NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
505490 | 2yrm | 10306 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 2.683 -16.083 -10.619 2 HA2 GLY 1 1HA GLY 1 0.520 -16.911 -10.368 3 HA3 GLY 1 2HA GLY 1 0.337 -15.924 -8.925 4 H SER 2 H SER 2 -1.182 -16.387 -11.601 5 HA SER 2 HA SER 2 -1.521 -13.542 -12.282 6 HB2 SER 2 1HB SER 2 -2.575 -14.430 -14.401 7 HB3 SER 2 2HB SER 2 -0.854 -14.772 -14.228 8 HG SER 2 HG SER 2 -2.694 -16.650 -13.272 9 H SER 3 H SER 3 -3.723 -12.850 -12.819 10 HA SER 3 HA SER 3 -5.536 -13.073 -10.846 11 HB2 SER 3 1HB SER 3 -5.861 -12.571 -13.776 12 HB3 SER 3 2HB SER 3 -7.308 -12.755 -12.785 13 HG SER 3 HG SER 3 -5.281 -11.048 -11.887 14 H GLY 4 H GLY 4 -7.241 -14.372 -10.245 15 HA2 GLY 4 1HA GLY 4 -8.776 -16.160 -10.535 16 HA3 GLY 4 2HA GLY 4 -7.758 -16.790 -11.821 17 H SER 5 H SER 5 -8.419 -16.784 -8.440 18 HA SER 5 HA SER 5 -6.754 -19.128 -8.094 19 HB2 SER 5 1HB SER 5 -6.207 -16.531 -6.668 20 HB3 SER 5 2HB SER 5 -5.738 -18.082 -5.973 21 HG SER 5 HG SER 5 -4.185 -18.254 -7.395 22 H SER 6 H SER 6 -7.597 -20.515 -6.638 23 HA SER 6 HA SER 6 -10.209 -20.099 -5.665 24 HB2 SER 6 1HB SER 6 -9.174 -22.330 -6.190 25 HB3 SER 6 2HB SER 6 -8.240 -22.184 -4.701 26 HG SER 6 HG SER 6 -10.178 -22.147 -3.543 27 H GLY 7 H GLY 7 -10.962 -19.272 -3.813 28 HA2 GLY 7 1HA GLY 7 -11.014 -18.442 -1.666 29 HA3 GLY 7 2HA GLY 7 -9.504 -19.290 -1.365 30 H ASN 8 H ASN 8 -10.821 -16.355 -1.232 31 HA ASN 8 HA ASN 8 -8.909 -14.715 -2.542 32 HB2 ASN 8 1HB ASN 8 -11.024 -14.253 -0.468 33 HB3 ASN 8 2HB ASN 8 -9.853 -12.984 -0.814 34 HD21 ASN 8 1HD2 ASN 8 -12.781 -13.216 -1.283 35 HD22 ASN 8 2HD2 ASN 8 -12.992 -12.869 -2.963 36 H GLY 9 H GLY 9 -7.437 -13.205 -1.407 37 HA2 GLY 9 1HA GLY 9 -6.358 -12.863 0.866 38 HA3 GLY 9 2HA GLY 9 -6.098 -14.601 0.823 39 H ALA 10 H ALA 10 -5.528 -11.765 -1.266 40 HA ALA 10 HA ALA 10 -2.802 -12.786 -1.719 41 HB1 ALA 10 3HB ALA 10 -3.054 -12.804 -3.931 42 HB2 ALA 10 1HB ALA 10 -4.787 -12.645 -3.643 43 HB3 ALA 10 2HB ALA 10 -3.805 -11.208 -3.932 44 H PHE 11 H PHE 11 -3.543 -10.925 0.273 45 HA PHE 11 HA PHE 11 -2.194 -8.513 -0.741 46 HB2 PHE 11 1HB PHE 11 -4.328 -8.484 1.395 47 HB3 PHE 11 2HB PHE 11 -3.595 -7.101 0.589 48 HD1 PHE 11 2HD PHE 11 -4.119 -6.649 -1.796 49 HD2 PHE 11 1HD PHE 11 -6.165 -9.629 0.452 50 HE1 PHE 11 2HE PHE 11 -5.921 -6.670 -3.470 51 HE2 PHE 11 1HE PHE 11 -7.970 -9.655 -1.220 52 HZ PHE 11 HZ PHE 11 -7.850 -8.173 -3.183 53 H PHE 12 H PHE 12 -0.239 -8.468 0.142 54 HA PHE 12 HA PHE 12 0.013 -9.116 3.005 55 HB2 PHE 12 1HB PHE 12 2.489 -9.666 2.197 56 HB3 PHE 12 2HB PHE 12 1.210 -10.875 2.154 57 HD1 PHE 12 1HD PHE 12 3.221 -8.556 0.137 58 HD2 PHE 12 2HD PHE 12 0.358 -11.705 0.088 59 HE1 PHE 12 1HE PHE 12 3.588 -8.847 -2.279 60 HE2 PHE 12 2HE PHE 12 0.721 -12.001 -2.328 61 HZ PHE 12 HZ PHE 12 2.338 -10.572 -3.514 62 H CYS 13 H CYS 13 0.930 -7.604 4.248 63 HA CYS 13 HA CYS 13 1.339 -5.003 3.408 64 HB2 CYS 13 1HB CYS 13 1.060 -5.825 5.783 65 HB3 CYS 13 2HB CYS 13 2.763 -6.272 5.750 66 H ASN 14 H ASN 14 2.982 -3.880 2.534 67 HA ASN 14 HA ASN 14 5.229 -5.332 1.483 68 HB2 ASN 14 1HB ASN 14 5.613 -3.494 0.139 69 HB3 ASN 14 2HB ASN 14 3.891 -3.307 0.457 70 HD21 ASN 14 1HD2 ASN 14 3.183 -1.529 1.476 71 HD22 ASN 14 2HD2 ASN 14 4.203 -0.269 2.073 72 H GLU 15 H GLU 15 4.749 -2.774 3.890 73 HA GLU 15 HA GLU 15 7.469 -2.374 4.500 74 HB2 GLU 15 1HB GLU 15 5.059 -1.970 6.281 75 HB3 GLU 15 2HB GLU 15 6.659 -1.291 6.547 76 HG2 GLU 15 1HG GLU 15 6.397 -0.139 4.313 77 HG3 GLU 15 2HG GLU 15 4.704 -0.626 4.370 78 H CYS 16 H CYS 16 4.988 -4.332 6.141 79 HA CYS 16 HA CYS 16 7.168 -5.860 7.406 80 HB2 CYS 16 1HB CYS 16 5.926 -6.095 9.369 81 HB3 CYS 16 2HB CYS 16 5.585 -4.436 8.886 82 H ASP 17 H ASP 17 6.109 -8.069 8.247 83 HA ASP 17 HA ASP 17 5.022 -9.330 5.833 84 HB2 ASP 17 1HB ASP 17 5.720 -11.468 7.011 85 HB3 ASP 17 2HB ASP 17 7.029 -10.392 6.530 86 H CYS 18 H CYS 18 2.898 -9.607 5.789 87 HA CYS 18 HA CYS 18 1.533 -10.898 7.959 88 HB2 CYS 18 1HB CYS 18 1.214 -7.977 7.473 89 HB3 CYS 18 2HB CYS 18 -0.233 -8.904 7.848 90 HG CYS 18 HG CYS 18 2.518 -8.466 9.823 91 H ARG 19 H ARG 19 -0.998 -10.763 7.387 92 HA ARG 19 HA ARG 19 -1.420 -10.866 4.507 93 HB2 ARG 19 1HB ARG 19 -1.656 -13.237 6.343 94 HB3 ARG 19 2HB ARG 19 -2.582 -13.138 4.852 95 HG2 ARG 19 1HG ARG 19 0.384 -12.770 4.817 96 HG3 ARG 19 2HG ARG 19 -0.325 -14.386 4.858 97 HD2 ARG 19 1HD ARG 19 -1.345 -12.432 2.858 98 HD3 ARG 19 2HD ARG 19 0.228 -13.176 2.578 99 HE ARG 19 HE ARG 19 -2.337 -14.429 2.354 100 HH11 ARG 19 1HH1 ARG 19 1.037 -14.973 3.016 101 HH12 ARG 19 2HH1 ARG 19 0.999 -16.635 2.528 102 HH21 ARG 19 1HH2 ARG 19 -2.400 -16.616 1.708 103 HH22 ARG 19 2HH2 ARG 19 -0.957 -17.568 1.783 104 H PHE 20 H PHE 20 -3.588 -10.683 3.888 105 HA PHE 20 HA PHE 20 -5.595 -10.424 5.992 106 HB2 PHE 20 1HB PHE 20 -4.974 -8.226 4.007 107 HB3 PHE 20 2HB PHE 20 -6.356 -8.242 5.097 108 HD1 PHE 20 1HD PHE 20 -2.671 -8.093 4.948 109 HD2 PHE 20 2HD PHE 20 -6.148 -7.562 7.344 110 HE1 PHE 20 1HE PHE 20 -1.305 -7.009 6.683 111 HE2 PHE 20 2HE PHE 20 -4.788 -6.477 9.083 112 HZ PHE 20 HZ PHE 20 -2.364 -6.198 8.754 113 H SER 21 H SER 21 -7.592 -11.058 5.373 114 HA SER 21 HA SER 21 -7.881 -12.457 2.919 115 HB2 SER 21 1HB SER 21 -9.128 -13.312 4.734 116 HB3 SER 21 2HB SER 21 -9.798 -11.728 5.128 117 HG SER 21 HG SER 21 -10.732 -13.605 3.424 118 H GLU 22 H GLU 22 -9.125 -9.366 4.119 119 HA GLU 22 HA GLU 22 -10.166 -8.789 1.431 120 HB2 GLU 22 1HB GLU 22 -10.767 -7.401 4.049 121 HB3 GLU 22 2HB GLU 22 -11.506 -7.036 2.496 122 HG2 GLU 22 1HG GLU 22 -12.717 -9.024 2.466 123 HG3 GLU 22 2HG GLU 22 -11.698 -9.772 3.694 124 H GLU 23 H GLU 23 -9.931 -6.532 0.672 125 HA GLU 23 HA GLU 23 -7.190 -5.713 0.886 126 HB2 GLU 23 1HB GLU 23 -8.446 -5.612 -1.244 127 HB3 GLU 23 2HB GLU 23 -9.489 -4.378 -0.552 128 HG2 GLU 23 1HG GLU 23 -7.838 -3.351 -1.962 129 HG3 GLU 23 2HG GLU 23 -7.542 -2.907 -0.282 130 H ALA 24 H ALA 24 -10.311 -4.412 1.914 131 HA ALA 24 HA ALA 24 -9.425 -1.930 2.858 132 HB1 ALA 24 3HB ALA 24 -11.681 -1.915 2.824 133 HB2 ALA 24 1HB ALA 24 -11.808 -3.621 3.254 134 HB3 ALA 24 2HB ALA 24 -11.493 -2.417 4.504 135 H SER 25 H SER 25 -9.516 -5.101 4.395 136 HA SER 25 HA SER 25 -8.943 -4.310 7.019 137 HB2 SER 25 1HB SER 25 -9.654 -6.619 6.195 138 HB3 SER 25 2HB SER 25 -7.963 -6.877 5.766 139 HG SER 25 HG SER 25 -9.170 -6.921 8.216 140 H LEU 26 H LEU 26 -6.760 -5.263 4.382 141 HA LEU 26 HA LEU 26 -4.361 -5.011 5.817 142 HB2 LEU 26 1HB LEU 26 -4.755 -6.090 3.548 143 HB3 LEU 26 2HB LEU 26 -4.666 -4.463 2.877 144 HG LEU 26 HG LEU 26 -2.407 -5.461 4.551 145 HD11 LEU 26 1HD1 LEU 26 -3.220 -7.109 2.632 146 HD12 LEU 26 2HD1 LEU 26 -1.514 -6.823 2.971 147 HD13 LEU 26 3HD1 LEU 26 -2.300 -5.981 1.636 148 HD21 LEU 26 3HD2 LEU 26 -2.803 -3.505 2.313 149 HD22 LEU 26 1HD2 LEU 26 -1.199 -4.107 2.733 150 HD23 LEU 26 2HD2 LEU 26 -2.152 -3.229 3.929 151 H LYS 27 H LYS 27 -5.685 -2.746 3.396 152 HA LYS 27 HA LYS 27 -4.041 -0.652 3.534 153 HB2 LYS 27 1HB LYS 27 -7.040 -0.711 3.488 154 HB3 LYS 27 2HB LYS 27 -6.189 0.828 3.511 155 HG2 LYS 27 1HG LYS 27 -4.978 0.156 1.471 156 HG3 LYS 27 2HG LYS 27 -5.923 -1.335 1.433 157 HD2 LYS 27 1HD LYS 27 -7.852 -0.257 0.822 158 HD3 LYS 27 2HD LYS 27 -7.375 1.260 1.589 159 HE2 LYS 27 1HE LYS 27 -5.829 1.734 -0.185 160 HE3 LYS 27 2HE LYS 27 -6.091 0.145 -0.900 161 HZ1 LYS 27 3HZ LYS 27 -8.079 2.342 -0.701 162 HZ2 LYS 27 1HZ LYS 27 -8.422 0.789 -1.279 163 HZ3 LYS 27 2HZ LYS 27 -7.332 1.779 -2.111 164 H ARG 28 H ARG 28 -6.636 -1.176 5.920 165 HA ARG 28 HA ARG 28 -6.124 0.991 7.567 166 HB2 ARG 28 1HB ARG 28 -8.100 -0.355 7.874 167 HB3 ARG 28 2HB ARG 28 -7.131 -1.769 8.268 168 HG2 ARG 28 1HG ARG 28 -7.994 -0.948 10.304 169 HG3 ARG 28 2HG ARG 28 -6.287 -0.500 10.268 170 HD2 ARG 28 1HD ARG 28 -7.311 1.448 10.995 171 HD3 ARG 28 2HD ARG 28 -7.137 1.724 9.262 172 HE ARG 28 HE ARG 28 -9.603 0.647 9.456 173 HH11 ARG 28 1HH1 ARG 28 -8.027 3.285 11.092 174 HH12 ARG 28 2HH1 ARG 28 -9.491 4.178 11.339 175 HH21 ARG 28 1HH2 ARG 28 -11.537 1.813 9.776 176 HH22 ARG 28 2HH2 ARG 28 -11.487 3.339 10.591 177 H HIS 29 H HIS 29 -4.933 -2.343 8.024 178 HA HIS 29 HA HIS 29 -3.320 -1.972 10.203 179 HB2 HIS 29 1HB HIS 29 -3.453 -4.182 9.524 180 HB3 HIS 29 2HB HIS 29 -3.147 -3.792 7.835 181 HD1 HIS 29 1HD HIS 29 -1.506 -4.978 10.865 182 HD2 HIS 29 2HD HIS 29 -0.343 -3.173 7.308 183 HE1 HIS 29 1HE HIS 29 0.974 -5.358 10.698 184 H THR 30 H THR 30 -2.397 -1.510 6.799 185 HA THR 30 HA THR 30 0.252 -0.813 7.128 186 HB THR 30 HB THR 30 -1.671 0.408 5.137 187 HG1 THR 30 1HG THR 30 0.070 -1.760 4.627 188 HG21 THR 30 3HG2 THR 30 0.318 0.763 3.761 189 HG22 THR 30 1HG2 THR 30 1.334 0.107 5.044 190 HG23 THR 30 2HG2 THR 30 0.458 1.617 5.297 191 H LEU 31 H LEU 31 -2.610 1.267 7.357 192 HA LEU 31 HA LEU 31 -1.115 3.652 7.838 193 HB2 LEU 31 1HB LEU 31 -3.978 2.864 7.901 194 HB3 LEU 31 2HB LEU 31 -3.508 4.325 8.765 195 HG LEU 31 HG LEU 31 -2.750 3.963 5.892 196 HD11 LEU 31 1HD1 LEU 31 -4.790 4.509 5.078 197 HD12 LEU 31 2HD1 LEU 31 -5.241 5.428 6.513 198 HD13 LEU 31 3HD1 LEU 31 -5.324 3.667 6.533 199 HD21 LEU 31 3HD2 LEU 31 -3.103 6.492 6.030 200 HD22 LEU 31 1HD2 LEU 31 -1.701 5.816 6.861 201 HD23 LEU 31 2HD2 LEU 31 -3.139 6.264 7.779 202 H GLN 32 H GLN 32 -3.330 1.848 9.981 203 HA GLN 32 HA GLN 32 -2.695 3.103 12.349 204 HB2 GLN 32 1HB GLN 32 -4.543 1.506 12.107 205 HB3 GLN 32 2HB GLN 32 -3.391 0.187 11.956 206 HG2 GLN 32 1HG GLN 32 -3.938 -0.015 14.152 207 HG3 GLN 32 2HG GLN 32 -2.562 1.079 14.283 208 HE21 GLN 32 1HE2 GLN 32 -4.289 0.983 16.330 209 HE22 GLN 32 2HE2 GLN 32 -5.251 2.416 16.392 210 H THR 33 H THR 33 -1.317 0.006 11.231 211 HA THR 33 HA THR 33 0.647 -0.158 13.235 212 HB THR 33 HB THR 33 0.784 -1.370 10.468 213 HG1 THR 33 1HG THR 33 -1.160 -1.910 11.613 214 HG21 THR 33 3HG2 THR 33 2.895 -1.598 11.529 215 HG22 THR 33 1HG2 THR 33 2.074 -3.145 11.732 216 HG23 THR 33 2HG2 THR 33 2.153 -2.005 13.076 217 H HIS 34 H HIS 34 0.933 0.866 9.831 218 HA HIS 34 HA HIS 34 3.444 2.229 10.551 219 HB2 HIS 34 1HB HIS 34 2.662 1.459 7.747 220 HB3 HIS 34 2HB HIS 34 4.261 1.860 8.366 221 HD1 HIS 34 1HD HIS 34 5.633 -0.021 9.378 222 HD2 HIS 34 2HD HIS 34 1.764 -1.167 8.387 223 HE1 HIS 34 1HE HIS 34 5.597 -2.526 9.599 224 H SER 35 H SER 35 2.131 4.035 11.281 225 HA SER 35 HA SER 35 0.336 5.450 9.679 226 HB2 SER 35 1HB SER 35 0.832 5.742 12.181 227 HB3 SER 35 2HB SER 35 2.169 6.775 11.674 228 HG SER 35 HG SER 35 -0.213 7.581 12.052 229 H ASP 36 H ASP 36 0.535 7.026 8.165 230 HA ASP 36 HA ASP 36 2.606 7.136 6.417 231 HB2 ASP 36 1HB ASP 36 0.376 8.232 6.124 232 HB3 ASP 36 2HB ASP 36 0.932 9.542 7.163 233 H LYS 37 H LYS 37 2.255 9.063 9.358 234 HA LYS 37 HA LYS 37 5.019 10.016 8.987 235 HB2 LYS 37 1HB LYS 37 2.662 11.276 10.382 236 HB3 LYS 37 2HB LYS 37 4.312 11.822 10.648 237 HG2 LYS 37 1HG LYS 37 4.346 11.987 8.031 238 HG3 LYS 37 2HG LYS 37 2.595 12.077 8.233 239 HD2 LYS 37 1HD LYS 37 4.331 13.811 9.926 240 HD3 LYS 37 2HD LYS 37 4.074 14.253 8.237 241 HE2 LYS 37 1HE LYS 37 2.402 15.383 9.454 242 HE3 LYS 37 2HE LYS 37 1.594 14.011 8.696 243 HZ1 LYS 37 3HZ LYS 37 1.056 14.435 11.105 244 HZ2 LYS 37 1HZ LYS 37 2.622 13.910 11.471 245 HZ3 LYS 37 2HZ LYS 37 1.531 12.856 10.725 246 H SER 38 H SER 38 5.807 8.040 9.923 247 HA SER 38 HA SER 38 5.581 8.030 12.859 248 HB2 SER 38 1HB SER 38 5.686 5.602 12.867 249 HB3 SER 38 2HB SER 38 4.339 6.121 11.854 250 HG SER 38 HG SER 38 6.913 5.345 10.935 251 H GLY 39 H GLY 39 7.553 6.962 10.095 252 HA2 GLY 39 1HA GLY 39 9.887 6.279 11.369 253 HA3 GLY 39 2HA GLY 39 9.831 7.029 9.781 254 HA PRO 40 HA PRO 40 11.729 10.674 11.291 255 HB2 PRO 40 1HB PRO 40 10.344 12.666 10.073 256 HB3 PRO 40 2HB PRO 40 11.455 11.599 9.206 257 HG2 PRO 40 1HG PRO 40 8.470 11.473 9.398 258 HG3 PRO 40 2HG PRO 40 9.511 11.242 7.981 259 HD2 PRO 40 1HD PRO 40 8.443 9.169 9.358 260 HD3 PRO 40 2HD PRO 40 10.023 9.069 8.555 261 H SER 41 H SER 41 8.466 10.055 12.024 262 HA SER 41 HA SER 41 8.043 12.413 13.638 263 HB2 SER 41 1HB SER 41 6.220 11.127 12.401 264 HB3 SER 41 2HB SER 41 6.370 9.899 13.657 265 HG SER 41 HG SER 41 4.758 11.712 13.907 266 H SER 42 H SER 42 9.445 12.504 15.321 267 HA SER 42 HA SER 42 10.237 10.252 16.859 268 HB2 SER 42 1HB SER 42 10.539 13.222 17.148 269 HB3 SER 42 2HB SER 42 10.953 12.168 18.500 270 HG SER 42 HG SER 42 12.372 12.698 16.297 271 H GLY 43 H GLY 43 8.247 9.259 17.445 272 HA2 GLY 43 1HA GLY 43 7.371 9.604 20.001 273 HA3 GLY 43 2HA GLY 43 6.335 10.673 19.066 Start of MODEL 2 1 H1 GLY 1 H GLY 1 9.476 -27.528 9.891 2 HA2 GLY 1 1HA GLY 1 9.597 -27.522 6.995 3 HA3 GLY 1 2HA GLY 1 8.868 -28.759 8.009 4 H SER 2 H SER 2 8.383 -25.433 6.864 5 HA SER 2 HA SER 2 5.779 -25.019 7.625 6 HB2 SER 2 1HB SER 2 7.046 -24.190 5.002 7 HB3 SER 2 2HB SER 2 5.594 -23.482 5.708 8 HG SER 2 HG SER 2 7.150 -23.179 7.615 9 H SER 3 H SER 3 3.995 -26.157 7.313 10 HA SER 3 HA SER 3 3.840 -28.203 5.308 11 HB2 SER 3 1HB SER 3 2.781 -28.170 7.687 12 HB3 SER 3 2HB SER 3 1.484 -27.256 6.917 13 HG SER 3 HG SER 3 2.276 -29.916 6.519 14 H GLY 4 H GLY 4 1.845 -28.373 3.903 15 HA2 GLY 4 1HA GLY 4 1.018 -25.733 2.887 16 HA3 GLY 4 2HA GLY 4 1.651 -26.944 1.783 17 H SER 5 H SER 5 -1.116 -25.653 3.111 18 HA SER 5 HA SER 5 -2.686 -27.976 2.218 19 HB2 SER 5 1HB SER 5 -4.246 -27.692 4.031 20 HB3 SER 5 2HB SER 5 -2.628 -27.795 4.724 21 HG SER 5 HG SER 5 -2.636 -25.600 5.046 22 H SER 6 H SER 6 -2.701 -24.496 2.897 23 HA SER 6 HA SER 6 -3.909 -23.828 0.440 24 HB2 SER 6 1HB SER 6 -5.953 -24.726 1.322 25 HB3 SER 6 2HB SER 6 -5.733 -23.877 2.852 26 HG SER 6 HG SER 6 -5.816 -22.354 0.514 27 H GLY 7 H GLY 7 -3.802 -21.644 0.042 28 HA2 GLY 7 1HA GLY 7 -3.346 -19.800 2.250 29 HA3 GLY 7 2HA GLY 7 -1.999 -20.022 1.142 30 H ASN 8 H ASN 8 -5.436 -19.142 1.240 31 HA ASN 8 HA ASN 8 -5.268 -17.842 -1.339 32 HB2 ASN 8 1HB ASN 8 -7.570 -17.705 0.609 33 HB3 ASN 8 2HB ASN 8 -7.613 -17.463 -1.135 34 HD21 ASN 8 1HD2 ASN 8 -7.871 -19.175 -2.450 35 HD22 ASN 8 2HD2 ASN 8 -8.036 -20.807 -1.906 36 H GLY 9 H GLY 9 -6.458 -15.570 -1.362 37 HA2 GLY 9 1HA GLY 9 -6.550 -13.370 -0.609 38 HA3 GLY 9 2HA GLY 9 -5.762 -13.874 0.878 39 H ALA 10 H ALA 10 -5.375 -12.332 -2.108 40 HA ALA 10 HA ALA 10 -2.448 -12.506 -1.971 41 HB1 ALA 10 3HB ALA 10 -4.021 -11.243 -4.196 42 HB2 ALA 10 1HB ALA 10 -2.366 -11.853 -4.224 43 HB3 ALA 10 2HB ALA 10 -3.720 -12.980 -4.127 44 H PHE 11 H PHE 11 -3.696 -10.995 0.014 45 HA PHE 11 HA PHE 11 -2.851 -8.278 -0.741 46 HB2 PHE 11 1HB PHE 11 -5.119 -8.938 1.148 47 HB3 PHE 11 2HB PHE 11 -4.607 -7.332 0.637 48 HD1 PHE 11 2HD PHE 11 -4.388 -7.359 -2.156 49 HD2 PHE 11 1HD PHE 11 -7.148 -9.509 0.268 50 HE1 PHE 11 2HE PHE 11 -5.962 -7.459 -4.044 51 HE2 PHE 11 1HE PHE 11 -8.727 -9.614 -1.617 52 HZ PHE 11 HZ PHE 11 -8.135 -8.587 -3.776 53 H PHE 12 H PHE 12 -0.793 -8.681 0.142 54 HA PHE 12 HA PHE 12 -0.754 -8.881 3.082 55 HB2 PHE 12 1HB PHE 12 1.556 -9.840 2.800 56 HB3 PHE 12 2HB PHE 12 0.258 -10.865 2.198 57 HD1 PHE 12 2HD PHE 12 -0.032 -11.245 -0.175 58 HD2 PHE 12 1HD PHE 12 3.122 -8.793 1.294 59 HE1 PHE 12 2HE PHE 12 1.078 -11.366 -2.367 60 HE2 PHE 12 1HE PHE 12 4.237 -8.909 -0.897 61 HZ PHE 12 HZ PHE 12 3.216 -10.198 -2.730 62 H CYS 13 H CYS 13 0.801 -7.629 4.201 63 HA CYS 13 HA CYS 13 1.193 -5.034 3.120 64 HB2 CYS 13 1HB CYS 13 0.872 -5.505 5.542 65 HB3 CYS 13 2HB CYS 13 2.465 -6.253 5.579 66 H ASN 14 H ASN 14 3.143 -3.955 2.637 67 HA ASN 14 HA ASN 14 5.200 -5.731 1.558 68 HB2 ASN 14 1HB ASN 14 6.006 -3.496 0.525 69 HB3 ASN 14 2HB ASN 14 4.528 -4.223 -0.100 70 HD21 ASN 14 1HD2 ASN 14 2.506 -3.357 0.594 71 HD22 ASN 14 2HD2 ASN 14 2.394 -1.709 1.101 72 H GLU 15 H GLU 15 4.887 -2.858 3.620 73 HA GLU 15 HA GLU 15 7.601 -2.566 4.250 74 HB2 GLU 15 1HB GLU 15 5.216 -1.880 5.977 75 HB3 GLU 15 2HB GLU 15 6.843 -1.240 6.160 76 HG2 GLU 15 1HG GLU 15 6.629 -0.268 3.869 77 HG3 GLU 15 2HG GLU 15 4.937 -0.759 3.886 78 H CYS 16 H CYS 16 5.026 -4.354 5.915 79 HA CYS 16 HA CYS 16 7.118 -5.794 7.410 80 HB2 CYS 16 1HB CYS 16 5.806 -5.834 9.341 81 HB3 CYS 16 2HB CYS 16 5.533 -4.212 8.714 82 H ASP 17 H ASP 17 6.145 -7.940 8.309 83 HA ASP 17 HA ASP 17 5.001 -9.339 6.006 84 HB2 ASP 17 1HB ASP 17 6.339 -10.414 8.499 85 HB3 ASP 17 2HB ASP 17 5.752 -11.396 7.160 86 H CYS 18 H CYS 18 2.831 -9.211 6.062 87 HA CYS 18 HA CYS 18 1.446 -10.571 8.194 88 HB2 CYS 18 1HB CYS 18 1.281 -7.610 7.837 89 HB3 CYS 18 2HB CYS 18 -0.177 -8.484 8.290 90 HG CYS 18 HG CYS 18 1.646 -7.218 10.379 91 H ARG 19 H ARG 19 -0.196 -11.693 7.365 92 HA ARG 19 HA ARG 19 -1.014 -11.113 4.616 93 HB2 ARG 19 1HB ARG 19 -0.221 -13.414 5.318 94 HB3 ARG 19 2HB ARG 19 -1.700 -13.548 6.260 95 HG2 ARG 19 1HG ARG 19 -3.032 -13.728 4.406 96 HG3 ARG 19 2HG ARG 19 -1.897 -12.854 3.374 97 HD2 ARG 19 1HD ARG 19 -1.861 -15.140 2.704 98 HD3 ARG 19 2HD ARG 19 -0.354 -14.815 3.559 99 HE ARG 19 HE ARG 19 -0.966 -16.368 5.111 100 HH11 ARG 19 1HH1 ARG 19 -3.813 -15.323 3.402 101 HH12 ARG 19 2HH1 ARG 19 -4.856 -16.473 4.171 102 HH21 ARG 19 1HH2 ARG 19 -2.329 -17.886 6.131 103 HH22 ARG 19 2HH2 ARG 19 -4.011 -17.930 5.724 104 H PHE 20 H PHE 20 -3.215 -11.030 4.007 105 HA PHE 20 HA PHE 20 -5.187 -10.778 6.148 106 HB2 PHE 20 1HB PHE 20 -4.878 -8.638 4.037 107 HB3 PHE 20 2HB PHE 20 -5.968 -8.626 5.419 108 HD1 PHE 20 2HD PHE 20 -4.892 -8.644 7.753 109 HD2 PHE 20 1HD PHE 20 -2.789 -7.651 4.188 110 HE1 PHE 20 2HE PHE 20 -3.188 -7.474 9.087 111 HE2 PHE 20 1HE PHE 20 -1.081 -6.481 5.517 112 HZ PHE 20 HZ PHE 20 -1.280 -6.391 7.970 113 H SER 21 H SER 21 -7.433 -10.413 5.153 114 HA SER 21 HA SER 21 -7.655 -12.108 2.753 115 HB2 SER 21 1HB SER 21 -9.687 -11.747 4.969 116 HB3 SER 21 2HB SER 21 -9.824 -12.844 3.594 117 HG SER 21 HG SER 21 -7.971 -13.936 4.400 118 H GLU 22 H GLU 22 -9.069 -9.338 4.452 119 HA GLU 22 HA GLU 22 -10.547 -8.585 2.048 120 HB2 GLU 22 1HB GLU 22 -10.564 -7.531 4.874 121 HB3 GLU 22 2HB GLU 22 -11.442 -6.757 3.563 122 HG2 GLU 22 1HG GLU 22 -12.396 -9.207 3.253 123 HG3 GLU 22 2HG GLU 22 -11.980 -9.311 4.963 124 H GLU 23 H GLU 23 -9.831 -7.112 0.660 125 HA GLU 23 HA GLU 23 -7.324 -6.031 0.619 126 HB2 GLU 23 1HB GLU 23 -8.980 -6.026 -1.262 127 HB3 GLU 23 2HB GLU 23 -9.770 -4.654 -0.497 128 HG2 GLU 23 1HG GLU 23 -6.859 -4.490 -1.091 129 HG3 GLU 23 2HG GLU 23 -8.018 -4.313 -2.408 130 H ALA 24 H ALA 24 -10.247 -4.546 1.966 131 HA ALA 24 HA ALA 24 -9.243 -2.054 2.633 132 HB1 ALA 24 3HB ALA 24 -10.936 -2.497 4.692 133 HB2 ALA 24 1HB ALA 24 -11.450 -2.044 3.067 134 HB3 ALA 24 2HB ALA 24 -11.469 -3.738 3.558 135 H SER 25 H SER 25 -9.231 -5.021 4.598 136 HA SER 25 HA SER 25 -8.104 -4.085 6.915 137 HB2 SER 25 1HB SER 25 -7.703 -6.723 5.500 138 HB3 SER 25 2HB SER 25 -7.063 -6.398 7.111 139 HG SER 25 HG SER 25 -9.128 -6.166 7.877 140 H LEU 26 H LEU 26 -6.413 -5.095 3.965 141 HA LEU 26 HA LEU 26 -3.795 -4.845 4.852 142 HB2 LEU 26 1HB LEU 26 -4.165 -5.844 2.753 143 HB3 LEU 26 2HB LEU 26 -5.055 -4.444 2.156 144 HG LEU 26 HG LEU 26 -2.840 -3.184 2.306 145 HD11 LEU 26 1HD1 LEU 26 -1.994 -5.503 3.537 146 HD12 LEU 26 2HD1 LEU 26 -0.964 -4.216 2.913 147 HD13 LEU 26 3HD1 LEU 26 -1.319 -5.624 1.912 148 HD21 LEU 26 3HD2 LEU 26 -3.809 -3.801 0.188 149 HD22 LEU 26 1HD2 LEU 26 -3.201 -5.449 0.348 150 HD23 LEU 26 2HD2 LEU 26 -2.072 -4.110 0.141 151 H LYS 27 H LYS 27 -5.851 -2.387 3.307 152 HA LYS 27 HA LYS 27 -3.982 -0.298 3.359 153 HB2 LYS 27 1HB LYS 27 -6.998 -0.301 3.351 154 HB3 LYS 27 2HB LYS 27 -6.053 1.180 3.269 155 HG2 LYS 27 1HG LYS 27 -4.925 0.194 1.234 156 HG3 LYS 27 2HG LYS 27 -6.171 -1.056 1.268 157 HD2 LYS 27 1HD LYS 27 -6.876 1.863 1.278 158 HD3 LYS 27 2HD LYS 27 -6.558 0.996 -0.227 159 HE2 LYS 27 1HE LYS 27 -8.379 -0.460 0.110 160 HE3 LYS 27 2HE LYS 27 -8.541 0.006 1.802 161 HZ1 LYS 27 3HZ LYS 27 -9.707 1.190 -0.507 162 HZ2 LYS 27 1HZ LYS 27 -8.838 2.336 0.384 163 HZ3 LYS 27 2HZ LYS 27 -10.068 1.444 1.126 164 H ARG 28 H ARG 28 -6.755 -0.802 5.553 165 HA ARG 28 HA ARG 28 -6.235 1.174 7.380 166 HB2 ARG 28 1HB ARG 28 -7.551 -1.491 7.548 167 HB3 ARG 28 2HB ARG 28 -7.195 -0.662 9.057 168 HG2 ARG 28 1HG ARG 28 -9.363 -0.003 8.568 169 HG3 ARG 28 2HG ARG 28 -8.385 1.350 7.996 170 HD2 ARG 28 1HD ARG 28 -8.470 0.378 5.715 171 HD3 ARG 28 2HD ARG 28 -9.556 -0.870 6.325 172 HE ARG 28 HE ARG 28 -10.685 1.565 7.002 173 HH11 ARG 28 1HH1 ARG 28 -9.817 -0.151 4.100 174 HH12 ARG 28 2HH1 ARG 28 -11.064 0.575 3.142 175 HH21 ARG 28 1HH2 ARG 28 -12.331 2.528 5.751 176 HH22 ARG 28 2HH2 ARG 28 -12.493 2.100 4.082 177 H HIS 29 H HIS 29 -5.121 -2.206 7.638 178 HA HIS 29 HA HIS 29 -3.662 -2.158 9.908 179 HB2 HIS 29 1HB HIS 29 -3.577 -4.213 8.874 180 HB3 HIS 29 2HB HIS 29 -3.239 -3.523 7.290 181 HD1 HIS 29 1HD HIS 29 -1.605 -4.922 10.288 182 HD2 HIS 29 2HD HIS 29 -0.489 -2.857 6.859 183 HE1 HIS 29 1HE HIS 29 0.892 -5.174 10.134 184 H THR 30 H THR 30 -2.299 -1.264 6.733 185 HA THR 30 HA THR 30 0.202 -0.470 7.460 186 HB THR 30 HB THR 30 -1.591 0.935 5.470 187 HG1 THR 30 1HG THR 30 0.271 -1.209 5.214 188 HG21 THR 30 3HG2 THR 30 0.166 2.166 4.755 189 HG22 THR 30 1HG2 THR 30 1.332 0.884 5.081 190 HG23 THR 30 2HG2 THR 30 0.757 1.909 6.396 191 H LEU 31 H LEU 31 -2.646 1.679 7.378 192 HA LEU 31 HA LEU 31 -1.321 3.885 8.548 193 HB2 LEU 31 1HB LEU 31 -4.137 3.141 7.976 194 HB3 LEU 31 2HB LEU 31 -3.854 4.438 9.135 195 HG LEU 31 HG LEU 31 -2.743 4.449 6.335 196 HD11 LEU 31 1HD1 LEU 31 -5.177 5.937 7.283 197 HD12 LEU 31 2HD1 LEU 31 -5.266 4.387 6.448 198 HD13 LEU 31 3HD1 LEU 31 -4.559 5.784 5.637 199 HD21 LEU 31 3HD2 LEU 31 -3.245 6.828 8.075 200 HD22 LEU 31 1HD2 LEU 31 -2.113 6.636 6.736 201 HD23 LEU 31 2HD2 LEU 31 -1.781 5.865 8.287 202 H GLN 32 H GLN 32 -2.726 1.032 9.868 203 HA GLN 32 HA GLN 32 -3.196 2.034 12.499 204 HB2 GLN 32 1HB GLN 32 -4.167 -0.080 11.346 205 HB3 GLN 32 2HB GLN 32 -2.682 -0.858 11.878 206 HG2 GLN 32 1HG GLN 32 -3.317 0.076 14.206 207 HG3 GLN 32 2HG GLN 32 -4.928 0.239 13.509 208 HE21 GLN 32 1HE2 GLN 32 -5.059 -1.320 15.486 209 HE22 GLN 32 2HE2 GLN 32 -5.020 -2.999 15.081 210 H THR 33 H THR 33 -0.790 -0.343 11.362 211 HA THR 33 HA THR 33 0.857 0.100 13.680 212 HB THR 33 HB THR 33 0.731 -2.135 12.709 213 HG1 THR 33 1HG THR 33 3.188 -0.764 12.779 214 HG21 THR 33 3HG2 THR 33 2.138 -0.964 10.308 215 HG22 THR 33 1HG2 THR 33 0.438 -1.429 10.352 216 HG23 THR 33 2HG2 THR 33 1.693 -2.653 10.547 217 H HIS 34 H HIS 34 1.126 0.766 10.202 218 HA HIS 34 HA HIS 34 3.567 2.297 10.655 219 HB2 HIS 34 1HB HIS 34 2.178 1.921 8.008 220 HB3 HIS 34 2HB HIS 34 3.875 2.283 8.309 221 HD1 HIS 34 1HD HIS 34 4.741 0.103 10.160 222 HD2 HIS 34 2HD HIS 34 2.152 -0.576 6.982 223 HE1 HIS 34 1HE HIS 34 4.935 -2.351 9.647 224 H SER 35 H SER 35 2.566 3.994 11.877 225 HA SER 35 HA SER 35 0.596 5.664 10.568 226 HB2 SER 35 1HB SER 35 2.044 5.988 13.207 227 HB3 SER 35 2HB SER 35 0.748 7.036 12.633 228 HG SER 35 HG SER 35 0.262 4.292 12.683 229 H ASP 36 H ASP 36 1.031 8.121 10.702 230 HA ASP 36 HA ASP 36 3.192 8.699 8.962 231 HB2 ASP 36 1HB ASP 36 1.069 10.273 10.332 232 HB3 ASP 36 2HB ASP 36 2.478 11.153 9.743 233 H LYS 37 H LYS 37 5.254 8.765 9.536 234 HA LYS 37 HA LYS 37 6.036 9.272 12.272 235 HB2 LYS 37 1HB LYS 37 7.727 8.780 9.813 236 HB3 LYS 37 2HB LYS 37 8.316 8.816 11.470 237 HG2 LYS 37 1HG LYS 37 7.125 6.838 12.025 238 HG3 LYS 37 2HG LYS 37 6.235 6.873 10.501 239 HD2 LYS 37 1HD LYS 37 9.232 6.627 10.630 240 HD3 LYS 37 2HD LYS 37 8.159 5.225 10.652 241 HE2 LYS 37 1HE LYS 37 7.156 6.106 8.516 242 HE3 LYS 37 2HE LYS 37 8.465 7.287 8.477 243 HZ1 LYS 37 3HZ LYS 37 10.041 5.407 8.508 244 HZ2 LYS 37 1HZ LYS 37 9.054 5.414 7.134 245 HZ3 LYS 37 2HZ LYS 37 8.740 4.332 8.396 246 H SER 38 H SER 38 7.528 10.915 12.915 247 HA SER 38 HA SER 38 7.236 13.368 11.326 248 HB2 SER 38 1HB SER 38 7.568 14.600 13.371 249 HB3 SER 38 2HB SER 38 6.366 13.348 13.682 250 HG SER 38 HG SER 38 9.122 13.001 14.230 251 H GLY 39 H GLY 39 9.232 11.286 10.794 252 HA2 GLY 39 1HA GLY 39 11.355 12.211 9.783 253 HA3 GLY 39 2HA GLY 39 11.697 12.795 11.405 254 HA PRO 40 HA PRO 40 13.829 8.735 10.977 255 HB2 PRO 40 1HB PRO 40 16.055 9.518 12.320 256 HB3 PRO 40 2HB PRO 40 15.829 9.799 10.590 257 HG2 PRO 40 1HG PRO 40 15.422 11.680 12.882 258 HG3 PRO 40 2HG PRO 40 16.187 11.980 11.310 259 HD2 PRO 40 1HD PRO 40 13.645 12.733 11.861 260 HD3 PRO 40 2HD PRO 40 14.165 12.244 10.236 261 H SER 41 H SER 41 14.030 7.135 12.510 262 HA SER 41 HA SER 41 12.987 7.796 15.168 263 HB2 SER 41 1HB SER 41 12.664 5.297 15.348 264 HB3 SER 41 2HB SER 41 11.721 6.076 14.077 265 HG SER 41 HG SER 41 13.986 4.424 13.859 266 H SER 42 H SER 42 15.678 6.173 13.562 267 HA SER 42 HA SER 42 16.975 5.240 15.882 268 HB2 SER 42 1HB SER 42 18.953 4.992 14.453 269 HB3 SER 42 2HB SER 42 17.509 4.422 13.617 270 HG SER 42 HG SER 42 19.074 5.917 12.487 271 H GLY 43 H GLY 43 17.631 8.131 13.894 272 HA2 GLY 43 1HA GLY 43 18.792 10.057 14.380 273 HA3 GLY 43 2HA GLY 43 17.970 9.947 15.929 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -5.088 -27.956 -16.442 2 HA2 GLY 1 1HA GLY 1 -7.358 -26.550 -17.335 3 HA3 GLY 1 2HA GLY 1 -7.885 -27.881 -16.316 4 H SER 2 H SER 2 -7.889 -27.604 -14.171 5 HA SER 2 HA SER 2 -6.484 -25.242 -13.103 6 HB2 SER 2 1HB SER 2 -9.143 -26.398 -12.229 7 HB3 SER 2 2HB SER 2 -8.309 -25.067 -11.428 8 HG SER 2 HG SER 2 -9.185 -23.804 -12.843 9 H SER 3 H SER 3 -4.954 -25.694 -11.677 10 HA SER 3 HA SER 3 -5.247 -28.070 -9.973 11 HB2 SER 3 1HB SER 3 -3.640 -28.331 -12.008 12 HB3 SER 3 2HB SER 3 -2.554 -27.308 -11.067 13 HG SER 3 HG SER 3 -2.334 -29.645 -10.762 14 H GLY 4 H GLY 4 -5.814 -26.772 -8.221 15 HA2 GLY 4 1HA GLY 4 -3.543 -25.440 -6.955 16 HA3 GLY 4 2HA GLY 4 -4.975 -24.463 -7.241 17 H SER 5 H SER 5 -3.720 -27.271 -5.532 18 HA SER 5 HA SER 5 -6.013 -27.950 -4.086 19 HB2 SER 5 1HB SER 5 -4.513 -29.103 -2.549 20 HB3 SER 5 2HB SER 5 -3.968 -29.351 -4.208 21 HG SER 5 HG SER 5 -2.481 -28.548 -2.309 22 H SER 6 H SER 6 -3.392 -25.693 -3.304 23 HA SER 6 HA SER 6 -5.011 -24.691 -1.057 24 HB2 SER 6 1HB SER 6 -2.044 -24.305 -1.510 25 HB3 SER 6 2HB SER 6 -2.960 -23.871 -0.066 26 HG SER 6 HG SER 6 -3.499 -26.312 -0.227 27 H GLY 7 H GLY 7 -5.971 -22.793 -1.324 28 HA2 GLY 7 1HA GLY 7 -4.844 -20.935 -3.328 29 HA3 GLY 7 2HA GLY 7 -6.567 -21.112 -3.028 30 H ASN 8 H ASN 8 -3.886 -20.832 -0.720 31 HA ASN 8 HA ASN 8 -5.332 -18.737 0.673 32 HB2 ASN 8 1HB ASN 8 -4.030 -20.725 1.736 33 HB3 ASN 8 2HB ASN 8 -2.606 -19.727 1.455 34 HD21 ASN 8 1HD2 ASN 8 -2.018 -18.807 3.274 35 HD22 ASN 8 2HD2 ASN 8 -3.068 -18.073 4.433 36 H GLY 9 H GLY 9 -3.957 -16.863 1.537 37 HA2 GLY 9 1HA GLY 9 -2.405 -15.152 1.193 38 HA3 GLY 9 2HA GLY 9 -1.852 -15.977 -0.256 39 H ALA 10 H ALA 10 -3.838 -13.510 1.013 40 HA ALA 10 HA ALA 10 -4.987 -13.012 -1.655 41 HB1 ALA 10 3HB ALA 10 -6.952 -12.711 -0.674 42 HB2 ALA 10 1HB ALA 10 -6.227 -13.120 0.881 43 HB3 ALA 10 2HB ALA 10 -6.275 -11.441 0.344 44 H PHE 11 H PHE 11 -3.977 -11.211 1.259 45 HA PHE 11 HA PHE 11 -2.615 -9.289 -0.489 46 HB2 PHE 11 1HB PHE 11 -4.422 -8.518 1.812 47 HB3 PHE 11 2HB PHE 11 -3.487 -7.409 0.815 48 HD1 PHE 11 2HD PHE 11 -3.936 -7.889 -1.838 49 HD2 PHE 11 1HD PHE 11 -6.659 -8.571 1.361 50 HE1 PHE 11 2HE PHE 11 -5.821 -7.712 -3.409 51 HE2 PHE 11 1HE PHE 11 -8.548 -8.397 -0.205 52 HZ PHE 11 HZ PHE 11 -8.131 -7.966 -2.593 53 H PHE 12 H PHE 12 -0.651 -8.691 0.211 54 HA PHE 12 HA PHE 12 0.077 -9.316 2.994 55 HB2 PHE 12 1HB PHE 12 1.756 -9.786 0.523 56 HB3 PHE 12 2HB PHE 12 2.325 -9.981 2.177 57 HD1 PHE 12 2HD PHE 12 1.433 -11.792 3.586 58 HD2 PHE 12 1HD PHE 12 0.407 -11.434 -0.529 59 HE1 PHE 12 2HE PHE 12 0.635 -14.119 3.587 60 HE2 PHE 12 1HE PHE 12 -0.394 -13.761 -0.535 61 HZ PHE 12 HZ PHE 12 -0.280 -15.107 1.524 62 H CYS 13 H CYS 13 1.021 -7.709 4.082 63 HA CYS 13 HA CYS 13 1.233 -5.122 2.974 64 HB2 CYS 13 1HB CYS 13 0.794 -5.495 5.356 65 HB3 CYS 13 2HB CYS 13 2.389 -6.216 5.547 66 H ASN 14 H ASN 14 3.033 -3.859 2.485 67 HA ASN 14 HA ASN 14 5.323 -5.369 1.532 68 HB2 ASN 14 1HB ASN 14 4.526 -3.791 -0.041 69 HB3 ASN 14 2HB ASN 14 4.410 -2.520 1.172 70 HD21 ASN 14 1HD2 ASN 14 6.050 -3.330 -1.437 71 HD22 ASN 14 2HD2 ASN 14 7.607 -2.677 -1.071 72 H GLU 15 H GLU 15 4.714 -2.597 3.676 73 HA GLU 15 HA GLU 15 7.323 -2.113 4.484 74 HB2 GLU 15 1HB GLU 15 4.678 -1.736 5.864 75 HB3 GLU 15 2HB GLU 15 6.187 -1.303 6.656 76 HG2 GLU 15 1HG GLU 15 5.062 -0.160 4.115 77 HG3 GLU 15 2HG GLU 15 5.279 0.657 5.661 78 H CYS 16 H CYS 16 4.970 -4.428 5.744 79 HA CYS 16 HA CYS 16 7.166 -5.819 7.102 80 HB2 CYS 16 1HB CYS 16 5.978 -6.075 9.128 81 HB3 CYS 16 2HB CYS 16 5.797 -4.376 8.704 82 H ASP 17 H ASP 17 6.107 -7.993 8.048 83 HA ASP 17 HA ASP 17 4.870 -9.272 5.719 84 HB2 ASP 17 1HB ASP 17 5.770 -11.324 6.480 85 HB3 ASP 17 2HB ASP 17 7.042 -10.134 6.740 86 H CYS 18 H CYS 18 2.731 -9.417 5.787 87 HA CYS 18 HA CYS 18 1.430 -10.654 8.034 88 HB2 CYS 18 1HB CYS 18 1.640 -8.047 8.413 89 HB3 CYS 18 2HB CYS 18 0.275 -7.996 7.305 90 HG CYS 18 HG CYS 18 -0.967 -7.836 9.682 91 H ARG 19 H ARG 19 -0.744 -11.287 7.578 92 HA ARG 19 HA ARG 19 -1.403 -11.190 4.707 93 HB2 ARG 19 1HB ARG 19 -2.402 -13.400 4.939 94 HB3 ARG 19 2HB ARG 19 -0.719 -13.433 5.447 95 HG2 ARG 19 1HG ARG 19 -1.636 -14.627 7.143 96 HG3 ARG 19 2HG ARG 19 -1.806 -13.006 7.820 97 HD2 ARG 19 1HD ARG 19 -4.107 -12.929 6.852 98 HD3 ARG 19 2HD ARG 19 -3.914 -14.621 6.396 99 HE ARG 19 HE ARG 19 -4.444 -13.584 9.021 100 HH11 ARG 19 1HH1 ARG 19 -3.103 -16.240 7.214 101 HH12 ARG 19 2HH1 ARG 19 -3.332 -17.392 8.487 102 HH21 ARG 19 1HH2 ARG 19 -4.751 -15.091 10.705 103 HH22 ARG 19 2HH2 ARG 19 -4.270 -16.738 10.472 104 H PHE 20 H PHE 20 -3.585 -11.009 4.117 105 HA PHE 20 HA PHE 20 -5.542 -10.538 6.228 106 HB2 PHE 20 1HB PHE 20 -4.868 -8.490 4.106 107 HB3 PHE 20 2HB PHE 20 -6.255 -8.396 5.186 108 HD1 PHE 20 2HD PHE 20 -5.741 -8.425 7.721 109 HD2 PHE 20 1HD PHE 20 -2.863 -7.522 4.717 110 HE1 PHE 20 2HE PHE 20 -4.357 -7.273 9.397 111 HE2 PHE 20 1HE PHE 20 -1.474 -6.370 6.389 112 HZ PHE 20 HZ PHE 20 -2.221 -6.243 8.732 113 H SER 21 H SER 21 -7.590 -11.091 5.666 114 HA SER 21 HA SER 21 -7.919 -12.434 3.113 115 HB2 SER 21 1HB SER 21 -10.149 -13.101 4.104 116 HB3 SER 21 2HB SER 21 -8.737 -13.645 5.011 117 HG SER 21 HG SER 21 -10.737 -11.949 5.755 118 H GLU 22 H GLU 22 -7.801 -9.444 3.400 119 HA GLU 22 HA GLU 22 -9.814 -8.827 1.495 120 HB2 GLU 22 1HB GLU 22 -11.001 -8.879 3.820 121 HB3 GLU 22 2HB GLU 22 -10.202 -7.332 4.065 122 HG2 GLU 22 1HG GLU 22 -11.363 -6.326 2.293 123 HG3 GLU 22 2HG GLU 22 -11.895 -7.880 1.652 124 H GLU 23 H GLU 23 -9.582 -6.731 0.609 125 HA GLU 23 HA GLU 23 -6.926 -5.676 0.855 126 HB2 GLU 23 1HB GLU 23 -7.463 -4.288 -0.991 127 HB3 GLU 23 2HB GLU 23 -8.258 -5.827 -1.291 128 HG2 GLU 23 1HG GLU 23 -10.331 -4.756 -0.256 129 HG3 GLU 23 2HG GLU 23 -9.479 -3.225 -0.447 130 H ALA 24 H ALA 24 -10.104 -4.795 1.996 131 HA ALA 24 HA ALA 24 -9.602 -2.114 2.679 132 HB1 ALA 24 3HB ALA 24 -11.853 -2.820 2.617 133 HB2 ALA 24 1HB ALA 24 -11.552 -4.137 3.751 134 HB3 ALA 24 2HB ALA 24 -11.507 -2.464 4.310 135 H SER 25 H SER 25 -9.158 -5.126 4.481 136 HA SER 25 HA SER 25 -8.505 -4.016 6.964 137 HB2 SER 25 1HB SER 25 -8.993 -6.407 6.645 138 HB3 SER 25 2HB SER 25 -7.492 -6.594 5.739 139 HG SER 25 HG SER 25 -6.380 -5.940 7.651 140 H LEU 26 H LEU 26 -6.353 -5.075 4.330 141 HA LEU 26 HA LEU 26 -3.919 -4.443 5.463 142 HB2 LEU 26 1HB LEU 26 -3.895 -5.608 3.430 143 HB3 LEU 26 2HB LEU 26 -4.885 -4.393 2.625 144 HG LEU 26 HG LEU 26 -2.770 -2.874 3.094 145 HD11 LEU 26 1HD1 LEU 26 -1.647 -4.751 4.334 146 HD12 LEU 26 2HD1 LEU 26 -0.703 -4.031 3.030 147 HD13 LEU 26 3HD1 LEU 26 -1.501 -5.584 2.787 148 HD21 LEU 26 3HD2 LEU 26 -3.767 -4.386 0.905 149 HD22 LEU 26 1HD2 LEU 26 -2.005 -4.441 0.859 150 HD23 LEU 26 2HD2 LEU 26 -2.838 -2.887 0.878 151 H LYS 27 H LYS 27 -5.854 -2.339 3.329 152 HA LYS 27 HA LYS 27 -4.362 -0.075 3.300 153 HB2 LYS 27 1HB LYS 27 -7.346 -0.420 3.493 154 HB3 LYS 27 2HB LYS 27 -6.616 1.174 3.348 155 HG2 LYS 27 1HG LYS 27 -5.412 0.137 1.288 156 HG3 LYS 27 2HG LYS 27 -6.715 -1.052 1.365 157 HD2 LYS 27 1HD LYS 27 -7.151 1.931 1.269 158 HD3 LYS 27 2HD LYS 27 -7.166 0.884 -0.152 159 HE2 LYS 27 1HE LYS 27 -8.960 -0.459 1.029 160 HE3 LYS 27 2HE LYS 27 -9.049 0.860 2.196 161 HZ1 LYS 27 3HZ LYS 27 -9.398 2.327 0.155 162 HZ2 LYS 27 1HZ LYS 27 -10.689 1.351 0.647 163 HZ3 LYS 27 2HZ LYS 27 -9.739 0.893 -0.675 164 H ARG 28 H ARG 28 -6.685 -0.943 5.855 165 HA ARG 28 HA ARG 28 -6.170 1.315 7.472 166 HB2 ARG 28 1HB ARG 28 -8.154 -0.316 7.566 167 HB3 ARG 28 2HB ARG 28 -7.099 -1.348 8.523 168 HG2 ARG 28 1HG ARG 28 -8.348 -0.154 10.090 169 HG3 ARG 28 2HG ARG 28 -6.787 0.668 10.048 170 HD2 ARG 28 1HD ARG 28 -8.551 2.309 10.056 171 HD3 ARG 28 2HD ARG 28 -7.746 2.327 8.487 172 HE ARG 28 HE ARG 28 -9.735 1.761 7.535 173 HH11 ARG 28 1HH1 ARG 28 -9.820 0.846 10.893 174 HH12 ARG 28 2HH1 ARG 28 -11.477 0.342 10.848 175 HH21 ARG 28 1HH2 ARG 28 -11.917 1.101 7.464 176 HH22 ARG 28 2HH2 ARG 28 -12.669 0.487 8.897 177 H HIS 29 H HIS 29 -5.065 -2.061 7.781 178 HA HIS 29 HA HIS 29 -3.489 -1.905 9.993 179 HB2 HIS 29 1HB HIS 29 -3.587 -4.029 9.066 180 HB3 HIS 29 2HB HIS 29 -3.217 -3.451 7.444 181 HD1 HIS 29 1HD HIS 29 -1.662 -4.813 10.487 182 HD2 HIS 29 2HD HIS 29 -0.427 -2.909 7.007 183 HE1 HIS 29 1HE HIS 29 0.820 -5.197 10.355 184 H THR 30 H THR 30 -2.288 -1.326 6.682 185 HA THR 30 HA THR 30 0.269 -0.534 7.240 186 HB THR 30 HB THR 30 -1.495 0.780 5.165 187 HG1 THR 30 1HG THR 30 -0.824 -0.919 3.821 188 HG21 THR 30 3HG2 THR 30 0.606 1.942 5.439 189 HG22 THR 30 1HG2 THR 30 0.648 1.024 3.934 190 HG23 THR 30 2HG2 THR 30 1.498 0.422 5.358 191 H LEU 31 H LEU 31 -2.684 1.320 7.625 192 HA LEU 31 HA LEU 31 -1.220 3.735 8.316 193 HB2 LEU 31 1HB LEU 31 -4.077 3.030 7.866 194 HB3 LEU 31 2HB LEU 31 -3.703 4.448 8.843 195 HG LEU 31 HG LEU 31 -4.184 4.875 6.407 196 HD11 LEU 31 1HD1 LEU 31 -3.206 6.736 7.184 197 HD12 LEU 31 2HD1 LEU 31 -1.802 6.172 6.277 198 HD13 LEU 31 3HD1 LEU 31 -1.925 5.844 8.006 199 HD21 LEU 31 3HD2 LEU 31 -1.406 3.825 5.948 200 HD22 LEU 31 1HD2 LEU 31 -2.603 4.329 4.755 201 HD23 LEU 31 2HD2 LEU 31 -2.846 2.843 5.673 202 H GLN 32 H GLN 32 -2.537 0.999 9.870 203 HA GLN 32 HA GLN 32 -2.804 2.324 12.448 204 HB2 GLN 32 1HB GLN 32 -3.496 -0.368 11.364 205 HB3 GLN 32 2HB GLN 32 -3.247 -0.205 13.097 206 HG2 GLN 32 1HG GLN 32 -4.931 1.666 13.046 207 HG3 GLN 32 2HG GLN 32 -5.287 1.185 11.388 208 HE21 GLN 32 1HE2 GLN 32 -5.147 -0.033 14.698 209 HE22 GLN 32 2HE2 GLN 32 -6.415 -1.192 14.515 210 H THR 33 H THR 33 -1.140 -0.639 11.359 211 HA THR 33 HA THR 33 0.606 -0.794 13.541 212 HB THR 33 HB THR 33 1.027 -1.860 10.741 213 HG1 THR 33 1HG THR 33 0.320 -3.842 12.040 214 HG21 THR 33 3HG2 THR 33 2.899 -1.712 12.722 215 HG22 THR 33 1HG2 THR 33 2.877 -2.930 11.447 216 HG23 THR 33 2HG2 THR 33 2.180 -3.294 13.026 217 H HIS 34 H HIS 34 1.124 0.550 10.288 218 HA HIS 34 HA HIS 34 3.644 1.732 11.216 219 HB2 HIS 34 1HB HIS 34 2.636 1.754 8.378 220 HB3 HIS 34 2HB HIS 34 4.292 1.930 8.953 221 HD1 HIS 34 1HD HIS 34 4.941 -0.447 10.474 222 HD2 HIS 34 2HD HIS 34 2.353 -0.663 7.231 223 HE1 HIS 34 1HE HIS 34 4.973 -2.854 9.747 224 H SER 35 H SER 35 4.090 3.946 10.913 225 HA SER 35 HA SER 35 2.082 5.751 9.947 226 HB2 SER 35 1HB SER 35 2.630 5.603 12.919 227 HB3 SER 35 2HB SER 35 1.816 6.956 12.133 228 HG SER 35 HG SER 35 0.057 5.822 12.108 229 H ASP 36 H ASP 36 3.070 7.484 9.140 230 HA ASP 36 HA ASP 36 5.893 7.806 9.423 231 HB2 ASP 36 1HB ASP 36 4.090 9.883 8.216 232 HB3 ASP 36 2HB ASP 36 5.733 9.444 7.758 233 H LYS 37 H LYS 37 3.066 9.355 10.788 234 HA LYS 37 HA LYS 37 4.794 11.241 12.239 235 HB2 LYS 37 1HB LYS 37 2.947 12.228 10.929 236 HB3 LYS 37 2HB LYS 37 1.793 11.288 11.866 237 HG2 LYS 37 1HG LYS 37 1.664 13.252 12.992 238 HG3 LYS 37 2HG LYS 37 2.993 12.507 13.885 239 HD2 LYS 37 1HD LYS 37 4.575 13.686 12.343 240 HD3 LYS 37 2HD LYS 37 3.187 14.545 11.671 241 HE2 LYS 37 1HE LYS 37 4.217 15.943 13.322 242 HE3 LYS 37 2HE LYS 37 2.674 15.376 13.958 243 HZ1 LYS 37 3HZ LYS 37 3.772 14.635 15.716 244 HZ2 LYS 37 1HZ LYS 37 5.266 15.033 15.029 245 HZ3 LYS 37 2HZ LYS 37 4.575 13.518 14.731 246 H SER 38 H SER 38 5.501 10.144 14.000 247 HA SER 38 HA SER 38 3.435 9.200 15.868 248 HB2 SER 38 1HB SER 38 4.692 7.324 14.639 249 HB3 SER 38 2HB SER 38 6.095 7.807 15.591 250 HG SER 38 HG SER 38 4.403 7.599 17.408 251 H GLY 39 H GLY 39 3.705 9.796 17.957 252 HA2 GLY 39 1HA GLY 39 4.733 10.645 19.852 253 HA3 GLY 39 2HA GLY 39 6.262 10.636 18.985 254 HA PRO 40 HA PRO 40 4.097 14.941 19.178 255 HB2 PRO 40 1HB PRO 40 5.002 15.896 21.553 256 HB3 PRO 40 2HB PRO 40 3.463 15.043 21.384 257 HG2 PRO 40 1HG PRO 40 6.109 14.009 22.328 258 HG3 PRO 40 2HG PRO 40 4.490 13.712 22.990 259 HD2 PRO 40 1HD PRO 40 5.764 11.928 21.401 260 HD3 PRO 40 2HD PRO 40 3.998 12.113 21.406 261 H SER 41 H SER 41 5.811 14.932 17.498 262 HA SER 41 HA SER 41 8.373 16.022 18.425 263 HB2 SER 41 1HB SER 41 8.339 14.031 16.873 264 HB3 SER 41 2HB SER 41 7.674 15.095 15.633 265 HG SER 41 HG SER 41 10.103 14.744 15.847 266 H SER 42 H SER 42 6.208 16.545 15.636 267 HA SER 42 HA SER 42 6.854 19.413 15.795 268 HB2 SER 42 1HB SER 42 7.355 17.959 13.673 269 HB3 SER 42 2HB SER 42 5.629 18.148 13.367 270 HG SER 42 HG SER 42 7.129 20.423 13.994 271 H GLY 43 H GLY 43 4.963 18.515 17.558 272 HA2 GLY 43 1HA GLY 43 2.533 19.760 16.459 273 HA3 GLY 43 2HA GLY 43 2.412 18.222 17.299 Start of MODEL 4 1 H1 GLY 1 H GLY 1 7.643 -29.799 -1.423 2 HA2 GLY 1 1HA GLY 1 6.364 -29.730 -3.641 3 HA3 GLY 1 2HA GLY 1 5.366 -30.965 -2.888 4 H SER 2 H SER 2 5.390 -27.826 -3.647 5 HA SER 2 HA SER 2 4.192 -26.826 -1.186 6 HB2 SER 2 1HB SER 2 4.829 -25.460 -3.810 7 HB3 SER 2 2HB SER 2 4.112 -24.652 -2.417 8 HG SER 2 HG SER 2 6.631 -25.961 -2.472 9 H SER 3 H SER 3 2.727 -28.872 -2.352 10 HA SER 3 HA SER 3 0.308 -27.418 -3.172 11 HB2 SER 3 1HB SER 3 -0.214 -29.006 -4.866 12 HB3 SER 3 2HB SER 3 1.478 -28.578 -5.116 13 HG SER 3 HG SER 3 0.477 -30.979 -4.760 14 H GLY 4 H GLY 4 -1.672 -28.374 -2.552 15 HA2 GLY 4 1HA GLY 4 -2.382 -30.695 -1.497 16 HA3 GLY 4 2HA GLY 4 -1.416 -30.054 -0.176 17 H SER 5 H SER 5 -2.070 -27.462 -0.027 18 HA SER 5 HA SER 5 -4.981 -27.514 0.437 19 HB2 SER 5 1HB SER 5 -3.377 -27.422 2.457 20 HB3 SER 5 2HB SER 5 -3.062 -25.760 1.959 21 HG SER 5 HG SER 5 -5.641 -26.819 2.489 22 H SER 6 H SER 6 -6.205 -25.889 -0.348 23 HA SER 6 HA SER 6 -5.478 -24.384 -2.501 24 HB2 SER 6 1HB SER 6 -7.804 -24.731 -1.299 25 HB3 SER 6 2HB SER 6 -7.421 -23.168 -0.578 26 HG SER 6 HG SER 6 -6.918 -22.710 -3.000 27 H GLY 7 H GLY 7 -4.659 -22.358 -2.896 28 HA2 GLY 7 1HA GLY 7 -2.859 -21.297 -0.966 29 HA3 GLY 7 2HA GLY 7 -3.243 -20.583 -2.525 30 H ASN 8 H ASN 8 -3.268 -19.975 0.664 31 HA ASN 8 HA ASN 8 -5.668 -18.273 0.518 32 HB2 ASN 8 1HB ASN 8 -5.600 -20.026 2.328 33 HB3 ASN 8 2HB ASN 8 -4.230 -19.165 3.023 34 HD21 ASN 8 1HD2 ASN 8 -7.604 -18.792 2.071 35 HD22 ASN 8 2HD2 ASN 8 -7.993 -17.598 3.258 36 H GLY 9 H GLY 9 -5.369 -16.148 0.402 37 HA2 GLY 9 1HA GLY 9 -4.206 -14.254 1.598 38 HA3 GLY 9 2HA GLY 9 -2.720 -15.084 1.162 39 H ALA 10 H ALA 10 -4.417 -12.484 0.408 40 HA ALA 10 HA ALA 10 -3.612 -12.587 -2.422 41 HB1 ALA 10 3HB ALA 10 -5.728 -12.347 -3.046 42 HB2 ALA 10 1HB ALA 10 -6.253 -12.217 -1.367 43 HB3 ALA 10 2HB ALA 10 -5.746 -10.775 -2.247 44 H PHE 11 H PHE 11 -4.730 -10.273 0.059 45 HA PHE 11 HA PHE 11 -2.829 -8.307 -0.982 46 HB2 PHE 11 1HB PHE 11 -4.975 -7.924 1.114 47 HB3 PHE 11 2HB PHE 11 -4.062 -6.662 0.293 48 HD1 PHE 11 2HD PHE 11 -4.466 -6.204 -2.100 49 HD2 PHE 11 1HD PHE 11 -6.872 -8.932 0.111 50 HE1 PHE 11 2HE PHE 11 -6.197 -6.087 -3.845 51 HE2 PHE 11 1HE PHE 11 -8.606 -8.820 -1.630 52 HZ PHE 11 HZ PHE 11 -8.270 -7.395 -3.611 53 H PHE 12 H PHE 12 -0.901 -9.150 -0.159 54 HA PHE 12 HA PHE 12 -0.662 -9.346 2.754 55 HB2 PHE 12 1HB PHE 12 1.602 -10.319 2.217 56 HB3 PHE 12 2HB PHE 12 0.233 -11.254 1.625 57 HD1 PHE 12 1HD PHE 12 2.993 -9.030 0.665 58 HD2 PHE 12 2HD PHE 12 -0.151 -11.546 -0.711 59 HE1 PHE 12 1HE PHE 12 3.940 -8.966 -1.605 60 HE2 PHE 12 2HE PHE 12 0.791 -11.487 -2.983 61 HZ PHE 12 HZ PHE 12 2.840 -10.197 -3.432 62 H CYS 13 H CYS 13 0.795 -8.129 3.934 63 HA CYS 13 HA CYS 13 1.417 -5.545 2.841 64 HB2 CYS 13 1HB CYS 13 0.719 -6.222 5.285 65 HB3 CYS 13 2HB CYS 13 2.449 -6.476 5.492 66 H ASN 14 H ASN 14 3.251 -4.932 1.907 67 HA ASN 14 HA ASN 14 5.452 -6.792 1.708 68 HB2 ASN 14 1HB ASN 14 5.439 -3.982 0.627 69 HB3 ASN 14 2HB ASN 14 6.306 -5.388 0.016 70 HD21 ASN 14 1HD2 ASN 14 5.453 -6.415 -1.643 71 HD22 ASN 14 2HD2 ASN 14 3.816 -6.288 -2.180 72 H GLU 15 H GLU 15 4.930 -3.535 3.021 73 HA GLU 15 HA GLU 15 7.470 -2.912 3.861 74 HB2 GLU 15 1HB GLU 15 4.835 -2.344 5.225 75 HB3 GLU 15 2HB GLU 15 6.359 -1.601 5.692 76 HG2 GLU 15 1HG GLU 15 5.328 -1.403 2.889 77 HG3 GLU 15 2HG GLU 15 4.789 -0.296 4.150 78 H CYS 16 H CYS 16 5.003 -4.681 5.726 79 HA CYS 16 HA CYS 16 7.174 -5.724 7.426 80 HB2 CYS 16 1HB CYS 16 5.641 -5.845 9.262 81 HB3 CYS 16 2HB CYS 16 5.501 -4.233 8.569 82 H ASP 17 H ASP 17 6.470 -7.861 8.513 83 HA ASP 17 HA ASP 17 5.724 -9.674 6.366 84 HB2 ASP 17 1HB ASP 17 7.711 -9.992 7.977 85 HB3 ASP 17 2HB ASP 17 6.501 -10.490 9.158 86 H CYS 18 H CYS 18 3.490 -9.225 6.222 87 HA CYS 18 HA CYS 18 1.902 -10.726 8.127 88 HB2 CYS 18 1HB CYS 18 1.423 -7.784 7.616 89 HB3 CYS 18 2HB CYS 18 0.268 -8.851 8.405 90 HG CYS 18 HG CYS 18 1.198 -7.778 10.611 91 H ARG 19 H ARG 19 -0.498 -10.647 7.391 92 HA ARG 19 HA ARG 19 -0.832 -10.273 4.532 93 HB2 ARG 19 1HB ARG 19 -1.241 -12.994 5.786 94 HB3 ARG 19 2HB ARG 19 -1.539 -12.563 4.107 95 HG2 ARG 19 1HG ARG 19 0.939 -11.966 4.000 96 HG3 ARG 19 2HG ARG 19 1.085 -12.832 5.531 97 HD2 ARG 19 1HD ARG 19 1.600 -14.398 3.837 98 HD3 ARG 19 2HD ARG 19 -0.029 -14.788 4.387 99 HE ARG 19 HE ARG 19 -0.332 -13.082 2.241 100 HH11 ARG 19 1HH1 ARG 19 1.077 -16.210 2.828 101 HH12 ARG 19 2HH1 ARG 19 0.783 -16.789 1.221 102 HH21 ARG 19 1HH2 ARG 19 -0.725 -13.832 0.123 103 HH22 ARG 19 2HH2 ARG 19 -0.241 -15.435 -0.317 104 H PHE 20 H PHE 20 -3.080 -10.580 3.846 105 HA PHE 20 HA PHE 20 -5.070 -10.673 5.968 106 HB2 PHE 20 1HB PHE 20 -4.737 -8.291 4.134 107 HB3 PHE 20 2HB PHE 20 -6.139 -8.567 5.162 108 HD1 PHE 20 2HD PHE 20 -5.977 -8.343 7.576 109 HD2 PHE 20 1HD PHE 20 -2.634 -7.581 5.054 110 HE1 PHE 20 2HE PHE 20 -4.839 -7.201 9.435 111 HE2 PHE 20 1HE PHE 20 -1.490 -6.439 6.909 112 HZ PHE 20 HZ PHE 20 -2.593 -6.246 9.102 113 H SER 21 H SER 21 -7.325 -10.574 5.024 114 HA SER 21 HA SER 21 -7.391 -12.306 2.687 115 HB2 SER 21 1HB SER 21 -9.503 -11.471 4.681 116 HB3 SER 21 2HB SER 21 -9.852 -12.470 3.270 117 HG SER 21 HG SER 21 -8.426 -14.023 4.074 118 H GLU 22 H GLU 22 -8.945 -9.286 3.761 119 HA GLU 22 HA GLU 22 -9.700 -8.725 0.987 120 HB2 GLU 22 1HB GLU 22 -10.490 -7.298 3.533 121 HB3 GLU 22 2HB GLU 22 -11.121 -6.962 1.927 122 HG2 GLU 22 1HG GLU 22 -12.114 -9.174 1.829 123 HG3 GLU 22 2HG GLU 22 -11.443 -9.559 3.413 124 H GLU 23 H GLU 23 -9.490 -6.412 0.276 125 HA GLU 23 HA GLU 23 -6.756 -5.595 0.589 126 HB2 GLU 23 1HB GLU 23 -7.213 -3.977 -1.118 127 HB3 GLU 23 2HB GLU 23 -8.009 -5.477 -1.571 128 HG2 GLU 23 1HG GLU 23 -9.576 -3.464 -0.054 129 HG3 GLU 23 2HG GLU 23 -9.222 -3.146 -1.751 130 H ALA 24 H ALA 24 -9.854 -4.573 1.815 131 HA ALA 24 HA ALA 24 -9.061 -2.004 2.728 132 HB1 ALA 24 3HB ALA 24 -11.355 -2.236 2.527 133 HB2 ALA 24 1HB ALA 24 -11.368 -3.815 3.314 134 HB3 ALA 24 2HB ALA 24 -11.114 -2.354 4.270 135 H SER 25 H SER 25 -9.461 -5.117 4.414 136 HA SER 25 HA SER 25 -8.828 -4.436 6.970 137 HB2 SER 25 1HB SER 25 -9.305 -6.771 5.881 138 HB3 SER 25 2HB SER 25 -7.547 -6.886 5.805 139 HG SER 25 HG SER 25 -7.840 -7.612 7.776 140 H LEU 26 H LEU 26 -6.600 -4.826 4.275 141 HA LEU 26 HA LEU 26 -4.223 -4.603 5.826 142 HB2 LEU 26 1HB LEU 26 -4.033 -5.655 3.726 143 HB3 LEU 26 2HB LEU 26 -4.824 -4.316 2.898 144 HG LEU 26 HG LEU 26 -2.696 -2.997 3.752 145 HD11 LEU 26 1HD1 LEU 26 -2.048 -5.421 4.756 146 HD12 LEU 26 2HD1 LEU 26 -0.873 -4.186 4.307 147 HD13 LEU 26 3HD1 LEU 26 -1.252 -5.492 3.184 148 HD21 LEU 26 3HD2 LEU 26 -2.717 -2.859 1.524 149 HD22 LEU 26 1HD2 LEU 26 -3.356 -4.493 1.342 150 HD23 LEU 26 2HD2 LEU 26 -1.622 -4.242 1.548 151 H LYS 27 H LYS 27 -6.170 -2.311 3.962 152 HA LYS 27 HA LYS 27 -4.560 -0.078 4.042 153 HB2 LYS 27 1HB LYS 27 -7.565 -0.162 4.375 154 HB3 LYS 27 2HB LYS 27 -6.627 1.251 3.908 155 HG2 LYS 27 1HG LYS 27 -6.357 -1.208 2.267 156 HG3 LYS 27 2HG LYS 27 -7.843 -0.267 2.128 157 HD2 LYS 27 1HD LYS 27 -6.404 1.756 1.735 158 HD3 LYS 27 2HD LYS 27 -5.019 0.666 1.638 159 HE2 LYS 27 1HE LYS 27 -7.473 0.431 -0.096 160 HE3 LYS 27 2HE LYS 27 -6.018 1.306 -0.569 161 HZ1 LYS 27 3HZ LYS 27 -5.518 -0.696 -1.453 162 HZ2 LYS 27 1HZ LYS 27 -6.473 -1.564 -0.358 163 HZ3 LYS 27 2HZ LYS 27 -4.946 -1.006 0.108 164 H ARG 28 H ARG 28 -7.016 -0.998 6.458 165 HA ARG 28 HA ARG 28 -6.517 1.077 8.259 166 HB2 ARG 28 1HB ARG 28 -8.389 -0.775 8.179 167 HB3 ARG 28 2HB ARG 28 -7.296 -1.630 9.259 168 HG2 ARG 28 1HG ARG 28 -7.317 0.410 10.726 169 HG3 ARG 28 2HG ARG 28 -8.618 1.030 9.707 170 HD2 ARG 28 1HD ARG 28 -9.990 -0.899 10.244 171 HD3 ARG 28 2HD ARG 28 -8.678 -1.591 11.198 172 HE ARG 28 HE ARG 28 -9.295 -0.242 12.931 173 HH11 ARG 28 1HH1 ARG 28 -10.630 1.043 9.983 174 HH12 ARG 28 2HH1 ARG 28 -11.552 2.273 10.784 175 HH21 ARG 28 1HH2 ARG 28 -10.503 1.373 13.996 176 HH22 ARG 28 2HH2 ARG 28 -11.478 2.460 13.066 177 H HIS 29 H HIS 29 -5.149 -2.197 8.115 178 HA HIS 29 HA HIS 29 -3.592 -2.108 10.415 179 HB2 HIS 29 1HB HIS 29 -3.645 -4.218 9.494 180 HB3 HIS 29 2HB HIS 29 -3.449 -3.622 7.848 181 HD1 HIS 29 1HD HIS 29 -1.505 -4.654 10.864 182 HD2 HIS 29 2HD HIS 29 -0.796 -3.284 7.006 183 HE1 HIS 29 1HE HIS 29 0.947 -5.032 10.457 184 H THR 30 H THR 30 -2.732 -1.156 7.100 185 HA THR 30 HA THR 30 -0.091 -0.348 7.724 186 HB THR 30 HB THR 30 -1.855 0.513 5.422 187 HG1 THR 30 1HG THR 30 -0.632 -1.122 4.314 188 HG21 THR 30 3HG2 THR 30 1.091 0.489 5.178 189 HG22 THR 30 1HG2 THR 30 0.402 1.772 6.171 190 HG23 THR 30 2HG2 THR 30 -0.095 1.597 4.488 191 H LEU 31 H LEU 31 -3.141 1.438 7.417 192 HA LEU 31 HA LEU 31 -2.108 4.014 7.779 193 HB2 LEU 31 1HB LEU 31 -4.306 3.851 6.985 194 HB3 LEU 31 2HB LEU 31 -4.794 2.786 8.302 195 HG LEU 31 HG LEU 31 -4.417 4.817 9.825 196 HD11 LEU 31 1HD1 LEU 31 -3.214 6.077 7.981 197 HD12 LEU 31 2HD1 LEU 31 -4.448 6.967 8.873 198 HD13 LEU 31 3HD1 LEU 31 -4.804 6.339 7.264 199 HD21 LEU 31 3HD2 LEU 31 -6.615 3.837 9.148 200 HD22 LEU 31 1HD2 LEU 31 -6.660 4.998 7.821 201 HD23 LEU 31 2HD2 LEU 31 -6.660 5.567 9.490 202 H GLN 32 H GLN 32 -3.102 1.561 10.102 203 HA GLN 32 HA GLN 32 -2.640 3.332 12.352 204 HB2 GLN 32 1HB GLN 32 -3.636 0.526 12.032 205 HB3 GLN 32 2HB GLN 32 -3.064 1.070 13.605 206 HG2 GLN 32 1HG GLN 32 -5.282 2.311 11.993 207 HG3 GLN 32 2HG GLN 32 -5.468 1.302 13.426 208 HE21 GLN 32 1HE2 GLN 32 -4.878 2.135 15.447 209 HE22 GLN 32 2HE2 GLN 32 -4.720 3.834 15.715 210 H THR 33 H THR 33 -1.419 0.080 11.536 211 HA THR 33 HA THR 33 0.734 0.051 13.270 212 HB THR 33 HB THR 33 0.560 -1.253 10.547 213 HG1 THR 33 1HG THR 33 -0.178 -3.039 11.767 214 HG21 THR 33 3HG2 THR 33 2.440 -2.450 11.000 215 HG22 THR 33 1HG2 THR 33 2.168 -2.426 12.742 216 HG23 THR 33 2HG2 THR 33 2.836 -1.008 11.935 217 H HIS 34 H HIS 34 0.752 0.991 9.831 218 HA HIS 34 HA HIS 34 3.393 2.205 10.222 219 HB2 HIS 34 1HB HIS 34 1.932 1.821 7.608 220 HB3 HIS 34 2HB HIS 34 3.643 2.166 7.843 221 HD1 HIS 34 1HD HIS 34 4.653 0.077 9.631 222 HD2 HIS 34 2HD HIS 34 1.707 -0.742 6.818 223 HE1 HIS 34 1HE HIS 34 4.759 -2.407 9.249 224 H SER 35 H SER 35 3.719 4.257 8.839 225 HA SER 35 HA SER 35 1.449 6.059 9.367 226 HB2 SER 35 1HB SER 35 4.389 6.767 9.222 227 HB3 SER 35 2HB SER 35 3.070 7.853 9.658 228 HG SER 35 HG SER 35 2.828 6.824 11.559 229 H ASP 36 H ASP 36 0.469 6.884 7.654 230 HA ASP 36 HA ASP 36 1.985 7.108 5.135 231 HB2 ASP 36 1HB ASP 36 -0.920 6.381 5.549 232 HB3 ASP 36 2HB ASP 36 -0.221 6.769 3.980 233 H LYS 37 H LYS 37 2.552 9.267 5.693 234 HA LYS 37 HA LYS 37 1.063 11.346 6.536 235 HB2 LYS 37 1HB LYS 37 3.036 11.355 4.248 236 HB3 LYS 37 2HB LYS 37 2.417 12.811 5.015 237 HG2 LYS 37 1HG LYS 37 3.782 10.677 6.612 238 HG3 LYS 37 2HG LYS 37 4.699 11.920 5.759 239 HD2 LYS 37 1HD LYS 37 3.769 13.646 7.047 240 HD3 LYS 37 2HD LYS 37 2.455 12.621 7.629 241 HE2 LYS 37 1HE LYS 37 5.290 11.916 8.262 242 HE3 LYS 37 2HE LYS 37 4.473 13.176 9.187 243 HZ1 LYS 37 3HZ LYS 37 2.847 10.853 8.913 244 HZ2 LYS 37 1HZ LYS 37 3.339 11.660 10.317 245 HZ3 LYS 37 2HZ LYS 37 4.332 10.476 9.630 246 H SER 38 H SER 38 -0.741 12.356 5.948 247 HA SER 38 HA SER 38 -1.468 12.778 3.216 248 HB2 SER 38 1HB SER 38 -2.146 10.345 3.751 249 HB3 SER 38 2HB SER 38 -3.404 11.061 4.758 250 HG SER 38 HG SER 38 -4.427 11.754 3.020 251 H GLY 39 H GLY 39 -2.589 14.618 3.093 252 HA2 GLY 39 1HA GLY 39 -4.737 15.446 4.577 253 HA3 GLY 39 2HA GLY 39 -3.342 15.990 5.496 254 HA PRO 40 HA PRO 40 -4.423 18.741 1.686 255 HB2 PRO 40 1HB PRO 40 -6.273 20.426 2.740 256 HB3 PRO 40 2HB PRO 40 -6.704 18.939 1.887 257 HG2 PRO 40 1HG PRO 40 -6.531 19.451 4.831 258 HG3 PRO 40 2HG PRO 40 -7.766 18.562 3.921 259 HD2 PRO 40 1HD PRO 40 -5.781 17.320 5.282 260 HD3 PRO 40 2HD PRO 40 -6.475 16.657 3.788 261 H SER 41 H SER 41 -4.593 19.762 5.100 262 HA SER 41 HA SER 41 -2.401 21.646 4.561 263 HB2 SER 41 1HB SER 41 -5.057 22.206 5.832 264 HB3 SER 41 2HB SER 41 -3.638 23.116 6.351 265 HG SER 41 HG SER 41 -4.806 22.991 3.779 266 H SER 42 H SER 42 -1.094 22.169 6.389 267 HA SER 42 HA SER 42 -0.336 20.037 7.964 268 HB2 SER 42 1HB SER 42 1.047 22.056 7.584 269 HB3 SER 42 2HB SER 42 -0.019 22.970 8.651 270 HG SER 42 HG SER 42 1.099 20.605 9.627 271 H GLY 43 H GLY 43 -2.161 22.891 9.102 272 HA2 GLY 43 1HA GLY 43 -4.175 22.617 10.413 273 HA3 GLY 43 2HA GLY 43 -3.499 21.123 11.046 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -2.065 -35.183 6.724 2 HA2 GLY 1 1HA GLY 1 -3.929 -35.489 5.310 3 HA3 GLY 1 2HA GLY 1 -4.623 -34.651 6.690 4 H SER 2 H SER 2 -6.239 -33.939 5.125 5 HA SER 2 HA SER 2 -5.618 -32.302 2.922 6 HB2 SER 2 1HB SER 2 -8.134 -32.429 4.601 7 HB3 SER 2 2HB SER 2 -8.001 -31.594 3.053 8 HG SER 2 HG SER 2 -8.689 -34.035 3.341 9 H SER 3 H SER 3 -5.921 -30.015 2.675 10 HA SER 3 HA SER 3 -5.398 -28.514 5.158 11 HB2 SER 3 1HB SER 3 -3.439 -28.622 3.636 12 HB3 SER 3 2HB SER 3 -4.404 -27.860 2.372 13 HG SER 3 HG SER 3 -3.663 -26.088 3.237 14 H GLY 4 H GLY 4 -6.691 -28.176 1.853 15 HA2 GLY 4 1HA GLY 4 -8.387 -26.873 1.018 16 HA3 GLY 4 2HA GLY 4 -9.142 -27.093 2.589 17 H SER 5 H SER 5 -6.615 -25.169 0.986 18 HA SER 5 HA SER 5 -7.462 -22.882 2.641 19 HB2 SER 5 1HB SER 5 -5.105 -22.049 2.422 20 HB3 SER 5 2HB SER 5 -5.251 -23.542 3.349 21 HG SER 5 HG SER 5 -3.823 -24.267 1.992 22 H SER 6 H SER 6 -6.165 -23.923 -0.478 23 HA SER 6 HA SER 6 -6.199 -22.978 -2.550 24 HB2 SER 6 1HB SER 6 -8.625 -23.263 -2.229 25 HB3 SER 6 2HB SER 6 -8.713 -21.669 -1.479 26 HG SER 6 HG SER 6 -8.081 -20.759 -3.443 27 H GLY 7 H GLY 7 -4.408 -21.728 -0.990 28 HA2 GLY 7 1HA GLY 7 -3.346 -19.725 -0.523 29 HA3 GLY 7 2HA GLY 7 -3.758 -19.404 -2.201 30 H ASN 8 H ASN 8 -5.812 -19.631 0.691 31 HA ASN 8 HA ASN 8 -7.418 -17.440 -0.038 32 HB2 ASN 8 1HB ASN 8 -8.038 -19.289 1.563 33 HB3 ASN 8 2HB ASN 8 -7.023 -18.498 2.765 34 HD21 ASN 8 1HD2 ASN 8 -7.837 -16.864 3.917 35 HD22 ASN 8 2HD2 ASN 8 -9.395 -16.159 3.670 36 H GLY 9 H GLY 9 -6.808 -15.385 -0.148 37 HA2 GLY 9 1HA GLY 9 -6.247 -13.363 1.022 38 HA3 GLY 9 2HA GLY 9 -5.166 -14.301 2.042 39 H ALA 10 H ALA 10 -5.434 -12.359 -0.725 40 HA ALA 10 HA ALA 10 -2.659 -13.005 -1.483 41 HB1 ALA 10 3HB ALA 10 -3.151 -12.901 -3.685 42 HB2 ALA 10 1HB ALA 10 -4.766 -13.321 -3.115 43 HB3 ALA 10 2HB ALA 10 -4.363 -11.640 -3.467 44 H PHE 11 H PHE 11 -3.777 -11.054 0.498 45 HA PHE 11 HA PHE 11 -2.653 -8.598 -0.681 46 HB2 PHE 11 1HB PHE 11 -4.638 -8.706 1.593 47 HB3 PHE 11 2HB PHE 11 -4.119 -7.288 0.687 48 HD1 PHE 11 1HD PHE 11 -5.892 -10.529 0.300 49 HD2 PHE 11 2HD PHE 11 -5.333 -6.568 -1.154 50 HE1 PHE 11 1HE PHE 11 -7.781 -10.834 -1.246 51 HE2 PHE 11 2HE PHE 11 -7.222 -6.867 -2.702 52 HZ PHE 11 HZ PHE 11 -8.449 -9.001 -2.749 53 H PHE 12 H PHE 12 -0.560 -8.778 -0.017 54 HA PHE 12 HA PHE 12 -0.060 -9.190 2.848 55 HB2 PHE 12 1HB PHE 12 1.887 -9.294 0.535 56 HB3 PHE 12 2HB PHE 12 2.253 -9.678 2.213 57 HD1 PHE 12 1HD PHE 12 0.093 -10.709 -0.627 58 HD2 PHE 12 2HD PHE 12 2.021 -11.850 2.991 59 HE1 PHE 12 1HE PHE 12 -0.541 -13.052 -1.032 60 HE2 PHE 12 2HE PHE 12 1.392 -14.195 2.592 61 HZ PHE 12 HZ PHE 12 0.110 -14.799 0.577 62 H CYS 13 H CYS 13 1.307 -7.785 4.001 63 HA CYS 13 HA CYS 13 1.163 -5.036 3.097 64 HB2 CYS 13 1HB CYS 13 0.581 -5.308 5.368 65 HB3 CYS 13 2HB CYS 13 1.966 -6.349 5.684 66 H ASN 14 H ASN 14 2.894 -3.675 2.724 67 HA ASN 14 HA ASN 14 5.262 -4.917 1.713 68 HB2 ASN 14 1HB ASN 14 4.340 -2.931 0.633 69 HB3 ASN 14 2HB ASN 14 4.580 -1.994 2.105 70 HD21 ASN 14 1HD2 ASN 14 6.138 -3.557 -0.588 71 HD22 ASN 14 2HD2 ASN 14 7.662 -2.761 -0.424 72 H GLU 15 H GLU 15 4.666 -2.611 4.367 73 HA GLU 15 HA GLU 15 7.222 -2.408 5.368 74 HB2 GLU 15 1HB GLU 15 4.663 -2.510 6.976 75 HB3 GLU 15 2HB GLU 15 6.196 -1.849 7.527 76 HG2 GLU 15 1HG GLU 15 4.713 -0.795 5.136 77 HG3 GLU 15 2HG GLU 15 4.490 -0.174 6.770 78 H CYS 16 H CYS 16 4.771 -4.469 6.928 79 HA CYS 16 HA CYS 16 6.934 -6.290 7.728 80 HB2 CYS 16 1HB CYS 16 5.464 -7.046 9.504 81 HB3 CYS 16 2HB CYS 16 5.569 -5.289 9.542 82 H ASP 17 H ASP 17 6.365 -8.620 7.832 83 HA ASP 17 HA ASP 17 5.091 -9.409 5.345 84 HB2 ASP 17 1HB ASP 17 7.283 -10.365 6.031 85 HB3 ASP 17 2HB ASP 17 6.488 -11.124 7.408 86 H CYS 18 H CYS 18 2.926 -8.809 6.048 87 HA CYS 18 HA CYS 18 1.719 -10.849 7.799 88 HB2 CYS 18 1HB CYS 18 1.180 -7.919 7.509 89 HB3 CYS 18 2HB CYS 18 -0.137 -8.989 7.972 90 HG CYS 18 HG CYS 18 1.727 -10.035 10.093 91 H ARG 19 H ARG 19 -0.712 -11.088 7.318 92 HA ARG 19 HA ARG 19 -1.238 -10.918 4.435 93 HB2 ARG 19 1HB ARG 19 -0.617 -13.149 4.517 94 HB3 ARG 19 2HB ARG 19 -1.229 -13.366 6.152 95 HG2 ARG 19 1HG ARG 19 -3.491 -13.407 5.369 96 HG3 ARG 19 2HG ARG 19 -2.978 -12.978 3.735 97 HD2 ARG 19 1HD ARG 19 -3.213 -15.244 3.508 98 HD3 ARG 19 2HD ARG 19 -1.516 -15.149 3.978 99 HE ARG 19 HE ARG 19 -3.705 -16.215 5.541 100 HH11 ARG 19 1HH1 ARG 19 -0.427 -15.042 5.533 101 HH12 ARG 19 2HH1 ARG 19 0.005 -15.854 7.002 102 HH21 ARG 19 1HH2 ARG 19 -3.148 -17.288 7.475 103 HH22 ARG 19 2HH2 ARG 19 -1.543 -17.132 8.105 104 H PHE 20 H PHE 20 -3.511 -11.105 3.877 105 HA PHE 20 HA PHE 20 -5.440 -10.854 6.030 106 HB2 PHE 20 1HB PHE 20 -5.138 -8.641 3.991 107 HB3 PHE 20 2HB PHE 20 -6.311 -8.710 5.302 108 HD1 PHE 20 2HD PHE 20 -5.469 -8.633 7.677 109 HD2 PHE 20 1HD PHE 20 -3.006 -7.742 4.322 110 HE1 PHE 20 2HE PHE 20 -3.888 -7.460 9.153 111 HE2 PHE 20 1HE PHE 20 -1.420 -6.569 5.793 112 HZ PHE 20 HZ PHE 20 -1.861 -6.426 8.212 113 H SER 21 H SER 21 -7.615 -11.103 5.342 114 HA SER 21 HA SER 21 -7.831 -12.547 2.812 115 HB2 SER 21 1HB SER 21 -8.682 -13.489 5.026 116 HB3 SER 21 2HB SER 21 -9.969 -12.288 4.928 117 HG SER 21 HG SER 21 -10.935 -13.734 3.753 118 H GLU 22 H GLU 22 -7.889 -9.477 3.422 119 HA GLU 22 HA GLU 22 -9.746 -8.861 1.321 120 HB2 GLU 22 1HB GLU 22 -10.893 -7.107 2.879 121 HB3 GLU 22 2HB GLU 22 -11.455 -8.773 2.874 122 HG2 GLU 22 1HG GLU 22 -9.853 -9.116 4.842 123 HG3 GLU 22 2HG GLU 22 -9.810 -7.356 4.934 124 H GLU 23 H GLU 23 -9.743 -6.506 0.813 125 HA GLU 23 HA GLU 23 -7.043 -5.483 1.094 126 HB2 GLU 23 1HB GLU 23 -7.589 -3.960 -0.651 127 HB3 GLU 23 2HB GLU 23 -8.299 -5.507 -1.091 128 HG2 GLU 23 1HG GLU 23 -9.937 -3.478 0.357 129 HG3 GLU 23 2HG GLU 23 -9.664 -3.320 -1.377 130 H ALA 24 H ALA 24 -9.939 -5.160 2.737 131 HA ALA 24 HA ALA 24 -9.798 -2.387 3.417 132 HB1 ALA 24 3HB ALA 24 -11.928 -3.432 3.543 133 HB2 ALA 24 1HB ALA 24 -11.317 -4.695 4.612 134 HB3 ALA 24 2HB ALA 24 -11.452 -3.036 5.195 135 H SER 25 H SER 25 -9.198 -5.344 5.327 136 HA SER 25 HA SER 25 -8.126 -4.046 7.564 137 HB2 SER 25 1HB SER 25 -8.884 -6.511 7.271 138 HB3 SER 25 2HB SER 25 -7.231 -6.792 6.725 139 HG SER 25 HG SER 25 -6.546 -5.856 8.741 140 H LEU 26 H LEU 26 -6.782 -4.660 4.473 141 HA LEU 26 HA LEU 26 -4.027 -4.598 5.255 142 HB2 LEU 26 1HB LEU 26 -4.450 -5.712 3.246 143 HB3 LEU 26 2HB LEU 26 -5.480 -4.417 2.641 144 HG LEU 26 HG LEU 26 -3.470 -2.998 2.371 145 HD11 LEU 26 1HD1 LEU 26 -1.450 -3.568 3.118 146 HD12 LEU 26 2HD1 LEU 26 -1.583 -5.207 2.482 147 HD13 LEU 26 3HD1 LEU 26 -2.272 -4.814 4.057 148 HD21 LEU 26 3HD2 LEU 26 -3.039 -3.819 0.300 149 HD22 LEU 26 1HD2 LEU 26 -4.445 -4.814 0.681 150 HD23 LEU 26 2HD2 LEU 26 -2.820 -5.472 0.877 151 H LYS 27 H LYS 27 -6.075 -2.283 3.470 152 HA LYS 27 HA LYS 27 -4.279 -0.171 3.396 153 HB2 LYS 27 1HB LYS 27 -7.241 -0.412 3.244 154 HB3 LYS 27 2HB LYS 27 -6.574 1.194 3.505 155 HG2 LYS 27 1HG LYS 27 -5.119 0.785 1.484 156 HG3 LYS 27 2HG LYS 27 -6.103 -0.649 1.179 157 HD2 LYS 27 1HD LYS 27 -8.107 0.748 1.064 158 HD3 LYS 27 2HD LYS 27 -7.131 2.183 1.388 159 HE2 LYS 27 1HE LYS 27 -6.496 0.393 -0.927 160 HE3 LYS 27 2HE LYS 27 -7.767 1.608 -1.056 161 HZ1 LYS 27 3HZ LYS 27 -4.900 1.940 -0.999 162 HZ2 LYS 27 1HZ LYS 27 -5.741 3.025 -0.009 163 HZ3 LYS 27 2HZ LYS 27 -6.093 2.940 -1.661 164 H ARG 28 H ARG 28 -6.839 -0.779 5.800 165 HA ARG 28 HA ARG 28 -6.263 1.409 7.452 166 HB2 ARG 28 1HB ARG 28 -8.333 0.008 7.545 167 HB3 ARG 28 2HB ARG 28 -7.388 -1.258 8.316 168 HG2 ARG 28 1HG ARG 28 -6.804 0.555 10.057 169 HG3 ARG 28 2HG ARG 28 -8.196 1.411 9.391 170 HD2 ARG 28 1HD ARG 28 -9.693 -0.170 10.135 171 HD3 ARG 28 2HD ARG 28 -8.487 -1.455 10.154 172 HE ARG 28 HE ARG 28 -7.926 -0.858 12.297 173 HH11 ARG 28 1HH1 ARG 28 -9.880 1.645 10.870 174 HH12 ARG 28 2HH1 ARG 28 -10.081 2.515 12.354 175 HH21 ARG 28 1HH2 ARG 28 -8.184 0.279 14.258 176 HH22 ARG 28 2HH2 ARG 28 -9.115 1.738 14.281 177 H HIS 29 H HIS 29 -4.942 -1.853 7.358 178 HA HIS 29 HA HIS 29 -3.504 -1.730 9.784 179 HB2 HIS 29 1HB HIS 29 -3.700 -3.897 9.013 180 HB3 HIS 29 2HB HIS 29 -3.398 -3.442 7.339 181 HD1 HIS 29 1HD HIS 29 -1.789 -4.905 10.239 182 HD2 HIS 29 2HD HIS 29 -0.560 -2.830 6.856 183 HE1 HIS 29 1HE HIS 29 0.677 -5.352 10.035 184 H THR 30 H THR 30 -2.352 -1.365 6.427 185 HA THR 30 HA THR 30 0.265 -0.662 6.970 186 HB THR 30 HB THR 30 -1.382 0.497 4.717 187 HG1 THR 30 1HG THR 30 0.159 -1.862 4.517 188 HG21 THR 30 3HG2 THR 30 1.566 -0.130 4.904 189 HG22 THR 30 1HG2 THR 30 0.860 1.480 5.034 190 HG23 THR 30 2HG2 THR 30 0.732 0.581 3.523 191 H LEU 31 H LEU 31 -2.593 1.137 7.535 192 HA LEU 31 HA LEU 31 -1.236 3.703 7.627 193 HB2 LEU 31 1HB LEU 31 -4.038 2.755 7.847 194 HB3 LEU 31 2HB LEU 31 -3.626 4.266 8.655 195 HG LEU 31 HG LEU 31 -3.070 3.799 5.736 196 HD11 LEU 31 1HD1 LEU 31 -5.510 3.514 6.338 197 HD12 LEU 31 2HD1 LEU 31 -5.139 4.775 5.162 198 HD13 LEU 31 3HD1 LEU 31 -5.489 5.206 6.836 199 HD21 LEU 31 3HD2 LEU 31 -2.044 5.757 5.961 200 HD22 LEU 31 1HD2 LEU 31 -2.603 5.926 7.626 201 HD23 LEU 31 2HD2 LEU 31 -3.621 6.476 6.294 202 H GLN 32 H GLN 32 -3.224 1.868 9.957 203 HA GLN 32 HA GLN 32 -2.297 3.309 12.205 204 HB2 GLN 32 1HB GLN 32 -4.407 1.784 11.881 205 HB3 GLN 32 2HB GLN 32 -3.332 0.511 12.444 206 HG2 GLN 32 1HG GLN 32 -4.340 1.198 14.391 207 HG3 GLN 32 2HG GLN 32 -2.842 2.126 14.402 208 HE21 GLN 32 1HE2 GLN 32 -5.941 2.558 12.734 209 HE22 GLN 32 2HE2 GLN 32 -6.236 4.153 13.330 210 H THR 33 H THR 33 -1.651 -0.080 11.290 211 HA THR 33 HA THR 33 0.321 -0.608 13.155 212 HB THR 33 HB THR 33 0.374 -1.715 10.349 213 HG1 THR 33 1HG THR 33 -1.010 -3.386 11.545 214 HG21 THR 33 3HG2 THR 33 0.920 -3.256 12.848 215 HG22 THR 33 1HG2 THR 33 2.165 -2.185 12.207 216 HG23 THR 33 2HG2 THR 33 1.541 -3.505 11.217 217 H HIS 34 H HIS 34 0.593 0.945 10.004 218 HA HIS 34 HA HIS 34 3.346 1.711 10.703 219 HB2 HIS 34 1HB HIS 34 2.446 1.070 7.892 220 HB3 HIS 34 2HB HIS 34 4.087 1.390 8.447 221 HD1 HIS 34 1HD HIS 34 5.285 -0.522 9.759 222 HD2 HIS 34 2HD HIS 34 1.555 -1.537 8.237 223 HE1 HIS 34 1HE HIS 34 5.157 -3.029 9.909 224 H SER 35 H SER 35 2.342 3.669 11.482 225 HA SER 35 HA SER 35 0.959 5.381 9.624 226 HB2 SER 35 1HB SER 35 1.948 5.776 12.451 227 HB3 SER 35 2HB SER 35 1.158 7.056 11.529 228 HG SER 35 HG SER 35 -0.539 5.310 11.222 229 H ASP 36 H ASP 36 2.200 6.058 7.964 230 HA ASP 36 HA ASP 36 4.591 7.627 8.650 231 HB2 ASP 36 1HB ASP 36 5.628 5.760 7.740 232 HB3 ASP 36 2HB ASP 36 4.310 5.450 6.613 233 H LYS 37 H LYS 37 4.515 9.636 7.903 234 HA LYS 37 HA LYS 37 2.372 10.788 6.637 235 HB2 LYS 37 1HB LYS 37 3.911 12.652 6.041 236 HB3 LYS 37 2HB LYS 37 4.046 12.142 7.719 237 HG2 LYS 37 1HG LYS 37 6.249 12.300 7.204 238 HG3 LYS 37 2HG LYS 37 5.970 10.624 6.724 239 HD2 LYS 37 1HD LYS 37 5.781 11.238 4.425 240 HD3 LYS 37 2HD LYS 37 5.767 12.957 4.826 241 HE2 LYS 37 1HE LYS 37 8.022 13.024 5.211 242 HE3 LYS 37 2HE LYS 37 8.101 11.329 5.690 243 HZ1 LYS 37 3HZ LYS 37 7.398 11.125 3.117 244 HZ2 LYS 37 1HZ LYS 37 8.997 11.075 3.667 245 HZ3 LYS 37 2HZ LYS 37 8.354 12.519 3.066 246 H SER 38 H SER 38 1.990 11.545 4.502 247 HA SER 38 HA SER 38 3.426 10.040 2.415 248 HB2 SER 38 1HB SER 38 1.295 9.876 1.178 249 HB3 SER 38 2HB SER 38 1.195 9.086 2.751 250 HG SER 38 HG SER 38 0.372 11.332 3.391 251 H GLY 39 H GLY 39 4.390 11.283 0.957 252 HA2 GLY 39 1HA GLY 39 3.134 13.719 0.014 253 HA3 GLY 39 2HA GLY 39 4.623 13.965 0.915 254 HA PRO 40 HA PRO 40 6.831 13.485 -2.851 255 HB2 PRO 40 1HB PRO 40 9.265 12.809 -1.856 256 HB3 PRO 40 2HB PRO 40 8.610 14.448 -1.761 257 HG2 PRO 40 1HG PRO 40 8.659 12.304 0.328 258 HG3 PRO 40 2HG PRO 40 9.000 14.037 0.494 259 HD2 PRO 40 1HD PRO 40 6.627 12.944 1.206 260 HD3 PRO 40 2HD PRO 40 6.766 14.597 0.574 261 H SER 41 H SER 41 7.025 11.886 -4.296 262 HA SER 41 HA SER 41 6.246 9.327 -4.003 263 HB2 SER 41 1HB SER 41 7.728 8.750 -5.950 264 HB3 SER 41 2HB SER 41 6.747 10.195 -6.194 265 HG SER 41 HG SER 41 9.044 10.343 -6.780 266 H SER 42 H SER 42 9.591 10.451 -3.575 267 HA SER 42 HA SER 42 10.644 7.915 -2.888 268 HB2 SER 42 1HB SER 42 11.711 10.655 -2.163 269 HB3 SER 42 2HB SER 42 12.622 9.145 -2.144 270 HG SER 42 HG SER 42 11.341 9.848 -4.518 271 H GLY 43 H GLY 43 10.971 6.929 -0.939 272 HA2 GLY 43 1HA GLY 43 11.134 7.553 1.566 273 HA3 GLY 43 2HA GLY 43 9.475 8.076 1.320 Start of MODEL 6 1 H1 GLY 1 H GLY 1 2.763 -27.956 -6.836 2 HA2 GLY 1 1HA GLY 1 1.416 -25.625 -6.900 3 HA3 GLY 1 2HA GLY 1 0.737 -26.473 -8.282 4 H SER 2 H SER 2 -1.202 -27.220 -7.758 5 HA SER 2 HA SER 2 -2.948 -27.949 -6.442 6 HB2 SER 2 1HB SER 2 -0.864 -30.059 -5.829 7 HB3 SER 2 2HB SER 2 -2.611 -30.253 -5.683 8 HG SER 2 HG SER 2 -1.603 -29.411 -8.143 9 H SER 3 H SER 3 -1.863 -25.915 -5.081 10 HA SER 3 HA SER 3 -1.190 -26.785 -2.389 11 HB2 SER 3 1HB SER 3 -0.971 -24.325 -1.949 12 HB3 SER 3 2HB SER 3 0.072 -24.914 -3.244 13 HG SER 3 HG SER 3 -0.833 -23.225 -4.194 14 H GLY 4 H GLY 4 -3.690 -24.776 -3.947 15 HA2 GLY 4 1HA GLY 4 -5.982 -24.806 -3.438 16 HA3 GLY 4 2HA GLY 4 -5.624 -25.720 -1.980 17 H SER 5 H SER 5 -5.207 -24.654 -0.076 18 HA SER 5 HA SER 5 -5.665 -21.746 -0.144 19 HB2 SER 5 1HB SER 5 -6.480 -23.878 1.800 20 HB3 SER 5 2HB SER 5 -6.282 -22.218 2.362 21 HG SER 5 HG SER 5 -8.147 -21.803 1.517 22 H SER 6 H SER 6 -4.084 -24.191 1.920 23 HA SER 6 HA SER 6 -2.361 -22.389 3.213 24 HB2 SER 6 1HB SER 6 -1.056 -24.436 3.828 25 HB3 SER 6 2HB SER 6 -2.780 -24.567 4.171 26 HG SER 6 HG SER 6 -1.891 -25.445 1.679 27 H GLY 7 H GLY 7 -0.516 -21.442 2.618 28 HA2 GLY 7 1HA GLY 7 1.690 -21.967 1.465 29 HA3 GLY 7 2HA GLY 7 0.686 -22.294 0.060 30 H ASN 8 H ASN 8 -1.126 -20.220 0.183 31 HA ASN 8 HA ASN 8 0.570 -17.819 0.021 32 HB2 ASN 8 1HB ASN 8 -0.937 -17.147 -1.936 33 HB3 ASN 8 2HB ASN 8 0.250 -18.411 -2.243 34 HD21 ASN 8 1HD2 ASN 8 -3.087 -18.081 -1.080 35 HD22 ASN 8 2HD2 ASN 8 -3.709 -19.423 -1.972 36 H GLY 9 H GLY 9 -0.979 -15.812 -0.294 37 HA2 GLY 9 1HA GLY 9 -3.242 -16.112 1.580 38 HA3 GLY 9 2HA GLY 9 -2.093 -14.791 1.735 39 H ALA 10 H ALA 10 -4.116 -13.512 1.598 40 HA ALA 10 HA ALA 10 -5.064 -13.203 -1.169 41 HB1 ALA 10 3HB ALA 10 -7.047 -13.342 -0.137 42 HB2 ALA 10 1HB ALA 10 -6.355 -12.988 1.447 43 HB3 ALA 10 2HB ALA 10 -6.746 -11.671 0.340 44 H PHE 11 H PHE 11 -3.808 -11.429 1.615 45 HA PHE 11 HA PHE 11 -2.830 -9.358 -0.178 46 HB2 PHE 11 1HB PHE 11 -4.821 -8.877 2.024 47 HB3 PHE 11 2HB PHE 11 -3.707 -7.611 1.519 48 HD1 PHE 11 2HD PHE 11 -3.844 -6.668 -0.742 49 HD2 PHE 11 1HD PHE 11 -6.671 -9.521 0.668 50 HE1 PHE 11 2HE PHE 11 -5.367 -6.060 -2.575 51 HE2 PHE 11 1HE PHE 11 -8.199 -8.917 -1.164 52 HZ PHE 11 HZ PHE 11 -7.548 -7.184 -2.788 53 H PHE 12 H PHE 12 -0.798 -8.905 0.331 54 HA PHE 12 HA PHE 12 0.110 -9.449 3.080 55 HB2 PHE 12 1HB PHE 12 1.638 -9.607 0.475 56 HB3 PHE 12 2HB PHE 12 2.370 -9.785 2.067 57 HD1 PHE 12 1HD PHE 12 -0.321 -11.222 -0.066 58 HD2 PHE 12 2HD PHE 12 2.549 -11.884 3.007 59 HE1 PHE 12 1HE PHE 12 -0.842 -13.627 -0.101 60 HE2 PHE 12 2HE PHE 12 2.033 -14.289 2.976 61 HZ PHE 12 HZ PHE 12 0.336 -15.164 1.420 62 H CYS 13 H CYS 13 0.845 -7.791 4.232 63 HA CYS 13 HA CYS 13 0.685 -5.148 3.428 64 HB2 CYS 13 1HB CYS 13 0.761 -5.767 5.774 65 HB3 CYS 13 2HB CYS 13 2.405 -6.371 5.594 66 H ASN 14 H ASN 14 2.371 -3.548 3.111 67 HA ASN 14 HA ASN 14 4.448 -4.563 1.344 68 HB2 ASN 14 1HB ASN 14 3.429 -1.786 1.944 69 HB3 ASN 14 2HB ASN 14 4.827 -2.085 0.916 70 HD21 ASN 14 1HD2 ASN 14 4.490 -3.436 -0.978 71 HD22 ASN 14 2HD2 ASN 14 2.959 -3.390 -1.777 72 H GLU 15 H GLU 15 4.251 -2.344 4.128 73 HA GLU 15 HA GLU 15 7.015 -2.052 4.493 74 HB2 GLU 15 1HB GLU 15 4.659 -1.727 6.334 75 HB3 GLU 15 2HB GLU 15 6.303 -1.486 6.907 76 HG2 GLU 15 1HG GLU 15 4.780 0.089 4.868 77 HG3 GLU 15 2HG GLU 15 5.542 0.647 6.356 78 H CYS 16 H CYS 16 4.751 -4.063 6.383 79 HA CYS 16 HA CYS 16 7.032 -5.774 7.119 80 HB2 CYS 16 1HB CYS 16 5.939 -6.306 9.142 81 HB3 CYS 16 2HB CYS 16 5.694 -4.574 8.941 82 H ASP 17 H ASP 17 6.199 -8.091 7.706 83 HA ASP 17 HA ASP 17 4.757 -9.050 5.341 84 HB2 ASP 17 1HB ASP 17 7.106 -9.896 6.147 85 HB3 ASP 17 2HB ASP 17 6.157 -10.864 7.271 86 H CYS 18 H CYS 18 2.665 -9.438 5.576 87 HA CYS 18 HA CYS 18 1.723 -10.936 7.879 88 HB2 CYS 18 1HB CYS 18 1.570 -8.328 8.230 89 HB3 CYS 18 2HB CYS 18 0.161 -8.480 7.186 90 HG CYS 18 HG CYS 18 0.453 -9.127 10.401 91 H ARG 19 H ARG 19 -0.801 -11.219 7.593 92 HA ARG 19 HA ARG 19 -1.404 -11.605 4.743 93 HB2 ARG 19 1HB ARG 19 -1.745 -13.642 6.949 94 HB3 ARG 19 2HB ARG 19 -2.454 -13.800 5.348 95 HG2 ARG 19 1HG ARG 19 -0.170 -13.715 4.385 96 HG3 ARG 19 2HG ARG 19 0.476 -13.715 6.027 97 HD2 ARG 19 1HD ARG 19 -0.135 -15.894 6.413 98 HD3 ARG 19 2HD ARG 19 -1.458 -15.841 5.249 99 HE ARG 19 HE ARG 19 0.681 -15.629 3.655 100 HH11 ARG 19 1HH1 ARG 19 -0.043 -17.805 6.274 101 HH12 ARG 19 2HH1 ARG 19 0.882 -19.114 5.615 102 HH21 ARG 19 1HH2 ARG 19 1.902 -17.344 2.777 103 HH22 ARG 19 2HH2 ARG 19 1.988 -18.850 3.626 104 H PHE 20 H PHE 20 -3.454 -11.135 4.147 105 HA PHE 20 HA PHE 20 -5.472 -10.736 6.234 106 HB2 PHE 20 1HB PHE 20 -4.953 -8.723 4.038 107 HB3 PHE 20 2HB PHE 20 -6.130 -8.587 5.341 108 HD1 PHE 20 2HD PHE 20 -4.941 -8.973 7.765 109 HD2 PHE 20 1HD PHE 20 -3.097 -7.414 4.260 110 HE1 PHE 20 2HE PHE 20 -3.266 -7.831 9.159 111 HE2 PHE 20 1HE PHE 20 -1.418 -6.271 5.648 112 HZ PHE 20 HZ PHE 20 -1.502 -6.477 8.101 113 H SER 21 H SER 21 -7.677 -10.307 5.187 114 HA SER 21 HA SER 21 -7.996 -12.237 3.000 115 HB2 SER 21 1HB SER 21 -9.298 -12.837 4.914 116 HB3 SER 21 2HB SER 21 -9.924 -11.197 5.082 117 HG SER 21 HG SER 21 -11.169 -11.486 3.288 118 H GLU 22 H GLU 22 -9.172 -9.050 4.055 119 HA GLU 22 HA GLU 22 -9.994 -8.501 1.288 120 HB2 GLU 22 1HB GLU 22 -10.858 -7.394 3.941 121 HB3 GLU 22 2HB GLU 22 -11.129 -6.479 2.465 122 HG2 GLU 22 1HG GLU 22 -12.190 -9.215 3.120 123 HG3 GLU 22 2HG GLU 22 -13.107 -7.715 2.999 124 H GLU 23 H GLU 23 -9.627 -6.283 0.487 125 HA GLU 23 HA GLU 23 -6.892 -5.553 0.797 126 HB2 GLU 23 1HB GLU 23 -7.256 -3.994 -0.926 127 HB3 GLU 23 2HB GLU 23 -8.340 -5.328 -1.298 128 HG2 GLU 23 1HG GLU 23 -10.069 -3.905 0.051 129 HG3 GLU 23 2HG GLU 23 -8.971 -2.582 -0.339 130 H ALA 24 H ALA 24 -9.918 -4.347 2.071 131 HA ALA 24 HA ALA 24 -9.051 -1.843 2.993 132 HB1 ALA 24 3HB ALA 24 -11.431 -3.129 2.956 133 HB2 ALA 24 1HB ALA 24 -11.029 -3.227 4.670 134 HB3 ALA 24 2HB ALA 24 -11.113 -1.656 3.872 135 H SER 25 H SER 25 -8.813 -5.060 4.387 136 HA SER 25 HA SER 25 -8.055 -4.305 6.991 137 HB2 SER 25 1HB SER 25 -7.746 -6.798 5.354 138 HB3 SER 25 2HB SER 25 -6.910 -6.665 6.901 139 HG SER 25 HG SER 25 -9.092 -7.602 6.935 140 H LEU 26 H LEU 26 -6.125 -5.083 4.116 141 HA LEU 26 HA LEU 26 -3.599 -4.818 5.320 142 HB2 LEU 26 1HB LEU 26 -4.202 -5.823 3.056 143 HB3 LEU 26 2HB LEU 26 -4.197 -4.168 2.448 144 HG LEU 26 HG LEU 26 -1.847 -5.651 3.626 145 HD11 LEU 26 1HD1 LEU 26 -1.985 -6.505 1.513 146 HD12 LEU 26 2HD1 LEU 26 -1.043 -5.050 1.192 147 HD13 LEU 26 3HD1 LEU 26 -2.775 -5.069 0.861 148 HD21 LEU 26 3HD2 LEU 26 -1.610 -3.369 4.233 149 HD22 LEU 26 1HD2 LEU 26 -2.146 -2.820 2.645 150 HD23 LEU 26 2HD2 LEU 26 -0.587 -3.626 2.819 151 H LYS 27 H LYS 27 -5.095 -2.526 3.032 152 HA LYS 27 HA LYS 27 -3.438 -0.398 3.318 153 HB2 LYS 27 1HB LYS 27 -6.355 -0.640 2.784 154 HB3 LYS 27 2HB LYS 27 -5.730 0.965 3.140 155 HG2 LYS 27 1HG LYS 27 -5.514 0.961 0.878 156 HG3 LYS 27 2HG LYS 27 -3.941 0.295 1.322 157 HD2 LYS 27 1HD LYS 27 -4.565 -1.239 -0.249 158 HD3 LYS 27 2HD LYS 27 -5.281 -1.987 1.181 159 HE2 LYS 27 1HE LYS 27 -6.682 -0.251 -0.849 160 HE3 LYS 27 2HE LYS 27 -6.882 -1.989 -0.629 161 HZ1 LYS 27 3HZ LYS 27 -7.733 -1.529 1.616 162 HZ2 LYS 27 1HZ LYS 27 -8.690 -0.828 0.410 163 HZ3 LYS 27 2HZ LYS 27 -7.628 0.132 1.311 164 H ARG 28 H ARG 28 -6.206 -1.137 5.423 165 HA ARG 28 HA ARG 28 -5.895 1.077 7.135 166 HB2 ARG 28 1HB ARG 28 -7.878 -0.575 6.890 167 HB3 ARG 28 2HB ARG 28 -7.003 -1.559 8.055 168 HG2 ARG 28 1HG ARG 28 -8.535 -0.307 9.311 169 HG3 ARG 28 2HG ARG 28 -6.977 0.485 9.551 170 HD2 ARG 28 1HD ARG 28 -7.598 2.088 7.743 171 HD3 ARG 28 2HD ARG 28 -9.200 1.351 7.708 172 HE ARG 28 HE ARG 28 -8.607 2.131 10.339 173 HH11 ARG 28 1HH1 ARG 28 -9.315 3.520 7.226 174 HH12 ARG 28 2HH1 ARG 28 -10.022 4.959 7.884 175 HH21 ARG 28 1HH2 ARG 28 -9.536 4.020 11.217 176 HH22 ARG 28 2HH2 ARG 28 -10.146 5.242 10.154 177 H HIS 29 H HIS 29 -4.816 -2.298 7.479 178 HA HIS 29 HA HIS 29 -3.612 -2.169 9.946 179 HB2 HIS 29 1HB HIS 29 -3.604 -4.305 9.083 180 HB3 HIS 29 2HB HIS 29 -3.095 -3.773 7.484 181 HD1 HIS 29 1HD HIS 29 -1.832 -5.216 10.585 182 HD2 HIS 29 2HD HIS 29 -0.251 -3.135 7.355 183 HE1 HIS 29 1HE HIS 29 0.652 -5.597 10.691 184 H THR 30 H THR 30 -2.295 -1.168 6.824 185 HA THR 30 HA THR 30 0.315 -0.580 7.730 186 HB THR 30 HB THR 30 -1.181 0.620 5.390 187 HG1 THR 30 1HG THR 30 -0.994 -1.420 4.777 188 HG21 THR 30 3HG2 THR 30 1.119 1.575 6.432 189 HG22 THR 30 1HG2 THR 30 0.729 1.631 4.713 190 HG23 THR 30 2HG2 THR 30 1.757 0.344 5.343 191 H LEU 31 H LEU 31 -2.550 1.474 7.274 192 HA LEU 31 HA LEU 31 -1.353 3.896 8.038 193 HB2 LEU 31 1HB LEU 31 -3.397 4.059 6.920 194 HB3 LEU 31 2HB LEU 31 -4.180 2.906 7.999 195 HG LEU 31 HG LEU 31 -3.749 4.792 9.787 196 HD11 LEU 31 1HD1 LEU 31 -2.548 6.096 7.858 197 HD12 LEU 31 2HD1 LEU 31 -3.552 6.946 9.032 198 HD13 LEU 31 3HD1 LEU 31 -4.195 6.564 7.435 199 HD21 LEU 31 3HD2 LEU 31 -5.923 4.721 7.710 200 HD22 LEU 31 1HD2 LEU 31 -5.977 5.779 9.120 201 HD23 LEU 31 2HD2 LEU 31 -5.939 4.029 9.332 202 H GLN 32 H GLN 32 -3.046 1.423 9.917 203 HA GLN 32 HA GLN 32 -2.795 2.891 12.381 204 HB2 GLN 32 1HB GLN 32 -4.669 1.288 11.844 205 HB3 GLN 32 2HB GLN 32 -3.511 -0.021 12.038 206 HG2 GLN 32 1HG GLN 32 -4.904 0.372 14.035 207 HG3 GLN 32 2HG GLN 32 -3.175 0.532 14.341 208 HE21 GLN 32 1HE2 GLN 32 -3.723 1.739 16.217 209 HE22 GLN 32 2HE2 GLN 32 -4.165 3.405 16.094 210 H THR 33 H THR 33 -1.594 -0.330 11.422 211 HA THR 33 HA THR 33 0.225 -0.684 13.465 212 HB THR 33 HB THR 33 0.639 -1.622 10.621 213 HG1 THR 33 1HG THR 33 -0.920 -2.711 12.743 214 HG21 THR 33 3HG2 THR 33 1.444 -3.011 13.165 215 HG22 THR 33 1HG2 THR 33 2.506 -1.864 12.350 216 HG23 THR 33 2HG2 THR 33 1.989 -3.331 11.519 217 H HIS 34 H HIS 34 0.791 0.799 10.283 218 HA HIS 34 HA HIS 34 3.386 1.773 11.263 219 HB2 HIS 34 1HB HIS 34 2.453 1.813 8.396 220 HB3 HIS 34 2HB HIS 34 4.099 1.951 9.006 221 HD1 HIS 34 1HD HIS 34 4.407 -0.468 10.737 222 HD2 HIS 34 2HD HIS 34 2.366 -0.564 7.120 223 HE1 HIS 34 1HE HIS 34 4.447 -2.874 10.007 224 H SER 35 H SER 35 3.497 3.818 11.882 225 HA SER 35 HA SER 35 2.089 5.886 10.414 226 HB2 SER 35 1HB SER 35 0.897 6.789 12.292 227 HB3 SER 35 2HB SER 35 0.493 5.075 12.194 228 HG SER 35 HG SER 35 1.078 5.106 14.220 229 H ASP 36 H ASP 36 3.214 7.745 10.361 230 HA ASP 36 HA ASP 36 5.401 8.097 12.300 231 HB2 ASP 36 1HB ASP 36 6.763 9.063 10.435 232 HB3 ASP 36 2HB ASP 36 6.436 7.341 10.264 233 H LYS 37 H LYS 37 6.330 10.459 11.941 234 HA LYS 37 HA LYS 37 4.143 12.353 11.496 235 HB2 LYS 37 1HB LYS 37 4.429 13.452 13.585 236 HB3 LYS 37 2HB LYS 37 4.275 11.737 13.943 237 HG2 LYS 37 1HG LYS 37 6.034 12.257 15.285 238 HG3 LYS 37 2HG LYS 37 6.907 11.825 13.813 239 HD2 LYS 37 1HD LYS 37 7.914 13.822 14.305 240 HD3 LYS 37 2HD LYS 37 6.592 14.389 13.281 241 HE2 LYS 37 1HE LYS 37 6.316 14.196 16.265 242 HE3 LYS 37 2HE LYS 37 7.008 15.619 15.489 243 HZ1 LYS 37 3HZ LYS 37 4.874 16.277 15.456 244 HZ2 LYS 37 1HZ LYS 37 4.257 14.705 15.566 245 HZ3 LYS 37 2HZ LYS 37 4.775 15.307 14.073 246 H SER 38 H SER 38 4.773 14.299 10.678 247 HA SER 38 HA SER 38 7.601 15.006 10.659 248 HB2 SER 38 1HB SER 38 7.251 13.624 8.626 249 HB3 SER 38 2HB SER 38 6.004 14.753 8.098 250 HG SER 38 HG SER 38 7.706 16.394 8.232 251 H GLY 39 H GLY 39 7.675 17.040 11.329 252 HA2 GLY 39 1HA GLY 39 5.389 18.762 11.243 253 HA3 GLY 39 2HA GLY 39 6.994 19.189 11.817 254 HA PRO 40 HA PRO 40 7.434 21.737 8.266 255 HB2 PRO 40 1HB PRO 40 10.142 21.910 8.184 256 HB3 PRO 40 2HB PRO 40 9.162 22.752 9.390 257 HG2 PRO 40 1HG PRO 40 10.681 20.185 9.640 258 HG3 PRO 40 2HG PRO 40 10.564 21.532 10.787 259 HD2 PRO 40 1HD PRO 40 9.120 19.258 11.060 260 HD3 PRO 40 2HD PRO 40 8.514 20.843 11.583 261 H SER 41 H SER 41 9.029 18.634 8.472 262 HA SER 41 HA SER 41 9.680 18.619 5.637 263 HB2 SER 41 1HB SER 41 11.115 17.603 7.547 264 HB3 SER 41 2HB SER 41 9.976 16.258 7.477 265 HG SER 41 HG SER 41 11.437 15.657 6.026 266 H SER 42 H SER 42 9.127 16.505 4.450 267 HA SER 42 HA SER 42 7.507 15.287 3.413 268 HB2 SER 42 1HB SER 42 7.708 14.236 5.820 269 HB3 SER 42 2HB SER 42 6.090 14.907 6.025 270 HG SER 42 HG SER 42 6.684 12.646 4.905 271 H GLY 43 H GLY 43 7.078 18.025 3.336 272 HA2 GLY 43 1HA GLY 43 5.194 19.067 2.269 273 HA3 GLY 43 2HA GLY 43 4.135 18.095 3.280 Start of MODEL 7 1 H1 GLY 1 H GLY 1 6.053 -22.917 -9.346 2 HA2 GLY 1 1HA GLY 1 5.076 -22.770 -11.851 3 HA3 GLY 1 2HA GLY 1 5.281 -24.503 -11.645 4 H SER 2 H SER 2 3.122 -22.030 -11.389 5 HA SER 2 HA SER 2 1.167 -23.671 -10.110 6 HB2 SER 2 1HB SER 2 2.420 -21.408 -8.587 7 HB3 SER 2 2HB SER 2 0.727 -21.820 -8.318 8 HG SER 2 HG SER 2 3.008 -23.453 -7.937 9 H SER 3 H SER 3 -0.883 -22.228 -9.655 10 HA SER 3 HA SER 3 -1.104 -20.122 -11.683 11 HB2 SER 3 1HB SER 3 -2.662 -22.675 -11.555 12 HB3 SER 3 2HB SER 3 -3.463 -21.214 -12.134 13 HG SER 3 HG SER 3 -1.732 -21.021 -13.667 14 H GLY 4 H GLY 4 -1.829 -18.359 -10.706 15 HA2 GLY 4 1HA GLY 4 -3.203 -16.992 -9.453 16 HA3 GLY 4 2HA GLY 4 -4.204 -18.394 -9.107 17 H SER 5 H SER 5 -3.555 -16.366 -7.241 18 HA SER 5 HA SER 5 -1.411 -17.053 -5.551 19 HB2 SER 5 1HB SER 5 -2.553 -15.664 -3.863 20 HB3 SER 5 2HB SER 5 -2.525 -14.870 -5.438 21 HG SER 5 HG SER 5 -4.689 -15.710 -5.730 22 H SER 6 H SER 6 -1.201 -18.468 -3.907 23 HA SER 6 HA SER 6 -2.698 -20.775 -3.764 24 HB2 SER 6 1HB SER 6 -0.431 -20.440 -2.762 25 HB3 SER 6 2HB SER 6 -1.189 -19.542 -1.448 26 HG SER 6 HG SER 6 -1.118 -21.555 -0.671 27 H GLY 7 H GLY 7 -2.854 -18.042 -1.470 28 HA2 GLY 7 1HA GLY 7 -5.300 -19.095 -0.318 29 HA3 GLY 7 2HA GLY 7 -4.443 -17.647 0.191 30 H ASN 8 H ASN 8 -6.866 -17.059 0.264 31 HA ASN 8 HA ASN 8 -8.020 -16.372 -2.297 32 HB2 ASN 8 1HB ASN 8 -9.978 -15.870 -1.140 33 HB3 ASN 8 2HB ASN 8 -9.264 -17.130 -0.139 34 HD21 ASN 8 1HD2 ASN 8 -8.774 -16.695 1.924 35 HD22 ASN 8 2HD2 ASN 8 -8.952 -15.148 2.672 36 H GLY 9 H GLY 9 -6.730 -14.642 0.525 37 HA2 GLY 9 1HA GLY 9 -6.880 -12.125 -0.975 38 HA3 GLY 9 2HA GLY 9 -6.593 -12.279 0.751 39 H ALA 10 H ALA 10 -5.166 -12.270 -2.408 40 HA ALA 10 HA ALA 10 -2.519 -12.939 -1.476 41 HB1 ALA 10 3HB ALA 10 -3.571 -13.333 -3.827 42 HB2 ALA 10 1HB ALA 10 -3.041 -11.678 -4.131 43 HB3 ALA 10 2HB ALA 10 -1.864 -12.914 -3.685 44 H PHE 11 H PHE 11 -3.576 -10.786 -0.041 45 HA PHE 11 HA PHE 11 -2.081 -8.472 -1.071 46 HB2 PHE 11 1HB PHE 11 -4.066 -8.393 1.194 47 HB3 PHE 11 2HB PHE 11 -3.494 -7.062 0.194 48 HD1 PHE 11 2HD PHE 11 -3.901 -7.700 -2.473 49 HD2 PHE 11 1HD PHE 11 -6.267 -8.895 0.858 50 HE1 PHE 11 2HE PHE 11 -5.843 -7.980 -3.957 51 HE2 PHE 11 1HE PHE 11 -8.213 -9.178 -0.621 52 HZ PHE 11 HZ PHE 11 -8.003 -8.719 -3.032 53 H PHE 12 H PHE 12 -0.027 -8.880 -0.364 54 HA PHE 12 HA PHE 12 0.361 -9.375 2.504 55 HB2 PHE 12 1HB PHE 12 1.969 -9.957 0.061 56 HB3 PHE 12 2HB PHE 12 2.832 -9.672 1.569 57 HD1 PHE 12 2HD PHE 12 2.293 -11.115 3.560 58 HD2 PHE 12 1HD PHE 12 0.932 -12.009 -0.373 59 HE1 PHE 12 2HE PHE 12 1.882 -13.445 4.236 60 HE2 PHE 12 1HE PHE 12 0.519 -14.340 0.297 61 HZ PHE 12 HZ PHE 12 0.995 -15.061 2.603 62 H CYS 13 H CYS 13 1.147 -7.843 3.801 63 HA CYS 13 HA CYS 13 1.478 -5.186 2.906 64 HB2 CYS 13 1HB CYS 13 0.755 -5.669 5.177 65 HB3 CYS 13 2HB CYS 13 2.277 -6.487 5.517 66 H ASN 14 H ASN 14 3.172 -4.205 2.029 67 HA ASN 14 HA ASN 14 5.581 -5.554 1.461 68 HB2 ASN 14 1HB ASN 14 6.374 -3.193 0.829 69 HB3 ASN 14 2HB ASN 14 4.986 -3.841 -0.042 70 HD21 ASN 14 1HD2 ASN 14 3.042 -2.854 0.126 71 HD22 ASN 14 2HD2 ASN 14 2.773 -1.396 1.014 72 H GLU 15 H GLU 15 4.806 -3.010 3.817 73 HA GLU 15 HA GLU 15 7.336 -2.596 4.867 74 HB2 GLU 15 1HB GLU 15 4.671 -2.533 6.294 75 HB3 GLU 15 2HB GLU 15 6.167 -1.873 6.940 76 HG2 GLU 15 1HG GLU 15 5.030 -0.967 4.318 77 HG3 GLU 15 2HG GLU 15 4.543 -0.252 5.854 78 H CYS 16 H CYS 16 4.830 -4.639 6.378 79 HA CYS 16 HA CYS 16 6.993 -6.374 7.379 80 HB2 CYS 16 1HB CYS 16 5.788 -6.717 9.417 81 HB3 CYS 16 2HB CYS 16 5.857 -4.979 9.142 82 H ASP 17 H ASP 17 6.261 -8.611 7.888 83 HA ASP 17 HA ASP 17 4.739 -9.641 5.659 84 HB2 ASP 17 1HB ASP 17 5.306 -11.876 6.840 85 HB3 ASP 17 2HB ASP 17 6.618 -10.952 6.113 86 H CYS 18 H CYS 18 2.590 -9.325 5.866 87 HA CYS 18 HA CYS 18 1.237 -10.758 8.002 88 HB2 CYS 18 1HB CYS 18 1.107 -7.787 7.629 89 HB3 CYS 18 2HB CYS 18 -0.313 -8.650 8.208 90 HG CYS 18 HG CYS 18 0.421 -8.376 10.649 91 H ARG 19 H ARG 19 -0.431 -11.852 7.200 92 HA ARG 19 HA ARG 19 -1.301 -11.281 4.478 93 HB2 ARG 19 1HB ARG 19 -0.680 -13.616 5.450 94 HB3 ARG 19 2HB ARG 19 -2.298 -13.573 6.137 95 HG2 ARG 19 1HG ARG 19 -1.998 -12.990 3.242 96 HG3 ARG 19 2HG ARG 19 -1.808 -14.659 3.785 97 HD2 ARG 19 1HD ARG 19 -4.149 -13.087 4.749 98 HD3 ARG 19 2HD ARG 19 -4.163 -13.705 3.098 99 HE ARG 19 HE ARG 19 -4.394 -15.234 5.531 100 HH11 ARG 19 1HH1 ARG 19 -3.617 -15.303 2.138 101 HH12 ARG 19 2HH1 ARG 19 -3.943 -16.996 1.965 102 HH21 ARG 19 1HH2 ARG 19 -4.827 -17.463 5.315 103 HH22 ARG 19 2HH2 ARG 19 -4.632 -18.223 3.772 104 H PHE 20 H PHE 20 -3.467 -10.976 3.890 105 HA PHE 20 HA PHE 20 -5.357 -10.442 6.070 106 HB2 PHE 20 1HB PHE 20 -4.999 -8.586 3.712 107 HB3 PHE 20 2HB PHE 20 -6.036 -8.342 5.114 108 HD1 PHE 20 2HD PHE 20 -4.939 -8.046 7.376 109 HD2 PHE 20 1HD PHE 20 -2.788 -7.847 3.709 110 HE1 PHE 20 2HE PHE 20 -3.116 -6.848 8.514 111 HE2 PHE 20 1HE PHE 20 -0.961 -6.649 4.841 112 HZ PHE 20 HZ PHE 20 -1.124 -6.147 7.247 113 H SER 21 H SER 21 -7.565 -10.603 5.496 114 HA SER 21 HA SER 21 -8.036 -12.466 3.330 115 HB2 SER 21 1HB SER 21 -9.106 -12.880 5.486 116 HB3 SER 21 2HB SER 21 -9.916 -11.315 5.407 117 HG SER 21 HG SER 21 -10.258 -13.233 3.369 118 H GLU 22 H GLU 22 -8.947 -9.169 4.207 119 HA GLU 22 HA GLU 22 -9.839 -8.764 1.433 120 HB2 GLU 22 1HB GLU 22 -11.773 -8.934 3.016 121 HB3 GLU 22 2HB GLU 22 -11.149 -7.521 3.855 122 HG2 GLU 22 1HG GLU 22 -12.988 -7.049 2.250 123 HG3 GLU 22 2HG GLU 22 -11.509 -6.133 1.962 124 H GLU 23 H GLU 23 -9.284 -6.832 0.491 125 HA GLU 23 HA GLU 23 -6.970 -5.565 1.130 126 HB2 GLU 23 1HB GLU 23 -7.709 -3.684 -0.260 127 HB3 GLU 23 2HB GLU 23 -8.126 -5.226 -0.994 128 HG2 GLU 23 1HG GLU 23 -10.424 -4.956 -0.043 129 HG3 GLU 23 2HG GLU 23 -9.962 -3.323 0.434 130 H ALA 24 H ALA 24 -10.218 -4.608 2.186 131 HA ALA 24 HA ALA 24 -9.851 -2.250 3.427 132 HB1 ALA 24 3HB ALA 24 -11.228 -4.078 5.224 133 HB2 ALA 24 1HB ALA 24 -11.831 -2.657 4.371 134 HB3 ALA 24 2HB ALA 24 -11.769 -4.218 3.552 135 H SER 25 H SER 25 -9.203 -5.372 5.033 136 HA SER 25 HA SER 25 -8.149 -4.369 7.394 137 HB2 SER 25 1HB SER 25 -8.709 -6.812 6.710 138 HB3 SER 25 2HB SER 25 -7.044 -6.865 6.133 139 HG SER 25 HG SER 25 -7.907 -6.264 8.770 140 H LEU 26 H LEU 26 -6.503 -5.119 4.348 141 HA LEU 26 HA LEU 26 -3.882 -4.624 5.197 142 HB2 LEU 26 1HB LEU 26 -4.281 -5.738 3.124 143 HB3 LEU 26 2HB LEU 26 -5.183 -4.361 2.495 144 HG LEU 26 HG LEU 26 -3.001 -3.063 2.625 145 HD11 LEU 26 1HD1 LEU 26 -0.975 -4.559 2.458 146 HD12 LEU 26 2HD1 LEU 26 -1.985 -5.852 3.105 147 HD13 LEU 26 3HD1 LEU 26 -1.690 -4.401 4.062 148 HD21 LEU 26 3HD2 LEU 26 -2.932 -3.426 0.435 149 HD22 LEU 26 1HD2 LEU 26 -4.074 -4.750 0.668 150 HD23 LEU 26 2HD2 LEU 26 -2.340 -5.070 0.674 151 H LYS 27 H LYS 27 -5.993 -2.456 3.303 152 HA LYS 27 HA LYS 27 -4.495 -0.196 3.243 153 HB2 LYS 27 1HB LYS 27 -7.469 -0.446 3.700 154 HB3 LYS 27 2HB LYS 27 -6.672 1.083 3.354 155 HG2 LYS 27 1HG LYS 27 -5.771 -0.095 1.258 156 HG3 LYS 27 2HG LYS 27 -7.021 -1.300 1.576 157 HD2 LYS 27 1HD LYS 27 -8.714 0.498 1.550 158 HD3 LYS 27 2HD LYS 27 -7.446 1.658 1.145 159 HE2 LYS 27 1HE LYS 27 -6.952 0.242 -0.876 160 HE3 LYS 27 2HE LYS 27 -8.414 -0.670 -0.504 161 HZ1 LYS 27 3HZ LYS 27 -8.878 1.032 -2.127 162 HZ2 LYS 27 1HZ LYS 27 -8.270 2.235 -1.104 163 HZ3 LYS 27 2HZ LYS 27 -9.679 1.400 -0.684 164 H ARG 28 H ARG 28 -6.906 -0.799 5.808 165 HA ARG 28 HA ARG 28 -6.129 1.306 7.465 166 HB2 ARG 28 1HB ARG 28 -8.209 -0.236 7.577 167 HB3 ARG 28 2HB ARG 28 -7.192 -1.281 8.559 168 HG2 ARG 28 1HG ARG 28 -6.898 0.456 10.196 169 HG3 ARG 28 2HG ARG 28 -7.769 1.606 9.181 170 HD2 ARG 28 1HD ARG 28 -9.374 0.934 10.722 171 HD3 ARG 28 2HD ARG 28 -9.712 -0.078 9.318 172 HE ARG 28 HE ARG 28 -8.700 -0.937 11.889 173 HH11 ARG 28 1HH1 ARG 28 -9.173 -1.724 8.531 174 HH12 ARG 28 2HH1 ARG 28 -9.079 -3.435 8.784 175 HH21 ARG 28 1HH2 ARG 28 -8.574 -3.188 12.235 176 HH22 ARG 28 2HH2 ARG 28 -8.739 -4.267 10.892 177 H HIS 29 H HIS 29 -5.195 -2.127 7.614 178 HA HIS 29 HA HIS 29 -3.611 -2.208 9.807 179 HB2 HIS 29 1HB HIS 29 -3.760 -4.233 8.682 180 HB3 HIS 29 2HB HIS 29 -3.353 -3.516 7.126 181 HD1 HIS 29 1HD HIS 29 -1.873 -5.193 10.049 182 HD2 HIS 29 2HD HIS 29 -0.545 -3.018 6.767 183 HE1 HIS 29 1HE HIS 29 0.599 -5.631 9.908 184 H THR 30 H THR 30 -2.845 -0.682 6.745 185 HA THR 30 HA THR 30 -0.096 -0.204 7.306 186 HB THR 30 HB THR 30 -1.912 1.262 5.382 187 HG1 THR 30 1HG THR 30 -1.391 -0.284 3.941 188 HG21 THR 30 3HG2 THR 30 0.171 2.470 5.912 189 HG22 THR 30 1HG2 THR 30 0.140 1.905 4.243 190 HG23 THR 30 2HG2 THR 30 1.100 1.046 5.447 191 H LEU 31 H LEU 31 -2.950 1.935 7.351 192 HA LEU 31 HA LEU 31 -1.558 4.148 8.452 193 HB2 LEU 31 1HB LEU 31 -4.392 3.432 7.947 194 HB3 LEU 31 2HB LEU 31 -4.075 4.718 9.111 195 HG LEU 31 HG LEU 31 -2.971 4.768 6.313 196 HD11 LEU 31 1HD1 LEU 31 -5.584 4.657 6.629 197 HD12 LEU 31 2HD1 LEU 31 -4.844 5.775 5.484 198 HD13 LEU 31 3HD1 LEU 31 -5.371 6.353 7.064 199 HD21 LEU 31 3HD2 LEU 31 -3.569 7.299 7.514 200 HD22 LEU 31 1HD2 LEU 31 -2.021 6.667 6.954 201 HD23 LEU 31 2HD2 LEU 31 -2.561 6.345 8.602 202 H GLN 32 H GLN 32 -2.710 1.261 9.815 203 HA GLN 32 HA GLN 32 -3.327 2.188 12.429 204 HB2 GLN 32 1HB GLN 32 -4.129 0.030 11.579 205 HB3 GLN 32 2HB GLN 32 -2.475 -0.560 11.499 206 HG2 GLN 32 1HG GLN 32 -3.511 -1.448 13.456 207 HG3 GLN 32 2HG GLN 32 -2.301 -0.266 13.950 208 HE21 GLN 32 1HE2 GLN 32 -5.757 -0.600 13.277 209 HE22 GLN 32 2HE2 GLN 32 -6.279 0.530 14.475 210 H THR 33 H THR 33 -0.515 0.319 11.269 211 HA THR 33 HA THR 33 1.048 1.477 13.480 212 HB THR 33 HB THR 33 1.078 -0.867 13.737 213 HG1 THR 33 1HG THR 33 3.428 -0.205 12.261 214 HG21 THR 33 3HG2 THR 33 1.778 -2.369 11.826 215 HG22 THR 33 1HG2 THR 33 1.545 -0.983 10.762 216 HG23 THR 33 2HG2 THR 33 0.183 -1.634 11.674 217 H HIS 34 H HIS 34 1.073 0.761 10.025 218 HA HIS 34 HA HIS 34 3.641 2.067 9.664 219 HB2 HIS 34 1HB HIS 34 1.775 1.034 7.525 220 HB3 HIS 34 2HB HIS 34 3.495 1.378 7.370 221 HD1 HIS 34 1HD HIS 34 5.119 -0.285 8.703 222 HD2 HIS 34 2HD HIS 34 1.170 -1.514 8.312 223 HE1 HIS 34 1HE HIS 34 5.127 -2.746 9.217 224 H SER 35 H SER 35 2.698 4.104 10.578 225 HA SER 35 HA SER 35 1.705 5.755 8.373 226 HB2 SER 35 1HB SER 35 -0.214 5.038 9.868 227 HB3 SER 35 2HB SER 35 0.547 5.970 11.157 228 HG SER 35 HG SER 35 0.164 7.818 10.067 229 H ASP 36 H ASP 36 1.789 8.146 9.037 230 HA ASP 36 HA ASP 36 4.173 8.617 10.705 231 HB2 ASP 36 1HB ASP 36 4.942 10.294 9.170 232 HB3 ASP 36 2HB ASP 36 4.611 8.834 8.242 233 H LYS 37 H LYS 37 1.648 8.725 11.788 234 HA LYS 37 HA LYS 37 1.332 11.613 12.252 235 HB2 LYS 37 1HB LYS 37 -0.739 9.578 11.579 236 HB3 LYS 37 2HB LYS 37 -1.167 10.839 12.728 237 HG2 LYS 37 1HG LYS 37 -1.841 11.772 10.745 238 HG3 LYS 37 2HG LYS 37 -0.215 12.439 10.909 239 HD2 LYS 37 1HD LYS 37 -0.113 11.712 8.745 240 HD3 LYS 37 2HD LYS 37 0.427 10.248 9.570 241 HE2 LYS 37 1HE LYS 37 -1.917 9.428 9.526 242 HE3 LYS 37 2HE LYS 37 -2.358 10.847 8.578 243 HZ1 LYS 37 3HZ LYS 37 -1.575 8.490 7.544 244 HZ2 LYS 37 1HZ LYS 37 -0.125 9.361 7.518 245 HZ3 LYS 37 2HZ LYS 37 -1.492 9.971 6.729 246 H SER 38 H SER 38 2.941 9.907 13.777 247 HA SER 38 HA SER 38 1.970 10.427 16.376 248 HB2 SER 38 1HB SER 38 0.518 8.494 15.902 249 HB3 SER 38 2HB SER 38 1.941 7.512 15.552 250 HG SER 38 HG SER 38 2.442 7.454 17.643 251 H GLY 39 H GLY 39 3.485 9.809 18.045 252 HA2 GLY 39 1HA GLY 39 6.119 8.994 16.987 253 HA3 GLY 39 2HA GLY 39 5.955 10.372 18.066 254 HA PRO 40 HA PRO 40 6.707 7.649 21.430 255 HB2 PRO 40 1HB PRO 40 5.626 9.123 23.437 256 HB3 PRO 40 2HB PRO 40 7.160 9.534 22.663 257 HG2 PRO 40 1HG PRO 40 4.432 10.666 22.179 258 HG3 PRO 40 2HG PRO 40 5.986 11.510 22.309 259 HD2 PRO 40 1HD PRO 40 4.820 10.962 19.927 260 HD3 PRO 40 2HD PRO 40 6.582 11.009 20.140 261 H SER 41 H SER 41 3.558 8.559 20.429 262 HA SER 41 HA SER 41 2.109 7.046 22.389 263 HB2 SER 41 1HB SER 41 1.339 8.376 19.796 264 HB3 SER 41 2HB SER 41 0.193 7.398 20.713 265 HG SER 41 HG SER 41 0.099 9.637 21.249 266 H SER 42 H SER 42 2.005 4.911 22.447 267 HA SER 42 HA SER 42 2.261 3.417 19.919 268 HB2 SER 42 1HB SER 42 4.144 2.863 21.253 269 HB3 SER 42 2HB SER 42 3.168 2.736 22.716 270 HG SER 42 HG SER 42 3.649 0.678 21.921 271 H GLY 43 H GLY 43 -0.038 3.621 19.611 272 HA2 GLY 43 1HA GLY 43 -2.271 3.089 19.994 273 HA3 GLY 43 2HA GLY 43 -1.576 1.475 20.035 Start of MODEL 8 1 H1 GLY 1 H GLY 1 0.708 -28.479 5.377 2 HA2 GLY 1 1HA GLY 1 -0.371 -27.118 3.475 3 HA3 GLY 1 2HA GLY 1 -0.829 -28.705 2.875 4 H SER 2 H SER 2 -2.666 -26.666 3.498 5 HA SER 2 HA SER 2 -3.855 -27.457 6.047 6 HB2 SER 2 1HB SER 2 -4.730 -25.308 4.102 7 HB3 SER 2 2HB SER 2 -5.360 -25.560 5.730 8 HG SER 2 HG SER 2 -2.975 -24.417 4.900 9 H SER 3 H SER 3 -6.131 -27.999 6.168 10 HA SER 3 HA SER 3 -7.003 -29.516 3.802 11 HB2 SER 3 1HB SER 3 -6.570 -30.565 6.198 12 HB3 SER 3 2HB SER 3 -8.206 -29.976 6.498 13 HG SER 3 HG SER 3 -8.755 -31.782 5.566 14 H GLY 4 H GLY 4 -8.157 -27.968 2.699 15 HA2 GLY 4 1HA GLY 4 -10.282 -27.118 2.175 16 HA3 GLY 4 2HA GLY 4 -10.745 -27.295 3.861 17 H SER 5 H SER 5 -8.258 -25.498 2.038 18 HA SER 5 HA SER 5 -9.014 -23.110 3.593 19 HB2 SER 5 1HB SER 5 -6.708 -22.335 3.366 20 HB3 SER 5 2HB SER 5 -6.736 -23.936 4.105 21 HG SER 5 HG SER 5 -6.546 -24.523 1.655 22 H SER 6 H SER 6 -8.144 -21.054 2.361 23 HA SER 6 HA SER 6 -8.798 -21.295 -0.496 24 HB2 SER 6 1HB SER 6 -9.930 -19.280 1.456 25 HB3 SER 6 2HB SER 6 -10.062 -19.127 -0.296 26 HG SER 6 HG SER 6 -11.323 -20.935 -0.358 27 H GLY 7 H GLY 7 -6.599 -21.099 -1.004 28 HA2 GLY 7 1HA GLY 7 -4.704 -19.947 -1.595 29 HA3 GLY 7 2HA GLY 7 -5.667 -18.485 -1.442 30 H ASN 8 H ASN 8 -2.906 -18.771 -0.756 31 HA ASN 8 HA ASN 8 -2.712 -18.968 2.108 32 HB2 ASN 8 1HB ASN 8 -0.745 -18.113 -0.020 33 HB3 ASN 8 2HB ASN 8 -0.351 -18.164 1.696 34 HD21 ASN 8 1HD2 ASN 8 -1.225 -20.376 2.676 35 HD22 ASN 8 2HD2 ASN 8 -0.660 -21.770 1.826 36 H GLY 9 H GLY 9 -2.604 -16.349 -0.286 37 HA2 GLY 9 1HA GLY 9 -3.805 -14.473 1.453 38 HA3 GLY 9 2HA GLY 9 -2.065 -14.230 1.449 39 H ALA 10 H ALA 10 -4.483 -12.695 0.374 40 HA ALA 10 HA ALA 10 -3.723 -12.520 -2.451 41 HB1 ALA 10 3HB ALA 10 -6.092 -11.432 -0.944 42 HB2 ALA 10 1HB ALA 10 -5.761 -11.083 -2.641 43 HB3 ALA 10 2HB ALA 10 -6.076 -12.741 -2.126 44 H PHE 11 H PHE 11 -4.133 -10.478 0.424 45 HA PHE 11 HA PHE 11 -2.434 -8.454 -0.880 46 HB2 PHE 11 1HB PHE 11 -4.647 -8.065 1.144 47 HB3 PHE 11 2HB PHE 11 -3.562 -6.789 0.603 48 HD1 PHE 11 1HD PHE 11 -6.327 -8.994 -0.354 49 HD2 PHE 11 2HD PHE 11 -3.794 -5.796 -1.569 50 HE1 PHE 11 1HE PHE 11 -7.830 -8.526 -2.245 51 HE2 PHE 11 2HE PHE 11 -5.294 -5.323 -3.461 52 HZ PHE 11 HZ PHE 11 -7.315 -6.688 -3.801 53 H PHE 12 H PHE 12 -0.471 -9.142 -0.105 54 HA PHE 12 HA PHE 12 -0.155 -9.443 2.791 55 HB2 PHE 12 1HB PHE 12 1.707 -10.737 2.385 56 HB3 PHE 12 2HB PHE 12 0.782 -11.060 0.922 57 HD1 PHE 12 2HD PHE 12 1.455 -10.111 -1.211 58 HD2 PHE 12 1HD PHE 12 3.722 -9.429 2.326 59 HE1 PHE 12 2HE PHE 12 3.345 -9.330 -2.578 60 HE2 PHE 12 1HE PHE 12 5.616 -8.646 0.964 61 HZ PHE 12 HZ PHE 12 5.430 -8.597 -1.491 62 H CYS 13 H CYS 13 0.675 -7.870 3.990 63 HA CYS 13 HA CYS 13 1.223 -5.322 3.123 64 HB2 CYS 13 1HB CYS 13 0.892 -6.087 5.506 65 HB3 CYS 13 2HB CYS 13 2.573 -6.612 5.498 66 H ASN 14 H ASN 14 3.067 -4.148 2.620 67 HA ASN 14 HA ASN 14 5.246 -5.738 1.514 68 HB2 ASN 14 1HB ASN 14 4.395 -2.866 1.198 69 HB3 ASN 14 2HB ASN 14 5.957 -3.433 0.616 70 HD21 ASN 14 1HD2 ASN 14 3.853 -2.364 -0.963 71 HD22 ASN 14 2HD2 ASN 14 3.347 -3.600 -2.059 72 H GLU 15 H GLU 15 4.786 -2.995 3.728 73 HA GLU 15 HA GLU 15 7.451 -2.595 4.426 74 HB2 GLU 15 1HB GLU 15 4.945 -2.196 6.066 75 HB3 GLU 15 2HB GLU 15 6.534 -1.609 6.537 76 HG2 GLU 15 1HG GLU 15 5.022 -0.808 4.061 77 HG3 GLU 15 2HG GLU 15 5.192 0.151 5.530 78 H CYS 16 H CYS 16 5.000 -4.484 6.201 79 HA CYS 16 HA CYS 16 7.205 -5.995 7.442 80 HB2 CYS 16 1HB CYS 16 5.920 -6.263 9.397 81 HB3 CYS 16 2HB CYS 16 5.665 -4.585 8.931 82 H ASP 17 H ASP 17 6.091 -8.184 8.368 83 HA ASP 17 HA ASP 17 5.089 -9.528 5.961 84 HB2 ASP 17 1HB ASP 17 5.691 -11.615 7.403 85 HB3 ASP 17 2HB ASP 17 6.985 -10.679 6.659 86 H CYS 18 H CYS 18 2.926 -9.508 5.912 87 HA CYS 18 HA CYS 18 1.487 -10.826 8.051 88 HB2 CYS 18 1HB CYS 18 1.038 -7.935 7.334 89 HB3 CYS 18 2HB CYS 18 -0.230 -8.915 8.061 90 HG CYS 18 HG CYS 18 1.796 -9.575 10.193 91 H ARG 19 H ARG 19 -0.823 -11.183 7.459 92 HA ARG 19 HA ARG 19 -1.190 -11.252 4.538 93 HB2 ARG 19 1HB ARG 19 -2.073 -13.447 4.629 94 HB3 ARG 19 2HB ARG 19 -0.599 -13.486 5.587 95 HG2 ARG 19 1HG ARG 19 -2.084 -13.134 7.614 96 HG3 ARG 19 2HG ARG 19 -3.441 -13.494 6.545 97 HD2 ARG 19 1HD ARG 19 -2.686 -15.481 7.767 98 HD3 ARG 19 2HD ARG 19 -2.485 -15.664 6.024 99 HE ARG 19 HE ARG 19 -0.085 -14.694 7.019 100 HH11 ARG 19 1HH1 ARG 19 -2.067 -17.535 7.360 101 HH12 ARG 19 2HH1 ARG 19 -0.730 -18.587 7.690 102 HH21 ARG 19 1HH2 ARG 19 1.683 -16.068 7.452 103 HH22 ARG 19 2HH2 ARG 19 1.402 -17.752 7.743 104 H PHE 20 H PHE 20 -3.210 -10.789 3.767 105 HA PHE 20 HA PHE 20 -5.440 -10.499 5.605 106 HB2 PHE 20 1HB PHE 20 -4.394 -8.152 4.008 107 HB3 PHE 20 2HB PHE 20 -5.887 -8.168 4.941 108 HD1 PHE 20 2HD PHE 20 -5.648 -8.713 7.466 109 HD2 PHE 20 1HD PHE 20 -2.440 -7.417 4.987 110 HE1 PHE 20 2HE PHE 20 -4.409 -7.976 9.460 111 HE2 PHE 20 1HE PHE 20 -1.196 -6.679 6.977 112 HZ PHE 20 HZ PHE 20 -2.181 -6.957 9.217 113 H SER 21 H SER 21 -7.126 -11.394 4.641 114 HA SER 21 HA SER 21 -7.151 -11.706 1.750 115 HB2 SER 21 1HB SER 21 -8.877 -13.315 2.077 116 HB3 SER 21 2HB SER 21 -7.718 -13.576 3.381 117 HG SER 21 HG SER 21 -9.292 -13.224 4.709 118 H GLU 22 H GLU 22 -7.496 -9.052 2.743 119 HA GLU 22 HA GLU 22 -9.770 -8.271 1.246 120 HB2 GLU 22 1HB GLU 22 -10.679 -9.108 3.550 121 HB3 GLU 22 2HB GLU 22 -10.070 -7.569 4.144 122 HG2 GLU 22 1HG GLU 22 -11.436 -6.497 2.283 123 HG3 GLU 22 2HG GLU 22 -12.222 -8.066 2.118 124 H GLU 23 H GLU 23 -8.853 -6.602 0.249 125 HA GLU 23 HA GLU 23 -6.701 -5.121 0.852 126 HB2 GLU 23 1HB GLU 23 -7.947 -4.825 -1.220 127 HB3 GLU 23 2HB GLU 23 -9.264 -4.058 -0.345 128 HG2 GLU 23 1HG GLU 23 -7.829 -2.454 -1.533 129 HG3 GLU 23 2HG GLU 23 -7.878 -2.178 0.207 130 H ALA 24 H ALA 24 -9.986 -4.364 1.981 131 HA ALA 24 HA ALA 24 -9.516 -2.031 3.355 132 HB1 ALA 24 3HB ALA 24 -11.534 -2.363 4.419 133 HB2 ALA 24 1HB ALA 24 -11.698 -3.409 3.009 134 HB3 ALA 24 2HB ALA 24 -11.286 -4.102 4.578 135 H SER 25 H SER 25 -9.435 -5.301 4.788 136 HA SER 25 HA SER 25 -8.633 -4.739 7.319 137 HB2 SER 25 1HB SER 25 -8.965 -7.031 6.047 138 HB3 SER 25 2HB SER 25 -7.207 -6.967 5.920 139 HG SER 25 HG SER 25 -7.429 -6.471 8.329 140 H LEU 26 H LEU 26 -6.477 -5.082 4.514 141 HA LEU 26 HA LEU 26 -4.078 -4.580 5.899 142 HB2 LEU 26 1HB LEU 26 -4.121 -5.609 3.701 143 HB3 LEU 26 2HB LEU 26 -4.780 -4.132 3.001 144 HG LEU 26 HG LEU 26 -2.635 -2.990 3.675 145 HD11 LEU 26 1HD1 LEU 26 -2.109 -4.939 5.302 146 HD12 LEU 26 2HD1 LEU 26 -0.794 -4.178 4.406 147 HD13 LEU 26 3HD1 LEU 26 -1.447 -5.726 3.869 148 HD21 LEU 26 3HD2 LEU 26 -1.327 -4.068 1.814 149 HD22 LEU 26 1HD2 LEU 26 -2.955 -3.538 1.390 150 HD23 LEU 26 2HD2 LEU 26 -2.634 -5.247 1.683 151 H LYS 27 H LYS 27 -5.682 -2.389 3.585 152 HA LYS 27 HA LYS 27 -4.373 -0.091 3.935 153 HB2 LYS 27 1HB LYS 27 -7.375 -0.422 3.872 154 HB3 LYS 27 2HB LYS 27 -6.560 1.124 3.680 155 HG2 LYS 27 1HG LYS 27 -5.317 0.041 1.739 156 HG3 LYS 27 2HG LYS 27 -6.515 -1.250 1.849 157 HD2 LYS 27 1HD LYS 27 -7.466 0.153 0.278 158 HD3 LYS 27 2HD LYS 27 -8.232 0.707 1.769 159 HE2 LYS 27 1HE LYS 27 -6.506 2.481 1.933 160 HE3 LYS 27 2HE LYS 27 -5.869 1.961 0.374 161 HZ1 LYS 27 3HZ LYS 27 -8.025 3.693 0.903 162 HZ2 LYS 27 1HZ LYS 27 -8.602 2.347 0.056 163 HZ3 LYS 27 2HZ LYS 27 -7.345 3.276 -0.590 164 H ARG 28 H ARG 28 -6.471 -1.562 6.316 165 HA ARG 28 HA ARG 28 -6.510 0.702 8.072 166 HB2 ARG 28 1HB ARG 28 -8.343 -0.828 8.206 167 HB3 ARG 28 2HB ARG 28 -7.264 -2.196 8.444 168 HG2 ARG 28 1HG ARG 28 -7.987 -1.865 10.580 169 HG3 ARG 28 2HG ARG 28 -6.546 -0.847 10.578 170 HD2 ARG 28 1HD ARG 28 -9.179 0.321 9.792 171 HD3 ARG 28 2HD ARG 28 -8.817 0.067 11.499 172 HE ARG 28 HE ARG 28 -6.679 1.418 10.241 173 HH11 ARG 28 1HH1 ARG 28 -9.939 1.911 11.360 174 HH12 ARG 28 2HH1 ARG 28 -9.722 3.605 11.650 175 HH21 ARG 28 1HH2 ARG 28 -6.381 3.647 10.618 176 HH22 ARG 28 2HH2 ARG 28 -7.698 4.592 11.226 177 H HIS 29 H HIS 29 -4.785 -2.405 8.036 178 HA HIS 29 HA HIS 29 -3.319 -1.941 10.410 179 HB2 HIS 29 1HB HIS 29 -3.325 -4.177 9.861 180 HB3 HIS 29 2HB HIS 29 -3.140 -3.866 8.138 181 HD1 HIS 29 1HD HIS 29 -1.218 -4.540 11.224 182 HD2 HIS 29 2HD HIS 29 -0.453 -3.406 7.301 183 HE1 HIS 29 1HE HIS 29 1.253 -4.875 10.897 184 H THR 30 H THR 30 -2.567 -1.425 6.987 185 HA THR 30 HA THR 30 0.098 -0.566 7.377 186 HB THR 30 HB THR 30 -1.722 0.235 5.101 187 HG1 THR 30 1HG THR 30 -0.205 -2.134 5.535 188 HG21 THR 30 3HG2 THR 30 0.671 1.242 5.541 189 HG22 THR 30 1HG2 THR 30 0.171 0.785 3.913 190 HG23 THR 30 2HG2 THR 30 1.204 -0.291 4.853 191 H LEU 31 H LEU 31 -2.976 1.173 7.179 192 HA LEU 31 HA LEU 31 -1.801 3.769 7.317 193 HB2 LEU 31 1HB LEU 31 -3.940 3.603 6.327 194 HB3 LEU 31 2HB LEU 31 -4.595 2.738 7.715 195 HG LEU 31 HG LEU 31 -4.176 4.916 9.014 196 HD11 LEU 31 1HD1 LEU 31 -3.812 5.819 6.180 197 HD12 LEU 31 2HD1 LEU 31 -2.837 6.192 7.601 198 HD13 LEU 31 3HD1 LEU 31 -4.438 6.910 7.417 199 HD21 LEU 31 3HD2 LEU 31 -6.268 5.224 6.901 200 HD22 LEU 31 1HD2 LEU 31 -6.355 5.576 8.627 201 HD23 LEU 31 2HD2 LEU 31 -6.375 3.904 8.066 202 H GLN 32 H GLN 32 -3.069 1.489 9.670 203 HA GLN 32 HA GLN 32 -2.819 3.363 11.859 204 HB2 GLN 32 1HB GLN 32 -4.586 1.555 11.710 205 HB3 GLN 32 2HB GLN 32 -3.308 0.391 12.037 206 HG2 GLN 32 1HG GLN 32 -2.839 1.580 14.160 207 HG3 GLN 32 2HG GLN 32 -4.230 2.616 13.839 208 HE21 GLN 32 1HE2 GLN 32 -5.711 2.041 15.275 209 HE22 GLN 32 2HE2 GLN 32 -6.262 0.430 15.563 210 H THR 33 H THR 33 -1.438 0.117 11.317 211 HA THR 33 HA THR 33 0.576 0.302 13.228 212 HB THR 33 HB THR 33 0.726 -1.263 10.645 213 HG1 THR 33 1HG THR 33 -0.207 -2.231 13.142 214 HG21 THR 33 3HG2 THR 33 2.767 -1.750 11.449 215 HG22 THR 33 1HG2 THR 33 1.906 -2.753 12.616 216 HG23 THR 33 2HG2 THR 33 2.390 -1.114 13.050 217 H HIS 34 H HIS 34 0.816 0.871 9.716 218 HA HIS 34 HA HIS 34 3.400 2.188 10.154 219 HB2 HIS 34 1HB HIS 34 2.146 1.469 7.503 220 HB3 HIS 34 2HB HIS 34 3.827 1.889 7.818 221 HD1 HIS 34 1HD HIS 34 4.312 -0.011 10.229 222 HD2 HIS 34 2HD HIS 34 2.472 -1.113 6.671 223 HE1 HIS 34 1HE HIS 34 4.609 -2.503 10.062 224 H SER 35 H SER 35 2.357 4.070 11.084 225 HA SER 35 HA SER 35 0.938 5.752 9.137 226 HB2 SER 35 1HB SER 35 0.186 7.071 11.057 227 HB3 SER 35 2HB SER 35 -0.208 5.369 11.293 228 HG SER 35 HG SER 35 2.207 6.403 12.292 229 H ASP 36 H ASP 36 1.459 8.068 9.126 230 HA ASP 36 HA ASP 36 4.350 8.484 9.484 231 HB2 ASP 36 1HB ASP 36 4.124 10.254 7.764 232 HB3 ASP 36 2HB ASP 36 3.650 8.667 7.166 233 H LYS 37 H LYS 37 5.093 10.528 10.246 234 HA LYS 37 HA LYS 37 3.189 11.792 12.085 235 HB2 LYS 37 1HB LYS 37 6.206 11.715 12.025 236 HB3 LYS 37 2HB LYS 37 5.298 12.752 13.118 237 HG2 LYS 37 1HG LYS 37 5.925 10.790 14.309 238 HG3 LYS 37 2HG LYS 37 4.185 10.714 14.019 239 HD2 LYS 37 1HD LYS 37 4.511 9.172 12.194 240 HD3 LYS 37 2HD LYS 37 6.264 9.337 12.318 241 HE2 LYS 37 1HE LYS 37 6.111 8.419 14.632 242 HE3 LYS 37 2HE LYS 37 4.397 8.120 14.350 243 HZ1 LYS 37 3HZ LYS 37 6.290 7.050 12.400 244 HZ2 LYS 37 1HZ LYS 37 4.829 6.403 12.957 245 HZ3 LYS 37 2HZ LYS 37 6.222 6.290 13.910 246 H SER 38 H SER 38 2.222 13.009 10.323 247 HA SER 38 HA SER 38 3.216 15.642 10.161 248 HB2 SER 38 1HB SER 38 4.686 14.230 8.495 249 HB3 SER 38 2HB SER 38 3.272 14.369 7.450 250 HG SER 38 HG SER 38 4.642 16.546 8.653 251 H GLY 39 H GLY 39 1.745 17.078 9.178 252 HA2 GLY 39 1HA GLY 39 -0.229 17.166 7.599 253 HA3 GLY 39 2HA GLY 39 -0.862 15.836 8.558 254 HA PRO 40 HA PRO 40 -1.746 20.213 10.379 255 HB2 PRO 40 1HB PRO 40 -4.039 20.882 9.090 256 HB3 PRO 40 2HB PRO 40 -2.438 21.360 8.513 257 HG2 PRO 40 1HG PRO 40 -4.180 19.099 7.609 258 HG3 PRO 40 2HG PRO 40 -3.226 20.234 6.637 259 HD2 PRO 40 1HD PRO 40 -2.382 17.721 7.188 260 HD3 PRO 40 2HD PRO 40 -1.261 19.084 6.994 261 H SER 41 H SER 41 -3.845 20.817 11.528 262 HA SER 41 HA SER 41 -5.149 20.105 13.299 263 HB2 SER 41 1HB SER 41 -7.279 19.418 12.533 264 HB3 SER 41 2HB SER 41 -6.601 20.347 11.197 265 HG SER 41 HG SER 41 -5.860 18.192 10.419 266 H SER 42 H SER 42 -2.938 18.538 13.353 267 HA SER 42 HA SER 42 -3.993 15.822 13.795 268 HB2 SER 42 1HB SER 42 -1.796 14.949 13.360 269 HB3 SER 42 2HB SER 42 -2.196 16.054 12.045 270 HG SER 42 HG SER 42 -0.374 16.378 14.158 271 H GLY 43 H GLY 43 -1.775 18.290 15.052 272 HA2 GLY 43 1HA GLY 43 -2.518 17.850 17.740 273 HA3 GLY 43 2HA GLY 43 -1.021 16.992 17.409 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -1.791 -32.505 -3.270 2 HA2 GLY 1 1HA GLY 1 -2.377 -33.156 -0.748 3 HA3 GLY 1 2HA GLY 1 -0.755 -33.391 -1.383 4 H SER 2 H SER 2 -1.657 -32.771 1.349 5 HA SER 2 HA SER 2 -1.288 -30.150 2.123 6 HB2 SER 2 1HB SER 2 -0.496 -31.098 4.309 7 HB3 SER 2 2HB SER 2 -2.002 -31.805 3.724 8 HG SER 2 HG SER 2 -0.502 -33.457 2.763 9 H SER 3 H SER 3 0.332 -28.783 1.844 10 HA SER 3 HA SER 3 3.087 -29.802 1.931 11 HB2 SER 3 1HB SER 3 2.208 -29.366 -0.446 12 HB3 SER 3 2HB SER 3 2.255 -27.657 -0.016 13 HG SER 3 HG SER 3 4.251 -27.862 -0.692 14 H GLY 4 H GLY 4 4.692 -27.974 2.185 15 HA2 GLY 4 1HA GLY 4 3.812 -26.319 4.381 16 HA3 GLY 4 2HA GLY 4 5.450 -26.441 3.754 17 H SER 5 H SER 5 2.248 -25.163 2.868 18 HA SER 5 HA SER 5 3.576 -22.727 1.918 19 HB2 SER 5 1HB SER 5 2.294 -22.667 -0.117 20 HB3 SER 5 2HB SER 5 3.080 -24.244 -0.028 21 HG SER 5 HG SER 5 0.517 -23.756 -0.312 22 H SER 6 H SER 6 2.148 -20.873 1.780 23 HA SER 6 HA SER 6 0.502 -20.599 4.036 24 HB2 SER 6 1HB SER 6 1.694 -18.750 2.764 25 HB3 SER 6 2HB SER 6 0.385 -18.835 1.585 26 HG SER 6 HG SER 6 -0.912 -17.874 2.949 27 H GLY 7 H GLY 7 -1.807 -19.926 4.007 28 HA2 GLY 7 1HA GLY 7 -3.304 -21.697 2.193 29 HA3 GLY 7 2HA GLY 7 -3.858 -21.153 3.769 30 H ASN 8 H ASN 8 -3.710 -18.524 3.774 31 HA ASN 8 HA ASN 8 -4.989 -17.559 1.315 32 HB2 ASN 8 1HB ASN 8 -6.091 -17.371 4.117 33 HB3 ASN 8 2HB ASN 8 -6.607 -16.283 2.832 34 HD21 ASN 8 1HD2 ASN 8 -7.205 -19.162 4.365 35 HD22 ASN 8 2HD2 ASN 8 -8.227 -19.896 3.180 36 H GLY 9 H GLY 9 -5.156 -15.147 1.275 37 HA2 GLY 9 1HA GLY 9 -4.180 -13.205 2.738 38 HA3 GLY 9 2HA GLY 9 -2.673 -14.025 2.356 39 H ALA 10 H ALA 10 -5.546 -13.358 0.369 40 HA ALA 10 HA ALA 10 -4.375 -12.910 -2.025 41 HB1 ALA 10 3HB ALA 10 -6.345 -10.874 -1.736 42 HB2 ALA 10 1HB ALA 10 -6.466 -12.421 -2.574 43 HB3 ALA 10 2HB ALA 10 -6.881 -12.309 -0.863 44 H PHE 11 H PHE 11 -4.761 -10.477 0.536 45 HA PHE 11 HA PHE 11 -2.828 -8.779 -0.899 46 HB2 PHE 11 1HB PHE 11 -5.054 -8.031 1.002 47 HB3 PHE 11 2HB PHE 11 -3.816 -6.900 0.467 48 HD1 PHE 11 1HD PHE 11 -6.621 -9.015 -0.660 49 HD2 PHE 11 2HD PHE 11 -3.937 -5.863 -1.648 50 HE1 PHE 11 1HE PHE 11 -7.961 -8.506 -2.660 51 HE2 PHE 11 2HE PHE 11 -5.273 -5.348 -3.649 52 HZ PHE 11 HZ PHE 11 -7.289 -6.669 -4.156 53 H PHE 12 H PHE 12 -0.881 -8.661 -0.020 54 HA PHE 12 HA PHE 12 -0.605 -9.189 2.865 55 HB2 PHE 12 1HB PHE 12 1.768 -9.832 2.279 56 HB3 PHE 12 2HB PHE 12 0.523 -10.910 1.656 57 HD1 PHE 12 2HD PHE 12 -0.152 -10.716 -0.755 58 HD2 PHE 12 1HD PHE 12 3.267 -8.747 0.842 59 HE1 PHE 12 2HE PHE 12 0.747 -10.440 -3.029 60 HE2 PHE 12 1HE PHE 12 4.171 -8.467 -1.430 61 HZ PHE 12 HZ PHE 12 2.911 -9.316 -3.368 62 H CYS 13 H CYS 13 0.915 -7.956 4.056 63 HA CYS 13 HA CYS 13 1.008 -5.207 3.291 64 HB2 CYS 13 1HB CYS 13 0.797 -6.094 5.656 65 HB3 CYS 13 2HB CYS 13 2.508 -6.498 5.571 66 H ASN 14 H ASN 14 2.767 -3.942 2.740 67 HA ASN 14 HA ASN 14 4.951 -5.372 1.470 68 HB2 ASN 14 1HB ASN 14 4.398 -2.398 1.535 69 HB3 ASN 14 2HB ASN 14 5.527 -3.232 0.471 70 HD21 ASN 14 1HD2 ASN 14 3.268 -1.546 -0.206 71 HD22 ASN 14 2HD2 ASN 14 2.214 -2.512 -1.176 72 H GLU 15 H GLU 15 4.594 -2.747 3.853 73 HA GLU 15 HA GLU 15 7.274 -2.424 4.497 74 HB2 GLU 15 1HB GLU 15 4.852 -2.132 6.282 75 HB3 GLU 15 2HB GLU 15 6.458 -1.535 6.672 76 HG2 GLU 15 1HG GLU 15 5.107 -0.687 4.147 77 HG3 GLU 15 2HG GLU 15 4.701 0.078 5.682 78 H CYS 16 H CYS 16 4.870 -4.432 6.204 79 HA CYS 16 HA CYS 16 7.107 -6.047 7.242 80 HB2 CYS 16 1HB CYS 16 5.918 -6.418 9.258 81 HB3 CYS 16 2HB CYS 16 5.768 -4.694 8.933 82 H ASP 17 H ASP 17 6.226 -8.299 7.972 83 HA ASP 17 HA ASP 17 4.886 -9.433 5.635 84 HB2 ASP 17 1HB ASP 17 6.305 -10.852 7.899 85 HB3 ASP 17 2HB ASP 17 5.746 -11.579 6.395 86 H CYS 18 H CYS 18 2.724 -9.250 5.889 87 HA CYS 18 HA CYS 18 1.490 -10.847 7.961 88 HB2 CYS 18 1HB CYS 18 1.839 -8.385 8.781 89 HB3 CYS 18 2HB CYS 18 0.482 -8.033 7.717 90 HG CYS 18 HG CYS 18 -0.791 -10.411 9.219 91 H ARG 19 H ARG 19 -0.070 -11.982 7.030 92 HA ARG 19 HA ARG 19 -1.075 -11.185 4.427 93 HB2 ARG 19 1HB ARG 19 -1.914 -13.382 4.222 94 HB3 ARG 19 2HB ARG 19 -0.368 -13.551 5.043 95 HG2 ARG 19 1HG ARG 19 -1.673 -14.948 6.292 96 HG3 ARG 19 2HG ARG 19 -1.847 -13.444 7.200 97 HD2 ARG 19 1HD ARG 19 -4.003 -13.092 6.461 98 HD3 ARG 19 2HD ARG 19 -3.774 -14.063 5.008 99 HE ARG 19 HE ARG 19 -3.597 -15.657 7.353 100 HH11 ARG 19 1HH1 ARG 19 -5.864 -14.056 5.251 101 HH12 ARG 19 2HH1 ARG 19 -7.165 -15.141 5.612 102 HH21 ARG 19 1HH2 ARG 19 -5.303 -17.092 7.837 103 HH22 ARG 19 2HH2 ARG 19 -6.845 -16.867 7.084 104 H PHE 20 H PHE 20 -3.273 -10.917 3.917 105 HA PHE 20 HA PHE 20 -5.105 -10.578 6.186 106 HB2 PHE 20 1HB PHE 20 -4.682 -8.570 3.962 107 HB3 PHE 20 2HB PHE 20 -5.949 -8.476 5.182 108 HD1 PHE 20 1HD PHE 20 -2.262 -8.558 4.766 109 HD2 PHE 20 2HD PHE 20 -5.552 -7.421 7.215 110 HE1 PHE 20 1HE PHE 20 -0.728 -7.339 6.255 111 HE2 PHE 20 2HE PHE 20 -4.024 -6.200 8.707 112 HZ PHE 20 HZ PHE 20 -1.609 -6.157 8.228 113 H SER 21 H SER 21 -7.395 -10.430 5.498 114 HA SER 21 HA SER 21 -7.927 -12.438 3.491 115 HB2 SER 21 1HB SER 21 -10.269 -12.245 4.248 116 HB3 SER 21 2HB SER 21 -9.167 -12.476 5.605 117 HG SER 21 HG SER 21 -9.255 -10.188 5.922 118 H GLU 22 H GLU 22 -8.861 -9.044 4.025 119 HA GLU 22 HA GLU 22 -9.443 -8.853 1.142 120 HB2 GLU 22 1HB GLU 22 -10.729 -7.368 3.439 121 HB3 GLU 22 2HB GLU 22 -11.018 -7.015 1.741 122 HG2 GLU 22 1HG GLU 22 -11.716 -9.481 1.563 123 HG3 GLU 22 2HG GLU 22 -11.818 -9.424 3.322 124 H GLU 23 H GLU 23 -9.157 -6.643 0.238 125 HA GLU 23 HA GLU 23 -6.550 -5.699 0.744 126 HB2 GLU 23 1HB GLU 23 -7.675 -5.503 -1.444 127 HB3 GLU 23 2HB GLU 23 -8.794 -4.335 -0.755 128 HG2 GLU 23 1HG GLU 23 -5.878 -3.794 -0.564 129 HG3 GLU 23 2HG GLU 23 -6.685 -3.573 -2.116 130 H ALA 24 H ALA 24 -9.739 -4.406 1.591 131 HA ALA 24 HA ALA 24 -9.000 -1.978 2.686 132 HB1 ALA 24 3HB ALA 24 -11.341 -3.265 2.410 133 HB2 ALA 24 1HB ALA 24 -11.097 -3.450 4.147 134 HB3 ALA 24 2HB ALA 24 -11.128 -1.840 3.427 135 H SER 25 H SER 25 -9.221 -5.132 4.317 136 HA SER 25 HA SER 25 -8.590 -4.381 6.889 137 HB2 SER 25 1HB SER 25 -9.156 -6.722 5.907 138 HB3 SER 25 2HB SER 25 -7.411 -6.883 5.710 139 HG SER 25 HG SER 25 -7.828 -7.671 7.706 140 H LEU 26 H LEU 26 -6.294 -5.372 4.351 141 HA LEU 26 HA LEU 26 -3.940 -5.033 5.766 142 HB2 LEU 26 1HB LEU 26 -3.784 -6.073 3.678 143 HB3 LEU 26 2HB LEU 26 -4.614 -4.752 2.859 144 HG LEU 26 HG LEU 26 -2.452 -3.417 3.631 145 HD11 LEU 26 1HD1 LEU 26 -0.952 -5.811 2.950 146 HD12 LEU 26 2HD1 LEU 26 -1.787 -5.944 4.497 147 HD13 LEU 26 3HD1 LEU 26 -0.665 -4.614 4.213 148 HD21 LEU 26 3HD2 LEU 26 -3.238 -3.648 1.339 149 HD22 LEU 26 1HD2 LEU 26 -2.564 -5.276 1.258 150 HD23 LEU 26 2HD2 LEU 26 -1.492 -3.886 1.427 151 H LYS 27 H LYS 27 -5.423 -2.659 3.550 152 HA LYS 27 HA LYS 27 -3.768 -0.533 3.873 153 HB2 LYS 27 1HB LYS 27 -6.715 -0.752 3.466 154 HB3 LYS 27 2HB LYS 27 -6.044 0.835 3.813 155 HG2 LYS 27 1HG LYS 27 -4.461 0.478 1.900 156 HG3 LYS 27 2HG LYS 27 -5.391 -0.968 1.498 157 HD2 LYS 27 1HD LYS 27 -7.335 0.293 1.036 158 HD3 LYS 27 2HD LYS 27 -6.665 1.742 1.789 159 HE2 LYS 27 1HE LYS 27 -5.238 2.159 0.003 160 HE3 LYS 27 2HE LYS 27 -5.315 0.495 -0.574 161 HZ1 LYS 27 3HZ LYS 27 -6.599 1.734 -2.065 162 HZ2 LYS 27 1HZ LYS 27 -7.360 2.616 -0.837 163 HZ3 LYS 27 2HZ LYS 27 -7.735 0.982 -1.061 164 H ARG 28 H ARG 28 -6.671 -1.027 5.894 165 HA ARG 28 HA ARG 28 -6.311 0.982 7.712 166 HB2 ARG 28 1HB ARG 28 -8.257 -0.569 7.630 167 HB3 ARG 28 2HB ARG 28 -7.263 -1.807 8.386 168 HG2 ARG 28 1HG ARG 28 -6.940 -0.207 10.307 169 HG3 ARG 28 2HG ARG 28 -8.195 0.791 9.570 170 HD2 ARG 28 1HD ARG 28 -9.352 -0.516 11.120 171 HD3 ARG 28 2HD ARG 28 -9.623 -1.337 9.583 172 HE ARG 28 HE ARG 28 -7.353 -2.358 10.995 173 HH11 ARG 28 1HH1 ARG 28 -10.822 -2.501 10.737 174 HH12 ARG 28 2HH1 ARG 28 -10.935 -4.102 11.389 175 HH21 ARG 28 1HH2 ARG 28 -7.489 -4.466 11.854 176 HH22 ARG 28 2HH2 ARG 28 -9.039 -5.219 12.025 177 H HIS 29 H HIS 29 -4.943 -2.296 7.902 178 HA HIS 29 HA HIS 29 -3.628 -2.072 10.332 179 HB2 HIS 29 1HB HIS 29 -3.575 -4.226 9.521 180 HB3 HIS 29 2HB HIS 29 -3.210 -3.713 7.876 181 HD1 HIS 29 1HD HIS 29 -1.620 -4.762 11.049 182 HD2 HIS 29 2HD HIS 29 -0.452 -3.204 7.379 183 HE1 HIS 29 1HE HIS 29 0.871 -5.091 10.941 184 H THR 30 H THR 30 -2.462 -1.229 7.087 185 HA THR 30 HA THR 30 0.115 -0.399 7.922 186 HB THR 30 HB THR 30 -1.432 0.392 5.445 187 HG1 THR 30 1HG THR 30 -0.208 -1.292 4.491 188 HG21 THR 30 3HG2 THR 30 1.553 0.454 5.828 189 HG22 THR 30 1HG2 THR 30 0.533 1.861 6.126 190 HG23 THR 30 2HG2 THR 30 0.605 1.149 4.514 191 H LEU 31 H LEU 31 -2.933 1.317 7.416 192 HA LEU 31 HA LEU 31 -2.045 3.935 7.631 193 HB2 LEU 31 1HB LEU 31 -4.269 3.638 6.994 194 HB3 LEU 31 2HB LEU 31 -4.616 2.587 8.365 195 HG LEU 31 HG LEU 31 -4.394 4.603 9.845 196 HD11 LEU 31 1HD1 LEU 31 -3.621 6.507 9.021 197 HD12 LEU 31 2HD1 LEU 31 -4.979 6.580 7.898 198 HD13 LEU 31 3HD1 LEU 31 -3.485 5.770 7.424 199 HD21 LEU 31 3HD2 LEU 31 -6.578 3.832 9.361 200 HD22 LEU 31 1HD2 LEU 31 -6.520 4.475 7.720 201 HD23 LEU 31 2HD2 LEU 31 -6.602 5.576 9.095 202 H GLN 32 H GLN 32 -3.022 1.696 10.207 203 HA GLN 32 HA GLN 32 -2.281 3.618 12.252 204 HB2 GLN 32 1HB GLN 32 -3.641 0.967 12.211 205 HB3 GLN 32 2HB GLN 32 -2.843 1.461 13.698 206 HG2 GLN 32 1HG GLN 32 -4.719 3.342 12.350 207 HG3 GLN 32 2HG GLN 32 -5.359 2.001 13.297 208 HE21 GLN 32 1HE2 GLN 32 -3.964 5.101 13.368 209 HE22 GLN 32 2HE2 GLN 32 -3.877 5.282 15.083 210 H THR 33 H THR 33 -1.368 0.255 11.484 211 HA THR 33 HA THR 33 0.787 0.029 13.204 212 HB THR 33 HB THR 33 0.630 -1.216 10.454 213 HG1 THR 33 1HG THR 33 -0.958 -2.369 11.227 214 HG21 THR 33 3HG2 THR 33 2.306 -2.602 11.068 215 HG22 THR 33 1HG2 THR 33 1.764 -2.684 12.743 216 HG23 THR 33 2HG2 THR 33 2.708 -1.301 12.188 217 H HIS 34 H HIS 34 0.856 1.001 9.775 218 HA HIS 34 HA HIS 34 3.519 2.167 10.251 219 HB2 HIS 34 1HB HIS 34 2.381 1.482 7.546 220 HB3 HIS 34 2HB HIS 34 4.061 1.788 7.975 221 HD1 HIS 34 1HD HIS 34 4.970 -0.113 9.844 222 HD2 HIS 34 2HD HIS 34 1.878 -1.151 7.270 223 HE1 HIS 34 1HE HIS 34 4.934 -2.628 9.816 224 H SER 35 H SER 35 2.613 4.115 11.073 225 HA SER 35 HA SER 35 0.781 5.685 9.557 226 HB2 SER 35 1HB SER 35 1.023 5.891 12.015 227 HB3 SER 35 2HB SER 35 2.640 6.556 11.784 228 HG SER 35 HG SER 35 1.795 8.411 11.253 229 H ASP 36 H ASP 36 1.136 7.428 8.234 230 HA ASP 36 HA ASP 36 3.913 7.792 7.325 231 HB2 ASP 36 1HB ASP 36 1.282 7.991 5.873 232 HB3 ASP 36 2HB ASP 36 2.749 8.722 5.227 233 H LYS 37 H LYS 37 4.724 9.519 8.345 234 HA LYS 37 HA LYS 37 3.048 11.856 8.826 235 HB2 LYS 37 1HB LYS 37 5.717 10.926 9.806 236 HB3 LYS 37 2HB LYS 37 5.328 12.640 9.888 237 HG2 LYS 37 1HG LYS 37 4.708 11.836 11.972 238 HG3 LYS 37 2HG LYS 37 3.184 11.889 11.083 239 HD2 LYS 37 1HD LYS 37 3.117 9.802 12.101 240 HD3 LYS 37 2HD LYS 37 3.722 9.430 10.485 241 HE2 LYS 37 1HE LYS 37 6.028 9.485 11.384 242 HE3 LYS 37 2HE LYS 37 5.363 9.744 12.997 243 HZ1 LYS 37 3HZ LYS 37 5.837 7.438 12.734 244 HZ2 LYS 37 1HZ LYS 37 4.986 7.358 11.273 245 HZ3 LYS 37 2HZ LYS 37 4.155 7.614 12.724 246 H SER 38 H SER 38 6.138 11.071 7.245 247 HA SER 38 HA SER 38 6.836 13.526 6.251 248 HB2 SER 38 1HB SER 38 8.005 12.333 4.445 249 HB3 SER 38 2HB SER 38 8.225 11.513 5.990 250 HG SER 38 HG SER 38 7.653 9.892 4.695 251 H GLY 39 H GLY 39 5.840 14.960 5.009 252 HA2 GLY 39 1HA GLY 39 4.690 14.478 2.531 253 HA3 GLY 39 2HA GLY 39 3.381 14.398 3.700 254 HA PRO 40 HA PRO 40 3.717 18.799 2.390 255 HB2 PRO 40 1HB PRO 40 1.035 19.213 2.338 256 HB3 PRO 40 2HB PRO 40 1.929 18.537 0.972 257 HG2 PRO 40 1HG PRO 40 0.311 17.128 3.059 258 HG3 PRO 40 2HG PRO 40 0.368 16.847 1.309 259 HD2 PRO 40 1HD PRO 40 1.706 15.295 3.078 260 HD3 PRO 40 2HD PRO 40 2.314 15.620 1.443 261 H SER 41 H SER 41 4.539 19.550 4.332 262 HA SER 41 HA SER 41 2.683 19.780 6.594 263 HB2 SER 41 1HB SER 41 4.650 20.211 7.969 264 HB3 SER 41 2HB SER 41 4.892 18.737 7.032 265 HG SER 41 HG SER 41 6.735 19.874 6.762 266 H SER 42 H SER 42 4.840 21.682 4.539 267 HA SER 42 HA SER 42 4.463 24.170 5.769 268 HB2 SER 42 1HB SER 42 5.120 23.457 2.905 269 HB3 SER 42 2HB SER 42 5.140 25.108 3.525 270 HG SER 42 HG SER 42 7.193 23.858 3.539 271 H GLY 43 H GLY 43 2.709 25.388 5.954 272 HA2 GLY 43 1HA GLY 43 1.034 26.369 4.107 273 HA3 GLY 43 2HA GLY 43 0.349 24.774 4.377 Start of MODEL 10 1 H1 GLY 1 H GLY 1 11.858 -22.308 -8.486 2 HA2 GLY 1 1HA GLY 1 12.255 -24.931 -7.204 3 HA3 GLY 1 2HA GLY 1 11.706 -23.477 -6.384 4 H SER 2 H SER 2 9.563 -23.055 -6.250 5 HA SER 2 HA SER 2 7.762 -25.175 -7.001 6 HB2 SER 2 1HB SER 2 7.374 -22.559 -5.543 7 HB3 SER 2 2HB SER 2 6.041 -23.655 -5.907 8 HG SER 2 HG SER 2 7.192 -25.272 -4.728 9 H SER 3 H SER 3 5.559 -24.488 -7.931 10 HA SER 3 HA SER 3 5.601 -22.311 -9.815 11 HB2 SER 3 1HB SER 3 6.880 -24.288 -10.882 12 HB3 SER 3 2HB SER 3 5.299 -25.058 -11.011 13 HG SER 3 HG SER 3 4.802 -23.754 -12.587 14 H GLY 4 H GLY 4 3.569 -21.706 -10.448 15 HA2 GLY 4 1HA GLY 4 1.287 -21.515 -10.228 16 HA3 GLY 4 2HA GLY 4 1.283 -23.222 -10.644 17 H SER 5 H SER 5 2.001 -21.166 -7.819 18 HA SER 5 HA SER 5 1.139 -23.241 -6.008 19 HB2 SER 5 1HB SER 5 2.069 -20.398 -5.572 20 HB3 SER 5 2HB SER 5 1.587 -21.470 -4.258 21 HG SER 5 HG SER 5 3.853 -21.505 -4.644 22 H SER 6 H SER 6 -0.451 -22.719 -4.261 23 HA SER 6 HA SER 6 -2.942 -22.004 -5.432 24 HB2 SER 6 1HB SER 6 -2.381 -23.627 -3.434 25 HB3 SER 6 2HB SER 6 -2.588 -22.170 -2.463 26 HG SER 6 HG SER 6 -4.662 -22.306 -2.751 27 H GLY 7 H GLY 7 -1.085 -20.525 -2.764 28 HA2 GLY 7 1HA GLY 7 -0.775 -18.035 -3.084 29 HA3 GLY 7 2HA GLY 7 -2.516 -18.002 -3.319 30 H ASN 8 H ASN 8 0.037 -17.962 -1.053 31 HA ASN 8 HA ASN 8 -1.784 -18.373 1.203 32 HB2 ASN 8 1HB ASN 8 0.477 -19.522 1.090 33 HB3 ASN 8 2HB ASN 8 1.201 -17.934 1.330 34 HD21 ASN 8 1HD2 ASN 8 1.025 -20.476 2.961 35 HD22 ASN 8 2HD2 ASN 8 0.510 -19.937 4.520 36 H GLY 9 H GLY 9 -2.919 -16.368 0.862 37 HA2 GLY 9 1HA GLY 9 -3.252 -14.310 2.003 38 HA3 GLY 9 2HA GLY 9 -1.508 -14.122 2.116 39 H ALA 10 H ALA 10 -4.288 -13.872 -0.014 40 HA ALA 10 HA ALA 10 -3.068 -13.035 -2.355 41 HB1 ALA 10 3HB ALA 10 -5.379 -11.524 -2.238 42 HB2 ALA 10 1HB ALA 10 -5.229 -13.160 -2.882 43 HB3 ALA 10 2HB ALA 10 -5.730 -12.912 -1.209 44 H PHE 11 H PHE 11 -3.827 -11.204 0.554 45 HA PHE 11 HA PHE 11 -2.427 -8.888 -0.613 46 HB2 PHE 11 1HB PHE 11 -4.473 -8.777 1.606 47 HB3 PHE 11 2HB PHE 11 -3.785 -7.424 0.714 48 HD1 PHE 11 2HD PHE 11 -4.126 -7.671 -1.944 49 HD2 PHE 11 1HD PHE 11 -6.606 -9.387 1.060 50 HE1 PHE 11 2HE PHE 11 -5.988 -7.780 -3.548 51 HE2 PHE 11 1HE PHE 11 -8.472 -9.500 -0.540 52 HZ PHE 11 HZ PHE 11 -8.165 -8.695 -2.848 53 H PHE 12 H PHE 12 -0.542 -8.416 0.285 54 HA PHE 12 HA PHE 12 -0.120 -9.027 3.126 55 HB2 PHE 12 1HB PHE 12 2.063 -9.953 2.702 56 HB3 PHE 12 2HB PHE 12 0.897 -10.815 1.703 57 HD1 PHE 12 2HD PHE 12 0.585 -9.811 -0.719 58 HD2 PHE 12 1HD PHE 12 4.016 -9.241 1.735 59 HE1 PHE 12 2HE PHE 12 1.927 -9.308 -2.718 60 HE2 PHE 12 1HE PHE 12 5.364 -8.736 -0.261 61 HZ PHE 12 HZ PHE 12 4.320 -8.771 -2.491 62 H CYS 13 H CYS 13 0.692 -7.368 4.228 63 HA CYS 13 HA CYS 13 1.035 -4.834 3.190 64 HB2 CYS 13 1HB CYS 13 0.729 -5.213 5.569 65 HB3 CYS 13 2HB CYS 13 2.281 -6.039 5.668 66 H ASN 14 H ASN 14 2.636 -3.745 2.212 67 HA ASN 14 HA ASN 14 4.827 -5.130 1.094 68 HB2 ASN 14 1HB ASN 14 4.321 -2.156 1.344 69 HB3 ASN 14 2HB ASN 14 5.577 -2.879 0.344 70 HD21 ASN 14 1HD2 ASN 14 2.510 -1.683 0.353 71 HD22 ASN 14 2HD2 ASN 14 1.912 -2.420 -1.091 72 H GLU 15 H GLU 15 4.653 -2.712 3.699 73 HA GLU 15 HA GLU 15 7.389 -2.635 4.287 74 HB2 GLU 15 1HB GLU 15 4.916 -2.018 5.873 75 HB3 GLU 15 2HB GLU 15 6.500 -1.949 6.633 76 HG2 GLU 15 1HG GLU 15 6.061 -0.485 4.081 77 HG3 GLU 15 2HG GLU 15 5.415 0.183 5.579 78 H CYS 16 H CYS 16 4.991 -4.084 6.474 79 HA CYS 16 HA CYS 16 7.003 -6.034 7.304 80 HB2 CYS 16 1HB CYS 16 5.694 -6.379 9.259 81 HB3 CYS 16 2HB CYS 16 5.702 -4.641 8.976 82 H ASP 17 H ASP 17 6.201 -8.276 7.783 83 HA ASP 17 HA ASP 17 4.702 -9.237 5.469 84 HB2 ASP 17 1HB ASP 17 6.593 -10.500 7.422 85 HB3 ASP 17 2HB ASP 17 5.490 -11.514 6.495 86 H CYS 18 H CYS 18 2.563 -9.229 5.782 87 HA CYS 18 HA CYS 18 1.512 -10.730 8.058 88 HB2 CYS 18 1HB CYS 18 0.967 -7.856 7.452 89 HB3 CYS 18 2HB CYS 18 -0.345 -8.844 8.083 90 HG CYS 18 HG CYS 18 0.315 -8.522 10.533 91 H ARG 19 H ARG 19 -0.691 -11.454 7.756 92 HA ARG 19 HA ARG 19 -1.368 -11.705 4.903 93 HB2 ARG 19 1HB ARG 19 -0.811 -13.804 6.147 94 HB3 ARG 19 2HB ARG 19 -2.207 -13.512 7.175 95 HG2 ARG 19 1HG ARG 19 -3.668 -13.642 5.208 96 HG3 ARG 19 2HG ARG 19 -2.258 -13.978 4.201 97 HD2 ARG 19 1HD ARG 19 -1.840 -15.926 5.845 98 HD3 ARG 19 2HD ARG 19 -3.523 -15.685 6.313 99 HE ARG 19 HE ARG 19 -3.598 -15.862 3.593 100 HH11 ARG 19 1HH1 ARG 19 -2.367 -17.878 6.151 101 HH12 ARG 19 2HH1 ARG 19 -2.626 -19.357 5.287 102 HH21 ARG 19 1HH2 ARG 19 -3.944 -17.802 2.445 103 HH22 ARG 19 2HH2 ARG 19 -3.522 -19.313 3.179 104 H PHE 20 H PHE 20 -3.489 -11.425 4.213 105 HA PHE 20 HA PHE 20 -5.477 -10.545 6.159 106 HB2 PHE 20 1HB PHE 20 -4.523 -8.863 3.837 107 HB3 PHE 20 2HB PHE 20 -6.018 -8.554 4.715 108 HD1 PHE 20 2HD PHE 20 -5.799 -8.238 7.275 109 HD2 PHE 20 1HD PHE 20 -2.551 -7.895 4.545 110 HE1 PHE 20 2HE PHE 20 -4.552 -6.912 8.930 111 HE2 PHE 20 1HE PHE 20 -1.299 -6.570 6.197 112 HZ PHE 20 HZ PHE 20 -2.299 -6.075 8.392 113 H SER 21 H SER 21 -7.640 -10.584 5.364 114 HA SER 21 HA SER 21 -7.975 -12.486 3.167 115 HB2 SER 21 1HB SER 21 -9.044 -12.798 5.478 116 HB3 SER 21 2HB SER 21 -10.148 -11.504 5.014 117 HG SER 21 HG SER 21 -9.765 -13.682 3.286 118 H GLU 22 H GLU 22 -8.791 -9.215 4.116 119 HA GLU 22 HA GLU 22 -9.902 -8.778 1.424 120 HB2 GLU 22 1HB GLU 22 -11.629 -8.744 3.263 121 HB3 GLU 22 2HB GLU 22 -10.807 -7.333 3.915 122 HG2 GLU 22 1HG GLU 22 -11.186 -6.199 1.725 123 HG3 GLU 22 2HG GLU 22 -12.178 -7.576 1.251 124 H GLU 23 H GLU 23 -9.053 -7.131 0.294 125 HA GLU 23 HA GLU 23 -6.649 -5.976 0.851 126 HB2 GLU 23 1HB GLU 23 -7.976 -5.903 -1.323 127 HB3 GLU 23 2HB GLU 23 -8.806 -4.504 -0.656 128 HG2 GLU 23 1HG GLU 23 -6.929 -3.172 -0.756 129 HG3 GLU 23 2HG GLU 23 -5.826 -4.547 -0.759 130 H ALA 24 H ALA 24 -9.836 -4.526 1.485 131 HA ALA 24 HA ALA 24 -9.182 -2.093 2.485 132 HB1 ALA 24 3HB ALA 24 -11.180 -2.171 3.830 133 HB2 ALA 24 1HB ALA 24 -11.480 -2.985 2.295 134 HB3 ALA 24 2HB ALA 24 -11.203 -3.933 3.757 135 H SER 25 H SER 25 -9.173 -5.126 4.347 136 HA SER 25 HA SER 25 -8.457 -4.163 6.822 137 HB2 SER 25 1HB SER 25 -8.967 -6.583 6.085 138 HB3 SER 25 2HB SER 25 -7.244 -6.693 5.726 139 HG SER 25 HG SER 25 -8.054 -5.717 8.225 140 H LEU 26 H LEU 26 -6.224 -5.259 4.268 141 HA LEU 26 HA LEU 26 -3.824 -4.742 5.498 142 HB2 LEU 26 1HB LEU 26 -4.184 -5.795 3.257 143 HB3 LEU 26 2HB LEU 26 -4.411 -4.176 2.598 144 HG LEU 26 HG LEU 26 -1.879 -4.897 4.030 145 HD11 LEU 26 1HD1 LEU 26 -1.118 -5.211 1.505 146 HD12 LEU 26 2HD1 LEU 26 -2.776 -5.790 1.350 147 HD13 LEU 26 3HD1 LEU 26 -1.678 -6.559 2.496 148 HD21 LEU 26 3HD2 LEU 26 -1.501 -3.227 1.794 149 HD22 LEU 26 1HD2 LEU 26 -1.393 -2.799 3.501 150 HD23 LEU 26 2HD2 LEU 26 -2.925 -2.625 2.644 151 H LYS 27 H LYS 27 -5.686 -2.475 3.477 152 HA LYS 27 HA LYS 27 -4.095 -0.267 3.543 153 HB2 LYS 27 1HB LYS 27 -7.047 -0.651 3.511 154 HB3 LYS 27 2HB LYS 27 -6.442 0.974 3.801 155 HG2 LYS 27 1HG LYS 27 -6.909 0.633 1.448 156 HG3 LYS 27 2HG LYS 27 -5.181 0.880 1.709 157 HD2 LYS 27 1HD LYS 27 -5.106 -1.722 1.816 158 HD3 LYS 27 2HD LYS 27 -6.653 -1.618 0.972 159 HE2 LYS 27 1HE LYS 27 -5.706 -0.653 -0.908 160 HE3 LYS 27 2HE LYS 27 -4.297 -0.070 -0.024 161 HZ1 LYS 27 3HZ LYS 27 -4.824 -2.722 -1.141 162 HZ2 LYS 27 1HZ LYS 27 -3.909 -2.634 0.279 163 HZ3 LYS 27 2HZ LYS 27 -3.388 -1.828 -1.113 164 H ARG 28 H ARG 28 -6.786 -0.640 5.855 165 HA ARG 28 HA ARG 28 -6.156 1.340 7.611 166 HB2 ARG 28 1HB ARG 28 -8.154 -0.159 7.729 167 HB3 ARG 28 2HB ARG 28 -7.128 -1.396 8.443 168 HG2 ARG 28 1HG ARG 28 -8.045 -0.474 10.319 169 HG3 ARG 28 2HG ARG 28 -6.579 0.497 10.170 170 HD2 ARG 28 1HD ARG 28 -8.012 2.128 8.822 171 HD3 ARG 28 2HD ARG 28 -9.398 1.235 9.446 172 HE ARG 28 HE ARG 28 -8.011 1.834 11.682 173 HH11 ARG 28 1HH1 ARG 28 -9.130 3.745 8.996 174 HH12 ARG 28 2HH1 ARG 28 -9.321 5.189 9.934 175 HH21 ARG 28 1HH2 ARG 28 -8.259 3.728 12.928 176 HH22 ARG 28 2HH2 ARG 28 -8.825 5.178 12.171 177 H HIS 29 H HIS 29 -4.987 -2.020 7.836 178 HA HIS 29 HA HIS 29 -3.429 -1.866 10.075 179 HB2 HIS 29 1HB HIS 29 -3.462 -3.992 9.195 180 HB3 HIS 29 2HB HIS 29 -3.221 -3.428 7.544 181 HD1 HIS 29 1HD HIS 29 -1.500 -5.119 10.172 182 HD2 HIS 29 2HD HIS 29 -0.405 -2.408 7.221 183 HE1 HIS 29 1HE HIS 29 0.996 -5.336 9.952 184 H THR 30 H THR 30 -2.492 -0.931 6.781 185 HA THR 30 HA THR 30 0.159 -0.215 7.350 186 HB THR 30 HB THR 30 -1.382 1.296 5.280 187 HG1 THR 30 1HG THR 30 -0.908 -1.493 5.334 188 HG21 THR 30 3HG2 THR 30 1.371 0.123 5.546 189 HG22 THR 30 1HG2 THR 30 0.908 1.802 5.272 190 HG23 THR 30 2HG2 THR 30 0.727 0.616 3.980 191 H LEU 31 H LEU 31 -2.847 1.466 7.850 192 HA LEU 31 HA LEU 31 -1.633 4.042 8.266 193 HB2 LEU 31 1HB LEU 31 -4.387 2.919 8.602 194 HB3 LEU 31 2HB LEU 31 -3.982 4.501 9.265 195 HG LEU 31 HG LEU 31 -3.163 4.933 6.785 196 HD11 LEU 31 1HD1 LEU 31 -5.152 3.767 5.431 197 HD12 LEU 31 2HD1 LEU 31 -4.843 2.507 6.624 198 HD13 LEU 31 3HD1 LEU 31 -3.541 3.062 5.572 199 HD21 LEU 31 3HD2 LEU 31 -5.187 6.075 6.394 200 HD22 LEU 31 1HD2 LEU 31 -4.978 6.068 8.145 201 HD23 LEU 31 2HD2 LEU 31 -6.109 4.946 7.389 202 H GLN 32 H GLN 32 -3.138 1.592 10.362 203 HA GLN 32 HA GLN 32 -2.390 2.988 12.761 204 HB2 GLN 32 1HB GLN 32 -4.407 1.401 12.381 205 HB3 GLN 32 2HB GLN 32 -3.247 0.111 12.666 206 HG2 GLN 32 1HG GLN 32 -4.058 2.298 14.560 207 HG3 GLN 32 2HG GLN 32 -4.358 0.568 14.715 208 HE21 GLN 32 1HE2 GLN 32 -2.445 3.060 15.708 209 HE22 GLN 32 2HE2 GLN 32 -1.080 2.165 16.272 210 H THR 33 H THR 33 -1.508 -0.217 11.459 211 HA THR 33 HA THR 33 0.526 -0.823 13.221 212 HB THR 33 HB THR 33 0.686 -1.523 10.294 213 HG1 THR 33 1HG THR 33 -1.405 -2.031 10.869 214 HG21 THR 33 3HG2 THR 33 2.048 -2.352 12.694 215 HG22 THR 33 1HG2 THR 33 2.387 -2.772 11.016 216 HG23 THR 33 2HG2 THR 33 1.226 -3.721 11.945 217 H HIS 34 H HIS 34 0.771 0.919 10.132 218 HA HIS 34 HA HIS 34 3.450 1.827 10.957 219 HB2 HIS 34 1HB HIS 34 2.415 1.664 8.123 220 HB3 HIS 34 2HB HIS 34 4.067 1.989 8.639 221 HD1 HIS 34 1HD HIS 34 4.272 -0.353 10.719 222 HD2 HIS 34 2HD HIS 34 2.883 -0.706 6.819 223 HE1 HIS 34 1HE HIS 34 4.596 -2.770 10.105 224 H SER 35 H SER 35 4.014 3.998 10.586 225 HA SER 35 HA SER 35 1.720 5.789 10.115 226 HB2 SER 35 1HB SER 35 2.838 5.604 12.497 227 HB3 SER 35 2HB SER 35 4.053 6.660 11.776 228 HG SER 35 HG SER 35 1.315 7.147 12.222 229 H ASP 36 H ASP 36 2.221 5.955 7.898 230 HA ASP 36 HA ASP 36 4.647 7.530 7.331 231 HB2 ASP 36 1HB ASP 36 4.404 6.538 4.971 232 HB3 ASP 36 2HB ASP 36 5.022 5.483 6.239 233 H LYS 37 H LYS 37 1.547 6.740 5.748 234 HA LYS 37 HA LYS 37 1.371 9.233 4.415 235 HB2 LYS 37 1HB LYS 37 -0.686 7.099 4.989 236 HB3 LYS 37 2HB LYS 37 -1.026 8.527 4.020 237 HG2 LYS 37 1HG LYS 37 0.522 7.869 2.349 238 HG3 LYS 37 2HG LYS 37 1.179 6.588 3.371 239 HD2 LYS 37 1HD LYS 37 -0.238 5.506 1.827 240 HD3 LYS 37 2HD LYS 37 -1.148 5.571 3.338 241 HE2 LYS 37 1HE LYS 37 -2.594 6.160 1.497 242 HE3 LYS 37 2HE LYS 37 -2.319 7.579 2.507 243 HZ1 LYS 37 3HZ LYS 37 -1.898 7.344 -0.221 244 HZ2 LYS 37 1HZ LYS 37 -0.360 7.448 0.477 245 HZ3 LYS 37 2HZ LYS 37 -1.505 8.658 0.770 246 H SER 38 H SER 38 -0.257 7.945 7.301 247 HA SER 38 HA SER 38 -0.801 10.717 8.120 248 HB2 SER 38 1HB SER 38 -3.006 10.166 8.857 249 HB3 SER 38 2HB SER 38 -2.858 9.544 7.213 250 HG SER 38 HG SER 38 -3.525 8.204 9.368 251 H GLY 39 H GLY 39 -1.584 10.662 10.540 252 HA2 GLY 39 1HA GLY 39 0.059 8.714 12.025 253 HA3 GLY 39 2HA GLY 39 0.190 10.434 12.362 254 HA PRO 40 HA PRO 40 -2.940 10.006 15.405 255 HB2 PRO 40 1HB PRO 40 -3.932 12.533 15.433 256 HB3 PRO 40 2HB PRO 40 -2.354 12.113 16.110 257 HG2 PRO 40 1HG PRO 40 -3.013 13.326 13.454 258 HG3 PRO 40 2HG PRO 40 -1.719 13.753 14.589 259 HD2 PRO 40 1HD PRO 40 -1.286 12.234 12.389 260 HD3 PRO 40 2HD PRO 40 -0.367 12.020 13.893 261 H SER 41 H SER 41 -4.337 8.572 14.265 262 HA SER 41 HA SER 41 -6.580 9.890 12.883 263 HB2 SER 41 1HB SER 41 -5.318 7.184 12.528 264 HB3 SER 41 2HB SER 41 -6.972 7.483 11.997 265 HG SER 41 HG SER 41 -5.578 7.901 10.295 266 H SER 42 H SER 42 -8.197 10.173 14.278 267 HA SER 42 HA SER 42 -9.349 7.873 15.591 268 HB2 SER 42 1HB SER 42 -9.414 9.362 17.788 269 HB3 SER 42 2HB SER 42 -8.050 8.298 17.447 270 HG SER 42 HG SER 42 -8.208 11.075 17.379 271 H GLY 43 H GLY 43 -11.479 8.015 15.370 272 HA2 GLY 43 1HA GLY 43 -12.652 10.624 14.734 273 HA3 GLY 43 2HA GLY 43 -13.396 9.058 14.446 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -12.531 -25.534 -4.656 2 HA2 GLY 1 1HA GLY 1 -10.066 -25.092 -3.102 3 HA3 GLY 1 2HA GLY 1 -11.294 -23.875 -3.417 4 H SER 2 H SER 2 -10.050 -25.101 -0.913 5 HA SER 2 HA SER 2 -11.629 -26.671 0.592 6 HB2 SER 2 1HB SER 2 -10.849 -25.529 2.552 7 HB3 SER 2 2HB SER 2 -9.559 -25.439 1.353 8 HG SER 2 HG SER 2 -10.404 -23.440 2.605 9 H SER 3 H SER 3 -13.436 -26.448 1.950 10 HA SER 3 HA SER 3 -15.492 -24.752 0.887 11 HB2 SER 3 1HB SER 3 -15.399 -26.805 3.089 12 HB3 SER 3 2HB SER 3 -16.830 -25.808 2.827 13 HG SER 3 HG SER 3 -15.730 -27.814 1.220 14 H GLY 4 H GLY 4 -13.825 -25.012 4.021 15 HA2 GLY 4 1HA GLY 4 -15.138 -22.998 5.396 16 HA3 GLY 4 2HA GLY 4 -13.460 -23.446 5.661 17 H SER 5 H SER 5 -11.965 -22.576 3.821 18 HA SER 5 HA SER 5 -11.920 -19.794 4.023 19 HB2 SER 5 1HB SER 5 -10.045 -21.494 3.361 20 HB3 SER 5 2HB SER 5 -10.605 -21.193 1.716 21 HG SER 5 HG SER 5 -9.859 -19.197 1.806 22 H SER 6 H SER 6 -13.625 -18.632 3.326 23 HA SER 6 HA SER 6 -14.364 -18.901 0.486 24 HB2 SER 6 1HB SER 6 -16.160 -18.286 2.843 25 HB3 SER 6 2HB SER 6 -16.656 -18.129 1.157 26 HG SER 6 HG SER 6 -17.181 -20.155 1.391 27 H GLY 7 H GLY 7 -12.877 -17.275 -0.093 28 HA2 GLY 7 1HA GLY 7 -13.644 -14.801 -0.620 29 HA3 GLY 7 2HA GLY 7 -13.234 -14.623 1.080 30 H ASN 8 H ASN 8 -12.086 -14.276 -1.992 31 HA ASN 8 HA ASN 8 -9.524 -15.206 -2.093 32 HB2 ASN 8 1HB ASN 8 -10.823 -12.717 -3.114 33 HB3 ASN 8 2HB ASN 8 -9.072 -12.861 -3.241 34 HD21 ASN 8 1HD2 ASN 8 -11.370 -12.908 -5.206 35 HD22 ASN 8 2HD2 ASN 8 -11.068 -14.309 -6.171 36 H GLY 9 H GLY 9 -7.781 -15.012 -0.853 37 HA2 GLY 9 1HA GLY 9 -7.539 -12.601 0.839 38 HA3 GLY 9 2HA GLY 9 -7.152 -14.208 1.437 39 H ALA 10 H ALA 10 -6.358 -12.511 -1.592 40 HA ALA 10 HA ALA 10 -3.550 -13.251 -1.165 41 HB1 ALA 10 3HB ALA 10 -5.175 -12.661 -3.603 42 HB2 ALA 10 1HB ALA 10 -3.420 -12.490 -3.647 43 HB3 ALA 10 2HB ALA 10 -4.145 -14.048 -3.250 44 H PHE 11 H PHE 11 -3.262 -11.525 0.394 45 HA PHE 11 HA PHE 11 -2.353 -9.103 -0.882 46 HB2 PHE 11 1HB PHE 11 -4.391 -8.827 1.327 47 HB3 PHE 11 2HB PHE 11 -3.707 -7.553 0.323 48 HD1 PHE 11 2HD PHE 11 -4.376 -7.356 -2.047 49 HD2 PHE 11 1HD PHE 11 -6.246 -10.111 0.603 50 HE1 PHE 11 2HE PHE 11 -6.261 -7.577 -3.613 51 HE2 PHE 11 1HE PHE 11 -8.134 -10.338 -0.958 52 HZ PHE 11 HZ PHE 11 -8.144 -9.068 -3.069 53 H PHE 12 H PHE 12 -0.482 -8.581 0.024 54 HA PHE 12 HA PHE 12 -0.064 -9.208 2.869 55 HB2 PHE 12 1HB PHE 12 2.317 -9.736 2.289 56 HB3 PHE 12 2HB PHE 12 1.148 -10.879 1.636 57 HD1 PHE 12 1HD PHE 12 3.425 -8.112 0.814 58 HD2 PHE 12 2HD PHE 12 0.851 -11.140 -0.710 59 HE1 PHE 12 1HE PHE 12 4.347 -7.757 -1.440 60 HE2 PHE 12 2HE PHE 12 1.770 -10.791 -2.966 61 HZ PHE 12 HZ PHE 12 3.521 -9.098 -3.333 62 H CYS 13 H CYS 13 0.879 -7.651 4.075 63 HA CYS 13 HA CYS 13 0.915 -5.004 3.204 64 HB2 CYS 13 1HB CYS 13 0.755 -5.629 5.568 65 HB3 CYS 13 2HB CYS 13 2.406 -6.241 5.529 66 H ASN 14 H ASN 14 2.726 -3.526 3.006 67 HA ASN 14 HA ASN 14 4.887 -4.731 1.468 68 HB2 ASN 14 1HB ASN 14 3.671 -2.785 0.545 69 HB3 ASN 14 2HB ASN 14 4.212 -1.814 1.911 70 HD21 ASN 14 1HD2 ASN 14 4.928 -2.922 -1.190 71 HD22 ASN 14 2HD2 ASN 14 6.548 -2.332 -1.297 72 H GLU 15 H GLU 15 4.592 -2.320 4.083 73 HA GLU 15 HA GLU 15 7.294 -2.135 4.711 74 HB2 GLU 15 1HB GLU 15 4.997 -1.914 6.662 75 HB3 GLU 15 2HB GLU 15 6.599 -1.212 6.841 76 HG2 GLU 15 1HG GLU 15 5.006 -0.468 4.451 77 HG3 GLU 15 2HG GLU 15 4.539 0.205 6.012 78 H CYS 16 H CYS 16 4.815 -4.190 6.237 79 HA CYS 16 HA CYS 16 6.994 -5.891 7.262 80 HB2 CYS 16 1HB CYS 16 5.696 -6.406 9.170 81 HB3 CYS 16 2HB CYS 16 5.527 -4.667 8.955 82 H ASP 17 H ASP 17 5.878 -8.165 7.879 83 HA ASP 17 HA ASP 17 4.600 -9.089 5.391 84 HB2 ASP 17 1HB ASP 17 6.343 -10.640 7.318 85 HB3 ASP 17 2HB ASP 17 5.615 -11.283 5.848 86 H CYS 18 H CYS 18 2.471 -9.211 5.767 87 HA CYS 18 HA CYS 18 1.568 -10.972 7.908 88 HB2 CYS 18 1HB CYS 18 1.526 -8.509 8.659 89 HB3 CYS 18 2HB CYS 18 0.202 -8.317 7.517 90 HG CYS 18 HG CYS 18 -1.510 -8.823 9.364 91 H ARG 19 H ARG 19 -0.766 -11.529 7.664 92 HA ARG 19 HA ARG 19 -1.503 -11.557 4.811 93 HB2 ARG 19 1HB ARG 19 -2.483 -13.705 5.118 94 HB3 ARG 19 2HB ARG 19 -0.893 -13.764 5.865 95 HG2 ARG 19 1HG ARG 19 -1.848 -13.570 8.055 96 HG3 ARG 19 2HG ARG 19 -3.454 -13.299 7.375 97 HD2 ARG 19 1HD ARG 19 -3.740 -15.497 6.820 98 HD3 ARG 19 2HD ARG 19 -2.014 -15.778 6.598 99 HE ARG 19 HE ARG 19 -1.895 -16.432 8.779 100 HH11 ARG 19 1HH1 ARG 19 -4.794 -14.557 8.335 101 HH12 ARG 19 2HH1 ARG 19 -5.384 -14.848 9.938 102 HH21 ARG 19 1HH2 ARG 19 -2.661 -16.823 10.892 103 HH22 ARG 19 2HH2 ARG 19 -4.170 -16.136 11.392 104 H PHE 20 H PHE 20 -3.603 -11.122 4.218 105 HA PHE 20 HA PHE 20 -5.512 -10.434 6.332 106 HB2 PHE 20 1HB PHE 20 -4.863 -8.635 3.986 107 HB3 PHE 20 2HB PHE 20 -6.110 -8.343 5.194 108 HD1 PHE 20 2HD PHE 20 -5.505 -7.725 7.480 109 HD2 PHE 20 1HD PHE 20 -2.553 -8.238 4.457 110 HE1 PHE 20 2HE PHE 20 -3.868 -6.540 8.883 111 HE2 PHE 20 1HE PHE 20 -0.911 -7.054 5.856 112 HZ PHE 20 HZ PHE 20 -1.568 -6.202 8.071 113 H SER 21 H SER 21 -7.681 -10.637 5.763 114 HA SER 21 HA SER 21 -8.170 -12.435 3.552 115 HB2 SER 21 1HB SER 21 -9.735 -11.467 5.905 116 HB3 SER 21 2HB SER 21 -10.618 -12.115 4.523 117 HG SER 21 HG SER 21 -10.205 -13.858 5.761 118 H GLU 22 H GLU 22 -9.077 -9.150 4.496 119 HA GLU 22 HA GLU 22 -10.170 -8.748 1.789 120 HB2 GLU 22 1HB GLU 22 -11.757 -8.502 3.754 121 HB3 GLU 22 2HB GLU 22 -10.822 -7.088 4.221 122 HG2 GLU 22 1HG GLU 22 -12.519 -6.126 3.030 123 HG3 GLU 22 2HG GLU 22 -11.291 -6.315 1.780 124 H GLU 23 H GLU 23 -9.223 -7.288 0.510 125 HA GLU 23 HA GLU 23 -6.741 -6.250 0.881 126 HB2 GLU 23 1HB GLU 23 -7.966 -6.215 -1.263 127 HB3 GLU 23 2HB GLU 23 -8.970 -4.905 -0.657 128 HG2 GLU 23 1HG GLU 23 -6.701 -3.691 -0.299 129 HG3 GLU 23 2HG GLU 23 -6.099 -4.872 -1.461 130 H ALA 24 H ALA 24 -9.798 -4.608 1.642 131 HA ALA 24 HA ALA 24 -8.899 -2.149 2.440 132 HB1 ALA 24 3HB ALA 24 -11.221 -3.815 3.059 133 HB2 ALA 24 1HB ALA 24 -10.827 -2.636 4.310 134 HB3 ALA 24 2HB ALA 24 -11.127 -2.101 2.656 135 H SER 25 H SER 25 -9.420 -4.882 4.680 136 HA SER 25 HA SER 25 -8.488 -3.934 7.003 137 HB2 SER 25 1HB SER 25 -9.114 -6.382 6.275 138 HB3 SER 25 2HB SER 25 -7.367 -6.573 6.130 139 HG SER 25 HG SER 25 -8.126 -7.128 8.219 140 H LEU 26 H LEU 26 -6.406 -5.070 4.362 141 HA LEU 26 HA LEU 26 -3.947 -4.666 5.648 142 HB2 LEU 26 1HB LEU 26 -4.303 -5.956 3.554 143 HB3 LEU 26 2HB LEU 26 -4.528 -4.431 2.699 144 HG LEU 26 HG LEU 26 -1.987 -4.939 4.193 145 HD11 LEU 26 1HD1 LEU 26 -1.546 -6.721 2.933 146 HD12 LEU 26 2HD1 LEU 26 -1.438 -5.603 1.573 147 HD13 LEU 26 3HD1 LEU 26 -2.952 -6.444 1.905 148 HD21 LEU 26 3HD2 LEU 26 -1.343 -3.640 1.933 149 HD22 LEU 26 1HD2 LEU 26 -1.832 -2.824 3.418 150 HD23 LEU 26 2HD2 LEU 26 -3.008 -3.091 2.131 151 H LYS 27 H LYS 27 -5.824 -2.531 3.520 152 HA LYS 27 HA LYS 27 -4.072 -0.399 3.343 153 HB2 LYS 27 1HB LYS 27 -7.031 -0.687 3.202 154 HB3 LYS 27 2HB LYS 27 -6.383 0.940 3.361 155 HG2 LYS 27 1HG LYS 27 -6.703 0.479 1.044 156 HG3 LYS 27 2HG LYS 27 -4.967 0.508 1.365 157 HD2 LYS 27 1HD LYS 27 -5.317 -2.076 1.704 158 HD3 LYS 27 2HD LYS 27 -6.743 -1.795 0.703 159 HE2 LYS 27 1HE LYS 27 -5.017 -2.382 -0.792 160 HE3 LYS 27 2HE LYS 27 -5.194 -0.634 -0.931 161 HZ1 LYS 27 3HZ LYS 27 -3.341 -0.928 1.029 162 HZ2 LYS 27 1HZ LYS 27 -3.008 -0.577 -0.592 163 HZ3 LYS 27 2HZ LYS 27 -2.944 -2.175 -0.043 164 H ARG 28 H ARG 28 -6.607 -0.927 5.789 165 HA ARG 28 HA ARG 28 -6.070 1.376 7.303 166 HB2 ARG 28 1HB ARG 28 -8.062 -0.315 7.396 167 HB3 ARG 28 2HB ARG 28 -7.061 -1.150 8.576 168 HG2 ARG 28 1HG ARG 28 -6.969 0.919 9.915 169 HG3 ARG 28 2HG ARG 28 -8.056 1.685 8.755 170 HD2 ARG 28 1HD ARG 28 -8.701 -0.815 10.311 171 HD3 ARG 28 2HD ARG 28 -9.198 0.810 10.783 172 HE ARG 28 HE ARG 28 -10.016 0.222 8.130 173 HH11 ARG 28 1HH1 ARG 28 -10.778 -0.418 11.466 174 HH12 ARG 28 2HH1 ARG 28 -12.458 -0.710 11.161 175 HH21 ARG 28 1HH2 ARG 28 -12.226 -0.161 7.716 176 HH22 ARG 28 2HH2 ARG 28 -13.281 -0.565 9.028 177 H HIS 29 H HIS 29 -4.882 -1.952 7.625 178 HA HIS 29 HA HIS 29 -3.447 -1.744 9.965 179 HB2 HIS 29 1HB HIS 29 -3.465 -3.896 9.137 180 HB3 HIS 29 2HB HIS 29 -3.127 -3.378 7.488 181 HD1 HIS 29 1HD HIS 29 -1.507 -4.582 10.565 182 HD2 HIS 29 2HD HIS 29 -0.353 -2.814 6.987 183 HE1 HIS 29 1HE HIS 29 0.979 -4.930 10.413 184 H THR 30 H THR 30 -2.174 -1.187 6.680 185 HA THR 30 HA THR 30 0.380 -0.395 7.308 186 HB THR 30 HB THR 30 -1.335 0.835 5.141 187 HG1 THR 30 1HG THR 30 -1.342 -1.331 4.758 188 HG21 THR 30 3HG2 THR 30 1.322 1.365 5.950 189 HG22 THR 30 1HG2 THR 30 0.483 1.962 4.519 190 HG23 THR 30 2HG2 THR 30 1.411 0.464 4.436 191 H LEU 31 H LEU 31 -2.594 1.412 7.634 192 HA LEU 31 HA LEU 31 -1.183 3.877 8.259 193 HB2 LEU 31 1HB LEU 31 -4.000 3.095 7.765 194 HB3 LEU 31 2HB LEU 31 -3.718 4.494 8.798 195 HG LEU 31 HG LEU 31 -4.146 4.941 6.335 196 HD11 LEU 31 1HD1 LEU 31 -1.609 5.986 7.585 197 HD12 LEU 31 2HD1 LEU 31 -3.235 6.618 7.843 198 HD13 LEU 31 3HD1 LEU 31 -2.487 6.735 6.250 199 HD21 LEU 31 3HD2 LEU 31 -2.903 3.379 5.162 200 HD22 LEU 31 1HD2 LEU 31 -1.490 3.571 6.200 201 HD23 LEU 31 2HD2 LEU 31 -1.906 4.829 5.036 202 H GLN 32 H GLN 32 -2.530 1.170 9.878 203 HA GLN 32 HA GLN 32 -2.695 2.570 12.433 204 HB2 GLN 32 1HB GLN 32 -4.475 0.963 11.760 205 HB3 GLN 32 2HB GLN 32 -3.281 -0.327 11.805 206 HG2 GLN 32 1HG GLN 32 -4.574 -0.351 13.827 207 HG3 GLN 32 2HG GLN 32 -2.916 0.122 14.193 208 HE21 GLN 32 1HE2 GLN 32 -2.802 1.663 15.643 209 HE22 GLN 32 2HE2 GLN 32 -3.922 2.963 15.849 210 H THR 33 H THR 33 -1.281 -0.529 11.371 211 HA THR 33 HA THR 33 0.475 -0.804 13.527 212 HB THR 33 HB THR 33 0.699 -1.903 10.720 213 HG1 THR 33 1HG THR 33 -0.098 -3.199 13.127 214 HG21 THR 33 3HG2 THR 33 2.340 -3.442 11.529 215 HG22 THR 33 1HG2 THR 33 2.152 -2.861 13.183 216 HG23 THR 33 2HG2 THR 33 2.881 -1.820 11.960 217 H HIS 34 H HIS 34 1.069 0.505 10.272 218 HA HIS 34 HA HIS 34 3.664 1.516 11.193 219 HB2 HIS 34 1HB HIS 34 2.577 1.431 8.373 220 HB3 HIS 34 2HB HIS 34 4.230 1.801 8.856 221 HD1 HIS 34 1HD HIS 34 5.736 -0.185 9.549 222 HD2 HIS 34 2HD HIS 34 1.918 -1.286 8.336 223 HE1 HIS 34 1HE HIS 34 5.830 -2.676 9.209 224 H SER 35 H SER 35 2.750 3.231 12.441 225 HA SER 35 HA SER 35 1.083 5.220 11.254 226 HB2 SER 35 1HB SER 35 2.756 5.330 13.776 227 HB3 SER 35 2HB SER 35 1.518 6.501 13.321 228 HG SER 35 HG SER 35 0.942 3.745 13.545 229 H ASP 36 H ASP 36 1.800 6.443 9.636 230 HA ASP 36 HA ASP 36 4.463 6.992 9.019 231 HB2 ASP 36 1HB ASP 36 2.155 8.807 8.321 232 HB3 ASP 36 2HB ASP 36 3.642 8.549 7.413 233 H LYS 37 H LYS 37 2.077 9.071 10.652 234 HA LYS 37 HA LYS 37 3.675 11.284 11.102 235 HB2 LYS 37 1HB LYS 37 1.152 10.840 11.623 236 HB3 LYS 37 2HB LYS 37 1.750 10.355 13.204 237 HG2 LYS 37 1HG LYS 37 2.574 12.501 13.672 238 HG3 LYS 37 2HG LYS 37 2.446 13.007 11.986 239 HD2 LYS 37 1HD LYS 37 0.062 13.037 12.100 240 HD3 LYS 37 2HD LYS 37 0.072 12.264 13.687 241 HE2 LYS 37 1HE LYS 37 -0.354 14.573 14.043 242 HE3 LYS 37 2HE LYS 37 1.310 14.276 14.544 243 HZ1 LYS 37 3HZ LYS 37 2.010 15.094 12.328 244 HZ2 LYS 37 1HZ LYS 37 1.246 16.273 13.271 245 HZ3 LYS 37 2HZ LYS 37 0.406 15.525 12.008 246 H SER 38 H SER 38 3.307 8.377 13.101 247 HA SER 38 HA SER 38 4.915 9.166 15.242 248 HB2 SER 38 1HB SER 38 3.407 7.100 15.047 249 HB3 SER 38 2HB SER 38 4.769 6.326 14.236 250 HG SER 38 HG SER 38 4.676 7.360 16.873 251 H GLY 39 H GLY 39 7.082 8.414 15.807 252 HA2 GLY 39 1HA GLY 39 8.811 8.082 13.434 253 HA3 GLY 39 2HA GLY 39 9.221 9.197 14.729 254 HA PRO 40 HA PRO 40 11.440 5.262 15.618 255 HB2 PRO 40 1HB PRO 40 13.705 6.483 16.483 256 HB3 PRO 40 2HB PRO 40 13.388 6.144 14.778 257 HG2 PRO 40 1HG PRO 40 13.040 8.700 16.296 258 HG3 PRO 40 2HG PRO 40 13.719 8.443 14.678 259 HD2 PRO 40 1HD PRO 40 11.187 9.317 15.074 260 HD3 PRO 40 2HD PRO 40 11.641 8.299 13.692 261 H SER 41 H SER 41 10.775 8.155 17.446 262 HA SER 41 HA SER 41 11.116 6.650 19.955 263 HB2 SER 41 1HB SER 41 11.312 8.826 21.077 264 HB3 SER 41 2HB SER 41 12.517 8.670 19.799 265 HG SER 41 HG SER 41 11.585 10.670 19.588 266 H SER 42 H SER 42 9.541 7.030 21.648 267 HA SER 42 HA SER 42 7.349 6.743 22.284 268 HB2 SER 42 1HB SER 42 7.498 9.493 21.070 269 HB3 SER 42 2HB SER 42 6.006 8.902 21.801 270 HG SER 42 HG SER 42 7.684 8.351 23.602 271 H GLY 43 H GLY 43 7.797 5.352 19.928 272 HA2 GLY 43 1HA GLY 43 5.112 5.392 18.803 273 HA3 GLY 43 2HA GLY 43 6.423 5.690 17.671 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -9.827 -23.632 3.185 2 HA2 GLY 1 1HA GLY 1 -7.729 -25.468 2.998 3 HA3 GLY 1 2HA GLY 1 -8.119 -24.952 1.364 4 H SER 2 H SER 2 -6.880 -23.961 4.475 5 HA SER 2 HA SER 2 -6.593 -21.277 4.303 6 HB2 SER 2 1HB SER 2 -4.411 -21.543 5.514 7 HB3 SER 2 2HB SER 2 -5.733 -22.481 6.210 8 HG SER 2 HG SER 2 -4.233 -23.990 6.060 9 H SER 3 H SER 3 -4.237 -23.582 2.938 10 HA SER 3 HA SER 3 -2.989 -21.457 1.408 11 HB2 SER 3 1HB SER 3 -1.723 -23.355 2.552 12 HB3 SER 3 2HB SER 3 -2.330 -24.400 1.268 13 HG SER 3 HG SER 3 -0.399 -22.419 1.185 14 H GLY 4 H GLY 4 -4.513 -20.842 -0.113 15 HA2 GLY 4 1HA GLY 4 -5.094 -22.880 -2.172 16 HA3 GLY 4 2HA GLY 4 -6.297 -21.704 -1.664 17 H SER 5 H SER 5 -5.355 -22.106 -4.331 18 HA SER 5 HA SER 5 -3.945 -19.563 -4.807 19 HB2 SER 5 1HB SER 5 -2.911 -21.851 -5.541 20 HB3 SER 5 2HB SER 5 -4.080 -21.751 -6.857 21 HG SER 5 HG SER 5 -2.770 -20.413 -7.783 22 H SER 6 H SER 6 -4.547 -18.403 -6.773 23 HA SER 6 HA SER 6 -6.127 -17.277 -7.971 24 HB2 SER 6 1HB SER 6 -6.690 -20.164 -8.488 25 HB3 SER 6 2HB SER 6 -7.837 -18.968 -9.091 26 HG SER 6 HG SER 6 -6.010 -17.936 -10.109 27 H GLY 7 H GLY 7 -6.654 -17.209 -5.280 28 HA2 GLY 7 1HA GLY 7 -9.564 -17.652 -5.094 29 HA3 GLY 7 2HA GLY 7 -8.475 -17.541 -3.719 30 H ASN 8 H ASN 8 -10.611 -16.039 -3.487 31 HA ASN 8 HA ASN 8 -9.988 -13.360 -4.492 32 HB2 ASN 8 1HB ASN 8 -12.260 -12.806 -3.495 33 HB3 ASN 8 2HB ASN 8 -12.267 -13.930 -4.852 34 HD21 ASN 8 1HD2 ASN 8 -14.407 -14.421 -3.943 35 HD22 ASN 8 2HD2 ASN 8 -14.512 -15.614 -2.698 36 H GLY 9 H GLY 9 -8.650 -12.215 -3.254 37 HA2 GLY 9 1HA GLY 9 -8.645 -10.867 -1.176 38 HA3 GLY 9 2HA GLY 9 -9.023 -12.357 -0.325 39 H ALA 10 H ALA 10 -6.589 -11.279 -2.702 40 HA ALA 10 HA ALA 10 -4.543 -12.584 -1.029 41 HB1 ALA 10 3HB ALA 10 -3.530 -13.412 -2.859 42 HB2 ALA 10 1HB ALA 10 -5.112 -13.180 -3.603 43 HB3 ALA 10 2HB ALA 10 -3.849 -11.967 -3.819 44 H PHE 11 H PHE 11 -4.171 -10.758 0.268 45 HA PHE 11 HA PHE 11 -2.553 -8.703 -1.044 46 HB2 PHE 11 1HB PHE 11 -4.711 -8.045 0.970 47 HB3 PHE 11 2HB PHE 11 -3.649 -6.901 0.155 48 HD1 PHE 11 2HD PHE 11 -3.710 -7.507 -2.587 49 HD2 PHE 11 1HD PHE 11 -6.869 -7.853 0.245 50 HE1 PHE 11 2HE PHE 11 -5.357 -7.270 -4.400 51 HE2 PHE 11 1HE PHE 11 -8.521 -7.617 -1.564 52 HZ PHE 11 HZ PHE 11 -7.765 -7.324 -3.890 53 H PHE 12 H PHE 12 -0.629 -8.803 -0.110 54 HA PHE 12 HA PHE 12 -0.499 -9.296 2.792 55 HB2 PHE 12 1HB PHE 12 1.784 -10.251 2.335 56 HB3 PHE 12 2HB PHE 12 0.450 -11.189 1.673 57 HD1 PHE 12 2HD PHE 12 -0.059 -11.030 -0.769 58 HD2 PHE 12 1HD PHE 12 3.458 -9.359 0.948 59 HE1 PHE 12 2HE PHE 12 0.979 -10.935 -2.997 60 HE2 PHE 12 1HE PHE 12 4.502 -9.260 -1.277 61 HZ PHE 12 HZ PHE 12 3.263 -10.050 -3.254 62 H CYS 13 H CYS 13 0.611 -7.887 4.027 63 HA CYS 13 HA CYS 13 1.279 -5.345 3.009 64 HB2 CYS 13 1HB CYS 13 0.585 -5.765 5.351 65 HB3 CYS 13 2HB CYS 13 2.115 -6.588 5.638 66 H ASN 14 H ASN 14 3.114 -4.529 2.207 67 HA ASN 14 HA ASN 14 5.356 -6.314 1.791 68 HB2 ASN 14 1HB ASN 14 5.177 -3.421 0.950 69 HB3 ASN 14 2HB ASN 14 6.172 -4.695 0.250 70 HD21 ASN 14 1HD2 ASN 14 3.915 -2.839 -0.692 71 HD22 ASN 14 2HD2 ASN 14 2.870 -3.901 -1.566 72 H GLU 15 H GLU 15 4.721 -3.243 3.443 73 HA GLU 15 HA GLU 15 7.264 -2.594 4.284 74 HB2 GLU 15 1HB GLU 15 4.671 -2.270 5.806 75 HB3 GLU 15 2HB GLU 15 6.175 -1.446 6.193 76 HG2 GLU 15 1HG GLU 15 6.077 -0.530 3.811 77 HG3 GLU 15 2HG GLU 15 4.402 -1.078 3.809 78 H CYS 16 H CYS 16 4.876 -4.482 6.146 79 HA CYS 16 HA CYS 16 7.126 -5.686 7.621 80 HB2 CYS 16 1HB CYS 16 5.780 -5.842 9.547 81 HB3 CYS 16 2HB CYS 16 5.429 -4.245 8.895 82 H ASP 17 H ASP 17 6.383 -7.883 8.625 83 HA ASP 17 HA ASP 17 5.557 -9.539 6.380 84 HB2 ASP 17 1HB ASP 17 6.158 -11.406 8.073 85 HB3 ASP 17 2HB ASP 17 7.461 -10.427 7.402 86 H CYS 18 H CYS 18 3.419 -9.720 6.129 87 HA CYS 18 HA CYS 18 1.840 -11.109 8.003 88 HB2 CYS 18 1HB CYS 18 2.045 -8.649 8.921 89 HB3 CYS 18 2HB CYS 18 0.827 -8.310 7.698 90 HG CYS 18 HG CYS 18 -0.671 -8.567 9.923 91 H ARG 19 H ARG 19 -0.476 -11.228 7.305 92 HA ARG 19 HA ARG 19 -0.795 -10.630 4.444 93 HB2 ARG 19 1HB ARG 19 -1.917 -12.836 4.172 94 HB3 ARG 19 2HB ARG 19 -0.207 -12.962 4.560 95 HG2 ARG 19 1HG ARG 19 -0.600 -13.811 6.651 96 HG3 ARG 19 2HG ARG 19 -2.192 -13.060 6.775 97 HD2 ARG 19 1HD ARG 19 -3.153 -14.662 5.306 98 HD3 ARG 19 2HD ARG 19 -1.569 -15.288 4.851 99 HE ARG 19 HE ARG 19 -2.081 -15.544 7.650 100 HH11 ARG 19 1HH1 ARG 19 -2.675 -16.977 4.534 101 HH12 ARG 19 2HH1 ARG 19 -2.917 -18.571 5.167 102 HH21 ARG 19 1HH2 ARG 19 -2.399 -17.638 8.497 103 HH22 ARG 19 2HH2 ARG 19 -2.761 -18.946 7.422 104 H PHE 20 H PHE 20 -3.007 -10.515 3.718 105 HA PHE 20 HA PHE 20 -5.085 -10.401 5.744 106 HB2 PHE 20 1HB PHE 20 -4.325 -7.975 4.103 107 HB3 PHE 20 2HB PHE 20 -5.756 -8.101 5.121 108 HD1 PHE 20 2HD PHE 20 -5.467 -8.367 7.596 109 HD2 PHE 20 1HD PHE 20 -2.238 -7.392 5.001 110 HE1 PHE 20 2HE PHE 20 -4.168 -7.559 9.522 111 HE2 PHE 20 1HE PHE 20 -0.933 -6.583 6.924 112 HZ PHE 20 HZ PHE 20 -1.898 -6.664 9.188 113 H SER 21 H SER 21 -6.763 -11.433 4.913 114 HA SER 21 HA SER 21 -7.003 -11.806 2.057 115 HB2 SER 21 1HB SER 21 -8.836 -13.322 2.610 116 HB3 SER 21 2HB SER 21 -7.442 -13.666 3.633 117 HG SER 21 HG SER 21 -8.956 -13.529 5.122 118 H GLU 22 H GLU 22 -7.289 -9.119 2.814 119 HA GLU 22 HA GLU 22 -9.685 -8.444 1.480 120 HB2 GLU 22 1HB GLU 22 -10.759 -9.036 3.576 121 HB3 GLU 22 2HB GLU 22 -9.657 -7.997 4.469 122 HG2 GLU 22 1HG GLU 22 -11.706 -6.841 4.296 123 HG3 GLU 22 2HG GLU 22 -10.585 -6.060 3.183 124 H GLU 23 H GLU 23 -9.519 -6.441 0.641 125 HA GLU 23 HA GLU 23 -7.106 -5.018 0.850 126 HB2 GLU 23 1HB GLU 23 -8.921 -5.021 -1.021 127 HB3 GLU 23 2HB GLU 23 -9.645 -3.722 -0.083 128 HG2 GLU 23 1HG GLU 23 -7.467 -2.512 -0.225 129 HG3 GLU 23 2HG GLU 23 -6.912 -3.763 -1.335 130 H ALA 24 H ALA 24 -10.322 -4.352 2.201 131 HA ALA 24 HA ALA 24 -9.812 -1.914 3.408 132 HB1 ALA 24 3HB ALA 24 -12.040 -2.915 3.254 133 HB2 ALA 24 1HB ALA 24 -11.580 -4.122 4.456 134 HB3 ALA 24 2HB ALA 24 -11.666 -2.418 4.904 135 H SER 25 H SER 25 -9.493 -5.155 4.859 136 HA SER 25 HA SER 25 -8.602 -4.437 7.364 137 HB2 SER 25 1HB SER 25 -8.161 -6.830 5.628 138 HB3 SER 25 2HB SER 25 -7.213 -6.678 7.107 139 HG SER 25 HG SER 25 -9.051 -6.732 8.301 140 H LEU 26 H LEU 26 -6.546 -5.223 4.557 141 HA LEU 26 HA LEU 26 -4.098 -4.598 5.739 142 HB2 LEU 26 1HB LEU 26 -4.142 -5.816 3.697 143 HB3 LEU 26 2HB LEU 26 -5.004 -4.520 2.871 144 HG LEU 26 HG LEU 26 -2.861 -3.133 3.345 145 HD11 LEU 26 1HD1 LEU 26 -0.859 -4.285 3.674 146 HD12 LEU 26 2HD1 LEU 26 -1.591 -5.849 3.317 147 HD13 LEU 26 3HD1 LEU 26 -1.971 -5.023 4.828 148 HD21 LEU 26 3HD2 LEU 26 -3.720 -4.791 1.213 149 HD22 LEU 26 1HD2 LEU 26 -1.966 -4.937 1.339 150 HD23 LEU 26 2HD2 LEU 26 -2.707 -3.348 1.144 151 H LYS 27 H LYS 27 -5.862 -2.577 3.384 152 HA LYS 27 HA LYS 27 -4.432 -0.291 3.456 153 HB2 LYS 27 1HB LYS 27 -7.361 -0.806 3.237 154 HB3 LYS 27 2HB LYS 27 -6.825 0.860 3.410 155 HG2 LYS 27 1HG LYS 27 -5.554 0.749 1.408 156 HG3 LYS 27 2HG LYS 27 -5.767 -1.000 1.298 157 HD2 LYS 27 1HD LYS 27 -7.323 -0.215 -0.228 158 HD3 LYS 27 2HD LYS 27 -8.300 -0.429 1.226 159 HE2 LYS 27 1HE LYS 27 -8.313 1.883 1.679 160 HE3 LYS 27 2HE LYS 27 -7.006 2.195 0.537 161 HZ1 LYS 27 3HZ LYS 27 -9.852 1.852 0.051 162 HZ2 LYS 27 1HZ LYS 27 -8.819 1.146 -1.088 163 HZ3 LYS 27 2HZ LYS 27 -8.719 2.804 -0.769 164 H ARG 28 H ARG 28 -6.785 -1.302 5.899 165 HA ARG 28 HA ARG 28 -6.524 1.061 7.476 166 HB2 ARG 28 1HB ARG 28 -8.498 -0.512 7.485 167 HB3 ARG 28 2HB ARG 28 -7.504 -1.643 8.393 168 HG2 ARG 28 1HG ARG 28 -7.295 -0.058 10.208 169 HG3 ARG 28 2HG ARG 28 -8.198 1.147 9.287 170 HD2 ARG 28 1HD ARG 28 -9.255 -1.527 10.201 171 HD3 ARG 28 2HD ARG 28 -9.600 0.026 10.960 172 HE ARG 28 HE ARG 28 -11.056 0.524 9.240 173 HH11 ARG 28 1HH1 ARG 28 -9.259 -2.363 8.497 174 HH12 ARG 28 2HH1 ARG 28 -10.254 -2.792 7.146 175 HH21 ARG 28 1HH2 ARG 28 -12.374 -0.029 7.463 176 HH22 ARG 28 2HH2 ARG 28 -12.025 -1.463 6.557 177 H HIS 29 H HIS 29 -4.920 -2.048 7.389 178 HA HIS 29 HA HIS 29 -3.630 -1.862 9.904 179 HB2 HIS 29 1HB HIS 29 -3.595 -4.026 9.118 180 HB3 HIS 29 2HB HIS 29 -3.296 -3.531 7.454 181 HD1 HIS 29 1HD HIS 29 -1.623 -4.819 10.418 182 HD2 HIS 29 2HD HIS 29 -0.519 -2.725 7.004 183 HE1 HIS 29 1HE HIS 29 0.875 -5.062 10.258 184 H THR 30 H THR 30 -2.334 -1.385 6.613 185 HA THR 30 HA THR 30 0.176 -0.452 7.317 186 HB THR 30 HB THR 30 -1.408 0.531 4.940 187 HG1 THR 30 1HG THR 30 0.144 -1.841 5.258 188 HG21 THR 30 3HG2 THR 30 1.306 0.057 4.337 189 HG22 THR 30 1HG2 THR 30 1.274 0.963 5.850 190 HG23 THR 30 2HG2 THR 30 0.471 1.607 4.418 191 H LEU 31 H LEU 31 -2.853 1.069 7.712 192 HA LEU 31 HA LEU 31 -1.785 3.764 7.784 193 HB2 LEU 31 1HB LEU 31 -3.987 3.542 6.918 194 HB3 LEU 31 2HB LEU 31 -4.509 2.605 8.316 195 HG LEU 31 HG LEU 31 -4.062 4.742 9.668 196 HD11 LEU 31 1HD1 LEU 31 -4.637 6.302 7.244 197 HD12 LEU 31 2HD1 LEU 31 -2.996 5.668 7.366 198 HD13 LEU 31 3HD1 LEU 31 -3.640 6.698 8.645 199 HD21 LEU 31 3HD2 LEU 31 -6.304 5.202 7.782 200 HD22 LEU 31 1HD2 LEU 31 -6.279 5.234 9.545 201 HD23 LEU 31 2HD2 LEU 31 -6.296 3.690 8.692 202 H GLN 32 H GLN 32 -3.116 1.403 10.075 203 HA GLN 32 HA GLN 32 -2.563 3.100 12.341 204 HB2 GLN 32 1HB GLN 32 -4.502 1.591 12.342 205 HB3 GLN 32 2HB GLN 32 -3.427 0.205 12.225 206 HG2 GLN 32 1HG GLN 32 -3.117 2.116 14.491 207 HG3 GLN 32 2HG GLN 32 -4.415 0.923 14.523 208 HE21 GLN 32 1HE2 GLN 32 -3.760 -1.342 14.192 209 HE22 GLN 32 2HE2 GLN 32 -2.251 -1.861 14.853 210 H THR 33 H THR 33 -1.474 -0.186 11.470 211 HA THR 33 HA THR 33 0.596 -0.374 13.305 212 HB THR 33 HB THR 33 0.532 -1.602 10.541 213 HG1 THR 33 1HG THR 33 -1.278 -2.299 11.594 214 HG21 THR 33 3HG2 THR 33 1.751 -3.193 12.611 215 HG22 THR 33 1HG2 THR 33 2.554 -1.629 12.482 216 HG23 THR 33 2HG2 THR 33 2.419 -2.670 11.065 217 H HIS 34 H HIS 34 0.648 0.906 10.001 218 HA HIS 34 HA HIS 34 3.344 1.970 10.539 219 HB2 HIS 34 1HB HIS 34 2.138 1.423 7.822 220 HB3 HIS 34 2HB HIS 34 3.805 1.868 8.177 221 HD1 HIS 34 1HD HIS 34 4.483 -0.127 10.377 222 HD2 HIS 34 2HD HIS 34 2.383 -1.129 6.935 223 HE1 HIS 34 1HE HIS 34 4.811 -2.603 10.086 224 H SER 35 H SER 35 3.802 4.099 9.967 225 HA SER 35 HA SER 35 3.343 6.331 9.877 226 HB2 SER 35 1HB SER 35 2.935 5.551 7.487 227 HB3 SER 35 2HB SER 35 1.214 5.582 7.870 228 HG SER 35 HG SER 35 1.362 7.778 8.252 229 H ASP 36 H ASP 36 2.132 5.166 12.021 230 HA ASP 36 HA ASP 36 -0.606 5.418 12.318 231 HB2 ASP 36 1HB ASP 36 1.188 4.535 13.971 232 HB3 ASP 36 2HB ASP 36 1.272 6.204 14.528 233 H LYS 37 H LYS 37 1.894 7.881 12.889 234 HA LYS 37 HA LYS 37 1.807 10.153 12.949 235 HB2 LYS 37 1HB LYS 37 -0.566 9.475 11.260 236 HB3 LYS 37 2HB LYS 37 -0.350 11.137 11.794 237 HG2 LYS 37 1HG LYS 37 1.634 11.392 10.602 238 HG3 LYS 37 2HG LYS 37 1.865 9.650 10.433 239 HD2 LYS 37 1HD LYS 37 1.152 10.337 8.315 240 HD3 LYS 37 2HD LYS 37 -0.308 9.692 9.069 241 HE2 LYS 37 1HE LYS 37 -0.946 11.719 8.038 242 HE3 LYS 37 2HE LYS 37 -0.838 12.065 9.764 243 HZ1 LYS 37 3HZ LYS 37 0.249 13.836 8.763 244 HZ2 LYS 37 1HZ LYS 37 1.009 12.865 7.605 245 HZ3 LYS 37 2HZ LYS 37 1.525 12.822 9.215 246 H SER 38 H SER 38 0.992 8.835 15.239 247 HA SER 38 HA SER 38 -1.485 9.587 16.288 248 HB2 SER 38 1HB SER 38 -0.424 9.226 18.514 249 HB3 SER 38 2HB SER 38 -0.113 7.910 17.384 250 HG SER 38 HG SER 38 1.644 10.000 18.142 251 H GLY 39 H GLY 39 -1.685 11.097 18.251 252 HA2 GLY 39 1HA GLY 39 -0.068 13.313 18.659 253 HA3 GLY 39 2HA GLY 39 -1.168 13.744 17.358 254 HA PRO 40 HA PRO 40 -3.085 14.367 21.654 255 HB2 PRO 40 1HB PRO 40 -3.072 17.082 21.668 256 HB3 PRO 40 2HB PRO 40 -1.740 16.111 22.309 257 HG2 PRO 40 1HG PRO 40 -1.987 17.471 19.653 258 HG3 PRO 40 2HG PRO 40 -0.592 17.393 20.745 259 HD2 PRO 40 1HD PRO 40 -0.820 15.812 18.558 260 HD3 PRO 40 2HD PRO 40 0.002 15.281 20.039 261 H SER 41 H SER 41 -5.030 15.936 22.056 262 HA SER 41 HA SER 41 -7.180 16.457 21.523 263 HB2 SER 41 1HB SER 41 -5.804 17.212 18.942 264 HB3 SER 41 2HB SER 41 -7.516 17.516 19.239 265 HG SER 41 HG SER 41 -6.965 19.180 20.381 266 H SER 42 H SER 42 -6.558 13.763 21.364 267 HA SER 42 HA SER 42 -7.350 12.536 18.945 268 HB2 SER 42 1HB SER 42 -7.275 11.532 21.794 269 HB3 SER 42 2HB SER 42 -7.718 10.508 20.428 270 HG SER 42 HG SER 42 -5.304 11.040 21.290 271 H GLY 43 H GLY 43 -9.305 10.984 18.925 272 HA2 GLY 43 1HA GLY 43 -11.638 12.267 18.590 273 HA3 GLY 43 2HA GLY 43 -11.583 10.607 19.164 Start of MODEL 13 1 H1 GLY 1 H GLY 1 9.567 -24.638 5.639 2 HA2 GLY 1 1HA GLY 1 7.519 -23.456 5.323 3 HA3 GLY 1 2HA GLY 1 7.616 -22.905 6.989 4 H SER 2 H SER 2 7.962 -20.802 7.133 5 HA SER 2 HA SER 2 8.433 -18.659 6.414 6 HB2 SER 2 1HB SER 2 11.033 -20.163 6.512 7 HB3 SER 2 2HB SER 2 11.007 -18.453 6.082 8 HG SER 2 HG SER 2 10.235 -17.954 8.066 9 H SER 3 H SER 3 7.352 -20.075 4.286 10 HA SER 3 HA SER 3 8.868 -18.951 2.027 11 HB2 SER 3 1HB SER 3 8.041 -20.859 0.642 12 HB3 SER 3 2HB SER 3 9.140 -21.355 1.928 13 HG SER 3 HG SER 3 6.407 -21.329 2.489 14 H GLY 4 H GLY 4 7.395 -18.793 0.022 15 HA2 GLY 4 1HA GLY 4 5.112 -17.211 0.796 16 HA3 GLY 4 2HA GLY 4 5.696 -17.474 -0.841 17 H SER 5 H SER 5 4.608 -19.760 1.656 18 HA SER 5 HA SER 5 2.450 -20.590 -0.167 19 HB2 SER 5 1HB SER 5 4.542 -22.255 1.171 20 HB3 SER 5 2HB SER 5 2.932 -22.940 0.950 21 HG SER 5 HG SER 5 4.859 -22.788 -0.827 22 H SER 6 H SER 6 1.101 -19.217 1.144 23 HA SER 6 HA SER 6 0.569 -20.248 3.845 24 HB2 SER 6 1HB SER 6 -0.613 -18.101 4.220 25 HB3 SER 6 2HB SER 6 1.076 -17.863 3.773 26 HG SER 6 HG SER 6 -1.030 -17.802 1.882 27 H GLY 7 H GLY 7 -1.742 -20.238 4.530 28 HA2 GLY 7 1HA GLY 7 -3.306 -21.960 3.116 29 HA3 GLY 7 2HA GLY 7 -3.966 -20.769 4.227 30 H ASN 8 H ASN 8 -3.963 -18.453 3.172 31 HA ASN 8 HA ASN 8 -5.168 -18.753 0.500 32 HB2 ASN 8 1HB ASN 8 -6.284 -16.475 1.287 33 HB3 ASN 8 2HB ASN 8 -6.967 -18.035 1.735 34 HD21 ASN 8 1HD2 ASN 8 -7.934 -17.205 3.573 35 HD22 ASN 8 2HD2 ASN 8 -7.028 -16.764 4.976 36 H GLY 9 H GLY 9 -3.500 -16.380 2.577 37 HA2 GLY 9 1HA GLY 9 -2.051 -14.675 2.060 38 HA3 GLY 9 2HA GLY 9 -1.482 -15.740 0.783 39 H ALA 10 H ALA 10 -4.659 -14.214 1.163 40 HA ALA 10 HA ALA 10 -4.919 -13.502 -1.520 41 HB1 ALA 10 3HB ALA 10 -6.223 -12.078 0.792 42 HB2 ALA 10 1HB ALA 10 -6.812 -12.205 -0.866 43 HB3 ALA 10 2HB ALA 10 -6.761 -13.636 0.165 44 H PHE 11 H PHE 11 -3.910 -11.507 1.250 45 HA PHE 11 HA PHE 11 -2.504 -9.746 -0.627 46 HB2 PHE 11 1HB PHE 11 -4.280 -8.785 1.626 47 HB3 PHE 11 2HB PHE 11 -3.273 -7.759 0.611 48 HD1 PHE 11 2HD PHE 11 -3.839 -7.410 -1.749 49 HD2 PHE 11 1HD PHE 11 -6.364 -9.644 0.849 50 HE1 PHE 11 2HE PHE 11 -5.684 -7.195 -3.363 51 HE2 PHE 11 1HE PHE 11 -8.213 -9.434 -0.761 52 HZ PHE 11 HZ PHE 11 -7.874 -8.207 -2.869 53 H PHE 12 H PHE 12 -0.649 -8.763 0.183 54 HA PHE 12 HA PHE 12 0.172 -9.574 2.889 55 HB2 PHE 12 1HB PHE 12 2.322 -10.235 2.153 56 HB3 PHE 12 2HB PHE 12 1.197 -10.975 1.018 57 HD1 PHE 12 1HD PHE 12 3.729 -8.370 1.479 58 HD2 PHE 12 2HD PHE 12 1.107 -10.279 -1.278 59 HE1 PHE 12 1HE PHE 12 4.930 -7.313 -0.391 60 HE2 PHE 12 2HE PHE 12 2.305 -9.226 -3.151 61 HZ PHE 12 HZ PHE 12 4.219 -7.741 -2.710 62 H CYS 13 H CYS 13 0.877 -7.948 4.106 63 HA CYS 13 HA CYS 13 0.792 -5.288 3.333 64 HB2 CYS 13 1HB CYS 13 0.789 -6.170 5.689 65 HB3 CYS 13 2HB CYS 13 2.529 -6.398 5.543 66 H ASN 14 H ASN 14 2.378 -3.739 2.861 67 HA ASN 14 HA ASN 14 4.603 -4.773 1.331 68 HB2 ASN 14 1HB ASN 14 3.338 -2.936 0.389 69 HB3 ASN 14 2HB ASN 14 3.628 -1.952 1.820 70 HD21 ASN 14 1HD2 ASN 14 5.608 -3.897 -0.397 71 HD22 ASN 14 2HD2 ASN 14 6.794 -2.672 -0.679 72 H GLU 15 H GLU 15 4.249 -2.433 4.002 73 HA GLU 15 HA GLU 15 6.969 -2.106 4.529 74 HB2 GLU 15 1HB GLU 15 4.556 -1.858 6.323 75 HB3 GLU 15 2HB GLU 15 6.180 -1.434 6.845 76 HG2 GLU 15 1HG GLU 15 4.641 -0.180 4.585 77 HG3 GLU 15 2HG GLU 15 4.984 0.541 6.156 78 H CYS 16 H CYS 16 4.635 -4.200 6.232 79 HA CYS 16 HA CYS 16 6.912 -5.811 7.179 80 HB2 CYS 16 1HB CYS 16 5.647 -6.406 9.098 81 HB3 CYS 16 2HB CYS 16 5.439 -4.669 8.902 82 H ASP 17 H ASP 17 6.043 -8.149 7.761 83 HA ASP 17 HA ASP 17 4.826 -9.166 5.289 84 HB2 ASP 17 1HB ASP 17 5.772 -11.399 6.300 85 HB3 ASP 17 2HB ASP 17 6.849 -10.267 5.487 86 H CYS 18 H CYS 18 2.654 -8.956 5.762 87 HA CYS 18 HA CYS 18 1.667 -10.725 7.897 88 HB2 CYS 18 1HB CYS 18 0.961 -7.894 7.301 89 HB3 CYS 18 2HB CYS 18 -0.339 -8.966 7.807 90 HG CYS 18 HG CYS 18 2.507 -8.331 9.600 91 H ARG 19 H ARG 19 -0.865 -10.989 7.506 92 HA ARG 19 HA ARG 19 -1.410 -11.341 4.653 93 HB2 ARG 19 1HB ARG 19 -2.147 -13.637 4.962 94 HB3 ARG 19 2HB ARG 19 -0.467 -13.473 5.453 95 HG2 ARG 19 1HG ARG 19 -1.453 -13.157 7.829 96 HG3 ARG 19 2HG ARG 19 -2.894 -13.905 7.136 97 HD2 ARG 19 1HD ARG 19 -1.545 -15.616 8.145 98 HD3 ARG 19 2HD ARG 19 -1.484 -15.807 6.394 99 HE ARG 19 HE ARG 19 0.690 -14.264 7.012 100 HH11 ARG 19 1HH1 ARG 19 -0.489 -17.396 7.970 101 HH12 ARG 19 2HH1 ARG 19 1.090 -18.049 8.253 102 HH21 ARG 19 1HH2 ARG 19 2.775 -15.112 7.381 103 HH22 ARG 19 2HH2 ARG 19 2.947 -16.748 7.919 104 H PHE 20 H PHE 20 -3.505 -11.024 4.098 105 HA PHE 20 HA PHE 20 -5.536 -10.942 6.201 106 HB2 PHE 20 1HB PHE 20 -4.965 -8.667 4.291 107 HB3 PHE 20 2HB PHE 20 -6.387 -8.770 5.324 108 HD1 PHE 20 2HD PHE 20 -6.200 -8.489 7.732 109 HD2 PHE 20 1HD PHE 20 -2.805 -8.128 5.191 110 HE1 PHE 20 2HE PHE 20 -4.956 -7.402 9.555 111 HE2 PHE 20 1HE PHE 20 -1.555 -7.041 7.010 112 HZ PHE 20 HZ PHE 20 -2.630 -6.676 9.195 113 H SER 21 H SER 21 -7.736 -10.934 5.363 114 HA SER 21 HA SER 21 -7.883 -12.365 2.806 115 HB2 SER 21 1HB SER 21 -10.222 -12.958 3.660 116 HB3 SER 21 2HB SER 21 -8.860 -13.661 4.533 117 HG SER 21 HG SER 21 -10.352 -11.367 5.290 118 H GLU 22 H GLU 22 -7.731 -9.388 3.228 119 HA GLU 22 HA GLU 22 -9.562 -8.642 1.206 120 HB2 GLU 22 1HB GLU 22 -10.954 -8.832 3.424 121 HB3 GLU 22 2HB GLU 22 -10.215 -7.279 3.790 122 HG2 GLU 22 1HG GLU 22 -12.469 -7.153 2.735 123 HG3 GLU 22 2HG GLU 22 -11.204 -6.261 1.892 124 H GLU 23 H GLU 23 -8.946 -6.763 0.255 125 HA GLU 23 HA GLU 23 -6.437 -5.683 0.791 126 HB2 GLU 23 1HB GLU 23 -7.181 -5.310 -1.376 127 HB3 GLU 23 2HB GLU 23 -8.774 -4.787 -0.848 128 HG2 GLU 23 1HG GLU 23 -7.922 -2.674 -0.135 129 HG3 GLU 23 2HG GLU 23 -6.261 -3.196 -0.410 130 H ALA 24 H ALA 24 -9.567 -4.028 1.245 131 HA ALA 24 HA ALA 24 -8.821 -1.771 2.515 132 HB1 ALA 24 3HB ALA 24 -11.122 -3.451 3.494 133 HB2 ALA 24 1HB ALA 24 -10.957 -1.697 3.574 134 HB3 ALA 24 2HB ALA 24 -11.163 -2.493 2.014 135 H SER 25 H SER 25 -9.534 -4.798 4.271 136 HA SER 25 HA SER 25 -8.950 -4.110 6.817 137 HB2 SER 25 1HB SER 25 -8.269 -6.649 5.338 138 HB3 SER 25 2HB SER 25 -7.998 -6.473 7.071 139 HG SER 25 HG SER 25 -10.149 -7.316 6.109 140 H LEU 26 H LEU 26 -6.562 -4.965 4.338 141 HA LEU 26 HA LEU 26 -4.306 -4.654 6.040 142 HB2 LEU 26 1HB LEU 26 -4.071 -6.015 4.112 143 HB3 LEU 26 2HB LEU 26 -4.630 -4.723 3.051 144 HG LEU 26 HG LEU 26 -2.534 -3.469 3.629 145 HD11 LEU 26 1HD1 LEU 26 -2.271 -5.612 5.488 146 HD12 LEU 26 2HD1 LEU 26 -1.246 -4.192 5.279 147 HD13 LEU 26 3HD1 LEU 26 -0.914 -5.661 4.362 148 HD21 LEU 26 3HD2 LEU 26 -1.061 -5.106 2.287 149 HD22 LEU 26 1HD2 LEU 26 -2.516 -4.461 1.527 150 HD23 LEU 26 2HD2 LEU 26 -2.517 -6.096 2.188 151 H LYS 27 H LYS 27 -5.775 -2.571 3.562 152 HA LYS 27 HA LYS 27 -4.078 -0.457 3.488 153 HB2 LYS 27 1HB LYS 27 -7.096 -0.331 3.626 154 HB3 LYS 27 2HB LYS 27 -6.062 0.992 3.102 155 HG2 LYS 27 1HG LYS 27 -5.816 -1.636 1.732 156 HG3 LYS 27 2HG LYS 27 -7.208 -0.612 1.372 157 HD2 LYS 27 1HD LYS 27 -5.781 1.188 0.682 158 HD3 LYS 27 2HD LYS 27 -4.344 0.323 1.230 159 HE2 LYS 27 1HE LYS 27 -6.131 -0.919 -0.816 160 HE3 LYS 27 2HE LYS 27 -4.993 0.337 -1.302 161 HZ1 LYS 27 3HZ LYS 27 -4.372 -2.241 -1.214 162 HZ2 LYS 27 1HZ LYS 27 -3.910 -1.793 0.351 163 HZ3 LYS 27 2HZ LYS 27 -3.234 -1.010 -0.987 164 H ARG 28 H ARG 28 -6.553 -1.022 5.970 165 HA ARG 28 HA ARG 28 -5.944 1.327 7.455 166 HB2 ARG 28 1HB ARG 28 -8.079 -0.177 7.480 167 HB3 ARG 28 2HB ARG 28 -7.194 -1.105 8.685 168 HG2 ARG 28 1HG ARG 28 -7.284 0.570 10.246 169 HG3 ARG 28 2HG ARG 28 -7.433 1.841 9.031 170 HD2 ARG 28 1HD ARG 28 -9.720 0.777 8.512 171 HD3 ARG 28 2HD ARG 28 -9.532 -0.032 10.067 172 HE ARG 28 HE ARG 28 -9.074 2.598 10.616 173 HH11 ARG 28 1HH1 ARG 28 -11.669 0.817 9.129 174 HH12 ARG 28 2HH1 ARG 28 -12.898 1.923 9.645 175 HH21 ARG 28 1HH2 ARG 28 -10.683 4.062 11.301 176 HH22 ARG 28 2HH2 ARG 28 -12.336 3.769 10.879 177 H HIS 29 H HIS 29 -5.093 -2.098 7.860 178 HA HIS 29 HA HIS 29 -3.716 -2.002 10.233 179 HB2 HIS 29 1HB HIS 29 -3.885 -4.148 9.417 180 HB3 HIS 29 2HB HIS 29 -3.463 -3.672 7.775 181 HD1 HIS 29 1HD HIS 29 -2.057 -5.112 10.822 182 HD2 HIS 29 2HD HIS 29 -0.611 -3.224 7.415 183 HE1 HIS 29 1HE HIS 29 0.401 -5.639 10.753 184 H THR 30 H THR 30 -2.535 -1.159 7.008 185 HA THR 30 HA THR 30 0.150 -0.691 7.754 186 HB THR 30 HB THR 30 -1.382 0.539 5.454 187 HG1 THR 30 1HG THR 30 -0.116 -1.276 4.377 188 HG21 THR 30 3HG2 THR 30 0.614 1.229 4.557 189 HG22 THR 30 1HG2 THR 30 1.547 -0.006 5.400 190 HG23 THR 30 2HG2 THR 30 0.974 1.415 6.273 191 H LEU 31 H LEU 31 -2.661 1.450 7.484 192 HA LEU 31 HA LEU 31 -1.363 3.876 7.965 193 HB2 LEU 31 1HB LEU 31 -3.563 3.998 7.183 194 HB3 LEU 31 2HB LEU 31 -4.162 2.915 8.437 195 HG LEU 31 HG LEU 31 -3.515 4.840 10.055 196 HD11 LEU 31 1HD1 LEU 31 -2.997 6.023 7.463 197 HD12 LEU 31 2HD1 LEU 31 -2.589 6.609 9.076 198 HD13 LEU 31 3HD1 LEU 31 -4.177 6.950 8.390 199 HD21 LEU 31 3HD2 LEU 31 -5.874 4.764 8.202 200 HD22 LEU 31 1HD2 LEU 31 -5.740 5.974 9.479 201 HD23 LEU 31 2HD2 LEU 31 -5.771 4.259 9.890 202 H GLN 32 H GLN 32 -3.020 1.722 10.268 203 HA GLN 32 HA GLN 32 -2.273 3.240 12.553 204 HB2 GLN 32 1HB GLN 32 -3.186 0.365 12.346 205 HB3 GLN 32 2HB GLN 32 -3.073 1.290 13.838 206 HG2 GLN 32 1HG GLN 32 -4.667 2.941 12.610 207 HG3 GLN 32 2HG GLN 32 -5.019 1.543 11.595 208 HE21 GLN 32 1HE2 GLN 32 -6.964 0.884 12.208 209 HE22 GLN 32 2HE2 GLN 32 -7.441 0.533 13.830 210 H THR 33 H THR 33 -1.278 -0.067 11.654 211 HA THR 33 HA THR 33 0.848 -0.284 13.415 212 HB THR 33 HB THR 33 0.684 -1.533 10.665 213 HG1 THR 33 1HG THR 33 -0.659 -2.963 11.532 214 HG21 THR 33 3HG2 THR 33 2.267 -2.223 13.135 215 HG22 THR 33 1HG2 THR 33 2.884 -1.830 11.531 216 HG23 THR 33 2HG2 THR 33 2.022 -3.345 11.798 217 H HIS 34 H HIS 34 0.899 0.811 10.030 218 HA HIS 34 HA HIS 34 3.604 1.877 10.498 219 HB2 HIS 34 1HB HIS 34 2.372 1.413 7.789 220 HB3 HIS 34 2HB HIS 34 4.074 1.619 8.194 221 HD1 HIS 34 1HD HIS 34 4.690 -0.455 10.172 222 HD2 HIS 34 2HD HIS 34 2.004 -1.158 7.081 223 HE1 HIS 34 1HE HIS 34 4.609 -2.955 9.907 224 H SER 35 H SER 35 2.531 3.719 11.544 225 HA SER 35 HA SER 35 0.805 5.451 10.123 226 HB2 SER 35 1HB SER 35 0.823 5.636 12.497 227 HB3 SER 35 2HB SER 35 2.572 5.860 12.538 228 HG SER 35 HG SER 35 2.247 7.867 11.470 229 H ASP 36 H ASP 36 4.310 5.492 10.671 230 HA ASP 36 HA ASP 36 4.642 7.820 8.978 231 HB2 ASP 36 1HB ASP 36 6.570 6.082 10.514 232 HB3 ASP 36 2HB ASP 36 7.111 7.365 9.435 233 H LYS 37 H LYS 37 4.127 7.287 6.901 234 HA LYS 37 HA LYS 37 5.643 5.079 5.675 235 HB2 LYS 37 1HB LYS 37 3.897 4.945 3.990 236 HB3 LYS 37 2HB LYS 37 3.193 4.802 5.595 237 HG2 LYS 37 1HG LYS 37 3.305 7.497 4.353 238 HG3 LYS 37 2HG LYS 37 2.125 6.336 3.737 239 HD2 LYS 37 1HD LYS 37 2.337 6.688 6.683 240 HD3 LYS 37 2HD LYS 37 1.564 7.971 5.747 241 HE2 LYS 37 1HE LYS 37 0.796 5.060 5.594 242 HE3 LYS 37 2HE LYS 37 -0.007 6.241 6.626 243 HZ1 LYS 37 3HZ LYS 37 -0.673 7.480 4.705 244 HZ2 LYS 37 1HZ LYS 37 -1.146 5.869 4.489 245 HZ3 LYS 37 2HZ LYS 37 0.209 6.469 3.674 246 H SER 38 H SER 38 6.100 5.442 3.297 247 HA SER 38 HA SER 38 7.500 7.944 3.030 248 HB2 SER 38 1HB SER 38 8.435 7.008 1.015 249 HB3 SER 38 2HB SER 38 8.421 5.744 2.244 250 HG SER 38 HG SER 38 7.033 4.644 1.097 251 H GLY 39 H GLY 39 6.011 9.584 2.825 252 HA2 GLY 39 1HA GLY 39 5.206 10.817 0.751 253 HA3 GLY 39 2HA GLY 39 4.175 9.412 0.520 254 HA PRO 40 HA PRO 40 2.327 12.744 3.440 255 HB2 PRO 40 1HB PRO 40 0.856 14.174 1.662 256 HB3 PRO 40 2HB PRO 40 2.514 14.602 2.101 257 HG2 PRO 40 1HG PRO 40 1.511 13.131 -0.305 258 HG3 PRO 40 2HG PRO 40 2.744 14.402 -0.204 259 HD2 PRO 40 1HD PRO 40 3.372 11.776 -0.403 260 HD3 PRO 40 2HD PRO 40 4.381 12.934 0.487 261 H SER 41 H SER 41 0.758 11.555 0.460 262 HA SER 41 HA SER 41 -1.391 10.781 0.139 263 HB2 SER 41 1HB SER 41 -0.228 9.037 2.310 264 HB3 SER 41 2HB SER 41 -1.774 8.679 1.542 265 HG SER 41 HG SER 41 -0.288 9.045 -0.470 266 H SER 42 H SER 42 -1.519 13.079 1.673 267 HA SER 42 HA SER 42 -2.887 12.834 4.109 268 HB2 SER 42 1HB SER 42 -1.807 14.923 3.020 269 HB3 SER 42 2HB SER 42 -3.360 15.118 2.208 270 HG SER 42 HG SER 42 -3.399 14.687 4.960 271 H GLY 43 H GLY 43 -4.123 13.272 0.801 272 HA2 GLY 43 1HA GLY 43 -6.111 11.820 0.312 273 HA3 GLY 43 2HA GLY 43 -6.783 12.462 1.804 Start of MODEL 14 1 H1 GLY 1 H GLY 1 1.122 -36.327 2.941 2 HA2 GLY 1 1HA GLY 1 -1.542 -36.615 3.807 3 HA3 GLY 1 2HA GLY 1 -0.550 -35.178 4.013 4 H SER 2 H SER 2 -3.436 -35.943 3.028 5 HA SER 2 HA SER 2 -3.396 -34.137 0.698 6 HB2 SER 2 1HB SER 2 -5.010 -36.596 1.272 7 HB3 SER 2 2HB SER 2 -5.693 -35.333 0.248 8 HG SER 2 HG SER 2 -3.092 -36.154 -0.308 9 H SER 3 H SER 3 -3.911 -32.187 1.496 10 HA SER 3 HA SER 3 -6.390 -31.984 3.073 11 HB2 SER 3 1HB SER 3 -5.430 -30.168 4.366 12 HB3 SER 3 2HB SER 3 -4.374 -31.576 4.480 13 HG SER 3 HG SER 3 -3.856 -29.777 2.424 14 H GLY 4 H GLY 4 -7.658 -30.113 2.730 15 HA2 GLY 4 1HA GLY 4 -6.872 -28.281 0.608 16 HA3 GLY 4 2HA GLY 4 -8.253 -29.311 0.260 17 H SER 5 H SER 5 -7.092 -27.250 2.932 18 HA SER 5 HA SER 5 -9.846 -26.234 3.194 19 HB2 SER 5 1HB SER 5 -9.161 -27.443 5.188 20 HB3 SER 5 2HB SER 5 -7.682 -26.489 5.296 21 HG SER 5 HG SER 5 -10.324 -25.764 5.870 22 H SER 6 H SER 6 -6.525 -25.196 3.991 23 HA SER 6 HA SER 6 -7.025 -22.461 4.002 24 HB2 SER 6 1HB SER 6 -4.597 -22.178 3.723 25 HB3 SER 6 2HB SER 6 -4.957 -23.454 4.886 26 HG SER 6 HG SER 6 -3.587 -23.601 2.572 27 H GLY 7 H GLY 7 -7.407 -20.998 2.467 28 HA2 GLY 7 1HA GLY 7 -6.263 -20.960 -0.092 29 HA3 GLY 7 2HA GLY 7 -7.838 -21.729 -0.217 30 H ASN 8 H ASN 8 -6.652 -18.976 1.707 31 HA ASN 8 HA ASN 8 -8.109 -17.060 0.165 32 HB2 ASN 8 1HB ASN 8 -9.926 -18.189 1.495 33 HB3 ASN 8 2HB ASN 8 -9.144 -17.590 2.955 34 HD21 ASN 8 1HD2 ASN 8 -8.727 -15.186 2.942 35 HD22 ASN 8 2HD2 ASN 8 -9.998 -14.186 2.336 36 H GLY 9 H GLY 9 -7.219 -15.095 0.416 37 HA2 GLY 9 1HA GLY 9 -6.376 -13.347 1.881 38 HA3 GLY 9 2HA GLY 9 -5.628 -14.605 2.854 39 H ALA 10 H ALA 10 -5.536 -13.086 -0.347 40 HA ALA 10 HA ALA 10 -2.712 -13.886 -0.572 41 HB1 ALA 10 3HB ALA 10 -3.842 -14.720 -2.444 42 HB2 ALA 10 1HB ALA 10 -4.787 -13.244 -2.643 43 HB3 ALA 10 2HB ALA 10 -3.064 -13.246 -3.021 44 H PHE 11 H PHE 11 -3.398 -11.734 1.099 45 HA PHE 11 HA PHE 11 -2.277 -9.471 -0.419 46 HB2 PHE 11 1HB PHE 11 -4.286 -9.369 1.841 47 HB3 PHE 11 2HB PHE 11 -3.523 -7.962 1.108 48 HD1 PHE 11 1HD PHE 11 -5.739 -10.842 0.397 49 HD2 PHE 11 2HD PHE 11 -4.398 -6.994 -0.832 50 HE1 PHE 11 1HE PHE 11 -7.521 -10.766 -1.297 51 HE2 PHE 11 2HE PHE 11 -6.179 -6.912 -2.527 52 HZ PHE 11 HZ PHE 11 -7.744 -8.799 -2.761 53 H PHE 12 H PHE 12 -0.422 -8.676 0.329 54 HA PHE 12 HA PHE 12 0.333 -9.246 3.116 55 HB2 PHE 12 1HB PHE 12 2.657 -9.612 2.370 56 HB3 PHE 12 2HB PHE 12 1.550 -10.788 1.669 57 HD1 PHE 12 2HD PHE 12 0.945 -10.663 -0.703 58 HD2 PHE 12 1HD PHE 12 3.821 -8.036 1.012 59 HE1 PHE 12 2HE PHE 12 1.747 -10.078 -2.954 60 HE2 PHE 12 1HE PHE 12 4.628 -7.446 -1.237 61 HZ PHE 12 HZ PHE 12 3.591 -8.468 -3.223 62 H CYS 13 H CYS 13 1.437 -7.650 4.195 63 HA CYS 13 HA CYS 13 1.030 -4.995 3.407 64 HB2 CYS 13 1HB CYS 13 1.568 -6.086 5.754 65 HB3 CYS 13 2HB CYS 13 3.224 -5.668 5.323 66 H ASN 14 H ASN 14 2.725 -3.332 3.104 67 HA ASN 14 HA ASN 14 4.508 -4.138 0.994 68 HB2 ASN 14 1HB ASN 14 3.932 -1.473 2.293 69 HB3 ASN 14 2HB ASN 14 5.114 -1.674 1.003 70 HD21 ASN 14 1HD2 ASN 14 1.721 -2.203 1.813 71 HD22 ASN 14 2HD2 ASN 14 1.119 -1.981 0.208 72 H GLU 15 H GLU 15 4.984 -2.477 4.117 73 HA GLU 15 HA GLU 15 7.826 -2.871 4.030 74 HB2 GLU 15 1HB GLU 15 7.803 -1.879 6.289 75 HB3 GLU 15 2HB GLU 15 6.922 -0.902 5.122 76 HG2 GLU 15 1HG GLU 15 4.813 -1.766 5.959 77 HG3 GLU 15 2HG GLU 15 5.675 -2.796 7.101 78 H CYS 16 H CYS 16 5.155 -4.223 5.942 79 HA CYS 16 HA CYS 16 6.974 -6.285 6.967 80 HB2 CYS 16 1HB CYS 16 5.583 -6.529 8.795 81 HB3 CYS 16 2HB CYS 16 5.348 -4.823 8.428 82 H ASP 17 H ASP 17 5.456 -8.386 7.466 83 HA ASP 17 HA ASP 17 4.120 -9.081 4.938 84 HB2 ASP 17 1HB ASP 17 6.374 -10.043 4.916 85 HB3 ASP 17 2HB ASP 17 6.069 -10.818 6.468 86 H CYS 18 H CYS 18 2.113 -8.757 5.976 87 HA CYS 18 HA CYS 18 1.445 -10.816 7.977 88 HB2 CYS 18 1HB CYS 18 1.357 -8.421 8.778 89 HB3 CYS 18 2HB CYS 18 0.043 -8.162 7.637 90 HG CYS 18 HG CYS 18 -0.793 -10.782 9.331 91 H ARG 19 H ARG 19 -0.547 -11.877 7.787 92 HA ARG 19 HA ARG 19 -1.538 -12.018 5.058 93 HB2 ARG 19 1HB ARG 19 -1.090 -14.128 6.095 94 HB3 ARG 19 2HB ARG 19 -2.038 -13.699 7.513 95 HG2 ARG 19 1HG ARG 19 -3.539 -15.030 6.457 96 HG3 ARG 19 2HG ARG 19 -3.963 -13.487 5.712 97 HD2 ARG 19 1HD ARG 19 -3.784 -15.228 4.026 98 HD3 ARG 19 2HD ARG 19 -2.519 -14.020 3.805 99 HE ARG 19 HE ARG 19 -1.250 -15.853 5.273 100 HH11 ARG 19 1HH1 ARG 19 -3.269 -16.169 2.454 101 HH12 ARG 19 2HH1 ARG 19 -2.456 -17.584 1.870 102 HH21 ARG 19 1HH2 ARG 19 -0.172 -17.714 4.514 103 HH22 ARG 19 2HH2 ARG 19 -0.695 -18.462 3.044 104 H PHE 20 H PHE 20 -3.552 -11.453 4.390 105 HA PHE 20 HA PHE 20 -5.479 -10.511 6.386 106 HB2 PHE 20 1HB PHE 20 -4.702 -8.931 3.925 107 HB3 PHE 20 2HB PHE 20 -5.930 -8.480 5.104 108 HD1 PHE 20 2HD PHE 20 -5.311 -7.645 7.289 109 HD2 PHE 20 1HD PHE 20 -2.352 -8.719 4.425 110 HE1 PHE 20 2HE PHE 20 -3.608 -6.454 8.607 111 HE2 PHE 20 1HE PHE 20 -0.644 -7.531 5.738 112 HZ PHE 20 HZ PHE 20 -1.271 -6.395 7.832 113 H SER 21 H SER 21 -7.655 -10.099 5.372 114 HA SER 21 HA SER 21 -8.198 -12.241 3.444 115 HB2 SER 21 1HB SER 21 -10.559 -12.012 4.205 116 HB3 SER 21 2HB SER 21 -9.450 -12.401 5.520 117 HG SER 21 HG SER 21 -10.732 -9.961 4.937 118 H GLU 22 H GLU 22 -8.859 -8.817 4.051 119 HA GLU 22 HA GLU 22 -9.502 -8.524 1.193 120 HB2 GLU 22 1HB GLU 22 -10.831 -7.064 3.482 121 HB3 GLU 22 2HB GLU 22 -11.145 -6.793 1.774 122 HG2 GLU 22 1HG GLU 22 -11.571 -9.452 3.099 123 HG3 GLU 22 2HG GLU 22 -12.818 -8.209 3.020 124 H GLU 23 H GLU 23 -9.044 -6.419 0.292 125 HA GLU 23 HA GLU 23 -6.517 -5.439 0.985 126 HB2 GLU 23 1HB GLU 23 -6.962 -3.638 -0.616 127 HB3 GLU 23 2HB GLU 23 -7.456 -5.198 -1.259 128 HG2 GLU 23 1HG GLU 23 -9.793 -4.567 -0.370 129 HG3 GLU 23 2HG GLU 23 -9.152 -2.926 -0.316 130 H ALA 24 H ALA 24 -9.742 -4.367 1.876 131 HA ALA 24 HA ALA 24 -9.202 -1.867 2.928 132 HB1 ALA 24 3HB ALA 24 -11.188 -2.159 4.302 133 HB2 ALA 24 1HB ALA 24 -11.460 -2.782 2.674 134 HB3 ALA 24 2HB ALA 24 -11.154 -3.898 4.006 135 H SER 25 H SER 25 -9.121 -4.999 4.625 136 HA SER 25 HA SER 25 -8.334 -4.036 7.122 137 HB2 SER 25 1HB SER 25 -9.050 -6.444 6.304 138 HB3 SER 25 2HB SER 25 -7.308 -6.679 6.165 139 HG SER 25 HG SER 25 -7.357 -7.020 8.229 140 H LEU 26 H LEU 26 -6.365 -5.142 4.386 141 HA LEU 26 HA LEU 26 -3.860 -4.864 5.623 142 HB2 LEU 26 1HB LEU 26 -3.881 -6.113 3.659 143 HB3 LEU 26 2HB LEU 26 -4.784 -4.883 2.777 144 HG LEU 26 HG LEU 26 -2.600 -3.473 3.105 145 HD11 LEU 26 1HD1 LEU 26 -0.794 -5.505 2.735 146 HD12 LEU 26 2HD1 LEU 26 -1.828 -6.129 4.020 147 HD13 LEU 26 3HD1 LEU 26 -1.014 -4.577 4.219 148 HD21 LEU 26 3HD2 LEU 26 -2.472 -5.735 1.138 149 HD22 LEU 26 1HD2 LEU 26 -1.945 -4.064 0.942 150 HD23 LEU 26 2HD2 LEU 26 -3.666 -4.445 0.989 151 H LYS 27 H LYS 27 -5.743 -2.606 3.639 152 HA LYS 27 HA LYS 27 -3.891 -0.528 3.510 153 HB2 LYS 27 1HB LYS 27 -6.906 -0.521 3.498 154 HB3 LYS 27 2HB LYS 27 -5.959 0.943 3.269 155 HG2 LYS 27 1HG LYS 27 -5.153 0.260 1.214 156 HG3 LYS 27 2HG LYS 27 -5.460 -1.446 1.547 157 HD2 LYS 27 1HD LYS 27 -7.174 -0.976 0.090 158 HD3 LYS 27 2HD LYS 27 -7.961 -0.656 1.638 159 HE2 LYS 27 1HE LYS 27 -8.536 1.245 0.510 160 HE3 LYS 27 2HE LYS 27 -7.010 1.771 1.219 161 HZ1 LYS 27 3HZ LYS 27 -7.037 2.375 -1.074 162 HZ2 LYS 27 1HZ LYS 27 -7.448 0.806 -1.553 163 HZ3 LYS 27 2HZ LYS 27 -5.924 1.115 -0.890 164 H ARG 28 H ARG 28 -6.561 -0.966 5.833 165 HA ARG 28 HA ARG 28 -5.861 1.256 7.436 166 HB2 ARG 28 1HB ARG 28 -8.081 -0.091 7.320 167 HB3 ARG 28 2HB ARG 28 -7.317 -1.141 8.506 168 HG2 ARG 28 1HG ARG 28 -6.911 1.002 9.852 169 HG3 ARG 28 2HG ARG 28 -8.099 1.736 8.773 170 HD2 ARG 28 1HD ARG 28 -9.688 -0.075 9.398 171 HD3 ARG 28 2HD ARG 28 -8.507 -0.644 10.578 172 HE ARG 28 HE ARG 28 -9.138 1.057 11.966 173 HH11 ARG 28 1HH1 ARG 28 -10.235 1.768 8.739 174 HH12 ARG 28 2HH1 ARG 28 -11.150 3.159 9.216 175 HH21 ARG 28 1HH2 ARG 28 -10.340 2.887 12.607 176 HH22 ARG 28 2HH2 ARG 28 -11.209 3.796 11.416 177 H HIS 29 H HIS 29 -4.702 -1.997 7.274 178 HA HIS 29 HA HIS 29 -3.616 -2.191 9.883 179 HB2 HIS 29 1HB HIS 29 -3.787 -4.258 8.857 180 HB3 HIS 29 2HB HIS 29 -3.218 -3.652 7.305 181 HD1 HIS 29 1HD HIS 29 -2.066 -5.217 10.442 182 HD2 HIS 29 2HD HIS 29 -0.374 -3.398 7.111 183 HE1 HIS 29 1HE HIS 29 0.372 -5.830 10.507 184 H THR 30 H THR 30 -2.422 -0.875 6.861 185 HA THR 30 HA THR 30 0.259 -0.491 7.851 186 HB THR 30 HB THR 30 -1.035 0.641 5.363 187 HG1 THR 30 1HG THR 30 0.394 -1.158 4.481 188 HG21 THR 30 3HG2 THR 30 1.105 1.712 6.315 189 HG22 THR 30 1HG2 THR 30 1.104 1.229 4.619 190 HG23 THR 30 2HG2 THR 30 1.902 0.218 5.824 191 H LEU 31 H LEU 31 -2.636 1.460 7.407 192 HA LEU 31 HA LEU 31 -1.360 3.940 8.055 193 HB2 LEU 31 1HB LEU 31 -3.423 4.928 7.763 194 HB3 LEU 31 2HB LEU 31 -3.520 3.521 6.706 195 HG LEU 31 HG LEU 31 -4.724 2.371 8.650 196 HD11 LEU 31 1HD1 LEU 31 -6.006 4.372 9.891 197 HD12 LEU 31 2HD1 LEU 31 -4.423 5.119 9.681 198 HD13 LEU 31 3HD1 LEU 31 -4.567 3.588 10.544 199 HD21 LEU 31 3HD2 LEU 31 -6.027 4.703 7.248 200 HD22 LEU 31 1HD2 LEU 31 -6.870 3.350 8.002 201 HD23 LEU 31 2HD2 LEU 31 -5.837 3.074 6.599 202 H GLN 32 H GLN 32 -3.086 1.462 9.830 203 HA GLN 32 HA GLN 32 -3.182 3.040 12.256 204 HB2 GLN 32 1HB GLN 32 -4.946 1.348 11.541 205 HB3 GLN 32 2HB GLN 32 -3.790 0.099 11.985 206 HG2 GLN 32 1HG GLN 32 -5.430 0.547 13.751 207 HG3 GLN 32 2HG GLN 32 -3.773 0.857 14.268 208 HE21 GLN 32 1HE2 GLN 32 -6.664 2.451 13.011 209 HE22 GLN 32 2HE2 GLN 32 -6.408 3.951 13.827 210 H THR 33 H THR 33 -1.765 -0.129 11.427 211 HA THR 33 HA THR 33 -0.116 -0.267 13.708 212 HB THR 33 HB THR 33 0.514 -1.638 11.099 213 HG1 THR 33 1HG THR 33 -1.231 -2.728 13.040 214 HG21 THR 33 3HG2 THR 33 0.691 -2.946 13.759 215 HG22 THR 33 1HG2 THR 33 1.890 -1.711 13.380 216 HG23 THR 33 2HG2 THR 33 1.722 -3.124 12.340 217 H HIS 34 H HIS 34 0.690 0.533 10.327 218 HA HIS 34 HA HIS 34 3.250 1.627 11.243 219 HB2 HIS 34 1HB HIS 34 2.368 1.236 8.383 220 HB3 HIS 34 2HB HIS 34 4.006 1.470 8.985 221 HD1 HIS 34 1HD HIS 34 4.510 -0.613 10.941 222 HD2 HIS 34 2HD HIS 34 2.062 -1.337 7.663 223 HE1 HIS 34 1HE HIS 34 4.494 -3.112 10.653 224 H SER 35 H SER 35 3.986 3.613 9.948 225 HA SER 35 HA SER 35 1.921 5.637 10.261 226 HB2 SER 35 1HB SER 35 4.423 5.743 11.067 227 HB3 SER 35 2HB SER 35 4.723 6.272 9.411 228 HG SER 35 HG SER 35 4.120 8.157 10.095 229 H ASP 36 H ASP 36 0.689 6.187 8.602 230 HA ASP 36 HA ASP 36 0.803 5.378 6.023 231 HB2 ASP 36 1HB ASP 36 -0.726 7.074 5.477 232 HB3 ASP 36 2HB ASP 36 -0.971 6.825 7.203 233 H LYS 37 H LYS 37 2.067 5.683 4.309 234 HA LYS 37 HA LYS 37 4.299 7.526 4.519 235 HB2 LYS 37 1HB LYS 37 3.572 5.278 2.675 236 HB3 LYS 37 2HB LYS 37 4.800 6.440 2.190 237 HG2 LYS 37 1HG LYS 37 6.032 4.737 3.155 238 HG3 LYS 37 2HG LYS 37 5.888 5.913 4.463 239 HD2 LYS 37 1HD LYS 37 5.377 3.920 5.527 240 HD3 LYS 37 2HD LYS 37 3.779 4.547 5.116 241 HE2 LYS 37 1HE LYS 37 3.839 2.219 4.559 242 HE3 LYS 37 2HE LYS 37 3.832 3.146 3.059 243 HZ1 LYS 37 3HZ LYS 37 5.719 1.260 3.944 244 HZ2 LYS 37 1HZ LYS 37 6.490 2.758 3.786 245 HZ3 LYS 37 2HZ LYS 37 5.667 2.087 2.469 246 H SER 38 H SER 38 1.874 6.807 1.998 247 HA SER 38 HA SER 38 2.191 9.551 1.009 248 HB2 SER 38 1HB SER 38 2.469 7.617 -0.580 249 HB3 SER 38 2HB SER 38 0.760 7.253 -0.341 250 HG SER 38 HG SER 38 1.717 9.771 -1.223 251 H GLY 39 H GLY 39 0.596 11.017 1.144 252 HA2 GLY 39 1HA GLY 39 -2.163 10.239 1.469 253 HA3 GLY 39 2HA GLY 39 -1.451 10.928 2.921 254 HA PRO 40 HA PRO 40 -3.066 14.242 -0.062 255 HB2 PRO 40 1HB PRO 40 -5.195 15.050 1.415 256 HB3 PRO 40 2HB PRO 40 -5.301 13.776 0.194 257 HG2 PRO 40 1HG PRO 40 -5.043 13.534 3.167 258 HG3 PRO 40 2HG PRO 40 -6.079 12.619 2.056 259 HD2 PRO 40 1HD PRO 40 -3.750 11.632 3.023 260 HD3 PRO 40 2HD PRO 40 -4.364 11.222 1.409 261 H SER 41 H SER 41 -2.494 13.966 3.366 262 HA SER 41 HA SER 41 -1.857 16.837 3.499 263 HB2 SER 41 1HB SER 41 -2.064 16.584 5.961 264 HB3 SER 41 2HB SER 41 -3.555 16.173 5.114 265 HG SER 41 HG SER 41 -1.892 14.592 6.622 266 H SER 42 H SER 42 -0.033 15.144 2.270 267 HA SER 42 HA SER 42 1.940 14.076 3.953 268 HB2 SER 42 1HB SER 42 3.442 14.333 1.937 269 HB3 SER 42 2HB SER 42 1.938 13.462 1.636 270 HG SER 42 HG SER 42 2.840 15.684 0.462 271 H GLY 43 H GLY 43 1.989 17.180 2.183 272 HA2 GLY 43 1HA GLY 43 3.428 18.987 2.486 273 HA3 GLY 43 2HA GLY 43 2.649 18.957 4.061 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -10.473 -27.046 -2.445 2 HA2 GLY 1 1HA GLY 1 -12.766 -28.445 -2.416 3 HA3 GLY 1 2HA GLY 1 -13.278 -26.916 -1.718 4 H SER 2 H SER 2 -13.919 -28.311 -4.301 5 HA SER 2 HA SER 2 -12.797 -26.598 -6.337 6 HB2 SER 2 1HB SER 2 -14.326 -27.848 -7.861 7 HB3 SER 2 2HB SER 2 -13.276 -28.904 -6.917 8 HG SER 2 HG SER 2 -16.026 -28.575 -6.816 9 H SER 3 H SER 3 -14.038 -25.063 -4.412 10 HA SER 3 HA SER 3 -16.710 -24.382 -5.238 11 HB2 SER 3 1HB SER 3 -14.801 -23.013 -3.329 12 HB3 SER 3 2HB SER 3 -16.482 -22.542 -3.576 13 HG SER 3 HG SER 3 -16.333 -23.913 -1.797 14 H GLY 4 H GLY 4 -16.708 -23.671 -7.335 15 HA2 GLY 4 1HA GLY 4 -16.175 -22.356 -9.166 16 HA3 GLY 4 2HA GLY 4 -16.444 -21.072 -7.998 17 H SER 5 H SER 5 -14.876 -19.621 -8.042 18 HA SER 5 HA SER 5 -12.099 -20.521 -8.018 19 HB2 SER 5 1HB SER 5 -12.512 -20.141 -10.379 20 HB3 SER 5 2HB SER 5 -13.207 -18.556 -10.038 21 HG SER 5 HG SER 5 -11.099 -18.007 -9.156 22 H SER 6 H SER 6 -10.862 -19.351 -6.678 23 HA SER 6 HA SER 6 -12.040 -17.391 -5.005 24 HB2 SER 6 1HB SER 6 -9.771 -17.161 -4.044 25 HB3 SER 6 2HB SER 6 -10.255 -18.850 -4.194 26 HG SER 6 HG SER 6 -9.068 -18.786 -6.255 27 H GLY 7 H GLY 7 -9.528 -17.169 -7.523 28 HA2 GLY 7 1HA GLY 7 -9.319 -15.408 -9.071 29 HA3 GLY 7 2HA GLY 7 -10.389 -14.434 -8.075 30 H ASN 8 H ASN 8 -9.545 -13.105 -6.527 31 HA ASN 8 HA ASN 8 -6.805 -12.386 -6.791 32 HB2 ASN 8 1HB ASN 8 -8.854 -10.917 -6.137 33 HB3 ASN 8 2HB ASN 8 -8.530 -11.487 -4.502 34 HD21 ASN 8 1HD2 ASN 8 -7.711 -9.270 -6.908 35 HD22 ASN 8 2HD2 ASN 8 -6.337 -8.562 -6.134 36 H GLY 9 H GLY 9 -5.439 -12.055 -4.740 37 HA2 GLY 9 1HA GLY 9 -5.438 -14.614 -3.278 38 HA3 GLY 9 2HA GLY 9 -4.020 -13.618 -3.574 39 H ALA 10 H ALA 10 -3.481 -13.599 -1.372 40 HA ALA 10 HA ALA 10 -5.342 -12.145 0.383 41 HB1 ALA 10 3HB ALA 10 -4.189 -14.512 0.879 42 HB2 ALA 10 1HB ALA 10 -2.956 -13.440 1.545 43 HB3 ALA 10 2HB ALA 10 -4.613 -13.360 2.145 44 H PHE 11 H PHE 11 -4.883 -10.028 -0.067 45 HA PHE 11 HA PHE 11 -2.673 -8.716 -0.754 46 HB2 PHE 11 1HB PHE 11 -4.100 -7.583 1.615 47 HB3 PHE 11 2HB PHE 11 -3.576 -6.782 0.138 48 HD1 PHE 11 1HD PHE 11 -6.130 -9.005 1.593 49 HD2 PHE 11 2HD PHE 11 -5.003 -6.611 -1.740 50 HE1 PHE 11 1HE PHE 11 -8.409 -9.200 0.687 51 HE2 PHE 11 2HE PHE 11 -7.280 -6.801 -2.652 52 HZ PHE 11 HZ PHE 11 -8.987 -8.096 -1.438 53 H PHE 12 H PHE 12 -0.627 -8.972 -0.166 54 HA PHE 12 HA PHE 12 -0.006 -9.506 2.653 55 HB2 PHE 12 1HB PHE 12 1.062 -11.176 1.478 56 HB3 PHE 12 2HB PHE 12 1.338 -10.156 0.070 57 HD1 PHE 12 2HD PHE 12 3.248 -8.664 -0.032 58 HD2 PHE 12 1HD PHE 12 2.600 -11.194 3.329 59 HE1 PHE 12 2HE PHE 12 5.564 -8.276 0.702 60 HE2 PHE 12 1HE PHE 12 4.915 -10.810 4.069 61 HZ PHE 12 HZ PHE 12 6.401 -9.351 2.755 62 H CYS 13 H CYS 13 0.832 -7.954 3.871 63 HA CYS 13 HA CYS 13 1.381 -5.367 2.838 64 HB2 CYS 13 1HB CYS 13 0.522 -5.763 5.124 65 HB3 CYS 13 2HB CYS 13 2.056 -6.513 5.555 66 H ASN 14 H ASN 14 3.269 -4.371 2.350 67 HA ASN 14 HA ASN 14 5.593 -6.054 1.982 68 HB2 ASN 14 1HB ASN 14 5.076 -3.155 1.290 69 HB3 ASN 14 2HB ASN 14 6.555 -4.024 0.888 70 HD21 ASN 14 1HD2 ASN 14 4.271 -2.794 -0.688 71 HD22 ASN 14 2HD2 ASN 14 3.827 -4.034 -1.807 72 H GLU 15 H GLU 15 4.844 -3.033 3.710 73 HA GLU 15 HA GLU 15 7.234 -2.441 4.860 74 HB2 GLU 15 1HB GLU 15 4.425 -2.214 5.867 75 HB3 GLU 15 2HB GLU 15 5.758 -1.794 6.933 76 HG2 GLU 15 1HG GLU 15 5.481 -0.610 4.193 77 HG3 GLU 15 2HG GLU 15 4.682 0.083 5.603 78 H CYS 16 H CYS 16 4.932 -4.893 5.958 79 HA CYS 16 HA CYS 16 7.088 -6.092 7.554 80 HB2 CYS 16 1HB CYS 16 5.587 -6.558 9.382 81 HB3 CYS 16 2HB CYS 16 5.518 -4.833 9.033 82 H ASP 17 H ASP 17 6.383 -8.383 8.273 83 HA ASP 17 HA ASP 17 5.485 -9.764 5.867 84 HB2 ASP 17 1HB ASP 17 6.379 -11.778 6.914 85 HB3 ASP 17 2HB ASP 17 7.578 -10.489 6.953 86 H CYS 18 H CYS 18 3.246 -9.187 6.088 87 HA CYS 18 HA CYS 18 1.817 -11.059 7.808 88 HB2 CYS 18 1HB CYS 18 1.422 -8.069 7.844 89 HB3 CYS 18 2HB CYS 18 0.183 -9.189 8.396 90 HG CYS 18 HG CYS 18 3.160 -8.428 9.829 91 H ARG 19 H ARG 19 -0.133 -11.747 6.984 92 HA ARG 19 HA ARG 19 -0.747 -10.807 4.262 93 HB2 ARG 19 1HB ARG 19 -0.828 -13.492 5.556 94 HB3 ARG 19 2HB ARG 19 -2.012 -13.143 4.303 95 HG2 ARG 19 1HG ARG 19 0.026 -12.401 2.904 96 HG3 ARG 19 2HG ARG 19 0.964 -13.311 4.090 97 HD2 ARG 19 1HD ARG 19 -1.413 -14.617 2.872 98 HD3 ARG 19 2HD ARG 19 0.035 -14.436 1.882 99 HE ARG 19 HE ARG 19 -0.318 -16.185 4.150 100 HH11 ARG 19 1HH1 ARG 19 1.955 -14.563 2.070 101 HH12 ARG 19 2HH1 ARG 19 3.249 -15.665 2.407 102 HH21 ARG 19 1HH2 ARG 19 1.378 -17.642 4.601 103 HH22 ARG 19 2HH2 ARG 19 2.919 -17.416 3.846 104 H PHE 20 H PHE 20 -2.973 -10.697 3.624 105 HA PHE 20 HA PHE 20 -4.964 -10.714 5.753 106 HB2 PHE 20 1HB PHE 20 -4.480 -8.275 4.030 107 HB3 PHE 20 2HB PHE 20 -5.747 -8.458 5.239 108 HD1 PHE 20 2HD PHE 20 -4.970 -8.916 7.660 109 HD2 PHE 20 1HD PHE 20 -2.454 -7.333 4.614 110 HE1 PHE 20 2HE PHE 20 -3.458 -8.017 9.380 111 HE2 PHE 20 1HE PHE 20 -0.938 -6.432 6.329 112 HZ PHE 20 HZ PHE 20 -1.439 -6.773 8.716 113 H SER 21 H SER 21 -7.074 -10.987 5.036 114 HA SER 21 HA SER 21 -7.319 -11.684 2.187 115 HB2 SER 21 1HB SER 21 -8.945 -13.308 2.770 116 HB3 SER 21 2HB SER 21 -7.669 -13.480 3.975 117 HG SER 21 HG SER 21 -9.361 -13.332 5.258 118 H GLU 22 H GLU 22 -7.563 -8.997 3.073 119 HA GLU 22 HA GLU 22 -10.018 -8.295 1.852 120 HB2 GLU 22 1HB GLU 22 -10.840 -9.005 4.107 121 HB3 GLU 22 2HB GLU 22 -9.870 -7.722 4.815 122 HG2 GLU 22 1HG GLU 22 -12.225 -7.098 4.579 123 HG3 GLU 22 2HG GLU 22 -11.155 -6.047 3.653 124 H GLU 23 H GLU 23 -9.475 -6.537 0.759 125 HA GLU 23 HA GLU 23 -7.202 -5.054 0.979 126 HB2 GLU 23 1HB GLU 23 -9.087 -4.979 -0.797 127 HB3 GLU 23 2HB GLU 23 -9.780 -3.717 0.210 128 HG2 GLU 23 1HG GLU 23 -7.902 -2.310 -0.103 129 HG3 GLU 23 2HG GLU 23 -6.970 -3.610 -0.843 130 H ALA 24 H ALA 24 -10.353 -4.164 2.388 131 HA ALA 24 HA ALA 24 -9.708 -1.819 3.635 132 HB1 ALA 24 3HB ALA 24 -11.773 -3.772 3.868 133 HB2 ALA 24 1HB ALA 24 -11.298 -3.243 5.483 134 HB3 ALA 24 2HB ALA 24 -11.815 -2.058 4.282 135 H SER 25 H SER 25 -9.272 -5.089 4.971 136 HA SER 25 HA SER 25 -8.219 -4.363 7.444 137 HB2 SER 25 1HB SER 25 -7.617 -6.805 5.758 138 HB3 SER 25 2HB SER 25 -7.194 -6.632 7.461 139 HG SER 25 HG SER 25 -9.241 -7.742 6.941 140 H LEU 26 H LEU 26 -6.535 -5.021 4.387 141 HA LEU 26 HA LEU 26 -3.926 -4.624 5.369 142 HB2 LEU 26 1HB LEU 26 -4.158 -5.759 3.319 143 HB3 LEU 26 2HB LEU 26 -5.133 -4.465 2.625 144 HG LEU 26 HG LEU 26 -3.008 -3.036 2.794 145 HD11 LEU 26 1HD1 LEU 26 -1.859 -5.795 3.163 146 HD12 LEU 26 2HD1 LEU 26 -1.675 -4.400 4.225 147 HD13 LEU 26 3HD1 LEU 26 -0.921 -4.399 2.632 148 HD21 LEU 26 3HD2 LEU 26 -2.398 -5.106 0.828 149 HD22 LEU 26 1HD2 LEU 26 -2.781 -3.399 0.601 150 HD23 LEU 26 2HD2 LEU 26 -4.081 -4.575 0.797 151 H LYS 27 H LYS 27 -5.951 -2.435 3.408 152 HA LYS 27 HA LYS 27 -4.324 -0.211 3.443 153 HB2 LYS 27 1HB LYS 27 -7.298 -0.557 3.308 154 HB3 LYS 27 2HB LYS 27 -6.612 1.059 3.396 155 HG2 LYS 27 1HG LYS 27 -5.588 0.878 1.326 156 HG3 LYS 27 2HG LYS 27 -5.642 -0.886 1.344 157 HD2 LYS 27 1HD LYS 27 -7.289 -0.220 -0.205 158 HD3 LYS 27 2HD LYS 27 -8.172 -0.661 1.259 159 HE2 LYS 27 1HE LYS 27 -9.117 1.367 0.454 160 HE3 LYS 27 2HE LYS 27 -8.161 1.771 1.879 161 HZ1 LYS 27 3HZ LYS 27 -6.319 2.280 0.209 162 HZ2 LYS 27 1HZ LYS 27 -7.594 3.386 0.330 163 HZ3 LYS 27 2HZ LYS 27 -7.542 2.295 -0.960 164 H ARG 28 H ARG 28 -6.873 -1.048 5.785 165 HA ARG 28 HA ARG 28 -6.526 1.172 7.461 166 HB2 ARG 28 1HB ARG 28 -8.480 -0.343 7.540 167 HB3 ARG 28 2HB ARG 28 -7.457 -1.603 8.218 168 HG2 ARG 28 1HG ARG 28 -7.565 1.014 9.616 169 HG3 ARG 28 2HG ARG 28 -8.956 -0.064 9.740 170 HD2 ARG 28 1HD ARG 28 -6.116 -0.863 10.358 171 HD3 ARG 28 2HD ARG 28 -7.289 -0.342 11.567 172 HE ARG 28 HE ARG 28 -8.452 -2.422 10.146 173 HH11 ARG 28 1HH1 ARG 28 -5.709 -1.922 12.230 174 HH12 ARG 28 2HH1 ARG 28 -5.711 -3.544 12.840 175 HH21 ARG 28 1HH2 ARG 28 -8.466 -4.560 10.941 176 HH22 ARG 28 2HH2 ARG 28 -7.279 -5.044 12.105 177 H HIS 29 H HIS 29 -5.109 -2.081 7.615 178 HA HIS 29 HA HIS 29 -3.671 -1.772 9.985 179 HB2 HIS 29 1HB HIS 29 -3.699 -3.964 9.278 180 HB3 HIS 29 2HB HIS 29 -3.424 -3.537 7.592 181 HD1 HIS 29 1HD HIS 29 -1.674 -4.495 10.701 182 HD2 HIS 29 2HD HIS 29 -0.686 -3.062 6.928 183 HE1 HIS 29 1HE HIS 29 0.804 -4.860 10.470 184 H THR 30 H THR 30 -2.623 -1.218 6.630 185 HA THR 30 HA THR 30 -0.010 -0.403 7.196 186 HB THR 30 HB THR 30 -1.737 0.570 4.912 187 HG1 THR 30 1HG THR 30 0.087 -1.556 4.682 188 HG21 THR 30 3HG2 THR 30 0.679 0.458 3.850 189 HG22 THR 30 1HG2 THR 30 1.176 0.687 5.525 190 HG23 THR 30 2HG2 THR 30 0.139 1.880 4.742 191 H LEU 31 H LEU 31 -3.031 1.282 7.477 192 HA LEU 31 HA LEU 31 -1.815 3.897 7.658 193 HB2 LEU 31 1HB LEU 31 -4.620 2.896 8.084 194 HB3 LEU 31 2HB LEU 31 -4.152 4.577 8.332 195 HG LEU 31 HG LEU 31 -3.699 3.222 5.695 196 HD11 LEU 31 1HD1 LEU 31 -5.858 4.086 4.946 197 HD12 LEU 31 2HD1 LEU 31 -6.224 4.604 6.591 198 HD13 LEU 31 3HD1 LEU 31 -6.051 2.888 6.225 199 HD21 LEU 31 3HD2 LEU 31 -4.456 5.941 5.516 200 HD22 LEU 31 1HD2 LEU 31 -2.886 5.216 5.168 201 HD23 LEU 31 2HD2 LEU 31 -3.242 5.811 6.790 202 H GLN 32 H GLN 32 -3.279 1.546 9.863 203 HA GLN 32 HA GLN 32 -2.761 3.209 12.172 204 HB2 GLN 32 1HB GLN 32 -3.805 0.384 11.924 205 HB3 GLN 32 2HB GLN 32 -3.656 1.257 13.443 206 HG2 GLN 32 1HG GLN 32 -5.229 2.441 11.203 207 HG3 GLN 32 2HG GLN 32 -5.934 1.170 12.202 208 HE21 GLN 32 1HE2 GLN 32 -6.992 1.810 13.931 209 HE22 GLN 32 2HE2 GLN 32 -6.800 3.324 14.742 210 H THR 33 H THR 33 -1.751 -0.078 11.216 211 HA THR 33 HA THR 33 0.208 -0.436 13.145 212 HB THR 33 HB THR 33 0.178 -1.521 10.322 213 HG1 THR 33 1HG THR 33 -0.976 -2.345 12.768 214 HG21 THR 33 3HG2 THR 33 1.428 -3.383 11.885 215 HG22 THR 33 1HG2 THR 33 2.037 -1.874 12.561 216 HG23 THR 33 2HG2 THR 33 2.250 -2.221 10.845 217 H HIS 34 H HIS 34 0.542 0.895 9.866 218 HA HIS 34 HA HIS 34 3.228 1.847 10.602 219 HB2 HIS 34 1HB HIS 34 2.109 1.580 7.809 220 HB3 HIS 34 2HB HIS 34 3.785 1.867 8.268 221 HD1 HIS 34 1HD HIS 34 4.503 -0.286 10.118 222 HD2 HIS 34 2HD HIS 34 1.913 -0.960 6.939 223 HE1 HIS 34 1HE HIS 34 4.587 -2.764 9.696 224 H SER 35 H SER 35 3.624 3.971 10.701 225 HA SER 35 HA SER 35 1.833 5.854 9.375 226 HB2 SER 35 1HB SER 35 2.160 5.584 12.339 227 HB3 SER 35 2HB SER 35 1.913 7.187 11.647 228 HG SER 35 HG SER 35 -0.094 6.394 12.069 229 H ASP 36 H ASP 36 2.690 8.204 10.028 230 HA ASP 36 HA ASP 36 5.476 8.466 10.515 231 HB2 ASP 36 1HB ASP 36 5.638 7.541 8.251 232 HB3 ASP 36 2HB ASP 36 4.565 8.801 7.649 233 H LYS 37 H LYS 37 5.835 10.453 11.270 234 HA LYS 37 HA LYS 37 3.719 12.442 10.982 235 HB2 LYS 37 1HB LYS 37 4.901 13.632 12.796 236 HB3 LYS 37 2HB LYS 37 4.477 11.984 13.241 237 HG2 LYS 37 1HG LYS 37 6.700 11.248 13.055 238 HG3 LYS 37 2HG LYS 37 7.194 12.705 12.190 239 HD2 LYS 37 1HD LYS 37 6.148 12.784 15.009 240 HD3 LYS 37 2HD LYS 37 7.857 12.536 14.644 241 HE2 LYS 37 1HE LYS 37 7.976 14.652 13.512 242 HE3 LYS 37 2HE LYS 37 6.235 14.879 13.662 243 HZ1 LYS 37 3HZ LYS 37 8.241 15.616 15.470 244 HZ2 LYS 37 1HZ LYS 37 7.280 14.441 16.217 245 HZ3 LYS 37 2HZ LYS 37 6.571 15.850 15.606 246 H SER 38 H SER 38 7.156 12.009 10.327 247 HA SER 38 HA SER 38 7.053 14.034 8.278 248 HB2 SER 38 1HB SER 38 8.661 14.440 10.799 249 HB3 SER 38 2HB SER 38 9.068 15.248 9.285 250 HG SER 38 HG SER 38 6.422 15.400 10.136 251 H GLY 39 H GLY 39 7.987 13.000 6.645 252 HA2 GLY 39 1HA GLY 39 10.489 12.460 6.095 253 HA3 GLY 39 2HA GLY 39 10.173 11.125 7.193 254 HA PRO 40 HA PRO 40 7.469 10.509 3.197 255 HB2 PRO 40 1HB PRO 40 8.353 11.860 1.014 256 HB3 PRO 40 2HB PRO 40 7.141 12.513 2.122 257 HG2 PRO 40 1HG PRO 40 10.079 13.071 1.985 258 HG3 PRO 40 2HG PRO 40 8.735 14.203 2.222 259 HD2 PRO 40 1HD PRO 40 10.265 13.308 4.270 260 HD3 PRO 40 2HD PRO 40 8.545 13.704 4.465 261 H SER 41 H SER 41 10.866 11.336 2.483 262 HA SER 41 HA SER 41 11.459 9.492 0.563 263 HB2 SER 41 1HB SER 41 13.789 9.522 1.422 264 HB3 SER 41 2HB SER 41 13.088 11.137 1.324 265 HG SER 41 HG SER 41 12.788 9.767 3.728 266 H SER 42 H SER 42 11.572 7.346 0.415 267 HA SER 42 HA SER 42 11.775 5.760 2.880 268 HB2 SER 42 1HB SER 42 9.850 5.209 0.608 269 HB3 SER 42 2HB SER 42 10.079 4.197 2.034 270 HG SER 42 HG SER 42 8.551 5.406 2.828 271 H GLY 43 H GLY 43 11.708 5.460 -0.678 272 HA2 GLY 43 1HA GLY 43 13.131 4.375 -2.119 273 HA3 GLY 43 2HA GLY 43 14.329 4.404 -0.833 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -7.939 -17.818 8.235 2 HA2 GLY 1 1HA GLY 1 -9.427 -19.922 9.261 3 HA3 GLY 1 2HA GLY 1 -8.782 -20.482 7.726 4 H SER 2 H SER 2 -8.264 -20.823 10.828 5 HA SER 2 HA SER 2 -5.411 -20.307 10.926 6 HB2 SER 2 1HB SER 2 -7.419 -21.375 12.898 7 HB3 SER 2 2HB SER 2 -5.688 -21.471 13.218 8 HG SER 2 HG SER 2 -7.350 -19.352 13.423 9 H SER 3 H SER 3 -7.578 -23.114 10.935 10 HA SER 3 HA SER 3 -5.470 -25.032 11.008 11 HB2 SER 3 1HB SER 3 -8.325 -25.434 10.089 12 HB3 SER 3 2HB SER 3 -7.201 -26.685 10.619 13 HG SER 3 HG SER 3 -8.799 -25.857 12.204 14 H GLY 4 H GLY 4 -4.357 -25.971 9.394 15 HA2 GLY 4 1HA GLY 4 -3.567 -26.398 7.281 16 HA3 GLY 4 2HA GLY 4 -5.232 -26.250 6.737 17 H SER 5 H SER 5 -3.672 -25.415 4.903 18 HA SER 5 HA SER 5 -3.358 -22.505 5.240 19 HB2 SER 5 1HB SER 5 -1.225 -23.447 4.749 20 HB3 SER 5 2HB SER 5 -1.891 -24.468 3.475 21 HG SER 5 HG SER 5 -1.709 -22.868 2.128 22 H SER 6 H SER 6 -5.618 -22.221 4.763 23 HA SER 6 HA SER 6 -6.212 -22.488 1.888 24 HB2 SER 6 1HB SER 6 -8.635 -22.598 2.587 25 HB3 SER 6 2HB SER 6 -7.667 -23.994 3.060 26 HG SER 6 HG SER 6 -7.612 -23.244 5.141 27 H GLY 7 H GLY 7 -6.399 -20.610 0.871 28 HA2 GLY 7 1HA GLY 7 -7.666 -18.510 0.721 29 HA3 GLY 7 2HA GLY 7 -7.313 -18.269 2.425 30 H ASN 8 H ASN 8 -5.460 -18.963 -0.546 31 HA ASN 8 HA ASN 8 -3.257 -17.352 0.398 32 HB2 ASN 8 1HB ASN 8 -3.724 -18.861 -2.179 33 HB3 ASN 8 2HB ASN 8 -2.254 -17.953 -1.836 34 HD21 ASN 8 1HD2 ASN 8 -1.607 -20.325 -2.330 35 HD22 ASN 8 2HD2 ASN 8 -1.369 -21.318 -0.935 36 H GLY 9 H GLY 9 -4.108 -15.260 0.530 37 HA2 GLY 9 1HA GLY 9 -5.133 -14.050 -1.931 38 HA3 GLY 9 2HA GLY 9 -5.180 -13.334 -0.327 39 H ALA 10 H ALA 10 -4.378 -11.866 -2.520 40 HA ALA 10 HA ALA 10 -1.455 -11.693 -2.224 41 HB1 ALA 10 3HB ALA 10 -2.197 -12.044 -4.514 42 HB2 ALA 10 1HB ALA 10 -3.222 -10.612 -4.416 43 HB3 ALA 10 2HB ALA 10 -1.468 -10.448 -4.335 44 H PHE 11 H PHE 11 -3.082 -10.674 -0.181 45 HA PHE 11 HA PHE 11 -2.747 -7.769 -0.543 46 HB2 PHE 11 1HB PHE 11 -4.680 -9.146 1.330 47 HB3 PHE 11 2HB PHE 11 -4.559 -7.417 1.026 48 HD1 PHE 11 2HD PHE 11 -4.563 -7.017 -1.735 49 HD2 PHE 11 1HD PHE 11 -6.580 -10.059 0.454 50 HE1 PHE 11 2HE PHE 11 -6.214 -7.222 -3.548 51 HE2 PHE 11 1HE PHE 11 -8.234 -10.269 -1.356 52 HZ PHE 11 HZ PHE 11 -8.053 -8.849 -3.360 53 H PHE 12 H PHE 12 -0.549 -9.187 0.178 54 HA PHE 12 HA PHE 12 -0.327 -9.073 3.086 55 HB2 PHE 12 1HB PHE 12 1.968 -10.033 2.647 56 HB3 PHE 12 2HB PHE 12 0.622 -11.045 2.132 57 HD1 PHE 12 2HD PHE 12 0.084 -11.266 -0.258 58 HD2 PHE 12 1HD PHE 12 3.512 -9.129 1.082 59 HE1 PHE 12 2HE PHE 12 1.036 -11.380 -2.524 60 HE2 PHE 12 1HE PHE 12 4.470 -9.239 -1.181 61 HZ PHE 12 HZ PHE 12 3.233 -10.366 -2.988 62 H CYS 13 H CYS 13 0.815 -7.571 4.179 63 HA CYS 13 HA CYS 13 1.330 -5.073 3.098 64 HB2 CYS 13 1HB CYS 13 1.201 -5.930 5.590 65 HB3 CYS 13 2HB CYS 13 2.952 -6.021 5.425 66 H ASN 14 H ASN 14 3.387 -3.939 2.850 67 HA ASN 14 HA ASN 14 5.354 -5.657 1.521 68 HB2 ASN 14 1HB ASN 14 4.977 -2.656 1.388 69 HB3 ASN 14 2HB ASN 14 6.157 -3.579 0.462 70 HD21 ASN 14 1HD2 ASN 14 4.049 -1.890 -0.524 71 HD22 ASN 14 2HD2 ASN 14 3.024 -2.886 -1.495 72 H GLU 15 H GLU 15 5.378 -2.719 3.551 73 HA GLU 15 HA GLU 15 8.076 -2.849 4.260 74 HB2 GLU 15 1HB GLU 15 7.374 -1.431 6.231 75 HB3 GLU 15 2HB GLU 15 6.914 -0.816 4.650 76 HG2 GLU 15 1HG GLU 15 4.964 -2.508 6.113 77 HG3 GLU 15 2HG GLU 15 5.230 -0.858 6.675 78 H CYS 16 H CYS 16 5.458 -4.791 5.243 79 HA CYS 16 HA CYS 16 7.183 -6.229 7.090 80 HB2 CYS 16 1HB CYS 16 5.872 -6.036 8.985 81 HB3 CYS 16 2HB CYS 16 5.706 -4.425 8.295 82 H ASP 17 H ASP 17 5.840 -8.202 7.981 83 HA ASP 17 HA ASP 17 4.531 -9.406 5.640 84 HB2 ASP 17 1HB ASP 17 5.152 -11.572 6.593 85 HB3 ASP 17 2HB ASP 17 6.570 -10.542 6.415 86 H CYS 18 H CYS 18 2.402 -8.920 5.881 87 HA CYS 18 HA CYS 18 1.020 -10.216 8.088 88 HB2 CYS 18 1HB CYS 18 1.090 -7.268 7.638 89 HB3 CYS 18 2HB CYS 18 -0.428 -7.990 8.158 90 HG CYS 18 HG CYS 18 0.386 -7.330 10.561 91 H ARG 19 H ARG 19 -0.332 -11.522 7.050 92 HA ARG 19 HA ARG 19 -1.404 -10.815 4.457 93 HB2 ARG 19 1HB ARG 19 -0.624 -13.124 5.007 94 HB3 ARG 19 2HB ARG 19 -1.961 -13.262 6.140 95 HG2 ARG 19 1HG ARG 19 -3.564 -13.112 4.375 96 HG3 ARG 19 2HG ARG 19 -2.305 -12.728 3.200 97 HD2 ARG 19 1HD ARG 19 -2.368 -15.299 4.762 98 HD3 ARG 19 2HD ARG 19 -3.144 -15.111 3.191 99 HE ARG 19 HE ARG 19 -0.588 -14.280 2.768 100 HH11 ARG 19 1HH1 ARG 19 -2.032 -17.174 4.059 101 HH12 ARG 19 2HH1 ARG 19 -0.750 -18.209 3.522 102 HH21 ARG 19 1HH2 ARG 19 1.105 -15.633 2.057 103 HH22 ARG 19 2HH2 ARG 19 1.034 -17.331 2.385 104 H PHE 20 H PHE 20 -3.652 -10.765 3.957 105 HA PHE 20 HA PHE 20 -5.540 -10.557 6.155 106 HB2 PHE 20 1HB PHE 20 -5.097 -8.247 4.252 107 HB3 PHE 20 2HB PHE 20 -6.321 -8.331 5.514 108 HD1 PHE 20 2HD PHE 20 -5.687 -8.178 7.872 109 HD2 PHE 20 1HD PHE 20 -2.817 -7.748 4.759 110 HE1 PHE 20 2HE PHE 20 -4.106 -7.182 9.472 111 HE2 PHE 20 1HE PHE 20 -1.230 -6.752 6.354 112 HZ PHE 20 HZ PHE 20 -1.875 -6.467 8.714 113 H SER 21 H SER 21 -7.403 -11.466 5.591 114 HA SER 21 HA SER 21 -7.841 -12.637 3.099 115 HB2 SER 21 1HB SER 21 -8.999 -13.475 5.036 116 HB3 SER 21 2HB SER 21 -9.792 -11.921 5.298 117 HG SER 21 HG SER 21 -10.832 -12.253 3.246 118 H GLU 22 H GLU 22 -9.159 -9.629 4.452 119 HA GLU 22 HA GLU 22 -10.290 -8.967 1.832 120 HB2 GLU 22 1HB GLU 22 -11.649 -8.793 3.980 121 HB3 GLU 22 2HB GLU 22 -10.638 -7.415 4.393 122 HG2 GLU 22 1HG GLU 22 -11.411 -6.183 2.508 123 HG3 GLU 22 2HG GLU 22 -12.250 -7.593 1.863 124 H GLU 23 H GLU 23 -9.711 -7.149 0.689 125 HA GLU 23 HA GLU 23 -7.055 -6.262 0.907 126 HB2 GLU 23 1HB GLU 23 -8.431 -6.257 -1.183 127 HB3 GLU 23 2HB GLU 23 -9.314 -4.877 -0.544 128 HG2 GLU 23 1HG GLU 23 -7.293 -3.549 -0.529 129 HG3 GLU 23 2HG GLU 23 -6.353 -4.935 -1.078 130 H ALA 24 H ALA 24 -10.113 -4.741 1.851 131 HA ALA 24 HA ALA 24 -9.268 -2.237 2.583 132 HB1 ALA 24 3HB ALA 24 -11.252 -2.013 3.685 133 HB2 ALA 24 1HB ALA 24 -11.612 -3.452 2.731 134 HB3 ALA 24 2HB ALA 24 -11.150 -3.609 4.427 135 H SER 25 H SER 25 -9.395 -5.081 4.735 136 HA SER 25 HA SER 25 -8.383 -4.040 7.034 137 HB2 SER 25 1HB SER 25 -8.171 -6.721 5.751 138 HB3 SER 25 2HB SER 25 -7.144 -6.400 7.148 139 HG SER 25 HG SER 25 -9.376 -7.285 7.488 140 H LEU 26 H LEU 26 -6.388 -5.452 4.436 141 HA LEU 26 HA LEU 26 -3.884 -5.052 5.385 142 HB2 LEU 26 1HB LEU 26 -4.071 -6.072 3.292 143 HB3 LEU 26 2HB LEU 26 -4.996 -4.730 2.622 144 HG LEU 26 HG LEU 26 -2.889 -3.352 2.772 145 HD11 LEU 26 1HD1 LEU 26 -0.774 -4.640 2.848 146 HD12 LEU 26 2HD1 LEU 26 -1.696 -6.063 3.331 147 HD13 LEU 26 3HD1 LEU 26 -1.652 -4.644 4.377 148 HD21 LEU 26 3HD2 LEU 26 -3.218 -5.724 0.978 149 HD22 LEU 26 1HD2 LEU 26 -1.815 -4.667 0.815 150 HD23 LEU 26 2HD2 LEU 26 -3.441 -4.010 0.622 151 H LYS 27 H LYS 27 -5.491 -2.633 3.310 152 HA LYS 27 HA LYS 27 -3.730 -0.566 3.551 153 HB2 LYS 27 1HB LYS 27 -6.683 -0.701 3.187 154 HB3 LYS 27 2HB LYS 27 -5.977 0.871 3.541 155 HG2 LYS 27 1HG LYS 27 -6.018 0.818 1.230 156 HG3 LYS 27 2HG LYS 27 -4.362 0.339 1.608 157 HD2 LYS 27 1HD LYS 27 -5.037 -2.031 1.378 158 HD3 LYS 27 2HD LYS 27 -6.651 -1.498 0.904 159 HE2 LYS 27 1HE LYS 27 -5.788 -0.429 -1.059 160 HE3 LYS 27 2HE LYS 27 -4.126 -0.716 -0.544 161 HZ1 LYS 27 3HZ LYS 27 -4.941 -3.192 -0.580 162 HZ2 LYS 27 1HZ LYS 27 -4.411 -2.429 -1.994 163 HZ3 LYS 27 2HZ LYS 27 -6.067 -2.587 -1.687 164 H ARG 28 H ARG 28 -6.604 -0.936 5.639 165 HA ARG 28 HA ARG 28 -6.166 1.074 7.424 166 HB2 ARG 28 1HB ARG 28 -8.147 -0.339 7.504 167 HB3 ARG 28 2HB ARG 28 -7.177 -1.708 8.033 168 HG2 ARG 28 1HG ARG 28 -8.252 -0.880 9.955 169 HG3 ARG 28 2HG ARG 28 -6.575 -0.343 10.066 170 HD2 ARG 28 1HD ARG 28 -8.047 1.469 10.682 171 HD3 ARG 28 2HD ARG 28 -7.251 1.848 9.155 172 HE ARG 28 HE ARG 28 -9.578 0.736 8.361 173 HH11 ARG 28 1HH1 ARG 28 -8.807 3.287 10.601 174 HH12 ARG 28 2HH1 ARG 28 -10.286 4.148 10.332 175 HH21 ARG 28 1HH2 ARG 28 -11.529 1.860 7.998 176 HH22 ARG 28 2HH2 ARG 28 -11.834 3.335 8.852 177 H HIS 29 H HIS 29 -4.971 -2.264 7.829 178 HA HIS 29 HA HIS 29 -3.553 -2.028 10.139 179 HB2 HIS 29 1HB HIS 29 -3.499 -4.171 9.289 180 HB3 HIS 29 2HB HIS 29 -3.124 -3.629 7.656 181 HD1 HIS 29 1HD HIS 29 -1.525 -4.540 10.902 182 HD2 HIS 29 2HD HIS 29 -0.394 -3.285 7.107 183 HE1 HIS 29 1HE HIS 29 0.961 -4.903 10.787 184 H THR 30 H THR 30 -2.400 -1.159 6.895 185 HA THR 30 HA THR 30 0.185 -0.367 7.628 186 HB THR 30 HB THR 30 -1.490 0.735 5.365 187 HG1 THR 30 1HG THR 30 -0.606 -0.943 4.162 188 HG21 THR 30 3HG2 THR 30 1.502 0.512 5.427 189 HG22 THR 30 1HG2 THR 30 0.682 1.927 6.085 190 HG23 THR 30 2HG2 THR 30 0.486 1.506 4.384 191 H LEU 31 H LEU 31 -2.862 1.407 7.568 192 HA LEU 31 HA LEU 31 -1.698 3.947 8.144 193 HB2 LEU 31 1HB LEU 31 -4.458 2.829 8.077 194 HB3 LEU 31 2HB LEU 31 -4.186 4.371 8.886 195 HG LEU 31 HG LEU 31 -4.976 4.573 6.537 196 HD11 LEU 31 1HD1 LEU 31 -3.486 6.344 5.949 197 HD12 LEU 31 2HD1 LEU 31 -2.198 5.664 6.943 198 HD13 LEU 31 3HD1 LEU 31 -3.644 6.327 7.706 199 HD21 LEU 31 3HD2 LEU 31 -2.382 3.158 6.017 200 HD22 LEU 31 1HD2 LEU 31 -3.121 4.208 4.808 201 HD23 LEU 31 2HD2 LEU 31 -3.990 2.790 5.394 202 H GLN 32 H GLN 32 -3.105 1.361 10.076 203 HA GLN 32 HA GLN 32 -2.987 2.843 12.533 204 HB2 GLN 32 1HB GLN 32 -3.432 -0.091 11.967 205 HB3 GLN 32 2HB GLN 32 -3.514 0.624 13.572 206 HG2 GLN 32 1HG GLN 32 -5.237 2.228 12.370 207 HG3 GLN 32 2HG GLN 32 -5.398 0.841 11.294 208 HE21 GLN 32 1HE2 GLN 32 -7.354 0.094 11.850 209 HE22 GLN 32 2HE2 GLN 32 -7.792 -0.437 13.435 210 H THR 33 H THR 33 -1.350 -0.178 11.570 211 HA THR 33 HA THR 33 0.612 -0.052 13.575 212 HB THR 33 HB THR 33 0.817 -1.451 10.902 213 HG1 THR 33 1HG THR 33 0.054 -2.688 13.322 214 HG21 THR 33 3HG2 THR 33 2.565 -1.294 13.221 215 HG22 THR 33 1HG2 THR 33 2.883 -1.941 11.612 216 HG23 THR 33 2HG2 THR 33 2.111 -2.953 12.833 217 H HIS 34 H HIS 34 0.849 0.740 10.107 218 HA HIS 34 HA HIS 34 3.365 2.148 10.649 219 HB2 HIS 34 1HB HIS 34 2.197 1.613 7.924 220 HB3 HIS 34 2HB HIS 34 3.872 1.955 8.346 221 HD1 HIS 34 1HD HIS 34 4.374 -0.127 10.506 222 HD2 HIS 34 2HD HIS 34 2.318 -0.927 6.985 223 HE1 HIS 34 1HE HIS 34 4.571 -2.611 10.162 224 H SER 35 H SER 35 3.543 4.026 8.796 225 HA SER 35 HA SER 35 1.193 5.588 8.424 226 HB2 SER 35 1HB SER 35 1.429 6.049 10.793 227 HB3 SER 35 2HB SER 35 3.129 6.463 10.580 228 HG SER 35 HG SER 35 2.545 8.290 9.487 229 H ASP 36 H ASP 36 1.517 7.269 6.999 230 HA ASP 36 HA ASP 36 4.270 7.892 6.213 231 HB2 ASP 36 1HB ASP 36 2.203 7.413 4.088 232 HB3 ASP 36 2HB ASP 36 3.958 7.415 3.947 233 H LYS 37 H LYS 37 4.595 9.996 5.826 234 HA LYS 37 HA LYS 37 2.645 11.912 6.434 235 HB2 LYS 37 1HB LYS 37 5.224 12.231 4.888 236 HB3 LYS 37 2HB LYS 37 4.268 13.558 5.535 237 HG2 LYS 37 1HG LYS 37 5.439 11.375 7.240 238 HG3 LYS 37 2HG LYS 37 6.259 12.901 6.901 239 HD2 LYS 37 1HD LYS 37 4.391 14.127 7.897 240 HD3 LYS 37 2HD LYS 37 3.561 12.604 8.225 241 HE2 LYS 37 1HE LYS 37 4.551 13.016 10.258 242 HE3 LYS 37 2HE LYS 37 5.775 12.012 9.484 243 HZ1 LYS 37 3HZ LYS 37 6.835 14.159 8.760 244 HZ2 LYS 37 1HZ LYS 37 6.905 13.830 10.418 245 HZ3 LYS 37 2HZ LYS 37 5.788 14.953 9.825 246 H SER 38 H SER 38 4.004 10.981 3.276 247 HA SER 38 HA SER 38 2.797 12.619 1.537 248 HB2 SER 38 1HB SER 38 4.153 10.435 1.112 249 HB3 SER 38 2HB SER 38 2.569 9.669 1.009 250 HG SER 38 HG SER 38 3.557 11.800 -0.581 251 H GLY 39 H GLY 39 0.824 12.623 0.311 252 HA2 GLY 39 1HA GLY 39 -1.480 12.935 0.449 253 HA3 GLY 39 2HA GLY 39 -1.415 11.179 0.447 254 HA PRO 40 HA PRO 40 -3.511 11.258 4.309 255 HB2 PRO 40 1HB PRO 40 -2.878 8.768 5.188 256 HB3 PRO 40 2HB PRO 40 -4.045 9.062 3.893 257 HG2 PRO 40 1HG PRO 40 -1.167 8.261 3.703 258 HG3 PRO 40 2HG PRO 40 -2.560 7.655 2.788 259 HD2 PRO 40 1HD PRO 40 -0.831 9.474 1.773 260 HD3 PRO 40 2HD PRO 40 -2.553 9.451 1.344 261 H SER 41 H SER 41 -2.371 12.803 5.493 262 HA SER 41 HA SER 41 0.077 11.980 6.856 263 HB2 SER 41 1HB SER 41 -1.252 14.586 6.283 264 HB3 SER 41 2HB SER 41 -0.244 14.483 7.726 265 HG SER 41 HG SER 41 0.702 15.049 5.507 266 H SER 42 H SER 42 -2.116 10.556 7.701 267 HA SER 42 HA SER 42 -3.294 11.746 10.033 268 HB2 SER 42 1HB SER 42 -3.344 8.988 8.829 269 HB3 SER 42 2HB SER 42 -4.043 9.300 10.418 270 HG SER 42 HG SER 42 -5.420 9.508 8.418 271 H GLY 43 H GLY 43 -1.227 8.854 9.670 272 HA2 GLY 43 1HA GLY 43 0.067 7.800 11.289 273 HA3 GLY 43 2HA GLY 43 0.858 9.369 11.268 Start of MODEL 17 1 H1 GLY 1 H GLY 1 15.075 -20.116 6.073 2 HA2 GLY 1 1HA GLY 1 16.577 -19.188 4.517 3 HA3 GLY 1 2HA GLY 1 17.771 -20.388 4.988 4 H SER 2 H SER 2 14.576 -20.187 3.426 5 HA SER 2 HA SER 2 15.563 -21.946 1.312 6 HB2 SER 2 1HB SER 2 14.519 -23.515 2.815 7 HB3 SER 2 2HB SER 2 13.090 -22.493 2.967 8 HG SER 2 HG SER 2 12.636 -22.895 0.785 9 H SER 3 H SER 3 14.936 -21.284 -0.642 10 HA SER 3 HA SER 3 12.755 -19.308 -0.790 11 HB2 SER 3 1HB SER 3 13.882 -18.326 -2.702 12 HB3 SER 3 2HB SER 3 15.019 -18.432 -1.358 13 HG SER 3 HG SER 3 15.474 -19.291 -3.711 14 H GLY 4 H GLY 4 11.215 -19.487 -2.400 15 HA2 GLY 4 1HA GLY 4 10.880 -20.692 -4.663 16 HA3 GLY 4 2HA GLY 4 11.097 -22.132 -3.681 17 H SER 5 H SER 5 8.790 -21.540 -5.221 18 HA SER 5 HA SER 5 6.516 -21.363 -5.096 19 HB2 SER 5 1HB SER 5 7.044 -22.655 -2.408 20 HB3 SER 5 2HB SER 5 5.495 -22.639 -3.250 21 HG SER 5 HG SER 5 7.580 -24.303 -3.575 22 H SER 6 H SER 6 7.748 -18.976 -4.437 23 HA SER 6 HA SER 6 7.050 -17.810 -2.013 24 HB2 SER 6 1HB SER 6 7.612 -16.755 -4.751 25 HB3 SER 6 2HB SER 6 6.939 -15.653 -3.550 26 HG SER 6 HG SER 6 8.871 -15.517 -2.766 27 H GLY 7 H GLY 7 5.402 -16.050 -1.709 28 HA2 GLY 7 1HA GLY 7 3.253 -15.148 -2.098 29 HA3 GLY 7 2HA GLY 7 2.934 -16.458 -3.226 30 H ASN 8 H ASN 8 1.946 -15.247 -0.406 31 HA ASN 8 HA ASN 8 1.184 -17.897 0.627 32 HB2 ASN 8 1HB ASN 8 1.106 -16.607 2.906 33 HB3 ASN 8 2HB ASN 8 2.643 -17.213 2.295 34 HD21 ASN 8 1HD2 ASN 8 4.260 -15.828 2.020 35 HD22 ASN 8 2HD2 ASN 8 4.131 -14.108 2.127 36 H GLY 9 H GLY 9 0.351 -14.444 0.525 37 HA2 GLY 9 1HA GLY 9 -2.490 -15.245 0.571 38 HA3 GLY 9 2HA GLY 9 -1.911 -13.885 1.522 39 H ALA 10 H ALA 10 -3.751 -12.945 0.161 40 HA ALA 10 HA ALA 10 -2.927 -12.244 -2.550 41 HB1 ALA 10 3HB ALA 10 -5.102 -12.215 -2.980 42 HB2 ALA 10 1HB ALA 10 -5.413 -12.673 -1.305 43 HB3 ALA 10 2HB ALA 10 -5.363 -10.969 -1.760 44 H PHE 11 H PHE 11 -3.920 -10.587 0.444 45 HA PHE 11 HA PHE 11 -2.593 -8.157 -0.554 46 HB2 PHE 11 1HB PHE 11 -4.511 -8.234 1.764 47 HB3 PHE 11 2HB PHE 11 -4.055 -6.860 0.760 48 HD1 PHE 11 2HD PHE 11 -4.738 -6.983 -1.732 49 HD2 PHE 11 1HD PHE 11 -6.471 -9.374 1.334 50 HE1 PHE 11 2HE PHE 11 -6.713 -7.363 -3.149 51 HE2 PHE 11 1HE PHE 11 -8.448 -9.759 -0.079 52 HZ PHE 11 HZ PHE 11 -8.572 -8.752 -2.323 53 H PHE 12 H PHE 12 -0.501 -8.797 0.078 54 HA PHE 12 HA PHE 12 -0.059 -9.105 2.964 55 HB2 PHE 12 1HB PHE 12 2.183 -9.933 2.337 56 HB3 PHE 12 2HB PHE 12 0.898 -10.876 1.588 57 HD1 PHE 12 2HD PHE 12 0.313 -10.404 -0.825 58 HD2 PHE 12 1HD PHE 12 3.830 -8.902 1.044 59 HE1 PHE 12 2HE PHE 12 1.321 -10.022 -3.036 60 HE2 PHE 12 1HE PHE 12 4.843 -8.517 -1.165 61 HZ PHE 12 HZ PHE 12 3.589 -9.078 -3.209 62 H CYS 13 H CYS 13 0.822 -7.517 4.116 63 HA CYS 13 HA CYS 13 1.263 -4.958 3.078 64 HB2 CYS 13 1HB CYS 13 0.753 -5.461 5.460 65 HB3 CYS 13 2HB CYS 13 2.381 -6.107 5.644 66 H ASN 14 H ASN 14 3.070 -3.834 2.478 67 HA ASN 14 HA ASN 14 5.325 -5.415 1.612 68 HB2 ASN 14 1HB ASN 14 4.634 -2.489 1.324 69 HB3 ASN 14 2HB ASN 14 6.133 -3.184 0.715 70 HD21 ASN 14 1HD2 ASN 14 2.655 -3.163 0.413 71 HD22 ASN 14 2HD2 ASN 14 2.594 -3.849 -1.172 72 H GLU 15 H GLU 15 4.809 -2.669 3.812 73 HA GLU 15 HA GLU 15 7.411 -2.289 4.667 74 HB2 GLU 15 1HB GLU 15 4.754 -1.896 6.007 75 HB3 GLU 15 2HB GLU 15 6.245 -1.590 6.886 76 HG2 GLU 15 1HG GLU 15 6.905 0.082 5.292 77 HG3 GLU 15 2HG GLU 15 5.515 -0.289 4.274 78 H CYS 16 H CYS 16 4.944 -4.433 6.077 79 HA CYS 16 HA CYS 16 7.127 -5.984 7.300 80 HB2 CYS 16 1HB CYS 16 5.844 -6.329 9.290 81 HB3 CYS 16 2HB CYS 16 5.851 -4.598 8.970 82 H ASP 17 H ASP 17 6.164 -8.195 8.084 83 HA ASP 17 HA ASP 17 4.893 -9.375 5.736 84 HB2 ASP 17 1HB ASP 17 6.244 -10.645 8.126 85 HB3 ASP 17 2HB ASP 17 5.555 -11.540 6.775 86 H CYS 18 H CYS 18 2.746 -9.432 5.751 87 HA CYS 18 HA CYS 18 1.360 -10.705 7.935 88 HB2 CYS 18 1HB CYS 18 1.591 -8.152 8.424 89 HB3 CYS 18 2HB CYS 18 0.346 -7.980 7.193 90 HG CYS 18 HG CYS 18 -0.266 -10.181 9.682 91 H ARG 19 H ARG 19 -0.785 -11.332 7.398 92 HA ARG 19 HA ARG 19 -1.497 -10.996 4.563 93 HB2 ARG 19 1HB ARG 19 -2.235 -13.343 4.502 94 HB3 ARG 19 2HB ARG 19 -0.514 -13.207 4.833 95 HG2 ARG 19 1HG ARG 19 -1.206 -13.382 7.312 96 HG3 ARG 19 2HG ARG 19 -2.729 -14.006 6.673 97 HD2 ARG 19 1HD ARG 19 -1.471 -15.928 7.029 98 HD3 ARG 19 2HD ARG 19 -1.250 -15.611 5.309 99 HE ARG 19 HE ARG 19 0.835 -14.334 6.554 100 HH11 ARG 19 1HH1 ARG 19 -0.371 -17.596 6.403 101 HH12 ARG 19 2HH1 ARG 19 1.189 -18.321 6.614 102 HH21 ARG 19 1HH2 ARG 19 2.893 -15.276 6.834 103 HH22 ARG 19 2HH2 ARG 19 3.044 -17.000 6.860 104 H PHE 20 H PHE 20 -3.640 -10.720 4.117 105 HA PHE 20 HA PHE 20 -5.536 -10.907 6.354 106 HB2 PHE 20 1HB PHE 20 -5.269 -8.584 4.435 107 HB3 PHE 20 2HB PHE 20 -6.584 -8.785 5.588 108 HD1 PHE 20 2HD PHE 20 -6.174 -8.566 7.990 109 HD2 PHE 20 1HD PHE 20 -3.102 -7.861 5.130 110 HE1 PHE 20 2HE PHE 20 -4.843 -7.415 9.709 111 HE2 PHE 20 1HE PHE 20 -1.765 -6.710 6.845 112 HZ PHE 20 HZ PHE 20 -2.635 -6.485 9.138 113 H SER 21 H SER 21 -7.848 -10.723 5.545 114 HA SER 21 HA SER 21 -8.153 -12.574 3.336 115 HB2 SER 21 1HB SER 21 -9.926 -11.521 5.498 116 HB3 SER 21 2HB SER 21 -10.678 -12.170 4.041 117 HG SER 21 HG SER 21 -9.428 -14.094 4.407 118 H GLU 22 H GLU 22 -9.242 -9.296 4.166 119 HA GLU 22 HA GLU 22 -9.810 -8.860 1.307 120 HB2 GLU 22 1HB GLU 22 -11.831 -8.827 2.764 121 HB3 GLU 22 2HB GLU 22 -11.129 -7.481 3.651 122 HG2 GLU 22 1HG GLU 22 -12.607 -6.478 2.168 123 HG3 GLU 22 2HG GLU 22 -11.032 -6.280 1.401 124 H GLU 23 H GLU 23 -9.224 -6.869 0.400 125 HA GLU 23 HA GLU 23 -6.786 -5.808 1.134 126 HB2 GLU 23 1HB GLU 23 -7.903 -5.520 -1.080 127 HB3 GLU 23 2HB GLU 23 -8.965 -4.328 -0.346 128 HG2 GLU 23 1HG GLU 23 -6.806 -3.108 0.313 129 HG3 GLU 23 2HG GLU 23 -6.027 -4.149 -0.877 130 H ALA 24 H ALA 24 -10.017 -4.487 1.813 131 HA ALA 24 HA ALA 24 -9.527 -2.143 3.027 132 HB1 ALA 24 3HB ALA 24 -11.663 -2.325 3.595 133 HB2 ALA 24 1HB ALA 24 -11.619 -4.016 3.096 134 HB3 ALA 24 2HB ALA 24 -11.284 -3.583 4.772 135 H SER 25 H SER 25 -9.176 -5.304 4.620 136 HA SER 25 HA SER 25 -8.430 -4.425 7.143 137 HB2 SER 25 1HB SER 25 -7.405 -6.886 5.707 138 HB3 SER 25 2HB SER 25 -7.405 -6.623 7.451 139 HG SER 25 HG SER 25 -9.207 -7.889 6.470 140 H LEU 26 H LEU 26 -6.315 -5.252 4.399 141 HA LEU 26 HA LEU 26 -3.888 -4.613 5.642 142 HB2 LEU 26 1HB LEU 26 -4.160 -5.890 3.525 143 HB3 LEU 26 2HB LEU 26 -4.545 -4.376 2.710 144 HG LEU 26 HG LEU 26 -2.254 -3.564 3.389 145 HD11 LEU 26 1HD1 LEU 26 -1.746 -5.064 5.176 146 HD12 LEU 26 2HD1 LEU 26 -0.604 -5.371 3.868 147 HD13 LEU 26 3HD1 LEU 26 -1.960 -6.468 4.130 148 HD21 LEU 26 3HD2 LEU 26 -1.588 -4.148 1.343 149 HD22 LEU 26 1HD2 LEU 26 -3.098 -5.052 1.223 150 HD23 LEU 26 2HD2 LEU 26 -1.621 -5.868 1.736 151 H LYS 27 H LYS 27 -5.674 -2.665 3.241 152 HA LYS 27 HA LYS 27 -4.306 -0.385 3.121 153 HB2 LYS 27 1HB LYS 27 -6.774 -1.007 2.365 154 HB3 LYS 27 2HB LYS 27 -7.197 -0.032 3.766 155 HG2 LYS 27 1HG LYS 27 -5.492 1.655 2.641 156 HG3 LYS 27 2HG LYS 27 -5.973 0.772 1.190 157 HD2 LYS 27 1HD LYS 27 -8.077 1.748 3.069 158 HD3 LYS 27 2HD LYS 27 -7.306 2.893 1.968 159 HE2 LYS 27 1HE LYS 27 -7.910 1.431 0.076 160 HE3 LYS 27 2HE LYS 27 -8.733 0.349 1.197 161 HZ1 LYS 27 3HZ LYS 27 -9.784 2.813 1.731 162 HZ2 LYS 27 1HZ LYS 27 -10.525 1.585 0.833 163 HZ3 LYS 27 2HZ LYS 27 -9.645 2.796 0.045 164 H ARG 28 H ARG 28 -6.615 -1.030 5.762 165 HA ARG 28 HA ARG 28 -5.978 1.285 7.242 166 HB2 ARG 28 1HB ARG 28 -7.974 -0.442 7.420 167 HB3 ARG 28 2HB ARG 28 -6.926 -1.187 8.620 168 HG2 ARG 28 1HG ARG 28 -7.668 1.720 8.718 169 HG3 ARG 28 2HG ARG 28 -8.649 0.459 9.469 170 HD2 ARG 28 1HD ARG 28 -6.842 -0.185 10.899 171 HD3 ARG 28 2HD ARG 28 -5.721 0.872 10.042 172 HE ARG 28 HE ARG 28 -7.633 1.633 12.063 173 HH11 ARG 28 1HH1 ARG 28 -5.635 2.707 9.422 174 HH12 ARG 28 2HH1 ARG 28 -5.583 4.353 9.960 175 HH21 ARG 28 1HH2 ARG 28 -7.572 3.797 12.781 176 HH22 ARG 28 2HH2 ARG 28 -6.684 4.972 11.871 177 H HIS 29 H HIS 29 -4.996 -2.108 7.726 178 HA HIS 29 HA HIS 29 -3.404 -1.935 9.907 179 HB2 HIS 29 1HB HIS 29 -3.509 -4.074 9.038 180 HB3 HIS 29 2HB HIS 29 -3.179 -3.537 7.394 181 HD1 HIS 29 1HD HIS 29 -1.589 -5.024 10.306 182 HD2 HIS 29 2HD HIS 29 -0.361 -2.840 6.991 183 HE1 HIS 29 1HE HIS 29 0.896 -5.381 10.148 184 H THR 30 H THR 30 -2.500 -0.989 6.617 185 HA THR 30 HA THR 30 0.187 -0.375 7.112 186 HB THR 30 HB THR 30 -1.688 0.876 5.096 187 HG1 THR 30 1HG THR 30 -1.218 -1.498 5.069 188 HG21 THR 30 3HG2 THR 30 1.201 0.718 4.544 189 HG22 THR 30 1HG2 THR 30 0.734 1.868 5.796 190 HG23 THR 30 2HG2 THR 30 0.045 1.998 4.178 191 H LEU 31 H LEU 31 -2.745 1.541 7.501 192 HA LEU 31 HA LEU 31 -1.331 3.958 8.142 193 HB2 LEU 31 1HB LEU 31 -4.175 3.090 8.074 194 HB3 LEU 31 2HB LEU 31 -3.760 4.516 9.024 195 HG LEU 31 HG LEU 31 -2.727 5.465 6.924 196 HD11 LEU 31 1HD1 LEU 31 -2.450 4.046 5.232 197 HD12 LEU 31 2HD1 LEU 31 -4.189 4.172 4.969 198 HD13 LEU 31 3HD1 LEU 31 -3.540 2.857 5.948 199 HD21 LEU 31 3HD2 LEU 31 -5.541 5.083 6.214 200 HD22 LEU 31 1HD2 LEU 31 -4.647 6.562 6.567 201 HD23 LEU 31 2HD2 LEU 31 -5.276 5.575 7.887 202 H GLN 32 H GLN 32 -3.073 1.473 9.970 203 HA GLN 32 HA GLN 32 -2.624 2.732 12.501 204 HB2 GLN 32 1HB GLN 32 -4.540 1.216 12.050 205 HB3 GLN 32 2HB GLN 32 -3.411 -0.126 11.913 206 HG2 GLN 32 1HG GLN 32 -2.681 0.416 14.269 207 HG3 GLN 32 2HG GLN 32 -4.076 1.491 14.352 208 HE21 GLN 32 1HE2 GLN 32 -2.961 -1.663 14.717 209 HE22 GLN 32 2HE2 GLN 32 -4.487 -2.449 14.912 210 H THR 33 H THR 33 -1.456 -0.386 11.217 211 HA THR 33 HA THR 33 0.470 -0.884 13.136 212 HB THR 33 HB THR 33 0.708 -1.609 10.211 213 HG1 THR 33 1HG THR 33 -1.146 -2.567 10.712 214 HG21 THR 33 3HG2 THR 33 2.620 -2.557 10.870 215 HG22 THR 33 1HG2 THR 33 1.646 -3.681 11.816 216 HG23 THR 33 2HG2 THR 33 2.280 -2.216 12.566 217 H HIS 34 H HIS 34 0.856 0.824 10.041 218 HA HIS 34 HA HIS 34 3.418 1.879 11.045 219 HB2 HIS 34 1HB HIS 34 2.633 1.668 8.139 220 HB3 HIS 34 2HB HIS 34 4.231 1.991 8.805 221 HD1 HIS 34 1HD HIS 34 5.258 -0.115 10.229 222 HD2 HIS 34 2HD HIS 34 2.199 -0.940 7.542 223 HE1 HIS 34 1HE HIS 34 5.380 -2.592 9.812 224 H SER 35 H SER 35 2.214 3.570 12.111 225 HA SER 35 HA SER 35 0.443 5.335 10.932 226 HB2 SER 35 1HB SER 35 2.397 5.577 13.187 227 HB3 SER 35 2HB SER 35 1.554 7.020 12.625 228 HG SER 35 HG SER 35 -0.415 5.693 12.892 229 H ASP 36 H ASP 36 0.590 6.897 9.455 230 HA ASP 36 HA ASP 36 2.765 7.237 7.789 231 HB2 ASP 36 1HB ASP 36 0.386 7.988 7.378 232 HB3 ASP 36 2HB ASP 36 0.736 9.396 8.376 233 H LYS 37 H LYS 37 4.468 8.652 7.657 234 HA LYS 37 HA LYS 37 5.377 9.771 10.156 235 HB2 LYS 37 1HB LYS 37 6.734 8.603 8.207 236 HB3 LYS 37 2HB LYS 37 6.810 10.244 7.578 237 HG2 LYS 37 1HG LYS 37 8.123 10.993 9.305 238 HG3 LYS 37 2HG LYS 37 7.564 9.741 10.416 239 HD2 LYS 37 1HD LYS 37 8.754 8.101 8.824 240 HD3 LYS 37 2HD LYS 37 9.571 9.534 8.196 241 HE2 LYS 37 1HE LYS 37 10.985 8.617 9.864 242 HE3 LYS 37 2HE LYS 37 10.242 10.054 10.564 243 HZ1 LYS 37 3HZ LYS 37 9.435 7.238 11.047 244 HZ2 LYS 37 1HZ LYS 37 8.614 8.590 11.650 245 HZ3 LYS 37 2HZ LYS 37 10.199 8.271 12.148 246 H SER 38 H SER 38 5.159 11.172 6.880 247 HA SER 38 HA SER 38 5.426 13.819 7.540 248 HB2 SER 38 1HB SER 38 5.063 12.588 5.220 249 HB3 SER 38 2HB SER 38 3.399 13.121 5.458 250 HG SER 38 HG SER 38 4.678 15.235 5.982 251 H GLY 39 H GLY 39 3.826 15.562 7.652 252 HA2 GLY 39 1HA GLY 39 1.665 16.386 8.161 253 HA3 GLY 39 2HA GLY 39 1.189 14.766 8.647 254 HA PRO 40 HA PRO 40 3.716 16.825 12.262 255 HB2 PRO 40 1HB PRO 40 3.711 19.540 12.216 256 HB3 PRO 40 2HB PRO 40 4.985 18.569 11.468 257 HG2 PRO 40 1HG PRO 40 2.616 19.887 10.199 258 HG3 PRO 40 2HG PRO 40 4.294 19.816 9.631 259 HD2 PRO 40 1HD PRO 40 2.355 18.202 8.649 260 HD3 PRO 40 2HD PRO 40 4.049 17.688 8.781 261 H SER 41 H SER 41 2.417 16.598 13.961 262 HA SER 41 HA SER 41 0.776 17.001 15.496 263 HB2 SER 41 1HB SER 41 1.281 19.440 14.924 264 HB3 SER 41 2HB SER 41 -0.113 19.367 13.846 265 HG SER 41 HG SER 41 -0.424 20.102 16.131 266 H SER 42 H SER 42 0.425 15.364 13.117 267 HA SER 42 HA SER 42 -2.311 15.726 12.268 268 HB2 SER 42 1HB SER 42 -1.931 13.646 10.974 269 HB3 SER 42 2HB SER 42 -0.680 14.853 10.675 270 HG SER 42 HG SER 42 0.345 12.919 11.021 271 H GLY 43 H GLY 43 -0.538 13.176 14.027 272 HA2 GLY 43 1HA GLY 43 -1.230 11.721 15.664 273 HA3 GLY 43 2HA GLY 43 -2.557 12.830 15.973 Start of MODEL 18 1 H1 GLY 1 H GLY 1 7.574 -32.164 0.777 2 HA2 GLY 1 1HA GLY 1 5.499 -31.855 2.280 3 HA3 GLY 1 2HA GLY 1 5.333 -31.377 0.596 4 H SER 2 H SER 2 4.308 -33.528 3.053 5 HA SER 2 HA SER 2 3.086 -35.471 1.342 6 HB2 SER 2 1HB SER 2 2.891 -34.870 4.288 7 HB3 SER 2 2HB SER 2 1.876 -36.094 3.526 8 HG SER 2 HG SER 2 3.972 -36.789 4.456 9 H SER 3 H SER 3 1.746 -34.400 -0.092 10 HA SER 3 HA SER 3 -0.117 -33.343 -0.870 11 HB2 SER 3 1HB SER 3 -1.053 -34.794 1.574 12 HB3 SER 3 2HB SER 3 -2.172 -33.713 0.744 13 HG SER 3 HG SER 3 -0.739 -35.511 -0.826 14 H GLY 4 H GLY 4 1.652 -31.629 0.414 15 HA2 GLY 4 1HA GLY 4 0.217 -29.955 2.276 16 HA3 GLY 4 2HA GLY 4 1.806 -29.638 1.594 17 H SER 5 H SER 5 -0.363 -27.767 1.943 18 HA SER 5 HA SER 5 -1.200 -27.232 -0.816 19 HB2 SER 5 1HB SER 5 -2.127 -26.059 1.815 20 HB3 SER 5 2HB SER 5 -2.713 -25.536 0.236 21 HG SER 5 HG SER 5 -4.112 -27.079 1.085 22 H SER 6 H SER 6 -1.285 -24.810 -1.357 23 HA SER 6 HA SER 6 0.986 -23.335 -0.255 24 HB2 SER 6 1HB SER 6 1.996 -24.465 -2.122 25 HB3 SER 6 2HB SER 6 0.649 -24.038 -3.178 26 HG SER 6 HG SER 6 2.718 -22.722 -3.192 27 H GLY 7 H GLY 7 0.392 -21.317 0.166 28 HA2 GLY 7 1HA GLY 7 -0.480 -19.257 -1.046 29 HA3 GLY 7 2HA GLY 7 -1.929 -20.221 -1.291 30 H ASN 8 H ASN 8 0.172 -18.904 1.248 31 HA ASN 8 HA ASN 8 -1.539 -19.349 3.413 32 HB2 ASN 8 1HB ASN 8 0.616 -17.306 2.906 33 HB3 ASN 8 2HB ASN 8 -0.286 -17.338 4.419 34 HD21 ASN 8 1HD2 ASN 8 2.554 -18.083 3.325 35 HD22 ASN 8 2HD2 ASN 8 2.895 -19.549 4.172 36 H GLY 9 H GLY 9 -1.171 -16.445 1.379 37 HA2 GLY 9 1HA GLY 9 -3.975 -15.803 1.844 38 HA3 GLY 9 2HA GLY 9 -2.807 -14.628 2.429 39 H ALA 10 H ALA 10 -4.403 -13.528 0.750 40 HA ALA 10 HA ALA 10 -3.285 -13.759 -1.953 41 HB1 ALA 10 3HB ALA 10 -5.655 -13.924 -1.951 42 HB2 ALA 10 1HB ALA 10 -5.818 -12.495 -0.930 43 HB3 ALA 10 2HB ALA 10 -5.251 -12.331 -2.592 44 H PHE 11 H PHE 11 -4.249 -11.224 0.365 45 HA PHE 11 HA PHE 11 -2.404 -9.376 -0.968 46 HB2 PHE 11 1HB PHE 11 -4.652 -8.904 0.996 47 HB3 PHE 11 2HB PHE 11 -3.567 -7.637 0.433 48 HD1 PHE 11 2HD PHE 11 -3.334 -7.619 -2.254 49 HD2 PHE 11 1HD PHE 11 -6.681 -9.043 -0.043 50 HE1 PHE 11 2HE PHE 11 -4.779 -7.251 -4.211 51 HE2 PHE 11 1HE PHE 11 -8.131 -8.679 -1.997 52 HZ PHE 11 HZ PHE 11 -7.181 -7.780 -4.084 53 H PHE 12 H PHE 12 -0.592 -8.655 -0.018 54 HA PHE 12 HA PHE 12 -0.184 -9.235 2.836 55 HB2 PHE 12 1HB PHE 12 1.908 -10.197 2.495 56 HB3 PHE 12 2HB PHE 12 0.980 -10.836 1.142 57 HD1 PHE 12 2HD PHE 12 1.077 -9.341 -1.038 58 HD2 PHE 12 1HD PHE 12 3.982 -9.320 2.072 59 HE1 PHE 12 2HE PHE 12 2.745 -8.440 -2.607 60 HE2 PHE 12 1HE PHE 12 5.655 -8.419 0.509 61 HZ PHE 12 HZ PHE 12 5.037 -7.979 -1.834 62 H CYS 13 H CYS 13 1.219 -7.824 3.944 63 HA CYS 13 HA CYS 13 1.196 -5.138 2.931 64 HB2 CYS 13 1HB CYS 13 0.787 -5.567 5.300 65 HB3 CYS 13 2HB CYS 13 2.385 -6.288 5.464 66 H ASN 14 H ASN 14 2.833 -3.972 2.089 67 HA ASN 14 HA ASN 14 5.158 -5.344 1.157 68 HB2 ASN 14 1HB ASN 14 4.513 -2.387 1.098 69 HB3 ASN 14 2HB ASN 14 5.780 -3.184 0.170 70 HD21 ASN 14 1HD2 ASN 14 5.160 -3.086 -1.872 71 HD22 ASN 14 2HD2 ASN 14 3.618 -3.569 -2.482 72 H GLU 15 H GLU 15 4.604 -2.752 3.527 73 HA GLU 15 HA GLU 15 7.255 -2.319 4.266 74 HB2 GLU 15 1HB GLU 15 4.809 -2.136 6.035 75 HB3 GLU 15 2HB GLU 15 6.362 -1.367 6.333 76 HG2 GLU 15 1HG GLU 15 5.914 -0.296 3.977 77 HG3 GLU 15 2HG GLU 15 4.237 -0.662 4.380 78 H CYS 16 H CYS 16 4.888 -4.136 6.220 79 HA CYS 16 HA CYS 16 7.115 -5.767 7.236 80 HB2 CYS 16 1HB CYS 16 5.896 -6.097 9.230 81 HB3 CYS 16 2HB CYS 16 5.665 -4.397 8.836 82 H ASP 17 H ASP 17 6.049 -7.980 8.130 83 HA ASP 17 HA ASP 17 4.830 -9.212 5.755 84 HB2 ASP 17 1HB ASP 17 7.102 -10.004 6.634 85 HB3 ASP 17 2HB ASP 17 6.211 -10.688 7.991 86 H CYS 18 H CYS 18 2.727 -9.582 5.906 87 HA CYS 18 HA CYS 18 1.623 -10.930 8.195 88 HB2 CYS 18 1HB CYS 18 1.642 -8.372 8.675 89 HB3 CYS 18 2HB CYS 18 0.319 -8.311 7.516 90 HG CYS 18 HG CYS 18 0.302 -10.173 10.389 91 H ARG 19 H ARG 19 -0.822 -11.228 7.876 92 HA ARG 19 HA ARG 19 -1.340 -11.619 5.001 93 HB2 ARG 19 1HB ARG 19 -2.630 -13.582 5.561 94 HB3 ARG 19 2HB ARG 19 -1.034 -13.719 6.287 95 HG2 ARG 19 1HG ARG 19 -2.044 -12.887 8.428 96 HG3 ARG 19 2HG ARG 19 -3.623 -13.048 7.657 97 HD2 ARG 19 1HD ARG 19 -3.296 -15.042 8.872 98 HD3 ARG 19 2HD ARG 19 -2.996 -15.454 7.184 99 HE ARG 19 HE ARG 19 -0.840 -15.959 7.740 100 HH11 ARG 19 1HH1 ARG 19 -2.215 -13.985 10.257 101 HH12 ARG 19 2HH1 ARG 19 -0.850 -14.148 11.310 102 HH21 ARG 19 1HH2 ARG 19 0.963 -16.181 9.118 103 HH22 ARG 19 2HH2 ARG 19 0.958 -15.397 10.662 104 H PHE 20 H PHE 20 -3.620 -11.572 4.361 105 HA PHE 20 HA PHE 20 -5.479 -10.250 6.144 106 HB2 PHE 20 1HB PHE 20 -4.716 -8.905 3.547 107 HB3 PHE 20 2HB PHE 20 -5.842 -8.309 4.762 108 HD1 PHE 20 1HD PHE 20 -2.278 -9.069 4.127 109 HD2 PHE 20 2HD PHE 20 -5.096 -7.024 6.576 110 HE1 PHE 20 1HE PHE 20 -0.439 -7.860 5.227 111 HE2 PHE 20 2HE PHE 20 -3.262 -5.811 7.679 112 HZ PHE 20 HZ PHE 20 -0.930 -6.228 7.005 113 H SER 21 H SER 21 -7.606 -9.827 4.955 114 HA SER 21 HA SER 21 -8.092 -12.065 3.101 115 HB2 SER 21 1HB SER 21 -10.054 -10.771 5.010 116 HB3 SER 21 2HB SER 21 -10.367 -12.167 3.979 117 HG SER 21 HG SER 21 -8.471 -12.029 6.089 118 H GLU 22 H GLU 22 -9.089 -8.755 3.910 119 HA GLU 22 HA GLU 22 -9.940 -8.422 1.108 120 HB2 GLU 22 1HB GLU 22 -11.640 -8.247 3.129 121 HB3 GLU 22 2HB GLU 22 -10.971 -6.626 3.259 122 HG2 GLU 22 1HG GLU 22 -12.979 -6.594 1.928 123 HG3 GLU 22 2HG GLU 22 -11.583 -6.193 0.928 124 H GLU 23 H GLU 23 -9.051 -6.809 -0.047 125 HA GLU 23 HA GLU 23 -6.670 -5.670 0.441 126 HB2 GLU 23 1HB GLU 23 -7.655 -5.371 -1.702 127 HB3 GLU 23 2HB GLU 23 -9.021 -4.492 -1.030 128 HG2 GLU 23 1HG GLU 23 -7.652 -2.601 -0.534 129 HG3 GLU 23 2HG GLU 23 -6.189 -3.486 -0.963 130 H ALA 24 H ALA 24 -9.782 -4.297 1.442 131 HA ALA 24 HA ALA 24 -8.900 -1.898 2.513 132 HB1 ALA 24 3HB ALA 24 -11.174 -1.977 2.467 133 HB2 ALA 24 1HB ALA 24 -11.238 -3.660 2.994 134 HB3 ALA 24 2HB ALA 24 -10.917 -2.380 4.165 135 H SER 25 H SER 25 -9.397 -4.977 4.247 136 HA SER 25 HA SER 25 -8.633 -4.317 6.763 137 HB2 SER 25 1HB SER 25 -8.324 -6.792 5.136 138 HB3 SER 25 2HB SER 25 -7.446 -6.711 6.663 139 HG SER 25 HG SER 25 -9.567 -7.598 6.876 140 H LEU 26 H LEU 26 -6.444 -5.081 4.078 141 HA LEU 26 HA LEU 26 -4.031 -4.952 5.461 142 HB2 LEU 26 1HB LEU 26 -3.953 -5.805 3.286 143 HB3 LEU 26 2HB LEU 26 -4.791 -4.408 2.613 144 HG LEU 26 HG LEU 26 -2.586 -3.170 3.427 145 HD11 LEU 26 1HD1 LEU 26 -1.855 -5.592 4.226 146 HD12 LEU 26 2HD1 LEU 26 -0.697 -4.422 3.594 147 HD13 LEU 26 3HD1 LEU 26 -1.316 -5.702 2.550 148 HD21 LEU 26 3HD2 LEU 26 -3.522 -4.337 0.961 149 HD22 LEU 26 1HD2 LEU 26 -1.759 -4.305 1.019 150 HD23 LEU 26 2HD2 LEU 26 -2.675 -2.813 1.235 151 H LYS 27 H LYS 27 -5.888 -2.377 3.887 152 HA LYS 27 HA LYS 27 -4.055 -0.294 4.259 153 HB2 LYS 27 1HB LYS 27 -6.985 -0.479 3.777 154 HB3 LYS 27 2HB LYS 27 -6.357 1.060 4.351 155 HG2 LYS 27 1HG LYS 27 -6.225 1.382 2.101 156 HG3 LYS 27 2HG LYS 27 -4.623 0.707 2.409 157 HD2 LYS 27 1HD LYS 27 -5.204 -1.379 1.538 158 HD3 LYS 27 2HD LYS 27 -6.934 -1.066 1.693 159 HE2 LYS 27 1HE LYS 27 -6.478 -0.891 -0.606 160 HE3 LYS 27 2HE LYS 27 -6.598 0.771 -0.031 161 HZ1 LYS 27 3HZ LYS 27 -4.222 -0.728 -0.888 162 HZ2 LYS 27 1HZ LYS 27 -4.043 0.517 0.243 163 HZ3 LYS 27 2HZ LYS 27 -4.696 0.847 -1.281 164 H ARG 28 H ARG 28 -6.914 -1.108 6.236 165 HA ARG 28 HA ARG 28 -6.651 0.731 8.241 166 HB2 ARG 28 1HB ARG 28 -8.425 -1.105 7.922 167 HB3 ARG 28 2HB ARG 28 -7.342 -2.134 8.848 168 HG2 ARG 28 1HG ARG 28 -7.639 -0.925 10.794 169 HG3 ARG 28 2HG ARG 28 -8.173 0.520 9.933 170 HD2 ARG 28 1HD ARG 28 -9.736 -2.054 10.040 171 HD3 ARG 28 2HD ARG 28 -9.983 -0.707 11.151 172 HE ARG 28 HE ARG 28 -10.151 0.076 8.403 173 HH11 ARG 28 1HH1 ARG 28 -11.908 -1.329 11.060 174 HH12 ARG 28 2HH1 ARG 28 -13.460 -0.853 10.456 175 HH21 ARG 28 1HH2 ARG 28 -12.189 0.709 7.597 176 HH22 ARG 28 2HH2 ARG 28 -13.619 0.306 8.486 177 H HIS 29 H HIS 29 -4.774 -2.186 7.747 178 HA HIS 29 HA HIS 29 -3.501 -2.174 10.295 179 HB2 HIS 29 1HB HIS 29 -3.356 -4.258 9.330 180 HB3 HIS 29 2HB HIS 29 -3.102 -3.610 7.712 181 HD1 HIS 29 1HD HIS 29 -1.314 -4.891 10.657 182 HD2 HIS 29 2HD HIS 29 -0.395 -2.775 7.202 183 HE1 HIS 29 1HE HIS 29 1.187 -5.022 10.434 184 H THR 30 H THR 30 -2.058 -1.577 7.088 185 HA THR 30 HA THR 30 0.319 -0.481 7.890 186 HB THR 30 HB THR 30 -0.620 -0.945 5.489 187 HG1 THR 30 1HG THR 30 0.990 0.832 4.799 188 HG21 THR 30 3HG2 THR 30 -2.361 0.773 5.549 189 HG22 THR 30 1HG2 THR 30 -1.189 1.108 4.275 190 HG23 THR 30 2HG2 THR 30 -1.134 2.017 5.785 191 H LEU 31 H LEU 31 -2.741 1.243 7.351 192 HA LEU 31 HA LEU 31 -1.827 3.829 7.856 193 HB2 LEU 31 1HB LEU 31 -3.960 3.617 6.912 194 HB3 LEU 31 2HB LEU 31 -4.500 2.507 8.169 195 HG LEU 31 HG LEU 31 -4.364 4.466 9.770 196 HD11 LEU 31 1HD1 LEU 31 -3.907 5.876 7.164 197 HD12 LEU 31 2HD1 LEU 31 -3.027 6.038 8.683 198 HD13 LEU 31 3HD1 LEU 31 -4.658 6.691 8.536 199 HD21 LEU 31 3HD2 LEU 31 -6.553 4.199 9.439 200 HD22 LEU 31 1HD2 LEU 31 -6.335 3.859 7.723 201 HD23 LEU 31 2HD2 LEU 31 -6.434 5.528 8.285 202 H GLN 32 H GLN 32 -2.877 1.295 10.060 203 HA GLN 32 HA GLN 32 -2.778 2.989 12.381 204 HB2 GLN 32 1HB GLN 32 -4.183 0.831 11.990 205 HB3 GLN 32 2HB GLN 32 -2.720 -0.009 12.489 206 HG2 GLN 32 1HG GLN 32 -4.254 0.289 14.349 207 HG3 GLN 32 2HG GLN 32 -2.746 1.163 14.614 208 HE21 GLN 32 1HE2 GLN 32 -5.872 1.764 13.034 209 HE22 GLN 32 2HE2 GLN 32 -6.117 3.325 13.734 210 H THR 33 H THR 33 -0.943 0.036 11.578 211 HA THR 33 HA THR 33 1.128 0.607 13.431 212 HB THR 33 HB THR 33 0.550 -1.689 12.606 213 HG1 THR 33 1HG THR 33 3.132 -0.617 12.712 214 HG21 THR 33 3HG2 THR 33 1.361 -2.459 10.492 215 HG22 THR 33 1HG2 THR 33 2.161 -0.921 10.174 216 HG23 THR 33 2HG2 THR 33 0.399 -1.011 10.193 217 H HIS 34 H HIS 34 1.005 0.760 9.874 218 HA HIS 34 HA HIS 34 3.547 2.191 9.840 219 HB2 HIS 34 1HB HIS 34 1.822 1.316 7.515 220 HB3 HIS 34 2HB HIS 34 3.481 1.902 7.429 221 HD1 HIS 34 1HD HIS 34 4.868 0.233 9.520 222 HD2 HIS 34 2HD HIS 34 2.019 -1.316 6.923 223 HE1 HIS 34 1HE HIS 34 5.320 -2.239 9.423 224 H SER 35 H SER 35 2.381 3.986 11.017 225 HA SER 35 HA SER 35 0.560 5.593 9.465 226 HB2 SER 35 1HB SER 35 0.660 7.147 11.377 227 HB3 SER 35 2HB SER 35 0.340 5.496 11.906 228 HG SER 35 HG SER 35 1.938 6.475 13.195 229 H ASP 36 H ASP 36 2.723 5.299 7.914 230 HA ASP 36 HA ASP 36 4.239 7.808 8.184 231 HB2 ASP 36 1HB ASP 36 4.891 5.175 6.886 232 HB3 ASP 36 2HB ASP 36 5.745 6.645 6.426 233 H LYS 37 H LYS 37 4.670 9.032 6.246 234 HA LYS 37 HA LYS 37 2.599 9.922 4.826 235 HB2 LYS 37 1HB LYS 37 4.112 10.635 3.065 236 HB3 LYS 37 2HB LYS 37 4.891 10.817 4.632 237 HG2 LYS 37 1HG LYS 37 5.344 8.297 3.128 238 HG3 LYS 37 2HG LYS 37 6.148 9.766 2.569 239 HD2 LYS 37 1HD LYS 37 7.121 10.082 4.789 240 HD3 LYS 37 2HD LYS 37 6.304 8.625 5.361 241 HE2 LYS 37 1HE LYS 37 7.545 7.479 3.383 242 HE3 LYS 37 2HE LYS 37 8.594 8.894 3.454 243 HZ1 LYS 37 3HZ LYS 37 8.950 6.679 4.912 244 HZ2 LYS 37 1HZ LYS 37 8.076 7.631 6.004 245 HZ3 LYS 37 2HZ LYS 37 9.528 8.206 5.355 246 H SER 38 H SER 38 1.464 9.467 2.954 247 HA SER 38 HA SER 38 1.937 6.825 1.745 248 HB2 SER 38 1HB SER 38 -0.453 6.407 1.666 249 HB3 SER 38 2HB SER 38 0.015 6.751 3.331 250 HG SER 38 HG SER 38 -0.918 8.722 3.198 251 H GLY 39 H GLY 39 0.999 6.579 -0.420 252 HA2 GLY 39 1HA GLY 39 0.258 7.410 -2.483 253 HA3 GLY 39 2HA GLY 39 0.316 9.038 -1.824 254 HA PRO 40 HA PRO 40 4.239 7.746 -4.313 255 HB2 PRO 40 1HB PRO 40 3.504 8.374 -6.850 256 HB3 PRO 40 2HB PRO 40 3.309 6.756 -6.166 257 HG2 PRO 40 1HG PRO 40 1.283 8.937 -6.476 258 HG3 PRO 40 2HG PRO 40 1.113 7.200 -6.788 259 HD2 PRO 40 1HD PRO 40 0.194 8.370 -4.526 260 HD3 PRO 40 2HD PRO 40 0.801 6.702 -4.559 261 H SER 41 H SER 41 1.915 10.364 -4.812 262 HA SER 41 HA SER 41 4.132 12.239 -5.245 263 HB2 SER 41 1HB SER 41 2.456 13.787 -6.107 264 HB3 SER 41 2HB SER 41 2.310 12.233 -6.927 265 HG SER 41 HG SER 41 0.567 11.748 -5.535 266 H SER 42 H SER 42 1.216 11.762 -3.289 267 HA SER 42 HA SER 42 1.738 14.064 -1.647 268 HB2 SER 42 1HB SER 42 -0.320 11.900 -1.705 269 HB3 SER 42 2HB SER 42 -0.107 12.813 -0.211 270 HG SER 42 HG SER 42 -0.809 13.788 -2.774 271 H GLY 43 H GLY 43 1.653 13.666 0.842 272 HA2 GLY 43 1HA GLY 43 2.414 11.643 2.337 273 HA3 GLY 43 2HA GLY 43 3.902 11.889 1.435 Start of MODEL 19 1 H1 GLY 1 H GLY 1 8.754 -12.424 -4.914 2 HA2 GLY 1 1HA GLY 1 10.263 -14.822 -5.299 3 HA3 GLY 1 2HA GLY 1 9.799 -14.614 -3.617 4 H SER 2 H SER 2 8.362 -14.469 -6.874 5 HA SER 2 HA SER 2 5.785 -15.269 -5.803 6 HB2 SER 2 1HB SER 2 4.980 -14.973 -8.111 7 HB3 SER 2 2HB SER 2 5.868 -13.553 -7.559 8 HG SER 2 HG SER 2 7.317 -15.538 -8.870 9 H SER 3 H SER 3 6.138 -17.375 -5.094 10 HA SER 3 HA SER 3 6.973 -19.352 -7.087 11 HB2 SER 3 1HB SER 3 6.580 -19.585 -4.095 12 HB3 SER 3 2HB SER 3 7.073 -20.914 -5.144 13 HG SER 3 HG SER 3 8.865 -19.877 -4.167 14 H GLY 4 H GLY 4 4.386 -18.874 -4.679 15 HA2 GLY 4 1HA GLY 4 2.778 -20.982 -5.793 16 HA3 GLY 4 2HA GLY 4 2.300 -19.862 -4.526 17 H SER 5 H SER 5 0.376 -20.429 -6.219 18 HA SER 5 HA SER 5 0.344 -18.302 -8.247 19 HB2 SER 5 1HB SER 5 -1.180 -20.883 -7.971 20 HB3 SER 5 2HB SER 5 -1.752 -19.595 -9.030 21 HG SER 5 HG SER 5 0.665 -19.767 -9.730 22 H SER 6 H SER 6 -1.686 -19.776 -5.728 23 HA SER 6 HA SER 6 -2.698 -17.189 -4.962 24 HB2 SER 6 1HB SER 6 -5.014 -17.570 -5.429 25 HB3 SER 6 2HB SER 6 -4.136 -17.893 -6.923 26 HG SER 6 HG SER 6 -5.542 -19.616 -5.281 27 H GLY 7 H GLY 7 -3.953 -17.258 -2.998 28 HA2 GLY 7 1HA GLY 7 -4.225 -19.784 -1.611 29 HA3 GLY 7 2HA GLY 7 -2.977 -18.732 -0.958 30 H ASN 8 H ASN 8 -4.150 -18.620 1.014 31 HA ASN 8 HA ASN 8 -6.798 -17.482 1.037 32 HB2 ASN 8 1HB ASN 8 -6.729 -17.749 3.402 33 HB3 ASN 8 2HB ASN 8 -5.923 -19.161 2.724 34 HD21 ASN 8 1HD2 ASN 8 -3.982 -19.654 3.465 35 HD22 ASN 8 2HD2 ASN 8 -2.969 -18.618 4.406 36 H GLY 9 H GLY 9 -3.542 -16.413 1.984 37 HA2 GLY 9 1HA GLY 9 -4.536 -13.717 2.485 38 HA3 GLY 9 2HA GLY 9 -2.903 -14.297 2.779 39 H ALA 10 H ALA 10 -5.113 -13.001 0.413 40 HA ALA 10 HA ALA 10 -3.220 -13.052 -1.749 41 HB1 ALA 10 3HB ALA 10 -5.794 -11.498 -1.520 42 HB2 ALA 10 1HB ALA 10 -4.885 -11.824 -2.996 43 HB3 ALA 10 2HB ALA 10 -5.657 -13.149 -2.124 44 H PHE 11 H PHE 11 -4.586 -10.507 0.332 45 HA PHE 11 HA PHE 11 -2.661 -8.583 -0.693 46 HB2 PHE 11 1HB PHE 11 -4.913 -8.330 1.307 47 HB3 PHE 11 2HB PHE 11 -3.854 -6.999 0.851 48 HD1 PHE 11 2HD PHE 11 -3.620 -6.845 -1.867 49 HD2 PHE 11 1HD PHE 11 -6.967 -8.315 0.312 50 HE1 PHE 11 2HE PHE 11 -5.083 -6.335 -3.778 51 HE2 PHE 11 1HE PHE 11 -8.436 -7.809 -1.595 52 HZ PHE 11 HZ PHE 11 -7.495 -6.816 -3.643 53 H PHE 12 H PHE 12 -0.678 -8.595 0.122 54 HA PHE 12 HA PHE 12 -0.351 -9.117 3.004 55 HB2 PHE 12 1HB PHE 12 1.955 -9.886 2.432 56 HB3 PHE 12 2HB PHE 12 0.685 -10.888 1.737 57 HD1 PHE 12 2HD PHE 12 -0.036 -10.234 -0.698 58 HD2 PHE 12 1HD PHE 12 3.681 -9.184 1.089 59 HE1 PHE 12 2HE PHE 12 0.948 -9.931 -2.932 60 HE2 PHE 12 1HE PHE 12 4.671 -8.878 -1.143 61 HZ PHE 12 HZ PHE 12 3.305 -9.253 -3.157 62 H CYS 13 H CYS 13 1.013 -7.799 4.190 63 HA CYS 13 HA CYS 13 1.260 -5.115 3.285 64 HB2 CYS 13 1HB CYS 13 0.916 -5.819 5.672 65 HB3 CYS 13 2HB CYS 13 2.588 -6.370 5.693 66 H ASN 14 H ASN 14 3.021 -3.968 2.611 67 HA ASN 14 HA ASN 14 5.232 -5.516 1.565 68 HB2 ASN 14 1HB ASN 14 5.899 -3.449 0.455 69 HB3 ASN 14 2HB ASN 14 4.179 -3.740 0.206 70 HD21 ASN 14 1HD2 ASN 14 2.744 -2.254 0.857 71 HD22 ASN 14 2HD2 ASN 14 3.151 -0.793 1.686 72 H GLU 15 H GLU 15 4.873 -2.694 3.713 73 HA GLU 15 HA GLU 15 7.538 -2.416 4.441 74 HB2 GLU 15 1HB GLU 15 5.114 -1.901 6.172 75 HB3 GLU 15 2HB GLU 15 6.721 -1.236 6.424 76 HG2 GLU 15 1HG GLU 15 5.680 0.518 5.399 77 HG3 GLU 15 2HG GLU 15 6.396 -0.298 4.011 78 H CYS 16 H CYS 16 4.983 -4.259 6.103 79 HA CYS 16 HA CYS 16 7.105 -5.779 7.473 80 HB2 CYS 16 1HB CYS 16 5.836 -5.894 9.411 81 HB3 CYS 16 2HB CYS 16 5.450 -4.278 8.830 82 H ASP 17 H ASP 17 6.112 -7.972 8.294 83 HA ASP 17 HA ASP 17 5.044 -9.288 5.909 84 HB2 ASP 17 1HB ASP 17 6.283 -10.459 8.410 85 HB3 ASP 17 2HB ASP 17 5.764 -11.383 7.002 86 H CYS 18 H CYS 18 2.946 -9.692 5.794 87 HA CYS 18 HA CYS 18 1.496 -10.893 7.927 88 HB2 CYS 18 1HB CYS 18 1.603 -8.371 8.499 89 HB3 CYS 18 2HB CYS 18 0.464 -8.171 7.173 90 HG CYS 18 HG CYS 18 -0.115 -10.167 9.892 91 H ARG 19 H ARG 19 -0.878 -11.115 7.335 92 HA ARG 19 HA ARG 19 -1.341 -10.979 4.448 93 HB2 ARG 19 1HB ARG 19 -1.793 -13.490 6.070 94 HB3 ARG 19 2HB ARG 19 -2.108 -13.282 4.353 95 HG2 ARG 19 1HG ARG 19 0.649 -12.789 5.339 96 HG3 ARG 19 2HG ARG 19 0.079 -14.456 5.233 97 HD2 ARG 19 1HD ARG 19 -0.200 -12.544 2.936 98 HD3 ARG 19 2HD ARG 19 1.283 -13.460 3.199 99 HE ARG 19 HE ARG 19 -1.075 -15.095 3.173 100 HH11 ARG 19 1HH1 ARG 19 1.354 -13.562 1.207 101 HH12 ARG 19 2HH1 ARG 19 1.172 -14.670 -0.113 102 HH21 ARG 19 1HH2 ARG 19 -1.324 -16.561 1.443 103 HH22 ARG 19 2HH2 ARG 19 -0.353 -16.375 0.023 104 H PHE 20 H PHE 20 -3.453 -10.670 3.867 105 HA PHE 20 HA PHE 20 -5.489 -10.749 5.976 106 HB2 PHE 20 1HB PHE 20 -5.174 -8.419 4.077 107 HB3 PHE 20 2HB PHE 20 -6.334 -8.564 5.394 108 HD1 PHE 20 2HD PHE 20 -5.622 -8.325 7.710 109 HD2 PHE 20 1HD PHE 20 -2.884 -7.839 4.489 110 HE1 PHE 20 2HE PHE 20 -4.026 -7.240 9.236 111 HE2 PHE 20 1HE PHE 20 -1.282 -6.753 6.009 112 HZ PHE 20 HZ PHE 20 -1.853 -6.451 8.386 113 H SER 21 H SER 21 -7.635 -10.995 5.233 114 HA SER 21 HA SER 21 -7.817 -12.430 2.735 115 HB2 SER 21 1HB SER 21 -9.027 -12.899 5.034 116 HB3 SER 21 2HB SER 21 -10.222 -11.773 4.391 117 HG SER 21 HG SER 21 -10.762 -13.871 3.786 118 H GLU 22 H GLU 22 -9.217 -9.477 4.121 119 HA GLU 22 HA GLU 22 -10.426 -8.796 1.561 120 HB2 GLU 22 1HB GLU 22 -11.456 -8.453 3.941 121 HB3 GLU 22 2HB GLU 22 -10.462 -7.003 3.962 122 HG2 GLU 22 1HG GLU 22 -11.638 -6.013 2.229 123 HG3 GLU 22 2HG GLU 22 -12.297 -7.549 1.668 124 H GLU 23 H GLU 23 -10.211 -6.400 0.921 125 HA GLU 23 HA GLU 23 -7.381 -5.877 0.581 126 HB2 GLU 23 1HB GLU 23 -8.652 -5.634 -1.400 127 HB3 GLU 23 2HB GLU 23 -9.878 -4.670 -0.589 128 HG2 GLU 23 1HG GLU 23 -8.386 -2.808 -0.406 129 HG3 GLU 23 2HG GLU 23 -7.042 -3.770 -1.021 130 H ALA 24 H ALA 24 -10.036 -4.678 2.444 131 HA ALA 24 HA ALA 24 -8.915 -2.119 3.048 132 HB1 ALA 24 3HB ALA 24 -11.381 -3.292 3.380 133 HB2 ALA 24 1HB ALA 24 -10.772 -3.166 5.030 134 HB3 ALA 24 2HB ALA 24 -10.886 -1.725 4.019 135 H SER 25 H SER 25 -9.229 -5.140 4.916 136 HA SER 25 HA SER 25 -8.048 -4.472 7.263 137 HB2 SER 25 1HB SER 25 -6.972 -6.894 7.046 138 HB3 SER 25 2HB SER 25 -8.710 -6.676 7.251 139 HG SER 25 HG SER 25 -8.403 -8.061 5.542 140 H LEU 26 H LEU 26 -6.501 -4.732 4.169 141 HA LEU 26 HA LEU 26 -3.820 -4.807 5.193 142 HB2 LEU 26 1HB LEU 26 -4.160 -5.780 3.067 143 HB3 LEU 26 2HB LEU 26 -4.994 -4.350 2.465 144 HG LEU 26 HG LEU 26 -2.778 -3.137 2.672 145 HD11 LEU 26 1HD1 LEU 26 -1.955 -5.247 4.098 146 HD12 LEU 26 2HD1 LEU 26 -0.857 -4.207 3.191 147 HD13 LEU 26 3HD1 LEU 26 -1.392 -5.739 2.501 148 HD21 LEU 26 3HD2 LEU 26 -2.235 -5.237 0.720 149 HD22 LEU 26 1HD2 LEU 26 -2.501 -3.509 0.486 150 HD23 LEU 26 2HD2 LEU 26 -3.878 -4.601 0.632 151 H LYS 27 H LYS 27 -5.589 -2.343 3.311 152 HA LYS 27 HA LYS 27 -3.779 -0.273 3.591 153 HB2 LYS 27 1HB LYS 27 -5.396 1.087 2.699 154 HB3 LYS 27 2HB LYS 27 -6.066 -0.484 2.278 155 HG2 LYS 27 1HG LYS 27 -7.573 -0.395 4.157 156 HG3 LYS 27 2HG LYS 27 -6.842 1.113 4.710 157 HD2 LYS 27 1HD LYS 27 -8.882 1.642 3.570 158 HD3 LYS 27 2HD LYS 27 -7.534 2.158 2.554 159 HE2 LYS 27 1HE LYS 27 -7.758 -0.003 1.312 160 HE3 LYS 27 2HE LYS 27 -9.225 -0.317 2.238 161 HZ1 LYS 27 3HZ LYS 27 -9.429 0.768 -0.061 162 HZ2 LYS 27 1HZ LYS 27 -8.923 2.187 0.710 163 HZ3 LYS 27 2HZ LYS 27 -10.340 1.412 1.211 164 H ARG 28 H ARG 28 -6.586 -0.992 5.661 165 HA ARG 28 HA ARG 28 -6.264 1.084 7.484 166 HB2 ARG 28 1HB ARG 28 -8.154 -0.698 7.228 167 HB3 ARG 28 2HB ARG 28 -7.194 -1.623 8.376 168 HG2 ARG 28 1HG ARG 28 -8.697 -0.512 9.732 169 HG3 ARG 28 2HG ARG 28 -7.265 0.516 9.814 170 HD2 ARG 28 1HD ARG 28 -8.197 2.099 8.332 171 HD3 ARG 28 2HD ARG 28 -9.478 0.994 7.838 172 HE ARG 28 HE ARG 28 -9.433 2.669 10.183 173 HH11 ARG 28 1HH1 ARG 28 -10.809 -0.155 8.681 174 HH12 ARG 28 2HH1 ARG 28 -12.246 -0.129 9.649 175 HH21 ARG 28 1HH2 ARG 28 -11.320 2.714 11.462 176 HH22 ARG 28 2HH2 ARG 28 -12.536 1.504 11.230 177 H HIS 29 H HIS 29 -4.969 -2.225 7.613 178 HA HIS 29 HA HIS 29 -3.668 -2.066 10.062 179 HB2 HIS 29 1HB HIS 29 -3.697 -4.214 9.220 180 HB3 HIS 29 2HB HIS 29 -3.272 -3.696 7.592 181 HD1 HIS 29 1HD HIS 29 -1.836 -5.035 10.681 182 HD2 HIS 29 2HD HIS 29 -0.453 -3.094 7.278 183 HE1 HIS 29 1HE HIS 29 0.651 -5.408 10.659 184 H THR 30 H THR 30 -2.457 -1.246 6.827 185 HA THR 30 HA THR 30 0.157 -0.571 7.569 186 HB THR 30 HB THR 30 -1.405 0.723 5.331 187 HG1 THR 30 1HG THR 30 0.198 -1.546 4.929 188 HG21 THR 30 3HG2 THR 30 0.622 1.286 4.387 189 HG22 THR 30 1HG2 THR 30 1.494 0.011 5.236 190 HG23 THR 30 2HG2 THR 30 0.992 1.463 6.102 191 H LEU 31 H LEU 31 -2.745 1.457 7.278 192 HA LEU 31 HA LEU 31 -1.566 3.916 7.860 193 HB2 LEU 31 1HB LEU 31 -4.306 2.793 8.029 194 HB3 LEU 31 2HB LEU 31 -3.993 4.300 8.888 195 HG LEU 31 HG LEU 31 -3.296 5.347 6.782 196 HD11 LEU 31 1HD1 LEU 31 -4.321 2.975 5.284 197 HD12 LEU 31 2HD1 LEU 31 -2.640 3.029 5.812 198 HD13 LEU 31 3HD1 LEU 31 -3.267 4.279 4.738 199 HD21 LEU 31 3HD2 LEU 31 -5.490 5.507 5.779 200 HD22 LEU 31 1HD2 LEU 31 -5.641 5.454 7.535 201 HD23 LEU 31 2HD2 LEU 31 -5.995 4.017 6.577 202 H GLN 32 H GLN 32 -3.230 1.676 10.080 203 HA GLN 32 HA GLN 32 -2.540 3.166 12.407 204 HB2 GLN 32 1HB GLN 32 -4.471 1.482 12.069 205 HB3 GLN 32 2HB GLN 32 -3.266 0.249 12.419 206 HG2 GLN 32 1HG GLN 32 -4.685 1.026 14.354 207 HG3 GLN 32 2HG GLN 32 -2.940 1.032 14.605 208 HE21 GLN 32 1HE2 GLN 32 -2.105 2.800 15.445 209 HE22 GLN 32 2HE2 GLN 32 -2.831 4.368 15.446 210 H THR 33 H THR 33 -1.515 -0.105 11.411 211 HA THR 33 HA THR 33 0.531 -0.437 13.234 212 HB THR 33 HB THR 33 0.588 -1.463 10.391 213 HG1 THR 33 1HG THR 33 -0.436 -2.950 12.546 214 HG21 THR 33 3HG2 THR 33 1.627 -3.441 11.824 215 HG22 THR 33 1HG2 THR 33 2.061 -2.108 12.892 216 HG23 THR 33 2HG2 THR 33 2.618 -2.114 11.219 217 H HIS 34 H HIS 34 0.799 0.825 9.911 218 HA HIS 34 HA HIS 34 3.401 1.987 10.661 219 HB2 HIS 34 1HB HIS 34 2.491 1.443 7.839 220 HB3 HIS 34 2HB HIS 34 4.124 1.773 8.410 221 HD1 HIS 34 1HD HIS 34 4.824 -0.223 10.355 222 HD2 HIS 34 2HD HIS 34 2.235 -1.168 7.246 223 HE1 HIS 34 1HE HIS 34 4.910 -2.728 10.146 224 H SER 35 H SER 35 2.201 3.798 11.563 225 HA SER 35 HA SER 35 0.671 5.471 9.780 226 HB2 SER 35 1HB SER 35 0.350 5.178 12.336 227 HB3 SER 35 2HB SER 35 1.681 6.327 12.483 228 HG SER 35 HG SER 35 -0.855 6.716 11.293 229 H ASP 36 H ASP 36 1.632 6.687 8.303 230 HA ASP 36 HA ASP 36 4.229 7.248 7.892 231 HB2 ASP 36 1HB ASP 36 1.841 9.028 7.411 232 HB3 ASP 36 2HB ASP 36 3.456 9.442 6.842 233 H LYS 37 H LYS 37 5.666 8.982 8.341 234 HA LYS 37 HA LYS 37 5.282 10.092 11.022 235 HB2 LYS 37 1HB LYS 37 7.686 10.505 11.004 236 HB3 LYS 37 2HB LYS 37 7.346 8.828 10.600 237 HG2 LYS 37 1HG LYS 37 8.037 9.062 8.432 238 HG3 LYS 37 2HG LYS 37 7.670 10.788 8.386 239 HD2 LYS 37 1HD LYS 37 10.020 10.655 8.388 240 HD3 LYS 37 2HD LYS 37 9.581 11.075 10.046 241 HE2 LYS 37 1HE LYS 37 11.219 9.390 10.227 242 HE3 LYS 37 2HE LYS 37 9.680 8.594 10.551 243 HZ1 LYS 37 3HZ LYS 37 9.996 8.347 7.858 244 HZ2 LYS 37 1HZ LYS 37 10.300 7.142 9.005 245 HZ3 LYS 37 2HZ LYS 37 11.564 8.120 8.451 246 H SER 38 H SER 38 3.767 11.283 8.999 247 HA SER 38 HA SER 38 4.947 13.529 7.803 248 HB2 SER 38 1HB SER 38 2.773 12.713 7.081 249 HB3 SER 38 2HB SER 38 2.079 13.074 8.662 250 HG SER 38 HG SER 38 2.529 14.726 6.540 251 H GLY 39 H GLY 39 5.213 15.632 8.438 252 HA2 GLY 39 1HA GLY 39 4.105 17.008 10.519 253 HA3 GLY 39 2HA GLY 39 5.411 16.100 11.266 254 HA PRO 40 HA PRO 40 6.826 20.068 8.933 255 HB2 PRO 40 1HB PRO 40 6.606 21.934 10.892 256 HB3 PRO 40 2HB PRO 40 5.320 21.613 9.723 257 HG2 PRO 40 1HG PRO 40 5.605 20.642 12.541 258 HG3 PRO 40 2HG PRO 40 4.163 21.253 11.708 259 HD2 PRO 40 1HD PRO 40 4.626 18.610 12.069 260 HD3 PRO 40 2HD PRO 40 3.769 19.244 10.650 261 H SER 41 H SER 41 7.541 18.162 11.546 262 HA SER 41 HA SER 41 9.917 19.594 12.403 263 HB2 SER 41 1HB SER 41 8.779 18.468 14.163 264 HB3 SER 41 2HB SER 41 8.664 16.975 13.232 265 HG SER 41 HG SER 41 11.185 18.053 13.849 266 H SER 42 H SER 42 9.291 16.316 11.137 267 HA SER 42 HA SER 42 11.747 15.368 10.661 268 HB2 SER 42 1HB SER 42 10.883 14.153 8.735 269 HB3 SER 42 2HB SER 42 9.645 14.227 9.988 270 HG SER 42 HG SER 42 9.092 14.774 7.670 271 H GLY 43 H GLY 43 10.108 17.730 8.574 272 HA2 GLY 43 1HA GLY 43 12.756 18.445 7.488 273 HA3 GLY 43 2HA GLY 43 11.376 18.234 6.421 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -3.196 -29.876 1.607 2 HA2 GLY 1 1HA GLY 1 -2.552 -30.687 -0.613 3 HA3 GLY 1 2HA GLY 1 -2.952 -29.091 -1.230 4 H SER 2 H SER 2 -1.167 -28.083 -1.849 5 HA SER 2 HA SER 2 1.428 -28.729 -1.026 6 HB2 SER 2 1HB SER 2 1.123 -27.595 -3.115 7 HB3 SER 2 2HB SER 2 0.319 -26.237 -2.328 8 HG SER 2 HG SER 2 2.222 -25.541 -1.545 9 H SER 3 H SER 3 2.534 -28.272 0.753 10 HA SER 3 HA SER 3 1.559 -27.139 3.026 11 HB2 SER 3 1HB SER 3 3.753 -28.374 2.743 12 HB3 SER 3 2HB SER 3 4.452 -26.849 2.198 13 HG SER 3 HG SER 3 4.813 -26.996 4.380 14 H GLY 4 H GLY 4 2.218 -25.099 4.138 15 HA2 GLY 4 1HA GLY 4 2.955 -22.800 3.926 16 HA3 GLY 4 2HA GLY 4 2.441 -22.847 2.246 17 H SER 5 H SER 5 1.716 -20.969 4.378 18 HA SER 5 HA SER 5 -0.764 -21.339 5.500 19 HB2 SER 5 1HB SER 5 -1.018 -18.877 5.415 20 HB3 SER 5 2HB SER 5 0.595 -19.357 5.943 21 HG SER 5 HG SER 5 -0.072 -18.660 3.275 22 H SER 6 H SER 6 -2.801 -21.484 4.794 23 HA SER 6 HA SER 6 -3.315 -21.704 1.992 24 HB2 SER 6 1HB SER 6 -5.118 -21.798 4.416 25 HB3 SER 6 2HB SER 6 -5.711 -22.011 2.769 26 HG SER 6 HG SER 6 -3.583 -23.566 3.776 27 H GLY 7 H GLY 7 -5.324 -20.576 1.063 28 HA2 GLY 7 1HA GLY 7 -4.848 -17.920 0.635 29 HA3 GLY 7 2HA GLY 7 -6.441 -18.647 0.479 30 H ASN 8 H ASN 8 -7.958 -18.372 2.100 31 HA ASN 8 HA ASN 8 -9.052 -17.040 3.612 32 HB2 ASN 8 1HB ASN 8 -7.887 -17.078 5.893 33 HB3 ASN 8 2HB ASN 8 -8.267 -18.636 5.165 34 HD21 ASN 8 1HD2 ASN 8 -5.754 -16.404 6.022 35 HD22 ASN 8 2HD2 ASN 8 -4.431 -17.492 5.799 36 H GLY 9 H GLY 9 -7.626 -15.476 1.796 37 HA2 GLY 9 1HA GLY 9 -7.128 -13.238 1.547 38 HA3 GLY 9 2HA GLY 9 -7.434 -13.031 3.265 39 H ALA 10 H ALA 10 -5.056 -13.423 0.819 40 HA ALA 10 HA ALA 10 -2.949 -13.165 2.862 41 HB1 ALA 10 3HB ALA 10 -1.498 -14.352 1.060 42 HB2 ALA 10 1HB ALA 10 -2.541 -15.309 2.112 43 HB3 ALA 10 2HB ALA 10 -3.049 -14.942 0.463 44 H PHE 11 H PHE 11 -2.732 -10.961 2.689 45 HA PHE 11 HA PHE 11 -1.861 -9.953 0.060 46 HB2 PHE 11 1HB PHE 11 -3.611 -8.738 2.155 47 HB3 PHE 11 2HB PHE 11 -2.600 -7.676 1.182 48 HD1 PHE 11 1HD PHE 11 -4.825 -10.622 0.613 49 HD2 PHE 11 2HD PHE 11 -3.631 -6.728 -0.623 50 HE1 PHE 11 1HE PHE 11 -6.503 -10.682 -1.185 51 HE2 PHE 11 2HE PHE 11 -5.307 -6.781 -2.423 52 HZ PHE 11 HZ PHE 11 -6.747 -8.760 -2.706 53 H PHE 12 H PHE 12 0.139 -9.167 -0.055 54 HA PHE 12 HA PHE 12 1.834 -9.196 2.250 55 HB2 PHE 12 1HB PHE 12 2.346 -9.617 -0.329 56 HB3 PHE 12 2HB PHE 12 2.718 -7.897 -0.282 57 HD1 PHE 12 1HD PHE 12 3.367 -10.865 1.892 58 HD2 PHE 12 2HD PHE 12 4.941 -7.422 -0.054 59 HE1 PHE 12 1HE PHE 12 5.598 -11.378 2.795 60 HE2 PHE 12 2HE PHE 12 7.174 -7.930 0.845 61 HZ PHE 12 HZ PHE 12 7.505 -9.911 2.270 62 H CYS 13 H CYS 13 2.124 -7.609 3.657 63 HA CYS 13 HA CYS 13 0.888 -5.086 3.413 64 HB2 CYS 13 1HB CYS 13 1.511 -6.277 5.560 65 HB3 CYS 13 2HB CYS 13 3.170 -5.764 5.271 66 H ASN 14 H ASN 14 2.029 -2.981 3.549 67 HA ASN 14 HA ASN 14 3.470 -2.353 1.343 68 HB2 ASN 14 1HB ASN 14 2.510 -0.732 3.002 69 HB3 ASN 14 2HB ASN 14 3.912 -1.028 4.025 70 HD21 ASN 14 1HD2 ASN 14 2.853 1.351 2.491 71 HD22 ASN 14 2HD2 ASN 14 4.224 1.927 1.611 72 H GLU 15 H GLU 15 4.900 -3.066 4.530 73 HA GLU 15 HA GLU 15 7.415 -3.720 3.139 74 HB2 GLU 15 1HB GLU 15 8.560 -3.079 5.279 75 HB3 GLU 15 2HB GLU 15 7.802 -1.744 4.423 76 HG2 GLU 15 1HG GLU 15 5.788 -2.237 5.993 77 HG3 GLU 15 2HG GLU 15 7.001 -3.051 6.980 78 H CYS 16 H CYS 16 5.740 -4.307 6.236 79 HA CYS 16 HA CYS 16 7.068 -6.756 6.742 80 HB2 CYS 16 1HB CYS 16 5.798 -6.880 8.669 81 HB3 CYS 16 2HB CYS 16 5.733 -5.151 8.340 82 H ASP 17 H ASP 17 5.395 -8.697 7.322 83 HA ASP 17 HA ASP 17 3.784 -9.185 4.907 84 HB2 ASP 17 1HB ASP 17 5.788 -10.427 4.545 85 HB3 ASP 17 2HB ASP 17 5.793 -11.028 6.201 86 H CYS 18 H CYS 18 1.872 -8.760 6.018 87 HA CYS 18 HA CYS 18 1.196 -10.696 8.135 88 HB2 CYS 18 1HB CYS 18 1.277 -8.239 8.785 89 HB3 CYS 18 2HB CYS 18 -0.119 -8.009 7.740 90 HG CYS 18 HG CYS 18 0.067 -9.642 10.711 91 H ARG 19 H ARG 19 -0.978 -11.497 8.171 92 HA ARG 19 HA ARG 19 -2.065 -11.798 5.481 93 HB2 ARG 19 1HB ARG 19 -2.484 -13.275 8.071 94 HB3 ARG 19 2HB ARG 19 -3.541 -13.523 6.688 95 HG2 ARG 19 1HG ARG 19 -1.509 -14.109 5.350 96 HG3 ARG 19 2HG ARG 19 -0.589 -14.064 6.856 97 HD2 ARG 19 1HD ARG 19 -3.062 -15.734 6.646 98 HD3 ARG 19 2HD ARG 19 -1.535 -16.325 5.992 99 HE ARG 19 HE ARG 19 -2.234 -16.005 8.781 100 HH11 ARG 19 1HH1 ARG 19 0.309 -16.441 6.444 101 HH12 ARG 19 2HH1 ARG 19 1.434 -17.085 7.594 102 HH21 ARG 19 1HH2 ARG 19 -0.763 -16.851 10.305 103 HH22 ARG 19 2HH2 ARG 19 0.823 -17.319 9.790 104 H PHE 20 H PHE 20 -3.951 -10.957 4.820 105 HA PHE 20 HA PHE 20 -5.704 -9.718 6.833 106 HB2 PHE 20 1HB PHE 20 -5.182 -8.521 4.112 107 HB3 PHE 20 2HB PHE 20 -6.026 -7.786 5.471 108 HD1 PHE 20 2HD PHE 20 -4.778 -6.952 7.404 109 HD2 PHE 20 1HD PHE 20 -2.798 -8.520 3.978 110 HE1 PHE 20 2HE PHE 20 -2.676 -5.913 8.148 111 HE2 PHE 20 1HE PHE 20 -0.692 -7.484 4.717 112 HZ PHE 20 HZ PHE 20 -0.630 -6.178 6.804 113 H SER 21 H SER 21 -7.907 -9.788 6.425 114 HA SER 21 HA SER 21 -8.851 -11.996 4.958 115 HB2 SER 21 1HB SER 21 -11.092 -11.177 5.513 116 HB3 SER 21 2HB SER 21 -10.031 -11.062 6.916 117 HG SER 21 HG SER 21 -10.423 -9.009 6.938 118 H GLU 22 H GLU 22 -8.771 -8.539 4.238 119 HA GLU 22 HA GLU 22 -9.032 -9.125 1.411 120 HB2 GLU 22 1HB GLU 22 -11.375 -8.860 2.284 121 HB3 GLU 22 2HB GLU 22 -10.963 -7.207 2.719 122 HG2 GLU 22 1HG GLU 22 -10.923 -6.494 0.553 123 HG3 GLU 22 2HG GLU 22 -10.491 -8.082 -0.078 124 H GLU 23 H GLU 23 -8.806 -7.076 0.094 125 HA GLU 23 HA GLU 23 -6.445 -5.792 0.623 126 HB2 GLU 23 1HB GLU 23 -7.632 -5.763 -1.556 127 HB3 GLU 23 2HB GLU 23 -8.779 -4.608 -0.891 128 HG2 GLU 23 1HG GLU 23 -7.058 -3.548 -2.279 129 HG3 GLU 23 2HG GLU 23 -7.042 -2.967 -0.615 130 H ALA 24 H ALA 24 -9.714 -4.649 1.405 131 HA ALA 24 HA ALA 24 -9.175 -2.153 2.403 132 HB1 ALA 24 3HB ALA 24 -11.250 -2.203 3.382 133 HB2 ALA 24 1HB ALA 24 -11.406 -3.513 2.210 134 HB3 ALA 24 2HB ALA 24 -11.084 -3.879 3.905 135 H SER 25 H SER 25 -9.225 -5.171 4.307 136 HA SER 25 HA SER 25 -8.543 -4.269 6.771 137 HB2 SER 25 1HB SER 25 -7.866 -6.767 5.283 138 HB3 SER 25 2HB SER 25 -7.065 -6.476 6.827 139 HG SER 25 HG SER 25 -9.821 -6.095 6.730 140 H LEU 26 H LEU 26 -6.075 -5.392 4.450 141 HA LEU 26 HA LEU 26 -3.809 -4.629 5.737 142 HB2 LEU 26 1HB LEU 26 -3.590 -5.779 3.699 143 HB3 LEU 26 2HB LEU 26 -4.498 -4.553 2.817 144 HG LEU 26 HG LEU 26 -2.611 -2.993 3.085 145 HD11 LEU 26 1HD1 LEU 26 -1.769 -4.087 5.193 146 HD12 LEU 26 2HD1 LEU 26 -0.537 -3.649 4.010 147 HD13 LEU 26 3HD1 LEU 26 -1.053 -5.328 4.164 148 HD21 LEU 26 3HD2 LEU 26 -1.044 -4.189 1.570 149 HD22 LEU 26 1HD2 LEU 26 -2.729 -4.271 1.057 150 HD23 LEU 26 2HD2 LEU 26 -1.976 -5.663 1.836 151 H LYS 27 H LYS 27 -5.352 -2.553 3.277 152 HA LYS 27 HA LYS 27 -3.987 -0.268 3.464 153 HB2 LYS 27 1HB LYS 27 -6.948 -0.710 3.290 154 HB3 LYS 27 2HB LYS 27 -6.307 0.926 3.348 155 HG2 LYS 27 1HG LYS 27 -5.112 0.626 1.325 156 HG3 LYS 27 2HG LYS 27 -5.408 -1.114 1.332 157 HD2 LYS 27 1HD LYS 27 -7.688 -0.833 0.819 158 HD3 LYS 27 2HD LYS 27 -7.650 0.886 1.220 159 HE2 LYS 27 1HE LYS 27 -6.012 -0.261 -1.021 160 HE3 LYS 27 2HE LYS 27 -7.685 0.242 -1.256 161 HZ1 LYS 27 3HZ LYS 27 -6.588 2.152 -1.787 162 HZ2 LYS 27 1HZ LYS 27 -5.311 1.873 -0.713 163 HZ3 LYS 27 2HZ LYS 27 -6.803 2.416 -0.130 164 H ARG 28 H ARG 28 -6.474 -1.239 5.809 165 HA ARG 28 HA ARG 28 -6.185 1.050 7.458 166 HB2 ARG 28 1HB ARG 28 -8.212 -0.261 7.550 167 HB3 ARG 28 2HB ARG 28 -7.311 -1.693 8.034 168 HG2 ARG 28 1HG ARG 28 -6.615 -0.334 10.087 169 HG3 ARG 28 2HG ARG 28 -7.915 0.768 9.630 170 HD2 ARG 28 1HD ARG 28 -9.371 -1.369 9.544 171 HD3 ARG 28 2HD ARG 28 -8.078 -2.092 10.502 172 HE ARG 28 HE ARG 28 -8.743 -0.834 12.309 173 HH11 ARG 28 1HH1 ARG 28 -10.344 0.297 9.432 174 HH12 ARG 28 2HH1 ARG 28 -11.442 1.326 10.290 175 HH21 ARG 28 1HH2 ARG 28 -10.183 0.517 13.450 176 HH22 ARG 28 2HH2 ARG 28 -11.349 1.451 12.576 177 H HIS 29 H HIS 29 -4.936 -2.269 7.724 178 HA HIS 29 HA HIS 29 -3.581 -2.025 10.130 179 HB2 HIS 29 1HB HIS 29 -3.666 -4.201 9.334 180 HB3 HIS 29 2HB HIS 29 -3.194 -3.734 7.703 181 HD1 HIS 29 1HD HIS 29 -1.771 -4.562 11.064 182 HD2 HIS 29 2HD HIS 29 -0.442 -3.633 7.239 183 HE1 HIS 29 1HE HIS 29 0.688 -5.086 11.061 184 H THR 30 H THR 30 -2.491 -1.229 6.857 185 HA THR 30 HA THR 30 0.168 -0.604 7.466 186 HB THR 30 HB THR 30 -1.515 0.721 5.333 187 HG1 THR 30 1HG THR 30 -1.253 -1.777 5.524 188 HG21 THR 30 3HG2 THR 30 0.631 0.921 4.149 189 HG22 THR 30 1HG2 THR 30 1.457 0.217 5.538 190 HG23 THR 30 2HG2 THR 30 0.654 1.780 5.689 191 H LEU 31 H LEU 31 -2.761 1.362 7.589 192 HA LEU 31 HA LEU 31 -1.378 3.792 8.208 193 HB2 LEU 31 1HB LEU 31 -3.459 4.047 7.151 194 HB3 LEU 31 2HB LEU 31 -4.256 2.945 8.271 195 HG LEU 31 HG LEU 31 -3.908 4.676 10.061 196 HD11 LEU 31 1HD1 LEU 31 -3.085 6.756 9.627 197 HD12 LEU 31 2HD1 LEU 31 -3.551 6.710 7.927 198 HD13 LEU 31 3HD1 LEU 31 -2.130 5.822 8.476 199 HD21 LEU 31 3HD2 LEU 31 -6.075 4.808 9.496 200 HD22 LEU 31 1HD2 LEU 31 -5.729 4.793 7.766 201 HD23 LEU 31 2HD2 LEU 31 -5.598 6.297 8.678 202 H GLN 32 H GLN 32 -3.110 1.336 10.072 203 HA GLN 32 HA GLN 32 -2.815 2.707 12.566 204 HB2 GLN 32 1HB GLN 32 -3.533 -0.161 11.944 205 HB3 GLN 32 2HB GLN 32 -3.595 0.555 13.549 206 HG2 GLN 32 1HG GLN 32 -5.110 1.813 11.310 207 HG3 GLN 32 2HG GLN 32 -5.748 0.377 12.108 208 HE21 GLN 32 1HE2 GLN 32 -6.146 0.485 14.386 209 HE22 GLN 32 2HE2 GLN 32 -6.513 2.000 15.130 210 H THR 33 H THR 33 -1.489 -0.432 11.509 211 HA THR 33 HA THR 33 0.448 -0.609 13.519 212 HB THR 33 HB THR 33 0.518 -1.844 10.759 213 HG1 THR 33 1HG THR 33 -1.297 -2.273 12.370 214 HG21 THR 33 3HG2 THR 33 1.984 -2.608 13.287 215 HG22 THR 33 1HG2 THR 33 2.709 -1.892 11.848 216 HG23 THR 33 2HG2 THR 33 2.007 -3.509 11.771 217 H HIS 34 H HIS 34 0.830 0.387 10.116 218 HA HIS 34 HA HIS 34 3.412 1.596 10.834 219 HB2 HIS 34 1HB HIS 34 2.404 1.095 8.037 220 HB3 HIS 34 2HB HIS 34 4.059 1.406 8.555 221 HD1 HIS 34 1HD HIS 34 5.476 -0.591 9.046 222 HD2 HIS 34 2HD HIS 34 1.434 -1.533 8.845 223 HE1 HIS 34 1HE HIS 34 5.363 -3.100 9.170 224 H SER 35 H SER 35 3.871 3.507 9.146 225 HA SER 35 HA SER 35 3.489 5.720 8.759 226 HB2 SER 35 1HB SER 35 0.726 4.656 8.128 227 HB3 SER 35 2HB SER 35 1.308 6.265 7.700 228 HG SER 35 HG SER 35 2.943 5.237 6.454 229 H ASP 36 H ASP 36 3.451 5.141 11.421 230 HA ASP 36 HA ASP 36 1.085 6.261 12.649 231 HB2 ASP 36 1HB ASP 36 2.519 6.037 14.760 232 HB3 ASP 36 2HB ASP 36 2.087 4.548 13.923 233 H LYS 37 H LYS 37 1.528 7.968 14.436 234 HA LYS 37 HA LYS 37 2.246 10.367 13.174 235 HB2 LYS 37 1HB LYS 37 2.034 11.387 15.401 236 HB3 LYS 37 2HB LYS 37 0.694 10.303 15.052 237 HG2 LYS 37 1HG LYS 37 2.107 8.547 16.329 238 HG3 LYS 37 2HG LYS 37 2.957 9.955 16.970 239 HD2 LYS 37 1HD LYS 37 -0.035 9.809 17.046 240 HD3 LYS 37 2HD LYS 37 0.938 9.003 18.280 241 HE2 LYS 37 1HE LYS 37 2.056 11.171 18.735 242 HE3 LYS 37 2HE LYS 37 0.961 11.939 17.587 243 HZ1 LYS 37 3HZ LYS 37 -0.562 10.455 19.410 244 HZ2 LYS 37 1HZ LYS 37 -0.529 12.133 19.192 245 HZ3 LYS 37 2HZ LYS 37 0.525 11.403 20.295 246 H SER 38 H SER 38 4.000 8.366 15.522 247 HA SER 38 HA SER 38 6.301 10.103 15.487 248 HB2 SER 38 1HB SER 38 5.594 8.765 17.496 249 HB3 SER 38 2HB SER 38 6.093 7.310 16.633 250 HG SER 38 HG SER 38 7.926 9.404 16.805 251 H GLY 39 H GLY 39 6.695 10.055 13.182 252 HA2 GLY 39 1HA GLY 39 8.142 7.609 12.367 253 HA3 GLY 39 2HA GLY 39 7.136 8.518 11.248 254 HA PRO 40 HA PRO 40 10.516 11.040 10.072 255 HB2 PRO 40 1HB PRO 40 9.417 13.516 9.888 256 HB3 PRO 40 2HB PRO 40 9.072 12.223 8.733 257 HG2 PRO 40 1HG PRO 40 7.454 13.153 11.073 258 HG3 PRO 40 2HG PRO 40 6.913 12.721 9.441 259 HD2 PRO 40 1HD PRO 40 6.690 11.030 11.544 260 HD3 PRO 40 2HD PRO 40 6.966 10.460 9.886 261 H SER 41 H SER 41 11.704 13.146 10.609 262 HA SER 41 HA SER 41 12.571 13.087 13.252 263 HB2 SER 41 1HB SER 41 12.799 15.283 11.184 264 HB3 SER 41 2HB SER 41 13.662 15.287 12.722 265 HG SER 41 HG SER 41 14.274 13.011 11.846 266 H SER 42 H SER 42 11.660 13.758 15.067 267 HA SER 42 HA SER 42 9.372 15.558 14.950 268 HB2 SER 42 1HB SER 42 10.444 13.610 16.930 269 HB3 SER 42 2HB SER 42 9.519 14.974 17.556 270 HG SER 42 HG SER 42 7.821 14.354 16.138 271 H GLY 43 H GLY 43 12.549 15.352 16.520 272 HA2 GLY 43 1HA GLY 43 13.730 17.597 16.425 273 HA3 GLY 43 2HA GLY 43 12.291 18.206 17.229
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