NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
646194 | 6okx | 30599 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 -38.480 5.700 14.825 2 H2 GLY 1 HT2 GLY 1 -39.019 5.263 16.376 3 H3 GLY 1 HT3 GLY 1 -38.277 4.108 15.374 4 HA2 GLY 1 HA2 GLY 1 -36.354 4.579 16.335 5 HA3 GLY 1 HA1 GLY 1 -36.454 6.160 15.556 6 H SER 2 HN SER 2 -36.003 4.738 18.459 7 HA SER 2 HA SER 2 -36.645 7.170 19.906 8 HB2 SER 2 HB2 SER 2 -38.786 5.961 19.995 9 HB3 SER 2 HB1 SER 2 -37.971 4.542 20.648 10 HG SER 2 HG SER 2 -38.838 6.761 21.909 11 H VAL 3 HN VAL 3 -36.346 6.269 22.515 12 HA VAL 3 HA VAL 3 -33.591 6.034 22.813 13 HB VAL 3 HB VAL 3 -35.276 6.667 24.612 14 HG11 VAL 3 HG11 VAL 3 -36.640 4.511 24.194 15 HG12 VAL 3 HG12 VAL 3 -36.361 4.971 25.871 16 HG13 VAL 3 HG13 VAL 3 -35.397 3.691 25.136 17 HG21 VAL 3 HG21 VAL 3 -33.232 4.552 25.353 18 HG22 VAL 3 HG22 VAL 3 -33.863 5.817 26.408 19 HG23 VAL 3 HG23 VAL 3 -32.849 6.243 25.029 20 H GLU 4 HN GLU 4 -35.848 3.659 21.882 21 HA GLU 4 HA GLU 4 -34.682 1.310 22.883 22 HB2 GLU 4 HB2 GLU 4 -35.882 0.150 21.108 23 HB3 GLU 4 HB1 GLU 4 -36.910 1.402 21.804 24 HG2 GLU 4 HG2 GLU 4 -36.232 2.930 19.943 25 HG3 GLU 4 HG1 GLU 4 -35.331 1.598 19.221 26 H LYS 5 HN LYS 5 -33.541 3.503 20.510 27 HA LYS 5 HA LYS 5 -32.040 1.774 18.860 28 HB2 LYS 5 HB2 LYS 5 -31.577 4.662 19.642 29 HB3 LYS 5 HB1 LYS 5 -30.605 3.810 18.444 30 HG2 LYS 5 HG2 LYS 5 -32.630 3.342 17.119 31 HG3 LYS 5 HG1 LYS 5 -33.611 4.193 18.314 32 HD2 LYS 5 HD2 LYS 5 -32.340 6.265 17.889 33 HD3 LYS 5 HD1 LYS 5 -31.357 5.417 16.695 34 HE2 LYS 5 HE2 LYS 5 -33.377 4.954 15.356 35 HE3 LYS 5 HE1 LYS 5 -34.362 5.795 16.551 36 HZ1 LYS 5 HZ1 LYS 5 -33.972 7.456 15.054 37 HZ2 LYS 5 HZ2 LYS 5 -32.427 6.887 14.634 38 HZ3 LYS 5 HZ3 LYS 5 -32.664 7.699 16.107 39 H LEU 6 HN LEU 6 -31.301 3.328 21.944 40 HA LEU 6 HA LEU 6 -28.576 2.561 22.065 41 HB2 LEU 6 HB2 LEU 6 -30.536 3.232 24.279 42 HB3 LEU 6 HB1 LEU 6 -28.815 2.967 24.534 43 HG LEU 6 HG LEU 6 -29.949 5.037 22.630 44 HD11 LEU 6 HD11 LEU 6 -30.545 5.532 24.976 45 HD12 LEU 6 HD12 LEU 6 -29.357 6.684 24.363 46 HD13 LEU 6 HD13 LEU 6 -28.849 5.381 25.437 47 HD21 LEU 6 HD21 LEU 6 -27.762 4.709 21.889 48 HD22 LEU 6 HD22 LEU 6 -27.176 4.222 23.480 49 HD23 LEU 6 HD23 LEU 6 -27.482 5.923 23.133 50 H THR 7 HN THR 7 -31.560 0.900 22.892 51 HA THR 7 HA THR 7 -30.424 -1.169 24.438 52 HB THR 7 HB THR 7 -32.918 -1.187 22.728 53 HG1 THR 7 HG1 THR 7 -32.279 -0.403 25.337 54 HG21 THR 7 HG21 THR 7 -31.891 -3.070 24.860 55 HG22 THR 7 HG22 THR 7 -32.284 -3.462 23.186 56 HG23 THR 7 HG23 THR 7 -33.568 -3.042 24.319 57 H ALA 8 HN ALA 8 -30.979 -0.878 20.925 58 HA ALA 8 HA ALA 8 -30.049 -3.543 20.377 59 HB1 ALA 8 HB1 ALA 8 -30.275 -1.217 18.446 60 HB2 ALA 8 HB2 ALA 8 -31.604 -2.306 18.853 61 HB3 ALA 8 HB3 ALA 8 -30.170 -2.929 18.040 62 H ASP 9 HN ASP 9 -28.572 -0.490 20.931 63 HA ASP 9 HA ASP 9 -26.160 -0.906 19.470 64 HB2 ASP 9 HB2 ASP 9 -26.760 0.853 21.857 65 HB3 ASP 9 HB1 ASP 9 -25.197 0.815 21.052 66 H ALA 10 HN ALA 10 -27.304 -2.059 22.538 67 HA ALA 10 HA ALA 10 -24.836 -2.697 23.738 68 HB1 ALA 10 HB1 ALA 10 -26.170 -4.445 25.011 69 HB2 ALA 10 HB2 ALA 10 -27.580 -3.935 24.087 70 HB3 ALA 10 HB3 ALA 10 -26.755 -2.790 25.144 71 H GLU 11 HN GLU 11 -26.789 -4.455 21.365 72 HA GLU 11 HA GLU 11 -25.360 -6.893 21.517 73 HB2 GLU 11 HB2 GLU 11 -27.000 -5.699 19.266 74 HB3 GLU 11 HB1 GLU 11 -26.259 -7.295 19.184 75 HG2 GLU 11 HG2 GLU 11 -28.119 -6.445 21.420 76 HG3 GLU 11 HG1 GLU 11 -28.664 -7.283 19.969 77 H LEU 12 HN LEU 12 -24.787 -3.920 19.688 78 HA LEU 12 HA LEU 12 -22.768 -4.945 17.996 79 HB2 LEU 12 HB2 LEU 12 -23.351 -2.133 18.958 80 HB3 LEU 12 HB1 LEU 12 -22.005 -2.505 17.882 81 HG LEU 12 HG LEU 12 -23.547 -3.488 16.249 82 HD11 LEU 12 HD11 LEU 12 -25.317 -4.404 17.508 83 HD12 LEU 12 HD12 LEU 12 -26.064 -3.016 16.722 84 HD13 LEU 12 HD13 LEU 12 -25.571 -2.912 18.413 85 HD21 LEU 12 HD21 LEU 12 -24.616 -0.797 17.144 86 HD22 LEU 12 HD22 LEU 12 -24.559 -1.438 15.501 87 HD23 LEU 12 HD23 LEU 12 -23.065 -0.993 16.326 88 H GLN 13 HN GLN 13 -22.666 -3.653 21.288 89 HA GLN 13 HA GLN 13 -19.843 -3.498 21.479 90 HB2 GLN 13 HB2 GLN 13 -21.969 -3.757 23.620 91 HB3 GLN 13 HB1 GLN 13 -20.250 -3.608 23.978 92 HG2 GLN 13 HG2 GLN 13 -20.132 -1.465 22.881 93 HG3 GLN 13 HG1 GLN 13 -21.771 -1.631 22.258 94 HE21 GLN 13 HE21 GLN 13 -20.701 0.492 24.087 95 HE22 GLN 13 HE22 GLN 13 -21.661 0.410 25.484 96 H ARG 14 HN ARG 14 -22.128 -6.142 22.034 97 HA ARG 14 HA ARG 14 -20.317 -7.909 23.277 98 HB2 ARG 14 HB2 ARG 14 -22.812 -8.451 21.638 99 HB3 ARG 14 HB1 ARG 14 -21.892 -9.717 22.445 100 HG2 ARG 14 HG2 ARG 14 -22.802 -7.311 24.015 101 HG3 ARG 14 HG1 ARG 14 -23.940 -8.613 23.676 102 HD2 ARG 14 HD2 ARG 14 -21.247 -8.999 25.025 103 HD3 ARG 14 HD1 ARG 14 -22.784 -8.893 25.866 104 HE ARG 14 HE ARG 14 -23.083 -10.894 23.962 105 HH11 ARG 14 HH11 ARG 14 -22.769 -13.074 24.517 106 HH12 ARG 14 HH12 ARG 14 -21.791 -13.482 25.889 107 HH21 ARG 14 HH21 ARG 14 -21.078 -10.184 26.692 108 HH22 ARG 14 HH22 ARG 14 -20.835 -11.846 27.119 109 H LEU 15 HN LEU 15 -20.963 -7.222 19.865 110 HA LEU 15 HA LEU 15 -19.491 -9.389 18.804 111 HB2 LEU 15 HB2 LEU 15 -20.136 -6.671 17.624 112 HB3 LEU 15 HB1 LEU 15 -19.336 -7.958 16.731 113 HG LEU 15 HG LEU 15 -22.023 -8.275 18.099 114 HD11 LEU 15 HD11 LEU 15 -22.397 -6.674 16.389 115 HD12 LEU 15 HD12 LEU 15 -22.844 -8.218 15.662 116 HD13 LEU 15 HD13 LEU 15 -21.289 -7.481 15.277 117 HD21 LEU 15 HD21 LEU 15 -22.034 -10.182 16.232 118 HD22 LEU 15 HD22 LEU 15 -21.256 -10.457 17.784 119 HD23 LEU 15 HD23 LEU 15 -20.284 -10.034 16.376 120 H LYS 16 HN LYS 16 -18.526 -6.169 19.893 121 HA LYS 16 HA LYS 16 -15.830 -6.386 18.921 122 HB2 LYS 16 HB2 LYS 16 -16.990 -4.569 21.053 123 HB3 LYS 16 HB1 LYS 16 -15.421 -4.378 20.278 124 HG2 LYS 16 HG2 LYS 16 -18.039 -4.382 18.751 125 HG3 LYS 16 HG1 LYS 16 -17.257 -2.913 19.329 126 HD2 LYS 16 HD2 LYS 16 -15.180 -3.673 18.044 127 HD3 LYS 16 HD1 LYS 16 -16.211 -4.884 17.284 128 HE2 LYS 16 HE2 LYS 16 -16.767 -1.909 17.260 129 HE3 LYS 16 HE1 LYS 16 -16.042 -2.807 15.927 130 HZ1 LYS 16 HZ1 LYS 16 -18.738 -3.236 17.093 131 HZ2 LYS 16 HZ2 LYS 16 -18.033 -4.232 15.911 132 HZ3 LYS 16 HZ3 LYS 16 -18.384 -2.608 15.558 133 H ASN 17 HN ASN 17 -17.533 -7.663 21.570 134 HA ASN 17 HA ASN 17 -15.158 -7.975 23.261 135 HB2 ASN 17 HB2 ASN 17 -18.018 -8.883 23.677 136 HB3 ASN 17 HB1 ASN 17 -16.718 -9.005 24.861 137 HD21 ASN 17 HD21 ASN 17 -15.483 -6.635 24.958 138 HD22 ASN 17 HD22 ASN 17 -16.560 -5.350 25.217 139 H GLU 18 HN GLU 18 -16.152 -9.456 20.573 140 HA GLU 18 HA GLU 18 -16.257 -12.202 21.218 141 HB2 GLU 18 HB2 GLU 18 -15.809 -12.601 18.862 142 HB3 GLU 18 HB1 GLU 18 -16.932 -11.250 19.017 143 HG2 GLU 18 HG2 GLU 18 -14.980 -9.682 18.834 144 HG3 GLU 18 HG1 GLU 18 -13.946 -11.073 18.512 145 H ALA 19 HN ALA 19 -13.658 -9.964 21.140 146 HA ALA 19 HA ALA 19 -11.502 -11.698 20.591 147 HB1 ALA 19 HB1 ALA 19 -11.622 -9.117 22.172 148 HB2 ALA 19 HB2 ALA 19 -11.008 -9.375 20.541 149 HB3 ALA 19 HB3 ALA 19 -10.127 -10.017 21.924 150 H ALA 20 HN ALA 20 -13.258 -11.018 23.580 151 HA ALA 20 HA ALA 20 -11.476 -12.306 25.355 152 HB1 ALA 20 HB1 ALA 20 -14.482 -11.981 25.616 153 HB2 ALA 20 HB2 ALA 20 -13.265 -10.825 26.164 154 HB3 ALA 20 HB3 ALA 20 -13.373 -12.414 26.916 155 H GLU 21 HN GLU 21 -13.793 -13.567 23.093 156 HA GLU 21 HA GLU 21 -14.255 -16.079 24.295 157 HB2 GLU 21 HB2 GLU 21 -15.630 -15.268 22.419 158 HB3 GLU 21 HB1 GLU 21 -14.255 -15.421 21.327 159 HG2 GLU 21 HG2 GLU 21 -14.152 -17.834 21.759 160 HG3 GLU 21 HG1 GLU 21 -15.480 -17.697 22.909 161 H GLU 22 HN GLU 22 -11.643 -14.954 22.162 162 HA GLU 22 HA GLU 22 -10.461 -17.501 21.771 163 HB2 GLU 22 HB2 GLU 22 -9.274 -14.711 21.618 164 HB3 GLU 22 HB1 GLU 22 -8.386 -16.174 21.208 165 HG2 GLU 22 HG2 GLU 22 -9.235 -15.456 19.135 166 HG3 GLU 22 HG1 GLU 22 -10.377 -16.703 19.624 167 H ALA 23 HN ALA 23 -10.151 -15.081 24.318 168 HA ALA 23 HA ALA 23 -7.864 -16.159 25.582 169 HB1 ALA 23 HB1 ALA 23 -8.589 -14.922 27.579 170 HB2 ALA 23 HB2 ALA 23 -10.167 -14.637 26.846 171 HB3 ALA 23 HB3 ALA 23 -8.718 -13.916 26.137 172 H GLU 24 HN GLU 24 -11.160 -17.202 25.479 173 HA GLU 24 HA GLU 24 -11.255 -18.683 27.880 174 HB2 GLU 24 HB2 GLU 24 -13.286 -18.195 26.568 175 HB3 GLU 24 HB1 GLU 24 -12.730 -19.269 25.288 176 HG2 GLU 24 HG2 GLU 24 -12.745 -21.166 26.842 177 HG3 GLU 24 HG1 GLU 24 -13.237 -20.101 28.157 178 H LEU 25 HN LEU 25 -10.014 -19.498 24.662 179 HA LEU 25 HA LEU 25 -9.609 -22.248 25.156 180 HB2 LEU 25 HB2 LEU 25 -9.539 -21.357 22.874 181 HB3 LEU 25 HB1 LEU 25 -8.095 -20.422 23.252 182 HG LEU 25 HG LEU 25 -6.867 -22.522 23.725 183 HD11 LEU 25 HD11 LEU 25 -9.577 -23.714 23.153 184 HD12 LEU 25 HD12 LEU 25 -8.437 -24.110 24.440 185 HD13 LEU 25 HD13 LEU 25 -8.122 -24.643 22.793 186 HD21 LEU 25 HD21 LEU 25 -6.955 -21.499 21.430 187 HD22 LEU 25 HD22 LEU 25 -8.270 -22.608 21.039 188 HD23 LEU 25 HD23 LEU 25 -6.667 -23.239 21.416 189 H GLU 26 HN GLU 26 -7.594 -19.404 25.805 190 HA GLU 26 HA GLU 26 -5.255 -20.799 26.537 191 HB2 GLU 26 HB2 GLU 26 -6.268 -18.058 27.342 192 HB3 GLU 26 HB1 GLU 26 -4.696 -18.694 27.825 193 HG2 GLU 26 HG2 GLU 26 -4.018 -18.936 25.513 194 HG3 GLU 26 HG1 GLU 26 -5.628 -18.493 24.951 195 H ARG 27 HN ARG 27 -8.162 -19.951 28.365 196 HA ARG 27 HA ARG 27 -7.164 -20.548 30.932 197 HB2 ARG 27 HB2 ARG 27 -9.288 -19.354 30.633 198 HB3 ARG 27 HB1 ARG 27 -10.026 -20.800 29.944 199 HG2 ARG 27 HG2 ARG 27 -9.709 -22.013 32.026 200 HG3 ARG 27 HG1 ARG 27 -8.815 -20.659 32.717 201 HD2 ARG 27 HD2 ARG 27 -11.121 -20.620 33.528 202 HD3 ARG 27 HD1 ARG 27 -10.832 -19.233 32.481 203 HE ARG 27 HE ARG 27 -11.867 -21.426 30.981 204 HH11 ARG 27 HH11 ARG 27 -14.032 -21.297 30.308 205 HH12 ARG 27 HH12 ARG 27 -15.110 -20.185 31.085 206 HH21 ARG 27 HH21 ARG 27 -12.707 -18.970 33.270 207 HH22 ARG 27 HH22 ARG 27 -14.359 -18.867 32.760 208 H LEU 28 HN LEU 28 -8.553 -22.629 28.421 209 HA LEU 28 HA LEU 28 -8.769 -24.957 30.014 210 HB2 LEU 28 HB2 LEU 28 -8.445 -24.630 27.018 211 HB3 LEU 28 HB1 LEU 28 -8.722 -26.177 27.805 212 HG LEU 28 HG LEU 28 -10.547 -23.776 28.121 213 HD11 LEU 28 HD11 LEU 28 -12.054 -25.019 26.563 214 HD12 LEU 28 HD12 LEU 28 -10.754 -26.175 26.276 215 HD13 LEU 28 HD13 LEU 28 -10.559 -24.489 25.793 216 HD21 LEU 28 HD21 LEU 28 -11.060 -25.154 29.935 217 HD22 LEU 28 HD22 LEU 28 -10.587 -26.629 29.093 218 HD23 LEU 28 HD23 LEU 28 -12.119 -25.848 28.713 219 H LYS 29 HN LYS 29 -6.084 -23.552 28.207 220 HA LYS 29 HA LYS 29 -4.371 -25.799 28.310 221 HB2 LYS 29 HB2 LYS 29 -3.754 -22.843 28.086 222 HB3 LYS 29 HB1 LYS 29 -2.540 -24.113 27.954 223 HG2 LYS 29 HG2 LYS 29 -3.778 -25.122 26.079 224 HG3 LYS 29 HG1 LYS 29 -5.001 -23.856 26.203 225 HD2 LYS 29 HD2 LYS 29 -3.274 -22.147 25.747 226 HD3 LYS 29 HD1 LYS 29 -2.063 -23.422 25.593 227 HE2 LYS 29 HE2 LYS 29 -4.552 -23.175 23.877 228 HE3 LYS 29 HE1 LYS 29 -2.931 -22.695 23.379 229 HZ1 LYS 29 HZ1 LYS 29 -2.226 -25.016 23.841 230 HZ2 LYS 29 HZ2 LYS 29 -3.339 -24.876 22.565 231 HZ3 LYS 29 HZ3 LYS 29 -3.854 -25.424 24.089 232 H SER 30 HN SER 30 -5.160 -23.345 30.685 233 HA SER 30 HA SER 30 -2.906 -23.651 32.362 234 HB2 SER 30 HB2 SER 30 -4.263 -22.624 34.097 235 HB3 SER 30 HB1 SER 30 -4.553 -21.799 32.567 236 HG SER 30 HG SER 30 -6.162 -23.988 33.115 237 H GLU 31 HN GLU 31 -5.666 -25.653 31.801 238 HA GLU 31 HA GLU 31 -5.711 -27.075 34.242 239 HB2 GLU 31 HB2 GLU 31 -6.593 -27.887 31.458 240 HB3 GLU 31 HB1 GLU 31 -6.826 -28.895 32.885 241 HG2 GLU 31 HG2 GLU 31 -8.155 -27.180 33.956 242 HG3 GLU 31 HG1 GLU 31 -7.807 -26.040 32.658 243 H ARG 32 HN ARG 32 -3.776 -27.454 31.310 244 HA ARG 32 HA ARG 32 -1.865 -28.692 30.905 245 HB2 ARG 32 HB2 ARG 32 -1.363 -27.718 33.265 246 HB3 ARG 32 HB1 ARG 32 -1.730 -29.339 33.849 247 HG2 ARG 32 HG2 ARG 32 -0.006 -30.281 32.369 248 HG3 ARG 32 HG1 ARG 32 0.345 -28.672 31.739 249 HD2 ARG 32 HD2 ARG 32 0.940 -27.945 34.049 250 HD3 ARG 32 HD1 ARG 32 0.685 -29.597 34.605 251 HE ARG 32 HE ARG 32 2.506 -29.661 32.460 252 HH11 ARG 32 HH11 ARG 32 4.728 -29.841 32.901 253 HH12 ARG 32 HH12 ARG 32 5.332 -29.397 34.463 254 HH21 ARG 32 HH21 ARG 32 2.223 -28.505 35.709 255 HH22 ARG 32 HH22 ARG 32 3.915 -28.640 36.051 256 H HIS 33 HN HIS 33 -4.720 -29.901 31.851 257 HA HIS 33 HA HIS 33 -4.221 -32.597 32.514 258 HB2 HIS 33 HB2 HIS 33 -6.454 -31.620 32.759 259 HB3 HIS 33 HB1 HIS 33 -6.577 -31.423 31.008 260 HD2 HIS 33 HD2 HIS 33 -7.636 -33.638 29.738 261 HE1 HIS 33 HE1 HIS 33 -7.067 -36.433 32.851 262 HE2 HIS 33 HE2 HIS 33 -8.046 -36.091 30.532 263 H ASP 34 HN ASP 34 -4.763 -31.051 29.355 264 HA ASP 34 HA ASP 34 -4.550 -33.406 27.816 265 HB2 ASP 34 HB2 ASP 34 -4.085 -30.503 27.084 266 HB3 ASP 34 HB1 ASP 34 -3.987 -31.819 25.918 267 H HIS 35 HN HIS 35 -2.090 -31.151 29.003 268 HA HIS 35 HA HIS 35 0.057 -32.237 27.484 269 HB2 HIS 35 HB2 HIS 35 0.039 -30.630 30.054 270 HB3 HIS 35 HB1 HIS 35 1.508 -31.113 29.215 271 HD2 HIS 35 HD2 HIS 35 -0.700 -30.372 26.347 272 HE1 HIS 35 HE1 HIS 35 0.740 -26.565 27.464 273 HE2 HIS 35 HE2 HIS 35 -0.430 -27.878 25.633 274 H ASP 36 HN ASP 36 -1.398 -33.076 30.575 275 HA ASP 36 HA ASP 36 0.651 -34.772 31.523 276 HB2 ASP 36 HB2 ASP 36 -2.326 -34.733 32.063 277 HB3 ASP 36 HB1 ASP 36 -1.211 -35.833 32.870 278 H LYS 37 HN LYS 37 -1.836 -35.219 29.127 279 HA LYS 37 HA LYS 37 -1.910 -38.052 29.111 280 HB2 LYS 37 HB2 LYS 37 -2.533 -36.037 26.938 281 HB3 LYS 37 HB1 LYS 37 -2.822 -37.768 26.788 282 HG2 LYS 37 HG2 LYS 37 -4.276 -37.710 28.775 283 HG3 LYS 37 HG1 LYS 37 -3.988 -35.979 28.940 284 HD2 LYS 37 HD2 LYS 37 -4.980 -35.596 26.713 285 HD3 LYS 37 HD1 LYS 37 -5.270 -37.328 26.545 286 HE2 LYS 37 HE2 LYS 37 -6.729 -37.285 28.532 287 HE3 LYS 37 HE1 LYS 37 -6.437 -35.555 28.712 288 HZ1 LYS 37 HZ1 LYS 37 -8.526 -36.331 27.467 289 HZ2 LYS 37 HZ2 LYS 37 -7.467 -36.642 26.173 290 HZ3 LYS 37 HZ3 LYS 37 -7.610 -35.069 26.799 291 H LYS 38 HN LYS 38 0.371 -35.766 27.800 292 HA LYS 38 HA LYS 38 1.506 -37.382 25.790 293 HB2 LYS 38 HB2 LYS 38 2.707 -35.138 27.434 294 HB3 LYS 38 HB1 LYS 38 3.561 -35.943 26.117 295 HG2 LYS 38 HG2 LYS 38 1.747 -35.346 24.563 296 HG3 LYS 38 HG1 LYS 38 0.881 -34.546 25.876 297 HD2 LYS 38 HD2 LYS 38 2.727 -32.962 26.167 298 HD3 LYS 38 HD1 LYS 38 3.652 -33.784 24.910 299 HE2 LYS 38 HE2 LYS 38 2.554 -31.800 23.976 300 HE3 LYS 38 HE1 LYS 38 1.857 -33.262 23.275 301 HZ1 LYS 38 HZ1 LYS 38 0.089 -33.116 24.975 302 HZ2 LYS 38 HZ2 LYS 38 0.098 -31.800 23.900 303 HZ3 LYS 38 HZ3 LYS 38 0.719 -31.622 25.470 304 H GLU 39 HN GLU 39 2.136 -37.218 29.278 305 HA GLU 39 HA GLU 39 4.443 -38.862 29.259 306 HB2 GLU 39 HB2 GLU 39 2.418 -38.300 31.450 307 HB3 GLU 39 HB1 GLU 39 3.871 -39.264 31.688 308 HG2 GLU 39 HG2 GLU 39 4.538 -37.108 32.348 309 HG3 GLU 39 HG1 GLU 39 5.144 -37.224 30.700 310 H ALA 40 HN ALA 40 0.992 -39.579 29.314 311 HA ALA 40 HA ALA 40 1.185 -42.315 29.992 312 HB1 ALA 40 HB1 ALA 40 -0.907 -40.959 28.261 313 HB2 ALA 40 HB2 ALA 40 -0.967 -41.111 30.019 314 HB3 ALA 40 HB3 ALA 40 -1.053 -42.550 29.005 315 H GLU 41 HN GLU 41 1.920 -40.605 27.084 316 HA GLU 41 HA GLU 41 1.605 -42.695 25.216 317 HB2 GLU 41 HB2 GLU 41 1.962 -40.357 24.510 318 HB3 GLU 41 HB1 GLU 41 3.616 -40.419 25.116 319 HG2 GLU 41 HG2 GLU 41 4.146 -42.231 23.548 320 HG3 GLU 41 HG1 GLU 41 2.479 -42.234 22.971 321 H ARG 42 HN ARG 42 4.260 -41.879 27.412 322 HA ARG 42 HA ARG 42 6.150 -43.691 26.347 323 HB2 ARG 42 HB2 ARG 42 6.782 -41.899 27.934 324 HB3 ARG 42 HB1 ARG 42 5.927 -42.741 29.226 325 HG2 ARG 42 HG2 ARG 42 7.398 -44.707 28.909 326 HG3 ARG 42 HG1 ARG 42 8.260 -43.846 27.632 327 HD2 ARG 42 HD2 ARG 42 8.015 -42.896 30.500 328 HD3 ARG 42 HD1 ARG 42 9.425 -43.711 29.831 329 HE ARG 42 HE ARG 42 8.623 -40.958 29.356 330 HH11 ARG 42 HH11 ARG 42 10.098 -39.728 28.143 331 HH12 ARG 42 HH12 ARG 42 11.377 -40.517 27.285 332 HH21 ARG 42 HH21 ARG 42 10.452 -43.700 28.302 333 HH22 ARG 42 HH22 ARG 42 11.579 -42.767 27.376 334 H LYS 43 HN LYS 43 3.541 -44.089 28.704 335 HA LYS 43 HA LYS 43 4.256 -46.710 29.540 336 HB2 LYS 43 HB2 LYS 43 1.602 -45.250 29.592 337 HB3 LYS 43 HB1 LYS 43 1.880 -46.825 30.335 338 HG2 LYS 43 HG2 LYS 43 3.668 -45.866 31.731 339 HG3 LYS 43 HG1 LYS 43 3.405 -44.287 30.990 340 HD2 LYS 43 HD2 LYS 43 1.074 -44.291 31.823 341 HD3 LYS 43 HD1 LYS 43 1.360 -45.853 32.591 342 HE2 LYS 43 HE2 LYS 43 2.904 -43.314 33.196 343 HE3 LYS 43 HE1 LYS 43 1.607 -43.970 34.195 344 HZ1 LYS 43 HZ1 LYS 43 3.502 -44.820 35.171 345 HZ2 LYS 43 HZ2 LYS 43 4.293 -45.074 33.688 346 HZ3 LYS 43 HZ3 LYS 43 3.021 -46.096 34.163 347 H ALA 44 HN ALA 44 2.685 -45.483 26.715 348 HA ALA 44 HA ALA 44 1.149 -47.731 25.986 349 HB1 ALA 44 HB1 ALA 44 2.532 -45.772 24.126 350 HB2 ALA 44 HB2 ALA 44 0.935 -45.547 24.844 351 HB3 ALA 44 HB3 ALA 44 1.210 -46.859 23.702 352 H LEU 45 HN LEU 45 4.571 -47.167 25.887 353 HA LEU 45 HA LEU 45 5.252 -49.120 23.941 354 HB2 LEU 45 HB2 LEU 45 6.863 -47.972 26.239 355 HB3 LEU 45 HB1 LEU 45 7.524 -49.036 25.003 356 HG LEU 45 HG LEU 45 6.139 -46.404 24.410 357 HD11 LEU 45 HD11 LEU 45 8.234 -46.087 25.696 358 HD12 LEU 45 HD12 LEU 45 8.392 -45.501 24.041 359 HD13 LEU 45 HD13 LEU 45 9.102 -47.049 24.499 360 HD21 LEU 45 HD21 LEU 45 6.028 -47.592 22.403 361 HD22 LEU 45 HD22 LEU 45 7.486 -48.523 22.743 362 HD23 LEU 45 HD23 LEU 45 7.610 -46.841 22.230 363 H GLU 46 HN GLU 46 4.475 -49.287 27.346 364 HA GLU 46 HA GLU 46 5.557 -51.857 27.864 365 HB2 GLU 46 HB2 GLU 46 3.261 -50.389 29.197 366 HB3 GLU 46 HB1 GLU 46 3.987 -51.878 29.802 367 HG2 GLU 46 HG2 GLU 46 5.559 -49.344 29.272 368 HG3 GLU 46 HG1 GLU 46 4.912 -49.782 30.853 369 H ASP 47 HN ASP 47 2.625 -50.774 26.316 370 HA ASP 47 HA ASP 47 0.874 -51.928 25.321 371 HB2 ASP 47 HB2 ASP 47 3.084 -53.987 25.153 372 HB3 ASP 47 HB1 ASP 47 1.518 -54.164 24.364 373 H LYS 48 HN LYS 48 0.933 -51.978 28.187 374 HA LYS 48 HA LYS 48 0.547 -54.574 29.233 375 HB2 LYS 48 HB2 LYS 48 0.956 -52.622 30.689 376 HB3 LYS 48 HB1 LYS 48 -0.629 -51.972 30.273 377 HG2 LYS 48 HG2 LYS 48 -1.710 -53.974 31.207 378 HG3 LYS 48 HG1 LYS 48 -0.130 -54.654 31.596 379 HD2 LYS 48 HD2 LYS 48 0.329 -52.736 33.082 380 HD3 LYS 48 HD1 LYS 48 -1.256 -52.063 32.701 381 HE2 LYS 48 HE2 LYS 48 -2.340 -54.076 33.630 382 HE3 LYS 48 HE1 LYS 48 -0.757 -54.756 34.007 383 HZ1 LYS 48 HZ1 LYS 48 -0.663 -52.285 35.120 384 HZ2 LYS 48 HZ2 LYS 48 -0.986 -53.731 35.953 385 HZ3 LYS 48 HZ3 LYS 48 -2.267 -52.757 35.408 386 H LEU 49 HN LEU 49 -1.682 -52.294 27.689 387 HA LEU 49 HA LEU 49 -3.851 -52.557 26.917 388 HB2 LEU 49 HB2 LEU 49 -3.132 -55.499 26.987 389 HB3 LEU 49 HB1 LEU 49 -4.467 -54.772 26.098 390 HG LEU 49 HG LEU 49 -1.534 -54.131 25.665 391 HD11 LEU 49 HD11 LEU 49 -1.954 -55.310 23.467 392 HD12 LEU 49 HD12 LEU 49 -3.497 -55.852 24.128 393 HD13 LEU 49 HD13 LEU 49 -1.985 -56.367 24.879 394 HD21 LEU 49 HD21 LEU 49 -4.109 -53.096 24.485 395 HD22 LEU 49 HD22 LEU 49 -2.660 -53.153 23.483 396 HD23 LEU 49 HD23 LEU 49 -2.667 -52.201 24.963 397 H ALA 50 HN ALA 50 -3.483 -52.359 29.756 398 HA ALA 50 HA ALA 50 -4.959 -54.291 31.192 399 HB1 ALA 50 HB1 ALA 50 -4.707 -51.345 31.876 400 HB2 ALA 50 HB2 ALA 50 -3.505 -52.571 32.273 401 HB3 ALA 50 HB3 ALA 50 -5.117 -52.657 32.976 402 H ASP 51 HN ASP 51 -5.956 -51.587 29.211 403 HA ASP 51 HA ASP 51 -8.588 -51.299 30.175 404 HB2 ASP 51 HB2 ASP 51 -7.393 -50.717 27.455 405 HB3 ASP 51 HB1 ASP 51 -9.067 -50.359 27.869 406 H TYR 52 HN TYR 52 -7.190 -53.540 27.812 407 HA TYR 52 HA TYR 52 -9.488 -55.279 28.102 408 HB2 TYR 52 HB2 TYR 52 -8.831 -54.060 25.408 409 HB3 TYR 52 HB1 TYR 52 -9.979 -55.371 25.684 410 HD1 TYR 52 HD1 TYR 52 -9.352 -51.777 26.020 411 HD2 TYR 52 HD2 TYR 52 -12.076 -54.972 26.932 412 HE1 TYR 52 HE1 TYR 52 -11.118 -50.119 26.558 413 HE2 TYR 52 HE2 TYR 52 -13.842 -53.315 27.469 414 HH TYR 52 HH TYR 52 -14.167 -50.631 26.593 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 -23.477 17.700 13.634 2 H2 GLY 1 HT2 GLY 1 -24.538 18.115 12.374 3 H3 GLY 1 HT3 GLY 1 -22.903 18.568 12.295 4 HA2 GLY 1 HA2 GLY 1 -24.059 15.853 12.049 5 HA3 GLY 1 HA1 GLY 1 -23.100 16.735 10.861 6 H SER 2 HN SER 2 -22.085 14.391 11.264 7 HA SER 2 HA SER 2 -20.084 13.362 11.760 8 HB2 SER 2 HB2 SER 2 -18.262 14.648 12.381 9 HB3 SER 2 HB1 SER 2 -19.338 15.918 11.806 10 HG SER 2 HG SER 2 -20.005 15.480 14.294 11 H VAL 3 HN VAL 3 -22.343 14.469 13.996 12 HA VAL 3 HA VAL 3 -21.244 13.508 16.421 13 HB VAL 3 HB VAL 3 -24.124 13.961 15.582 14 HG11 VAL 3 HG11 VAL 3 -24.237 12.274 17.280 15 HG12 VAL 3 HG12 VAL 3 -24.539 13.809 18.095 16 HG13 VAL 3 HG13 VAL 3 -22.955 13.041 18.218 17 HG21 VAL 3 HG21 VAL 3 -23.861 15.833 17.261 18 HG22 VAL 3 HG22 VAL 3 -22.861 16.014 15.822 19 HG23 VAL 3 HG23 VAL 3 -22.142 15.452 17.331 20 H GLU 4 HN GLU 4 -23.185 11.933 13.903 21 HA GLU 4 HA GLU 4 -23.603 9.509 15.295 22 HB2 GLU 4 HB2 GLU 4 -24.905 10.091 13.286 23 HB3 GLU 4 HB1 GLU 4 -23.461 9.926 12.288 24 HG2 GLU 4 HG2 GLU 4 -23.263 7.566 12.929 25 HG3 GLU 4 HG1 GLU 4 -24.665 7.723 13.986 26 H LYS 5 HN LYS 5 -20.933 10.630 13.246 27 HA LYS 5 HA LYS 5 -19.585 8.161 13.027 28 HB2 LYS 5 HB2 LYS 5 -18.550 11.006 12.980 29 HB3 LYS 5 HB1 LYS 5 -17.547 9.596 12.641 30 HG2 LYS 5 HG2 LYS 5 -19.062 8.944 10.809 31 HG3 LYS 5 HG1 LYS 5 -20.074 10.351 11.142 32 HD2 LYS 5 HD2 LYS 5 -18.154 11.837 10.666 33 HD3 LYS 5 HD1 LYS 5 -17.159 10.426 10.307 34 HE2 LYS 5 HE2 LYS 5 -19.710 11.164 8.843 35 HE3 LYS 5 HE1 LYS 5 -18.078 11.460 8.242 36 HZ1 LYS 5 HZ1 LYS 5 -19.588 9.125 8.031 37 HZ2 LYS 5 HZ2 LYS 5 -18.274 8.781 9.053 38 HZ3 LYS 5 HZ3 LYS 5 -18.003 9.395 7.492 39 H LEU 6 HN LEU 6 -19.482 10.705 15.477 40 HA LEU 6 HA LEU 6 -17.321 9.657 16.961 41 HB2 LEU 6 HB2 LEU 6 -18.087 11.957 17.311 42 HB3 LEU 6 HB1 LEU 6 -19.627 11.382 17.938 43 HG LEU 6 HG LEU 6 -18.443 10.252 19.798 44 HD11 LEU 6 HD11 LEU 6 -16.295 9.705 19.037 45 HD12 LEU 6 HD12 LEU 6 -15.961 11.099 20.060 46 HD13 LEU 6 HD13 LEU 6 -16.036 11.290 18.309 47 HD21 LEU 6 HD21 LEU 6 -17.912 13.197 19.347 48 HD22 LEU 6 HD22 LEU 6 -17.585 12.399 20.883 49 HD23 LEU 6 HD23 LEU 6 -19.232 12.464 20.259 50 H THR 7 HN THR 7 -20.804 9.002 17.085 51 HA THR 7 HA THR 7 -20.701 7.361 19.427 52 HB THR 7 HB THR 7 -22.900 6.545 18.638 53 HG1 THR 7 HG1 THR 7 -23.555 6.949 16.691 54 HG21 THR 7 HG21 THR 7 -24.046 8.517 19.189 55 HG22 THR 7 HG22 THR 7 -22.882 9.542 18.355 56 HG23 THR 7 HG23 THR 7 -22.457 8.798 19.895 57 H ALA 8 HN ALA 8 -20.278 6.800 15.988 58 HA ALA 8 HA ALA 8 -20.580 4.000 15.937 59 HB1 ALA 8 HB1 ALA 8 -19.250 4.051 13.868 60 HB2 ALA 8 HB2 ALA 8 -18.764 5.710 14.211 61 HB3 ALA 8 HB3 ALA 8 -20.456 5.338 13.873 62 H ASP 9 HN ASP 9 -18.162 5.968 17.289 63 HA ASP 9 HA ASP 9 -15.915 4.269 17.113 64 HB2 ASP 9 HB2 ASP 9 -16.650 6.370 19.168 65 HB3 ASP 9 HB1 ASP 9 -15.126 5.488 19.190 66 H ALA 10 HN ALA 10 -18.631 4.341 19.381 67 HA ALA 10 HA ALA 10 -17.558 2.509 21.257 68 HB1 ALA 10 HB1 ALA 10 -19.870 2.195 22.021 69 HB2 ALA 10 HB2 ALA 10 -20.473 3.024 20.589 70 HB3 ALA 10 HB3 ALA 10 -19.518 3.905 21.784 71 H GLU 11 HN GLU 11 -18.971 2.085 18.116 72 HA GLU 11 HA GLU 11 -19.805 -0.598 18.360 73 HB2 GLU 11 HB2 GLU 11 -20.424 0.872 16.440 74 HB3 GLU 11 HB1 GLU 11 -18.776 0.741 15.834 75 HG2 GLU 11 HG2 GLU 11 -20.429 -1.717 16.428 76 HG3 GLU 11 HG1 GLU 11 -20.545 -0.886 14.882 77 H LEU 12 HN LEU 12 -16.634 0.815 17.651 78 HA LEU 12 HA LEU 12 -15.360 -1.580 16.873 79 HB2 LEU 12 HB2 LEU 12 -14.263 0.979 18.064 80 HB3 LEU 12 HB1 LEU 12 -13.235 -0.383 17.629 81 HG LEU 12 HG LEU 12 -14.161 -0.303 15.315 82 HD11 LEU 12 HD11 LEU 12 -15.679 2.018 16.507 83 HD12 LEU 12 HD12 LEU 12 -16.282 0.701 15.503 84 HD13 LEU 12 HD13 LEU 12 -15.309 1.980 14.783 85 HD21 LEU 12 HD21 LEU 12 -12.067 0.810 15.693 86 HD22 LEU 12 HD22 LEU 12 -12.864 2.185 16.456 87 HD23 LEU 12 HD23 LEU 12 -13.049 1.910 14.725 88 H GLN 13 HN GLN 13 -15.976 -0.158 20.055 89 HA GLN 13 HA GLN 13 -14.320 -1.931 21.522 90 HB2 GLN 13 HB2 GLN 13 -16.740 -0.313 22.365 91 HB3 GLN 13 HB1 GLN 13 -15.806 -1.309 23.478 92 HG2 GLN 13 HG2 GLN 13 -13.802 -0.040 23.054 93 HG3 GLN 13 HG1 GLN 13 -14.573 0.846 21.742 94 HE21 GLN 13 HE21 GLN 13 -13.407 1.951 24.273 95 HE22 GLN 13 HE22 GLN 13 -14.680 2.779 25.034 96 H ARG 14 HN ARG 14 -17.663 -2.169 20.392 97 HA ARG 14 HA ARG 14 -18.374 -4.459 21.882 98 HB2 ARG 14 HB2 ARG 14 -19.423 -3.414 19.238 99 HB3 ARG 14 HB1 ARG 14 -20.110 -4.799 20.083 100 HG2 ARG 14 HG2 ARG 14 -20.565 -3.421 22.048 101 HG3 ARG 14 HG1 ARG 14 -19.800 -2.030 21.275 102 HD2 ARG 14 HD2 ARG 14 -22.232 -1.876 21.038 103 HD3 ARG 14 HD1 ARG 14 -21.488 -2.131 19.462 104 HE ARG 14 HE ARG 14 -22.500 -4.231 19.367 105 HH11 ARG 14 HH11 ARG 14 -23.944 -5.801 20.146 106 HH12 ARG 14 HH12 ARG 14 -24.502 -5.721 21.784 107 HH21 ARG 14 HH21 ARG 14 -22.693 -2.862 22.541 108 HH22 ARG 14 HH22 ARG 14 -23.793 -4.057 23.140 109 H LEU 15 HN LEU 15 -16.680 -4.080 18.800 110 HA LEU 15 HA LEU 15 -16.771 -6.818 18.049 111 HB2 LEU 15 HB2 LEU 15 -14.815 -4.627 17.298 112 HB3 LEU 15 HB1 LEU 15 -14.849 -6.224 16.558 113 HG LEU 15 HG LEU 15 -17.213 -4.323 16.614 114 HD11 LEU 15 HD11 LEU 15 -15.231 -4.922 14.395 115 HD12 LEU 15 HD12 LEU 15 -15.372 -3.399 15.274 116 HD13 LEU 15 HD13 LEU 15 -16.684 -3.936 14.225 117 HD21 LEU 15 HD21 LEU 15 -18.164 -6.425 16.256 118 HD22 LEU 15 HD22 LEU 15 -16.721 -7.071 15.475 119 HD23 LEU 15 HD23 LEU 15 -17.785 -5.972 14.597 120 H LYS 16 HN LYS 16 -14.755 -5.006 20.247 121 HA LYS 16 HA LYS 16 -12.588 -6.838 20.394 122 HB2 LYS 16 HB2 LYS 16 -13.616 -4.909 22.495 123 HB3 LYS 16 HB1 LYS 16 -12.045 -5.702 22.513 124 HG2 LYS 16 HG2 LYS 16 -12.961 -3.888 20.265 125 HG3 LYS 16 HG1 LYS 16 -12.032 -3.319 21.648 126 HD2 LYS 16 HD2 LYS 16 -10.271 -5.046 21.057 127 HD3 LYS 16 HD1 LYS 16 -11.161 -5.340 19.563 128 HE2 LYS 16 HE2 LYS 16 -10.947 -2.970 18.947 129 HE3 LYS 16 HE1 LYS 16 -10.053 -2.663 20.435 130 HZ1 LYS 16 HZ1 LYS 16 -8.345 -3.029 18.996 131 HZ2 LYS 16 HZ2 LYS 16 -9.224 -4.116 18.031 132 HZ3 LYS 16 HZ3 LYS 16 -8.595 -4.618 19.527 133 H ASN 17 HN ASN 17 -15.792 -6.872 21.693 134 HA ASN 17 HA ASN 17 -15.366 -8.558 23.916 135 HB2 ASN 17 HB2 ASN 17 -17.818 -8.137 22.188 136 HB3 ASN 17 HB1 ASN 17 -17.804 -9.182 23.603 137 HD21 ASN 17 HD21 ASN 17 -19.403 -6.773 23.432 138 HD22 ASN 17 HD22 ASN 17 -18.818 -5.691 24.602 139 H GLU 18 HN GLU 18 -15.821 -9.266 20.481 140 HA GLU 18 HA GLU 18 -16.195 -12.052 20.747 141 HB2 GLU 18 HB2 GLU 18 -16.685 -10.869 18.639 142 HB3 GLU 18 HB1 GLU 18 -14.965 -10.562 18.401 143 HG2 GLU 18 HG2 GLU 18 -14.522 -12.975 18.333 144 HG3 GLU 18 HG1 GLU 18 -16.225 -13.309 18.640 145 H ALA 19 HN ALA 19 -13.265 -10.069 20.573 146 HA ALA 19 HA ALA 19 -11.422 -12.188 20.257 147 HB1 ALA 19 HB1 ALA 19 -10.759 -9.846 19.916 148 HB2 ALA 19 HB2 ALA 19 -9.727 -10.622 21.116 149 HB3 ALA 19 HB3 ALA 19 -10.998 -9.517 21.635 150 H ALA 20 HN ALA 20 -13.218 -11.062 23.011 151 HA ALA 20 HA ALA 20 -11.573 -12.093 25.069 152 HB1 ALA 20 HB1 ALA 20 -13.547 -12.000 26.499 153 HB2 ALA 20 HB2 ALA 20 -14.597 -11.830 25.095 154 HB3 ALA 20 HB3 ALA 20 -13.462 -10.545 25.509 155 H GLU 21 HN GLU 21 -13.729 -13.625 22.820 156 HA GLU 21 HA GLU 21 -14.230 -16.012 24.248 157 HB2 GLU 21 HB2 GLU 21 -15.514 -15.410 22.230 158 HB3 GLU 21 HB1 GLU 21 -14.080 -15.651 21.234 159 HG2 GLU 21 HG2 GLU 21 -13.975 -18.004 21.914 160 HG3 GLU 21 HG1 GLU 21 -15.364 -17.775 22.973 161 H GLU 22 HN GLU 22 -11.525 -15.016 22.186 162 HA GLU 22 HA GLU 22 -10.276 -17.541 22.014 163 HB2 GLU 22 HB2 GLU 22 -9.131 -14.740 21.829 164 HB3 GLU 22 HB1 GLU 22 -8.177 -16.200 21.566 165 HG2 GLU 22 HG2 GLU 22 -9.611 -16.881 19.738 166 HG3 GLU 22 HG1 GLU 22 -10.725 -15.554 20.060 167 H ALA 23 HN ALA 23 -10.167 -15.014 24.484 168 HA ALA 23 HA ALA 23 -7.969 -16.019 25.946 169 HB1 ALA 23 HB1 ALA 23 -8.866 -14.735 27.854 170 HB2 ALA 23 HB2 ALA 23 -10.370 -14.472 26.976 171 HB3 ALA 23 HB3 ALA 23 -8.865 -13.774 26.377 172 H GLU 24 HN GLU 24 -11.284 -17.053 25.720 173 HA GLU 24 HA GLU 24 -11.445 -18.509 28.137 174 HB2 GLU 24 HB2 GLU 24 -13.446 -17.999 26.785 175 HB3 GLU 24 HB1 GLU 24 -12.882 -19.091 25.521 176 HG2 GLU 24 HG2 GLU 24 -12.953 -20.977 27.090 177 HG3 GLU 24 HG1 GLU 24 -13.453 -19.894 28.387 178 H LEU 25 HN LEU 25 -10.160 -19.360 24.945 179 HA LEU 25 HA LEU 25 -9.774 -22.119 25.491 180 HB2 LEU 25 HB2 LEU 25 -8.381 -20.280 23.523 181 HB3 LEU 25 HB1 LEU 25 -8.160 -22.025 23.577 182 HG LEU 25 HG LEU 25 -10.846 -20.663 23.215 183 HD11 LEU 25 HD11 LEU 25 -9.312 -20.233 21.316 184 HD12 LEU 25 HD12 LEU 25 -10.647 -21.286 20.850 185 HD13 LEU 25 HD13 LEU 25 -9.049 -21.969 21.149 186 HD21 LEU 25 HD21 LEU 25 -11.256 -23.115 22.254 187 HD22 LEU 25 HD22 LEU 25 -11.376 -22.805 23.981 188 HD23 LEU 25 HD23 LEU 25 -9.911 -23.527 23.316 189 H GLU 26 HN GLU 26 -7.945 -19.243 26.250 190 HA GLU 26 HA GLU 26 -5.455 -20.463 26.776 191 HB2 GLU 26 HB2 GLU 26 -5.677 -18.018 26.570 192 HB3 GLU 26 HB1 GLU 26 -6.621 -17.961 28.055 193 HG2 GLU 26 HG2 GLU 26 -4.298 -17.381 28.528 194 HG3 GLU 26 HG1 GLU 26 -4.681 -18.918 29.293 195 H ARG 27 HN ARG 27 -8.345 -20.045 28.784 196 HA ARG 27 HA ARG 27 -7.193 -20.859 31.226 197 HB2 ARG 27 HB2 ARG 27 -9.401 -19.784 31.147 198 HB3 ARG 27 HB1 ARG 27 -10.077 -21.192 30.327 199 HG2 ARG 27 HG2 ARG 27 -9.587 -22.606 32.241 200 HG3 ARG 27 HG1 ARG 27 -8.748 -21.280 33.049 201 HD2 ARG 27 HD2 ARG 27 -11.669 -21.200 32.249 202 HD3 ARG 27 HD1 ARG 27 -11.101 -21.625 33.859 203 HE ARG 27 HE ARG 27 -9.945 -19.164 33.197 204 HH11 ARG 27 HH11 ARG 27 -10.882 -17.237 33.951 205 HH12 ARG 27 HH12 ARG 27 -12.550 -17.215 34.417 206 HH21 ARG 27 HH21 ARG 27 -13.068 -20.569 33.699 207 HH22 ARG 27 HH22 ARG 27 -13.788 -19.101 34.274 208 H LEU 28 HN LEU 28 -8.570 -22.725 28.543 209 HA LEU 28 HA LEU 28 -8.572 -25.230 29.855 210 HB2 LEU 28 HB2 LEU 28 -8.390 -24.542 26.907 211 HB3 LEU 28 HB1 LEU 28 -8.547 -26.184 27.519 212 HG LEU 28 HG LEU 28 -10.491 -23.948 28.166 213 HD11 LEU 28 HD11 LEU 28 -10.471 -24.485 25.747 214 HD12 LEU 28 HD12 LEU 28 -11.978 -24.984 26.512 215 HD13 LEU 28 HD13 LEU 28 -10.743 -26.184 26.132 216 HD21 LEU 28 HD21 LEU 28 -11.916 -26.165 28.584 217 HD22 LEU 28 HD22 LEU 28 -10.851 -25.539 29.835 218 HD23 LEU 28 HD23 LEU 28 -10.324 -26.884 28.824 219 H LYS 29 HN LYS 29 -6.056 -23.463 28.109 220 HA LYS 29 HA LYS 29 -4.208 -25.582 27.912 221 HB2 LYS 29 HB2 LYS 29 -3.796 -22.578 28.007 222 HB3 LYS 29 HB1 LYS 29 -2.481 -23.722 27.772 223 HG2 LYS 29 HG2 LYS 29 -4.921 -23.925 26.018 224 HG3 LYS 29 HG1 LYS 29 -3.731 -22.674 25.679 225 HD2 LYS 29 HD2 LYS 29 -2.837 -25.530 26.068 226 HD3 LYS 29 HD1 LYS 29 -3.488 -25.012 24.517 227 HE2 LYS 29 HE2 LYS 29 -1.791 -23.169 24.475 228 HE3 LYS 29 HE1 LYS 29 -1.091 -23.824 25.953 229 HZ1 LYS 29 HZ1 LYS 29 -0.155 -25.516 24.862 230 HZ2 LYS 29 HZ2 LYS 29 -0.360 -24.548 23.482 231 HZ3 LYS 29 HZ3 LYS 29 -1.493 -25.759 23.849 232 H SER 30 HN SER 30 -4.901 -23.301 30.526 233 HA SER 30 HA SER 30 -2.650 -23.896 32.118 234 HB2 SER 30 HB2 SER 30 -4.039 -21.948 32.612 235 HB3 SER 30 HB1 SER 30 -5.407 -22.981 33.012 236 HG SER 30 HG SER 30 -4.108 -23.881 34.677 237 H GLU 31 HN GLU 31 -5.822 -25.470 31.861 238 HA GLU 31 HA GLU 31 -5.487 -27.218 34.058 239 HB2 GLU 31 HB2 GLU 31 -7.183 -27.499 31.557 240 HB3 GLU 31 HB1 GLU 31 -7.249 -28.603 32.930 241 HG2 GLU 31 HG2 GLU 31 -7.656 -25.615 33.181 242 HG3 GLU 31 HG1 GLU 31 -8.978 -26.763 32.982 243 H ARG 32 HN ARG 32 -4.471 -27.409 30.682 244 HA ARG 32 HA ARG 32 -3.518 -30.152 30.984 245 HB2 ARG 32 HB2 ARG 32 -4.483 -29.290 28.825 246 HB3 ARG 32 HB1 ARG 32 -3.077 -28.236 28.677 247 HG2 ARG 32 HG2 ARG 32 -1.611 -30.268 28.813 248 HG3 ARG 32 HG1 ARG 32 -3.066 -31.264 28.783 249 HD2 ARG 32 HD2 ARG 32 -2.278 -29.267 26.644 250 HD3 ARG 32 HD1 ARG 32 -2.073 -31.011 26.522 251 HE ARG 32 HE ARG 32 -4.582 -29.533 26.327 252 HH11 ARG 32 HH11 ARG 32 -6.363 -30.773 25.664 253 HH12 ARG 32 HH12 ARG 32 -6.244 -32.501 25.623 254 HH21 ARG 32 HH21 ARG 32 -2.961 -32.565 26.735 255 HH22 ARG 32 HH22 ARG 32 -4.319 -33.514 26.227 256 H HIS 33 HN HIS 33 -1.599 -30.620 31.840 257 HA HIS 33 HA HIS 33 0.464 -28.510 32.023 258 HB2 HIS 33 HB2 HIS 33 0.224 -31.162 33.468 259 HB3 HIS 33 HB1 HIS 33 1.484 -29.956 33.732 260 HD2 HIS 33 HD2 HIS 33 -2.006 -30.754 35.053 261 HE1 HIS 33 HE1 HIS 33 -1.292 -26.716 36.055 262 HE2 HIS 33 HE2 HIS 33 -2.821 -28.705 36.450 263 H ASP 34 HN ASP 34 -0.348 -31.119 30.097 264 HA ASP 34 HA ASP 34 2.252 -31.127 28.841 265 HB2 ASP 34 HB2 ASP 34 2.719 -33.508 29.164 266 HB3 ASP 34 HB1 ASP 34 2.582 -32.711 30.727 267 H HIS 35 HN HIS 35 2.219 -32.118 26.758 268 HA HIS 35 HA HIS 35 -0.505 -32.534 25.684 269 HB2 HIS 35 HB2 HIS 35 2.110 -31.872 24.300 270 HB3 HIS 35 HB1 HIS 35 0.571 -32.136 23.479 271 HD2 HIS 35 HD2 HIS 35 -1.208 -29.965 23.583 272 HE1 HIS 35 HE1 HIS 35 1.172 -27.475 26.023 273 HE2 HIS 35 HE2 HIS 35 -0.936 -27.581 24.610 274 H ASP 36 HN ASP 36 1.582 -34.438 27.064 275 HA ASP 36 HA ASP 36 2.062 -36.418 25.008 276 HB2 ASP 36 HB2 ASP 36 3.091 -37.713 26.777 277 HB3 ASP 36 HB1 ASP 36 3.636 -36.042 26.895 278 H LYS 37 HN LYS 37 -0.688 -35.539 26.550 279 HA LYS 37 HA LYS 37 -1.749 -37.982 27.485 280 HB2 LYS 37 HB2 LYS 37 -3.138 -35.498 26.443 281 HB3 LYS 37 HB1 LYS 37 -3.999 -36.893 27.092 282 HG2 LYS 37 HG2 LYS 37 -2.749 -36.676 29.213 283 HG3 LYS 37 HG1 LYS 37 -1.911 -35.262 28.567 284 HD2 LYS 37 HD2 LYS 37 -4.035 -34.073 28.328 285 HD3 LYS 37 HD1 LYS 37 -4.919 -35.494 28.882 286 HE2 LYS 37 HE2 LYS 37 -4.657 -33.919 30.736 287 HE3 LYS 37 HE1 LYS 37 -3.701 -35.368 31.050 288 HZ1 LYS 37 HZ1 LYS 37 -2.737 -32.885 31.193 289 HZ2 LYS 37 HZ2 LYS 37 -2.337 -33.273 29.588 290 HZ3 LYS 37 HZ3 LYS 37 -1.783 -34.249 30.866 291 H LYS 38 HN LYS 38 -1.641 -36.543 24.252 292 HA LYS 38 HA LYS 38 -3.425 -38.341 23.008 293 HB2 LYS 38 HB2 LYS 38 -1.124 -36.728 21.874 294 HB3 LYS 38 HB1 LYS 38 -2.213 -37.699 20.887 295 HG2 LYS 38 HG2 LYS 38 -4.141 -36.432 21.747 296 HG3 LYS 38 HG1 LYS 38 -3.060 -35.461 22.745 297 HD2 LYS 38 HD2 LYS 38 -1.915 -34.628 20.744 298 HD3 LYS 38 HD1 LYS 38 -2.939 -35.638 19.721 299 HE2 LYS 38 HE2 LYS 38 -3.807 -33.346 19.760 300 HE3 LYS 38 HE1 LYS 38 -4.939 -34.432 20.567 301 HZ1 LYS 38 HZ1 LYS 38 -4.509 -32.357 21.803 302 HZ2 LYS 38 HZ2 LYS 38 -2.883 -32.817 21.970 303 HZ3 LYS 38 HZ3 LYS 38 -4.110 -33.748 22.685 304 H GLU 39 HN GLU 39 0.035 -38.563 23.719 305 HA GLU 39 HA GLU 39 0.543 -40.874 22.156 306 HB2 GLU 39 HB2 GLU 39 1.954 -39.825 24.627 307 HB3 GLU 39 HB1 GLU 39 2.549 -41.140 23.614 308 HG2 GLU 39 HG2 GLU 39 1.911 -38.373 22.561 309 HG3 GLU 39 HG1 GLU 39 3.525 -38.886 23.052 310 H ALA 40 HN ALA 40 -0.884 -40.392 25.302 311 HA ALA 40 HA ALA 40 -0.536 -43.006 26.330 312 HB1 ALA 40 HB1 ALA 40 -2.390 -42.480 27.852 313 HB2 ALA 40 HB2 ALA 40 -2.800 -41.063 26.890 314 HB3 ALA 40 HB3 ALA 40 -1.263 -41.129 27.757 315 H GLU 41 HN GLU 41 -2.626 -41.727 23.899 316 HA GLU 41 HA GLU 41 -4.697 -43.641 24.004 317 HB2 GLU 41 HB2 GLU 41 -4.896 -41.570 22.675 318 HB3 GLU 41 HB1 GLU 41 -3.669 -42.162 21.555 319 HG2 GLU 41 HG2 GLU 41 -5.083 -44.084 20.987 320 HG3 GLU 41 HG1 GLU 41 -6.298 -43.550 22.148 321 H ARG 42 HN ARG 42 -1.508 -43.702 22.469 322 HA ARG 42 HA ARG 42 -1.895 -46.037 20.935 323 HB2 ARG 42 HB2 ARG 42 0.034 -44.570 20.562 324 HB3 ARG 42 HB1 ARG 42 0.696 -45.002 22.138 325 HG2 ARG 42 HG2 ARG 42 0.909 -47.330 21.463 326 HG3 ARG 42 HG1 ARG 42 0.107 -46.990 19.928 327 HD2 ARG 42 HD2 ARG 42 2.529 -47.060 19.593 328 HD3 ARG 42 HD1 ARG 42 1.939 -45.418 19.343 329 HE ARG 42 HE ARG 42 2.751 -45.800 22.052 330 HH11 ARG 42 HH11 ARG 42 4.704 -44.834 22.696 331 HH12 ARG 42 HH12 ARG 42 5.850 -44.332 21.500 332 HH21 ARG 42 HH21 ARG 42 3.913 -45.374 18.821 333 HH22 ARG 42 HH22 ARG 42 5.403 -44.637 19.305 334 H LYS 43 HN LYS 43 -0.930 -45.569 24.313 335 HA LYS 43 HA LYS 43 -0.205 -48.242 24.855 336 HB2 LYS 43 HB2 LYS 43 0.432 -46.399 26.348 337 HB3 LYS 43 HB1 LYS 43 -1.254 -46.159 26.798 338 HG2 LYS 43 HG2 LYS 43 -1.351 -48.437 27.719 339 HG3 LYS 43 HG1 LYS 43 0.319 -48.715 27.226 340 HD2 LYS 43 HD2 LYS 43 1.052 -46.859 28.686 341 HD3 LYS 43 HD1 LYS 43 -0.619 -46.607 29.193 342 HE2 LYS 43 HE2 LYS 43 0.926 -49.191 29.560 343 HE3 LYS 43 HE1 LYS 43 0.660 -47.988 30.823 344 HZ1 LYS 43 HZ1 LYS 43 -1.153 -49.947 29.735 345 HZ2 LYS 43 HZ2 LYS 43 -1.825 -48.393 29.875 346 HZ3 LYS 43 HZ3 LYS 43 -1.175 -49.166 31.240 347 H ALA 44 HN ALA 44 -3.354 -46.616 24.965 348 HA ALA 44 HA ALA 44 -4.772 -48.606 26.353 349 HB1 ALA 44 HB1 ALA 44 -5.749 -46.400 25.924 350 HB2 ALA 44 HB2 ALA 44 -6.799 -47.671 25.303 351 HB3 ALA 44 HB3 ALA 44 -5.796 -46.740 24.192 352 H LEU 45 HN LEU 45 -3.550 -48.576 23.128 353 HA LEU 45 HA LEU 45 -5.326 -50.614 22.112 354 HB2 LEU 45 HB2 LEU 45 -2.684 -49.597 21.028 355 HB3 LEU 45 HB1 LEU 45 -3.821 -50.631 20.164 356 HG LEU 45 HG LEU 45 -4.447 -47.849 21.203 357 HD11 LEU 45 HD11 LEU 45 -4.102 -48.755 18.334 358 HD12 LEU 45 HD12 LEU 45 -2.801 -48.021 19.271 359 HD13 LEU 45 HD13 LEU 45 -4.268 -47.103 18.930 360 HD21 LEU 45 HD21 LEU 45 -6.048 -49.980 19.790 361 HD22 LEU 45 HD22 LEU 45 -6.409 -48.283 19.473 362 HD23 LEU 45 HD23 LEU 45 -6.530 -48.916 21.111 363 H GLU 46 HN GLU 46 -2.634 -50.578 24.147 364 HA GLU 46 HA GLU 46 -1.335 -52.972 23.400 365 HB2 GLU 46 HB2 GLU 46 -0.297 -51.358 24.945 366 HB3 GLU 46 HB1 GLU 46 -1.502 -51.741 26.174 367 HG2 GLU 46 HG2 GLU 46 -0.747 -54.076 26.217 368 HG3 GLU 46 HG1 GLU 46 0.418 -53.735 24.940 369 H ASP 47 HN ASP 47 -4.143 -52.367 25.485 370 HA ASP 47 HA ASP 47 -4.335 -55.173 26.232 371 HB2 ASP 47 HB2 ASP 47 -6.269 -54.489 27.522 372 HB3 ASP 47 HB1 ASP 47 -4.957 -53.349 27.809 373 H LYS 48 HN LYS 48 -4.916 -53.638 23.446 374 HA LYS 48 HA LYS 48 -7.559 -54.343 22.762 375 HB2 LYS 48 HB2 LYS 48 -6.259 -52.751 21.409 376 HB3 LYS 48 HB1 LYS 48 -5.176 -54.045 20.900 377 HG2 LYS 48 HG2 LYS 48 -7.063 -55.229 19.849 378 HG3 LYS 48 HG1 LYS 48 -8.164 -53.963 20.393 379 HD2 LYS 48 HD2 LYS 48 -6.899 -52.301 19.070 380 HD3 LYS 48 HD1 LYS 48 -5.817 -53.578 18.513 381 HE2 LYS 48 HE2 LYS 48 -8.814 -53.530 18.058 382 HE3 LYS 48 HE1 LYS 48 -7.606 -53.079 16.856 383 HZ1 LYS 48 HZ1 LYS 48 -6.715 -55.475 17.663 384 HZ2 LYS 48 HZ2 LYS 48 -7.708 -55.230 16.307 385 HZ3 LYS 48 HZ3 LYS 48 -8.391 -55.698 17.790 386 H LEU 49 HN LEU 49 -4.522 -56.176 22.576 387 HA LEU 49 HA LEU 49 -5.827 -58.439 21.294 388 HB2 LEU 49 HB2 LEU 49 -3.049 -58.178 22.481 389 HB3 LEU 49 HB1 LEU 49 -3.628 -59.522 21.500 390 HG LEU 49 HG LEU 49 -3.479 -56.636 20.576 391 HD11 LEU 49 HD11 LEU 49 -1.248 -57.577 20.849 392 HD12 LEU 49 HD12 LEU 49 -1.632 -57.500 19.128 393 HD13 LEU 49 HD13 LEU 49 -1.724 -59.039 19.983 394 HD21 LEU 49 HD21 LEU 49 -5.165 -57.579 19.252 395 HD22 LEU 49 HD22 LEU 49 -4.465 -59.198 19.327 396 HD23 LEU 49 HD23 LEU 49 -3.736 -57.965 18.298 397 H ALA 50 HN ALA 50 -5.546 -57.249 24.435 398 HA ALA 50 HA ALA 50 -5.270 -59.641 25.924 399 HB1 ALA 50 HB1 ALA 50 -5.036 -57.367 26.924 400 HB2 ALA 50 HB2 ALA 50 -6.140 -58.408 27.821 401 HB3 ALA 50 HB3 ALA 50 -6.781 -57.151 26.766 402 H ASP 51 HN ASP 51 -7.959 -58.252 24.211 403 HA ASP 51 HA ASP 51 -9.939 -59.916 25.543 404 HB2 ASP 51 HB2 ASP 51 -11.528 -58.878 24.033 405 HB3 ASP 51 HB1 ASP 51 -10.485 -57.634 24.715 406 H TYR 52 HN TYR 52 -7.564 -60.606 23.432 407 HA TYR 52 HA TYR 52 -8.739 -63.071 22.603 408 HB2 TYR 52 HB2 TYR 52 -9.887 -61.675 20.975 409 HB3 TYR 52 HB1 TYR 52 -8.360 -60.937 20.489 410 HD1 TYR 52 HD1 TYR 52 -10.183 -64.187 20.659 411 HD2 TYR 52 HD2 TYR 52 -6.960 -61.975 18.877 412 HE1 TYR 52 HE1 TYR 52 -9.808 -66.032 19.044 413 HE2 TYR 52 HE2 TYR 52 -6.585 -63.821 17.263 414 HH TYR 52 HH TYR 52 -8.440 -65.862 16.344 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 -38.048 4.486 15.827 2 H2 GLY 1 HT2 GLY 1 -37.187 4.065 14.424 3 H3 GLY 1 HT3 GLY 1 -38.653 4.913 14.301 4 HA2 GLY 1 HA2 GLY 1 -37.420 6.748 14.171 5 HA3 GLY 1 HA1 GLY 1 -37.191 6.527 15.905 6 H SER 2 HN SER 2 -35.231 7.782 14.450 7 HA SER 2 HA SER 2 -33.208 6.099 13.417 8 HB2 SER 2 HB2 SER 2 -31.744 8.035 13.650 9 HB3 SER 2 HB1 SER 2 -33.311 8.544 13.029 10 HG SER 2 HG SER 2 -33.023 8.479 15.789 11 H VAL 3 HN VAL 3 -34.174 6.878 16.645 12 HA VAL 3 HA VAL 3 -31.742 6.322 17.985 13 HB VAL 3 HB VAL 3 -34.619 6.196 18.946 14 HG11 VAL 3 HG11 VAL 3 -33.510 6.175 21.242 15 HG12 VAL 3 HG12 VAL 3 -32.021 5.708 20.419 16 HG13 VAL 3 HG13 VAL 3 -33.435 4.657 20.348 17 HG21 VAL 3 HG21 VAL 3 -32.323 8.147 19.304 18 HG22 VAL 3 HG22 VAL 3 -33.812 8.213 20.243 19 HG23 VAL 3 HG23 VAL 3 -33.861 8.452 18.499 20 H GLU 4 HN GLU 4 -34.424 4.236 16.957 21 HA GLU 4 HA GLU 4 -33.532 1.896 18.260 22 HB2 GLU 4 HB2 GLU 4 -35.253 2.262 15.793 23 HB3 GLU 4 HB1 GLU 4 -34.911 0.691 16.515 24 HG2 GLU 4 HG2 GLU 4 -35.912 1.364 18.610 25 HG3 GLU 4 HG1 GLU 4 -36.101 3.021 18.038 26 H LYS 5 HN LYS 5 -32.694 3.324 15.129 27 HA LYS 5 HA LYS 5 -31.285 1.114 14.078 28 HB2 LYS 5 HB2 LYS 5 -30.967 4.088 13.605 29 HB3 LYS 5 HB1 LYS 5 -30.089 2.856 12.699 30 HG2 LYS 5 HG2 LYS 5 -32.220 1.848 11.981 31 HG3 LYS 5 HG1 LYS 5 -33.107 3.076 12.887 32 HD2 LYS 5 HD2 LYS 5 -32.087 4.842 11.502 33 HD3 LYS 5 HD1 LYS 5 -31.196 3.620 10.595 34 HE2 LYS 5 HE2 LYS 5 -33.321 2.601 9.868 35 HE3 LYS 5 HE1 LYS 5 -34.217 3.818 10.777 36 HZ1 LYS 5 HZ1 LYS 5 -32.224 4.634 8.767 37 HZ2 LYS 5 HZ2 LYS 5 -33.569 5.492 9.353 38 HZ3 LYS 5 HZ3 LYS 5 -33.787 4.191 8.283 39 H LEU 6 HN LEU 6 -30.297 3.776 16.182 40 HA LEU 6 HA LEU 6 -27.523 3.156 16.188 41 HB2 LEU 6 HB2 LEU 6 -28.687 5.330 17.013 42 HB3 LEU 6 HB1 LEU 6 -28.930 4.469 18.527 43 HG LEU 6 HG LEU 6 -26.219 4.769 17.196 44 HD11 LEU 6 HD11 LEU 6 -27.578 6.492 19.282 45 HD12 LEU 6 HD12 LEU 6 -26.999 6.989 17.693 46 HD13 LEU 6 HD13 LEU 6 -25.846 6.542 18.949 47 HD21 LEU 6 HD21 LEU 6 -25.751 3.163 18.757 48 HD22 LEU 6 HD22 LEU 6 -27.212 3.475 19.690 49 HD23 LEU 6 HD23 LEU 6 -25.792 4.492 19.908 50 H THR 7 HN THR 7 -30.269 2.006 18.084 51 HA THR 7 HA THR 7 -28.761 0.633 20.055 52 HB THR 7 HB THR 7 -31.563 0.106 19.049 53 HG1 THR 7 HG1 THR 7 -30.620 1.498 21.326 54 HG21 THR 7 HG21 THR 7 -30.007 -0.905 21.431 55 HG22 THR 7 HG22 THR 7 -30.830 -1.855 20.194 56 HG23 THR 7 HG23 THR 7 -31.770 -0.934 21.368 57 H ALA 8 HN ALA 8 -30.047 -0.364 16.885 58 HA ALA 8 HA ALA 8 -29.263 -3.101 17.182 59 HB1 ALA 8 HB1 ALA 8 -31.026 -2.372 15.574 60 HB2 ALA 8 HB2 ALA 8 -29.755 -3.325 14.811 61 HB3 ALA 8 HB3 ALA 8 -29.779 -1.574 14.612 62 H ASP 9 HN ASP 9 -27.642 -0.191 16.381 63 HA ASP 9 HA ASP 9 -25.484 -1.374 14.884 64 HB2 ASP 9 HB2 ASP 9 -25.748 1.304 16.267 65 HB3 ASP 9 HB1 ASP 9 -24.323 0.815 15.358 66 H ALA 10 HN ALA 10 -26.293 -1.212 18.183 67 HA ALA 10 HA ALA 10 -23.755 -1.159 19.394 68 HB1 ALA 10 HB1 ALA 10 -26.357 -2.385 20.343 69 HB2 ALA 10 HB2 ALA 10 -25.648 -0.838 20.806 70 HB3 ALA 10 HB3 ALA 10 -24.889 -2.343 21.320 71 H GLU 11 HN GLU 11 -25.561 -3.874 17.985 72 HA GLU 11 HA GLU 11 -24.047 -5.970 19.071 73 HB2 GLU 11 HB2 GLU 11 -24.895 -7.361 17.323 74 HB3 GLU 11 HB1 GLU 11 -26.172 -6.214 17.712 75 HG2 GLU 11 HG2 GLU 11 -25.306 -4.778 15.792 76 HG3 GLU 11 HG1 GLU 11 -24.280 -6.135 15.348 77 H LEU 12 HN LEU 12 -23.262 -3.697 16.560 78 HA LEU 12 HA LEU 12 -21.182 -5.167 15.317 79 HB2 LEU 12 HB2 LEU 12 -21.652 -2.178 15.509 80 HB3 LEU 12 HB1 LEU 12 -20.334 -2.891 14.588 81 HG LEU 12 HG LEU 12 -23.255 -3.597 14.161 82 HD11 LEU 12 HD11 LEU 12 -22.844 -1.218 13.662 83 HD12 LEU 12 HD12 LEU 12 -23.129 -2.133 12.182 84 HD13 LEU 12 HD13 LEU 12 -21.488 -1.668 12.628 85 HD21 LEU 12 HD21 LEU 12 -22.116 -4.234 11.844 86 HD22 LEU 12 HD22 LEU 12 -22.055 -5.355 13.197 87 HD23 LEU 12 HD23 LEU 12 -20.657 -4.346 12.828 88 H GLN 13 HN GLN 13 -21.276 -3.108 18.176 89 HA GLN 13 HA GLN 13 -18.473 -2.933 18.560 90 HB2 GLN 13 HB2 GLN 13 -20.772 -2.656 20.513 91 HB3 GLN 13 HB1 GLN 13 -19.085 -2.430 20.967 92 HG2 GLN 13 HG2 GLN 13 -18.827 -0.615 19.404 93 HG3 GLN 13 HG1 GLN 13 -20.412 -0.920 18.701 94 HE21 GLN 13 HE21 GLN 13 -19.438 1.573 20.061 95 HE22 GLN 13 HE22 GLN 13 -20.515 1.833 21.347 96 H ARG 14 HN ARG 14 -20.865 -5.353 19.480 97 HA ARG 14 HA ARG 14 -19.297 -6.788 21.321 98 HB2 ARG 14 HB2 ARG 14 -21.703 -7.209 21.078 99 HB3 ARG 14 HB1 ARG 14 -21.445 -7.868 19.465 100 HG2 ARG 14 HG2 ARG 14 -20.071 -9.666 20.378 101 HG3 ARG 14 HG1 ARG 14 -20.197 -8.973 21.996 102 HD2 ARG 14 HD2 ARG 14 -22.621 -9.317 21.980 103 HD3 ARG 14 HD1 ARG 14 -22.541 -9.939 20.335 104 HE ARG 14 HE ARG 14 -20.815 -11.493 21.899 105 HH11 ARG 14 HH11 ARG 14 -21.521 -13.502 22.690 106 HH12 ARG 14 HH12 ARG 14 -23.217 -13.819 22.841 107 HH21 ARG 14 HH21 ARG 14 -24.175 -10.707 21.648 108 HH22 ARG 14 HH22 ARG 14 -24.720 -12.236 22.252 109 H LEU 15 HN LEU 15 -19.423 -6.932 17.776 110 HA LEU 15 HA LEU 15 -17.819 -9.246 17.491 111 HB2 LEU 15 HB2 LEU 15 -18.275 -6.910 15.610 112 HB3 LEU 15 HB1 LEU 15 -17.361 -8.350 15.178 113 HG LEU 15 HG LEU 15 -20.222 -8.407 16.182 114 HD11 LEU 15 HD11 LEU 15 -20.891 -8.695 13.858 115 HD12 LEU 15 HD12 LEU 15 -19.208 -8.639 13.332 116 HD13 LEU 15 HD13 LEU 15 -19.970 -7.199 14.008 117 HD21 LEU 15 HD21 LEU 15 -18.265 -10.477 15.193 118 HD22 LEU 15 HD22 LEU 15 -19.980 -10.705 14.857 119 HD23 LEU 15 HD23 LEU 15 -19.423 -10.578 16.519 120 H LYS 16 HN LYS 16 -17.039 -5.846 17.954 121 HA LYS 16 HA LYS 16 -14.296 -5.979 17.311 122 HB2 LYS 16 HB2 LYS 16 -15.468 -3.830 17.560 123 HB3 LYS 16 HB1 LYS 16 -15.665 -4.119 19.288 124 HG2 LYS 16 HG2 LYS 16 -13.216 -4.171 19.568 125 HG3 LYS 16 HG1 LYS 16 -13.009 -3.917 17.835 126 HD2 LYS 16 HD2 LYS 16 -14.181 -1.755 18.009 127 HD3 LYS 16 HD1 LYS 16 -14.401 -2.010 19.740 128 HE2 LYS 16 HE2 LYS 16 -11.956 -2.071 20.050 129 HE3 LYS 16 HE1 LYS 16 -11.728 -1.827 18.318 130 HZ1 LYS 16 HZ1 LYS 16 -13.085 0.048 20.178 131 HZ2 LYS 16 HZ2 LYS 16 -12.912 0.280 18.505 132 HZ3 LYS 16 HZ3 LYS 16 -11.541 0.254 19.509 133 H ASN 17 HN ASN 17 -16.036 -6.737 20.296 134 HA ASN 17 HA ASN 17 -13.506 -7.282 21.698 135 HB2 ASN 17 HB2 ASN 17 -16.382 -7.193 22.635 136 HB3 ASN 17 HB1 ASN 17 -15.037 -7.690 23.658 137 HD21 ASN 17 HD21 ASN 17 -16.650 -5.320 24.162 138 HD22 ASN 17 HD22 ASN 17 -15.628 -3.974 24.012 139 H GLU 18 HN GLU 18 -14.956 -8.954 19.490 140 HA GLU 18 HA GLU 18 -15.795 -11.388 20.629 141 HB2 GLU 18 HB2 GLU 18 -15.491 -12.355 18.441 142 HB3 GLU 18 HB1 GLU 18 -16.107 -10.717 18.224 143 HG2 GLU 18 HG2 GLU 18 -13.695 -9.963 17.952 144 HG3 GLU 18 HG1 GLU 18 -13.245 -11.664 17.909 145 H ALA 19 HN ALA 19 -12.686 -9.985 20.372 146 HA ALA 19 HA ALA 19 -11.058 -12.290 20.261 147 HB1 ALA 19 HB1 ALA 19 -9.278 -10.877 21.217 148 HB2 ALA 19 HB2 ALA 19 -10.465 -9.632 21.603 149 HB3 ALA 19 HB3 ALA 19 -10.128 -10.042 19.918 150 H ALA 20 HN ALA 20 -12.970 -10.948 22.810 151 HA ALA 20 HA ALA 20 -11.600 -11.999 25.045 152 HB1 ALA 20 HB1 ALA 20 -13.747 -11.805 26.247 153 HB2 ALA 20 HB2 ALA 20 -14.582 -11.521 24.720 154 HB3 ALA 20 HB3 ALA 20 -13.401 -10.350 25.312 155 H GLU 21 HN GLU 21 -13.621 -13.494 22.645 156 HA GLU 21 HA GLU 21 -14.376 -15.806 24.081 157 HB2 GLU 21 HB2 GLU 21 -14.025 -15.336 21.108 158 HB3 GLU 21 HB1 GLU 21 -14.630 -16.845 21.790 159 HG2 GLU 21 HG2 GLU 21 -16.496 -15.707 22.822 160 HG3 GLU 21 HG1 GLU 21 -15.847 -14.133 22.366 161 H GLU 22 HN GLU 22 -11.444 -14.985 22.287 162 HA GLU 22 HA GLU 22 -10.333 -17.600 22.261 163 HB2 GLU 22 HB2 GLU 22 -8.986 -14.890 22.090 164 HB3 GLU 22 HB1 GLU 22 -8.188 -16.432 21.787 165 HG2 GLU 22 HG2 GLU 22 -10.657 -15.502 20.301 166 HG3 GLU 22 HG1 GLU 22 -9.012 -15.280 19.705 167 H ALA 23 HN ALA 23 -10.487 -15.112 24.695 168 HA ALA 23 HA ALA 23 -8.286 -15.896 26.271 169 HB1 ALA 23 HB1 ALA 23 -9.317 -13.789 26.765 170 HB2 ALA 23 HB2 ALA 23 -9.522 -14.818 28.181 171 HB3 ALA 23 HB3 ALA 23 -10.876 -14.548 27.088 172 H GLU 24 HN GLU 24 -11.602 -17.145 26.134 173 HA GLU 24 HA GLU 24 -11.436 -18.765 28.447 174 HB2 GLU 24 HB2 GLU 24 -13.150 -19.031 25.954 175 HB3 GLU 24 HB1 GLU 24 -13.302 -20.080 27.360 176 HG2 GLU 24 HG2 GLU 24 -14.904 -18.408 27.758 177 HG3 GLU 24 HG1 GLU 24 -13.533 -17.881 28.725 178 H LEU 25 HN LEU 25 -10.446 -19.295 25.099 179 HA LEU 25 HA LEU 25 -9.965 -22.069 25.308 180 HB2 LEU 25 HB2 LEU 25 -10.068 -20.967 23.123 181 HB3 LEU 25 HB1 LEU 25 -8.614 -20.043 23.488 182 HG LEU 25 HG LEU 25 -7.328 -22.155 23.675 183 HD11 LEU 25 HD11 LEU 25 -8.618 -24.200 22.626 184 HD12 LEU 25 HD12 LEU 25 -10.056 -23.339 23.175 185 HD13 LEU 25 HD13 LEU 25 -8.824 -23.834 24.337 186 HD21 LEU 25 HD21 LEU 25 -7.555 -22.800 21.223 187 HD22 LEU 25 HD22 LEU 25 -7.307 -21.081 21.528 188 HD23 LEU 25 HD23 LEU 25 -8.918 -21.685 21.139 189 H GLU 26 HN GLU 26 -7.964 -19.258 26.092 190 HA GLU 26 HA GLU 26 -5.541 -20.632 26.517 191 HB2 GLU 26 HB2 GLU 26 -6.587 -18.041 27.686 192 HB3 GLU 26 HB1 GLU 26 -4.963 -18.656 27.983 193 HG2 GLU 26 HG2 GLU 26 -4.443 -18.612 25.621 194 HG3 GLU 26 HG1 GLU 26 -6.107 -18.193 25.218 195 H ARG 27 HN ARG 27 -8.367 -20.178 28.562 196 HA ARG 27 HA ARG 27 -7.213 -20.902 31.023 197 HB2 ARG 27 HB2 ARG 27 -9.457 -19.904 30.888 198 HB3 ARG 27 HB1 ARG 27 -10.075 -21.360 30.111 199 HG2 ARG 27 HG2 ARG 27 -9.515 -22.688 32.092 200 HG3 ARG 27 HG1 ARG 27 -8.807 -21.269 32.865 201 HD2 ARG 27 HD2 ARG 27 -11.082 -21.618 33.697 202 HD3 ARG 27 HD1 ARG 27 -11.010 -20.134 32.751 203 HE ARG 27 HE ARG 27 -12.389 -21.132 31.156 204 HH11 ARG 27 HH11 ARG 27 -13.751 -22.804 30.439 205 HH12 ARG 27 HH12 ARG 27 -13.666 -24.362 31.190 206 HH21 ARG 27 HH21 ARG 27 -11.172 -23.449 33.419 207 HH22 ARG 27 HH22 ARG 27 -12.208 -24.727 32.876 208 H LEU 28 HN LEU 28 -8.495 -22.905 28.385 209 HA LEU 28 HA LEU 28 -8.438 -25.360 29.782 210 HB2 LEU 28 HB2 LEU 28 -8.273 -24.728 26.825 211 HB3 LEU 28 HB1 LEU 28 -8.230 -26.377 27.445 212 HG LEU 28 HG LEU 28 -10.385 -25.969 28.615 213 HD11 LEU 28 HD11 LEU 28 -10.478 -23.645 28.993 214 HD12 LEU 28 HD12 LEU 28 -11.652 -23.882 27.701 215 HD13 LEU 28 HD13 LEU 28 -10.043 -23.261 27.327 216 HD21 LEU 28 HD21 LEU 28 -10.242 -26.916 26.283 217 HD22 LEU 28 HD22 LEU 28 -10.521 -25.288 25.661 218 HD23 LEU 28 HD23 LEU 28 -11.764 -26.091 26.623 219 H LYS 29 HN LYS 29 -5.933 -23.586 28.018 220 HA LYS 29 HA LYS 29 -4.007 -25.648 27.976 221 HB2 LYS 29 HB2 LYS 29 -3.756 -23.620 26.602 222 HB3 LYS 29 HB1 LYS 29 -3.519 -22.649 28.055 223 HG2 LYS 29 HG2 LYS 29 -1.512 -23.957 28.619 224 HG3 LYS 29 HG1 LYS 29 -1.762 -24.964 27.193 225 HD2 LYS 29 HD2 LYS 29 -1.535 -22.968 25.752 226 HD3 LYS 29 HD1 LYS 29 -1.259 -21.974 27.183 227 HE2 LYS 29 HE2 LYS 29 0.460 -24.327 26.350 228 HE3 LYS 29 HE1 LYS 29 0.871 -22.635 26.082 229 HZ1 LYS 29 HZ1 LYS 29 0.438 -22.473 28.625 230 HZ2 LYS 29 HZ2 LYS 29 1.929 -23.054 28.052 231 HZ3 LYS 29 HZ3 LYS 29 0.744 -24.140 28.600 232 H SER 30 HN SER 30 -4.830 -23.247 30.450 233 HA SER 30 HA SER 30 -2.633 -23.719 32.147 234 HB2 SER 30 HB2 SER 30 -5.432 -22.757 32.802 235 HB3 SER 30 HB1 SER 30 -4.100 -22.787 33.951 236 HG SER 30 HG SER 30 -3.272 -21.669 31.675 237 H GLU 31 HN GLU 31 -5.736 -25.389 31.800 238 HA GLU 31 HA GLU 31 -5.553 -26.963 34.134 239 HB2 GLU 31 HB2 GLU 31 -6.999 -27.452 31.516 240 HB3 GLU 31 HB1 GLU 31 -7.123 -28.522 32.909 241 HG2 GLU 31 HG2 GLU 31 -8.004 -26.739 34.285 242 HG3 GLU 31 HG1 GLU 31 -7.717 -25.555 33.010 243 H ARG 32 HN ARG 32 -4.225 -27.411 30.881 244 HA ARG 32 HA ARG 32 -2.819 -29.048 30.021 245 HB2 ARG 32 HB2 ARG 32 -1.413 -27.818 31.764 246 HB3 ARG 32 HB1 ARG 32 -1.735 -29.178 32.839 247 HG2 ARG 32 HG2 ARG 32 -0.714 -30.728 31.266 248 HG3 ARG 32 HG1 ARG 32 -0.514 -29.444 30.076 249 HD2 ARG 32 HD2 ARG 32 0.775 -29.485 32.819 250 HD3 ARG 32 HD1 ARG 32 1.587 -29.911 31.316 251 HE ARG 32 HE ARG 32 0.507 -27.362 30.960 252 HH11 ARG 32 HH11 ARG 32 1.803 -25.521 31.264 253 HH12 ARG 32 HH12 ARG 32 3.229 -25.624 32.242 254 HH21 ARG 32 HH21 ARG 32 2.801 -28.987 32.975 255 HH22 ARG 32 HH22 ARG 32 3.795 -27.588 33.212 256 H HIS 33 HN HIS 33 -5.153 -30.204 30.367 257 HA HIS 33 HA HIS 33 -5.348 -32.311 32.228 258 HB2 HIS 33 HB2 HIS 33 -7.297 -31.562 30.954 259 HB3 HIS 33 HB1 HIS 33 -6.551 -32.110 29.451 260 HD2 HIS 33 HD2 HIS 33 -7.113 -34.748 28.850 261 HE1 HIS 33 HE1 HIS 33 -8.448 -35.953 32.671 262 HE2 HIS 33 HE2 HIS 33 -8.140 -36.692 30.259 263 H ASP 34 HN ASP 34 -4.168 -32.310 28.864 264 HA ASP 34 HA ASP 34 -3.503 -35.066 28.797 265 HB2 ASP 34 HB2 ASP 34 -2.495 -32.718 27.178 266 HB3 ASP 34 HB1 ASP 34 -2.016 -34.384 26.871 267 H HIS 35 HN HIS 35 -1.716 -36.168 29.385 268 HA HIS 35 HA HIS 35 0.267 -34.770 31.031 269 HB2 HIS 35 HB2 HIS 35 0.963 -37.019 31.705 270 HB3 HIS 35 HB1 HIS 35 -0.781 -36.830 31.892 271 HD2 HIS 35 HD2 HIS 35 1.712 -39.074 29.974 272 HE1 HIS 35 HE1 HIS 35 -2.123 -39.906 28.416 273 HE2 HIS 35 HE2 HIS 35 0.302 -40.661 28.453 274 H ASP 36 HN ASP 36 -0.071 -35.704 27.822 275 HA ASP 36 HA ASP 36 2.714 -36.423 27.371 276 HB2 ASP 36 HB2 ASP 36 2.064 -36.709 25.060 277 HB3 ASP 36 HB1 ASP 36 0.862 -37.480 26.092 278 H LYS 37 HN LYS 37 1.328 -33.564 28.028 279 HA LYS 37 HA LYS 37 2.178 -31.873 25.933 280 HB2 LYS 37 HB2 LYS 37 0.611 -31.091 27.666 281 HB3 LYS 37 HB1 LYS 37 1.891 -31.162 28.874 282 HG2 LYS 37 HG2 LYS 37 3.199 -29.506 27.598 283 HG3 LYS 37 HG1 LYS 37 1.936 -29.453 26.369 284 HD2 LYS 37 HD2 LYS 37 0.326 -28.641 28.037 285 HD3 LYS 37 HD1 LYS 37 1.568 -28.726 29.288 286 HE2 LYS 37 HE2 LYS 37 1.372 -26.426 28.464 287 HE3 LYS 37 HE1 LYS 37 2.940 -27.098 28.009 288 HZ1 LYS 37 HZ1 LYS 37 1.291 -25.916 26.291 289 HZ2 LYS 37 HZ2 LYS 37 0.783 -27.526 26.116 290 HZ3 LYS 37 HZ3 LYS 37 2.407 -27.109 25.841 291 H LYS 38 HN LYS 38 3.881 -33.115 28.785 292 HA LYS 38 HA LYS 38 6.183 -31.502 28.533 293 HB2 LYS 38 HB2 LYS 38 5.800 -34.237 29.783 294 HB3 LYS 38 HB1 LYS 38 7.310 -33.329 29.860 295 HG2 LYS 38 HG2 LYS 38 6.141 -31.447 30.928 296 HG3 LYS 38 HG1 LYS 38 4.620 -32.338 30.844 297 HD2 LYS 38 HD2 LYS 38 5.576 -34.115 32.263 298 HD3 LYS 38 HD1 LYS 38 7.099 -33.228 32.349 299 HE2 LYS 38 HE2 LYS 38 5.943 -31.330 33.418 300 HE3 LYS 38 HE1 LYS 38 4.416 -32.208 33.328 301 HZ1 LYS 38 HZ1 LYS 38 5.194 -33.832 34.815 302 HZ2 LYS 38 HZ2 LYS 38 5.649 -32.345 35.500 303 HZ3 LYS 38 HZ3 LYS 38 6.800 -33.302 34.698 304 H GLU 39 HN GLU 39 5.262 -34.559 27.003 305 HA GLU 39 HA GLU 39 7.788 -35.173 25.901 306 HB2 GLU 39 HB2 GLU 39 4.993 -35.927 25.004 307 HB3 GLU 39 HB1 GLU 39 6.458 -36.525 24.228 308 HG2 GLU 39 HG2 GLU 39 7.215 -37.536 26.290 309 HG3 GLU 39 HG1 GLU 39 5.886 -36.804 27.188 310 H ALA 40 HN ALA 40 5.166 -33.086 24.773 311 HA ALA 40 HA ALA 40 6.118 -32.690 22.148 312 HB1 ALA 40 HB1 ALA 40 4.411 -30.914 23.917 313 HB2 ALA 40 HB2 ALA 40 3.888 -31.970 22.606 314 HB3 ALA 40 HB3 ALA 40 4.817 -30.517 22.248 315 H GLU 41 HN GLU 41 6.975 -31.149 25.207 316 HA GLU 41 HA GLU 41 8.448 -28.982 24.162 317 HB2 GLU 41 HB2 GLU 41 7.770 -29.157 26.547 318 HB3 GLU 41 HB1 GLU 41 8.957 -30.445 26.770 319 HG2 GLU 41 HG2 GLU 41 10.766 -28.921 26.121 320 HG3 GLU 41 HG1 GLU 41 9.595 -27.636 25.829 321 H ARG 42 HN ARG 42 9.244 -32.360 24.520 322 HA ARG 42 HA ARG 42 12.051 -32.195 24.429 323 HB2 ARG 42 HB2 ARG 42 10.241 -34.367 23.341 324 HB3 ARG 42 HB1 ARG 42 11.966 -34.534 23.647 325 HG2 ARG 42 HG2 ARG 42 10.007 -33.753 25.817 326 HG3 ARG 42 HG1 ARG 42 10.407 -35.430 25.468 327 HD2 ARG 42 HD2 ARG 42 12.846 -34.811 25.806 328 HD3 ARG 42 HD1 ARG 42 12.294 -33.249 26.396 329 HE ARG 42 HE ARG 42 11.533 -34.276 28.345 330 HH11 ARG 42 HH11 ARG 42 11.457 -36.046 29.767 331 HH12 ARG 42 HH12 ARG 42 11.829 -37.634 29.187 332 HH21 ARG 42 HH21 ARG 42 12.448 -36.589 25.938 333 HH22 ARG 42 HH22 ARG 42 12.391 -37.941 27.018 334 H LYS 43 HN LYS 43 9.728 -31.492 22.034 335 HA LYS 43 HA LYS 43 11.013 -32.244 19.667 336 HB2 LYS 43 HB2 LYS 43 9.673 -30.576 18.552 337 HB3 LYS 43 HB1 LYS 43 8.693 -31.290 19.831 338 HG2 LYS 43 HG2 LYS 43 9.375 -29.357 21.316 339 HG3 LYS 43 HG1 LYS 43 10.138 -28.623 19.908 340 HD2 LYS 43 HD2 LYS 43 7.996 -28.626 18.710 341 HD3 LYS 43 HD1 LYS 43 7.212 -29.388 20.094 342 HE2 LYS 43 HE2 LYS 43 6.797 -26.988 20.172 343 HE3 LYS 43 HE1 LYS 43 7.876 -27.430 21.496 344 HZ1 LYS 43 HZ1 LYS 43 9.726 -26.597 20.348 345 HZ2 LYS 43 HZ2 LYS 43 8.518 -25.420 20.139 346 HZ3 LYS 43 HZ3 LYS 43 8.888 -26.496 18.875 347 H ALA 44 HN ALA 44 11.900 -29.870 21.974 348 HA ALA 44 HA ALA 44 13.294 -28.032 20.354 349 HB1 ALA 44 HB1 ALA 44 14.544 -27.429 22.392 350 HB2 ALA 44 HB2 ALA 44 13.908 -28.855 23.209 351 HB3 ALA 44 HB3 ALA 44 12.817 -27.558 22.714 352 H LEU 45 HN LEU 45 14.069 -31.265 21.310 353 HA LEU 45 HA LEU 45 16.876 -31.157 21.055 354 HB2 LEU 45 HB2 LEU 45 15.783 -33.074 22.115 355 HB3 LEU 45 HB1 LEU 45 15.023 -33.523 20.592 356 HG LEU 45 HG LEU 45 17.262 -33.866 19.583 357 HD11 LEU 45 HD11 LEU 45 18.142 -32.886 22.295 358 HD12 LEU 45 HD12 LEU 45 18.762 -32.455 20.701 359 HD13 LEU 45 HD13 LEU 45 19.161 -34.019 21.405 360 HD21 LEU 45 HD21 LEU 45 17.770 -35.925 20.760 361 HD22 LEU 45 HD22 LEU 45 16.021 -35.703 20.772 362 HD23 LEU 45 HD23 LEU 45 16.964 -35.340 22.217 363 H GLU 46 HN GLU 46 14.308 -31.634 18.658 364 HA GLU 46 HA GLU 46 15.997 -32.334 16.496 365 HB2 GLU 46 HB2 GLU 46 13.276 -30.996 16.493 366 HB3 GLU 46 HB1 GLU 46 14.078 -31.657 15.070 367 HG2 GLU 46 HG2 GLU 46 13.450 -33.273 17.555 368 HG3 GLU 46 HG1 GLU 46 12.425 -33.234 16.121 369 H ASP 47 HN ASP 47 15.295 -29.319 18.044 370 HA ASP 47 HA ASP 47 15.988 -27.142 17.624 371 HB2 ASP 47 HB2 ASP 47 18.150 -28.703 16.196 372 HB3 ASP 47 HB1 ASP 47 18.199 -26.959 16.433 373 H LYS 48 HN LYS 48 13.985 -28.236 15.862 374 HA LYS 48 HA LYS 48 12.933 -27.775 13.844 375 HB2 LYS 48 HB2 LYS 48 14.730 -25.345 14.045 376 HB3 LYS 48 HB1 LYS 48 13.383 -25.516 12.919 377 HG2 LYS 48 HG2 LYS 48 11.832 -25.814 14.814 378 HG3 LYS 48 HG1 LYS 48 13.178 -25.642 15.942 379 HD2 LYS 48 HD2 LYS 48 13.608 -23.368 15.085 380 HD3 LYS 48 HD1 LYS 48 12.262 -23.538 13.959 381 HE2 LYS 48 HE2 LYS 48 10.708 -23.834 15.849 382 HE3 LYS 48 HE1 LYS 48 12.052 -23.673 16.981 383 HZ1 LYS 48 HZ1 LYS 48 10.606 -21.621 16.353 384 HZ2 LYS 48 HZ2 LYS 48 11.611 -21.569 14.984 385 HZ3 LYS 48 HZ3 LYS 48 12.284 -21.457 16.539 386 H LEU 49 HN LEU 49 15.257 -29.487 13.738 387 HA LEU 49 HA LEU 49 16.995 -28.766 11.633 388 HB2 LEU 49 HB2 LEU 49 17.576 -30.578 13.175 389 HB3 LEU 49 HB1 LEU 49 16.230 -31.549 12.589 390 HG LEU 49 HG LEU 49 17.243 -31.571 10.325 391 HD11 LEU 49 HD11 LEU 49 19.256 -29.794 11.697 392 HD12 LEU 49 HD12 LEU 49 18.515 -29.613 10.107 393 HD13 LEU 49 HD13 LEU 49 19.769 -30.823 10.359 394 HD21 LEU 49 HD21 LEU 49 17.762 -33.356 11.959 395 HD22 LEU 49 HD22 LEU 49 19.140 -32.420 12.535 396 HD23 LEU 49 HD23 LEU 49 19.129 -33.050 10.888 397 H ALA 50 HN ALA 50 13.860 -30.434 11.645 398 HA ALA 50 HA ALA 50 13.590 -29.858 8.788 399 HB1 ALA 50 HB1 ALA 50 13.219 -32.653 9.891 400 HB2 ALA 50 HB2 ALA 50 14.589 -32.132 8.910 401 HB3 ALA 50 HB3 ALA 50 12.965 -32.140 8.222 402 H ASP 51 HN ASP 51 12.383 -29.110 11.471 403 HA ASP 51 HA ASP 51 9.789 -30.197 11.661 404 HB2 ASP 51 HB2 ASP 51 10.902 -27.538 12.591 405 HB3 ASP 51 HB1 ASP 51 9.249 -28.056 12.910 406 H TYR 52 HN TYR 52 11.066 -27.501 9.745 407 HA TYR 52 HA TYR 52 8.873 -27.683 7.914 408 HB2 TYR 52 HB2 TYR 52 7.990 -25.406 8.259 409 HB3 TYR 52 HB1 TYR 52 7.741 -26.416 9.683 410 HD1 TYR 52 HD1 TYR 52 9.680 -23.623 8.255 411 HD2 TYR 52 HD2 TYR 52 8.990 -26.041 11.737 412 HE1 TYR 52 HE1 TYR 52 10.945 -21.996 9.634 413 HE2 TYR 52 HE2 TYR 52 10.256 -24.415 13.117 414 HH TYR 52 HH TYR 52 11.123 -21.312 11.964 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 -40.101 -2.854 10.545 2 H2 GLY 1 HT2 GLY 1 -41.361 -3.991 10.526 3 H3 GLY 1 HT3 GLY 1 -39.755 -4.504 10.728 4 HA2 GLY 1 HA2 GLY 1 -41.333 -2.873 12.642 5 HA3 GLY 1 HA1 GLY 1 -40.882 -4.567 12.842 6 H SER 2 HN SER 2 -39.969 -1.371 13.422 7 HA SER 2 HA SER 2 -37.148 -1.543 13.383 8 HB2 SER 2 HB2 SER 2 -37.198 0.438 14.806 9 HB3 SER 2 HB1 SER 2 -38.405 0.587 13.531 10 HG SER 2 HG SER 2 -39.147 -0.610 15.947 11 H VAL 3 HN VAL 3 -39.527 -2.742 15.593 12 HA VAL 3 HA VAL 3 -37.905 -2.956 17.904 13 HB VAL 3 HB VAL 3 -40.371 -4.506 17.054 14 HG11 VAL 3 HG11 VAL 3 -40.389 -5.187 19.514 15 HG12 VAL 3 HG12 VAL 3 -38.703 -4.673 19.575 16 HG13 VAL 3 HG13 VAL 3 -39.184 -5.993 18.511 17 HG21 VAL 3 HG21 VAL 3 -40.817 -2.182 17.599 18 HG22 VAL 3 HG22 VAL 3 -39.818 -2.285 19.049 19 HG23 VAL 3 HG23 VAL 3 -41.340 -3.169 18.963 20 H GLU 4 HN GLU 4 -38.422 -5.142 15.152 21 HA GLU 4 HA GLU 4 -36.972 -7.325 16.209 22 HB2 GLU 4 HB2 GLU 4 -37.557 -6.531 13.343 23 HB3 GLU 4 HB1 GLU 4 -36.727 -8.019 13.790 24 HG2 GLU 4 HG2 GLU 4 -38.631 -8.750 15.106 25 HG3 GLU 4 HG1 GLU 4 -39.452 -7.214 14.837 26 H LYS 5 HN LYS 5 -35.958 -4.437 14.438 27 HA LYS 5 HA LYS 5 -33.317 -5.241 13.859 28 HB2 LYS 5 HB2 LYS 5 -34.352 -3.224 12.866 29 HB3 LYS 5 HB1 LYS 5 -34.329 -2.441 14.448 30 HG2 LYS 5 HG2 LYS 5 -31.880 -2.592 14.511 31 HG3 LYS 5 HG1 LYS 5 -31.878 -3.441 12.965 32 HD2 LYS 5 HD2 LYS 5 -32.924 -1.473 11.892 33 HD3 LYS 5 HD1 LYS 5 -32.896 -0.623 13.438 34 HE2 LYS 5 HE2 LYS 5 -30.443 -1.689 12.008 35 HE3 LYS 5 HE1 LYS 5 -30.967 -0.005 11.988 36 HZ1 LYS 5 HZ1 LYS 5 -30.698 0.118 14.349 37 HZ2 LYS 5 HZ2 LYS 5 -29.257 -0.484 13.679 38 HZ3 LYS 5 HZ3 LYS 5 -30.342 -1.538 14.453 39 H LEU 6 HN LEU 6 -34.709 -3.620 16.693 40 HA LEU 6 HA LEU 6 -32.274 -3.229 18.068 41 HB2 LEU 6 HB2 LEU 6 -35.109 -3.490 19.110 42 HB3 LEU 6 HB1 LEU 6 -33.731 -3.086 20.126 43 HG LEU 6 HG LEU 6 -34.514 -1.524 17.648 44 HD11 LEU 6 HD11 LEU 6 -35.487 0.122 19.187 45 HD12 LEU 6 HD12 LEU 6 -35.085 -0.906 20.564 46 HD13 LEU 6 HD13 LEU 6 -36.282 -1.440 19.385 47 HD21 LEU 6 HD21 LEU 6 -32.293 -0.927 18.044 48 HD22 LEU 6 HD22 LEU 6 -32.400 -1.234 19.775 49 HD23 LEU 6 HD23 LEU 6 -33.106 0.229 19.092 50 H THR 7 HN THR 7 -34.493 -5.987 17.946 51 HA THR 7 HA THR 7 -33.209 -7.442 20.040 52 HB THR 7 HB THR 7 -34.955 -8.424 17.778 53 HG1 THR 7 HG1 THR 7 -36.430 -8.470 19.691 54 HG21 THR 7 HG21 THR 7 -33.771 -10.300 18.656 55 HG22 THR 7 HG22 THR 7 -35.350 -10.314 19.445 56 HG23 THR 7 HG23 THR 7 -33.936 -9.712 20.311 57 H ALA 8 HN ALA 8 -32.828 -7.363 16.514 58 HA ALA 8 HA ALA 8 -31.042 -9.588 16.398 59 HB1 ALA 8 HB1 ALA 8 -31.388 -7.352 14.385 60 HB2 ALA 8 HB2 ALA 8 -32.360 -8.825 14.439 61 HB3 ALA 8 HB3 ALA 8 -30.634 -8.920 14.096 62 H ASP 9 HN ASP 9 -30.610 -6.353 17.399 63 HA ASP 9 HA ASP 9 -27.911 -6.006 16.522 64 HB2 ASP 9 HB2 ASP 9 -27.776 -4.154 18.040 65 HB3 ASP 9 HB1 ASP 9 -29.385 -4.139 17.327 66 H ALA 10 HN ALA 10 -29.327 -7.911 18.983 67 HA ALA 10 HA ALA 10 -27.202 -7.993 20.844 68 HB1 ALA 10 HB1 ALA 10 -28.146 -10.297 21.436 69 HB2 ALA 10 HB2 ALA 10 -29.375 -10.003 20.206 70 HB3 ALA 10 HB3 ALA 10 -29.243 -8.929 21.598 71 H GLU 11 HN GLU 11 -27.765 -9.797 17.846 72 HA GLU 11 HA GLU 11 -25.631 -11.634 18.199 73 HB2 GLU 11 HB2 GLU 11 -27.056 -10.690 15.699 74 HB3 GLU 11 HB1 GLU 11 -25.776 -11.900 15.682 75 HG2 GLU 11 HG2 GLU 11 -27.041 -13.364 17.124 76 HG3 GLU 11 HG1 GLU 11 -28.267 -12.127 17.391 77 H LEU 12 HN LEU 12 -25.786 -8.375 16.831 78 HA LEU 12 HA LEU 12 -23.223 -8.371 15.681 79 HB2 LEU 12 HB2 LEU 12 -24.871 -6.691 15.059 80 HB3 LEU 12 HB1 LEU 12 -24.905 -6.054 16.700 81 HG LEU 12 HG LEU 12 -22.533 -5.454 16.510 82 HD11 LEU 12 HD11 LEU 12 -21.668 -5.477 14.022 83 HD12 LEU 12 HD12 LEU 12 -22.843 -6.778 13.824 84 HD13 LEU 12 HD13 LEU 12 -21.534 -6.939 14.996 85 HD21 LEU 12 HD21 LEU 12 -22.841 -3.572 15.006 86 HD22 LEU 12 HD22 LEU 12 -24.366 -3.880 15.836 87 HD23 LEU 12 HD23 LEU 12 -24.146 -4.411 14.168 88 H GLN 13 HN GLN 13 -24.362 -7.612 18.953 89 HA GLN 13 HA GLN 13 -21.899 -6.578 19.899 90 HB2 GLN 13 HB2 GLN 13 -24.233 -7.819 21.379 91 HB3 GLN 13 HB1 GLN 13 -22.811 -7.169 22.188 92 HG2 GLN 13 HG2 GLN 13 -23.207 -4.971 21.282 93 HG3 GLN 13 HG1 GLN 13 -24.489 -5.573 20.235 94 HE21 GLN 13 HE21 GLN 13 -24.689 -3.508 22.404 95 HE22 GLN 13 HE22 GLN 13 -25.858 -4.100 23.482 96 H ARG 14 HN ARG 14 -23.187 -9.864 19.684 97 HA ARG 14 HA ARG 14 -21.205 -11.120 21.254 98 HB2 ARG 14 HB2 ARG 14 -23.305 -12.259 20.582 99 HB3 ARG 14 HB1 ARG 14 -22.728 -12.329 18.917 100 HG2 ARG 14 HG2 ARG 14 -20.763 -13.640 19.662 101 HG3 ARG 14 HG1 ARG 14 -21.366 -13.585 21.318 102 HD2 ARG 14 HD2 ARG 14 -22.857 -14.783 18.966 103 HD3 ARG 14 HD1 ARG 14 -21.967 -15.707 20.173 104 HE ARG 14 HE ARG 14 -24.553 -14.434 20.525 105 HH11 ARG 14 HH11 ARG 14 -25.568 -14.860 22.512 106 HH12 ARG 14 HH12 ARG 14 -24.664 -15.571 23.805 107 HH21 ARG 14 HH21 ARG 14 -21.710 -15.746 21.997 108 HH22 ARG 14 HH22 ARG 14 -22.479 -16.073 23.514 109 H LEU 15 HN LEU 15 -21.274 -10.205 17.830 110 HA LEU 15 HA LEU 15 -18.933 -11.585 17.071 111 HB2 LEU 15 HB2 LEU 15 -20.464 -10.694 15.383 112 HB3 LEU 15 HB1 LEU 15 -20.107 -9.045 15.882 113 HG LEU 15 HG LEU 15 -17.735 -9.369 15.244 114 HD11 LEU 15 HD11 LEU 15 -17.255 -11.652 15.480 115 HD12 LEU 15 HD12 LEU 15 -17.386 -11.494 13.732 116 HD13 LEU 15 HD13 LEU 15 -18.733 -12.153 14.661 117 HD21 LEU 15 HD21 LEU 15 -19.493 -8.548 13.627 118 HD22 LEU 15 HD22 LEU 15 -19.604 -10.195 13.007 119 HD23 LEU 15 HD23 LEU 15 -18.094 -9.296 12.858 120 H LYS 16 HN LYS 16 -19.426 -8.375 18.496 121 HA LYS 16 HA LYS 16 -16.696 -7.563 18.267 122 HB2 LYS 16 HB2 LYS 16 -18.888 -6.606 20.133 123 HB3 LYS 16 HB1 LYS 16 -17.333 -5.810 19.910 124 HG2 LYS 16 HG2 LYS 16 -19.105 -6.370 17.532 125 HG3 LYS 16 HG1 LYS 16 -19.391 -4.955 18.540 126 HD2 LYS 16 HD2 LYS 16 -17.016 -4.262 18.175 127 HD3 LYS 16 HD1 LYS 16 -16.822 -5.618 17.068 128 HE2 LYS 16 HE2 LYS 16 -17.335 -3.579 15.810 129 HE3 LYS 16 HE1 LYS 16 -18.666 -4.729 15.672 130 HZ1 LYS 16 HZ1 LYS 16 -20.042 -3.358 16.728 131 HZ2 LYS 16 HZ2 LYS 16 -18.880 -2.145 16.475 132 HZ3 LYS 16 HZ3 LYS 16 -18.914 -3.000 17.943 133 H ASN 17 HN ASN 17 -18.417 -9.642 20.386 134 HA ASN 17 HA ASN 17 -16.319 -9.543 22.457 135 HB2 ASN 17 HB2 ASN 17 -19.021 -10.906 22.357 136 HB3 ASN 17 HB1 ASN 17 -17.864 -11.118 23.669 137 HD21 ASN 17 HD21 ASN 17 -20.473 -9.894 24.031 138 HD22 ASN 17 HD22 ASN 17 -20.215 -8.277 24.477 139 H GLU 18 HN GLU 18 -16.504 -10.921 19.585 140 HA GLU 18 HA GLU 18 -16.166 -13.689 20.045 141 HB2 GLU 18 HB2 GLU 18 -16.641 -12.793 17.795 142 HB3 GLU 18 HB1 GLU 18 -15.045 -12.045 17.747 143 HG2 GLU 18 HG2 GLU 18 -13.983 -14.250 17.954 144 HG3 GLU 18 HG1 GLU 18 -15.566 -15.015 18.068 145 H ALA 19 HN ALA 19 -13.860 -10.998 20.051 146 HA ALA 19 HA ALA 19 -11.507 -12.557 20.163 147 HB1 ALA 19 HB1 ALA 19 -10.420 -10.542 21.086 148 HB2 ALA 19 HB2 ALA 19 -11.997 -9.787 21.305 149 HB3 ALA 19 HB3 ALA 19 -11.410 -10.156 19.682 150 H ALA 20 HN ALA 20 -13.886 -11.741 22.573 151 HA ALA 20 HA ALA 20 -12.334 -12.217 24.890 152 HB1 ALA 20 HB1 ALA 20 -15.315 -12.677 24.550 153 HB2 ALA 20 HB2 ALA 20 -14.566 -11.135 24.969 154 HB3 ALA 20 HB3 ALA 20 -14.447 -12.502 26.074 155 H GLU 21 HN GLU 21 -13.803 -14.368 22.578 156 HA GLU 21 HA GLU 21 -13.903 -16.698 24.172 157 HB2 GLU 21 HB2 GLU 21 -15.050 -16.563 21.993 158 HB3 GLU 21 HB1 GLU 21 -13.495 -16.526 21.166 159 HG2 GLU 21 HG2 GLU 21 -12.934 -18.733 22.080 160 HG3 GLU 21 HG1 GLU 21 -14.456 -18.765 22.967 161 H GLU 22 HN GLU 22 -11.281 -15.247 22.274 162 HA GLU 22 HA GLU 22 -9.481 -17.415 22.500 163 HB2 GLU 22 HB2 GLU 22 -8.988 -14.455 22.071 164 HB3 GLU 22 HB1 GLU 22 -7.707 -15.665 22.066 165 HG2 GLU 22 HG2 GLU 22 -8.748 -16.846 20.225 166 HG3 GLU 22 HG1 GLU 22 -10.156 -15.788 20.289 167 H ALA 23 HN ALA 23 -10.209 -14.696 24.639 168 HA ALA 23 HA ALA 23 -8.019 -15.009 26.387 169 HB1 ALA 23 HB1 ALA 23 -9.546 -13.889 28.099 170 HB2 ALA 23 HB2 ALA 23 -10.776 -13.837 26.839 171 HB3 ALA 23 HB3 ALA 23 -9.246 -12.989 26.615 172 H GLU 24 HN GLU 24 -11.160 -16.639 26.260 173 HA GLU 24 HA GLU 24 -10.649 -18.074 28.741 174 HB2 GLU 24 HB2 GLU 24 -12.844 -18.417 26.678 175 HB3 GLU 24 HB1 GLU 24 -12.785 -19.195 28.259 176 HG2 GLU 24 HG2 GLU 24 -12.781 -16.195 27.836 177 HG3 GLU 24 HG1 GLU 24 -14.214 -17.140 28.232 178 H LEU 25 HN LEU 25 -9.986 -18.444 25.400 179 HA LEU 25 HA LEU 25 -9.972 -21.262 25.219 180 HB2 LEU 25 HB2 LEU 25 -9.960 -19.888 23.206 181 HB3 LEU 25 HB1 LEU 25 -8.371 -19.246 23.606 182 HG LEU 25 HG LEU 25 -7.415 -21.526 23.446 183 HD11 LEU 25 HD11 LEU 25 -9.036 -23.213 22.242 184 HD12 LEU 25 HD12 LEU 25 -10.308 -22.227 22.961 185 HD13 LEU 25 HD13 LEU 25 -9.128 -23.035 23.993 186 HD21 LEU 25 HD21 LEU 25 -7.834 -21.807 20.956 187 HD22 LEU 25 HD22 LEU 25 -7.326 -20.193 21.451 188 HD23 LEU 25 HD23 LEU 25 -9.023 -20.511 21.090 189 H GLU 26 HN GLU 26 -7.394 -18.978 26.189 190 HA GLU 26 HA GLU 26 -5.402 -21.020 26.386 191 HB2 GLU 26 HB2 GLU 26 -4.034 -19.337 27.470 192 HB3 GLU 26 HB1 GLU 26 -4.864 -18.610 26.096 193 HG2 GLU 26 HG2 GLU 26 -6.613 -17.760 27.656 194 HG3 GLU 26 HG1 GLU 26 -5.678 -18.390 29.008 195 H ARG 27 HN ARG 27 -8.001 -20.032 28.393 196 HA ARG 27 HA ARG 27 -6.964 -20.736 30.924 197 HB2 ARG 27 HB2 ARG 27 -9.067 -19.451 30.658 198 HB3 ARG 27 HB1 ARG 27 -9.866 -20.892 30.031 199 HG2 ARG 27 HG2 ARG 27 -9.377 -22.076 32.148 200 HG3 ARG 27 HG1 ARG 27 -8.601 -20.620 32.773 201 HD2 ARG 27 HD2 ARG 27 -11.488 -20.796 31.869 202 HD3 ARG 27 HD1 ARG 27 -10.955 -20.842 33.547 203 HE ARG 27 HE ARG 27 -11.077 -18.503 31.829 204 HH11 ARG 27 HH11 ARG 27 -10.591 -16.535 32.855 205 HH12 ARG 27 HH12 ARG 27 -9.850 -16.539 34.419 206 HH21 ARG 27 HH21 ARG 27 -9.738 -19.998 34.650 207 HH22 ARG 27 HH22 ARG 27 -9.366 -18.500 35.437 208 H LEU 28 HN LEU 28 -8.497 -22.679 28.386 209 HA LEU 28 HA LEU 28 -8.723 -25.058 29.916 210 HB2 LEU 28 HB2 LEU 28 -8.538 -24.644 26.918 211 HB3 LEU 28 HB1 LEU 28 -8.863 -26.196 27.680 212 HG LEU 28 HG LEU 28 -10.537 -23.705 28.120 213 HD11 LEU 28 HD11 LEU 28 -12.137 -24.651 26.574 214 HD12 LEU 28 HD12 LEU 28 -11.172 -26.116 26.396 215 HD13 LEU 28 HD13 LEU 28 -10.574 -24.583 25.759 216 HD21 LEU 28 HD21 LEU 28 -12.178 -25.702 28.795 217 HD22 LEU 28 HD22 LEU 28 -11.026 -25.055 29.957 218 HD23 LEU 28 HD23 LEU 28 -10.662 -26.550 29.099 219 H LYS 29 HN LYS 29 -6.107 -23.613 28.076 220 HA LYS 29 HA LYS 29 -4.434 -25.870 27.892 221 HB2 LYS 29 HB2 LYS 29 -3.993 -23.826 26.601 222 HB3 LYS 29 HB1 LYS 29 -3.616 -22.949 28.082 223 HG2 LYS 29 HG2 LYS 29 -1.743 -24.483 28.530 224 HG3 LYS 29 HG1 LYS 29 -2.134 -25.393 27.069 225 HD2 LYS 29 HD2 LYS 29 -1.702 -23.412 25.692 226 HD3 LYS 29 HD1 LYS 29 -1.376 -22.458 27.139 227 HE2 LYS 29 HE2 LYS 29 0.736 -23.196 26.132 228 HE3 LYS 29 HE1 LYS 29 0.506 -23.978 27.695 229 HZ1 LYS 29 HZ1 LYS 29 -0.616 -25.396 25.440 230 HZ2 LYS 29 HZ2 LYS 29 0.283 -25.982 26.757 231 HZ3 LYS 29 HZ3 LYS 29 1.077 -25.279 25.430 232 H SER 30 HN SER 30 -4.886 -23.506 30.504 233 HA SER 30 HA SER 30 -2.706 -24.311 32.100 234 HB2 SER 30 HB2 SER 30 -3.906 -23.237 33.945 235 HB3 SER 30 HB1 SER 30 -3.990 -22.240 32.495 236 HG SER 30 HG SER 30 -5.967 -23.959 33.580 237 H GLU 31 HN GLU 31 -5.957 -25.584 31.714 238 HA GLU 31 HA GLU 31 -5.957 -27.294 33.969 239 HB2 GLU 31 HB2 GLU 31 -8.037 -26.759 32.763 240 HB3 GLU 31 HB1 GLU 31 -7.468 -27.644 31.351 241 HG2 GLU 31 HG2 GLU 31 -8.973 -29.052 32.657 242 HG3 GLU 31 HG1 GLU 31 -7.344 -29.714 32.735 243 H ARG 32 HN ARG 32 -4.764 -27.726 30.657 244 HA ARG 32 HA ARG 32 -3.566 -29.462 29.686 245 HB2 ARG 32 HB2 ARG 32 -1.961 -28.461 31.371 246 HB3 ARG 32 HB1 ARG 32 -2.421 -29.763 32.468 247 HG2 ARG 32 HG2 ARG 32 -1.769 -31.410 30.685 248 HG3 ARG 32 HG1 ARG 32 -1.161 -30.060 29.727 249 HD2 ARG 32 HD2 ARG 32 0.713 -30.981 30.928 250 HD3 ARG 32 HD1 ARG 32 0.308 -29.442 31.684 251 HE ARG 32 HE ARG 32 -0.341 -30.604 33.598 252 HH11 ARG 32 HH11 ARG 32 -0.524 -32.497 34.841 253 HH12 ARG 32 HH12 ARG 32 -0.403 -34.045 34.073 254 HH21 ARG 32 HH21 ARG 32 0.072 -32.731 30.901 255 HH22 ARG 32 HH22 ARG 32 -0.065 -34.178 31.843 256 H HIS 33 HN HIS 33 -5.820 -30.543 29.772 257 HA HIS 33 HA HIS 33 -5.862 -32.907 31.537 258 HB2 HIS 33 HB2 HIS 33 -7.908 -31.417 31.221 259 HB3 HIS 33 HB1 HIS 33 -8.002 -32.049 29.577 260 HD2 HIS 33 HD2 HIS 33 -9.669 -34.235 29.517 261 HE1 HIS 33 HE1 HIS 33 -8.965 -35.662 33.426 262 HE2 HIS 33 HE2 HIS 33 -10.260 -36.067 31.280 263 H ASP 34 HN ASP 34 -7.677 -34.014 29.233 264 HA ASP 34 HA ASP 34 -5.737 -34.718 27.197 265 HB2 ASP 34 HB2 ASP 34 -5.750 -37.124 27.678 266 HB3 ASP 34 HB1 ASP 34 -5.131 -36.232 29.063 267 H HIS 35 HN HIS 35 -6.703 -35.732 25.375 268 HA HIS 35 HA HIS 35 -9.634 -35.440 25.277 269 HB2 HIS 35 HB2 HIS 35 -7.581 -35.800 23.074 270 HB3 HIS 35 HB1 HIS 35 -9.315 -35.610 22.822 271 HD2 HIS 35 HD2 HIS 35 -10.261 -32.973 23.047 272 HE1 HIS 35 HE1 HIS 35 -6.575 -31.205 24.098 273 HE2 HIS 35 HE2 HIS 35 -8.984 -30.732 23.451 274 H ASP 36 HN ASP 36 -7.531 -37.799 26.052 275 HA ASP 36 HA ASP 36 -8.336 -40.004 24.470 276 HB2 ASP 36 HB2 ASP 36 -7.163 -39.858 27.259 277 HB3 ASP 36 HB1 ASP 36 -7.497 -41.376 26.429 278 H LYS 37 HN LYS 37 -9.780 -38.429 27.240 279 HA LYS 37 HA LYS 37 -11.485 -40.489 28.103 280 HB2 LYS 37 HB2 LYS 37 -12.805 -38.730 29.156 281 HB3 LYS 37 HB1 LYS 37 -11.087 -38.403 29.377 282 HG2 LYS 37 HG2 LYS 37 -11.150 -36.840 27.449 283 HG3 LYS 37 HG1 LYS 37 -12.879 -37.140 27.274 284 HD2 LYS 37 HD2 LYS 37 -13.264 -36.299 29.561 285 HD3 LYS 37 HD1 LYS 37 -11.537 -35.988 29.736 286 HE2 LYS 37 HE2 LYS 37 -11.621 -34.413 27.840 287 HE3 LYS 37 HE1 LYS 37 -13.347 -34.724 27.657 288 HZ1 LYS 37 HZ1 LYS 37 -11.948 -33.148 29.652 289 HZ2 LYS 37 HZ2 LYS 37 -13.227 -34.103 30.238 290 HZ3 LYS 37 HZ3 LYS 37 -13.509 -32.958 29.015 291 H LYS 38 HN LYS 38 -11.596 -38.464 25.304 292 HA LYS 38 HA LYS 38 -14.376 -38.645 24.755 293 HB2 LYS 38 HB2 LYS 38 -12.012 -38.193 22.914 294 HB3 LYS 38 HB1 LYS 38 -13.694 -38.105 22.396 295 HG2 LYS 38 HG2 LYS 38 -14.128 -36.348 24.070 296 HG3 LYS 38 HG1 LYS 38 -12.445 -36.429 24.592 297 HD2 LYS 38 HD2 LYS 38 -11.713 -35.796 22.314 298 HD3 LYS 38 HD1 LYS 38 -13.401 -35.684 21.813 299 HE2 LYS 38 HE2 LYS 38 -12.139 -34.048 24.033 300 HE3 LYS 38 HE1 LYS 38 -12.463 -33.461 22.402 301 HZ1 LYS 38 HZ1 LYS 38 -14.255 -32.822 23.829 302 HZ2 LYS 38 HZ2 LYS 38 -14.461 -34.416 24.379 303 HZ3 LYS 38 HZ3 LYS 38 -14.824 -34.015 22.768 304 H GLU 39 HN GLU 39 -11.705 -40.831 24.302 305 HA GLU 39 HA GLU 39 -12.859 -42.507 22.333 306 HB2 GLU 39 HB2 GLU 39 -10.775 -43.071 24.461 307 HB3 GLU 39 HB1 GLU 39 -11.256 -44.239 23.232 308 HG2 GLU 39 HG2 GLU 39 -10.563 -42.751 21.454 309 HG3 GLU 39 HG1 GLU 39 -10.241 -41.456 22.605 310 H ALA 40 HN ALA 40 -13.288 -42.260 25.794 311 HA ALA 40 HA ALA 40 -14.452 -44.791 26.262 312 HB1 ALA 40 HB1 ALA 40 -14.983 -42.180 27.715 313 HB2 ALA 40 HB2 ALA 40 -13.722 -43.349 28.114 314 HB3 ALA 40 HB3 ALA 40 -15.417 -43.788 28.293 315 H GLU 41 HN GLU 41 -15.688 -41.924 24.753 316 HA GLU 41 HA GLU 41 -18.448 -42.368 25.132 317 HB2 GLU 41 HB2 GLU 41 -16.960 -40.932 22.916 318 HB3 GLU 41 HB1 GLU 41 -18.717 -40.980 23.037 319 HG2 GLU 41 HG2 GLU 41 -18.665 -39.913 25.205 320 HG3 GLU 41 HG1 GLU 41 -16.906 -40.010 25.260 321 H ARG 42 HN ARG 42 -16.147 -43.668 22.789 322 HA ARG 42 HA ARG 42 -18.024 -44.830 21.032 323 HB2 ARG 42 HB2 ARG 42 -15.662 -44.604 20.408 324 HB3 ARG 42 HB1 ARG 42 -15.200 -45.773 21.644 325 HG2 ARG 42 HG2 ARG 42 -16.488 -47.519 20.540 326 HG3 ARG 42 HG1 ARG 42 -17.109 -46.360 19.364 327 HD2 ARG 42 HD2 ARG 42 -15.257 -47.618 18.379 328 HD3 ARG 42 HD1 ARG 42 -14.789 -45.933 18.589 329 HE ARG 42 HE ARG 42 -14.043 -47.490 20.865 330 HH11 ARG 42 HH11 ARG 42 -11.836 -47.968 21.114 331 HH12 ARG 42 HH12 ARG 42 -10.764 -47.812 19.761 332 HH21 ARG 42 HH21 ARG 42 -13.245 -46.775 17.574 333 HH22 ARG 42 HH22 ARG 42 -11.562 -47.137 17.757 334 H LYS 43 HN LYS 43 -16.578 -45.988 24.047 335 HA LYS 43 HA LYS 43 -17.499 -48.649 23.909 336 HB2 LYS 43 HB2 LYS 43 -15.749 -47.963 25.492 337 HB3 LYS 43 HB1 LYS 43 -16.928 -47.008 26.390 338 HG2 LYS 43 HG2 LYS 43 -18.186 -48.968 26.984 339 HG3 LYS 43 HG1 LYS 43 -17.258 -49.971 25.871 340 HD2 LYS 43 HD2 LYS 43 -16.399 -50.415 28.066 341 HD3 LYS 43 HD1 LYS 43 -15.201 -49.410 27.254 342 HE2 LYS 43 HE2 LYS 43 -15.970 -47.435 28.424 343 HE3 LYS 43 HE1 LYS 43 -17.345 -48.312 29.097 344 HZ1 LYS 43 HZ1 LYS 43 -14.654 -49.353 29.588 345 HZ2 LYS 43 HZ2 LYS 43 -16.036 -49.409 30.575 346 HZ3 LYS 43 HZ3 LYS 43 -15.139 -47.972 30.447 347 H ALA 44 HN ALA 44 -19.083 -45.705 25.071 348 HA ALA 44 HA ALA 44 -21.212 -46.896 26.454 349 HB1 ALA 44 HB1 ALA 44 -21.221 -44.305 24.876 350 HB2 ALA 44 HB2 ALA 44 -20.810 -44.487 26.583 351 HB3 ALA 44 HB3 ALA 44 -22.454 -44.797 26.034 352 H LEU 45 HN LEU 45 -20.590 -46.700 23.061 353 HA LEU 45 HA LEU 45 -23.239 -47.021 22.107 354 HB2 LEU 45 HB2 LEU 45 -20.587 -47.793 20.854 355 HB3 LEU 45 HB1 LEU 45 -22.136 -47.880 20.023 356 HG LEU 45 HG LEU 45 -21.023 -45.353 21.279 357 HD11 LEU 45 HD11 LEU 45 -20.501 -44.666 18.966 358 HD12 LEU 45 HD12 LEU 45 -21.030 -46.243 18.379 359 HD13 LEU 45 HD13 LEU 45 -19.607 -46.120 19.414 360 HD21 LEU 45 HD21 LEU 45 -23.317 -44.955 21.096 361 HD22 LEU 45 HD22 LEU 45 -23.509 -46.035 19.715 362 HD23 LEU 45 HD23 LEU 45 -22.786 -44.442 19.498 363 H GLU 46 HN GLU 46 -20.833 -49.260 23.325 364 HA GLU 46 HA GLU 46 -21.999 -51.660 22.404 365 HB2 GLU 46 HB2 GLU 46 -19.700 -51.533 23.347 366 HB3 GLU 46 HB1 GLU 46 -20.386 -51.273 24.950 367 HG2 GLU 46 HG2 GLU 46 -21.559 -53.425 24.804 368 HG3 GLU 46 HG1 GLU 46 -20.893 -53.687 23.195 369 H ASP 47 HN ASP 47 -22.654 -49.635 25.216 370 HA ASP 47 HA ASP 47 -24.418 -49.593 26.705 371 HB2 ASP 47 HB2 ASP 47 -25.653 -49.773 24.476 372 HB3 ASP 47 HB1 ASP 47 -25.840 -51.487 24.838 373 H LYS 48 HN LYS 48 -22.350 -51.606 27.097 374 HA LYS 48 HA LYS 48 -23.940 -53.613 28.603 375 HB2 LYS 48 HB2 LYS 48 -21.384 -54.041 27.046 376 HB3 LYS 48 HB1 LYS 48 -22.016 -55.190 28.225 377 HG2 LYS 48 HG2 LYS 48 -24.119 -55.358 26.961 378 HG3 LYS 48 HG1 LYS 48 -23.515 -54.198 25.780 379 HD2 LYS 48 HD2 LYS 48 -21.649 -55.737 25.239 380 HD3 LYS 48 HD1 LYS 48 -22.290 -56.903 26.396 381 HE2 LYS 48 HE2 LYS 48 -23.791 -55.853 23.980 382 HE3 LYS 48 HE1 LYS 48 -22.992 -57.423 24.070 383 HZ1 LYS 48 HZ1 LYS 48 -24.434 -58.080 25.834 384 HZ2 LYS 48 HZ2 LYS 48 -25.399 -57.493 24.565 385 HZ3 LYS 48 HZ3 LYS 48 -25.118 -56.532 25.937 386 H LEU 49 HN LEU 49 -22.224 -50.955 28.951 387 HA LEU 49 HA LEU 49 -20.182 -51.607 30.790 388 HB2 LEU 49 HB2 LEU 49 -20.246 -49.412 29.701 389 HB3 LEU 49 HB1 LEU 49 -21.741 -49.009 30.536 390 HG LEU 49 HG LEU 49 -20.569 -49.208 32.714 391 HD11 LEU 49 HD11 LEU 49 -17.950 -49.185 32.435 392 HD12 LEU 49 HD12 LEU 49 -18.288 -49.992 30.906 393 HD13 LEU 49 HD13 LEU 49 -18.805 -50.725 32.424 394 HD21 LEU 49 HD21 LEU 49 -20.700 -47.022 31.620 395 HD22 LEU 49 HD22 LEU 49 -19.249 -47.381 30.683 396 HD23 LEU 49 HD23 LEU 49 -19.143 -47.186 32.432 397 H ALA 50 HN ALA 50 -23.635 -50.941 31.229 398 HA ALA 50 HA ALA 50 -23.617 -50.757 34.037 399 HB1 ALA 50 HB1 ALA 50 -25.809 -51.600 32.123 400 HB2 ALA 50 HB2 ALA 50 -25.611 -50.055 32.948 401 HB3 ALA 50 HB3 ALA 50 -26.047 -51.493 33.866 402 H ASP 51 HN ASP 51 -23.728 -53.579 31.901 403 HA ASP 51 HA ASP 51 -24.350 -55.477 33.901 404 HB2 ASP 51 HB2 ASP 51 -24.517 -55.993 31.488 405 HB3 ASP 51 HB1 ASP 51 -22.761 -55.936 31.354 406 H TYR 52 HN TYR 52 -21.266 -54.084 32.843 407 HA TYR 52 HA TYR 52 -19.126 -54.277 33.710 408 HB2 TYR 52 HB2 TYR 52 -20.650 -54.868 36.262 409 HB3 TYR 52 HB1 TYR 52 -18.960 -54.378 36.151 410 HD1 TYR 52 HD1 TYR 52 -22.209 -53.178 36.704 411 HD2 TYR 52 HD2 TYR 52 -18.580 -52.188 34.628 412 HE1 TYR 52 HE1 TYR 52 -22.889 -50.793 36.651 413 HE2 TYR 52 HE2 TYR 52 -19.257 -49.803 34.581 414 HH TYR 52 HH TYR 52 -22.443 -48.775 35.717 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 -27.882 8.595 2.980 2 H2 GLY 1 HT2 GLY 1 -28.634 9.076 4.425 3 H3 GLY 1 HT3 GLY 1 -28.972 7.551 3.754 4 HA2 GLY 1 HA2 GLY 1 -27.479 7.346 5.645 5 HA3 GLY 1 HA1 GLY 1 -26.700 6.839 4.144 6 H SER 2 HN SER 2 -27.391 10.061 5.496 7 HA SER 2 HA SER 2 -24.923 11.167 4.659 8 HB2 SER 2 HB2 SER 2 -25.554 13.099 6.001 9 HB3 SER 2 HB1 SER 2 -26.960 12.503 5.125 10 HG SER 2 HG SER 2 -26.285 12.196 7.854 11 H VAL 3 HN VAL 3 -25.814 9.281 7.402 12 HA VAL 3 HA VAL 3 -23.081 9.563 8.481 13 HB VAL 3 HB VAL 3 -23.979 9.578 10.798 14 HG11 VAL 3 HG11 VAL 3 -24.472 11.927 10.828 15 HG12 VAL 3 HG12 VAL 3 -25.056 11.889 9.164 16 HG13 VAL 3 HG13 VAL 3 -23.340 11.661 9.502 17 HG21 VAL 3 HG21 VAL 3 -26.282 9.911 11.263 18 HG22 VAL 3 HG22 VAL 3 -26.272 8.645 10.040 19 HG23 VAL 3 HG23 VAL 3 -26.656 10.306 9.587 20 H GLU 4 HN GLU 4 -24.842 7.517 6.982 21 HA GLU 4 HA GLU 4 -25.297 5.321 8.693 22 HB2 GLU 4 HB2 GLU 4 -25.414 3.974 6.679 23 HB3 GLU 4 HB1 GLU 4 -26.214 5.517 6.384 24 HG2 GLU 4 HG2 GLU 4 -24.088 6.357 5.351 25 HG3 GLU 4 HG1 GLU 4 -23.408 4.742 5.529 26 H LYS 5 HN LYS 5 -22.397 6.643 7.390 27 HA LYS 5 HA LYS 5 -20.750 4.350 7.383 28 HB2 LYS 5 HB2 LYS 5 -20.089 7.273 7.809 29 HB3 LYS 5 HB1 LYS 5 -18.870 6.008 7.668 30 HG2 LYS 5 HG2 LYS 5 -19.754 5.385 5.453 31 HG3 LYS 5 HG1 LYS 5 -20.979 6.647 5.587 32 HD2 LYS 5 HD2 LYS 5 -19.212 8.359 5.729 33 HD3 LYS 5 HD1 LYS 5 -17.981 7.102 5.605 34 HE2 LYS 5 HE2 LYS 5 -18.852 6.460 3.389 35 HE3 LYS 5 HE1 LYS 5 -20.089 7.711 3.509 36 HZ1 LYS 5 HZ1 LYS 5 -17.193 7.989 3.126 37 HZ2 LYS 5 HZ2 LYS 5 -18.029 9.222 3.941 38 HZ3 LYS 5 HZ3 LYS 5 -18.465 8.802 2.353 39 H LEU 6 HN LEU 6 -21.605 6.640 9.932 40 HA LEU 6 HA LEU 6 -19.820 5.652 11.891 41 HB2 LEU 6 HB2 LEU 6 -22.445 7.142 12.179 42 HB3 LEU 6 HB1 LEU 6 -21.387 6.756 13.530 43 HG LEU 6 HG LEU 6 -20.500 8.308 11.081 44 HD11 LEU 6 HD11 LEU 6 -22.279 9.469 12.417 45 HD12 LEU 6 HD12 LEU 6 -20.733 10.317 12.421 46 HD13 LEU 6 HD13 LEU 6 -21.223 9.371 13.826 47 HD21 LEU 6 HD21 LEU 6 -18.515 7.544 12.027 48 HD22 LEU 6 HD22 LEU 6 -19.187 7.460 13.655 49 HD23 LEU 6 HD23 LEU 6 -18.740 9.017 12.963 50 H THR 7 HN THR 7 -23.056 4.661 10.912 51 HA THR 7 HA THR 7 -23.635 2.971 13.096 52 HB THR 7 HB THR 7 -24.551 2.775 10.227 53 HG1 THR 7 HG1 THR 7 -25.681 4.441 10.757 54 HG21 THR 7 HG21 THR 7 -26.523 1.621 11.380 55 HG22 THR 7 HG22 THR 7 -25.470 1.470 12.786 56 HG23 THR 7 HG23 THR 7 -25.029 0.691 11.267 57 H ALA 8 HN ALA 8 -21.874 2.404 10.068 58 HA ALA 8 HA ALA 8 -21.740 -0.395 10.179 59 HB1 ALA 8 HB1 ALA 8 -19.789 -0.203 8.693 60 HB2 ALA 8 HB2 ALA 8 -19.698 1.525 9.027 61 HB3 ALA 8 HB3 ALA 8 -21.094 0.863 8.173 62 H ASP 9 HN ASP 9 -20.160 1.959 12.125 63 HA ASP 9 HA ASP 9 -17.808 0.524 12.793 64 HB2 ASP 9 HB2 ASP 9 -17.632 1.944 14.733 65 HB3 ASP 9 HB1 ASP 9 -18.213 2.923 13.389 66 H ALA 10 HN ALA 10 -21.088 -0.033 13.545 67 HA ALA 10 HA ALA 10 -20.866 -1.308 16.047 68 HB1 ALA 10 HB1 ALA 10 -22.886 -1.667 13.818 69 HB2 ALA 10 HB2 ALA 10 -23.069 -0.769 15.325 70 HB3 ALA 10 HB3 ALA 10 -22.985 -2.528 15.352 71 H GLU 11 HN GLU 11 -20.337 -2.516 12.765 72 HA GLU 11 HA GLU 11 -20.194 -5.258 13.444 73 HB2 GLU 11 HB2 GLU 11 -18.969 -3.728 11.134 74 HB3 GLU 11 HB1 GLU 11 -18.838 -5.475 11.317 75 HG2 GLU 11 HG2 GLU 11 -21.487 -4.005 11.291 76 HG3 GLU 11 HG1 GLU 11 -20.753 -4.714 9.856 77 H LEU 12 HN LEU 12 -17.804 -2.661 13.541 78 HA LEU 12 HA LEU 12 -15.539 -4.306 13.962 79 HB2 LEU 12 HB2 LEU 12 -16.058 -1.417 14.714 80 HB3 LEU 12 HB1 LEU 12 -14.519 -2.224 14.993 81 HG LEU 12 HG LEU 12 -15.856 -2.046 12.274 82 HD11 LEU 12 HD11 LEU 12 -15.268 0.195 13.159 83 HD12 LEU 12 HD12 LEU 12 -14.259 -0.252 11.783 84 HD13 LEU 12 HD13 LEU 12 -13.614 -0.358 13.422 85 HD21 LEU 12 HD21 LEU 12 -14.320 -3.796 12.081 86 HD22 LEU 12 HD22 LEU 12 -13.237 -3.130 13.302 87 HD23 LEU 12 HD23 LEU 12 -13.287 -2.428 11.687 88 H GLN 13 HN GLN 13 -17.962 -2.986 16.164 89 HA GLN 13 HA GLN 13 -16.605 -3.632 18.566 90 HB2 GLN 13 HB2 GLN 13 -19.555 -3.231 17.995 91 HB3 GLN 13 HB1 GLN 13 -18.917 -3.561 19.605 92 HG2 GLN 13 HG2 GLN 13 -17.567 -1.565 19.562 93 HG3 GLN 13 HG1 GLN 13 -17.945 -1.278 17.866 94 HE21 GLN 13 HE21 GLN 13 -18.522 0.521 20.176 95 HE22 GLN 13 HE22 GLN 13 -20.205 0.738 20.181 96 H ARG 14 HN ARG 14 -18.741 -5.506 16.458 97 HA ARG 14 HA ARG 14 -19.134 -7.689 18.198 98 HB2 ARG 14 HB2 ARG 14 -20.494 -7.415 16.173 99 HB3 ARG 14 HB1 ARG 14 -19.081 -7.715 15.160 100 HG2 ARG 14 HG2 ARG 14 -18.856 -9.963 16.046 101 HG3 ARG 14 HG1 ARG 14 -20.140 -9.669 17.221 102 HD2 ARG 14 HD2 ARG 14 -20.528 -9.529 14.221 103 HD3 ARG 14 HD1 ARG 14 -20.896 -10.950 15.195 104 HE ARG 14 HE ARG 14 -22.227 -8.776 16.352 105 HH11 ARG 14 HH11 ARG 14 -24.425 -8.428 15.900 106 HH12 ARG 14 HH12 ARG 14 -25.126 -9.099 14.465 107 HH21 ARG 14 HH21 ARG 14 -22.177 -10.583 13.401 108 HH22 ARG 14 HH22 ARG 14 -23.853 -10.319 13.050 109 H LEU 15 HN LEU 15 -16.504 -6.920 15.958 110 HA LEU 15 HA LEU 15 -15.207 -9.422 16.062 111 HB2 LEU 15 HB2 LEU 15 -14.104 -6.645 15.546 112 HB3 LEU 15 HB1 LEU 15 -13.154 -8.118 15.390 113 HG LEU 15 HG LEU 15 -15.754 -7.628 13.910 114 HD11 LEU 15 HD11 LEU 15 -14.287 -7.215 11.937 115 HD12 LEU 15 HD12 LEU 15 -12.884 -7.256 13.006 116 HD13 LEU 15 HD13 LEU 15 -14.098 -5.990 13.193 117 HD21 LEU 15 HD21 LEU 15 -13.690 -9.826 13.933 118 HD22 LEU 15 HD22 LEU 15 -14.521 -9.463 12.422 119 HD23 LEU 15 HD23 LEU 15 -15.447 -9.943 13.838 120 H LYS 16 HN LYS 16 -15.085 -6.614 18.211 121 HA LYS 16 HA LYS 16 -12.845 -7.424 19.722 122 HB2 LYS 16 HB2 LYS 16 -13.770 -5.144 19.886 123 HB3 LYS 16 HB1 LYS 16 -15.221 -5.775 20.662 124 HG2 LYS 16 HG2 LYS 16 -13.862 -6.652 22.519 125 HG3 LYS 16 HG1 LYS 16 -12.399 -6.051 21.735 126 HD2 LYS 16 HD2 LYS 16 -13.272 -3.747 21.870 127 HD3 LYS 16 HD1 LYS 16 -14.735 -4.347 22.653 128 HE2 LYS 16 HE2 LYS 16 -13.384 -5.226 24.517 129 HE3 LYS 16 HE1 LYS 16 -11.916 -4.639 23.736 130 HZ1 LYS 16 HZ1 LYS 16 -12.331 -2.851 25.022 131 HZ2 LYS 16 HZ2 LYS 16 -13.999 -3.161 25.132 132 HZ3 LYS 16 HZ3 LYS 16 -13.358 -2.422 23.743 133 H ASN 17 HN ASN 17 -16.279 -8.265 19.964 134 HA ASN 17 HA ASN 17 -16.132 -9.618 22.438 135 HB2 ASN 17 HB2 ASN 17 -18.036 -9.932 20.103 136 HB3 ASN 17 HB1 ASN 17 -18.195 -10.837 21.604 137 HD21 ASN 17 HD21 ASN 17 -20.158 -8.904 20.697 138 HD22 ASN 17 HD22 ASN 17 -20.173 -7.633 21.820 139 H GLU 18 HN GLU 18 -15.451 -10.650 19.126 140 HA GLU 18 HA GLU 18 -15.278 -13.420 19.641 141 HB2 GLU 18 HB2 GLU 18 -15.388 -12.532 17.343 142 HB3 GLU 18 HB1 GLU 18 -13.790 -11.812 17.529 143 HG2 GLU 18 HG2 GLU 18 -13.602 -13.938 16.349 144 HG3 GLU 18 HG1 GLU 18 -12.847 -14.084 17.932 145 H ALA 19 HN ALA 19 -12.924 -10.798 19.996 146 HA ALA 19 HA ALA 19 -10.658 -12.412 20.453 147 HB1 ALA 19 HB1 ALA 19 -10.268 -10.092 20.044 148 HB2 ALA 19 HB2 ALA 19 -9.758 -10.397 21.703 149 HB3 ALA 19 HB3 ALA 19 -11.297 -9.598 21.388 150 H ALA 20 HN ALA 20 -13.235 -11.323 22.622 151 HA ALA 20 HA ALA 20 -12.010 -12.084 25.047 152 HB1 ALA 20 HB1 ALA 20 -14.937 -11.841 24.292 153 HB2 ALA 20 HB2 ALA 20 -13.953 -10.720 25.233 154 HB3 ALA 20 HB3 ALA 20 -14.398 -12.284 25.912 155 H GLU 21 HN GLU 21 -13.843 -13.938 22.659 156 HA GLU 21 HA GLU 21 -14.177 -16.279 24.201 157 HB2 GLU 21 HB2 GLU 21 -15.415 -15.902 22.094 158 HB3 GLU 21 HB1 GLU 21 -13.919 -16.078 21.178 159 HG2 GLU 21 HG2 GLU 21 -13.651 -18.368 22.019 160 HG3 GLU 21 HG1 GLU 21 -15.113 -18.194 22.989 161 H GLU 22 HN GLU 22 -11.491 -15.117 22.215 162 HA GLU 22 HA GLU 22 -9.995 -17.506 22.185 163 HB2 GLU 22 HB2 GLU 22 -9.450 -15.616 20.702 164 HB3 GLU 22 HB1 GLU 22 -8.962 -14.647 22.089 165 HG2 GLU 22 HG2 GLU 22 -6.994 -15.620 21.024 166 HG3 GLU 22 HG1 GLU 22 -7.208 -16.335 22.617 167 H ALA 23 HN ALA 23 -10.217 -14.906 24.583 168 HA ALA 23 HA ALA 23 -8.044 -15.716 26.187 169 HB1 ALA 23 HB1 ALA 23 -10.571 -14.203 26.899 170 HB2 ALA 23 HB2 ALA 23 -8.951 -13.560 26.639 171 HB3 ALA 23 HB3 ALA 23 -9.292 -14.540 28.063 172 H GLU 24 HN GLU 24 -11.402 -16.822 26.057 173 HA GLU 24 HA GLU 24 -11.352 -18.364 28.426 174 HB2 GLU 24 HB2 GLU 24 -13.464 -17.810 27.273 175 HB3 GLU 24 HB1 GLU 24 -13.012 -18.854 25.926 176 HG2 GLU 24 HG2 GLU 24 -12.946 -20.795 27.428 177 HG3 GLU 24 HG1 GLU 24 -13.338 -19.760 28.800 178 H LEU 25 HN LEU 25 -10.349 -19.079 25.110 179 HA LEU 25 HA LEU 25 -9.965 -21.850 25.426 180 HB2 LEU 25 HB2 LEU 25 -9.978 -20.817 23.206 181 HB3 LEU 25 HB1 LEU 25 -8.497 -19.936 23.575 182 HG LEU 25 HG LEU 25 -7.296 -22.087 23.853 183 HD11 LEU 25 HD11 LEU 25 -10.055 -23.185 23.326 184 HD12 LEU 25 HD12 LEU 25 -8.872 -23.683 24.537 185 HD13 LEU 25 HD13 LEU 25 -8.635 -24.117 22.846 186 HD21 LEU 25 HD21 LEU 25 -7.223 -22.657 21.493 187 HD22 LEU 25 HD22 LEU 25 -7.456 -20.914 21.639 188 HD23 LEU 25 HD23 LEU 25 -8.820 -21.955 21.235 189 H GLU 26 HN GLU 26 -7.876 -19.097 26.179 190 HA GLU 26 HA GLU 26 -5.508 -20.534 26.664 191 HB2 GLU 26 HB2 GLU 26 -5.551 -18.072 26.477 192 HB3 GLU 26 HB1 GLU 26 -6.411 -17.965 28.013 193 HG2 GLU 26 HG2 GLU 26 -4.531 -19.041 29.164 194 HG3 GLU 26 HG1 GLU 26 -3.678 -19.222 27.631 195 H ARG 27 HN ARG 27 -8.324 -19.932 28.720 196 HA ARG 27 HA ARG 27 -7.191 -20.775 31.154 197 HB2 ARG 27 HB2 ARG 27 -9.358 -19.622 31.079 198 HB3 ARG 27 HB1 ARG 27 -10.091 -21.013 30.281 199 HG2 ARG 27 HG2 ARG 27 -9.648 -22.420 32.208 200 HG3 ARG 27 HG1 ARG 27 -8.739 -21.124 32.989 201 HD2 ARG 27 HD2 ARG 27 -11.662 -20.917 32.223 202 HD3 ARG 27 HD1 ARG 27 -11.096 -21.358 33.832 203 HE ARG 27 HE ARG 27 -9.839 -18.957 33.129 204 HH11 ARG 27 HH11 ARG 27 -10.670 -16.985 33.889 205 HH12 ARG 27 HH12 ARG 27 -12.325 -16.886 34.393 206 HH21 ARG 27 HH21 ARG 27 -13.009 -20.217 33.713 207 HH22 ARG 27 HH22 ARG 27 -13.648 -18.715 34.294 208 H LEU 28 HN LEU 28 -8.664 -22.649 28.515 209 HA LEU 28 HA LEU 28 -8.716 -25.120 29.899 210 HB2 LEU 28 HB2 LEU 28 -8.659 -24.472 26.942 211 HB3 LEU 28 HB1 LEU 28 -8.677 -26.127 27.547 212 HG LEU 28 HG LEU 28 -10.747 -25.593 28.838 213 HD11 LEU 28 HD11 LEU 28 -10.681 -23.253 29.168 214 HD12 LEU 28 HD12 LEU 28 -11.950 -23.464 27.963 215 HD13 LEU 28 HD13 LEU 28 -10.343 -22.934 27.468 216 HD21 LEU 28 HD21 LEU 28 -10.917 -26.648 26.638 217 HD22 LEU 28 HD22 LEU 28 -10.828 -25.075 25.847 218 HD23 LEU 28 HD23 LEU 28 -12.230 -25.488 26.833 219 H LYS 29 HN LYS 29 -6.188 -23.480 28.046 220 HA LYS 29 HA LYS 29 -4.399 -25.674 27.902 221 HB2 LYS 29 HB2 LYS 29 -3.796 -22.702 27.908 222 HB3 LYS 29 HB1 LYS 29 -2.680 -23.972 27.420 223 HG2 LYS 29 HG2 LYS 29 -5.372 -23.530 26.099 224 HG3 LYS 29 HG1 LYS 29 -3.877 -22.811 25.511 225 HD2 LYS 29 HD2 LYS 29 -2.932 -25.190 25.420 226 HD3 LYS 29 HD1 LYS 29 -4.586 -25.749 25.661 227 HE2 LYS 29 HE2 LYS 29 -3.706 -23.906 23.425 228 HE3 LYS 29 HE1 LYS 29 -3.993 -25.639 23.256 229 HZ1 LYS 29 HZ1 LYS 29 -6.117 -25.171 22.929 230 HZ2 LYS 29 HZ2 LYS 29 -5.863 -23.521 23.250 231 HZ3 LYS 29 HZ3 LYS 29 -6.219 -24.592 24.521 232 H SER 30 HN SER 30 -5.210 -23.474 30.470 233 HA SER 30 HA SER 30 -2.841 -23.700 31.988 234 HB2 SER 30 HB2 SER 30 -5.682 -23.173 32.905 235 HB3 SER 30 HB1 SER 30 -4.266 -23.063 33.942 236 HG SER 30 HG SER 30 -4.561 -21.049 33.144 237 H GLU 31 HN GLU 31 -5.715 -25.761 31.781 238 HA GLU 31 HA GLU 31 -5.097 -27.419 33.987 239 HB2 GLU 31 HB2 GLU 31 -6.732 -27.980 31.493 240 HB3 GLU 31 HB1 GLU 31 -6.602 -29.088 32.858 241 HG2 GLU 31 HG2 GLU 31 -7.503 -26.212 33.133 242 HG3 GLU 31 HG1 GLU 31 -8.617 -27.563 32.927 243 H ARG 32 HN ARG 32 -4.077 -27.484 30.601 244 HA ARG 32 HA ARG 32 -2.813 -30.053 30.761 245 HB2 ARG 32 HB2 ARG 32 -2.292 -27.780 28.826 246 HB3 ARG 32 HB1 ARG 32 -1.817 -29.460 28.608 247 HG2 ARG 32 HG2 ARG 32 -4.698 -28.571 28.917 248 HG3 ARG 32 HG1 ARG 32 -3.911 -28.774 27.355 249 HD2 ARG 32 HD2 ARG 32 -4.395 -30.925 29.440 250 HD3 ARG 32 HD1 ARG 32 -5.132 -30.796 27.854 251 HE ARG 32 HE ARG 32 -2.465 -31.777 28.434 252 HH11 ARG 32 HH11 ARG 32 -1.355 -32.632 26.648 253 HH12 ARG 32 HH12 ARG 32 -1.938 -32.329 25.045 254 HH21 ARG 32 HH21 ARG 32 -4.644 -30.437 26.103 255 HH22 ARG 32 HH22 ARG 32 -3.799 -31.085 24.737 256 H HIS 33 HN HIS 33 -0.605 -30.517 30.895 257 HA HIS 33 HA HIS 33 1.524 -30.318 31.792 258 HB2 HIS 33 HB2 HIS 33 1.207 -27.423 30.950 259 HB3 HIS 33 HB1 HIS 33 2.721 -28.247 31.314 260 HD2 HIS 33 HD2 HIS 33 0.496 -27.614 28.285 261 HE1 HIS 33 HE1 HIS 33 2.919 -30.916 27.260 262 HE2 HIS 33 HE2 HIS 33 1.304 -29.177 26.355 263 H ASP 34 HN ASP 34 -0.772 -29.986 33.548 264 HA ASP 34 HA ASP 34 0.010 -27.898 35.447 265 HB2 ASP 34 HB2 ASP 34 -2.391 -28.307 35.014 266 HB3 ASP 34 HB1 ASP 34 -2.211 -29.953 35.626 267 H HIS 35 HN HIS 35 1.760 -28.367 36.624 268 HA HIS 35 HA HIS 35 2.155 -31.110 37.649 269 HB2 HIS 35 HB2 HIS 35 4.019 -28.718 37.631 270 HB3 HIS 35 HB1 HIS 35 4.424 -30.332 38.214 271 HD2 HIS 35 HD2 HIS 35 4.520 -28.400 34.927 272 HE1 HIS 35 HE1 HIS 35 4.672 -32.484 33.866 273 HE2 HIS 35 HE2 HIS 35 4.961 -30.113 33.005 274 H ASP 36 HN ASP 36 0.453 -28.574 38.586 275 HA ASP 36 HA ASP 36 -0.279 -27.722 40.615 276 HB2 ASP 36 HB2 ASP 36 0.761 -30.428 41.472 277 HB3 ASP 36 HB1 ASP 36 -0.140 -29.346 42.532 278 H LYS 37 HN LYS 37 2.433 -27.008 39.760 279 HA LYS 37 HA LYS 37 4.265 -27.174 41.912 280 HB2 LYS 37 HB2 LYS 37 5.515 -25.434 40.738 281 HB3 LYS 37 HB1 LYS 37 4.937 -26.646 39.597 282 HG2 LYS 37 HG2 LYS 37 3.016 -25.185 39.031 283 HG3 LYS 37 HG1 LYS 37 3.633 -23.960 40.141 284 HD2 LYS 37 HD2 LYS 37 5.718 -23.814 38.837 285 HD3 LYS 37 HD1 LYS 37 5.105 -25.035 37.720 286 HE2 LYS 37 HE2 LYS 37 3.217 -23.561 37.136 287 HE3 LYS 37 HE1 LYS 37 3.820 -22.340 38.256 288 HZ1 LYS 37 HZ1 LYS 37 5.507 -23.407 36.076 289 HZ2 LYS 37 HZ2 LYS 37 5.696 -21.965 36.955 290 HZ3 LYS 37 HZ3 LYS 37 4.445 -22.111 35.815 291 H LYS 38 HN LYS 38 1.741 -24.850 41.121 292 HA LYS 38 HA LYS 38 2.484 -22.849 42.967 293 HB2 LYS 38 HB2 LYS 38 -0.205 -23.541 41.768 294 HB3 LYS 38 HB1 LYS 38 0.057 -22.146 42.809 295 HG2 LYS 38 HG2 LYS 38 1.895 -21.418 41.232 296 HG3 LYS 38 HG1 LYS 38 1.391 -22.709 40.146 297 HD2 LYS 38 HD2 LYS 38 -0.507 -20.569 41.139 298 HD3 LYS 38 HD1 LYS 38 0.420 -20.404 39.650 299 HE2 LYS 38 HE2 LYS 38 -1.592 -22.597 40.264 300 HE3 LYS 38 HE1 LYS 38 -1.812 -21.260 39.144 301 HZ1 LYS 38 HZ1 LYS 38 0.175 -22.090 37.936 302 HZ2 LYS 38 HZ2 LYS 38 -1.158 -23.143 37.892 303 HZ3 LYS 38 HZ3 LYS 38 0.152 -23.468 38.924 304 H GLU 39 HN GLU 39 0.560 -25.791 43.320 305 HA GLU 39 HA GLU 39 -0.481 -25.223 45.884 306 HB2 GLU 39 HB2 GLU 39 0.045 -27.862 44.488 307 HB3 GLU 39 HB1 GLU 39 -0.745 -27.730 46.057 308 HG2 GLU 39 HG2 GLU 39 -2.514 -26.362 45.114 309 HG3 GLU 39 HG1 GLU 39 -1.690 -26.307 43.557 310 H ALA 40 HN ALA 40 2.597 -26.593 44.831 311 HA ALA 40 HA ALA 40 3.451 -27.578 47.336 312 HB1 ALA 40 HB1 ALA 40 5.722 -27.512 46.408 313 HB2 ALA 40 HB2 ALA 40 5.158 -26.522 45.063 314 HB3 ALA 40 HB3 ALA 40 4.588 -28.184 45.237 315 H GLU 41 HN GLU 41 3.221 -24.344 46.118 316 HA GLU 41 HA GLU 41 5.201 -23.117 47.706 317 HB2 GLU 41 HB2 GLU 41 2.622 -22.005 46.570 318 HB3 GLU 41 HB1 GLU 41 3.808 -21.027 47.430 319 HG2 GLU 41 HG2 GLU 41 5.524 -21.577 45.813 320 HG3 GLU 41 HG1 GLU 41 4.454 -22.721 45.005 321 H ARG 42 HN ARG 42 1.858 -24.039 48.435 322 HA ARG 42 HA ARG 42 1.652 -22.636 50.880 323 HB2 ARG 42 HB2 ARG 42 0.226 -25.127 49.907 324 HB3 ARG 42 HB1 ARG 42 -0.149 -24.312 51.425 325 HG2 ARG 42 HG2 ARG 42 -0.703 -22.263 50.259 326 HG3 ARG 42 HG1 ARG 42 -0.167 -22.944 48.722 327 HD2 ARG 42 HD2 ARG 42 -2.423 -24.080 50.393 328 HD3 ARG 42 HD1 ARG 42 -2.655 -23.004 49.019 329 HE ARG 42 HE ARG 42 -1.076 -25.140 48.140 330 HH11 ARG 42 HH11 ARG 42 -2.036 -26.897 47.065 331 HH12 ARG 42 HH12 ARG 42 -3.728 -27.208 47.263 332 HH21 ARG 42 HH21 ARG 42 -4.236 -24.535 49.412 333 HH22 ARG 42 HH22 ARG 42 -4.974 -25.870 48.592 334 H LYS 43 HN LYS 43 2.989 -25.805 50.068 335 HA LYS 43 HA LYS 43 3.284 -26.748 52.731 336 HB2 LYS 43 HB2 LYS 43 4.750 -27.467 50.179 337 HB3 LYS 43 HB1 LYS 43 4.977 -28.297 51.718 338 HG2 LYS 43 HG2 LYS 43 2.676 -28.991 51.784 339 HG3 LYS 43 HG1 LYS 43 2.267 -27.963 50.414 340 HD2 LYS 43 HD2 LYS 43 2.446 -30.204 49.568 341 HD3 LYS 43 HD1 LYS 43 3.881 -29.340 49.025 342 HE2 LYS 43 HE2 LYS 43 5.230 -30.353 50.761 343 HE3 LYS 43 HE1 LYS 43 3.804 -31.068 51.514 344 HZ1 LYS 43 HZ1 LYS 43 4.005 -31.750 48.757 345 HZ2 LYS 43 HZ2 LYS 43 3.875 -32.767 50.113 346 HZ3 LYS 43 HZ3 LYS 43 5.399 -32.214 49.605 347 H ALA 44 HN ALA 44 5.043 -24.454 50.852 348 HA ALA 44 HA ALA 44 7.585 -24.649 52.052 349 HB1 ALA 44 HB1 ALA 44 7.966 -22.355 51.286 350 HB2 ALA 44 HB2 ALA 44 6.243 -22.147 50.983 351 HB3 ALA 44 HB3 ALA 44 7.175 -23.297 50.023 352 H LEU 45 HN LEU 45 4.596 -23.354 53.241 353 HA LEU 45 HA LEU 45 5.620 -21.601 55.199 354 HB2 LEU 45 HB2 LEU 45 3.253 -21.539 54.578 355 HB3 LEU 45 HB1 LEU 45 3.007 -23.154 55.233 356 HG LEU 45 HG LEU 45 3.641 -22.332 57.485 357 HD11 LEU 45 HD11 LEU 45 5.106 -20.528 57.185 358 HD12 LEU 45 HD12 LEU 45 3.616 -19.703 57.632 359 HD13 LEU 45 HD13 LEU 45 4.103 -19.786 55.939 360 HD21 LEU 45 HD21 LEU 45 1.272 -22.284 56.679 361 HD22 LEU 45 HD22 LEU 45 1.513 -20.610 56.178 362 HD23 LEU 45 HD23 LEU 45 1.613 -21.044 57.884 363 H GLU 46 HN GLU 46 5.029 -25.090 55.238 364 HA GLU 46 HA GLU 46 5.423 -25.499 58.002 365 HB2 GLU 46 HB2 GLU 46 5.835 -27.348 55.638 366 HB3 GLU 46 HB1 GLU 46 5.986 -27.860 57.318 367 HG2 GLU 46 HG2 GLU 46 3.689 -27.226 57.778 368 HG3 GLU 46 HG1 GLU 46 3.516 -26.543 56.163 369 H ASP 47 HN ASP 47 7.668 -24.996 55.372 370 HA ASP 47 HA ASP 47 9.982 -24.852 55.313 371 HB2 ASP 47 HB2 ASP 47 9.470 -24.194 58.223 372 HB3 ASP 47 HB1 ASP 47 11.044 -24.052 57.446 373 H LYS 48 HN LYS 48 8.852 -27.476 55.659 374 HA LYS 48 HA LYS 48 9.487 -29.639 56.213 375 HB2 LYS 48 HB2 LYS 48 12.188 -28.276 56.364 376 HB3 LYS 48 HB1 LYS 48 11.935 -30.022 56.338 377 HG2 LYS 48 HG2 LYS 48 10.796 -29.824 54.155 378 HG3 LYS 48 HG1 LYS 48 11.066 -28.081 54.175 379 HD2 LYS 48 HD2 LYS 48 13.498 -28.443 54.227 380 HD3 LYS 48 HD1 LYS 48 13.246 -30.188 54.235 381 HE2 LYS 48 HE2 LYS 48 13.736 -29.434 51.957 382 HE3 LYS 48 HE1 LYS 48 12.071 -30.008 52.053 383 HZ1 LYS 48 HZ1 LYS 48 11.507 -28.044 51.219 384 HZ2 LYS 48 HZ2 LYS 48 13.058 -27.394 51.459 385 HZ3 LYS 48 HZ3 LYS 48 11.918 -27.366 52.719 386 H LEU 49 HN LEU 49 8.495 -28.020 58.370 387 HA LEU 49 HA LEU 49 8.355 -28.030 60.686 388 HB2 LEU 49 HB2 LEU 49 9.936 -30.602 60.431 389 HB3 LEU 49 HB1 LEU 49 8.920 -30.113 61.786 390 HG LEU 49 HG LEU 49 7.950 -30.609 58.955 391 HD11 LEU 49 HD11 LEU 49 8.625 -32.663 60.183 392 HD12 LEU 49 HD12 LEU 49 6.885 -32.603 59.902 393 HD13 LEU 49 HD13 LEU 49 7.536 -32.215 61.496 394 HD21 LEU 49 HD21 LEU 49 6.611 -29.649 61.486 395 HD22 LEU 49 HD22 LEU 49 5.687 -30.560 60.290 396 HD23 LEU 49 HD23 LEU 49 6.443 -29.033 59.840 397 H ALA 50 HN ALA 50 10.659 -26.741 59.361 398 HA ALA 50 HA ALA 50 13.045 -27.194 60.798 399 HB1 ALA 50 HB1 ALA 50 12.096 -24.646 59.450 400 HB2 ALA 50 HB2 ALA 50 13.095 -25.909 58.731 401 HB3 ALA 50 HB3 ALA 50 13.729 -24.929 60.051 402 H ASP 51 HN ASP 51 10.202 -25.246 61.540 403 HA ASP 51 HA ASP 51 11.303 -23.714 63.625 404 HB2 ASP 51 HB2 ASP 51 8.462 -24.638 63.123 405 HB3 ASP 51 HB1 ASP 51 8.910 -23.573 64.454 406 H TYR 52 HN TYR 52 9.994 -27.007 63.597 407 HA TYR 52 HA TYR 52 11.353 -27.574 66.081 408 HB2 TYR 52 HB2 TYR 52 9.355 -28.272 67.317 409 HB3 TYR 52 HB1 TYR 52 9.262 -26.558 66.912 410 HD1 TYR 52 HD1 TYR 52 7.940 -29.916 66.185 411 HD2 TYR 52 HD2 TYR 52 7.707 -25.738 65.214 412 HE1 TYR 52 HE1 TYR 52 5.806 -30.314 64.983 413 HE2 TYR 52 HE2 TYR 52 5.576 -26.136 64.012 414 HH TYR 52 HH TYR 52 4.532 -28.363 62.812 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 -12.842 18.822 11.438 2 H2 GLY 1 HT2 GLY 1 -13.199 17.236 11.930 3 H3 GLY 1 HT3 GLY 1 -11.600 17.806 11.990 4 HA2 GLY 1 HA2 GLY 1 -12.138 18.049 14.172 5 HA3 GLY 1 HA1 GLY 1 -12.659 19.614 13.546 6 H SER 2 HN SER 2 -14.544 17.153 12.267 7 HA SER 2 HA SER 2 -16.891 18.013 13.644 8 HB2 SER 2 HB2 SER 2 -18.045 16.346 12.330 9 HB3 SER 2 HB1 SER 2 -16.857 17.142 11.302 10 HG SER 2 HG SER 2 -15.439 15.322 12.027 11 H VAL 3 HN VAL 3 -14.481 15.673 14.317 12 HA VAL 3 HA VAL 3 -14.229 14.144 16.037 13 HB VAL 3 HB VAL 3 -16.691 15.343 17.310 14 HG11 VAL 3 HG11 VAL 3 -14.113 14.135 18.360 15 HG12 VAL 3 HG12 VAL 3 -15.733 13.456 18.495 16 HG13 VAL 3 HG13 VAL 3 -15.316 14.924 19.375 17 HG21 VAL 3 HG21 VAL 3 -15.472 17.287 16.701 18 HG22 VAL 3 HG22 VAL 3 -13.920 16.514 17.014 19 HG23 VAL 3 HG23 VAL 3 -14.971 16.959 18.357 20 H GLU 4 HN GLU 4 -16.771 14.198 13.957 21 HA GLU 4 HA GLU 4 -18.530 12.257 15.012 22 HB2 GLU 4 HB2 GLU 4 -19.158 13.667 13.093 23 HB3 GLU 4 HB1 GLU 4 -17.962 12.854 12.087 24 HG2 GLU 4 HG2 GLU 4 -19.117 10.713 12.411 25 HG3 GLU 4 HG1 GLU 4 -20.289 11.493 13.471 26 H LYS 5 HN LYS 5 -15.539 11.944 13.123 27 HA LYS 5 HA LYS 5 -15.734 9.176 12.597 28 HB2 LYS 5 HB2 LYS 5 -14.071 10.637 11.489 29 HB3 LYS 5 HB1 LYS 5 -13.224 10.828 13.026 30 HG2 LYS 5 HG2 LYS 5 -12.802 8.405 13.112 31 HG3 LYS 5 HG1 LYS 5 -13.686 8.190 11.599 32 HD2 LYS 5 HD2 LYS 5 -12.061 9.640 10.441 33 HD3 LYS 5 HD1 LYS 5 -11.177 9.860 11.952 34 HE2 LYS 5 HE2 LYS 5 -10.750 7.436 12.064 35 HE3 LYS 5 HE1 LYS 5 -11.642 7.205 10.560 36 HZ1 LYS 5 HZ1 LYS 5 -9.104 8.681 10.955 37 HZ2 LYS 5 HZ2 LYS 5 -10.033 8.810 9.539 38 HZ3 LYS 5 HZ3 LYS 5 -9.372 7.311 9.992 39 H LEU 6 HN LEU 6 -14.311 10.962 15.309 40 HA LEU 6 HA LEU 6 -13.345 8.688 16.699 41 HB2 LEU 6 HB2 LEU 6 -14.062 11.460 17.698 42 HB3 LEU 6 HB1 LEU 6 -13.294 10.224 18.689 43 HG LEU 6 HG LEU 6 -12.163 11.233 16.062 44 HD11 LEU 6 HD11 LEU 6 -10.516 12.419 17.556 45 HD12 LEU 6 HD12 LEU 6 -11.554 12.021 18.923 46 HD13 LEU 6 HD13 LEU 6 -12.154 13.064 17.635 47 HD21 LEU 6 HD21 LEU 6 -11.262 9.253 18.146 48 HD22 LEU 6 HD22 LEU 6 -10.040 10.212 17.313 49 HD23 LEU 6 HD23 LEU 6 -11.118 9.174 16.391 50 H THR 7 HN THR 7 -16.477 10.299 16.639 51 HA THR 7 HA THR 7 -17.559 9.075 18.938 52 HB THR 7 HB THR 7 -18.957 10.082 16.451 53 HG1 THR 7 HG1 THR 7 -18.895 11.967 17.409 54 HG21 THR 7 HG21 THR 7 -20.472 8.632 17.603 55 HG22 THR 7 HG22 THR 7 -20.897 10.275 18.085 56 HG23 THR 7 HG23 THR 7 -19.965 9.248 19.175 57 H ALA 8 HN ALA 8 -17.486 8.036 15.527 58 HA ALA 8 HA ALA 8 -19.046 5.662 16.085 59 HB1 ALA 8 HB1 ALA 8 -19.057 6.817 13.848 60 HB2 ALA 8 HB2 ALA 8 -18.708 5.091 13.771 61 HB3 ALA 8 HB3 ALA 8 -17.398 6.259 13.615 62 H ASP 9 HN ASP 9 -15.767 6.602 16.284 63 HA ASP 9 HA ASP 9 -14.516 4.103 15.816 64 HB2 ASP 9 HB2 ASP 9 -13.619 6.483 17.455 65 HB3 ASP 9 HB1 ASP 9 -12.636 5.044 17.229 66 H ALA 10 HN ALA 10 -16.009 5.489 18.699 67 HA ALA 10 HA ALA 10 -15.054 3.585 20.556 68 HB1 ALA 10 HB1 ALA 10 -16.083 5.680 21.299 69 HB2 ALA 10 HB2 ALA 10 -16.928 4.298 21.990 70 HB3 ALA 10 HB3 ALA 10 -17.638 5.173 20.637 71 H GLU 11 HN GLU 11 -17.581 3.416 18.163 72 HA GLU 11 HA GLU 11 -19.071 1.285 19.310 73 HB2 GLU 11 HB2 GLU 11 -18.790 2.199 16.439 74 HB3 GLU 11 HB1 GLU 11 -19.854 0.886 16.937 75 HG2 GLU 11 HG2 GLU 11 -21.112 2.356 18.383 76 HG3 GLU 11 HG1 GLU 11 -19.973 3.673 18.122 77 H LEU 12 HN LEU 12 -16.092 1.386 17.522 78 HA LEU 12 HA LEU 12 -16.013 -1.295 16.629 79 HB2 LEU 12 HB2 LEU 12 -13.844 0.723 17.229 80 HB3 LEU 12 HB1 LEU 12 -13.463 -0.916 16.710 81 HG LEU 12 HG LEU 12 -14.731 -0.629 14.660 82 HD11 LEU 12 HD11 LEU 12 -16.566 0.736 15.284 83 HD12 LEU 12 HD12 LEU 12 -15.622 1.748 14.192 84 HD13 LEU 12 HD13 LEU 12 -15.516 1.994 15.935 85 HD21 LEU 12 HD21 LEU 12 -13.317 0.974 13.565 86 HD22 LEU 12 HD22 LEU 12 -12.355 0.267 14.864 87 HD23 LEU 12 HD23 LEU 12 -13.067 1.869 15.064 88 H GLN 13 HN GLN 13 -15.572 0.103 19.762 89 HA GLN 13 HA GLN 13 -13.919 -1.781 20.998 90 HB2 GLN 13 HB2 GLN 13 -14.804 -1.047 23.092 91 HB3 GLN 13 HB1 GLN 13 -14.811 0.360 22.036 92 HG2 GLN 13 HG2 GLN 13 -16.964 0.471 22.941 93 HG3 GLN 13 HG1 GLN 13 -17.270 -0.435 21.464 94 HE21 GLN 13 HE21 GLN 13 -19.134 -1.517 22.445 95 HE22 GLN 13 HE22 GLN 13 -18.921 -2.731 23.613 96 H ARG 14 HN ARG 14 -17.127 -2.109 19.804 97 HA ARG 14 HA ARG 14 -18.053 -4.211 21.444 98 HB2 ARG 14 HB2 ARG 14 -19.577 -2.991 19.954 99 HB3 ARG 14 HB1 ARG 14 -18.765 -3.663 18.540 100 HG2 ARG 14 HG2 ARG 14 -19.401 -5.918 19.183 101 HG3 ARG 14 HG1 ARG 14 -20.079 -5.330 20.702 102 HD2 ARG 14 HD2 ARG 14 -21.057 -4.467 17.969 103 HD3 ARG 14 HD1 ARG 14 -21.800 -5.751 18.918 104 HE ARG 14 HE ARG 14 -21.651 -3.479 20.550 105 HH11 ARG 14 HH11 ARG 14 -23.473 -2.149 20.797 106 HH12 ARG 14 HH12 ARG 14 -24.729 -2.178 19.604 107 HH21 ARG 14 HH21 ARG 14 -23.154 -4.548 17.622 108 HH22 ARG 14 HH22 ARG 14 -24.547 -3.536 17.806 109 H LEU 15 HN LEU 15 -16.025 -4.215 18.538 110 HA LEU 15 HA LEU 15 -16.029 -7.033 18.168 111 HB2 LEU 15 HB2 LEU 15 -14.009 -4.935 17.325 112 HB3 LEU 15 HB1 LEU 15 -13.975 -6.617 16.805 113 HG LEU 15 HG LEU 15 -16.324 -4.747 16.371 114 HD11 LEU 15 HD11 LEU 15 -14.283 -4.052 15.125 115 HD12 LEU 15 HD12 LEU 15 -15.568 -4.602 14.051 116 HD13 LEU 15 HD13 LEU 15 -14.202 -5.659 14.404 117 HD21 LEU 15 HD21 LEU 15 -17.245 -6.888 16.217 118 HD22 LEU 15 HD22 LEU 15 -15.737 -7.620 15.668 119 HD23 LEU 15 HD23 LEU 15 -16.710 -6.658 14.556 120 H LYS 16 HN LYS 16 -14.266 -4.886 20.272 121 HA LYS 16 HA LYS 16 -12.092 -6.573 20.891 122 HB2 LYS 16 HB2 LYS 16 -12.164 -4.175 21.515 123 HB3 LYS 16 HB1 LYS 16 -13.392 -4.528 22.727 124 HG2 LYS 16 HG2 LYS 16 -11.802 -6.133 23.807 125 HG3 LYS 16 HG1 LYS 16 -10.574 -5.642 22.645 126 HD2 LYS 16 HD2 LYS 16 -11.991 -3.652 24.426 127 HD3 LYS 16 HD1 LYS 16 -10.518 -4.479 24.930 128 HE2 LYS 16 HE2 LYS 16 -9.419 -3.610 22.820 129 HE3 LYS 16 HE1 LYS 16 -10.858 -2.629 22.552 130 HZ1 LYS 16 HZ1 LYS 16 -10.509 -1.484 24.575 131 HZ2 LYS 16 HZ2 LYS 16 -9.024 -1.484 23.751 132 HZ3 LYS 16 HZ3 LYS 16 -9.276 -2.544 25.054 133 H ASN 17 HN ASN 17 -15.389 -6.415 22.188 134 HA ASN 17 HA ASN 17 -14.984 -8.151 24.372 135 HB2 ASN 17 HB2 ASN 17 -17.479 -7.530 22.769 136 HB3 ASN 17 HB1 ASN 17 -17.473 -8.558 24.198 137 HD21 ASN 17 HD21 ASN 17 -16.064 -7.373 26.096 138 HD22 ASN 17 HD22 ASN 17 -16.519 -5.760 26.360 139 H GLU 18 HN GLU 18 -15.682 -8.784 20.958 140 HA GLU 18 HA GLU 18 -16.242 -11.542 21.238 141 HB2 GLU 18 HB2 GLU 18 -15.181 -9.976 18.865 142 HB3 GLU 18 HB1 GLU 18 -15.661 -11.671 18.800 143 HG2 GLU 18 HG2 GLU 18 -17.489 -9.465 19.773 144 HG3 GLU 18 HG1 GLU 18 -17.464 -10.042 18.107 145 H ALA 19 HN ALA 19 -13.218 -9.745 20.925 146 HA ALA 19 HA ALA 19 -11.528 -11.951 20.399 147 HB1 ALA 19 HB1 ALA 19 -9.691 -10.521 21.194 148 HB2 ALA 19 HB2 ALA 19 -10.854 -9.374 21.855 149 HB3 ALA 19 HB3 ALA 19 -10.757 -9.629 20.110 150 H ALA 20 HN ALA 20 -13.100 -10.868 23.288 151 HA ALA 20 HA ALA 20 -11.394 -12.041 25.215 152 HB1 ALA 20 HB1 ALA 20 -14.399 -11.651 25.392 153 HB2 ALA 20 HB2 ALA 20 -13.183 -10.449 25.831 154 HB3 ALA 20 HB3 ALA 20 -13.308 -11.952 26.742 155 H GLU 21 HN GLU 21 -13.686 -13.401 23.005 156 HA GLU 21 HA GLU 21 -14.240 -15.822 24.352 157 HB2 GLU 21 HB2 GLU 21 -15.556 -15.090 22.398 158 HB3 GLU 21 HB1 GLU 21 -14.161 -15.346 21.351 159 HG2 GLU 21 HG2 GLU 21 -14.131 -17.727 21.934 160 HG3 GLU 21 HG1 GLU 21 -15.481 -17.487 23.043 161 H GLU 22 HN GLU 22 -11.555 -14.850 22.254 162 HA GLU 22 HA GLU 22 -10.420 -17.411 21.933 163 HB2 GLU 22 HB2 GLU 22 -9.159 -14.658 21.850 164 HB3 GLU 22 HB1 GLU 22 -8.279 -16.141 21.490 165 HG2 GLU 22 HG2 GLU 22 -9.792 -16.671 19.674 166 HG3 GLU 22 HG1 GLU 22 -10.832 -15.309 20.091 167 H ALA 23 HN ALA 23 -10.142 -15.020 24.518 168 HA ALA 23 HA ALA 23 -7.947 -16.173 25.866 169 HB1 ALA 23 HB1 ALA 23 -8.749 -14.963 27.862 170 HB2 ALA 23 HB2 ALA 23 -10.267 -14.605 27.040 171 HB3 ALA 23 HB3 ALA 23 -8.754 -13.927 26.437 172 H GLU 24 HN GLU 24 -11.289 -17.100 25.663 173 HA GLU 24 HA GLU 24 -11.449 -18.662 28.014 174 HB2 GLU 24 HB2 GLU 24 -13.462 -18.037 26.733 175 HB3 GLU 24 HB1 GLU 24 -12.948 -19.062 25.396 176 HG2 GLU 24 HG2 GLU 24 -14.580 -20.253 26.762 177 HG3 GLU 24 HG1 GLU 24 -13.011 -21.033 26.925 178 H LEU 25 HN LEU 25 -10.255 -19.392 24.760 179 HA LEU 25 HA LEU 25 -9.942 -22.177 25.141 180 HB2 LEU 25 HB2 LEU 25 -8.520 -20.265 23.265 181 HB3 LEU 25 HB1 LEU 25 -8.311 -22.012 23.229 182 HG LEU 25 HG LEU 25 -10.994 -20.621 22.968 183 HD11 LEU 25 HD11 LEU 25 -10.789 -21.234 20.548 184 HD12 LEU 25 HD12 LEU 25 -9.117 -21.710 20.849 185 HD13 LEU 25 HD13 LEU 25 -9.608 -20.030 21.063 186 HD21 LEU 25 HD21 LEU 25 -10.067 -23.487 22.900 187 HD22 LEU 25 HD22 LEU 25 -11.408 -23.015 21.857 188 HD23 LEU 25 HD23 LEU 25 -11.533 -22.799 23.598 189 H GLU 26 HN GLU 26 -7.883 -19.421 25.926 190 HA GLU 26 HA GLU 26 -5.519 -20.875 26.461 191 HB2 GLU 26 HB2 GLU 26 -6.485 -18.226 27.573 192 HB3 GLU 26 HB1 GLU 26 -4.862 -18.875 27.802 193 HG2 GLU 26 HG2 GLU 26 -6.118 -18.429 25.083 194 HG3 GLU 26 HG1 GLU 26 -5.067 -17.258 25.876 195 H ARG 27 HN ARG 27 -8.434 -20.369 28.318 196 HA ARG 27 HA ARG 27 -7.399 -20.952 30.880 197 HB2 ARG 27 HB2 ARG 27 -10.192 -21.296 29.753 198 HB3 ARG 27 HB1 ARG 27 -9.776 -21.588 31.441 199 HG2 ARG 27 HG2 ARG 27 -8.977 -19.291 31.678 200 HG3 ARG 27 HG1 ARG 27 -9.297 -18.982 29.971 201 HD2 ARG 27 HD2 ARG 27 -11.140 -18.114 31.327 202 HD3 ARG 27 HD1 ARG 27 -11.697 -19.470 30.352 203 HE ARG 27 HE ARG 27 -12.010 -20.698 32.310 204 HH11 ARG 27 HH11 ARG 27 -12.107 -20.885 34.571 205 HH12 ARG 27 HH12 ARG 27 -11.341 -19.692 35.567 206 HH21 ARG 27 HH21 ARG 27 -10.180 -17.818 32.890 207 HH22 ARG 27 HH22 ARG 27 -10.250 -17.956 34.615 208 H LEU 28 HN LEU 28 -8.492 -23.047 28.249 209 HA LEU 28 HA LEU 28 -8.571 -25.443 29.735 210 HB2 LEU 28 HB2 LEU 28 -9.593 -25.311 27.516 211 HB3 LEU 28 HB1 LEU 28 -8.016 -25.070 26.770 212 HG LEU 28 HG LEU 28 -7.296 -27.297 27.588 213 HD11 LEU 28 HD11 LEU 28 -9.325 -28.777 28.372 214 HD12 LEU 28 HD12 LEU 28 -10.041 -27.233 28.834 215 HD13 LEU 28 HD13 LEU 28 -8.509 -27.745 29.541 216 HD21 LEU 28 HD21 LEU 28 -9.923 -27.298 26.068 217 HD22 LEU 28 HD22 LEU 28 -8.759 -28.622 26.093 218 HD23 LEU 28 HD23 LEU 28 -8.323 -27.079 25.360 219 H LYS 29 HN LYS 29 -5.913 -23.790 28.068 220 HA LYS 29 HA LYS 29 -4.015 -25.879 28.372 221 HB2 LYS 29 HB2 LYS 29 -3.656 -22.898 27.967 222 HB3 LYS 29 HB1 LYS 29 -2.326 -24.056 27.979 223 HG2 LYS 29 HG2 LYS 29 -3.370 -25.292 26.122 224 HG3 LYS 29 HG1 LYS 29 -4.710 -24.145 26.108 225 HD2 LYS 29 HD2 LYS 29 -3.143 -22.309 25.601 226 HD3 LYS 29 HD1 LYS 29 -1.800 -23.453 25.615 227 HE2 LYS 29 HE2 LYS 29 -2.827 -24.696 23.752 228 HE3 LYS 29 HE1 LYS 29 -4.180 -23.564 23.738 229 HZ1 LYS 29 HZ1 LYS 29 -2.774 -22.740 22.118 230 HZ2 LYS 29 HZ2 LYS 29 -1.365 -23.090 23.000 231 HZ3 LYS 29 HZ3 LYS 29 -2.363 -21.797 23.467 232 H SER 30 HN SER 30 -5.108 -23.327 30.523 233 HA SER 30 HA SER 30 -2.913 -23.345 32.305 234 HB2 SER 30 HB2 SER 30 -4.392 -22.244 33.882 235 HB3 SER 30 HB1 SER 30 -4.672 -21.586 32.272 236 HG SER 30 HG SER 30 -6.352 -22.926 33.925 237 H GLU 31 HN GLU 31 -5.484 -25.599 31.812 238 HA GLU 31 HA GLU 31 -5.590 -26.749 34.386 239 HB2 GLU 31 HB2 GLU 31 -6.190 -27.948 31.669 240 HB3 GLU 31 HB1 GLU 31 -6.455 -28.797 33.191 241 HG2 GLU 31 HG2 GLU 31 -7.937 -26.993 33.957 242 HG3 GLU 31 HG1 GLU 31 -7.661 -26.117 32.454 243 H ARG 32 HN ARG 32 -3.407 -27.302 31.655 244 HA ARG 32 HA ARG 32 -1.454 -28.540 31.494 245 HB2 ARG 32 HB2 ARG 32 -0.808 -26.976 33.302 246 HB3 ARG 32 HB1 ARG 32 -1.428 -28.118 34.494 247 HG2 ARG 32 HG2 ARG 32 0.186 -29.807 33.767 248 HG3 ARG 32 HG1 ARG 32 0.768 -28.733 32.495 249 HD2 ARG 32 HD2 ARG 32 1.507 -27.108 34.178 250 HD3 ARG 32 HD1 ARG 32 0.883 -28.137 35.464 251 HE ARG 32 HE ARG 32 2.741 -29.525 35.203 252 HH11 ARG 32 HH11 ARG 32 4.788 -29.997 34.342 253 HH12 ARG 32 HH12 ARG 32 5.341 -29.165 32.928 254 HH21 ARG 32 HH21 ARG 32 2.464 -27.257 32.602 255 HH22 ARG 32 HH22 ARG 32 4.025 -27.615 31.942 256 H HIS 33 HN HIS 33 -2.637 -30.447 30.861 257 HA HIS 33 HA HIS 33 -2.155 -32.652 32.673 258 HB2 HIS 33 HB2 HIS 33 -4.465 -33.494 32.638 259 HB3 HIS 33 HB1 HIS 33 -4.395 -31.899 33.387 260 HD2 HIS 33 HD2 HIS 33 -6.137 -33.633 30.416 261 HE1 HIS 33 HE1 HIS 33 -6.792 -29.487 29.954 262 HE2 HIS 33 HE2 HIS 33 -7.457 -31.790 29.119 263 H ASP 34 HN ASP 34 -2.853 -34.821 31.510 264 HA ASP 34 HA ASP 34 -2.584 -34.530 28.572 265 HB2 ASP 34 HB2 ASP 34 -1.066 -36.431 28.549 266 HB3 ASP 34 HB1 ASP 34 -0.416 -35.169 29.594 267 H HIS 35 HN HIS 35 -4.884 -35.047 30.440 268 HA HIS 35 HA HIS 35 -5.605 -37.822 29.866 269 HB2 HIS 35 HB2 HIS 35 -7.090 -35.622 31.325 270 HB3 HIS 35 HB1 HIS 35 -7.663 -37.280 31.149 271 HD2 HIS 35 HD2 HIS 35 -6.451 -39.138 32.869 272 HE1 HIS 35 HE1 HIS 35 -3.726 -36.461 34.669 273 HE2 HIS 35 HE2 HIS 35 -4.679 -38.814 34.761 274 H ASP 36 HN ASP 36 -5.660 -35.028 28.132 275 HA ASP 36 HA ASP 36 -8.265 -34.959 27.053 276 HB2 ASP 36 HB2 ASP 36 -5.614 -34.046 25.907 277 HB3 ASP 36 HB1 ASP 36 -7.151 -33.814 25.081 278 H LYS 37 HN LYS 37 -5.411 -36.866 26.169 279 HA LYS 37 HA LYS 37 -6.435 -37.904 23.740 280 HB2 LYS 37 HB2 LYS 37 -4.666 -39.586 23.950 281 HB3 LYS 37 HB1 LYS 37 -4.053 -37.980 24.329 282 HG2 LYS 37 HG2 LYS 37 -4.287 -38.443 26.740 283 HG3 LYS 37 HG1 LYS 37 -4.931 -40.042 26.378 284 HD2 LYS 37 HD2 LYS 37 -2.666 -40.482 26.813 285 HD3 LYS 37 HD1 LYS 37 -2.721 -40.400 25.055 286 HE2 LYS 37 HE2 LYS 37 -1.897 -38.103 25.093 287 HE3 LYS 37 HE1 LYS 37 -1.977 -38.071 26.853 288 HZ1 LYS 37 HZ1 LYS 37 0.117 -38.772 26.785 289 HZ2 LYS 37 HZ2 LYS 37 0.033 -39.169 25.136 290 HZ3 LYS 37 HZ3 LYS 37 -0.493 -40.281 26.308 291 H LYS 38 HN LYS 38 -7.287 -38.499 26.970 292 HA LYS 38 HA LYS 38 -7.957 -41.221 26.921 293 HB2 LYS 38 HB2 LYS 38 -7.896 -39.909 29.007 294 HB3 LYS 38 HB1 LYS 38 -9.336 -39.028 28.501 295 HG2 LYS 38 HG2 LYS 38 -10.620 -41.125 28.445 296 HG3 LYS 38 HG1 LYS 38 -9.176 -42.028 28.907 297 HD2 LYS 38 HD2 LYS 38 -9.057 -40.759 31.021 298 HD3 LYS 38 HD1 LYS 38 -10.502 -39.857 30.559 299 HE2 LYS 38 HE2 LYS 38 -11.800 -41.949 30.492 300 HE3 LYS 38 HE1 LYS 38 -10.359 -42.862 30.937 301 HZ1 LYS 38 HZ1 LYS 38 -10.278 -41.301 32.937 302 HZ2 LYS 38 HZ2 LYS 38 -11.455 -42.525 32.939 303 HZ3 LYS 38 HZ3 LYS 38 -11.887 -40.927 32.559 304 H GLU 39 HN GLU 39 -9.790 -38.412 25.752 305 HA GLU 39 HA GLU 39 -12.277 -39.676 25.433 306 HB2 GLU 39 HB2 GLU 39 -12.836 -37.917 23.889 307 HB3 GLU 39 HB1 GLU 39 -11.843 -37.210 25.161 308 HG2 GLU 39 HG2 GLU 39 -9.839 -37.566 23.643 309 HG3 GLU 39 HG1 GLU 39 -10.975 -37.989 22.367 310 H ALA 40 HN ALA 40 -9.322 -40.125 23.758 311 HA ALA 40 HA ALA 40 -10.286 -40.999 21.245 312 HB1 ALA 40 HB1 ALA 40 -7.903 -40.504 21.600 313 HB2 ALA 40 HB2 ALA 40 -8.117 -42.144 20.996 314 HB3 ALA 40 HB3 ALA 40 -7.770 -41.876 22.703 315 H GLU 41 HN GLU 41 -10.249 -42.485 24.368 316 HA GLU 41 HA GLU 41 -10.399 -45.197 23.599 317 HB2 GLU 41 HB2 GLU 41 -11.419 -43.773 26.073 318 HB3 GLU 41 HB1 GLU 41 -11.503 -45.520 25.851 319 HG2 GLU 41 HG2 GLU 41 -9.099 -45.674 25.640 320 HG3 GLU 41 HG1 GLU 41 -8.941 -43.919 25.651 321 H ARG 42 HN ARG 42 -12.849 -42.670 23.832 322 HA ARG 42 HA ARG 42 -15.126 -44.317 23.683 323 HB2 ARG 42 HB2 ARG 42 -15.280 -41.933 24.269 324 HB3 ARG 42 HB1 ARG 42 -14.820 -41.484 22.629 325 HG2 ARG 42 HG2 ARG 42 -16.808 -42.595 21.735 326 HG3 ARG 42 HG1 ARG 42 -17.253 -43.141 23.353 327 HD2 ARG 42 HD2 ARG 42 -18.540 -41.154 22.796 328 HD3 ARG 42 HD1 ARG 42 -17.405 -40.768 24.082 329 HE ARG 42 HE ARG 42 -17.165 -39.954 21.245 330 HH11 ARG 42 HH11 ARG 42 -15.924 -38.100 20.920 331 HH12 ARG 42 HH12 ARG 42 -15.042 -37.402 22.238 332 HH21 ARG 42 HH21 ARG 42 -16.072 -39.766 24.546 333 HH22 ARG 42 HH22 ARG 42 -15.130 -38.340 24.280 334 H LYS 43 HN LYS 43 -13.017 -43.026 21.141 335 HA LYS 43 HA LYS 43 -14.667 -43.807 18.957 336 HB2 LYS 43 HB2 LYS 43 -11.697 -43.241 19.116 337 HB3 LYS 43 HB1 LYS 43 -12.564 -43.550 17.612 338 HG2 LYS 43 HG2 LYS 43 -14.058 -41.645 18.071 339 HG3 LYS 43 HG1 LYS 43 -13.195 -41.328 19.576 340 HD2 LYS 43 HD2 LYS 43 -11.108 -40.967 18.296 341 HD3 LYS 43 HD1 LYS 43 -11.989 -41.253 16.795 342 HE2 LYS 43 HE2 LYS 43 -12.628 -39.062 18.791 343 HE3 LYS 43 HE1 LYS 43 -11.748 -38.828 17.280 344 HZ1 LYS 43 HZ1 LYS 43 -13.889 -38.333 16.669 345 HZ2 LYS 43 HZ2 LYS 43 -14.581 -39.496 17.696 346 HZ3 LYS 43 HZ3 LYS 43 -13.810 -39.977 16.260 347 H ALA 44 HN ALA 44 -12.487 -45.543 21.008 348 HA ALA 44 HA ALA 44 -11.756 -47.644 19.279 349 HB1 ALA 44 HB1 ALA 44 -11.290 -48.958 21.300 350 HB2 ALA 44 HB2 ALA 44 -12.152 -47.779 22.285 351 HB3 ALA 44 HB3 ALA 44 -10.662 -47.319 21.460 352 H LEU 45 HN LEU 45 -14.728 -47.030 21.014 353 HA LEU 45 HA LEU 45 -15.798 -49.640 20.925 354 HB2 LEU 45 HB2 LEU 45 -17.129 -46.926 21.083 355 HB3 LEU 45 HB1 LEU 45 -18.049 -48.427 21.044 356 HG LEU 45 HG LEU 45 -16.862 -49.234 23.035 357 HD11 LEU 45 HD11 LEU 45 -15.464 -47.413 24.263 358 HD12 LEU 45 HD12 LEU 45 -15.336 -46.654 22.677 359 HD13 LEU 45 HD13 LEU 45 -14.708 -48.281 22.930 360 HD21 LEU 45 HD21 LEU 45 -17.978 -46.427 23.338 361 HD22 LEU 45 HD22 LEU 45 -17.777 -47.586 24.652 362 HD23 LEU 45 HD23 LEU 45 -18.915 -47.921 23.348 363 H GLU 46 HN GLU 46 -15.787 -47.018 18.542 364 HA GLU 46 HA GLU 46 -17.655 -48.165 16.764 365 HB2 GLU 46 HB2 GLU 46 -15.376 -46.229 16.272 366 HB3 GLU 46 HB1 GLU 46 -16.513 -46.728 15.022 367 HG2 GLU 46 HG2 GLU 46 -18.384 -45.865 16.296 368 HG3 GLU 46 HG1 GLU 46 -17.337 -45.509 17.669 369 H ASP 47 HN ASP 47 -14.172 -48.654 17.166 370 HA ASP 47 HA ASP 47 -13.739 -50.108 14.790 371 HB2 ASP 47 HB2 ASP 47 -12.284 -50.154 17.446 372 HB3 ASP 47 HB1 ASP 47 -11.767 -51.090 16.047 373 H LYS 48 HN LYS 48 -14.919 -51.102 17.973 374 HA LYS 48 HA LYS 48 -14.745 -53.888 17.555 375 HB2 LYS 48 HB2 LYS 48 -15.126 -52.942 19.794 376 HB3 LYS 48 HB1 LYS 48 -16.725 -52.383 19.304 377 HG2 LYS 48 HG2 LYS 48 -17.415 -54.706 18.867 378 HG3 LYS 48 HG1 LYS 48 -15.807 -55.273 19.315 379 HD2 LYS 48 HD2 LYS 48 -16.103 -54.385 21.583 380 HD3 LYS 48 HD1 LYS 48 -17.688 -53.751 21.142 381 HE2 LYS 48 HE2 LYS 48 -17.943 -55.890 22.311 382 HE3 LYS 48 HE1 LYS 48 -18.448 -56.058 20.631 383 HZ1 LYS 48 HZ1 LYS 48 -16.840 -57.519 20.241 384 HZ2 LYS 48 HZ2 LYS 48 -16.600 -57.597 21.922 385 HZ3 LYS 48 HZ3 LYS 48 -15.656 -56.549 20.972 386 H LEU 49 HN LEU 49 -17.264 -51.533 16.704 387 HA LEU 49 HA LEU 49 -19.045 -53.599 15.709 388 HB2 LEU 49 HB2 LEU 49 -19.177 -50.585 15.428 389 HB3 LEU 49 HB1 LEU 49 -20.462 -51.717 15.014 390 HG LEU 49 HG LEU 49 -19.268 -51.381 17.783 391 HD11 LEU 49 HD11 LEU 49 -21.814 -50.357 16.506 392 HD12 LEU 49 HD12 LEU 49 -20.541 -49.417 17.284 393 HD13 LEU 49 HD13 LEU 49 -21.595 -50.446 18.254 394 HD21 LEU 49 HD21 LEU 49 -20.094 -53.574 17.767 395 HD22 LEU 49 HD22 LEU 49 -21.362 -53.201 16.599 396 HD23 LEU 49 HD23 LEU 49 -21.523 -52.682 18.276 397 H ALA 50 HN ALA 50 -16.331 -51.963 14.545 398 HA ALA 50 HA ALA 50 -17.010 -51.649 11.810 399 HB1 ALA 50 HB1 ALA 50 -15.003 -50.599 12.863 400 HB2 ALA 50 HB2 ALA 50 -14.629 -51.473 11.380 401 HB3 ALA 50 HB3 ALA 50 -14.250 -52.193 12.944 402 H ASP 51 HN ASP 51 -16.186 -54.427 13.710 403 HA ASP 51 HA ASP 51 -15.235 -56.131 11.674 404 HB2 ASP 51 HB2 ASP 51 -15.887 -57.967 13.205 405 HB3 ASP 51 HB1 ASP 51 -14.983 -56.697 14.026 406 H TYR 52 HN TYR 52 -18.511 -55.329 12.737 407 HA TYR 52 HA TYR 52 -19.726 -57.289 10.969 408 HB2 TYR 52 HB2 TYR 52 -20.977 -55.040 12.570 409 HB3 TYR 52 HB1 TYR 52 -21.861 -56.296 11.706 410 HD1 TYR 52 HD1 TYR 52 -20.137 -55.436 14.753 411 HD2 TYR 52 HD2 TYR 52 -21.443 -58.737 12.336 412 HE1 TYR 52 HE1 TYR 52 -19.905 -56.953 16.701 413 HE2 TYR 52 HE2 TYR 52 -21.212 -60.255 14.283 414 HH TYR 52 HH TYR 52 -20.041 -59.043 17.428 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 -36.593 0.719 3.308 2 H2 GLY 1 HT2 GLY 1 -37.557 2.003 3.865 3 H3 GLY 1 HT3 GLY 1 -38.277 0.535 3.403 4 HA2 GLY 1 HA2 GLY 1 -37.782 1.157 5.927 5 HA3 GLY 1 HA1 GLY 1 -37.789 -0.502 5.328 6 H SER 2 HN SER 2 -35.465 2.163 4.907 7 HA SER 2 HA SER 2 -33.214 0.425 5.263 8 HB2 SER 2 HB2 SER 2 -31.877 2.427 4.989 9 HB3 SER 2 HB1 SER 2 -33.189 2.454 3.814 10 HG SER 2 HG SER 2 -34.345 3.718 5.467 11 H VAL 3 HN VAL 3 -35.297 1.955 7.418 12 HA VAL 3 HA VAL 3 -33.525 2.710 9.484 13 HB VAL 3 HB VAL 3 -36.456 1.941 9.561 14 HG11 VAL 3 HG11 VAL 3 -34.600 2.855 11.771 15 HG12 VAL 3 HG12 VAL 3 -35.649 1.438 11.758 16 HG13 VAL 3 HG13 VAL 3 -36.350 3.053 11.859 17 HG21 VAL 3 HG21 VAL 3 -34.921 4.557 9.706 18 HG22 VAL 3 HG22 VAL 3 -36.645 4.413 10.036 19 HG23 VAL 3 HG23 VAL 3 -36.026 4.045 8.429 20 H GLU 4 HN GLU 4 -35.086 -0.408 8.774 21 HA GLU 4 HA GLU 4 -34.368 -1.691 11.182 22 HB2 GLU 4 HB2 GLU 4 -34.883 -3.759 10.071 23 HB3 GLU 4 HB1 GLU 4 -36.033 -2.551 9.515 24 HG2 GLU 4 HG2 GLU 4 -35.381 -3.539 7.498 25 HG3 GLU 4 HG1 GLU 4 -34.302 -2.152 7.582 26 H LYS 5 HN LYS 5 -32.467 -0.845 8.415 27 HA LYS 5 HA LYS 5 -30.453 -2.821 8.601 28 HB2 LYS 5 HB2 LYS 5 -30.318 0.042 7.624 29 HB3 LYS 5 HB1 LYS 5 -28.992 -1.107 7.481 30 HG2 LYS 5 HG2 LYS 5 -30.430 -2.631 6.189 31 HG3 LYS 5 HG1 LYS 5 -31.770 -1.494 6.332 32 HD2 LYS 5 HD2 LYS 5 -30.480 0.209 5.122 33 HD3 LYS 5 HD1 LYS 5 -29.107 -0.894 5.009 34 HE2 LYS 5 HE2 LYS 5 -30.378 -0.938 2.915 35 HE3 LYS 5 HE1 LYS 5 -30.524 -2.491 3.736 36 HZ1 LYS 5 HZ1 LYS 5 -32.634 -1.655 4.703 37 HZ2 LYS 5 HZ2 LYS 5 -32.676 -1.826 3.015 38 HZ3 LYS 5 HZ3 LYS 5 -32.508 -0.286 3.712 39 H LEU 6 HN LEU 6 -30.895 0.277 10.232 40 HA LEU 6 HA LEU 6 -28.390 0.364 11.532 41 HB2 LEU 6 HB2 LEU 6 -31.050 1.612 12.281 42 HB3 LEU 6 HB1 LEU 6 -29.547 1.929 13.139 43 HG LEU 6 HG LEU 6 -29.911 2.354 10.159 44 HD11 LEU 6 HD11 LEU 6 -29.999 4.380 12.415 45 HD12 LEU 6 HD12 LEU 6 -31.394 3.830 11.484 46 HD13 LEU 6 HD13 LEU 6 -30.109 4.743 10.693 47 HD21 LEU 6 HD21 LEU 6 -27.674 2.823 12.123 48 HD22 LEU 6 HD22 LEU 6 -27.864 3.950 10.783 49 HD23 LEU 6 HD23 LEU 6 -27.599 2.241 10.461 50 H THR 7 HN THR 7 -31.441 -1.202 12.391 51 HA THR 7 HA THR 7 -30.773 -1.832 15.062 52 HB THR 7 HB THR 7 -32.607 -3.282 13.145 53 HG1 THR 7 HG1 THR 7 -32.956 -1.214 15.038 54 HG21 THR 7 HG21 THR 7 -32.180 -3.468 16.128 55 HG22 THR 7 HG22 THR 7 -32.127 -4.773 14.942 56 HG23 THR 7 HG23 THR 7 -33.666 -4.014 15.350 57 H ALA 8 HN ALA 8 -30.189 -3.551 11.998 58 HA ALA 8 HA ALA 8 -29.191 -5.934 13.172 59 HB1 ALA 8 HB1 ALA 8 -28.233 -6.421 10.971 60 HB2 ALA 8 HB2 ALA 8 -28.512 -4.758 10.456 61 HB3 ALA 8 HB3 ALA 8 -29.881 -5.821 10.795 62 H ASP 9 HN ASP 9 -27.872 -2.792 12.744 63 HA ASP 9 HA ASP 9 -25.113 -3.443 12.714 64 HB2 ASP 9 HB2 ASP 9 -25.999 -1.163 12.181 65 HB3 ASP 9 HB1 ASP 9 -26.322 -0.925 13.896 66 H ALA 10 HN ALA 10 -27.425 -3.083 15.358 67 HA ALA 10 HA ALA 10 -25.566 -3.041 17.476 68 HB1 ALA 10 HB1 ALA 10 -27.484 -3.973 18.863 69 HB2 ALA 10 HB2 ALA 10 -28.449 -3.970 17.389 70 HB3 ALA 10 HB3 ALA 10 -27.806 -2.457 18.027 71 H GLU 11 HN GLU 11 -26.984 -5.742 15.667 72 HA GLU 11 HA GLU 11 -26.067 -7.794 17.375 73 HB2 GLU 11 HB2 GLU 11 -27.768 -8.197 15.623 74 HB3 GLU 11 HB1 GLU 11 -26.553 -7.945 14.375 75 HG2 GLU 11 HG2 GLU 11 -26.851 -10.335 14.777 76 HG3 GLU 11 HG1 GLU 11 -25.245 -9.844 15.300 77 H LEU 12 HN LEU 12 -24.526 -6.061 14.702 78 HA LEU 12 HA LEU 12 -22.228 -7.715 14.535 79 HB2 LEU 12 HB2 LEU 12 -22.662 -4.824 13.733 80 HB3 LEU 12 HB1 LEU 12 -21.158 -5.690 13.447 81 HG LEU 12 HG LEU 12 -23.864 -6.656 12.469 82 HD11 LEU 12 HD11 LEU 12 -23.227 -5.777 10.282 83 HD12 LEU 12 HD12 LEU 12 -21.698 -5.189 10.936 84 HD13 LEU 12 HD13 LEU 12 -23.219 -4.470 11.467 85 HD21 LEU 12 HD21 LEU 12 -22.490 -8.543 12.404 86 HD22 LEU 12 HD22 LEU 12 -21.019 -7.604 12.166 87 HD23 LEU 12 HD23 LEU 12 -22.138 -7.847 10.826 88 H GLN 13 HN GLN 13 -23.062 -4.964 16.573 89 HA GLN 13 HA GLN 13 -20.470 -4.495 17.601 90 HB2 GLN 13 HB2 GLN 13 -23.202 -3.899 18.765 91 HB3 GLN 13 HB1 GLN 13 -21.694 -3.442 19.554 92 HG2 GLN 13 HG2 GLN 13 -21.027 -2.168 17.551 93 HG3 GLN 13 HG1 GLN 13 -22.533 -2.619 16.757 94 HE21 GLN 13 HE21 GLN 13 -23.661 -0.639 16.705 95 HE22 GLN 13 HE22 GLN 13 -23.996 0.296 18.081 96 H ARG 14 HN ARG 14 -23.023 -6.753 18.554 97 HA ARG 14 HA ARG 14 -21.819 -7.570 20.995 98 HB2 ARG 14 HB2 ARG 14 -23.700 -9.094 19.164 99 HB3 ARG 14 HB1 ARG 14 -23.310 -9.536 20.821 100 HG2 ARG 14 HG2 ARG 14 -24.530 -6.863 20.087 101 HG3 ARG 14 HG1 ARG 14 -25.500 -8.272 20.499 102 HD2 ARG 14 HD2 ARG 14 -24.292 -8.393 22.694 103 HD3 ARG 14 HD1 ARG 14 -23.476 -6.889 22.289 104 HE ARG 14 HE ARG 14 -26.266 -7.190 23.047 105 HH11 ARG 14 HH11 ARG 14 -27.365 -5.232 23.392 106 HH12 ARG 14 HH12 ARG 14 -26.650 -3.740 22.879 107 HH21 ARG 14 HH21 ARG 14 -23.789 -5.239 21.615 108 HH22 ARG 14 HH22 ARG 14 -24.625 -3.745 21.874 109 H LEU 15 HN LEU 15 -21.230 -8.343 17.664 110 HA LEU 15 HA LEU 15 -19.770 -10.774 18.187 111 HB2 LEU 15 HB2 LEU 15 -19.796 -8.991 15.735 112 HB3 LEU 15 HB1 LEU 15 -19.093 -10.604 15.823 113 HG LEU 15 HG LEU 15 -22.016 -9.956 16.321 114 HD11 LEU 15 HD11 LEU 15 -21.134 -9.700 13.936 115 HD12 LEU 15 HD12 LEU 15 -22.460 -10.843 14.147 116 HD13 LEU 15 HD13 LEU 15 -20.808 -11.433 13.971 117 HD21 LEU 15 HD21 LEU 15 -22.052 -12.580 15.930 118 HD22 LEU 15 HD22 LEU 15 -21.652 -11.936 17.518 119 HD23 LEU 15 HD23 LEU 15 -20.366 -12.478 16.441 120 H LYS 16 HN LYS 16 -19.115 -7.449 18.447 121 HA LYS 16 HA LYS 16 -16.366 -7.381 17.826 122 HB2 LYS 16 HB2 LYS 16 -17.677 -5.319 18.123 123 HB3 LYS 16 HB1 LYS 16 -17.855 -5.661 19.842 124 HG2 LYS 16 HG2 LYS 16 -15.418 -5.561 20.135 125 HG3 LYS 16 HG1 LYS 16 -15.213 -5.275 18.407 126 HD2 LYS 16 HD2 LYS 16 -16.534 -3.193 18.603 127 HD3 LYS 16 HD1 LYS 16 -16.707 -3.473 20.336 128 HE2 LYS 16 HE2 LYS 16 -14.056 -3.163 18.897 129 HE3 LYS 16 HE1 LYS 16 -14.857 -1.887 19.814 130 HZ1 LYS 16 HZ1 LYS 16 -13.557 -2.741 21.440 131 HZ2 LYS 16 HZ2 LYS 16 -13.510 -4.297 20.761 132 HZ3 LYS 16 HZ3 LYS 16 -14.879 -3.785 21.627 133 H ASN 17 HN ASN 17 -18.071 -8.289 20.801 134 HA ASN 17 HA ASN 17 -15.600 -8.604 22.286 135 HB2 ASN 17 HB2 ASN 17 -17.017 -9.327 24.107 136 HB3 ASN 17 HB1 ASN 17 -17.730 -7.896 23.368 137 HD21 ASN 17 HD21 ASN 17 -19.719 -8.975 24.546 138 HD22 ASN 17 HD22 ASN 17 -20.623 -10.069 23.614 139 H GLU 18 HN GLU 18 -16.854 -10.321 19.842 140 HA GLU 18 HA GLU 18 -16.892 -12.983 20.788 141 HB2 GLU 18 HB2 GLU 18 -17.837 -12.377 18.591 142 HB3 GLU 18 HB1 GLU 18 -16.225 -12.012 17.983 143 HG2 GLU 18 HG2 GLU 18 -16.882 -14.255 17.285 144 HG3 GLU 18 HG1 GLU 18 -15.551 -14.368 18.429 145 H ALA 19 HN ALA 19 -14.252 -10.917 19.647 146 HA ALA 19 HA ALA 19 -12.268 -12.917 19.482 147 HB1 ALA 19 HB1 ALA 19 -11.902 -10.682 18.538 148 HB2 ALA 19 HB2 ALA 19 -10.633 -11.081 19.695 149 HB3 ALA 19 HB3 ALA 19 -11.927 -9.976 20.156 150 H ALA 20 HN ALA 20 -13.707 -11.282 22.199 151 HA ALA 20 HA ALA 20 -11.672 -11.757 24.113 152 HB1 ALA 20 HB1 ALA 20 -13.377 -11.395 25.808 153 HB2 ALA 20 HB2 ALA 20 -14.660 -11.626 24.625 154 HB3 ALA 20 HB3 ALA 20 -13.599 -10.222 24.512 155 H GLU 21 HN GLU 21 -14.004 -13.826 22.616 156 HA GLU 21 HA GLU 21 -14.142 -15.859 24.573 157 HB2 GLU 21 HB2 GLU 21 -15.727 -15.774 22.688 158 HB3 GLU 21 HB1 GLU 21 -14.426 -16.138 21.557 159 HG2 GLU 21 HG2 GLU 21 -15.663 -18.176 22.078 160 HG3 GLU 21 HG1 GLU 21 -14.037 -18.296 22.740 161 H GLU 22 HN GLU 22 -11.814 -15.218 21.979 162 HA GLU 22 HA GLU 22 -10.411 -17.660 22.159 163 HB2 GLU 22 HB2 GLU 22 -9.510 -14.914 21.243 164 HB3 GLU 22 HB1 GLU 22 -8.493 -16.351 21.155 165 HG2 GLU 22 HG2 GLU 22 -10.093 -17.470 19.723 166 HG3 GLU 22 HG1 GLU 22 -11.252 -16.158 19.921 167 H ALA 23 HN ALA 23 -10.178 -14.656 24.007 168 HA ALA 23 HA ALA 23 -7.755 -15.233 25.333 169 HB1 ALA 23 HB1 ALA 23 -10.106 -13.509 26.170 170 HB2 ALA 23 HB2 ALA 23 -8.561 -12.992 25.496 171 HB3 ALA 23 HB3 ALA 23 -8.631 -13.663 27.124 172 H GLU 24 HN GLU 24 -11.080 -16.219 25.975 173 HA GLU 24 HA GLU 24 -10.677 -17.268 28.573 174 HB2 GLU 24 HB2 GLU 24 -12.702 -17.962 26.432 175 HB3 GLU 24 HB1 GLU 24 -12.746 -18.605 28.073 176 HG2 GLU 24 HG2 GLU 24 -12.923 -16.360 29.000 177 HG3 GLU 24 HG1 GLU 24 -12.751 -15.651 27.396 178 H LEU 25 HN LEU 25 -9.718 -18.393 25.485 179 HA LEU 25 HA LEU 25 -9.755 -21.165 25.841 180 HB2 LEU 25 HB2 LEU 25 -9.309 -20.149 23.654 181 HB3 LEU 25 HB1 LEU 25 -7.765 -19.530 24.234 182 HG LEU 25 HG LEU 25 -6.982 -21.846 24.624 183 HD11 LEU 25 HD11 LEU 25 -8.871 -23.162 25.077 184 HD12 LEU 25 HD12 LEU 25 -8.499 -23.632 23.422 185 HD13 LEU 25 HD13 LEU 25 -9.794 -22.478 23.739 186 HD21 LEU 25 HD21 LEU 25 -6.711 -20.648 22.410 187 HD22 LEU 25 HD22 LEU 25 -8.120 -21.537 21.833 188 HD23 LEU 25 HD23 LEU 25 -6.659 -22.408 22.303 189 H GLU 26 HN GLU 26 -7.385 -18.784 26.980 190 HA GLU 26 HA GLU 26 -5.309 -20.538 27.644 191 HB2 GLU 26 HB2 GLU 26 -4.497 -18.841 29.135 192 HB3 GLU 26 HB1 GLU 26 -5.200 -18.020 27.745 193 HG2 GLU 26 HG2 GLU 26 -7.351 -17.835 29.093 194 HG3 GLU 26 HG1 GLU 26 -6.431 -18.391 30.487 195 H ARG 27 HN ARG 27 -8.434 -20.232 29.025 196 HA ARG 27 HA ARG 27 -7.898 -21.086 31.662 197 HB2 ARG 27 HB2 ARG 27 -10.397 -21.363 29.968 198 HB3 ARG 27 HB1 ARG 27 -10.307 -21.840 31.661 199 HG2 ARG 27 HG2 ARG 27 -9.734 -19.584 32.331 200 HG3 ARG 27 HG1 ARG 27 -9.618 -19.070 30.647 201 HD2 ARG 27 HD2 ARG 27 -11.777 -18.385 31.574 202 HD3 ARG 27 HD1 ARG 27 -12.018 -19.613 30.334 203 HE ARG 27 HE ARG 27 -11.798 -20.813 32.913 204 HH11 ARG 27 HH11 ARG 27 -13.708 -21.614 33.850 205 HH12 ARG 27 HH12 ARG 27 -15.245 -21.076 33.260 206 HH21 ARG 27 HH21 ARG 27 -13.890 -18.980 30.855 207 HH22 ARG 27 HH22 ARG 27 -15.349 -19.586 31.565 208 H LEU 28 HN LEU 28 -8.398 -22.888 28.651 209 HA LEU 28 HA LEU 28 -8.362 -25.455 30.009 210 HB2 LEU 28 HB2 LEU 28 -8.214 -24.789 27.055 211 HB3 LEU 28 HB1 LEU 28 -8.453 -26.394 27.739 212 HG LEU 28 HG LEU 28 -10.316 -24.037 28.156 213 HD11 LEU 28 HD11 LEU 28 -11.853 -25.524 26.743 214 HD12 LEU 28 HD12 LEU 28 -10.403 -26.429 26.309 215 HD13 LEU 28 HD13 LEU 28 -10.537 -24.723 25.884 216 HD21 LEU 28 HD21 LEU 28 -10.672 -25.393 30.031 217 HD22 LEU 28 HD22 LEU 28 -10.252 -26.876 29.171 218 HD23 LEU 28 HD23 LEU 28 -11.811 -26.099 28.889 219 H LYS 29 HN LYS 29 -6.061 -23.226 28.874 220 HA LYS 29 HA LYS 29 -4.005 -24.953 28.014 221 HB2 LYS 29 HB2 LYS 29 -3.915 -22.525 27.606 222 HB3 LYS 29 HB1 LYS 29 -3.697 -22.232 29.330 223 HG2 LYS 29 HG2 LYS 29 -1.607 -23.531 29.301 224 HG3 LYS 29 HG1 LYS 29 -1.829 -23.858 27.582 225 HD2 LYS 29 HD2 LYS 29 -1.741 -21.439 27.108 226 HD3 LYS 29 HD1 LYS 29 -1.522 -21.109 28.826 227 HE2 LYS 29 HE2 LYS 29 0.573 -22.408 28.817 228 HE3 LYS 29 HE1 LYS 29 0.355 -22.752 27.101 229 HZ1 LYS 29 HZ1 LYS 29 0.163 -20.150 27.004 230 HZ2 LYS 29 HZ2 LYS 29 1.675 -20.925 26.972 231 HZ3 LYS 29 HZ3 LYS 29 1.095 -20.247 28.418 232 H SER 30 HN SER 30 -4.930 -23.853 31.261 233 HA SER 30 HA SER 30 -2.669 -24.828 32.632 234 HB2 SER 30 HB2 SER 30 -4.085 -24.755 34.628 235 HB3 SER 30 HB1 SER 30 -4.327 -23.310 33.651 236 HG SER 30 HG SER 30 -5.991 -25.554 34.003 237 H GLU 31 HN GLU 31 -5.600 -26.391 31.494 238 HA GLU 31 HA GLU 31 -5.330 -28.800 32.953 239 HB2 GLU 31 HB2 GLU 31 -7.439 -28.196 31.831 240 HB3 GLU 31 HB1 GLU 31 -6.675 -28.402 30.257 241 HG2 GLU 31 HG2 GLU 31 -6.232 -30.763 30.756 242 HG3 GLU 31 HG1 GLU 31 -6.929 -30.567 32.363 243 H ARG 32 HN ARG 32 -3.993 -27.758 29.834 244 HA ARG 32 HA ARG 32 -2.144 -30.061 29.937 245 HB2 ARG 32 HB2 ARG 32 -3.963 -30.624 28.355 246 HB3 ARG 32 HB1 ARG 32 -3.628 -29.145 27.458 247 HG2 ARG 32 HG2 ARG 32 -1.352 -29.923 26.971 248 HG3 ARG 32 HG1 ARG 32 -1.630 -31.381 27.926 249 HD2 ARG 32 HD2 ARG 32 -3.431 -32.054 26.394 250 HD3 ARG 32 HD1 ARG 32 -3.194 -30.584 25.454 251 HE ARG 32 HE ARG 32 -0.735 -31.946 25.598 252 HH11 ARG 32 HH11 ARG 32 -0.064 -33.198 23.825 253 HH12 ARG 32 HH12 ARG 32 -1.232 -33.753 22.673 254 HH21 ARG 32 HH21 ARG 32 -3.921 -32.279 24.290 255 HH22 ARG 32 HH22 ARG 32 -3.415 -33.233 22.937 256 H HIS 33 HN HIS 33 -0.090 -29.484 29.601 257 HA HIS 33 HA HIS 33 0.681 -26.777 29.380 258 HB2 HIS 33 HB2 HIS 33 2.260 -29.317 28.897 259 HB3 HIS 33 HB1 HIS 33 2.971 -27.708 28.995 260 HD2 HIS 33 HD2 HIS 33 1.972 -30.530 31.369 261 HE1 HIS 33 HE1 HIS 33 2.359 -27.077 33.768 262 HE2 HIS 33 HE2 HIS 33 2.110 -29.604 33.808 263 H ASP 34 HN ASP 34 0.478 -29.384 27.004 264 HA ASP 34 HA ASP 34 0.611 -29.386 24.690 265 HB2 ASP 34 HB2 ASP 34 -1.435 -27.971 25.147 266 HB3 ASP 34 HB1 ASP 34 -0.411 -26.553 24.928 267 H HIS 35 HN HIS 35 2.998 -28.514 26.142 268 HA HIS 35 HA HIS 35 4.220 -26.743 24.091 269 HB2 HIS 35 HB2 HIS 35 4.978 -27.078 27.004 270 HB3 HIS 35 HB1 HIS 35 5.887 -26.134 25.826 271 HD2 HIS 35 HD2 HIS 35 3.177 -25.480 28.355 272 HE1 HIS 35 HE1 HIS 35 2.612 -22.543 25.378 273 HE2 HIS 35 HE2 HIS 35 1.984 -23.244 27.736 274 H ASP 36 HN ASP 36 3.854 -29.802 24.488 275 HA ASP 36 HA ASP 36 6.617 -30.722 24.618 276 HB2 ASP 36 HB2 ASP 36 5.668 -32.945 24.412 277 HB3 ASP 36 HB1 ASP 36 4.760 -32.036 25.618 278 H LYS 37 HN LYS 37 4.892 -29.207 22.300 279 HA LYS 37 HA LYS 37 5.596 -30.896 20.031 280 HB2 LYS 37 HB2 LYS 37 4.350 -28.138 20.168 281 HB3 LYS 37 HB1 LYS 37 4.598 -29.061 18.687 282 HG2 LYS 37 HG2 LYS 37 3.193 -30.882 19.580 283 HG3 LYS 37 HG1 LYS 37 2.938 -29.959 21.061 284 HD2 LYS 37 HD2 LYS 37 1.904 -28.138 19.732 285 HD3 LYS 37 HD1 LYS 37 2.120 -29.099 18.270 286 HE2 LYS 37 HE2 LYS 37 0.506 -29.960 20.689 287 HE3 LYS 37 HE1 LYS 37 -0.176 -29.321 19.194 288 HZ1 LYS 37 HZ1 LYS 37 1.585 -31.704 19.289 289 HZ2 LYS 37 HZ2 LYS 37 0.649 -31.159 17.981 290 HZ3 LYS 37 HZ3 LYS 37 -0.107 -31.799 19.363 291 H LYS 38 HN LYS 38 7.072 -28.436 21.872 292 HA LYS 38 HA LYS 38 8.616 -27.125 19.917 293 HB2 LYS 38 HB2 LYS 38 10.042 -26.416 21.760 294 HB3 LYS 38 HB1 LYS 38 8.349 -26.309 22.240 295 HG2 LYS 38 HG2 LYS 38 8.546 -28.511 23.369 296 HG3 LYS 38 HG1 LYS 38 10.252 -28.572 22.929 297 HD2 LYS 38 HD2 LYS 38 10.662 -26.493 24.189 298 HD3 LYS 38 HD1 LYS 38 8.958 -26.432 24.641 299 HE2 LYS 38 HE2 LYS 38 9.177 -28.603 25.791 300 HE3 LYS 38 HE1 LYS 38 10.880 -28.671 25.339 301 HZ1 LYS 38 HZ1 LYS 38 11.123 -26.491 26.520 302 HZ2 LYS 38 HZ2 LYS 38 10.791 -27.825 27.521 303 HZ3 LYS 38 HZ3 LYS 38 9.558 -26.719 27.133 304 H GLU 39 HN GLU 39 8.874 -30.287 21.290 305 HA GLU 39 HA GLU 39 11.641 -30.741 20.896 306 HB2 GLU 39 HB2 GLU 39 11.114 -33.098 21.060 307 HB3 GLU 39 HB1 GLU 39 10.133 -32.222 22.233 308 HG2 GLU 39 HG2 GLU 39 8.269 -32.197 20.535 309 HG3 GLU 39 HG1 GLU 39 9.247 -33.259 19.526 310 H ALA 40 HN ALA 40 8.988 -30.516 18.715 311 HA ALA 40 HA ALA 40 10.017 -32.069 16.572 312 HB1 ALA 40 HB1 ALA 40 8.161 -29.672 16.438 313 HB2 ALA 40 HB2 ALA 40 7.656 -31.350 16.638 314 HB3 ALA 40 HB3 ALA 40 8.441 -30.839 15.146 315 H GLU 41 HN GLU 41 10.822 -28.950 17.805 316 HA GLU 41 HA GLU 41 11.910 -27.784 15.479 317 HB2 GLU 41 HB2 GLU 41 12.560 -27.346 18.408 318 HB3 GLU 41 HB1 GLU 41 13.278 -26.406 17.100 319 HG2 GLU 41 HG2 GLU 41 11.101 -25.640 16.371 320 HG3 GLU 41 HG1 GLU 41 10.294 -26.703 17.523 321 H ARG 42 HN ARG 42 13.279 -30.049 17.837 322 HA ARG 42 HA ARG 42 15.957 -29.865 16.951 323 HB2 ARG 42 HB2 ARG 42 14.480 -32.117 18.342 324 HB3 ARG 42 HB1 ARG 42 16.206 -32.155 17.988 325 HG2 ARG 42 HG2 ARG 42 16.533 -30.090 19.280 326 HG3 ARG 42 HG1 ARG 42 14.803 -30.017 19.616 327 HD2 ARG 42 HD2 ARG 42 14.931 -32.189 20.776 328 HD3 ARG 42 HD1 ARG 42 16.657 -32.269 20.439 329 HE ARG 42 HE ARG 42 16.124 -29.850 21.780 330 HH11 ARG 42 HH11 ARG 42 16.554 -29.710 24.007 331 HH12 ARG 42 HH12 ARG 42 16.675 -31.156 24.952 332 HH21 ARG 42 HH21 ARG 42 16.078 -33.275 22.273 333 HH22 ARG 42 HH22 ARG 42 16.406 -33.174 23.971 334 H LYS 43 HN LYS 43 13.217 -31.808 15.856 335 HA LYS 43 HA LYS 43 14.732 -33.426 14.053 336 HB2 LYS 43 HB2 LYS 43 12.532 -34.147 14.920 337 HB3 LYS 43 HB1 LYS 43 11.751 -32.847 14.020 338 HG2 LYS 43 HG2 LYS 43 12.590 -33.789 11.906 339 HG3 LYS 43 HG1 LYS 43 13.406 -35.075 12.797 340 HD2 LYS 43 HD2 LYS 43 11.232 -35.850 13.672 341 HD3 LYS 43 HD1 LYS 43 10.417 -34.564 12.781 342 HE2 LYS 43 HE2 LYS 43 11.254 -35.495 10.658 343 HE3 LYS 43 HE1 LYS 43 12.081 -36.777 11.542 344 HZ1 LYS 43 HZ1 LYS 43 9.776 -37.259 10.582 345 HZ2 LYS 43 HZ2 LYS 43 9.185 -36.331 11.876 346 HZ3 LYS 43 HZ3 LYS 43 10.089 -37.738 12.178 347 H ALA 44 HN ALA 44 13.104 -30.318 13.767 348 HA ALA 44 HA ALA 44 12.980 -30.159 10.974 349 HB1 ALA 44 HB1 ALA 44 13.180 -27.983 13.064 350 HB2 ALA 44 HB2 ALA 44 11.757 -28.529 12.178 351 HB3 ALA 44 HB3 ALA 44 13.027 -27.641 11.341 352 H LEU 45 HN LEU 45 15.720 -29.378 13.131 353 HA LEU 45 HA LEU 45 17.260 -28.224 11.006 354 HB2 LEU 45 HB2 LEU 45 19.042 -28.054 12.539 355 HB3 LEU 45 HB1 LEU 45 17.594 -27.831 13.509 356 HG LEU 45 HG LEU 45 17.881 -30.559 13.684 357 HD11 LEU 45 HD11 LEU 45 20.126 -31.240 13.797 358 HD12 LEU 45 HD12 LEU 45 20.728 -29.587 13.922 359 HD13 LEU 45 HD13 LEU 45 20.119 -30.189 12.384 360 HD21 LEU 45 HD21 LEU 45 18.788 -30.182 15.922 361 HD22 LEU 45 HD22 LEU 45 17.592 -28.937 15.562 362 HD23 LEU 45 HD23 LEU 45 19.312 -28.560 15.466 363 H GLU 46 HN GLU 46 16.697 -31.448 12.171 364 HA GLU 46 HA GLU 46 18.974 -32.683 10.982 365 HB2 GLU 46 HB2 GLU 46 16.278 -33.851 11.741 366 HB3 GLU 46 HB1 GLU 46 17.676 -34.797 11.236 367 HG2 GLU 46 HG2 GLU 46 17.694 -32.886 13.584 368 HG3 GLU 46 HG1 GLU 46 17.425 -34.620 13.728 369 H ASP 47 HN ASP 47 15.850 -31.684 9.792 370 HA ASP 47 HA ASP 47 16.060 -33.198 7.321 371 HB2 ASP 47 HB2 ASP 47 14.110 -31.080 8.261 372 HB3 ASP 47 HB1 ASP 47 14.030 -31.850 6.680 373 H LYS 48 HN LYS 48 17.478 -30.422 8.495 374 HA LYS 48 HA LYS 48 17.361 -28.668 6.295 375 HB2 LYS 48 HB2 LYS 48 18.205 -27.933 8.484 376 HB3 LYS 48 HB1 LYS 48 19.617 -28.972 8.309 377 HG2 LYS 48 HG2 LYS 48 20.303 -27.722 6.301 378 HG3 LYS 48 HG1 LYS 48 18.872 -26.700 6.443 379 HD2 LYS 48 HD2 LYS 48 19.636 -25.893 8.627 380 HD3 LYS 48 HD1 LYS 48 21.042 -26.955 8.545 381 HE2 LYS 48 HE2 LYS 48 21.674 -24.686 7.867 382 HE3 LYS 48 HE1 LYS 48 21.785 -25.779 6.487 383 HZ1 LYS 48 HZ1 LYS 48 20.421 -24.415 5.428 384 HZ2 LYS 48 HZ2 LYS 48 20.150 -23.488 6.826 385 HZ3 LYS 48 HZ3 LYS 48 19.191 -24.854 6.511 386 H LEU 49 HN LEU 49 19.511 -31.414 6.970 387 HA LEU 49 HA LEU 49 21.043 -30.935 4.536 388 HB2 LEU 49 HB2 LEU 49 22.051 -33.224 5.247 389 HB3 LEU 49 HB1 LEU 49 22.408 -31.807 6.229 390 HG LEU 49 HG LEU 49 19.954 -33.382 6.956 391 HD11 LEU 49 HD11 LEU 49 22.788 -34.323 7.474 392 HD12 LEU 49 HD12 LEU 49 21.509 -35.200 6.634 393 HD13 LEU 49 HD13 LEU 49 21.382 -34.903 8.367 394 HD21 LEU 49 HD21 LEU 49 20.417 -32.587 9.135 395 HD22 LEU 49 HD22 LEU 49 20.911 -31.245 8.103 396 HD23 LEU 49 HD23 LEU 49 22.126 -32.326 8.779 397 H ALA 50 HN ALA 50 18.210 -32.581 5.493 398 HA ALA 50 HA ALA 50 18.223 -34.761 3.692 399 HB1 ALA 50 HB1 ALA 50 15.776 -34.809 3.986 400 HB2 ALA 50 HB2 ALA 50 15.834 -33.240 4.787 401 HB3 ALA 50 HB3 ALA 50 16.604 -34.642 5.532 402 H ASP 51 HN ASP 51 17.565 -31.360 3.236 403 HA ASP 51 HA ASP 51 16.331 -31.741 0.633 404 HB2 ASP 51 HB2 ASP 51 16.235 -29.320 0.551 405 HB3 ASP 51 HB1 ASP 51 15.695 -29.863 2.138 406 H TYR 52 HN TYR 52 19.388 -32.115 1.679 407 HA TYR 52 HA TYR 52 21.509 -31.886 0.741 408 HB2 TYR 52 HB2 TYR 52 20.565 -33.637 -0.665 409 HB3 TYR 52 HB1 TYR 52 19.811 -32.431 -1.708 410 HD1 TYR 52 HD1 TYR 52 23.107 -33.653 -0.457 411 HD2 TYR 52 HD2 TYR 52 21.027 -31.416 -3.476 412 HE1 TYR 52 HE1 TYR 52 25.197 -33.496 -1.780 413 HE2 TYR 52 HE2 TYR 52 23.117 -31.259 -4.801 414 HH TYR 52 HH TYR 52 26.174 -32.070 -3.510 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 -27.017 15.351 14.968 2 H2 GLY 1 HT2 GLY 1 -26.347 16.913 14.979 3 H3 GLY 1 HT3 GLY 1 -25.337 15.551 15.090 4 HA2 GLY 1 HA2 GLY 1 -27.048 16.154 12.742 5 HA3 GLY 1 HA1 GLY 1 -25.345 16.598 12.858 6 H SER 2 HN SER 2 -23.757 14.952 12.921 7 HA SER 2 HA SER 2 -24.496 12.557 11.466 8 HB2 SER 2 HB2 SER 2 -22.122 12.152 11.316 9 HB3 SER 2 HB1 SER 2 -22.411 13.859 10.997 10 HG SER 2 HG SER 2 -20.683 13.263 12.555 11 H VAL 3 HN VAL 3 -24.391 13.414 14.701 12 HA VAL 3 HA VAL 3 -23.293 11.108 15.899 13 HB VAL 3 HB VAL 3 -25.305 13.120 16.946 14 HG11 VAL 3 HG11 VAL 3 -25.754 11.119 18.183 15 HG12 VAL 3 HG12 VAL 3 -24.684 12.088 19.196 16 HG13 VAL 3 HG13 VAL 3 -24.040 10.720 18.288 17 HG21 VAL 3 HG21 VAL 3 -23.308 13.724 18.369 18 HG22 VAL 3 HG22 VAL 3 -23.080 14.036 16.651 19 HG23 VAL 3 HG23 VAL 3 -22.345 12.616 17.393 20 H GLU 4 HN GLU 4 -26.630 11.813 14.850 21 HA GLU 4 HA GLU 4 -27.752 9.444 15.942 22 HB2 GLU 4 HB2 GLU 4 -29.680 9.913 14.555 23 HB3 GLU 4 HB1 GLU 4 -29.085 11.429 15.233 24 HG2 GLU 4 HG2 GLU 4 -27.812 11.806 13.102 25 HG3 GLU 4 HG1 GLU 4 -28.595 10.378 12.433 26 H LYS 5 HN LYS 5 -25.752 10.016 13.224 27 HA LYS 5 HA LYS 5 -26.592 7.682 11.723 28 HB2 LYS 5 HB2 LYS 5 -24.054 9.305 11.397 29 HB3 LYS 5 HB1 LYS 5 -24.803 8.244 10.205 30 HG2 LYS 5 HG2 LYS 5 -26.103 10.747 11.324 31 HG3 LYS 5 HG1 LYS 5 -25.252 10.673 9.784 32 HD2 LYS 5 HD2 LYS 5 -26.859 8.804 9.127 33 HD3 LYS 5 HD1 LYS 5 -27.796 9.227 10.559 34 HE2 LYS 5 HE2 LYS 5 -27.067 11.162 8.347 35 HE3 LYS 5 HE1 LYS 5 -28.636 10.377 8.524 36 HZ1 LYS 5 HZ1 LYS 5 -29.229 11.860 10.039 37 HZ2 LYS 5 HZ2 LYS 5 -27.800 12.720 9.718 38 HZ3 LYS 5 HZ3 LYS 5 -27.838 11.569 10.966 39 H LEU 6 HN LEU 6 -24.171 6.541 10.962 40 HA LEU 6 HA LEU 6 -22.700 4.871 11.609 41 HB2 LEU 6 HB2 LEU 6 -22.477 6.411 14.203 42 HB3 LEU 6 HB1 LEU 6 -21.280 5.338 13.481 43 HG LEU 6 HG LEU 6 -22.239 7.957 12.287 44 HD11 LEU 6 HD11 LEU 6 -20.797 8.190 14.310 45 HD12 LEU 6 HD12 LEU 6 -20.010 8.785 12.848 46 HD13 LEU 6 HD13 LEU 6 -19.565 7.212 13.512 47 HD21 LEU 6 HD21 LEU 6 -20.309 5.822 11.360 48 HD22 LEU 6 HD22 LEU 6 -20.153 7.489 10.808 49 HD23 LEU 6 HD23 LEU 6 -21.622 6.581 10.460 50 H THR 7 HN THR 7 -25.641 4.893 12.451 51 HA THR 7 HA THR 7 -25.834 3.535 14.933 52 HB THR 7 HB THR 7 -27.740 3.554 12.588 53 HG1 THR 7 HG1 THR 7 -28.779 5.056 14.156 54 HG21 THR 7 HG21 THR 7 -27.990 2.602 15.442 55 HG22 THR 7 HG22 THR 7 -28.330 1.701 13.964 56 HG23 THR 7 HG23 THR 7 -29.395 3.016 14.461 57 H ALA 8 HN ALA 8 -25.555 2.371 11.578 58 HA ALA 8 HA ALA 8 -25.905 -0.383 12.269 59 HB1 ALA 8 HB1 ALA 8 -25.155 -0.872 10.007 60 HB2 ALA 8 HB2 ALA 8 -24.547 0.771 9.813 61 HB3 ALA 8 HB3 ALA 8 -26.282 0.481 9.962 62 H ASP 9 HN ASP 9 -23.294 1.837 12.428 63 HA ASP 9 HA ASP 9 -21.150 -0.054 12.288 64 HB2 ASP 9 HB2 ASP 9 -21.292 2.728 13.466 65 HB3 ASP 9 HB1 ASP 9 -19.824 1.760 13.448 66 H ALA 10 HN ALA 10 -23.375 0.865 14.769 67 HA ALA 10 HA ALA 10 -21.881 0.133 17.045 68 HB1 ALA 10 HB1 ALA 10 -23.888 1.335 17.456 69 HB2 ALA 10 HB2 ALA 10 -24.159 -0.275 18.113 70 HB3 ALA 10 HB3 ALA 10 -24.873 0.174 16.566 71 H GLU 11 HN GLU 11 -23.799 -1.815 14.789 72 HA GLU 11 HA GLU 11 -23.751 -4.201 16.316 73 HB2 GLU 11 HB2 GLU 11 -24.082 -3.748 13.339 74 HB3 GLU 11 HB1 GLU 11 -24.149 -5.343 14.085 75 HG2 GLU 11 HG2 GLU 11 -26.023 -4.697 15.463 76 HG3 GLU 11 HG1 GLU 11 -25.890 -3.018 14.948 77 H LEU 12 HN LEU 12 -21.468 -2.787 14.020 78 HA LEU 12 HA LEU 12 -19.791 -5.064 13.787 79 HB2 LEU 12 HB2 LEU 12 -19.212 -2.117 13.376 80 HB3 LEU 12 HB1 LEU 12 -18.031 -3.385 13.076 81 HG LEU 12 HG LEU 12 -20.773 -3.304 11.779 82 HD11 LEU 12 HD11 LEU 12 -19.661 -2.432 9.797 83 HD12 LEU 12 HD12 LEU 12 -18.100 -2.472 10.617 84 HD13 LEU 12 HD13 LEU 12 -19.350 -1.350 11.155 85 HD21 LEU 12 HD21 LEU 12 -20.063 -5.516 11.548 86 HD22 LEU 12 HD22 LEU 12 -18.353 -5.087 11.551 87 HD23 LEU 12 HD23 LEU 12 -19.333 -4.803 10.114 88 H GLN 13 HN GLN 13 -19.977 -2.444 16.130 89 HA GLN 13 HA GLN 13 -17.503 -2.934 17.409 90 HB2 GLN 13 HB2 GLN 13 -20.047 -1.647 18.432 91 HB3 GLN 13 HB1 GLN 13 -18.576 -1.777 19.394 92 HG2 GLN 13 HG2 GLN 13 -17.325 -0.481 17.794 93 HG3 GLN 13 HG1 GLN 13 -18.660 -0.504 16.646 94 HE21 GLN 13 HE21 GLN 13 -17.372 1.882 17.923 95 HE22 GLN 13 HE22 GLN 13 -18.624 2.690 18.737 96 H ARG 14 HN ARG 14 -20.703 -4.380 17.812 97 HA ARG 14 HA ARG 14 -20.159 -5.763 20.213 98 HB2 ARG 14 HB2 ARG 14 -22.112 -6.369 17.977 99 HB3 ARG 14 HB1 ARG 14 -22.028 -7.291 19.477 100 HG2 ARG 14 HG2 ARG 14 -22.501 -5.305 20.789 101 HG3 ARG 14 HG1 ARG 14 -22.434 -4.291 19.347 102 HD2 ARG 14 HD2 ARG 14 -24.766 -4.759 19.909 103 HD3 ARG 14 HD1 ARG 14 -24.347 -5.554 18.395 104 HE ARG 14 HE ARG 14 -23.925 -7.310 20.601 105 HH11 ARG 14 HH11 ARG 14 -25.428 -8.989 20.897 106 HH12 ARG 14 HH12 ARG 14 -26.985 -8.894 20.144 107 HH21 ARG 14 HH21 ARG 14 -26.366 -5.827 18.647 108 HH22 ARG 14 HH22 ARG 14 -27.515 -7.104 18.870 109 H LEU 15 HN LEU 15 -19.481 -6.535 16.838 110 HA LEU 15 HA LEU 15 -18.765 -9.255 17.255 111 HB2 LEU 15 HB2 LEU 15 -17.936 -7.322 15.075 112 HB3 LEU 15 HB1 LEU 15 -17.648 -9.059 15.044 113 HG LEU 15 HG LEU 15 -20.389 -7.776 15.265 114 HD11 LEU 15 HD11 LEU 15 -19.046 -9.094 12.885 115 HD12 LEU 15 HD12 LEU 15 -19.278 -7.357 13.078 116 HD13 LEU 15 HD13 LEU 15 -20.676 -8.421 12.920 117 HD21 LEU 15 HD21 LEU 15 -19.381 -10.615 15.200 118 HD22 LEU 15 HD22 LEU 15 -20.934 -10.251 14.449 119 HD23 LEU 15 HD23 LEU 15 -20.684 -9.914 16.159 120 H LYS 16 HN LYS 16 -17.085 -6.263 17.797 121 HA LYS 16 HA LYS 16 -14.428 -7.229 17.648 122 HB2 LYS 16 HB2 LYS 16 -15.599 -4.923 19.221 123 HB3 LYS 16 HB1 LYS 16 -13.875 -5.255 19.091 124 HG2 LYS 16 HG2 LYS 16 -14.008 -5.071 16.639 125 HG3 LYS 16 HG1 LYS 16 -15.738 -4.741 16.756 126 HD2 LYS 16 HD2 LYS 16 -15.268 -2.723 18.094 127 HD3 LYS 16 HD1 LYS 16 -13.539 -3.048 17.978 128 HE2 LYS 16 HE2 LYS 16 -13.659 -2.856 15.524 129 HE3 LYS 16 HE1 LYS 16 -15.390 -2.540 15.630 130 HZ1 LYS 16 HZ1 LYS 16 -13.230 -0.874 16.805 131 HZ2 LYS 16 HZ2 LYS 16 -14.896 -0.581 16.978 132 HZ3 LYS 16 HZ3 LYS 16 -14.167 -0.482 15.447 133 H ASN 17 HN ASN 17 -16.888 -7.568 20.090 134 HA ASN 17 HA ASN 17 -15.047 -8.202 22.223 135 HB2 ASN 17 HB2 ASN 17 -17.015 -8.731 23.520 136 HB3 ASN 17 HB1 ASN 17 -17.319 -7.249 22.618 137 HD21 ASN 17 HD21 ASN 17 -19.671 -8.083 23.123 138 HD22 ASN 17 HD22 ASN 17 -20.364 -9.099 21.954 139 H GLU 18 HN GLU 18 -15.849 -9.830 19.482 140 HA GLU 18 HA GLU 18 -16.296 -12.470 20.447 141 HB2 GLU 18 HB2 GLU 18 -15.214 -11.495 17.788 142 HB3 GLU 18 HB1 GLU 18 -15.625 -13.173 18.144 143 HG2 GLU 18 HG2 GLU 18 -17.579 -10.884 18.461 144 HG3 GLU 18 HG1 GLU 18 -17.462 -11.865 17.002 145 H ALA 19 HN ALA 19 -13.450 -10.522 20.011 146 HA ALA 19 HA ALA 19 -11.509 -12.578 19.912 147 HB1 ALA 19 HB1 ALA 19 -9.898 -10.867 20.633 148 HB2 ALA 19 HB2 ALA 19 -11.221 -9.779 21.048 149 HB3 ALA 19 HB3 ALA 19 -10.952 -10.242 19.366 150 H ALA 20 HN ALA 20 -13.432 -11.328 22.501 151 HA ALA 20 HA ALA 20 -11.794 -12.028 24.693 152 HB1 ALA 20 HB1 ALA 20 -13.777 -10.603 24.976 153 HB2 ALA 20 HB2 ALA 20 -13.862 -12.011 26.033 154 HB3 ALA 20 HB3 ALA 20 -14.826 -11.961 24.560 155 H GLU 21 HN GLU 21 -13.715 -13.939 22.531 156 HA GLU 21 HA GLU 21 -14.112 -16.211 24.159 157 HB2 GLU 21 HB2 GLU 21 -13.930 -15.923 21.147 158 HB3 GLU 21 HB1 GLU 21 -14.283 -17.451 21.950 159 HG2 GLU 21 HG2 GLU 21 -15.866 -14.922 22.447 160 HG3 GLU 21 HG1 GLU 21 -16.320 -16.125 21.241 161 H GLU 22 HN GLU 22 -11.369 -15.174 22.181 162 HA GLU 22 HA GLU 22 -9.933 -17.602 22.263 163 HB2 GLU 22 HB2 GLU 22 -8.981 -14.742 21.950 164 HB3 GLU 22 HB1 GLU 22 -7.912 -16.139 21.846 165 HG2 GLU 22 HG2 GLU 22 -9.175 -17.043 19.989 166 HG3 GLU 22 HG1 GLU 22 -10.397 -15.783 20.154 167 H ALA 23 HN ALA 23 -10.156 -14.913 24.549 168 HA ALA 23 HA ALA 23 -7.997 -15.659 26.204 169 HB1 ALA 23 HB1 ALA 23 -10.527 -14.110 26.824 170 HB2 ALA 23 HB2 ALA 23 -8.900 -13.485 26.561 171 HB3 ALA 23 HB3 ALA 23 -9.264 -14.406 28.018 172 H GLU 24 HN GLU 24 -11.358 -16.762 26.092 173 HA GLU 24 HA GLU 24 -11.336 -18.200 28.522 174 HB2 GLU 24 HB2 GLU 24 -12.979 -18.579 26.004 175 HB3 GLU 24 HB1 GLU 24 -13.217 -19.525 27.471 176 HG2 GLU 24 HG2 GLU 24 -13.698 -17.532 28.756 177 HG3 GLU 24 HG1 GLU 24 -13.279 -16.499 27.389 178 H LEU 25 HN LEU 25 -10.259 -19.043 25.262 179 HA LEU 25 HA LEU 25 -9.888 -21.815 25.745 180 HB2 LEU 25 HB2 LEU 25 -8.549 -19.966 23.748 181 HB3 LEU 25 HB1 LEU 25 -8.371 -21.718 23.757 182 HG LEU 25 HG LEU 25 -11.031 -20.275 23.541 183 HD11 LEU 25 HD11 LEU 25 -10.962 -20.849 21.165 184 HD12 LEU 25 HD12 LEU 25 -9.392 -21.624 21.375 185 HD13 LEU 25 HD13 LEU 25 -9.549 -19.879 21.582 186 HD21 LEU 25 HD21 LEU 25 -10.181 -23.166 23.573 187 HD22 LEU 25 HD22 LEU 25 -11.558 -22.703 22.576 188 HD23 LEU 25 HD23 LEU 25 -11.592 -22.407 24.309 189 H GLU 26 HN GLU 26 -7.983 -18.980 26.469 190 HA GLU 26 HA GLU 26 -5.489 -20.244 26.864 191 HB2 GLU 26 HB2 GLU 26 -5.696 -17.790 26.708 192 HB3 GLU 26 HB1 GLU 26 -6.545 -17.755 28.252 193 HG2 GLU 26 HG2 GLU 26 -4.587 -18.710 29.378 194 HG3 GLU 26 HG1 GLU 26 -3.740 -18.824 27.836 195 H ARG 27 HN ARG 27 -8.279 -19.816 29.009 196 HA ARG 27 HA ARG 27 -7.013 -20.708 31.373 197 HB2 ARG 27 HB2 ARG 27 -9.931 -20.740 30.554 198 HB3 ARG 27 HB1 ARG 27 -9.358 -21.220 32.150 199 HG2 ARG 27 HG2 ARG 27 -8.391 -19.028 32.526 200 HG3 ARG 27 HG1 ARG 27 -8.777 -18.533 30.878 201 HD2 ARG 27 HD2 ARG 27 -10.452 -17.636 32.415 202 HD3 ARG 27 HD1 ARG 27 -11.191 -18.850 31.375 203 HE ARG 27 HE ARG 27 -10.253 -20.040 33.789 204 HH11 ARG 27 HH11 ARG 27 -11.810 -20.622 35.337 205 HH12 ARG 27 HH12 ARG 27 -13.396 -19.930 35.266 206 HH21 ARG 27 HH21 ARG 27 -12.719 -18.009 32.460 207 HH22 ARG 27 HH22 ARG 27 -13.910 -18.449 33.637 208 H LEU 28 HN LEU 28 -8.552 -22.437 28.706 209 HA LEU 28 HA LEU 28 -8.642 -24.979 29.959 210 HB2 LEU 28 HB2 LEU 28 -8.524 -24.234 27.023 211 HB3 LEU 28 HB1 LEU 28 -8.819 -25.863 27.625 212 HG LEU 28 HG LEU 28 -10.519 -23.452 28.327 213 HD11 LEU 28 HD11 LEU 28 -10.629 -24.055 25.914 214 HD12 LEU 28 HD12 LEU 28 -12.154 -24.353 26.749 215 HD13 LEU 28 HD13 LEU 28 -11.080 -25.698 26.367 216 HD21 LEU 28 HD21 LEU 28 -12.121 -25.519 28.852 217 HD22 LEU 28 HD22 LEU 28 -10.945 -24.976 30.044 218 HD23 LEU 28 HD23 LEU 28 -10.592 -26.379 29.037 219 H LYS 29 HN LYS 29 -6.095 -23.209 28.338 220 HA LYS 29 HA LYS 29 -4.371 -25.378 27.798 221 HB2 LYS 29 HB2 LYS 29 -3.765 -22.452 28.295 222 HB3 LYS 29 HB1 LYS 29 -2.547 -23.636 27.827 223 HG2 LYS 29 HG2 LYS 29 -3.838 -24.175 25.798 224 HG3 LYS 29 HG1 LYS 29 -5.061 -22.992 26.260 225 HD2 LYS 29 HD2 LYS 29 -3.399 -21.192 26.149 226 HD3 LYS 29 HD1 LYS 29 -2.141 -22.360 25.745 227 HE2 LYS 29 HE2 LYS 29 -2.951 -21.276 23.703 228 HE3 LYS 29 HE1 LYS 29 -3.404 -22.981 23.697 229 HZ1 LYS 29 HZ1 LYS 29 -5.348 -21.298 24.969 230 HZ2 LYS 29 HZ2 LYS 29 -5.556 -22.476 23.762 231 HZ3 LYS 29 HZ3 LYS 29 -5.099 -20.895 23.341 232 H SER 30 HN SER 30 -4.934 -23.495 30.731 233 HA SER 30 HA SER 30 -2.665 -24.301 32.183 234 HB2 SER 30 HB2 SER 30 -3.949 -23.691 34.176 235 HB3 SER 30 HB1 SER 30 -4.175 -22.489 32.909 236 HG SER 30 HG SER 30 -6.010 -24.275 32.480 237 H GLU 31 HN GLU 31 -5.668 -25.950 31.465 238 HA GLU 31 HA GLU 31 -5.506 -27.944 33.469 239 HB2 GLU 31 HB2 GLU 31 -6.861 -27.968 30.756 240 HB3 GLU 31 HB1 GLU 31 -6.979 -29.289 31.916 241 HG2 GLU 31 HG2 GLU 31 -7.958 -27.823 33.577 242 HG3 GLU 31 HG1 GLU 31 -7.703 -26.417 32.545 243 H ARG 32 HN ARG 32 -4.067 -27.662 30.257 244 HA ARG 32 HA ARG 32 -2.471 -28.935 29.171 245 HB2 ARG 32 HB2 ARG 32 -1.774 -29.605 32.042 246 HB3 ARG 32 HB1 ARG 32 -0.760 -29.977 30.648 247 HG2 ARG 32 HG2 ARG 32 -0.673 -27.570 30.076 248 HG3 ARG 32 HG1 ARG 32 -1.657 -27.206 31.495 249 HD2 ARG 32 HD2 ARG 32 0.085 -28.219 32.941 250 HD3 ARG 32 HD1 ARG 32 1.076 -28.520 31.517 251 HE ARG 32 HE ARG 32 0.648 -25.961 32.823 252 HH11 ARG 32 HH11 ARG 32 1.876 -24.241 31.991 253 HH12 ARG 32 HH12 ARG 32 2.688 -24.419 30.471 254 HH21 ARG 32 HH21 ARG 32 1.584 -27.667 29.961 255 HH22 ARG 32 HH22 ARG 32 2.521 -26.358 29.321 256 H HIS 33 HN HIS 33 -5.007 -30.129 29.325 257 HA HIS 33 HA HIS 33 -5.003 -32.786 30.275 258 HB2 HIS 33 HB2 HIS 33 -7.084 -31.691 29.582 259 HB3 HIS 33 HB1 HIS 33 -6.508 -31.618 27.914 260 HD2 HIS 33 HD2 HIS 33 -7.148 -33.869 26.441 261 HE1 HIS 33 HE1 HIS 33 -8.032 -36.450 29.661 262 HE2 HIS 33 HE2 HIS 33 -8.010 -36.236 27.131 263 H ASP 34 HN ASP 34 -4.193 -31.457 27.081 264 HA ASP 34 HA ASP 34 -3.538 -33.923 25.855 265 HB2 ASP 34 HB2 ASP 34 -2.652 -31.087 25.272 266 HB3 ASP 34 HB1 ASP 34 -2.202 -32.461 24.268 267 H HIS 35 HN HIS 35 -1.610 -35.042 25.677 268 HA HIS 35 HA HIS 35 0.824 -33.969 26.834 269 HB2 HIS 35 HB2 HIS 35 -0.493 -34.930 28.770 270 HB3 HIS 35 HB1 HIS 35 -0.333 -36.511 28.004 271 HD2 HIS 35 HD2 HIS 35 1.804 -34.040 30.109 272 HE1 HIS 35 HE1 HIS 35 4.334 -37.221 28.968 273 HE2 HIS 35 HE2 HIS 35 4.139 -35.161 30.441 274 H ASP 36 HN ASP 36 2.624 -35.807 26.713 275 HA ASP 36 HA ASP 36 3.860 -37.163 25.303 276 HB2 ASP 36 HB2 ASP 36 1.988 -38.711 26.144 277 HB3 ASP 36 HB1 ASP 36 1.228 -38.456 24.576 278 H LYS 37 HN LYS 37 2.795 -34.667 24.230 279 HA LYS 37 HA LYS 37 1.764 -35.027 21.620 280 HB2 LYS 37 HB2 LYS 37 1.566 -32.882 22.797 281 HB3 LYS 37 HB1 LYS 37 3.311 -32.651 22.706 282 HG2 LYS 37 HG2 LYS 37 3.198 -32.673 20.246 283 HG3 LYS 37 HG1 LYS 37 1.457 -32.944 20.323 284 HD2 LYS 37 HD2 LYS 37 1.174 -30.799 21.508 285 HD3 LYS 37 HD1 LYS 37 2.917 -30.529 21.435 286 HE2 LYS 37 HE2 LYS 37 2.826 -30.560 18.972 287 HE3 LYS 37 HE1 LYS 37 1.086 -30.844 19.036 288 HZ1 LYS 37 HZ1 LYS 37 1.849 -28.465 18.728 289 HZ2 LYS 37 HZ2 LYS 37 2.343 -28.512 20.352 290 HZ3 LYS 37 HZ3 LYS 37 0.708 -28.743 19.951 291 H LYS 38 HN LYS 38 5.109 -34.818 22.811 292 HA LYS 38 HA LYS 38 6.343 -34.541 20.306 293 HB2 LYS 38 HB2 LYS 38 7.368 -35.767 22.881 294 HB3 LYS 38 HB1 LYS 38 8.370 -35.536 21.454 295 HG2 LYS 38 HG2 LYS 38 6.803 -33.225 22.592 296 HG3 LYS 38 HG1 LYS 38 8.347 -33.684 23.304 297 HD2 LYS 38 HD2 LYS 38 9.392 -33.476 21.027 298 HD3 LYS 38 HD1 LYS 38 7.858 -32.853 20.425 299 HE2 LYS 38 HE2 LYS 38 7.953 -31.012 22.059 300 HE3 LYS 38 HE1 LYS 38 9.489 -31.630 22.665 301 HZ1 LYS 38 HZ1 LYS 38 8.998 -30.792 19.859 302 HZ2 LYS 38 HZ2 LYS 38 10.484 -31.271 20.528 303 HZ3 LYS 38 HZ3 LYS 38 9.749 -29.826 21.033 304 H GLU 39 HN GLU 39 5.294 -37.487 22.020 305 HA GLU 39 HA GLU 39 6.546 -39.280 20.209 306 HB2 GLU 39 HB2 GLU 39 4.195 -39.677 22.075 307 HB3 GLU 39 HB1 GLU 39 4.885 -40.963 21.090 308 HG2 GLU 39 HG2 GLU 39 7.089 -40.584 22.129 309 HG3 GLU 39 HG1 GLU 39 6.399 -39.303 23.124 310 H ALA 40 HN ALA 40 3.455 -37.607 20.177 311 HA ALA 40 HA ALA 40 2.217 -39.090 18.111 312 HB1 ALA 40 HB1 ALA 40 1.845 -36.154 18.776 313 HB2 ALA 40 HB2 ALA 40 0.977 -37.491 19.537 314 HB3 ALA 40 HB3 ALA 40 0.749 -37.153 17.822 315 H GLU 41 HN GLU 41 4.861 -36.954 18.060 316 HA GLU 41 HA GLU 41 4.624 -35.783 15.522 317 HB2 GLU 41 HB2 GLU 41 6.326 -35.073 17.163 318 HB3 GLU 41 HB1 GLU 41 7.192 -36.592 16.927 319 HG2 GLU 41 HG2 GLU 41 7.530 -36.057 14.559 320 HG3 GLU 41 HG1 GLU 41 6.602 -34.571 14.746 321 H ARG 42 HN ARG 42 5.740 -39.015 16.446 322 HA ARG 42 HA ARG 42 6.986 -39.749 14.050 323 HB2 ARG 42 HB2 ARG 42 6.662 -42.034 14.718 324 HB3 ARG 42 HB1 ARG 42 6.964 -41.098 16.180 325 HG2 ARG 42 HG2 ARG 42 4.427 -40.911 16.423 326 HG3 ARG 42 HG1 ARG 42 4.308 -42.123 15.150 327 HD2 ARG 42 HD2 ARG 42 5.845 -42.488 17.735 328 HD3 ARG 42 HD1 ARG 42 4.231 -43.125 17.431 329 HE ARG 42 HE ARG 42 6.737 -44.117 16.314 330 HH11 ARG 42 HH11 ARG 42 6.557 -46.074 15.177 331 HH12 ARG 42 HH12 ARG 42 4.992 -46.682 14.750 332 HH21 ARG 42 HH21 ARG 42 3.279 -44.034 16.193 333 HH22 ARG 42 HH22 ARG 42 3.137 -45.527 15.326 334 H LYS 43 HN LYS 43 3.622 -39.312 14.789 335 HA LYS 43 HA LYS 43 2.538 -40.897 12.679 336 HB2 LYS 43 HB2 LYS 43 1.374 -38.554 14.204 337 HB3 LYS 43 HB1 LYS 43 0.473 -39.531 13.047 338 HG2 LYS 43 HG2 LYS 43 0.935 -41.554 14.373 339 HG3 LYS 43 HG1 LYS 43 1.845 -40.588 15.535 340 HD2 LYS 43 HD2 LYS 43 -0.180 -39.265 16.025 341 HD3 LYS 43 HD1 LYS 43 -1.092 -40.230 14.865 342 HE2 LYS 43 HE2 LYS 43 -0.637 -42.262 16.186 343 HE3 LYS 43 HE1 LYS 43 0.284 -41.305 17.345 344 HZ1 LYS 43 HZ1 LYS 43 -1.721 -39.999 17.773 345 HZ2 LYS 43 HZ2 LYS 43 -1.956 -41.643 18.132 346 HZ3 LYS 43 HZ3 LYS 43 -2.598 -40.979 16.704 347 H ALA 44 HN ALA 44 4.008 -37.779 12.785 348 HA ALA 44 HA ALA 44 2.796 -36.568 10.544 349 HB1 ALA 44 HB1 ALA 44 4.803 -35.146 10.429 350 HB2 ALA 44 HB2 ALA 44 5.634 -36.213 11.558 351 HB3 ALA 44 HB3 ALA 44 4.222 -35.293 12.086 352 H LEU 45 HN LEU 45 5.081 -39.146 10.781 353 HA LEU 45 HA LEU 45 6.147 -38.898 8.121 354 HB2 LEU 45 HB2 LEU 45 6.136 -41.267 10.012 355 HB3 LEU 45 HB1 LEU 45 7.097 -41.131 8.541 356 HG LEU 45 HG LEU 45 7.282 -39.253 10.917 357 HD11 LEU 45 HD11 LEU 45 9.252 -41.357 9.978 358 HD12 LEU 45 HD12 LEU 45 8.112 -41.602 11.302 359 HD13 LEU 45 HD13 LEU 45 9.365 -40.367 11.434 360 HD21 LEU 45 HD21 LEU 45 9.520 -38.742 9.590 361 HD22 LEU 45 HD22 LEU 45 8.017 -37.965 9.104 362 HD23 LEU 45 HD23 LEU 45 8.613 -39.366 8.212 363 H GLU 46 HN GLU 46 3.209 -39.978 9.407 364 HA GLU 46 HA GLU 46 2.591 -42.103 7.640 365 HB2 GLU 46 HB2 GLU 46 0.760 -40.176 9.098 366 HB3 GLU 46 HB1 GLU 46 0.220 -41.621 8.246 367 HG2 GLU 46 HG2 GLU 46 2.275 -41.657 10.470 368 HG3 GLU 46 HG1 GLU 46 0.554 -41.956 10.720 369 H ASP 47 HN ASP 47 2.544 -38.633 7.269 370 HA ASP 47 HA ASP 47 0.918 -38.703 4.863 371 HB2 ASP 47 HB2 ASP 47 1.276 -36.310 4.787 372 HB3 ASP 47 HB1 ASP 47 0.875 -36.774 6.440 373 H LYS 48 HN LYS 48 3.963 -39.676 5.476 374 HA LYS 48 HA LYS 48 5.506 -38.438 3.475 375 HB2 LYS 48 HB2 LYS 48 6.584 -39.741 5.233 376 HB3 LYS 48 HB1 LYS 48 5.806 -41.216 4.676 377 HG2 LYS 48 HG2 LYS 48 8.086 -41.195 3.867 378 HG3 LYS 48 HG1 LYS 48 7.023 -40.961 2.487 379 HD2 LYS 48 HD2 LYS 48 7.491 -38.592 2.438 380 HD3 LYS 48 HD1 LYS 48 8.342 -38.675 3.982 381 HE2 LYS 48 HE2 LYS 48 10.045 -40.134 2.951 382 HE3 LYS 48 HE1 LYS 48 9.184 -40.048 1.412 383 HZ1 LYS 48 HZ1 LYS 48 9.582 -37.445 2.382 384 HZ2 LYS 48 HZ2 LYS 48 10.205 -38.154 0.969 385 HZ3 LYS 48 HZ3 LYS 48 11.069 -38.261 2.429 386 H LEU 49 HN LEU 49 3.347 -41.249 3.362 387 HA LEU 49 HA LEU 49 4.012 -42.057 0.733 388 HB2 LEU 49 HB2 LEU 49 1.476 -42.465 2.346 389 HB3 LEU 49 HB1 LEU 49 1.764 -43.195 0.772 390 HG LEU 49 HG LEU 49 3.608 -43.535 3.154 391 HD11 LEU 49 HD11 LEU 49 1.494 -45.423 2.072 392 HD12 LEU 49 HD12 LEU 49 1.366 -44.507 3.574 393 HD13 LEU 49 HD13 LEU 49 2.598 -45.758 3.407 394 HD21 LEU 49 HD21 LEU 49 4.927 -44.088 1.312 395 HD22 LEU 49 HD22 LEU 49 3.551 -44.600 0.336 396 HD23 LEU 49 HD23 LEU 49 4.165 -45.645 1.614 397 H ALA 50 HN ALA 50 1.748 -39.661 1.997 398 HA ALA 50 HA ALA 50 0.567 -37.978 0.934 399 HB1 ALA 50 HB1 ALA 50 2.901 -37.720 -0.139 400 HB2 ALA 50 HB2 ALA 50 1.527 -36.997 -0.976 401 HB3 ALA 50 HB3 ALA 50 2.199 -38.527 -1.542 402 H ASP 51 HN ASP 51 -0.270 -40.814 0.766 403 HA ASP 51 HA ASP 51 -1.528 -41.052 -1.859 404 HB2 ASP 51 HB2 ASP 51 -2.312 -43.206 -1.061 405 HB3 ASP 51 HB1 ASP 51 -0.595 -43.041 -0.694 406 H TYR 52 HN TYR 52 -2.170 -39.220 0.728 407 HA TYR 52 HA TYR 52 -4.087 -38.366 1.745 408 HB2 TYR 52 HB2 TYR 52 -5.007 -38.676 -1.124 409 HB3 TYR 52 HB1 TYR 52 -5.796 -37.672 0.092 410 HD1 TYR 52 HD1 TYR 52 -2.889 -38.033 -2.114 411 HD2 TYR 52 HD2 TYR 52 -4.676 -35.664 0.992 412 HE1 TYR 52 HE1 TYR 52 -1.300 -36.193 -2.604 413 HE2 TYR 52 HE2 TYR 52 -3.087 -33.824 0.502 414 HH TYR 52 HH TYR 52 -0.681 -34.123 -2.116 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 -36.860 -2.959 12.093 2 H2 GLY 1 HT2 GLY 1 -36.183 -1.400 12.112 3 H3 GLY 1 HT3 GLY 1 -37.069 -1.929 10.762 4 HA2 GLY 1 HA2 GLY 1 -39.060 -1.540 11.709 5 HA3 GLY 1 HA1 GLY 1 -38.470 -1.985 13.310 6 H SER 2 HN SER 2 -39.839 0.093 13.655 7 HA SER 2 HA SER 2 -38.812 2.610 12.912 8 HB2 SER 2 HB2 SER 2 -40.572 1.812 15.243 9 HB3 SER 2 HB1 SER 2 -40.187 3.480 14.826 10 HG SER 2 HG SER 2 -41.955 1.768 13.701 11 H VAL 3 HN VAL 3 -38.105 0.501 15.670 12 HA VAL 3 HA VAL 3 -35.802 2.243 16.314 13 HB VAL 3 HB VAL 3 -36.167 1.804 18.725 14 HG11 VAL 3 HG11 VAL 3 -37.830 3.487 19.016 15 HG12 VAL 3 HG12 VAL 3 -38.631 3.061 17.504 16 HG13 VAL 3 HG13 VAL 3 -37.052 3.847 17.474 17 HG21 VAL 3 HG21 VAL 3 -38.956 0.878 18.003 18 HG22 VAL 3 HG22 VAL 3 -38.138 0.785 19.560 19 HG23 VAL 3 HG23 VAL 3 -37.642 -0.274 18.245 20 H GLU 4 HN GLU 4 -36.820 -0.687 15.299 21 HA GLU 4 HA GLU 4 -35.264 -2.490 16.836 22 HB2 GLU 4 HB2 GLU 4 -36.276 -2.706 13.986 23 HB3 GLU 4 HB1 GLU 4 -35.521 -4.024 14.881 24 HG2 GLU 4 HG2 GLU 4 -37.960 -2.520 15.859 25 HG3 GLU 4 HG1 GLU 4 -38.041 -4.033 14.957 26 H LYS 5 HN LYS 5 -34.499 -0.371 14.153 27 HA LYS 5 HA LYS 5 -32.086 -1.575 13.322 28 HB2 LYS 5 HB2 LYS 5 -33.001 1.311 13.242 29 HB3 LYS 5 HB1 LYS 5 -31.509 0.737 12.497 30 HG2 LYS 5 HG2 LYS 5 -32.792 -0.863 11.131 31 HG3 LYS 5 HG1 LYS 5 -34.289 -0.298 11.873 32 HD2 LYS 5 HD2 LYS 5 -33.910 1.955 10.982 33 HD3 LYS 5 HD1 LYS 5 -32.375 1.435 10.283 34 HE2 LYS 5 HE2 LYS 5 -34.121 1.420 8.563 35 HE3 LYS 5 HE1 LYS 5 -33.594 -0.229 8.898 36 HZ1 LYS 5 HZ1 LYS 5 -35.711 0.575 10.626 37 HZ2 LYS 5 HZ2 LYS 5 -35.611 -0.776 9.601 38 HZ3 LYS 5 HZ3 LYS 5 -36.164 0.713 8.998 39 H LEU 6 HN LEU 6 -32.796 0.782 15.862 40 HA LEU 6 HA LEU 6 -30.115 1.355 16.539 41 HB2 LEU 6 HB2 LEU 6 -31.936 2.800 17.305 42 HB3 LEU 6 HB1 LEU 6 -32.585 1.503 18.304 43 HG LEU 6 HG LEU 6 -30.487 1.478 19.623 44 HD11 LEU 6 HD11 LEU 6 -29.027 3.634 19.215 45 HD12 LEU 6 HD12 LEU 6 -29.706 3.563 17.589 46 HD13 LEU 6 HD13 LEU 6 -28.763 2.208 18.213 47 HD21 LEU 6 HD21 LEU 6 -30.830 3.666 20.727 48 HD22 LEU 6 HD22 LEU 6 -32.370 2.899 20.332 49 HD23 LEU 6 HD23 LEU 6 -31.759 4.218 19.333 50 H THR 7 HN THR 7 -32.330 -1.189 17.628 51 HA THR 7 HA THR 7 -30.610 -2.201 19.677 52 HB THR 7 HB THR 7 -32.031 -4.215 19.531 53 HG1 THR 7 HG1 THR 7 -33.245 -4.519 17.866 54 HG21 THR 7 HG21 THR 7 -33.866 -1.830 19.486 55 HG22 THR 7 HG22 THR 7 -32.650 -1.976 20.754 56 HG23 THR 7 HG23 THR 7 -33.882 -3.220 20.568 57 H ALA 8 HN ALA 8 -30.842 -2.654 16.230 58 HA ALA 8 HA ALA 8 -29.592 -5.156 15.954 59 HB1 ALA 8 HB1 ALA 8 -30.702 -4.025 14.069 60 HB2 ALA 8 HB2 ALA 8 -29.045 -4.463 13.662 61 HB3 ALA 8 HB3 ALA 8 -29.438 -2.792 14.062 62 H ASP 9 HN ASP 9 -28.327 -2.158 16.953 63 HA ASP 9 HA ASP 9 -25.629 -2.450 16.104 64 HB2 ASP 9 HB2 ASP 9 -25.115 -0.737 17.764 65 HB3 ASP 9 HB1 ASP 9 -26.583 -0.304 16.889 66 H ALA 10 HN ALA 10 -27.482 -4.015 18.509 67 HA ALA 10 HA ALA 10 -25.491 -4.609 20.417 68 HB1 ALA 10 HB1 ALA 10 -26.946 -6.617 20.968 69 HB2 ALA 10 HB2 ALA 10 -28.020 -6.101 19.670 70 HB3 ALA 10 HB3 ALA 10 -27.742 -5.049 21.058 71 H GLU 11 HN GLU 11 -26.320 -6.165 17.348 72 HA GLU 11 HA GLU 11 -24.744 -8.485 17.716 73 HB2 GLU 11 HB2 GLU 11 -25.683 -7.100 15.193 74 HB3 GLU 11 HB1 GLU 11 -24.754 -8.597 15.182 75 HG2 GLU 11 HG2 GLU 11 -26.457 -9.749 16.442 76 HG3 GLU 11 HG1 GLU 11 -27.344 -8.252 16.715 77 H LEU 12 HN LEU 12 -23.953 -5.246 16.543 78 HA LEU 12 HA LEU 12 -21.367 -5.874 15.570 79 HB2 LEU 12 HB2 LEU 12 -22.535 -3.257 16.557 80 HB3 LEU 12 HB1 LEU 12 -20.912 -3.401 15.897 81 HG LEU 12 HG LEU 12 -23.411 -4.279 14.415 82 HD11 LEU 12 HD11 LEU 12 -23.427 -1.845 14.861 83 HD12 LEU 12 HD12 LEU 12 -23.194 -2.188 13.148 84 HD13 LEU 12 HD13 LEU 12 -21.820 -1.712 14.146 85 HD21 LEU 12 HD21 LEU 12 -21.640 -3.856 12.471 86 HD22 LEU 12 HD22 LEU 12 -21.656 -5.383 13.341 87 HD23 LEU 12 HD23 LEU 12 -20.472 -4.146 13.759 88 H GLN 13 HN GLN 13 -22.564 -5.041 18.786 89 HA GLN 13 HA GLN 13 -20.025 -4.654 19.982 90 HB2 GLN 13 HB2 GLN 13 -22.696 -5.413 21.191 91 HB3 GLN 13 HB1 GLN 13 -21.240 -5.154 22.149 92 HG2 GLN 13 HG2 GLN 13 -21.051 -2.876 21.385 93 HG3 GLN 13 HG1 GLN 13 -22.340 -3.106 20.207 94 HE21 GLN 13 HE21 GLN 13 -22.265 -1.171 22.492 95 HE22 GLN 13 HE22 GLN 13 -23.621 -1.539 23.442 96 H ARG 14 HN ARG 14 -21.978 -7.557 19.431 97 HA ARG 14 HA ARG 14 -20.456 -9.300 21.050 98 HB2 ARG 14 HB2 ARG 14 -22.177 -9.851 18.616 99 HB3 ARG 14 HB1 ARG 14 -21.406 -11.116 19.572 100 HG2 ARG 14 HG2 ARG 14 -22.563 -10.316 21.590 101 HG3 ARG 14 HG1 ARG 14 -23.324 -9.031 20.651 102 HD2 ARG 14 HD2 ARG 14 -24.426 -10.714 19.231 103 HD3 ARG 14 HD1 ARG 14 -23.660 -12.003 20.154 104 HE ARG 14 HE ARG 14 -25.078 -10.345 21.939 105 HH11 ARG 14 HH11 ARG 14 -27.110 -11.032 22.689 106 HH12 ARG 14 HH12 ARG 14 -27.996 -12.226 21.801 107 HH21 ARG 14 HH21 ARG 14 -25.584 -12.566 19.334 108 HH22 ARG 14 HH22 ARG 14 -27.133 -13.093 19.901 109 H LEU 15 HN LEU 15 -20.033 -8.207 17.709 110 HA LEU 15 HA LEU 15 -18.020 -10.058 17.006 111 HB2 LEU 15 HB2 LEU 15 -19.162 -8.729 15.292 112 HB3 LEU 15 HB1 LEU 15 -18.463 -7.247 15.934 113 HG LEU 15 HG LEU 15 -16.193 -8.108 15.430 114 HD11 LEU 15 HD11 LEU 15 -16.291 -10.447 15.519 115 HD12 LEU 15 HD12 LEU 15 -16.254 -10.163 13.782 116 HD13 LEU 15 HD13 LEU 15 -17.784 -10.525 14.582 117 HD21 LEU 15 HD21 LEU 15 -18.186 -8.134 13.144 118 HD22 LEU 15 HD22 LEU 15 -16.437 -8.042 12.931 119 HD23 LEU 15 HD23 LEU 15 -17.294 -6.739 13.754 120 H LYS 16 HN LYS 16 -17.884 -6.919 18.644 121 HA LYS 16 HA LYS 16 -15.030 -6.743 18.670 122 HB2 LYS 16 HB2 LYS 16 -17.070 -5.458 20.511 123 HB3 LYS 16 HB1 LYS 16 -15.380 -4.987 20.360 124 HG2 LYS 16 HG2 LYS 16 -17.331 -4.939 18.040 125 HG3 LYS 16 HG1 LYS 16 -17.013 -3.543 19.065 126 HD2 LYS 16 HD2 LYS 16 -14.560 -3.784 18.470 127 HD3 LYS 16 HD1 LYS 16 -15.039 -4.991 17.278 128 HE2 LYS 16 HE2 LYS 16 -16.510 -3.355 16.183 129 HE3 LYS 16 HE1 LYS 16 -16.038 -2.137 17.368 130 HZ1 LYS 16 HZ1 LYS 16 -14.319 -1.662 16.082 131 HZ2 LYS 16 HZ2 LYS 16 -14.697 -2.930 15.015 132 HZ3 LYS 16 HZ3 LYS 16 -13.696 -3.216 16.358 133 H ASN 17 HN ASN 17 -17.346 -8.525 20.465 134 HA ASN 17 HA ASN 17 -15.556 -8.977 22.742 135 HB2 ASN 17 HB2 ASN 17 -18.310 -10.087 22.137 136 HB3 ASN 17 HB1 ASN 17 -17.417 -10.313 23.639 137 HD21 ASN 17 HD21 ASN 17 -16.519 -7.939 24.439 138 HD22 ASN 17 HD22 ASN 17 -17.738 -6.758 24.497 139 H GLU 18 HN GLU 18 -15.697 -10.115 19.691 140 HA GLU 18 HA GLU 18 -15.641 -12.924 19.998 141 HB2 GLU 18 HB2 GLU 18 -15.935 -11.864 17.789 142 HB3 GLU 18 HB1 GLU 18 -14.277 -11.270 17.843 143 HG2 GLU 18 HG2 GLU 18 -13.435 -13.574 17.955 144 HG3 GLU 18 HG1 GLU 18 -15.088 -14.188 17.966 145 H ALA 19 HN ALA 19 -13.094 -10.472 20.243 146 HA ALA 19 HA ALA 19 -10.907 -12.252 20.353 147 HB1 ALA 19 HB1 ALA 19 -11.243 -9.460 21.485 148 HB2 ALA 19 HB2 ALA 19 -10.396 -9.945 20.017 149 HB3 ALA 19 HB3 ALA 19 -9.739 -10.373 21.593 150 H ALA 20 HN ALA 20 -13.144 -11.126 22.849 151 HA ALA 20 HA ALA 20 -11.719 -12.090 25.084 152 HB1 ALA 20 HB1 ALA 20 -13.905 -12.078 26.261 153 HB2 ALA 20 HB2 ALA 20 -14.718 -11.774 24.729 154 HB3 ALA 20 HB3 ALA 20 -13.604 -10.577 25.391 155 H GLU 21 HN GLU 21 -13.743 -13.710 22.728 156 HA GLU 21 HA GLU 21 -14.232 -16.080 24.185 157 HB2 GLU 21 HB2 GLU 21 -15.470 -15.553 22.123 158 HB3 GLU 21 HB1 GLU 21 -14.003 -15.745 21.170 159 HG2 GLU 21 HG2 GLU 21 -15.332 -17.787 21.057 160 HG3 GLU 21 HG1 GLU 21 -13.846 -18.110 21.941 161 H GLU 22 HN GLU 22 -11.488 -15.059 22.186 162 HA GLU 22 HA GLU 22 -10.171 -17.554 22.110 163 HB2 GLU 22 HB2 GLU 22 -9.092 -14.728 21.895 164 HB3 GLU 22 HB1 GLU 22 -8.096 -16.169 21.693 165 HG2 GLU 22 HG2 GLU 22 -9.457 -16.926 19.839 166 HG3 GLU 22 HG1 GLU 22 -10.612 -15.621 20.099 167 H ALA 23 HN ALA 23 -10.198 -14.969 24.521 168 HA ALA 23 HA ALA 23 -8.018 -15.873 26.062 169 HB1 ALA 23 HB1 ALA 23 -9.170 -14.654 27.974 170 HB2 ALA 23 HB2 ALA 23 -10.463 -14.261 26.842 171 HB3 ALA 23 HB3 ALA 23 -8.824 -13.684 26.545 172 H GLU 24 HN GLU 24 -11.421 -16.853 26.033 173 HA GLU 24 HA GLU 24 -11.360 -18.383 28.404 174 HB2 GLU 24 HB2 GLU 24 -13.107 -18.615 25.937 175 HB3 GLU 24 HB1 GLU 24 -13.322 -19.605 27.381 176 HG2 GLU 24 HG2 GLU 24 -13.670 -17.635 28.750 177 HG3 GLU 24 HG1 GLU 24 -13.291 -16.578 27.391 178 H LEU 25 HN LEU 25 -10.439 -19.150 25.075 179 HA LEU 25 HA LEU 25 -10.160 -21.940 25.430 180 HB2 LEU 25 HB2 LEU 25 -8.824 -20.048 23.475 181 HB3 LEU 25 HB1 LEU 25 -8.621 -21.795 23.432 182 HG LEU 25 HG LEU 25 -11.315 -20.406 23.327 183 HD11 LEU 25 HD11 LEU 25 -9.446 -21.332 21.141 184 HD12 LEU 25 HD12 LEU 25 -10.232 -19.763 21.321 185 HD13 LEU 25 HD13 LEU 25 -11.183 -21.179 20.870 186 HD21 LEU 25 HD21 LEU 25 -10.386 -23.267 23.192 187 HD22 LEU 25 HD22 LEU 25 -11.781 -22.797 22.224 188 HD23 LEU 25 HD23 LEU 25 -11.815 -22.589 23.970 189 H GLU 26 HN GLU 26 -7.987 -19.236 26.088 190 HA GLU 26 HA GLU 26 -5.641 -20.767 26.508 191 HB2 GLU 26 HB2 GLU 26 -6.460 -18.083 27.659 192 HB3 GLU 26 HB1 GLU 26 -4.845 -18.780 27.781 193 HG2 GLU 26 HG2 GLU 26 -6.267 -18.288 25.152 194 HG3 GLU 26 HG1 GLU 26 -5.116 -17.161 25.872 195 H ARG 27 HN ARG 27 -8.464 -20.207 28.449 196 HA ARG 27 HA ARG 27 -7.377 -20.742 30.993 197 HB2 ARG 27 HB2 ARG 27 -9.651 -19.792 30.679 198 HB3 ARG 27 HB1 ARG 27 -10.204 -21.327 30.029 199 HG2 ARG 27 HG2 ARG 27 -10.875 -21.432 32.276 200 HG3 ARG 27 HG1 ARG 27 -9.365 -22.332 32.289 201 HD2 ARG 27 HD2 ARG 27 -9.450 -20.759 34.170 202 HD3 ARG 27 HD1 ARG 27 -8.168 -20.302 33.062 203 HE ARG 27 HE ARG 27 -10.567 -18.948 32.374 204 HH11 ARG 27 HH11 ARG 27 -10.742 -16.753 32.929 205 HH12 ARG 27 HH12 ARG 27 -9.709 -16.090 34.152 206 HH21 ARG 27 HH21 ARG 27 -8.065 -19.082 34.759 207 HH22 ARG 27 HH22 ARG 27 -8.194 -17.408 35.188 208 H LEU 28 HN LEU 28 -8.541 -22.895 28.432 209 HA LEU 28 HA LEU 28 -8.421 -25.283 29.970 210 HB2 LEU 28 HB2 LEU 28 -8.280 -24.847 26.972 211 HB3 LEU 28 HB1 LEU 28 -8.394 -26.427 27.739 212 HG LEU 28 HG LEU 28 -10.401 -24.192 28.149 213 HD11 LEU 28 HD11 LEU 28 -11.867 -25.592 26.679 214 HD12 LEU 28 HD12 LEU 28 -10.473 -26.614 26.326 215 HD13 LEU 28 HD13 LEU 28 -10.473 -24.921 25.832 216 HD21 LEU 28 HD21 LEU 28 -10.141 -27.024 29.143 217 HD22 LEU 28 HD22 LEU 28 -11.754 -26.388 28.832 218 HD23 LEU 28 HD23 LEU 28 -10.707 -25.587 29.994 219 H LYS 29 HN LYS 29 -6.031 -23.404 28.254 220 HA LYS 29 HA LYS 29 -4.048 -25.388 27.976 221 HB2 LYS 29 HB2 LYS 29 -3.884 -23.227 26.810 222 HB3 LYS 29 HB1 LYS 29 -3.643 -22.399 28.347 223 HG2 LYS 29 HG2 LYS 29 -1.586 -23.702 28.736 224 HG3 LYS 29 HG1 LYS 29 -1.837 -24.556 27.213 225 HD2 LYS 29 HD2 LYS 29 -1.685 -22.422 25.987 226 HD3 LYS 29 HD1 LYS 29 -1.441 -21.564 27.509 227 HE2 LYS 29 HE2 LYS 29 0.617 -22.856 27.918 228 HE3 LYS 29 HE1 LYS 29 0.374 -23.729 26.405 229 HZ1 LYS 29 HZ1 LYS 29 0.736 -20.792 26.662 230 HZ2 LYS 29 HZ2 LYS 29 0.531 -21.647 25.207 231 HZ3 LYS 29 HZ3 LYS 29 1.926 -21.887 26.148 232 H SER 30 HN SER 30 -4.869 -23.271 30.704 233 HA SER 30 HA SER 30 -2.618 -23.849 32.302 234 HB2 SER 30 HB2 SER 30 -3.988 -23.067 34.176 235 HB3 SER 30 HB1 SER 30 -4.188 -22.008 32.784 236 HG SER 30 HG SER 30 -5.967 -23.775 33.979 237 H GLU 31 HN GLU 31 -5.659 -25.541 31.789 238 HA GLU 31 HA GLU 31 -5.436 -27.366 33.938 239 HB2 GLU 31 HB2 GLU 31 -6.911 -27.576 31.298 240 HB3 GLU 31 HB1 GLU 31 -7.001 -28.800 32.564 241 HG2 GLU 31 HG2 GLU 31 -7.885 -27.196 34.143 242 HG3 GLU 31 HG1 GLU 31 -7.634 -25.873 33.007 243 H ARG 32 HN ARG 32 -4.132 -27.402 30.651 244 HA ARG 32 HA ARG 32 -2.620 -28.820 29.619 245 HB2 ARG 32 HB2 ARG 32 -1.814 -29.230 32.511 246 HB3 ARG 32 HB1 ARG 32 -0.878 -29.787 31.124 247 HG2 ARG 32 HG2 ARG 32 -0.706 -27.470 30.300 248 HG3 ARG 32 HG1 ARG 32 -1.643 -26.906 31.684 249 HD2 ARG 32 HD2 ARG 32 0.088 -27.790 33.210 250 HD3 ARG 32 HD1 ARG 32 1.030 -28.330 31.823 251 HE ARG 32 HE ARG 32 0.500 -25.579 31.524 252 HH11 ARG 32 HH11 ARG 32 2.130 -24.085 32.045 253 HH12 ARG 32 HH12 ARG 32 3.423 -24.554 33.097 254 HH21 ARG 32 HH21 ARG 32 2.239 -27.783 33.545 255 HH22 ARG 32 HH22 ARG 32 3.485 -26.649 33.946 256 H HIS 33 HN HIS 33 -5.184 -29.890 30.027 257 HA HIS 33 HA HIS 33 -5.228 -32.446 31.213 258 HB2 HIS 33 HB2 HIS 33 -7.284 -31.264 30.531 259 HB3 HIS 33 HB1 HIS 33 -6.837 -31.468 28.835 260 HD2 HIS 33 HD2 HIS 33 -8.184 -33.642 31.820 261 HE1 HIS 33 HE1 HIS 33 -8.175 -36.037 28.343 262 HE2 HIS 33 HE2 HIS 33 -8.894 -35.928 30.777 263 H ASP 34 HN ASP 34 -4.551 -31.460 27.863 264 HA ASP 34 HA ASP 34 -3.841 -34.205 27.127 265 HB2 ASP 34 HB2 ASP 34 -5.104 -32.808 25.527 266 HB3 ASP 34 HB1 ASP 34 -3.762 -31.664 25.477 267 H HIS 35 HN HIS 35 -1.915 -34.849 27.893 268 HA HIS 35 HA HIS 35 0.466 -33.285 27.144 269 HB2 HIS 35 HB2 HIS 35 -0.188 -32.771 29.544 270 HB3 HIS 35 HB1 HIS 35 0.148 -34.463 29.912 271 HD2 HIS 35 HD2 HIS 35 2.086 -31.159 29.300 272 HE1 HIS 35 HE1 HIS 35 4.953 -34.242 29.622 273 HE2 HIS 35 HE2 HIS 35 4.627 -31.726 29.512 274 H ASP 36 HN ASP 36 -1.124 -36.278 27.807 275 HA ASP 36 HA ASP 36 1.107 -37.996 27.925 276 HB2 ASP 36 HB2 ASP 36 -1.751 -38.505 27.066 277 HB3 ASP 36 HB1 ASP 36 -0.532 -39.773 27.155 278 H LYS 37 HN LYS 37 -0.644 -36.645 25.171 279 HA LYS 37 HA LYS 37 0.471 -38.305 23.187 280 HB2 LYS 37 HB2 LYS 37 -0.598 -35.473 23.034 281 HB3 LYS 37 HB1 LYS 37 -0.049 -36.387 21.631 282 HG2 LYS 37 HG2 LYS 37 -1.696 -38.102 22.002 283 HG3 LYS 37 HG1 LYS 37 -2.134 -37.420 23.564 284 HD2 LYS 37 HD2 LYS 37 -3.839 -36.741 22.016 285 HD3 LYS 37 HD1 LYS 37 -2.848 -35.320 22.332 286 HE2 LYS 37 HE2 LYS 37 -1.671 -35.589 20.238 287 HE3 LYS 37 HE1 LYS 37 -2.431 -37.155 19.957 288 HZ1 LYS 37 HZ1 LYS 37 -3.377 -35.048 18.831 289 HZ2 LYS 37 HZ2 LYS 37 -4.094 -34.760 20.343 290 HZ3 LYS 37 HZ3 LYS 37 -4.446 -36.187 19.490 291 H LYS 38 HN LYS 38 1.702 -35.418 24.795 292 HA LYS 38 HA LYS 38 3.829 -34.887 23.015 293 HB2 LYS 38 HB2 LYS 38 3.512 -34.267 25.964 294 HB3 LYS 38 HB1 LYS 38 4.881 -33.722 24.996 295 HG2 LYS 38 HG2 LYS 38 3.342 -32.584 23.446 296 HG3 LYS 38 HG1 LYS 38 1.967 -33.130 24.405 297 HD2 LYS 38 HD2 LYS 38 2.829 -31.898 26.358 298 HD3 LYS 38 HD1 LYS 38 4.211 -31.352 25.407 299 HE2 LYS 38 HE2 LYS 38 2.688 -30.204 23.842 300 HE3 LYS 38 HE1 LYS 38 1.303 -30.752 24.786 301 HZ1 LYS 38 HZ1 LYS 38 3.030 -28.546 25.252 302 HZ2 LYS 38 HZ2 LYS 38 3.011 -29.585 26.596 303 HZ3 LYS 38 HZ3 LYS 38 1.559 -28.933 26.002 304 H GLU 39 HN GLU 39 3.551 -37.108 25.756 305 HA GLU 39 HA GLU 39 6.290 -37.759 25.960 306 HB2 GLU 39 HB2 GLU 39 3.812 -39.333 26.711 307 HB3 GLU 39 HB1 GLU 39 5.452 -39.884 27.044 308 HG2 GLU 39 HG2 GLU 39 5.907 -37.917 28.381 309 HG3 GLU 39 HG1 GLU 39 4.354 -37.208 27.940 310 H ALA 40 HN ALA 40 3.726 -38.993 23.864 311 HA ALA 40 HA ALA 40 5.099 -41.264 22.894 312 HB1 ALA 40 HB1 ALA 40 2.692 -40.946 22.504 313 HB2 ALA 40 HB2 ALA 40 3.551 -41.183 20.985 314 HB3 ALA 40 HB3 ALA 40 3.035 -39.567 21.458 315 H GLU 41 HN GLU 41 5.477 -37.892 22.242 316 HA GLU 41 HA GLU 41 6.662 -37.997 19.685 317 HB2 GLU 41 HB2 GLU 41 5.928 -35.882 20.770 318 HB3 GLU 41 HB1 GLU 41 7.278 -36.018 21.899 319 HG2 GLU 41 HG2 GLU 41 8.873 -35.941 20.039 320 HG3 GLU 41 HG1 GLU 41 7.544 -35.874 18.883 321 H ARG 42 HN ARG 42 7.882 -38.803 22.825 322 HA ARG 42 HA ARG 42 10.645 -38.570 22.366 323 HB2 ARG 42 HB2 ARG 42 9.118 -40.467 24.167 324 HB3 ARG 42 HB1 ARG 42 10.861 -40.237 24.222 325 HG2 ARG 42 HG2 ARG 42 9.025 -37.857 24.457 326 HG3 ARG 42 HG1 ARG 42 9.342 -38.867 25.863 327 HD2 ARG 42 HD2 ARG 42 11.491 -37.529 24.187 328 HD3 ARG 42 HD1 ARG 42 10.891 -36.927 25.723 329 HE ARG 42 HE ARG 42 11.688 -39.552 26.176 330 HH11 ARG 42 HH11 ARG 42 13.755 -40.005 27.000 331 HH12 ARG 42 HH12 ARG 42 15.032 -38.852 26.804 332 HH21 ARG 42 HH21 ARG 42 13.062 -36.562 25.102 333 HH22 ARG 42 HH22 ARG 42 14.640 -36.903 25.730 334 H LYS 43 HN LYS 43 8.379 -40.754 21.051 335 HA LYS 43 HA LYS 43 9.848 -43.108 20.757 336 HB2 LYS 43 HB2 LYS 43 8.382 -43.655 18.918 337 HB3 LYS 43 HB1 LYS 43 7.435 -42.833 20.156 338 HG2 LYS 43 HG2 LYS 43 7.696 -40.696 18.884 339 HG3 LYS 43 HG1 LYS 43 8.551 -41.580 17.623 340 HD2 LYS 43 HD2 LYS 43 6.584 -43.018 17.275 341 HD3 LYS 43 HD1 LYS 43 5.715 -42.134 18.529 342 HE2 LYS 43 HE2 LYS 43 5.938 -40.052 17.223 343 HE3 LYS 43 HE1 LYS 43 6.811 -40.932 15.968 344 HZ1 LYS 43 HZ1 LYS 43 4.842 -41.366 15.078 345 HZ2 LYS 43 HZ2 LYS 43 4.008 -40.759 16.428 346 HZ3 LYS 43 HZ3 LYS 43 4.521 -42.379 16.401 347 H ALA 44 HN ALA 44 10.396 -40.046 19.323 348 HA ALA 44 HA ALA 44 11.595 -40.794 16.892 349 HB1 ALA 44 HB1 ALA 44 12.039 -38.373 18.654 350 HB2 ALA 44 HB2 ALA 44 11.124 -38.485 17.152 351 HB3 ALA 44 HB3 ALA 44 12.880 -38.603 17.122 352 H LEU 45 HN LEU 45 12.941 -40.673 20.164 353 HA LEU 45 HA LEU 45 15.649 -40.996 19.427 354 HB2 LEU 45 HB2 LEU 45 14.175 -41.672 21.985 355 HB3 LEU 45 HB1 LEU 45 15.901 -41.947 21.784 356 HG LEU 45 HG LEU 45 15.376 -39.766 22.878 357 HD11 LEU 45 HD11 LEU 45 17.101 -38.637 21.841 358 HD12 LEU 45 HD12 LEU 45 16.543 -39.022 20.216 359 HD13 LEU 45 HD13 LEU 45 17.372 -40.246 21.177 360 HD21 LEU 45 HD21 LEU 45 14.343 -38.839 20.196 361 HD22 LEU 45 HD22 LEU 45 14.222 -38.032 21.758 362 HD23 LEU 45 HD23 LEU 45 13.253 -39.468 21.435 363 H GLU 46 HN GLU 46 13.032 -43.315 19.909 364 HA GLU 46 HA GLU 46 14.608 -45.650 19.952 365 HB2 GLU 46 HB2 GLU 46 11.738 -45.232 19.066 366 HB3 GLU 46 HB1 GLU 46 12.506 -46.811 19.210 367 HG2 GLU 46 HG2 GLU 46 12.389 -44.812 21.478 368 HG3 GLU 46 HG1 GLU 46 11.196 -46.088 21.247 369 H ASP 47 HN ASP 47 13.365 -43.709 17.270 370 HA ASP 47 HA ASP 47 13.880 -45.557 15.206 371 HB2 ASP 47 HB2 ASP 47 13.774 -42.529 15.184 372 HB3 ASP 47 HB1 ASP 47 14.013 -43.496 13.732 373 H LYS 48 HN LYS 48 15.981 -43.233 16.850 374 HA LYS 48 HA LYS 48 18.297 -43.190 16.976 375 HB2 LYS 48 HB2 LYS 48 17.889 -45.791 16.493 376 HB3 LYS 48 HB1 LYS 48 18.601 -45.376 14.938 377 HG2 LYS 48 HG2 LYS 48 20.509 -45.926 16.166 378 HG3 LYS 48 HG1 LYS 48 20.442 -44.183 16.412 379 HD2 LYS 48 HD2 LYS 48 19.368 -44.484 18.583 380 HD3 LYS 48 HD1 LYS 48 19.263 -46.225 18.325 381 HE2 LYS 48 HE2 LYS 48 21.177 -45.789 19.743 382 HE3 LYS 48 HE1 LYS 48 21.769 -46.286 18.158 383 HZ1 LYS 48 HZ1 LYS 48 21.392 -43.443 18.885 384 HZ2 LYS 48 HZ2 LYS 48 22.284 -44.088 17.592 385 HZ3 LYS 48 HZ3 LYS 48 22.845 -44.265 19.186 386 H LEU 49 HN LEU 49 16.477 -43.015 14.105 387 HA LEU 49 HA LEU 49 18.492 -42.255 12.265 388 HB2 LEU 49 HB2 LEU 49 15.525 -41.641 12.312 389 HB3 LEU 49 HB1 LEU 49 16.592 -41.210 10.981 390 HG LEU 49 HG LEU 49 16.255 -44.034 12.034 391 HD11 LEU 49 HD11 LEU 49 14.145 -43.271 11.091 392 HD12 LEU 49 HD12 LEU 49 14.910 -44.383 9.956 393 HD13 LEU 49 HD13 LEU 49 14.972 -42.645 9.664 394 HD21 LEU 49 HD21 LEU 49 18.283 -44.087 10.887 395 HD22 LEU 49 HD22 LEU 49 17.837 -42.768 9.805 396 HD23 LEU 49 HD23 LEU 49 17.176 -44.381 9.549 397 H ALA 50 HN ALA 50 16.653 -40.443 14.662 398 HA ALA 50 HA ALA 50 17.265 -37.846 13.751 399 HB1 ALA 50 HB1 ALA 50 15.544 -38.220 15.451 400 HB2 ALA 50 HB2 ALA 50 16.767 -37.103 16.052 401 HB3 ALA 50 HB3 ALA 50 16.767 -38.779 16.595 402 H ASP 51 HN ASP 51 19.197 -40.195 15.454 403 HA ASP 51 HA ASP 51 21.091 -38.454 16.604 404 HB2 ASP 51 HB2 ASP 51 21.345 -41.327 15.678 405 HB3 ASP 51 HB1 ASP 51 22.649 -40.451 16.475 406 H TYR 52 HN TYR 52 20.823 -39.788 13.333 407 HA TYR 52 HA TYR 52 22.507 -37.704 12.301 408 HB2 TYR 52 HB2 TYR 52 24.267 -39.189 13.102 409 HB3 TYR 52 HB1 TYR 52 23.534 -40.553 12.257 410 HD1 TYR 52 HD1 TYR 52 25.066 -37.191 11.740 411 HD2 TYR 52 HD2 TYR 52 23.973 -40.943 9.955 412 HE1 TYR 52 HE1 TYR 52 26.293 -36.568 9.677 413 HE2 TYR 52 HE2 TYR 52 25.201 -40.319 7.892 414 HH TYR 52 HH TYR 52 26.289 -38.696 6.824 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 -41.224 -10.529 16.116 2 H2 GLY 1 HT2 GLY 1 -39.953 -11.300 16.938 3 H3 GLY 1 HT3 GLY 1 -39.745 -9.726 16.333 4 HA2 GLY 1 HA2 GLY 1 -41.908 -9.421 17.912 5 HA3 GLY 1 HA1 GLY 1 -40.948 -10.609 18.797 6 H SER 2 HN SER 2 -39.436 -9.813 20.113 7 HA SER 2 HA SER 2 -38.899 -7.048 20.341 8 HB2 SER 2 HB2 SER 2 -37.206 -7.706 21.971 9 HB3 SER 2 HB1 SER 2 -38.666 -8.663 22.205 10 HG SER 2 HG SER 2 -36.164 -9.393 21.186 11 H VAL 3 HN VAL 3 -37.504 -9.542 18.397 12 HA VAL 3 HA VAL 3 -34.934 -8.505 17.957 13 HB VAL 3 HB VAL 3 -35.822 -10.760 17.174 14 HG11 VAL 3 HG11 VAL 3 -37.835 -9.635 15.999 15 HG12 VAL 3 HG12 VAL 3 -37.005 -10.919 15.122 16 HG13 VAL 3 HG13 VAL 3 -36.697 -9.230 14.716 17 HG21 VAL 3 HG21 VAL 3 -33.625 -10.078 16.500 18 HG22 VAL 3 HG22 VAL 3 -34.271 -8.923 15.334 19 HG23 VAL 3 HG23 VAL 3 -34.433 -10.655 15.042 20 H GLU 4 HN GLU 4 -38.040 -7.579 16.655 21 HA GLU 4 HA GLU 4 -37.124 -6.028 14.476 22 HB2 GLU 4 HB2 GLU 4 -39.486 -6.698 14.696 23 HB3 GLU 4 HB1 GLU 4 -39.667 -5.637 16.092 24 HG2 GLU 4 HG2 GLU 4 -39.111 -3.688 14.709 25 HG3 GLU 4 HG1 GLU 4 -38.857 -4.735 13.314 26 H LYS 5 HN LYS 5 -37.565 -5.249 17.904 27 HA LYS 5 HA LYS 5 -37.145 -2.448 17.609 28 HB2 LYS 5 HB2 LYS 5 -36.810 -4.258 20.019 29 HB3 LYS 5 HB1 LYS 5 -36.749 -2.498 20.072 30 HG2 LYS 5 HG2 LYS 5 -39.035 -2.385 19.148 31 HG3 LYS 5 HG1 LYS 5 -39.103 -4.147 19.106 32 HD2 LYS 5 HD2 LYS 5 -38.807 -4.232 21.546 33 HD3 LYS 5 HD1 LYS 5 -38.707 -2.473 21.602 34 HE2 LYS 5 HE2 LYS 5 -40.976 -3.190 22.182 35 HE3 LYS 5 HE1 LYS 5 -40.995 -2.334 20.641 36 HZ1 LYS 5 HZ1 LYS 5 -41.284 -4.277 19.462 37 HZ2 LYS 5 HZ2 LYS 5 -42.227 -4.567 20.846 38 HZ3 LYS 5 HZ3 LYS 5 -40.683 -5.261 20.706 39 H LEU 6 HN LEU 6 -35.147 -1.897 19.528 40 HA LEU 6 HA LEU 6 -32.763 -2.306 17.901 41 HB2 LEU 6 HB2 LEU 6 -33.152 -0.738 20.465 42 HB3 LEU 6 HB1 LEU 6 -31.721 -0.703 19.437 43 HG LEU 6 HG LEU 6 -34.509 0.108 18.560 44 HD11 LEU 6 HD11 LEU 6 -33.657 1.734 20.126 45 HD12 LEU 6 HD12 LEU 6 -33.459 2.405 18.507 46 HD13 LEU 6 HD13 LEU 6 -32.071 1.722 19.355 47 HD21 LEU 6 HD21 LEU 6 -33.441 -0.539 16.578 48 HD22 LEU 6 HD22 LEU 6 -31.841 -0.090 17.169 49 HD23 LEU 6 HD23 LEU 6 -32.981 1.159 16.671 50 H THR 7 HN THR 7 -34.264 -4.117 20.145 51 HA THR 7 HA THR 7 -32.273 -4.804 22.015 52 HB THR 7 HB THR 7 -34.512 -6.495 20.902 53 HG1 THR 7 HG1 THR 7 -34.335 -4.938 23.260 54 HG21 THR 7 HG21 THR 7 -32.978 -7.956 21.989 55 HG22 THR 7 HG22 THR 7 -34.239 -7.625 23.175 56 HG23 THR 7 HG23 THR 7 -32.686 -6.796 23.287 57 H ALA 8 HN ALA 8 -32.944 -6.016 18.749 58 HA ALA 8 HA ALA 8 -31.299 -8.288 18.792 59 HB1 ALA 8 HB1 ALA 8 -31.280 -8.120 16.334 60 HB2 ALA 8 HB2 ALA 8 -31.960 -6.497 16.438 61 HB3 ALA 8 HB3 ALA 8 -32.902 -7.887 16.983 62 H ASP 9 HN ASP 9 -30.439 -4.956 18.749 63 HA ASP 9 HA ASP 9 -27.950 -5.168 17.391 64 HB2 ASP 9 HB2 ASP 9 -27.377 -3.039 18.364 65 HB3 ASP 9 HB1 ASP 9 -29.081 -2.999 17.924 66 H ALA 10 HN ALA 10 -28.971 -6.234 20.482 67 HA ALA 10 HA ALA 10 -26.531 -6.104 21.896 68 HB1 ALA 10 HB1 ALA 10 -28.930 -7.920 22.217 69 HB2 ALA 10 HB2 ALA 10 -28.442 -6.552 23.214 70 HB3 ALA 10 HB3 ALA 10 -27.506 -8.043 23.250 71 H GLU 11 HN GLU 11 -27.803 -8.565 19.666 72 HA GLU 11 HA GLU 11 -25.780 -10.485 20.161 73 HB2 GLU 11 HB2 GLU 11 -27.559 -10.046 17.742 74 HB3 GLU 11 HB1 GLU 11 -26.426 -11.384 17.884 75 HG2 GLU 11 HG2 GLU 11 -28.444 -12.298 18.670 76 HG3 GLU 11 HG1 GLU 11 -27.596 -11.873 20.151 77 H LEU 12 HN LEU 12 -25.940 -7.703 17.985 78 HA LEU 12 HA LEU 12 -23.640 -8.324 16.469 79 HB2 LEU 12 HB2 LEU 12 -25.009 -5.691 17.062 80 HB3 LEU 12 HB1 LEU 12 -23.562 -5.799 16.064 81 HG LEU 12 HG LEU 12 -24.697 -7.354 14.544 82 HD11 LEU 12 HD11 LEU 12 -27.268 -7.535 14.913 83 HD12 LEU 12 HD12 LEU 12 -26.908 -7.105 16.584 84 HD13 LEU 12 HD13 LEU 12 -26.215 -8.566 15.878 85 HD21 LEU 12 HD21 LEU 12 -26.483 -5.753 13.727 86 HD22 LEU 12 HD22 LEU 12 -24.906 -5.013 13.999 87 HD23 LEU 12 HD23 LEU 12 -26.196 -4.797 15.181 88 H GLN 13 HN GLN 13 -24.053 -6.696 19.579 89 HA GLN 13 HA GLN 13 -21.398 -5.733 19.797 90 HB2 GLN 13 HB2 GLN 13 -23.464 -6.365 21.921 91 HB3 GLN 13 HB1 GLN 13 -21.877 -5.695 22.286 92 HG2 GLN 13 HG2 GLN 13 -22.316 -3.731 20.961 93 HG3 GLN 13 HG1 GLN 13 -23.810 -4.420 20.332 94 HE21 GLN 13 HE21 GLN 13 -23.478 -1.907 21.929 95 HE22 GLN 13 HE22 GLN 13 -24.440 -2.119 23.311 96 H ARG 14 HN ARG 14 -22.879 -8.841 20.611 97 HA ARG 14 HA ARG 14 -20.709 -9.890 22.076 98 HB2 ARG 14 HB2 ARG 14 -22.923 -10.963 22.100 99 HB3 ARG 14 HB1 ARG 14 -22.735 -11.420 20.408 100 HG2 ARG 14 HG2 ARG 14 -20.779 -12.782 20.960 101 HG3 ARG 14 HG1 ARG 14 -20.874 -12.268 22.645 102 HD2 ARG 14 HD2 ARG 14 -21.898 -14.463 22.415 103 HD3 ARG 14 HD1 ARG 14 -23.143 -13.280 22.793 104 HE ARG 14 HE ARG 14 -22.682 -14.536 20.153 105 HH11 ARG 14 HH11 ARG 14 -24.505 -14.580 18.824 106 HH12 ARG 14 HH12 ARG 14 -25.942 -13.733 19.293 107 HH21 ARG 14 HH21 ARG 14 -24.610 -12.536 22.254 108 HH22 ARG 14 HH22 ARG 14 -26.000 -12.584 21.226 109 H LEU 15 HN LEU 15 -21.360 -9.811 18.585 110 HA LEU 15 HA LEU 15 -19.255 -11.543 17.844 111 HB2 LEU 15 HB2 LEU 15 -21.030 -10.982 16.255 112 HB3 LEU 15 HB1 LEU 15 -20.521 -9.298 16.232 113 HG LEU 15 HG LEU 15 -18.319 -9.985 15.322 114 HD11 LEU 15 HD11 LEU 15 -18.349 -12.451 14.395 115 HD12 LEU 15 HD12 LEU 15 -19.523 -12.724 15.684 116 HD13 LEU 15 HD13 LEU 15 -17.897 -12.163 16.074 117 HD21 LEU 15 HD21 LEU 15 -20.328 -9.462 13.865 118 HD22 LEU 15 HD22 LEU 15 -20.578 -11.200 13.714 119 HD23 LEU 15 HD23 LEU 15 -19.098 -10.467 13.097 120 H LYS 16 HN LYS 16 -19.346 -8.040 18.414 121 HA LYS 16 HA LYS 16 -16.682 -7.554 17.521 122 HB2 LYS 16 HB2 LYS 16 -18.489 -5.992 19.377 123 HB3 LYS 16 HB1 LYS 16 -16.913 -5.419 18.833 124 HG2 LYS 16 HG2 LYS 16 -17.716 -5.754 16.452 125 HG3 LYS 16 HG1 LYS 16 -19.324 -6.051 17.108 126 HD2 LYS 16 HD2 LYS 16 -17.751 -3.531 17.693 127 HD3 LYS 16 HD1 LYS 16 -18.872 -3.664 16.341 128 HE2 LYS 16 HE2 LYS 16 -19.574 -4.013 19.276 129 HE3 LYS 16 HE1 LYS 16 -19.998 -2.645 18.258 130 HZ1 LYS 16 HZ1 LYS 16 -20.903 -5.449 17.929 131 HZ2 LYS 16 HZ2 LYS 16 -21.189 -4.217 16.794 132 HZ3 LYS 16 HZ3 LYS 16 -21.853 -4.110 18.355 133 H ASN 17 HN ASN 17 -18.053 -8.826 20.425 134 HA ASN 17 HA ASN 17 -15.552 -8.457 21.941 135 HB2 ASN 17 HB2 ASN 17 -17.905 -8.065 22.930 136 HB3 ASN 17 HB1 ASN 17 -18.049 -9.822 22.948 137 HD21 ASN 17 HD21 ASN 17 -17.931 -10.070 25.255 138 HD22 ASN 17 HD22 ASN 17 -16.534 -9.690 26.142 139 H GLU 18 HN GLU 18 -16.049 -10.347 19.589 140 HA GLU 18 HA GLU 18 -16.039 -13.008 20.551 141 HB2 GLU 18 HB2 GLU 18 -15.238 -13.617 18.333 142 HB3 GLU 18 HB1 GLU 18 -16.491 -12.386 18.188 143 HG2 GLU 18 HG2 GLU 18 -14.698 -10.647 18.036 144 HG3 GLU 18 HG1 GLU 18 -13.494 -11.935 18.041 145 H ALA 19 HN ALA 19 -13.654 -10.551 20.564 146 HA ALA 19 HA ALA 19 -11.302 -12.106 20.480 147 HB1 ALA 19 HB1 ALA 19 -11.853 -9.424 21.781 148 HB2 ALA 19 HB2 ALA 19 -11.028 -9.749 20.258 149 HB3 ALA 19 HB3 ALA 19 -10.264 -10.188 21.784 150 H ALA 20 HN ALA 20 -13.512 -11.346 23.135 151 HA ALA 20 HA ALA 20 -11.886 -12.288 25.243 152 HB1 ALA 20 HB1 ALA 20 -14.916 -12.271 25.062 153 HB2 ALA 20 HB2 ALA 20 -13.904 -10.967 25.688 154 HB3 ALA 20 HB3 ALA 20 -13.976 -12.512 26.533 155 H GLU 21 HN GLU 21 -13.772 -13.951 22.837 156 HA GLU 21 HA GLU 21 -14.075 -16.426 24.164 157 HB2 GLU 21 HB2 GLU 21 -15.332 -15.890 22.112 158 HB3 GLU 21 HB1 GLU 21 -13.840 -15.946 21.172 159 HG2 GLU 21 HG2 GLU 21 -13.516 -18.299 21.785 160 HG3 GLU 21 HG1 GLU 21 -14.967 -18.250 22.788 161 H GLU 22 HN GLU 22 -11.411 -15.085 22.249 162 HA GLU 22 HA GLU 22 -9.898 -17.467 22.079 163 HB2 GLU 22 HB2 GLU 22 -9.398 -15.503 20.670 164 HB3 GLU 22 HB1 GLU 22 -8.865 -14.609 22.091 165 HG2 GLU 22 HG2 GLU 22 -7.100 -16.265 22.497 166 HG3 GLU 22 HG1 GLU 22 -7.655 -17.213 21.119 167 H ALA 23 HN ALA 23 -10.108 -14.962 24.573 168 HA ALA 23 HA ALA 23 -7.905 -15.809 26.116 169 HB1 ALA 23 HB1 ALA 23 -8.827 -13.671 26.640 170 HB2 ALA 23 HB2 ALA 23 -9.121 -14.695 28.044 171 HB3 ALA 23 HB3 ALA 23 -10.434 -14.344 26.923 172 H GLU 24 HN GLU 24 -11.256 -16.941 25.999 173 HA GLU 24 HA GLU 24 -11.171 -18.539 28.323 174 HB2 GLU 24 HB2 GLU 24 -12.854 -18.775 25.812 175 HB3 GLU 24 HB1 GLU 24 -13.054 -19.817 27.220 176 HG2 GLU 24 HG2 GLU 24 -13.535 -17.919 28.638 177 HG3 GLU 24 HG1 GLU 24 -13.152 -16.793 27.338 178 H LEU 25 HN LEU 25 -10.147 -19.155 24.995 179 HA LEU 25 HA LEU 25 -9.757 -21.937 25.262 180 HB2 LEU 25 HB2 LEU 25 -9.794 -20.880 23.054 181 HB3 LEU 25 HB1 LEU 25 -8.320 -19.992 23.421 182 HG LEU 25 HG LEU 25 -7.098 -22.135 23.667 183 HD11 LEU 25 HD11 LEU 25 -8.432 -24.165 22.648 184 HD12 LEU 25 HD12 LEU 25 -9.853 -23.251 23.157 185 HD13 LEU 25 HD13 LEU 25 -8.652 -23.753 24.347 186 HD21 LEU 25 HD21 LEU 25 -8.644 -21.685 21.102 187 HD22 LEU 25 HD22 LEU 25 -7.305 -22.826 21.230 188 HD23 LEU 25 HD23 LEU 25 -7.025 -21.106 21.497 189 H GLU 26 HN GLU 26 -7.660 -19.178 26.010 190 HA GLU 26 HA GLU 26 -5.309 -20.656 26.506 191 HB2 GLU 26 HB2 GLU 26 -6.233 -17.974 27.575 192 HB3 GLU 26 HB1 GLU 26 -4.647 -18.665 27.918 193 HG2 GLU 26 HG2 GLU 26 -4.097 -18.730 25.562 194 HG3 GLU 26 HG1 GLU 26 -5.730 -18.232 25.124 195 H ARG 27 HN ARG 27 -8.096 -19.905 28.551 196 HA ARG 27 HA ARG 27 -6.977 -20.720 31.005 197 HB2 ARG 27 HB2 ARG 27 -9.090 -19.468 30.911 198 HB3 ARG 27 HB1 ARG 27 -9.893 -20.846 30.160 199 HG2 ARG 27 HG2 ARG 27 -9.489 -22.216 32.126 200 HG3 ARG 27 HG1 ARG 27 -8.528 -20.934 32.865 201 HD2 ARG 27 HD2 ARG 27 -11.445 -20.638 32.104 202 HD3 ARG 27 HD1 ARG 27 -10.887 -21.051 33.722 203 HE ARG 27 HE ARG 27 -9.543 -18.721 32.944 204 HH11 ARG 27 HH11 ARG 27 -10.301 -16.695 33.637 205 HH12 ARG 27 HH12 ARG 27 -11.951 -16.518 34.136 206 HH21 ARG 27 HH21 ARG 27 -12.756 -19.843 33.562 207 HH22 ARG 27 HH22 ARG 27 -13.341 -18.300 34.093 208 H LEU 28 HN LEU 28 -8.538 -22.567 28.417 209 HA LEU 28 HA LEU 28 -8.753 -25.001 29.827 210 HB2 LEU 28 HB2 LEU 28 -9.961 -24.654 27.725 211 HB3 LEU 28 HB1 LEU 28 -8.445 -24.568 26.834 212 HG LEU 28 HG LEU 28 -7.923 -26.897 27.509 213 HD11 LEU 28 HD11 LEU 28 -10.037 -28.159 28.448 214 HD12 LEU 28 HD12 LEU 28 -10.504 -26.561 29.032 215 HD13 LEU 28 HD13 LEU 28 -8.986 -27.289 29.561 216 HD21 LEU 28 HD21 LEU 28 -9.171 -26.407 25.411 217 HD22 LEU 28 HD22 LEU 28 -10.686 -26.595 26.292 218 HD23 LEU 28 HD23 LEU 28 -9.606 -27.974 26.093 219 H LYS 29 HN LYS 29 -6.088 -23.582 27.964 220 HA LYS 29 HA LYS 29 -4.429 -25.864 27.946 221 HB2 LYS 29 HB2 LYS 29 -3.744 -22.915 27.801 222 HB3 LYS 29 HB1 LYS 29 -2.551 -24.202 27.638 223 HG2 LYS 29 HG2 LYS 29 -3.813 -25.146 25.746 224 HG3 LYS 29 HG1 LYS 29 -5.016 -23.865 25.905 225 HD2 LYS 29 HD2 LYS 29 -3.309 -22.168 25.439 226 HD3 LYS 29 HD1 LYS 29 -2.068 -23.420 25.341 227 HE2 LYS 29 HE2 LYS 29 -2.809 -22.801 23.087 228 HE3 LYS 29 HE1 LYS 29 -3.296 -24.457 23.446 229 HZ1 LYS 29 HZ1 LYS 29 -5.135 -22.252 24.063 230 HZ2 LYS 29 HZ2 LYS 29 -5.482 -23.868 23.672 231 HZ3 LYS 29 HZ3 LYS 29 -4.996 -22.783 22.458 232 H SER 30 HN SER 30 -4.924 -23.330 30.364 233 HA SER 30 HA SER 30 -2.725 -23.963 32.009 234 HB2 SER 30 HB2 SER 30 -3.959 -21.881 32.335 235 HB3 SER 30 HB1 SER 30 -5.402 -22.771 32.811 236 HG SER 30 HG SER 30 -4.457 -23.329 34.669 237 H GLU 31 HN GLU 31 -6.002 -25.322 31.867 238 HA GLU 31 HA GLU 31 -5.824 -26.874 34.215 239 HB2 GLU 31 HB2 GLU 31 -7.484 -27.249 31.708 240 HB3 GLU 31 HB1 GLU 31 -7.622 -28.283 33.129 241 HG2 GLU 31 HG2 GLU 31 -8.217 -26.395 34.521 242 HG3 GLU 31 HG1 GLU 31 -7.911 -25.270 33.200 243 H ARG 32 HN ARG 32 -4.744 -27.475 30.904 244 HA ARG 32 HA ARG 32 -3.458 -29.172 29.995 245 HB2 ARG 32 HB2 ARG 32 -2.544 -29.376 32.877 246 HB3 ARG 32 HB1 ARG 32 -1.740 -30.133 31.502 247 HG2 ARG 32 HG2 ARG 32 -1.398 -27.919 30.473 248 HG3 ARG 32 HG1 ARG 32 -2.205 -27.156 31.843 249 HD2 ARG 32 HD2 ARG 32 -0.482 -28.091 33.360 250 HD3 ARG 32 HD1 ARG 32 0.339 -28.799 31.971 251 HE ARG 32 HE ARG 32 0.021 -26.044 31.495 252 HH11 ARG 32 HH11 ARG 32 1.787 -24.658 31.838 253 HH12 ARG 32 HH12 ARG 32 3.084 -25.156 32.872 254 HH21 ARG 32 HH21 ARG 32 1.665 -28.231 33.612 255 HH22 ARG 32 HH22 ARG 32 3.015 -27.179 33.877 256 H HIS 33 HN HIS 33 -6.128 -29.824 30.784 257 HA HIS 33 HA HIS 33 -6.334 -32.249 32.206 258 HB2 HIS 33 HB2 HIS 33 -8.311 -30.895 31.691 259 HB3 HIS 33 HB1 HIS 33 -8.096 -31.211 29.967 260 HD2 HIS 33 HD2 HIS 33 -9.368 -33.512 29.110 261 HE1 HIS 33 HE1 HIS 33 -9.966 -35.296 32.888 262 HE2 HIS 33 HE2 HIS 33 -10.430 -35.516 30.402 263 H ASP 34 HN ASP 34 -5.962 -31.633 28.724 264 HA ASP 34 HA ASP 34 -6.088 -34.303 27.863 265 HB2 ASP 34 HB2 ASP 34 -4.674 -31.900 26.695 266 HB3 ASP 34 HB1 ASP 34 -4.742 -33.461 25.886 267 H HIS 35 HN HIS 35 -4.631 -35.914 27.665 268 HA HIS 35 HA HIS 35 -2.420 -36.003 29.413 269 HB2 HIS 35 HB2 HIS 35 -3.560 -38.054 28.753 270 HB3 HIS 35 HB1 HIS 35 -3.058 -37.836 27.077 271 HD2 HIS 35 HD2 HIS 35 -0.589 -38.954 26.520 272 HE1 HIS 35 HE1 HIS 35 0.750 -39.421 30.496 273 HE2 HIS 35 HE2 HIS 35 1.305 -39.881 28.062 274 H ASP 36 HN ASP 36 -2.616 -35.305 25.939 275 HA ASP 36 HA ASP 36 0.133 -35.437 25.389 276 HB2 ASP 36 HB2 ASP 36 -2.072 -33.833 24.076 277 HB3 ASP 36 HB1 ASP 36 -0.412 -33.853 23.485 278 H LYS 37 HN LYS 37 -1.821 -32.815 26.740 279 HA LYS 37 HA LYS 37 0.142 -30.796 26.528 280 HB2 LYS 37 HB2 LYS 37 -2.166 -31.129 28.465 281 HB3 LYS 37 HB1 LYS 37 -1.125 -29.705 28.423 282 HG2 LYS 37 HG2 LYS 37 -1.701 -29.331 26.063 283 HG3 LYS 37 HG1 LYS 37 -2.721 -30.770 26.074 284 HD2 LYS 37 HD2 LYS 37 -4.133 -29.752 27.829 285 HD3 LYS 37 HD1 LYS 37 -3.122 -28.307 27.799 286 HE2 LYS 37 HE2 LYS 37 -4.659 -29.394 25.422 287 HE3 LYS 37 HE1 LYS 37 -5.175 -28.037 26.422 288 HZ1 LYS 37 HZ1 LYS 37 -2.895 -27.071 25.865 289 HZ2 LYS 37 HZ2 LYS 37 -4.083 -27.045 24.651 290 HZ3 LYS 37 HZ3 LYS 37 -2.850 -28.215 24.614 291 H LYS 38 HN LYS 38 -0.380 -33.367 28.875 292 HA LYS 38 HA LYS 38 1.429 -32.393 30.847 293 HB2 LYS 38 HB2 LYS 38 0.445 -35.201 30.265 294 HB3 LYS 38 HB1 LYS 38 1.407 -34.763 31.672 295 HG2 LYS 38 HG2 LYS 38 -1.142 -33.267 31.071 296 HG3 LYS 38 HG1 LYS 38 -1.208 -34.828 31.881 297 HD2 LYS 38 HD2 LYS 38 0.377 -33.952 33.610 298 HD3 LYS 38 HD1 LYS 38 0.294 -32.370 32.838 299 HE2 LYS 38 HE2 LYS 38 -1.283 -32.473 34.712 300 HE3 LYS 38 HE1 LYS 38 -2.158 -32.339 33.187 301 HZ1 LYS 38 HZ1 LYS 38 -2.554 -34.244 35.082 302 HZ2 LYS 38 HZ2 LYS 38 -1.610 -35.052 33.923 303 HZ3 LYS 38 HZ3 LYS 38 -3.079 -34.329 33.472 304 H GLU 39 HN GLU 39 1.849 -34.029 27.829 305 HA GLU 39 HA GLU 39 4.358 -35.234 28.297 306 HB2 GLU 39 HB2 GLU 39 2.991 -35.779 26.315 307 HB3 GLU 39 HB1 GLU 39 3.291 -34.171 25.659 308 HG2 GLU 39 HG2 GLU 39 5.701 -34.616 25.604 309 HG3 GLU 39 HG1 GLU 39 5.437 -36.203 26.327 310 H ALA 40 HN ALA 40 3.478 -31.937 27.362 311 HA ALA 40 HA ALA 40 6.060 -31.049 26.675 312 HB1 ALA 40 HB1 ALA 40 4.205 -29.640 26.099 313 HB2 ALA 40 HB2 ALA 40 5.197 -28.750 27.249 314 HB3 ALA 40 HB3 ALA 40 3.696 -29.504 27.782 315 H GLU 41 HN GLU 41 4.486 -31.416 29.809 316 HA GLU 41 HA GLU 41 6.340 -29.943 31.339 317 HB2 GLU 41 HB2 GLU 41 4.568 -32.286 32.087 318 HB3 GLU 41 HB1 GLU 41 5.563 -31.406 33.248 319 HG2 GLU 41 HG2 GLU 41 4.411 -29.335 32.762 320 HG3 GLU 41 HG1 GLU 41 3.519 -30.090 31.443 321 H ARG 42 HN ARG 42 6.400 -33.237 30.087 322 HA ARG 42 HA ARG 42 8.538 -34.194 31.639 323 HB2 ARG 42 HB2 ARG 42 7.200 -35.764 30.390 324 HB3 ARG 42 HB1 ARG 42 7.632 -35.016 28.861 325 HG2 ARG 42 HG2 ARG 42 8.918 -37.073 29.201 326 HG3 ARG 42 HG1 ARG 42 9.998 -35.686 29.211 327 HD2 ARG 42 HD2 ARG 42 10.170 -35.747 31.615 328 HD3 ARG 42 HD1 ARG 42 8.872 -36.936 31.734 329 HE ARG 42 HE ARG 42 10.849 -38.075 30.143 330 HH11 ARG 42 HH11 ARG 42 12.412 -39.454 31.044 331 HH12 ARG 42 HH12 ARG 42 12.777 -39.354 32.733 332 HH21 ARG 42 HH21 ARG 42 10.508 -36.803 33.343 333 HH22 ARG 42 HH22 ARG 42 11.699 -37.853 34.035 334 H LYS 43 HN LYS 43 8.485 -32.374 28.600 335 HA LYS 43 HA LYS 43 11.238 -32.580 28.010 336 HB2 LYS 43 HB2 LYS 43 9.602 -31.869 26.321 337 HB3 LYS 43 HB1 LYS 43 9.313 -30.373 27.209 338 HG2 LYS 43 HG2 LYS 43 11.672 -29.729 26.914 339 HG3 LYS 43 HG1 LYS 43 11.982 -31.240 26.058 340 HD2 LYS 43 HD2 LYS 43 10.345 -30.597 24.330 341 HD3 LYS 43 HD1 LYS 43 10.031 -29.089 25.187 342 HE2 LYS 43 HE2 LYS 43 12.388 -28.429 24.906 343 HE3 LYS 43 HE1 LYS 43 12.714 -29.941 24.057 344 HZ1 LYS 43 HZ1 LYS 43 12.282 -28.611 22.292 345 HZ2 LYS 43 HZ2 LYS 43 11.249 -27.578 23.161 346 HZ3 LYS 43 HZ3 LYS 43 10.689 -29.091 22.625 347 H ALA 44 HN ALA 44 9.456 -30.264 30.024 348 HA ALA 44 HA ALA 44 11.510 -28.368 30.331 349 HB1 ALA 44 HB1 ALA 44 9.227 -27.893 31.066 350 HB2 ALA 44 HB2 ALA 44 10.353 -27.688 32.405 351 HB3 ALA 44 HB3 ALA 44 9.350 -29.134 32.317 352 H LEU 45 HN LEU 45 11.151 -31.528 31.694 353 HA LEU 45 HA LEU 45 12.966 -31.125 33.893 354 HB2 LEU 45 HB2 LEU 45 11.995 -33.689 32.602 355 HB3 LEU 45 HB1 LEU 45 12.862 -33.575 34.131 356 HG LEU 45 HG LEU 45 10.181 -32.277 33.557 357 HD11 LEU 45 HD11 LEU 45 10.965 -34.810 35.017 358 HD12 LEU 45 HD12 LEU 45 9.844 -34.643 33.666 359 HD13 LEU 45 HD13 LEU 45 9.407 -34.017 35.255 360 HD21 LEU 45 HD21 LEU 45 10.312 -32.207 36.205 361 HD22 LEU 45 HD22 LEU 45 11.108 -30.958 35.255 362 HD23 LEU 45 HD23 LEU 45 12.051 -32.292 35.923 363 H GLU 46 HN GLU 46 13.311 -31.567 30.550 364 HA GLU 46 HA GLU 46 15.702 -33.065 30.441 365 HB2 GLU 46 HB2 GLU 46 14.328 -32.659 28.434 366 HB3 GLU 46 HB1 GLU 46 14.751 -30.949 28.478 367 HG2 GLU 46 HG2 GLU 46 17.124 -31.507 28.196 368 HG3 GLU 46 HG1 GLU 46 16.735 -33.226 28.219 369 H ASP 47 HN ASP 47 15.115 -29.598 30.899 370 HA ASP 47 HA ASP 47 17.788 -28.750 30.610 371 HB2 ASP 47 HB2 ASP 47 15.477 -27.558 32.163 372 HB3 ASP 47 HB1 ASP 47 17.056 -26.789 32.045 373 H LYS 48 HN LYS 48 16.030 -30.086 33.374 374 HA LYS 48 HA LYS 48 16.759 -30.770 35.468 375 HB2 LYS 48 HB2 LYS 48 19.361 -31.044 33.938 376 HB3 LYS 48 HB1 LYS 48 19.045 -31.722 35.534 377 HG2 LYS 48 HG2 LYS 48 17.171 -33.035 34.609 378 HG3 LYS 48 HG1 LYS 48 17.490 -32.362 33.010 379 HD2 LYS 48 HD2 LYS 48 19.755 -33.343 33.048 380 HD3 LYS 48 HD1 LYS 48 19.433 -34.023 34.643 381 HE2 LYS 48 HE2 LYS 48 17.568 -35.340 33.712 382 HE3 LYS 48 HE1 LYS 48 17.880 -34.657 32.115 383 HZ1 LYS 48 HZ1 LYS 48 20.090 -35.623 32.169 384 HZ2 LYS 48 HZ2 LYS 48 18.908 -36.828 32.369 385 HZ3 LYS 48 HZ3 LYS 48 19.796 -36.274 33.707 386 H LEU 49 HN LEU 49 16.726 -27.937 34.994 387 HA LEU 49 HA LEU 49 19.161 -26.838 36.133 388 HB2 LEU 49 HB2 LEU 49 17.606 -24.712 36.177 389 HB3 LEU 49 HB1 LEU 49 18.215 -25.322 34.641 390 HG LEU 49 HG LEU 49 16.128 -26.485 34.208 391 HD11 LEU 49 HD11 LEU 49 15.453 -25.592 37.018 392 HD12 LEU 49 HD12 LEU 49 15.439 -27.232 36.366 393 HD13 LEU 49 HD13 LEU 49 14.208 -26.074 35.865 394 HD21 LEU 49 HD21 LEU 49 16.354 -23.979 33.775 395 HD22 LEU 49 HD22 LEU 49 15.420 -23.733 35.248 396 HD23 LEU 49 HD23 LEU 49 14.702 -24.588 33.884 397 H ALA 50 HN ALA 50 16.866 -28.640 37.459 398 HA ALA 50 HA ALA 50 15.931 -27.176 39.681 399 HB1 ALA 50 HB1 ALA 50 16.319 -30.156 39.292 400 HB2 ALA 50 HB2 ALA 50 14.820 -29.231 39.234 401 HB3 ALA 50 HB3 ALA 50 15.654 -29.460 40.768 402 H ASP 51 HN ASP 51 18.940 -28.980 39.171 403 HA ASP 51 HA ASP 51 19.790 -28.580 41.924 404 HB2 ASP 51 HB2 ASP 51 21.798 -29.767 41.262 405 HB3 ASP 51 HB1 ASP 51 20.389 -30.632 40.650 406 H TYR 52 HN TYR 52 19.506 -26.552 39.400 407 HA TYR 52 HA TYR 52 21.289 -24.613 40.494 408 HB2 TYR 52 HB2 TYR 52 22.998 -25.913 39.355 409 HB3 TYR 52 HB1 TYR 52 22.066 -25.884 37.858 410 HD1 TYR 52 HD1 TYR 52 23.790 -23.696 40.341 411 HD2 TYR 52 HD2 TYR 52 22.231 -24.054 36.355 412 HE1 TYR 52 HE1 TYR 52 24.832 -21.528 39.739 413 HE2 TYR 52 HE2 TYR 52 23.275 -21.886 35.752 414 HH TYR 52 HH TYR 52 25.514 -20.274 37.876 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 -22.899 13.847 7.980 2 H2 GLY 1 HT2 GLY 1 -22.148 12.566 8.807 3 H3 GLY 1 HT3 GLY 1 -22.306 12.512 7.116 4 HA2 GLY 1 HA2 GLY 1 -20.537 13.820 6.749 5 HA3 GLY 1 HA1 GLY 1 -20.902 14.827 8.151 6 H SER 2 HN SER 2 -19.247 14.756 9.539 7 HA SER 2 HA SER 2 -17.332 12.691 9.650 8 HB2 SER 2 HB2 SER 2 -17.985 14.877 11.639 9 HB3 SER 2 HB1 SER 2 -16.613 13.784 11.794 10 HG SER 2 HG SER 2 -16.736 15.999 10.414 11 H VAL 3 HN VAL 3 -20.291 13.256 11.514 12 HA VAL 3 HA VAL 3 -19.816 11.261 13.467 13 HB VAL 3 HB VAL 3 -22.401 12.504 12.475 14 HG11 VAL 3 HG11 VAL 3 -21.901 10.447 14.638 15 HG12 VAL 3 HG12 VAL 3 -23.034 10.342 13.290 16 HG13 VAL 3 HG13 VAL 3 -23.336 11.470 14.611 17 HG21 VAL 3 HG21 VAL 3 -20.684 12.826 14.958 18 HG22 VAL 3 HG22 VAL 3 -22.299 13.507 14.792 19 HG23 VAL 3 HG23 VAL 3 -21.005 14.044 13.724 20 H GLU 4 HN GLU 4 -21.347 11.144 10.265 21 HA GLU 4 HA GLU 4 -22.301 8.495 10.461 22 HB2 GLU 4 HB2 GLU 4 -21.556 10.165 8.044 23 HB3 GLU 4 HB1 GLU 4 -22.254 8.549 7.933 24 HG2 GLU 4 HG2 GLU 4 -24.229 9.255 9.145 25 HG3 GLU 4 HG1 GLU 4 -23.519 10.837 9.461 26 H LYS 5 HN LYS 5 -19.145 9.799 9.511 27 HA LYS 5 HA LYS 5 -18.063 7.401 8.482 28 HB2 LYS 5 HB2 LYS 5 -16.739 9.801 9.769 29 HB3 LYS 5 HB1 LYS 5 -15.848 8.455 9.060 30 HG2 LYS 5 HG2 LYS 5 -16.809 8.849 6.888 31 HG3 LYS 5 HG1 LYS 5 -17.948 10.021 7.545 32 HD2 LYS 5 HD2 LYS 5 -16.189 11.278 6.496 33 HD3 LYS 5 HD1 LYS 5 -15.952 11.424 8.236 34 HE2 LYS 5 HE2 LYS 5 -14.189 9.767 8.204 35 HE3 LYS 5 HE1 LYS 5 -14.523 9.376 6.517 36 HZ1 LYS 5 HZ1 LYS 5 -12.998 11.535 7.636 37 HZ2 LYS 5 HZ2 LYS 5 -14.131 12.057 6.482 38 HZ3 LYS 5 HZ3 LYS 5 -12.969 10.887 6.069 39 H LEU 6 HN LEU 6 -18.206 8.725 11.759 40 HA LEU 6 HA LEU 6 -16.710 6.486 12.871 41 HB2 LEU 6 HB2 LEU 6 -18.163 8.758 14.250 42 HB3 LEU 6 HB1 LEU 6 -17.081 7.603 15.026 43 HG LEU 6 HG LEU 6 -16.286 9.501 12.797 44 HD11 LEU 6 HD11 LEU 6 -15.867 9.575 15.795 45 HD12 LEU 6 HD12 LEU 6 -16.684 10.776 14.795 46 HD13 LEU 6 HD13 LEU 6 -14.938 10.562 14.666 47 HD21 LEU 6 HD21 LEU 6 -14.774 7.722 12.608 48 HD22 LEU 6 HD22 LEU 6 -14.853 7.332 14.326 49 HD23 LEU 6 HD23 LEU 6 -13.943 8.741 13.779 50 H THR 7 HN THR 7 -19.914 7.093 11.994 51 HA THR 7 HA THR 7 -21.288 5.737 14.069 52 HB THR 7 HB THR 7 -22.081 6.128 11.174 53 HG1 THR 7 HG1 THR 7 -22.356 7.610 13.544 54 HG21 THR 7 HG21 THR 7 -23.581 5.180 13.616 55 HG22 THR 7 HG22 THR 7 -23.435 4.377 12.053 56 HG23 THR 7 HG23 THR 7 -24.402 5.843 12.204 57 H ALA 8 HN ALA 8 -19.865 4.609 11.005 58 HA ALA 8 HA ALA 8 -20.804 1.900 11.410 59 HB1 ALA 8 HB1 ALA 8 -18.693 2.866 9.463 60 HB2 ALA 8 HB2 ALA 8 -20.426 2.893 9.127 61 HB3 ALA 8 HB3 ALA 8 -19.603 1.357 9.393 62 H ASP 9 HN ASP 9 -18.171 3.809 12.433 63 HA ASP 9 HA ASP 9 -16.190 1.784 12.708 64 HB2 ASP 9 HB2 ASP 9 -16.560 4.420 14.145 65 HB3 ASP 9 HB1 ASP 9 -15.197 3.348 14.435 66 H ALA 10 HN ALA 10 -18.968 2.662 14.607 67 HA ALA 10 HA ALA 10 -18.230 1.479 17.057 68 HB1 ALA 10 HB1 ALA 10 -20.965 1.951 15.839 69 HB2 ALA 10 HB2 ALA 10 -20.150 2.895 17.084 70 HB3 ALA 10 HB3 ALA 10 -20.728 1.272 17.448 71 H GLU 11 HN GLU 11 -19.612 0.080 14.115 72 HA GLU 11 HA GLU 11 -20.266 -2.439 15.217 73 HB2 GLU 11 HB2 GLU 11 -19.629 -1.620 12.372 74 HB3 GLU 11 HB1 GLU 11 -20.085 -3.261 12.822 75 HG2 GLU 11 HG2 GLU 11 -22.211 -2.512 13.680 76 HG3 GLU 11 HG1 GLU 11 -21.755 -0.823 13.491 77 H LEU 12 HN LEU 12 -17.244 -1.154 13.890 78 HA LEU 12 HA LEU 12 -15.854 -3.615 13.790 79 HB2 LEU 12 HB2 LEU 12 -14.874 -0.760 14.023 80 HB3 LEU 12 HB1 LEU 12 -13.777 -2.139 13.973 81 HG LEU 12 HG LEU 12 -14.736 -2.843 11.821 82 HD11 LEU 12 HD11 LEU 12 -16.985 -2.144 11.851 83 HD12 LEU 12 HD12 LEU 12 -16.248 -1.040 10.694 84 HD13 LEU 12 HD13 LEU 12 -16.569 -0.502 12.341 85 HD21 LEU 12 HD21 LEU 12 -13.812 0.034 12.037 86 HD22 LEU 12 HD22 LEU 12 -14.015 -0.787 10.489 87 HD23 LEU 12 HD23 LEU 12 -12.838 -1.386 11.658 88 H GLN 13 HN GLN 13 -16.382 -1.296 16.406 89 HA GLN 13 HA GLN 13 -14.517 -2.422 18.217 90 HB2 GLN 13 HB2 GLN 13 -16.999 -0.752 18.701 91 HB3 GLN 13 HB1 GLN 13 -15.929 -1.291 19.993 92 HG2 GLN 13 HG2 GLN 13 -14.055 -0.117 19.035 93 HG3 GLN 13 HG1 GLN 13 -14.967 0.262 17.576 94 HE21 GLN 13 HE21 GLN 13 -13.745 2.186 19.512 95 HE22 GLN 13 HE22 GLN 13 -15.029 3.139 20.079 96 H ARG 14 HN ARG 14 -17.895 -3.184 17.494 97 HA ARG 14 HA ARG 14 -18.338 -4.901 19.676 98 HB2 ARG 14 HB2 ARG 14 -20.227 -4.133 18.373 99 HB3 ARG 14 HB1 ARG 14 -19.611 -4.903 16.918 100 HG2 ARG 14 HG2 ARG 14 -21.405 -6.249 17.904 101 HG3 ARG 14 HG1 ARG 14 -19.886 -7.128 17.992 102 HD2 ARG 14 HD2 ARG 14 -19.639 -6.609 20.333 103 HD3 ARG 14 HD1 ARG 14 -20.978 -5.465 20.279 104 HE ARG 14 HE ARG 14 -21.997 -7.926 19.474 105 HH11 ARG 14 HH11 ARG 14 -23.022 -9.299 20.966 106 HH12 ARG 14 HH12 ARG 14 -22.675 -9.147 22.656 107 HH21 ARG 14 HH21 ARG 14 -20.430 -6.539 22.230 108 HH22 ARG 14 HH22 ARG 14 -21.207 -7.583 23.372 109 H LEU 15 HN LEU 15 -16.890 -5.487 16.496 110 HA LEU 15 HA LEU 15 -16.758 -8.302 16.694 111 HB2 LEU 15 HB2 LEU 15 -15.042 -6.346 15.136 112 HB3 LEU 15 HB1 LEU 15 -14.904 -8.095 14.995 113 HG LEU 15 HG LEU 15 -17.485 -6.566 14.549 114 HD11 LEU 15 HD11 LEU 15 -15.727 -5.947 12.902 115 HD12 LEU 15 HD12 LEU 15 -17.053 -6.836 12.155 116 HD13 LEU 15 HD13 LEU 15 -15.528 -7.653 12.500 117 HD21 LEU 15 HD21 LEU 15 -18.163 -8.766 14.930 118 HD22 LEU 15 HD22 LEU 15 -16.653 -9.455 14.336 119 HD23 LEU 15 HD23 LEU 15 -17.851 -8.841 13.200 120 H LYS 16 HN LYS 16 -14.637 -5.740 17.884 121 HA LYS 16 HA LYS 16 -12.444 -7.372 18.569 122 HB2 LYS 16 HB2 LYS 16 -12.268 -4.917 18.521 123 HB3 LYS 16 HB1 LYS 16 -13.337 -4.798 19.917 124 HG2 LYS 16 HG2 LYS 16 -11.729 -6.083 21.271 125 HG3 LYS 16 HG1 LYS 16 -10.666 -6.232 19.871 126 HD2 LYS 16 HD2 LYS 16 -10.451 -3.777 19.768 127 HD3 LYS 16 HD1 LYS 16 -11.517 -3.625 21.166 128 HE2 LYS 16 HE2 LYS 16 -9.917 -4.909 22.533 129 HE3 LYS 16 HE1 LYS 16 -8.853 -5.075 21.138 130 HZ1 LYS 16 HZ1 LYS 16 -8.132 -2.980 21.336 131 HZ2 LYS 16 HZ2 LYS 16 -8.710 -3.087 22.930 132 HZ3 LYS 16 HZ3 LYS 16 -9.664 -2.366 21.724 133 H ASN 17 HN ASN 17 -15.433 -6.605 20.314 134 HA ASN 17 HA ASN 17 -14.687 -7.741 22.789 135 HB2 ASN 17 HB2 ASN 17 -16.712 -6.288 22.431 136 HB3 ASN 17 HB1 ASN 17 -17.506 -7.665 21.672 137 HD21 ASN 17 HD21 ASN 17 -19.079 -8.002 23.347 138 HD22 ASN 17 HD22 ASN 17 -18.647 -8.500 24.912 139 H GLU 18 HN GLU 18 -15.998 -9.179 19.837 140 HA GLU 18 HA GLU 18 -16.600 -11.717 20.925 141 HB2 GLU 18 HB2 GLU 18 -15.891 -10.906 18.089 142 HB3 GLU 18 HB1 GLU 18 -16.433 -12.519 18.551 143 HG2 GLU 18 HG2 GLU 18 -17.998 -10.001 19.161 144 HG3 GLU 18 HG1 GLU 18 -18.267 -10.989 17.727 145 H ALA 19 HN ALA 19 -13.606 -10.305 19.707 146 HA ALA 19 HA ALA 19 -12.105 -12.690 19.521 147 HB1 ALA 19 HB1 ALA 19 -11.295 -10.579 18.552 148 HB2 ALA 19 HB2 ALA 19 -10.111 -11.253 19.669 149 HB3 ALA 19 HB3 ALA 19 -11.115 -9.895 20.171 150 H ALA 20 HN ALA 20 -13.164 -10.834 22.244 151 HA ALA 20 HA ALA 20 -11.223 -11.627 24.139 152 HB1 ALA 20 HB1 ALA 20 -12.884 -11.049 25.851 153 HB2 ALA 20 HB2 ALA 20 -14.151 -10.989 24.630 154 HB3 ALA 20 HB3 ALA 20 -12.834 -9.814 24.596 155 H GLU 21 HN GLU 21 -13.896 -13.309 22.701 156 HA GLU 21 HA GLU 21 -14.284 -15.295 24.674 157 HB2 GLU 21 HB2 GLU 21 -15.895 -14.950 22.838 158 HB3 GLU 21 HB1 GLU 21 -14.713 -15.550 21.676 159 HG2 GLU 21 HG2 GLU 21 -14.661 -17.720 22.820 160 HG3 GLU 21 HG1 GLU 21 -15.791 -17.122 24.034 161 H GLU 22 HN GLU 22 -11.981 -15.042 21.994 162 HA GLU 22 HA GLU 22 -10.986 -17.679 22.140 163 HB2 GLU 22 HB2 GLU 22 -9.695 -15.119 21.159 164 HB3 GLU 22 HB1 GLU 22 -8.931 -16.703 21.040 165 HG2 GLU 22 HG2 GLU 22 -10.761 -17.551 19.697 166 HG3 GLU 22 HG1 GLU 22 -11.671 -16.058 19.923 167 H ALA 23 HN ALA 23 -10.232 -14.766 23.970 168 HA ALA 23 HA ALA 23 -7.845 -15.658 25.171 169 HB1 ALA 23 HB1 ALA 23 -8.365 -14.006 26.981 170 HB2 ALA 23 HB2 ALA 23 -9.926 -13.715 26.221 171 HB3 ALA 23 HB3 ALA 23 -8.439 -13.326 25.359 172 H GLU 24 HN GLU 24 -11.219 -16.297 25.950 173 HA GLU 24 HA GLU 24 -10.860 -17.357 28.539 174 HB2 GLU 24 HB2 GLU 24 -12.938 -17.954 26.418 175 HB3 GLU 24 HB1 GLU 24 -13.009 -18.578 28.065 176 HG2 GLU 24 HG2 GLU 24 -13.062 -16.329 28.978 177 HG3 GLU 24 HG1 GLU 24 -12.830 -15.634 27.374 178 H LEU 25 HN LEU 25 -10.079 -18.624 25.429 179 HA LEU 25 HA LEU 25 -10.186 -21.394 25.966 180 HB2 LEU 25 HB2 LEU 25 -8.348 -19.875 24.098 181 HB3 LEU 25 HB1 LEU 25 -8.610 -21.616 24.075 182 HG LEU 25 HG LEU 25 -10.784 -19.537 23.676 183 HD11 LEU 25 HD11 LEU 25 -9.502 -21.378 21.637 184 HD12 LEU 25 HD12 LEU 25 -9.066 -19.681 21.839 185 HD13 LEU 25 HD13 LEU 25 -10.696 -20.118 21.330 186 HD21 LEU 25 HD21 LEU 25 -11.928 -21.426 24.451 187 HD22 LEU 25 HD22 LEU 25 -10.740 -22.550 23.790 188 HD23 LEU 25 HD23 LEU 25 -11.895 -21.753 22.721 189 H GLU 26 HN GLU 26 -8.038 -18.950 27.071 190 HA GLU 26 HA GLU 26 -5.666 -20.398 27.438 191 HB2 GLU 26 HB2 GLU 26 -5.059 -18.746 29.083 192 HB3 GLU 26 HB1 GLU 26 -5.934 -17.924 27.794 193 HG2 GLU 26 HG2 GLU 26 -8.035 -18.184 29.198 194 HG3 GLU 26 HG1 GLU 26 -7.001 -18.740 30.511 195 H ARG 27 HN ARG 27 -8.713 -20.716 28.970 196 HA ARG 27 HA ARG 27 -7.921 -21.731 31.482 197 HB2 ARG 27 HB2 ARG 27 -10.432 -22.230 29.856 198 HB3 ARG 27 HB1 ARG 27 -10.188 -22.838 31.492 199 HG2 ARG 27 HG2 ARG 27 -9.948 -20.597 32.362 200 HG3 ARG 27 HG1 ARG 27 -9.959 -19.915 30.737 201 HD2 ARG 27 HD2 ARG 27 -12.259 -21.479 31.934 202 HD3 ARG 27 HD1 ARG 27 -12.165 -19.720 31.920 203 HE ARG 27 HE ARG 27 -11.799 -20.585 29.286 204 HH11 ARG 27 HH11 ARG 27 -13.551 -20.588 27.841 205 HH12 ARG 27 HH12 ARG 27 -15.171 -20.625 28.453 206 HH21 ARG 27 HH21 ARG 27 -14.197 -20.672 31.781 207 HH22 ARG 27 HH22 ARG 27 -15.537 -20.674 30.683 208 H LEU 28 HN LEU 28 -8.277 -23.271 28.319 209 HA LEU 28 HA LEU 28 -8.054 -25.947 29.213 210 HB2 LEU 28 HB2 LEU 28 -7.391 -24.691 26.534 211 HB3 LEU 28 HB1 LEU 28 -7.335 -26.422 26.841 212 HG LEU 28 HG LEU 28 -9.790 -24.704 27.315 213 HD11 LEU 28 HD11 LEU 28 -9.104 -26.491 24.960 214 HD12 LEU 28 HD12 LEU 28 -9.173 -24.729 24.927 215 HD13 LEU 28 HD13 LEU 28 -10.641 -25.666 25.208 216 HD21 LEU 28 HD21 LEU 28 -9.167 -27.645 27.538 217 HD22 LEU 28 HD22 LEU 28 -10.785 -27.162 27.027 218 HD23 LEU 28 HD23 LEU 28 -10.160 -26.628 28.582 219 H LYS 29 HN LYS 29 -5.649 -23.483 28.439 220 HA LYS 29 HA LYS 29 -3.392 -25.191 28.386 221 HB2 LYS 29 HB2 LYS 29 -3.635 -22.239 29.016 222 HB3 LYS 29 HB1 LYS 29 -2.099 -23.088 28.859 223 HG2 LYS 29 HG2 LYS 29 -2.694 -23.764 26.566 224 HG3 LYS 29 HG1 LYS 29 -4.237 -22.922 26.716 225 HD2 LYS 29 HD2 LYS 29 -3.047 -20.792 27.072 226 HD3 LYS 29 HD1 LYS 29 -1.502 -21.629 26.925 227 HE2 LYS 29 HE2 LYS 29 -2.080 -22.307 24.626 228 HE3 LYS 29 HE1 LYS 29 -3.632 -21.480 24.770 229 HZ1 LYS 29 HZ1 LYS 29 -1.746 -20.223 23.663 230 HZ2 LYS 29 HZ2 LYS 29 -1.068 -20.074 25.214 231 HZ3 LYS 29 HZ3 LYS 29 -2.594 -19.407 24.885 232 H SER 30 HN SER 30 -5.250 -23.840 31.009 233 HA SER 30 HA SER 30 -3.311 -24.007 33.055 234 HB2 SER 30 HB2 SER 30 -6.326 -24.249 33.214 235 HB3 SER 30 HB1 SER 30 -5.261 -24.090 34.605 236 HG SER 30 HG SER 30 -5.624 -22.265 32.462 237 H GLU 31 HN GLU 31 -5.224 -26.432 31.458 238 HA GLU 31 HA GLU 31 -5.138 -28.447 33.427 239 HB2 GLU 31 HB2 GLU 31 -5.344 -28.633 30.410 240 HB3 GLU 31 HB1 GLU 31 -5.439 -30.031 31.478 241 HG2 GLU 31 HG2 GLU 31 -7.363 -29.105 32.620 242 HG3 GLU 31 HG1 GLU 31 -7.219 -27.594 31.723 243 H ARG 32 HN ARG 32 -2.778 -27.493 30.954 244 HA ARG 32 HA ARG 32 -0.833 -29.360 32.198 245 HB2 ARG 32 HB2 ARG 32 -1.210 -28.750 29.258 246 HB3 ARG 32 HB1 ARG 32 0.166 -29.629 29.926 247 HG2 ARG 32 HG2 ARG 32 -1.359 -31.329 30.851 248 HG3 ARG 32 HG1 ARG 32 -2.741 -30.452 30.190 249 HD2 ARG 32 HD2 ARG 32 -1.835 -30.743 27.913 250 HD3 ARG 32 HD1 ARG 32 -0.463 -31.629 28.573 251 HE ARG 32 HE ARG 32 -2.835 -32.874 29.451 252 HH11 ARG 32 HH11 ARG 32 -3.542 -34.757 28.393 253 HH12 ARG 32 HH12 ARG 32 -2.985 -35.103 26.791 254 HH21 ARG 32 HH21 ARG 32 -1.025 -32.252 26.568 255 HH22 ARG 32 HH22 ARG 32 -1.560 -33.686 25.757 256 H HIS 33 HN HIS 33 1.274 -28.621 32.364 257 HA HIS 33 HA HIS 33 1.617 -25.701 32.053 258 HB2 HIS 33 HB2 HIS 33 3.213 -27.713 33.661 259 HB3 HIS 33 HB1 HIS 33 3.502 -25.975 33.615 260 HD2 HIS 33 HD2 HIS 33 1.397 -28.449 35.616 261 HE1 HIS 33 HE1 HIS 33 -0.366 -24.664 36.241 262 HE2 HIS 33 HE2 HIS 33 -0.319 -27.078 37.029 263 H ASP 34 HN ASP 34 2.078 -28.261 30.189 264 HA ASP 34 HA ASP 34 4.807 -28.242 29.473 265 HB2 ASP 34 HB2 ASP 34 2.369 -28.906 27.800 266 HB3 ASP 34 HB1 ASP 34 4.032 -29.278 27.353 267 H HIS 35 HN HIS 35 5.970 -27.067 27.996 268 HA HIS 35 HA HIS 35 4.730 -24.560 27.048 269 HB2 HIS 35 HB2 HIS 35 7.634 -25.390 27.300 270 HB3 HIS 35 HB1 HIS 35 7.082 -23.839 26.672 271 HD2 HIS 35 HD2 HIS 35 4.641 -24.206 29.351 272 HE1 HIS 35 HE1 HIS 35 8.062 -22.874 31.437 273 HE2 HIS 35 HE2 HIS 35 5.547 -23.199 31.582 274 H ASP 36 HN ASP 36 4.954 -27.531 25.899 275 HA ASP 36 HA ASP 36 6.265 -27.307 23.412 276 HB2 ASP 36 HB2 ASP 36 4.029 -29.133 24.327 277 HB3 ASP 36 HB1 ASP 36 4.770 -29.239 22.733 278 H LYS 37 HN LYS 37 2.991 -26.460 24.429 279 HA LYS 37 HA LYS 37 1.906 -26.068 21.845 280 HB2 LYS 37 HB2 LYS 37 1.161 -24.816 24.505 281 HB3 LYS 37 HB1 LYS 37 0.213 -24.651 23.031 282 HG2 LYS 37 HG2 LYS 37 0.964 -27.395 24.035 283 HG3 LYS 37 HG1 LYS 37 -0.406 -26.541 24.742 284 HD2 LYS 37 HD2 LYS 37 -1.371 -26.276 22.446 285 HD3 LYS 37 HD1 LYS 37 -0.050 -27.256 21.812 286 HE2 LYS 37 HE2 LYS 37 -2.016 -28.661 22.193 287 HE3 LYS 37 HE1 LYS 37 -0.726 -29.114 23.306 288 HZ1 LYS 37 HZ1 LYS 37 -1.859 -28.351 25.078 289 HZ2 LYS 37 HZ2 LYS 37 -3.212 -28.605 24.082 290 HZ3 LYS 37 HZ3 LYS 37 -2.546 -27.050 24.235 291 H LYS 38 HN LYS 38 4.018 -24.131 23.815 292 HA LYS 38 HA LYS 38 3.493 -21.618 22.666 293 HB2 LYS 38 HB2 LYS 38 4.811 -21.788 24.712 294 HB3 LYS 38 HB1 LYS 38 6.082 -22.660 23.870 295 HG2 LYS 38 HG2 LYS 38 6.767 -20.354 24.115 296 HG3 LYS 38 HG1 LYS 38 6.427 -20.638 22.414 297 HD2 LYS 38 HD2 LYS 38 4.291 -19.523 22.581 298 HD3 LYS 38 HD1 LYS 38 4.413 -19.442 24.340 299 HE2 LYS 38 HE2 LYS 38 6.384 -17.974 24.125 300 HE3 LYS 38 HE1 LYS 38 6.263 -18.066 22.368 301 HZ1 LYS 38 HZ1 LYS 38 5.180 -16.096 22.984 302 HZ2 LYS 38 HZ2 LYS 38 4.354 -16.839 24.269 303 HZ3 LYS 38 HZ3 LYS 38 3.931 -17.198 22.663 304 H GLU 39 HN GLU 39 5.614 -24.259 21.631 305 HA GLU 39 HA GLU 39 6.891 -22.844 19.532 306 HB2 GLU 39 HB2 GLU 39 6.431 -25.809 19.951 307 HB3 GLU 39 HB1 GLU 39 7.380 -25.145 18.624 308 HG2 GLU 39 HG2 GLU 39 8.916 -24.085 20.174 309 HG3 GLU 39 HG1 GLU 39 7.923 -24.572 21.547 310 H ALA 40 HN ALA 40 3.790 -24.426 19.791 311 HA ALA 40 HA ALA 40 3.247 -24.782 17.045 312 HB1 ALA 40 HB1 ALA 40 1.858 -25.810 18.810 313 HB2 ALA 40 HB2 ALA 40 0.882 -24.879 17.676 314 HB3 ALA 40 HB3 ALA 40 1.256 -24.214 19.264 315 H GLU 41 HN GLU 41 3.252 -21.934 19.038 316 HA GLU 41 HA GLU 41 1.546 -20.310 17.481 317 HB2 GLU 41 HB2 GLU 41 3.861 -19.575 19.296 318 HB3 GLU 41 HB1 GLU 41 2.820 -18.388 18.511 319 HG2 GLU 41 HG2 GLU 41 0.851 -19.352 19.593 320 HG3 GLU 41 HG1 GLU 41 1.846 -20.607 20.331 321 H ARG 42 HN ARG 42 4.964 -21.135 17.155 322 HA ARG 42 HA ARG 42 5.630 -19.181 15.233 323 HB2 ARG 42 HB2 ARG 42 7.363 -20.478 16.394 324 HB3 ARG 42 HB1 ARG 42 6.840 -21.948 15.571 325 HG2 ARG 42 HG2 ARG 42 7.411 -20.997 13.407 326 HG3 ARG 42 HG1 ARG 42 7.792 -19.445 14.153 327 HD2 ARG 42 HD2 ARG 42 9.214 -22.038 14.811 328 HD3 ARG 42 HD1 ARG 42 9.815 -20.849 13.659 329 HE ARG 42 HE ARG 42 9.308 -19.503 16.063 330 HH11 ARG 42 HH11 ARG 42 11.015 -19.084 17.503 331 HH12 ARG 42 HH12 ARG 42 12.458 -20.040 17.428 332 HH21 ARG 42 HH21 ARG 42 11.334 -22.011 14.805 333 HH22 ARG 42 HH22 ARG 42 12.638 -21.696 15.901 334 H LYS 43 HN LYS 43 4.170 -22.396 14.906 335 HA LYS 43 HA LYS 43 4.326 -22.516 12.069 336 HB2 LYS 43 HB2 LYS 43 2.506 -23.930 14.032 337 HB3 LYS 43 HB1 LYS 43 2.556 -24.278 12.306 338 HG2 LYS 43 HG2 LYS 43 4.954 -24.814 12.470 339 HG3 LYS 43 HG1 LYS 43 4.918 -24.463 14.198 340 HD2 LYS 43 HD2 LYS 43 3.257 -26.258 14.533 341 HD3 LYS 43 HD1 LYS 43 3.294 -26.613 12.805 342 HE2 LYS 43 HE2 LYS 43 5.694 -27.154 12.959 343 HE3 LYS 43 HE1 LYS 43 5.667 -26.793 14.685 344 HZ1 LYS 43 HZ1 LYS 43 5.414 -29.097 14.531 345 HZ2 LYS 43 HZ2 LYS 43 4.299 -28.989 13.254 346 HZ3 LYS 43 HZ3 LYS 43 3.846 -28.521 14.823 347 H ALA 44 HN ALA 44 2.192 -20.883 14.252 348 HA ALA 44 HA ALA 44 -0.099 -20.667 12.617 349 HB1 ALA 44 HB1 ALA 44 0.914 -18.662 14.658 350 HB2 ALA 44 HB2 ALA 44 -0.124 -20.045 15.006 351 HB3 ALA 44 HB3 ALA 44 -0.716 -18.731 13.991 352 H LEU 45 HN LEU 45 2.986 -19.092 12.457 353 HA LEU 45 HA LEU 45 2.088 -16.891 10.812 354 HB2 LEU 45 HB2 LEU 45 4.885 -17.932 11.343 355 HB3 LEU 45 HB1 LEU 45 4.486 -16.405 10.558 356 HG LEU 45 HG LEU 45 3.687 -17.163 13.384 357 HD11 LEU 45 HD11 LEU 45 5.367 -15.443 14.031 358 HD12 LEU 45 HD12 LEU 45 5.836 -15.294 12.338 359 HD13 LEU 45 HD13 LEU 45 6.102 -16.812 13.197 360 HD21 LEU 45 HD21 LEU 45 3.329 -14.538 13.359 361 HD22 LEU 45 HD22 LEU 45 2.075 -15.598 12.726 362 HD23 LEU 45 HD23 LEU 45 3.172 -14.772 11.618 363 H GLU 46 HN GLU 46 2.715 -20.165 10.306 364 HA GLU 46 HA GLU 46 3.883 -20.126 7.734 365 HB2 GLU 46 HB2 GLU 46 3.799 -22.181 9.092 366 HB3 GLU 46 HB1 GLU 46 2.047 -22.248 8.905 367 HG2 GLU 46 HG2 GLU 46 2.293 -22.446 6.472 368 HG3 GLU 46 HG1 GLU 46 4.044 -22.311 6.626 369 H ASP 47 HN ASP 47 0.502 -19.923 8.786 370 HA ASP 47 HA ASP 47 -0.659 -20.207 6.230 371 HB2 ASP 47 HB2 ASP 47 -1.983 -20.355 8.317 372 HB3 ASP 47 HB1 ASP 47 -1.761 -18.628 8.578 373 H LYS 48 HN LYS 48 0.657 -17.384 7.916 374 HA LYS 48 HA LYS 48 0.999 -15.203 7.200 375 HB2 LYS 48 HB2 LYS 48 2.459 -16.717 5.666 376 HB3 LYS 48 HB1 LYS 48 1.262 -16.356 4.424 377 HG2 LYS 48 HG2 LYS 48 1.669 -13.962 4.663 378 HG3 LYS 48 HG1 LYS 48 2.768 -14.253 6.011 379 HD2 LYS 48 HD2 LYS 48 4.280 -15.503 4.534 380 HD3 LYS 48 HD1 LYS 48 3.175 -15.261 3.181 381 HE2 LYS 48 HE2 LYS 48 4.985 -13.608 3.087 382 HE3 LYS 48 HE1 LYS 48 3.451 -12.805 3.420 383 HZ1 LYS 48 HZ1 LYS 48 4.956 -13.696 5.737 384 HZ2 LYS 48 HZ2 LYS 48 4.079 -12.262 5.494 385 HZ3 LYS 48 HZ3 LYS 48 5.645 -12.419 4.860 386 H LEU 49 HN LEU 49 -1.766 -16.220 7.178 387 HA LEU 49 HA LEU 49 -3.132 -15.358 4.863 388 HB2 LEU 49 HB2 LEU 49 -4.219 -16.832 6.489 389 HB3 LEU 49 HB1 LEU 49 -4.179 -15.566 7.711 390 HG LEU 49 HG LEU 49 -5.619 -14.147 6.278 391 HD11 LEU 49 HD11 LEU 49 -6.768 -15.529 4.351 392 HD12 LEU 49 HD12 LEU 49 -5.286 -16.482 4.401 393 HD13 LEU 49 HD13 LEU 49 -5.216 -14.754 4.052 394 HD21 LEU 49 HD21 LEU 49 -6.769 -16.929 6.643 395 HD22 LEU 49 HD22 LEU 49 -7.661 -15.407 6.629 396 HD23 LEU 49 HD23 LEU 49 -6.559 -15.770 7.955 397 H ALA 50 HN ALA 50 -2.180 -13.638 7.817 398 HA ALA 50 HA ALA 50 -2.266 -11.387 8.365 399 HB1 ALA 50 HB1 ALA 50 -0.673 -11.469 6.389 400 HB2 ALA 50 HB2 ALA 50 -1.448 -9.912 6.680 401 HB3 ALA 50 HB3 ALA 50 -2.030 -10.956 5.384 402 H ASP 51 HN ASP 51 -4.823 -12.777 7.639 403 HA ASP 51 HA ASP 51 -7.060 -12.239 7.292 404 HB2 ASP 51 HB2 ASP 51 -5.964 -9.611 8.319 405 HB3 ASP 51 HB1 ASP 51 -7.681 -9.931 8.085 406 H TYR 52 HN TYR 52 -5.421 -12.128 4.951 407 HA TYR 52 HA TYR 52 -5.455 -11.339 2.773 408 HB2 TYR 52 HB2 TYR 52 -8.177 -10.329 3.647 409 HB3 TYR 52 HB1 TYR 52 -7.609 -10.416 1.980 410 HD1 TYR 52 HD1 TYR 52 -8.787 -12.330 4.878 411 HD2 TYR 52 HD2 TYR 52 -7.221 -12.590 0.887 412 HE1 TYR 52 HE1 TYR 52 -9.494 -14.703 4.755 413 HE2 TYR 52 HE2 TYR 52 -7.927 -14.965 0.763 414 HH TYR 52 HH TYR 52 -10.106 -16.337 2.768 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 -25.314 16.833 15.167 2 H2 GLY 1 HT2 GLY 1 -24.152 16.176 14.117 3 H3 GLY 1 HT3 GLY 1 -23.960 16.031 15.799 4 HA2 GLY 1 HA2 GLY 1 -26.361 14.894 15.473 5 HA3 GLY 1 HA1 GLY 1 -25.547 14.450 13.971 6 H SER 2 HN SER 2 -26.155 13.335 16.951 7 HA SER 2 HA SER 2 -23.669 12.458 17.933 8 HB2 SER 2 HB2 SER 2 -25.655 12.429 19.338 9 HB3 SER 2 HB1 SER 2 -26.415 11.227 18.306 10 HG SER 2 HG SER 2 -25.126 10.600 20.321 11 H VAL 3 HN VAL 3 -25.899 10.993 15.592 12 HA VAL 3 HA VAL 3 -24.809 8.449 15.413 13 HB VAL 3 HB VAL 3 -26.853 9.311 14.185 14 HG11 VAL 3 HG11 VAL 3 -25.517 11.291 13.195 15 HG12 VAL 3 HG12 VAL 3 -26.610 10.438 12.107 16 HG13 VAL 3 HG13 VAL 3 -24.877 10.120 12.042 17 HG21 VAL 3 HG21 VAL 3 -25.816 7.089 13.770 18 HG22 VAL 3 HG22 VAL 3 -24.787 7.819 12.538 19 HG23 VAL 3 HG23 VAL 3 -26.535 7.766 12.310 20 H GLU 4 HN GLU 4 -23.448 11.466 14.372 21 HA GLU 4 HA GLU 4 -21.655 10.506 12.421 22 HB2 GLU 4 HB2 GLU 4 -21.493 12.934 14.221 23 HB3 GLU 4 HB1 GLU 4 -20.316 12.578 12.960 24 HG2 GLU 4 HG2 GLU 4 -22.030 12.634 11.254 25 HG3 GLU 4 HG1 GLU 4 -23.295 12.791 12.470 26 H LYS 5 HN LYS 5 -21.364 10.670 15.964 27 HA LYS 5 HA LYS 5 -19.216 8.734 15.841 28 HB2 LYS 5 HB2 LYS 5 -17.608 10.116 17.109 29 HB3 LYS 5 HB1 LYS 5 -17.969 10.821 15.534 30 HG2 LYS 5 HG2 LYS 5 -19.612 12.337 16.591 31 HG3 LYS 5 HG1 LYS 5 -19.229 11.649 18.168 32 HD2 LYS 5 HD2 LYS 5 -16.884 12.373 17.922 33 HD3 LYS 5 HD1 LYS 5 -17.265 13.068 16.345 34 HE2 LYS 5 HE2 LYS 5 -18.890 14.592 17.402 35 HE3 LYS 5 HE1 LYS 5 -18.517 13.897 18.980 36 HZ1 LYS 5 HZ1 LYS 5 -16.476 14.873 19.036 37 HZ2 LYS 5 HZ2 LYS 5 -17.313 16.041 18.130 38 HZ3 LYS 5 HZ3 LYS 5 -16.308 14.915 17.350 39 H LEU 6 HN LEU 6 -18.374 8.363 18.279 40 HA LEU 6 HA LEU 6 -19.019 7.509 20.336 41 HB2 LEU 6 HB2 LEU 6 -20.642 10.067 20.373 42 HB3 LEU 6 HB1 LEU 6 -20.200 9.099 21.777 43 HG LEU 6 HG LEU 6 -18.230 10.433 19.894 44 HD11 LEU 6 HD11 LEU 6 -18.864 11.154 22.763 45 HD12 LEU 6 HD12 LEU 6 -19.636 11.947 21.389 46 HD13 LEU 6 HD13 LEU 6 -17.890 12.066 21.612 47 HD21 LEU 6 HD21 LEU 6 -17.046 8.622 20.797 48 HD22 LEU 6 HD22 LEU 6 -17.953 8.648 22.310 49 HD23 LEU 6 HD23 LEU 6 -16.725 9.873 21.995 50 H THR 7 HN THR 7 -20.679 6.873 17.930 51 HA THR 7 HA THR 7 -23.073 5.914 19.386 52 HB THR 7 HB THR 7 -24.310 6.275 17.173 53 HG1 THR 7 HG1 THR 7 -22.594 8.371 16.662 54 HG21 THR 7 HG21 THR 7 -24.865 8.581 17.753 55 HG22 THR 7 HG22 THR 7 -23.377 8.729 18.686 56 HG23 THR 7 HG23 THR 7 -24.653 7.640 19.229 57 H ALA 8 HN ALA 8 -21.618 5.681 16.132 58 HA ALA 8 HA ALA 8 -22.354 2.969 15.756 59 HB1 ALA 8 HB1 ALA 8 -20.785 2.980 13.867 60 HB2 ALA 8 HB2 ALA 8 -20.081 4.492 14.434 61 HB3 ALA 8 HB3 ALA 8 -21.752 4.454 13.863 62 H ASP 9 HN ASP 9 -19.939 4.492 17.578 63 HA ASP 9 HA ASP 9 -17.908 2.531 17.573 64 HB2 ASP 9 HB2 ASP 9 -18.684 4.586 19.658 65 HB3 ASP 9 HB1 ASP 9 -17.297 3.515 19.831 66 H ALA 10 HN ALA 10 -20.906 2.802 19.427 67 HA ALA 10 HA ALA 10 -20.352 0.784 21.317 68 HB1 ALA 10 HB1 ALA 10 -22.989 1.801 20.224 69 HB2 ALA 10 HB2 ALA 10 -22.232 2.174 21.771 70 HB3 ALA 10 HB3 ALA 10 -22.879 0.564 21.474 71 H GLU 11 HN GLU 11 -21.603 0.612 18.008 72 HA GLU 11 HA GLU 11 -22.351 -2.118 18.089 73 HB2 GLU 11 HB2 GLU 11 -21.581 -0.334 15.764 74 HB3 GLU 11 HB1 GLU 11 -22.085 -2.010 15.567 75 HG2 GLU 11 HG2 GLU 11 -24.233 -1.558 16.568 76 HG3 GLU 11 HG1 GLU 11 -23.739 0.069 17.025 77 H LEU 12 HN LEU 12 -19.274 -0.506 17.450 78 HA LEU 12 HA LEU 12 -17.904 -2.847 16.562 79 HB2 LEU 12 HB2 LEU 12 -16.869 -0.235 17.702 80 HB3 LEU 12 HB1 LEU 12 -15.826 -1.521 17.112 81 HG LEU 12 HG LEU 12 -17.991 -0.212 15.436 82 HD11 LEU 12 HD11 LEU 12 -16.198 1.062 14.378 83 HD12 LEU 12 HD12 LEU 12 -15.005 0.302 15.430 84 HD13 LEU 12 HD13 LEU 12 -16.213 1.392 16.110 85 HD21 LEU 12 HD21 LEU 12 -15.873 -2.299 14.936 86 HD22 LEU 12 HD22 LEU 12 -16.327 -1.215 13.622 87 HD23 LEU 12 HD23 LEU 12 -17.542 -2.243 14.371 88 H GLN 13 HN GLN 13 -18.683 -1.522 19.689 89 HA GLN 13 HA GLN 13 -16.762 -2.900 21.229 90 HB2 GLN 13 HB2 GLN 13 -18.113 -1.048 22.153 91 HB3 GLN 13 HB1 GLN 13 -19.552 -2.064 22.090 92 HG2 GLN 13 HG2 GLN 13 -18.535 -3.664 23.629 93 HG3 GLN 13 HG1 GLN 13 -17.034 -2.739 23.633 94 HE21 GLN 13 HE21 GLN 13 -17.198 -2.289 25.947 95 HE22 GLN 13 HE22 GLN 13 -18.355 -1.203 26.550 96 H ARG 14 HN ARG 14 -19.931 -3.893 19.995 97 HA ARG 14 HA ARG 14 -20.153 -6.275 21.489 98 HB2 ARG 14 HB2 ARG 14 -22.064 -5.333 20.243 99 HB3 ARG 14 HB1 ARG 14 -21.271 -5.724 18.718 100 HG2 ARG 14 HG2 ARG 14 -21.284 -8.110 19.298 101 HG3 ARG 14 HG1 ARG 14 -22.023 -7.737 20.855 102 HD2 ARG 14 HD2 ARG 14 -23.980 -6.782 19.696 103 HD3 ARG 14 HD1 ARG 14 -23.246 -7.163 18.142 104 HE ARG 14 HE ARG 14 -24.511 -9.035 19.967 105 HH11 ARG 14 HH11 ARG 14 -24.713 -11.155 19.176 106 HH12 ARG 14 HH12 ARG 14 -23.830 -11.635 17.766 107 HH21 ARG 14 HH21 ARG 14 -22.331 -8.540 17.326 108 HH22 ARG 14 HH22 ARG 14 -22.480 -10.156 16.719 109 H LEU 15 HN LEU 15 -18.496 -5.558 18.440 110 HA LEU 15 HA LEU 15 -17.884 -8.236 17.764 111 HB2 LEU 15 HB2 LEU 15 -16.488 -5.645 17.035 112 HB3 LEU 15 HB1 LEU 15 -16.056 -7.215 16.366 113 HG LEU 15 HG LEU 15 -18.837 -6.017 16.212 114 HD11 LEU 15 HD11 LEU 15 -16.529 -5.979 14.254 115 HD12 LEU 15 HD12 LEU 15 -17.401 -4.599 14.922 116 HD13 LEU 15 HD13 LEU 15 -18.199 -5.674 13.773 117 HD21 LEU 15 HD21 LEU 15 -17.549 -8.545 15.199 118 HD22 LEU 15 HD22 LEU 15 -18.797 -7.785 14.213 119 HD23 LEU 15 HD23 LEU 15 -19.167 -8.298 15.854 120 H LYS 16 HN LYS 16 -16.304 -5.889 19.872 121 HA LYS 16 HA LYS 16 -13.866 -7.276 20.202 122 HB2 LYS 16 HB2 LYS 16 -15.303 -5.331 22.027 123 HB3 LYS 16 HB1 LYS 16 -13.687 -5.960 22.339 124 HG2 LYS 16 HG2 LYS 16 -12.910 -5.066 20.180 125 HG3 LYS 16 HG1 LYS 16 -14.526 -4.440 19.855 126 HD2 LYS 16 HD2 LYS 16 -14.382 -3.028 21.882 127 HD3 LYS 16 HD1 LYS 16 -12.753 -3.637 22.180 128 HE2 LYS 16 HE2 LYS 16 -13.617 -2.156 19.679 129 HE3 LYS 16 HE1 LYS 16 -12.724 -1.439 21.021 130 HZ1 LYS 16 HZ1 LYS 16 -11.271 -3.635 20.460 131 HZ2 LYS 16 HZ2 LYS 16 -10.933 -2.076 19.874 132 HZ3 LYS 16 HZ3 LYS 16 -11.801 -3.178 18.915 133 H ASN 17 HN ASN 17 -17.032 -7.709 21.645 134 HA ASN 17 HA ASN 17 -16.255 -9.233 23.886 135 HB2 ASN 17 HB2 ASN 17 -18.838 -9.200 22.306 136 HB3 ASN 17 HB1 ASN 17 -18.604 -10.181 23.750 137 HD21 ASN 17 HD21 ASN 17 -20.510 -8.002 23.607 138 HD22 ASN 17 HD22 ASN 17 -20.003 -6.810 24.703 139 H GLU 18 HN GLU 18 -16.820 -10.138 20.513 140 HA GLU 18 HA GLU 18 -16.798 -12.938 20.901 141 HB2 GLU 18 HB2 GLU 18 -17.575 -11.920 18.791 142 HB3 GLU 18 HB1 GLU 18 -15.931 -11.399 18.426 143 HG2 GLU 18 HG2 GLU 18 -15.174 -13.734 18.411 144 HG3 GLU 18 HG1 GLU 18 -16.795 -14.275 18.841 145 H ALA 19 HN ALA 19 -14.184 -10.592 20.457 146 HA ALA 19 HA ALA 19 -12.090 -12.458 20.093 147 HB1 ALA 19 HB1 ALA 19 -11.944 -9.693 21.336 148 HB2 ALA 19 HB2 ALA 19 -11.789 -10.061 19.616 149 HB3 ALA 19 HB3 ALA 19 -10.575 -10.639 20.754 150 H ALA 20 HN ALA 20 -13.863 -11.484 22.904 151 HA ALA 20 HA ALA 20 -11.967 -12.140 24.899 152 HB1 ALA 20 HB1 ALA 20 -14.985 -12.371 25.104 153 HB2 ALA 20 HB2 ALA 20 -14.065 -10.890 25.376 154 HB3 ALA 20 HB3 ALA 20 -13.844 -12.274 26.443 155 H GLU 21 HN GLU 21 -13.916 -14.104 22.822 156 HA GLU 21 HA GLU 21 -14.013 -16.463 24.368 157 HB2 GLU 21 HB2 GLU 21 -14.084 -16.054 21.366 158 HB3 GLU 21 HB1 GLU 21 -14.291 -17.624 22.139 159 HG2 GLU 21 HG2 GLU 21 -16.228 -16.842 23.359 160 HG3 GLU 21 HG1 GLU 21 -15.973 -15.193 22.790 161 H GLU 22 HN GLU 22 -11.519 -15.146 22.233 162 HA GLU 22 HA GLU 22 -9.911 -17.465 22.105 163 HB2 GLU 22 HB2 GLU 22 -9.567 -15.555 20.583 164 HB3 GLU 22 HB1 GLU 22 -9.005 -14.570 21.931 165 HG2 GLU 22 HG2 GLU 22 -7.150 -16.127 22.325 166 HG3 GLU 22 HG1 GLU 22 -7.730 -17.166 21.024 167 H ALA 23 HN ALA 23 -10.108 -14.855 24.489 168 HA ALA 23 HA ALA 23 -7.796 -15.533 25.954 169 HB1 ALA 23 HB1 ALA 23 -8.821 -13.410 26.403 170 HB2 ALA 23 HB2 ALA 23 -8.930 -14.366 27.880 171 HB3 ALA 23 HB3 ALA 23 -10.350 -14.165 26.856 172 H GLU 24 HN GLU 24 -11.084 -16.826 26.039 173 HA GLU 24 HA GLU 24 -10.817 -18.308 28.434 174 HB2 GLU 24 HB2 GLU 24 -12.589 -18.789 26.020 175 HB3 GLU 24 HB1 GLU 24 -12.729 -19.648 27.552 176 HG2 GLU 24 HG2 GLU 24 -12.873 -16.633 27.301 177 HG3 GLU 24 HG1 GLU 24 -14.288 -17.682 27.332 178 H LEU 25 HN LEU 25 -9.742 -18.889 25.165 179 HA LEU 25 HA LEU 25 -9.383 -21.683 25.336 180 HB2 LEU 25 HB2 LEU 25 -9.298 -20.533 23.173 181 HB3 LEU 25 HB1 LEU 25 -7.835 -19.678 23.651 182 HG LEU 25 HG LEU 25 -6.647 -21.844 23.870 183 HD11 LEU 25 HD11 LEU 25 -7.947 -23.815 22.702 184 HD12 LEU 25 HD12 LEU 25 -9.382 -22.907 23.179 185 HD13 LEU 25 HD13 LEU 25 -8.246 -23.471 24.404 186 HD21 LEU 25 HD21 LEU 25 -8.068 -21.527 21.208 187 HD22 LEU 25 HD22 LEU 25 -6.516 -22.321 21.473 188 HD23 LEU 25 HD23 LEU 25 -6.669 -20.582 21.720 189 H GLU 26 HN GLU 26 -7.304 -18.979 26.303 190 HA GLU 26 HA GLU 26 -4.998 -20.510 26.860 191 HB2 GLU 26 HB2 GLU 26 -4.902 -18.059 26.694 192 HB3 GLU 26 HB1 GLU 26 -5.880 -17.900 28.148 193 HG2 GLU 26 HG2 GLU 26 -3.520 -17.619 28.703 194 HG3 GLU 26 HG1 GLU 26 -4.120 -19.104 29.435 195 H ARG 27 HN ARG 27 -7.858 -19.755 28.814 196 HA ARG 27 HA ARG 27 -6.873 -20.766 31.257 197 HB2 ARG 27 HB2 ARG 27 -8.902 -19.382 31.166 198 HB3 ARG 27 HB1 ARG 27 -9.758 -20.664 30.312 199 HG2 ARG 27 HG2 ARG 27 -9.506 -22.164 32.207 200 HG3 ARG 27 HG1 ARG 27 -8.505 -20.982 33.051 201 HD2 ARG 27 HD2 ARG 27 -11.370 -20.482 32.205 202 HD3 ARG 27 HD1 ARG 27 -10.894 -21.000 33.819 203 HE ARG 27 HE ARG 27 -9.395 -18.719 33.211 204 HH11 ARG 27 HH11 ARG 27 -10.068 -16.688 33.969 205 HH12 ARG 27 HH12 ARG 27 -11.725 -16.435 34.400 206 HH21 ARG 27 HH21 ARG 27 -12.694 -19.674 33.630 207 HH22 ARG 27 HH22 ARG 27 -13.214 -18.126 34.209 208 H LEU 28 HN LEU 28 -8.464 -22.371 28.521 209 HA LEU 28 HA LEU 28 -8.854 -24.865 29.786 210 HB2 LEU 28 HB2 LEU 28 -8.528 -24.164 26.855 211 HB3 LEU 28 HB1 LEU 28 -8.930 -25.776 27.435 212 HG LEU 28 HG LEU 28 -10.540 -23.293 28.101 213 HD11 LEU 28 HD11 LEU 28 -10.570 -23.765 25.676 214 HD12 LEU 28 HD12 LEU 28 -12.140 -24.092 26.411 215 HD13 LEU 28 HD13 LEU 28 -11.060 -25.427 26.008 216 HD21 LEU 28 HD21 LEU 28 -12.276 -25.289 28.452 217 HD22 LEU 28 HD22 LEU 28 -11.153 -24.848 29.730 218 HD23 LEU 28 HD23 LEU 28 -10.809 -26.235 28.700 219 H LYS 29 HN LYS 29 -6.074 -23.485 28.085 220 HA LYS 29 HA LYS 29 -4.574 -25.868 27.896 221 HB2 LYS 29 HB2 LYS 29 -3.950 -23.870 26.615 222 HB3 LYS 29 HB1 LYS 29 -3.540 -23.025 28.107 223 HG2 LYS 29 HG2 LYS 29 -1.751 -24.550 28.583 224 HG3 LYS 29 HG1 LYS 29 -2.270 -25.651 27.310 225 HD2 LYS 29 HD2 LYS 29 -0.386 -24.439 26.445 226 HD3 LYS 29 HD1 LYS 29 -1.815 -23.783 25.651 227 HE2 LYS 29 HE2 LYS 29 -1.831 -21.862 27.126 228 HE3 LYS 29 HE1 LYS 29 -0.546 -22.555 28.116 229 HZ1 LYS 29 HZ1 LYS 29 0.693 -21.239 26.778 230 HZ2 LYS 29 HZ2 LYS 29 -0.412 -21.295 25.488 231 HZ3 LYS 29 HZ3 LYS 29 0.638 -22.602 25.769 232 H SER 30 HN SER 30 -4.877 -23.492 30.517 233 HA SER 30 HA SER 30 -2.773 -24.472 32.123 234 HB2 SER 30 HB2 SER 30 -3.869 -23.280 33.953 235 HB3 SER 30 HB1 SER 30 -3.875 -22.292 32.495 236 HG SER 30 HG SER 30 -5.986 -23.843 33.587 237 H GLU 31 HN GLU 31 -5.970 -25.659 31.503 238 HA GLU 31 HA GLU 31 -6.325 -27.205 33.845 239 HB2 GLU 31 HB2 GLU 31 -8.193 -26.736 32.302 240 HB3 GLU 31 HB1 GLU 31 -7.448 -27.760 31.075 241 HG2 GLU 31 HG2 GLU 31 -7.597 -29.698 32.571 242 HG3 GLU 31 HG1 GLU 31 -8.281 -28.682 33.840 243 H ARG 32 HN ARG 32 -4.670 -27.891 30.787 244 HA ARG 32 HA ARG 32 -4.245 -30.649 31.209 245 HB2 ARG 32 HB2 ARG 32 -2.656 -28.606 29.639 246 HB3 ARG 32 HB1 ARG 32 -2.311 -30.333 29.622 247 HG2 ARG 32 HG2 ARG 32 -4.585 -30.802 28.818 248 HG3 ARG 32 HG1 ARG 32 -4.964 -29.080 28.859 249 HD2 ARG 32 HD2 ARG 32 -3.187 -28.644 27.208 250 HD3 ARG 32 HD1 ARG 32 -2.799 -30.362 27.169 251 HE ARG 32 HE ARG 32 -5.536 -30.059 26.585 252 HH11 ARG 32 HH11 ARG 32 -6.215 -30.159 24.420 253 HH12 ARG 32 HH12 ARG 32 -5.078 -29.872 23.147 254 HH21 ARG 32 HH21 ARG 32 -2.411 -29.322 25.294 255 HH22 ARG 32 HH22 ARG 32 -2.924 -29.397 23.641 256 H HIS 33 HN HIS 33 -2.406 -27.792 32.189 257 HA HIS 33 HA HIS 33 -0.129 -29.137 33.183 258 HB2 HIS 33 HB2 HIS 33 -1.363 -26.476 33.931 259 HB3 HIS 33 HB1 HIS 33 0.166 -27.055 34.591 260 HD2 HIS 33 HD2 HIS 33 2.358 -26.788 32.876 261 HE1 HIS 33 HE1 HIS 33 0.218 -25.462 29.487 262 HE2 HIS 33 HE2 HIS 33 2.537 -25.847 30.447 263 H ASP 34 HN ASP 34 -3.207 -28.265 34.692 264 HA ASP 34 HA ASP 34 -2.551 -28.988 37.341 265 HB2 ASP 34 HB2 ASP 34 -5.201 -28.940 35.877 266 HB3 ASP 34 HB1 ASP 34 -5.055 -29.294 37.597 267 H HIS 35 HN HIS 35 -2.633 -30.899 38.452 268 HA HIS 35 HA HIS 35 -3.584 -33.328 37.100 269 HB2 HIS 35 HB2 HIS 35 -1.506 -34.531 37.542 270 HB3 HIS 35 HB1 HIS 35 -1.183 -33.134 36.515 271 HD2 HIS 35 HD2 HIS 35 -0.118 -34.519 39.960 272 HE1 HIS 35 HE1 HIS 35 1.379 -30.580 39.717 273 HE2 HIS 35 HE2 HIS 35 1.449 -32.739 41.050 274 H ASP 36 HN ASP 36 -4.245 -31.578 39.486 275 HA ASP 36 HA ASP 36 -3.729 -33.318 41.766 276 HB2 ASP 36 HB2 ASP 36 -4.888 -31.627 43.061 277 HB3 ASP 36 HB1 ASP 36 -3.728 -30.842 41.992 278 H LYS 37 HN LYS 37 -5.751 -33.551 39.239 279 HA LYS 37 HA LYS 37 -8.291 -33.977 40.394 280 HB2 LYS 37 HB2 LYS 37 -7.071 -35.064 37.842 281 HB3 LYS 37 HB1 LYS 37 -8.744 -35.342 38.318 282 HG2 LYS 37 HG2 LYS 37 -9.134 -32.916 38.415 283 HG3 LYS 37 HG1 LYS 37 -7.457 -32.623 37.953 284 HD2 LYS 37 HD2 LYS 37 -7.829 -33.814 35.826 285 HD3 LYS 37 HD1 LYS 37 -9.506 -34.111 36.283 286 HE2 LYS 37 HE2 LYS 37 -9.915 -31.681 36.384 287 HE3 LYS 37 HE1 LYS 37 -8.237 -31.377 35.936 288 HZ1 LYS 37 HZ1 LYS 37 -9.517 -33.192 34.144 289 HZ2 LYS 37 HZ2 LYS 37 -8.684 -31.749 33.809 290 HZ3 LYS 37 HZ3 LYS 37 -10.334 -31.708 34.217 291 H LYS 38 HN LYS 38 -5.507 -36.120 39.962 292 HA LYS 38 HA LYS 38 -6.815 -38.531 40.626 293 HB2 LYS 38 HB2 LYS 38 -4.582 -38.514 39.593 294 HB3 LYS 38 HB1 LYS 38 -3.891 -37.813 41.054 295 HG2 LYS 38 HG2 LYS 38 -4.591 -39.794 42.345 296 HG3 LYS 38 HG1 LYS 38 -5.311 -40.489 40.892 297 HD2 LYS 38 HD2 LYS 38 -3.102 -40.494 39.795 298 HD3 LYS 38 HD1 LYS 38 -2.380 -39.794 41.244 299 HE2 LYS 38 HE2 LYS 38 -3.072 -41.766 42.550 300 HE3 LYS 38 HE1 LYS 38 -3.806 -42.468 41.109 301 HZ1 LYS 38 HZ1 LYS 38 -1.519 -43.273 41.616 302 HZ2 LYS 38 HZ2 LYS 38 -0.944 -41.708 41.286 303 HZ3 LYS 38 HZ3 LYS 38 -1.699 -42.614 40.063 304 H GLU 39 HN GLU 39 -5.320 -36.029 42.653 305 HA GLU 39 HA GLU 39 -5.472 -37.472 45.088 306 HB2 GLU 39 HB2 GLU 39 -5.419 -34.482 44.574 307 HB3 GLU 39 HB1 GLU 39 -5.266 -35.228 46.164 308 HG2 GLU 39 HG2 GLU 39 -3.444 -35.865 43.833 309 HG3 GLU 39 HG1 GLU 39 -3.064 -34.672 45.073 310 H ALA 40 HN ALA 40 -7.804 -35.588 43.278 311 HA ALA 40 HA ALA 40 -9.687 -35.166 45.345 312 HB1 ALA 40 HB1 ALA 40 -9.846 -33.969 43.208 313 HB2 ALA 40 HB2 ALA 40 -11.339 -34.841 43.547 314 HB3 ALA 40 HB3 ALA 40 -10.196 -35.483 42.370 315 H GLU 41 HN GLU 41 -8.877 -37.979 43.472 316 HA GLU 41 HA GLU 41 -11.290 -39.426 43.822 317 HB2 GLU 41 HB2 GLU 41 -8.455 -40.414 43.389 318 HB3 GLU 41 HB1 GLU 41 -9.892 -41.433 43.331 319 HG2 GLU 41 HG2 GLU 41 -9.508 -38.977 41.601 320 HG3 GLU 41 HG1 GLU 41 -9.122 -40.614 41.077 321 H ARG 42 HN ARG 42 -8.546 -38.835 45.901 322 HA ARG 42 HA ARG 42 -9.007 -40.969 47.732 323 HB2 ARG 42 HB2 ARG 42 -7.644 -38.296 48.175 324 HB3 ARG 42 HB1 ARG 42 -7.555 -39.679 49.260 325 HG2 ARG 42 HG2 ARG 42 -6.699 -39.847 46.363 326 HG3 ARG 42 HG1 ARG 42 -5.589 -39.369 47.644 327 HD2 ARG 42 HD2 ARG 42 -6.182 -41.531 48.830 328 HD3 ARG 42 HD1 ARG 42 -7.045 -42.014 47.373 329 HE ARG 42 HE ARG 42 -4.447 -41.232 46.637 330 HH11 ARG 42 HH11 ARG 42 -2.895 -42.839 46.232 331 HH12 ARG 42 HH12 ARG 42 -3.116 -44.431 46.881 332 HH21 ARG 42 HH21 ARG 42 -6.125 -43.671 48.428 333 HH22 ARG 42 HH22 ARG 42 -4.945 -44.902 48.123 334 H LYS 43 HN LYS 43 -10.480 -37.882 47.230 335 HA LYS 43 HA LYS 43 -11.601 -37.581 49.852 336 HB2 LYS 43 HB2 LYS 43 -12.490 -36.379 47.214 337 HB3 LYS 43 HB1 LYS 43 -12.995 -35.842 48.812 338 HG2 LYS 43 HG2 LYS 43 -10.104 -35.869 47.903 339 HG3 LYS 43 HG1 LYS 43 -11.150 -34.460 47.760 340 HD2 LYS 43 HD2 LYS 43 -11.541 -34.613 50.261 341 HD3 LYS 43 HD1 LYS 43 -10.280 -35.842 50.315 342 HE2 LYS 43 HE2 LYS 43 -8.675 -34.266 49.321 343 HE3 LYS 43 HE1 LYS 43 -9.927 -33.025 49.270 344 HZ1 LYS 43 HZ1 LYS 43 -10.063 -33.783 51.819 345 HZ2 LYS 43 HZ2 LYS 43 -9.094 -32.499 51.271 346 HZ3 LYS 43 HZ3 LYS 43 -8.411 -34.034 51.525 347 H ALA 44 HN ALA 44 -12.367 -39.506 47.133 348 HA ALA 44 HA ALA 44 -15.169 -39.728 47.420 349 HB1 ALA 44 HB1 ALA 44 -13.217 -41.818 46.405 350 HB2 ALA 44 HB2 ALA 44 -14.008 -40.579 45.427 351 HB3 ALA 44 HB3 ALA 44 -14.967 -41.849 46.187 352 H LEU 45 HN LEU 45 -12.550 -41.024 49.275 353 HA LEU 45 HA LEU 45 -13.921 -43.213 50.465 354 HB2 LEU 45 HB2 LEU 45 -11.571 -41.580 51.471 355 HB3 LEU 45 HB1 LEU 45 -12.144 -43.071 52.211 356 HG LEU 45 HG LEU 45 -11.238 -42.833 49.326 357 HD11 LEU 45 HD11 LEU 45 -9.774 -44.046 51.688 358 HD12 LEU 45 HD12 LEU 45 -9.422 -42.454 51.015 359 HD13 LEU 45 HD13 LEU 45 -9.177 -43.900 50.035 360 HD21 LEU 45 HD21 LEU 45 -11.054 -45.444 49.818 361 HD22 LEU 45 HD22 LEU 45 -12.596 -44.735 49.353 362 HD23 LEU 45 HD23 LEU 45 -12.263 -45.084 51.050 363 H GLU 46 HN GLU 46 -13.914 -39.782 51.052 364 HA GLU 46 HA GLU 46 -14.857 -39.795 53.712 365 HB2 GLU 46 HB2 GLU 46 -13.982 -37.750 52.649 366 HB3 GLU 46 HB1 GLU 46 -15.377 -37.699 51.574 367 HG2 GLU 46 HG2 GLU 46 -16.881 -37.483 53.500 368 HG3 GLU 46 HG1 GLU 46 -15.509 -37.601 54.600 369 H ASP 47 HN ASP 47 -16.572 -40.040 50.613 370 HA ASP 47 HA ASP 47 -19.180 -39.737 51.640 371 HB2 ASP 47 HB2 ASP 47 -18.164 -41.188 49.182 372 HB3 ASP 47 HB1 ASP 47 -19.875 -41.046 49.580 373 H LYS 48 HN LYS 48 -17.049 -42.552 51.421 374 HA LYS 48 HA LYS 48 -18.976 -44.508 52.074 375 HB2 LYS 48 HB2 LYS 48 -16.768 -45.120 51.173 376 HB3 LYS 48 HB1 LYS 48 -15.993 -44.564 52.654 377 HG2 LYS 48 HG2 LYS 48 -17.246 -46.235 53.954 378 HG3 LYS 48 HG1 LYS 48 -18.064 -46.772 52.487 379 HD2 LYS 48 HD2 LYS 48 -15.916 -47.443 51.509 380 HD3 LYS 48 HD1 LYS 48 -15.066 -46.855 52.939 381 HE2 LYS 48 HE2 LYS 48 -15.370 -49.284 53.089 382 HE3 LYS 48 HE1 LYS 48 -16.329 -48.479 54.332 383 HZ1 LYS 48 HZ1 LYS 48 -17.418 -49.260 51.688 384 HZ2 LYS 48 HZ2 LYS 48 -18.284 -48.736 53.052 385 HZ3 LYS 48 HZ3 LYS 48 -17.514 -50.251 53.061 386 H LEU 49 HN LEU 49 -16.996 -42.388 54.094 387 HA LEU 49 HA LEU 49 -17.550 -43.614 56.568 388 HB2 LEU 49 HB2 LEU 49 -15.756 -41.961 56.333 389 HB3 LEU 49 HB1 LEU 49 -16.934 -40.693 56.006 390 HG LEU 49 HG LEU 49 -17.920 -41.035 58.254 391 HD11 LEU 49 HD11 LEU 49 -15.856 -43.232 58.338 392 HD12 LEU 49 HD12 LEU 49 -17.541 -43.268 58.857 393 HD13 LEU 49 HD13 LEU 49 -16.339 -42.432 59.834 394 HD21 LEU 49 HD21 LEU 49 -16.133 -39.986 59.483 395 HD22 LEU 49 HD22 LEU 49 -16.000 -39.445 57.810 396 HD23 LEU 49 HD23 LEU 49 -14.914 -40.692 58.423 397 H ALA 50 HN ALA 50 -19.380 -41.296 54.655 398 HA ALA 50 HA ALA 50 -21.192 -40.430 56.607 399 HB1 ALA 50 HB1 ALA 50 -22.699 -39.873 54.734 400 HB2 ALA 50 HB2 ALA 50 -21.671 -40.794 53.638 401 HB3 ALA 50 HB3 ALA 50 -21.047 -39.343 54.425 402 H ASP 51 HN ASP 51 -21.016 -43.522 54.994 403 HA ASP 51 HA ASP 51 -23.724 -44.286 55.228 404 HB2 ASP 51 HB2 ASP 51 -22.935 -46.587 55.050 405 HB3 ASP 51 HB1 ASP 51 -22.073 -45.563 53.904 406 H TYR 52 HN TYR 52 -21.209 -43.972 57.582 407 HA TYR 52 HA TYR 52 -23.070 -44.430 59.733 408 HB2 TYR 52 HB2 TYR 52 -20.847 -46.408 59.209 409 HB3 TYR 52 HB1 TYR 52 -21.582 -46.205 60.799 410 HD1 TYR 52 HD1 TYR 52 -21.964 -47.617 57.479 411 HD2 TYR 52 HD2 TYR 52 -24.066 -46.566 61.073 412 HE1 TYR 52 HE1 TYR 52 -23.854 -49.070 56.798 413 HE2 TYR 52 HE2 TYR 52 -25.955 -48.021 60.394 414 HH TYR 52 HH TYR 52 -26.386 -49.918 58.952 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 -20.555 16.498 14.722 2 H2 GLY 1 HT2 GLY 1 -19.413 17.494 13.954 3 H3 GLY 1 HT3 GLY 1 -19.049 16.776 15.450 4 HA2 GLY 1 HA2 GLY 1 -19.792 14.866 13.437 5 HA3 GLY 1 HA1 GLY 1 -18.344 15.788 13.031 6 H SER 2 HN SER 2 -17.245 16.258 15.502 7 HA SER 2 HA SER 2 -15.906 13.841 16.039 8 HB2 SER 2 HB2 SER 2 -14.853 15.988 16.496 9 HB3 SER 2 HB1 SER 2 -16.055 16.359 17.725 10 HG SER 2 HG SER 2 -13.953 14.507 17.740 11 H VAL 3 HN VAL 3 -18.653 15.400 17.672 12 HA VAL 3 HA VAL 3 -18.723 13.641 19.886 13 HB VAL 3 HB VAL 3 -20.894 15.348 18.629 14 HG11 VAL 3 HG11 VAL 3 -20.960 13.545 21.059 15 HG12 VAL 3 HG12 VAL 3 -22.069 13.550 19.688 16 HG13 VAL 3 HG13 VAL 3 -22.083 14.887 20.839 17 HG21 VAL 3 HG21 VAL 3 -19.152 16.634 19.730 18 HG22 VAL 3 HG22 VAL 3 -19.182 15.559 21.126 19 HG23 VAL 3 HG23 VAL 3 -20.559 16.606 20.788 20 H GLU 4 HN GLU 4 -20.221 13.475 16.670 21 HA GLU 4 HA GLU 4 -21.798 11.185 17.178 22 HB2 GLU 4 HB2 GLU 4 -20.682 12.296 14.588 23 HB3 GLU 4 HB1 GLU 4 -21.758 10.901 14.666 24 HG2 GLU 4 HG2 GLU 4 -23.486 12.224 15.737 25 HG3 GLU 4 HG1 GLU 4 -22.406 13.612 15.851 26 H LYS 5 HN LYS 5 -18.429 11.577 16.185 27 HA LYS 5 HA LYS 5 -17.920 8.895 15.469 28 HB2 LYS 5 HB2 LYS 5 -16.091 11.043 16.569 29 HB3 LYS 5 HB1 LYS 5 -15.525 9.468 16.015 30 HG2 LYS 5 HG2 LYS 5 -16.501 9.887 13.791 31 HG3 LYS 5 HG1 LYS 5 -17.074 11.464 14.337 32 HD2 LYS 5 HD2 LYS 5 -14.744 12.153 14.792 33 HD3 LYS 5 HD1 LYS 5 -14.175 10.583 14.224 34 HE2 LYS 5 HE2 LYS 5 -15.766 12.552 12.555 35 HE3 LYS 5 HE1 LYS 5 -14.019 12.331 12.459 36 HZ1 LYS 5 HZ1 LYS 5 -14.847 10.974 10.789 37 HZ2 LYS 5 HZ2 LYS 5 -16.163 10.441 11.721 38 HZ3 LYS 5 HZ3 LYS 5 -14.594 9.888 12.069 39 H LEU 6 HN LEU 6 -17.833 10.577 18.575 40 HA LEU 6 HA LEU 6 -16.665 8.499 20.081 41 HB2 LEU 6 HB2 LEU 6 -18.530 10.736 20.929 42 HB3 LEU 6 HB1 LEU 6 -17.749 9.634 22.057 43 HG LEU 6 HG LEU 6 -16.247 11.328 20.038 44 HD11 LEU 6 HD11 LEU 6 -15.624 12.644 22.147 45 HD12 LEU 6 HD12 LEU 6 -16.973 11.822 22.932 46 HD13 LEU 6 HD13 LEU 6 -17.265 12.869 21.543 47 HD21 LEU 6 HD21 LEU 6 -14.745 9.642 20.627 48 HD22 LEU 6 HD22 LEU 6 -15.452 9.411 22.225 49 HD23 LEU 6 HD23 LEU 6 -14.419 10.803 21.909 50 H THR 7 HN THR 7 -20.030 9.121 19.163 51 HA THR 7 HA THR 7 -21.138 7.108 20.853 52 HB THR 7 HB THR 7 -22.246 8.355 18.336 53 HG1 THR 7 HG1 THR 7 -23.016 8.937 20.964 54 HG21 THR 7 HG21 THR 7 -24.435 7.642 19.438 55 HG22 THR 7 HG22 THR 7 -23.455 6.621 20.491 56 HG23 THR 7 HG23 THR 7 -23.459 6.344 18.748 57 H ALA 8 HN ALA 8 -20.002 7.134 17.493 58 HA ALA 8 HA ALA 8 -20.956 4.520 16.866 59 HB1 ALA 8 HB1 ALA 8 -19.599 4.694 14.855 60 HB2 ALA 8 HB2 ALA 8 -18.733 6.076 15.524 61 HB3 ALA 8 HB3 ALA 8 -20.447 6.215 15.129 62 H ASP 9 HN ASP 9 -18.301 5.602 18.720 63 HA ASP 9 HA ASP 9 -16.476 3.490 18.108 64 HB2 ASP 9 HB2 ASP 9 -15.256 4.126 20.071 65 HB3 ASP 9 HB1 ASP 9 -15.846 5.603 19.316 66 H ALA 10 HN ALA 10 -19.403 3.582 19.856 67 HA ALA 10 HA ALA 10 -18.946 1.548 21.757 68 HB1 ALA 10 HB1 ALA 10 -21.492 2.489 20.418 69 HB2 ALA 10 HB2 ALA 10 -20.936 2.794 22.062 70 HB3 ALA 10 HB3 ALA 10 -21.474 1.182 21.598 71 H GLU 11 HN GLU 11 -19.860 1.381 18.334 72 HA GLU 11 HA GLU 11 -20.410 -1.405 18.318 73 HB2 GLU 11 HB2 GLU 11 -19.620 0.472 16.071 74 HB3 GLU 11 HB1 GLU 11 -20.011 -1.229 15.827 75 HG2 GLU 11 HG2 GLU 11 -21.876 0.720 17.208 76 HG3 GLU 11 HG1 GLU 11 -21.951 0.354 15.486 77 H LEU 12 HN LEU 12 -17.438 0.461 17.913 78 HA LEU 12 HA LEU 12 -15.820 -1.701 17.045 79 HB2 LEU 12 HB2 LEU 12 -15.090 0.899 18.425 80 HB3 LEU 12 HB1 LEU 12 -13.898 -0.275 17.879 81 HG LEU 12 HG LEU 12 -15.993 0.965 16.065 82 HD11 LEU 12 HD11 LEU 12 -14.402 2.644 17.012 83 HD12 LEU 12 HD12 LEU 12 -14.239 2.448 15.267 84 HD13 LEU 12 HD13 LEU 12 -13.066 1.701 16.351 85 HD21 LEU 12 HD21 LEU 12 -15.285 -0.952 14.937 86 HD22 LEU 12 HD22 LEU 12 -13.686 -0.934 15.676 87 HD23 LEU 12 HD23 LEU 12 -14.073 0.197 14.382 88 H GLN 13 HN GLN 13 -16.784 -0.548 20.230 89 HA GLN 13 HA GLN 13 -14.952 -2.103 21.729 90 HB2 GLN 13 HB2 GLN 13 -17.653 -0.944 22.471 91 HB3 GLN 13 HB1 GLN 13 -16.634 -1.827 23.606 92 HG2 GLN 13 HG2 GLN 13 -14.847 -0.228 23.366 93 HG3 GLN 13 HG1 GLN 13 -15.675 0.582 22.038 94 HE21 GLN 13 HE21 GLN 13 -14.861 1.750 24.672 95 HE22 GLN 13 HE22 GLN 13 -16.294 2.318 25.380 96 H ARG 14 HN ARG 14 -18.118 -2.821 20.343 97 HA ARG 14 HA ARG 14 -18.580 -5.249 21.697 98 HB2 ARG 14 HB2 ARG 14 -20.351 -4.137 20.400 99 HB3 ARG 14 HB1 ARG 14 -19.491 -4.484 18.901 100 HG2 ARG 14 HG2 ARG 14 -19.700 -6.876 19.277 101 HG3 ARG 14 HG1 ARG 14 -20.418 -6.597 20.864 102 HD2 ARG 14 HD2 ARG 14 -21.620 -5.614 18.262 103 HD3 ARG 14 HD1 ARG 14 -22.102 -7.104 19.071 104 HE ARG 14 HE ARG 14 -22.286 -5.029 20.947 105 HH11 ARG 14 HH11 ARG 14 -24.302 -4.070 21.367 106 HH12 ARG 14 HH12 ARG 14 -25.573 -4.189 20.196 107 HH21 ARG 14 HH21 ARG 14 -23.683 -6.023 17.941 108 HH22 ARG 14 HH22 ARG 14 -25.222 -5.294 18.256 109 H LEU 15 HN LEU 15 -16.698 -4.524 18.776 110 HA LEU 15 HA LEU 15 -16.247 -7.205 18.014 111 HB2 LEU 15 HB2 LEU 15 -15.777 -5.368 16.466 112 HB3 LEU 15 HB1 LEU 15 -14.495 -4.771 17.513 113 HG LEU 15 HG LEU 15 -13.263 -6.900 17.205 114 HD11 LEU 15 HD11 LEU 15 -15.732 -7.584 15.617 115 HD12 LEU 15 HD12 LEU 15 -14.846 -8.573 16.777 116 HD13 LEU 15 HD13 LEU 15 -14.183 -8.297 15.171 117 HD21 LEU 15 HD21 LEU 15 -12.625 -6.510 14.867 118 HD22 LEU 15 HD22 LEU 15 -12.885 -4.970 15.687 119 HD23 LEU 15 HD23 LEU 15 -14.115 -5.606 14.595 120 H LYS 16 HN LYS 16 -14.556 -5.066 20.276 121 HA LYS 16 HA LYS 16 -12.350 -6.761 20.766 122 HB2 LYS 16 HB2 LYS 16 -12.344 -4.401 21.468 123 HB3 LYS 16 HB1 LYS 16 -13.605 -4.735 22.653 124 HG2 LYS 16 HG2 LYS 16 -12.121 -6.317 23.811 125 HG3 LYS 16 HG1 LYS 16 -10.863 -6.028 22.607 126 HD2 LYS 16 HD2 LYS 16 -10.808 -3.640 23.242 127 HD3 LYS 16 HD1 LYS 16 -12.051 -3.940 24.458 128 HE2 LYS 16 HE2 LYS 16 -9.337 -5.292 24.392 129 HE3 LYS 16 HE1 LYS 16 -9.759 -3.933 25.433 130 HZ1 LYS 16 HZ1 LYS 16 -10.493 -5.431 26.874 131 HZ2 LYS 16 HZ2 LYS 16 -10.347 -6.700 25.754 132 HZ3 LYS 16 HZ3 LYS 16 -11.764 -5.763 25.802 133 H ASN 17 HN ASN 17 -15.600 -6.637 22.163 134 HA ASN 17 HA ASN 17 -15.148 -8.418 24.299 135 HB2 ASN 17 HB2 ASN 17 -17.198 -7.045 24.124 136 HB3 ASN 17 HB1 ASN 17 -17.737 -8.022 22.760 137 HD21 ASN 17 HD21 ASN 17 -19.373 -7.968 25.012 138 HD22 ASN 17 HD22 ASN 17 -19.284 -9.453 25.828 139 H GLU 18 HN GLU 18 -15.885 -8.998 20.887 140 HA GLU 18 HA GLU 18 -16.414 -11.763 21.114 141 HB2 GLU 18 HB2 GLU 18 -16.933 -10.435 19.070 142 HB3 GLU 18 HB1 GLU 18 -15.211 -10.339 18.712 143 HG2 GLU 18 HG2 GLU 18 -16.573 -13.000 19.152 144 HG3 GLU 18 HG1 GLU 18 -16.580 -12.218 17.575 145 H ALA 19 HN ALA 19 -13.397 -9.949 20.819 146 HA ALA 19 HA ALA 19 -11.691 -12.149 20.317 147 HB1 ALA 19 HB1 ALA 19 -9.869 -10.698 21.100 148 HB2 ALA 19 HB2 ALA 19 -11.041 -9.556 21.753 149 HB3 ALA 19 HB3 ALA 19 -10.941 -9.821 20.011 150 H ALA 20 HN ALA 20 -13.302 -11.073 23.180 151 HA ALA 20 HA ALA 20 -11.592 -12.180 25.137 152 HB1 ALA 20 HB1 ALA 20 -13.494 -12.101 26.653 153 HB2 ALA 20 HB2 ALA 20 -14.610 -11.915 25.304 154 HB3 ALA 20 HB3 ALA 20 -13.462 -10.630 25.683 155 H GLU 21 HN GLU 21 -13.863 -13.639 22.946 156 HA GLU 21 HA GLU 21 -14.304 -16.062 24.331 157 HB2 GLU 21 HB2 GLU 21 -15.689 -15.424 22.400 158 HB3 GLU 21 HB1 GLU 21 -14.303 -15.587 21.326 159 HG2 GLU 21 HG2 GLU 21 -15.681 -17.601 21.220 160 HG3 GLU 21 HG1 GLU 21 -14.129 -17.990 21.953 161 H GLU 22 HN GLU 22 -11.707 -15.009 22.167 162 HA GLU 22 HA GLU 22 -10.447 -17.526 21.900 163 HB2 GLU 22 HB2 GLU 22 -9.347 -14.709 21.673 164 HB3 GLU 22 HB1 GLU 22 -8.397 -16.157 21.341 165 HG2 GLU 22 HG2 GLU 22 -9.921 -16.834 19.590 166 HG3 GLU 22 HG1 GLU 22 -11.035 -15.529 19.993 167 H ALA 23 HN ALA 23 -10.265 -15.021 24.377 168 HA ALA 23 HA ALA 23 -7.963 -15.953 25.714 169 HB1 ALA 23 HB1 ALA 23 -8.922 -13.745 26.195 170 HB2 ALA 23 HB2 ALA 23 -8.792 -14.703 27.667 171 HB3 ALA 23 HB3 ALA 23 -10.358 -14.504 26.887 172 H GLU 24 HN GLU 24 -11.254 -17.123 25.700 173 HA GLU 24 HA GLU 24 -11.194 -18.564 28.127 174 HB2 GLU 24 HB2 GLU 24 -12.791 -19.026 25.594 175 HB3 GLU 24 HB1 GLU 24 -12.999 -19.977 27.062 176 HG2 GLU 24 HG2 GLU 24 -13.572 -17.996 28.335 177 HG3 GLU 24 HG1 GLU 24 -13.208 -16.958 26.956 178 H LEU 25 HN LEU 25 -10.042 -19.369 24.883 179 HA LEU 25 HA LEU 25 -9.569 -22.115 25.347 180 HB2 LEU 25 HB2 LEU 25 -8.329 -20.164 23.392 181 HB3 LEU 25 HB1 LEU 25 -7.861 -21.861 23.465 182 HG LEU 25 HG LEU 25 -10.216 -22.524 23.102 183 HD11 LEU 25 HD11 LEU 25 -11.717 -20.572 22.239 184 HD12 LEU 25 HD12 LEU 25 -10.607 -19.531 23.132 185 HD13 LEU 25 HD13 LEU 25 -11.526 -20.776 23.978 186 HD21 LEU 25 HD21 LEU 25 -8.844 -22.372 21.134 187 HD22 LEU 25 HD22 LEU 25 -8.973 -20.612 21.106 188 HD23 LEU 25 HD23 LEU 25 -10.382 -21.606 20.734 189 H GLU 26 HN GLU 26 -7.644 -19.231 26.023 190 HA GLU 26 HA GLU 26 -5.224 -20.543 26.634 191 HB2 GLU 26 HB2 GLU 26 -5.322 -18.107 26.294 192 HB3 GLU 26 HB1 GLU 26 -6.269 -17.921 27.768 193 HG2 GLU 26 HG2 GLU 26 -3.921 -17.431 28.223 194 HG3 GLU 26 HG1 GLU 26 -4.386 -18.902 29.070 195 H ARG 27 HN ARG 27 -8.101 -19.882 28.593 196 HA ARG 27 HA ARG 27 -7.001 -20.609 31.086 197 HB2 ARG 27 HB2 ARG 27 -9.864 -20.690 30.090 198 HB3 ARG 27 HB1 ARG 27 -9.396 -21.046 31.752 199 HG2 ARG 27 HG2 ARG 27 -8.395 -18.828 31.981 200 HG3 ARG 27 HG1 ARG 27 -8.762 -18.465 30.294 201 HD2 ARG 27 HD2 ARG 27 -10.465 -17.467 31.739 202 HD3 ARG 27 HD1 ARG 27 -11.179 -18.756 30.776 203 HE ARG 27 HE ARG 27 -11.501 -19.985 32.732 204 HH11 ARG 27 HH11 ARG 27 -11.508 -20.199 34.993 205 HH12 ARG 27 HH12 ARG 27 -10.609 -19.082 35.966 206 HH21 ARG 27 HH21 ARG 27 -9.432 -17.264 33.258 207 HH22 ARG 27 HH22 ARG 27 -9.434 -17.420 34.983 208 H LEU 28 HN LEU 28 -8.419 -22.541 28.480 209 HA LEU 28 HA LEU 28 -8.590 -24.971 29.935 210 HB2 LEU 28 HB2 LEU 28 -8.325 -24.468 26.956 211 HB3 LEU 28 HB1 LEU 28 -8.640 -26.046 27.671 212 HG LEU 28 HG LEU 28 -10.388 -23.607 28.108 213 HD11 LEU 28 HD11 LEU 28 -10.731 -25.959 26.223 214 HD12 LEU 28 HD12 LEU 28 -10.444 -24.283 25.756 215 HD13 LEU 28 HD13 LEU 28 -11.957 -24.732 26.542 216 HD21 LEU 28 HD21 LEU 28 -10.894 -25.020 29.897 217 HD22 LEU 28 HD22 LEU 28 -10.488 -26.483 29.002 218 HD23 LEU 28 HD23 LEU 28 -12.005 -25.645 28.684 219 H LYS 29 HN LYS 29 -5.969 -23.335 28.304 220 HA LYS 29 HA LYS 29 -4.212 -25.523 28.029 221 HB2 LYS 29 HB2 LYS 29 -3.795 -23.379 26.896 222 HB3 LYS 29 HB1 LYS 29 -3.491 -22.600 28.448 223 HG2 LYS 29 HG2 LYS 29 -1.593 -24.116 28.853 224 HG3 LYS 29 HG1 LYS 29 -1.914 -24.934 27.324 225 HD2 LYS 29 HD2 LYS 29 -1.525 -22.811 26.115 226 HD3 LYS 29 HD1 LYS 29 -1.181 -22.009 27.647 227 HE2 LYS 29 HE2 LYS 29 0.358 -24.382 26.554 228 HE3 LYS 29 HE1 LYS 29 0.897 -22.706 26.470 229 HZ1 LYS 29 HZ1 LYS 29 1.867 -23.217 28.414 230 HZ2 LYS 29 HZ2 LYS 29 0.825 -24.519 28.731 231 HZ3 LYS 29 HZ3 LYS 29 0.327 -22.929 29.062 232 H SER 30 HN SER 30 -4.847 -23.359 30.769 233 HA SER 30 HA SER 30 -2.698 -24.213 32.385 234 HB2 SER 30 HB2 SER 30 -3.955 -22.201 32.959 235 HB3 SER 30 HB1 SER 30 -5.408 -23.149 33.254 236 HG SER 30 HG SER 30 -4.394 -24.127 34.970 237 H GLU 31 HN GLU 31 -5.958 -25.537 31.933 238 HA GLU 31 HA GLU 31 -5.863 -27.408 34.042 239 HB2 GLU 31 HB2 GLU 31 -7.426 -27.417 31.446 240 HB3 GLU 31 HB1 GLU 31 -7.614 -28.643 32.698 241 HG2 GLU 31 HG2 GLU 31 -8.272 -26.976 34.322 242 HG3 GLU 31 HG1 GLU 31 -7.909 -25.672 33.196 243 H ARG 32 HN ARG 32 -4.642 -27.525 30.731 244 HA ARG 32 HA ARG 32 -3.307 -29.073 29.643 245 HB2 ARG 32 HB2 ARG 32 -2.551 -29.793 32.489 246 HB3 ARG 32 HB1 ARG 32 -1.667 -30.267 31.040 247 HG2 ARG 32 HG2 ARG 32 -1.158 -27.968 30.511 248 HG3 ARG 32 HG1 ARG 32 -2.222 -27.386 31.791 249 HD2 ARG 32 HD2 ARG 32 0.239 -29.092 32.249 250 HD3 ARG 32 HD1 ARG 32 0.188 -27.342 32.445 251 HE ARG 32 HE ARG 32 -1.876 -28.407 34.003 252 HH11 ARG 32 HH11 ARG 32 -1.563 -28.731 36.229 253 HH12 ARG 32 HH12 ARG 32 0.043 -28.883 36.859 254 HH21 ARG 32 HH21 ARG 32 1.574 -28.507 33.771 255 HH22 ARG 32 HH22 ARG 32 1.820 -28.755 35.468 256 H HIS 33 HN HIS 33 -5.982 -29.815 30.004 257 HA HIS 33 HA HIS 33 -6.366 -32.386 31.092 258 HB2 HIS 33 HB2 HIS 33 -8.250 -30.930 30.445 259 HB3 HIS 33 HB1 HIS 33 -7.811 -31.118 28.745 260 HD2 HIS 33 HD2 HIS 33 -7.544 -34.386 30.816 261 HE1 HIS 33 HE1 HIS 33 -11.156 -34.587 28.639 262 HE2 HIS 33 HE2 HIS 33 -9.539 -35.904 30.088 263 H ASP 34 HN ASP 34 -5.521 -31.366 27.791 264 HA ASP 34 HA ASP 34 -4.102 -33.848 27.344 265 HB2 ASP 34 HB2 ASP 34 -6.598 -34.271 26.838 266 HB3 ASP 34 HB1 ASP 34 -6.356 -33.229 25.438 267 H HIS 35 HN HIS 35 -2.995 -33.859 25.240 268 HA HIS 35 HA HIS 35 -1.851 -31.301 24.676 269 HB2 HIS 35 HB2 HIS 35 -1.576 -33.971 23.270 270 HB3 HIS 35 HB1 HIS 35 -0.653 -32.529 22.850 271 HD2 HIS 35 HD2 HIS 35 1.495 -31.965 24.551 272 HE1 HIS 35 HE1 HIS 35 0.746 -35.020 27.366 273 HE2 HIS 35 HE2 HIS 35 2.389 -33.219 26.660 274 H ASP 36 HN ASP 36 -4.528 -33.066 23.428 275 HA ASP 36 HA ASP 36 -6.051 -32.636 21.735 276 HB2 ASP 36 HB2 ASP 36 -4.956 -29.857 22.201 277 HB3 ASP 36 HB1 ASP 36 -6.328 -30.206 21.153 278 H LYS 37 HN LYS 37 -3.497 -33.627 20.875 279 HA LYS 37 HA LYS 37 -2.388 -32.133 18.756 280 HB2 LYS 37 HB2 LYS 37 -2.374 -35.115 19.285 281 HB3 LYS 37 HB1 LYS 37 -1.492 -34.356 17.961 282 HG2 LYS 37 HG2 LYS 37 -0.289 -32.932 19.572 283 HG3 LYS 37 HG1 LYS 37 -1.172 -33.690 20.897 284 HD2 LYS 37 HD2 LYS 37 -0.230 -35.887 20.266 285 HD3 LYS 37 HD1 LYS 37 0.674 -35.117 18.962 286 HE2 LYS 37 HE2 LYS 37 0.953 -34.437 21.904 287 HE3 LYS 37 HE1 LYS 37 2.073 -35.445 20.988 288 HZ1 LYS 37 HZ1 LYS 37 2.855 -33.169 21.109 289 HZ2 LYS 37 HZ2 LYS 37 1.414 -32.608 20.405 290 HZ3 LYS 37 HZ3 LYS 37 2.482 -33.577 19.506 291 H LYS 38 HN LYS 38 -5.080 -34.454 18.803 292 HA LYS 38 HA LYS 38 -5.371 -34.697 16.015 293 HB2 LYS 38 HB2 LYS 38 -7.394 -35.010 18.248 294 HB3 LYS 38 HB1 LYS 38 -7.748 -35.355 16.558 295 HG2 LYS 38 HG2 LYS 38 -5.907 -36.986 16.492 296 HG3 LYS 38 HG1 LYS 38 -5.535 -36.641 18.181 297 HD2 LYS 38 HD2 LYS 38 -7.788 -37.396 18.838 298 HD3 LYS 38 HD1 LYS 38 -8.167 -37.741 17.150 299 HE2 LYS 38 HE2 LYS 38 -6.330 -39.384 17.068 300 HE3 LYS 38 HE1 LYS 38 -5.940 -39.038 18.753 301 HZ1 LYS 38 HZ1 LYS 38 -7.384 -40.636 19.245 302 HZ2 LYS 38 HZ2 LYS 38 -8.008 -40.687 17.665 303 HZ3 LYS 38 HZ3 LYS 38 -8.612 -39.560 18.783 304 H GLU 39 HN GLU 39 -6.603 -32.277 18.292 305 HA GLU 39 HA GLU 39 -8.392 -31.024 16.483 306 HB2 GLU 39 HB2 GLU 39 -6.964 -29.913 18.917 307 HB3 GLU 39 HB1 GLU 39 -8.243 -29.078 18.037 308 HG2 GLU 39 HG2 GLU 39 -8.564 -31.840 19.235 309 HG3 GLU 39 HG1 GLU 39 -9.046 -30.356 20.056 310 H ALA 40 HN ALA 40 -4.940 -30.797 16.961 311 HA ALA 40 HA ALA 40 -4.510 -28.327 15.621 312 HB1 ALA 40 HB1 ALA 40 -2.611 -30.680 15.864 313 HB2 ALA 40 HB2 ALA 40 -2.787 -29.387 17.054 314 HB3 ALA 40 HB3 ALA 40 -2.175 -29.025 15.441 315 H GLU 41 HN GLU 41 -5.349 -31.444 14.495 316 HA GLU 41 HA GLU 41 -4.172 -31.433 11.931 317 HB2 GLU 41 HB2 GLU 41 -6.748 -32.723 12.871 318 HB3 GLU 41 HB1 GLU 41 -5.930 -33.081 11.350 319 HG2 GLU 41 HG2 GLU 41 -4.634 -33.369 14.074 320 HG3 GLU 41 HG1 GLU 41 -5.381 -34.700 13.192 321 H ARG 42 HN ARG 42 -6.783 -29.600 13.225 322 HA ARG 42 HA ARG 42 -8.349 -29.173 10.936 323 HB2 ARG 42 HB2 ARG 42 -9.177 -27.188 12.037 324 HB3 ARG 42 HB1 ARG 42 -8.954 -28.441 13.254 325 HG2 ARG 42 HG2 ARG 42 -6.720 -27.443 13.804 326 HG3 ARG 42 HG1 ARG 42 -7.064 -26.138 12.672 327 HD2 ARG 42 HD2 ARG 42 -8.805 -26.836 15.047 328 HD3 ARG 42 HD1 ARG 42 -7.616 -25.536 15.026 329 HE ARG 42 HE ARG 42 -9.272 -25.107 12.834 330 HH11 ARG 42 HH11 ARG 42 -11.043 -23.691 12.976 331 HH12 ARG 42 HH12 ARG 42 -11.740 -23.336 14.522 332 HH21 ARG 42 HH21 ARG 42 -9.538 -25.363 16.274 333 HH22 ARG 42 HH22 ARG 42 -10.888 -24.283 16.390 334 H LYS 43 HN LYS 43 -5.203 -28.030 11.779 335 HA LYS 43 HA LYS 43 -5.112 -25.736 10.088 336 HB2 LYS 43 HB2 LYS 43 -2.908 -27.474 11.225 337 HB3 LYS 43 HB1 LYS 43 -2.624 -25.986 10.323 338 HG2 LYS 43 HG2 LYS 43 -3.968 -24.726 11.962 339 HG3 LYS 43 HG1 LYS 43 -4.254 -26.209 12.871 340 HD2 LYS 43 HD2 LYS 43 -1.844 -26.459 13.265 341 HD3 LYS 43 HD1 LYS 43 -1.527 -25.005 12.319 342 HE2 LYS 43 HE2 LYS 43 -1.520 -24.459 14.708 343 HE3 LYS 43 HE1 LYS 43 -2.897 -23.689 13.921 344 HZ1 LYS 43 HZ1 LYS 43 -2.898 -25.541 16.035 345 HZ2 LYS 43 HZ2 LYS 43 -3.702 -26.233 14.707 346 HZ3 LYS 43 HZ3 LYS 43 -4.215 -24.737 15.333 347 H ALA 44 HN ALA 44 -4.878 -29.125 9.496 348 HA ALA 44 HA ALA 44 -3.301 -29.130 7.159 349 HB1 ALA 44 HB1 ALA 44 -4.390 -31.279 6.623 350 HB2 ALA 44 HB2 ALA 44 -5.584 -30.992 7.886 351 HB3 ALA 44 HB3 ALA 44 -3.886 -31.217 8.310 352 H LEU 45 HN LEU 45 -6.565 -28.103 7.704 353 HA LEU 45 HA LEU 45 -7.542 -28.327 5.055 354 HB2 LEU 45 HB2 LEU 45 -8.343 -26.441 7.294 355 HB3 LEU 45 HB1 LEU 45 -9.210 -26.596 5.770 356 HG LEU 45 HG LEU 45 -8.682 -28.902 7.668 357 HD11 LEU 45 HD11 LEU 45 -11.226 -27.303 7.245 358 HD12 LEU 45 HD12 LEU 45 -10.167 -27.159 8.648 359 HD13 LEU 45 HD13 LEU 45 -11.022 -28.672 8.341 360 HD21 LEU 45 HD21 LEU 45 -10.745 -29.755 6.212 361 HD22 LEU 45 HD22 LEU 45 -9.101 -29.926 5.612 362 HD23 LEU 45 HD23 LEU 45 -10.114 -28.604 5.034 363 H GLU 46 HN GLU 46 -5.567 -25.928 6.684 364 HA GLU 46 HA GLU 46 -5.839 -23.837 4.816 365 HB2 GLU 46 HB2 GLU 46 -3.574 -24.525 6.709 366 HB3 GLU 46 HB1 GLU 46 -3.601 -23.073 5.710 367 HG2 GLU 46 HG2 GLU 46 -5.658 -22.324 6.747 368 HG3 GLU 46 HG1 GLU 46 -5.809 -23.837 7.639 369 H ASP 47 HN ASP 47 -3.735 -26.691 4.847 370 HA ASP 47 HA ASP 47 -2.018 -25.891 2.761 371 HB2 ASP 47 HB2 ASP 47 -2.847 -28.646 3.705 372 HB3 ASP 47 HB1 ASP 47 -1.668 -28.381 2.424 373 H LYS 48 HN LYS 48 -5.215 -27.418 2.704 374 HA LYS 48 HA LYS 48 -5.237 -28.051 -0.048 375 HB2 LYS 48 HB2 LYS 48 -7.510 -27.483 1.879 376 HB3 LYS 48 HB1 LYS 48 -7.761 -27.984 0.210 377 HG2 LYS 48 HG2 LYS 48 -5.942 -29.600 1.989 378 HG3 LYS 48 HG1 LYS 48 -7.688 -29.801 2.115 379 HD2 LYS 48 HD2 LYS 48 -7.778 -30.261 -0.338 380 HD3 LYS 48 HD1 LYS 48 -6.021 -30.173 -0.395 381 HE2 LYS 48 HE2 LYS 48 -6.703 -32.506 -0.201 382 HE3 LYS 48 HE1 LYS 48 -5.899 -32.003 1.285 383 HZ1 LYS 48 HZ1 LYS 48 -7.856 -31.968 2.447 384 HZ2 LYS 48 HZ2 LYS 48 -8.155 -33.258 1.381 385 HZ3 LYS 48 HZ3 LYS 48 -8.814 -31.723 1.069 386 H LEU 49 HN LEU 49 -6.006 -25.081 1.704 387 HA LEU 49 HA LEU 49 -7.178 -23.699 -0.466 388 HB2 LEU 49 HB2 LEU 49 -5.742 -22.658 1.995 389 HB3 LEU 49 HB1 LEU 49 -6.572 -21.629 0.835 390 HG LEU 49 HG LEU 49 -7.893 -23.927 2.306 391 HD11 LEU 49 HD11 LEU 49 -7.146 -22.138 3.852 392 HD12 LEU 49 HD12 LEU 49 -8.904 -22.212 3.738 393 HD13 LEU 49 HD13 LEU 49 -8.016 -20.951 2.881 394 HD21 LEU 49 HD21 LEU 49 -9.277 -23.546 0.469 395 HD22 LEU 49 HD22 LEU 49 -8.823 -21.849 0.335 396 HD23 LEU 49 HD23 LEU 49 -9.941 -22.368 1.595 397 H ALA 50 HN ALA 50 -3.823 -24.160 0.533 398 HA ALA 50 HA ALA 50 -1.834 -23.709 -0.560 399 HB1 ALA 50 HB1 ALA 50 -3.466 -23.258 -3.058 400 HB2 ALA 50 HB2 ALA 50 -3.173 -24.874 -2.415 401 HB3 ALA 50 HB3 ALA 50 -1.818 -23.865 -2.918 402 H ASP 51 HN ASP 51 -3.458 -21.537 0.632 403 HA ASP 51 HA ASP 51 -3.353 -19.222 -0.984 404 HB2 ASP 51 HB2 ASP 51 -4.695 -19.330 1.091 405 HB3 ASP 51 HB1 ASP 51 -3.214 -19.352 2.047 406 H TYR 52 HN TYR 52 -0.948 -20.723 1.144 407 HA TYR 52 HA TYR 52 1.169 -19.327 -0.219 408 HB2 TYR 52 HB2 TYR 52 0.544 -17.555 1.314 409 HB3 TYR 52 HB1 TYR 52 0.567 -18.675 2.675 410 HD1 TYR 52 HD1 TYR 52 2.715 -17.163 0.023 411 HD2 TYR 52 HD2 TYR 52 2.583 -19.139 3.835 412 HE1 TYR 52 HE1 TYR 52 5.138 -16.732 0.331 413 HE2 TYR 52 HE2 TYR 52 5.006 -18.709 4.141 414 HH TYR 52 HH TYR 52 6.688 -16.950 3.237 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 -32.802 8.138 23.940 2 H2 GLY 1 HT2 GLY 1 -34.013 9.076 24.677 3 H3 GLY 1 HT3 GLY 1 -32.787 9.825 23.769 4 HA2 GLY 1 HA2 GLY 1 -35.127 8.305 22.844 5 HA3 GLY 1 HA1 GLY 1 -34.510 9.857 22.275 6 H SER 2 HN SER 2 -35.075 8.049 20.369 7 HA SER 2 HA SER 2 -34.218 6.900 18.571 8 HB2 SER 2 HB2 SER 2 -31.693 8.338 19.417 9 HB3 SER 2 HB1 SER 2 -31.945 7.549 17.864 10 HG SER 2 HG SER 2 -33.845 8.976 17.703 11 H VAL 3 HN VAL 3 -34.193 5.614 21.210 12 HA VAL 3 HA VAL 3 -31.782 4.172 21.586 13 HB VAL 3 HB VAL 3 -34.616 3.588 22.494 14 HG11 VAL 3 HG11 VAL 3 -33.430 1.961 24.061 15 HG12 VAL 3 HG12 VAL 3 -32.033 2.090 22.993 16 HG13 VAL 3 HG13 VAL 3 -33.555 1.443 22.380 17 HG21 VAL 3 HG21 VAL 3 -32.108 4.639 23.843 18 HG22 VAL 3 HG22 VAL 3 -33.561 4.158 24.716 19 HG23 VAL 3 HG23 VAL 3 -33.619 5.511 23.591 20 H GLU 4 HN GLU 4 -34.706 3.468 19.697 21 HA GLU 4 HA GLU 4 -33.998 0.815 19.004 22 HB2 GLU 4 HB2 GLU 4 -35.701 1.002 17.278 23 HB3 GLU 4 HB1 GLU 4 -36.287 1.748 18.765 24 HG2 GLU 4 HG2 GLU 4 -35.555 3.973 17.875 25 HG3 GLU 4 HG1 GLU 4 -35.132 3.187 16.356 26 H LYS 5 HN LYS 5 -32.871 3.881 17.904 27 HA LYS 5 HA LYS 5 -31.827 2.853 15.385 28 HB2 LYS 5 HB2 LYS 5 -31.483 5.541 16.746 29 HB3 LYS 5 HB1 LYS 5 -30.860 5.134 15.148 30 HG2 LYS 5 HG2 LYS 5 -33.151 4.639 14.375 31 HG3 LYS 5 HG1 LYS 5 -33.778 5.063 15.968 32 HD2 LYS 5 HD2 LYS 5 -32.853 7.347 15.712 33 HD3 LYS 5 HD1 LYS 5 -32.276 6.922 14.102 34 HE2 LYS 5 HE2 LYS 5 -35.176 6.829 14.984 35 HE3 LYS 5 HE1 LYS 5 -34.453 8.118 14.020 36 HZ1 LYS 5 HZ1 LYS 5 -33.732 6.153 12.515 37 HZ2 LYS 5 HZ2 LYS 5 -35.318 6.756 12.412 38 HZ3 LYS 5 HZ3 LYS 5 -35.001 5.327 13.278 39 H LEU 6 HN LEU 6 -29.332 4.050 15.214 40 HA LEU 6 HA LEU 6 -27.103 3.605 15.675 41 HB2 LEU 6 HB2 LEU 6 -28.065 3.422 18.542 42 HB3 LEU 6 HB1 LEU 6 -26.425 3.761 17.992 43 HG LEU 6 HG LEU 6 -28.849 5.508 17.464 44 HD11 LEU 6 HD11 LEU 6 -26.463 5.924 19.291 45 HD12 LEU 6 HD12 LEU 6 -28.095 5.522 19.825 46 HD13 LEU 6 HD13 LEU 6 -27.780 7.067 19.034 47 HD21 LEU 6 HD21 LEU 6 -26.889 7.125 16.818 48 HD22 LEU 6 HD22 LEU 6 -27.395 5.907 15.654 49 HD23 LEU 6 HD23 LEU 6 -25.950 5.645 16.629 50 H THR 7 HN THR 7 -29.024 1.384 15.190 51 HA THR 7 HA THR 7 -28.344 -0.822 16.841 52 HB THR 7 HB THR 7 -29.386 -0.780 14.005 53 HG1 THR 7 HG1 THR 7 -31.017 -1.482 16.082 54 HG21 THR 7 HG21 THR 7 -29.092 -2.966 16.066 55 HG22 THR 7 HG22 THR 7 -28.504 -2.954 14.401 56 HG23 THR 7 HG23 THR 7 -30.233 -3.084 14.726 57 H ALA 8 HN ALA 8 -26.991 0.406 13.787 58 HA ALA 8 HA ALA 8 -25.257 -1.789 13.323 59 HB1 ALA 8 HB1 ALA 8 -24.075 -0.312 11.767 60 HB2 ALA 8 HB2 ALA 8 -24.923 1.089 12.422 61 HB3 ALA 8 HB3 ALA 8 -25.819 -0.161 11.552 62 H ASP 9 HN ASP 9 -25.119 0.897 15.481 63 HA ASP 9 HA ASP 9 -22.304 1.039 15.816 64 HB2 ASP 9 HB2 ASP 9 -24.547 1.791 17.702 65 HB3 ASP 9 HB1 ASP 9 -22.848 2.040 18.075 66 H ALA 10 HN ALA 10 -24.756 -1.039 17.287 67 HA ALA 10 HA ALA 10 -23.136 -2.135 19.325 68 HB1 ALA 10 HB1 ALA 10 -25.459 -3.427 17.861 69 HB2 ALA 10 HB2 ALA 10 -25.569 -2.444 19.323 70 HB3 ALA 10 HB3 ALA 10 -24.746 -4.001 19.367 71 H GLU 11 HN GLU 11 -23.257 -2.718 15.904 72 HA GLU 11 HA GLU 11 -22.125 -5.300 15.851 73 HB2 GLU 11 HB2 GLU 11 -23.173 -4.298 13.863 74 HB3 GLU 11 HB1 GLU 11 -21.865 -3.123 13.750 75 HG2 GLU 11 HG2 GLU 11 -20.236 -4.928 13.439 76 HG3 GLU 11 HG1 GLU 11 -21.511 -6.131 13.627 77 H LEU 12 HN LEU 12 -20.593 -2.093 16.033 78 HA LEU 12 HA LEU 12 -17.957 -2.981 15.567 79 HB2 LEU 12 HB2 LEU 12 -19.023 -0.553 17.026 80 HB3 LEU 12 HB1 LEU 12 -17.300 -0.872 16.851 81 HG LEU 12 HG LEU 12 -17.596 -0.988 14.384 82 HD11 LEU 12 HD11 LEU 12 -19.834 0.092 13.589 83 HD12 LEU 12 HD12 LEU 12 -20.454 -0.409 15.163 84 HD13 LEU 12 HD13 LEU 12 -19.839 -1.613 14.031 85 HD21 LEU 12 HD21 LEU 12 -18.598 1.539 15.734 86 HD22 LEU 12 HD22 LEU 12 -18.001 1.454 14.078 87 HD23 LEU 12 HD23 LEU 12 -16.913 1.120 15.425 88 H GLN 13 HN GLN 13 -19.856 -2.796 18.569 89 HA GLN 13 HA GLN 13 -17.657 -3.490 20.266 90 HB2 GLN 13 HB2 GLN 13 -20.653 -3.578 20.701 91 HB3 GLN 13 HB1 GLN 13 -19.485 -4.035 21.937 92 HG2 GLN 13 HG2 GLN 13 -20.025 -1.726 22.313 93 HG3 GLN 13 HG1 GLN 13 -18.405 -1.763 21.626 94 HE21 GLN 13 HE21 GLN 13 -18.271 0.056 20.289 95 HE22 GLN 13 HE22 GLN 13 -19.437 0.486 19.131 96 H ARG 14 HN ARG 14 -19.845 -5.288 18.277 97 HA ARG 14 HA ARG 14 -19.712 -7.786 19.572 98 HB2 ARG 14 HB2 ARG 14 -21.335 -7.332 17.770 99 HB3 ARG 14 HB1 ARG 14 -20.025 -7.273 16.593 100 HG2 ARG 14 HG2 ARG 14 -19.432 -9.599 17.099 101 HG3 ARG 14 HG1 ARG 14 -20.690 -9.664 18.333 102 HD2 ARG 14 HD2 ARG 14 -21.518 -10.679 16.274 103 HD3 ARG 14 HD1 ARG 14 -22.390 -9.181 16.585 104 HE ARG 14 HE ARG 14 -21.400 -8.257 14.686 105 HH11 ARG 14 HH11 ARG 14 -20.166 -8.411 12.785 106 HH12 ARG 14 HH12 ARG 14 -19.100 -9.758 12.558 107 HH21 ARG 14 HH21 ARG 14 -19.884 -11.232 15.599 108 HH22 ARG 14 HH22 ARG 14 -18.942 -11.355 14.151 109 H LEU 15 HN LEU 15 -17.501 -6.235 17.269 110 HA LEU 15 HA LEU 15 -15.893 -8.504 16.778 111 HB2 LEU 15 HB2 LEU 15 -15.274 -5.543 16.629 112 HB3 LEU 15 HB1 LEU 15 -14.086 -6.784 16.238 113 HG LEU 15 HG LEU 15 -15.691 -7.739 14.576 114 HD11 LEU 15 HD11 LEU 15 -17.324 -5.377 15.512 115 HD12 LEU 15 HD12 LEU 15 -17.830 -7.053 15.300 116 HD13 LEU 15 HD13 LEU 15 -17.538 -6.038 13.891 117 HD21 LEU 15 HD21 LEU 15 -15.098 -4.793 14.153 118 HD22 LEU 15 HD22 LEU 15 -15.308 -6.016 12.900 119 HD23 LEU 15 HD23 LEU 15 -13.908 -6.082 13.970 120 H LYS 16 HN LYS 16 -15.835 -6.089 19.373 121 HA LYS 16 HA LYS 16 -13.363 -6.872 20.496 122 HB2 LYS 16 HB2 LYS 16 -15.775 -5.531 21.751 123 HB3 LYS 16 HB1 LYS 16 -14.263 -5.821 22.610 124 HG2 LYS 16 HG2 LYS 16 -13.038 -4.534 20.906 125 HG3 LYS 16 HG1 LYS 16 -14.545 -4.246 20.036 126 HD2 LYS 16 HD2 LYS 16 -15.462 -3.071 22.001 127 HD3 LYS 16 HD1 LYS 16 -13.958 -3.360 22.877 128 HE2 LYS 16 HE2 LYS 16 -12.716 -2.072 21.182 129 HE3 LYS 16 HE1 LYS 16 -14.215 -1.785 20.298 130 HZ1 LYS 16 HZ1 LYS 16 -13.486 0.038 21.840 131 HZ2 LYS 16 HZ2 LYS 16 -13.849 -1.005 23.132 132 HZ3 LYS 16 HZ3 LYS 16 -15.074 -0.513 22.062 133 H ASN 17 HN ASN 17 -16.655 -8.098 20.912 134 HA ASN 17 HA ASN 17 -16.135 -9.752 23.139 135 HB2 ASN 17 HB2 ASN 17 -18.230 -9.941 20.957 136 HB3 ASN 17 HB1 ASN 17 -18.152 -11.056 22.319 137 HD21 ASN 17 HD21 ASN 17 -20.361 -9.225 21.878 138 HD22 ASN 17 HD22 ASN 17 -20.374 -8.129 23.175 139 H GLU 18 HN GLU 18 -15.710 -10.263 19.663 140 HA GLU 18 HA GLU 18 -15.215 -13.043 19.787 141 HB2 GLU 18 HB2 GLU 18 -15.677 -11.900 17.651 142 HB3 GLU 18 HB1 GLU 18 -14.135 -11.055 17.758 143 HG2 GLU 18 HG2 GLU 18 -12.934 -13.193 17.723 144 HG3 GLU 18 HG1 GLU 18 -14.465 -14.067 17.689 145 H ALA 19 HN ALA 19 -13.082 -10.242 20.207 146 HA ALA 19 HA ALA 19 -10.649 -11.702 20.250 147 HB1 ALA 19 HB1 ALA 19 -10.684 -9.252 19.981 148 HB2 ALA 19 HB2 ALA 19 -9.683 -9.728 21.350 149 HB3 ALA 19 HB3 ALA 19 -11.296 -9.075 21.626 150 H ALA 20 HN ALA 20 -13.191 -11.315 22.557 151 HA ALA 20 HA ALA 20 -11.555 -12.145 24.829 152 HB1 ALA 20 HB1 ALA 20 -14.567 -11.866 24.712 153 HB2 ALA 20 HB2 ALA 20 -13.472 -10.524 25.058 154 HB3 ALA 20 HB3 ALA 20 -13.545 -11.908 26.149 155 H GLU 21 HN GLU 21 -13.394 -13.627 22.346 156 HA GLU 21 HA GLU 21 -14.290 -15.936 23.693 157 HB2 GLU 21 HB2 GLU 21 -13.663 -15.471 20.768 158 HB3 GLU 21 HB1 GLU 21 -14.334 -16.978 21.387 159 HG2 GLU 21 HG2 GLU 21 -16.274 -15.819 22.265 160 HG3 GLU 21 HG1 GLU 21 -15.583 -14.256 21.836 161 H GLU 22 HN GLU 22 -11.165 -15.235 22.125 162 HA GLU 22 HA GLU 22 -10.201 -17.912 22.317 163 HB2 GLU 22 HB2 GLU 22 -8.033 -16.990 21.770 164 HB3 GLU 22 HB1 GLU 22 -9.252 -16.193 20.779 165 HG2 GLU 22 HG2 GLU 22 -9.310 -14.336 22.466 166 HG3 GLU 22 HG1 GLU 22 -7.956 -15.100 23.291 167 H ALA 23 HN ALA 23 -10.586 -15.393 24.609 168 HA ALA 23 HA ALA 23 -8.495 -16.016 26.396 169 HB1 ALA 23 HB1 ALA 23 -9.797 -13.936 26.610 170 HB2 ALA 23 HB2 ALA 23 -9.790 -14.849 28.116 171 HB3 ALA 23 HB3 ALA 23 -11.218 -14.866 27.088 172 H GLU 24 HN GLU 24 -11.715 -17.433 25.985 173 HA GLU 24 HA GLU 24 -11.711 -18.953 28.365 174 HB2 GLU 24 HB2 GLU 24 -13.769 -18.618 27.058 175 HB3 GLU 24 HB1 GLU 24 -13.112 -19.582 25.738 176 HG2 GLU 24 HG2 GLU 24 -14.595 -20.955 27.105 177 HG3 GLU 24 HG1 GLU 24 -12.942 -21.530 27.287 178 H LEU 25 HN LEU 25 -10.395 -19.615 25.133 179 HA LEU 25 HA LEU 25 -9.727 -22.318 25.637 180 HB2 LEU 25 HB2 LEU 25 -9.801 -21.459 23.345 181 HB3 LEU 25 HB1 LEU 25 -8.451 -20.378 23.675 182 HG LEU 25 HG LEU 25 -7.005 -22.338 24.140 183 HD11 LEU 25 HD11 LEU 25 -8.388 -24.064 24.916 184 HD12 LEU 25 HD12 LEU 25 -8.066 -24.587 23.266 185 HD13 LEU 25 HD13 LEU 25 -9.596 -23.804 23.658 186 HD21 LEU 25 HD21 LEU 25 -8.450 -22.640 21.493 187 HD22 LEU 25 HD22 LEU 25 -6.767 -23.036 21.843 188 HD23 LEU 25 HD23 LEU 25 -7.291 -21.352 21.828 189 H GLU 26 HN GLU 26 -7.984 -19.282 26.192 190 HA GLU 26 HA GLU 26 -5.509 -20.443 26.900 191 HB2 GLU 26 HB2 GLU 26 -6.741 -17.775 27.643 192 HB3 GLU 26 HB1 GLU 26 -5.111 -18.256 28.108 193 HG2 GLU 26 HG2 GLU 26 -4.456 -18.514 25.793 194 HG3 GLU 26 HG1 GLU 26 -6.110 -18.240 25.251 195 H ARG 27 HN ARG 27 -8.431 -19.770 28.791 196 HA ARG 27 HA ARG 27 -7.291 -20.244 31.328 197 HB2 ARG 27 HB2 ARG 27 -10.155 -20.510 30.360 198 HB3 ARG 27 HB1 ARG 27 -9.676 -20.722 32.040 199 HG2 ARG 27 HG2 ARG 27 -8.898 -18.222 30.545 200 HG3 ARG 27 HG1 ARG 27 -10.505 -18.373 31.249 201 HD2 ARG 27 HD2 ARG 27 -7.884 -18.626 32.767 202 HD3 ARG 27 HD1 ARG 27 -8.970 -17.249 32.809 203 HE ARG 27 HE ARG 27 -9.353 -19.792 34.155 204 HH11 ARG 27 HH11 ARG 27 -11.151 -19.879 35.538 205 HH12 ARG 27 HH12 ARG 27 -12.363 -18.643 35.456 206 HH21 ARG 27 HH21 ARG 27 -10.771 -16.885 32.926 207 HH22 ARG 27 HH22 ARG 27 -12.145 -16.947 33.976 208 H LEU 28 HN LEU 28 -8.656 -22.422 28.902 209 HA LEU 28 HA LEU 28 -8.460 -24.733 30.649 210 HB2 LEU 28 HB2 LEU 28 -8.997 -24.556 27.671 211 HB3 LEU 28 HB1 LEU 28 -9.175 -25.998 28.668 212 HG LEU 28 HG LEU 28 -10.702 -23.408 29.073 213 HD11 LEU 28 HD11 LEU 28 -12.645 -24.786 28.283 214 HD12 LEU 28 HD12 LEU 28 -11.511 -26.067 27.855 215 HD13 LEU 28 HD13 LEU 28 -11.432 -24.508 27.033 216 HD21 LEU 28 HD21 LEU 28 -10.683 -24.406 31.191 217 HD22 LEU 28 HD22 LEU 28 -10.598 -26.042 30.539 218 HD23 LEU 28 HD23 LEU 28 -12.118 -25.148 30.488 219 H LYS 29 HN LYS 29 -6.372 -22.974 28.618 220 HA LYS 29 HA LYS 29 -4.704 -25.034 27.647 221 HB2 LYS 29 HB2 LYS 29 -4.569 -22.737 26.767 222 HB3 LYS 29 HB1 LYS 29 -3.919 -22.173 28.304 223 HG2 LYS 29 HG2 LYS 29 -1.978 -23.659 28.049 224 HG3 LYS 29 HG1 LYS 29 -2.636 -24.269 26.530 225 HD2 LYS 29 HD2 LYS 29 -2.542 -21.987 25.580 226 HD3 LYS 29 HD1 LYS 29 -1.861 -21.391 27.095 227 HE2 LYS 29 HE2 LYS 29 -0.599 -23.532 25.358 228 HE3 LYS 29 HE1 LYS 29 -0.105 -21.841 25.388 229 HZ1 LYS 29 HZ1 LYS 29 -0.023 -22.375 27.969 230 HZ2 LYS 29 HZ2 LYS 29 1.305 -22.634 26.942 231 HZ3 LYS 29 HZ3 LYS 29 0.300 -23.932 27.377 232 H SER 30 HN SER 30 -4.725 -23.293 30.738 233 HA SER 30 HA SER 30 -2.262 -24.250 31.718 234 HB2 SER 30 HB2 SER 30 -3.135 -23.665 33.930 235 HB3 SER 30 HB1 SER 30 -3.515 -22.401 32.766 236 HG SER 30 HG SER 30 -5.171 -24.228 34.058 237 H GLU 31 HN GLU 31 -5.490 -25.646 31.661 238 HA GLU 31 HA GLU 31 -5.005 -27.776 33.455 239 HB2 GLU 31 HB2 GLU 31 -6.999 -27.505 31.189 240 HB3 GLU 31 HB1 GLU 31 -6.942 -28.893 32.274 241 HG2 GLU 31 HG2 GLU 31 -7.333 -27.485 34.201 242 HG3 GLU 31 HG1 GLU 31 -7.203 -26.028 33.216 243 H ARG 32 HN ARG 32 -4.421 -27.419 29.985 244 HA ARG 32 HA ARG 32 -3.291 -28.772 28.478 245 HB2 ARG 32 HB2 ARG 32 -1.931 -29.707 31.020 246 HB3 ARG 32 HB1 ARG 32 -1.328 -29.943 29.380 247 HG2 ARG 32 HG2 ARG 32 -1.240 -27.493 29.062 248 HG3 ARG 32 HG1 ARG 32 -1.824 -27.263 30.710 249 HD2 ARG 32 HD2 ARG 32 0.585 -27.042 30.734 250 HD3 ARG 32 HD1 ARG 32 0.164 -28.557 31.528 251 HE ARG 32 HE ARG 32 0.634 -29.000 28.758 252 HH11 ARG 32 HH11 ARG 32 2.591 -29.989 28.168 253 HH12 ARG 32 HH12 ARG 32 3.920 -30.000 29.280 254 HH21 ARG 32 HH21 ARG 32 2.206 -28.278 31.755 255 HH22 ARG 32 HH22 ARG 32 3.701 -29.031 31.311 256 H HIS 33 HN HIS 33 -5.795 -29.738 29.447 257 HA HIS 33 HA HIS 33 -5.747 -32.442 30.239 258 HB2 HIS 33 HB2 HIS 33 -7.793 -31.071 30.338 259 HB3 HIS 33 HB1 HIS 33 -7.847 -31.025 28.573 260 HD2 HIS 33 HD2 HIS 33 -8.518 -33.576 31.487 261 HE1 HIS 33 HE1 HIS 33 -9.681 -35.388 27.855 262 HE2 HIS 33 HE2 HIS 33 -9.691 -35.631 30.383 263 H ASP 34 HN ASP 34 -5.924 -30.993 26.991 264 HA ASP 34 HA ASP 34 -5.924 -33.541 25.664 265 HB2 ASP 34 HB2 ASP 34 -5.706 -32.206 23.609 266 HB3 ASP 34 HB1 ASP 34 -6.967 -31.559 24.656 267 H HIS 35 HN HIS 35 -4.267 -34.588 24.622 268 HA HIS 35 HA HIS 35 -1.594 -34.065 25.596 269 HB2 HIS 35 HB2 HIS 35 -1.006 -36.116 24.380 270 HB3 HIS 35 HB1 HIS 35 -2.435 -36.370 25.381 271 HD2 HIS 35 HD2 HIS 35 -4.776 -36.980 23.951 272 HE1 HIS 35 HE1 HIS 35 -3.118 -36.620 20.085 273 HE2 HIS 35 HE2 HIS 35 -5.174 -37.333 21.394 274 H ASP 36 HN ASP 36 -3.413 -32.871 23.089 275 HA ASP 36 HA ASP 36 -1.643 -32.876 20.910 276 HB2 ASP 36 HB2 ASP 36 -4.023 -32.215 20.710 277 HB3 ASP 36 HB1 ASP 36 -3.678 -30.728 21.589 278 H LYS 37 HN LYS 37 -1.809 -30.745 23.724 279 HA LYS 37 HA LYS 37 -0.068 -28.748 22.769 280 HB2 LYS 37 HB2 LYS 37 -1.392 -28.449 24.831 281 HB3 LYS 37 HB1 LYS 37 -0.411 -29.666 25.647 282 HG2 LYS 37 HG2 LYS 37 1.605 -28.290 25.292 283 HG3 LYS 37 HG1 LYS 37 0.634 -27.080 24.452 284 HD2 LYS 37 HD2 LYS 37 -0.706 -26.736 26.495 285 HD3 LYS 37 HD1 LYS 37 0.264 -27.948 27.332 286 HE2 LYS 37 HE2 LYS 37 2.286 -26.584 26.983 287 HE3 LYS 37 HE1 LYS 37 1.327 -25.374 26.134 288 HZ1 LYS 37 HZ1 LYS 37 0.999 -26.204 28.965 289 HZ2 LYS 37 HZ2 LYS 37 -0.003 -25.099 28.154 290 HZ3 LYS 37 HZ3 LYS 37 1.635 -24.730 28.418 291 H LYS 38 HN LYS 38 0.562 -31.908 24.225 292 HA LYS 38 HA LYS 38 3.331 -31.553 24.652 293 HB2 LYS 38 HB2 LYS 38 1.706 -34.066 24.177 294 HB3 LYS 38 HB1 LYS 38 3.428 -34.076 24.550 295 HG2 LYS 38 HG2 LYS 38 2.992 -32.847 26.639 296 HG3 LYS 38 HG1 LYS 38 1.267 -32.821 26.267 297 HD2 LYS 38 HD2 LYS 38 1.191 -35.269 26.324 298 HD3 LYS 38 HD1 LYS 38 2.928 -35.333 26.624 299 HE2 LYS 38 HE2 LYS 38 1.706 -35.588 28.735 300 HE3 LYS 38 HE1 LYS 38 2.592 -34.063 28.732 301 HZ1 LYS 38 HZ1 LYS 38 -0.036 -34.322 29.268 302 HZ2 LYS 38 HZ2 LYS 38 -0.061 -33.883 27.627 303 HZ3 LYS 38 HZ3 LYS 38 0.712 -32.887 28.765 304 H GLU 39 HN GLU 39 1.490 -32.528 21.796 305 HA GLU 39 HA GLU 39 3.709 -33.348 20.225 306 HB2 GLU 39 HB2 GLU 39 0.963 -32.341 19.440 307 HB3 GLU 39 HB1 GLU 39 2.148 -32.960 18.290 308 HG2 GLU 39 HG2 GLU 39 2.198 -35.115 19.419 309 HG3 GLU 39 HG1 GLU 39 1.124 -34.513 20.681 310 H ALA 40 HN ALA 40 2.498 -30.260 21.136 311 HA ALA 40 HA ALA 40 3.388 -28.681 18.977 312 HB1 ALA 40 HB1 ALA 40 3.285 -27.843 21.887 313 HB2 ALA 40 HB2 ALA 40 1.892 -27.853 20.802 314 HB3 ALA 40 HB3 ALA 40 3.257 -26.786 20.478 315 H GLU 41 HN GLU 41 5.165 -30.328 21.420 316 HA GLU 41 HA GLU 41 7.441 -28.696 21.641 317 HB2 GLU 41 HB2 GLU 41 8.607 -30.660 22.423 318 HB3 GLU 41 HB1 GLU 41 6.963 -30.717 23.053 319 HG2 GLU 41 HG2 GLU 41 6.360 -32.176 21.069 320 HG3 GLU 41 HG1 GLU 41 8.078 -32.255 20.692 321 H ARG 42 HN ARG 42 6.279 -30.576 19.017 322 HA ARG 42 HA ARG 42 8.701 -31.144 17.686 323 HB2 ARG 42 HB2 ARG 42 6.578 -32.200 17.022 324 HB3 ARG 42 HB1 ARG 42 5.975 -30.649 16.440 325 HG2 ARG 42 HG2 ARG 42 7.790 -30.528 14.798 326 HG3 ARG 42 HG1 ARG 42 8.465 -32.038 15.413 327 HD2 ARG 42 HD2 ARG 42 6.392 -33.218 14.791 328 HD3 ARG 42 HD1 ARG 42 5.715 -31.713 14.179 329 HE ARG 42 HE ARG 42 7.733 -33.362 12.888 330 HH11 ARG 42 HH11 ARG 42 8.312 -32.700 10.793 331 HH12 ARG 42 HH12 ARG 42 7.837 -31.133 10.223 332 HH21 ARG 42 HH21 ARG 42 6.206 -30.268 13.158 333 HH22 ARG 42 HH22 ARG 42 6.645 -29.758 11.563 334 H LYS 43 HN LYS 43 6.653 -28.255 17.709 335 HA LYS 43 HA LYS 43 8.010 -26.902 15.602 336 HB2 LYS 43 HB2 LYS 43 6.294 -25.864 17.873 337 HB3 LYS 43 HB1 LYS 43 6.916 -24.857 16.566 338 HG2 LYS 43 HG2 LYS 43 5.781 -26.287 14.909 339 HG3 LYS 43 HG1 LYS 43 5.154 -27.299 16.211 340 HD2 LYS 43 HD2 LYS 43 3.934 -25.382 17.142 341 HD3 LYS 43 HD1 LYS 43 4.589 -24.337 15.880 342 HE2 LYS 43 HE2 LYS 43 2.326 -25.053 15.274 343 HE3 LYS 43 HE1 LYS 43 3.496 -25.762 14.163 344 HZ1 LYS 43 HZ1 LYS 43 2.889 -27.308 16.548 345 HZ2 LYS 43 HZ2 LYS 43 3.137 -27.825 14.948 346 HZ3 LYS 43 HZ3 LYS 43 1.636 -27.177 15.412 347 H ALA 44 HN ALA 44 8.736 -27.407 18.946 348 HA ALA 44 HA ALA 44 10.349 -25.150 19.448 349 HB1 ALA 44 HB1 ALA 44 10.676 -27.935 20.606 350 HB2 ALA 44 HB2 ALA 44 9.615 -26.679 21.246 351 HB3 ALA 44 HB3 ALA 44 11.362 -26.449 21.258 352 H LEU 45 HN LEU 45 10.959 -28.030 17.597 353 HA LEU 45 HA LEU 45 13.784 -27.962 17.631 354 HB2 LEU 45 HB2 LEU 45 11.823 -29.113 15.634 355 HB3 LEU 45 HB1 LEU 45 13.563 -29.200 15.392 356 HG LEU 45 HG LEU 45 12.553 -31.229 16.501 357 HD11 LEU 45 HD11 LEU 45 14.425 -31.612 17.813 358 HD12 LEU 45 HD12 LEU 45 14.426 -29.992 18.503 359 HD13 LEU 45 HD13 LEU 45 14.999 -30.250 16.855 360 HD21 LEU 45 HD21 LEU 45 12.305 -29.475 18.950 361 HD22 LEU 45 HD22 LEU 45 11.714 -31.118 18.721 362 HD23 LEU 45 HD23 LEU 45 10.941 -29.782 17.876 363 H GLU 46 HN GLU 46 11.403 -26.271 15.635 364 HA GLU 46 HA GLU 46 13.229 -25.239 13.740 365 HB2 GLU 46 HB2 GLU 46 10.543 -24.176 14.667 366 HB3 GLU 46 HB1 GLU 46 11.466 -23.500 13.326 367 HG2 GLU 46 HG2 GLU 46 10.669 -26.414 13.489 368 HG3 GLU 46 HG1 GLU 46 9.715 -25.192 12.651 369 H ASP 47 HN ASP 47 12.248 -24.124 16.947 370 HA ASP 47 HA ASP 47 13.374 -21.545 16.806 371 HB2 ASP 47 HB2 ASP 47 12.839 -23.359 19.171 372 HB3 ASP 47 HB1 ASP 47 13.468 -21.722 19.335 373 H LYS 48 HN LYS 48 14.811 -24.689 17.588 374 HA LYS 48 HA LYS 48 17.260 -23.709 18.588 375 HB2 LYS 48 HB2 LYS 48 16.580 -26.343 17.248 376 HB3 LYS 48 HB1 LYS 48 18.161 -25.977 17.935 377 HG2 LYS 48 HG2 LYS 48 17.125 -25.546 20.123 378 HG3 LYS 48 HG1 LYS 48 15.535 -25.893 19.444 379 HD2 LYS 48 HD2 LYS 48 16.265 -28.184 18.895 380 HD3 LYS 48 HD1 LYS 48 17.857 -27.840 19.573 381 HE2 LYS 48 HE2 LYS 48 16.832 -27.404 21.772 382 HE3 LYS 48 HE1 LYS 48 15.238 -27.737 21.098 383 HZ1 LYS 48 HZ1 LYS 48 15.734 -29.784 21.891 384 HZ2 LYS 48 HZ2 LYS 48 17.412 -29.578 21.736 385 HZ3 LYS 48 HZ3 LYS 48 16.467 -29.938 20.370 386 H LEU 49 HN LEU 49 16.163 -24.356 15.277 387 HA LEU 49 HA LEU 49 18.756 -23.873 14.116 388 HB2 LEU 49 HB2 LEU 49 16.008 -23.921 12.833 389 HB3 LEU 49 HB1 LEU 49 17.544 -23.911 11.970 390 HG LEU 49 HG LEU 49 16.669 -26.062 13.923 391 HD11 LEU 49 HD11 LEU 49 16.373 -27.462 11.932 392 HD12 LEU 49 HD12 LEU 49 16.850 -26.118 10.894 393 HD13 LEU 49 HD13 LEU 49 15.349 -26.030 11.817 394 HD21 LEU 49 HD21 LEU 49 19.007 -26.163 13.965 395 HD22 LEU 49 HD22 LEU 49 19.169 -25.569 12.312 396 HD23 LEU 49 HD23 LEU 49 18.658 -27.230 12.609 397 H ALA 50 HN ALA 50 16.187 -21.938 15.266 398 HA ALA 50 HA ALA 50 15.821 -19.648 15.261 399 HB1 ALA 50 HB1 ALA 50 18.681 -19.424 14.311 400 HB2 ALA 50 HB2 ALA 50 18.249 -19.740 15.991 401 HB3 ALA 50 HB3 ALA 50 17.746 -18.237 15.218 402 H ASP 51 HN ASP 51 15.391 -21.263 12.808 403 HA ASP 51 HA ASP 51 16.015 -19.434 10.617 404 HB2 ASP 51 HB2 ASP 51 15.019 -21.128 9.192 405 HB3 ASP 51 HB1 ASP 51 16.141 -21.898 10.311 406 H TYR 52 HN TYR 52 13.833 -19.338 13.003 407 HA TYR 52 HA TYR 52 11.660 -18.532 13.255 408 HB2 TYR 52 HB2 TYR 52 12.683 -16.799 10.991 409 HB3 TYR 52 HB1 TYR 52 11.270 -16.441 11.985 410 HD1 TYR 52 HD1 TYR 52 14.934 -16.592 11.877 411 HD2 TYR 52 HD2 TYR 52 11.511 -15.888 14.375 412 HE1 TYR 52 HE1 TYR 52 16.400 -15.575 13.599 413 HE2 TYR 52 HE2 TYR 52 12.977 -14.871 16.097 414 HH TYR 52 HH TYR 52 16.458 -14.432 15.519 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 -19.268 16.375 13.300 2 H2 GLY 1 HT2 GLY 1 -19.776 17.912 13.814 3 H3 GLY 1 HT3 GLY 1 -19.747 17.536 12.159 4 HA2 GLY 1 HA2 GLY 1 -21.867 17.247 13.932 5 HA3 GLY 1 HA1 GLY 1 -21.805 16.766 12.237 6 H SER 2 HN SER 2 -21.837 14.643 11.756 7 HA SER 2 HA SER 2 -22.360 12.720 13.742 8 HB2 SER 2 HB2 SER 2 -23.155 12.418 11.463 9 HB3 SER 2 HB1 SER 2 -21.508 12.308 10.861 10 HG SER 2 HG SER 2 -21.315 10.354 11.713 11 H VAL 3 HN VAL 3 -19.350 13.564 12.049 12 HA VAL 3 HA VAL 3 -17.829 11.398 13.050 13 HB VAL 3 HB VAL 3 -16.980 14.121 12.018 14 HG11 VAL 3 HG11 VAL 3 -15.227 13.460 13.512 15 HG12 VAL 3 HG12 VAL 3 -14.693 13.000 11.895 16 HG13 VAL 3 HG13 VAL 3 -15.332 11.776 12.993 17 HG21 VAL 3 HG21 VAL 3 -16.133 12.667 10.139 18 HG22 VAL 3 HG22 VAL 3 -17.888 12.668 10.300 19 HG23 VAL 3 HG23 VAL 3 -16.948 11.302 10.897 20 H GLU 4 HN GLU 4 -18.454 14.655 14.331 21 HA GLU 4 HA GLU 4 -16.637 14.485 16.489 22 HB2 GLU 4 HB2 GLU 4 -19.137 16.157 16.118 23 HB3 GLU 4 HB1 GLU 4 -18.073 16.294 17.517 24 HG2 GLU 4 HG2 GLU 4 -16.194 16.874 16.110 25 HG3 GLU 4 HG1 GLU 4 -17.134 16.563 14.651 26 H LYS 5 HN LYS 5 -20.001 13.439 16.140 27 HA LYS 5 HA LYS 5 -20.517 12.926 18.863 28 HB2 LYS 5 HB2 LYS 5 -21.666 11.692 16.351 29 HB3 LYS 5 HB1 LYS 5 -22.242 11.320 17.975 30 HG2 LYS 5 HG2 LYS 5 -22.837 13.626 18.376 31 HG3 LYS 5 HG1 LYS 5 -22.067 14.136 16.876 32 HD2 LYS 5 HD2 LYS 5 -24.425 14.059 16.442 33 HD3 LYS 5 HD1 LYS 5 -23.721 12.654 15.646 34 HE2 LYS 5 HE2 LYS 5 -24.452 11.193 17.427 35 HE3 LYS 5 HE1 LYS 5 -24.954 12.564 18.415 36 HZ1 LYS 5 HZ1 LYS 5 -26.632 13.099 16.802 37 HZ2 LYS 5 HZ2 LYS 5 -26.809 11.474 17.263 38 HZ3 LYS 5 HZ3 LYS 5 -26.102 11.863 15.768 39 H LEU 6 HN LEU 6 -19.049 10.918 16.342 40 HA LEU 6 HA LEU 6 -17.926 8.886 16.459 41 HB2 LEU 6 HB2 LEU 6 -17.471 9.822 19.307 42 HB3 LEU 6 HB1 LEU 6 -16.625 8.486 18.535 43 HG LEU 6 HG LEU 6 -16.617 11.335 17.490 44 HD11 LEU 6 HD11 LEU 6 -15.454 11.379 19.574 45 HD12 LEU 6 HD12 LEU 6 -14.205 11.247 18.336 46 HD13 LEU 6 HD13 LEU 6 -14.684 9.823 19.260 47 HD21 LEU 6 HD21 LEU 6 -14.482 10.296 16.342 48 HD22 LEU 6 HD22 LEU 6 -16.067 9.964 15.655 49 HD23 LEU 6 HD23 LEU 6 -15.277 8.755 16.663 50 H THR 7 HN THR 7 -20.808 8.992 17.069 51 HA THR 7 HA THR 7 -21.427 7.268 19.224 52 HB THR 7 HB THR 7 -22.976 7.809 16.683 53 HG1 THR 7 HG1 THR 7 -23.451 8.847 19.250 54 HG21 THR 7 HG21 THR 7 -24.910 7.111 18.198 55 HG22 THR 7 HG22 THR 7 -23.687 6.438 19.277 56 HG23 THR 7 HG23 THR 7 -23.857 5.812 17.637 57 H ALA 8 HN ALA 8 -20.725 6.637 15.793 58 HA ALA 8 HA ALA 8 -21.304 3.836 15.954 59 HB1 ALA 8 HB1 ALA 8 -21.316 5.102 13.802 60 HB2 ALA 8 HB2 ALA 8 -20.285 3.674 13.756 61 HB3 ALA 8 HB3 ALA 8 -19.564 5.273 13.927 62 H ASP 9 HN ASP 9 -18.684 5.810 16.898 63 HA ASP 9 HA ASP 9 -16.549 3.969 16.627 64 HB2 ASP 9 HB2 ASP 9 -16.209 6.393 17.118 65 HB3 ASP 9 HB1 ASP 9 -16.784 6.113 18.759 66 H ALA 10 HN ALA 10 -18.985 4.386 19.152 67 HA ALA 10 HA ALA 10 -17.798 2.713 21.090 68 HB1 ALA 10 HB1 ALA 10 -20.083 2.474 22.028 69 HB2 ALA 10 HB2 ALA 10 -20.743 3.271 20.602 70 HB3 ALA 10 HB3 ALA 10 -19.670 4.153 21.691 71 H GLU 11 HN GLU 11 -19.615 1.997 18.185 72 HA GLU 11 HA GLU 11 -20.308 -0.673 18.788 73 HB2 GLU 11 HB2 GLU 11 -21.308 0.536 16.886 74 HB3 GLU 11 HB1 GLU 11 -19.757 0.521 16.049 75 HG2 GLU 11 HG2 GLU 11 -19.765 -1.932 16.037 76 HG3 GLU 11 HG1 GLU 11 -21.284 -1.944 16.931 77 H LEU 12 HN LEU 12 -17.345 0.749 17.466 78 HA LEU 12 HA LEU 12 -16.109 -1.691 16.743 79 HB2 LEU 12 HB2 LEU 12 -14.914 0.994 17.473 80 HB3 LEU 12 HB1 LEU 12 -13.948 -0.380 16.951 81 HG LEU 12 HG LEU 12 -16.246 0.768 15.335 82 HD11 LEU 12 HD11 LEU 12 -14.432 1.763 13.926 83 HD12 LEU 12 HD12 LEU 12 -13.265 1.279 15.156 84 HD13 LEU 12 HD13 LEU 12 -14.515 2.461 15.544 85 HD21 LEU 12 HD21 LEU 12 -14.753 -0.472 13.511 86 HD22 LEU 12 HD22 LEU 12 -15.916 -1.377 14.472 87 HD23 LEU 12 HD23 LEU 12 -14.206 -1.409 14.903 88 H GLN 13 HN GLN 13 -16.282 0.067 19.800 89 HA GLN 13 HA GLN 13 -14.329 -1.466 21.167 90 HB2 GLN 13 HB2 GLN 13 -16.676 0.146 22.204 91 HB3 GLN 13 HB1 GLN 13 -15.528 -0.679 23.256 92 HG2 GLN 13 HG2 GLN 13 -13.687 0.609 22.383 93 HG3 GLN 13 HG1 GLN 13 -14.700 1.310 21.125 94 HE21 GLN 13 HE21 GLN 13 -13.221 2.745 23.298 95 HE22 GLN 13 HE22 GLN 13 -14.404 3.603 24.162 96 H ARG 14 HN ARG 14 -17.779 -1.960 20.594 97 HA ARG 14 HA ARG 14 -18.135 -4.093 22.421 98 HB2 ARG 14 HB2 ARG 14 -19.620 -3.386 19.874 99 HB3 ARG 14 HB1 ARG 14 -20.111 -4.674 20.973 100 HG2 ARG 14 HG2 ARG 14 -20.360 -3.100 22.803 101 HG3 ARG 14 HG1 ARG 14 -19.718 -1.790 21.810 102 HD2 ARG 14 HD2 ARG 14 -22.155 -1.651 21.860 103 HD3 ARG 14 HD1 ARG 14 -21.620 -2.080 20.238 104 HE ARG 14 HE ARG 14 -22.160 -4.424 21.767 105 HH11 ARG 14 HH11 ARG 14 -24.065 -5.566 21.286 106 HH12 ARG 14 HH12 ARG 14 -25.338 -4.786 20.407 107 HH21 ARG 14 HH21 ARG 14 -23.645 -1.774 20.111 108 HH22 ARG 14 HH22 ARG 14 -25.099 -2.639 19.741 109 H LEU 15 HN LEU 15 -16.773 -3.937 19.201 110 HA LEU 15 HA LEU 15 -16.953 -6.699 18.573 111 HB2 LEU 15 HB2 LEU 15 -14.987 -4.597 17.619 112 HB3 LEU 15 HB1 LEU 15 -15.130 -6.214 16.937 113 HG LEU 15 HG LEU 15 -17.398 -4.205 17.072 114 HD11 LEU 15 HD11 LEU 15 -15.452 -3.602 15.552 115 HD12 LEU 15 HD12 LEU 15 -17.009 -3.771 14.745 116 HD13 LEU 15 HD13 LEU 15 -15.815 -5.066 14.639 117 HD21 LEU 15 HD21 LEU 15 -18.478 -6.267 16.901 118 HD22 LEU 15 HD22 LEU 15 -17.131 -7.028 16.055 119 HD23 LEU 15 HD23 LEU 15 -18.202 -5.921 15.196 120 H LYS 16 HN LYS 16 -14.781 -4.850 20.578 121 HA LYS 16 HA LYS 16 -12.622 -6.683 20.658 122 HB2 LYS 16 HB2 LYS 16 -13.559 -4.633 22.685 123 HB3 LYS 16 HB1 LYS 16 -12.066 -5.560 22.837 124 HG2 LYS 16 HG2 LYS 16 -11.282 -4.671 20.678 125 HG3 LYS 16 HG1 LYS 16 -12.774 -3.744 20.514 126 HD2 LYS 16 HD2 LYS 16 -12.242 -2.514 22.585 127 HD3 LYS 16 HD1 LYS 16 -10.751 -3.440 22.754 128 HE2 LYS 16 HE2 LYS 16 -9.949 -2.554 20.596 129 HE3 LYS 16 HE1 LYS 16 -11.441 -1.632 20.418 130 HZ1 LYS 16 HZ1 LYS 16 -10.891 -0.239 22.157 131 HZ2 LYS 16 HZ2 LYS 16 -9.388 -0.481 21.403 132 HZ3 LYS 16 HZ3 LYS 16 -9.772 -1.324 22.826 133 H ASN 17 HN ASN 17 -15.745 -6.656 22.186 134 HA ASN 17 HA ASN 17 -15.199 -8.376 24.355 135 HB2 ASN 17 HB2 ASN 17 -17.759 -7.866 22.816 136 HB3 ASN 17 HB1 ASN 17 -17.673 -8.926 24.220 137 HD21 ASN 17 HD21 ASN 17 -19.207 -6.466 24.182 138 HD22 ASN 17 HD22 ASN 17 -18.507 -5.414 25.313 139 H GLU 18 HN GLU 18 -15.936 -9.028 20.958 140 HA GLU 18 HA GLU 18 -16.360 -11.810 21.221 141 HB2 GLU 18 HB2 GLU 18 -16.986 -10.583 19.173 142 HB3 GLU 18 HB1 GLU 18 -15.284 -10.318 18.802 143 HG2 GLU 18 HG2 GLU 18 -14.914 -12.741 18.673 144 HG3 GLU 18 HG1 GLU 18 -16.596 -13.033 19.109 145 H ALA 19 HN ALA 19 -13.407 -9.892 20.839 146 HA ALA 19 HA ALA 19 -11.644 -12.043 20.346 147 HB1 ALA 19 HB1 ALA 19 -10.949 -9.715 19.993 148 HB2 ALA 19 HB2 ALA 19 -9.852 -10.530 21.106 149 HB3 ALA 19 HB3 ALA 19 -11.058 -9.406 21.728 150 H ALA 20 HN ALA 20 -13.199 -10.939 23.245 151 HA ALA 20 HA ALA 20 -11.427 -12.042 25.156 152 HB1 ALA 20 HB1 ALA 20 -13.254 -10.461 25.751 153 HB2 ALA 20 HB2 ALA 20 -13.278 -11.925 26.733 154 HB3 ALA 20 HB3 ALA 20 -14.435 -11.731 25.418 155 H GLU 21 HN GLU 21 -13.748 -13.481 23.026 156 HA GLU 21 HA GLU 21 -14.231 -15.882 24.432 157 HB2 GLU 21 HB2 GLU 21 -15.603 -15.208 22.495 158 HB3 GLU 21 HB1 GLU 21 -14.230 -15.465 21.422 159 HG2 GLU 21 HG2 GLU 21 -14.152 -17.835 22.057 160 HG3 GLU 21 HG1 GLU 21 -15.483 -17.588 23.184 161 H GLU 22 HN GLU 22 -11.614 -14.907 22.254 162 HA GLU 22 HA GLU 22 -10.441 -17.454 21.953 163 HB2 GLU 22 HB2 GLU 22 -9.234 -14.679 21.784 164 HB3 GLU 22 HB1 GLU 22 -8.336 -16.153 21.432 165 HG2 GLU 22 HG2 GLU 22 -9.882 -16.746 19.665 166 HG3 GLU 22 HG1 GLU 22 -10.939 -15.399 20.082 167 H ALA 23 HN ALA 23 -10.142 -15.001 24.482 168 HA ALA 23 HA ALA 23 -7.899 -16.103 25.802 169 HB1 ALA 23 HB1 ALA 23 -10.203 -14.523 26.992 170 HB2 ALA 23 HB2 ALA 23 -8.707 -13.851 26.342 171 HB3 ALA 23 HB3 ALA 23 -8.666 -14.854 27.789 172 H GLU 24 HN GLU 24 -11.250 -17.038 25.722 173 HA GLU 24 HA GLU 24 -11.329 -18.569 28.096 174 HB2 GLU 24 HB2 GLU 24 -13.381 -17.963 26.865 175 HB3 GLU 24 HB1 GLU 24 -12.912 -19.030 25.543 176 HG2 GLU 24 HG2 GLU 24 -12.958 -20.960 27.056 177 HG3 GLU 24 HG1 GLU 24 -13.358 -19.906 28.410 178 H LEU 25 HN LEU 25 -10.220 -19.332 24.824 179 HA LEU 25 HA LEU 25 -9.912 -22.117 25.205 180 HB2 LEU 25 HB2 LEU 25 -8.492 -20.209 23.323 181 HB3 LEU 25 HB1 LEU 25 -8.288 -21.956 23.285 182 HG LEU 25 HG LEU 25 -10.970 -20.563 23.040 183 HD11 LEU 25 HD11 LEU 25 -9.114 -21.653 20.904 184 HD12 LEU 25 HD12 LEU 25 -9.577 -19.967 21.136 185 HD13 LEU 25 HD13 LEU 25 -10.780 -21.148 20.618 186 HD21 LEU 25 HD21 LEU 25 -11.504 -22.745 23.664 187 HD22 LEU 25 HD22 LEU 25 -10.041 -23.428 22.954 188 HD23 LEU 25 HD23 LEU 25 -11.388 -22.953 21.920 189 H GLU 26 HN GLU 26 -7.844 -19.371 25.989 190 HA GLU 26 HA GLU 26 -5.473 -20.820 26.495 191 HB2 GLU 26 HB2 GLU 26 -6.448 -18.192 27.647 192 HB3 GLU 26 HB1 GLU 26 -4.821 -18.836 27.865 193 HG2 GLU 26 HG2 GLU 26 -6.083 -18.365 25.152 194 HG3 GLU 26 HG1 GLU 26 -5.039 -17.195 25.960 195 H ARG 27 HN ARG 27 -8.382 -20.374 28.374 196 HA ARG 27 HA ARG 27 -7.332 -20.968 30.926 197 HB2 ARG 27 HB2 ARG 27 -10.117 -21.367 29.799 198 HB3 ARG 27 HB1 ARG 27 -9.692 -21.669 31.481 199 HG2 ARG 27 HG2 ARG 27 -8.927 -19.348 31.725 200 HG3 ARG 27 HG1 ARG 27 -9.314 -19.033 30.033 201 HD2 ARG 27 HD2 ARG 27 -11.681 -19.565 30.475 202 HD3 ARG 27 HD1 ARG 27 -11.297 -19.888 32.162 203 HE ARG 27 HE ARG 27 -10.406 -17.291 31.525 204 HH11 ARG 27 HH11 ARG 27 -11.674 -15.513 32.155 205 HH12 ARG 27 HH12 ARG 27 -13.355 -15.738 32.506 206 HH21 ARG 27 HH21 ARG 27 -13.311 -19.143 31.858 207 HH22 ARG 27 HH22 ARG 27 -14.283 -17.792 32.338 208 H LEU 28 HN LEU 28 -8.398 -23.052 28.275 209 HA LEU 28 HA LEU 28 -8.408 -25.471 29.725 210 HB2 LEU 28 HB2 LEU 28 -9.455 -25.325 27.516 211 HB3 LEU 28 HB1 LEU 28 -7.891 -25.044 26.759 212 HG LEU 28 HG LEU 28 -7.119 -27.267 27.541 213 HD11 LEU 28 HD11 LEU 28 -8.304 -27.772 29.498 214 HD12 LEU 28 HD12 LEU 28 -9.117 -28.797 28.320 215 HD13 LEU 28 HD13 LEU 28 -9.852 -27.271 28.815 216 HD21 LEU 28 HD21 LEU 28 -8.188 -27.017 25.325 217 HD22 LEU 28 HD22 LEU 28 -9.764 -27.325 26.054 218 HD23 LEU 28 HD23 LEU 28 -8.541 -28.596 26.029 219 H LYS 29 HN LYS 29 -5.804 -23.723 28.067 220 HA LYS 29 HA LYS 29 -3.859 -25.756 28.248 221 HB2 LYS 29 HB2 LYS 29 -3.536 -23.794 26.805 222 HB3 LYS 29 HB1 LYS 29 -3.422 -22.747 28.218 223 HG2 LYS 29 HG2 LYS 29 -1.434 -23.981 28.989 224 HG3 LYS 29 HG1 LYS 29 -1.563 -25.063 27.600 225 HD2 LYS 29 HD2 LYS 29 -1.227 -23.177 26.071 226 HD3 LYS 29 HD1 LYS 29 -1.170 -22.060 27.434 227 HE2 LYS 29 HE2 LYS 29 1.107 -22.608 26.710 228 HE3 LYS 29 HE1 LYS 29 0.811 -23.269 28.316 229 HZ1 LYS 29 HZ1 LYS 29 1.879 -24.777 26.579 230 HZ2 LYS 29 HZ2 LYS 29 0.330 -24.877 25.888 231 HZ3 LYS 29 HZ3 LYS 29 0.589 -25.409 27.481 232 H SER 30 HN SER 30 -4.840 -23.241 30.566 233 HA SER 30 HA SER 30 -2.748 -23.655 32.418 234 HB2 SER 30 HB2 SER 30 -4.205 -22.532 34.029 235 HB3 SER 30 HB1 SER 30 -4.253 -21.697 32.479 236 HG SER 30 HG SER 30 -6.208 -23.117 33.813 237 H GLU 31 HN GLU 31 -5.808 -25.292 31.880 238 HA GLU 31 HA GLU 31 -5.891 -26.758 34.292 239 HB2 GLU 31 HB2 GLU 31 -7.094 -27.346 31.574 240 HB3 GLU 31 HB1 GLU 31 -7.374 -28.344 32.999 241 HG2 GLU 31 HG2 GLU 31 -8.332 -26.472 34.199 242 HG3 GLU 31 HG1 GLU 31 -7.912 -25.367 32.891 243 H ARG 32 HN ARG 32 -4.260 -27.362 31.215 244 HA ARG 32 HA ARG 32 -2.680 -28.933 30.602 245 HB2 ARG 32 HB2 ARG 32 -1.529 -27.979 32.599 246 HB3 ARG 32 HB1 ARG 32 -2.276 -29.232 33.588 247 HG2 ARG 32 HG2 ARG 32 -1.195 -30.975 32.242 248 HG3 ARG 32 HG1 ARG 32 -0.476 -29.743 31.203 249 HD2 ARG 32 HD2 ARG 32 0.726 -28.811 33.152 250 HD3 ARG 32 HD1 ARG 32 0.025 -30.059 34.177 251 HE ARG 32 HE ARG 32 2.186 -30.398 32.263 252 HH11 ARG 32 HH11 ARG 32 3.161 -32.449 32.275 253 HH12 ARG 32 HH12 ARG 32 2.393 -33.762 33.104 254 HH21 ARG 32 HH21 ARG 32 -0.312 -31.865 34.156 255 HH22 ARG 32 HH22 ARG 32 0.427 -33.432 34.169 256 H HIS 33 HN HIS 33 -3.684 -30.422 33.669 257 HA HIS 33 HA HIS 33 -4.302 -32.905 32.219 258 HB2 HIS 33 HB2 HIS 33 -2.828 -32.931 34.249 259 HB3 HIS 33 HB1 HIS 33 -4.217 -32.439 35.215 260 HD2 HIS 33 HD2 HIS 33 -2.763 -35.643 33.582 261 HE1 HIS 33 HE1 HIS 33 -6.539 -36.665 35.168 262 HE2 HIS 33 HE2 HIS 33 -4.408 -37.591 34.146 263 H ASP 34 HN ASP 34 -5.926 -32.501 35.207 264 HA ASP 34 HA ASP 34 -8.187 -32.535 35.715 265 HB2 ASP 34 HB2 ASP 34 -7.759 -30.121 35.098 266 HB3 ASP 34 HB1 ASP 34 -8.386 -30.497 33.493 267 H HIS 35 HN HIS 35 -7.512 -34.641 34.074 268 HA HIS 35 HA HIS 35 -9.607 -34.753 31.989 269 HB2 HIS 35 HB2 HIS 35 -7.288 -36.620 32.556 270 HB3 HIS 35 HB1 HIS 35 -8.446 -36.796 31.238 271 HD2 HIS 35 HD2 HIS 35 -5.107 -35.077 31.854 272 HE1 HIS 35 HE1 HIS 35 -6.814 -33.096 28.541 273 HE2 HIS 35 HE2 HIS 35 -4.688 -33.404 29.893 274 H ASP 36 HN ASP 36 -9.530 -35.211 35.150 275 HA ASP 36 HA ASP 36 -10.423 -37.861 35.552 276 HB2 ASP 36 HB2 ASP 36 -9.647 -36.418 37.411 277 HB3 ASP 36 HB1 ASP 36 -11.095 -35.429 37.241 278 H LYS 37 HN LYS 37 -12.145 -34.904 34.681 279 HA LYS 37 HA LYS 37 -14.762 -35.878 35.072 280 HB2 LYS 37 HB2 LYS 37 -13.702 -33.749 33.192 281 HB3 LYS 37 HB1 LYS 37 -15.415 -34.105 33.399 282 HG2 LYS 37 HG2 LYS 37 -15.233 -33.641 35.811 283 HG3 LYS 37 HG1 LYS 37 -13.515 -33.292 35.616 284 HD2 LYS 37 HD2 LYS 37 -14.057 -31.444 34.076 285 HD3 LYS 37 HD1 LYS 37 -15.778 -31.791 34.265 286 HE2 LYS 37 HE2 LYS 37 -15.614 -31.328 36.681 287 HE3 LYS 37 HE1 LYS 37 -13.892 -30.988 36.501 288 HZ1 LYS 37 HZ1 LYS 37 -16.076 -29.269 36.067 289 HZ2 LYS 37 HZ2 LYS 37 -15.243 -29.473 34.600 290 HZ3 LYS 37 HZ3 LYS 37 -14.418 -28.918 35.978 291 H LYS 38 HN LYS 38 -12.479 -36.246 32.413 292 HA LYS 38 HA LYS 38 -14.296 -37.220 30.488 293 HB2 LYS 38 HB2 LYS 38 -11.319 -37.685 30.815 294 HB3 LYS 38 HB1 LYS 38 -12.255 -38.282 29.446 295 HG2 LYS 38 HG2 LYS 38 -12.972 -35.988 28.919 296 HG3 LYS 38 HG1 LYS 38 -12.050 -35.379 30.294 297 HD2 LYS 38 HD2 LYS 38 -9.971 -36.244 29.291 298 HD3 LYS 38 HD1 LYS 38 -10.888 -36.858 27.914 299 HE2 LYS 38 HE2 LYS 38 -11.618 -34.567 27.371 300 HE3 LYS 38 HE1 LYS 38 -10.711 -33.948 28.750 301 HZ1 LYS 38 HZ1 LYS 38 -9.135 -33.693 27.175 302 HZ2 LYS 38 HZ2 LYS 38 -9.754 -34.921 26.177 303 HZ3 LYS 38 HZ3 LYS 38 -8.811 -35.319 27.534 304 H GLU 39 HN GLU 39 -12.552 -38.839 33.110 305 HA GLU 39 HA GLU 39 -13.121 -41.490 32.317 306 HB2 GLU 39 HB2 GLU 39 -12.540 -40.313 35.050 307 HB3 GLU 39 HB1 GLU 39 -12.746 -42.039 34.757 308 HG2 GLU 39 HG2 GLU 39 -10.893 -42.058 33.199 309 HG3 GLU 39 HG1 GLU 39 -10.747 -40.303 33.285 310 H ALA 40 HN ALA 40 -14.973 -39.118 34.162 311 HA ALA 40 HA ALA 40 -16.975 -40.884 35.115 312 HB1 ALA 40 HB1 ALA 40 -17.228 -37.925 34.499 313 HB2 ALA 40 HB2 ALA 40 -16.674 -38.606 36.030 314 HB3 ALA 40 HB3 ALA 40 -18.330 -38.878 35.490 315 H GLU 41 HN GLU 41 -16.338 -39.595 31.998 316 HA GLU 41 HA GLU 41 -18.934 -39.550 30.913 317 HB2 GLU 41 HB2 GLU 41 -16.999 -38.570 29.733 318 HB3 GLU 41 HB1 GLU 41 -16.347 -40.183 29.449 319 HG2 GLU 41 HG2 GLU 41 -18.345 -40.787 28.161 320 HG3 GLU 41 HG1 GLU 41 -19.050 -39.205 28.488 321 H ARG 42 HN ARG 42 -16.651 -42.235 31.344 322 HA ARG 42 HA ARG 42 -18.068 -44.121 29.793 323 HB2 ARG 42 HB2 ARG 42 -16.185 -44.503 32.140 324 HB3 ARG 42 HB1 ARG 42 -16.871 -45.837 31.213 325 HG2 ARG 42 HG2 ARG 42 -15.929 -44.750 29.130 326 HG3 ARG 42 HG1 ARG 42 -15.078 -43.623 30.186 327 HD2 ARG 42 HD2 ARG 42 -14.826 -46.640 30.316 328 HD3 ARG 42 HD1 ARG 42 -13.668 -45.573 29.526 329 HE ARG 42 HE ARG 42 -14.048 -45.914 32.401 330 HH11 ARG 42 HH11 ARG 42 -12.464 -44.921 33.685 331 HH12 ARG 42 HH12 ARG 42 -11.363 -43.789 32.975 332 HH21 ARG 42 HH21 ARG 42 -12.718 -44.062 29.795 333 HH22 ARG 42 HH22 ARG 42 -11.508 -43.301 30.773 334 H LYS 43 HN LYS 43 -18.427 -43.070 33.146 335 HA LYS 43 HA LYS 43 -20.225 -45.115 33.954 336 HB2 LYS 43 HB2 LYS 43 -19.669 -42.341 35.020 337 HB3 LYS 43 HB1 LYS 43 -20.900 -43.381 35.728 338 HG2 LYS 43 HG2 LYS 43 -18.604 -43.512 36.818 339 HG3 LYS 43 HG1 LYS 43 -19.297 -45.052 36.317 340 HD2 LYS 43 HD2 LYS 43 -17.897 -45.161 34.381 341 HD3 LYS 43 HD1 LYS 43 -17.395 -43.477 34.567 342 HE2 LYS 43 HE2 LYS 43 -16.787 -45.706 36.533 343 HE3 LYS 43 HE1 LYS 43 -15.647 -45.053 35.355 344 HZ1 LYS 43 HZ1 LYS 43 -15.213 -43.349 36.680 345 HZ2 LYS 43 HZ2 LYS 43 -16.131 -44.105 37.894 346 HZ3 LYS 43 HZ3 LYS 43 -16.858 -42.972 36.856 347 H ALA 44 HN ALA 44 -20.624 -42.261 32.047 348 HA ALA 44 HA ALA 44 -23.361 -41.745 32.476 349 HB1 ALA 44 HB1 ALA 44 -21.890 -40.189 31.240 350 HB2 ALA 44 HB2 ALA 44 -23.335 -40.592 30.317 351 HB3 ALA 44 HB3 ALA 44 -21.795 -41.344 29.909 352 H LEU 45 HN LEU 45 -21.771 -44.295 30.772 353 HA LEU 45 HA LEU 45 -23.857 -45.019 28.997 354 HB2 LEU 45 HB2 LEU 45 -21.634 -46.686 30.211 355 HB3 LEU 45 HB1 LEU 45 -22.729 -47.263 28.959 356 HG LEU 45 HG LEU 45 -20.987 -44.793 28.692 357 HD11 LEU 45 HD11 LEU 45 -19.590 -46.790 28.860 358 HD12 LEU 45 HD12 LEU 45 -19.607 -46.226 27.188 359 HD13 LEU 45 HD13 LEU 45 -20.583 -47.618 27.660 360 HD21 LEU 45 HD21 LEU 45 -21.540 -45.458 26.164 361 HD22 LEU 45 HD22 LEU 45 -22.662 -44.483 27.102 362 HD23 LEU 45 HD23 LEU 45 -22.954 -46.209 26.903 363 H GLU 46 HN GLU 46 -23.281 -45.686 32.394 364 HA GLU 46 HA GLU 46 -25.068 -47.843 32.694 365 HB2 GLU 46 HB2 GLU 46 -24.127 -45.757 34.679 366 HB3 GLU 46 HB1 GLU 46 -25.159 -47.119 35.116 367 HG2 GLU 46 HG2 GLU 46 -23.491 -48.704 34.378 368 HG3 GLU 46 HG1 GLU 46 -22.486 -47.410 33.723 369 H ASP 47 HN ASP 47 -25.609 -44.342 32.687 370 HA ASP 47 HA ASP 47 -27.571 -43.099 32.705 371 HB2 ASP 47 HB2 ASP 47 -28.533 -45.674 31.441 372 HB3 ASP 47 HB1 ASP 47 -29.511 -44.213 31.551 373 H LYS 48 HN LYS 48 -26.918 -44.475 35.146 374 HA LYS 48 HA LYS 48 -29.122 -45.848 36.247 375 HB2 LYS 48 HB2 LYS 48 -26.919 -45.912 37.324 376 HB3 LYS 48 HB1 LYS 48 -27.038 -44.194 37.703 377 HG2 LYS 48 HG2 LYS 48 -28.926 -44.563 39.149 378 HG3 LYS 48 HG1 LYS 48 -29.080 -46.235 38.614 379 HD2 LYS 48 HD2 LYS 48 -27.998 -46.308 40.752 380 HD3 LYS 48 HD1 LYS 48 -26.750 -46.632 39.552 381 HE2 LYS 48 HE2 LYS 48 -25.927 -44.362 39.696 382 HE3 LYS 48 HE1 LYS 48 -27.285 -43.884 40.714 383 HZ1 LYS 48 HZ1 LYS 48 -24.971 -44.548 41.725 384 HZ2 LYS 48 HZ2 LYS 48 -25.612 -46.116 41.597 385 HZ3 LYS 48 HZ3 LYS 48 -26.419 -44.936 42.515 386 H LEU 49 HN LEU 49 -28.382 -42.385 36.062 387 HA LEU 49 HA LEU 49 -30.476 -41.530 37.775 388 HB2 LEU 49 HB2 LEU 49 -29.046 -40.079 35.528 389 HB3 LEU 49 HB1 LEU 49 -30.170 -39.316 36.647 390 HG LEU 49 HG LEU 49 -27.669 -40.803 37.501 391 HD11 LEU 49 HD11 LEU 49 -27.072 -38.804 36.225 392 HD12 LEU 49 HD12 LEU 49 -26.752 -38.530 37.938 393 HD13 LEU 49 HD13 LEU 49 -28.186 -37.830 37.184 394 HD21 LEU 49 HD21 LEU 49 -29.018 -40.799 39.405 395 HD22 LEU 49 HD22 LEU 49 -29.853 -39.314 38.949 396 HD23 LEU 49 HD23 LEU 49 -28.216 -39.245 39.595 397 H ALA 50 HN ALA 50 -30.378 -42.483 34.419 398 HA ALA 50 HA ALA 50 -32.776 -41.265 33.555 399 HB1 ALA 50 HB1 ALA 50 -31.149 -42.283 31.985 400 HB2 ALA 50 HB2 ALA 50 -32.782 -42.900 31.740 401 HB3 ALA 50 HB3 ALA 50 -31.589 -43.884 32.583 402 H ASP 51 HN ASP 51 -32.172 -44.058 35.539 403 HA ASP 51 HA ASP 51 -34.628 -45.397 35.188 404 HB2 ASP 51 HB2 ASP 51 -32.718 -45.330 37.538 405 HB3 ASP 51 HB1 ASP 51 -34.167 -46.331 37.502 406 H TYR 52 HN TYR 52 -33.712 -42.677 37.260 407 HA TYR 52 HA TYR 52 -34.984 -41.306 38.632 408 HB2 TYR 52 HB2 TYR 52 -35.927 -40.668 36.476 409 HB3 TYR 52 HB1 TYR 52 -37.047 -42.027 36.535 410 HD1 TYR 52 HD1 TYR 52 -36.061 -38.895 38.309 411 HD2 TYR 52 HD2 TYR 52 -39.113 -41.855 37.692 412 HE1 TYR 52 HE1 TYR 52 -37.663 -37.515 39.604 413 HE2 TYR 52 HE2 TYR 52 -40.714 -40.474 38.987 414 HH TYR 52 HH TYR 52 -39.776 -37.281 40.257 Start of MODEL 16 1 H1 GLY 1 HT1 GLY 1 -13.332 15.838 17.384 2 H2 GLY 1 HT2 GLY 1 -14.326 16.934 16.550 3 H3 GLY 1 HT3 GLY 1 -12.916 17.481 17.324 4 HA2 GLY 1 HA2 GLY 1 -12.947 17.083 14.757 5 HA3 GLY 1 HA1 GLY 1 -11.525 16.681 15.721 6 H SER 2 HN SER 2 -13.203 15.522 13.277 7 HA SER 2 HA SER 2 -13.575 13.446 12.355 8 HB2 SER 2 HB2 SER 2 -11.459 12.664 14.373 9 HB3 SER 2 HB1 SER 2 -11.984 11.677 13.014 10 HG SER 2 HG SER 2 -11.428 13.666 11.744 11 H VAL 3 HN VAL 3 -15.243 14.286 14.609 12 HA VAL 3 HA VAL 3 -15.673 12.123 16.388 13 HB VAL 3 HB VAL 3 -17.477 14.413 15.559 14 HG11 VAL 3 HG11 VAL 3 -18.982 12.656 16.192 15 HG12 VAL 3 HG12 VAL 3 -18.804 13.684 17.613 16 HG13 VAL 3 HG13 VAL 3 -17.937 12.151 17.520 17 HG21 VAL 3 HG21 VAL 3 -16.166 13.809 18.221 18 HG22 VAL 3 HG22 VAL 3 -16.881 15.329 17.685 19 HG23 VAL 3 HG23 VAL 3 -15.367 14.769 16.979 20 H GLU 4 HN GLU 4 -17.081 12.915 13.220 21 HA GLU 4 HA GLU 4 -19.039 10.880 13.242 22 HB2 GLU 4 HB2 GLU 4 -17.679 12.276 10.918 23 HB3 GLU 4 HB1 GLU 4 -19.027 11.154 10.745 24 HG2 GLU 4 HG2 GLU 4 -19.121 13.611 12.510 25 HG3 GLU 4 HG1 GLU 4 -19.691 13.590 10.843 26 H LYS 5 HN LYS 5 -15.628 10.870 12.259 27 HA LYS 5 HA LYS 5 -15.641 8.328 11.016 28 HB2 LYS 5 HB2 LYS 5 -13.423 9.864 12.392 29 HB3 LYS 5 HB1 LYS 5 -13.172 8.347 11.528 30 HG2 LYS 5 HG2 LYS 5 -14.107 9.349 9.477 31 HG3 LYS 5 HG1 LYS 5 -14.353 10.871 10.334 32 HD2 LYS 5 HD2 LYS 5 -11.921 11.017 10.764 33 HD3 LYS 5 HD1 LYS 5 -11.681 9.508 9.882 34 HE2 LYS 5 HE2 LYS 5 -12.897 12.029 8.713 35 HE3 LYS 5 HE1 LYS 5 -11.238 11.494 8.456 36 HZ1 LYS 5 HZ1 LYS 5 -13.739 10.184 7.577 37 HZ2 LYS 5 HZ2 LYS 5 -12.259 9.352 7.630 38 HZ3 LYS 5 HZ3 LYS 5 -12.440 10.710 6.625 39 H LEU 6 HN LEU 6 -15.172 9.340 14.369 40 HA LEU 6 HA LEU 6 -14.436 6.808 15.390 41 HB2 LEU 6 HB2 LEU 6 -15.726 9.188 16.755 42 HB3 LEU 6 HB1 LEU 6 -15.185 7.746 17.608 43 HG LEU 6 HG LEU 6 -13.395 9.434 15.834 44 HD11 LEU 6 HD11 LEU 6 -12.441 10.205 18.051 45 HD12 LEU 6 HD12 LEU 6 -13.844 9.475 18.829 46 HD13 LEU 6 HD13 LEU 6 -14.059 10.807 17.693 47 HD21 LEU 6 HD21 LEU 6 -12.291 7.387 15.996 48 HD22 LEU 6 HD22 LEU 6 -12.997 6.999 17.564 49 HD23 LEU 6 HD23 LEU 6 -11.685 8.168 17.452 50 H THR 7 HN THR 7 -17.586 8.305 14.802 51 HA THR 7 HA THR 7 -19.132 6.404 16.208 52 HB THR 7 HB THR 7 -19.880 8.119 13.831 53 HG1 THR 7 HG1 THR 7 -20.026 8.437 16.634 54 HG21 THR 7 HG21 THR 7 -22.206 7.763 14.793 55 HG22 THR 7 HG22 THR 7 -21.510 6.468 15.766 56 HG23 THR 7 HG23 THR 7 -21.490 6.355 14.006 57 H ALA 8 HN ALA 8 -17.983 6.505 12.835 58 HA ALA 8 HA ALA 8 -19.405 4.140 12.060 59 HB1 ALA 8 HB1 ALA 8 -16.941 5.350 10.763 60 HB2 ALA 8 HB2 ALA 8 -18.602 5.830 10.406 61 HB3 ALA 8 HB3 ALA 8 -18.057 4.196 10.036 62 H ASP 9 HN ASP 9 -16.515 4.796 13.773 63 HA ASP 9 HA ASP 9 -15.240 2.249 13.256 64 HB2 ASP 9 HB2 ASP 9 -14.693 4.412 15.301 65 HB3 ASP 9 HB1 ASP 9 -13.751 2.932 15.175 66 H ALA 10 HN ALA 10 -17.738 3.343 15.286 67 HA ALA 10 HA ALA 10 -17.415 1.691 17.538 68 HB1 ALA 10 HB1 ALA 10 -19.930 1.921 17.786 69 HB2 ALA 10 HB2 ALA 10 -19.918 2.858 16.295 70 HB3 ALA 10 HB3 ALA 10 -19.028 3.431 17.705 71 H GLU 11 HN GLU 11 -18.861 0.984 14.368 72 HA GLU 11 HA GLU 11 -20.099 -1.446 15.062 73 HB2 GLU 11 HB2 GLU 11 -20.184 -1.950 12.729 74 HB3 GLU 11 HB1 GLU 11 -20.380 -0.207 12.869 75 HG2 GLU 11 HG2 GLU 11 -17.875 -0.003 12.457 76 HG3 GLU 11 HG1 GLU 11 -17.876 -1.721 12.076 77 H LEU 12 HN LEU 12 -16.763 -0.647 14.563 78 HA LEU 12 HA LEU 12 -15.892 -3.391 14.216 79 HB2 LEU 12 HB2 LEU 12 -14.315 -0.864 14.778 80 HB3 LEU 12 HB1 LEU 12 -13.607 -2.438 14.427 81 HG LEU 12 HG LEU 12 -15.478 -0.938 12.562 82 HD11 LEU 12 HD11 LEU 12 -13.441 -0.533 11.221 83 HD12 LEU 12 HD12 LEU 12 -12.469 -1.293 12.480 84 HD13 LEU 12 HD13 LEU 12 -13.320 0.213 12.814 85 HD21 LEU 12 HD21 LEU 12 -14.312 -2.699 10.955 86 HD22 LEU 12 HD22 LEU 12 -15.697 -3.179 11.927 87 HD23 LEU 12 HD23 LEU 12 -14.066 -3.600 12.451 88 H GLN 13 HN GLN 13 -16.720 -1.369 16.827 89 HA GLN 13 HA GLN 13 -14.997 -2.375 18.829 90 HB2 GLN 13 HB2 GLN 13 -16.354 -0.324 19.142 91 HB3 GLN 13 HB1 GLN 13 -17.815 -1.309 19.213 92 HG2 GLN 13 HG2 GLN 13 -16.948 -2.501 21.167 93 HG3 GLN 13 HG1 GLN 13 -15.441 -1.591 21.076 94 HE21 GLN 13 HE21 GLN 13 -16.645 -1.273 23.462 95 HE22 GLN 13 HE22 GLN 13 -17.475 0.203 23.571 96 H ARG 14 HN ARG 14 -18.084 -3.559 17.560 97 HA ARG 14 HA ARG 14 -18.540 -5.517 19.541 98 HB2 ARG 14 HB2 ARG 14 -19.448 -5.366 16.654 99 HB3 ARG 14 HB1 ARG 14 -19.956 -6.634 17.770 100 HG2 ARG 14 HG2 ARG 14 -20.872 -4.951 19.300 101 HG3 ARG 14 HG1 ARG 14 -20.325 -3.660 18.231 102 HD2 ARG 14 HD2 ARG 14 -21.772 -4.511 16.438 103 HD3 ARG 14 HD1 ARG 14 -22.298 -5.833 17.475 104 HE ARG 14 HE ARG 14 -23.676 -4.337 18.618 105 HH11 ARG 14 HH11 ARG 14 -24.681 -2.314 18.858 106 HH12 ARG 14 HH12 ARG 14 -24.040 -0.932 18.033 107 HH21 ARG 14 HH21 ARG 14 -21.448 -2.691 16.545 108 HH22 ARG 14 HH22 ARG 14 -22.210 -1.145 16.724 109 H LEU 15 HN LEU 15 -16.599 -5.559 16.584 110 HA LEU 15 HA LEU 15 -16.125 -8.339 16.526 111 HB2 LEU 15 HB2 LEU 15 -15.615 -6.937 14.584 112 HB3 LEU 15 HB1 LEU 15 -14.357 -6.095 15.484 113 HG LEU 15 HG LEU 15 -13.120 -8.229 15.739 114 HD11 LEU 15 HD11 LEU 15 -15.552 -9.294 14.308 115 HD12 LEU 15 HD12 LEU 15 -14.698 -9.964 15.698 116 HD13 LEU 15 HD13 LEU 15 -13.991 -10.090 14.091 117 HD21 LEU 15 HD21 LEU 15 -12.619 -8.524 13.258 118 HD22 LEU 15 HD22 LEU 15 -12.501 -6.872 13.864 119 HD23 LEU 15 HD23 LEU 15 -13.921 -7.376 12.947 120 H LYS 16 HN LYS 16 -14.483 -5.705 18.243 121 HA LYS 16 HA LYS 16 -12.284 -7.215 19.159 122 HB2 LYS 16 HB2 LYS 16 -12.307 -4.759 19.296 123 HB3 LYS 16 HB1 LYS 16 -13.592 -4.822 20.502 124 HG2 LYS 16 HG2 LYS 16 -12.122 -6.077 22.024 125 HG3 LYS 16 HG1 LYS 16 -10.841 -6.060 20.811 126 HD2 LYS 16 HD2 LYS 16 -10.766 -3.611 20.893 127 HD3 LYS 16 HD1 LYS 16 -12.092 -3.596 22.057 128 HE2 LYS 16 HE2 LYS 16 -9.951 -3.357 23.227 129 HE3 LYS 16 HE1 LYS 16 -10.695 -4.902 23.639 130 HZ1 LYS 16 HZ1 LYS 16 -8.199 -4.425 22.438 131 HZ2 LYS 16 HZ2 LYS 16 -9.168 -5.296 21.347 132 HZ3 LYS 16 HZ3 LYS 16 -8.882 -5.905 22.908 133 H ASN 17 HN ASN 17 -15.560 -6.803 20.458 134 HA ASN 17 HA ASN 17 -15.105 -8.068 22.938 135 HB2 ASN 17 HB2 ASN 17 -17.629 -7.750 21.295 136 HB3 ASN 17 HB1 ASN 17 -17.602 -8.512 22.884 137 HD21 ASN 17 HD21 ASN 17 -19.003 -6.031 22.331 138 HD22 ASN 17 HD22 ASN 17 -18.253 -4.812 23.241 139 H GLU 18 HN GLU 18 -15.868 -9.366 19.736 140 HA GLU 18 HA GLU 18 -16.427 -12.010 20.561 141 HB2 GLU 18 HB2 GLU 18 -15.383 -10.956 17.915 142 HB3 GLU 18 HB1 GLU 18 -15.875 -12.626 18.192 143 HG2 GLU 18 HG2 GLU 18 -17.677 -10.251 18.716 144 HG3 GLU 18 HG1 GLU 18 -17.674 -11.156 17.203 145 H ALA 19 HN ALA 19 -13.409 -10.319 19.887 146 HA ALA 19 HA ALA 19 -11.716 -12.577 19.766 147 HB1 ALA 19 HB1 ALA 19 -9.881 -11.024 20.279 148 HB2 ALA 19 HB2 ALA 19 -11.044 -9.782 20.736 149 HB3 ALA 19 HB3 ALA 19 -10.958 -10.341 19.064 150 H ALA 20 HN ALA 20 -13.295 -11.018 22.420 151 HA ALA 20 HA ALA 20 -11.574 -11.786 24.523 152 HB1 ALA 20 HB1 ALA 20 -13.518 -11.508 26.007 153 HB2 ALA 20 HB2 ALA 20 -14.589 -11.432 24.609 154 HB3 ALA 20 HB3 ALA 20 -13.390 -10.165 24.872 155 H GLU 21 HN GLU 21 -13.889 -13.587 22.640 156 HA GLU 21 HA GLU 21 -14.291 -15.747 24.418 157 HB2 GLU 21 HB2 GLU 21 -14.438 -15.637 21.390 158 HB3 GLU 21 HB1 GLU 21 -14.917 -17.033 22.354 159 HG2 GLU 21 HG2 GLU 21 -16.048 -14.258 22.772 160 HG3 GLU 21 HG1 GLU 21 -16.811 -15.474 21.749 161 H GLU 22 HN GLU 22 -11.737 -15.033 22.086 162 HA GLU 22 HA GLU 22 -10.527 -17.583 22.074 163 HB2 GLU 22 HB2 GLU 22 -9.370 -14.831 21.552 164 HB3 GLU 22 HB1 GLU 22 -8.452 -16.324 21.363 165 HG2 GLU 22 HG2 GLU 22 -10.014 -17.148 19.707 166 HG3 GLU 22 HG1 GLU 22 -11.090 -15.777 19.979 167 H ALA 23 HN ALA 23 -10.244 -14.846 24.287 168 HA ALA 23 HA ALA 23 -7.949 -15.710 25.679 169 HB1 ALA 23 HB1 ALA 23 -10.288 -14.082 26.721 170 HB2 ALA 23 HB2 ALA 23 -8.822 -13.443 25.973 171 HB3 ALA 23 HB3 ALA 23 -8.732 -14.269 27.527 172 H GLU 24 HN GLU 24 -11.266 -16.783 25.804 173 HA GLU 24 HA GLU 24 -11.184 -18.029 28.353 174 HB2 GLU 24 HB2 GLU 24 -12.876 -18.674 25.920 175 HB3 GLU 24 HB1 GLU 24 -13.132 -19.338 27.532 176 HG2 GLU 24 HG2 GLU 24 -13.093 -16.371 26.924 177 HG3 GLU 24 HG1 GLU 24 -14.565 -17.335 27.017 178 H LEU 25 HN LEU 25 -9.956 -18.923 25.232 179 HA LEU 25 HA LEU 25 -9.736 -21.725 25.662 180 HB2 LEU 25 HB2 LEU 25 -8.142 -19.884 23.854 181 HB3 LEU 25 HB1 LEU 25 -8.069 -21.643 23.810 182 HG LEU 25 HG LEU 25 -10.605 -20.026 23.414 183 HD11 LEU 25 HD11 LEU 25 -8.729 -21.332 21.423 184 HD12 LEU 25 HD12 LEU 25 -9.099 -19.613 21.562 185 HD13 LEU 25 HD13 LEU 25 -10.340 -20.742 21.019 186 HD21 LEU 25 HD21 LEU 25 -9.949 -22.967 23.433 187 HD22 LEU 25 HD22 LEU 25 -11.208 -22.387 22.345 188 HD23 LEU 25 HD23 LEU 25 -11.363 -22.133 24.078 189 H GLU 26 HN GLU 26 -7.860 -18.992 26.698 190 HA GLU 26 HA GLU 26 -5.414 -20.292 27.219 191 HB2 GLU 26 HB2 GLU 26 -6.665 -17.843 28.488 192 HB3 GLU 26 HB1 GLU 26 -5.046 -18.420 28.876 193 HG2 GLU 26 HG2 GLU 26 -4.340 -18.176 26.575 194 HG3 GLU 26 HG1 GLU 26 -5.981 -17.784 26.067 195 H ARG 27 HN ARG 27 -8.387 -20.042 29.127 196 HA ARG 27 HA ARG 27 -7.327 -21.018 31.553 197 HB2 ARG 27 HB2 ARG 27 -10.146 -21.119 30.444 198 HB3 ARG 27 HB1 ARG 27 -9.713 -21.669 32.062 199 HG2 ARG 27 HG2 ARG 27 -8.841 -19.453 32.618 200 HG3 ARG 27 HG1 ARG 27 -9.179 -18.888 30.981 201 HD2 ARG 27 HD2 ARG 27 -10.973 -18.181 32.490 202 HD3 ARG 27 HD1 ARG 27 -11.588 -19.356 31.332 203 HE ARG 27 HE ARG 27 -11.908 -20.860 33.087 204 HH11 ARG 27 HH11 ARG 27 -11.973 -21.388 35.295 205 HH12 ARG 27 HH12 ARG 27 -11.157 -20.382 36.446 206 HH21 ARG 27 HH21 ARG 27 -9.985 -18.152 34.063 207 HH22 ARG 27 HH22 ARG 27 -10.032 -18.550 35.748 208 H LEU 28 HN LEU 28 -8.553 -22.688 28.682 209 HA LEU 28 HA LEU 28 -8.638 -25.277 29.816 210 HB2 LEU 28 HB2 LEU 28 -8.353 -24.345 26.949 211 HB3 LEU 28 HB1 LEU 28 -8.398 -26.049 27.393 212 HG LEU 28 HG LEU 28 -10.576 -25.713 28.494 213 HD11 LEU 28 HD11 LEU 28 -11.713 -23.439 27.891 214 HD12 LEU 28 HD12 LEU 28 -10.064 -22.848 27.695 215 HD13 LEU 28 HD13 LEU 28 -10.596 -23.485 29.251 216 HD21 LEU 28 HD21 LEU 28 -11.891 -25.252 26.426 217 HD22 LEU 28 HD22 LEU 28 -10.545 -26.355 26.130 218 HD23 LEU 28 HD23 LEU 28 -10.420 -24.662 25.650 219 H LYS 29 HN LYS 29 -6.032 -23.409 28.348 220 HA LYS 29 HA LYS 29 -4.143 -25.482 28.072 221 HB2 LYS 29 HB2 LYS 29 -3.862 -23.250 27.035 222 HB3 LYS 29 HB1 LYS 29 -3.595 -22.549 28.632 223 HG2 LYS 29 HG2 LYS 29 -1.629 -23.995 28.949 224 HG3 LYS 29 HG1 LYS 29 -1.906 -24.730 27.372 225 HD2 LYS 29 HD2 LYS 29 -1.608 -22.533 26.291 226 HD3 LYS 29 HD1 LYS 29 -1.334 -21.794 27.869 227 HE2 LYS 29 HE2 LYS 29 0.634 -23.236 28.214 228 HE3 LYS 29 HE1 LYS 29 0.360 -23.991 26.642 229 HZ1 LYS 29 HZ1 LYS 29 0.356 -21.325 26.103 230 HZ2 LYS 29 HZ2 LYS 29 1.653 -22.390 25.838 231 HZ3 LYS 29 HZ3 LYS 29 1.578 -21.477 27.268 232 H SER 30 HN SER 30 -5.165 -23.647 30.871 233 HA SER 30 HA SER 30 -2.986 -24.086 32.574 234 HB2 SER 30 HB2 SER 30 -5.928 -23.872 33.240 235 HB3 SER 30 HB1 SER 30 -4.625 -23.802 34.421 236 HG SER 30 HG SER 30 -4.415 -22.142 32.199 237 H GLU 31 HN GLU 31 -5.222 -26.330 31.293 238 HA GLU 31 HA GLU 31 -5.382 -28.223 33.366 239 HB2 GLU 31 HB2 GLU 31 -6.033 -29.816 31.685 240 HB3 GLU 31 HB1 GLU 31 -6.727 -28.260 31.235 241 HG2 GLU 31 HG2 GLU 31 -4.681 -27.906 29.759 242 HG3 GLU 31 HG1 GLU 31 -4.269 -29.589 30.069 243 H ARG 32 HN ARG 32 -2.726 -27.297 31.388 244 HA ARG 32 HA ARG 32 -1.236 -29.654 31.239 245 HB2 ARG 32 HB2 ARG 32 0.730 -28.235 31.010 246 HB3 ARG 32 HB1 ARG 32 -0.611 -27.525 30.114 247 HG2 ARG 32 HG2 ARG 32 -1.081 -26.057 32.096 248 HG3 ARG 32 HG1 ARG 32 0.373 -26.695 32.862 249 HD2 ARG 32 HD2 ARG 32 1.723 -25.900 30.952 250 HD3 ARG 32 HD1 ARG 32 0.271 -25.230 30.213 251 HE ARG 32 HE ARG 32 1.736 -24.128 32.468 252 HH11 ARG 32 HH11 ARG 32 0.976 -22.121 33.223 253 HH12 ARG 32 HH12 ARG 32 -0.560 -21.526 32.686 254 HH21 ARG 32 HH21 ARG 32 -1.221 -24.274 30.681 255 HH22 ARG 32 HH22 ARG 32 -1.803 -22.745 31.247 256 H HIS 33 HN HIS 33 -0.038 -30.818 32.635 257 HA HIS 33 HA HIS 33 -0.198 -30.124 35.477 258 HB2 HIS 33 HB2 HIS 33 0.570 -32.417 35.850 259 HB3 HIS 33 HB1 HIS 33 -0.810 -32.400 34.751 260 HD2 HIS 33 HD2 HIS 33 2.876 -33.554 34.771 261 HE1 HIS 33 HE1 HIS 33 1.533 -33.843 30.779 262 HE2 HIS 33 HE2 HIS 33 3.415 -34.440 32.375 263 H ASP 34 HN ASP 34 1.997 -29.849 32.908 264 HA ASP 34 HA ASP 34 4.449 -30.309 34.219 265 HB2 ASP 34 HB2 ASP 34 3.765 -28.584 31.827 266 HB3 ASP 34 HB1 ASP 34 5.408 -28.795 32.422 267 H HIS 35 HN HIS 35 2.423 -27.398 34.041 268 HA HIS 35 HA HIS 35 2.570 -25.373 35.160 269 HB2 HIS 35 HB2 HIS 35 4.097 -27.083 37.145 270 HB3 HIS 35 HB1 HIS 35 3.473 -25.465 37.460 271 HD2 HIS 35 HD2 HIS 35 0.648 -25.316 37.783 272 HE1 HIS 35 HE1 HIS 35 -0.004 -29.485 37.710 273 HE2 HIS 35 HE2 HIS 35 -1.076 -27.234 38.188 274 H ASP 36 HN ASP 36 4.644 -26.068 33.193 275 HA ASP 36 HA ASP 36 7.087 -24.838 34.275 276 HB2 ASP 36 HB2 ASP 36 6.456 -26.110 31.601 277 HB3 ASP 36 HB1 ASP 36 7.994 -25.344 31.985 278 H LYS 37 HN LYS 37 4.230 -23.778 32.965 279 HA LYS 37 HA LYS 37 5.359 -21.620 31.344 280 HB2 LYS 37 HB2 LYS 37 2.486 -22.155 32.137 281 HB3 LYS 37 HB1 LYS 37 3.035 -21.019 30.910 282 HG2 LYS 37 HG2 LYS 37 3.540 -24.008 30.792 283 HG3 LYS 37 HG1 LYS 37 2.197 -23.208 29.982 284 HD2 LYS 37 HD2 LYS 37 3.898 -21.764 28.783 285 HD3 LYS 37 HD1 LYS 37 5.155 -22.798 29.460 286 HE2 LYS 37 HE2 LYS 37 4.124 -24.769 28.409 287 HE3 LYS 37 HE1 LYS 37 2.868 -23.742 27.719 288 HZ1 LYS 37 HZ1 LYS 37 5.082 -24.350 26.424 289 HZ2 LYS 37 HZ2 LYS 37 5.631 -22.957 27.227 290 HZ3 LYS 37 HZ3 LYS 37 4.277 -22.873 26.203 291 H LYS 38 HN LYS 38 4.650 -22.196 34.595 292 HA LYS 38 HA LYS 38 3.710 -19.679 35.445 293 HB2 LYS 38 HB2 LYS 38 4.456 -20.335 37.666 294 HB3 LYS 38 HB1 LYS 38 3.717 -21.721 36.867 295 HG2 LYS 38 HG2 LYS 38 5.990 -22.514 36.211 296 HG3 LYS 38 HG1 LYS 38 6.694 -21.170 37.108 297 HD2 LYS 38 HD2 LYS 38 5.564 -21.987 39.169 298 HD3 LYS 38 HD1 LYS 38 4.971 -23.379 38.262 299 HE2 LYS 38 HE2 LYS 38 7.893 -22.657 38.630 300 HE3 LYS 38 HE1 LYS 38 7.042 -23.923 39.513 301 HZ1 LYS 38 HZ1 LYS 38 7.482 -23.799 36.581 302 HZ2 LYS 38 HZ2 LYS 38 6.532 -24.971 37.362 303 HZ3 LYS 38 HZ3 LYS 38 8.201 -24.885 37.667 304 H GLU 39 HN GLU 39 6.815 -20.762 34.393 305 HA GLU 39 HA GLU 39 8.441 -18.833 35.667 306 HB2 GLU 39 HB2 GLU 39 8.825 -20.348 33.070 307 HB3 GLU 39 HB1 GLU 39 10.039 -19.269 33.755 308 HG2 GLU 39 HG2 GLU 39 10.162 -20.592 35.778 309 HG3 GLU 39 HG1 GLU 39 8.815 -21.600 35.252 310 H ALA 40 HN ALA 40 6.506 -18.717 32.716 311 HA ALA 40 HA ALA 40 7.548 -16.292 31.690 312 HB1 ALA 40 HB1 ALA 40 4.754 -17.425 31.347 313 HB2 ALA 40 HB2 ALA 40 6.146 -17.797 30.326 314 HB3 ALA 40 HB3 ALA 40 5.490 -16.161 30.362 315 H GLU 41 HN GLU 41 5.439 -16.967 34.333 316 HA GLU 41 HA GLU 41 4.014 -14.536 34.454 317 HB2 GLU 41 HB2 GLU 41 3.390 -16.495 35.825 318 HB3 GLU 41 HB1 GLU 41 4.849 -16.290 36.790 319 HG2 GLU 41 HG2 GLU 41 4.108 -14.060 37.483 320 HG3 GLU 41 HG1 GLU 41 2.670 -14.209 36.473 321 H ARG 42 HN ARG 42 7.245 -15.418 35.602 322 HA ARG 42 HA ARG 42 7.718 -13.117 37.156 323 HB2 ARG 42 HB2 ARG 42 9.200 -15.070 37.280 324 HB3 ARG 42 HB1 ARG 42 9.752 -14.782 35.631 325 HG2 ARG 42 HG2 ARG 42 10.692 -12.636 36.261 326 HG3 ARG 42 HG1 ARG 42 10.008 -12.771 37.881 327 HD2 ARG 42 HD2 ARG 42 11.399 -14.732 38.335 328 HD3 ARG 42 HD1 ARG 42 12.041 -14.681 36.695 329 HE ARG 42 HE ARG 42 12.563 -12.188 37.810 330 HH11 ARG 42 HH11 ARG 42 14.575 -11.746 38.763 331 HH12 ARG 42 HH12 ARG 42 15.557 -13.048 39.349 332 HH21 ARG 42 HH21 ARG 42 13.296 -15.513 38.433 333 HH22 ARG 42 HH22 ARG 42 14.832 -15.181 39.162 334 H LYS 43 HN LYS 43 8.070 -13.717 33.684 335 HA LYS 43 HA LYS 43 9.433 -11.332 33.034 336 HB2 LYS 43 HB2 LYS 43 9.289 -13.213 31.457 337 HB3 LYS 43 HB1 LYS 43 7.556 -12.950 31.277 338 HG2 LYS 43 HG2 LYS 43 7.976 -10.693 30.390 339 HG3 LYS 43 HG1 LYS 43 9.710 -10.923 30.608 340 HD2 LYS 43 HD2 LYS 43 9.684 -12.798 29.026 341 HD3 LYS 43 HD1 LYS 43 7.937 -12.635 28.841 342 HE2 LYS 43 HE2 LYS 43 9.081 -11.523 26.978 343 HE3 LYS 43 HE1 LYS 43 8.262 -10.328 27.982 344 HZ1 LYS 43 HZ1 LYS 43 11.003 -10.974 28.709 345 HZ2 LYS 43 HZ2 LYS 43 10.200 -9.477 28.715 346 HZ3 LYS 43 HZ3 LYS 43 10.799 -10.116 27.260 347 H ALA 44 HN ALA 44 5.995 -12.028 33.440 348 HA ALA 44 HA ALA 44 4.938 -9.682 32.315 349 HB1 ALA 44 HB1 ALA 44 3.858 -11.277 34.655 350 HB2 ALA 44 HB2 ALA 44 3.516 -11.584 32.950 351 HB3 ALA 44 HB3 ALA 44 2.953 -10.097 33.709 352 H LEU 45 HN LEU 45 6.836 -10.077 35.087 353 HA LEU 45 HA LEU 45 5.848 -8.106 36.804 354 HB2 LEU 45 HB2 LEU 45 7.570 -9.685 37.529 355 HB3 LEU 45 HB1 LEU 45 8.736 -8.967 36.422 356 HG LEU 45 HG LEU 45 8.556 -6.813 37.635 357 HD11 LEU 45 HD11 LEU 45 6.406 -6.719 38.570 358 HD12 LEU 45 HD12 LEU 45 7.397 -7.079 39.982 359 HD13 LEU 45 HD13 LEU 45 6.492 -8.369 39.189 360 HD21 LEU 45 HD21 LEU 45 9.141 -9.244 39.353 361 HD22 LEU 45 HD22 LEU 45 9.639 -7.598 39.745 362 HD23 LEU 45 HD23 LEU 45 10.285 -8.397 38.312 363 H GLU 46 HN GLU 46 7.972 -7.766 33.964 364 HA GLU 46 HA GLU 46 8.706 -5.081 34.431 365 HB2 GLU 46 HB2 GLU 46 9.373 -4.982 32.129 366 HB3 GLU 46 HB1 GLU 46 9.764 -6.594 32.717 367 HG2 GLU 46 HG2 GLU 46 7.592 -7.403 31.737 368 HG3 GLU 46 HG1 GLU 46 7.371 -5.806 31.028 369 H ASP 47 HN ASP 47 5.680 -6.373 33.909 370 HA ASP 47 HA ASP 47 3.609 -5.448 33.420 371 HB2 ASP 47 HB2 ASP 47 4.470 -3.853 35.187 372 HB3 ASP 47 HB1 ASP 47 4.981 -2.793 33.873 373 H LYS 48 HN LYS 48 5.314 -6.009 31.192 374 HA LYS 48 HA LYS 48 5.519 -5.555 28.925 375 HB2 LYS 48 HB2 LYS 48 2.959 -4.041 29.504 376 HB3 LYS 48 HB1 LYS 48 3.558 -4.444 27.895 377 HG2 LYS 48 HG2 LYS 48 3.484 -6.845 28.466 378 HG3 LYS 48 HG1 LYS 48 2.877 -6.443 30.072 379 HD2 LYS 48 HD2 LYS 48 0.893 -5.377 29.059 380 HD3 LYS 48 HD1 LYS 48 1.496 -5.789 27.452 381 HE2 LYS 48 HE2 LYS 48 1.413 -8.185 28.027 382 HE3 LYS 48 HE1 LYS 48 0.819 -7.781 29.637 383 HZ1 LYS 48 HZ1 LYS 48 -0.547 -7.065 27.099 384 HZ2 LYS 48 HZ2 LYS 48 -1.131 -6.797 28.671 385 HZ3 LYS 48 HZ3 LYS 48 -0.965 -8.383 28.083 386 H LEU 49 HN LEU 49 6.971 -3.826 30.714 387 HA LEU 49 HA LEU 49 8.149 -1.827 30.696 388 HB2 LEU 49 HB2 LEU 49 7.317 -1.784 27.782 389 HB3 LEU 49 HB1 LEU 49 8.665 -0.908 28.505 390 HG LEU 49 HG LEU 49 8.387 -3.928 28.408 391 HD11 LEU 49 HD11 LEU 49 10.402 -3.679 26.871 392 HD12 LEU 49 HD12 LEU 49 10.033 -1.956 26.808 393 HD13 LEU 49 HD13 LEU 49 8.865 -3.128 26.201 394 HD21 LEU 49 HD21 LEU 49 10.410 -2.049 29.631 395 HD22 LEU 49 HD22 LEU 49 10.921 -3.637 29.060 396 HD23 LEU 49 HD23 LEU 49 9.694 -3.509 30.317 397 H ALA 50 HN ALA 50 5.231 -1.822 31.252 398 HA ALA 50 HA ALA 50 4.021 0.472 30.103 399 HB1 ALA 50 HB1 ALA 50 2.691 -1.233 31.280 400 HB2 ALA 50 HB2 ALA 50 2.434 0.363 31.982 401 HB3 ALA 50 HB3 ALA 50 3.472 -0.800 32.803 402 H ASP 51 HN ASP 51 6.435 0.093 32.527 403 HA ASP 51 HA ASP 51 6.021 2.715 33.718 404 HB2 ASP 51 HB2 ASP 51 7.934 2.162 35.102 405 HB3 ASP 51 HB1 ASP 51 6.842 0.779 35.050 406 H TYR 52 HN TYR 52 7.039 1.905 30.799 407 HA TYR 52 HA TYR 52 9.516 2.753 30.167 408 HB2 TYR 52 HB2 TYR 52 8.667 3.631 28.067 409 HB3 TYR 52 HB1 TYR 52 7.756 2.183 28.494 410 HD1 TYR 52 HD1 TYR 52 7.656 5.839 28.166 411 HD2 TYR 52 HD2 TYR 52 5.433 2.345 29.302 412 HE1 TYR 52 HE1 TYR 52 5.556 7.157 28.112 413 HE2 TYR 52 HE2 TYR 52 3.334 3.662 29.248 414 HH TYR 52 HH TYR 52 2.484 5.762 29.168 Start of MODEL 17 1 H1 GLY 1 HT1 GLY 1 -28.516 17.497 14.752 2 H2 GLY 1 HT2 GLY 1 -27.927 17.740 16.326 3 H3 GLY 1 HT3 GLY 1 -28.946 16.422 15.991 4 HA2 GLY 1 HA2 GLY 1 -26.651 16.411 14.301 5 HA3 GLY 1 HA1 GLY 1 -26.209 16.396 16.009 6 H SER 2 HN SER 2 -27.186 14.510 13.407 7 HA SER 2 HA SER 2 -28.690 12.480 14.702 8 HB2 SER 2 HB2 SER 2 -28.362 11.207 12.710 9 HB3 SER 2 HB1 SER 2 -28.483 12.888 12.202 10 HG SER 2 HG SER 2 -26.624 12.509 11.301 11 H VAL 3 HN VAL 3 -25.366 13.297 14.674 12 HA VAL 3 HA VAL 3 -23.428 12.140 15.310 13 HB VAL 3 HB VAL 3 -23.594 11.468 17.701 14 HG11 VAL 3 HG11 VAL 3 -23.380 13.884 16.853 15 HG12 VAL 3 HG12 VAL 3 -23.934 13.672 18.512 16 HG13 VAL 3 HG13 VAL 3 -25.092 14.052 17.238 17 HG21 VAL 3 HG21 VAL 3 -25.967 10.582 17.478 18 HG22 VAL 3 HG22 VAL 3 -26.510 12.262 17.463 19 HG23 VAL 3 HG23 VAL 3 -25.686 11.614 18.879 20 H GLU 4 HN GLU 4 -25.059 10.424 13.615 21 HA GLU 4 HA GLU 4 -25.362 7.852 14.755 22 HB2 GLU 4 HB2 GLU 4 -24.999 8.714 11.872 23 HB3 GLU 4 HB1 GLU 4 -25.268 7.040 12.356 24 HG2 GLU 4 HG2 GLU 4 -27.385 7.594 13.360 25 HG3 GLU 4 HG1 GLU 4 -27.096 9.316 13.139 26 H LYS 5 HN LYS 5 -22.595 9.453 13.236 27 HA LYS 5 HA LYS 5 -20.946 7.191 12.965 28 HB2 LYS 5 HB2 LYS 5 -20.382 9.341 11.916 29 HB3 LYS 5 HB1 LYS 5 -20.148 10.069 13.504 30 HG2 LYS 5 HG2 LYS 5 -17.991 9.451 12.503 31 HG3 LYS 5 HG1 LYS 5 -18.289 8.498 13.952 32 HD2 LYS 5 HD2 LYS 5 -18.768 6.543 12.722 33 HD3 LYS 5 HD1 LYS 5 -19.086 7.443 11.237 34 HE2 LYS 5 HE2 LYS 5 -16.908 6.300 11.115 35 HE3 LYS 5 HE1 LYS 5 -16.687 8.049 11.113 36 HZ1 LYS 5 HZ1 LYS 5 -16.575 7.645 13.690 37 HZ2 LYS 5 HZ2 LYS 5 -15.200 7.463 12.709 38 HZ3 LYS 5 HZ3 LYS 5 -16.080 6.098 13.206 39 H LEU 6 HN LEU 6 -21.369 9.461 15.656 40 HA LEU 6 HA LEU 6 -19.411 8.312 17.337 41 HB2 LEU 6 HB2 LEU 6 -20.291 10.555 17.782 42 HB3 LEU 6 HB1 LEU 6 -21.886 9.892 18.125 43 HG LEU 6 HG LEU 6 -20.939 8.608 20.020 44 HD11 LEU 6 HD11 LEU 6 -18.688 8.182 19.534 45 HD12 LEU 6 HD12 LEU 6 -18.548 9.479 20.715 46 HD13 LEU 6 HD13 LEU 6 -18.382 9.834 18.995 47 HD21 LEU 6 HD21 LEU 6 -21.858 10.854 20.409 48 HD22 LEU 6 HD22 LEU 6 -20.289 11.572 20.038 49 HD23 LEU 6 HD23 LEU 6 -20.481 10.566 21.474 50 H THR 7 HN THR 7 -22.847 7.585 16.868 51 HA THR 7 HA THR 7 -23.057 5.743 19.042 52 HB THR 7 HB THR 7 -25.070 4.950 17.849 53 HG1 THR 7 HG1 THR 7 -25.326 5.405 15.836 54 HG21 THR 7 HG21 THR 7 -25.157 7.952 17.763 55 HG22 THR 7 HG22 THR 7 -24.883 7.145 19.306 56 HG23 THR 7 HG23 THR 7 -26.354 6.825 18.391 57 H ALA 8 HN ALA 8 -22.039 5.491 15.693 58 HA ALA 8 HA ALA 8 -22.235 2.699 15.363 59 HB1 ALA 8 HB1 ALA 8 -20.215 4.588 14.114 60 HB2 ALA 8 HB2 ALA 8 -21.815 4.213 13.464 61 HB3 ALA 8 HB3 ALA 8 -20.583 2.956 13.557 62 H ASP 9 HN ASP 9 -20.153 4.592 17.260 63 HA ASP 9 HA ASP 9 -17.845 2.968 17.337 64 HB2 ASP 9 HB2 ASP 9 -18.996 4.868 19.393 65 HB3 ASP 9 HB1 ASP 9 -17.466 4.026 19.608 66 H ALA 10 HN ALA 10 -20.920 2.753 19.056 67 HA ALA 10 HA ALA 10 -20.138 0.883 21.010 68 HB1 ALA 10 HB1 ALA 10 -22.599 0.217 21.014 69 HB2 ALA 10 HB2 ALA 10 -22.838 1.421 19.750 70 HB3 ALA 10 HB3 ALA 10 -22.251 1.914 21.337 71 H GLU 11 HN GLU 11 -21.154 0.430 17.642 72 HA GLU 11 HA GLU 11 -21.405 -2.389 17.776 73 HB2 GLU 11 HB2 GLU 11 -20.863 -0.551 15.431 74 HB3 GLU 11 HB1 GLU 11 -21.043 -2.296 15.267 75 HG2 GLU 11 HG2 GLU 11 -23.280 -2.220 16.183 76 HG3 GLU 11 HG1 GLU 11 -23.112 -0.512 16.578 77 H LEU 12 HN LEU 12 -18.632 -0.267 17.226 78 HA LEU 12 HA LEU 12 -16.824 -2.306 16.438 79 HB2 LEU 12 HB2 LEU 12 -16.327 0.409 17.695 80 HB3 LEU 12 HB1 LEU 12 -15.038 -0.670 17.178 81 HG LEU 12 HG LEU 12 -17.257 0.290 15.342 82 HD11 LEU 12 HD11 LEU 12 -14.419 1.324 15.596 83 HD12 LEU 12 HD12 LEU 12 -15.852 2.164 16.184 84 HD13 LEU 12 HD13 LEU 12 -15.640 1.889 14.456 85 HD21 LEU 12 HD21 LEU 12 -16.362 -1.606 14.301 86 HD22 LEU 12 HD22 LEU 12 -14.758 -1.363 14.992 87 HD23 LEU 12 HD23 LEU 12 -15.308 -0.350 13.659 88 H GLN 13 HN GLN 13 -17.873 -1.108 19.575 89 HA GLN 13 HA GLN 13 -15.896 -2.406 21.133 90 HB2 GLN 13 HB2 GLN 13 -18.687 -1.469 21.842 91 HB3 GLN 13 HB1 GLN 13 -17.588 -2.198 23.009 92 HG2 GLN 13 HG2 GLN 13 -15.909 -0.460 22.522 93 HG3 GLN 13 HG1 GLN 13 -17.005 0.280 21.359 94 HE21 GLN 13 HE21 GLN 13 -17.495 2.237 22.453 95 HE22 GLN 13 HE22 GLN 13 -18.218 2.290 23.989 96 H ARG 14 HN ARG 14 -18.976 -3.513 19.805 97 HA ARG 14 HA ARG 14 -19.215 -5.871 21.315 98 HB2 ARG 14 HB2 ARG 14 -20.190 -5.207 18.521 99 HB3 ARG 14 HB1 ARG 14 -20.583 -6.710 19.348 100 HG2 ARG 14 HG2 ARG 14 -21.101 -4.059 20.690 101 HG3 ARG 14 HG1 ARG 14 -22.247 -4.698 19.515 102 HD2 ARG 14 HD2 ARG 14 -21.328 -6.112 22.042 103 HD3 ARG 14 HD1 ARG 14 -22.893 -5.359 21.787 104 HE ARG 14 HE ARG 14 -22.017 -7.916 20.736 105 HH11 ARG 14 HH11 ARG 14 -23.611 -9.091 19.627 106 HH12 ARG 14 HH12 ARG 14 -25.073 -8.305 19.134 107 HH21 ARG 14 HH21 ARG 14 -24.170 -5.223 20.441 108 HH22 ARG 14 HH22 ARG 14 -25.389 -6.114 19.594 109 H LEU 15 HN LEU 15 -17.350 -5.160 18.397 110 HA LEU 15 HA LEU 15 -16.667 -7.830 17.781 111 HB2 LEU 15 HB2 LEU 15 -16.295 -6.037 16.158 112 HB3 LEU 15 HB1 LEU 15 -15.099 -5.287 17.209 113 HG LEU 15 HG LEU 15 -13.687 -7.318 17.041 114 HD11 LEU 15 HD11 LEU 15 -14.421 -8.887 15.060 115 HD12 LEU 15 HD12 LEU 15 -16.037 -8.281 15.416 116 HD13 LEU 15 HD13 LEU 15 -15.122 -9.134 16.657 117 HD21 LEU 15 HD21 LEU 15 -14.579 -6.159 14.383 118 HD22 LEU 15 HD22 LEU 15 -13.062 -7.017 14.659 119 HD23 LEU 15 HD23 LEU 15 -13.360 -5.471 15.455 120 H LYS 16 HN LYS 16 -15.225 -5.463 19.989 121 HA LYS 16 HA LYS 16 -12.902 -6.940 20.614 122 HB2 LYS 16 HB2 LYS 16 -13.125 -4.565 21.219 123 HB3 LYS 16 HB1 LYS 16 -14.388 -4.963 22.380 124 HG2 LYS 16 HG2 LYS 16 -12.805 -6.361 23.644 125 HG3 LYS 16 HG1 LYS 16 -11.542 -6.007 22.465 126 HD2 LYS 16 HD2 LYS 16 -11.727 -3.598 23.002 127 HD3 LYS 16 HD1 LYS 16 -12.967 -3.968 24.200 128 HE2 LYS 16 HE2 LYS 16 -10.139 -5.060 24.251 129 HE3 LYS 16 HE1 LYS 16 -10.716 -3.710 25.229 130 HZ1 LYS 16 HZ1 LYS 16 -12.535 -5.766 25.571 131 HZ2 LYS 16 HZ2 LYS 16 -11.409 -5.187 26.704 132 HZ3 LYS 16 HZ3 LYS 16 -11.003 -6.486 25.686 133 H ASN 17 HN ASN 17 -16.195 -7.051 21.921 134 HA ASN 17 HA ASN 17 -15.648 -8.704 24.135 135 HB2 ASN 17 HB2 ASN 17 -17.807 -7.529 23.859 136 HB3 ASN 17 HB1 ASN 17 -18.217 -8.597 22.519 137 HD21 ASN 17 HD21 ASN 17 -19.898 -8.594 24.754 138 HD22 ASN 17 HD22 ASN 17 -19.708 -10.043 25.615 139 H GLU 18 HN GLU 18 -16.239 -9.474 20.731 140 HA GLU 18 HA GLU 18 -16.510 -12.268 21.061 141 HB2 GLU 18 HB2 GLU 18 -15.567 -10.653 18.671 142 HB3 GLU 18 HB1 GLU 18 -15.873 -12.387 18.637 143 HG2 GLU 18 HG2 GLU 18 -17.931 -10.351 19.521 144 HG3 GLU 18 HG1 GLU 18 -17.815 -10.965 17.872 145 H ALA 19 HN ALA 19 -13.690 -10.167 20.760 146 HA ALA 19 HA ALA 19 -11.763 -12.191 20.319 147 HB1 ALA 19 HB1 ALA 19 -10.106 -10.552 21.101 148 HB2 ALA 19 HB2 ALA 19 -11.396 -9.521 21.718 149 HB3 ALA 19 HB3 ALA 19 -11.244 -9.805 19.982 150 H ALA 20 HN ALA 20 -13.502 -11.210 23.149 151 HA ALA 20 HA ALA 20 -11.722 -12.145 25.139 152 HB1 ALA 20 HB1 ALA 20 -13.695 -10.735 25.664 153 HB2 ALA 20 HB2 ALA 20 -13.655 -12.208 26.631 154 HB3 ALA 20 HB3 ALA 20 -14.755 -12.090 25.261 155 H GLU 21 HN GLU 21 -13.819 -13.800 22.929 156 HA GLU 21 HA GLU 21 -14.141 -16.227 24.333 157 HB2 GLU 21 HB2 GLU 21 -14.152 -15.638 21.358 158 HB3 GLU 21 HB1 GLU 21 -14.509 -17.225 22.040 159 HG2 GLU 21 HG2 GLU 21 -16.373 -16.334 23.298 160 HG3 GLU 21 HG1 GLU 21 -15.964 -14.689 22.820 161 H GLU 22 HN GLU 22 -11.530 -15.006 22.289 162 HA GLU 22 HA GLU 22 -10.124 -17.441 22.017 163 HB2 GLU 22 HB2 GLU 22 -9.613 -15.478 20.612 164 HB3 GLU 22 HB1 GLU 22 -8.979 -14.624 22.018 165 HG2 GLU 22 HG2 GLU 22 -7.260 -16.351 22.317 166 HG3 GLU 22 HG1 GLU 22 -7.916 -17.257 20.955 167 H ALA 23 HN ALA 23 -10.113 -14.977 24.562 168 HA ALA 23 HA ALA 23 -7.867 -15.934 25.979 169 HB1 ALA 23 HB1 ALA 23 -10.322 -14.501 27.048 170 HB2 ALA 23 HB2 ALA 23 -8.824 -13.746 26.499 171 HB3 ALA 23 HB3 ALA 23 -8.823 -14.759 27.940 172 H GLU 24 HN GLU 24 -11.155 -17.077 25.777 173 HA GLU 24 HA GLU 24 -11.202 -18.625 28.142 174 HB2 GLU 24 HB2 GLU 24 -13.256 -18.129 26.867 175 HB3 GLU 24 HB1 GLU 24 -12.698 -19.160 25.550 176 HG2 GLU 24 HG2 GLU 24 -12.665 -21.098 27.052 177 HG3 GLU 24 HG1 GLU 24 -13.158 -20.078 28.402 178 H LEU 25 HN LEU 25 -9.979 -19.316 24.888 179 HA LEU 25 HA LEU 25 -9.520 -22.076 25.274 180 HB2 LEU 25 HB2 LEU 25 -8.164 -20.086 23.430 181 HB3 LEU 25 HB1 LEU 25 -7.849 -21.816 23.402 182 HG LEU 25 HG LEU 25 -10.606 -20.597 23.079 183 HD11 LEU 25 HD11 LEU 25 -8.709 -21.639 20.953 184 HD12 LEU 25 HD12 LEU 25 -9.075 -19.937 21.242 185 HD13 LEU 25 HD13 LEU 25 -10.341 -21.029 20.682 186 HD21 LEU 25 HD21 LEU 25 -9.489 -23.395 23.004 187 HD22 LEU 25 HD22 LEU 25 -10.837 -23.000 21.941 188 HD23 LEU 25 HD23 LEU 25 -11.009 -22.816 23.681 189 H GLU 26 HN GLU 26 -7.599 -19.219 26.068 190 HA GLU 26 HA GLU 26 -5.195 -20.570 26.672 191 HB2 GLU 26 HB2 GLU 26 -5.276 -18.123 26.393 192 HB3 GLU 26 HB1 GLU 26 -6.213 -17.973 27.877 193 HG2 GLU 26 HG2 GLU 26 -4.373 -18.961 29.164 194 HG3 GLU 26 HG1 GLU 26 -3.442 -19.185 27.683 195 H ARG 27 HN ARG 27 -8.084 -19.916 28.626 196 HA ARG 27 HA ARG 27 -6.999 -20.746 31.099 197 HB2 ARG 27 HB2 ARG 27 -9.864 -20.696 30.108 198 HB3 ARG 27 HB1 ARG 27 -9.408 -21.131 31.754 199 HG2 ARG 27 HG2 ARG 27 -8.296 -18.954 32.032 200 HG3 ARG 27 HG1 ARG 27 -8.733 -18.515 30.380 201 HD2 ARG 27 HD2 ARG 27 -11.124 -18.739 30.958 202 HD3 ARG 27 HD1 ARG 27 -10.683 -19.158 32.611 203 HE ARG 27 HE ARG 27 -10.626 -16.510 31.420 204 HH11 ARG 27 HH11 ARG 27 -10.128 -14.823 32.857 205 HH12 ARG 27 HH12 ARG 27 -9.476 -15.187 34.418 206 HH21 ARG 27 HH21 ARG 27 -9.500 -18.618 33.922 207 HH22 ARG 27 HH22 ARG 27 -9.120 -17.335 35.021 208 H LEU 28 HN LEU 28 -8.488 -22.545 28.439 209 HA LEU 28 HA LEU 28 -8.752 -25.002 29.804 210 HB2 LEU 28 HB2 LEU 28 -9.907 -24.619 27.681 211 HB3 LEU 28 HB1 LEU 28 -8.373 -24.517 26.828 212 HG LEU 28 HG LEU 28 -7.864 -26.857 27.471 213 HD11 LEU 28 HD11 LEU 28 -8.977 -27.288 29.488 214 HD12 LEU 28 HD12 LEU 28 -10.000 -28.138 28.333 215 HD13 LEU 28 HD13 LEU 28 -10.482 -26.552 28.935 216 HD21 LEU 28 HD21 LEU 28 -8.951 -26.491 25.340 217 HD22 LEU 28 HD22 LEU 28 -10.530 -26.366 26.114 218 HD23 LEU 28 HD23 LEU 28 -9.681 -27.913 26.084 219 H LYS 29 HN LYS 29 -6.044 -23.564 28.024 220 HA LYS 29 HA LYS 29 -4.396 -25.850 28.003 221 HB2 LYS 29 HB2 LYS 29 -3.886 -23.915 26.592 222 HB3 LYS 29 HB1 LYS 29 -3.550 -22.938 28.023 223 HG2 LYS 29 HG2 LYS 29 -1.673 -24.312 28.622 224 HG3 LYS 29 HG1 LYS 29 -2.099 -25.523 27.415 225 HD2 LYS 29 HD2 LYS 29 -0.288 -24.249 26.493 226 HD3 LYS 29 HD1 LYS 29 -1.745 -23.732 25.650 227 HE2 LYS 29 HE2 LYS 29 -1.896 -21.730 27.001 228 HE3 LYS 29 HE1 LYS 29 -0.589 -22.281 28.049 229 HZ1 LYS 29 HZ1 LYS 29 -0.423 -20.855 25.636 230 HZ2 LYS 29 HZ2 LYS 29 0.328 -22.364 25.419 231 HZ3 LYS 29 HZ3 LYS 29 0.835 -21.330 26.671 232 H SER 30 HN SER 30 -4.853 -23.332 30.467 233 HA SER 30 HA SER 30 -2.695 -24.064 32.127 234 HB2 SER 30 HB2 SER 30 -3.896 -22.872 33.897 235 HB3 SER 30 HB1 SER 30 -3.958 -21.961 32.391 236 HG SER 30 HG SER 30 -5.963 -23.674 33.453 237 H GLU 31 HN GLU 31 -5.948 -25.348 31.781 238 HA GLU 31 HA GLU 31 -5.996 -26.902 34.141 239 HB2 GLU 31 HB2 GLU 31 -7.468 -27.242 31.512 240 HB3 GLU 31 HB1 GLU 31 -7.739 -28.268 32.920 241 HG2 GLU 31 HG2 GLU 31 -8.377 -26.350 34.263 242 HG3 GLU 31 HG1 GLU 31 -7.969 -25.248 32.947 243 H ARG 32 HN ARG 32 -4.693 -27.538 30.916 244 HA ARG 32 HA ARG 32 -4.176 -30.315 31.360 245 HB2 ARG 32 HB2 ARG 32 -4.290 -29.336 29.086 246 HB3 ARG 32 HB1 ARG 32 -2.821 -28.416 29.421 247 HG2 ARG 32 HG2 ARG 32 -1.549 -30.469 29.728 248 HG3 ARG 32 HG1 ARG 32 -3.012 -31.439 29.543 249 HD2 ARG 32 HD2 ARG 32 -1.781 -31.425 27.437 250 HD3 ARG 32 HD1 ARG 32 -3.287 -30.533 27.243 251 HE ARG 32 HE ARG 32 -1.162 -28.780 27.990 252 HH11 ARG 32 HH11 ARG 32 -0.326 -27.415 26.379 253 HH12 ARG 32 HH12 ARG 32 -0.620 -27.773 24.710 254 HH21 ARG 32 HH21 ARG 32 -2.470 -30.629 25.374 255 HH22 ARG 32 HH22 ARG 32 -1.835 -29.592 24.141 256 H HIS 33 HN HIS 33 -2.543 -31.288 32.395 257 HA HIS 33 HA HIS 33 -0.117 -29.739 33.053 258 HB2 HIS 33 HB2 HIS 33 -1.707 -31.410 35.025 259 HB3 HIS 33 HB1 HIS 33 -0.156 -30.634 35.351 260 HD2 HIS 33 HD2 HIS 33 -3.859 -29.772 35.592 261 HE1 HIS 33 HE1 HIS 33 -1.826 -26.073 35.542 262 HE2 HIS 33 HE2 HIS 33 -4.062 -27.196 35.969 263 H ASP 34 HN ASP 34 1.681 -31.303 33.893 264 HA ASP 34 HA ASP 34 1.870 -33.502 32.048 265 HB2 ASP 34 HB2 ASP 34 3.680 -32.552 34.283 266 HB3 ASP 34 HB1 ASP 34 4.050 -33.929 33.248 267 H HIS 35 HN HIS 35 0.514 -33.122 35.114 268 HA HIS 35 HA HIS 35 0.875 -35.956 35.861 269 HB2 HIS 35 HB2 HIS 35 -0.270 -33.614 37.403 270 HB3 HIS 35 HB1 HIS 35 -0.148 -35.263 38.014 271 HD2 HIS 35 HD2 HIS 35 2.422 -36.020 38.868 272 HE1 HIS 35 HE1 HIS 35 4.373 -32.421 37.838 273 HE2 HIS 35 HE2 HIS 35 4.639 -34.650 39.027 274 H ASP 36 HN ASP 36 -1.062 -34.447 33.832 275 HA ASP 36 HA ASP 36 -3.656 -35.332 34.811 276 HB2 ASP 36 HB2 ASP 36 -4.537 -34.373 32.772 277 HB3 ASP 36 HB1 ASP 36 -3.392 -33.241 33.486 278 H LYS 37 HN LYS 37 -1.131 -36.978 33.675 279 HA LYS 37 HA LYS 37 -2.125 -38.516 31.534 280 HB2 LYS 37 HB2 LYS 37 0.267 -38.455 32.162 281 HB3 LYS 37 HB1 LYS 37 -0.087 -39.390 33.611 282 HG2 LYS 37 HG2 LYS 37 -1.033 -41.199 32.146 283 HG3 LYS 37 HG1 LYS 37 -0.511 -40.275 30.741 284 HD2 LYS 37 HD2 LYS 37 1.403 -41.095 32.932 285 HD3 LYS 37 HD1 LYS 37 1.067 -42.128 31.545 286 HE2 LYS 37 HE2 LYS 37 1.732 -40.200 30.054 287 HE3 LYS 37 HE1 LYS 37 2.257 -39.340 31.498 288 HZ1 LYS 37 HZ1 LYS 37 4.186 -40.364 31.087 289 HZ2 LYS 37 HZ2 LYS 37 3.475 -41.586 30.146 290 HZ3 LYS 37 HZ3 LYS 37 3.453 -41.695 31.842 291 H LYS 38 HN LYS 38 -2.460 -38.962 35.051 292 HA LYS 38 HA LYS 38 -3.505 -41.572 34.947 293 HB2 LYS 38 HB2 LYS 38 -3.878 -39.379 37.000 294 HB3 LYS 38 HB1 LYS 38 -4.515 -41.011 37.195 295 HG2 LYS 38 HG2 LYS 38 -2.245 -41.935 36.931 296 HG3 LYS 38 HG1 LYS 38 -1.602 -40.304 36.740 297 HD2 LYS 38 HD2 LYS 38 -2.431 -39.721 38.997 298 HD3 LYS 38 HD1 LYS 38 -3.042 -41.364 39.190 299 HE2 LYS 38 HE2 LYS 38 -0.140 -40.635 38.699 300 HE3 LYS 38 HE1 LYS 38 -0.822 -41.080 40.263 301 HZ1 LYS 38 HZ1 LYS 38 -1.363 -43.231 39.450 302 HZ2 LYS 38 HZ2 LYS 38 0.262 -42.936 39.051 303 HZ3 LYS 38 HZ3 LYS 38 -0.944 -42.815 37.860 304 H GLU 39 HN GLU 39 -5.136 -38.425 34.639 305 HA GLU 39 HA GLU 39 -7.773 -39.510 34.699 306 HB2 GLU 39 HB2 GLU 39 -6.706 -36.898 33.586 307 HB3 GLU 39 HB1 GLU 39 -8.412 -37.325 33.601 308 HG2 GLU 39 HG2 GLU 39 -8.150 -36.090 35.586 309 HG3 GLU 39 HG1 GLU 39 -8.079 -37.757 36.143 310 H ALA 40 HN ALA 40 -5.349 -39.169 32.216 311 HA ALA 40 HA ALA 40 -7.022 -39.458 29.953 312 HB1 ALA 40 HB1 ALA 40 -5.004 -40.124 28.737 313 HB2 ALA 40 HB2 ALA 40 -4.135 -40.343 30.255 314 HB3 ALA 40 HB3 ALA 40 -4.666 -38.732 29.766 315 H GLU 41 HN GLU 41 -5.901 -41.724 32.325 316 HA GLU 41 HA GLU 41 -6.143 -44.106 30.828 317 HB2 GLU 41 HB2 GLU 41 -6.416 -43.605 33.806 318 HB3 GLU 41 HB1 GLU 41 -6.471 -45.209 33.078 319 HG2 GLU 41 HG2 GLU 41 -4.246 -44.944 32.169 320 HG3 GLU 41 HG1 GLU 41 -4.187 -43.259 32.686 321 H ARG 42 HN ARG 42 -8.527 -42.147 32.555 322 HA ARG 42 HA ARG 42 -10.645 -44.010 32.469 323 HB2 ARG 42 HB2 ARG 42 -10.671 -40.985 32.623 324 HB3 ARG 42 HB1 ARG 42 -12.125 -41.978 32.702 325 HG2 ARG 42 HG2 ARG 42 -11.200 -43.194 34.635 326 HG3 ARG 42 HG1 ARG 42 -9.744 -42.201 34.563 327 HD2 ARG 42 HD2 ARG 42 -11.106 -40.177 34.939 328 HD3 ARG 42 HD1 ARG 42 -12.559 -41.169 35.017 329 HE ARG 42 HE ARG 42 -10.538 -40.886 37.084 330 HH11 ARG 42 HH11 ARG 42 -11.018 -41.931 39.043 331 HH12 ARG 42 HH12 ARG 42 -12.300 -43.092 39.108 332 HH21 ARG 42 HH21 ARG 42 -13.120 -42.766 35.754 333 HH22 ARG 42 HH22 ARG 42 -13.491 -43.567 37.245 334 H LYS 43 HN LYS 43 -9.477 -41.637 30.124 335 HA LYS 43 HA LYS 43 -11.664 -41.746 28.345 336 HB2 LYS 43 HB2 LYS 43 -9.981 -39.959 28.223 337 HB3 LYS 43 HB1 LYS 43 -8.763 -41.122 27.700 338 HG2 LYS 43 HG2 LYS 43 -10.094 -41.635 25.692 339 HG3 LYS 43 HG1 LYS 43 -11.339 -40.504 26.224 340 HD2 LYS 43 HD2 LYS 43 -9.709 -38.657 26.128 341 HD3 LYS 43 HD1 LYS 43 -8.459 -39.786 25.604 342 HE2 LYS 43 HE2 LYS 43 -9.778 -40.324 23.592 343 HE3 LYS 43 HE1 LYS 43 -11.038 -39.205 24.115 344 HZ1 LYS 43 HZ1 LYS 43 -9.899 -37.505 23.305 345 HZ2 LYS 43 HZ2 LYS 43 -8.811 -38.609 22.609 346 HZ3 LYS 43 HZ3 LYS 43 -8.493 -37.951 24.143 347 H ALA 44 HN ALA 44 -8.788 -43.799 28.615 348 HA ALA 44 HA ALA 44 -9.027 -45.138 26.156 349 HB1 ALA 44 HB1 ALA 44 -7.716 -46.951 27.194 350 HB2 ALA 44 HB2 ALA 44 -7.965 -46.225 28.780 351 HB3 ALA 44 HB3 ALA 44 -7.028 -45.369 27.552 352 H LEU 45 HN LEU 45 -10.925 -45.400 29.029 353 HA LEU 45 HA LEU 45 -11.920 -48.020 28.676 354 HB2 LEU 45 HB2 LEU 45 -13.150 -45.619 30.058 355 HB3 LEU 45 HB1 LEU 45 -13.842 -47.236 30.097 356 HG LEU 45 HG LEU 45 -11.017 -46.585 30.984 357 HD11 LEU 45 HD11 LEU 45 -13.484 -47.044 32.687 358 HD12 LEU 45 HD12 LEU 45 -12.753 -45.467 32.382 359 HD13 LEU 45 HD13 LEU 45 -11.856 -46.699 33.270 360 HD21 LEU 45 HD21 LEU 45 -10.979 -48.881 30.598 361 HD22 LEU 45 HD22 LEU 45 -12.703 -49.080 30.909 362 HD23 LEU 45 HD23 LEU 45 -11.579 -48.873 32.251 363 H GLU 46 HN GLU 46 -12.872 -44.912 27.299 364 HA GLU 46 HA GLU 46 -15.340 -45.756 26.195 365 HB2 GLU 46 HB2 GLU 46 -13.432 -43.579 25.288 366 HB3 GLU 46 HB1 GLU 46 -15.071 -43.802 24.675 367 HG2 GLU 46 HG2 GLU 46 -14.413 -43.398 27.602 368 HG3 GLU 46 HG1 GLU 46 -14.897 -42.096 26.517 369 H ASP 47 HN ASP 47 -12.042 -46.262 25.257 370 HA ASP 47 HA ASP 47 -12.401 -46.776 22.510 371 HB2 ASP 47 HB2 ASP 47 -10.163 -46.503 23.535 372 HB3 ASP 47 HB1 ASP 47 -10.351 -48.052 24.352 373 H LYS 48 HN LYS 48 -12.845 -48.837 25.355 374 HA LYS 48 HA LYS 48 -13.242 -51.235 23.855 375 HB2 LYS 48 HB2 LYS 48 -14.018 -50.496 26.696 376 HB3 LYS 48 HB1 LYS 48 -14.166 -52.115 26.019 377 HG2 LYS 48 HG2 LYS 48 -11.743 -52.151 25.554 378 HG3 LYS 48 HG1 LYS 48 -11.589 -50.533 26.239 379 HD2 LYS 48 HD2 LYS 48 -12.424 -51.370 28.407 380 HD3 LYS 48 HD1 LYS 48 -12.572 -52.988 27.724 381 HE2 LYS 48 HE2 LYS 48 -10.147 -53.029 27.275 382 HE3 LYS 48 HE1 LYS 48 -9.994 -51.406 27.949 383 HZ1 LYS 48 HZ1 LYS 48 -10.411 -53.950 29.301 384 HZ2 LYS 48 HZ2 LYS 48 -11.244 -52.612 29.939 385 HZ3 LYS 48 HZ3 LYS 48 -9.551 -52.579 29.807 386 H LEU 49 HN LEU 49 -15.349 -52.280 23.352 387 HA LEU 49 HA LEU 49 -17.535 -52.217 22.602 388 HB2 LEU 49 HB2 LEU 49 -17.580 -50.812 25.258 389 HB3 LEU 49 HB1 LEU 49 -19.045 -50.799 24.278 390 HG LEU 49 HG LEU 49 -18.965 -53.272 24.138 391 HD11 LEU 49 HD11 LEU 49 -16.625 -53.727 24.336 392 HD12 LEU 49 HD12 LEU 49 -17.372 -54.404 25.783 393 HD13 LEU 49 HD13 LEU 49 -16.517 -52.864 25.871 394 HD21 LEU 49 HD21 LEU 49 -18.832 -52.116 26.943 395 HD22 LEU 49 HD22 LEU 49 -19.491 -53.703 26.543 396 HD23 LEU 49 HD23 LEU 49 -20.272 -52.246 25.932 397 H ALA 50 HN ALA 50 -15.572 -50.071 21.814 398 HA ALA 50 HA ALA 50 -16.920 -47.608 21.517 399 HB1 ALA 50 HB1 ALA 50 -14.538 -47.646 21.171 400 HB2 ALA 50 HB2 ALA 50 -15.292 -47.175 19.652 401 HB3 ALA 50 HB3 ALA 50 -14.684 -48.814 19.858 402 H ASP 51 HN ASP 51 -17.002 -50.571 19.615 403 HA ASP 51 HA ASP 51 -18.201 -49.542 17.294 404 HB2 ASP 51 HB2 ASP 51 -18.347 -52.296 18.548 405 HB3 ASP 51 HB1 ASP 51 -19.089 -51.901 16.999 406 H TYR 52 HN TYR 52 -19.637 -50.552 20.384 407 HA TYR 52 HA TYR 52 -21.925 -48.928 19.992 408 HB2 TYR 52 HB2 TYR 52 -22.594 -50.631 18.382 409 HB3 TYR 52 HB1 TYR 52 -22.330 -51.900 19.576 410 HD1 TYR 52 HD1 TYR 52 -24.340 -48.835 18.874 411 HD2 TYR 52 HD2 TYR 52 -24.020 -52.468 21.144 412 HE1 TYR 52 HE1 TYR 52 -26.648 -48.507 19.724 413 HE2 TYR 52 HE2 TYR 52 -26.327 -52.140 21.994 414 HH TYR 52 HH TYR 52 -28.376 -49.526 20.787 Start of MODEL 18 1 H1 GLY 1 HT1 GLY 1 -15.582 17.047 9.892 2 H2 GLY 1 HT2 GLY 1 -14.525 17.730 8.749 3 H3 GLY 1 HT3 GLY 1 -14.031 16.395 9.675 4 HA2 GLY 1 HA2 GLY 1 -16.445 16.014 8.105 5 HA3 GLY 1 HA1 GLY 1 -14.945 16.181 7.193 6 H SER 2 HN SER 2 -13.047 14.935 8.385 7 HA SER 2 HA SER 2 -13.847 12.150 8.416 8 HB2 SER 2 HB2 SER 2 -11.481 11.674 8.462 9 HB3 SER 2 HB1 SER 2 -11.760 12.966 7.298 10 HG SER 2 HG SER 2 -11.112 13.452 10.012 11 H VAL 3 HN VAL 3 -13.653 14.575 10.713 12 HA VAL 3 HA VAL 3 -12.550 13.216 12.927 13 HB VAL 3 HB VAL 3 -14.501 15.532 12.788 14 HG11 VAL 3 HG11 VAL 3 -14.940 14.503 14.905 15 HG12 VAL 3 HG12 VAL 3 -13.821 15.827 15.232 16 HG13 VAL 3 HG13 VAL 3 -13.228 14.168 15.171 17 HG21 VAL 3 HG21 VAL 3 -11.534 15.259 13.374 18 HG22 VAL 3 HG22 VAL 3 -12.449 16.739 13.642 19 HG23 VAL 3 HG23 VAL 3 -12.275 16.098 12.013 20 H GLU 4 HN GLU 4 -15.890 13.336 11.695 21 HA GLU 4 HA GLU 4 -17.075 12.008 13.893 22 HB2 GLU 4 HB2 GLU 4 -18.978 11.640 12.445 23 HB3 GLU 4 HB1 GLU 4 -18.342 13.256 12.144 24 HG2 GLU 4 HG2 GLU 4 -17.040 12.305 10.213 25 HG3 GLU 4 HG1 GLU 4 -17.876 10.775 10.463 26 H LYS 5 HN LYS 5 -15.077 10.852 11.342 27 HA LYS 5 HA LYS 5 -15.982 8.185 11.143 28 HB2 LYS 5 HB2 LYS 5 -14.340 9.158 9.564 29 HB3 LYS 5 HB1 LYS 5 -13.138 9.202 10.856 30 HG2 LYS 5 HG2 LYS 5 -13.255 6.761 11.080 31 HG3 LYS 5 HG1 LYS 5 -14.502 6.694 9.836 32 HD2 LYS 5 HD2 LYS 5 -12.941 7.614 8.187 33 HD3 LYS 5 HD1 LYS 5 -11.694 7.760 9.426 34 HE2 LYS 5 HE2 LYS 5 -11.334 5.717 8.118 35 HE3 LYS 5 HE1 LYS 5 -11.776 5.304 9.775 36 HZ1 LYS 5 HZ1 LYS 5 -14.166 5.507 8.497 37 HZ2 LYS 5 HZ2 LYS 5 -13.356 4.059 8.859 38 HZ3 LYS 5 HZ3 LYS 5 -13.173 4.777 7.330 39 H LEU 6 HN LEU 6 -13.621 9.702 13.309 40 HA LEU 6 HA LEU 6 -12.890 7.311 14.661 41 HB2 LEU 6 HB2 LEU 6 -12.713 10.209 15.536 42 HB3 LEU 6 HB1 LEU 6 -12.012 8.861 16.424 43 HG LEU 6 HG LEU 6 -11.366 9.514 13.534 44 HD11 LEU 6 HD11 LEU 6 -10.582 11.316 14.969 45 HD12 LEU 6 HD12 LEU 6 -9.199 10.342 14.472 46 HD13 LEU 6 HD13 LEU 6 -9.870 10.158 16.092 47 HD21 LEU 6 HD21 LEU 6 -9.286 8.044 14.322 48 HD22 LEU 6 HD22 LEU 6 -10.765 7.271 13.771 49 HD23 LEU 6 HD23 LEU 6 -10.444 7.421 15.497 50 H THR 7 HN THR 7 -15.540 9.567 15.032 51 HA THR 7 HA THR 7 -16.305 8.831 17.652 52 HB THR 7 HB THR 7 -17.987 9.924 15.389 53 HG1 THR 7 HG1 THR 7 -16.393 11.028 17.417 54 HG21 THR 7 HG21 THR 7 -19.397 10.713 17.373 55 HG22 THR 7 HG22 THR 7 -18.500 9.541 18.338 56 HG23 THR 7 HG23 THR 7 -19.489 8.996 16.984 57 H ALA 8 HN ALA 8 -17.212 7.532 14.457 58 HA ALA 8 HA ALA 8 -19.069 5.635 15.609 59 HB1 ALA 8 HB1 ALA 8 -17.910 5.629 12.810 60 HB2 ALA 8 HB2 ALA 8 -19.329 6.566 13.287 61 HB3 ALA 8 HB3 ALA 8 -19.365 4.807 13.367 62 H ASP 9 HN ASP 9 -15.704 5.809 15.036 63 HA ASP 9 HA ASP 9 -15.130 3.056 14.675 64 HB2 ASP 9 HB2 ASP 9 -13.426 5.304 15.777 65 HB3 ASP 9 HB1 ASP 9 -12.834 3.663 15.560 66 H ALA 10 HN ALA 10 -15.636 5.003 17.580 67 HA ALA 10 HA ALA 10 -14.730 3.092 19.455 68 HB1 ALA 10 HB1 ALA 10 -16.844 5.242 19.806 69 HB2 ALA 10 HB2 ALA 10 -15.117 5.413 20.124 70 HB3 ALA 10 HB3 ALA 10 -16.092 4.326 21.111 71 H GLU 11 HN GLU 11 -17.699 3.364 17.643 72 HA GLU 11 HA GLU 11 -19.260 1.616 19.282 73 HB2 GLU 11 HB2 GLU 11 -19.579 2.443 16.386 74 HB3 GLU 11 HB1 GLU 11 -20.739 1.446 17.259 75 HG2 GLU 11 HG2 GLU 11 -19.858 4.190 18.200 76 HG3 GLU 11 HG1 GLU 11 -21.304 3.904 17.237 77 H LEU 12 HN LEU 12 -16.853 1.129 16.853 78 HA LEU 12 HA LEU 12 -17.586 -1.534 16.113 79 HB2 LEU 12 HB2 LEU 12 -14.951 -0.059 15.895 80 HB3 LEU 12 HB1 LEU 12 -15.228 -1.669 15.246 81 HG LEU 12 HG LEU 12 -16.892 0.760 14.499 82 HD11 LEU 12 HD11 LEU 12 -15.605 0.824 12.431 83 HD12 LEU 12 HD12 LEU 12 -14.652 -0.567 12.947 84 HD13 LEU 12 HD13 LEU 12 -14.506 0.966 13.805 85 HD21 LEU 12 HD21 LEU 12 -16.836 -2.133 13.646 86 HD22 LEU 12 HD22 LEU 12 -17.287 -0.903 12.466 87 HD23 LEU 12 HD23 LEU 12 -18.221 -1.083 13.945 88 H GLN 13 HN GLN 13 -16.137 -0.210 18.898 89 HA GLN 13 HA GLN 13 -14.352 -2.168 19.728 90 HB2 GLN 13 HB2 GLN 13 -14.714 -1.430 21.980 91 HB3 GLN 13 HB1 GLN 13 -14.865 -0.012 20.949 92 HG2 GLN 13 HG2 GLN 13 -17.382 -0.420 20.956 93 HG3 GLN 13 HG1 GLN 13 -17.100 -1.629 22.204 94 HE21 GLN 13 HE21 GLN 13 -18.023 1.523 21.894 95 HE22 GLN 13 HE22 GLN 13 -17.429 2.140 23.358 96 H ARG 14 HN ARG 14 -17.768 -2.385 19.349 97 HA ARG 14 HA ARG 14 -18.330 -4.457 21.183 98 HB2 ARG 14 HB2 ARG 14 -20.136 -3.199 20.095 99 HB3 ARG 14 HB1 ARG 14 -19.709 -3.895 18.533 100 HG2 ARG 14 HG2 ARG 14 -20.231 -6.129 19.324 101 HG3 ARG 14 HG1 ARG 14 -20.496 -5.529 20.961 102 HD2 ARG 14 HD2 ARG 14 -22.098 -4.629 18.553 103 HD3 ARG 14 HD1 ARG 14 -22.616 -5.898 19.657 104 HE ARG 14 HE ARG 14 -22.009 -3.640 21.200 105 HH11 ARG 14 HH11 ARG 14 -23.683 -2.270 21.892 106 HH12 ARG 14 HH12 ARG 14 -25.194 -2.261 21.043 107 HH21 ARG 14 HH21 ARG 14 -24.215 -4.653 18.733 108 HH22 ARG 14 HH22 ARG 14 -25.494 -3.610 19.256 109 H LEU 15 HN LEU 15 -17.073 -4.532 17.868 110 HA LEU 15 HA LEU 15 -17.247 -7.336 17.524 111 HB2 LEU 15 HB2 LEU 15 -15.415 -5.293 16.235 112 HB3 LEU 15 HB1 LEU 15 -15.477 -6.986 15.762 113 HG LEU 15 HG LEU 15 -17.890 -5.149 15.791 114 HD11 LEU 15 HD11 LEU 15 -16.085 -5.983 13.500 115 HD12 LEU 15 HD12 LEU 15 -16.266 -4.353 14.150 116 HD13 LEU 15 HD13 LEU 15 -17.614 -5.125 13.315 117 HD21 LEU 15 HD21 LEU 15 -17.405 -8.018 15.009 118 HD22 LEU 15 HD22 LEU 15 -18.584 -7.087 14.086 119 HD23 LEU 15 HD23 LEU 15 -18.797 -7.298 15.820 120 H LYS 16 HN LYS 16 -14.826 -5.257 19.027 121 HA LYS 16 HA LYS 16 -12.776 -7.197 19.255 122 HB2 LYS 16 HB2 LYS 16 -13.383 -4.741 20.920 123 HB3 LYS 16 HB1 LYS 16 -11.938 -5.729 21.118 124 HG2 LYS 16 HG2 LYS 16 -11.332 -5.329 18.763 125 HG3 LYS 16 HG1 LYS 16 -12.776 -4.336 18.559 126 HD2 LYS 16 HD2 LYS 16 -11.965 -2.769 20.264 127 HD3 LYS 16 HD1 LYS 16 -10.538 -3.772 20.527 128 HE2 LYS 16 HE2 LYS 16 -9.979 -1.911 19.034 129 HE3 LYS 16 HE1 LYS 16 -9.890 -3.435 18.151 130 HZ1 LYS 16 HZ1 LYS 16 -11.470 -2.755 16.777 131 HZ2 LYS 16 HZ2 LYS 16 -11.400 -1.221 17.503 132 HZ3 LYS 16 HZ3 LYS 16 -12.516 -2.376 18.058 133 H ASN 17 HN ASN 17 -15.721 -6.666 21.016 134 HA ASN 17 HA ASN 17 -15.053 -7.974 23.425 135 HB2 ASN 17 HB2 ASN 17 -17.135 -6.605 23.070 136 HB3 ASN 17 HB1 ASN 17 -17.806 -7.951 22.154 137 HD21 ASN 17 HD21 ASN 17 -19.445 -8.521 23.697 138 HD22 ASN 17 HD22 ASN 17 -19.070 -9.127 25.238 139 H GLU 18 HN GLU 18 -16.115 -9.218 20.293 140 HA GLU 18 HA GLU 18 -16.623 -11.870 21.131 141 HB2 GLU 18 HB2 GLU 18 -17.386 -11.027 18.940 142 HB3 GLU 18 HB1 GLU 18 -15.714 -10.932 18.388 143 HG2 GLU 18 HG2 GLU 18 -15.449 -13.351 18.707 144 HG3 GLU 18 HG1 GLU 18 -17.096 -13.461 19.327 145 H ALA 19 HN ALA 19 -13.653 -10.218 20.150 146 HA ALA 19 HA ALA 19 -12.012 -12.505 19.936 147 HB1 ALA 19 HB1 ALA 19 -11.276 -10.318 19.094 148 HB2 ALA 19 HB2 ALA 19 -10.112 -10.966 20.249 149 HB3 ALA 19 HB3 ALA 19 -11.220 -9.688 20.742 150 H ALA 20 HN ALA 20 -13.258 -10.798 22.697 151 HA ALA 20 HA ALA 20 -11.358 -11.609 24.619 152 HB1 ALA 20 HB1 ALA 20 -13.090 -11.178 26.308 153 HB2 ALA 20 HB2 ALA 20 -14.319 -11.075 25.051 154 HB3 ALA 20 HB3 ALA 20 -13.028 -9.875 25.125 155 H GLU 21 HN GLU 21 -14.153 -13.267 23.237 156 HA GLU 21 HA GLU 21 -14.262 -15.400 25.082 157 HB2 GLU 21 HB2 GLU 21 -15.111 -15.241 22.175 158 HB3 GLU 21 HB1 GLU 21 -15.393 -16.650 23.197 159 HG2 GLU 21 HG2 GLU 21 -16.702 -15.339 24.754 160 HG3 GLU 21 HG1 GLU 21 -16.304 -13.849 23.899 161 H GLU 22 HN GLU 22 -12.278 -14.854 22.211 162 HA GLU 22 HA GLU 22 -11.254 -17.476 21.976 163 HB2 GLU 22 HB2 GLU 22 -10.978 -15.802 20.183 164 HB3 GLU 22 HB1 GLU 22 -9.881 -14.876 21.207 165 HG2 GLU 22 HG2 GLU 22 -8.334 -16.778 21.307 166 HG3 GLU 22 HG1 GLU 22 -9.445 -17.747 20.341 167 H ALA 23 HN ALA 23 -10.269 -14.725 23.975 168 HA ALA 23 HA ALA 23 -7.821 -15.798 24.880 169 HB1 ALA 23 HB1 ALA 23 -8.233 -13.476 25.306 170 HB2 ALA 23 HB2 ALA 23 -8.145 -14.277 26.872 171 HB3 ALA 23 HB3 ALA 23 -9.711 -13.827 26.202 172 H GLU 24 HN GLU 24 -11.149 -16.320 25.938 173 HA GLU 24 HA GLU 24 -10.562 -17.637 28.370 174 HB2 GLU 24 HB2 GLU 24 -12.949 -17.916 26.522 175 HB3 GLU 24 HB1 GLU 24 -12.857 -18.580 28.152 176 HG2 GLU 24 HG2 GLU 24 -12.474 -15.645 27.512 177 HG3 GLU 24 HG1 GLU 24 -14.010 -16.344 28.022 178 H LEU 25 HN LEU 25 -10.407 -18.667 25.060 179 HA LEU 25 HA LEU 25 -10.633 -21.452 25.426 180 HB2 LEU 25 HB2 LEU 25 -10.728 -20.444 23.187 181 HB3 LEU 25 HB1 LEU 25 -9.038 -19.966 23.309 182 HG LEU 25 HG LEU 25 -8.383 -22.347 23.504 183 HD11 LEU 25 HD11 LEU 25 -10.179 -23.505 24.459 184 HD12 LEU 25 HD12 LEU 25 -10.324 -23.974 22.768 185 HD13 LEU 25 HD13 LEU 25 -11.373 -22.717 23.427 186 HD21 LEU 25 HD21 LEU 25 -8.346 -21.415 21.294 187 HD22 LEU 25 HD22 LEU 25 -10.098 -21.537 21.144 188 HD23 LEU 25 HD23 LEU 25 -9.110 -22.997 21.151 189 H GLU 26 HN GLU 26 -7.912 -19.253 25.824 190 HA GLU 26 HA GLU 26 -5.833 -21.131 25.961 191 HB2 GLU 26 HB2 GLU 26 -6.122 -18.480 27.397 192 HB3 GLU 26 HB1 GLU 26 -4.621 -19.391 27.240 193 HG2 GLU 26 HG2 GLU 26 -6.277 -18.443 24.885 194 HG3 GLU 26 HG1 GLU 26 -4.877 -17.578 25.521 195 H ARG 27 HN ARG 27 -8.411 -20.531 28.142 196 HA ARG 27 HA ARG 27 -7.382 -21.076 30.643 197 HB2 ARG 27 HB2 ARG 27 -9.563 -21.868 31.282 198 HB3 ARG 27 HB1 ARG 27 -9.797 -20.570 30.113 199 HG2 ARG 27 HG2 ARG 27 -9.953 -22.362 28.316 200 HG3 ARG 27 HG1 ARG 27 -9.980 -23.555 29.611 201 HD2 ARG 27 HD2 ARG 27 -11.946 -21.266 29.351 202 HD3 ARG 27 HD1 ARG 27 -12.266 -22.925 28.854 203 HE ARG 27 HE ARG 27 -11.453 -23.067 31.504 204 HH11 ARG 27 HH11 ARG 27 -12.974 -23.108 33.191 205 HH12 ARG 27 HH12 ARG 27 -14.559 -22.459 32.935 206 HH21 ARG 27 HH21 ARG 27 -13.945 -21.545 29.648 207 HH22 ARG 27 HH22 ARG 27 -15.110 -21.573 30.930 208 H LEU 28 HN LEU 28 -7.437 -23.120 27.921 209 HA LEU 28 HA LEU 28 -7.571 -25.661 29.089 210 HB2 LEU 28 HB2 LEU 28 -7.707 -25.355 26.666 211 HB3 LEU 28 HB1 LEU 28 -6.030 -24.819 26.612 212 HG LEU 28 HG LEU 28 -5.299 -27.029 27.461 213 HD11 LEU 28 HD11 LEU 28 -8.279 -27.479 27.567 214 HD12 LEU 28 HD12 LEU 28 -7.049 -27.893 28.762 215 HD13 LEU 28 HD13 LEU 28 -7.197 -28.846 27.289 216 HD21 LEU 28 HD21 LEU 28 -5.440 -26.659 25.042 217 HD22 LEU 28 HD22 LEU 28 -7.141 -27.128 25.052 218 HD23 LEU 28 HD23 LEU 28 -5.894 -28.320 25.424 219 H LYS 29 HN LYS 29 -4.804 -23.444 28.786 220 HA LYS 29 HA LYS 29 -2.762 -25.248 29.423 221 HB2 LYS 29 HB2 LYS 29 -1.423 -23.342 30.036 222 HB3 LYS 29 HB1 LYS 29 -2.414 -22.889 28.654 223 HG2 LYS 29 HG2 LYS 29 -4.057 -21.851 30.240 224 HG3 LYS 29 HG1 LYS 29 -2.953 -22.208 31.564 225 HD2 LYS 29 HD2 LYS 29 -1.189 -20.880 30.411 226 HD3 LYS 29 HD1 LYS 29 -2.365 -20.447 29.170 227 HE2 LYS 29 HE2 LYS 29 -2.657 -19.854 32.131 228 HE3 LYS 29 HE1 LYS 29 -2.176 -18.683 30.902 229 HZ1 LYS 29 HZ1 LYS 29 -4.305 -19.214 29.749 230 HZ2 LYS 29 HZ2 LYS 29 -4.492 -18.442 31.252 231 HZ3 LYS 29 HZ3 LYS 29 -4.767 -20.113 31.112 232 H SER 30 HN SER 30 -5.190 -23.809 31.461 233 HA SER 30 HA SER 30 -3.915 -24.135 33.965 234 HB2 SER 30 HB2 SER 30 -6.147 -23.971 34.927 235 HB3 SER 30 HB1 SER 30 -5.983 -22.796 33.625 236 HG SER 30 HG SER 30 -7.563 -23.774 32.661 237 H GLU 31 HN GLU 31 -5.350 -26.371 31.770 238 HA GLU 31 HA GLU 31 -6.006 -28.451 33.565 239 HB2 GLU 31 HB2 GLU 31 -6.800 -28.446 31.228 240 HB3 GLU 31 HB1 GLU 31 -5.152 -28.713 30.660 241 HG2 GLU 31 HG2 GLU 31 -5.055 -30.840 31.879 242 HG3 GLU 31 HG1 GLU 31 -6.675 -30.563 32.516 243 H ARG 32 HN ARG 32 -2.969 -27.554 31.991 244 HA ARG 32 HA ARG 32 -0.801 -28.297 32.309 245 HB2 ARG 32 HB2 ARG 32 -1.937 -29.141 34.990 246 HB3 ARG 32 HB1 ARG 32 -0.224 -29.013 34.594 247 HG2 ARG 32 HG2 ARG 32 -0.468 -26.622 34.147 248 HG3 ARG 32 HG1 ARG 32 -2.204 -26.723 34.443 249 HD2 ARG 32 HD2 ARG 32 -1.136 -25.886 36.452 250 HD3 ARG 32 HD1 ARG 32 -1.705 -27.523 36.764 251 HE ARG 32 HE ARG 32 0.987 -27.578 35.845 252 HH11 ARG 32 HH11 ARG 32 2.612 -27.981 37.380 253 HH12 ARG 32 HH12 ARG 32 2.279 -27.757 39.065 254 HH21 ARG 32 HH21 ARG 32 -1.003 -26.760 38.556 255 HH22 ARG 32 HH22 ARG 32 0.232 -27.066 39.731 256 H HIS 33 HN HIS 33 -2.557 -30.037 30.924 257 HA HIS 33 HA HIS 33 -2.474 -32.712 31.815 258 HB2 HIS 33 HB2 HIS 33 -3.923 -32.030 29.960 259 HB3 HIS 33 HB1 HIS 33 -2.507 -31.659 28.970 260 HD2 HIS 33 HD2 HIS 33 -1.586 -33.827 27.526 261 HE1 HIS 33 HE1 HIS 33 -3.576 -36.862 29.683 262 HE2 HIS 33 HE2 HIS 33 -2.100 -36.384 27.673 263 H ASP 34 HN ASP 34 -0.253 -30.892 29.718 264 HA ASP 34 HA ASP 34 1.973 -32.530 30.576 265 HB2 ASP 34 HB2 ASP 34 0.773 -33.761 28.642 266 HB3 ASP 34 HB1 ASP 34 1.409 -32.481 27.612 267 H HIS 35 HN HIS 35 4.022 -31.810 29.434 268 HA HIS 35 HA HIS 35 5.516 -30.095 28.979 269 HB2 HIS 35 HB2 HIS 35 3.132 -28.901 27.538 270 HB3 HIS 35 HB1 HIS 35 4.820 -28.445 27.318 271 HD2 HIS 35 HD2 HIS 35 2.343 -30.934 25.838 272 HE1 HIS 35 HE1 HIS 35 6.174 -32.410 24.855 273 HE2 HIS 35 HE2 HIS 35 3.688 -32.643 24.395 274 H ASP 36 HN ASP 36 4.069 -29.993 31.470 275 HA ASP 36 HA ASP 36 3.049 -27.428 32.029 276 HB2 ASP 36 HB2 ASP 36 4.287 -29.514 33.843 277 HB3 ASP 36 HB1 ASP 36 3.609 -27.999 34.436 278 H LYS 37 HN LYS 37 6.344 -28.680 32.020 279 HA LYS 37 HA LYS 37 7.564 -26.532 33.354 280 HB2 LYS 37 HB2 LYS 37 8.798 -28.596 32.943 281 HB3 LYS 37 HB1 LYS 37 8.721 -28.341 31.204 282 HG2 LYS 37 HG2 LYS 37 10.912 -27.673 32.072 283 HG3 LYS 37 HG1 LYS 37 10.054 -26.265 31.456 284 HD2 LYS 37 HD2 LYS 37 9.557 -25.473 33.636 285 HD3 LYS 37 HD1 LYS 37 9.920 -27.033 34.377 286 HE2 LYS 37 HE2 LYS 37 11.943 -25.231 33.011 287 HE3 LYS 37 HE1 LYS 37 11.729 -25.375 34.756 288 HZ1 LYS 37 HZ1 LYS 37 13.301 -26.946 34.517 289 HZ2 LYS 37 HZ2 LYS 37 12.953 -27.218 32.876 290 HZ3 LYS 37 HZ3 LYS 37 11.990 -27.930 34.081 291 H LYS 38 HN LYS 38 6.584 -26.939 29.989 292 HA LYS 38 HA LYS 38 7.918 -24.680 28.945 293 HB2 LYS 38 HB2 LYS 38 6.943 -26.398 27.475 294 HB3 LYS 38 HB1 LYS 38 5.320 -25.920 27.967 295 HG2 LYS 38 HG2 LYS 38 5.702 -23.657 27.070 296 HG3 LYS 38 HG1 LYS 38 7.341 -24.117 26.602 297 HD2 LYS 38 HD2 LYS 38 6.430 -25.855 25.109 298 HD3 LYS 38 HD1 LYS 38 4.791 -25.401 25.578 299 HE2 LYS 38 HE2 LYS 38 5.158 -23.131 24.689 300 HE3 LYS 38 HE1 LYS 38 6.802 -23.575 24.228 301 HZ1 LYS 38 HZ1 LYS 38 5.983 -24.329 22.331 302 HZ2 LYS 38 HZ2 LYS 38 4.390 -24.030 22.836 303 HZ3 LYS 38 HZ3 LYS 38 5.128 -25.520 23.184 304 H GLU 39 HN GLU 39 4.778 -25.021 30.561 305 HA GLU 39 HA GLU 39 3.866 -22.389 30.037 306 HB2 GLU 39 HB2 GLU 39 3.173 -24.298 32.290 307 HB3 GLU 39 HB1 GLU 39 2.332 -22.782 31.969 308 HG2 GLU 39 HG2 GLU 39 2.650 -24.984 29.916 309 HG3 GLU 39 HG1 GLU 39 1.233 -24.811 30.951 310 H ALA 40 HN ALA 40 6.067 -23.722 32.404 311 HA ALA 40 HA ALA 40 6.012 -21.591 34.267 312 HB1 ALA 40 HB1 ALA 40 7.066 -23.757 34.796 313 HB2 ALA 40 HB2 ALA 40 8.191 -22.422 35.037 314 HB3 ALA 40 HB3 ALA 40 8.328 -23.437 33.603 315 H GLU 41 HN GLU 41 7.435 -21.895 31.123 316 HA GLU 41 HA GLU 41 9.458 -19.937 31.349 317 HB2 GLU 41 HB2 GLU 41 7.884 -20.864 28.927 318 HB3 GLU 41 HB1 GLU 41 9.264 -19.771 28.852 319 HG2 GLU 41 HG2 GLU 41 9.375 -22.506 30.147 320 HG3 GLU 41 HG1 GLU 41 9.833 -22.202 28.472 321 H ARG 42 HN ARG 42 5.990 -19.694 30.719 322 HA ARG 42 HA ARG 42 5.963 -17.002 29.874 323 HB2 ARG 42 HB2 ARG 42 3.822 -18.684 31.204 324 HB3 ARG 42 HB1 ARG 42 3.553 -17.040 30.628 325 HG2 ARG 42 HG2 ARG 42 4.239 -17.707 28.363 326 HG3 ARG 42 HG1 ARG 42 4.535 -19.351 28.928 327 HD2 ARG 42 HD2 ARG 42 2.163 -19.551 29.581 328 HD3 ARG 42 HD1 ARG 42 1.867 -17.914 29.003 329 HE ARG 42 HE ARG 42 2.219 -20.294 27.372 330 HH11 ARG 42 HH11 ARG 42 1.884 -19.988 25.146 331 HH12 ARG 42 HH12 ARG 42 1.808 -18.383 24.500 332 HH21 ARG 42 HH21 ARG 42 2.295 -16.840 27.567 333 HH22 ARG 42 HH22 ARG 42 2.040 -16.600 25.870 334 H LYS 43 HN LYS 43 5.939 -18.468 33.095 335 HA LYS 43 HA LYS 43 5.328 -16.094 34.534 336 HB2 LYS 43 HB2 LYS 43 6.731 -18.645 35.373 337 HB3 LYS 43 HB1 LYS 43 6.326 -17.331 36.477 338 HG2 LYS 43 HG2 LYS 43 3.976 -17.576 36.056 339 HG3 LYS 43 HG1 LYS 43 4.270 -18.659 34.698 340 HD2 LYS 43 HD2 LYS 43 3.607 -20.061 36.515 341 HD3 LYS 43 HD1 LYS 43 5.353 -20.256 36.371 342 HE2 LYS 43 HE2 LYS 43 4.669 -19.978 38.729 343 HE3 LYS 43 HE1 LYS 43 5.690 -18.643 38.214 344 HZ1 LYS 43 HZ1 LYS 43 3.182 -18.469 39.314 345 HZ2 LYS 43 HZ2 LYS 43 2.947 -18.127 37.666 346 HZ3 LYS 43 HZ3 LYS 43 4.050 -17.211 38.577 347 H ALA 44 HN ALA 44 8.227 -17.269 33.055 348 HA ALA 44 HA ALA 44 10.156 -15.943 34.628 349 HB1 ALA 44 HB1 ALA 44 10.281 -16.554 31.657 350 HB2 ALA 44 HB2 ALA 44 10.779 -17.643 32.955 351 HB3 ALA 44 HB3 ALA 44 11.650 -16.135 32.686 352 H LEU 45 HN LEU 45 7.901 -14.744 32.291 353 HA LEU 45 HA LEU 45 9.246 -12.344 31.593 354 HB2 LEU 45 HB2 LEU 45 6.291 -13.025 31.589 355 HB3 LEU 45 HB1 LEU 45 6.967 -11.545 30.918 356 HG LEU 45 HG LEU 45 7.795 -14.332 30.056 357 HD11 LEU 45 HD11 LEU 45 5.428 -13.857 29.509 358 HD12 LEU 45 HD12 LEU 45 6.425 -13.926 28.057 359 HD13 LEU 45 HD13 LEU 45 5.921 -12.367 28.706 360 HD21 LEU 45 HD21 LEU 45 8.554 -11.536 29.225 361 HD22 LEU 45 HD22 LEU 45 8.521 -12.802 27.998 362 HD23 LEU 45 HD23 LEU 45 9.571 -12.967 29.400 363 H GLU 46 HN GLU 46 7.317 -13.297 34.343 364 HA GLU 46 HA GLU 46 6.669 -10.724 35.303 365 HB2 GLU 46 HB2 GLU 46 5.573 -12.744 36.186 366 HB3 GLU 46 HB1 GLU 46 7.090 -13.271 36.910 367 HG2 GLU 46 HG2 GLU 46 5.703 -12.181 38.597 368 HG3 GLU 46 HG1 GLU 46 7.124 -11.192 38.286 369 H ASP 47 HN ASP 47 9.562 -12.732 35.714 370 HA ASP 47 HA ASP 47 10.794 -11.166 37.709 371 HB2 ASP 47 HB2 ASP 47 11.976 -12.982 35.592 372 HB3 ASP 47 HB1 ASP 47 12.945 -12.168 36.816 373 H LYS 48 HN LYS 48 10.723 -10.847 34.183 374 HA LYS 48 HA LYS 48 12.736 -8.878 33.973 375 HB2 LYS 48 HB2 LYS 48 11.896 -10.072 31.993 376 HB3 LYS 48 HB1 LYS 48 10.329 -9.282 32.161 377 HG2 LYS 48 HG2 LYS 48 11.387 -7.083 31.854 378 HG3 LYS 48 HG1 LYS 48 12.970 -7.855 31.729 379 HD2 LYS 48 HD2 LYS 48 12.242 -9.072 29.730 380 HD3 LYS 48 HD1 LYS 48 10.630 -8.370 29.869 381 HE2 LYS 48 HE2 LYS 48 11.943 -7.124 28.214 382 HE3 LYS 48 HE1 LYS 48 11.615 -6.104 29.615 383 HZ1 LYS 48 HZ1 LYS 48 14.127 -7.576 29.038 384 HZ2 LYS 48 HZ2 LYS 48 13.816 -6.744 30.486 385 HZ3 LYS 48 HZ3 LYS 48 13.907 -5.893 29.017 386 H LEU 49 HN LEU 49 9.260 -8.631 34.655 387 HA LEU 49 HA LEU 49 9.321 -5.730 34.643 388 HB2 LEU 49 HB2 LEU 49 7.176 -7.651 35.591 389 HB3 LEU 49 HB1 LEU 49 6.983 -5.913 35.384 390 HG LEU 49 HG LEU 49 7.714 -7.855 33.170 391 HD11 LEU 49 HD11 LEU 49 5.380 -7.212 32.363 392 HD12 LEU 49 HD12 LEU 49 5.110 -6.533 33.968 393 HD13 LEU 49 HD13 LEU 49 5.436 -8.257 33.781 394 HD21 LEU 49 HD21 LEU 49 7.370 -4.863 33.320 395 HD22 LEU 49 HD22 LEU 49 6.943 -5.704 31.829 396 HD23 LEU 49 HD23 LEU 49 8.584 -5.803 32.452 397 H ALA 50 HN ALA 50 10.209 -8.158 36.794 398 HA ALA 50 HA ALA 50 9.550 -6.697 39.234 399 HB1 ALA 50 HB1 ALA 50 10.490 -8.556 40.419 400 HB2 ALA 50 HB2 ALA 50 11.283 -9.164 38.966 401 HB3 ALA 50 HB3 ALA 50 9.524 -9.218 39.102 402 H ASP 51 HN ASP 51 11.917 -6.450 36.909 403 HA ASP 51 HA ASP 51 14.159 -5.908 38.668 404 HB2 ASP 51 HB2 ASP 51 15.376 -5.393 36.640 405 HB3 ASP 51 HB1 ASP 51 14.459 -6.879 36.399 406 H TYR 52 HN TYR 52 11.419 -4.223 38.048 407 HA TYR 52 HA TYR 52 12.712 -1.570 37.943 408 HB2 TYR 52 HB2 TYR 52 9.805 -2.384 37.691 409 HB3 TYR 52 HB1 TYR 52 10.386 -0.721 37.657 410 HD1 TYR 52 HD1 TYR 52 10.020 -3.813 35.784 411 HD2 TYR 52 HD2 TYR 52 11.960 0.017 35.844 412 HE1 TYR 52 HE1 TYR 52 10.540 -4.041 33.370 413 HE2 TYR 52 HE2 TYR 52 12.480 -0.209 33.430 414 HH TYR 52 HH TYR 52 12.475 -2.973 31.801 Start of MODEL 19 1 H1 GLY 1 HT1 GLY 1 -42.763 -3.388 13.855 2 H2 GLY 1 HT2 GLY 1 -42.962 -4.451 12.546 3 H3 GLY 1 HT3 GLY 1 -41.659 -3.362 12.569 4 HA2 GLY 1 HA2 GLY 1 -41.932 -5.309 14.752 5 HA3 GLY 1 HA1 GLY 1 -41.278 -5.835 13.201 6 H SER 2 HN SER 2 -40.962 -2.674 14.782 7 HA SER 2 HA SER 2 -38.203 -2.440 14.212 8 HB2 SER 2 HB2 SER 2 -38.263 -0.484 15.668 9 HB3 SER 2 HB1 SER 2 -39.697 -0.512 14.646 10 HG SER 2 HG SER 2 -39.551 -0.484 17.297 11 H VAL 3 HN VAL 3 -39.931 -3.989 16.769 12 HA VAL 3 HA VAL 3 -37.916 -3.961 18.758 13 HB VAL 3 HB VAL 3 -40.234 -5.859 18.294 14 HG11 VAL 3 HG11 VAL 3 -38.135 -5.807 20.477 15 HG12 VAL 3 HG12 VAL 3 -38.603 -7.172 19.462 16 HG13 VAL 3 HG13 VAL 3 -39.713 -6.565 20.690 17 HG21 VAL 3 HG21 VAL 3 -40.576 -3.420 19.030 18 HG22 VAL 3 HG22 VAL 3 -39.743 -3.863 20.517 19 HG23 VAL 3 HG23 VAL 3 -41.258 -4.655 20.087 20 H GLU 4 HN GLU 4 -38.560 -6.176 16.058 21 HA GLU 4 HA GLU 4 -36.656 -8.130 16.776 22 HB2 GLU 4 HB2 GLU 4 -37.812 -7.381 14.076 23 HB3 GLU 4 HB1 GLU 4 -36.711 -8.736 14.322 24 HG2 GLU 4 HG2 GLU 4 -38.242 -9.785 15.871 25 HG3 GLU 4 HG1 GLU 4 -39.301 -8.377 15.846 26 H LYS 5 HN LYS 5 -36.356 -5.106 14.955 27 HA LYS 5 HA LYS 5 -33.743 -5.525 13.969 28 HB2 LYS 5 HB2 LYS 5 -35.192 -3.683 13.173 29 HB3 LYS 5 HB1 LYS 5 -35.049 -2.898 14.747 30 HG2 LYS 5 HG2 LYS 5 -32.614 -2.705 14.448 31 HG3 LYS 5 HG1 LYS 5 -32.733 -3.530 12.893 32 HD2 LYS 5 HD2 LYS 5 -34.179 -1.723 12.041 33 HD3 LYS 5 HD1 LYS 5 -34.066 -0.899 13.596 34 HE2 LYS 5 HE2 LYS 5 -31.625 -0.704 13.327 35 HE3 LYS 5 HE1 LYS 5 -31.727 -1.538 11.776 36 HZ1 LYS 5 HZ1 LYS 5 -33.340 0.876 12.272 37 HZ2 LYS 5 HZ2 LYS 5 -32.806 0.228 10.794 38 HZ3 LYS 5 HZ3 LYS 5 -31.710 1.022 11.822 39 H LEU 6 HN LEU 6 -34.926 -4.105 16.994 40 HA LEU 6 HA LEU 6 -32.396 -3.374 18.021 41 HB2 LEU 6 HB2 LEU 6 -35.000 -3.997 19.443 42 HB3 LEU 6 HB1 LEU 6 -33.564 -3.386 20.256 43 HG LEU 6 HG LEU 6 -34.901 -1.996 17.915 44 HD11 LEU 6 HD11 LEU 6 -35.118 -1.409 20.883 45 HD12 LEU 6 HD12 LEU 6 -36.393 -2.107 19.885 46 HD13 LEU 6 HD13 LEU 6 -35.842 -0.459 19.586 47 HD21 LEU 6 HD21 LEU 6 -32.748 -1.100 17.973 48 HD22 LEU 6 HD22 LEU 6 -32.555 -1.379 19.703 49 HD23 LEU 6 HD23 LEU 6 -33.547 -0.041 19.130 50 H THR 7 HN THR 7 -34.214 -6.405 18.148 51 HA THR 7 HA THR 7 -32.624 -7.682 20.102 52 HB THR 7 HB THR 7 -34.216 -8.884 17.831 53 HG1 THR 7 HG1 THR 7 -34.922 -8.736 20.547 54 HG21 THR 7 HG21 THR 7 -32.956 -10.070 20.308 55 HG22 THR 7 HG22 THR 7 -32.674 -10.536 18.630 56 HG23 THR 7 HG23 THR 7 -34.226 -10.883 19.393 57 H ALA 8 HN ALA 8 -32.317 -7.472 16.559 58 HA ALA 8 HA ALA 8 -30.170 -9.322 16.345 59 HB1 ALA 8 HB1 ALA 8 -30.832 -6.995 14.509 60 HB2 ALA 8 HB2 ALA 8 -31.513 -8.619 14.384 61 HB3 ALA 8 HB3 ALA 8 -29.789 -8.363 14.125 62 H ASP 9 HN ASP 9 -30.387 -6.067 17.415 63 HA ASP 9 HA ASP 9 -27.728 -5.228 16.884 64 HB2 ASP 9 HB2 ASP 9 -29.564 -3.664 17.563 65 HB3 ASP 9 HB1 ASP 9 -29.446 -4.299 19.203 66 H ALA 10 HN ALA 10 -29.138 -7.111 19.510 67 HA ALA 10 HA ALA 10 -26.954 -6.988 21.285 68 HB1 ALA 10 HB1 ALA 10 -27.841 -9.209 22.156 69 HB2 ALA 10 HB2 ALA 10 -29.091 -9.105 20.917 70 HB3 ALA 10 HB3 ALA 10 -28.980 -7.866 22.167 71 H GLU 11 HN GLU 11 -27.558 -9.071 18.482 72 HA GLU 11 HA GLU 11 -25.420 -10.867 18.959 73 HB2 GLU 11 HB2 GLU 11 -26.839 -10.100 16.394 74 HB3 GLU 11 HB1 GLU 11 -25.560 -11.310 16.463 75 HG2 GLU 11 HG2 GLU 11 -26.831 -12.668 18.001 76 HG3 GLU 11 HG1 GLU 11 -28.057 -11.415 18.175 77 H LEU 12 HN LEU 12 -25.582 -7.717 17.369 78 HA LEU 12 HA LEU 12 -22.979 -7.782 16.247 79 HB2 LEU 12 HB2 LEU 12 -24.752 -5.449 17.020 80 HB3 LEU 12 HB1 LEU 12 -23.191 -5.257 16.235 81 HG LEU 12 HG LEU 12 -25.444 -6.946 15.101 82 HD11 LEU 12 HD11 LEU 12 -24.614 -4.132 14.335 83 HD12 LEU 12 HD12 LEU 12 -26.045 -4.529 15.286 84 HD13 LEU 12 HD13 LEU 12 -25.918 -5.078 13.614 85 HD21 LEU 12 HD21 LEU 12 -22.695 -6.138 14.160 86 HD22 LEU 12 HD22 LEU 12 -23.972 -6.355 12.966 87 HD23 LEU 12 HD23 LEU 12 -23.515 -7.691 14.013 88 H GLN 13 HN GLN 13 -24.195 -6.885 19.430 89 HA GLN 13 HA GLN 13 -21.819 -5.669 20.373 90 HB2 GLN 13 HB2 GLN 13 -24.106 -6.981 21.864 91 HB3 GLN 13 HB1 GLN 13 -22.744 -6.208 22.670 92 HG2 GLN 13 HG2 GLN 13 -23.236 -4.099 21.488 93 HG3 GLN 13 HG1 GLN 13 -24.607 -4.864 20.688 94 HE21 GLN 13 HE21 GLN 13 -26.377 -3.825 21.683 95 HE22 GLN 13 HE22 GLN 13 -26.635 -3.799 23.361 96 H ARG 14 HN ARG 14 -22.880 -9.040 20.260 97 HA ARG 14 HA ARG 14 -20.867 -10.092 21.947 98 HB2 ARG 14 HB2 ARG 14 -22.328 -11.411 19.638 99 HB3 ARG 14 HB1 ARG 14 -21.371 -12.256 20.848 100 HG2 ARG 14 HG2 ARG 14 -23.717 -10.494 21.587 101 HG3 ARG 14 HG1 ARG 14 -23.901 -12.210 21.235 102 HD2 ARG 14 HD2 ARG 14 -22.153 -12.656 23.023 103 HD3 ARG 14 HD1 ARG 14 -22.273 -10.957 23.463 104 HE ARG 14 HE ARG 14 -24.866 -12.043 23.427 105 HH11 ARG 14 HH11 ARG 14 -25.840 -12.604 25.402 106 HH12 ARG 14 HH12 ARG 14 -24.854 -12.877 26.800 107 HH21 ARG 14 HH21 ARG 14 -21.872 -12.247 25.149 108 HH22 ARG 14 HH22 ARG 14 -22.608 -12.675 26.656 109 H LEU 15 HN LEU 15 -20.836 -9.021 18.640 110 HA LEU 15 HA LEU 15 -18.557 -10.440 17.764 111 HB2 LEU 15 HB2 LEU 15 -20.013 -9.292 16.160 112 HB3 LEU 15 HB1 LEU 15 -19.566 -7.727 16.831 113 HG LEU 15 HG LEU 15 -17.207 -8.132 16.187 114 HD11 LEU 15 HD11 LEU 15 -16.972 -10.107 14.460 115 HD12 LEU 15 HD12 LEU 15 -18.363 -10.774 15.312 116 HD13 LEU 15 HD13 LEU 15 -16.865 -10.449 16.184 117 HD21 LEU 15 HD21 LEU 15 -18.888 -7.039 14.647 118 HD22 LEU 15 HD22 LEU 15 -19.085 -8.603 13.856 119 HD23 LEU 15 HD23 LEU 15 -17.522 -7.786 13.819 120 H LYS 16 HN LYS 16 -18.911 -7.380 19.519 121 HA LYS 16 HA LYS 16 -16.139 -6.685 19.416 122 HB2 LYS 16 HB2 LYS 16 -18.277 -5.844 21.396 123 HB3 LYS 16 HB1 LYS 16 -16.712 -5.067 21.180 124 HG2 LYS 16 HG2 LYS 16 -18.760 -5.319 18.962 125 HG3 LYS 16 HG1 LYS 16 -18.647 -3.913 20.016 126 HD2 LYS 16 HD2 LYS 16 -16.226 -3.687 19.293 127 HD3 LYS 16 HD1 LYS 16 -16.540 -4.933 18.087 128 HE2 LYS 16 HE2 LYS 16 -18.342 -3.568 17.120 129 HE3 LYS 16 HE1 LYS 16 -18.036 -2.312 18.318 130 HZ1 LYS 16 HZ1 LYS 16 -16.403 -3.133 16.024 131 HZ2 LYS 16 HZ2 LYS 16 -15.620 -2.512 17.398 132 HZ3 LYS 16 HZ3 LYS 16 -16.777 -1.574 16.580 133 H ASN 17 HN ASN 17 -17.989 -8.912 21.245 134 HA ASN 17 HA ASN 17 -15.949 -9.131 23.363 135 HB2 ASN 17 HB2 ASN 17 -18.691 -10.375 23.039 136 HB3 ASN 17 HB1 ASN 17 -17.579 -10.781 24.344 137 HD21 ASN 17 HD21 ASN 17 -20.154 -9.515 24.789 138 HD22 ASN 17 HD22 ASN 17 -19.855 -7.972 25.428 139 H GLU 18 HN GLU 18 -16.086 -10.144 20.351 140 HA GLU 18 HA GLU 18 -15.864 -12.957 20.465 141 HB2 GLU 18 HB2 GLU 18 -16.220 -11.762 18.335 142 HB3 GLU 18 HB1 GLU 18 -14.598 -11.082 18.436 143 HG2 GLU 18 HG2 GLU 18 -13.627 -13.335 18.387 144 HG3 GLU 18 HG1 GLU 18 -15.240 -14.042 18.355 145 H ALA 19 HN ALA 19 -13.468 -10.386 20.900 146 HA ALA 19 HA ALA 19 -11.176 -12.027 20.876 147 HB1 ALA 19 HB1 ALA 19 -10.806 -9.677 20.738 148 HB2 ALA 19 HB2 ALA 19 -10.132 -10.189 22.282 149 HB3 ALA 19 HB3 ALA 19 -11.688 -9.366 22.234 150 H ALA 20 HN ALA 20 -13.476 -11.258 23.452 151 HA ALA 20 HA ALA 20 -11.987 -12.324 25.595 152 HB1 ALA 20 HB1 ALA 20 -14.251 -12.640 26.705 153 HB2 ALA 20 HB2 ALA 20 -14.979 -12.009 25.228 154 HB3 ALA 20 HB3 ALA 20 -13.882 -11.001 26.173 155 H GLU 21 HN GLU 21 -14.107 -13.868 23.220 156 HA GLU 21 HA GLU 21 -14.268 -16.386 24.490 157 HB2 GLU 21 HB2 GLU 21 -15.767 -15.768 22.632 158 HB3 GLU 21 HB1 GLU 21 -14.407 -15.798 21.511 159 HG2 GLU 21 HG2 GLU 21 -14.033 -18.174 21.997 160 HG3 GLU 21 HG1 GLU 21 -15.348 -18.153 23.171 161 H GLU 22 HN GLU 22 -11.850 -14.990 22.307 162 HA GLU 22 HA GLU 22 -10.400 -17.368 21.842 163 HB2 GLU 22 HB2 GLU 22 -9.532 -14.464 21.775 164 HB3 GLU 22 HB1 GLU 22 -8.479 -15.805 21.326 165 HG2 GLU 22 HG2 GLU 22 -9.999 -16.495 19.574 166 HG3 GLU 22 HG1 GLU 22 -11.199 -15.309 20.089 167 H ALA 23 HN ALA 23 -10.292 -15.008 24.472 168 HA ALA 23 HA ALA 23 -7.897 -15.905 25.675 169 HB1 ALA 23 HB1 ALA 23 -8.712 -14.810 27.723 170 HB2 ALA 23 HB2 ALA 23 -10.311 -14.638 27.005 171 HB3 ALA 23 HB3 ALA 23 -8.936 -13.773 26.315 172 H GLU 24 HN GLU 24 -11.104 -17.218 25.624 173 HA GLU 24 HA GLU 24 -10.982 -18.793 27.966 174 HB2 GLU 24 HB2 GLU 24 -13.103 -18.372 26.786 175 HB3 GLU 24 HB1 GLU 24 -12.558 -19.361 25.434 176 HG2 GLU 24 HG2 GLU 24 -12.387 -21.317 26.903 177 HG3 GLU 24 HG1 GLU 24 -12.860 -20.335 28.287 178 H LEU 25 HN LEU 25 -9.850 -19.426 24.660 179 HA LEU 25 HA LEU 25 -9.340 -22.171 25.007 180 HB2 LEU 25 HB2 LEU 25 -9.355 -21.175 22.778 181 HB3 LEU 25 HB1 LEU 25 -7.932 -20.211 23.159 182 HG LEU 25 HG LEU 25 -6.620 -22.288 23.488 183 HD11 LEU 25 HD11 LEU 25 -7.833 -24.405 22.498 184 HD12 LEU 25 HD12 LEU 25 -9.307 -23.544 22.941 185 HD13 LEU 25 HD13 LEU 25 -8.118 -23.956 24.178 186 HD21 LEU 25 HD21 LEU 25 -6.559 -21.301 21.291 187 HD22 LEU 25 HD22 LEU 25 -8.127 -21.995 20.876 188 HD23 LEU 25 HD23 LEU 25 -6.722 -23.044 21.071 189 H GLU 26 HN GLU 26 -7.301 -19.335 25.715 190 HA GLU 26 HA GLU 26 -4.976 -20.819 26.364 191 HB2 GLU 26 HB2 GLU 26 -5.870 -18.045 27.213 192 HB3 GLU 26 HB1 GLU 26 -4.313 -18.742 27.649 193 HG2 GLU 26 HG2 GLU 26 -3.836 -17.521 25.695 194 HG3 GLU 26 HG1 GLU 26 -4.014 -19.169 25.104 195 H ARG 27 HN ARG 27 -7.806 -19.864 28.251 196 HA ARG 27 HA ARG 27 -6.779 -20.560 30.790 197 HB2 ARG 27 HB2 ARG 27 -9.631 -20.434 29.770 198 HB3 ARG 27 HB1 ARG 27 -9.207 -20.761 31.450 199 HG2 ARG 27 HG2 ARG 27 -8.057 -18.633 31.633 200 HG3 ARG 27 HG1 ARG 27 -8.289 -18.316 29.915 201 HD2 ARG 27 HD2 ARG 27 -9.963 -17.091 31.211 202 HD3 ARG 27 HD1 ARG 27 -10.747 -18.350 30.260 203 HE ARG 27 HE ARG 27 -10.086 -19.313 32.864 204 HH11 ARG 27 HH11 ARG 27 -11.795 -19.577 34.337 205 HH12 ARG 27 HH12 ARG 27 -13.306 -18.778 34.054 206 HH21 ARG 27 HH21 ARG 27 -12.266 -17.280 31.105 207 HH22 ARG 27 HH22 ARG 27 -13.573 -17.478 32.224 208 H LEU 28 HN LEU 28 -8.326 -22.468 28.252 209 HA LEU 28 HA LEU 28 -8.776 -24.793 29.781 210 HB2 LEU 28 HB2 LEU 28 -9.834 -24.501 27.593 211 HB3 LEU 28 HB1 LEU 28 -8.268 -24.560 26.792 212 HG LEU 28 HG LEU 28 -7.937 -26.871 27.625 213 HD11 LEU 28 HD11 LEU 28 -10.177 -27.946 28.501 214 HD12 LEU 28 HD12 LEU 28 -10.575 -26.292 28.965 215 HD13 LEU 28 HD13 LEU 28 -9.140 -27.075 29.627 216 HD21 LEU 28 HD21 LEU 28 -9.880 -27.888 26.297 217 HD22 LEU 28 HD22 LEU 28 -8.888 -26.705 25.444 218 HD23 LEU 28 HD23 LEU 28 -10.464 -26.238 26.086 219 H LYS 29 HN LYS 29 -5.917 -23.670 28.001 220 HA LYS 29 HA LYS 29 -4.422 -26.051 28.230 221 HB2 LYS 29 HB2 LYS 29 -3.729 -24.256 26.703 222 HB3 LYS 29 HB1 LYS 29 -3.379 -23.207 28.077 223 HG2 LYS 29 HG2 LYS 29 -1.629 -24.663 28.849 224 HG3 LYS 29 HG1 LYS 29 -2.093 -25.921 27.704 225 HD2 LYS 29 HD2 LYS 29 -0.164 -24.841 26.779 226 HD3 LYS 29 HD1 LYS 29 -1.547 -24.273 25.845 227 HE2 LYS 29 HE2 LYS 29 -1.597 -22.185 27.070 228 HE3 LYS 29 HE1 LYS 29 -0.370 -22.764 28.198 229 HZ1 LYS 29 HZ1 LYS 29 0.450 -21.284 26.379 230 HZ2 LYS 29 HZ2 LYS 29 0.080 -22.522 25.277 231 HZ3 LYS 29 HZ3 LYS 29 1.243 -22.778 26.490 232 H SER 30 HN SER 30 -4.837 -23.318 30.450 233 HA SER 30 HA SER 30 -2.823 -24.048 32.281 234 HB2 SER 30 HB2 SER 30 -5.392 -22.501 32.722 235 HB3 SER 30 HB1 SER 30 -4.125 -22.683 33.928 236 HG SER 30 HG SER 30 -3.538 -21.785 31.323 237 H GLU 31 HN GLU 31 -6.183 -25.106 31.928 238 HA GLU 31 HA GLU 31 -6.391 -26.460 34.394 239 HB2 GLU 31 HB2 GLU 31 -7.817 -26.906 31.756 240 HB3 GLU 31 HB1 GLU 31 -8.196 -27.797 33.230 241 HG2 GLU 31 HG2 GLU 31 -8.751 -25.754 34.399 242 HG3 GLU 31 HG1 GLU 31 -8.200 -24.776 33.040 243 H ARG 32 HN ARG 32 -5.055 -27.446 31.268 244 HA ARG 32 HA ARG 32 -3.865 -29.333 30.643 245 HB2 ARG 32 HB2 ARG 32 -3.218 -29.279 33.602 246 HB3 ARG 32 HB1 ARG 32 -2.392 -30.285 32.412 247 HG2 ARG 32 HG2 ARG 32 -1.738 -28.259 31.156 248 HG3 ARG 32 HG1 ARG 32 -2.547 -27.256 32.360 249 HD2 ARG 32 HD2 ARG 32 -1.050 -28.174 34.110 250 HD3 ARG 32 HD1 ARG 32 -0.222 -29.130 32.884 251 HE ARG 32 HE ARG 32 0.048 -26.273 33.329 252 HH11 ARG 32 HH11 ARG 32 1.631 -25.250 32.062 253 HH12 ARG 32 HH12 ARG 32 2.314 -26.079 30.702 254 HH21 ARG 32 HH21 ARG 32 0.420 -28.946 31.164 255 HH22 ARG 32 HH22 ARG 32 1.627 -28.171 30.194 256 H HIS 33 HN HIS 33 -6.566 -29.798 30.976 257 HA HIS 33 HA HIS 33 -7.103 -32.015 32.686 258 HB2 HIS 33 HB2 HIS 33 -9.228 -32.163 31.516 259 HB3 HIS 33 HB1 HIS 33 -8.857 -30.465 31.810 260 HD2 HIS 33 HD2 HIS 33 -9.521 -32.822 28.821 261 HE1 HIS 33 HE1 HIS 33 -8.141 -29.173 27.210 262 HE2 HIS 33 HE2 HIS 33 -9.189 -31.416 26.647 263 H ASP 34 HN ASP 34 -8.284 -33.999 31.269 264 HA ASP 34 HA ASP 34 -6.008 -35.267 29.952 265 HB2 ASP 34 HB2 ASP 34 -7.351 -36.541 31.592 266 HB3 ASP 34 HB1 ASP 34 -8.765 -36.375 30.549 267 H HIS 35 HN HIS 35 -5.689 -34.825 27.876 268 HA HIS 35 HA HIS 35 -7.725 -33.904 26.106 269 HB2 HIS 35 HB2 HIS 35 -6.005 -33.991 24.394 270 HB3 HIS 35 HB1 HIS 35 -5.321 -33.322 25.876 271 HD2 HIS 35 HD2 HIS 35 -4.756 -36.320 23.503 272 HE1 HIS 35 HE1 HIS 35 -2.343 -36.983 26.904 273 HE2 HIS 35 HE2 HIS 35 -2.849 -37.771 24.544 274 H ASP 36 HN ASP 36 -6.910 -37.017 27.175 275 HA ASP 36 HA ASP 36 -7.488 -38.478 24.774 276 HB2 ASP 36 HB2 ASP 36 -7.401 -39.328 27.677 277 HB3 ASP 36 HB1 ASP 36 -7.711 -40.436 26.345 278 H LYS 37 HN LYS 37 -9.435 -36.758 26.907 279 HA LYS 37 HA LYS 37 -11.741 -38.372 27.064 280 HB2 LYS 37 HB2 LYS 37 -11.410 -35.365 27.169 281 HB3 LYS 37 HB1 LYS 37 -12.943 -36.193 27.442 282 HG2 LYS 37 HG2 LYS 37 -12.066 -37.385 29.333 283 HG3 LYS 37 HG1 LYS 37 -10.423 -36.863 28.974 284 HD2 LYS 37 HD2 LYS 37 -11.207 -35.494 30.787 285 HD3 LYS 37 HD1 LYS 37 -11.202 -34.479 29.346 286 HE2 LYS 37 HE2 LYS 37 -13.594 -34.738 29.078 287 HE3 LYS 37 HE1 LYS 37 -13.655 -35.943 30.364 288 HZ1 LYS 37 HZ1 LYS 37 -13.440 -34.377 31.965 289 HZ2 LYS 37 HZ2 LYS 37 -14.180 -33.405 30.784 290 HZ3 LYS 37 HZ3 LYS 37 -12.497 -33.342 31.006 291 H LYS 38 HN LYS 38 -10.496 -36.384 24.467 292 HA LYS 38 HA LYS 38 -12.870 -35.984 23.016 293 HB2 LYS 38 HB2 LYS 38 -11.455 -35.595 21.086 294 HB3 LYS 38 HB1 LYS 38 -10.695 -34.875 22.502 295 HG2 LYS 38 HG2 LYS 38 -9.265 -36.902 22.731 296 HG3 LYS 38 HG1 LYS 38 -9.988 -37.558 21.265 297 HD2 LYS 38 HD2 LYS 38 -9.195 -35.608 19.987 298 HD3 LYS 38 HD1 LYS 38 -8.458 -34.949 21.449 299 HE2 LYS 38 HE2 LYS 38 -7.018 -36.943 21.629 300 HE3 LYS 38 HE1 LYS 38 -7.753 -37.607 20.170 301 HZ1 LYS 38 HZ1 LYS 38 -6.112 -36.545 19.120 302 HZ2 LYS 38 HZ2 LYS 38 -5.760 -35.547 20.450 303 HZ3 LYS 38 HZ3 LYS 38 -7.018 -35.136 19.386 304 H GLU 39 HN GLU 39 -10.990 -38.819 23.554 305 HA GLU 39 HA GLU 39 -11.752 -40.311 21.261 306 HB2 GLU 39 HB2 GLU 39 -10.918 -41.251 24.021 307 HB3 GLU 39 HB1 GLU 39 -11.088 -42.294 22.610 308 HG2 GLU 39 HG2 GLU 39 -9.272 -39.872 22.701 309 HG3 GLU 39 HG1 GLU 39 -8.731 -41.519 23.024 310 H ALA 40 HN ALA 40 -13.365 -39.527 24.235 311 HA ALA 40 HA ALA 40 -15.262 -41.626 24.286 312 HB1 ALA 40 HB1 ALA 40 -15.582 -38.785 25.304 313 HB2 ALA 40 HB2 ALA 40 -14.919 -40.139 26.221 314 HB3 ALA 40 HB3 ALA 40 -16.609 -40.155 25.722 315 H GLU 41 HN GLU 41 -14.972 -38.807 22.302 316 HA GLU 41 HA GLU 41 -17.671 -38.494 21.538 317 HB2 GLU 41 HB2 GLU 41 -15.104 -37.818 20.076 318 HB3 GLU 41 HB1 GLU 41 -16.707 -37.416 19.464 319 HG2 GLU 41 HG2 GLU 41 -17.189 -36.080 21.423 320 HG3 GLU 41 HG1 GLU 41 -15.692 -36.598 22.197 321 H ARG 42 HN ARG 42 -15.127 -40.661 20.378 322 HA ARG 42 HA ARG 42 -16.457 -41.561 18.057 323 HB2 ARG 42 HB2 ARG 42 -14.365 -42.903 19.792 324 HB3 ARG 42 HB1 ARG 42 -14.978 -43.594 18.291 325 HG2 ARG 42 HG2 ARG 42 -14.276 -41.588 17.059 326 HG3 ARG 42 HG1 ARG 42 -13.685 -40.866 18.556 327 HD2 ARG 42 HD2 ARG 42 -12.084 -42.720 18.825 328 HD3 ARG 42 HD1 ARG 42 -12.677 -43.452 17.337 329 HE ARG 42 HE ARG 42 -11.875 -40.809 16.774 330 HH11 ARG 42 HH11 ARG 42 -9.855 -40.461 15.796 331 HH12 ARG 42 HH12 ARG 42 -8.629 -41.680 15.894 332 HH21 ARG 42 HH21 ARG 42 -10.586 -43.872 17.737 333 HH22 ARG 42 HH22 ARG 42 -9.043 -43.613 16.993 334 H LYS 43 HN LYS 43 -16.641 -42.569 21.440 335 HA LYS 43 HA LYS 43 -18.112 -44.945 21.051 336 HB2 LYS 43 HB2 LYS 43 -16.989 -44.465 23.178 337 HB3 LYS 43 HB1 LYS 43 -18.101 -43.129 23.476 338 HG2 LYS 43 HG2 LYS 43 -19.985 -44.614 23.602 339 HG3 LYS 43 HG1 LYS 43 -19.032 -45.969 23.001 340 HD2 LYS 43 HD2 LYS 43 -19.221 -46.267 25.375 341 HD3 LYS 43 HD1 LYS 43 -17.575 -45.721 25.068 342 HE2 LYS 43 HE2 LYS 43 -18.134 -43.459 25.738 343 HE3 LYS 43 HE1 LYS 43 -19.846 -43.870 25.854 344 HZ1 LYS 43 HZ1 LYS 43 -18.703 -45.707 27.446 345 HZ2 LYS 43 HZ2 LYS 43 -19.362 -44.239 27.989 346 HZ3 LYS 43 HZ3 LYS 43 -17.692 -44.371 27.707 347 H ALA 44 HN ALA 44 -19.179 -41.581 21.377 348 HA ALA 44 HA ALA 44 -21.916 -42.072 21.786 349 HB1 ALA 44 HB1 ALA 44 -20.955 -39.834 22.063 350 HB2 ALA 44 HB2 ALA 44 -22.292 -39.796 20.915 351 HB3 ALA 44 HB3 ALA 44 -20.631 -39.743 20.329 352 H LEU 45 HN LEU 45 -19.986 -42.454 18.958 353 HA LEU 45 HA LEU 45 -22.009 -42.179 16.990 354 HB2 LEU 45 HB2 LEU 45 -19.427 -43.769 16.949 355 HB3 LEU 45 HB1 LEU 45 -20.466 -43.528 15.549 356 HG LEU 45 HG LEU 45 -19.254 -41.270 17.172 357 HD11 LEU 45 HD11 LEU 45 -18.382 -42.428 14.507 358 HD12 LEU 45 HD12 LEU 45 -17.522 -42.621 16.034 359 HD13 LEU 45 HD13 LEU 45 -17.673 -41.023 15.303 360 HD21 LEU 45 HD21 LEU 45 -19.819 -40.123 14.835 361 HD22 LEU 45 HD22 LEU 45 -21.064 -40.293 16.066 362 HD23 LEU 45 HD23 LEU 45 -21.000 -41.429 14.720 363 H GLU 46 HN GLU 46 -21.127 -44.758 19.160 364 HA GLU 46 HA GLU 46 -22.354 -46.920 17.826 365 HB2 GLU 46 HB2 GLU 46 -20.828 -47.208 19.765 366 HB3 GLU 46 HB1 GLU 46 -22.073 -46.544 20.824 367 HG2 GLU 46 HG2 GLU 46 -23.602 -48.357 20.201 368 HG3 GLU 46 HG1 GLU 46 -22.401 -49.004 19.086 369 H ASP 47 HN ASP 47 -23.668 -44.316 19.734 370 HA ASP 47 HA ASP 47 -26.177 -45.460 20.365 371 HB2 ASP 47 HB2 ASP 47 -25.309 -42.581 20.038 372 HB3 ASP 47 HB1 ASP 47 -26.921 -43.052 20.569 373 H LYS 48 HN LYS 48 -24.882 -44.596 17.371 374 HA LYS 48 HA LYS 48 -27.054 -43.497 15.994 375 HB2 LYS 48 HB2 LYS 48 -26.001 -44.280 13.963 376 HB3 LYS 48 HB1 LYS 48 -24.738 -43.750 15.070 377 HG2 LYS 48 HG2 LYS 48 -24.408 -46.128 15.774 378 HG3 LYS 48 HG1 LYS 48 -25.605 -46.621 14.579 379 HD2 LYS 48 HD2 LYS 48 -24.238 -45.639 12.782 380 HD3 LYS 48 HD1 LYS 48 -23.028 -45.149 13.969 381 HE2 LYS 48 HE2 LYS 48 -22.682 -47.508 14.600 382 HE3 LYS 48 HE1 LYS 48 -23.892 -48.003 13.416 383 HZ1 LYS 48 HZ1 LYS 48 -21.342 -47.936 12.838 384 HZ2 LYS 48 HZ2 LYS 48 -21.695 -46.310 12.494 385 HZ3 LYS 48 HZ3 LYS 48 -22.523 -47.552 11.682 386 H LEU 49 HN LEU 49 -26.591 -46.670 17.243 387 HA LEU 49 HA LEU 49 -28.287 -48.122 15.523 388 HB2 LEU 49 HB2 LEU 49 -26.785 -49.275 17.072 389 HB3 LEU 49 HB1 LEU 49 -27.674 -48.645 18.454 390 HG LEU 49 HG LEU 49 -29.703 -49.848 17.690 391 HD11 LEU 49 HD11 LEU 49 -29.153 -51.681 15.880 392 HD12 LEU 49 HD12 LEU 49 -27.875 -50.565 15.402 393 HD13 LEU 49 HD13 LEU 49 -29.561 -50.049 15.358 394 HD21 LEU 49 HD21 LEU 49 -27.184 -51.517 17.951 395 HD22 LEU 49 HD22 LEU 49 -28.820 -52.156 18.109 396 HD23 LEU 49 HD23 LEU 49 -28.223 -50.965 19.265 397 H ALA 50 HN ALA 50 -28.986 -46.184 18.416 398 HA ALA 50 HA ALA 50 -31.781 -46.050 17.594 399 HB1 ALA 50 HB1 ALA 50 -32.383 -46.553 20.102 400 HB2 ALA 50 HB2 ALA 50 -30.815 -47.357 20.128 401 HB3 ALA 50 HB3 ALA 50 -32.064 -47.899 19.008 402 H ASP 51 HN ASP 51 -32.871 -44.115 18.542 403 HA ASP 51 HA ASP 51 -31.128 -41.963 19.049 404 HB2 ASP 51 HB2 ASP 51 -34.111 -42.263 19.492 405 HB3 ASP 51 HB1 ASP 51 -33.236 -40.765 19.795 406 H TYR 52 HN TYR 52 -32.868 -44.141 21.233 407 HA TYR 52 HA TYR 52 -32.671 -42.837 23.643 408 HB2 TYR 52 HB2 TYR 52 -33.708 -45.035 23.485 409 HB3 TYR 52 HB1 TYR 52 -32.151 -45.777 23.107 410 HD1 TYR 52 HD1 TYR 52 -33.980 -43.850 25.728 411 HD2 TYR 52 HD2 TYR 52 -30.663 -46.428 24.833 412 HE1 TYR 52 HE1 TYR 52 -33.509 -44.085 28.152 413 HE2 TYR 52 HE2 TYR 52 -30.192 -46.664 27.257 414 HH TYR 52 HH TYR 52 -31.763 -46.423 29.465 Start of MODEL 20 1 H1 GLY 1 HT1 GLY 1 -28.089 5.223 32.179 2 H2 GLY 1 HT2 GLY 1 -26.718 4.548 31.438 3 H3 GLY 1 HT3 GLY 1 -27.412 3.795 32.794 4 HA2 GLY 1 HA2 GLY 1 -29.323 3.142 31.599 5 HA3 GLY 1 HA1 GLY 1 -28.860 4.159 30.234 6 H SER 2 HN SER 2 -26.100 2.864 31.547 7 HA SER 2 HA SER 2 -25.526 1.241 29.305 8 HB2 SER 2 HB2 SER 2 -23.532 0.570 30.542 9 HB3 SER 2 HB1 SER 2 -23.797 2.301 30.728 10 HG SER 2 HG SER 2 -23.912 1.947 32.786 11 H VAL 3 HN VAL 3 -27.179 0.610 32.272 12 HA VAL 3 HA VAL 3 -26.788 -2.190 32.416 13 HB VAL 3 HB VAL 3 -29.014 -0.433 33.495 14 HG11 VAL 3 HG11 VAL 3 -30.019 -2.591 33.219 15 HG12 VAL 3 HG12 VAL 3 -29.515 -2.500 34.907 16 HG13 VAL 3 HG13 VAL 3 -28.552 -3.415 33.747 17 HG21 VAL 3 HG21 VAL 3 -27.882 -1.076 35.659 18 HG22 VAL 3 HG22 VAL 3 -26.885 -0.084 34.601 19 HG23 VAL 3 HG23 VAL 3 -26.602 -1.821 34.707 20 H GLU 4 HN GLU 4 -29.201 -0.220 30.708 21 HA GLU 4 HA GLU 4 -30.829 -2.369 29.868 22 HB2 GLU 4 HB2 GLU 4 -30.398 0.387 28.677 23 HB3 GLU 4 HB1 GLU 4 -31.572 -0.769 28.054 24 HG2 GLU 4 HG2 GLU 4 -32.728 -0.838 30.177 25 HG3 GLU 4 HG1 GLU 4 -31.487 0.160 30.933 26 H LYS 5 HN LYS 5 -27.904 -0.932 28.482 27 HA LYS 5 HA LYS 5 -26.531 -1.617 26.749 28 HB2 LYS 5 HB2 LYS 5 -27.737 -4.295 27.460 29 HB3 LYS 5 HB1 LYS 5 -26.278 -4.054 26.498 30 HG2 LYS 5 HG2 LYS 5 -25.303 -2.781 28.451 31 HG3 LYS 5 HG1 LYS 5 -26.699 -3.286 29.400 32 HD2 LYS 5 HD2 LYS 5 -24.879 -5.248 27.981 33 HD3 LYS 5 HD1 LYS 5 -24.626 -4.742 29.649 34 HE2 LYS 5 HE2 LYS 5 -26.972 -5.517 30.161 35 HE3 LYS 5 HE1 LYS 5 -27.048 -6.184 28.532 36 HZ1 LYS 5 HZ1 LYS 5 -25.758 -7.230 30.840 37 HZ2 LYS 5 HZ2 LYS 5 -24.674 -7.085 29.541 38 HZ3 LYS 5 HZ3 LYS 5 -26.104 -7.987 29.363 39 H LEU 6 HN LEU 6 -29.244 -0.726 26.039 40 HA LEU 6 HA LEU 6 -29.856 -2.391 23.675 41 HB2 LEU 6 HB2 LEU 6 -31.399 -0.106 24.929 42 HB3 LEU 6 HB1 LEU 6 -31.915 -1.034 23.524 43 HG LEU 6 HG LEU 6 -31.350 -2.223 26.256 44 HD11 LEU 6 HD11 LEU 6 -33.963 -1.535 24.878 45 HD12 LEU 6 HD12 LEU 6 -33.324 -0.792 26.343 46 HD13 LEU 6 HD13 LEU 6 -33.834 -2.479 26.363 47 HD21 LEU 6 HD21 LEU 6 -32.209 -3.351 23.596 48 HD22 LEU 6 HD22 LEU 6 -32.808 -4.102 25.074 49 HD23 LEU 6 HD23 LEU 6 -31.075 -4.011 24.776 50 H THR 7 HN THR 7 -27.888 0.110 24.439 51 HA THR 7 HA THR 7 -28.380 2.021 22.434 52 HB THR 7 HB THR 7 -25.744 1.266 23.704 53 HG1 THR 7 HG1 THR 7 -27.147 3.497 24.495 54 HG21 THR 7 HG21 THR 7 -26.675 3.787 22.306 55 HG22 THR 7 HG22 THR 7 -25.477 2.648 21.698 56 HG23 THR 7 HG23 THR 7 -25.133 3.600 23.140 57 H ALA 8 HN ALA 8 -27.891 2.020 20.194 58 HA ALA 8 HA ALA 8 -27.186 -0.412 18.953 59 HB1 ALA 8 HB1 ALA 8 -26.748 1.071 16.904 60 HB2 ALA 8 HB2 ALA 8 -27.259 2.429 17.904 61 HB3 ALA 8 HB3 ALA 8 -28.375 1.104 17.577 62 H ASP 9 HN ASP 9 -25.258 2.391 19.936 63 HA ASP 9 HA ASP 9 -22.850 1.576 18.693 64 HB2 ASP 9 HB2 ASP 9 -23.348 3.360 21.092 65 HB3 ASP 9 HB1 ASP 9 -21.747 3.049 20.432 66 H ALA 10 HN ALA 10 -24.378 0.750 21.778 67 HA ALA 10 HA ALA 10 -22.131 -0.513 22.946 68 HB1 ALA 10 HB1 ALA 10 -25.095 -0.960 23.381 69 HB2 ALA 10 HB2 ALA 10 -23.961 -0.081 24.404 70 HB3 ALA 10 HB3 ALA 10 -23.852 -1.833 24.273 71 H GLU 11 HN GLU 11 -24.559 -1.705 20.659 72 HA GLU 11 HA GLU 11 -23.807 -4.433 20.804 73 HB2 GLU 11 HB2 GLU 11 -25.189 -2.865 18.613 74 HB3 GLU 11 HB1 GLU 11 -24.874 -4.595 18.509 75 HG2 GLU 11 HG2 GLU 11 -26.190 -5.023 20.489 76 HG3 GLU 11 HG1 GLU 11 -26.373 -3.300 20.803 77 H LEU 12 HN LEU 12 -22.581 -1.721 18.896 78 HA LEU 12 HA LEU 12 -20.936 -3.259 17.170 79 HB2 LEU 12 HB2 LEU 12 -20.756 -0.359 18.029 80 HB3 LEU 12 HB1 LEU 12 -19.667 -1.088 16.856 81 HG LEU 12 HG LEU 12 -22.689 -1.104 16.577 82 HD11 LEU 12 HD11 LEU 12 -22.230 0.667 14.823 83 HD12 LEU 12 HD12 LEU 12 -20.599 0.794 15.485 84 HD13 LEU 12 HD13 LEU 12 -21.993 1.192 16.490 85 HD21 LEU 12 HD21 LEU 12 -21.824 -1.413 14.077 86 HD22 LEU 12 HD22 LEU 12 -21.944 -2.798 15.152 87 HD23 LEU 12 HD23 LEU 12 -20.380 -2.034 14.877 88 H GLN 13 HN GLN 13 -20.473 -1.985 20.407 89 HA GLN 13 HA GLN 13 -17.675 -2.333 20.555 90 HB2 GLN 13 HB2 GLN 13 -19.785 -2.278 22.725 91 HB3 GLN 13 HB1 GLN 13 -18.061 -2.427 23.059 92 HG2 GLN 13 HG2 GLN 13 -17.596 -0.312 22.001 93 HG3 GLN 13 HG1 GLN 13 -19.247 -0.184 21.402 94 HE21 GLN 13 HE21 GLN 13 -17.805 1.679 23.261 95 HE22 GLN 13 HE22 GLN 13 -18.750 1.732 24.668 96 H ARG 14 HN ARG 14 -20.353 -4.583 21.058 97 HA ARG 14 HA ARG 14 -18.888 -6.631 22.311 98 HB2 ARG 14 HB2 ARG 14 -21.345 -6.664 22.223 99 HB3 ARG 14 HB1 ARG 14 -21.294 -6.942 20.482 100 HG2 ARG 14 HG2 ARG 14 -20.113 -9.059 20.825 101 HG3 ARG 14 HG1 ARG 14 -20.059 -8.768 22.564 102 HD2 ARG 14 HD2 ARG 14 -22.515 -8.796 22.655 103 HD3 ARG 14 HD1 ARG 14 -22.585 -9.051 20.912 104 HE ARG 14 HE ARG 14 -20.997 -11.086 22.019 105 HH11 ARG 14 HH11 ARG 14 -21.909 -13.131 22.396 106 HH12 ARG 14 HH12 ARG 14 -23.627 -13.295 22.538 107 HH21 ARG 14 HH21 ARG 14 -24.254 -9.918 22.063 108 HH22 ARG 14 HH22 ARG 14 -24.956 -11.476 22.350 109 H LEU 15 HN LEU 15 -19.285 -5.873 18.852 110 HA LEU 15 HA LEU 15 -18.045 -8.234 17.904 111 HB2 LEU 15 HB2 LEU 15 -18.385 -5.505 16.640 112 HB3 LEU 15 HB1 LEU 15 -17.553 -6.822 15.824 113 HG LEU 15 HG LEU 15 -19.979 -6.643 15.227 114 HD11 LEU 15 HD11 LEU 15 -18.542 -8.885 15.440 115 HD12 LEU 15 HD12 LEU 15 -20.257 -8.928 15.048 116 HD13 LEU 15 HD13 LEU 15 -19.727 -9.247 16.697 117 HD21 LEU 15 HD21 LEU 15 -20.554 -7.672 18.007 118 HD22 LEU 15 HD22 LEU 15 -21.690 -7.053 16.810 119 HD23 LEU 15 HD23 LEU 15 -20.590 -5.949 17.633 120 H LYS 16 HN LYS 16 -16.732 -5.112 18.935 121 HA LYS 16 HA LYS 16 -14.061 -5.659 18.081 122 HB2 LYS 16 HB2 LYS 16 -15.154 -3.718 20.127 123 HB3 LYS 16 HB1 LYS 16 -13.458 -3.787 19.654 124 HG2 LYS 16 HG2 LYS 16 -14.213 -3.485 17.251 125 HG3 LYS 16 HG1 LYS 16 -15.827 -3.155 17.874 126 HD2 LYS 16 HD2 LYS 16 -13.380 -1.610 18.765 127 HD3 LYS 16 HD1 LYS 16 -14.382 -1.107 17.408 128 HE2 LYS 16 HE2 LYS 16 -15.328 -1.469 20.271 129 HE3 LYS 16 HE1 LYS 16 -15.072 0.063 19.447 130 HZ1 LYS 16 HZ1 LYS 16 -17.369 -0.446 19.326 131 HZ2 LYS 16 HZ2 LYS 16 -17.067 -2.023 18.770 132 HZ3 LYS 16 HZ3 LYS 16 -16.726 -0.687 17.775 133 H ASN 17 HN ASN 17 -15.963 -6.583 20.813 134 HA ASN 17 HA ASN 17 -13.596 -7.481 22.330 135 HB2 ASN 17 HB2 ASN 17 -16.529 -7.294 23.059 136 HB3 ASN 17 HB1 ASN 17 -15.306 -8.021 24.097 137 HD21 ASN 17 HD21 ASN 17 -16.793 -5.640 24.828 138 HD22 ASN 17 HD22 ASN 17 -15.683 -4.360 24.934 139 H GLU 18 HN GLU 18 -15.185 -8.658 19.836 140 HA GLU 18 HA GLU 18 -16.115 -11.200 20.646 141 HB2 GLU 18 HB2 GLU 18 -16.683 -10.246 18.443 142 HB3 GLU 18 HB1 GLU 18 -15.006 -10.414 17.928 143 HG2 GLU 18 HG2 GLU 18 -15.132 -12.846 18.240 144 HG3 GLU 18 HG1 GLU 18 -16.790 -12.697 18.821 145 H ALA 19 HN ALA 19 -12.893 -10.054 19.727 146 HA ALA 19 HA ALA 19 -11.650 -12.586 19.561 147 HB1 ALA 19 HB1 ALA 19 -9.527 -11.381 19.887 148 HB2 ALA 19 HB2 ALA 19 -10.412 -9.932 20.354 149 HB3 ALA 19 HB3 ALA 19 -10.550 -10.560 18.711 150 H ALA 20 HN ALA 20 -12.645 -10.662 22.275 151 HA ALA 20 HA ALA 20 -10.940 -11.751 24.249 152 HB1 ALA 20 HB1 ALA 20 -12.567 -10.964 25.888 153 HB2 ALA 20 HB2 ALA 20 -13.781 -10.754 24.629 154 HB3 ALA 20 HB3 ALA 20 -12.338 -9.737 24.644 155 H GLU 21 HN GLU 21 -13.749 -13.020 22.641 156 HA GLU 21 HA GLU 21 -14.493 -14.974 24.540 157 HB2 GLU 21 HB2 GLU 21 -14.856 -14.888 21.531 158 HB3 GLU 21 HB1 GLU 21 -15.515 -16.163 22.555 159 HG2 GLU 21 HG2 GLU 21 -16.813 -14.564 23.821 160 HG3 GLU 21 HG1 GLU 21 -16.051 -13.214 22.981 161 H GLU 22 HN GLU 22 -12.042 -14.962 21.997 162 HA GLU 22 HA GLU 22 -11.431 -17.729 22.069 163 HB2 GLU 22 HB2 GLU 22 -9.760 -15.335 21.266 164 HB3 GLU 22 HB1 GLU 22 -9.237 -17.007 21.069 165 HG2 GLU 22 HG2 GLU 22 -11.144 -17.487 19.636 166 HG3 GLU 22 HG1 GLU 22 -11.795 -15.872 19.908 167 H ALA 23 HN ALA 23 -10.715 -15.136 24.211 168 HA ALA 23 HA ALA 23 -8.320 -16.046 25.378 169 HB1 ALA 23 HB1 ALA 23 -10.556 -14.545 26.767 170 HB2 ALA 23 HB2 ALA 23 -9.285 -13.793 25.800 171 HB3 ALA 23 HB3 ALA 23 -8.876 -14.646 27.287 172 H GLU 24 HN GLU 24 -11.525 -17.294 25.594 173 HA GLU 24 HA GLU 24 -11.462 -18.488 28.138 174 HB2 GLU 24 HB2 GLU 24 -13.219 -19.943 27.350 175 HB3 GLU 24 HB1 GLU 24 -13.482 -18.348 26.653 176 HG2 GLU 24 HG2 GLU 24 -12.242 -19.151 24.593 177 HG3 GLU 24 HG1 GLU 24 -12.269 -20.767 25.289 178 H LEU 25 HN LEU 25 -9.740 -19.222 25.259 179 HA LEU 25 HA LEU 25 -9.235 -21.983 25.719 180 HB2 LEU 25 HB2 LEU 25 -7.656 -19.917 24.158 181 HB3 LEU 25 HB1 LEU 25 -7.306 -21.642 24.157 182 HG LEU 25 HG LEU 25 -9.981 -20.450 23.362 183 HD11 LEU 25 HD11 LEU 25 -9.273 -20.949 21.041 184 HD12 LEU 25 HD12 LEU 25 -7.686 -21.436 21.638 185 HD13 LEU 25 HD13 LEU 25 -8.214 -19.761 21.800 186 HD21 LEU 25 HD21 LEU 25 -8.844 -23.241 23.474 187 HD22 LEU 25 HD22 LEU 25 -10.003 -22.849 22.206 188 HD23 LEU 25 HD23 LEU 25 -10.458 -22.675 23.896 189 H GLU 26 HN GLU 26 -7.860 -19.043 26.985 190 HA GLU 26 HA GLU 26 -5.401 -20.078 27.904 191 HB2 GLU 26 HB2 GLU 26 -5.844 -17.654 27.809 192 HB3 GLU 26 HB1 GLU 26 -7.022 -17.808 29.110 193 HG2 GLU 26 HG2 GLU 26 -5.277 -18.637 30.623 194 HG3 GLU 26 HG1 GLU 26 -4.094 -18.557 29.321 195 H ARG 27 HN ARG 27 -8.639 -20.085 29.356 196 HA ARG 27 HA ARG 27 -7.849 -20.981 31.911 197 HB2 ARG 27 HB2 ARG 27 -10.474 -21.287 30.427 198 HB3 ARG 27 HB1 ARG 27 -10.227 -21.817 32.091 199 HG2 ARG 27 HG2 ARG 27 -9.577 -19.538 32.737 200 HG3 ARG 27 HG1 ARG 27 -9.791 -18.996 31.073 201 HD2 ARG 27 HD2 ARG 27 -12.171 -19.627 31.167 202 HD3 ARG 27 HD1 ARG 27 -11.963 -20.183 32.824 203 HE ARG 27 HE ARG 27 -11.097 -17.504 32.665 204 HH11 ARG 27 HH11 ARG 27 -12.484 -15.861 33.395 205 HH12 ARG 27 HH12 ARG 27 -14.184 -16.161 33.522 206 HH21 ARG 27 HH21 ARG 27 -13.956 -19.437 32.405 207 HH22 ARG 27 HH22 ARG 27 -15.017 -18.186 32.961 208 H LEU 28 HN LEU 28 -8.543 -22.732 28.909 209 HA LEU 28 HA LEU 28 -8.334 -25.325 30.188 210 HB2 LEU 28 HB2 LEU 28 -8.383 -24.578 27.251 211 HB3 LEU 28 HB1 LEU 28 -8.530 -26.210 27.902 212 HG LEU 28 HG LEU 28 -10.438 -23.925 28.496 213 HD11 LEU 28 HD11 LEU 28 -10.623 -26.308 26.633 214 HD12 LEU 28 HD12 LEU 28 -10.705 -24.601 26.198 215 HD13 LEU 28 HD13 LEU 28 -12.017 -25.341 27.116 216 HD21 LEU 28 HD21 LEU 28 -10.223 -26.787 29.425 217 HD22 LEU 28 HD22 LEU 28 -11.821 -26.058 29.256 218 HD23 LEU 28 HD23 LEU 28 -10.639 -25.343 30.349 219 H LYS 29 HN LYS 29 -6.176 -23.001 28.958 220 HA LYS 29 HA LYS 29 -4.120 -24.664 27.963 221 HB2 LYS 29 HB2 LYS 29 -4.153 -22.230 27.545 222 HB3 LYS 29 HB1 LYS 29 -3.816 -21.930 29.250 223 HG2 LYS 29 HG2 LYS 29 -1.693 -23.151 29.066 224 HG3 LYS 29 HG1 LYS 29 -2.036 -23.505 27.372 225 HD2 LYS 29 HD2 LYS 29 -2.085 -21.076 26.888 226 HD3 LYS 29 HD1 LYS 29 -1.697 -20.741 28.576 227 HE2 LYS 29 HE2 LYS 29 0.033 -22.370 26.690 228 HE3 LYS 29 HE1 LYS 29 0.324 -20.685 27.126 229 HZ1 LYS 29 HZ1 LYS 29 1.172 -22.922 28.490 230 HZ2 LYS 29 HZ2 LYS 29 -0.080 -22.275 29.440 231 HZ3 LYS 29 HZ3 LYS 29 1.256 -21.313 29.019 232 H SER 30 HN SER 30 -4.902 -23.599 31.244 233 HA SER 30 HA SER 30 -2.523 -24.435 32.500 234 HB2 SER 30 HB2 SER 30 -3.821 -24.379 34.573 235 HB3 SER 30 HB1 SER 30 -4.197 -22.976 33.577 236 HG SER 30 HG SER 30 -5.957 -24.438 34.559 237 H GLU 31 HN GLU 31 -5.175 -26.245 31.227 238 HA GLU 31 HA GLU 31 -5.001 -28.549 32.863 239 HB2 GLU 31 HB2 GLU 31 -5.865 -28.305 29.969 240 HB3 GLU 31 HB1 GLU 31 -6.131 -29.713 30.992 241 HG2 GLU 31 HG2 GLU 31 -7.132 -26.933 31.656 242 HG3 GLU 31 HG1 GLU 31 -8.111 -28.174 30.876 243 H ARG 32 HN ARG 32 -2.973 -27.319 30.363 244 HA ARG 32 HA ARG 32 -1.375 -29.825 30.393 245 HB2 ARG 32 HB2 ARG 32 -1.814 -27.906 28.091 246 HB3 ARG 32 HB1 ARG 32 -0.695 -29.270 28.076 247 HG2 ARG 32 HG2 ARG 32 -2.540 -30.834 28.427 248 HG3 ARG 32 HG1 ARG 32 -3.681 -29.495 28.551 249 HD2 ARG 32 HD2 ARG 32 -3.800 -30.407 26.303 250 HD3 ARG 32 HD1 ARG 32 -3.061 -28.810 26.230 251 HE ARG 32 HE ARG 32 -1.056 -30.814 26.488 252 HH11 ARG 32 HH11 ARG 32 0.159 -31.326 24.640 253 HH12 ARG 32 HH12 ARG 32 -0.436 -30.897 23.072 254 HH21 ARG 32 HH21 ARG 32 -3.341 -29.441 24.282 255 HH22 ARG 32 HH22 ARG 32 -2.418 -29.830 22.868 256 H HIS 33 HN HIS 33 0.863 -29.591 30.395 257 HA HIS 33 HA HIS 33 1.822 -27.106 31.594 258 HB2 HIS 33 HB2 HIS 33 2.483 -29.475 32.343 259 HB3 HIS 33 HB1 HIS 33 3.498 -29.526 30.901 260 HD2 HIS 33 HD2 HIS 33 3.566 -28.035 34.467 261 HE1 HIS 33 HE1 HIS 33 6.853 -26.389 32.392 262 HE2 HIS 33 HE2 HIS 33 5.768 -26.645 34.673 263 H ASP 34 HN ASP 34 1.038 -26.513 29.029 264 HA ASP 34 HA ASP 34 3.362 -26.658 27.262 265 HB2 ASP 34 HB2 ASP 34 1.903 -25.657 25.600 266 HB3 ASP 34 HB1 ASP 34 1.070 -27.003 26.373 267 H HIS 35 HN HIS 35 2.867 -24.899 29.850 268 HA HIS 35 HA HIS 35 3.004 -22.200 29.001 269 HB2 HIS 35 HB2 HIS 35 3.937 -23.506 31.571 270 HB3 HIS 35 HB1 HIS 35 3.887 -21.764 31.302 271 HD2 HIS 35 HD2 HIS 35 1.513 -24.563 32.410 272 HE1 HIS 35 HE1 HIS 35 -0.931 -21.265 31.417 273 HE2 HIS 35 HE2 HIS 35 -0.894 -23.554 32.516 274 H ASP 36 HN ASP 36 5.389 -24.723 29.216 275 HA ASP 36 HA ASP 36 7.713 -23.113 29.338 276 HB2 ASP 36 HB2 ASP 36 7.259 -25.892 28.226 277 HB3 ASP 36 HB1 ASP 36 8.843 -25.124 28.286 278 H LYS 37 HN LYS 37 5.520 -23.883 26.771 279 HA LYS 37 HA LYS 37 7.189 -23.376 24.567 280 HB2 LYS 37 HB2 LYS 37 5.010 -24.427 24.255 281 HB3 LYS 37 HB1 LYS 37 4.187 -22.972 24.807 282 HG2 LYS 37 HG2 LYS 37 4.174 -23.107 22.355 283 HG3 LYS 37 HG1 LYS 37 5.113 -21.717 22.888 284 HD2 LYS 37 HD2 LYS 37 7.171 -22.750 22.367 285 HD3 LYS 37 HD1 LYS 37 6.459 -24.365 22.347 286 HE2 LYS 37 HE2 LYS 37 6.914 -23.593 20.057 287 HE3 LYS 37 HE1 LYS 37 5.177 -23.752 20.316 288 HZ1 LYS 37 HZ1 LYS 37 4.919 -21.460 20.498 289 HZ2 LYS 37 HZ2 LYS 37 6.017 -21.636 19.214 290 HZ3 LYS 37 HZ3 LYS 37 6.572 -21.186 20.755 291 H LYS 38 HN LYS 38 5.350 -21.188 26.656 292 HA LYS 38 HA LYS 38 5.666 -18.864 25.087 293 HB2 LYS 38 HB2 LYS 38 5.271 -19.203 28.069 294 HB3 LYS 38 HB1 LYS 38 5.315 -17.631 27.274 295 HG2 LYS 38 HG2 LYS 38 3.476 -18.442 25.744 296 HG3 LYS 38 HG1 LYS 38 3.356 -19.882 26.749 297 HD2 LYS 38 HD2 LYS 38 3.101 -17.082 27.867 298 HD3 LYS 38 HD1 LYS 38 1.717 -18.012 27.302 299 HE2 LYS 38 HE2 LYS 38 2.389 -19.838 28.908 300 HE3 LYS 38 HE1 LYS 38 3.607 -18.743 29.558 301 HZ1 LYS 38 HZ1 LYS 38 1.140 -18.879 30.499 302 HZ2 LYS 38 HZ2 LYS 38 0.922 -17.670 29.325 303 HZ3 LYS 38 HZ3 LYS 38 2.075 -17.465 30.555 304 H GLU 39 HN GLU 39 7.784 -20.385 27.490 305 HA GLU 39 HA GLU 39 9.626 -18.247 27.689 306 HB2 GLU 39 HB2 GLU 39 9.971 -21.221 28.167 307 HB3 GLU 39 HB1 GLU 39 11.240 -20.033 28.463 308 HG2 GLU 39 HG2 GLU 39 9.854 -18.859 30.063 309 HG3 GLU 39 HG1 GLU 39 8.471 -19.882 29.680 310 H ALA 40 HN ALA 40 9.316 -20.926 25.412 311 HA ALA 40 HA ALA 40 11.826 -20.316 24.087 312 HB1 ALA 40 HB1 ALA 40 11.276 -22.106 22.578 313 HB2 ALA 40 HB2 ALA 40 9.595 -22.113 23.106 314 HB3 ALA 40 HB3 ALA 40 10.870 -22.641 24.206 315 H GLU 41 HN GLU 41 8.645 -19.139 23.975 316 HA GLU 41 HA GLU 41 8.349 -18.526 21.249 317 HB2 GLU 41 HB2 GLU 41 6.476 -18.369 22.842 318 HB3 GLU 41 HB1 GLU 41 7.233 -16.973 23.606 319 HG2 GLU 41 HG2 GLU 41 7.101 -15.718 21.506 320 HG3 GLU 41 HG1 GLU 41 6.418 -17.125 20.692 321 H ARG 42 HN ARG 42 10.044 -16.746 23.820 322 HA ARG 42 HA ARG 42 10.425 -14.341 22.416 323 HB2 ARG 42 HB2 ARG 42 12.215 -13.879 23.964 324 HB3 ARG 42 HB1 ARG 42 10.921 -14.686 24.846 325 HG2 ARG 42 HG2 ARG 42 12.157 -16.865 24.465 326 HG3 ARG 42 HG1 ARG 42 13.504 -15.914 23.841 327 HD2 ARG 42 HD2 ARG 42 13.634 -14.682 25.968 328 HD3 ARG 42 HD1 ARG 42 12.285 -15.622 26.599 329 HE ARG 42 HE ARG 42 13.727 -17.441 26.881 330 HH11 ARG 42 HH11 ARG 42 15.812 -18.339 26.980 331 HH12 ARG 42 HH12 ARG 42 17.137 -17.526 26.217 332 HH21 ARG 42 HH21 ARG 42 15.198 -14.896 25.053 333 HH22 ARG 42 HH22 ARG 42 16.789 -15.576 25.125 334 H LYS 43 HN LYS 43 11.916 -17.449 22.081 335 HA LYS 43 HA LYS 43 14.325 -16.693 20.819 336 HB2 LYS 43 HB2 LYS 43 13.983 -18.963 21.702 337 HB3 LYS 43 HB1 LYS 43 12.782 -19.270 20.449 338 HG2 LYS 43 HG2 LYS 43 14.415 -19.043 18.704 339 HG3 LYS 43 HG1 LYS 43 15.619 -18.423 19.832 340 HD2 LYS 43 HD2 LYS 43 16.184 -20.718 19.434 341 HD3 LYS 43 HD1 LYS 43 15.472 -20.652 21.044 342 HE2 LYS 43 HE2 LYS 43 13.351 -21.474 20.208 343 HE3 LYS 43 HE1 LYS 43 13.911 -21.354 18.540 344 HZ1 LYS 43 HZ1 LYS 43 14.429 -23.380 20.527 345 HZ2 LYS 43 HZ2 LYS 43 15.810 -22.876 19.676 346 HZ3 LYS 43 HZ3 LYS 43 14.465 -23.486 18.835 347 H ALA 44 HN ALA 44 11.084 -17.215 19.496 348 HA ALA 44 HA ALA 44 11.764 -17.325 16.775 349 HB1 ALA 44 HB1 ALA 44 9.501 -17.849 17.559 350 HB2 ALA 44 HB2 ALA 44 9.452 -16.590 16.328 351 HB3 ALA 44 HB3 ALA 44 9.258 -16.163 18.025 352 H LEU 45 HN LEU 45 11.835 -14.676 18.964 353 HA LEU 45 HA LEU 45 11.516 -12.544 17.124 354 HB2 LEU 45 HB2 LEU 45 12.984 -12.657 19.774 355 HB3 LEU 45 HB1 LEU 45 12.707 -11.180 18.860 356 HG LEU 45 HG LEU 45 10.496 -13.037 19.789 357 HD11 LEU 45 HD11 LEU 45 11.579 -10.477 21.000 358 HD12 LEU 45 HD12 LEU 45 11.575 -12.080 21.736 359 HD13 LEU 45 HD13 LEU 45 10.055 -11.227 21.475 360 HD21 LEU 45 HD21 LEU 45 10.592 -10.413 18.307 361 HD22 LEU 45 HD22 LEU 45 9.242 -10.717 19.398 362 HD23 LEU 45 HD23 LEU 45 9.541 -11.806 18.050 363 H GLU 46 HN GLU 46 14.194 -14.627 17.928 364 HA GLU 46 HA GLU 46 16.292 -13.036 16.905 365 HB2 GLU 46 HB2 GLU 46 16.716 -15.032 18.298 366 HB3 GLU 46 HB1 GLU 46 16.130 -16.073 17.005 367 HG2 GLU 46 HG2 GLU 46 18.560 -15.996 16.935 368 HG3 GLU 46 HG1 GLU 46 17.924 -15.164 15.519 369 H ASP 47 HN ASP 47 14.039 -15.279 15.346 370 HA ASP 47 HA ASP 47 13.604 -15.712 13.110 371 HB2 ASP 47 HB2 ASP 47 13.162 -13.227 13.279 372 HB3 ASP 47 HB1 ASP 47 14.789 -12.971 12.646 373 H LYS 48 HN LYS 48 16.147 -16.635 14.111 374 HA LYS 48 HA LYS 48 18.200 -17.423 13.359 375 HB2 LYS 48 HB2 LYS 48 16.714 -17.245 10.725 376 HB3 LYS 48 HB1 LYS 48 18.208 -18.144 10.993 377 HG2 LYS 48 HG2 LYS 48 17.076 -19.517 12.705 378 HG3 LYS 48 HG1 LYS 48 15.579 -18.626 12.428 379 HD2 LYS 48 HD2 LYS 48 15.600 -19.359 10.056 380 HD3 LYS 48 HD1 LYS 48 17.061 -20.296 10.374 381 HE2 LYS 48 HE2 LYS 48 14.407 -20.687 11.787 382 HE3 LYS 48 HE1 LYS 48 15.018 -21.704 10.483 383 HZ1 LYS 48 HZ1 LYS 48 15.749 -21.651 13.263 384 HZ2 LYS 48 HZ2 LYS 48 17.089 -21.629 12.218 385 HZ3 LYS 48 HZ3 LYS 48 15.946 -22.883 12.113 386 H LEU 49 HN LEU 49 17.964 -14.537 13.629 387 HA LEU 49 HA LEU 49 19.069 -13.209 11.390 388 HB2 LEU 49 HB2 LEU 49 17.975 -11.944 13.174 389 HB3 LEU 49 HB1 LEU 49 19.220 -12.423 14.323 390 HG LEU 49 HG LEU 49 20.926 -11.263 12.950 391 HD11 LEU 49 HD11 LEU 49 20.173 -11.285 10.730 392 HD12 LEU 49 HD12 LEU 49 19.849 -9.619 11.197 393 HD13 LEU 49 HD13 LEU 49 18.536 -10.798 11.171 394 HD21 LEU 49 HD21 LEU 49 19.791 -10.057 14.769 395 HD22 LEU 49 HD22 LEU 49 18.507 -9.573 13.662 396 HD23 LEU 49 HD23 LEU 49 20.145 -8.962 13.432 397 H ALA 50 HN ALA 50 20.578 -14.857 14.145 398 HA ALA 50 HA ALA 50 23.223 -14.023 13.631 399 HB1 ALA 50 HB1 ALA 50 22.833 -15.030 15.750 400 HB2 ALA 50 HB2 ALA 50 23.877 -16.146 14.875 401 HB3 ALA 50 HB3 ALA 50 22.156 -16.490 15.030 402 H ASP 51 HN ASP 51 21.306 -16.688 12.295 403 HA ASP 51 HA ASP 51 23.422 -18.019 10.989 404 HB2 ASP 51 HB2 ASP 51 20.458 -17.904 10.370 405 HB3 ASP 51 HB1 ASP 51 21.595 -18.894 9.460 406 H TYR 52 HN TYR 52 21.432 -15.250 10.029 407 HA TYR 52 HA TYR 52 21.507 -13.911 8.124 408 HB2 TYR 52 HB2 TYR 52 23.443 -13.093 9.343 409 HB3 TYR 52 HB1 TYR 52 24.446 -14.383 8.683 410 HD1 TYR 52 HD1 TYR 52 22.384 -11.424 7.728 411 HD2 TYR 52 HD2 TYR 52 25.487 -14.157 6.563 412 HE1 TYR 52 HE1 TYR 52 22.867 -10.027 5.736 413 HE2 TYR 52 HE2 TYR 52 25.970 -12.759 4.572 414 HH TYR 52 HH TYR 52 23.944 -10.539 3.351
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