -13.185 -1.424 0.804 73 HD13 ILE 10 HD13 ILE 10 -12.222 -0.685 -0.474 74 HA PRO 11 HA PRO 11 -10.820 -7.226 -1.319 75 HB2 PRO 11 HB2 PRO 11 -8.841 -8.083 -2.996 76 HB3 PRO 11 HB3 PRO 11 -10.546 -8.516 -3.215 77 HG2 PRO 11 HG2 PRO 11 -8.887 -6.580 -4.701 78 HG3 PRO 11 HG3 PRO 11 -10.280 -7.526 -5.239 79 HD2 PRO 11 HD2 PRO 11 -10.285 -4.813 -4.533 80 HD3 PRO 11 HD3 PRO 11 -11.711 -5.844 -4.763 81 HA PRO 12 HA PRO 12 -7.430 -4.929 0.428 82 HB2 PRO 12 HB2 PRO 12 -6.699 -6.735 2.346 83 HB3 PRO 12 HB3 PRO 12 -8.145 -5.717 2.472 84 HG2 PRO 12 HG2 PRO 12 -7.910 -8.583 1.750 85 HG3 PRO 12 HG3 PRO 12 -9.180 -7.745 2.652 86 HD2 PRO 12 HD2 PRO 12 -9.360 -8.503 0.002 87 HD3 PRO 12 HD3 PRO 12 -10.342 -7.237 0.768 88 H VAL 13 H VAL 13 -6.554 -5.782 -1.904 89 HA VAL 13 HA VAL 13 -4.250 -7.646 -1.473 90 HB VAL 13 HB VAL 13 -5.667 -6.629 -3.965 91 HG11 VAL 13 HG11 VAL 13 -3.348 -7.088 -4.504 92 HG12 VAL 13 HG12 VAL 13 -4.324 -8.429 -5.104 93 HG13 VAL 13 HG13 VAL 13 -3.398 -8.610 -3.615 94 HG21 VAL 13 HG21 VAL 13 -6.461 -8.976 -4.120 95 HG22 VAL 13 HG22 VAL 13 -7.005 -8.208 -2.628 96 HG23 VAL 13 HG23 VAL 13 -5.652 -9.340 -2.595 97 H VAL 14 H VAL 14 -5.097 -4.501 -2.959 98 HA VAL 14 HA VAL 14 -2.460 -3.679 -3.683 99 HB VAL 14 HB VAL 14 -4.861 -2.033 -2.795 100 HG11 VAL 14 HG11 VAL 14 -2.715 -0.771 -2.973 101 HG12 VAL 14 HG12 VAL 14 -3.896 -0.266 -4.180 102 HG13 VAL 14 HG13 VAL 14 -2.561 -1.321 -4.642 103 HG21 VAL 14 HG21 VAL 14 -4.129 -3.404 -5.376 104 HG22 VAL 14 HG22 VAL 14 -5.097 -1.931 -5.406 105 HG23 VAL 14 HG23 VAL 14 -5.687 -3.355 -4.551 106 H ALA 15 H ALA 15 -4.335 -3.117 -0.682 107 HA ALA 15 HA ALA 15 -2.399 -1.513 0.684 108 HB1 ALA 15 HB1 ALA 15 -3.751 -2.069 2.636 109 HB2 ALA 15 HB2 ALA 15 -4.408 -3.488 1.820 110 HB3 ALA 15 HB3 ALA 15 -4.825 -1.871 1.250 111 H LEU 16 H LEU 16 -2.883 -5.057 0.594 112 HA LEU 16 HA LEU 16 -0.883 -5.740 2.538 113 HB2 LEU 16 HB2 LEU 16 -2.804 -7.111 1.457 114 HB3 LEU 16 HB3 LEU 16 -1.665 -7.408 0.143 115 HG LEU 16 HG LEU 16 -0.029 -8.081 2.091 116 HD11 LEU 16 HD11 LEU 16 -1.293 -9.151 3.970 117 HD12 LEU 16 HD12 LEU 16 -2.769 -8.411 3.348 118 HD13 LEU 16 HD13 LEU 16 -1.455 -7.395 3.940 119 HD21 LEU 16 HD21 LEU 16 -2.359 -9.882 1.367 120 HD22 LEU 16 HD22 LEU 16 -0.742 -10.391 1.852 121 HD23 LEU 16 HD23 LEU 16 -0.983 -9.575 0.308 122 H VAL 17 H VAL 17 -0.729 -5.354 -1.018 123 HA VAL 17 HA VAL 17 1.985 -6.226 -1.360 124 HB VAL 17 HB VAL 17 0.182 -4.314 -2.884 125 HG11 VAL 17 HG11 VAL 17 2.952 -5.346 -3.491 126 HG12 VAL 17 HG12 VAL 17 2.331 -3.701 -3.636 127 HG13 VAL 17 HG13 VAL 17 1.836 -4.936 -4.794 128 HG21 VAL 17 HG21 VAL 17 -0.785 -6.238 -3.558 129 HG22 VAL 17 HG22 VAL 17 0.387 -7.188 -2.645 130 HG23 VAL 17 HG23 VAL 17 0.743 -6.702 -4.303 131 H VAL 18 H VAL 18 0.577 -3.014 -0.664 132 HA VAL 18 HA VAL 18 2.987 -1.477 -0.854 133 HB VAL 18 HB VAL 18 0.461 -1.184 0.814 134 HG11 VAL 18 HG11 VAL 18 1.110 1.252 0.877 135 HG12 VAL 18 HG12 VAL 18 2.687 0.793 0.235 136 HG13 VAL 18 HG13 VAL 18 2.174 0.205 1.817 137 HG21 VAL 18 HG21 VAL 18 0.752 -1.117 -1.911 138 HG22 VAL 18 HG22 VAL 18 0.997 0.578 -1.499 139 HG23 VAL 18 HG23 VAL 18 -0.494 -0.236 -1.028 140 H MET 19 H MET 19 1.428 -3.054 1.964 141 HA MET 19 HA MET 19 3.447 -2.367 3.892 142 HB2 MET 19 HB2 MET 19 1.029 -3.260 4.154 143 HB3 MET 19 HB3 MET 19 1.727 -4.858 3.891 144 HG2 MET 19 HG2 MET 19 3.270 -4.487 5.791 145 HG3 MET 19 HG3 MET 19 2.543 -2.903 6.063 146 HE1 MET 19 HE1 MET 19 2.846 -5.077 8.239 147 HE2 MET 19 HE2 MET 19 2.649 -6.419 7.113 148 HE3 MET 19 HE3 MET 19 1.524 -6.233 8.456 149 H SER 20 H SER 20 2.963 -5.256 1.833 150 HA SER 20 HA SER 20 5.209 -6.770 2.779 151 HB2 SER 20 HB2 SER 20 3.215 -7.500 1.367 152 HB3 SER 20 HB3 SER 20 4.013 -6.742 -0.009 153 HG SER 20 HG SER 20 4.673 -8.840 -0.012 154 H ARG 21 H ARG 21 4.883 -4.350 0.171 155 HA ARG 21 HA ARG 21 7.456 -4.613 -1.016 156 HB2 ARG 21 HB2 ARG 21 5.321 -2.550 -0.771 157 HB3 ARG 21 HB3 ARG 21 6.907 -1.972 -1.282 158 HG2 ARG 21 HG2 ARG 21 6.933 -3.723 -3.061 159 HG3 ARG 21 HG3 ARG 21 5.297 -4.185 -2.590 160 HD2 ARG 21 HD2 ARG 21 4.400 -2.062 -3.249 161 HD3 ARG 21 HD3 ARG 21 6.019 -1.353 -3.407 162 HE ARG 21 HE ARG 21 4.808 -3.319 -5.278 163 HH11 ARG 21 HH11 ARG 21 5.865 -0.689 -6.212 164 HH12 ARG 21 HH12 ARG 21 7.419 -1.114 -6.846 165 HH21 ARG 21 HH21 ARG 21 7.518 -4.199 -5.246 166 HH22 ARG 21 HH22 ARG 21 8.358 -3.110 -6.298 167 H PHE 22 H PHE 22 6.393 -2.616 1.761 168 HA PHE 22 HA PHE 22 8.889 -1.301 2.258 169 HB2 PHE 22 HB2 PHE 22 6.411 -2.005 3.810 170 HB3 PHE 22 HB3 PHE 22 7.797 -1.350 4.681 171 HD1 PHE 22 HD1 PHE 22 8.949 0.747 3.434 172 HD2 PHE 22 HD2 PHE 22 4.855 -0.480 2.994 173 HE1 PHE 22 HE1 PHE 22 8.345 3.031 2.680 174 HE2 PHE 22 HE2 PHE 22 4.252 1.803 2.240 175 HZ PHE 22 HZ PHE 22 5.996 3.559 2.084 176 H GLY 23 H GLY 23 7.525 -4.340 3.581 177 HA2 GLY 23 HA2 GLY 23 9.802 -4.971 5.229 178 HA3 GLY 23 HA3 GLY 23 8.563 -6.118 4.715 179 H PHE 24 H PHE 24 8.899 -5.797 1.883 180 HA PHE 24 HA PHE 24 10.991 -7.668 1.335 181 HB2 PHE 24 HB2 PHE 24 8.862 -6.428 0.005 182 HB3 PHE 24 HB3 PHE 24 10.288 -5.912 -0.893 183 HD1 PHE 24 HD1 PHE 24 12.049 -7.804 -1.420 184 HD2 PHE 24 HD2 PHE 24 7.922 -8.520 -0.459 185 HE1 PHE 24 HE2 PHE 24 12.186 -10.037 -2.488 186 HE2 PHE 24 HE1 PHE 24 8.062 -10.754 -1.529 187 HZ PHE 24 HZ PHE 24 10.194 -11.512 -2.543 188 H PHE 25 H PHE 25 10.869 -4.112 0.890 189 HA PHE 25 HA PHE 25 13.466 -3.755 -0.225 190 HB2 PHE 25 HB2 PHE 25 11.373 -2.174 0.258 191 HB3 PHE 25 HB3 PHE 25 12.300 -1.778 1.705 192 HD1 PHE 25 HD1 PHE 25 14.635 -0.882 1.487 193 HD2 PHE 25 HD2 PHE 25 12.052 -1.401 -1.907 194 HE1 PHE 25 HE1 PHE 25 16.091 0.614 0.150 195 HE2 PHE 25 HE2 PHE 25 13.509 0.095 -3.243 196 HZ PHE 25 HZ PHE 25 15.529 1.102 -2.216 197 H ALA 26 H ALA 26 12.398 -3.866 3.183 198 HA ALA 26 HA ALA 26 14.958 -3.269 4.365 199 HB1 ALA 26 HB1 ALA 26 13.850 -4.137 6.394 200 HB2 ALA 26 HB2 ALA 26 12.589 -4.865 5.399 201 HB3 ALA 26 HB3 ALA 26 12.744 -3.111 5.482 202 H HIS 27 H HIS 27 13.470 -6.252 3.186 203 HA HIS 27 HA HIS 27 15.480 -8.020 4.383 204 HB2 HIS 27 HB2 HIS 27 13.032 -8.179 2.708 205 HB3 HIS 27 HB3 HIS 27 14.195 -9.485 2.482 206 HD1 HIS 27 HD1 HIS 27 12.835 -7.635 5.547 207 HD2 HIS 27 HD2 HIS 27 13.612 -11.516 4.239 208 HE1 HIS 27 HE1 HIS 27 12.185 -9.176 7.449 209 H LEU 28 H LEU 28 15.504 -5.941 1.680 210 HA LEU 28 HA LEU 28 17.255 -7.659 0.016 211 HB2 LEU 28 HB2 LEU 28 15.865 -4.995 -0.219 212 HB3 LEU 28 HB3 LEU 28 17.151 -5.410 -1.351 213 HG LEU 28 HG LEU 28 14.885 -7.328 -0.818 214 HD11 LEU 28 HD11 LEU 28 14.894 -5.326 -3.080 215 HD12 LEU 28 HD12 LEU 28 14.094 -4.981 -1.547 216 HD13 LEU 28 HD13 LEU 28 13.567 -6.349 -2.527 217 HD21 LEU 28 HD21 LEU 28 16.781 -8.248 -2.007 218 HD22 LEU 28 HD22 LEU 28 16.842 -6.856 -3.088 219 HD23 LEU 28 HD23 LEU 28 15.493 -7.987 -3.184 220 H LEU 29 H LEU 29 18.438 -7.150 2.495 221 HA LEU 29 HA LEU 29 20.319 -4.874 2.134 222 HB2 LEU 29 HB2 LEU 29 20.833 -5.296 4.478 223 HB3 LEU 29 HB3 LEU 29 19.082 -5.322 4.279 224 HG LEU 29 HG LEU 29 19.919 -7.971 3.798 225 HD11 LEU 29 HD11 LEU 29 21.349 -8.579 5.575 226 HD12 LEU 29 HD12 LEU 29 21.098 -7.050 6.419 227 HD13 LEU 29 HD13 LEU 29 22.073 -7.097 4.949 228 HD21 LEU 29 HD21 LEU 29 18.851 -8.257 6.154 229 HD22 LEU 29 HD22 LEU 29 17.852 -7.586 4.866 230 HD23 LEU 29 HD23 LEU 29 18.570 -6.518 6.072 231 HA PRO 30 HA PRO 30 23.668 -7.453 0.897 232 HB2 PRO 30 HB2 PRO 30 25.798 -6.244 2.118 233 HB3 PRO 30 HB3 PRO 30 24.953 -5.538 0.727 234 HG2 PRO 30 HG2 PRO 30 24.735 -4.867 3.613 235 HG3 PRO 30 HG3 PRO 30 24.675 -3.805 2.198 236 HD2 PRO 30 HD2 PRO 30 22.468 -4.629 3.603 237 HD3 PRO 30 HD3 PRO 30 22.437 -4.123 1.900 238 H ARG 31 H ARG 31 24.260 -9.461 1.647 239 HA ARG 31 HA ARG 31 24.532 -9.851 4.611 240 HB2 ARG 31 HB2 ARG 31 22.834 -11.019 2.798 241 HB3 ARG 31 HB3 ARG 31 24.159 -12.181 2.824 242 HG2 ARG 31 HG2 ARG 31 22.756 -11.128 5.299 243 HG3 ARG 31 HG3 ARG 31 22.397 -12.674 4.532 244 HD2 ARG 31 HD2 ARG 31 25.196 -11.953 5.456 245 HD3 ARG 31 HD3 ARG 31 24.030 -12.782 6.504 246 HE ARG 31 HE ARG 31 23.967 -14.628 4.877 247 HH11 ARG 31 HH11 ARG 31 26.939 -13.757 5.554 248 HH12 ARG 31 HH12 ARG 31 27.663 -14.015 4.003 249 HH21 ARG 31 HH21 ARG 31 24.623 -14.287 2.339 250 HH22 ARG 31 HH22 ARG 31 26.347 -14.314 2.176
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