NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
633898 | 5yz6 | 36142 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 19 H MET 19 2.320 -1.222 -0.709 2 HA MET 19 HA MET 19 2.359 0.592 -3.019 3 HB2 MET 19 2HB MET 19 4.421 0.173 -1.504 4 HB3 MET 19 3HB MET 19 4.538 -1.365 -2.350 5 HG2 MET 19 2HG MET 19 4.362 1.189 -3.887 6 HG3 MET 19 3HG MET 19 5.894 0.667 -3.190 7 HE1 MET 19 1HE MET 19 5.344 0.827 -6.736 8 HE2 MET 19 2HE MET 19 6.598 1.086 -5.523 9 HE3 MET 19 3HE MET 19 6.756 -0.229 -6.688 10 H GLY 20 H GLY 20 1.735 -0.116 -4.956 11 HA2 GLY 20 2HA GLY 20 2.154 -2.095 -6.527 12 HA3 GLY 20 3HA GLY 20 1.317 -3.016 -5.286 13 H CYS 21 H CYS 21 -0.329 -3.637 -6.702 14 HA CYS 21 HA CYS 21 -2.134 -1.461 -7.533 15 HB2 CYS 21 2HB CYS 21 -1.297 -3.981 -8.873 16 HB3 CYS 21 3HB CYS 21 -2.970 -3.475 -9.086 17 H THR 22 H THR 22 -4.447 -2.037 -7.572 18 HA THR 22 HA THR 22 -5.114 -3.933 -5.415 19 HB THR 22 HB THR 22 -7.115 -2.476 -4.980 20 HG1 THR 22 HG1 THR 22 -7.090 -0.391 -5.853 21 HG21 THR 22 1HG2 THR 22 -4.310 -1.493 -4.558 22 HG22 THR 22 2HG2 THR 22 -5.410 -2.243 -3.401 23 HG23 THR 22 3HG2 THR 22 -5.692 -0.588 -3.941 24 H TYR 23 H TYR 23 -6.903 -5.247 -5.669 25 HA TYR 23 HA TYR 23 -8.144 -5.218 -8.342 26 HB2 TYR 23 2HB TYR 23 -6.687 -7.130 -8.198 27 HB3 TYR 23 3HB TYR 23 -7.352 -7.581 -6.632 28 HD1 TYR 23 HD1 TYR 23 -8.001 -7.472 -10.253 29 HD2 TYR 23 HD2 TYR 23 -9.427 -8.778 -6.463 30 HE1 TYR 23 HE1 TYR 23 -9.653 -8.907 -11.376 31 HE2 TYR 23 HE2 TYR 23 -11.083 -10.217 -7.576 32 HH TYR 23 HH TYR 23 -11.221 -10.464 -11.113 33 H THR 24 H THR 24 -10.333 -5.753 -8.490 34 HA THR 24 HA THR 24 -11.805 -5.500 -5.955 35 HB THR 24 HB THR 24 -13.222 -5.153 -8.544 36 HG1 THR 24 HG1 THR 24 -11.628 -3.817 -9.113 37 HG21 THR 24 1HG2 THR 24 -13.872 -3.059 -6.939 38 HG22 THR 24 2HG2 THR 24 -13.440 -4.280 -5.742 39 HG23 THR 24 3HG2 THR 24 -14.702 -4.615 -6.927 40 H ILE 25 H ILE 25 -12.558 -7.361 -5.197 41 HA ILE 25 HA ILE 25 -12.935 -9.656 -6.885 42 HB ILE 25 HB ILE 25 -13.760 -9.366 -3.998 43 HG12 ILE 25 2HG1 ILE 25 -11.100 -10.254 -5.136 44 HG13 ILE 25 3HG1 ILE 25 -11.394 -8.757 -4.259 45 HG21 ILE 25 1HG2 ILE 25 -12.839 -11.888 -5.304 46 HG22 ILE 25 2HG2 ILE 25 -13.904 -11.665 -3.917 47 HG23 ILE 25 3HG2 ILE 25 -14.495 -11.331 -5.545 48 HD11 ILE 25 1HD1 ILE 25 -11.684 -11.533 -3.138 49 HD12 ILE 25 2HD1 ILE 25 -10.337 -10.432 -2.850 50 HD13 ILE 25 3HD1 ILE 25 -11.950 -10.026 -2.262 51 H GLN 26 H GLN 26 -14.623 -9.544 -8.254 52 HA GLN 26 HA GLN 26 -17.214 -8.624 -7.236 53 HB2 GLN 26 2HB GLN 26 -16.058 -8.926 -9.989 54 HB3 GLN 26 3HB GLN 26 -17.800 -8.845 -9.761 55 HG2 GLN 26 2HG GLN 26 -15.932 -6.757 -8.684 56 HG3 GLN 26 3HG GLN 26 -16.618 -6.680 -10.306 57 HE21 GLN 26 1HE2 GLN 26 -18.262 -5.345 -10.397 58 HE22 GLN 26 2HE2 GLN 26 -19.461 -5.111 -9.176 59 HA PRO 27 HA PRO 27 -19.110 -12.565 -7.039 60 HB2 PRO 27 2HB PRO 27 -21.474 -12.103 -8.367 61 HB3 PRO 27 3HB PRO 27 -21.156 -11.612 -6.699 62 HG2 PRO 27 2HG PRO 27 -20.969 -10.001 -9.216 63 HG3 PRO 27 3HG PRO 27 -21.654 -9.546 -7.645 64 HD2 PRO 27 2HD PRO 27 -19.246 -8.718 -8.402 65 HD3 PRO 27 3HD PRO 27 -19.546 -9.158 -6.709 66 H GLY 28 H GLY 28 -17.661 -13.731 -8.380 67 HA2 GLY 28 2HA GLY 28 -18.375 -15.390 -10.232 68 HA3 GLY 28 3HA GLY 28 -18.408 -13.936 -11.218 69 H ASP 29 H ASP 29 -16.046 -13.007 -9.452 70 HA ASP 29 HA ASP 29 -14.013 -13.872 -11.270 71 HB2 ASP 29 2HB ASP 29 -13.751 -12.285 -8.707 72 HB3 ASP 29 3HB ASP 29 -12.519 -12.445 -9.955 73 H THR 30 H THR 30 -12.635 -15.515 -11.083 74 HA THR 30 HA THR 30 -12.647 -17.046 -8.576 75 HB THR 30 HB THR 30 -11.383 -18.714 -10.244 76 HG1 THR 30 HG1 THR 30 -13.206 -17.377 -11.969 77 HG21 THR 30 1HG2 THR 30 -13.723 -19.605 -10.825 78 HG22 THR 30 2HG2 THR 30 -14.327 -18.253 -9.867 79 HG23 THR 30 3HG2 THR 30 -13.294 -19.472 -9.120 80 H PHE 31 H PHE 31 -10.764 -17.602 -7.530 81 HA PHE 31 HA PHE 31 -8.645 -15.835 -7.519 82 HB2 PHE 31 2HB PHE 31 -9.067 -18.587 -6.473 83 HB3 PHE 31 3HB PHE 31 -7.413 -17.987 -6.518 84 HD1 PHE 31 HD1 PHE 31 -6.802 -17.481 -4.356 85 HD2 PHE 31 HD2 PHE 31 -10.629 -16.265 -5.768 86 HE1 PHE 31 HE1 PHE 31 -7.187 -16.263 -2.253 87 HE2 PHE 31 HE2 PHE 31 -11.020 -15.045 -3.668 88 HZ PHE 31 HZ PHE 31 -9.297 -15.042 -1.907 89 H TRP 32 H TRP 32 -8.593 -19.131 -8.885 90 HA TRP 32 HA TRP 32 -6.087 -19.051 -10.038 91 HB2 TRP 32 2HB TRP 32 -7.636 -21.042 -9.875 92 HB3 TRP 32 3HB TRP 32 -8.479 -20.410 -11.287 93 HD1 TRP 32 HD1 TRP 32 -5.031 -21.814 -10.274 94 HE1 TRP 32 HE1 TRP 32 -3.899 -22.762 -12.382 95 HE3 TRP 32 HE3 TRP 32 -8.459 -20.340 -13.768 96 HZ2 TRP 32 HZ2 TRP 32 -4.393 -22.870 -15.159 97 HZ3 TRP 32 HZ3 TRP 32 -8.054 -20.905 -16.129 98 HH2 TRP 32 HH2 TRP 32 -6.063 -22.143 -16.808 99 H ALA 33 H ALA 33 -9.185 -18.100 -11.501 100 HA ALA 33 HA ALA 33 -8.262 -17.410 -14.028 101 HB1 ALA 33 1HB ALA 33 -10.644 -17.563 -13.369 102 HB2 ALA 33 2HB ALA 33 -10.473 -16.030 -12.512 103 HB3 ALA 33 3HB ALA 33 -10.262 -16.090 -14.262 104 H ILE 34 H ILE 34 -8.768 -15.226 -11.250 105 HA ILE 34 HA ILE 34 -7.757 -12.911 -12.394 106 HB ILE 34 HB ILE 34 -7.559 -13.747 -9.498 107 HG12 ILE 34 2HG1 ILE 34 -9.638 -11.947 -10.727 108 HG13 ILE 34 3HG1 ILE 34 -9.860 -13.691 -10.654 109 HG21 ILE 34 1HG2 ILE 34 -6.259 -11.914 -9.392 110 HG22 ILE 34 2HG2 ILE 34 -6.837 -11.289 -10.936 111 HG23 ILE 34 3HG2 ILE 34 -7.795 -11.052 -9.475 112 HD11 ILE 34 1HD1 ILE 34 -10.890 -12.278 -8.805 113 HD12 ILE 34 2HD1 ILE 34 -9.956 -13.694 -8.325 114 HD13 ILE 34 3HD1 ILE 34 -9.244 -12.085 -8.203 115 H ALA 35 H ALA 35 -6.063 -15.580 -10.850 116 HA ALA 35 HA ALA 35 -3.526 -14.377 -10.655 117 HB1 ALA 35 1HB ALA 35 -3.522 -17.259 -11.182 118 HB2 ALA 35 2HB ALA 35 -2.873 -16.351 -9.816 119 HB3 ALA 35 3HB ALA 35 -4.589 -16.757 -9.870 120 H GLN 36 H GLN 36 -4.667 -16.757 -13.062 121 HA GLN 36 HA GLN 36 -2.458 -16.501 -14.771 122 HB2 GLN 36 2HB GLN 36 -5.270 -17.278 -15.558 123 HB3 GLN 36 3HB GLN 36 -3.787 -17.676 -16.417 124 HG2 GLN 36 2HG GLN 36 -4.683 -18.699 -13.737 125 HG3 GLN 36 3HG GLN 36 -4.499 -19.610 -15.234 126 HE21 GLN 36 1HE2 GLN 36 -3.238 -19.601 -12.422 127 HE22 GLN 36 2HE2 GLN 36 -1.549 -19.750 -12.751 128 H ARG 37 H ARG 37 -5.328 -14.582 -14.405 129 HA ARG 37 HA ARG 37 -5.159 -13.259 -16.933 130 HB2 ARG 37 2HB ARG 37 -7.211 -13.486 -15.404 131 HB3 ARG 37 3HB ARG 37 -6.517 -12.159 -14.481 132 HG2 ARG 37 2HG ARG 37 -6.822 -11.805 -17.412 133 HG3 ARG 37 3HG ARG 37 -8.272 -11.754 -16.407 134 HD2 ARG 37 2HD ARG 37 -7.629 -9.838 -15.335 135 HD3 ARG 37 3HD ARG 37 -5.910 -10.172 -15.542 136 HE ARG 37 HE ARG 37 -5.965 -9.021 -17.517 137 HH11 ARG 37 1HH1 ARG 37 -9.221 -9.816 -16.577 138 HH12 ARG 37 2HH1 ARG 37 -9.953 -8.869 -17.830 139 HH21 ARG 37 1HH2 ARG 37 -6.916 -7.771 -19.171 140 HH22 ARG 37 2HH2 ARG 37 -8.641 -7.707 -19.305 141 H ARG 38 H ARG 38 -4.768 -11.888 -13.662 142 HA ARG 38 HA ARG 38 -3.443 -9.573 -14.492 143 HB2 ARG 38 2HB ARG 38 -3.286 -11.002 -11.832 144 HB3 ARG 38 3HB ARG 38 -2.742 -9.356 -12.128 145 HG2 ARG 38 2HG ARG 38 -5.569 -10.175 -12.677 146 HG3 ARG 38 3HG ARG 38 -5.042 -9.707 -11.059 147 HD2 ARG 38 2HD ARG 38 -4.797 -8.024 -13.550 148 HD3 ARG 38 3HD ARG 38 -6.011 -7.820 -12.288 149 HE ARG 38 HE ARG 38 -3.702 -7.633 -10.917 150 HH11 ARG 38 1HH1 ARG 38 -4.856 -6.085 -13.813 151 HH12 ARG 38 2HH1 ARG 38 -3.956 -4.628 -13.550 152 HH21 ARG 38 1HH2 ARG 38 -2.512 -5.720 -10.559 153 HH22 ARG 38 2HH2 ARG 38 -2.622 -4.422 -11.698 154 H GLY 39 H GLY 39 -2.277 -12.798 -13.976 155 HA2 GLY 39 2HA GLY 39 -0.241 -13.553 -14.952 156 HA3 GLY 39 3HA GLY 39 0.389 -11.917 -14.831 157 H THR 40 H THR 40 -1.266 -13.217 -12.101 158 HA THR 40 HA THR 40 1.325 -13.600 -10.746 159 HB THR 40 HB THR 40 0.018 -11.632 -9.939 160 HG1 THR 40 HG1 THR 40 1.441 -13.018 -8.576 161 HG21 THR 40 1HG2 THR 40 -1.984 -12.050 -8.567 162 HG22 THR 40 2HG2 THR 40 -1.937 -13.750 -9.035 163 HG23 THR 40 3HG2 THR 40 -2.234 -12.508 -10.251 164 H THR 41 H THR 41 0.992 -14.954 -8.653 165 HA THR 41 HA THR 41 -0.385 -17.411 -9.466 166 HB THR 41 HB THR 41 0.989 -18.527 -7.731 167 HG1 THR 41 HG1 THR 41 2.589 -17.337 -6.676 168 HG21 THR 41 1HG2 THR 41 3.041 -17.059 -9.252 169 HG22 THR 41 2HG2 THR 41 1.749 -17.770 -10.219 170 HG23 THR 41 3HG2 THR 41 2.720 -18.790 -9.159 171 H VAL 42 H VAL 42 -1.876 -18.437 -8.175 172 HA VAL 42 HA VAL 42 -3.599 -16.944 -6.620 173 HB VAL 42 HB VAL 42 -4.264 -19.094 -7.509 174 HG11 VAL 42 1HG1 VAL 42 -3.430 -21.189 -6.663 175 HG12 VAL 42 2HG1 VAL 42 -2.070 -20.211 -7.217 176 HG13 VAL 42 3HG1 VAL 42 -2.410 -20.353 -5.492 177 HG21 VAL 42 1HG2 VAL 42 -4.764 -18.206 -4.880 178 HG22 VAL 42 2HG2 VAL 42 -5.793 -19.210 -5.902 179 HG23 VAL 42 3HG2 VAL 42 -4.630 -19.963 -4.812 180 H ASP 43 H ASP 43 -0.776 -18.805 -5.627 181 HA ASP 43 HA ASP 43 -1.128 -18.768 -2.870 182 HB2 ASP 43 2HB ASP 43 0.663 -19.990 -4.190 183 HB3 ASP 43 3HB ASP 43 1.543 -18.465 -4.243 184 H VAL 44 H VAL 44 0.415 -16.361 -4.970 185 HA VAL 44 HA VAL 44 1.109 -14.596 -2.843 186 HB VAL 44 HB VAL 44 0.823 -14.018 -5.795 187 HG11 VAL 44 1HG1 VAL 44 1.931 -12.422 -3.509 188 HG12 VAL 44 2HG1 VAL 44 2.465 -12.153 -5.169 189 HG13 VAL 44 3HG1 VAL 44 0.769 -11.932 -4.740 190 HG21 VAL 44 1HG2 VAL 44 2.632 -15.682 -4.550 191 HG22 VAL 44 2HG2 VAL 44 2.841 -14.919 -6.126 192 HG23 VAL 44 3HG2 VAL 44 3.508 -14.157 -4.682 193 H ILE 45 H ILE 45 -1.570 -14.735 -5.154 194 HA ILE 45 HA ILE 45 -2.814 -12.328 -4.589 195 HB ILE 45 HB ILE 45 -4.157 -14.957 -5.225 196 HG12 ILE 45 2HG1 ILE 45 -3.505 -12.741 -7.157 197 HG13 ILE 45 3HG1 ILE 45 -2.355 -14.028 -6.814 198 HG21 ILE 45 1HG2 ILE 45 -5.172 -12.243 -4.810 199 HG22 ILE 45 2HG2 ILE 45 -5.704 -12.996 -6.313 200 HG23 ILE 45 3HG2 ILE 45 -6.017 -13.791 -4.770 201 HD11 ILE 45 1HD1 ILE 45 -3.469 -15.512 -8.057 202 HD12 ILE 45 2HD1 ILE 45 -5.045 -14.955 -7.494 203 HD13 ILE 45 3HD1 ILE 45 -4.212 -14.087 -8.783 204 H GLN 46 H GLN 46 -3.290 -15.473 -2.998 205 HA GLN 46 HA GLN 46 -5.146 -14.428 -1.086 206 HB2 GLN 46 2HB GLN 46 -5.257 -16.765 -1.728 207 HB3 GLN 46 3HB GLN 46 -3.613 -17.031 -1.164 208 HG2 GLN 46 2HG GLN 46 -4.345 -16.500 1.128 209 HG3 GLN 46 3HG GLN 46 -5.996 -16.333 0.535 210 HE21 GLN 46 1HE2 GLN 46 -6.409 -18.375 -1.069 211 HE22 GLN 46 2HE2 GLN 46 -6.181 -19.887 -0.265 212 H SER 47 H SER 47 -1.704 -15.234 -1.063 213 HA SER 47 HA SER 47 -1.162 -14.937 1.637 214 HB2 SER 47 2HB SER 47 0.567 -15.777 0.237 215 HB3 SER 47 3HB SER 47 0.522 -14.350 -0.799 216 HG SER 47 HG SER 47 1.673 -13.257 0.625 217 H LEU 48 H LEU 48 -1.531 -12.485 -0.858 218 HA LEU 48 HA LEU 48 -0.656 -10.304 0.754 219 HB2 LEU 48 2HB LEU 48 -1.958 -10.644 -1.884 220 HB3 LEU 48 3HB LEU 48 -2.155 -9.082 -1.090 221 HG LEU 48 HG LEU 48 0.519 -10.347 -1.673 222 HD11 LEU 48 1HD1 LEU 48 -0.535 -8.024 -3.202 223 HD12 LEU 48 2HD1 LEU 48 -1.068 -9.644 -3.648 224 HD13 LEU 48 3HD1 LEU 48 0.649 -9.244 -3.670 225 HD21 LEU 48 1HD2 LEU 48 1.168 -7.869 -1.417 226 HD22 LEU 48 2HD2 LEU 48 0.834 -8.804 0.041 227 HD23 LEU 48 3HD2 LEU 48 -0.384 -7.699 -0.598 228 H ASN 49 H ASN 49 -3.642 -12.007 0.389 229 HA ASN 49 HA ASN 49 -4.865 -10.223 2.367 230 HB2 ASN 49 2HB ASN 49 -6.488 -11.308 0.076 231 HB3 ASN 49 3HB ASN 49 -6.894 -10.006 1.190 232 HD21 ASN 49 1HD2 ASN 49 -4.887 -10.920 -1.528 233 HD22 ASN 49 2HD2 ASN 49 -4.577 -9.314 -2.083 234 HA PRO 50 HA PRO 50 -5.194 -14.713 3.505 235 HB2 PRO 50 2HB PRO 50 -4.392 -14.361 6.075 236 HB3 PRO 50 3HB PRO 50 -3.260 -14.618 4.742 237 HG2 PRO 50 2HG PRO 50 -4.078 -12.060 6.065 238 HG3 PRO 50 3HG PRO 50 -2.462 -12.595 5.566 239 HD2 PRO 50 2HD PRO 50 -3.938 -10.859 4.104 240 HD3 PRO 50 3HD PRO 50 -2.813 -12.015 3.363 241 H GLY 51 H GLY 51 -6.475 -11.723 4.647 242 HA2 GLY 51 2HA GLY 51 -8.174 -12.638 6.695 243 HA3 GLY 51 3HA GLY 51 -8.416 -11.180 5.745 244 H VAL 52 H VAL 52 -8.373 -13.002 3.281 245 HA VAL 52 HA VAL 52 -11.223 -13.688 3.430 246 HB VAL 52 HB VAL 52 -10.574 -12.137 1.641 247 HG11 VAL 52 1HG1 VAL 52 -9.309 -13.832 -0.211 248 HG12 VAL 52 2HG1 VAL 52 -8.637 -12.409 0.588 249 HG13 VAL 52 3HG1 VAL 52 -8.428 -14.006 1.307 250 HG21 VAL 52 1HG2 VAL 52 -11.209 -14.562 0.088 251 HG22 VAL 52 2HG2 VAL 52 -12.275 -14.216 1.450 252 HG23 VAL 52 3HG2 VAL 52 -12.053 -13.016 0.177 253 H VAL 53 H VAL 53 -12.000 -15.688 2.740 254 HA VAL 53 HA VAL 53 -9.979 -17.789 2.326 255 HB VAL 53 HB VAL 53 -11.602 -19.315 3.594 256 HG11 VAL 53 1HG1 VAL 53 -10.168 -17.192 5.184 257 HG12 VAL 53 2HG1 VAL 53 -10.555 -18.832 5.708 258 HG13 VAL 53 3HG1 VAL 53 -9.384 -18.572 4.415 259 HG21 VAL 53 1HG2 VAL 53 -12.519 -16.674 4.725 260 HG22 VAL 53 2HG2 VAL 53 -13.464 -17.677 3.625 261 HG23 VAL 53 3HG2 VAL 53 -13.043 -18.282 5.227 262 HA PRO 54 HA PRO 54 -12.372 -19.131 -1.100 263 HB2 PRO 54 2HB PRO 54 -11.971 -21.815 -1.023 264 HB3 PRO 54 3HB PRO 54 -10.716 -20.670 -1.509 265 HG2 PRO 54 2HG PRO 54 -11.132 -22.015 1.133 266 HG3 PRO 54 3HG PRO 54 -9.624 -21.750 0.237 267 HD2 PRO 54 2HD PRO 54 -10.376 -20.190 2.319 268 HD3 PRO 54 3HD PRO 54 -9.440 -19.564 0.946 269 H THR 55 H THR 55 -12.974 -20.627 2.015 270 HA THR 55 HA THR 55 -15.420 -21.901 1.233 271 HB THR 55 HB THR 55 -14.811 -21.247 4.090 272 HG1 THR 55 HG1 THR 55 -13.527 -23.337 3.909 273 HG21 THR 55 1HG2 THR 55 -15.947 -23.655 2.663 274 HG22 THR 55 2HG2 THR 55 -16.843 -22.472 3.616 275 HG23 THR 55 3HG2 THR 55 -15.688 -23.546 4.404 276 H ARG 56 H ARG 56 -14.516 -18.761 2.380 277 HA ARG 56 HA ARG 56 -17.366 -18.026 2.539 278 HB2 ARG 56 2HB ARG 56 -15.152 -16.607 4.013 279 HB3 ARG 56 3HB ARG 56 -16.887 -16.451 4.253 280 HG2 ARG 56 2HG ARG 56 -15.266 -18.917 4.852 281 HG3 ARG 56 3HG ARG 56 -15.800 -17.727 6.040 282 HD2 ARG 56 2HD ARG 56 -17.704 -19.212 4.246 283 HD3 ARG 56 3HD ARG 56 -17.210 -19.821 5.825 284 HE ARG 56 HE ARG 56 -19.073 -17.713 5.295 285 HH11 ARG 56 1HH1 ARG 56 -16.774 -18.951 7.597 286 HH12 ARG 56 2HH1 ARG 56 -17.529 -18.189 8.958 287 HH21 ARG 56 1HH2 ARG 56 -20.077 -16.705 7.079 288 HH22 ARG 56 2HH2 ARG 56 -19.408 -16.913 8.662 289 H LEU 57 H LEU 57 -16.220 -17.983 0.098 290 HA LEU 57 HA LEU 57 -14.890 -15.606 -0.615 291 HB2 LEU 57 2HB LEU 57 -15.192 -17.782 -1.943 292 HB3 LEU 57 3HB LEU 57 -16.740 -17.102 -2.443 293 HG LEU 57 HG LEU 57 -15.161 -15.066 -3.135 294 HD11 LEU 57 1HD1 LEU 57 -13.029 -15.681 -3.846 295 HD12 LEU 57 2HD1 LEU 57 -13.381 -17.405 -3.723 296 HD13 LEU 57 3HD1 LEU 57 -13.180 -16.440 -2.261 297 HD21 LEU 57 1HD2 LEU 57 -14.893 -16.829 -5.289 298 HD22 LEU 57 2HD2 LEU 57 -16.180 -15.654 -5.018 299 HD23 LEU 57 3HD2 LEU 57 -16.370 -17.316 -4.457 300 H GLN 58 H GLN 58 -15.663 -13.625 -0.322 301 HA GLN 58 HA GLN 58 -18.534 -13.140 -0.427 302 HB2 GLN 58 2HB GLN 58 -16.178 -11.488 0.456 303 HB3 GLN 58 3HB GLN 58 -17.777 -10.785 0.259 304 HG2 GLN 58 2HG GLN 58 -17.385 -13.206 1.966 305 HG3 GLN 58 3HG GLN 58 -17.027 -11.596 2.589 306 HE21 GLN 58 1HE2 GLN 58 -18.622 -11.054 3.897 307 HE22 GLN 58 2HE2 GLN 58 -20.308 -11.188 3.548 308 H VAL 59 H VAL 59 -19.419 -11.375 -1.675 309 HA VAL 59 HA VAL 59 -17.945 -10.955 -4.192 310 HB VAL 59 HB VAL 59 -20.098 -10.660 -5.295 311 HG11 VAL 59 1HG1 VAL 59 -19.098 -12.922 -5.071 312 HG12 VAL 59 2HG1 VAL 59 -20.116 -13.189 -3.653 313 HG13 VAL 59 3HG1 VAL 59 -20.854 -12.941 -5.236 314 HG21 VAL 59 1HG2 VAL 59 -21.424 -9.703 -3.559 315 HG22 VAL 59 2HG2 VAL 59 -22.188 -11.222 -4.030 316 HG23 VAL 59 3HG2 VAL 59 -21.238 -11.136 -2.547 317 H GLY 60 H GLY 60 -17.575 -8.928 -4.909 318 HA2 GLY 60 2HA GLY 60 -17.764 -6.620 -5.079 319 HA3 GLY 60 3HA GLY 60 -19.089 -6.674 -3.925 320 H GLN 61 H GLN 61 -15.719 -7.774 -3.654 321 HA GLN 61 HA GLN 61 -15.321 -5.793 -1.520 322 HB2 GLN 61 2HB GLN 61 -15.808 -8.218 -0.744 323 HB3 GLN 61 3HB GLN 61 -14.179 -8.563 -1.311 324 HG2 GLN 61 2HG GLN 61 -13.275 -6.905 0.215 325 HG3 GLN 61 3HG GLN 61 -14.902 -6.502 0.760 326 HE21 GLN 61 1HE2 GLN 61 -12.312 -8.787 0.906 327 HE22 GLN 61 2HE2 GLN 61 -12.953 -9.750 2.189 328 H VAL 62 H VAL 62 -13.520 -4.637 -1.742 329 HA VAL 62 HA VAL 62 -11.698 -5.248 -3.901 330 HB VAL 62 HB VAL 62 -12.457 -2.923 -3.441 331 HG11 VAL 62 1HG1 VAL 62 -10.524 -2.599 -1.241 332 HG12 VAL 62 2HG1 VAL 62 -12.091 -1.831 -1.501 333 HG13 VAL 62 3HG1 VAL 62 -12.007 -3.464 -0.839 334 HG21 VAL 62 1HG2 VAL 62 -9.514 -2.874 -3.040 335 HG22 VAL 62 2HG2 VAL 62 -10.142 -3.716 -4.457 336 HG23 VAL 62 3HG2 VAL 62 -10.511 -2.009 -4.210 337 H ILE 63 H ILE 63 -9.442 -5.509 -3.690 338 HA ILE 63 HA ILE 63 -8.329 -5.942 -1.041 339 HB ILE 63 HB ILE 63 -7.463 -8.184 -1.607 340 HG12 ILE 63 2HG1 ILE 63 -9.468 -8.318 -3.838 341 HG13 ILE 63 3HG1 ILE 63 -7.842 -7.717 -4.143 342 HG21 ILE 63 1HG2 ILE 63 -9.389 -9.349 -0.976 343 HG22 ILE 63 2HG2 ILE 63 -9.650 -7.718 -0.361 344 HG23 ILE 63 3HG2 ILE 63 -10.452 -8.241 -1.841 345 HD11 ILE 63 1HD1 ILE 63 -6.878 -9.763 -3.808 346 HD12 ILE 63 2HD1 ILE 63 -8.178 -10.327 -2.757 347 HD13 ILE 63 3HD1 ILE 63 -8.431 -10.232 -4.500 348 H ASN 64 H ASN 64 -5.949 -6.920 -1.462 349 HA ASN 64 HA ASN 64 -4.724 -5.039 -3.347 350 HB2 ASN 64 2HB ASN 64 -3.876 -6.277 -0.780 351 HB3 ASN 64 3HB ASN 64 -2.615 -5.947 -1.965 352 HD21 ASN 64 1HD2 ASN 64 -4.354 -4.703 0.560 353 HD22 ASN 64 2HD2 ASN 64 -4.042 -3.022 0.310 354 H VAL 65 H VAL 65 -3.049 -5.700 -4.755 355 HA VAL 65 HA VAL 65 -2.488 -8.524 -5.067 356 HB VAL 65 HB VAL 65 -3.095 -8.383 -7.553 357 HG11 VAL 65 1HG1 VAL 65 -5.198 -9.336 -7.164 358 HG12 VAL 65 2HG1 VAL 65 -4.297 -9.646 -5.678 359 HG13 VAL 65 3HG1 VAL 65 -5.483 -8.342 -5.736 360 HG21 VAL 65 1HG2 VAL 65 -4.712 -6.821 -8.259 361 HG22 VAL 65 2HG2 VAL 65 -5.023 -6.276 -6.611 362 HG23 VAL 65 3HG2 VAL 65 -3.495 -5.879 -7.398 363 HA PRO 66 HA PRO 66 1.362 -7.036 -6.560 364 HB2 PRO 66 2HB PRO 66 2.081 -9.016 -8.272 365 HB3 PRO 66 3HB PRO 66 2.092 -9.214 -6.516 366 HG2 PRO 66 2HG PRO 66 0.032 -10.082 -8.506 367 HG3 PRO 66 3HG PRO 66 0.681 -10.964 -7.111 368 HD2 PRO 66 2HD PRO 66 -1.713 -9.700 -7.050 369 HD3 PRO 66 3HD PRO 66 -0.676 -9.851 -5.617 370 H CYS 67 H CYS 67 1.880 -5.514 -7.996 371 HA CYS 67 HA CYS 67 0.417 -5.423 -10.538 372 HB2 CYS 67 2HB CYS 67 0.632 -3.464 -8.759 373 HB3 CYS 67 3HB CYS 67 2.141 -3.167 -9.616 Start of MODEL 2 1 H1 MET 19 H MET 19 1.808 0.000 0.855 2 HA MET 19 HA MET 19 1.988 0.974 -1.696 3 HB2 MET 19 2HB MET 19 3.936 0.503 -0.284 4 HB3 MET 19 3HB MET 19 3.673 -1.224 -0.480 5 HG2 MET 19 2HG MET 19 5.415 -0.650 -1.949 6 HG3 MET 19 3HG MET 19 3.983 -0.880 -2.950 7 HE1 MET 19 1HE MET 19 4.577 1.051 -5.240 8 HE2 MET 19 2HE MET 19 6.121 1.736 -4.735 9 HE3 MET 19 3HE MET 19 5.786 0.025 -4.468 10 H GLY 20 H GLY 20 1.746 0.215 -3.747 11 HA2 GLY 20 2HA GLY 20 1.691 -1.671 -5.293 12 HA3 GLY 20 3HA GLY 20 0.872 -2.591 -4.040 13 H CYS 21 H CYS 21 -0.884 -3.099 -5.347 14 HA CYS 21 HA CYS 21 -2.756 -0.876 -5.752 15 HB2 CYS 21 2HB CYS 21 -1.820 -2.864 -7.788 16 HB3 CYS 21 3HB CYS 21 -3.462 -2.235 -7.883 17 H THR 22 H THR 22 -5.014 -1.691 -6.148 18 HA THR 22 HA THR 22 -5.491 -4.188 -4.655 19 HB THR 22 HB THR 22 -7.581 -3.155 -3.785 20 HG1 THR 22 HG1 THR 22 -8.173 -1.313 -4.623 21 HG21 THR 22 1HG2 THR 22 -5.359 -1.337 -2.967 22 HG22 THR 22 2HG2 THR 22 -5.198 -3.070 -2.680 23 HG23 THR 22 3HG2 THR 22 -6.546 -2.181 -1.973 24 H TYR 23 H TYR 23 -7.079 -5.543 -5.398 25 HA TYR 23 HA TYR 23 -8.208 -4.857 -8.026 26 HB2 TYR 23 2HB TYR 23 -6.806 -6.798 -8.161 27 HB3 TYR 23 3HB TYR 23 -7.582 -7.527 -6.760 28 HD1 TYR 23 HD1 TYR 23 -8.024 -6.657 -10.318 29 HD2 TYR 23 HD2 TYR 23 -9.624 -8.746 -6.974 30 HE1 TYR 23 HE1 TYR 23 -9.604 -7.815 -11.805 31 HE2 TYR 23 HE2 TYR 23 -11.207 -9.911 -8.452 32 HH TYR 23 HH TYR 23 -12.243 -9.641 -10.617 33 H THR 24 H THR 24 -10.378 -5.284 -8.481 34 HA THR 24 HA THR 24 -12.091 -5.419 -6.100 35 HB THR 24 HB THR 24 -12.938 -4.591 -8.876 36 HG1 THR 24 HG1 THR 24 -11.501 -3.033 -8.361 37 HG21 THR 24 1HG2 THR 24 -14.361 -5.094 -6.503 38 HG22 THR 24 2HG2 THR 24 -14.966 -4.350 -7.984 39 HG23 THR 24 3HG2 THR 24 -14.320 -3.342 -6.690 40 H ILE 25 H ILE 25 -12.641 -7.470 -5.675 41 HA ILE 25 HA ILE 25 -13.020 -9.419 -7.760 42 HB ILE 25 HB ILE 25 -13.709 -9.717 -4.838 43 HG12 ILE 25 2HG1 ILE 25 -11.087 -10.278 -6.240 44 HG13 ILE 25 3HG1 ILE 25 -11.376 -8.984 -5.082 45 HG21 ILE 25 1HG2 ILE 25 -12.706 -12.045 -6.231 46 HG22 ILE 25 2HG2 ILE 25 -14.190 -11.840 -5.303 47 HG23 ILE 25 3HG2 ILE 25 -14.147 -11.390 -7.007 48 HD11 ILE 25 1HD1 ILE 25 -11.594 -11.922 -4.472 49 HD12 ILE 25 2HD1 ILE 25 -10.200 -10.905 -4.107 50 HD13 ILE 25 3HD1 ILE 25 -11.749 -10.590 -3.326 51 H GLN 26 H GLN 26 -14.784 -9.220 -8.995 52 HA GLN 26 HA GLN 26 -17.347 -8.584 -7.708 53 HB2 GLN 26 2HB GLN 26 -16.234 -8.141 -10.430 54 HB3 GLN 26 3HB GLN 26 -17.964 -8.427 -10.300 55 HG2 GLN 26 2HG GLN 26 -17.776 -6.584 -8.425 56 HG3 GLN 26 3HG GLN 26 -16.339 -6.137 -9.343 57 HE21 GLN 26 1HE2 GLN 26 -18.005 -4.212 -9.330 58 HE22 GLN 26 2HE2 GLN 26 -18.960 -4.100 -10.765 59 HA PRO 27 HA PRO 27 -19.338 -12.448 -8.190 60 HB2 PRO 27 2HB PRO 27 -21.145 -11.197 -10.207 61 HB3 PRO 27 3HB PRO 27 -21.547 -12.118 -8.753 62 HG2 PRO 27 2HG PRO 27 -21.769 -9.447 -8.824 63 HG3 PRO 27 3HG PRO 27 -21.254 -10.302 -7.358 64 HD2 PRO 27 2HD PRO 27 -19.682 -8.664 -9.246 65 HD3 PRO 27 3HD PRO 27 -19.436 -8.960 -7.513 66 H GLY 28 H GLY 28 -18.331 -14.041 -9.245 67 HA2 GLY 28 2HA GLY 28 -18.348 -15.393 -11.273 68 HA3 GLY 28 3HA GLY 28 -18.236 -13.900 -12.193 69 H ASP 29 H ASP 29 -16.241 -12.969 -10.053 70 HA ASP 29 HA ASP 29 -13.908 -13.972 -11.450 71 HB2 ASP 29 2HB ASP 29 -14.086 -11.941 -9.214 72 HB3 ASP 29 3HB ASP 29 -12.679 -12.257 -10.227 73 H THR 30 H THR 30 -12.344 -15.270 -10.628 74 HA THR 30 HA THR 30 -12.680 -16.207 -7.855 75 HB THR 30 HB THR 30 -11.957 -18.462 -8.591 76 HG1 THR 30 HG1 THR 30 -11.666 -18.903 -10.711 77 HG21 THR 30 1HG2 THR 30 -14.324 -17.878 -10.290 78 HG22 THR 30 2HG2 THR 30 -14.436 -17.492 -8.573 79 HG23 THR 30 3HG2 THR 30 -14.081 -19.141 -9.084 80 H PHE 31 H PHE 31 -10.717 -17.176 -6.926 81 HA PHE 31 HA PHE 31 -8.523 -15.505 -7.043 82 HB2 PHE 31 2HB PHE 31 -8.935 -18.293 -6.041 83 HB3 PHE 31 3HB PHE 31 -7.301 -17.640 -6.091 84 HD1 PHE 31 HD1 PHE 31 -7.448 -14.961 -5.251 85 HD2 PHE 31 HD2 PHE 31 -9.785 -18.259 -3.918 86 HE1 PHE 31 HE1 PHE 31 -7.841 -13.813 -3.111 87 HE2 PHE 31 HE2 PHE 31 -10.182 -17.117 -1.776 88 HZ PHE 31 HZ PHE 31 -9.210 -14.891 -1.370 89 H TRP 32 H TRP 32 -8.584 -18.836 -8.323 90 HA TRP 32 HA TRP 32 -6.191 -18.757 -9.697 91 HB2 TRP 32 2HB TRP 32 -7.350 -20.842 -9.414 92 HB3 TRP 32 3HB TRP 32 -8.734 -20.259 -10.336 93 HD1 TRP 32 HD1 TRP 32 -4.933 -20.563 -11.134 94 HE1 TRP 32 HE1 TRP 32 -4.708 -21.624 -13.469 95 HE3 TRP 32 HE3 TRP 32 -9.889 -21.176 -12.228 96 HZ2 TRP 32 HZ2 TRP 32 -6.406 -22.592 -15.505 97 HZ3 TRP 32 HZ3 TRP 32 -10.504 -22.177 -14.391 98 HH2 TRP 32 HH2 TRP 32 -8.797 -22.869 -15.994 99 H ALA 33 H ALA 33 -9.420 -17.860 -10.866 100 HA ALA 33 HA ALA 33 -8.834 -17.325 -13.513 101 HB1 ALA 33 1HB ALA 33 -10.707 -15.598 -13.314 102 HB2 ALA 33 2HB ALA 33 -11.093 -17.270 -12.905 103 HB3 ALA 33 3HB ALA 33 -10.813 -16.091 -11.624 104 H ILE 34 H ILE 34 -8.609 -15.113 -10.736 105 HA ILE 34 HA ILE 34 -7.675 -12.896 -12.226 106 HB ILE 34 HB ILE 34 -7.303 -13.492 -9.288 107 HG12 ILE 34 2HG1 ILE 34 -9.345 -11.654 -10.523 108 HG13 ILE 34 3HG1 ILE 34 -9.680 -13.363 -10.266 109 HG21 ILE 34 1HG2 ILE 34 -6.874 -11.010 -10.923 110 HG22 ILE 34 2HG2 ILE 34 -7.136 -10.956 -9.181 111 HG23 ILE 34 3HG2 ILE 34 -5.746 -11.819 -9.837 112 HD11 ILE 34 1HD1 ILE 34 -9.082 -11.276 -8.192 113 HD12 ILE 34 2HD1 ILE 34 -10.580 -12.176 -8.429 114 HD13 ILE 34 3HD1 ILE 34 -9.135 -13.005 -7.850 115 H ALA 35 H ALA 35 -6.058 -15.557 -10.594 116 HA ALA 35 HA ALA 35 -3.439 -14.571 -10.624 117 HB1 ALA 35 1HB ALA 35 -4.679 -16.916 -9.832 118 HB2 ALA 35 2HB ALA 35 -3.558 -17.428 -11.094 119 HB3 ALA 35 3HB ALA 35 -2.962 -16.537 -9.694 120 H GLN 36 H GLN 36 -5.075 -16.684 -12.985 121 HA GLN 36 HA GLN 36 -2.922 -16.742 -14.814 122 HB2 GLN 36 2HB GLN 36 -4.583 -17.622 -16.417 123 HB3 GLN 36 3HB GLN 36 -4.647 -18.445 -14.864 124 HG2 GLN 36 2HG GLN 36 -6.593 -17.119 -14.233 125 HG3 GLN 36 3HG GLN 36 -6.526 -16.281 -15.783 126 HE21 GLN 36 1HE2 GLN 36 -7.654 -18.993 -14.095 127 HE22 GLN 36 2HE2 GLN 36 -8.350 -19.838 -15.432 128 H ARG 37 H ARG 37 -5.465 -14.464 -14.232 129 HA ARG 37 HA ARG 37 -5.247 -13.138 -16.772 130 HB2 ARG 37 2HB ARG 37 -6.768 -12.722 -14.254 131 HB3 ARG 37 3HB ARG 37 -6.495 -11.310 -15.266 132 HG2 ARG 37 2HG ARG 37 -7.538 -13.786 -16.537 133 HG3 ARG 37 3HG ARG 37 -8.630 -12.808 -15.554 134 HD2 ARG 37 2HD ARG 37 -8.932 -11.886 -17.645 135 HD3 ARG 37 3HD ARG 37 -7.691 -10.834 -16.968 136 HE ARG 37 HE ARG 37 -6.578 -13.028 -18.417 137 HH11 ARG 37 1HH1 ARG 37 -8.011 -9.873 -18.753 138 HH12 ARG 37 2HH1 ARG 37 -7.226 -9.534 -20.260 139 HH21 ARG 37 1HH2 ARG 37 -5.539 -12.593 -20.400 140 HH22 ARG 37 2HH2 ARG 37 -5.821 -11.082 -21.196 141 H ARG 38 H ARG 38 -4.785 -11.734 -13.536 142 HA ARG 38 HA ARG 38 -3.214 -9.601 -14.323 143 HB2 ARG 38 2HB ARG 38 -3.058 -11.083 -11.692 144 HB3 ARG 38 3HB ARG 38 -2.497 -9.443 -11.989 145 HG2 ARG 38 2HG ARG 38 -5.360 -10.279 -12.347 146 HG3 ARG 38 3HG ARG 38 -4.715 -9.660 -10.825 147 HD2 ARG 38 2HD ARG 38 -4.423 -8.157 -13.409 148 HD3 ARG 38 3HD ARG 38 -5.856 -7.995 -12.394 149 HE ARG 38 HE ARG 38 -3.490 -7.596 -10.881 150 HH11 ARG 38 1HH1 ARG 38 -5.574 -6.057 -13.207 151 HH12 ARG 38 2HH1 ARG 38 -5.175 -4.451 -12.696 152 HH21 ARG 38 1HH2 ARG 38 -2.957 -5.486 -10.199 153 HH22 ARG 38 2HH2 ARG 38 -3.685 -4.127 -10.986 154 H GLY 39 H GLY 39 -2.319 -12.927 -13.788 155 HA2 GLY 39 2HA GLY 39 -0.393 -13.881 -14.812 156 HA3 GLY 39 3HA GLY 39 0.373 -12.300 -14.775 157 H THR 40 H THR 40 -1.284 -13.642 -12.007 158 HA THR 40 HA THR 40 1.330 -14.011 -10.692 159 HB THR 40 HB THR 40 0.041 -12.052 -9.835 160 HG1 THR 40 HG1 THR 40 1.357 -12.785 -8.291 161 HG21 THR 40 1HG2 THR 40 -2.217 -12.942 -10.127 162 HG22 THR 40 2HG2 THR 40 -1.941 -12.469 -8.451 163 HG23 THR 40 3HG2 THR 40 -1.898 -14.173 -8.906 164 H THR 41 H THR 41 1.033 -15.394 -8.615 165 HA THR 41 HA THR 41 -0.378 -17.833 -9.433 166 HB THR 41 HB THR 41 1.044 -18.799 -7.463 167 HG1 THR 41 HG1 THR 41 2.837 -16.751 -8.157 168 HG21 THR 41 1HG2 THR 41 2.619 -17.940 -9.870 169 HG22 THR 41 2HG2 THR 41 1.297 -19.099 -10.013 170 HG23 THR 41 3HG2 THR 41 2.684 -19.465 -8.988 171 H VAL 42 H VAL 42 -1.815 -18.889 -8.097 172 HA VAL 42 HA VAL 42 -3.499 -17.418 -6.482 173 HB VAL 42 HB VAL 42 -2.966 -20.386 -6.288 174 HG11 VAL 42 1HG1 VAL 42 -4.181 -19.804 -4.366 175 HG12 VAL 42 2HG1 VAL 42 -5.180 -18.645 -5.244 176 HG13 VAL 42 3HG1 VAL 42 -5.394 -20.376 -5.511 177 HG21 VAL 42 1HG2 VAL 42 -5.376 -19.578 -7.670 178 HG22 VAL 42 2HG2 VAL 42 -3.933 -18.924 -8.444 179 HG23 VAL 42 3HG2 VAL 42 -4.088 -20.662 -8.194 180 H ASP 43 H ASP 43 -0.698 -19.366 -5.545 181 HA ASP 43 HA ASP 43 -0.953 -19.297 -2.792 182 HB2 ASP 43 2HB ASP 43 1.529 -19.227 -4.515 183 HB3 ASP 43 3HB ASP 43 1.570 -19.437 -2.766 184 H VAL 44 H VAL 44 0.549 -16.897 -4.931 185 HA VAL 44 HA VAL 44 1.334 -15.143 -2.833 186 HB VAL 44 HB VAL 44 0.897 -14.530 -5.760 187 HG11 VAL 44 1HG1 VAL 44 1.124 -12.414 -5.054 188 HG12 VAL 44 2HG1 VAL 44 1.741 -12.905 -3.476 189 HG13 VAL 44 3HG1 VAL 44 2.828 -12.825 -4.863 190 HG21 VAL 44 1HG2 VAL 44 2.562 -16.343 -5.197 191 HG22 VAL 44 2HG2 VAL 44 3.202 -14.969 -6.099 192 HG23 VAL 44 3HG2 VAL 44 3.503 -15.104 -4.366 193 H ILE 45 H ILE 45 -1.415 -15.171 -5.082 194 HA ILE 45 HA ILE 45 -2.626 -12.791 -4.389 195 HB ILE 45 HB ILE 45 -4.013 -15.389 -5.060 196 HG12 ILE 45 2HG1 ILE 45 -3.342 -13.108 -6.919 197 HG13 ILE 45 3HG1 ILE 45 -2.276 -14.491 -6.694 198 HG21 ILE 45 1HG2 ILE 45 -5.727 -13.663 -5.982 199 HG22 ILE 45 2HG2 ILE 45 -5.722 -14.058 -4.264 200 HG23 ILE 45 3HG2 ILE 45 -4.966 -12.568 -4.828 201 HD11 ILE 45 1HD1 ILE 45 -3.601 -15.874 -7.882 202 HD12 ILE 45 2HD1 ILE 45 -5.088 -15.086 -7.354 203 HD13 ILE 45 3HD1 ILE 45 -4.105 -14.356 -8.623 204 H GLN 46 H GLN 46 -2.897 -15.942 -2.798 205 HA GLN 46 HA GLN 46 -4.770 -14.999 -0.838 206 HB2 GLN 46 2HB GLN 46 -3.252 -17.544 -1.273 207 HB3 GLN 46 3HB GLN 46 -4.034 -17.253 0.275 208 HG2 GLN 46 2HG GLN 46 -5.699 -16.800 -2.110 209 HG3 GLN 46 3HG GLN 46 -5.221 -18.469 -1.802 210 HE21 GLN 46 1HE2 GLN 46 -6.777 -15.653 -0.379 211 HE22 GLN 46 2HE2 GLN 46 -7.770 -16.532 0.729 212 H SER 47 H SER 47 -1.298 -15.676 -0.910 213 HA SER 47 HA SER 47 -0.699 -15.347 1.774 214 HB2 SER 47 2HB SER 47 0.846 -16.046 -0.158 215 HB3 SER 47 3HB SER 47 1.100 -14.320 -0.416 216 HG SER 47 HG SER 47 2.687 -15.127 0.966 217 H LEU 48 H LEU 48 -1.221 -12.925 -0.721 218 HA LEU 48 HA LEU 48 -0.360 -10.701 0.829 219 HB2 LEU 48 2HB LEU 48 -1.786 -11.116 -1.732 220 HB3 LEU 48 3HB LEU 48 -2.007 -9.557 -0.940 221 HG LEU 48 HG LEU 48 0.647 -10.740 -1.755 222 HD11 LEU 48 1HD1 LEU 48 -1.134 -9.839 -3.497 223 HD12 LEU 48 2HD1 LEU 48 0.590 -9.513 -3.668 224 HD13 LEU 48 3HD1 LEU 48 -0.476 -8.285 -2.984 225 HD21 LEU 48 1HD2 LEU 48 -0.004 -8.711 0.109 226 HD22 LEU 48 2HD2 LEU 48 0.697 -7.931 -1.309 227 HD23 LEU 48 3HD2 LEU 48 1.589 -9.200 -0.468 228 H ASN 49 H ASN 49 -3.308 -12.503 0.620 229 HA ASN 49 HA ASN 49 -4.521 -10.671 2.576 230 HB2 ASN 49 2HB ASN 49 -6.088 -12.121 0.438 231 HB3 ASN 49 3HB ASN 49 -6.679 -10.893 1.555 232 HD21 ASN 49 1HD2 ASN 49 -4.649 -11.485 -1.232 233 HD22 ASN 49 2HD2 ASN 49 -4.639 -9.857 -1.810 234 HA PRO 50 HA PRO 50 -4.338 -15.019 4.197 235 HB2 PRO 50 2HB PRO 50 -3.409 -14.314 6.649 236 HB3 PRO 50 3HB PRO 50 -2.346 -14.615 5.269 237 HG2 PRO 50 2HG PRO 50 -3.320 -12.010 6.376 238 HG3 PRO 50 3HG PRO 50 -1.696 -12.451 5.816 239 HD2 PRO 50 2HD PRO 50 -3.425 -11.025 4.296 240 HD3 PRO 50 3HD PRO 50 -2.244 -12.151 3.597 241 H GLY 51 H GLY 51 -5.728 -12.014 5.265 242 HA2 GLY 51 2HA GLY 51 -7.291 -13.050 7.404 243 HA3 GLY 51 3HA GLY 51 -7.556 -11.524 6.574 244 H VAL 52 H VAL 52 -7.859 -12.690 3.950 245 HA VAL 52 HA VAL 52 -10.602 -13.656 4.257 246 HB VAL 52 HB VAL 52 -10.903 -13.129 1.910 247 HG11 VAL 52 1HG1 VAL 52 -10.359 -11.275 3.934 248 HG12 VAL 52 2HG1 VAL 52 -9.559 -10.653 2.489 249 HG13 VAL 52 3HG1 VAL 52 -11.287 -11.010 2.458 250 HG21 VAL 52 1HG2 VAL 52 -8.987 -11.967 0.708 251 HG22 VAL 52 2HG2 VAL 52 -7.938 -12.627 1.963 252 HG23 VAL 52 3HG2 VAL 52 -8.849 -13.714 0.914 253 H VAL 53 H VAL 53 -11.384 -15.439 2.994 254 HA VAL 53 HA VAL 53 -9.369 -17.271 1.932 255 HB VAL 53 HB VAL 53 -10.583 -19.170 3.152 256 HG11 VAL 53 1HG1 VAL 53 -9.129 -17.486 5.125 257 HG12 VAL 53 2HG1 VAL 53 -8.941 -19.198 4.743 258 HG13 VAL 53 3HG1 VAL 53 -8.285 -17.973 3.656 259 HG21 VAL 53 1HG2 VAL 53 -11.594 -18.551 5.307 260 HG22 VAL 53 2HG2 VAL 53 -11.437 -16.847 4.880 261 HG23 VAL 53 3HG2 VAL 53 -12.497 -17.898 3.941 262 HA PRO 54 HA PRO 54 -12.386 -18.149 -1.133 263 HB2 PRO 54 2HB PRO 54 -11.830 -20.742 -1.713 264 HB3 PRO 54 3HB PRO 54 -10.779 -19.404 -2.192 265 HG2 PRO 54 2HG PRO 54 -10.523 -21.275 0.131 266 HG3 PRO 54 3HG PRO 54 -9.269 -20.691 -0.979 267 HD2 PRO 54 2HD PRO 54 -9.624 -19.651 1.496 268 HD3 PRO 54 3HD PRO 54 -9.053 -18.679 0.125 269 H THR 55 H THR 55 -12.224 -20.196 1.693 270 HA THR 55 HA THR 55 -14.439 -21.830 1.299 271 HB THR 55 HB THR 55 -14.622 -21.767 3.862 272 HG1 THR 55 HG1 THR 55 -13.454 -20.306 4.835 273 HG21 THR 55 1HG2 THR 55 -13.326 -23.569 3.680 274 HG22 THR 55 2HG2 THR 55 -11.892 -22.549 3.572 275 HG23 THR 55 3HG2 THR 55 -12.768 -22.996 2.109 276 H ARG 56 H ARG 56 -14.256 -18.559 2.649 277 HA ARG 56 HA ARG 56 -17.198 -18.435 2.569 278 HB2 ARG 56 2HB ARG 56 -16.865 -16.460 4.150 279 HB3 ARG 56 3HB ARG 56 -16.544 -18.062 4.801 280 HG2 ARG 56 2HG ARG 56 -14.262 -17.724 4.869 281 HG3 ARG 56 3HG ARG 56 -14.313 -16.444 3.656 282 HD2 ARG 56 2HD ARG 56 -15.696 -16.058 6.274 283 HD3 ARG 56 3HD ARG 56 -13.947 -15.862 6.177 284 HE ARG 56 HE ARG 56 -14.899 -14.339 4.132 285 HH11 ARG 56 1HH1 ARG 56 -15.515 -14.491 7.555 286 HH12 ARG 56 2HH1 ARG 56 -15.894 -12.806 7.695 287 HH21 ARG 56 1HH2 ARG 56 -15.395 -12.119 4.303 288 HH22 ARG 56 2HH2 ARG 56 -15.826 -11.458 5.844 289 H LEU 57 H LEU 57 -16.110 -18.110 0.167 290 HA LEU 57 HA LEU 57 -15.125 -15.655 -0.619 291 HB2 LEU 57 2HB LEU 57 -16.740 -17.769 -1.939 292 HB3 LEU 57 3HB LEU 57 -16.595 -16.215 -2.757 293 HG LEU 57 HG LEU 57 -14.223 -17.857 -1.888 294 HD11 LEU 57 1HD1 LEU 57 -15.384 -19.210 -3.457 295 HD12 LEU 57 2HD1 LEU 57 -14.061 -18.432 -4.324 296 HD13 LEU 57 3HD1 LEU 57 -15.708 -17.830 -4.506 297 HD21 LEU 57 1HD2 LEU 57 -14.257 -15.259 -2.477 298 HD22 LEU 57 2HD2 LEU 57 -14.160 -15.904 -4.116 299 HD23 LEU 57 3HD2 LEU 57 -12.920 -16.317 -2.930 300 H GLN 58 H GLN 58 -16.113 -13.791 -1.542 301 HA GLN 58 HA GLN 58 -18.956 -13.387 -1.099 302 HB2 GLN 58 2HB GLN 58 -16.811 -12.067 0.492 303 HB3 GLN 58 3HB GLN 58 -18.201 -11.097 0.021 304 HG2 GLN 58 2HG GLN 58 -19.672 -12.800 1.065 305 HG3 GLN 58 3HG GLN 58 -18.228 -13.633 1.639 306 HE21 GLN 58 1HE2 GLN 58 -19.026 -13.323 3.772 307 HE22 GLN 58 2HE2 GLN 58 -18.836 -11.802 4.569 308 H VAL 59 H VAL 59 -19.474 -12.830 -3.127 309 HA VAL 59 HA VAL 59 -17.821 -11.491 -4.951 310 HB VAL 59 HB VAL 59 -19.785 -11.186 -6.328 311 HG11 VAL 59 1HG1 VAL 59 -20.206 -13.812 -4.940 312 HG12 VAL 59 2HG1 VAL 59 -20.349 -13.430 -6.657 313 HG13 VAL 59 3HG1 VAL 59 -18.759 -13.496 -5.896 314 HG21 VAL 59 1HG2 VAL 59 -21.209 -11.539 -3.739 315 HG22 VAL 59 2HG2 VAL 59 -21.519 -10.403 -5.053 316 HG23 VAL 59 3HG2 VAL 59 -21.998 -12.093 -5.216 317 H GLY 60 H GLY 60 -17.496 -9.382 -5.447 318 HA2 GLY 60 2HA GLY 60 -17.892 -7.076 -5.447 319 HA3 GLY 60 3HA GLY 60 -19.198 -7.322 -4.298 320 H GLN 61 H GLN 61 -15.797 -8.316 -4.106 321 HA GLN 61 HA GLN 61 -15.458 -6.489 -1.829 322 HB2 GLN 61 2HB GLN 61 -15.865 -9.035 -1.312 323 HB3 GLN 61 3HB GLN 61 -14.175 -9.190 -1.773 324 HG2 GLN 61 2HG GLN 61 -13.593 -7.505 -0.065 325 HG3 GLN 61 3HG GLN 61 -15.284 -7.469 0.432 326 HE21 GLN 61 1HE2 GLN 61 -12.964 -10.037 -0.365 327 HE22 GLN 61 2HE2 GLN 61 -13.210 -10.943 1.085 328 H VAL 62 H VAL 62 -13.575 -5.398 -1.780 329 HA VAL 62 HA VAL 62 -11.738 -5.803 -4.010 330 HB VAL 62 HB VAL 62 -11.703 -3.592 -1.954 331 HG11 VAL 62 1HG1 VAL 62 -10.364 -2.399 -3.588 332 HG12 VAL 62 2HG1 VAL 62 -9.606 -3.943 -3.192 333 HG13 VAL 62 3HG1 VAL 62 -10.486 -3.754 -4.709 334 HG21 VAL 62 1HG2 VAL 62 -13.226 -3.889 -4.513 335 HG22 VAL 62 2HG2 VAL 62 -13.778 -3.290 -2.949 336 HG23 VAL 62 3HG2 VAL 62 -12.723 -2.294 -3.952 337 H ILE 63 H ILE 63 -9.791 -6.702 -3.812 338 HA ILE 63 HA ILE 63 -8.716 -7.103 -1.096 339 HB ILE 63 HB ILE 63 -7.606 -9.138 -1.953 340 HG12 ILE 63 2HG1 ILE 63 -9.395 -9.083 -4.351 341 HG13 ILE 63 3HG1 ILE 63 -7.871 -8.204 -4.406 342 HG21 ILE 63 1HG2 ILE 63 -10.585 -9.215 -2.394 343 HG22 ILE 63 2HG2 ILE 63 -9.542 -10.548 -1.902 344 HG23 ILE 63 3HG2 ILE 63 -9.815 -9.193 -0.807 345 HD11 ILE 63 1HD1 ILE 63 -6.635 -10.216 -4.006 346 HD12 ILE 63 2HD1 ILE 63 -8.123 -11.127 -3.750 347 HD13 ILE 63 3HD1 ILE 63 -7.747 -10.482 -5.348 348 H ASN 64 H ASN 64 -6.235 -7.787 -1.391 349 HA ASN 64 HA ASN 64 -5.013 -5.525 -2.796 350 HB2 ASN 64 2HB ASN 64 -4.279 -7.158 -0.414 351 HB3 ASN 64 3HB ASN 64 -2.967 -6.478 -1.373 352 HD21 ASN 64 1HD2 ASN 64 -5.059 -5.935 1.135 353 HD22 ASN 64 2HD2 ASN 64 -4.920 -4.216 1.243 354 H VAL 65 H VAL 65 -3.516 -5.766 -4.383 355 HA VAL 65 HA VAL 65 -2.493 -8.429 -5.005 356 HB VAL 65 HB VAL 65 -3.026 -7.976 -7.470 357 HG11 VAL 65 1HG1 VAL 65 -4.793 -9.392 -7.317 358 HG12 VAL 65 2HG1 VAL 65 -4.224 -9.515 -5.651 359 HG13 VAL 65 3HG1 VAL 65 -5.577 -8.455 -6.046 360 HG21 VAL 65 1HG2 VAL 65 -4.513 -6.375 -8.088 361 HG22 VAL 65 2HG2 VAL 65 -5.395 -6.447 -6.562 362 HG23 VAL 65 3HG2 VAL 65 -3.865 -5.575 -6.656 363 HA PRO 66 HA PRO 66 1.193 -6.289 -6.052 364 HB2 PRO 66 2HB PRO 66 2.209 -7.882 -8.002 365 HB3 PRO 66 3HB PRO 66 2.184 -8.348 -6.297 366 HG2 PRO 66 2HG PRO 66 0.316 -9.130 -8.501 367 HG3 PRO 66 3HG PRO 66 1.021 -10.136 -7.222 368 HD2 PRO 66 2HD PRO 66 -1.512 -9.185 -7.099 369 HD3 PRO 66 3HD PRO 66 -0.514 -9.435 -5.652 370 H CYS 67 H CYS 67 0.964 -4.354 -7.018 371 HA CYS 67 HA CYS 67 -0.364 -3.933 -9.483 372 HB2 CYS 67 2HB CYS 67 0.213 -2.286 -7.505 373 HB3 CYS 67 3HB CYS 67 1.664 -1.989 -8.457 Start of MODEL 3 1 H1 MET 19 H MET 19 2.275 3.147 -0.954 2 HA MET 19 HA MET 19 0.152 1.606 -1.855 3 HB2 MET 19 2HB MET 19 1.474 4.066 -2.972 4 HB3 MET 19 3HB MET 19 0.090 3.330 -3.769 5 HG2 MET 19 2HG MET 19 0.011 4.110 -0.877 6 HG3 MET 19 3HG MET 19 -0.337 5.263 -2.163 7 HE1 MET 19 1HE MET 19 -2.319 5.799 -2.870 8 HE2 MET 19 2HE MET 19 -3.846 4.919 -2.808 9 HE3 MET 19 3HE MET 19 -3.166 5.610 -1.334 10 H GLY 20 H GLY 20 -0.245 0.368 -3.658 11 HA2 GLY 20 2HA GLY 20 1.896 -0.001 -5.614 12 HA3 GLY 20 3HA GLY 20 1.423 -1.408 -4.674 13 H CYS 21 H CYS 21 -0.086 -2.669 -5.528 14 HA CYS 21 HA CYS 21 -2.022 -1.479 -7.398 15 HB2 CYS 21 2HB CYS 21 -0.300 -3.913 -7.780 16 HB3 CYS 21 3HB CYS 21 -1.844 -3.766 -8.613 17 H THR 22 H THR 22 -4.091 -2.219 -7.258 18 HA THR 22 HA THR 22 -4.637 -4.451 -5.427 19 HB THR 22 HB THR 22 -6.582 -3.184 -4.508 20 HG1 THR 22 HG1 THR 22 -6.661 -0.953 -4.871 21 HG21 THR 22 1HG2 THR 22 -5.347 -2.151 -2.838 22 HG22 THR 22 2HG2 THR 22 -4.109 -1.587 -3.961 23 HG23 THR 22 3HG2 THR 22 -4.181 -3.290 -3.510 24 H TYR 23 H TYR 23 -6.573 -5.578 -5.815 25 HA TYR 23 HA TYR 23 -7.851 -4.971 -8.401 26 HB2 TYR 23 2HB TYR 23 -6.491 -6.949 -8.653 27 HB3 TYR 23 3HB TYR 23 -7.182 -7.664 -7.200 28 HD1 TYR 23 HD1 TYR 23 -9.345 -8.723 -7.245 29 HD2 TYR 23 HD2 TYR 23 -7.798 -6.828 -10.726 30 HE1 TYR 23 HE1 TYR 23 -11.081 -9.814 -8.603 31 HE2 TYR 23 HE2 TYR 23 -9.531 -7.912 -12.093 32 HH TYR 23 HH TYR 23 -10.967 -10.002 -11.925 33 H THR 24 H THR 24 -10.067 -5.305 -8.581 34 HA THR 24 HA THR 24 -11.481 -5.445 -6.010 35 HB THR 24 HB THR 24 -12.519 -4.439 -8.667 36 HG1 THR 24 HG1 THR 24 -11.852 -2.846 -6.419 37 HG21 THR 24 1HG2 THR 24 -13.987 -3.309 -6.614 38 HG22 THR 24 2HG2 THR 24 -13.759 -4.978 -6.091 39 HG23 THR 24 3HG2 THR 24 -14.504 -4.637 -7.652 40 H ILE 25 H ILE 25 -12.142 -7.445 -5.553 41 HA ILE 25 HA ILE 25 -12.771 -9.360 -7.607 42 HB ILE 25 HB ILE 25 -13.261 -9.638 -4.644 43 HG12 ILE 25 2HG1 ILE 25 -10.779 -10.321 -6.235 44 HG13 ILE 25 3HG1 ILE 25 -10.918 -9.024 -5.054 45 HG21 ILE 25 1HG2 ILE 25 -13.172 -12.008 -5.063 46 HG22 ILE 25 2HG2 ILE 25 -14.360 -11.275 -6.140 47 HG23 ILE 25 3HG2 ILE 25 -12.772 -11.730 -6.758 48 HD11 ILE 25 1HD1 ILE 25 -11.249 -10.628 -3.283 49 HD12 ILE 25 2HD1 ILE 25 -11.227 -11.954 -4.447 50 HD13 ILE 25 3HD1 ILE 25 -9.770 -11.000 -4.169 51 H GLN 26 H GLN 26 -14.612 -9.106 -8.707 52 HA GLN 26 HA GLN 26 -17.043 -8.362 -7.229 53 HB2 GLN 26 2HB GLN 26 -16.112 -7.899 -10.019 54 HB3 GLN 26 3HB GLN 26 -17.840 -8.093 -9.756 55 HG2 GLN 26 2HG GLN 26 -17.412 -6.314 -7.866 56 HG3 GLN 26 3HG GLN 26 -16.015 -5.926 -8.868 57 HE21 GLN 26 1HE2 GLN 26 -16.347 -5.149 -10.971 58 HE22 GLN 26 2HE2 GLN 26 -17.856 -4.461 -11.453 59 HA PRO 27 HA PRO 27 -19.230 -12.123 -7.671 60 HB2 PRO 27 2HB PRO 27 -21.120 -10.735 -9.515 61 HB3 PRO 27 3HB PRO 27 -21.458 -11.685 -8.063 62 HG2 PRO 27 2HG PRO 27 -21.569 -9.008 -8.037 63 HG3 PRO 27 3HG PRO 27 -20.982 -9.929 -6.640 64 HD2 PRO 27 2HD PRO 27 -19.487 -8.302 -8.603 65 HD3 PRO 27 3HD PRO 27 -19.123 -8.650 -6.900 66 H GLY 28 H GLY 28 -18.487 -13.768 -8.850 67 HA2 GLY 28 2HA GLY 28 -18.670 -15.040 -10.900 68 HA3 GLY 28 3HA GLY 28 -18.565 -13.527 -11.788 69 H ASP 29 H ASP 29 -16.370 -12.694 -9.849 70 HA ASP 29 HA ASP 29 -14.204 -13.845 -11.405 71 HB2 ASP 29 2HB ASP 29 -13.923 -11.790 -9.219 72 HB3 ASP 29 3HB ASP 29 -12.851 -12.083 -10.586 73 H THR 30 H THR 30 -12.723 -15.261 -10.681 74 HA THR 30 HA THR 30 -12.862 -16.043 -7.841 75 HB THR 30 HB THR 30 -11.799 -18.215 -9.277 76 HG1 THR 30 HG1 THR 30 -12.676 -17.717 -11.200 77 HG21 THR 30 1HG2 THR 30 -14.150 -19.171 -8.678 78 HG22 THR 30 2HG2 THR 30 -14.363 -17.630 -7.847 79 HG23 THR 30 3HG2 THR 30 -13.044 -18.707 -7.386 80 H PHE 31 H PHE 31 -10.877 -16.977 -6.963 81 HA PHE 31 HA PHE 31 -8.652 -15.367 -7.329 82 HB2 PHE 31 2HB PHE 31 -9.070 -18.046 -6.057 83 HB3 PHE 31 3HB PHE 31 -7.435 -17.412 -6.218 84 HD1 PHE 31 HD1 PHE 31 -9.962 -17.760 -3.976 85 HD2 PHE 31 HD2 PHE 31 -7.432 -14.726 -5.561 86 HE1 PHE 31 HE1 PHE 31 -10.285 -16.428 -1.933 87 HE2 PHE 31 HE2 PHE 31 -7.750 -13.390 -3.520 88 HZ PHE 31 HZ PHE 31 -9.177 -14.241 -1.702 89 H TRP 32 H TRP 32 -9.181 -18.673 -8.538 90 HA TRP 32 HA TRP 32 -6.788 -19.050 -9.860 91 HB2 TRP 32 2HB TRP 32 -8.693 -20.711 -9.541 92 HB3 TRP 32 3HB TRP 32 -9.441 -19.979 -10.958 93 HD1 TRP 32 HD1 TRP 32 -5.754 -21.068 -10.382 94 HE1 TRP 32 HE1 TRP 32 -5.086 -22.633 -12.313 95 HE3 TRP 32 HE3 TRP 32 -10.222 -21.251 -12.860 96 HZ2 TRP 32 HZ2 TRP 32 -6.293 -23.792 -14.586 97 HZ3 TRP 32 HZ3 TRP 32 -10.381 -22.610 -14.905 98 HH2 TRP 32 HH2 TRP 32 -8.456 -23.853 -15.749 99 H ALA 33 H ALA 33 -9.808 -17.788 -11.281 100 HA ALA 33 HA ALA 33 -8.850 -17.213 -13.814 101 HB1 ALA 33 1HB ALA 33 -11.247 -17.034 -12.765 102 HB2 ALA 33 2HB ALA 33 -10.795 -15.342 -12.550 103 HB3 ALA 33 3HB ALA 33 -10.800 -16.055 -14.163 104 H ILE 34 H ILE 34 -9.110 -14.943 -11.071 105 HA ILE 34 HA ILE 34 -7.900 -12.753 -12.260 106 HB ILE 34 HB ILE 34 -7.723 -13.571 -9.357 107 HG12 ILE 34 2HG1 ILE 34 -9.651 -11.602 -10.576 108 HG13 ILE 34 3HG1 ILE 34 -10.032 -13.317 -10.462 109 HG21 ILE 34 1HG2 ILE 34 -7.634 -10.944 -9.209 110 HG22 ILE 34 2HG2 ILE 34 -6.172 -11.894 -9.468 111 HG23 ILE 34 3HG2 ILE 34 -6.961 -11.102 -10.832 112 HD11 ILE 34 1HD1 ILE 34 -9.794 -13.214 -8.042 113 HD12 ILE 34 2HD1 ILE 34 -9.391 -11.500 -8.151 114 HD13 ILE 34 3HD1 ILE 34 -10.996 -12.061 -8.620 115 H ALA 35 H ALA 35 -6.456 -15.613 -10.857 116 HA ALA 35 HA ALA 35 -3.800 -14.632 -10.690 117 HB1 ALA 35 1HB ALA 35 -4.060 -17.505 -11.153 118 HB2 ALA 35 2HB ALA 35 -3.337 -16.633 -9.801 119 HB3 ALA 35 3HB ALA 35 -5.080 -16.897 -9.849 120 H GLN 36 H GLN 36 -5.264 -16.906 -13.024 121 HA GLN 36 HA GLN 36 -3.083 -16.905 -14.796 122 HB2 GLN 36 2HB GLN 36 -4.624 -17.926 -16.406 123 HB3 GLN 36 3HB GLN 36 -4.785 -18.658 -14.816 124 HG2 GLN 36 2HG GLN 36 -6.768 -17.232 -14.412 125 HG3 GLN 36 3HG GLN 36 -6.632 -16.640 -16.067 126 HE21 GLN 36 1HE2 GLN 36 -7.266 -19.443 -14.073 127 HE22 GLN 36 2HE2 GLN 36 -8.093 -20.357 -15.283 128 H ARG 37 H ARG 37 -5.721 -14.702 -14.364 129 HA ARG 37 HA ARG 37 -5.490 -13.450 -16.935 130 HB2 ARG 37 2HB ARG 37 -7.592 -13.439 -15.623 131 HB3 ARG 37 3HB ARG 37 -6.811 -12.429 -14.415 132 HG2 ARG 37 2HG ARG 37 -8.241 -11.143 -15.935 133 HG3 ARG 37 3HG ARG 37 -6.550 -10.643 -16.020 134 HD2 ARG 37 2HD ARG 37 -7.511 -12.727 -17.914 135 HD3 ARG 37 3HD ARG 37 -7.988 -11.053 -18.198 136 HE ARG 37 HE ARG 37 -5.364 -12.191 -18.522 137 HH11 ARG 37 1HH1 ARG 37 -7.191 -9.272 -18.014 138 HH12 ARG 37 2HH1 ARG 37 -5.964 -8.236 -18.664 139 HH21 ARG 37 1HH2 ARG 37 -3.741 -10.837 -19.379 140 HH22 ARG 37 2HH2 ARG 37 -4.002 -9.127 -19.440 141 H ARG 38 H ARG 38 -5.029 -12.013 -13.706 142 HA ARG 38 HA ARG 38 -3.546 -9.824 -14.530 143 HB2 ARG 38 2HB ARG 38 -3.456 -11.317 -11.904 144 HB3 ARG 38 3HB ARG 38 -2.706 -9.749 -12.173 145 HG2 ARG 38 2HG ARG 38 -5.633 -10.211 -12.638 146 HG3 ARG 38 3HG ARG 38 -4.986 -9.780 -11.054 147 HD2 ARG 38 2HD ARG 38 -4.696 -8.185 -13.598 148 HD3 ARG 38 3HD ARG 38 -5.756 -7.800 -12.242 149 HE ARG 38 HE ARG 38 -3.281 -7.933 -11.124 150 HH11 ARG 38 1HH1 ARG 38 -4.658 -6.167 -13.789 151 HH12 ARG 38 2HH1 ARG 38 -3.598 -4.809 -13.606 152 HH21 ARG 38 1HH2 ARG 38 -1.880 -6.150 -10.872 153 HH22 ARG 38 2HH2 ARG 38 -2.018 -4.800 -11.947 154 H GLY 39 H GLY 39 -2.540 -13.119 -13.985 155 HA2 GLY 39 2HA GLY 39 -0.596 -13.980 -15.092 156 HA3 GLY 39 3HA GLY 39 0.139 -12.389 -14.959 157 H THR 40 H THR 40 -1.518 -13.680 -12.217 158 HA THR 40 HA THR 40 1.081 -14.269 -10.953 159 HB THR 40 HB THR 40 0.001 -12.202 -10.076 160 HG1 THR 40 HG1 THR 40 0.443 -12.747 -7.966 161 HG21 THR 40 1HG2 THR 40 -1.990 -12.451 -8.637 162 HG22 THR 40 2HG2 THR 40 -2.132 -14.131 -9.153 163 HG23 THR 40 3HG2 THR 40 -2.333 -12.829 -10.325 164 H THR 41 H THR 41 0.730 -15.628 -8.881 165 HA THR 41 HA THR 41 -0.918 -17.928 -9.648 166 HB THR 41 HB THR 41 0.449 -19.051 -7.757 167 HG1 THR 41 HG1 THR 41 2.520 -17.991 -7.493 168 HG21 THR 41 1HG2 THR 41 0.708 -19.324 -10.276 169 HG22 THR 41 2HG2 THR 41 2.121 -19.707 -9.292 170 HG23 THR 41 3HG2 THR 41 2.038 -18.172 -10.157 171 H VAL 42 H VAL 42 -2.408 -18.853 -8.271 172 HA VAL 42 HA VAL 42 -3.917 -17.234 -6.624 173 HB VAL 42 HB VAL 42 -4.800 -19.320 -7.475 174 HG11 VAL 42 1HG1 VAL 42 -4.094 -21.479 -6.667 175 HG12 VAL 42 2HG1 VAL 42 -2.696 -20.614 -7.308 176 HG13 VAL 42 3HG1 VAL 42 -2.941 -20.728 -5.564 177 HG21 VAL 42 1HG2 VAL 42 -6.244 -19.322 -5.788 178 HG22 VAL 42 2HG2 VAL 42 -5.087 -20.168 -4.761 179 HG23 VAL 42 3HG2 VAL 42 -5.086 -18.405 -4.823 180 H ASP 43 H ASP 43 -1.202 -19.319 -5.787 181 HA ASP 43 HA ASP 43 -1.400 -19.264 -3.014 182 HB2 ASP 43 2HB ASP 43 0.946 -19.491 -4.883 183 HB3 ASP 43 3HB ASP 43 1.176 -19.479 -3.136 184 H VAL 44 H VAL 44 0.230 -16.990 -5.198 185 HA VAL 44 HA VAL 44 1.186 -15.296 -3.119 186 HB VAL 44 HB VAL 44 0.763 -14.664 -6.044 187 HG11 VAL 44 1HG1 VAL 44 1.331 -12.582 -5.522 188 HG12 VAL 44 2HG1 VAL 44 1.551 -13.026 -3.828 189 HG13 VAL 44 3HG1 VAL 44 2.892 -13.183 -4.964 190 HG21 VAL 44 1HG2 VAL 44 3.341 -15.422 -4.693 191 HG22 VAL 44 2HG2 VAL 44 2.288 -16.607 -5.467 192 HG23 VAL 44 3HG2 VAL 44 3.004 -15.308 -6.420 193 H ILE 45 H ILE 45 -1.616 -15.174 -5.287 194 HA ILE 45 HA ILE 45 -2.621 -12.684 -4.630 195 HB ILE 45 HB ILE 45 -4.216 -15.183 -5.210 196 HG12 ILE 45 2HG1 ILE 45 -3.466 -13.005 -7.153 197 HG13 ILE 45 3HG1 ILE 45 -2.438 -14.410 -6.893 198 HG21 ILE 45 1HG2 ILE 45 -5.738 -13.632 -4.335 199 HG22 ILE 45 2HG2 ILE 45 -4.951 -12.275 -5.139 200 HG23 ILE 45 3HG2 ILE 45 -5.872 -13.446 -6.083 201 HD11 ILE 45 1HD1 ILE 45 -4.312 -14.287 -8.787 202 HD12 ILE 45 2HD1 ILE 45 -3.821 -15.793 -8.009 203 HD13 ILE 45 3HD1 ILE 45 -5.276 -14.955 -7.470 204 H GLN 46 H GLN 46 -3.271 -15.797 -3.036 205 HA GLN 46 HA GLN 46 -4.936 -14.638 -1.024 206 HB2 GLN 46 2HB GLN 46 -4.810 -17.103 -1.907 207 HB3 GLN 46 3HB GLN 46 -3.567 -17.278 -0.675 208 HG2 GLN 46 2HG GLN 46 -5.383 -16.215 0.877 209 HG3 GLN 46 3HG GLN 46 -6.487 -16.794 -0.369 210 HE21 GLN 46 1HE2 GLN 46 -6.472 -19.065 -0.859 211 HE22 GLN 46 2HE2 GLN 46 -6.032 -20.206 0.361 212 H SER 47 H SER 47 -1.563 -15.694 -1.168 213 HA SER 47 HA SER 47 -0.874 -15.421 1.503 214 HB2 SER 47 2HB SER 47 0.649 -16.406 -0.122 215 HB3 SER 47 3HB SER 47 0.811 -14.858 -0.949 216 HG SER 47 HG SER 47 2.553 -15.278 0.490 217 H LEU 48 H LEU 48 -1.216 -12.974 -0.991 218 HA LEU 48 HA LEU 48 -0.063 -10.849 0.520 219 HB2 LEU 48 2HB LEU 48 -1.587 -11.111 -2.008 220 HB3 LEU 48 3HB LEU 48 -1.591 -9.531 -1.227 221 HG LEU 48 HG LEU 48 0.874 -11.044 -2.090 222 HD11 LEU 48 1HD1 LEU 48 -0.916 -9.762 -3.713 223 HD12 LEU 48 2HD1 LEU 48 0.791 -10.017 -4.071 224 HD13 LEU 48 3HD1 LEU 48 0.258 -8.492 -3.364 225 HD21 LEU 48 1HD2 LEU 48 1.544 -9.702 -0.308 226 HD22 LEU 48 2HD2 LEU 48 0.429 -8.405 -0.738 227 HD23 LEU 48 3HD2 LEU 48 1.863 -8.698 -1.723 228 H ASN 49 H ASN 49 -3.195 -12.315 0.381 229 HA ASN 49 HA ASN 49 -4.133 -10.420 2.415 230 HB2 ASN 49 2HB ASN 49 -5.997 -11.430 0.279 231 HB3 ASN 49 3HB ASN 49 -6.222 -10.078 1.384 232 HD21 ASN 49 1HD2 ASN 49 -4.503 -11.197 -1.451 233 HD22 ASN 49 2HD2 ASN 49 -4.120 -9.631 -2.072 234 HA PRO 50 HA PRO 50 -4.688 -14.854 3.680 235 HB2 PRO 50 2HB PRO 50 -3.671 -14.513 6.174 236 HB3 PRO 50 3HB PRO 50 -2.664 -14.875 4.767 237 HG2 PRO 50 2HG PRO 50 -3.198 -12.242 6.087 238 HG3 PRO 50 3HG PRO 50 -1.666 -12.900 5.482 239 HD2 PRO 50 2HD PRO 50 -3.123 -11.089 4.093 240 HD3 PRO 50 3HD PRO 50 -2.141 -12.336 3.298 241 H GLY 51 H GLY 51 -5.659 -11.759 4.853 242 HA2 GLY 51 2HA GLY 51 -7.239 -12.467 7.052 243 HA3 GLY 51 3HA GLY 51 -7.500 -11.061 6.031 244 H VAL 52 H VAL 52 -7.789 -12.925 3.666 245 HA VAL 52 HA VAL 52 -10.606 -13.599 4.170 246 HB VAL 52 HB VAL 52 -10.269 -12.008 2.358 247 HG11 VAL 52 1HG1 VAL 52 -8.109 -12.391 1.562 248 HG12 VAL 52 2HG1 VAL 52 -8.403 -14.114 1.319 249 HG13 VAL 52 3HG1 VAL 52 -9.146 -12.931 0.242 250 HG21 VAL 52 1HG2 VAL 52 -11.989 -13.940 2.286 251 HG22 VAL 52 2HG2 VAL 52 -11.705 -12.994 0.824 252 HG23 VAL 52 3HG2 VAL 52 -10.965 -14.585 1.003 253 H VAL 53 H VAL 53 -11.446 -15.596 3.604 254 HA VAL 53 HA VAL 53 -9.457 -17.679 2.969 255 HB VAL 53 HB VAL 53 -11.077 -19.234 4.206 256 HG11 VAL 53 1HG1 VAL 53 -9.253 -19.137 5.493 257 HG12 VAL 53 2HG1 VAL 53 -9.051 -17.404 5.229 258 HG13 VAL 53 3HG1 VAL 53 -10.158 -17.985 6.473 259 HG21 VAL 53 1HG2 VAL 53 -11.913 -16.767 5.678 260 HG22 VAL 53 2HG2 VAL 53 -12.821 -17.316 4.270 261 HG23 VAL 53 3HG2 VAL 53 -12.649 -18.369 5.674 262 HA PRO 54 HA PRO 54 -11.896 -18.898 -0.472 263 HB2 PRO 54 2HB PRO 54 -11.513 -21.585 -0.482 264 HB3 PRO 54 3HB PRO 54 -10.255 -20.433 -0.947 265 HG2 PRO 54 2HG PRO 54 -10.652 -21.858 1.656 266 HG3 PRO 54 3HG PRO 54 -9.152 -21.575 0.753 267 HD2 PRO 54 2HD PRO 54 -9.870 -20.076 2.891 268 HD3 PRO 54 3HD PRO 54 -8.945 -19.414 1.527 269 H THR 55 H THR 55 -12.469 -20.506 2.596 270 HA THR 55 HA THR 55 -14.888 -21.799 1.843 271 HB THR 55 HB THR 55 -14.397 -21.014 4.683 272 HG1 THR 55 HG1 THR 55 -12.820 -22.638 4.859 273 HG21 THR 55 1HG2 THR 55 -16.178 -22.421 4.686 274 HG22 THR 55 2HG2 THR 55 -14.914 -23.651 4.682 275 HG23 THR 55 3HG2 THR 55 -15.707 -23.195 3.174 276 H ARG 56 H ARG 56 -14.094 -18.622 3.062 277 HA ARG 56 HA ARG 56 -16.961 -17.959 3.169 278 HB2 ARG 56 2HB ARG 56 -14.714 -16.347 4.373 279 HB3 ARG 56 3HB ARG 56 -16.438 -16.196 4.687 280 HG2 ARG 56 2HG ARG 56 -14.761 -18.587 5.421 281 HG3 ARG 56 3HG ARG 56 -15.202 -17.280 6.522 282 HD2 ARG 56 2HD ARG 56 -17.299 -18.804 5.020 283 HD3 ARG 56 3HD ARG 56 -16.617 -19.441 6.516 284 HE ARG 56 HE ARG 56 -17.526 -16.740 6.776 285 HH11 ARG 56 1HH1 ARG 56 -18.524 -20.076 6.793 286 HH12 ARG 56 2HH1 ARG 56 -19.918 -19.789 7.781 287 HH21 ARG 56 1HH2 ARG 56 -19.358 -16.351 8.078 288 HH22 ARG 56 2HH2 ARG 56 -20.392 -17.670 8.511 289 H LEU 57 H LEU 57 -15.888 -18.111 0.670 290 HA LEU 57 HA LEU 57 -14.742 -15.747 -0.327 291 HB2 LEU 57 2HB LEU 57 -14.918 -18.014 -1.454 292 HB3 LEU 57 3HB LEU 57 -16.571 -17.567 -1.871 293 HG LEU 57 HG LEU 57 -14.321 -15.774 -2.672 294 HD11 LEU 57 1HD1 LEU 57 -14.243 -17.058 -4.832 295 HD12 LEU 57 2HD1 LEU 57 -15.092 -18.361 -4.001 296 HD13 LEU 57 3HD1 LEU 57 -13.495 -17.857 -3.448 297 HD21 LEU 57 1HD2 LEU 57 -16.193 -14.732 -3.364 298 HD22 LEU 57 2HD2 LEU 57 -17.152 -16.213 -3.349 299 HD23 LEU 57 3HD2 LEU 57 -16.086 -15.864 -4.712 300 H GLN 58 H GLN 58 -15.562 -13.795 -0.692 301 HA GLN 58 HA GLN 58 -18.490 -13.513 -0.848 302 HB2 GLN 58 2HB GLN 58 -17.399 -12.690 1.303 303 HB3 GLN 58 3HB GLN 58 -16.645 -11.438 0.325 304 HG2 GLN 58 2HG GLN 58 -18.513 -10.380 1.168 305 HG3 GLN 58 3HG GLN 58 -19.044 -10.893 -0.434 306 HE21 GLN 58 1HE2 GLN 58 -21.065 -11.533 -0.378 307 HE22 GLN 58 2HE2 GLN 58 -21.806 -12.477 0.865 308 H VAL 59 H VAL 59 -19.307 -11.955 -2.261 309 HA VAL 59 HA VAL 59 -17.451 -11.192 -4.391 310 HB VAL 59 HB VAL 59 -19.405 -10.797 -5.768 311 HG11 VAL 59 1HG1 VAL 59 -20.292 -13.057 -5.876 312 HG12 VAL 59 2HG1 VAL 59 -18.553 -13.093 -5.580 313 HG13 VAL 59 3HG1 VAL 59 -19.680 -13.394 -4.257 314 HG21 VAL 59 1HG2 VAL 59 -20.877 -11.167 -3.186 315 HG22 VAL 59 2HG2 VAL 59 -21.030 -9.879 -4.381 316 HG23 VAL 59 3HG2 VAL 59 -21.670 -11.485 -4.729 317 H GLY 60 H GLY 60 -17.056 -9.109 -4.984 318 HA2 GLY 60 2HA GLY 60 -17.347 -6.786 -5.034 319 HA3 GLY 60 3HA GLY 60 -18.608 -6.941 -3.819 320 H GLN 61 H GLN 61 -15.245 -8.077 -3.774 321 HA GLN 61 HA GLN 61 -14.721 -6.227 -1.550 322 HB2 GLN 61 2HB GLN 61 -15.198 -8.748 -0.968 323 HB3 GLN 61 3HB GLN 61 -13.540 -8.975 -1.510 324 HG2 GLN 61 2HG GLN 61 -13.062 -6.993 0.136 325 HG3 GLN 61 3HG GLN 61 -14.578 -7.519 0.866 326 HE21 GLN 61 1HE2 GLN 61 -11.407 -8.674 -0.168 327 HE22 GLN 61 2HE2 GLN 61 -11.267 -9.910 1.031 328 H VAL 62 H VAL 62 -12.759 -5.257 -1.563 329 HA VAL 62 HA VAL 62 -11.115 -5.638 -3.926 330 HB VAL 62 HB VAL 62 -10.709 -3.653 -1.688 331 HG11 VAL 62 1HG1 VAL 62 -9.651 -3.857 -4.499 332 HG12 VAL 62 2HG1 VAL 62 -9.541 -2.390 -3.525 333 HG13 VAL 62 3HG1 VAL 62 -8.736 -3.866 -2.992 334 HG21 VAL 62 1HG2 VAL 62 -12.263 -3.344 -4.256 335 HG22 VAL 62 2HG2 VAL 62 -12.930 -3.352 -2.623 336 HG23 VAL 62 3HG2 VAL 62 -11.872 -2.038 -3.136 337 H ILE 63 H ILE 63 -8.887 -6.077 -3.887 338 HA ILE 63 HA ILE 63 -7.754 -7.020 -1.357 339 HB ILE 63 HB ILE 63 -6.890 -9.060 -2.400 340 HG12 ILE 63 2HG1 ILE 63 -8.311 -9.612 -4.617 341 HG13 ILE 63 3HG1 ILE 63 -8.177 -7.866 -4.794 342 HG21 ILE 63 1HG2 ILE 63 -9.877 -8.909 -2.753 343 HG22 ILE 63 2HG2 ILE 63 -8.911 -10.328 -2.350 344 HG23 ILE 63 3HG2 ILE 63 -9.076 -9.014 -1.185 345 HD11 ILE 63 1HD1 ILE 63 -5.744 -9.494 -4.225 346 HD12 ILE 63 2HD1 ILE 63 -6.398 -9.410 -5.861 347 HD13 ILE 63 3HD1 ILE 63 -5.890 -7.935 -5.038 348 H ASN 64 H ASN 64 -5.367 -7.610 -1.691 349 HA ASN 64 HA ASN 64 -4.156 -5.463 -3.275 350 HB2 ASN 64 2HB ASN 64 -3.373 -6.946 -0.811 351 HB3 ASN 64 3HB ASN 64 -2.085 -6.332 -1.843 352 HD21 ASN 64 1HD2 ASN 64 -4.263 -5.611 0.601 353 HD22 ASN 64 2HD2 ASN 64 -4.060 -3.895 0.629 354 H VAL 65 H VAL 65 -2.637 -5.826 -4.835 355 HA VAL 65 HA VAL 65 -1.991 -8.635 -5.449 356 HB VAL 65 HB VAL 65 -1.975 -7.869 -7.895 357 HG11 VAL 65 1HG1 VAL 65 -3.947 -8.981 -6.275 358 HG12 VAL 65 2HG1 VAL 65 -4.783 -7.759 -7.235 359 HG13 VAL 65 3HG1 VAL 65 -3.865 -9.034 -8.036 360 HG21 VAL 65 1HG2 VAL 65 -3.326 -5.992 -8.495 361 HG22 VAL 65 2HG2 VAL 65 -3.806 -5.731 -6.818 362 HG23 VAL 65 3HG2 VAL 65 -2.138 -5.441 -7.313 363 HA PRO 66 HA PRO 66 2.224 -7.432 -5.695 364 HB2 PRO 66 2HB PRO 66 3.142 -9.075 -7.652 365 HB3 PRO 66 3HB PRO 66 2.718 -9.650 -6.035 366 HG2 PRO 66 2HG PRO 66 1.118 -9.755 -8.562 367 HG3 PRO 66 3HG PRO 66 1.334 -11.004 -7.322 368 HD2 PRO 66 2HD PRO 66 -0.879 -9.450 -7.454 369 HD3 PRO 66 3HD PRO 66 -0.230 -10.059 -5.918 370 H CYS 67 H CYS 67 1.779 -5.277 -6.502 371 HA CYS 67 HA CYS 67 1.380 -4.550 -9.141 372 HB2 CYS 67 2HB CYS 67 1.551 -3.142 -6.904 373 HB3 CYS 67 3HB CYS 67 3.202 -2.884 -7.459 Start of MODEL 4 1 H1 MET 19 H MET 19 5.147 -0.528 -1.581 2 HA MET 19 HA MET 19 2.411 0.563 -1.501 3 HB2 MET 19 2HB MET 19 2.974 1.691 -3.650 4 HB3 MET 19 3HB MET 19 3.930 2.256 -2.287 5 HG2 MET 19 2HG MET 19 5.864 1.309 -3.069 6 HG3 MET 19 3HG MET 19 5.012 0.082 -4.003 7 HE1 MET 19 1HE MET 19 7.193 2.249 -6.467 8 HE2 MET 19 2HE MET 19 7.360 1.176 -5.078 9 HE3 MET 19 3HE MET 19 6.483 0.635 -6.510 10 H GLY 20 H GLY 20 1.145 0.148 -3.525 11 HA2 GLY 20 2HA GLY 20 1.803 -1.862 -5.360 12 HA3 GLY 20 3HA GLY 20 0.977 -2.624 -4.008 13 H CYS 21 H CYS 21 -0.541 -3.167 -5.808 14 HA CYS 21 HA CYS 21 -2.451 -0.963 -6.238 15 HB2 CYS 21 2HB CYS 21 -1.533 -3.172 -8.036 16 HB3 CYS 21 3HB CYS 21 -3.167 -2.544 -8.218 17 H THR 22 H THR 22 -4.703 -1.526 -6.269 18 HA THR 22 HA THR 22 -5.294 -3.929 -4.667 19 HB THR 22 HB THR 22 -7.229 -2.752 -3.753 20 HG1 THR 22 HG1 THR 22 -7.907 -1.225 -5.093 21 HG21 THR 22 1HG2 THR 22 -4.543 -2.193 -3.190 22 HG22 THR 22 2HG2 THR 22 -5.930 -1.942 -2.130 23 HG23 THR 22 3HG2 THR 22 -5.365 -0.633 -3.168 24 H TYR 23 H TYR 23 -6.911 -5.280 -5.306 25 HA TYR 23 HA TYR 23 -8.221 -4.637 -7.867 26 HB2 TYR 23 2HB TYR 23 -6.712 -6.472 -8.193 27 HB3 TYR 23 3HB TYR 23 -7.309 -7.294 -6.755 28 HD1 TYR 23 HD1 TYR 23 -9.426 -8.489 -6.792 29 HD2 TYR 23 HD2 TYR 23 -7.974 -6.512 -10.268 30 HE1 TYR 23 HE1 TYR 23 -11.057 -9.717 -8.164 31 HE2 TYR 23 HE2 TYR 23 -9.601 -7.733 -11.650 32 HH TYR 23 HH TYR 23 -12.111 -8.934 -10.908 33 H THR 24 H THR 24 -10.395 -5.030 -8.102 34 HA THR 24 HA THR 24 -11.857 -5.529 -5.602 35 HB THR 24 HB THR 24 -13.188 -4.463 -8.061 36 HG1 THR 24 HG1 THR 24 -11.098 -3.293 -7.323 37 HG21 THR 24 1HG2 THR 24 -13.660 -4.520 -5.136 38 HG22 THR 24 2HG2 THR 24 -14.803 -4.661 -6.472 39 HG23 THR 24 3HG2 THR 24 -14.188 -3.077 -6.000 40 H ILE 25 H ILE 25 -12.639 -7.510 -5.362 41 HA ILE 25 HA ILE 25 -12.952 -9.299 -7.590 42 HB ILE 25 HB ILE 25 -13.850 -9.759 -4.748 43 HG12 ILE 25 2HG1 ILE 25 -11.154 -10.323 -6.002 44 HG13 ILE 25 3HG1 ILE 25 -11.484 -9.092 -4.788 45 HG21 ILE 25 1HG2 ILE 25 -12.892 -11.833 -6.682 46 HG22 ILE 25 2HG2 ILE 25 -13.912 -12.024 -5.258 47 HG23 ILE 25 3HG2 ILE 25 -14.563 -11.272 -6.714 48 HD11 ILE 25 1HD1 ILE 25 -12.064 -10.813 -3.179 49 HD12 ILE 25 2HD1 ILE 25 -11.788 -12.059 -4.396 50 HD13 ILE 25 3HD1 ILE 25 -10.444 -11.072 -3.823 51 H GLN 26 H GLN 26 -14.589 -8.682 -8.923 52 HA GLN 26 HA GLN 26 -17.211 -8.092 -7.781 53 HB2 GLN 26 2HB GLN 26 -15.983 -7.744 -10.496 54 HB3 GLN 26 3HB GLN 26 -17.731 -7.713 -10.305 55 HG2 GLN 26 2HG GLN 26 -15.982 -5.965 -8.625 56 HG3 GLN 26 3HG GLN 26 -16.423 -5.497 -10.267 57 HE21 GLN 26 1HE2 GLN 26 -18.040 -4.128 -10.288 58 HE22 GLN 26 2HE2 GLN 26 -19.404 -4.135 -9.227 59 HA PRO 27 HA PRO 27 -19.299 -11.857 -8.553 60 HB2 PRO 27 2HB PRO 27 -21.079 -10.415 -10.456 61 HB3 PRO 27 3HB PRO 27 -21.496 -11.393 -9.044 62 HG2 PRO 27 2HG PRO 27 -21.636 -8.731 -8.954 63 HG3 PRO 27 3HG PRO 27 -21.074 -9.667 -7.557 64 HD2 PRO 27 2HD PRO 27 -19.534 -8.051 -9.517 65 HD3 PRO 27 3HD PRO 27 -19.246 -8.284 -7.781 66 H GLY 28 H GLY 28 -18.360 -13.402 -9.735 67 HA2 GLY 28 2HA GLY 28 -18.454 -14.591 -11.864 68 HA3 GLY 28 3HA GLY 28 -18.271 -13.037 -12.664 69 H ASP 29 H ASP 29 -16.232 -12.378 -10.464 70 HA ASP 29 HA ASP 29 -13.946 -13.313 -11.960 71 HB2 ASP 29 2HB ASP 29 -14.000 -11.642 -9.440 72 HB3 ASP 29 3HB ASP 29 -12.647 -11.832 -10.552 73 H THR 30 H THR 30 -12.262 -14.585 -11.179 74 HA THR 30 HA THR 30 -12.738 -15.984 -8.638 75 HB THR 30 HB THR 30 -11.694 -18.022 -9.975 76 HG1 THR 30 HG1 THR 30 -13.257 -16.809 -12.008 77 HG21 THR 30 1HG2 THR 30 -14.439 -18.028 -10.746 78 HG22 THR 30 2HG2 THR 30 -14.299 -17.243 -9.172 79 HG23 THR 30 3HG2 THR 30 -13.669 -18.874 -9.404 80 H PHE 31 H PHE 31 -10.899 -16.694 -7.550 81 HA PHE 31 HA PHE 31 -8.624 -15.136 -7.692 82 HB2 PHE 31 2HB PHE 31 -9.255 -17.770 -6.438 83 HB3 PHE 31 3HB PHE 31 -7.573 -17.251 -6.485 84 HD1 PHE 31 HD1 PHE 31 -7.003 -16.637 -4.337 85 HD2 PHE 31 HD2 PHE 31 -10.704 -15.306 -5.964 86 HE1 PHE 31 HE1 PHE 31 -7.377 -15.247 -2.342 87 HE2 PHE 31 HE2 PHE 31 -11.083 -13.913 -3.972 88 HZ PHE 31 HZ PHE 31 -9.418 -13.882 -2.158 89 H TRP 32 H TRP 32 -8.940 -18.506 -8.817 90 HA TRP 32 HA TRP 32 -6.438 -18.802 -9.946 91 HB2 TRP 32 2HB TRP 32 -8.445 -20.476 -9.693 92 HB3 TRP 32 3HB TRP 32 -8.826 -19.963 -11.334 93 HD1 TRP 32 HD1 TRP 32 -5.395 -20.846 -9.733 94 HE1 TRP 32 HE1 TRP 32 -4.268 -22.620 -11.218 95 HE3 TRP 32 HE3 TRP 32 -9.104 -21.482 -13.192 96 HZ2 TRP 32 HZ2 TRP 32 -4.872 -24.094 -13.548 97 HZ3 TRP 32 HZ3 TRP 32 -8.751 -23.093 -15.018 98 HH2 TRP 32 HH2 TRP 32 -6.677 -24.371 -15.191 99 H ALA 33 H ALA 33 -9.414 -17.783 -11.630 100 HA ALA 33 HA ALA 33 -8.348 -17.298 -14.129 101 HB1 ALA 33 1HB ALA 33 -10.227 -15.821 -14.517 102 HB2 ALA 33 2HB ALA 33 -10.751 -17.234 -13.601 103 HB3 ALA 33 3HB ALA 33 -10.515 -15.690 -12.782 104 H ILE 34 H ILE 34 -8.795 -14.886 -11.535 105 HA ILE 34 HA ILE 34 -7.545 -12.753 -12.808 106 HB ILE 34 HB ILE 34 -7.604 -13.341 -9.845 107 HG12 ILE 34 2HG1 ILE 34 -9.441 -11.498 -11.360 108 HG13 ILE 34 3HG1 ILE 34 -9.811 -13.208 -11.172 109 HG21 ILE 34 1HG2 ILE 34 -6.070 -11.648 -9.951 110 HG22 ILE 34 2HG2 ILE 34 -6.742 -10.984 -11.439 111 HG23 ILE 34 3HG2 ILE 34 -7.560 -10.707 -9.902 112 HD11 ILE 34 1HD1 ILE 34 -10.882 -11.655 -9.515 113 HD12 ILE 34 2HD1 ILE 34 -9.980 -13.005 -8.827 114 HD13 ILE 34 3HD1 ILE 34 -9.272 -11.390 -8.845 115 H ALA 35 H ALA 35 -6.182 -15.455 -11.048 116 HA ALA 35 HA ALA 35 -3.572 -14.429 -10.710 117 HB1 ALA 35 1HB ALA 35 -3.791 -17.332 -11.082 118 HB2 ALA 35 2HB ALA 35 -3.126 -16.403 -9.737 119 HB3 ALA 35 3HB ALA 35 -4.867 -16.657 -9.858 120 H GLN 36 H GLN 36 -4.834 -16.742 -13.119 121 HA GLN 36 HA GLN 36 -2.485 -16.843 -14.661 122 HB2 GLN 36 2HB GLN 36 -5.315 -17.308 -15.613 123 HB3 GLN 36 3HB GLN 36 -3.843 -17.904 -16.368 124 HG2 GLN 36 2HG GLN 36 -3.398 -19.331 -14.477 125 HG3 GLN 36 3HG GLN 36 -4.787 -18.670 -13.616 126 HE21 GLN 36 1HE2 GLN 36 -6.863 -19.254 -14.253 127 HE22 GLN 36 2HE2 GLN 36 -7.162 -20.620 -15.267 128 H ARG 37 H ARG 37 -5.088 -14.560 -14.541 129 HA ARG 37 HA ARG 37 -4.529 -13.364 -17.095 130 HB2 ARG 37 2HB ARG 37 -6.379 -12.823 -14.829 131 HB3 ARG 37 3HB ARG 37 -5.987 -11.478 -15.892 132 HG2 ARG 37 2HG ARG 37 -6.604 -13.176 -17.780 133 HG3 ARG 37 3HG ARG 37 -7.478 -13.987 -16.479 134 HD2 ARG 37 2HD ARG 37 -8.525 -11.718 -15.989 135 HD3 ARG 37 3HD ARG 37 -7.872 -11.205 -17.544 136 HE ARG 37 HE ARG 37 -9.314 -13.582 -17.909 137 HH11 ARG 37 1HH1 ARG 37 -9.840 -10.232 -17.118 138 HH12 ARG 37 2HH1 ARG 37 -11.435 -10.188 -17.794 139 HH21 ARG 37 1HH2 ARG 37 -11.412 -13.536 -18.802 140 HH22 ARG 37 2HH2 ARG 37 -12.328 -12.068 -18.751 141 H ARG 38 H ARG 38 -4.448 -11.899 -13.846 142 HA ARG 38 HA ARG 38 -2.868 -9.725 -14.487 143 HB2 ARG 38 2HB ARG 38 -3.005 -11.229 -11.868 144 HB3 ARG 38 3HB ARG 38 -2.311 -9.626 -12.070 145 HG2 ARG 38 2HG ARG 38 -5.167 -10.277 -12.742 146 HG3 ARG 38 3HG ARG 38 -4.646 -9.697 -11.159 147 HD2 ARG 38 2HD ARG 38 -4.009 -8.222 -13.697 148 HD3 ARG 38 3HD ARG 38 -5.513 -7.963 -12.816 149 HE ARG 38 HE ARG 38 -3.521 -7.671 -10.951 150 HH11 ARG 38 1HH1 ARG 38 -4.354 -6.175 -13.982 151 HH12 ARG 38 2HH1 ARG 38 -3.677 -4.637 -13.559 152 HH21 ARG 38 1HH2 ARG 38 -2.626 -5.652 -10.382 153 HH22 ARG 38 2HH2 ARG 38 -2.693 -4.341 -11.511 154 H GLY 39 H GLY 39 -1.938 -13.028 -13.865 155 HA2 GLY 39 2HA GLY 39 0.108 -13.892 -14.765 156 HA3 GLY 39 3HA GLY 39 0.831 -12.305 -14.551 157 H THR 40 H THR 40 -1.105 -13.594 -11.998 158 HA THR 40 HA THR 40 1.347 -14.196 -10.474 159 HB THR 40 HB THR 40 0.175 -12.129 -9.710 160 HG1 THR 40 HG1 THR 40 0.970 -12.698 -7.842 161 HG21 THR 40 1HG2 THR 40 -2.122 -12.800 -10.195 162 HG22 THR 40 2HG2 THR 40 -1.946 -12.371 -8.493 163 HG23 THR 40 3HG2 THR 40 -2.022 -14.066 -8.973 164 H THR 41 H THR 41 0.760 -15.551 -8.442 165 HA THR 41 HA THR 41 -0.847 -17.826 -9.378 166 HB THR 41 HB THR 41 0.427 -18.891 -7.291 167 HG1 THR 41 HG1 THR 41 2.414 -17.119 -8.237 168 HG21 THR 41 1HG2 THR 41 1.342 -20.114 -8.917 169 HG22 THR 41 2HG2 THR 41 2.340 -18.759 -9.444 170 HG23 THR 41 3HG2 THR 41 0.705 -18.949 -10.076 171 H VAL 42 H VAL 42 -2.380 -18.799 -8.053 172 HA VAL 42 HA VAL 42 -3.989 -17.189 -6.496 173 HB VAL 42 HB VAL 42 -4.795 -19.297 -7.376 174 HG11 VAL 42 1HG1 VAL 42 -4.105 -21.436 -6.519 175 HG12 VAL 42 2HG1 VAL 42 -2.675 -20.553 -7.060 176 HG13 VAL 42 3HG1 VAL 42 -3.044 -20.666 -5.339 177 HG21 VAL 42 1HG2 VAL 42 -5.250 -18.346 -4.767 178 HG22 VAL 42 2HG2 VAL 42 -6.332 -19.311 -5.772 179 HG23 VAL 42 3HG2 VAL 42 -5.215 -20.106 -4.663 180 H ASP 43 H ASP 43 -1.284 -19.220 -5.512 181 HA ASP 43 HA ASP 43 -1.621 -19.155 -2.752 182 HB2 ASP 43 2HB ASP 43 0.058 -20.537 -3.976 183 HB3 ASP 43 3HB ASP 43 1.017 -19.081 -4.231 184 H VAL 44 H VAL 44 0.114 -16.876 -4.854 185 HA VAL 44 HA VAL 44 0.920 -15.151 -2.744 186 HB VAL 44 HB VAL 44 0.603 -14.434 -5.660 187 HG11 VAL 44 1HG1 VAL 44 2.785 -13.105 -4.649 188 HG12 VAL 44 2HG1 VAL 44 1.177 -12.416 -4.888 189 HG13 VAL 44 3HG1 VAL 44 1.639 -13.056 -3.310 190 HG21 VAL 44 1HG2 VAL 44 2.921 -15.096 -5.949 191 HG22 VAL 44 2HG2 VAL 44 3.011 -15.594 -4.259 192 HG23 VAL 44 3HG2 VAL 44 1.964 -16.464 -5.381 193 H ILE 45 H ILE 45 -1.748 -15.049 -5.083 194 HA ILE 45 HA ILE 45 -2.827 -12.582 -4.459 195 HB ILE 45 HB ILE 45 -4.349 -15.092 -5.173 196 HG12 ILE 45 2HG1 ILE 45 -3.447 -12.875 -7.013 197 HG13 ILE 45 3HG1 ILE 45 -2.494 -14.330 -6.741 198 HG21 ILE 45 1HG2 ILE 45 -5.852 -13.176 -6.205 199 HG22 ILE 45 2HG2 ILE 45 -6.046 -13.708 -4.535 200 HG23 ILE 45 3HG2 ILE 45 -5.135 -12.241 -4.893 201 HD11 ILE 45 1HD1 ILE 45 -4.200 -14.094 -8.752 202 HD12 ILE 45 2HD1 ILE 45 -3.893 -15.634 -7.950 203 HD13 ILE 45 3HD1 ILE 45 -5.322 -14.690 -7.529 204 H GLN 46 H GLN 46 -3.398 -15.706 -2.885 205 HA GLN 46 HA GLN 46 -5.274 -14.633 -1.003 206 HB2 GLN 46 2HB GLN 46 -5.365 -16.984 -1.688 207 HB3 GLN 46 3HB GLN 46 -3.771 -17.256 -0.996 208 HG2 GLN 46 2HG GLN 46 -4.728 -16.589 1.223 209 HG3 GLN 46 3HG GLN 46 -6.317 -16.606 0.460 210 HE21 GLN 46 1HE2 GLN 46 -6.568 -18.728 -0.937 211 HE22 GLN 46 2HE2 GLN 46 -6.223 -20.180 -0.068 212 H SER 47 H SER 47 -1.850 -15.518 -0.926 213 HA SER 47 HA SER 47 -1.339 -15.218 1.778 214 HB2 SER 47 2HB SER 47 0.958 -15.008 1.209 215 HB3 SER 47 3HB SER 47 0.251 -16.016 -0.053 216 HG SER 47 HG SER 47 1.569 -13.752 -0.347 217 H LEU 48 H LEU 48 -1.531 -12.759 -0.745 218 HA LEU 48 HA LEU 48 -0.640 -10.591 0.838 219 HB2 LEU 48 2HB LEU 48 -2.047 -10.915 -1.751 220 HB3 LEU 48 3HB LEU 48 -2.155 -9.342 -0.963 221 HG LEU 48 HG LEU 48 0.430 -10.721 -1.683 222 HD11 LEU 48 1HD1 LEU 48 -1.193 -9.890 -3.559 223 HD12 LEU 48 2HD1 LEU 48 0.531 -9.526 -3.639 224 HD13 LEU 48 3HD1 LEU 48 -0.604 -8.299 -3.078 225 HD21 LEU 48 1HD2 LEU 48 0.887 -8.027 -1.441 226 HD22 LEU 48 2HD2 LEU 48 1.250 -9.245 -0.218 227 HD23 LEU 48 3HD2 LEU 48 -0.264 -8.343 -0.142 228 H ASN 49 H ASN 49 -3.684 -12.218 0.546 229 HA ASN 49 HA ASN 49 -4.884 -10.240 2.371 230 HB2 ASN 49 2HB ASN 49 -6.333 -11.920 0.311 231 HB3 ASN 49 3HB ASN 49 -7.066 -10.739 1.392 232 HD21 ASN 49 1HD2 ASN 49 -4.997 -11.195 -1.376 233 HD22 ASN 49 2HD2 ASN 49 -5.098 -9.574 -1.966 234 HA PRO 50 HA PRO 50 -4.651 -14.368 4.487 235 HB2 PRO 50 2HB PRO 50 -3.747 -13.370 6.844 236 HB3 PRO 50 3HB PRO 50 -2.672 -13.814 5.513 237 HG2 PRO 50 2HG PRO 50 -3.688 -11.112 6.306 238 HG3 PRO 50 3HG PRO 50 -2.055 -11.591 5.808 239 HD2 PRO 50 2HD PRO 50 -3.794 -10.377 4.125 240 HD3 PRO 50 3HD PRO 50 -2.593 -11.559 3.567 241 H GLY 51 H GLY 51 -6.055 -11.264 5.245 242 HA2 GLY 51 2HA GLY 51 -7.607 -12.026 7.477 243 HA3 GLY 51 3HA GLY 51 -7.935 -10.663 6.417 244 H VAL 52 H VAL 52 -8.233 -12.181 4.009 245 HA VAL 52 HA VAL 52 -10.888 -13.310 4.537 246 HB VAL 52 HB VAL 52 -11.299 -13.041 2.133 247 HG11 VAL 52 1HG1 VAL 52 -12.048 -11.178 3.252 248 HG12 VAL 52 2HG1 VAL 52 -10.432 -10.719 3.793 249 HG13 VAL 52 3HG1 VAL 52 -10.911 -10.451 2.116 250 HG21 VAL 52 1HG2 VAL 52 -9.637 -12.862 0.673 251 HG22 VAL 52 2HG2 VAL 52 -9.111 -11.355 1.424 252 HG23 VAL 52 3HG2 VAL 52 -8.478 -12.897 2.002 253 H VAL 53 H VAL 53 -11.543 -15.287 3.603 254 HA VAL 53 HA VAL 53 -9.311 -17.073 2.878 255 HB VAL 53 HB VAL 53 -10.870 -18.916 3.735 256 HG11 VAL 53 1HG1 VAL 53 -10.185 -17.422 6.134 257 HG12 VAL 53 2HG1 VAL 53 -9.552 -18.957 5.537 258 HG13 VAL 53 3HG1 VAL 53 -8.884 -17.436 4.944 259 HG21 VAL 53 1HG2 VAL 53 -12.102 -16.646 5.280 260 HG22 VAL 53 2HG2 VAL 53 -12.850 -17.352 3.847 261 HG23 VAL 53 3HG2 VAL 53 -12.577 -18.345 5.279 262 HA PRO 54 HA PRO 54 -11.295 -18.021 -0.922 263 HB2 PRO 54 2HB PRO 54 -10.644 -20.638 -1.233 264 HB3 PRO 54 3HB PRO 54 -9.471 -19.328 -1.416 265 HG2 PRO 54 2HG PRO 54 -9.956 -21.122 0.930 266 HG3 PRO 54 3HG PRO 54 -8.417 -20.589 0.229 267 HD2 PRO 54 2HD PRO 54 -9.472 -19.463 2.454 268 HD3 PRO 54 3HD PRO 54 -8.499 -18.543 1.288 269 H THR 55 H THR 55 -11.976 -20.079 1.840 270 HA THR 55 HA THR 55 -14.178 -21.460 0.685 271 HB THR 55 HB THR 55 -14.619 -21.448 3.435 272 HG1 THR 55 HG1 THR 55 -12.771 -20.945 4.317 273 HG21 THR 55 1HG2 THR 55 -13.865 -23.713 3.352 274 HG22 THR 55 2HG2 THR 55 -12.865 -23.391 1.935 275 HG23 THR 55 3HG2 THR 55 -14.623 -23.359 1.801 276 H ARG 56 H ARG 56 -13.908 -18.617 2.789 277 HA ARG 56 HA ARG 56 -16.790 -18.162 2.531 278 HB2 ARG 56 2HB ARG 56 -14.838 -16.611 4.231 279 HB3 ARG 56 3HB ARG 56 -16.592 -16.632 4.358 280 HG2 ARG 56 2HG ARG 56 -16.100 -19.235 4.737 281 HG3 ARG 56 3HG ARG 56 -14.593 -18.557 5.357 282 HD2 ARG 56 2HD ARG 56 -16.254 -16.919 6.595 283 HD3 ARG 56 3HD ARG 56 -17.376 -18.259 6.367 284 HE ARG 56 HE ARG 56 -15.229 -18.131 8.228 285 HH11 ARG 56 1HH1 ARG 56 -17.014 -20.312 6.184 286 HH12 ARG 56 2HH1 ARG 56 -16.693 -21.703 7.167 287 HH21 ARG 56 1HH2 ARG 56 -14.800 -19.955 9.530 288 HH22 ARG 56 2HH2 ARG 56 -15.435 -21.498 9.070 289 H LEU 57 H LEU 57 -15.443 -17.784 0.180 290 HA LEU 57 HA LEU 57 -14.909 -14.930 -0.086 291 HB2 LEU 57 2HB LEU 57 -13.395 -16.510 -1.164 292 HB3 LEU 57 3HB LEU 57 -14.737 -17.174 -2.093 293 HG LEU 57 HG LEU 57 -14.982 -14.942 -3.191 294 HD11 LEU 57 1HD1 LEU 57 -13.072 -13.397 -3.046 295 HD12 LEU 57 2HD1 LEU 57 -12.391 -14.384 -1.754 296 HD13 LEU 57 3HD1 LEU 57 -13.929 -13.556 -1.513 297 HD21 LEU 57 1HD2 LEU 57 -13.251 -15.315 -4.757 298 HD22 LEU 57 2HD2 LEU 57 -13.687 -16.902 -4.122 299 HD23 LEU 57 3HD2 LEU 57 -12.226 -16.094 -3.552 300 H GLN 58 H GLN 58 -16.367 -13.517 -0.787 301 HA GLN 58 HA GLN 58 -18.739 -14.541 -2.203 302 HB2 GLN 58 2HB GLN 58 -19.979 -12.623 -1.148 303 HB3 GLN 58 3HB GLN 58 -19.468 -13.883 -0.032 304 HG2 GLN 58 2HG GLN 58 -17.675 -12.542 0.781 305 HG3 GLN 58 3HG GLN 58 -17.938 -11.334 -0.476 306 HE21 GLN 58 1HE2 GLN 58 -18.061 -11.413 2.582 307 HE22 GLN 58 2HE2 GLN 58 -19.546 -10.608 2.944 308 H VAL 59 H VAL 59 -19.856 -12.845 -3.520 309 HA VAL 59 HA VAL 59 -17.927 -11.559 -5.219 310 HB VAL 59 HB VAL 59 -19.796 -10.955 -6.628 311 HG11 VAL 59 1HG1 VAL 59 -18.997 -13.230 -6.821 312 HG12 VAL 59 2HG1 VAL 59 -20.071 -13.747 -5.519 313 HG13 VAL 59 3HG1 VAL 59 -20.745 -13.191 -7.051 314 HG21 VAL 59 1HG2 VAL 59 -21.515 -11.890 -4.334 315 HG22 VAL 59 2HG2 VAL 59 -21.400 -10.252 -4.979 316 HG23 VAL 59 3HG2 VAL 59 -22.117 -11.535 -5.954 317 H GLY 60 H GLY 60 -17.575 -9.390 -5.519 318 HA2 GLY 60 2HA GLY 60 -17.833 -7.097 -5.192 319 HA3 GLY 60 3HA GLY 60 -19.183 -7.428 -4.117 320 H GLN 61 H GLN 61 -15.771 -8.443 -4.057 321 HA GLN 61 HA GLN 61 -15.490 -7.065 -1.476 322 HB2 GLN 61 2HB GLN 61 -15.868 -9.474 -1.084 323 HB3 GLN 61 3HB GLN 61 -14.478 -9.846 -2.095 324 HG2 GLN 61 2HG GLN 61 -12.992 -8.779 -0.540 325 HG3 GLN 61 3HG GLN 61 -14.352 -8.220 0.433 326 HE21 GLN 61 1HE2 GLN 61 -13.094 -11.251 -0.922 327 HE22 GLN 61 2HE2 GLN 61 -13.369 -12.198 0.497 328 H VAL 62 H VAL 62 -13.777 -5.772 -1.394 329 HA VAL 62 HA VAL 62 -11.894 -5.746 -3.586 330 HB VAL 62 HB VAL 62 -12.796 -3.644 -2.621 331 HG11 VAL 62 1HG1 VAL 62 -12.814 -4.390 -0.266 332 HG12 VAL 62 2HG1 VAL 62 -11.052 -4.299 -0.249 333 HG13 VAL 62 3HG1 VAL 62 -12.009 -2.837 -0.485 334 HG21 VAL 62 1HG2 VAL 62 -9.810 -3.824 -2.275 335 HG22 VAL 62 2HG2 VAL 62 -10.608 -3.797 -3.847 336 HG23 VAL 62 3HG2 VAL 62 -10.759 -2.419 -2.758 337 H ILE 63 H ILE 63 -9.648 -5.982 -3.413 338 HA ILE 63 HA ILE 63 -8.513 -6.910 -0.905 339 HB ILE 63 HB ILE 63 -7.557 -8.950 -1.919 340 HG12 ILE 63 2HG1 ILE 63 -9.567 -8.696 -4.136 341 HG13 ILE 63 3HG1 ILE 63 -7.963 -7.992 -4.305 342 HG21 ILE 63 1HG2 ILE 63 -9.572 -10.302 -1.788 343 HG22 ILE 63 2HG2 ILE 63 -9.584 -9.054 -0.543 344 HG23 ILE 63 3HG2 ILE 63 -10.570 -8.862 -1.992 345 HD11 ILE 63 1HD1 ILE 63 -7.993 -10.780 -3.405 346 HD12 ILE 63 2HD1 ILE 63 -8.621 -10.506 -5.030 347 HD13 ILE 63 3HD1 ILE 63 -6.989 -9.981 -4.615 348 H ASN 64 H ASN 64 -6.096 -7.599 -1.407 349 HA ASN 64 HA ASN 64 -4.974 -5.408 -3.010 350 HB2 ASN 64 2HB ASN 64 -4.097 -6.829 -0.541 351 HB3 ASN 64 3HB ASN 64 -2.848 -6.216 -1.621 352 HD21 ASN 64 1HD2 ASN 64 -5.308 -5.427 0.645 353 HD22 ASN 64 2HD2 ASN 64 -5.000 -3.729 0.719 354 H VAL 65 H VAL 65 -3.436 -5.771 -4.569 355 HA VAL 65 HA VAL 65 -2.566 -8.519 -5.069 356 HB VAL 65 HB VAL 65 -3.030 -8.108 -7.556 357 HG11 VAL 65 1HG1 VAL 65 -4.955 -9.335 -7.406 358 HG12 VAL 65 2HG1 VAL 65 -4.329 -9.546 -5.769 359 HG13 VAL 65 3HG1 VAL 65 -5.602 -8.365 -6.082 360 HG21 VAL 65 1HG2 VAL 65 -5.199 -6.290 -6.582 361 HG22 VAL 65 2HG2 VAL 65 -3.616 -5.643 -7.013 362 HG23 VAL 65 3HG2 VAL 65 -4.573 -6.506 -8.216 363 HA PRO 66 HA PRO 66 1.279 -6.682 -6.121 364 HB2 PRO 66 2HB PRO 66 2.205 -8.406 -8.003 365 HB3 PRO 66 3HB PRO 66 2.122 -8.813 -6.285 366 HG2 PRO 66 2HG PRO 66 0.235 -9.530 -8.495 367 HG3 PRO 66 3HG PRO 66 0.847 -10.542 -7.174 368 HD2 PRO 66 2HD PRO 66 -1.612 -9.409 -7.122 369 HD3 PRO 66 3HD PRO 66 -0.656 -9.683 -5.652 370 H CYS 67 H CYS 67 1.350 -4.801 -7.182 371 HA CYS 67 HA CYS 67 0.107 -4.448 -9.754 372 HB2 CYS 67 2HB CYS 67 0.429 -2.739 -7.767 373 HB3 CYS 67 3HB CYS 67 1.959 -2.418 -8.576 Start of MODEL 5 1 H1 MET 19 H MET 19 1.708 1.160 -1.159 2 HA MET 19 HA MET 19 4.126 0.383 -2.211 3 HB2 MET 19 2HB MET 19 1.948 -1.144 -0.823 4 HB3 MET 19 3HB MET 19 3.386 -1.977 -1.399 5 HG2 MET 19 2HG MET 19 4.659 -0.137 -0.087 6 HG3 MET 19 3HG MET 19 3.122 0.076 0.747 7 HE1 MET 19 1HE MET 19 2.555 -0.784 2.552 8 HE2 MET 19 2HE MET 19 2.814 -2.399 3.211 9 HE3 MET 19 3HE MET 19 4.022 -1.139 3.465 10 H GLY 20 H GLY 20 0.943 -1.003 -3.052 11 HA2 GLY 20 2HA GLY 20 2.007 -1.573 -5.734 12 HA3 GLY 20 3HA GLY 20 1.254 -2.870 -4.818 13 H CYS 21 H CYS 21 -0.567 -3.275 -5.929 14 HA CYS 21 HA CYS 21 -2.480 -1.059 -6.199 15 HB2 CYS 21 2HB CYS 21 -1.689 -3.083 -8.284 16 HB3 CYS 21 3HB CYS 21 -3.248 -2.267 -8.341 17 H THR 22 H THR 22 -4.736 -1.797 -6.406 18 HA THR 22 HA THR 22 -5.169 -4.366 -5.026 19 HB THR 22 HB THR 22 -7.284 -3.252 -4.117 20 HG1 THR 22 HG1 THR 22 -7.054 -1.383 -5.554 21 HG21 THR 22 1HG2 THR 22 -4.564 -2.303 -3.211 22 HG22 THR 22 2HG2 THR 22 -5.410 -3.755 -2.674 23 HG23 THR 22 3HG2 THR 22 -6.045 -2.162 -2.265 24 H TYR 23 H TYR 23 -6.921 -5.615 -5.660 25 HA TYR 23 HA TYR 23 -8.203 -4.782 -8.179 26 HB2 TYR 23 2HB TYR 23 -6.774 -6.659 -8.603 27 HB3 TYR 23 3HB TYR 23 -7.405 -7.529 -7.209 28 HD1 TYR 23 HD1 TYR 23 -8.019 -6.553 -10.679 29 HD2 TYR 23 HD2 TYR 23 -9.587 -8.611 -7.301 30 HE1 TYR 23 HE1 TYR 23 -9.695 -7.631 -12.121 31 HE2 TYR 23 HE2 TYR 23 -11.266 -9.696 -8.734 32 HH TYR 23 HH TYR 23 -11.899 -8.682 -11.914 33 H THR 24 H THR 24 -10.394 -5.215 -8.479 34 HA THR 24 HA THR 24 -11.888 -5.629 -5.985 35 HB THR 24 HB THR 24 -13.115 -4.628 -8.539 36 HG1 THR 24 HG1 THR 24 -12.024 -2.834 -8.353 37 HG21 THR 24 1HG2 THR 24 -14.634 -5.213 -6.738 38 HG22 THR 24 2HG2 THR 24 -14.608 -3.462 -6.949 39 HG23 THR 24 3HG2 THR 24 -13.728 -4.204 -5.612 40 H ILE 25 H ILE 25 -12.672 -7.599 -5.672 41 HA ILE 25 HA ILE 25 -13.067 -9.410 -7.904 42 HB ILE 25 HB ILE 25 -13.599 -9.942 -4.982 43 HG12 ILE 25 2HG1 ILE 25 -11.071 -10.421 -6.576 44 HG13 ILE 25 3HG1 ILE 25 -11.273 -9.210 -5.315 45 HG21 ILE 25 1HG2 ILE 25 -12.868 -11.939 -7.097 46 HG22 ILE 25 2HG2 ILE 25 -13.621 -12.214 -5.527 47 HG23 ILE 25 3HG2 ILE 25 -14.541 -11.452 -6.824 48 HD11 ILE 25 1HD1 ILE 25 -11.387 -12.195 -4.960 49 HD12 ILE 25 2HD1 ILE 25 -10.083 -11.118 -4.456 50 HD13 ILE 25 3HD1 ILE 25 -11.667 -11.006 -3.688 51 H GLN 26 H GLN 26 -14.891 -9.111 -9.028 52 HA GLN 26 HA GLN 26 -17.389 -8.649 -7.545 53 HB2 GLN 26 2HB GLN 26 -16.410 -7.792 -10.219 54 HB3 GLN 26 3HB GLN 26 -18.130 -8.117 -10.053 55 HG2 GLN 26 2HG GLN 26 -17.888 -6.569 -7.947 56 HG3 GLN 26 3HG GLN 26 -16.473 -5.983 -8.818 57 HE21 GLN 26 1HE2 GLN 26 -16.820 -4.325 -10.096 58 HE22 GLN 26 2HE2 GLN 26 -18.319 -3.908 -10.847 59 HA PRO 27 HA PRO 27 -19.363 -12.430 -8.513 60 HB2 PRO 27 2HB PRO 27 -21.301 -10.918 -10.201 61 HB3 PRO 27 3HB PRO 27 -21.605 -12.056 -8.882 62 HG2 PRO 27 2HG PRO 27 -21.860 -9.414 -8.527 63 HG3 PRO 27 3HG PRO 27 -21.232 -10.467 -7.246 64 HD2 PRO 27 2HD PRO 27 -19.811 -8.542 -8.981 65 HD3 PRO 27 3HD PRO 27 -19.451 -9.061 -7.322 66 H GLY 28 H GLY 28 -18.023 -13.587 -9.829 67 HA2 GLY 28 2HA GLY 28 -18.344 -14.654 -12.102 68 HA3 GLY 28 3HA GLY 28 -18.164 -13.020 -12.724 69 H ASP 29 H ASP 29 -16.104 -12.474 -10.601 70 HA ASP 29 HA ASP 29 -13.847 -13.483 -12.127 71 HB2 ASP 29 2HB ASP 29 -13.630 -11.698 -9.718 72 HB3 ASP 29 3HB ASP 29 -12.560 -11.805 -11.113 73 H THR 30 H THR 30 -12.518 -15.064 -11.499 74 HA THR 30 HA THR 30 -12.880 -16.162 -8.789 75 HB THR 30 HB THR 30 -11.769 -18.244 -9.928 76 HG1 THR 30 HG1 THR 30 -12.920 -16.880 -12.155 77 HG21 THR 30 1HG2 THR 30 -13.807 -19.094 -9.623 78 HG22 THR 30 2HG2 THR 30 -14.433 -18.203 -11.011 79 HG23 THR 30 3HG2 THR 30 -14.414 -17.452 -9.416 80 H PHE 31 H PHE 31 -11.047 -16.890 -7.641 81 HA PHE 31 HA PHE 31 -8.835 -15.241 -7.655 82 HB2 PHE 31 2HB PHE 31 -9.473 -17.875 -6.449 83 HB3 PHE 31 3HB PHE 31 -7.771 -17.429 -6.507 84 HD1 PHE 31 HD1 PHE 31 -10.796 -15.336 -5.950 85 HD2 PHE 31 HD2 PHE 31 -7.168 -16.881 -4.347 86 HE1 PHE 31 HE1 PHE 31 -11.096 -13.948 -3.941 87 HE2 PHE 31 HE2 PHE 31 -7.463 -15.496 -2.336 88 HZ PHE 31 HZ PHE 31 -9.429 -14.027 -2.130 89 H TRP 32 H TRP 32 -8.947 -18.599 -8.855 90 HA TRP 32 HA TRP 32 -6.395 -18.730 -9.910 91 HB2 TRP 32 2HB TRP 32 -8.114 -20.599 -9.697 92 HB3 TRP 32 3HB TRP 32 -8.792 -20.018 -11.215 93 HD1 TRP 32 HD1 TRP 32 -5.138 -20.794 -10.117 94 HE1 TRP 32 HE1 TRP 32 -4.071 -22.269 -11.937 95 HE3 TRP 32 HE3 TRP 32 -9.138 -21.208 -13.273 96 HZ2 TRP 32 HZ2 TRP 32 -4.826 -23.451 -14.387 97 HZ3 TRP 32 HZ3 TRP 32 -8.883 -22.528 -15.333 98 HH2 TRP 32 HH2 TRP 32 -6.771 -23.625 -15.877 99 H ALA 33 H ALA 33 -9.385 -17.868 -11.654 100 HA ALA 33 HA ALA 33 -8.296 -17.304 -14.126 101 HB1 ALA 33 1HB ALA 33 -10.233 -15.678 -14.356 102 HB2 ALA 33 2HB ALA 33 -10.643 -17.345 -13.948 103 HB3 ALA 33 3HB ALA 33 -10.651 -16.104 -12.696 104 H ILE 34 H ILE 34 -8.930 -14.940 -11.526 105 HA ILE 34 HA ILE 34 -7.754 -12.739 -12.763 106 HB ILE 34 HB ILE 34 -7.891 -13.330 -9.804 107 HG12 ILE 34 2HG1 ILE 34 -9.765 -11.587 -11.390 108 HG13 ILE 34 3HG1 ILE 34 -10.053 -13.313 -11.205 109 HG21 ILE 34 1HG2 ILE 34 -6.698 -11.470 -9.560 110 HG22 ILE 34 2HG2 ILE 34 -6.758 -11.133 -11.290 111 HG23 ILE 34 3HG2 ILE 34 -8.064 -10.585 -10.239 112 HD11 ILE 34 1HD1 ILE 34 -9.679 -11.480 -8.861 113 HD12 ILE 34 2HD1 ILE 34 -11.252 -11.792 -9.596 114 HD13 ILE 34 3HD1 ILE 34 -10.335 -13.117 -8.879 115 H ALA 35 H ALA 35 -6.319 -15.363 -10.940 116 HA ALA 35 HA ALA 35 -3.785 -14.216 -10.493 117 HB1 ALA 35 1HB ALA 35 -3.360 -16.145 -9.461 118 HB2 ALA 35 2HB ALA 35 -5.023 -16.593 -9.841 119 HB3 ALA 35 3HB ALA 35 -3.711 -17.090 -10.909 120 H GLN 36 H GLN 36 -4.699 -16.669 -12.925 121 HA GLN 36 HA GLN 36 -2.324 -16.556 -14.384 122 HB2 GLN 36 2HB GLN 36 -3.606 -17.605 -16.212 123 HB3 GLN 36 3HB GLN 36 -3.909 -18.374 -14.660 124 HG2 GLN 36 2HG GLN 36 -6.009 -17.133 -14.462 125 HG3 GLN 36 3HG GLN 36 -5.706 -16.386 -16.030 126 HE21 GLN 36 1HE2 GLN 36 -6.748 -19.205 -14.358 127 HE22 GLN 36 2HE2 GLN 36 -7.227 -20.117 -15.745 128 H ARG 37 H ARG 37 -5.055 -14.431 -14.349 129 HA ARG 37 HA ARG 37 -4.421 -13.166 -16.864 130 HB2 ARG 37 2HB ARG 37 -6.746 -13.369 -15.807 131 HB3 ARG 37 3HB ARG 37 -6.246 -12.068 -14.735 132 HG2 ARG 37 2HG ARG 37 -5.916 -10.592 -16.620 133 HG3 ARG 37 3HG ARG 37 -6.303 -11.899 -17.740 134 HD2 ARG 37 2HD ARG 37 -8.520 -12.010 -16.332 135 HD3 ARG 37 3HD ARG 37 -8.094 -10.346 -15.933 136 HE ARG 37 HE ARG 37 -8.018 -10.914 -18.749 137 HH11 ARG 37 1HH1 ARG 37 -10.034 -9.967 -16.073 138 HH12 ARG 37 2HH1 ARG 37 -11.209 -9.175 -17.070 139 HH21 ARG 37 1HH2 ARG 37 -9.558 -9.873 -20.072 140 HH22 ARG 37 2HH2 ARG 37 -10.937 -9.122 -19.344 141 H ARG 38 H ARG 38 -3.744 -12.662 -13.478 142 HA ARG 38 HA ARG 38 -2.496 -10.074 -14.050 143 HB2 ARG 38 2HB ARG 38 -3.140 -11.466 -11.447 144 HB3 ARG 38 3HB ARG 38 -2.275 -9.938 -11.552 145 HG2 ARG 38 2HG ARG 38 -5.072 -10.430 -12.556 146 HG3 ARG 38 3HG ARG 38 -4.648 -9.632 -11.040 147 HD2 ARG 38 2HD ARG 38 -3.174 -8.200 -12.805 148 HD3 ARG 38 3HD ARG 38 -4.563 -8.627 -13.804 149 HE ARG 38 HE ARG 38 -5.369 -7.627 -11.265 150 HH11 ARG 38 1HH1 ARG 38 -4.187 -6.657 -14.393 151 HH12 ARG 38 2HH1 ARG 38 -4.905 -5.082 -14.321 152 HH21 ARG 38 1HH2 ARG 38 -6.319 -5.556 -11.158 153 HH22 ARG 38 2HH2 ARG 38 -6.116 -4.456 -12.480 154 H GLY 39 H GLY 39 -1.417 -12.776 -14.813 155 HA2 GLY 39 2HA GLY 39 0.598 -13.882 -14.834 156 HA3 GLY 39 3HA GLY 39 1.288 -12.299 -14.508 157 H THR 40 H THR 40 -0.908 -13.818 -12.271 158 HA THR 40 HA THR 40 1.354 -14.493 -10.513 159 HB THR 40 HB THR 40 0.316 -12.329 -9.825 160 HG1 THR 40 HG1 THR 40 1.278 -13.894 -8.315 161 HG21 THR 40 1HG2 THR 40 -2.086 -14.016 -9.122 162 HG22 THR 40 2HG2 THR 40 -2.005 -12.948 -10.523 163 HG23 THR 40 3HG2 THR 40 -1.897 -12.278 -8.895 164 H THR 41 H THR 41 0.477 -15.787 -8.541 165 HA THR 41 HA THR 41 -1.381 -17.824 -9.582 166 HB THR 41 HB THR 41 -0.160 -19.205 -7.662 167 HG1 THR 41 HG1 THR 41 1.664 -18.341 -7.035 168 HG21 THR 41 1HG2 THR 41 0.988 -20.323 -9.330 169 HG22 THR 41 2HG2 THR 41 1.398 -18.837 -10.188 170 HG23 THR 41 3HG2 THR 41 -0.245 -19.472 -10.260 171 H VAL 42 H VAL 42 -2.810 -18.847 -8.081 172 HA VAL 42 HA VAL 42 -4.236 -17.149 -6.436 173 HB VAL 42 HB VAL 42 -5.191 -19.232 -7.222 174 HG11 VAL 42 1HG1 VAL 42 -4.500 -21.378 -6.513 175 HG12 VAL 42 2HG1 VAL 42 -3.025 -20.520 -6.964 176 HG13 VAL 42 3HG1 VAL 42 -3.451 -20.710 -5.263 177 HG21 VAL 42 1HG2 VAL 42 -5.423 -19.984 -4.465 178 HG22 VAL 42 2HG2 VAL 42 -5.419 -18.226 -4.608 179 HG23 VAL 42 3HG2 VAL 42 -6.600 -19.181 -5.504 180 H ASP 43 H ASP 43 -1.550 -19.279 -5.626 181 HA ASP 43 HA ASP 43 -1.687 -19.127 -2.841 182 HB2 ASP 43 2HB ASP 43 -0.171 -20.582 -4.353 183 HB3 ASP 43 3HB ASP 43 0.931 -19.208 -4.320 184 H VAL 44 H VAL 44 -0.002 -17.038 -5.162 185 HA VAL 44 HA VAL 44 1.149 -15.330 -3.213 186 HB VAL 44 HB VAL 44 0.544 -14.752 -6.117 187 HG11 VAL 44 1HG1 VAL 44 2.740 -13.281 -5.452 188 HG12 VAL 44 2HG1 VAL 44 1.089 -12.662 -5.510 189 HG13 VAL 44 3HG1 VAL 44 1.783 -13.184 -3.975 190 HG21 VAL 44 1HG2 VAL 44 2.843 -15.392 -6.545 191 HG22 VAL 44 2HG2 VAL 44 3.092 -15.735 -4.833 192 HG23 VAL 44 3HG2 VAL 44 1.980 -16.725 -5.777 193 H ILE 45 H ILE 45 -1.744 -15.034 -5.258 194 HA ILE 45 HA ILE 45 -2.576 -12.506 -4.522 195 HB ILE 45 HB ILE 45 -4.339 -14.897 -5.070 196 HG12 ILE 45 2HG1 ILE 45 -3.374 -12.744 -6.962 197 HG13 ILE 45 3HG1 ILE 45 -2.666 -14.351 -6.849 198 HG21 ILE 45 1HG2 ILE 45 -5.649 -12.661 -5.973 199 HG22 ILE 45 2HG2 ILE 45 -5.982 -13.510 -4.464 200 HG23 ILE 45 3HG2 ILE 45 -4.917 -12.105 -4.468 201 HD11 ILE 45 1HD1 ILE 45 -4.464 -13.777 -8.664 202 HD12 ILE 45 2HD1 ILE 45 -4.444 -15.352 -7.870 203 HD13 ILE 45 3HD1 ILE 45 -5.585 -14.114 -7.346 204 H GLN 46 H GLN 46 -3.512 -15.593 -3.002 205 HA GLN 46 HA GLN 46 -4.999 -14.403 -0.912 206 HB2 GLN 46 2HB GLN 46 -5.425 -16.689 -1.462 207 HB3 GLN 46 3HB GLN 46 -3.743 -17.130 -1.203 208 HG2 GLN 46 2HG GLN 46 -5.300 -17.837 0.605 209 HG3 GLN 46 3HG GLN 46 -3.942 -16.852 1.145 210 HE21 GLN 46 1HE2 GLN 46 -7.012 -15.955 -0.371 211 HE22 GLN 46 2HE2 GLN 46 -7.543 -14.924 0.909 212 H SER 47 H SER 47 -1.652 -15.528 -1.138 213 HA SER 47 HA SER 47 -0.882 -15.281 1.508 214 HB2 SER 47 2HB SER 47 0.692 -16.260 0.059 215 HB3 SER 47 3HB SER 47 0.623 -14.911 -1.074 216 HG SER 47 HG SER 47 1.572 -14.615 1.574 217 H LEU 48 H LEU 48 -1.084 -12.795 -0.995 218 HA LEU 48 HA LEU 48 0.071 -10.709 0.522 219 HB2 LEU 48 2HB LEU 48 -1.586 -10.888 -1.940 220 HB3 LEU 48 3HB LEU 48 -1.435 -9.319 -1.151 221 HG LEU 48 HG LEU 48 0.973 -10.931 -1.947 222 HD11 LEU 48 1HD1 LEU 48 0.975 -10.106 -4.077 223 HD12 LEU 48 2HD1 LEU 48 -0.032 -8.720 -3.662 224 HD13 LEU 48 3HD1 LEU 48 -0.758 -10.318 -3.831 225 HD21 LEU 48 1HD2 LEU 48 2.055 -8.742 -1.914 226 HD22 LEU 48 2HD2 LEU 48 1.316 -9.112 -0.356 227 HD23 LEU 48 3HD2 LEU 48 0.526 -7.987 -1.463 228 H ASN 49 H ASN 49 -3.091 -12.117 0.465 229 HA ASN 49 HA ASN 49 -4.012 -10.061 2.366 230 HB2 ASN 49 2HB ASN 49 -5.741 -11.653 0.460 231 HB3 ASN 49 3HB ASN 49 -6.283 -10.387 1.558 232 HD21 ASN 49 1HD2 ASN 49 -4.507 -11.088 -1.356 233 HD22 ASN 49 2HD2 ASN 49 -4.516 -9.479 -1.985 234 HA PRO 50 HA PRO 50 -3.888 -14.190 4.489 235 HB2 PRO 50 2HB PRO 50 -2.742 -13.248 6.762 236 HB3 PRO 50 3HB PRO 50 -1.804 -13.765 5.356 237 HG2 PRO 50 2HG PRO 50 -2.577 -11.000 6.204 238 HG3 PRO 50 3HG PRO 50 -1.022 -11.587 5.586 239 HD2 PRO 50 2HD PRO 50 -2.802 -10.265 4.032 240 HD3 PRO 50 3HD PRO 50 -1.728 -11.525 3.393 241 H GLY 51 H GLY 51 -5.169 -11.056 5.146 242 HA2 GLY 51 2HA GLY 51 -6.537 -11.658 7.567 243 HA3 GLY 51 3HA GLY 51 -6.881 -10.313 6.491 244 H VAL 52 H VAL 52 -7.262 -12.218 4.214 245 HA VAL 52 HA VAL 52 -9.991 -13.053 4.933 246 HB VAL 52 HB VAL 52 -10.374 -13.049 2.432 247 HG11 VAL 52 1HG1 VAL 52 -9.595 -10.310 3.341 248 HG12 VAL 52 2HG1 VAL 52 -11.021 -10.830 2.440 249 HG13 VAL 52 3HG1 VAL 52 -10.889 -11.179 4.165 250 HG21 VAL 52 1HG2 VAL 52 -7.758 -11.545 2.441 251 HG22 VAL 52 2HG2 VAL 52 -8.024 -13.146 1.751 252 HG23 VAL 52 3HG2 VAL 52 -8.836 -11.742 1.059 253 H VAL 53 H VAL 53 -10.826 -14.994 3.853 254 HA VAL 53 HA VAL 53 -8.739 -16.947 3.163 255 HB VAL 53 HB VAL 53 -10.187 -18.669 4.391 256 HG11 VAL 53 1HG1 VAL 53 -9.203 -17.551 6.680 257 HG12 VAL 53 2HG1 VAL 53 -8.267 -18.518 5.539 258 HG13 VAL 53 3HG1 VAL 53 -8.235 -16.757 5.438 259 HG21 VAL 53 1HG2 VAL 53 -11.038 -16.592 6.281 260 HG22 VAL 53 2HG2 VAL 53 -11.892 -16.579 4.739 261 HG23 VAL 53 3HG2 VAL 53 -11.881 -18.039 5.728 262 HA PRO 54 HA PRO 54 -11.315 -18.102 -0.199 263 HB2 PRO 54 2HB PRO 54 -10.780 -20.756 -0.403 264 HB3 PRO 54 3HB PRO 54 -9.621 -19.504 -0.866 265 HG2 PRO 54 2HG PRO 54 -9.773 -21.104 1.659 266 HG3 PRO 54 3HG PRO 54 -8.351 -20.676 0.690 267 HD2 PRO 54 2HD PRO 54 -9.019 -19.355 2.957 268 HD3 PRO 54 3HD PRO 54 -8.220 -18.557 1.587 269 H THR 55 H THR 55 -11.595 -19.946 2.779 270 HA THR 55 HA THR 55 -13.907 -21.415 2.150 271 HB THR 55 HB THR 55 -13.385 -20.440 4.939 272 HG1 THR 55 HG1 THR 55 -11.827 -22.263 3.419 273 HG21 THR 55 1HG2 THR 55 -14.524 -22.898 3.653 274 HG22 THR 55 2HG2 THR 55 -15.232 -21.858 4.889 275 HG23 THR 55 3HG2 THR 55 -13.912 -22.950 5.306 276 H ARG 56 H ARG 56 -13.445 -18.116 3.180 277 HA ARG 56 HA ARG 56 -16.361 -17.762 3.362 278 HB2 ARG 56 2HB ARG 56 -14.268 -15.820 4.332 279 HB3 ARG 56 3HB ARG 56 -15.981 -15.848 4.727 280 HG2 ARG 56 2HG ARG 56 -13.969 -17.932 5.550 281 HG3 ARG 56 3HG ARG 56 -14.590 -16.638 6.577 282 HD2 ARG 56 2HD ARG 56 -16.144 -18.919 5.368 283 HD3 ARG 56 3HD ARG 56 -15.790 -18.655 7.075 284 HE ARG 56 HE ARG 56 -17.892 -17.458 5.544 285 HH11 ARG 56 1HH1 ARG 56 -15.772 -17.019 8.270 286 HH12 ARG 56 2HH1 ARG 56 -16.838 -15.926 9.089 287 HH21 ARG 56 1HH2 ARG 56 -19.304 -16.020 6.612 288 HH22 ARG 56 2HH2 ARG 56 -18.847 -15.359 8.145 289 H LEU 57 H LEU 57 -15.596 -17.979 0.836 290 HA LEU 57 HA LEU 57 -14.762 -15.512 -0.347 291 HB2 LEU 57 2HB LEU 57 -14.566 -17.936 -1.247 292 HB3 LEU 57 3HB LEU 57 -16.209 -17.673 -1.828 293 HG LEU 57 HG LEU 57 -14.103 -15.693 -2.556 294 HD11 LEU 57 1HD1 LEU 57 -12.851 -17.499 -3.216 295 HD12 LEU 57 2HD1 LEU 57 -13.838 -17.235 -4.653 296 HD13 LEU 57 3HD1 LEU 57 -14.264 -18.511 -3.513 297 HD21 LEU 57 1HD2 LEU 57 -16.208 -15.074 -3.318 298 HD22 LEU 57 2HD2 LEU 57 -16.666 -16.732 -3.708 299 HD23 LEU 57 3HD2 LEU 57 -15.498 -15.878 -4.718 300 H GLN 58 H GLN 58 -15.957 -13.896 -1.215 301 HA GLN 58 HA GLN 58 -18.827 -14.200 -1.536 302 HB2 GLN 58 2HB GLN 58 -18.583 -13.516 0.812 303 HB3 GLN 58 3HB GLN 58 -17.654 -12.111 0.308 304 HG2 GLN 58 2HG GLN 58 -19.708 -11.171 0.595 305 HG3 GLN 58 3HG GLN 58 -19.787 -11.593 -1.115 306 HE21 GLN 58 1HE2 GLN 58 -21.861 -11.265 1.013 307 HE22 GLN 58 2HE2 GLN 58 -22.787 -12.722 0.952 308 H VAL 59 H VAL 59 -19.477 -13.174 -3.313 309 HA VAL 59 HA VAL 59 -17.692 -11.755 -4.961 310 HB VAL 59 HB VAL 59 -19.614 -11.259 -6.376 311 HG11 VAL 59 1HG1 VAL 59 -18.762 -13.423 -6.712 312 HG12 VAL 59 2HG1 VAL 59 -19.468 -14.025 -5.210 313 HG13 VAL 59 3HG1 VAL 59 -20.508 -13.635 -6.581 314 HG21 VAL 59 1HG2 VAL 59 -21.372 -10.642 -5.017 315 HG22 VAL 59 2HG2 VAL 59 -21.859 -12.265 -5.506 316 HG23 VAL 59 3HG2 VAL 59 -21.140 -12.002 -3.918 317 H GLY 60 H GLY 60 -17.405 -9.597 -5.369 318 HA2 GLY 60 2HA GLY 60 -17.810 -7.297 -5.192 319 HA3 GLY 60 3HA GLY 60 -19.072 -7.633 -4.016 320 H GLN 61 H GLN 61 -15.661 -8.615 -4.035 321 HA GLN 61 HA GLN 61 -15.243 -6.971 -1.634 322 HB2 GLN 61 2HB GLN 61 -15.640 -9.362 -1.029 323 HB3 GLN 61 3HB GLN 61 -14.222 -9.794 -1.976 324 HG2 GLN 61 2HG GLN 61 -12.784 -8.585 -0.508 325 HG3 GLN 61 3HG GLN 61 -14.159 -7.898 0.356 326 HE21 GLN 61 1HE2 GLN 61 -13.160 -11.152 -0.659 327 HE22 GLN 61 2HE2 GLN 61 -13.377 -11.886 0.890 328 H VAL 62 H VAL 62 -13.328 -5.919 -1.524 329 HA VAL 62 HA VAL 62 -11.630 -6.026 -3.884 330 HB VAL 62 HB VAL 62 -11.383 -4.179 -1.509 331 HG11 VAL 62 1HG1 VAL 62 -10.305 -4.059 -4.322 332 HG12 VAL 62 2HG1 VAL 62 -10.216 -2.734 -3.160 333 HG13 VAL 62 3HG1 VAL 62 -9.380 -4.253 -2.833 334 HG21 VAL 62 1HG2 VAL 62 -13.314 -3.279 -2.170 335 HG22 VAL 62 2HG2 VAL 62 -12.454 -2.730 -3.609 336 HG23 VAL 62 3HG2 VAL 62 -13.349 -4.248 -3.643 337 H ILE 63 H ILE 63 -9.381 -6.338 -3.820 338 HA ILE 63 HA ILE 63 -8.219 -7.337 -1.333 339 HB ILE 63 HB ILE 63 -7.256 -9.306 -2.474 340 HG12 ILE 63 2HG1 ILE 63 -9.265 -9.059 -4.664 341 HG13 ILE 63 3HG1 ILE 63 -7.785 -8.115 -4.796 342 HG21 ILE 63 1HG2 ILE 63 -9.086 -10.666 -2.108 343 HG22 ILE 63 2HG2 ILE 63 -9.520 -9.217 -1.202 344 HG23 ILE 63 3HG2 ILE 63 -10.220 -9.503 -2.796 345 HD11 ILE 63 1HD1 ILE 63 -6.502 -10.226 -4.500 346 HD12 ILE 63 2HD1 ILE 63 -8.030 -11.102 -4.584 347 HD13 ILE 63 3HD1 ILE 63 -7.477 -10.160 -5.968 348 H ASN 64 H ASN 64 -5.801 -7.957 -1.832 349 HA ASN 64 HA ASN 64 -4.682 -5.695 -3.337 350 HB2 ASN 64 2HB ASN 64 -3.864 -7.145 -0.874 351 HB3 ASN 64 3HB ASN 64 -2.574 -6.553 -1.917 352 HD21 ASN 64 1HD2 ASN 64 -5.533 -5.540 -0.277 353 HD22 ASN 64 2HD2 ASN 64 -5.019 -3.918 0.027 354 H VAL 65 H VAL 65 -3.246 -5.997 -4.965 355 HA VAL 65 HA VAL 65 -2.247 -8.703 -5.484 356 HB VAL 65 HB VAL 65 -2.735 -8.273 -7.964 357 HG11 VAL 65 1HG1 VAL 65 -5.199 -8.681 -6.297 358 HG12 VAL 65 2HG1 VAL 65 -4.772 -9.429 -7.837 359 HG13 VAL 65 3HG1 VAL 65 -3.909 -9.881 -6.366 360 HG21 VAL 65 1HG2 VAL 65 -5.055 -6.645 -7.112 361 HG22 VAL 65 2HG2 VAL 65 -3.495 -5.828 -7.197 362 HG23 VAL 65 3HG2 VAL 65 -4.151 -6.626 -8.626 363 HA PRO 66 HA PRO 66 1.528 -6.718 -6.523 364 HB2 PRO 66 2HB PRO 66 2.506 -8.381 -8.433 365 HB3 PRO 66 3HB PRO 66 2.444 -8.815 -6.721 366 HG2 PRO 66 2HG PRO 66 0.574 -9.567 -8.935 367 HG3 PRO 66 3HG PRO 66 1.227 -10.575 -7.630 368 HD2 PRO 66 2HD PRO 66 -1.270 -9.530 -7.553 369 HD3 PRO 66 3HD PRO 66 -0.299 -9.791 -6.090 370 H CYS 67 H CYS 67 0.968 -4.766 -7.464 371 HA CYS 67 HA CYS 67 -0.179 -4.364 -9.962 372 HB2 CYS 67 2HB CYS 67 0.419 -2.699 -8.008 373 HB3 CYS 67 3HB CYS 67 1.883 -2.445 -8.953 Start of MODEL 6 1 H1 MET 19 H MET 19 0.860 -0.603 -0.142 2 HA MET 19 HA MET 19 -0.009 1.454 -1.953 3 HB2 MET 19 2HB MET 19 1.904 2.358 -0.363 4 HB3 MET 19 3HB MET 19 2.938 1.474 -1.477 5 HG2 MET 19 2HG MET 19 2.881 3.660 -2.296 6 HG3 MET 19 3HG MET 19 1.785 2.750 -3.335 7 HE1 MET 19 1HE MET 19 1.383 5.528 -0.072 8 HE2 MET 19 2HE MET 19 2.583 5.497 -1.364 9 HE3 MET 19 3HE MET 19 1.182 6.563 -1.486 10 H GLY 20 H GLY 20 -0.056 0.591 -3.924 11 HA2 GLY 20 2HA GLY 20 1.867 -0.641 -5.362 12 HA3 GLY 20 3HA GLY 20 1.224 -1.960 -4.395 13 H CYS 21 H CYS 21 -0.324 -3.108 -5.323 14 HA CYS 21 HA CYS 21 -2.153 -1.767 -7.194 15 HB2 CYS 21 2HB CYS 21 -0.526 -4.248 -7.643 16 HB3 CYS 21 3HB CYS 21 -2.074 -4.051 -8.457 17 H THR 22 H THR 22 -4.259 -2.368 -7.063 18 HA THR 22 HA THR 22 -4.933 -4.605 -5.272 19 HB THR 22 HB THR 22 -7.011 -3.072 -4.722 20 HG1 THR 22 HG1 THR 22 -6.254 -1.362 -6.118 21 HG21 THR 22 1HG2 THR 22 -5.786 -3.754 -2.889 22 HG22 THR 22 2HG2 THR 22 -5.500 -2.014 -2.856 23 HG23 THR 22 3HG2 THR 22 -4.276 -3.096 -3.520 24 H TYR 23 H TYR 23 -6.632 -5.867 -5.882 25 HA TYR 23 HA TYR 23 -7.927 -5.170 -8.436 26 HB2 TYR 23 2HB TYR 23 -6.536 -7.100 -8.746 27 HB3 TYR 23 3HB TYR 23 -7.178 -7.867 -7.297 28 HD1 TYR 23 HD1 TYR 23 -9.352 -8.944 -7.317 29 HD2 TYR 23 HD2 TYR 23 -7.822 -7.062 -10.813 30 HE1 TYR 23 HE1 TYR 23 -11.064 -10.079 -8.671 31 HE2 TYR 23 HE2 TYR 23 -9.530 -8.191 -12.176 32 HH TYR 23 HH TYR 23 -12.077 -9.230 -11.444 33 H THR 24 H THR 24 -10.124 -5.425 -8.649 34 HA THR 24 HA THR 24 -11.597 -5.716 -6.132 35 HB THR 24 HB THR 24 -12.586 -4.655 -8.786 36 HG1 THR 24 HG1 THR 24 -11.933 -2.731 -8.125 37 HG21 THR 24 1HG2 THR 24 -14.372 -5.529 -7.363 38 HG22 THR 24 2HG2 THR 24 -14.452 -3.769 -7.459 39 HG23 THR 24 3HG2 THR 24 -13.793 -4.545 -6.019 40 H ILE 25 H ILE 25 -12.344 -7.688 -5.725 41 HA ILE 25 HA ILE 25 -12.813 -9.602 -7.825 42 HB ILE 25 HB ILE 25 -13.504 -9.895 -4.903 43 HG12 ILE 25 2HG1 ILE 25 -10.914 -10.555 -6.321 44 HG13 ILE 25 3HG1 ILE 25 -11.143 -9.264 -5.147 45 HG21 ILE 25 1HG2 ILE 25 -14.470 -11.524 -6.530 46 HG22 ILE 25 2HG2 ILE 25 -12.824 -11.996 -6.950 47 HG23 ILE 25 3HG2 ILE 25 -13.422 -12.248 -5.311 48 HD11 ILE 25 1HD1 ILE 25 -11.700 -10.966 -3.449 49 HD12 ILE 25 2HD1 ILE 25 -11.340 -12.221 -4.636 50 HD13 ILE 25 3HD1 ILE 25 -10.066 -11.129 -4.094 51 H GLN 26 H GLN 26 -14.569 -9.294 -9.054 52 HA GLN 26 HA GLN 26 -17.089 -8.521 -7.767 53 HB2 GLN 26 2HB GLN 26 -15.998 -8.268 -10.532 54 HB3 GLN 26 3HB GLN 26 -17.741 -8.388 -10.333 55 HG2 GLN 26 2HG GLN 26 -16.137 -6.393 -8.782 56 HG3 GLN 26 3HG GLN 26 -16.677 -6.062 -10.427 57 HE21 GLN 26 1HE2 GLN 26 -17.446 -5.802 -7.216 58 HE22 GLN 26 2HE2 GLN 26 -19.145 -5.524 -7.359 59 HA PRO 27 HA PRO 27 -19.282 -12.289 -8.108 60 HB2 PRO 27 2HB PRO 27 -21.054 -11.006 -10.134 61 HB3 PRO 27 3HB PRO 27 -21.479 -11.858 -8.645 62 HG2 PRO 27 2HG PRO 27 -21.565 -9.184 -8.797 63 HG3 PRO 27 3HG PRO 27 -21.061 -10.016 -7.314 64 HD2 PRO 27 2HD PRO 27 -19.446 -8.533 -9.294 65 HD3 PRO 27 3HD PRO 27 -19.186 -8.768 -7.554 66 H GLY 28 H GLY 28 -18.807 -14.096 -9.195 67 HA2 GLY 28 2HA GLY 28 -18.729 -15.476 -11.111 68 HA3 GLY 28 3HA GLY 28 -18.677 -14.037 -12.117 69 H ASP 29 H ASP 29 -16.535 -13.005 -10.175 70 HA ASP 29 HA ASP 29 -14.307 -13.961 -11.716 71 HB2 ASP 29 2HB ASP 29 -14.391 -12.098 -9.333 72 HB3 ASP 29 3HB ASP 29 -12.983 -12.385 -10.351 73 H THR 30 H THR 30 -12.862 -15.483 -11.199 74 HA THR 30 HA THR 30 -13.046 -16.687 -8.515 75 HB THR 30 HB THR 30 -12.321 -18.792 -9.474 76 HG1 THR 30 HG1 THR 30 -11.984 -18.953 -11.735 77 HG21 THR 30 1HG2 THR 30 -14.331 -19.390 -10.398 78 HG22 THR 30 2HG2 THR 30 -14.411 -17.956 -11.422 79 HG23 THR 30 3HG2 THR 30 -14.780 -17.834 -9.702 80 H PHE 31 H PHE 31 -11.107 -17.443 -7.532 81 HA PHE 31 HA PHE 31 -8.970 -15.687 -7.585 82 HB2 PHE 31 2HB PHE 31 -9.379 -18.437 -6.512 83 HB3 PHE 31 3HB PHE 31 -7.733 -17.814 -6.572 84 HD1 PHE 31 HD1 PHE 31 -7.813 -15.120 -5.813 85 HD2 PHE 31 HD2 PHE 31 -10.269 -18.302 -4.411 86 HE1 PHE 31 HE1 PHE 31 -8.201 -13.893 -3.716 87 HE2 PHE 31 HE2 PHE 31 -10.661 -17.079 -2.313 88 HZ PHE 31 HZ PHE 31 -9.627 -14.871 -1.963 89 H TRP 32 H TRP 32 -9.083 -18.961 -8.993 90 HA TRP 32 HA TRP 32 -6.584 -19.004 -10.164 91 HB2 TRP 32 2HB TRP 32 -7.932 -20.994 -10.120 92 HB3 TRP 32 3HB TRP 32 -9.177 -20.235 -11.109 93 HD1 TRP 32 HD1 TRP 32 -5.693 -21.806 -11.369 94 HE1 TRP 32 HE1 TRP 32 -5.223 -22.353 -13.839 95 HE3 TRP 32 HE3 TRP 32 -9.770 -19.563 -13.487 96 HZ2 TRP 32 HZ2 TRP 32 -6.421 -21.893 -16.353 97 HZ3 TRP 32 HZ3 TRP 32 -10.033 -19.662 -15.931 98 HH2 TRP 32 HH2 TRP 32 -8.392 -20.803 -17.333 99 H ALA 33 H ALA 33 -9.635 -18.028 -11.735 100 HA ALA 33 HA ALA 33 -8.626 -17.249 -14.182 101 HB1 ALA 33 1HB ALA 33 -11.020 -17.390 -13.655 102 HB2 ALA 33 2HB ALA 33 -10.882 -15.926 -12.680 103 HB3 ALA 33 3HB ALA 33 -10.600 -15.858 -14.420 104 H ILE 34 H ILE 34 -9.213 -15.111 -11.384 105 HA ILE 34 HA ILE 34 -8.121 -12.793 -12.452 106 HB ILE 34 HB ILE 34 -8.080 -13.665 -9.560 107 HG12 ILE 34 2HG1 ILE 34 -10.069 -11.821 -10.869 108 HG13 ILE 34 3HG1 ILE 34 -10.318 -13.563 -10.829 109 HG21 ILE 34 1HG2 ILE 34 -8.264 -10.988 -9.468 110 HG22 ILE 34 2HG2 ILE 34 -6.732 -11.858 -9.412 111 HG23 ILE 34 3HG2 ILE 34 -7.301 -11.172 -10.934 112 HD11 ILE 34 1HD1 ILE 34 -10.383 -13.564 -8.446 113 HD12 ILE 34 2HD1 ILE 34 -9.900 -11.869 -8.382 114 HD13 ILE 34 3HD1 ILE 34 -11.480 -12.313 -9.029 115 H ALA 35 H ALA 35 -6.538 -15.440 -10.726 116 HA ALA 35 HA ALA 35 -4.010 -14.309 -10.409 117 HB1 ALA 35 1HB ALA 35 -5.091 -16.641 -9.676 118 HB2 ALA 35 2HB ALA 35 -4.128 -17.194 -11.047 119 HB3 ALA 35 3HB ALA 35 -3.350 -16.358 -9.703 120 H GLN 36 H GLN 36 -4.979 -16.626 -12.949 121 HA GLN 36 HA GLN 36 -2.684 -16.330 -14.513 122 HB2 GLN 36 2HB GLN 36 -5.453 -17.016 -15.507 123 HB3 GLN 36 3HB GLN 36 -3.927 -17.411 -16.286 124 HG2 GLN 36 2HG GLN 36 -4.834 -18.458 -13.614 125 HG3 GLN 36 3HG GLN 36 -4.933 -19.331 -15.142 126 HE21 GLN 36 1HE2 GLN 36 -3.043 -18.637 -12.449 127 HE22 GLN 36 2HE2 GLN 36 -1.562 -19.342 -12.990 128 H ARG 37 H ARG 37 -5.485 -14.327 -14.203 129 HA ARG 37 HA ARG 37 -5.141 -12.921 -16.679 130 HB2 ARG 37 2HB ARG 37 -7.308 -13.152 -15.369 131 HB3 ARG 37 3HB ARG 37 -6.656 -11.956 -14.257 132 HG2 ARG 37 2HG ARG 37 -6.322 -10.544 -16.427 133 HG3 ARG 37 3HG ARG 37 -7.550 -11.631 -17.078 134 HD2 ARG 37 2HD ARG 37 -9.100 -11.002 -15.354 135 HD3 ARG 37 3HD ARG 37 -7.863 -10.054 -14.530 136 HE ARG 37 HE ARG 37 -8.319 -8.328 -15.949 137 HH11 ARG 37 1HH1 ARG 37 -9.490 -11.281 -17.374 138 HH12 ARG 37 2HH1 ARG 37 -10.249 -10.486 -18.714 139 HH21 ARG 37 1HH2 ARG 37 -9.315 -7.270 -17.707 140 HH22 ARG 37 2HH2 ARG 37 -10.148 -8.205 -18.902 141 H ARG 38 H ARG 38 -4.065 -12.513 -13.371 142 HA ARG 38 HA ARG 38 -2.784 -9.969 -14.080 143 HB2 ARG 38 2HB ARG 38 -3.232 -11.247 -11.376 144 HB3 ARG 38 3HB ARG 38 -2.448 -9.696 -11.643 145 HG2 ARG 38 2HG ARG 38 -5.284 -10.328 -12.428 146 HG3 ARG 38 3HG ARG 38 -4.810 -9.512 -10.936 147 HD2 ARG 38 2HD ARG 38 -4.449 -8.552 -13.766 148 HD3 ARG 38 3HD ARG 38 -5.436 -7.828 -12.497 149 HE ARG 38 HE ARG 38 -2.889 -7.801 -11.502 150 HH11 ARG 38 1HH1 ARG 38 -4.445 -6.572 -14.363 151 HH12 ARG 38 2HH1 ARG 38 -3.371 -5.222 -14.525 152 HH21 ARG 38 1HH2 ARG 38 -1.469 -6.028 -11.704 153 HH22 ARG 38 2HH2 ARG 38 -1.678 -4.914 -13.013 154 H GLY 39 H GLY 39 -1.877 -12.740 -14.823 155 HA2 GLY 39 2HA GLY 39 0.080 -13.938 -14.933 156 HA3 GLY 39 3HA GLY 39 0.860 -12.381 -14.699 157 H THR 40 H THR 40 -1.258 -13.731 -12.285 158 HA THR 40 HA THR 40 1.089 -14.387 -10.628 159 HB THR 40 HB THR 40 0.025 -12.238 -9.930 160 HG1 THR 40 HG1 THR 40 1.099 -13.402 -8.346 161 HG21 THR 40 1HG2 THR 40 -2.292 -12.781 -10.502 162 HG22 THR 40 2HG2 THR 40 -2.153 -12.320 -8.806 163 HG23 THR 40 3HG2 THR 40 -2.318 -14.019 -9.248 164 H THR 41 H THR 41 0.320 -15.672 -8.605 165 HA THR 41 HA THR 41 -1.500 -17.785 -9.557 166 HB THR 41 HB THR 41 -0.227 -19.092 -7.639 167 HG1 THR 41 HG1 THR 41 1.963 -18.390 -7.547 168 HG21 THR 41 1HG2 THR 41 1.383 -18.683 -10.119 169 HG22 THR 41 2HG2 THR 41 -0.251 -19.332 -10.258 170 HG23 THR 41 3HG2 THR 41 0.955 -20.179 -9.290 171 H VAL 42 H VAL 42 -2.967 -18.725 -8.095 172 HA VAL 42 HA VAL 42 -4.340 -17.012 -6.413 173 HB VAL 42 HB VAL 42 -4.248 -20.028 -6.256 174 HG11 VAL 42 1HG1 VAL 42 -5.930 -17.971 -4.920 175 HG12 VAL 42 2HG1 VAL 42 -6.689 -19.486 -5.414 176 HG13 VAL 42 3HG1 VAL 42 -5.318 -19.505 -4.303 177 HG21 VAL 42 1HG2 VAL 42 -5.486 -18.146 -8.123 178 HG22 VAL 42 2HG2 VAL 42 -5.140 -19.865 -8.308 179 HG23 VAL 42 3HG2 VAL 42 -6.600 -19.345 -7.466 180 H ASP 43 H ASP 43 -1.823 -19.366 -5.610 181 HA ASP 43 HA ASP 43 -1.923 -19.284 -2.852 182 HB2 ASP 43 2HB ASP 43 -0.386 -20.636 -4.480 183 HB3 ASP 43 3HB ASP 43 0.729 -19.291 -4.254 184 H VAL 44 H VAL 44 -0.148 -17.117 -5.038 185 HA VAL 44 HA VAL 44 0.948 -15.506 -2.975 186 HB VAL 44 HB VAL 44 0.488 -14.829 -5.884 187 HG11 VAL 44 1HG1 VAL 44 0.941 -12.756 -5.102 188 HG12 VAL 44 2HG1 VAL 44 1.719 -13.359 -3.638 189 HG13 VAL 44 3HG1 VAL 44 2.603 -13.343 -5.165 190 HG21 VAL 44 1HG2 VAL 44 2.879 -15.397 -6.132 191 HG22 VAL 44 2HG2 VAL 44 2.899 -15.947 -4.456 192 HG23 VAL 44 3HG2 VAL 44 1.898 -16.779 -5.646 193 H ILE 45 H ILE 45 -1.808 -15.026 -5.176 194 HA ILE 45 HA ILE 45 -2.635 -12.532 -4.338 195 HB ILE 45 HB ILE 45 -4.411 -14.841 -5.140 196 HG12 ILE 45 2HG1 ILE 45 -3.332 -12.595 -6.852 197 HG13 ILE 45 3HG1 ILE 45 -2.587 -14.187 -6.757 198 HG21 ILE 45 1HG2 ILE 45 -5.672 -13.075 -4.050 199 HG22 ILE 45 2HG2 ILE 45 -4.944 -11.873 -5.114 200 HG23 ILE 45 3HG2 ILE 45 -6.021 -13.101 -5.778 201 HD11 ILE 45 1HD1 ILE 45 -5.461 -14.144 -7.390 202 HD12 ILE 45 2HD1 ILE 45 -4.375 -13.494 -8.619 203 HD13 ILE 45 3HD1 ILE 45 -4.164 -15.146 -8.040 204 H GLN 46 H GLN 46 -3.658 -15.686 -3.037 205 HA GLN 46 HA GLN 46 -5.289 -14.598 -0.995 206 HB2 GLN 46 2HB GLN 46 -5.681 -16.852 -1.683 207 HB3 GLN 46 3HB GLN 46 -4.017 -17.310 -1.346 208 HG2 GLN 46 2HG GLN 46 -5.778 -18.056 0.313 209 HG3 GLN 46 3HG GLN 46 -4.349 -17.257 0.967 210 HE21 GLN 46 1HE2 GLN 46 -7.224 -15.902 -0.580 211 HE22 GLN 46 2HE2 GLN 46 -7.710 -14.936 0.767 212 H SER 47 H SER 47 -1.935 -15.721 -1.062 213 HA SER 47 HA SER 47 -1.338 -15.608 1.637 214 HB2 SER 47 2HB SER 47 0.196 -16.480 -0.105 215 HB3 SER 47 3HB SER 47 0.495 -14.828 -0.644 216 HG SER 47 HG SER 47 2.116 -15.483 0.785 217 H LEU 48 H LEU 48 -1.349 -13.002 -0.752 218 HA LEU 48 HA LEU 48 -0.308 -11.000 0.952 219 HB2 LEU 48 2HB LEU 48 -1.766 -11.044 -1.640 220 HB3 LEU 48 3HB LEU 48 -1.662 -9.517 -0.767 221 HG LEU 48 HG LEU 48 0.747 -11.150 -1.550 222 HD11 LEU 48 1HD1 LEU 48 0.410 -10.502 -3.646 223 HD12 LEU 48 2HD1 LEU 48 0.649 -8.841 -3.104 224 HD13 LEU 48 3HD1 LEU 48 -0.978 -9.517 -3.184 225 HD21 LEU 48 1HD2 LEU 48 0.293 -8.457 -0.333 226 HD22 LEU 48 2HD2 LEU 48 1.732 -8.756 -1.309 227 HD23 LEU 48 3HD2 LEU 48 1.428 -9.724 0.135 228 H ASN 49 H ASN 49 -3.450 -12.395 0.598 229 HA ASN 49 HA ASN 49 -4.519 -10.413 2.500 230 HB2 ASN 49 2HB ASN 49 -6.064 -11.912 0.371 231 HB3 ASN 49 3HB ASN 49 -6.733 -10.747 1.510 232 HD21 ASN 49 1HD2 ASN 49 -4.430 -11.120 -1.128 233 HD22 ASN 49 2HD2 ASN 49 -4.540 -9.492 -1.695 234 HA PRO 50 HA PRO 50 -4.553 -14.625 4.457 235 HB2 PRO 50 2HB PRO 50 -3.587 -13.777 6.848 236 HB3 PRO 50 3HB PRO 50 -2.542 -14.238 5.499 237 HG2 PRO 50 2HG PRO 50 -3.383 -11.509 6.396 238 HG3 PRO 50 3HG PRO 50 -1.784 -12.073 5.877 239 HD2 PRO 50 2HD PRO 50 -3.441 -10.686 4.245 240 HD3 PRO 50 3HD PRO 50 -2.319 -11.922 3.640 241 H GLY 51 H GLY 51 -5.885 -11.517 5.140 242 HA2 GLY 51 2HA GLY 51 -7.413 -12.161 7.435 243 HA3 GLY 51 3HA GLY 51 -7.729 -10.834 6.328 244 H VAL 52 H VAL 52 -7.999 -12.577 4.002 245 HA VAL 52 HA VAL 52 -10.674 -13.642 4.610 246 HB VAL 52 HB VAL 52 -9.594 -12.880 1.896 247 HG11 VAL 52 1HG1 VAL 52 -11.374 -14.393 1.622 248 HG12 VAL 52 2HG1 VAL 52 -12.309 -13.657 2.924 249 HG13 VAL 52 3HG1 VAL 52 -12.088 -12.796 1.400 250 HG21 VAL 52 1HG2 VAL 52 -9.644 -10.844 3.048 251 HG22 VAL 52 2HG2 VAL 52 -11.194 -10.904 2.210 252 HG23 VAL 52 3HG2 VAL 52 -11.108 -11.276 3.932 253 H VAL 53 H VAL 53 -11.326 -15.639 3.741 254 HA VAL 53 HA VAL 53 -9.122 -17.366 2.816 255 HB VAL 53 HB VAL 53 -10.462 -19.250 3.922 256 HG11 VAL 53 1HG1 VAL 53 -8.301 -18.413 4.741 257 HG12 VAL 53 2HG1 VAL 53 -9.147 -17.195 5.698 258 HG13 VAL 53 3HG1 VAL 53 -9.363 -18.908 6.059 259 HG21 VAL 53 1HG2 VAL 53 -11.893 -18.648 5.769 260 HG22 VAL 53 2HG2 VAL 53 -11.604 -16.932 5.481 261 HG23 VAL 53 3HG2 VAL 53 -12.498 -17.887 4.297 262 HA PRO 54 HA PRO 54 -11.578 -18.492 -0.644 263 HB2 PRO 54 2HB PRO 54 -10.862 -21.087 -0.993 264 HB3 PRO 54 3HB PRO 54 -9.786 -19.735 -1.366 265 HG2 PRO 54 2HG PRO 54 -9.855 -21.487 1.060 266 HG3 PRO 54 3HG PRO 54 -8.456 -20.909 0.137 267 HD2 PRO 54 2HD PRO 54 -9.236 -19.771 2.467 268 HD3 PRO 54 3HD PRO 54 -8.478 -18.842 1.157 269 H THR 55 H THR 55 -11.802 -20.432 2.260 270 HA THR 55 HA THR 55 -13.882 -22.149 1.601 271 HB THR 55 HB THR 55 -14.455 -22.088 4.062 272 HG1 THR 55 HG1 THR 55 -12.146 -20.468 4.334 273 HG21 THR 55 1HG2 THR 55 -11.829 -22.763 2.881 274 HG22 THR 55 2HG2 THR 55 -12.984 -23.785 3.735 275 HG23 THR 55 3HG2 THR 55 -11.907 -22.724 4.642 276 H ARG 56 H ARG 56 -14.054 -18.868 2.964 277 HA ARG 56 HA ARG 56 -16.923 -18.828 2.303 278 HB2 ARG 56 2HB ARG 56 -16.966 -16.860 3.923 279 HB3 ARG 56 3HB ARG 56 -16.713 -18.453 4.621 280 HG2 ARG 56 2HG ARG 56 -14.392 -18.042 4.926 281 HG3 ARG 56 3HG ARG 56 -14.471 -16.558 3.974 282 HD2 ARG 56 2HD ARG 56 -15.978 -15.590 5.676 283 HD3 ARG 56 3HD ARG 56 -15.797 -17.057 6.637 284 HE ARG 56 HE ARG 56 -13.243 -16.114 6.150 285 HH11 ARG 56 1HH1 ARG 56 -16.128 -15.003 7.750 286 HH12 ARG 56 2HH1 ARG 56 -15.272 -14.039 8.907 287 HH21 ARG 56 1HH2 ARG 56 -12.104 -14.848 7.669 288 HH22 ARG 56 2HH2 ARG 56 -12.983 -13.951 8.860 289 H LEU 57 H LEU 57 -16.334 -18.336 0.082 290 HA LEU 57 HA LEU 57 -14.897 -15.998 -0.618 291 HB2 LEU 57 2HB LEU 57 -16.877 -17.681 -2.137 292 HB3 LEU 57 3HB LEU 57 -16.012 -16.322 -2.852 293 HG LEU 57 HG LEU 57 -14.796 -18.871 -1.791 294 HD11 LEU 57 1HD1 LEU 57 -14.909 -19.663 -3.861 295 HD12 LEU 57 2HD1 LEU 57 -14.241 -18.176 -4.534 296 HD13 LEU 57 3HD1 LEU 57 -15.976 -18.313 -4.249 297 HD21 LEU 57 1HD2 LEU 57 -12.703 -17.902 -2.819 298 HD22 LEU 57 2HD2 LEU 57 -13.245 -17.150 -1.319 299 HD23 LEU 57 3HD2 LEU 57 -13.546 -16.353 -2.864 300 H GLN 58 H GLN 58 -15.878 -14.170 -1.863 301 HA GLN 58 HA GLN 58 -18.620 -13.500 -1.248 302 HB2 GLN 58 2HB GLN 58 -17.458 -12.835 0.813 303 HB3 GLN 58 3HB GLN 58 -16.356 -11.839 -0.128 304 HG2 GLN 58 2HG GLN 58 -18.081 -10.330 -0.719 305 HG3 GLN 58 3HG GLN 58 -19.329 -11.413 -0.104 306 HE21 GLN 58 1HE2 GLN 58 -18.332 -8.586 0.530 307 HE22 GLN 58 2HE2 GLN 58 -18.218 -8.579 2.253 308 H VAL 59 H VAL 59 -19.458 -12.391 -2.890 309 HA VAL 59 HA VAL 59 -17.707 -11.442 -4.995 310 HB VAL 59 HB VAL 59 -19.718 -11.101 -6.302 311 HG11 VAL 59 1HG1 VAL 59 -18.725 -13.428 -5.869 312 HG12 VAL 59 2HG1 VAL 59 -20.148 -13.696 -4.861 313 HG13 VAL 59 3HG1 VAL 59 -20.338 -13.335 -6.577 314 HG21 VAL 59 1HG2 VAL 59 -21.230 -10.207 -4.697 315 HG22 VAL 59 2HG2 VAL 59 -21.941 -11.704 -5.298 316 HG23 VAL 59 3HG2 VAL 59 -21.157 -11.672 -3.718 317 H GLY 60 H GLY 60 -17.294 -9.363 -5.515 318 HA2 GLY 60 2HA GLY 60 -17.594 -7.044 -5.562 319 HA3 GLY 60 3HA GLY 60 -18.913 -7.215 -4.413 320 H GLN 61 H GLN 61 -15.566 -8.359 -4.165 321 HA GLN 61 HA GLN 61 -15.152 -6.475 -1.946 322 HB2 GLN 61 2HB GLN 61 -15.724 -8.859 -1.212 323 HB3 GLN 61 3HB GLN 61 -14.157 -9.317 -1.866 324 HG2 GLN 61 2HG GLN 61 -12.992 -8.098 -0.268 325 HG3 GLN 61 3HG GLN 61 -14.395 -7.112 0.140 326 HE21 GLN 61 1HE2 GLN 61 -13.634 -10.580 -0.004 327 HE22 GLN 61 2HE2 GLN 61 -14.268 -10.956 1.559 328 H VAL 62 H VAL 62 -13.213 -5.485 -1.911 329 HA VAL 62 HA VAL 62 -11.428 -5.945 -4.147 330 HB VAL 62 HB VAL 62 -11.132 -3.917 -1.931 331 HG11 VAL 62 1HG1 VAL 62 -9.771 -4.420 -4.528 332 HG12 VAL 62 2HG1 VAL 62 -9.983 -2.750 -3.999 333 HG13 VAL 62 3HG1 VAL 62 -9.102 -3.893 -2.984 334 HG21 VAL 62 1HG2 VAL 62 -12.807 -3.916 -4.395 335 HG22 VAL 62 2HG2 VAL 62 -13.158 -3.266 -2.794 336 HG23 VAL 62 3HG2 VAL 62 -12.058 -2.407 -3.872 337 H ILE 63 H ILE 63 -9.208 -6.399 -3.971 338 HA ILE 63 HA ILE 63 -8.210 -7.266 -1.363 339 HB ILE 63 HB ILE 63 -7.325 -9.367 -2.317 340 HG12 ILE 63 2HG1 ILE 63 -9.220 -9.099 -4.618 341 HG13 ILE 63 3HG1 ILE 63 -7.628 -8.357 -4.733 342 HG21 ILE 63 1HG2 ILE 63 -9.515 -9.196 -1.080 343 HG22 ILE 63 2HG2 ILE 63 -10.312 -9.239 -2.652 344 HG23 ILE 63 3HG2 ILE 63 -9.335 -10.608 -2.121 345 HD11 ILE 63 1HD1 ILE 63 -6.547 -10.366 -4.788 346 HD12 ILE 63 2HD1 ILE 63 -7.820 -11.203 -3.899 347 HD13 ILE 63 3HD1 ILE 63 -8.056 -10.787 -5.597 348 H ASN 64 H ASN 64 -5.841 -7.801 -1.472 349 HA ASN 64 HA ASN 64 -4.510 -5.764 -3.065 350 HB2 ASN 64 2HB ASN 64 -4.154 -6.394 -0.507 351 HB3 ASN 64 3HB ASN 64 -3.009 -7.541 -1.197 352 HD21 ASN 64 1HD2 ASN 64 -3.944 -4.142 -1.626 353 HD22 ASN 64 2HD2 ASN 64 -2.329 -3.533 -1.706 354 H VAL 65 H VAL 65 -3.033 -6.138 -4.650 355 HA VAL 65 HA VAL 65 -2.437 -8.945 -5.315 356 HB VAL 65 HB VAL 65 -2.453 -8.152 -7.752 357 HG11 VAL 65 1HG1 VAL 65 -4.771 -8.693 -8.011 358 HG12 VAL 65 2HG1 VAL 65 -4.129 -9.658 -6.680 359 HG13 VAL 65 3HG1 VAL 65 -5.116 -8.235 -6.344 360 HG21 VAL 65 1HG2 VAL 65 -4.133 -5.965 -6.527 361 HG22 VAL 65 2HG2 VAL 65 -2.557 -5.754 -7.289 362 HG23 VAL 65 3HG2 VAL 65 -3.938 -6.276 -8.253 363 HA PRO 66 HA PRO 66 1.784 -7.779 -5.615 364 HB2 PRO 66 2HB PRO 66 2.655 -9.407 -7.605 365 HB3 PRO 66 3HB PRO 66 2.252 -9.997 -5.988 366 HG2 PRO 66 2HG PRO 66 0.610 -10.058 -8.490 367 HG3 PRO 66 3HG PRO 66 0.835 -11.323 -7.268 368 HD2 PRO 66 2HD PRO 66 -1.366 -9.748 -7.347 369 HD3 PRO 66 3HD PRO 66 -0.698 -10.380 -5.828 370 H CYS 67 H CYS 67 1.661 -5.638 -6.348 371 HA CYS 67 HA CYS 67 1.124 -4.853 -8.990 372 HB2 CYS 67 2HB CYS 67 1.369 -3.486 -6.727 373 HB3 CYS 67 3HB CYS 67 3.009 -3.249 -7.322 Start of MODEL 7 1 H1 MET 19 H MET 19 4.566 -0.689 -0.998 2 HA MET 19 HA MET 19 2.647 1.217 -2.063 3 HB2 MET 19 2HB MET 19 5.364 0.761 -3.198 4 HB3 MET 19 3HB MET 19 4.026 0.961 -4.321 5 HG2 MET 19 2HG MET 19 4.985 3.091 -4.031 6 HG3 MET 19 3HG MET 19 3.474 3.095 -3.124 7 HE1 MET 19 1HE MET 19 6.459 5.266 -1.343 8 HE2 MET 19 2HE MET 19 6.805 4.600 -2.939 9 HE3 MET 19 3HE MET 19 5.246 5.363 -2.621 10 H GLY 20 H GLY 20 1.682 0.393 -4.148 11 HA2 GLY 20 2HA GLY 20 1.897 -2.038 -5.294 12 HA3 GLY 20 3HA GLY 20 1.059 -2.413 -3.796 13 H CYS 21 H CYS 21 -0.509 -3.166 -5.536 14 HA CYS 21 HA CYS 21 -2.353 -0.950 -6.137 15 HB2 CYS 21 2HB CYS 21 -1.383 -3.157 -7.907 16 HB3 CYS 21 3HB CYS 21 -3.026 -2.560 -8.118 17 H THR 22 H THR 22 -4.616 -1.604 -6.333 18 HA THR 22 HA THR 22 -5.223 -3.963 -4.672 19 HB THR 22 HB THR 22 -7.391 -2.628 -4.157 20 HG1 THR 22 HG1 THR 22 -7.092 -0.373 -4.261 21 HG21 THR 22 1HG2 THR 22 -6.039 -1.271 -2.384 22 HG22 THR 22 2HG2 THR 22 -4.662 -2.173 -3.018 23 HG23 THR 22 3HG2 THR 22 -6.035 -3.033 -2.324 24 H TYR 23 H TYR 23 -6.829 -5.331 -5.323 25 HA TYR 23 HA TYR 23 -7.964 -4.810 -7.989 26 HB2 TYR 23 2HB TYR 23 -6.556 -6.753 -8.033 27 HB3 TYR 23 3HB TYR 23 -7.315 -7.406 -6.585 28 HD1 TYR 23 HD1 TYR 23 -7.796 -6.734 -10.181 29 HD2 TYR 23 HD2 TYR 23 -9.358 -8.637 -6.711 30 HE1 TYR 23 HE1 TYR 23 -9.389 -7.974 -11.585 31 HE2 TYR 23 HE2 TYR 23 -10.954 -9.884 -8.106 32 HH TYR 23 HH TYR 23 -11.336 -9.203 -11.516 33 H THR 24 H THR 24 -10.138 -5.268 -8.391 34 HA THR 24 HA THR 24 -11.815 -5.326 -5.977 35 HB THR 24 HB THR 24 -12.572 -4.432 -8.765 36 HG1 THR 24 HG1 THR 24 -12.297 -2.722 -6.536 37 HG21 THR 24 1HG2 THR 24 -14.579 -3.553 -7.732 38 HG22 THR 24 2HG2 THR 24 -14.036 -4.097 -6.145 39 HG23 THR 24 3HG2 THR 24 -14.448 -5.277 -7.388 40 H ILE 25 H ILE 25 -12.411 -7.356 -5.525 41 HA ILE 25 HA ILE 25 -12.805 -9.336 -7.572 42 HB ILE 25 HB ILE 25 -13.548 -9.558 -4.657 43 HG12 ILE 25 2HG1 ILE 25 -10.914 -10.206 -6.000 44 HG13 ILE 25 3HG1 ILE 25 -11.195 -8.872 -4.886 45 HG21 ILE 25 1HG2 ILE 25 -14.020 -11.262 -6.773 46 HG22 ILE 25 2HG2 ILE 25 -12.565 -11.922 -6.028 47 HG23 ILE 25 3HG2 ILE 25 -14.025 -11.698 -5.064 48 HD11 ILE 25 1HD1 ILE 25 -10.075 -10.784 -3.833 49 HD12 ILE 25 2HD1 ILE 25 -11.633 -10.420 -3.090 50 HD13 ILE 25 3HD1 ILE 25 -11.480 -11.786 -4.195 51 H GLN 26 H GLN 26 -14.524 -8.922 -8.864 52 HA GLN 26 HA GLN 26 -17.087 -8.211 -7.659 53 HB2 GLN 26 2HB GLN 26 -16.519 -8.536 -10.599 54 HB3 GLN 26 3HB GLN 26 -17.820 -7.629 -9.839 55 HG2 GLN 26 2HG GLN 26 -16.098 -6.087 -8.904 56 HG3 GLN 26 3HG GLN 26 -14.895 -6.937 -9.872 57 HE21 GLN 26 1HE2 GLN 26 -15.522 -4.186 -10.066 58 HE22 GLN 26 2HE2 GLN 26 -16.158 -3.899 -11.646 59 HA PRO 27 HA PRO 27 -19.129 -12.074 -7.863 60 HB2 PRO 27 2HB PRO 27 -21.126 -10.864 -9.706 61 HB3 PRO 27 3HB PRO 27 -21.370 -11.677 -8.155 62 HG2 PRO 27 2HG PRO 27 -21.569 -9.030 -8.342 63 HG3 PRO 27 3HG PRO 27 -20.815 -9.787 -6.927 64 HD2 PRO 27 2HD PRO 27 -19.555 -8.431 -9.263 65 HD3 PRO 27 3HD PRO 27 -19.077 -8.378 -7.554 66 H GLY 28 H GLY 28 -18.115 -13.635 -8.985 67 HA2 GLY 28 2HA GLY 28 -18.435 -15.064 -10.966 68 HA3 GLY 28 3HA GLY 28 -18.394 -13.593 -11.927 69 H ASP 29 H ASP 29 -16.170 -12.663 -10.020 70 HA ASP 29 HA ASP 29 -14.013 -13.726 -11.636 71 HB2 ASP 29 2HB ASP 29 -13.717 -11.769 -9.365 72 HB3 ASP 29 3HB ASP 29 -12.683 -11.971 -10.777 73 H THR 30 H THR 30 -12.782 -15.383 -11.071 74 HA THR 30 HA THR 30 -12.827 -16.284 -8.275 75 HB THR 30 HB THR 30 -11.729 -18.385 -9.392 76 HG1 THR 30 HG1 THR 30 -12.578 -18.608 -11.575 77 HG21 THR 30 1HG2 THR 30 -14.623 -17.582 -9.537 78 HG22 THR 30 2HG2 THR 30 -13.829 -18.634 -8.365 79 HG23 THR 30 3HG2 THR 30 -14.079 -19.188 -10.021 80 H PHE 31 H PHE 31 -10.920 -16.809 -7.186 81 HA PHE 31 HA PHE 31 -8.755 -15.127 -7.496 82 HB2 PHE 31 2HB PHE 31 -9.232 -17.662 -6.018 83 HB3 PHE 31 3HB PHE 31 -7.559 -17.144 -6.201 84 HD1 PHE 31 HD1 PHE 31 -6.845 -16.299 -4.186 85 HD2 PHE 31 HD2 PHE 31 -10.703 -15.227 -5.629 86 HE1 PHE 31 HE1 PHE 31 -7.119 -14.749 -2.294 87 HE2 PHE 31 HE2 PHE 31 -10.982 -13.675 -3.741 88 HZ PHE 31 HZ PHE 31 -9.189 -13.434 -2.070 89 H TRP 32 H TRP 32 -8.851 -18.588 -8.356 90 HA TRP 32 HA TRP 32 -6.367 -18.783 -9.544 91 HB2 TRP 32 2HB TRP 32 -7.668 -20.762 -9.139 92 HB3 TRP 32 3HB TRP 32 -8.945 -20.207 -10.219 93 HD1 TRP 32 HD1 TRP 32 -5.388 -21.656 -10.295 94 HE1 TRP 32 HE1 TRP 32 -4.958 -22.636 -12.636 95 HE3 TRP 32 HE3 TRP 32 -9.646 -20.065 -12.634 96 HZ2 TRP 32 HZ2 TRP 32 -6.253 -22.722 -15.143 97 HZ3 TRP 32 HZ3 TRP 32 -9.974 -20.638 -15.005 98 HH2 TRP 32 HH2 TRP 32 -8.311 -21.938 -16.231 99 H ALA 33 H ALA 33 -9.461 -18.050 -11.153 100 HA ALA 33 HA ALA 33 -8.510 -17.714 -13.735 101 HB1 ALA 33 1HB ALA 33 -10.789 -16.309 -12.351 102 HB2 ALA 33 2HB ALA 33 -10.500 -16.275 -14.091 103 HB3 ALA 33 3HB ALA 33 -10.869 -17.801 -13.288 104 H ILE 34 H ILE 34 -9.027 -15.174 -11.283 105 HA ILE 34 HA ILE 34 -7.989 -13.050 -12.767 106 HB ILE 34 HB ILE 34 -7.944 -13.405 -9.768 107 HG12 ILE 34 2HG1 ILE 34 -9.940 -11.816 -11.365 108 HG13 ILE 34 3HG1 ILE 34 -10.180 -13.532 -11.052 109 HG21 ILE 34 1HG2 ILE 34 -7.310 -11.113 -11.560 110 HG22 ILE 34 2HG2 ILE 34 -8.084 -10.794 -10.008 111 HG23 ILE 34 3HG2 ILE 34 -6.530 -11.625 -10.064 112 HD11 ILE 34 1HD1 ILE 34 -11.165 -11.642 -9.481 113 HD12 ILE 34 2HD1 ILE 34 -10.637 -13.205 -8.859 114 HD13 ILE 34 3HD1 ILE 34 -9.578 -11.801 -8.730 115 H ALA 35 H ALA 35 -6.393 -15.554 -10.946 116 HA ALA 35 HA ALA 35 -3.856 -14.300 -10.725 117 HB1 ALA 35 1HB ALA 35 -4.978 -16.564 -9.696 118 HB2 ALA 35 2HB ALA 35 -3.834 -17.222 -10.866 119 HB3 ALA 35 3HB ALA 35 -3.269 -16.141 -9.593 120 H GLN 36 H GLN 36 -5.077 -16.801 -12.955 121 HA GLN 36 HA GLN 36 -2.758 -16.933 -14.541 122 HB2 GLN 36 2HB GLN 36 -5.597 -17.519 -15.396 123 HB3 GLN 36 3HB GLN 36 -4.128 -18.115 -16.159 124 HG2 GLN 36 2HG GLN 36 -4.880 -18.742 -13.318 125 HG3 GLN 36 3HG GLN 36 -5.340 -19.747 -14.692 126 HE21 GLN 36 1HE2 GLN 36 -3.040 -19.203 -12.351 127 HE22 GLN 36 2HE2 GLN 36 -1.750 -20.140 -13.016 128 H ARG 37 H ARG 37 -5.410 -14.706 -14.483 129 HA ARG 37 HA ARG 37 -4.869 -13.626 -17.107 130 HB2 ARG 37 2HB ARG 37 -6.825 -13.086 -14.927 131 HB3 ARG 37 3HB ARG 37 -6.482 -11.782 -16.056 132 HG2 ARG 37 2HG ARG 37 -7.185 -13.127 -17.914 133 HG3 ARG 37 3HG ARG 37 -7.370 -14.538 -16.872 134 HD2 ARG 37 2HD ARG 37 -9.199 -13.538 -15.716 135 HD3 ARG 37 3HD ARG 37 -8.914 -11.981 -16.494 136 HE ARG 37 HE ARG 37 -10.095 -12.717 -18.309 137 HH11 ARG 37 1HH1 ARG 37 -9.201 -15.454 -16.351 138 HH12 ARG 37 2HH1 ARG 37 -10.148 -16.581 -17.264 139 HH21 ARG 37 1HH2 ARG 37 -11.346 -14.192 -19.518 140 HH22 ARG 37 2HH2 ARG 37 -11.367 -15.863 -19.065 141 H ARG 38 H ARG 38 -4.919 -12.098 -13.881 142 HA ARG 38 HA ARG 38 -3.503 -9.817 -14.556 143 HB2 ARG 38 2HB ARG 38 -3.587 -11.295 -11.921 144 HB3 ARG 38 3HB ARG 38 -2.939 -9.673 -12.126 145 HG2 ARG 38 2HG ARG 38 -5.774 -10.463 -12.756 146 HG3 ARG 38 3HG ARG 38 -5.249 -9.729 -11.240 147 HD2 ARG 38 2HD ARG 38 -5.026 -8.515 -13.992 148 HD3 ARG 38 3HD ARG 38 -6.165 -8.044 -12.731 149 HE ARG 38 HE ARG 38 -3.559 -7.828 -11.721 150 HH11 ARG 38 1HH1 ARG 38 -5.648 -6.321 -14.063 151 HH12 ARG 38 2HH1 ARG 38 -4.889 -4.769 -13.934 152 HH21 ARG 38 1HH2 ARG 38 -2.552 -5.789 -11.543 153 HH22 ARG 38 2HH2 ARG 38 -3.128 -4.468 -12.501 154 H GLY 39 H GLY 39 -2.342 -13.034 -13.865 155 HA2 GLY 39 2HA GLY 39 -0.242 -13.791 -14.712 156 HA3 GLY 39 3HA GLY 39 0.362 -12.145 -14.597 157 H THR 40 H THR 40 -1.443 -13.542 -11.979 158 HA THR 40 HA THR 40 1.058 -13.799 -10.439 159 HB THR 40 HB THR 40 -0.281 -11.845 -9.723 160 HG1 THR 40 HG1 THR 40 0.971 -13.232 -8.222 161 HG21 THR 40 1HG2 THR 40 -2.510 -12.590 -10.239 162 HG22 THR 40 2HG2 THR 40 -2.413 -12.285 -8.505 163 HG23 THR 40 3HG2 THR 40 -2.367 -13.939 -9.113 164 H THR 41 H THR 41 0.724 -15.178 -8.419 165 HA THR 41 HA THR 41 -0.702 -17.616 -9.224 166 HB THR 41 HB THR 41 0.748 -18.546 -7.224 167 HG1 THR 41 HG1 THR 41 2.826 -17.353 -7.325 168 HG21 THR 41 1HG2 THR 41 1.429 -18.038 -10.069 169 HG22 THR 41 2HG2 THR 41 1.245 -19.564 -9.204 170 HG23 THR 41 3HG2 THR 41 2.720 -18.617 -9.016 171 H VAL 42 H VAL 42 -2.137 -18.645 -7.869 172 HA VAL 42 HA VAL 42 -3.774 -17.149 -6.228 173 HB VAL 42 HB VAL 42 -3.284 -20.125 -6.043 174 HG11 VAL 42 1HG1 VAL 42 -4.607 -19.951 -4.243 175 HG12 VAL 42 2HG1 VAL 42 -5.108 -18.309 -4.654 176 HG13 VAL 42 3HG1 VAL 42 -5.906 -19.691 -5.407 177 HG21 VAL 42 1HG2 VAL 42 -4.934 -18.429 -7.860 178 HG22 VAL 42 2HG2 VAL 42 -3.952 -19.847 -8.229 179 HG23 VAL 42 3HG2 VAL 42 -5.507 -20.038 -7.420 180 H ASP 43 H ASP 43 -0.966 -19.106 -5.349 181 HA ASP 43 HA ASP 43 -1.171 -19.073 -2.594 182 HB2 ASP 43 2HB ASP 43 1.206 -19.061 -4.437 183 HB3 ASP 43 3HB ASP 43 1.414 -19.061 -2.688 184 H VAL 44 H VAL 44 0.303 -16.634 -4.712 185 HA VAL 44 HA VAL 44 1.059 -14.898 -2.585 186 HB VAL 44 HB VAL 44 0.679 -14.280 -5.519 187 HG11 VAL 44 1HG1 VAL 44 2.021 -12.730 -3.310 188 HG12 VAL 44 2HG1 VAL 44 2.208 -12.371 -5.027 189 HG13 VAL 44 3HG1 VAL 44 0.622 -12.241 -4.265 190 HG21 VAL 44 1HG2 VAL 44 2.337 -15.982 -5.268 191 HG22 VAL 44 2HG2 VAL 44 3.174 -14.459 -5.567 192 HG23 VAL 44 3HG2 VAL 44 3.101 -15.119 -3.934 193 H ILE 45 H ILE 45 -1.659 -14.934 -4.868 194 HA ILE 45 HA ILE 45 -2.888 -12.558 -4.191 195 HB ILE 45 HB ILE 45 -4.256 -15.161 -4.881 196 HG12 ILE 45 2HG1 ILE 45 -3.596 -12.883 -6.743 197 HG13 ILE 45 3HG1 ILE 45 -2.491 -14.228 -6.484 198 HG21 ILE 45 1HG2 ILE 45 -5.796 -13.545 -3.907 199 HG22 ILE 45 2HG2 ILE 45 -5.255 -12.322 -5.056 200 HG23 ILE 45 3HG2 ILE 45 -6.113 -13.752 -5.630 201 HD11 ILE 45 1HD1 ILE 45 -5.285 -14.880 -7.206 202 HD12 ILE 45 2HD1 ILE 45 -4.248 -14.195 -8.458 203 HD13 ILE 45 3HD1 ILE 45 -3.779 -15.687 -7.642 204 H GLN 46 H GLN 46 -3.091 -15.691 -2.571 205 HA GLN 46 HA GLN 46 -5.014 -14.757 -0.640 206 HB2 GLN 46 2HB GLN 46 -3.500 -17.306 -1.067 207 HB3 GLN 46 3HB GLN 46 -4.300 -17.016 0.472 208 HG2 GLN 46 2HG GLN 46 -5.875 -16.619 -2.010 209 HG3 GLN 46 3HG GLN 46 -5.496 -18.269 -1.518 210 HE21 GLN 46 1HE2 GLN 46 -6.933 -15.249 -0.410 211 HE22 GLN 46 2HE2 GLN 46 -8.034 -15.972 0.708 212 H SER 47 H SER 47 -1.545 -15.448 -0.689 213 HA SER 47 HA SER 47 -0.965 -15.128 2.001 214 HB2 SER 47 2HB SER 47 0.802 -15.912 0.668 215 HB3 SER 47 3HB SER 47 0.629 -14.598 -0.495 216 HG SER 47 HG SER 47 2.285 -13.888 0.651 217 H LEU 48 H LEU 48 -1.479 -12.702 -0.487 218 HA LEU 48 HA LEU 48 -0.620 -10.486 1.089 219 HB2 LEU 48 2HB LEU 48 -1.992 -10.877 -1.507 220 HB3 LEU 48 3HB LEU 48 -2.203 -9.317 -0.715 221 HG LEU 48 HG LEU 48 0.546 -10.417 -1.150 222 HD11 LEU 48 1HD1 LEU 48 -0.445 -8.578 -3.204 223 HD12 LEU 48 2HD1 LEU 48 -1.153 -10.192 -3.261 224 HD13 LEU 48 3HD1 LEU 48 0.597 -9.994 -3.349 225 HD21 LEU 48 1HD2 LEU 48 0.259 -8.452 0.270 226 HD22 LEU 48 2HD2 LEU 48 -0.589 -7.623 -1.036 227 HD23 LEU 48 3HD2 LEU 48 1.115 -8.043 -1.217 228 H ASN 49 H ASN 49 -3.566 -12.277 0.807 229 HA ASN 49 HA ASN 49 -4.772 -10.559 2.847 230 HB2 ASN 49 2HB ASN 49 -6.480 -11.578 0.597 231 HB3 ASN 49 3HB ASN 49 -6.798 -10.258 1.719 232 HD21 ASN 49 1HD2 ASN 49 -4.958 -11.248 -1.086 233 HD22 ASN 49 2HD2 ASN 49 -4.613 -9.655 -1.659 234 HA PRO 50 HA PRO 50 -5.049 -15.091 3.822 235 HB2 PRO 50 2HB PRO 50 -4.192 -14.830 6.385 236 HB3 PRO 50 3HB PRO 50 -3.089 -15.030 5.019 237 HG2 PRO 50 2HG PRO 50 -3.891 -12.529 6.455 238 HG3 PRO 50 3HG PRO 50 -2.284 -13.034 5.901 239 HD2 PRO 50 2HD PRO 50 -3.802 -11.253 4.539 240 HD3 PRO 50 3HD PRO 50 -2.688 -12.374 3.730 241 H GLY 51 H GLY 51 -6.228 -12.151 5.265 242 HA2 GLY 51 2HA GLY 51 -7.926 -13.216 7.231 243 HA3 GLY 51 3HA GLY 51 -8.143 -11.666 6.432 244 H VAL 52 H VAL 52 -8.318 -12.929 3.770 245 HA VAL 52 HA VAL 52 -11.059 -13.982 4.022 246 HB VAL 52 HB VAL 52 -9.865 -12.629 1.602 247 HG11 VAL 52 1HG1 VAL 52 -12.681 -13.418 2.333 248 HG12 VAL 52 2HG1 VAL 52 -12.255 -12.412 0.947 249 HG13 VAL 52 3HG1 VAL 52 -11.690 -14.081 1.033 250 HG21 VAL 52 1HG2 VAL 52 -11.460 -11.508 3.889 251 HG22 VAL 52 2HG2 VAL 52 -9.921 -10.940 3.241 252 HG23 VAL 52 3HG2 VAL 52 -11.402 -10.727 2.308 253 H VAL 53 H VAL 53 -11.712 -15.698 2.681 254 HA VAL 53 HA VAL 53 -9.577 -17.127 1.257 255 HB VAL 53 HB VAL 53 -10.641 -19.281 2.150 256 HG11 VAL 53 1HG1 VAL 53 -8.703 -17.478 3.347 257 HG12 VAL 53 2HG1 VAL 53 -9.428 -18.572 4.527 258 HG13 VAL 53 3HG1 VAL 53 -8.622 -19.222 3.098 259 HG21 VAL 53 1HG2 VAL 53 -11.525 -17.495 4.403 260 HG22 VAL 53 2HG2 VAL 53 -12.615 -18.010 3.116 261 HG23 VAL 53 3HG2 VAL 53 -11.864 -19.210 4.168 262 HA PRO 54 HA PRO 54 -12.524 -17.733 -1.939 263 HB2 PRO 54 2HB PRO 54 -11.774 -20.153 -2.914 264 HB3 PRO 54 3HB PRO 54 -10.829 -18.681 -3.166 265 HG2 PRO 54 2HG PRO 54 -10.428 -20.871 -1.165 266 HG3 PRO 54 3HG PRO 54 -9.224 -20.026 -2.155 267 HD2 PRO 54 2HD PRO 54 -9.652 -19.420 0.449 268 HD3 PRO 54 3HD PRO 54 -9.159 -18.203 -0.746 269 H THR 55 H THR 55 -12.146 -20.307 0.428 270 HA THR 55 HA THR 55 -14.279 -21.948 -0.230 271 HB THR 55 HB THR 55 -13.593 -21.309 2.631 272 HG1 THR 55 HG1 THR 55 -11.725 -22.365 2.426 273 HG21 THR 55 1HG2 THR 55 -14.120 -24.007 1.432 274 HG22 THR 55 2HG2 THR 55 -15.453 -22.943 1.879 275 HG23 THR 55 3HG2 THR 55 -14.304 -23.478 3.104 276 H ARG 56 H ARG 56 -14.256 -18.970 1.679 277 HA ARG 56 HA ARG 56 -17.189 -18.900 1.450 278 HB2 ARG 56 2HB ARG 56 -17.182 -17.724 3.692 279 HB3 ARG 56 3HB ARG 56 -16.811 -19.442 3.727 280 HG2 ARG 56 2HG ARG 56 -14.470 -18.990 3.992 281 HG3 ARG 56 3HG ARG 56 -14.740 -17.260 3.773 282 HD2 ARG 56 2HD ARG 56 -16.168 -17.286 5.807 283 HD3 ARG 56 3HD ARG 56 -15.727 -18.977 6.046 284 HE ARG 56 HE ARG 56 -13.370 -17.506 5.831 285 HH11 ARG 56 1HH1 ARG 56 -16.101 -17.787 7.973 286 HH12 ARG 56 2HH1 ARG 56 -15.208 -17.323 9.383 287 HH21 ARG 56 1HH2 ARG 56 -12.184 -16.894 7.681 288 HH22 ARG 56 2HH2 ARG 56 -12.981 -16.814 9.216 289 H LEU 57 H LEU 57 -15.317 -17.699 -0.310 290 HA LEU 57 HA LEU 57 -14.698 -15.039 0.223 291 HB2 LEU 57 2HB LEU 57 -14.614 -14.738 -2.201 292 HB3 LEU 57 3HB LEU 57 -13.807 -16.219 -1.691 293 HG LEU 57 HG LEU 57 -16.123 -17.307 -2.307 294 HD11 LEU 57 1HD1 LEU 57 -16.737 -15.954 -4.527 295 HD12 LEU 57 2HD1 LEU 57 -16.239 -14.607 -3.504 296 HD13 LEU 57 3HD1 LEU 57 -17.539 -15.678 -2.981 297 HD21 LEU 57 1HD2 LEU 57 -15.263 -17.690 -4.587 298 HD22 LEU 57 2HD2 LEU 57 -14.022 -17.890 -3.350 299 HD23 LEU 57 3HD2 LEU 57 -14.065 -16.422 -4.327 300 H GLN 58 H GLN 58 -15.702 -13.103 -0.795 301 HA GLN 58 HA GLN 58 -18.634 -13.295 -0.909 302 HB2 GLN 58 2HB GLN 58 -17.108 -11.082 0.471 303 HB3 GLN 58 3HB GLN 58 -18.856 -11.257 0.382 304 HG2 GLN 58 2HG GLN 58 -18.483 -12.065 2.473 305 HG3 GLN 58 3HG GLN 58 -18.356 -13.558 1.545 306 HE21 GLN 58 1HE2 GLN 58 -17.235 -13.725 3.874 307 HE22 GLN 58 2HE2 GLN 58 -15.515 -13.590 3.804 308 H VAL 59 H VAL 59 -19.160 -12.793 -2.931 309 HA VAL 59 HA VAL 59 -17.619 -11.423 -4.781 310 HB VAL 59 HB VAL 59 -19.621 -11.179 -6.129 311 HG11 VAL 59 1HG1 VAL 59 -20.055 -13.428 -6.455 312 HG12 VAL 59 2HG1 VAL 59 -18.511 -13.468 -5.600 313 HG13 VAL 59 3HG1 VAL 59 -20.011 -13.793 -4.730 314 HG21 VAL 59 1HG2 VAL 59 -21.022 -11.681 -3.527 315 HG22 VAL 59 2HG2 VAL 59 -21.280 -10.385 -4.696 316 HG23 VAL 59 3HG2 VAL 59 -21.810 -12.026 -5.067 317 H GLY 60 H GLY 60 -17.315 -9.327 -5.327 318 HA2 GLY 60 2HA GLY 60 -17.723 -7.028 -5.391 319 HA3 GLY 60 3HA GLY 60 -19.049 -7.255 -4.261 320 H GLN 61 H GLN 61 -15.636 -8.191 -3.984 321 HA GLN 61 HA GLN 61 -15.370 -6.304 -1.746 322 HB2 GLN 61 2HB GLN 61 -15.706 -8.909 -1.252 323 HB3 GLN 61 3HB GLN 61 -13.972 -8.921 -1.546 324 HG2 GLN 61 2HG GLN 61 -14.845 -6.790 0.247 325 HG3 GLN 61 3HG GLN 61 -15.176 -8.414 0.848 326 HE21 GLN 61 1HE2 GLN 61 -13.134 -9.899 0.121 327 HE22 GLN 61 2HE2 GLN 61 -11.638 -9.293 0.737 328 H VAL 62 H VAL 62 -13.488 -5.203 -1.660 329 HA VAL 62 HA VAL 62 -11.625 -5.590 -3.869 330 HB VAL 62 HB VAL 62 -12.475 -3.319 -3.377 331 HG11 VAL 62 1HG1 VAL 62 -12.484 -3.734 -0.862 332 HG12 VAL 62 2HG1 VAL 62 -10.763 -3.349 -0.909 333 HG13 VAL 62 3HG1 VAL 62 -11.951 -2.146 -1.413 334 HG21 VAL 62 1HG2 VAL 62 -10.106 -2.266 -3.160 335 HG22 VAL 62 2HG2 VAL 62 -9.552 -3.938 -3.253 336 HG23 VAL 62 3HG2 VAL 62 -10.497 -3.248 -4.573 337 H ILE 63 H ILE 63 -9.593 -6.327 -3.666 338 HA ILE 63 HA ILE 63 -8.529 -6.731 -0.950 339 HB ILE 63 HB ILE 63 -7.484 -8.832 -1.723 340 HG12 ILE 63 2HG1 ILE 63 -9.320 -8.920 -4.071 341 HG13 ILE 63 3HG1 ILE 63 -7.834 -7.990 -4.223 342 HG21 ILE 63 1HG2 ILE 63 -9.621 -10.160 -1.844 343 HG22 ILE 63 2HG2 ILE 63 -9.487 -9.055 -0.478 344 HG23 ILE 63 3HG2 ILE 63 -10.481 -8.621 -1.868 345 HD11 ILE 63 1HD1 ILE 63 -8.146 -10.703 -4.640 346 HD12 ILE 63 2HD1 ILE 63 -6.623 -9.826 -4.485 347 HD13 ILE 63 3HD1 ILE 63 -7.347 -10.593 -3.072 348 H ASN 64 H ASN 64 -6.068 -7.520 -1.301 349 HA ASN 64 HA ASN 64 -4.832 -5.354 -2.845 350 HB2 ASN 64 2HB ASN 64 -4.063 -6.871 -0.393 351 HB3 ASN 64 3HB ASN 64 -2.774 -6.237 -1.413 352 HD21 ASN 64 1HD2 ASN 64 -5.406 -5.460 0.699 353 HD22 ASN 64 2HD2 ASN 64 -5.034 -3.783 0.884 354 H VAL 65 H VAL 65 -3.327 -5.722 -4.413 355 HA VAL 65 HA VAL 65 -2.455 -8.467 -4.923 356 HB VAL 65 HB VAL 65 -2.907 -8.043 -7.410 357 HG11 VAL 65 1HG1 VAL 65 -4.233 -9.462 -5.601 358 HG12 VAL 65 2HG1 VAL 65 -5.503 -8.302 -5.997 359 HG13 VAL 65 3HG1 VAL 65 -4.796 -9.304 -7.265 360 HG21 VAL 65 1HG2 VAL 65 -3.464 -5.594 -6.943 361 HG22 VAL 65 2HG2 VAL 65 -4.527 -6.469 -8.046 362 HG23 VAL 65 3HG2 VAL 65 -5.028 -6.183 -6.379 363 HA PRO 66 HA PRO 66 1.396 -6.624 -5.946 364 HB2 PRO 66 2HB PRO 66 2.331 -8.337 -7.833 365 HB3 PRO 66 3HB PRO 66 2.240 -8.754 -6.118 366 HG2 PRO 66 2HG PRO 66 0.363 -9.460 -8.341 367 HG3 PRO 66 3HG PRO 66 0.969 -10.479 -7.022 368 HD2 PRO 66 2HD PRO 66 -1.490 -9.346 -6.976 369 HD3 PRO 66 3HD PRO 66 -0.541 -9.628 -5.503 370 H CYS 67 H CYS 67 1.467 -4.736 -6.997 371 HA CYS 67 HA CYS 67 0.221 -4.348 -9.555 372 HB2 CYS 67 2HB CYS 67 0.613 -2.656 -7.567 373 HB3 CYS 67 3HB CYS 67 2.140 -2.370 -8.395 Start of MODEL 8 1 H1 MET 19 H MET 19 4.023 1.095 -5.913 2 HA MET 19 HA MET 19 5.177 -0.073 -3.558 3 HB2 MET 19 2HB MET 19 3.080 1.952 -4.144 4 HB3 MET 19 3HB MET 19 3.005 1.144 -2.584 5 HG2 MET 19 2HG MET 19 5.487 1.786 -2.375 6 HG3 MET 19 3HG MET 19 5.146 2.916 -3.684 7 HE1 MET 19 1HE MET 19 5.352 5.026 -3.004 8 HE2 MET 19 2HE MET 19 4.621 5.858 -1.631 9 HE3 MET 19 3HE MET 19 6.036 4.833 -1.389 10 H GLY 20 H GLY 20 1.776 0.006 -4.649 11 HA2 GLY 20 2HA GLY 20 1.386 -2.779 -4.572 12 HA3 GLY 20 3HA GLY 20 0.930 -2.108 -3.013 13 H CYS 21 H CYS 21 -0.473 -3.263 -5.561 14 HA CYS 21 HA CYS 21 -2.489 -1.127 -5.786 15 HB2 CYS 21 2HB CYS 21 -1.534 -3.207 -7.726 16 HB3 CYS 21 3HB CYS 21 -3.151 -2.529 -7.886 17 H THR 22 H THR 22 -4.734 -1.995 -6.255 18 HA THR 22 HA THR 22 -5.248 -4.472 -4.750 19 HB THR 22 HB THR 22 -7.378 -3.306 -3.924 20 HG1 THR 22 HG1 THR 22 -5.825 -0.979 -4.464 21 HG21 THR 22 1HG2 THR 22 -4.822 -3.523 -2.847 22 HG22 THR 22 2HG2 THR 22 -6.309 -3.168 -1.967 23 HG23 THR 22 3HG2 THR 22 -5.288 -1.850 -2.543 24 H TYR 23 H TYR 23 -7.133 -5.617 -5.335 25 HA TYR 23 HA TYR 23 -8.295 -4.807 -7.920 26 HB2 TYR 23 2HB TYR 23 -6.884 -6.697 -8.329 27 HB3 TYR 23 3HB TYR 23 -7.536 -7.561 -6.940 28 HD1 TYR 23 HD1 TYR 23 -9.591 -8.780 -7.092 29 HD2 TYR 23 HD2 TYR 23 -8.241 -6.436 -10.376 30 HE1 TYR 23 HE1 TYR 23 -11.264 -9.855 -8.539 31 HE2 TYR 23 HE2 TYR 23 -9.911 -7.503 -11.832 32 HH TYR 23 HH TYR 23 -11.276 -10.177 -11.412 33 H THR 24 H THR 24 -10.485 -5.230 -8.264 34 HA THR 24 HA THR 24 -12.030 -5.604 -5.796 35 HB THR 24 HB THR 24 -13.290 -4.694 -8.351 36 HG1 THR 24 HG1 THR 24 -12.323 -2.799 -8.285 37 HG21 THR 24 1HG2 THR 24 -13.742 -4.288 -5.411 38 HG22 THR 24 2HG2 THR 24 -14.843 -4.946 -6.620 39 HG23 THR 24 3HG2 THR 24 -14.479 -3.221 -6.605 40 H ILE 25 H ILE 25 -12.638 -7.646 -5.483 41 HA ILE 25 HA ILE 25 -13.021 -9.486 -7.659 42 HB ILE 25 HB ILE 25 -13.742 -9.920 -4.762 43 HG12 ILE 25 2HG1 ILE 25 -11.105 -10.416 -6.161 44 HG13 ILE 25 3HG1 ILE 25 -11.406 -9.185 -4.940 45 HG21 ILE 25 1HG2 ILE 25 -14.499 -11.486 -6.687 46 HG22 ILE 25 2HG2 ILE 25 -12.817 -12.012 -6.685 47 HG23 ILE 25 3HG2 ILE 25 -13.796 -12.185 -5.229 48 HD11 ILE 25 1HD1 ILE 25 -11.797 -10.878 -3.274 49 HD12 ILE 25 2HD1 ILE 25 -11.633 -12.149 -4.486 50 HD13 ILE 25 3HD1 ILE 25 -10.241 -11.156 -4.056 51 H GLN 26 H GLN 26 -14.755 -9.007 -8.908 52 HA GLN 26 HA GLN 26 -17.324 -8.452 -7.628 53 HB2 GLN 26 2HB GLN 26 -16.765 -8.460 -10.588 54 HB3 GLN 26 3HB GLN 26 -18.081 -7.664 -9.734 55 HG2 GLN 26 2HG GLN 26 -16.411 -6.173 -8.665 56 HG3 GLN 26 3HG GLN 26 -15.169 -6.913 -9.673 57 HE21 GLN 26 1HE2 GLN 26 -16.580 -4.174 -9.437 58 HE22 GLN 26 2HE2 GLN 26 -16.906 -3.764 -11.083 59 HA PRO 27 HA PRO 27 -19.280 -12.319 -8.226 60 HB2 PRO 27 2HB PRO 27 -21.319 -10.972 -9.919 61 HB3 PRO 27 3HB PRO 27 -21.531 -11.942 -8.457 62 HG2 PRO 27 2HG PRO 27 -21.787 -9.292 -8.377 63 HG3 PRO 27 3HG PRO 27 -21.012 -10.175 -7.049 64 HD2 PRO 27 2HD PRO 27 -19.795 -8.561 -9.242 65 HD3 PRO 27 3HD PRO 27 -19.310 -8.671 -7.537 66 H GLY 28 H GLY 28 -17.844 -13.436 -9.542 67 HA2 GLY 28 2HA GLY 28 -18.340 -14.731 -11.700 68 HA3 GLY 28 3HA GLY 28 -18.216 -13.148 -12.452 69 H ASP 29 H ASP 29 -16.053 -12.560 -10.345 70 HA ASP 29 HA ASP 29 -13.865 -13.633 -11.957 71 HB2 ASP 29 2HB ASP 29 -13.491 -11.661 -9.729 72 HB3 ASP 29 3HB ASP 29 -12.562 -11.851 -11.213 73 H THR 30 H THR 30 -12.775 -15.353 -11.305 74 HA THR 30 HA THR 30 -12.939 -16.164 -8.493 75 HB THR 30 HB THR 30 -11.573 -18.129 -10.014 76 HG1 THR 30 HG1 THR 30 -12.516 -18.070 -11.899 77 HG21 THR 30 1HG2 THR 30 -14.467 -18.196 -9.185 78 HG22 THR 30 2HG2 THR 30 -13.144 -18.347 -8.030 79 HG23 THR 30 3HG2 THR 30 -13.337 -19.543 -9.312 80 H PHE 31 H PHE 31 -11.038 -16.940 -7.398 81 HA PHE 31 HA PHE 31 -8.886 -15.213 -7.434 82 HB2 PHE 31 2HB PHE 31 -9.380 -17.908 -6.283 83 HB3 PHE 31 3HB PHE 31 -7.707 -17.363 -6.351 84 HD1 PHE 31 HD1 PHE 31 -10.888 -15.552 -5.651 85 HD2 PHE 31 HD2 PHE 31 -7.058 -16.749 -4.233 86 HE1 PHE 31 HE1 PHE 31 -11.239 -14.235 -3.602 87 HE2 PHE 31 HE2 PHE 31 -7.403 -15.436 -2.182 88 HZ PHE 31 HZ PHE 31 -9.496 -14.177 -1.864 89 H TRP 32 H TRP 32 -8.888 -18.557 -8.680 90 HA TRP 32 HA TRP 32 -6.364 -18.529 -9.826 91 HB2 TRP 32 2HB TRP 32 -7.564 -20.599 -9.614 92 HB3 TRP 32 3HB TRP 32 -8.861 -20.017 -10.654 93 HD1 TRP 32 HD1 TRP 32 -5.103 -20.932 -10.909 94 HE1 TRP 32 HE1 TRP 32 -4.660 -21.809 -13.288 95 HE3 TRP 32 HE3 TRP 32 -9.736 -20.169 -12.930 96 HZ2 TRP 32 HZ2 TRP 32 -6.087 -22.134 -15.702 97 HZ3 TRP 32 HZ3 TRP 32 -10.114 -20.789 -15.281 98 HH2 TRP 32 HH2 TRP 32 -8.326 -21.751 -16.637 99 H ALA 33 H ALA 33 -9.478 -17.677 -11.314 100 HA ALA 33 HA ALA 33 -8.570 -17.130 -13.886 101 HB1 ALA 33 1HB ALA 33 -10.977 -16.810 -12.436 102 HB2 ALA 33 2HB ALA 33 -10.625 -15.272 -13.226 103 HB3 ALA 33 3HB ALA 33 -10.734 -16.750 -14.182 104 H ILE 34 H ILE 34 -8.640 -15.072 -11.017 105 HA ILE 34 HA ILE 34 -7.731 -12.734 -12.406 106 HB ILE 34 HB ILE 34 -7.785 -13.325 -9.444 107 HG12 ILE 34 2HG1 ILE 34 -9.680 -11.518 -10.912 108 HG13 ILE 34 3HG1 ILE 34 -9.972 -13.253 -10.862 109 HG21 ILE 34 1HG2 ILE 34 -7.852 -10.696 -9.485 110 HG22 ILE 34 2HG2 ILE 34 -6.321 -11.569 -9.538 111 HG23 ILE 34 3HG2 ILE 34 -7.019 -10.922 -11.023 112 HD11 ILE 34 1HD1 ILE 34 -9.668 -11.482 -8.450 113 HD12 ILE 34 2HD1 ILE 34 -11.200 -12.033 -9.128 114 HD13 ILE 34 3HD1 ILE 34 -10.065 -13.200 -8.451 115 H ALA 35 H ALA 35 -6.232 -15.442 -10.849 116 HA ALA 35 HA ALA 35 -3.678 -14.256 -10.419 117 HB1 ALA 35 1HB ALA 35 -4.908 -16.671 -9.766 118 HB2 ALA 35 2HB ALA 35 -3.548 -17.110 -10.799 119 HB3 ALA 35 3HB ALA 35 -3.276 -16.157 -9.341 120 H GLN 36 H GLN 36 -4.868 -16.541 -12.886 121 HA GLN 36 HA GLN 36 -2.524 -16.583 -14.424 122 HB2 GLN 36 2HB GLN 36 -3.938 -17.489 -16.221 123 HB3 GLN 36 3HB GLN 36 -4.263 -18.267 -14.678 124 HG2 GLN 36 2HG GLN 36 -6.392 -17.937 -15.373 125 HG3 GLN 36 3HG GLN 36 -6.131 -16.404 -14.542 126 HE21 GLN 36 1HE2 GLN 36 -7.484 -15.154 -15.718 127 HE22 GLN 36 2HE2 GLN 36 -7.279 -14.821 -17.401 128 H ARG 37 H ARG 37 -5.100 -14.277 -14.222 129 HA ARG 37 HA ARG 37 -4.434 -12.969 -16.712 130 HB2 ARG 37 2HB ARG 37 -6.757 -13.090 -15.605 131 HB3 ARG 37 3HB ARG 37 -6.170 -11.821 -14.540 132 HG2 ARG 37 2HG ARG 37 -7.243 -10.616 -16.176 133 HG3 ARG 37 3HG ARG 37 -5.574 -10.598 -16.751 134 HD2 ARG 37 2HD ARG 37 -6.692 -11.179 -18.672 135 HD3 ARG 37 3HD ARG 37 -6.304 -12.768 -18.015 136 HE ARG 37 HE ARG 37 -8.759 -12.199 -16.983 137 HH11 ARG 37 1HH1 ARG 37 -7.422 -12.321 -20.195 138 HH12 ARG 37 2HH1 ARG 37 -8.916 -12.783 -20.940 139 HH21 ARG 37 1HH2 ARG 37 -10.732 -12.807 -17.952 140 HH22 ARG 37 2HH2 ARG 37 -10.799 -13.059 -19.664 141 H ARG 38 H ARG 38 -4.470 -11.882 -13.310 142 HA ARG 38 HA ARG 38 -3.021 -9.539 -13.694 143 HB2 ARG 38 2HB ARG 38 -3.280 -11.336 -11.284 144 HB3 ARG 38 3HB ARG 38 -2.433 -9.795 -11.236 145 HG2 ARG 38 2HG ARG 38 -5.150 -9.704 -12.354 146 HG3 ARG 38 3HG ARG 38 -5.040 -10.113 -10.641 147 HD2 ARG 38 2HD ARG 38 -5.273 -7.718 -10.910 148 HD3 ARG 38 3HD ARG 38 -3.676 -8.102 -10.269 149 HE ARG 38 HE ARG 38 -2.758 -7.188 -12.147 150 HH11 ARG 38 1HH1 ARG 38 -6.097 -7.941 -12.787 151 HH12 ARG 38 2HH1 ARG 38 -6.101 -7.193 -14.350 152 HH21 ARG 38 1HH2 ARG 38 -2.752 -6.200 -14.203 153 HH22 ARG 38 2HH2 ARG 38 -4.198 -6.204 -15.154 154 H GLY 39 H GLY 39 -1.950 -12.833 -13.521 155 HA2 GLY 39 2HA GLY 39 0.144 -13.540 -14.373 156 HA3 GLY 39 3HA GLY 39 0.781 -11.929 -14.075 157 H THR 40 H THR 40 -1.031 -13.840 -11.745 158 HA THR 40 HA THR 40 1.441 -14.358 -10.248 159 HB THR 40 HB THR 40 0.370 -12.287 -9.353 160 HG1 THR 40 HG1 THR 40 1.602 -13.742 -8.006 161 HG21 THR 40 1HG2 THR 40 -1.717 -12.439 -8.137 162 HG22 THR 40 2HG2 THR 40 -1.847 -14.158 -8.512 163 HG23 THR 40 3HG2 THR 40 -1.973 -12.962 -9.801 164 H THR 41 H THR 41 0.870 -15.775 -8.250 165 HA THR 41 HA THR 41 -0.815 -17.968 -9.237 166 HB THR 41 HB THR 41 0.386 -19.353 -7.526 167 HG1 THR 41 HG1 THR 41 1.444 -18.220 -6.085 168 HG21 THR 41 1HG2 THR 41 2.558 -18.186 -9.158 169 HG22 THR 41 2HG2 THR 41 1.132 -18.736 -10.038 170 HG23 THR 41 3HG2 THR 41 2.023 -19.860 -9.011 171 H VAL 42 H VAL 42 -2.280 -19.033 -7.850 172 HA VAL 42 HA VAL 42 -3.926 -17.446 -6.307 173 HB VAL 42 HB VAL 42 -3.520 -20.428 -6.038 174 HG11 VAL 42 1HG1 VAL 42 -6.065 -20.113 -5.380 175 HG12 VAL 42 2HG1 VAL 42 -4.774 -19.994 -4.182 176 HG13 VAL 42 3HG1 VAL 42 -5.482 -18.530 -4.866 177 HG21 VAL 42 1HG2 VAL 42 -4.647 -18.813 -8.126 178 HG22 VAL 42 2HG2 VAL 42 -4.424 -20.561 -8.065 179 HG23 VAL 42 3HG2 VAL 42 -5.893 -19.836 -7.412 180 H ASP 43 H ASP 43 -1.240 -19.500 -5.259 181 HA ASP 43 HA ASP 43 -1.551 -19.284 -2.508 182 HB2 ASP 43 2HB ASP 43 0.783 -19.757 -4.311 183 HB3 ASP 43 3HB ASP 43 1.091 -19.437 -2.606 184 H VAL 44 H VAL 44 0.136 -17.127 -4.755 185 HA VAL 44 HA VAL 44 1.113 -15.351 -2.770 186 HB VAL 44 HB VAL 44 0.605 -14.839 -5.704 187 HG11 VAL 44 1HG1 VAL 44 0.767 -12.759 -4.472 188 HG12 VAL 44 2HG1 VAL 44 2.257 -13.305 -3.699 189 HG13 VAL 44 3HG1 VAL 44 2.222 -13.003 -5.437 190 HG21 VAL 44 1HG2 VAL 44 3.255 -15.422 -4.422 191 HG22 VAL 44 2HG2 VAL 44 2.207 -16.716 -5.003 192 HG23 VAL 44 3HG2 VAL 44 2.810 -15.498 -6.127 193 H ILE 45 H ILE 45 -1.694 -15.202 -4.948 194 HA ILE 45 HA ILE 45 -2.693 -12.727 -4.255 195 HB ILE 45 HB ILE 45 -4.302 -15.209 -4.868 196 HG12 ILE 45 2HG1 ILE 45 -3.350 -13.011 -6.716 197 HG13 ILE 45 3HG1 ILE 45 -2.599 -14.598 -6.583 198 HG21 ILE 45 1HG2 ILE 45 -6.108 -13.967 -4.532 199 HG22 ILE 45 2HG2 ILE 45 -5.108 -12.572 -4.130 200 HG23 ILE 45 3HG2 ILE 45 -5.569 -12.873 -5.805 201 HD11 ILE 45 1HD1 ILE 45 -5.496 -14.313 -7.271 202 HD12 ILE 45 2HD1 ILE 45 -4.238 -14.179 -8.500 203 HD13 ILE 45 3HD1 ILE 45 -4.408 -15.668 -7.571 204 H GLN 46 H GLN 46 -3.401 -15.854 -2.711 205 HA GLN 46 HA GLN 46 -5.089 -14.754 -0.710 206 HB2 GLN 46 2HB GLN 46 -3.664 -17.390 -0.989 207 HB3 GLN 46 3HB GLN 46 -4.620 -17.000 0.434 208 HG2 GLN 46 2HG GLN 46 -6.608 -16.798 -0.871 209 HG3 GLN 46 3HG GLN 46 -5.696 -16.944 -2.372 210 HE21 GLN 46 1HE2 GLN 46 -5.562 -18.788 0.647 211 HE22 GLN 46 2HE2 GLN 46 -5.895 -20.323 -0.072 212 H SER 47 H SER 47 -1.666 -15.643 -0.792 213 HA SER 47 HA SER 47 -1.024 -15.313 1.880 214 HB2 SER 47 2HB SER 47 0.512 -16.178 0.105 215 HB3 SER 47 3HB SER 47 0.730 -14.521 -0.456 216 HG SER 47 HG SER 47 2.047 -14.171 1.144 217 H LEU 48 H LEU 48 -1.308 -12.881 -0.664 218 HA LEU 48 HA LEU 48 -0.369 -10.705 0.897 219 HB2 LEU 48 2HB LEU 48 -2.076 -10.821 -1.580 220 HB3 LEU 48 3HB LEU 48 -1.508 -9.317 -0.859 221 HG LEU 48 HG LEU 48 0.303 -11.492 -1.900 222 HD11 LEU 48 1HD1 LEU 48 -1.012 -10.517 -3.713 223 HD12 LEU 48 2HD1 LEU 48 0.681 -10.036 -3.815 224 HD13 LEU 48 3HD1 LEU 48 -0.522 -8.901 -3.203 225 HD21 LEU 48 1HD2 LEU 48 1.408 -10.183 -0.242 226 HD22 LEU 48 2HD2 LEU 48 0.785 -8.682 -0.927 227 HD23 LEU 48 3HD2 LEU 48 1.976 -9.631 -1.818 228 H ASN 49 H ASN 49 -3.403 -12.337 0.661 229 HA ASN 49 HA ASN 49 -4.576 -10.359 2.499 230 HB2 ASN 49 2HB ASN 49 -6.097 -11.894 0.381 231 HB3 ASN 49 3HB ASN 49 -6.751 -10.675 1.471 232 HD21 ASN 49 1HD2 ASN 49 -4.651 -11.238 -1.265 233 HD22 ASN 49 2HD2 ASN 49 -4.655 -9.611 -1.847 234 HA PRO 50 HA PRO 50 -4.535 -14.587 4.421 235 HB2 PRO 50 2HB PRO 50 -3.626 -13.735 6.833 236 HB3 PRO 50 3HB PRO 50 -2.550 -14.159 5.496 237 HG2 PRO 50 2HG PRO 50 -3.472 -11.459 6.403 238 HG3 PRO 50 3HG PRO 50 -1.852 -11.979 5.903 239 HD2 PRO 50 2HD PRO 50 -3.519 -10.619 4.258 240 HD3 PRO 50 3HD PRO 50 -2.357 -11.821 3.660 241 H GLY 51 H GLY 51 -5.959 -11.522 5.103 242 HA2 GLY 51 2HA GLY 51 -7.519 -12.268 7.360 243 HA3 GLY 51 3HA GLY 51 -7.809 -10.887 6.312 244 H VAL 52 H VAL 52 -7.929 -12.693 3.933 245 HA VAL 52 HA VAL 52 -10.671 -13.669 4.383 246 HB VAL 52 HB VAL 52 -10.907 -13.487 1.887 247 HG11 VAL 52 1HG1 VAL 52 -10.469 -10.749 2.287 248 HG12 VAL 52 2HG1 VAL 52 -11.975 -11.641 2.511 249 HG13 VAL 52 3HG1 VAL 52 -10.875 -11.409 3.871 250 HG21 VAL 52 1HG2 VAL 52 -8.229 -13.306 1.814 251 HG22 VAL 52 2HG2 VAL 52 -9.277 -12.685 0.538 252 HG23 VAL 52 3HG2 VAL 52 -8.645 -11.592 1.771 253 H VAL 53 H VAL 53 -11.329 -15.628 3.370 254 HA VAL 53 HA VAL 53 -9.151 -17.388 2.478 255 HB VAL 53 HB VAL 53 -10.366 -19.260 3.739 256 HG11 VAL 53 1HG1 VAL 53 -9.184 -18.681 5.875 257 HG12 VAL 53 2HG1 VAL 53 -8.188 -18.577 4.421 258 HG13 VAL 53 3HG1 VAL 53 -8.817 -17.108 5.167 259 HG21 VAL 53 1HG2 VAL 53 -11.387 -16.937 5.366 260 HG22 VAL 53 2HG2 VAL 53 -12.376 -17.869 4.241 261 HG23 VAL 53 3HG2 VAL 53 -11.672 -18.653 5.655 262 HA PRO 54 HA PRO 54 -11.869 -18.637 -0.735 263 HB2 PRO 54 2HB PRO 54 -11.146 -21.231 -1.078 264 HB3 PRO 54 3HB PRO 54 -10.125 -19.876 -1.573 265 HG2 PRO 54 2HG PRO 54 -9.966 -21.564 0.894 266 HG3 PRO 54 3HG PRO 54 -8.657 -20.992 -0.157 267 HD2 PRO 54 2HD PRO 54 -9.257 -19.803 2.200 268 HD3 PRO 54 3HD PRO 54 -8.626 -18.900 0.809 269 H THR 55 H THR 55 -11.834 -20.473 2.238 270 HA THR 55 HA THR 55 -13.945 -22.235 1.785 271 HB THR 55 HB THR 55 -14.192 -22.393 4.189 272 HG1 THR 55 HG1 THR 55 -12.868 -20.875 5.478 273 HG21 THR 55 1HG2 THR 55 -12.234 -23.478 3.241 274 HG22 THR 55 2HG2 THR 55 -11.851 -22.830 4.836 275 HG23 THR 55 3HG2 THR 55 -11.309 -21.984 3.387 276 H ARG 56 H ARG 56 -13.971 -18.868 2.856 277 HA ARG 56 HA ARG 56 -16.898 -18.863 2.511 278 HB2 ARG 56 2HB ARG 56 -16.849 -16.913 4.148 279 HB3 ARG 56 3HB ARG 56 -16.543 -18.511 4.817 280 HG2 ARG 56 2HG ARG 56 -14.217 -18.088 4.992 281 HG3 ARG 56 3HG ARG 56 -14.351 -16.607 4.041 282 HD2 ARG 56 2HD ARG 56 -15.589 -17.074 6.752 283 HD3 ARG 56 3HD ARG 56 -14.122 -16.148 6.443 284 HE ARG 56 HE ARG 56 -16.261 -15.129 4.904 285 HH11 ARG 56 1HH1 ARG 56 -15.070 -15.264 8.173 286 HH12 ARG 56 2HH1 ARG 56 -15.815 -13.773 8.644 287 HH21 ARG 56 1HH2 ARG 56 -17.246 -13.164 5.513 288 HH22 ARG 56 2HH2 ARG 56 -17.053 -12.579 7.131 289 H LEU 57 H LEU 57 -16.184 -18.413 0.233 290 HA LEU 57 HA LEU 57 -15.084 -15.797 -0.296 291 HB2 LEU 57 2HB LEU 57 -14.576 -17.727 -1.729 292 HB3 LEU 57 3HB LEU 57 -16.277 -17.830 -2.177 293 HG LEU 57 HG LEU 57 -15.912 -15.392 -3.031 294 HD11 LEU 57 1HD1 LEU 57 -13.623 -15.260 -2.036 295 HD12 LEU 57 2HD1 LEU 57 -13.703 -14.874 -3.755 296 HD13 LEU 57 3HD1 LEU 57 -13.099 -16.446 -3.232 297 HD21 LEU 57 1HD2 LEU 57 -16.512 -17.014 -4.593 298 HD22 LEU 57 2HD2 LEU 57 -15.035 -17.944 -4.338 299 HD23 LEU 57 3HD2 LEU 57 -14.971 -16.405 -5.199 300 H GLN 58 H GLN 58 -16.151 -14.006 -1.009 301 HA GLN 58 HA GLN 58 -19.051 -14.184 -1.408 302 HB2 GLN 58 2HB GLN 58 -18.227 -13.401 0.973 303 HB3 GLN 58 3HB GLN 58 -17.963 -11.873 0.143 304 HG2 GLN 58 2HG GLN 58 -20.190 -11.503 -0.187 305 HG3 GLN 58 3HG GLN 58 -20.589 -13.220 -0.185 306 HE21 GLN 58 1HE2 GLN 58 -19.473 -10.612 1.925 307 HE22 GLN 58 2HE2 GLN 58 -20.272 -11.182 3.347 308 H VAL 59 H VAL 59 -19.569 -13.294 -3.283 309 HA VAL 59 HA VAL 59 -17.768 -11.879 -4.904 310 HB VAL 59 HB VAL 59 -19.626 -11.459 -6.394 311 HG11 VAL 59 1HG1 VAL 59 -20.033 -14.170 -5.145 312 HG12 VAL 59 2HG1 VAL 59 -20.310 -13.703 -6.825 313 HG13 VAL 59 3HG1 VAL 59 -18.667 -13.764 -6.184 314 HG21 VAL 59 1HG2 VAL 59 -21.935 -12.246 -5.637 315 HG22 VAL 59 2HG2 VAL 59 -21.299 -12.145 -3.996 316 HG23 VAL 59 3HG2 VAL 59 -21.360 -10.702 -5.008 317 H GLY 60 H GLY 60 -17.499 -9.725 -5.363 318 HA2 GLY 60 2HA GLY 60 -17.890 -7.426 -5.227 319 HA3 GLY 60 3HA GLY 60 -19.211 -7.740 -4.112 320 H GLN 61 H GLN 61 -15.780 -8.660 -3.973 321 HA GLN 61 HA GLN 61 -15.512 -7.014 -1.552 322 HB2 GLN 61 2HB GLN 61 -15.855 -9.335 -0.857 323 HB3 GLN 61 3HB GLN 61 -14.528 -9.852 -1.889 324 HG2 GLN 61 2HG GLN 61 -12.919 -8.874 -0.521 325 HG3 GLN 61 3HG GLN 61 -14.100 -7.846 0.289 326 HE21 GLN 61 1HE2 GLN 61 -14.130 -11.319 -0.381 327 HE22 GLN 61 2HE2 GLN 61 -14.255 -11.815 1.269 328 H VAL 62 H VAL 62 -13.645 -5.894 -1.374 329 HA VAL 62 HA VAL 62 -11.864 -5.906 -3.661 330 HB VAL 62 HB VAL 62 -12.667 -3.778 -2.639 331 HG11 VAL 62 1HG1 VAL 62 -10.687 -3.857 -0.483 332 HG12 VAL 62 2HG1 VAL 62 -12.335 -3.225 -0.491 333 HG13 VAL 62 3HG1 VAL 62 -12.051 -4.950 -0.253 334 HG21 VAL 62 1HG2 VAL 62 -10.591 -2.616 -2.874 335 HG22 VAL 62 2HG2 VAL 62 -9.670 -4.074 -2.504 336 HG23 VAL 62 3HG2 VAL 62 -10.584 -3.966 -4.009 337 H ILE 63 H ILE 63 -9.593 -6.142 -3.529 338 HA ILE 63 HA ILE 63 -8.464 -7.219 -1.071 339 HB ILE 63 HB ILE 63 -7.547 -9.204 -2.144 340 HG12 ILE 63 2HG1 ILE 63 -8.873 -9.732 -4.421 341 HG13 ILE 63 3HG1 ILE 63 -8.796 -7.978 -4.544 342 HG21 ILE 63 1HG2 ILE 63 -10.516 -9.158 -2.624 343 HG22 ILE 63 2HG2 ILE 63 -9.512 -10.527 -2.150 344 HG23 ILE 63 3HG2 ILE 63 -9.800 -9.210 -1.014 345 HD11 ILE 63 1HD1 ILE 63 -6.311 -9.482 -3.913 346 HD12 ILE 63 2HD1 ILE 63 -6.924 -9.481 -5.567 347 HD13 ILE 63 3HD1 ILE 63 -6.523 -7.958 -4.774 348 H ASN 64 H ASN 64 -6.043 -7.957 -1.723 349 HA ASN 64 HA ASN 64 -4.912 -5.642 -3.148 350 HB2 ASN 64 2HB ASN 64 -4.096 -7.126 -0.707 351 HB3 ASN 64 3HB ASN 64 -2.803 -6.546 -1.753 352 HD21 ASN 64 1HD2 ASN 64 -5.414 -5.655 0.347 353 HD22 ASN 64 2HD2 ASN 64 -4.998 -3.985 0.493 354 H VAL 65 H VAL 65 -3.489 -5.938 -4.788 355 HA VAL 65 HA VAL 65 -2.623 -8.683 -5.391 356 HB VAL 65 HB VAL 65 -2.933 -8.051 -7.856 357 HG11 VAL 65 1HG1 VAL 65 -4.678 -9.431 -7.774 358 HG12 VAL 65 2HG1 VAL 65 -4.576 -9.325 -6.015 359 HG13 VAL 65 3HG1 VAL 65 -5.657 -8.251 -6.904 360 HG21 VAL 65 1HG2 VAL 65 -5.150 -6.280 -7.016 361 HG22 VAL 65 2HG2 VAL 65 -3.523 -5.602 -6.953 362 HG23 VAL 65 3HG2 VAL 65 -4.154 -6.240 -8.471 363 HA PRO 66 HA PRO 66 1.363 -6.987 -6.103 364 HB2 PRO 66 2HB PRO 66 2.295 -8.605 -8.073 365 HB3 PRO 66 3HB PRO 66 2.101 -9.142 -6.401 366 HG2 PRO 66 2HG PRO 66 0.298 -9.576 -8.750 367 HG3 PRO 66 3HG PRO 66 0.786 -10.722 -7.489 368 HD2 PRO 66 2HD PRO 66 -1.610 -9.460 -7.462 369 HD3 PRO 66 3HD PRO 66 -0.748 -9.903 -5.975 370 H CYS 67 H CYS 67 0.964 -4.932 -6.931 371 HA CYS 67 HA CYS 67 0.062 -4.339 -9.512 372 HB2 CYS 67 2HB CYS 67 0.459 -2.830 -7.376 373 HB3 CYS 67 3HB CYS 67 2.005 -2.517 -8.159 Start of MODEL 9 1 H1 MET 19 H MET 19 5.053 -0.051 -1.625 2 HA MET 19 HA MET 19 2.182 -0.459 -1.338 3 HB2 MET 19 2HB MET 19 3.778 1.645 -2.807 4 HB3 MET 19 3HB MET 19 2.021 1.590 -2.763 5 HG2 MET 19 2HG MET 19 1.917 2.212 -0.557 6 HG3 MET 19 3HG MET 19 3.536 1.615 -0.201 7 HE1 MET 19 1HE MET 19 2.191 4.667 0.588 8 HE2 MET 19 2HE MET 19 2.403 5.827 -0.723 9 HE3 MET 19 3HE MET 19 1.309 4.458 -0.925 10 H GLY 20 H GLY 20 0.829 -0.431 -3.339 11 HA2 GLY 20 2HA GLY 20 1.997 -1.257 -5.820 12 HA3 GLY 20 3HA GLY 20 1.282 -2.606 -4.950 13 H CYS 21 H CYS 21 -0.658 -3.086 -5.708 14 HA CYS 21 HA CYS 21 -2.571 -0.921 -6.175 15 HB2 CYS 21 2HB CYS 21 -1.702 -2.984 -8.176 16 HB3 CYS 21 3HB CYS 21 -3.328 -2.314 -8.241 17 H THR 22 H THR 22 -4.821 -1.853 -6.542 18 HA THR 22 HA THR 22 -5.192 -4.328 -4.992 19 HB THR 22 HB THR 22 -7.283 -3.254 -4.037 20 HG1 THR 22 HG1 THR 22 -7.527 -1.090 -4.228 21 HG21 THR 22 1HG2 THR 22 -6.149 -2.610 -2.159 22 HG22 THR 22 2HG2 THR 22 -4.957 -1.678 -3.065 23 HG23 THR 22 3HG2 THR 22 -4.841 -3.436 -3.005 24 H TYR 23 H TYR 23 -6.930 -5.617 -5.575 25 HA TYR 23 HA TYR 23 -8.213 -4.888 -8.124 26 HB2 TYR 23 2HB TYR 23 -6.840 -6.830 -8.415 27 HB3 TYR 23 3HB TYR 23 -7.500 -7.587 -6.969 28 HD1 TYR 23 HD1 TYR 23 -9.755 -8.554 -6.991 29 HD2 TYR 23 HD2 TYR 23 -8.032 -6.889 -10.507 30 HE1 TYR 23 HE1 TYR 23 -11.461 -9.685 -8.356 31 HE2 TYR 23 HE2 TYR 23 -9.733 -8.015 -11.881 32 HH TYR 23 HH TYR 23 -11.769 -9.070 -11.791 33 H THR 24 H THR 24 -10.402 -5.047 -8.352 34 HA THR 24 HA THR 24 -11.926 -5.314 -5.872 35 HB THR 24 HB THR 24 -12.989 -4.411 -8.547 36 HG1 THR 24 HG1 THR 24 -11.518 -2.866 -8.165 37 HG21 THR 24 1HG2 THR 24 -14.923 -4.290 -7.449 38 HG22 THR 24 2HG2 THR 24 -14.203 -3.116 -6.347 39 HG23 THR 24 3HG2 THR 24 -14.141 -4.836 -5.966 40 H ILE 25 H ILE 25 -12.719 -7.255 -5.414 41 HA ILE 25 HA ILE 25 -13.210 -9.197 -7.509 42 HB ILE 25 HB ILE 25 -13.721 -9.520 -4.554 43 HG12 ILE 25 2HG1 ILE 25 -11.213 -10.139 -6.131 44 HG13 ILE 25 3HG1 ILE 25 -11.385 -8.861 -4.934 45 HG21 ILE 25 1HG2 ILE 25 -14.602 -11.118 -6.464 46 HG22 ILE 25 2HG2 ILE 25 -12.956 -11.742 -6.372 47 HG23 ILE 25 3HG2 ILE 25 -13.984 -11.755 -4.940 48 HD11 ILE 25 1HD1 ILE 25 -11.709 -10.496 -3.188 49 HD12 ILE 25 2HD1 ILE 25 -11.646 -11.804 -4.370 50 HD13 ILE 25 3HD1 ILE 25 -10.212 -10.825 -4.061 51 H GLN 26 H GLN 26 -15.042 -8.926 -8.626 52 HA GLN 26 HA GLN 26 -17.508 -8.326 -7.133 53 HB2 GLN 26 2HB GLN 26 -18.378 -7.699 -9.463 54 HB3 GLN 26 3HB GLN 26 -17.229 -6.607 -8.703 55 HG2 GLN 26 2HG GLN 26 -15.426 -7.566 -10.037 56 HG3 GLN 26 3HG GLN 26 -16.574 -8.670 -10.794 57 HE21 GLN 26 1HE2 GLN 26 -15.570 -5.340 -10.494 58 HE22 GLN 26 2HE2 GLN 26 -16.354 -4.770 -11.924 59 HA PRO 27 HA PRO 27 -19.505 -12.122 -7.989 60 HB2 PRO 27 2HB PRO 27 -21.592 -10.612 -9.483 61 HB3 PRO 27 3HB PRO 27 -21.767 -11.740 -8.133 62 HG2 PRO 27 2HG PRO 27 -22.013 -9.115 -7.752 63 HG3 PRO 27 3HG PRO 27 -21.207 -10.140 -6.550 64 HD2 PRO 27 2HD PRO 27 -20.055 -8.278 -8.561 65 HD3 PRO 27 3HD PRO 27 -19.491 -8.606 -6.910 66 H GLY 28 H GLY 28 -18.084 -13.087 -9.449 67 HA2 GLY 28 2HA GLY 28 -18.737 -14.150 -11.734 68 HA3 GLY 28 3HA GLY 28 -18.479 -12.507 -12.301 69 H ASP 29 H ASP 29 -16.290 -12.294 -10.178 70 HA ASP 29 HA ASP 29 -14.170 -13.254 -11.912 71 HB2 ASP 29 2HB ASP 29 -13.840 -11.775 -9.303 72 HB3 ASP 29 3HB ASP 29 -12.699 -11.880 -10.641 73 H THR 30 H THR 30 -12.312 -14.419 -11.041 74 HA THR 30 HA THR 30 -12.854 -16.023 -8.654 75 HB THR 30 HB THR 30 -11.857 -18.001 -10.107 76 HG1 THR 30 HG1 THR 30 -13.079 -16.258 -11.992 77 HG21 THR 30 1HG2 THR 30 -14.019 -18.014 -8.928 78 HG22 THR 30 2HG2 THR 30 -14.128 -18.791 -10.507 79 HG23 THR 30 3HG2 THR 30 -14.752 -17.157 -10.283 80 H PHE 31 H PHE 31 -11.045 -16.678 -7.549 81 HA PHE 31 HA PHE 31 -8.725 -15.195 -7.719 82 HB2 PHE 31 2HB PHE 31 -9.424 -17.793 -6.422 83 HB3 PHE 31 3HB PHE 31 -7.733 -17.304 -6.464 84 HD1 PHE 31 HD1 PHE 31 -10.873 -15.360 -5.964 85 HD2 PHE 31 HD2 PHE 31 -7.130 -16.599 -4.361 86 HE1 PHE 31 HE1 PHE 31 -11.244 -13.926 -3.999 87 HE2 PHE 31 HE2 PHE 31 -7.495 -15.168 -2.393 88 HZ PHE 31 HZ PHE 31 -9.554 -13.830 -2.210 89 H TRP 32 H TRP 32 -9.144 -18.573 -8.785 90 HA TRP 32 HA TRP 32 -6.646 -18.954 -9.908 91 HB2 TRP 32 2HB TRP 32 -8.473 -20.679 -9.577 92 HB3 TRP 32 3HB TRP 32 -9.201 -20.076 -11.063 93 HD1 TRP 32 HD1 TRP 32 -5.539 -21.076 -10.201 94 HE1 TRP 32 HE1 TRP 32 -4.712 -22.678 -12.038 95 HE3 TRP 32 HE3 TRP 32 -9.787 -21.324 -13.034 96 HZ2 TRP 32 HZ2 TRP 32 -5.726 -23.886 -14.379 97 HZ3 TRP 32 HZ3 TRP 32 -9.776 -22.725 -15.057 98 HH2 TRP 32 HH2 TRP 32 -7.786 -23.978 -15.714 99 H ALA 33 H ALA 33 -9.601 -17.803 -11.531 100 HA ALA 33 HA ALA 33 -8.536 -17.438 -14.074 101 HB1 ALA 33 1HB ALA 33 -10.390 -15.914 -14.475 102 HB2 ALA 33 2HB ALA 33 -10.932 -17.331 -13.575 103 HB3 ALA 33 3HB ALA 33 -10.686 -15.797 -12.740 104 H ILE 34 H ILE 34 -8.956 -14.961 -11.537 105 HA ILE 34 HA ILE 34 -7.683 -12.869 -12.843 106 HB ILE 34 HB ILE 34 -7.714 -13.418 -9.872 107 HG12 ILE 34 2HG1 ILE 34 -9.544 -11.565 -11.382 108 HG13 ILE 34 3HG1 ILE 34 -9.933 -13.270 -11.183 109 HG21 ILE 34 1HG2 ILE 34 -6.271 -11.699 -9.842 110 HG22 ILE 34 2HG2 ILE 34 -6.663 -11.211 -11.491 111 HG23 ILE 34 3HG2 ILE 34 -7.701 -10.716 -10.155 112 HD11 ILE 34 1HD1 ILE 34 -11.006 -11.791 -9.519 113 HD12 ILE 34 2HD1 ILE 34 -9.981 -13.034 -8.800 114 HD13 ILE 34 3HD1 ILE 34 -9.404 -11.372 -8.911 115 H ALA 35 H ALA 35 -6.331 -15.564 -11.064 116 HA ALA 35 HA ALA 35 -3.703 -14.560 -10.785 117 HB1 ALA 35 1HB ALA 35 -5.032 -16.772 -9.889 118 HB2 ALA 35 2HB ALA 35 -3.917 -17.461 -11.069 119 HB3 ALA 35 3HB ALA 35 -3.297 -16.493 -9.732 120 H GLN 36 H GLN 36 -4.978 -16.988 -13.073 121 HA GLN 36 HA GLN 36 -2.673 -17.133 -14.658 122 HB2 GLN 36 2HB GLN 36 -4.159 -18.135 -16.373 123 HB3 GLN 36 3HB GLN 36 -4.367 -18.850 -14.780 124 HG2 GLN 36 2HG GLN 36 -6.379 -17.536 -14.431 125 HG3 GLN 36 3HG GLN 36 -6.162 -16.766 -16.002 126 HE21 GLN 36 1HE2 GLN 36 -7.447 -19.405 -14.319 127 HE22 GLN 36 2HE2 GLN 36 -7.992 -20.320 -15.680 128 H ARG 37 H ARG 37 -5.260 -14.829 -14.578 129 HA ARG 37 HA ARG 37 -4.720 -13.720 -17.176 130 HB2 ARG 37 2HB ARG 37 -6.964 -13.632 -16.095 131 HB3 ARG 37 3HB ARG 37 -6.304 -12.531 -14.894 132 HG2 ARG 37 2HG ARG 37 -7.540 -11.348 -16.634 133 HG3 ARG 37 3HG ARG 37 -5.835 -10.891 -16.619 134 HD2 ARG 37 2HD ARG 37 -6.696 -13.112 -18.402 135 HD3 ARG 37 3HD ARG 37 -7.097 -11.459 -18.868 136 HE ARG 37 HE ARG 37 -4.448 -11.346 -18.272 137 HH11 ARG 37 1HH1 ARG 37 -6.382 -13.318 -20.391 138 HH12 ARG 37 2HH1 ARG 37 -5.112 -13.552 -21.546 139 HH21 ARG 37 1HH2 ARG 37 -2.768 -11.646 -19.786 140 HH22 ARG 37 2HH2 ARG 37 -3.057 -12.601 -21.201 141 H ARG 38 H ARG 38 -4.616 -12.147 -13.978 142 HA ARG 38 HA ARG 38 -3.040 -9.998 -14.694 143 HB2 ARG 38 2HB ARG 38 -3.130 -11.428 -12.031 144 HB3 ARG 38 3HB ARG 38 -2.461 -9.823 -12.292 145 HG2 ARG 38 2HG ARG 38 -5.266 -10.332 -13.127 146 HG3 ARG 38 3HG ARG 38 -4.911 -10.167 -11.406 147 HD2 ARG 38 2HD ARG 38 -4.162 -8.167 -13.536 148 HD3 ARG 38 3HD ARG 38 -5.556 -8.032 -12.465 149 HE ARG 38 HE ARG 38 -3.336 -8.341 -10.841 150 HH11 ARG 38 1HH1 ARG 38 -4.503 -6.055 -13.194 151 HH12 ARG 38 2HH1 ARG 38 -3.710 -4.700 -12.463 152 HH21 ARG 38 1HH2 ARG 38 -2.287 -6.564 -9.869 153 HH22 ARG 38 2HH2 ARG 38 -2.449 -4.990 -10.572 154 H GLY 39 H GLY 39 -2.099 -13.282 -13.983 155 HA2 GLY 39 2HA GLY 39 -0.060 -14.159 -14.904 156 HA3 GLY 39 3HA GLY 39 0.665 -12.571 -14.707 157 H THR 40 H THR 40 -1.260 -13.795 -12.124 158 HA THR 40 HA THR 40 1.195 -14.406 -10.609 159 HB THR 40 HB THR 40 0.036 -12.322 -9.867 160 HG1 THR 40 HG1 THR 40 0.846 -12.869 -7.999 161 HG21 THR 40 1HG2 THR 40 -2.267 -12.990 -10.324 162 HG22 THR 40 2HG2 THR 40 -2.076 -12.543 -8.628 163 HG23 THR 40 3HG2 THR 40 -2.162 -14.243 -9.089 164 H THR 41 H THR 41 0.600 -15.725 -8.551 165 HA THR 41 HA THR 41 -1.037 -17.997 -9.447 166 HB THR 41 HB THR 41 0.265 -19.069 -7.386 167 HG1 THR 41 HG1 THR 41 2.253 -18.151 -7.081 168 HG21 THR 41 1HG2 THR 41 0.558 -20.167 -9.385 169 HG22 THR 41 2HG2 THR 41 2.177 -19.511 -9.144 170 HG23 THR 41 3HG2 THR 41 1.053 -18.706 -10.239 171 H VAL 42 H VAL 42 -2.556 -18.939 -8.088 172 HA VAL 42 HA VAL 42 -4.112 -17.300 -6.507 173 HB VAL 42 HB VAL 42 -4.936 -19.421 -7.374 174 HG11 VAL 42 1HG1 VAL 42 -2.848 -20.705 -7.015 175 HG12 VAL 42 2HG1 VAL 42 -3.212 -20.755 -5.289 176 HG13 VAL 42 3HG1 VAL 42 -4.288 -21.546 -6.442 177 HG21 VAL 42 1HG2 VAL 42 -5.405 -18.389 -4.801 178 HG22 VAL 42 2HG2 VAL 42 -6.486 -19.378 -5.782 179 HG23 VAL 42 3HG2 VAL 42 -5.385 -20.144 -4.637 180 H ASP 43 H ASP 43 -1.386 -19.319 -5.582 181 HA ASP 43 HA ASP 43 -1.672 -19.250 -2.810 182 HB2 ASP 43 2HB ASP 43 0.636 -19.601 -4.671 183 HB3 ASP 43 3HB ASP 43 0.973 -19.335 -2.963 184 H VAL 44 H VAL 44 0.060 -17.009 -4.957 185 HA VAL 44 HA VAL 44 0.918 -15.277 -2.876 186 HB VAL 44 HB VAL 44 0.569 -14.628 -5.806 187 HG11 VAL 44 1HG1 VAL 44 1.228 -12.988 -3.632 188 HG12 VAL 44 2HG1 VAL 44 2.744 -13.300 -4.480 189 HG13 VAL 44 3HG1 VAL 44 1.373 -12.609 -5.348 190 HG21 VAL 44 1HG2 VAL 44 2.910 -15.798 -4.310 191 HG22 VAL 44 2HG2 VAL 44 1.988 -16.553 -5.610 192 HG23 VAL 44 3HG2 VAL 44 3.002 -15.150 -5.948 193 H ILE 45 H ILE 45 -1.796 -15.168 -5.159 194 HA ILE 45 HA ILE 45 -2.835 -12.682 -4.539 195 HB ILE 45 HB ILE 45 -4.398 -15.183 -5.194 196 HG12 ILE 45 2HG1 ILE 45 -3.509 -12.992 -7.071 197 HG13 ILE 45 3HG1 ILE 45 -2.574 -14.461 -6.811 198 HG21 ILE 45 1HG2 ILE 45 -5.154 -12.269 -5.306 199 HG22 ILE 45 2HG2 ILE 45 -6.087 -13.564 -6.055 200 HG23 ILE 45 3HG2 ILE 45 -5.879 -13.526 -4.304 201 HD11 ILE 45 1HD1 ILE 45 -4.029 -15.754 -7.969 202 HD12 ILE 45 2HD1 ILE 45 -5.426 -14.766 -7.541 203 HD13 ILE 45 3HD1 ILE 45 -4.307 -14.218 -8.789 204 H GLN 46 H GLN 46 -3.494 -15.795 -2.959 205 HA GLN 46 HA GLN 46 -5.289 -14.679 -1.040 206 HB2 GLN 46 2HB GLN 46 -3.920 -17.331 -1.351 207 HB3 GLN 46 3HB GLN 46 -4.789 -16.948 0.129 208 HG2 GLN 46 2HG GLN 46 -6.829 -16.588 -1.142 209 HG3 GLN 46 3HG GLN 46 -5.965 -16.929 -2.641 210 HE21 GLN 46 1HE2 GLN 46 -5.942 -18.508 0.531 211 HE22 GLN 46 2HE2 GLN 46 -6.390 -20.072 -0.052 212 H SER 47 H SER 47 -1.873 -15.600 -1.007 213 HA SER 47 HA SER 47 -1.317 -15.270 1.685 214 HB2 SER 47 2HB SER 47 0.365 -16.193 0.254 215 HB3 SER 47 3HB SER 47 0.399 -14.741 -0.747 216 HG SER 47 HG SER 47 2.133 -14.965 0.849 217 H LEU 48 H LEU 48 -1.528 -12.845 -0.868 218 HA LEU 48 HA LEU 48 -0.589 -10.668 0.683 219 HB2 LEU 48 2HB LEU 48 -1.998 -11.010 -1.901 220 HB3 LEU 48 3HB LEU 48 -2.097 -9.426 -1.134 221 HG LEU 48 HG LEU 48 0.498 -10.817 -1.783 222 HD11 LEU 48 1HD1 LEU 48 -1.054 -8.769 -3.355 223 HD12 LEU 48 2HD1 LEU 48 -0.624 -10.403 -3.858 224 HD13 LEU 48 3HD1 LEU 48 0.634 -9.185 -3.653 225 HD21 LEU 48 1HD2 LEU 48 1.256 -9.250 -0.375 226 HD22 LEU 48 2HD2 LEU 48 -0.257 -8.344 -0.416 227 HD23 LEU 48 3HD2 LEU 48 0.939 -8.122 -1.693 228 H ASN 49 H ASN 49 -3.649 -12.264 0.429 229 HA ASN 49 HA ASN 49 -4.813 -10.256 2.244 230 HB2 ASN 49 2HB ASN 49 -6.310 -11.892 0.184 231 HB3 ASN 49 3HB ASN 49 -7.001 -10.678 1.257 232 HD21 ASN 49 1HD2 ASN 49 -4.758 -11.175 -1.402 233 HD22 ASN 49 2HD2 ASN 49 -4.877 -9.575 -2.044 234 HA PRO 50 HA PRO 50 -4.685 -14.402 4.334 235 HB2 PRO 50 2HB PRO 50 -3.761 -13.440 6.699 236 HB3 PRO 50 3HB PRO 50 -2.694 -13.902 5.367 237 HG2 PRO 50 2HG PRO 50 -3.646 -11.181 6.175 238 HG3 PRO 50 3HG PRO 50 -2.024 -11.697 5.677 239 HD2 PRO 50 2HD PRO 50 -3.730 -10.430 3.999 240 HD3 PRO 50 3HD PRO 50 -2.558 -11.638 3.435 241 H GLY 51 H GLY 51 -6.131 -11.323 4.933 242 HA2 GLY 51 2HA GLY 51 -7.662 -12.015 7.226 243 HA3 GLY 51 3HA GLY 51 -7.975 -10.668 6.141 244 H VAL 52 H VAL 52 -8.163 -12.427 3.789 245 HA VAL 52 HA VAL 52 -10.851 -13.502 4.328 246 HB VAL 52 HB VAL 52 -11.198 -13.282 1.852 247 HG11 VAL 52 1HG1 VAL 52 -12.077 -11.226 2.144 248 HG12 VAL 52 2HG1 VAL 52 -11.578 -11.475 3.818 249 HG13 VAL 52 3HG1 VAL 52 -10.558 -10.542 2.722 250 HG21 VAL 52 1HG2 VAL 52 -9.519 -12.755 0.498 251 HG22 VAL 52 2HG2 VAL 52 -9.216 -11.268 1.396 252 HG23 VAL 52 3HG2 VAL 52 -8.430 -12.769 1.885 253 H VAL 53 H VAL 53 -11.505 -15.378 3.001 254 HA VAL 53 HA VAL 53 -9.301 -17.079 2.107 255 HB VAL 53 HB VAL 53 -10.430 -19.026 3.335 256 HG11 VAL 53 1HG1 VAL 53 -9.121 -17.025 5.153 257 HG12 VAL 53 2HG1 VAL 53 -9.000 -18.785 5.184 258 HG13 VAL 53 3HG1 VAL 53 -8.228 -17.869 3.889 259 HG21 VAL 53 1HG2 VAL 53 -11.338 -17.002 5.321 260 HG22 VAL 53 2HG2 VAL 53 -12.380 -17.365 3.945 261 HG23 VAL 53 3HG2 VAL 53 -11.902 -18.651 5.052 262 HA PRO 54 HA PRO 54 -12.075 -18.293 -1.072 263 HB2 PRO 54 2HB PRO 54 -11.292 -20.852 -1.525 264 HB3 PRO 54 3HB PRO 54 -10.323 -19.453 -2.001 265 HG2 PRO 54 2HG PRO 54 -10.048 -21.219 0.401 266 HG3 PRO 54 3HG PRO 54 -8.785 -20.576 -0.665 267 HD2 PRO 54 2HD PRO 54 -9.350 -19.485 1.748 268 HD3 PRO 54 3HD PRO 54 -8.783 -18.517 0.372 269 H THR 55 H THR 55 -11.953 -20.126 1.879 270 HA THR 55 HA THR 55 -14.035 -21.950 1.397 271 HB THR 55 HB THR 55 -13.623 -20.810 4.133 272 HG1 THR 55 HG1 THR 55 -11.559 -21.231 4.006 273 HG21 THR 55 1HG2 THR 55 -13.658 -23.708 3.416 274 HG22 THR 55 2HG2 THR 55 -15.168 -22.796 3.378 275 HG23 THR 55 3HG2 THR 55 -14.238 -22.903 4.873 276 H ARG 56 H ARG 56 -14.067 -18.697 2.820 277 HA ARG 56 HA ARG 56 -16.993 -18.669 2.465 278 HB2 ARG 56 2HB ARG 56 -16.946 -16.915 4.317 279 HB3 ARG 56 3HB ARG 56 -16.648 -18.581 4.794 280 HG2 ARG 56 2HG ARG 56 -14.219 -18.109 4.768 281 HG3 ARG 56 3HG ARG 56 -14.588 -16.419 4.415 282 HD2 ARG 56 2HD ARG 56 -14.338 -16.384 6.709 283 HD3 ARG 56 3HD ARG 56 -16.082 -16.580 6.536 284 HE ARG 56 HE ARG 56 -14.854 -19.111 6.699 285 HH11 ARG 56 1HH1 ARG 56 -15.614 -16.337 8.660 286 HH12 ARG 56 2HH1 ARG 56 -15.717 -17.243 10.133 287 HH21 ARG 56 1HH2 ARG 56 -14.988 -20.315 8.631 288 HH22 ARG 56 2HH2 ARG 56 -15.360 -19.506 10.115 289 H LEU 57 H LEU 57 -15.903 -17.998 0.253 290 HA LEU 57 HA LEU 57 -14.903 -15.360 0.006 291 HB2 LEU 57 2HB LEU 57 -14.729 -17.323 -1.634 292 HB3 LEU 57 3HB LEU 57 -16.340 -16.848 -2.168 293 HG LEU 57 HG LEU 57 -15.211 -14.510 -2.513 294 HD11 LEU 57 1HD1 LEU 57 -13.076 -15.297 -1.448 295 HD12 LEU 57 2HD1 LEU 57 -12.899 -14.557 -3.038 296 HD13 LEU 57 3HD1 LEU 57 -12.827 -16.310 -2.870 297 HD21 LEU 57 1HD2 LEU 57 -14.381 -15.434 -4.803 298 HD22 LEU 57 2HD2 LEU 57 -16.098 -15.490 -4.402 299 HD23 LEU 57 3HD2 LEU 57 -15.107 -16.941 -4.245 300 H GLN 58 H GLN 58 -15.900 -13.452 -0.529 301 HA GLN 58 HA GLN 58 -18.841 -13.467 -0.629 302 HB2 GLN 58 2HB GLN 58 -17.056 -11.636 0.977 303 HB3 GLN 58 3HB GLN 58 -18.754 -11.299 0.663 304 HG2 GLN 58 2HG GLN 58 -19.409 -13.303 1.839 305 HG3 GLN 58 3HG GLN 58 -17.719 -13.747 2.076 306 HE21 GLN 58 1HE2 GLN 58 -18.464 -13.810 4.341 307 HE22 GLN 58 2HE2 GLN 58 -18.408 -12.347 5.257 308 H VAL 59 H VAL 59 -19.301 -12.887 -2.654 309 HA VAL 59 HA VAL 59 -17.694 -11.443 -4.400 310 HB VAL 59 HB VAL 59 -19.649 -11.140 -5.795 311 HG11 VAL 59 1HG1 VAL 59 -19.792 -13.316 -6.326 312 HG12 VAL 59 2HG1 VAL 59 -18.628 -13.540 -5.018 313 HG13 VAL 59 3HG1 VAL 59 -20.350 -13.775 -4.717 314 HG21 VAL 59 1HG2 VAL 59 -21.137 -11.732 -3.261 315 HG22 VAL 59 2HG2 VAL 59 -21.347 -10.388 -4.384 316 HG23 VAL 59 3HG2 VAL 59 -21.878 -12.007 -4.838 317 H GLY 60 H GLY 60 -17.376 -9.323 -4.833 318 HA2 GLY 60 2HA GLY 60 -17.897 -7.023 -4.829 319 HA3 GLY 60 3HA GLY 60 -19.116 -7.324 -3.599 320 H GLN 61 H GLN 61 -15.685 -8.227 -3.641 321 HA GLN 61 HA GLN 61 -15.246 -6.412 -1.371 322 HB2 GLN 61 2HB GLN 61 -15.542 -9.004 -0.898 323 HB3 GLN 61 3HB GLN 61 -13.858 -9.053 -1.401 324 HG2 GLN 61 2HG GLN 61 -14.435 -6.947 0.532 325 HG3 GLN 61 3HG GLN 61 -14.757 -8.573 1.134 326 HE21 GLN 61 1HE2 GLN 61 -12.878 -10.116 0.152 327 HE22 GLN 61 2HE2 GLN 61 -11.296 -9.581 0.594 328 H VAL 62 H VAL 62 -13.349 -5.322 -1.380 329 HA VAL 62 HA VAL 62 -11.684 -5.603 -3.758 330 HB VAL 62 HB VAL 62 -12.407 -3.356 -3.219 331 HG11 VAL 62 1HG1 VAL 62 -10.838 -2.865 -0.861 332 HG12 VAL 62 2HG1 VAL 62 -12.557 -2.582 -1.141 333 HG13 VAL 62 3HG1 VAL 62 -12.003 -4.156 -0.567 334 HG21 VAL 62 1HG2 VAL 62 -9.484 -3.527 -2.527 335 HG22 VAL 62 2HG2 VAL 62 -10.100 -3.810 -4.156 336 HG23 VAL 62 3HG2 VAL 62 -10.328 -2.239 -3.387 337 H ILE 63 H ILE 63 -9.747 -6.536 -3.755 338 HA ILE 63 HA ILE 63 -8.443 -7.035 -1.158 339 HB ILE 63 HB ILE 63 -7.438 -9.053 -2.170 340 HG12 ILE 63 2HG1 ILE 63 -9.428 -8.920 -4.398 341 HG13 ILE 63 3HG1 ILE 63 -7.915 -8.036 -4.562 342 HG21 ILE 63 1HG2 ILE 63 -9.489 -10.426 -2.156 343 HG22 ILE 63 2HG2 ILE 63 -9.423 -9.284 -0.814 344 HG23 ILE 63 3HG2 ILE 63 -10.451 -8.949 -2.207 345 HD11 ILE 63 1HD1 ILE 63 -7.840 -10.904 -3.770 346 HD12 ILE 63 2HD1 ILE 63 -8.138 -10.472 -5.454 347 HD13 ILE 63 3HD1 ILE 63 -6.656 -9.945 -4.658 348 H ASN 64 H ASN 64 -6.010 -7.657 -1.608 349 HA ASN 64 HA ASN 64 -4.905 -5.437 -3.179 350 HB2 ASN 64 2HB ASN 64 -4.043 -6.882 -0.723 351 HB3 ASN 64 3HB ASN 64 -2.779 -6.266 -1.784 352 HD21 ASN 64 1HD2 ASN 64 -5.636 -5.356 0.053 353 HD22 ASN 64 2HD2 ASN 64 -5.177 -3.709 0.299 354 H VAL 65 H VAL 65 -3.342 -5.747 -4.727 355 HA VAL 65 HA VAL 65 -2.378 -8.449 -5.256 356 HB VAL 65 HB VAL 65 -2.925 -8.091 -7.733 357 HG11 VAL 65 1HG1 VAL 65 -4.236 -9.406 -5.710 358 HG12 VAL 65 2HG1 VAL 65 -5.527 -8.475 -6.475 359 HG13 VAL 65 3HG1 VAL 65 -4.554 -9.592 -7.434 360 HG21 VAL 65 1HG2 VAL 65 -4.854 -6.702 -8.229 361 HG22 VAL 65 2HG2 VAL 65 -4.951 -6.197 -6.542 362 HG23 VAL 65 3HG2 VAL 65 -3.565 -5.725 -7.525 363 HA PRO 66 HA PRO 66 1.331 -6.410 -6.419 364 HB2 PRO 66 2HB PRO 66 2.307 -8.097 -8.308 365 HB3 PRO 66 3HB PRO 66 2.289 -8.491 -6.585 366 HG2 PRO 66 2HG PRO 66 0.392 -9.336 -8.741 367 HG3 PRO 66 3HG PRO 66 1.092 -10.299 -7.426 368 HD2 PRO 66 2HD PRO 66 -1.425 -9.305 -7.324 369 HD3 PRO 66 3HD PRO 66 -0.419 -9.510 -5.875 370 H CYS 67 H CYS 67 0.962 -4.496 -7.430 371 HA CYS 67 HA CYS 67 -0.333 -4.158 -9.897 372 HB2 CYS 67 2HB CYS 67 0.333 -2.445 -7.997 373 HB3 CYS 67 3HB CYS 67 1.754 -2.211 -9.010 Start of MODEL 10 1 H1 MET 19 H MET 19 3.947 -1.767 -0.907 2 HA MET 19 HA MET 19 2.833 0.563 -2.327 3 HB2 MET 19 2HB MET 19 5.321 0.551 -1.701 4 HB3 MET 19 3HB MET 19 5.501 -0.698 -2.926 5 HG2 MET 19 2HG MET 19 4.860 0.768 -4.656 6 HG3 MET 19 3HG MET 19 4.272 1.975 -3.515 7 HE1 MET 19 1HE MET 19 7.492 3.437 -5.423 8 HE2 MET 19 2HE MET 19 6.274 2.321 -6.038 9 HE3 MET 19 3HE MET 19 5.783 3.740 -5.111 10 H GLY 20 H GLY 20 1.100 -0.738 -3.140 11 HA2 GLY 20 2HA GLY 20 1.838 -2.117 -5.587 12 HA3 GLY 20 3HA GLY 20 1.042 -3.113 -4.378 13 H CYS 21 H CYS 21 -0.603 -3.408 -6.034 14 HA CYS 21 HA CYS 21 -2.448 -1.113 -6.183 15 HB2 CYS 21 2HB CYS 21 -1.681 -3.181 -8.199 16 HB3 CYS 21 3HB CYS 21 -3.320 -2.539 -8.236 17 H THR 22 H THR 22 -4.772 -1.824 -6.521 18 HA THR 22 HA THR 22 -5.348 -4.222 -4.907 19 HB THR 22 HB THR 22 -7.239 -3.096 -3.890 20 HG1 THR 22 HG1 THR 22 -6.434 -0.892 -5.507 21 HG21 THR 22 1HG2 THR 22 -5.883 -2.326 -2.299 22 HG22 THR 22 2HG2 THR 22 -5.452 -0.934 -3.292 23 HG23 THR 22 3HG2 THR 22 -4.540 -2.436 -3.435 24 H TYR 23 H TYR 23 -7.188 -5.410 -5.449 25 HA TYR 23 HA TYR 23 -8.461 -4.679 -8.004 26 HB2 TYR 23 2HB TYR 23 -6.967 -6.489 -8.483 27 HB3 TYR 23 3HB TYR 23 -7.513 -7.392 -7.075 28 HD1 TYR 23 HD1 TYR 23 -8.306 -6.407 -10.511 29 HD2 TYR 23 HD2 TYR 23 -9.619 -8.603 -7.112 30 HE1 TYR 23 HE1 TYR 23 -9.974 -7.557 -11.906 31 HE2 TYR 23 HE2 TYR 23 -11.289 -9.760 -8.497 32 HH TYR 23 HH TYR 23 -11.324 -9.479 -11.953 33 H THR 24 H THR 24 -10.638 -5.204 -8.254 34 HA THR 24 HA THR 24 -12.046 -5.735 -5.729 35 HB THR 24 HB THR 24 -13.168 -4.530 -8.264 36 HG1 THR 24 HG1 THR 24 -12.619 -2.618 -7.476 37 HG21 THR 24 1HG2 THR 24 -14.523 -3.915 -5.780 38 HG22 THR 24 2HG2 THR 24 -14.465 -5.654 -6.071 39 HG23 THR 24 3HG2 THR 24 -15.172 -4.581 -7.279 40 H ILE 25 H ILE 25 -12.797 -7.723 -5.466 41 HA ILE 25 HA ILE 25 -13.127 -9.503 -7.720 42 HB ILE 25 HB ILE 25 -13.782 -10.070 -4.831 43 HG12 ILE 25 2HG1 ILE 25 -11.168 -10.472 -6.302 44 HG13 ILE 25 3HG1 ILE 25 -11.459 -9.291 -5.030 45 HG21 ILE 25 1HG2 ILE 25 -14.131 -11.554 -7.192 46 HG22 ILE 25 2HG2 ILE 25 -12.774 -12.286 -6.337 47 HG23 ILE 25 3HG2 ILE 25 -14.331 -12.104 -5.528 48 HD11 ILE 25 1HD1 ILE 25 -11.275 -12.269 -4.820 49 HD12 ILE 25 2HD1 ILE 25 -10.358 -11.032 -3.959 50 HD13 ILE 25 3HD1 ILE 25 -12.056 -11.303 -3.568 51 H GLN 26 H GLN 26 -14.892 -8.996 -8.915 52 HA GLN 26 HA GLN 26 -17.441 -8.522 -7.568 53 HB2 GLN 26 2HB GLN 26 -16.944 -8.444 -10.538 54 HB3 GLN 26 3HB GLN 26 -18.251 -7.688 -9.635 55 HG2 GLN 26 2HG GLN 26 -16.223 -6.433 -8.483 56 HG3 GLN 26 3HG GLN 26 -15.449 -6.810 -10.021 57 HE21 GLN 26 1HE2 GLN 26 -15.563 -4.298 -9.741 58 HE22 GLN 26 2HE2 GLN 26 -16.884 -3.548 -10.564 59 HA PRO 27 HA PRO 27 -19.360 -12.397 -8.231 60 HB2 PRO 27 2HB PRO 27 -21.457 -11.028 -9.835 61 HB3 PRO 27 3HB PRO 27 -21.621 -12.044 -8.398 62 HG2 PRO 27 2HG PRO 27 -21.917 -9.411 -8.220 63 HG3 PRO 27 3HG PRO 27 -21.071 -10.313 -6.949 64 HD2 PRO 27 2HD PRO 27 -19.944 -8.619 -9.132 65 HD3 PRO 27 3HD PRO 27 -19.421 -8.768 -7.442 66 H GLY 28 H GLY 28 -17.943 -13.458 -9.613 67 HA2 GLY 28 2HA GLY 28 -18.499 -14.685 -11.807 68 HA3 GLY 28 3HA GLY 28 -18.364 -13.076 -12.503 69 H ASP 29 H ASP 29 -16.169 -12.596 -10.400 70 HA ASP 29 HA ASP 29 -14.012 -13.592 -12.091 71 HB2 ASP 29 2HB ASP 29 -13.660 -11.777 -9.718 72 HB3 ASP 29 3HB ASP 29 -12.649 -11.921 -11.153 73 H THR 30 H THR 30 -12.756 -15.250 -11.554 74 HA THR 30 HA THR 30 -12.968 -16.328 -8.826 75 HB THR 30 HB THR 30 -11.644 -18.223 -10.392 76 HG1 THR 30 HG1 THR 30 -12.413 -18.053 -12.351 77 HG21 THR 30 1HG2 THR 30 -14.482 -17.942 -9.436 78 HG22 THR 30 2HG2 THR 30 -13.179 -18.907 -8.743 79 HG23 THR 30 3HG2 THR 30 -13.916 -19.387 -10.272 80 H PHE 31 H PHE 31 -11.041 -17.246 -7.852 81 HA PHE 31 HA PHE 31 -8.881 -15.499 -7.795 82 HB2 PHE 31 2HB PHE 31 -9.359 -18.269 -6.796 83 HB3 PHE 31 3HB PHE 31 -7.706 -17.661 -6.791 84 HD1 PHE 31 HD1 PHE 31 -7.783 -14.985 -5.971 85 HD2 PHE 31 HD2 PHE 31 -10.314 -18.172 -4.723 86 HE1 PHE 31 HE1 PHE 31 -8.225 -13.803 -3.859 87 HE2 PHE 31 HE2 PHE 31 -10.760 -16.994 -2.609 88 HZ PHE 31 HZ PHE 31 -9.716 -14.806 -2.176 89 H TRP 32 H TRP 32 -9.042 -18.727 -9.298 90 HA TRP 32 HA TRP 32 -6.510 -18.808 -10.398 91 HB2 TRP 32 2HB TRP 32 -8.364 -20.608 -10.369 92 HB3 TRP 32 3HB TRP 32 -8.900 -19.878 -11.880 93 HD1 TRP 32 HD1 TRP 32 -5.792 -21.631 -10.391 94 HE1 TRP 32 HE1 TRP 32 -4.504 -22.747 -12.321 95 HE3 TRP 32 HE3 TRP 32 -8.574 -19.917 -14.323 96 HZ2 TRP 32 HZ2 TRP 32 -4.648 -22.882 -15.136 97 HZ3 TRP 32 HZ3 TRP 32 -7.932 -20.585 -16.602 98 HH2 TRP 32 HH2 TRP 32 -6.009 -22.037 -16.999 99 H ALA 33 H ALA 33 -9.494 -17.670 -11.987 100 HA ALA 33 HA ALA 33 -8.425 -16.876 -14.403 101 HB1 ALA 33 1HB ALA 33 -10.517 -16.233 -14.774 102 HB2 ALA 33 2HB ALA 33 -10.879 -16.597 -13.086 103 HB3 ALA 33 3HB ALA 33 -10.396 -14.966 -13.552 104 H ILE 34 H ILE 34 -8.889 -14.828 -11.518 105 HA ILE 34 HA ILE 34 -7.661 -12.534 -12.548 106 HB ILE 34 HB ILE 34 -7.805 -13.425 -9.665 107 HG12 ILE 34 2HG1 ILE 34 -9.622 -11.462 -11.050 108 HG13 ILE 34 3HG1 ILE 34 -9.973 -13.186 -11.032 109 HG21 ILE 34 1HG2 ILE 34 -6.313 -11.711 -9.515 110 HG22 ILE 34 2HG2 ILE 34 -6.896 -10.926 -10.982 111 HG23 ILE 34 3HG2 ILE 34 -7.811 -10.781 -9.481 112 HD11 ILE 34 1HD1 ILE 34 -10.004 -13.148 -8.591 113 HD12 ILE 34 2HD1 ILE 34 -9.670 -11.417 -8.619 114 HD13 ILE 34 3HD1 ILE 34 -11.183 -12.033 -9.281 115 H ALA 35 H ALA 35 -6.321 -15.386 -11.019 116 HA ALA 35 HA ALA 35 -3.745 -14.398 -10.468 117 HB1 ALA 35 1HB ALA 35 -3.246 -16.508 -9.825 118 HB2 ALA 35 2HB ALA 35 -4.999 -16.693 -9.899 119 HB3 ALA 35 3HB ALA 35 -3.997 -17.238 -11.244 120 H GLN 36 H GLN 36 -4.746 -16.527 -13.156 121 HA GLN 36 HA GLN 36 -2.360 -16.279 -14.605 122 HB2 GLN 36 2HB GLN 36 -5.080 -16.797 -15.803 123 HB3 GLN 36 3HB GLN 36 -3.518 -17.311 -16.427 124 HG2 GLN 36 2HG GLN 36 -4.937 -18.322 -13.979 125 HG3 GLN 36 3HG GLN 36 -4.584 -19.202 -15.465 126 HE21 GLN 36 1HE2 GLN 36 -3.830 -19.457 -12.510 127 HE22 GLN 36 2HE2 GLN 36 -2.125 -19.730 -12.553 128 H ARG 37 H ARG 37 -5.095 -14.185 -14.330 129 HA ARG 37 HA ARG 37 -4.539 -12.695 -16.732 130 HB2 ARG 37 2HB ARG 37 -6.828 -12.859 -15.899 131 HB3 ARG 37 3HB ARG 37 -6.353 -12.085 -14.393 132 HG2 ARG 37 2HG ARG 37 -6.141 -10.005 -15.372 133 HG3 ARG 37 3HG ARG 37 -5.931 -10.676 -16.990 134 HD2 ARG 37 2HD ARG 37 -8.342 -11.519 -16.734 135 HD3 ARG 37 3HD ARG 37 -8.448 -10.392 -15.382 136 HE ARG 37 HE ARG 37 -7.473 -9.171 -17.783 137 HH11 ARG 37 1HH1 ARG 37 -10.332 -10.138 -16.049 138 HH12 ARG 37 2HH1 ARG 37 -11.355 -8.975 -16.825 139 HH21 ARG 37 1HH2 ARG 37 -8.809 -7.635 -18.812 140 HH22 ARG 37 2HH2 ARG 37 -10.487 -7.553 -18.398 141 H ARG 38 H ARG 38 -3.712 -12.504 -13.349 142 HA ARG 38 HA ARG 38 -2.420 -9.903 -13.772 143 HB2 ARG 38 2HB ARG 38 -3.074 -11.408 -11.234 144 HB3 ARG 38 3HB ARG 38 -2.201 -9.883 -11.282 145 HG2 ARG 38 2HG ARG 38 -4.967 -10.232 -12.405 146 HG3 ARG 38 3HG ARG 38 -4.644 -9.720 -10.747 147 HD2 ARG 38 2HD ARG 38 -3.558 -8.306 -13.174 148 HD3 ARG 38 3HD ARG 38 -5.070 -7.862 -12.383 149 HE ARG 38 HE ARG 38 -3.186 -7.866 -10.390 150 HH11 ARG 38 1HH1 ARG 38 -3.604 -6.230 -13.434 151 HH12 ARG 38 2HH1 ARG 38 -2.757 -4.804 -12.933 152 HH21 ARG 38 1HH2 ARG 38 -2.068 -5.995 -9.718 153 HH22 ARG 38 2HH2 ARG 38 -1.883 -4.672 -10.819 154 H GLY 39 H GLY 39 -1.458 -12.646 -14.637 155 HA2 GLY 39 2HA GLY 39 0.514 -13.823 -14.714 156 HA3 GLY 39 3HA GLY 39 1.266 -12.272 -14.371 157 H THR 40 H THR 40 -0.944 -13.756 -12.124 158 HA THR 40 HA THR 40 1.326 -14.523 -10.413 159 HB THR 40 HB THR 40 0.328 -12.359 -9.664 160 HG1 THR 40 HG1 THR 40 0.273 -13.006 -7.504 161 HG21 THR 40 1HG2 THR 40 -1.999 -12.844 -10.335 162 HG22 THR 40 2HG2 THR 40 -1.878 -12.350 -8.647 163 HG23 THR 40 3HG2 THR 40 -2.098 -14.051 -9.054 164 H THR 41 H THR 41 0.448 -15.848 -8.461 165 HA THR 41 HA THR 41 -1.395 -17.868 -9.552 166 HB THR 41 HB THR 41 0.261 -18.580 -7.209 167 HG1 THR 41 HG1 THR 41 2.041 -17.917 -8.149 168 HG21 THR 41 1HG2 THR 41 -0.931 -19.848 -9.588 169 HG22 THR 41 2HG2 THR 41 -0.734 -20.470 -7.950 170 HG23 THR 41 3HG2 THR 41 0.622 -20.507 -9.076 171 H VAL 42 H VAL 42 -2.931 -18.844 -8.155 172 HA VAL 42 HA VAL 42 -4.402 -17.130 -6.563 173 HB VAL 42 HB VAL 42 -5.366 -19.172 -7.442 174 HG11 VAL 42 1HG1 VAL 42 -3.723 -20.693 -5.427 175 HG12 VAL 42 2HG1 VAL 42 -4.799 -21.355 -6.659 176 HG13 VAL 42 3HG1 VAL 42 -3.301 -20.552 -7.133 177 HG21 VAL 42 1HG2 VAL 42 -5.729 -19.913 -4.672 178 HG22 VAL 42 2HG2 VAL 42 -5.771 -18.162 -4.881 179 HG23 VAL 42 3HG2 VAL 42 -6.873 -19.186 -5.801 180 H ASP 43 H ASP 43 -1.821 -19.346 -5.650 181 HA ASP 43 HA ASP 43 -2.100 -19.273 -2.881 182 HB2 ASP 43 2HB ASP 43 -0.580 -20.833 -3.915 183 HB3 ASP 43 3HB ASP 43 0.389 -19.519 -4.579 184 H VAL 44 H VAL 44 -0.119 -17.179 -4.972 185 HA VAL 44 HA VAL 44 0.829 -15.518 -2.898 186 HB VAL 44 HB VAL 44 0.500 -14.868 -5.831 187 HG11 VAL 44 1HG1 VAL 44 1.494 -13.334 -3.559 188 HG12 VAL 44 2HG1 VAL 44 2.647 -13.442 -4.891 189 HG13 VAL 44 3HG1 VAL 44 1.029 -12.798 -5.172 190 HG21 VAL 44 1HG2 VAL 44 1.932 -16.679 -5.830 191 HG22 VAL 44 2HG2 VAL 44 3.061 -15.330 -5.697 192 HG23 VAL 44 3HG2 VAL 44 2.628 -16.263 -4.264 193 H ILE 45 H ILE 45 -1.876 -15.145 -5.171 194 HA ILE 45 HA ILE 45 -2.739 -12.620 -4.477 195 HB ILE 45 HB ILE 45 -4.480 -14.988 -5.172 196 HG12 ILE 45 2HG1 ILE 45 -3.537 -12.825 -7.042 197 HG13 ILE 45 3HG1 ILE 45 -2.586 -14.281 -6.769 198 HG21 ILE 45 1HG2 ILE 45 -6.053 -13.497 -4.482 199 HG22 ILE 45 2HG2 ILE 45 -5.029 -12.098 -4.803 200 HG23 ILE 45 3HG2 ILE 45 -5.840 -12.921 -6.135 201 HD11 ILE 45 1HD1 ILE 45 -5.377 -14.826 -7.394 202 HD12 ILE 45 2HD1 ILE 45 -4.515 -13.969 -8.673 203 HD13 ILE 45 3HD1 ILE 45 -3.902 -15.510 -8.075 204 H GLN 46 H GLN 46 -3.732 -15.711 -3.014 205 HA GLN 46 HA GLN 46 -5.404 -14.538 -1.054 206 HB2 GLN 46 2HB GLN 46 -5.563 -16.904 -1.780 207 HB3 GLN 46 3HB GLN 46 -4.028 -17.229 -0.986 208 HG2 GLN 46 2HG GLN 46 -5.735 -17.973 0.467 209 HG3 GLN 46 3HG GLN 46 -5.081 -16.489 1.158 210 HE21 GLN 46 1HE2 GLN 46 -7.703 -17.713 -0.870 211 HE22 GLN 46 2HE2 GLN 46 -8.877 -16.553 -0.361 212 H SER 47 H SER 47 -2.031 -15.604 -1.022 213 HA SER 47 HA SER 47 -1.462 -15.335 1.670 214 HB2 SER 47 2HB SER 47 0.778 -15.427 1.082 215 HB3 SER 47 3HB SER 47 0.025 -16.092 -0.368 216 HG SER 47 HG SER 47 0.389 -14.230 -1.432 217 H LEU 48 H LEU 48 -1.434 -12.851 -0.856 218 HA LEU 48 HA LEU 48 -0.475 -10.745 0.748 219 HB2 LEU 48 2HB LEU 48 -2.159 -10.773 -1.745 220 HB3 LEU 48 3HB LEU 48 -1.582 -9.287 -0.993 221 HG LEU 48 HG LEU 48 0.143 -11.476 -2.153 222 HD11 LEU 48 1HD1 LEU 48 0.213 -8.736 -3.223 223 HD12 LEU 48 2HD1 LEU 48 -1.262 -9.646 -3.548 224 HD13 LEU 48 3HD1 LEU 48 0.300 -10.287 -4.057 225 HD21 LEU 48 1HD2 LEU 48 1.358 -10.534 -0.368 226 HD22 LEU 48 2HD2 LEU 48 0.800 -8.903 -0.741 227 HD23 LEU 48 3HD2 LEU 48 1.938 -9.715 -1.818 228 H ASN 49 H ASN 49 -3.592 -12.216 0.461 229 HA ASN 49 HA ASN 49 -4.733 -10.119 2.189 230 HB2 ASN 49 2HB ASN 49 -6.146 -11.953 0.240 231 HB3 ASN 49 3HB ASN 49 -6.952 -10.820 1.320 232 HD21 ASN 49 1HD2 ASN 49 -4.764 -11.103 -1.403 233 HD22 ASN 49 2HD2 ASN 49 -5.036 -9.516 -2.029 234 HA PRO 50 HA PRO 50 -4.441 -14.033 4.672 235 HB2 PRO 50 2HB PRO 50 -3.499 -12.817 6.910 236 HB3 PRO 50 3HB PRO 50 -2.446 -13.379 5.606 237 HG2 PRO 50 2HG PRO 50 -3.462 -10.619 6.165 238 HG3 PRO 50 3HG PRO 50 -1.836 -11.136 5.683 239 HD2 PRO 50 2HD PRO 50 -3.612 -10.089 3.927 240 HD3 PRO 50 3HD PRO 50 -2.416 -11.313 3.459 241 H GLY 51 H GLY 51 -5.983 -10.964 4.975 242 HA2 GLY 51 2HA GLY 51 -7.445 -11.473 7.367 243 HA3 GLY 51 3HA GLY 51 -7.811 -10.238 6.171 244 H VAL 52 H VAL 52 -7.983 -12.228 3.997 245 HA VAL 52 HA VAL 52 -10.662 -13.250 4.653 246 HB VAL 52 HB VAL 52 -10.991 -13.366 2.178 247 HG11 VAL 52 1HG1 VAL 52 -11.985 -11.514 3.173 248 HG12 VAL 52 2HG1 VAL 52 -10.434 -10.772 3.570 249 HG13 VAL 52 3HG1 VAL 52 -10.996 -10.803 1.898 250 HG21 VAL 52 1HG2 VAL 52 -9.352 -12.971 0.719 251 HG22 VAL 52 2HG2 VAL 52 -8.865 -11.493 1.549 252 HG23 VAL 52 3HG2 VAL 52 -8.243 -13.053 2.088 253 H VAL 53 H VAL 53 -11.274 -15.246 3.329 254 HA VAL 53 HA VAL 53 -9.029 -17.085 2.950 255 HB VAL 53 HB VAL 53 -10.416 -18.866 4.163 256 HG11 VAL 53 1HG1 VAL 53 -8.850 -16.666 5.426 257 HG12 VAL 53 2HG1 VAL 53 -9.603 -17.886 6.454 258 HG13 VAL 53 3HG1 VAL 53 -8.438 -18.368 5.221 259 HG21 VAL 53 1HG2 VAL 53 -11.937 -18.116 5.868 260 HG22 VAL 53 2HG2 VAL 53 -11.623 -16.428 5.465 261 HG23 VAL 53 3HG2 VAL 53 -12.464 -17.467 4.315 262 HA PRO 54 HA PRO 54 -11.322 -18.540 -0.499 263 HB2 PRO 54 2HB PRO 54 -10.586 -21.153 -0.574 264 HB3 PRO 54 3HB PRO 54 -9.496 -19.835 -1.021 265 HG2 PRO 54 2HG PRO 54 -9.674 -21.355 1.552 266 HG3 PRO 54 3HG PRO 54 -8.235 -20.857 0.644 267 HD2 PRO 54 2HD PRO 54 -9.123 -19.512 2.821 268 HD3 PRO 54 3HD PRO 54 -8.308 -18.704 1.466 269 H THR 55 H THR 55 -11.628 -20.314 2.522 270 HA THR 55 HA THR 55 -13.843 -21.912 1.781 271 HB THR 55 HB THR 55 -13.396 -21.008 4.608 272 HG1 THR 55 HG1 THR 55 -11.739 -22.577 4.756 273 HG21 THR 55 1HG2 THR 55 -14.670 -23.268 3.207 274 HG22 THR 55 2HG2 THR 55 -15.066 -22.525 4.757 275 HG23 THR 55 3HG2 THR 55 -13.748 -23.691 4.649 276 H ARG 56 H ARG 56 -13.536 -18.625 2.876 277 HA ARG 56 HA ARG 56 -16.460 -18.403 3.100 278 HB2 ARG 56 2HB ARG 56 -14.323 -16.495 4.067 279 HB3 ARG 56 3HB ARG 56 -16.054 -16.317 4.317 280 HG2 ARG 56 2HG ARG 56 -15.806 -18.682 5.434 281 HG3 ARG 56 3HG ARG 56 -14.128 -18.167 5.619 282 HD2 ARG 56 2HD ARG 56 -16.604 -16.820 6.676 283 HD3 ARG 56 3HD ARG 56 -15.288 -17.541 7.601 284 HE ARG 56 HE ARG 56 -14.088 -15.588 6.122 285 HH11 ARG 56 1HH1 ARG 56 -16.739 -15.686 8.377 286 HH12 ARG 56 2HH1 ARG 56 -16.490 -14.067 8.941 287 HH21 ARG 56 1HH2 ARG 56 -13.750 -13.455 6.856 288 HH22 ARG 56 2HH2 ARG 56 -14.790 -12.798 8.074 289 H LEU 57 H LEU 57 -15.495 -18.609 0.544 290 HA LEU 57 HA LEU 57 -14.799 -16.230 -0.742 291 HB2 LEU 57 2HB LEU 57 -14.861 -18.649 -1.623 292 HB3 LEU 57 3HB LEU 57 -16.546 -18.310 -2.010 293 HG LEU 57 HG LEU 57 -15.651 -16.333 -3.364 294 HD11 LEU 57 1HD1 LEU 57 -13.312 -16.812 -4.233 295 HD12 LEU 57 2HD1 LEU 57 -13.115 -17.845 -2.818 296 HD13 LEU 57 3HD1 LEU 57 -13.436 -16.124 -2.614 297 HD21 LEU 57 1HD2 LEU 57 -16.556 -18.073 -4.602 298 HD22 LEU 57 2HD2 LEU 57 -15.330 -19.225 -4.071 299 HD23 LEU 57 3HD2 LEU 57 -14.912 -17.962 -5.230 300 H GLN 58 H GLN 58 -15.911 -14.499 -1.452 301 HA GLN 58 HA GLN 58 -18.821 -14.560 -1.526 302 HB2 GLN 58 2HB GLN 58 -18.472 -13.853 0.732 303 HB3 GLN 58 3HB GLN 58 -17.230 -12.708 0.245 304 HG2 GLN 58 2HG GLN 58 -18.823 -11.277 -0.769 305 HG3 GLN 58 3HG GLN 58 -20.096 -12.488 -0.625 306 HE21 GLN 58 1HE2 GLN 58 -20.740 -10.128 0.304 307 HE22 GLN 58 2HE2 GLN 58 -20.705 -10.070 2.030 308 H VAL 59 H VAL 59 -19.621 -13.373 -3.155 309 HA VAL 59 HA VAL 59 -17.792 -12.064 -4.944 310 HB VAL 59 HB VAL 59 -19.730 -11.678 -6.370 311 HG11 VAL 59 1HG1 VAL 59 -18.615 -13.899 -6.327 312 HG12 VAL 59 2HG1 VAL 59 -19.851 -14.452 -5.195 313 HG13 VAL 59 3HG1 VAL 59 -20.304 -13.964 -6.829 314 HG21 VAL 59 1HG2 VAL 59 -21.385 -11.107 -4.711 315 HG22 VAL 59 2HG2 VAL 59 -21.966 -12.475 -5.661 316 HG23 VAL 59 3HG2 VAL 59 -21.325 -12.737 -4.039 317 H GLY 60 H GLY 60 -17.542 -9.912 -5.337 318 HA2 GLY 60 2HA GLY 60 -18.029 -7.624 -5.211 319 HA3 GLY 60 3HA GLY 60 -19.323 -7.984 -4.077 320 H GLN 61 H GLN 61 -15.880 -8.847 -3.960 321 HA GLN 61 HA GLN 61 -15.609 -7.162 -1.567 322 HB2 GLN 61 2HB GLN 61 -15.914 -9.722 -1.174 323 HB3 GLN 61 3HB GLN 61 -14.248 -9.829 -1.726 324 HG2 GLN 61 2HG GLN 61 -13.459 -8.537 0.075 325 HG3 GLN 61 3HG GLN 61 -15.084 -8.011 0.509 326 HE21 GLN 61 1HE2 GLN 61 -13.156 -10.963 0.152 327 HE22 GLN 61 2HE2 GLN 61 -13.840 -11.780 1.512 328 H VAL 62 H VAL 62 -13.773 -5.997 -1.447 329 HA VAL 62 HA VAL 62 -11.992 -6.057 -3.733 330 HB VAL 62 HB VAL 62 -12.829 -3.910 -2.778 331 HG11 VAL 62 1HG1 VAL 62 -10.841 -4.211 -0.567 332 HG12 VAL 62 2HG1 VAL 62 -12.221 -3.118 -0.694 333 HG13 VAL 62 3HG1 VAL 62 -12.479 -4.833 -0.372 334 HG21 VAL 62 1HG2 VAL 62 -10.817 -2.724 -3.131 335 HG22 VAL 62 2HG2 VAL 62 -9.831 -4.082 -2.588 336 HG23 VAL 62 3HG2 VAL 62 -10.696 -4.178 -4.121 337 H ILE 63 H ILE 63 -9.719 -6.256 -3.598 338 HA ILE 63 HA ILE 63 -8.569 -7.229 -1.107 339 HB ILE 63 HB ILE 63 -7.580 -9.217 -2.191 340 HG12 ILE 63 2HG1 ILE 63 -9.589 -8.965 -4.400 341 HG13 ILE 63 3HG1 ILE 63 -8.038 -8.144 -4.544 342 HG21 ILE 63 1HG2 ILE 63 -9.846 -9.121 -0.924 343 HG22 ILE 63 2HG2 ILE 63 -10.541 -9.457 -2.509 344 HG23 ILE 63 3HG2 ILE 63 -9.395 -10.589 -1.791 345 HD11 ILE 63 1HD1 ILE 63 -7.078 -10.022 -5.195 346 HD12 ILE 63 2HD1 ILE 63 -7.602 -10.840 -3.723 347 HD13 ILE 63 3HD1 ILE 63 -8.651 -10.817 -5.140 348 H ASN 64 H ASN 64 -6.139 -7.898 -1.665 349 HA ASN 64 HA ASN 64 -5.043 -5.622 -3.169 350 HB2 ASN 64 2HB ASN 64 -4.197 -7.078 -0.724 351 HB3 ASN 64 3HB ASN 64 -2.912 -6.519 -1.791 352 HD21 ASN 64 1HD2 ASN 64 -5.205 -5.660 0.563 353 HD22 ASN 64 2HD2 ASN 64 -4.893 -3.961 0.588 354 H VAL 65 H VAL 65 -3.384 -5.911 -4.657 355 HA VAL 65 HA VAL 65 -2.472 -8.607 -5.260 356 HB VAL 65 HB VAL 65 -3.003 -8.195 -7.734 357 HG11 VAL 65 1HG1 VAL 65 -5.311 -8.702 -5.860 358 HG12 VAL 65 2HG1 VAL 65 -5.180 -9.232 -7.538 359 HG13 VAL 65 3HG1 VAL 65 -4.095 -9.894 -6.315 360 HG21 VAL 65 1HG2 VAL 65 -4.833 -6.753 -8.265 361 HG22 VAL 65 2HG2 VAL 65 -5.102 -6.375 -6.563 362 HG23 VAL 65 3HG2 VAL 65 -3.643 -5.804 -7.373 363 HA PRO 66 HA PRO 66 1.256 -6.570 -6.364 364 HB2 PRO 66 2HB PRO 66 2.231 -8.226 -8.282 365 HB3 PRO 66 3HB PRO 66 2.201 -8.655 -6.567 366 HG2 PRO 66 2HG PRO 66 0.310 -9.443 -8.749 367 HG3 PRO 66 3HG PRO 66 0.997 -10.437 -7.451 368 HD2 PRO 66 2HD PRO 66 -1.514 -9.428 -7.341 369 HD3 PRO 66 3HD PRO 66 -0.517 -9.669 -5.892 370 H CYS 67 H CYS 67 1.082 -4.654 -7.374 371 HA CYS 67 HA CYS 67 -0.266 -4.228 -9.818 372 HB2 CYS 67 2HB CYS 67 0.482 -2.573 -7.887 373 HB3 CYS 67 3HB CYS 67 1.885 -2.357 -8.930 Start of MODEL 11 1 H1 MET 19 H MET 19 2.725 -1.510 0.160 2 HA MET 19 HA MET 19 1.475 0.508 -1.558 3 HB2 MET 19 2HB MET 19 4.206 -0.753 -1.510 4 HB3 MET 19 3HB MET 19 3.638 0.154 -2.905 5 HG2 MET 19 2HG MET 19 3.247 2.094 -1.391 6 HG3 MET 19 3HG MET 19 4.019 1.173 -0.103 7 HE1 MET 19 1HE MET 19 6.015 3.846 -0.442 8 HE2 MET 19 2HE MET 19 5.939 4.210 -2.166 9 HE3 MET 19 3HE MET 19 4.453 3.928 -1.257 10 H GLY 20 H GLY 20 1.985 -0.118 -4.034 11 HA2 GLY 20 2HA GLY 20 1.906 -1.870 -5.671 12 HA3 GLY 20 3HA GLY 20 1.151 -2.906 -4.469 13 H CYS 21 H CYS 21 -0.340 -3.288 -6.316 14 HA CYS 21 HA CYS 21 -2.369 -1.162 -6.516 15 HB2 CYS 21 2HB CYS 21 -1.371 -3.199 -8.457 16 HB3 CYS 21 3HB CYS 21 -3.058 -2.704 -8.563 17 H THR 22 H THR 22 -4.621 -2.080 -6.970 18 HA THR 22 HA THR 22 -5.099 -4.540 -5.437 19 HB THR 22 HB THR 22 -7.039 -3.502 -4.326 20 HG1 THR 22 HG1 THR 22 -7.647 -1.783 -5.498 21 HG21 THR 22 1HG2 THR 22 -5.210 -1.561 -3.345 22 HG22 THR 22 2HG2 THR 22 -4.292 -3.002 -3.782 23 HG23 THR 22 3HG2 THR 22 -5.633 -3.122 -2.643 24 H TYR 23 H TYR 23 -6.731 -5.816 -6.182 25 HA TYR 23 HA TYR 23 -8.082 -4.899 -8.631 26 HB2 TYR 23 2HB TYR 23 -6.692 -6.794 -9.094 27 HB3 TYR 23 3HB TYR 23 -7.317 -7.669 -7.701 28 HD1 TYR 23 HD1 TYR 23 -7.920 -6.706 -11.164 29 HD2 TYR 23 HD2 TYR 23 -9.560 -8.663 -7.761 30 HE1 TYR 23 HE1 TYR 23 -9.630 -7.746 -12.594 31 HE2 TYR 23 HE2 TYR 23 -11.274 -9.709 -9.181 32 HH TYR 23 HH TYR 23 -11.742 -8.776 -12.486 33 H THR 24 H THR 24 -10.262 -4.957 -8.790 34 HA THR 24 HA THR 24 -11.744 -5.491 -6.334 35 HB THR 24 HB THR 24 -13.083 -4.468 -8.798 36 HG1 THR 24 HG1 THR 24 -11.713 -2.672 -7.105 37 HG21 THR 24 1HG2 THR 24 -13.558 -3.040 -6.341 38 HG22 THR 24 2HG2 THR 24 -13.756 -4.775 -6.096 39 HG23 THR 24 3HG2 THR 24 -14.690 -3.948 -7.342 40 H ILE 25 H ILE 25 -12.444 -7.506 -6.060 41 HA ILE 25 HA ILE 25 -13.021 -9.215 -8.326 42 HB ILE 25 HB ILE 25 -13.401 -9.856 -5.403 43 HG12 ILE 25 2HG1 ILE 25 -10.958 -10.272 -7.141 44 HG13 ILE 25 3HG1 ILE 25 -11.090 -9.130 -5.807 45 HG21 ILE 25 1HG2 ILE 25 -13.352 -12.136 -6.071 46 HG22 ILE 25 2HG2 ILE 25 -14.488 -11.311 -7.138 47 HG23 ILE 25 3HG2 ILE 25 -12.869 -11.711 -7.713 48 HD11 ILE 25 1HD1 ILE 25 -9.864 -11.183 -5.224 49 HD12 ILE 25 2HD1 ILE 25 -11.300 -10.932 -4.230 50 HD13 ILE 25 3HD1 ILE 25 -11.327 -12.116 -5.537 51 H GLN 26 H GLN 26 -14.904 -8.876 -9.328 52 HA GLN 26 HA GLN 26 -17.292 -8.316 -7.715 53 HB2 GLN 26 2HB GLN 26 -16.488 -7.701 -10.517 54 HB3 GLN 26 3HB GLN 26 -18.199 -7.929 -10.184 55 HG2 GLN 26 2HG GLN 26 -16.566 -6.066 -8.515 56 HG3 GLN 26 3HG GLN 26 -17.192 -5.557 -10.082 57 HE21 GLN 26 1HE2 GLN 26 -17.806 -5.634 -6.849 58 HE22 GLN 26 2HE2 GLN 26 -19.521 -5.428 -6.878 59 HA PRO 27 HA PRO 27 -19.431 -12.091 -8.265 60 HB2 PRO 27 2HB PRO 27 -21.417 -10.643 -9.956 61 HB3 PRO 27 3HB PRO 27 -21.680 -11.677 -8.547 62 HG2 PRO 27 2HG PRO 27 -21.840 -9.011 -8.365 63 HG3 PRO 27 3HG PRO 27 -21.170 -9.992 -7.049 64 HD2 PRO 27 2HD PRO 27 -19.793 -8.234 -8.989 65 HD3 PRO 27 3HD PRO 27 -19.350 -8.656 -7.322 66 H GLY 28 H GLY 28 -18.145 -13.348 -9.562 67 HA2 GLY 28 2HA GLY 28 -18.648 -14.591 -11.725 68 HA3 GLY 28 3HA GLY 28 -18.452 -13.015 -12.478 69 H ASP 29 H ASP 29 -16.274 -12.511 -10.372 70 HA ASP 29 HA ASP 29 -14.133 -13.738 -11.948 71 HB2 ASP 29 2HB ASP 29 -13.697 -11.639 -9.846 72 HB3 ASP 29 3HB ASP 29 -12.744 -11.979 -11.287 73 H THR 30 H THR 30 -12.811 -15.250 -11.151 74 HA THR 30 HA THR 30 -13.098 -15.952 -8.305 75 HB THR 30 HB THR 30 -12.010 -18.176 -9.207 76 HG1 THR 30 HG1 THR 30 -12.689 -18.585 -11.361 77 HG21 THR 30 1HG2 THR 30 -14.154 -19.148 -9.311 78 HG22 THR 30 2HG2 THR 30 -14.889 -17.662 -9.911 79 HG23 THR 30 3HG2 THR 30 -14.337 -17.761 -8.240 80 H PHE 31 H PHE 31 -11.201 -16.739 -7.191 81 HA PHE 31 HA PHE 31 -9.007 -15.072 -7.340 82 HB2 PHE 31 2HB PHE 31 -9.496 -17.737 -6.084 83 HB3 PHE 31 3HB PHE 31 -7.847 -17.123 -6.128 84 HD1 PHE 31 HD1 PHE 31 -11.092 -15.372 -5.609 85 HD2 PHE 31 HD2 PHE 31 -7.312 -16.463 -3.985 86 HE1 PHE 31 HE1 PHE 31 -11.555 -14.002 -3.618 87 HE2 PHE 31 HE2 PHE 31 -7.769 -15.096 -1.992 88 HZ PHE 31 HZ PHE 31 -9.893 -13.863 -1.806 89 H TRP 32 H TRP 32 -9.209 -18.431 -8.516 90 HA TRP 32 HA TRP 32 -6.678 -18.609 -9.634 91 HB2 TRP 32 2HB TRP 32 -8.285 -20.500 -9.352 92 HB3 TRP 32 3HB TRP 32 -9.191 -19.885 -10.732 93 HD1 TRP 32 HD1 TRP 32 -5.373 -20.495 -10.303 94 HE1 TRP 32 HE1 TRP 32 -4.586 -21.950 -12.276 95 HE3 TRP 32 HE3 TRP 32 -9.868 -21.207 -12.633 96 HZ2 TRP 32 HZ2 TRP 32 -5.719 -23.229 -14.522 97 HZ3 TRP 32 HZ3 TRP 32 -9.930 -22.558 -14.689 98 HH2 TRP 32 HH2 TRP 32 -7.897 -23.546 -15.613 99 H ALA 33 H ALA 33 -9.710 -17.792 -11.329 100 HA ALA 33 HA ALA 33 -8.666 -17.234 -13.820 101 HB1 ALA 33 1HB ALA 33 -11.061 -17.346 -13.355 102 HB2 ALA 33 2HB ALA 33 -10.963 -15.824 -12.467 103 HB3 ALA 33 3HB ALA 33 -10.641 -15.856 -14.201 104 H ILE 34 H ILE 34 -9.149 -14.954 -11.127 105 HA ILE 34 HA ILE 34 -8.077 -12.705 -12.438 106 HB ILE 34 HB ILE 34 -8.178 -13.285 -9.475 107 HG12 ILE 34 2HG1 ILE 34 -10.070 -11.527 -11.014 108 HG13 ILE 34 3HG1 ILE 34 -10.347 -13.261 -10.896 109 HG21 ILE 34 1HG2 ILE 34 -7.179 -11.018 -11.022 110 HG22 ILE 34 2HG2 ILE 34 -8.350 -10.572 -9.782 111 HG23 ILE 34 3HG2 ILE 34 -6.891 -11.459 -9.339 112 HD11 ILE 34 1HD1 ILE 34 -10.018 -11.462 -8.512 113 HD12 ILE 34 2HD1 ILE 34 -11.576 -11.878 -9.228 114 HD13 ILE 34 3HD1 ILE 34 -10.560 -13.141 -8.533 115 H ALA 35 H ALA 35 -6.590 -15.381 -10.796 116 HA ALA 35 HA ALA 35 -4.054 -14.181 -10.338 117 HB1 ALA 35 1HB ALA 35 -5.184 -16.422 -9.437 118 HB2 ALA 35 2HB ALA 35 -4.215 -17.109 -10.741 119 HB3 ALA 35 3HB ALA 35 -3.437 -16.179 -9.460 120 H GLN 36 H GLN 36 -5.049 -16.629 -12.741 121 HA GLN 36 HA GLN 36 -2.704 -16.571 -14.247 122 HB2 GLN 36 2HB GLN 36 -5.484 -17.123 -15.292 123 HB3 GLN 36 3HB GLN 36 -3.967 -17.665 -15.999 124 HG2 GLN 36 2HG GLN 36 -3.542 -19.062 -14.057 125 HG3 GLN 36 3HG GLN 36 -5.034 -18.495 -13.309 126 HE21 GLN 36 1HE2 GLN 36 -7.040 -18.940 -14.493 127 HE22 GLN 36 2HE2 GLN 36 -7.160 -20.415 -15.384 128 H ARG 37 H ARG 37 -5.353 -14.358 -14.130 129 HA ARG 37 HA ARG 37 -4.665 -13.086 -16.646 130 HB2 ARG 37 2HB ARG 37 -7.035 -13.327 -15.739 131 HB3 ARG 37 3HB ARG 37 -6.612 -12.074 -14.579 132 HG2 ARG 37 2HG ARG 37 -5.966 -10.666 -16.614 133 HG3 ARG 37 3HG ARG 37 -6.852 -11.865 -17.557 134 HD2 ARG 37 2HD ARG 37 -8.869 -11.421 -16.318 135 HD3 ARG 37 3HD ARG 37 -8.003 -10.342 -15.225 136 HE ARG 37 HE ARG 37 -7.601 -9.247 -17.680 137 HH11 ARG 37 1HH1 ARG 37 -10.419 -10.197 -15.872 138 HH12 ARG 37 2HH1 ARG 37 -11.441 -8.989 -16.579 139 HH21 ARG 37 1HH2 ARG 37 -8.935 -7.653 -18.619 140 HH22 ARG 37 2HH2 ARG 37 -10.596 -7.543 -18.142 141 H ARG 38 H ARG 38 -4.179 -12.610 -13.220 142 HA ARG 38 HA ARG 38 -2.976 -9.986 -13.667 143 HB2 ARG 38 2HB ARG 38 -3.654 -11.527 -11.163 144 HB3 ARG 38 3HB ARG 38 -2.756 -10.015 -11.140 145 HG2 ARG 38 2HG ARG 38 -5.491 -10.300 -12.358 146 HG3 ARG 38 3HG ARG 38 -5.208 -9.815 -10.685 147 HD2 ARG 38 2HD ARG 38 -4.131 -8.388 -13.114 148 HD3 ARG 38 3HD ARG 38 -5.555 -7.895 -12.198 149 HE ARG 38 HE ARG 38 -3.515 -8.055 -10.362 150 HH11 ARG 38 1HH1 ARG 38 -4.127 -6.287 -13.298 151 HH12 ARG 38 2HH1 ARG 38 -3.186 -4.913 -12.822 152 HH21 ARG 38 1HH2 ARG 38 -2.273 -6.252 -9.723 153 HH22 ARG 38 2HH2 ARG 38 -2.131 -4.894 -10.788 154 H GLY 39 H GLY 39 -1.802 -12.640 -14.514 155 HA2 GLY 39 2HA GLY 39 0.251 -13.672 -14.557 156 HA3 GLY 39 3HA GLY 39 0.883 -12.074 -14.189 157 H THR 40 H THR 40 -1.262 -13.725 -11.996 158 HA THR 40 HA THR 40 1.017 -14.387 -10.258 159 HB THR 40 HB THR 40 -0.045 -12.250 -9.521 160 HG1 THR 40 HG1 THR 40 -0.534 -13.226 -7.297 161 HG21 THR 40 1HG2 THR 40 -2.256 -12.313 -8.501 162 HG22 THR 40 2HG2 THR 40 -2.426 -14.014 -8.933 163 HG23 THR 40 3HG2 THR 40 -2.352 -12.786 -10.196 164 H THR 41 H THR 41 0.164 -15.729 -8.305 165 HA THR 41 HA THR 41 -1.678 -17.766 -9.375 166 HB THR 41 HB THR 41 -0.476 -19.266 -7.633 167 HG1 THR 41 HG1 THR 41 1.534 -17.287 -8.046 168 HG21 THR 41 1HG2 THR 41 1.459 -19.595 -9.305 169 HG22 THR 41 2HG2 THR 41 0.666 -18.333 -10.247 170 HG23 THR 41 3HG2 THR 41 -0.190 -19.831 -9.883 171 H VAL 42 H VAL 42 -3.022 -18.893 -7.833 172 HA VAL 42 HA VAL 42 -4.512 -17.260 -6.183 173 HB VAL 42 HB VAL 42 -4.141 -20.244 -5.883 174 HG11 VAL 42 1HG1 VAL 42 -5.630 -18.362 -4.345 175 HG12 VAL 42 2HG1 VAL 42 -6.756 -19.403 -5.218 176 HG13 VAL 42 3HG1 VAL 42 -5.534 -20.113 -4.161 177 HG21 VAL 42 1HG2 VAL 42 -5.773 -18.562 -7.725 178 HG22 VAL 42 2HG2 VAL 42 -4.892 -20.055 -8.047 179 HG23 VAL 42 3HG2 VAL 42 -6.423 -20.105 -7.172 180 H ASP 43 H ASP 43 -1.831 -19.408 -5.298 181 HA ASP 43 HA ASP 43 -1.901 -19.160 -2.550 182 HB2 ASP 43 2HB ASP 43 -0.380 -20.691 -3.688 183 HB3 ASP 43 3HB ASP 43 0.529 -19.333 -4.344 184 H VAL 44 H VAL 44 -0.077 -17.117 -4.832 185 HA VAL 44 HA VAL 44 0.937 -15.322 -2.940 186 HB VAL 44 HB VAL 44 0.261 -14.781 -5.836 187 HG11 VAL 44 1HG1 VAL 44 1.885 -13.271 -3.810 188 HG12 VAL 44 2HG1 VAL 44 2.142 -13.079 -5.545 189 HG13 VAL 44 3HG1 VAL 44 0.577 -12.683 -4.836 190 HG21 VAL 44 1HG2 VAL 44 2.535 -15.372 -6.330 191 HG22 VAL 44 2HG2 VAL 44 2.897 -15.599 -4.619 192 HG23 VAL 44 3HG2 VAL 44 1.793 -16.702 -5.441 193 H ILE 45 H ILE 45 -1.916 -14.977 -5.052 194 HA ILE 45 HA ILE 45 -2.815 -12.522 -4.174 195 HB ILE 45 HB ILE 45 -4.521 -14.887 -4.962 196 HG12 ILE 45 2HG1 ILE 45 -3.496 -12.594 -6.649 197 HG13 ILE 45 3HG1 ILE 45 -2.792 -14.207 -6.631 198 HG21 ILE 45 1HG2 ILE 45 -5.180 -12.193 -4.129 199 HG22 ILE 45 2HG2 ILE 45 -5.780 -12.548 -5.748 200 HG23 ILE 45 3HG2 ILE 45 -6.233 -13.582 -4.394 201 HD11 ILE 45 1HD1 ILE 45 -5.687 -13.861 -7.253 202 HD12 ILE 45 2HD1 ILE 45 -4.469 -13.544 -8.489 203 HD13 ILE 45 3HD1 ILE 45 -4.575 -15.139 -7.744 204 H GLN 46 H GLN 46 -3.877 -15.703 -2.953 205 HA GLN 46 HA GLN 46 -5.469 -14.736 -0.871 206 HB2 GLN 46 2HB GLN 46 -5.213 -17.139 -1.841 207 HB3 GLN 46 3HB GLN 46 -3.950 -17.312 -0.629 208 HG2 GLN 46 2HG GLN 46 -6.336 -16.198 0.532 209 HG3 GLN 46 3HG GLN 46 -6.684 -17.714 -0.297 210 HE21 GLN 46 1HE2 GLN 46 -4.615 -16.213 2.121 211 HE22 GLN 46 2HE2 GLN 46 -4.311 -17.655 3.022 212 H SER 47 H SER 47 -2.038 -15.599 -0.934 213 HA SER 47 HA SER 47 -1.525 -15.307 1.807 214 HB2 SER 47 2HB SER 47 0.153 -16.386 0.552 215 HB3 SER 47 3HB SER 47 0.217 -15.088 -0.641 216 HG SER 47 HG SER 47 0.902 -14.652 2.064 217 H LEU 48 H LEU 48 -1.793 -12.968 -0.770 218 HA LEU 48 HA LEU 48 -0.832 -10.810 0.941 219 HB2 LEU 48 2HB LEU 48 -1.610 -10.991 -1.951 220 HB3 LEU 48 3HB LEU 48 -1.378 -9.436 -1.155 221 HG LEU 48 HG LEU 48 0.732 -11.578 -1.406 222 HD11 LEU 48 1HD1 LEU 48 -0.058 -10.412 -3.542 223 HD12 LEU 48 2HD1 LEU 48 1.667 -10.385 -3.182 224 HD13 LEU 48 3HD1 LEU 48 0.679 -8.959 -2.867 225 HD21 LEU 48 1HD2 LEU 48 2.042 -9.279 -0.913 226 HD22 LEU 48 2HD2 LEU 48 1.550 -10.413 0.345 227 HD23 LEU 48 3HD2 LEU 48 0.562 -8.992 0.001 228 H ASN 49 H ASN 49 -3.488 -12.384 1.135 229 HA ASN 49 HA ASN 49 -5.097 -10.038 1.749 230 HB2 ASN 49 2HB ASN 49 -5.915 -12.173 -0.216 231 HB3 ASN 49 3HB ASN 49 -7.101 -11.185 0.631 232 HD21 ASN 49 1HD2 ASN 49 -4.327 -11.061 -1.526 233 HD22 ASN 49 2HD2 ASN 49 -4.758 -9.574 -2.293 234 HA PRO 50 HA PRO 50 -5.295 -13.437 4.905 235 HB2 PRO 50 2HB PRO 50 -4.857 -11.805 7.030 236 HB3 PRO 50 3HB PRO 50 -3.548 -12.534 6.092 237 HG2 PRO 50 2HG PRO 50 -4.689 -9.771 5.922 238 HG3 PRO 50 3HG PRO 50 -2.992 -10.285 5.884 239 HD2 PRO 50 2HD PRO 50 -4.372 -9.649 3.643 240 HD3 PRO 50 3HD PRO 50 -3.090 -10.877 3.659 241 H GLY 51 H GLY 51 -6.794 -10.298 4.556 242 HA2 GLY 51 2HA GLY 51 -8.724 -10.420 6.569 243 HA3 GLY 51 3HA GLY 51 -8.904 -9.547 5.054 244 H VAL 52 H VAL 52 -8.651 -11.951 3.414 245 HA VAL 52 HA VAL 52 -11.218 -13.249 4.064 246 HB VAL 52 HB VAL 52 -11.387 -11.664 2.145 247 HG11 VAL 52 1HG1 VAL 52 -8.994 -12.279 1.378 248 HG12 VAL 52 2HG1 VAL 52 -9.784 -13.610 0.531 249 HG13 VAL 52 3HG1 VAL 52 -10.222 -11.942 0.158 250 HG21 VAL 52 1HG2 VAL 52 -12.883 -13.606 2.384 251 HG22 VAL 52 2HG2 VAL 52 -12.601 -13.182 0.695 252 HG23 VAL 52 3HG2 VAL 52 -11.770 -14.564 1.408 253 H VAL 53 H VAL 53 -11.436 -15.436 3.550 254 HA VAL 53 HA VAL 53 -8.895 -16.825 2.999 255 HB VAL 53 HB VAL 53 -10.057 -18.796 4.148 256 HG11 VAL 53 1HG1 VAL 53 -8.849 -16.394 5.341 257 HG12 VAL 53 2HG1 VAL 53 -9.709 -17.447 6.466 258 HG13 VAL 53 3HG1 VAL 53 -8.390 -18.090 5.487 259 HG21 VAL 53 1HG2 VAL 53 -11.786 -18.179 5.789 260 HG22 VAL 53 2HG2 VAL 53 -11.826 -16.550 5.115 261 HG23 VAL 53 3HG2 VAL 53 -12.322 -17.925 4.128 262 HA PRO 54 HA PRO 54 -10.604 -18.699 -0.583 263 HB2 PRO 54 2HB PRO 54 -9.434 -21.148 -0.522 264 HB3 PRO 54 3HB PRO 54 -8.549 -19.670 -0.916 265 HG2 PRO 54 2HG PRO 54 -8.686 -21.160 1.676 266 HG3 PRO 54 3HG PRO 54 -7.280 -20.436 0.875 267 HD2 PRO 54 2HD PRO 54 -8.565 -19.232 2.932 268 HD3 PRO 54 3HD PRO 54 -7.785 -18.317 1.626 269 H THR 55 H THR 55 -10.823 -20.517 2.429 270 HA THR 55 HA THR 55 -12.566 -22.538 1.669 271 HB THR 55 HB THR 55 -12.848 -21.195 4.341 272 HG1 THR 55 HG1 THR 55 -10.783 -23.049 3.748 273 HG21 THR 55 1HG2 THR 55 -13.147 -23.479 5.122 274 HG22 THR 55 2HG2 THR 55 -12.810 -24.098 3.506 275 HG23 THR 55 3HG2 THR 55 -14.262 -23.142 3.799 276 H ARG 56 H ARG 56 -13.287 -19.235 2.731 277 HA ARG 56 HA ARG 56 -15.996 -19.565 1.636 278 HB2 ARG 56 2HB ARG 56 -16.736 -17.969 3.494 279 HB3 ARG 56 3HB ARG 56 -16.402 -19.634 3.950 280 HG2 ARG 56 2HG ARG 56 -14.152 -18.926 4.707 281 HG3 ARG 56 3HG ARG 56 -14.605 -17.256 4.360 282 HD2 ARG 56 2HD ARG 56 -16.336 -17.309 6.004 283 HD3 ARG 56 3HD ARG 56 -16.144 -19.047 6.228 284 HE ARG 56 HE ARG 56 -13.712 -18.102 6.886 285 HH11 ARG 56 1HH1 ARG 56 -16.930 -17.205 7.863 286 HH12 ARG 56 2HH1 ARG 56 -16.445 -16.680 9.441 287 HH21 ARG 56 1HH2 ARG 56 -13.061 -17.414 8.961 288 HH22 ARG 56 2HH2 ARG 56 -14.244 -16.798 10.064 289 H LEU 57 H LEU 57 -15.528 -18.470 -0.247 290 HA LEU 57 HA LEU 57 -14.331 -15.823 -0.109 291 HB2 LEU 57 2HB LEU 57 -14.442 -15.884 -2.554 292 HB3 LEU 57 3HB LEU 57 -13.616 -17.291 -1.887 293 HG LEU 57 HG LEU 57 -16.007 -18.384 -2.148 294 HD11 LEU 57 1HD1 LEU 57 -16.819 -17.450 -4.462 295 HD12 LEU 57 2HD1 LEU 57 -16.081 -15.961 -3.875 296 HD13 LEU 57 3HD1 LEU 57 -17.371 -16.730 -2.950 297 HD21 LEU 57 1HD2 LEU 57 -15.311 -19.061 -4.475 298 HD22 LEU 57 2HD2 LEU 57 -14.106 -19.312 -3.212 299 HD23 LEU 57 3HD2 LEU 57 -13.961 -17.938 -4.310 300 H GLN 58 H GLN 58 -15.511 -14.342 -1.962 301 HA GLN 58 HA GLN 58 -18.369 -14.372 -1.827 302 HB2 GLN 58 2HB GLN 58 -18.575 -12.189 -0.640 303 HB3 GLN 58 3HB GLN 58 -18.011 -13.503 0.384 304 HG2 GLN 58 2HG GLN 58 -15.698 -12.688 0.086 305 HG3 GLN 58 3HG GLN 58 -16.331 -11.324 -0.833 306 HE21 GLN 58 1HE2 GLN 58 -17.659 -9.795 0.251 307 HE22 GLN 58 2HE2 GLN 58 -17.538 -9.579 1.961 308 H VAL 59 H VAL 59 -19.326 -12.479 -2.944 309 HA VAL 59 HA VAL 59 -17.525 -11.581 -5.082 310 HB VAL 59 HB VAL 59 -19.496 -11.170 -6.420 311 HG11 VAL 59 1HG1 VAL 59 -19.535 -13.851 -5.044 312 HG12 VAL 59 2HG1 VAL 59 -20.418 -13.481 -6.527 313 HG13 VAL 59 3HG1 VAL 59 -18.655 -13.414 -6.508 314 HG21 VAL 59 1HG2 VAL 59 -21.086 -10.364 -4.883 315 HG22 VAL 59 2HG2 VAL 59 -21.746 -11.889 -5.475 316 HG23 VAL 59 3HG2 VAL 59 -20.981 -11.816 -3.887 317 H GLY 60 H GLY 60 -17.176 -9.456 -5.510 318 HA2 GLY 60 2HA GLY 60 -17.577 -7.142 -5.416 319 HA3 GLY 60 3HA GLY 60 -18.790 -7.425 -4.176 320 H GLN 61 H GLN 61 -15.403 -8.473 -4.286 321 HA GLN 61 HA GLN 61 -14.855 -6.731 -1.983 322 HB2 GLN 61 2HB GLN 61 -15.280 -9.266 -1.492 323 HB3 GLN 61 3HB GLN 61 -13.654 -9.471 -2.129 324 HG2 GLN 61 2HG GLN 61 -12.704 -8.171 -0.416 325 HG3 GLN 61 3HG GLN 61 -14.274 -7.541 0.081 326 HE21 GLN 61 1HE2 GLN 61 -12.988 -10.793 -0.530 327 HE22 GLN 61 2HE2 GLN 61 -13.463 -11.452 0.994 328 H VAL 62 H VAL 62 -12.912 -5.724 -1.995 329 HA VAL 62 HA VAL 62 -11.287 -6.036 -4.398 330 HB VAL 62 HB VAL 62 -11.087 -3.963 -2.209 331 HG11 VAL 62 1HG1 VAL 62 -9.926 -2.779 -4.265 332 HG12 VAL 62 2HG1 VAL 62 -9.023 -3.841 -3.183 333 HG13 VAL 62 3HG1 VAL 62 -9.598 -4.446 -4.737 334 HG21 VAL 62 1HG2 VAL 62 -11.975 -2.928 -4.718 335 HG22 VAL 62 2HG2 VAL 62 -13.023 -4.264 -4.240 336 HG23 VAL 62 3HG2 VAL 62 -12.789 -2.894 -3.154 337 H ILE 63 H ILE 63 -9.373 -7.022 -4.427 338 HA ILE 63 HA ILE 63 -8.133 -7.715 -1.845 339 HB ILE 63 HB ILE 63 -7.067 -9.609 -3.028 340 HG12 ILE 63 2HG1 ILE 63 -8.977 -9.155 -5.301 341 HG13 ILE 63 3HG1 ILE 63 -7.387 -8.399 -5.311 342 HG21 ILE 63 1HG2 ILE 63 -10.073 -9.594 -3.263 343 HG22 ILE 63 2HG2 ILE 63 -9.037 -11.014 -3.127 344 HG23 ILE 63 3HG2 ILE 63 -9.171 -9.887 -1.777 345 HD11 ILE 63 1HD1 ILE 63 -7.774 -11.353 -4.961 346 HD12 ILE 63 2HD1 ILE 63 -7.595 -10.584 -6.539 347 HD13 ILE 63 3HD1 ILE 63 -6.292 -10.482 -5.355 348 H ASN 64 H ASN 64 -5.761 -7.917 -1.868 349 HA ASN 64 HA ASN 64 -4.589 -5.719 -3.393 350 HB2 ASN 64 2HB ASN 64 -3.937 -7.110 -0.846 351 HB3 ASN 64 3HB ASN 64 -2.590 -6.443 -1.763 352 HD21 ASN 64 1HD2 ASN 64 -4.975 -5.803 0.479 353 HD22 ASN 64 2HD2 ASN 64 -4.892 -4.077 0.467 354 H VAL 65 H VAL 65 -3.030 -5.965 -4.901 355 HA VAL 65 HA VAL 65 -1.734 -8.561 -5.231 356 HB VAL 65 HB VAL 65 -2.169 -8.369 -7.750 357 HG11 VAL 65 1HG1 VAL 65 -4.366 -9.088 -5.817 358 HG12 VAL 65 2HG1 VAL 65 -4.378 -9.509 -7.531 359 HG13 VAL 65 3HG1 VAL 65 -3.123 -10.153 -6.472 360 HG21 VAL 65 1HG2 VAL 65 -4.553 -6.773 -6.839 361 HG22 VAL 65 2HG2 VAL 65 -3.107 -6.036 -7.530 362 HG23 VAL 65 3HG2 VAL 65 -4.069 -7.159 -8.491 363 HA PRO 66 HA PRO 66 1.798 -6.179 -6.290 364 HB2 PRO 66 2HB PRO 66 3.058 -7.827 -8.040 365 HB3 PRO 66 3HB PRO 66 2.981 -8.148 -6.304 366 HG2 PRO 66 2HG PRO 66 1.315 -9.286 -8.516 367 HG3 PRO 66 3HG PRO 66 2.036 -10.109 -7.120 368 HD2 PRO 66 2HD PRO 66 -0.574 -9.394 -7.201 369 HD3 PRO 66 3HD PRO 66 0.361 -9.426 -5.692 370 H CYS 67 H CYS 67 1.396 -4.360 -7.425 371 HA CYS 67 HA CYS 67 0.150 -4.218 -9.932 372 HB2 CYS 67 2HB CYS 67 0.721 -2.380 -8.103 373 HB3 CYS 67 3HB CYS 67 2.116 -2.117 -9.144 Start of MODEL 12 1 H1 MET 19 H MET 19 1.414 -0.812 -1.463 2 HA MET 19 HA MET 19 2.861 1.325 -2.869 3 HB2 MET 19 2HB MET 19 3.728 -1.368 -1.831 4 HB3 MET 19 3HB MET 19 4.709 -0.440 -2.958 5 HG2 MET 19 2HG MET 19 5.196 1.187 -1.413 6 HG3 MET 19 3HG MET 19 3.759 0.852 -0.450 7 HE1 MET 19 1HE MET 19 5.388 0.701 2.051 8 HE2 MET 19 2HE MET 19 3.817 0.063 1.568 9 HE3 MET 19 3HE MET 19 4.987 -0.987 2.371 10 H GLY 20 H GLY 20 1.435 -1.875 -3.273 11 HA2 GLY 20 2HA GLY 20 2.155 -1.959 -6.089 12 HA3 GLY 20 3HA GLY 20 1.281 -3.196 -5.196 13 H CYS 21 H CYS 21 -0.656 -3.495 -6.057 14 HA CYS 21 HA CYS 21 -2.322 -1.146 -6.607 15 HB2 CYS 21 2HB CYS 21 -1.551 -3.300 -8.529 16 HB3 CYS 21 3HB CYS 21 -3.174 -2.626 -8.629 17 H THR 22 H THR 22 -4.632 -1.675 -6.766 18 HA THR 22 HA THR 22 -5.306 -4.061 -5.169 19 HB THR 22 HB THR 22 -7.075 -2.877 -4.102 20 HG1 THR 22 HG1 THR 22 -7.882 -1.019 -4.849 21 HG21 THR 22 1HG2 THR 22 -4.408 -2.117 -3.831 22 HG22 THR 22 2HG2 THR 22 -5.711 -1.831 -2.677 23 HG23 THR 22 3HG2 THR 22 -5.305 -0.600 -3.872 24 H TYR 23 H TYR 23 -7.149 -5.224 -5.713 25 HA TYR 23 HA TYR 23 -8.411 -4.498 -8.274 26 HB2 TYR 23 2HB TYR 23 -6.952 -6.341 -8.734 27 HB3 TYR 23 3HB TYR 23 -7.512 -7.217 -7.314 28 HD1 TYR 23 HD1 TYR 23 -8.266 -6.290 -10.769 29 HD2 TYR 23 HD2 TYR 23 -9.667 -8.358 -7.324 30 HE1 TYR 23 HE1 TYR 23 -9.958 -7.427 -12.146 31 HE2 TYR 23 HE2 TYR 23 -11.361 -9.502 -8.692 32 HH TYR 23 HH TYR 23 -11.448 -9.137 -12.193 33 H THR 24 H THR 24 -10.597 -4.976 -8.515 34 HA THR 24 HA THR 24 -12.016 -5.427 -5.983 35 HB THR 24 HB THR 24 -13.456 -4.517 -8.431 36 HG1 THR 24 HG1 THR 24 -11.470 -3.245 -8.234 37 HG21 THR 24 1HG2 THR 24 -15.047 -4.068 -6.936 38 HG22 THR 24 2HG2 THR 24 -13.947 -3.047 -6.011 39 HG23 THR 24 3HG2 THR 24 -14.021 -4.779 -5.691 40 H ILE 25 H ILE 25 -12.794 -7.395 -5.653 41 HA ILE 25 HA ILE 25 -13.169 -9.230 -7.866 42 HB ILE 25 HB ILE 25 -13.719 -9.744 -4.946 43 HG12 ILE 25 2HG1 ILE 25 -11.161 -10.188 -6.501 44 HG13 ILE 25 3HG1 ILE 25 -11.403 -8.968 -5.255 45 HG21 ILE 25 1HG2 ILE 25 -13.084 -11.632 -7.209 46 HG22 ILE 25 2HG2 ILE 25 -13.443 -12.076 -5.542 47 HG23 ILE 25 3HG2 ILE 25 -14.692 -11.340 -6.546 48 HD11 ILE 25 1HD1 ILE 25 -11.394 -11.953 -4.903 49 HD12 ILE 25 2HD1 ILE 25 -10.206 -10.794 -4.305 50 HD13 ILE 25 3HD1 ILE 25 -11.840 -10.807 -3.640 51 H GLN 26 H GLN 26 -14.989 -8.954 -9.003 52 HA GLN 26 HA GLN 26 -17.491 -8.420 -7.562 53 HB2 GLN 26 2HB GLN 26 -16.524 -7.851 -10.323 54 HB3 GLN 26 3HB GLN 26 -18.248 -8.114 -10.092 55 HG2 GLN 26 2HG GLN 26 -16.823 -6.193 -8.318 56 HG3 GLN 26 3HG GLN 26 -17.226 -5.714 -9.966 57 HE21 GLN 26 1HE2 GLN 26 -18.266 -5.628 -6.874 58 HE22 GLN 26 2HE2 GLN 26 -19.966 -5.463 -7.133 59 HA PRO 27 HA PRO 27 -19.471 -12.273 -8.164 60 HB2 PRO 27 2HB PRO 27 -21.422 -10.923 -9.969 61 HB3 PRO 27 3HB PRO 27 -21.715 -11.929 -8.546 62 HG2 PRO 27 2HG PRO 27 -21.967 -9.267 -8.439 63 HG3 PRO 27 3HG PRO 27 -21.322 -10.193 -7.071 64 HD2 PRO 27 2HD PRO 27 -19.923 -8.449 -9.007 65 HD3 PRO 27 3HD PRO 27 -19.548 -8.793 -7.306 66 H GLY 28 H GLY 28 -18.073 -13.494 -9.382 67 HA2 GLY 28 2HA GLY 28 -18.438 -14.785 -11.548 68 HA3 GLY 28 3HA GLY 28 -18.258 -13.214 -12.314 69 H ASP 29 H ASP 29 -16.179 -12.395 -10.375 70 HA ASP 29 HA ASP 29 -13.937 -13.575 -11.776 71 HB2 ASP 29 2HB ASP 29 -13.757 -11.546 -9.557 72 HB3 ASP 29 3HB ASP 29 -12.629 -11.823 -10.881 73 H THR 30 H THR 30 -12.633 -15.116 -11.024 74 HA THR 30 HA THR 30 -12.989 -15.981 -8.234 75 HB THR 30 HB THR 30 -12.317 -18.177 -8.874 76 HG1 THR 30 HG1 THR 30 -11.496 -18.634 -10.919 77 HG21 THR 30 1HG2 THR 30 -14.617 -17.087 -9.737 78 HG22 THR 30 2HG2 THR 30 -14.192 -18.778 -10.004 79 HG23 THR 30 3HG2 THR 30 -13.931 -17.590 -11.281 80 H PHE 31 H PHE 31 -11.158 -16.592 -7.001 81 HA PHE 31 HA PHE 31 -9.007 -14.864 -7.059 82 HB2 PHE 31 2HB PHE 31 -9.620 -17.411 -5.692 83 HB3 PHE 31 3HB PHE 31 -7.912 -16.995 -5.786 84 HD1 PHE 31 HD1 PHE 31 -7.290 -16.311 -3.672 85 HD2 PHE 31 HD2 PHE 31 -10.907 -14.829 -5.356 86 HE1 PHE 31 HE1 PHE 31 -7.556 -14.791 -1.755 87 HE2 PHE 31 HE2 PHE 31 -11.179 -13.307 -3.442 88 HZ PHE 31 HZ PHE 31 -9.501 -13.285 -1.639 89 H TRP 32 H TRP 32 -9.161 -18.189 -8.304 90 HA TRP 32 HA TRP 32 -6.506 -18.300 -9.233 91 HB2 TRP 32 2HB TRP 32 -7.832 -20.319 -8.933 92 HB3 TRP 32 3HB TRP 32 -8.961 -19.794 -10.179 93 HD1 TRP 32 HD1 TRP 32 -5.091 -20.231 -10.139 94 HE1 TRP 32 HE1 TRP 32 -4.431 -21.540 -12.254 95 HE3 TRP 32 HE3 TRP 32 -9.741 -20.924 -12.148 96 HZ2 TRP 32 HZ2 TRP 32 -5.712 -22.711 -14.480 97 HZ3 TRP 32 HZ3 TRP 32 -9.936 -22.149 -14.273 98 HH2 TRP 32 HH2 TRP 32 -7.963 -23.023 -15.414 99 H ALA 33 H ALA 33 -9.532 -17.678 -11.015 100 HA ALA 33 HA ALA 33 -8.478 -17.226 -13.523 101 HB1 ALA 33 1HB ALA 33 -10.475 -15.754 -13.890 102 HB2 ALA 33 2HB ALA 33 -10.837 -17.359 -13.252 103 HB3 ALA 33 3HB ALA 33 -10.855 -15.958 -12.180 104 H ILE 34 H ILE 34 -9.014 -14.832 -10.944 105 HA ILE 34 HA ILE 34 -7.996 -12.621 -12.355 106 HB ILE 34 HB ILE 34 -8.062 -13.070 -9.369 107 HG12 ILE 34 2HG1 ILE 34 -10.015 -11.458 -10.997 108 HG13 ILE 34 3HG1 ILE 34 -10.246 -13.184 -10.736 109 HG21 ILE 34 1HG2 ILE 34 -8.243 -10.440 -9.573 110 HG22 ILE 34 2HG2 ILE 34 -6.684 -11.259 -9.513 111 HG23 ILE 34 3HG2 ILE 34 -7.346 -10.738 -11.062 112 HD11 ILE 34 1HD1 ILE 34 -11.479 -11.669 -9.169 113 HD12 ILE 34 2HD1 ILE 34 -10.460 -12.886 -8.399 114 HD13 ILE 34 3HD1 ILE 34 -9.915 -11.212 -8.495 115 H ALA 35 H ALA 35 -6.449 -14.980 -10.230 116 HA ALA 35 HA ALA 35 -3.951 -13.768 -9.969 117 HB1 ALA 35 1HB ALA 35 -4.930 -15.883 -8.833 118 HB2 ALA 35 2HB ALA 35 -4.207 -16.738 -10.197 119 HB3 ALA 35 3HB ALA 35 -3.192 -15.780 -9.119 120 H GLN 36 H GLN 36 -4.893 -16.327 -12.275 121 HA GLN 36 HA GLN 36 -2.518 -16.298 -13.752 122 HB2 GLN 36 2HB GLN 36 -3.831 -17.421 -15.524 123 HB3 GLN 36 3HB GLN 36 -4.088 -18.132 -13.935 124 HG2 GLN 36 2HG GLN 36 -6.193 -16.904 -13.731 125 HG3 GLN 36 3HG GLN 36 -5.938 -16.213 -15.333 126 HE21 GLN 36 1HE2 GLN 36 -7.060 -18.886 -13.545 127 HE22 GLN 36 2HE2 GLN 36 -7.506 -19.889 -14.879 128 H ARG 37 H ARG 37 -5.248 -14.174 -13.790 129 HA ARG 37 HA ARG 37 -4.652 -13.034 -16.371 130 HB2 ARG 37 2HB ARG 37 -6.954 -13.170 -15.232 131 HB3 ARG 37 3HB ARG 37 -6.420 -11.797 -14.273 132 HG2 ARG 37 2HG ARG 37 -7.619 -10.839 -16.019 133 HG3 ARG 37 3HG ARG 37 -5.935 -10.660 -16.514 134 HD2 ARG 37 2HD ARG 37 -7.202 -11.407 -18.404 135 HD3 ARG 37 3HD ARG 37 -6.176 -12.735 -17.863 136 HE ARG 37 HE ARG 37 -8.839 -12.773 -16.766 137 HH11 ARG 37 1HH1 ARG 37 -6.794 -13.761 -19.404 138 HH12 ARG 37 2HH1 ARG 37 -7.809 -15.087 -19.866 139 HH21 ARG 37 1HH2 ARG 37 -10.184 -14.516 -17.364 140 HH22 ARG 37 2HH2 ARG 37 -9.737 -15.515 -18.705 141 H ARG 38 H ARG 38 -3.843 -12.412 -13.046 142 HA ARG 38 HA ARG 38 -2.589 -9.861 -13.778 143 HB2 ARG 38 2HB ARG 38 -3.132 -11.047 -11.050 144 HB3 ARG 38 3HB ARG 38 -2.415 -9.470 -11.351 145 HG2 ARG 38 2HG ARG 38 -5.085 -10.108 -12.512 146 HG3 ARG 38 3HG ARG 38 -4.952 -9.688 -10.803 147 HD2 ARG 38 2HD ARG 38 -3.989 -8.021 -13.125 148 HD3 ARG 38 3HD ARG 38 -5.435 -7.720 -12.163 149 HE ARG 38 HE ARG 38 -3.220 -7.830 -10.450 150 HH11 ARG 38 1HH1 ARG 38 -4.558 -5.820 -12.958 151 HH12 ARG 38 2HH1 ARG 38 -3.862 -4.359 -12.339 152 HH21 ARG 38 1HH2 ARG 38 -2.299 -5.913 -9.625 153 HH22 ARG 38 2HH2 ARG 38 -2.576 -4.413 -10.443 154 H GLY 39 H GLY 39 -1.545 -12.584 -14.413 155 HA2 GLY 39 2HA GLY 39 0.450 -13.723 -14.379 156 HA3 GLY 39 3HA GLY 39 1.165 -12.143 -14.097 157 H THR 40 H THR 40 -0.776 -14.458 -12.197 158 HA THR 40 HA THR 40 1.344 -14.878 -10.317 159 HB THR 40 HB THR 40 0.466 -12.629 -9.623 160 HG1 THR 40 HG1 THR 40 0.983 -13.217 -7.652 161 HG21 THR 40 1HG2 THR 40 -1.978 -14.167 -8.750 162 HG22 THR 40 2HG2 THR 40 -1.923 -13.160 -10.197 163 HG23 THR 40 3HG2 THR 40 -1.688 -12.433 -8.608 164 H THR 41 H THR 41 0.305 -16.010 -8.256 165 HA THR 41 HA THR 41 -1.744 -17.886 -9.243 166 HB THR 41 HB THR 41 -0.608 -19.532 -7.602 167 HG1 THR 41 HG1 THR 41 1.257 -18.934 -6.792 168 HG21 THR 41 1HG2 THR 41 1.367 -19.455 -9.620 169 HG22 THR 41 2HG2 THR 41 -0.136 -18.890 -10.350 170 HG23 THR 41 3HG2 THR 41 -0.078 -20.463 -9.554 171 H VAL 42 H VAL 42 -2.869 -19.062 -7.427 172 HA VAL 42 HA VAL 42 -4.231 -17.294 -5.787 173 HB VAL 42 HB VAL 42 -3.820 -20.251 -5.324 174 HG11 VAL 42 1HG1 VAL 42 -4.674 -19.338 -3.319 175 HG12 VAL 42 2HG1 VAL 42 -5.788 -18.280 -4.188 176 HG13 VAL 42 3HG1 VAL 42 -6.060 -20.023 -4.167 177 HG21 VAL 42 1HG2 VAL 42 -5.809 -18.703 -6.960 178 HG22 VAL 42 2HG2 VAL 42 -4.745 -20.010 -7.478 179 HG23 VAL 42 3HG2 VAL 42 -6.113 -20.354 -6.419 180 H ASP 43 H ASP 43 -1.288 -19.099 -5.173 181 HA ASP 43 HA ASP 43 -1.078 -18.919 -2.429 182 HB2 ASP 43 2HB ASP 43 0.513 -20.075 -4.022 183 HB3 ASP 43 3HB ASP 43 1.238 -18.498 -4.321 184 H VAL 44 H VAL 44 -0.143 -16.501 -4.854 185 HA VAL 44 HA VAL 44 0.678 -14.599 -2.851 186 HB VAL 44 HB VAL 44 0.186 -14.079 -5.783 187 HG11 VAL 44 1HG1 VAL 44 0.539 -11.985 -5.039 188 HG12 VAL 44 2HG1 VAL 44 1.291 -12.532 -3.540 189 HG13 VAL 44 3HG1 VAL 44 2.232 -12.476 -5.031 190 HG21 VAL 44 1HG2 VAL 44 1.732 -15.854 -5.765 191 HG22 VAL 44 2HG2 VAL 44 2.707 -14.394 -5.935 192 HG23 VAL 44 3HG2 VAL 44 2.592 -15.200 -4.371 193 H ILE 45 H ILE 45 -2.077 -14.993 -5.043 194 HA ILE 45 HA ILE 45 -3.401 -12.604 -4.524 195 HB ILE 45 HB ILE 45 -4.603 -15.311 -5.118 196 HG12 ILE 45 2HG1 ILE 45 -3.052 -14.547 -6.846 197 HG13 ILE 45 3HG1 ILE 45 -4.709 -14.471 -7.435 198 HG21 ILE 45 1HG2 ILE 45 -6.550 -13.990 -5.928 199 HG22 ILE 45 2HG2 ILE 45 -6.301 -13.902 -4.185 200 HG23 ILE 45 3HG2 ILE 45 -5.815 -12.555 -5.214 201 HD11 ILE 45 1HD1 ILE 45 -4.633 -12.010 -6.732 202 HD12 ILE 45 2HD1 ILE 45 -2.885 -12.232 -6.665 203 HD13 ILE 45 3HD1 ILE 45 -3.750 -12.496 -8.179 204 H GLN 46 H GLN 46 -3.110 -15.473 -2.585 205 HA GLN 46 HA GLN 46 -5.158 -14.529 -0.721 206 HB2 GLN 46 2HB GLN 46 -5.327 -16.862 -1.249 207 HB3 GLN 46 3HB GLN 46 -3.622 -17.120 -0.908 208 HG2 GLN 46 2HG GLN 46 -3.930 -17.168 1.339 209 HG3 GLN 46 3HG GLN 46 -5.302 -16.061 1.287 210 HE21 GLN 46 1HE2 GLN 46 -4.729 -19.101 -0.427 211 HE22 GLN 46 2HE2 GLN 46 -6.117 -19.919 0.197 212 H SER 47 H SER 47 -1.712 -15.319 -0.852 213 HA SER 47 HA SER 47 -1.038 -14.939 1.807 214 HB2 SER 47 2HB SER 47 0.592 -15.820 0.277 215 HB3 SER 47 3HB SER 47 0.549 -14.352 -0.700 216 HG SER 47 HG SER 47 2.336 -14.226 0.607 217 H LEU 48 H LEU 48 -1.461 -12.555 -0.758 218 HA LEU 48 HA LEU 48 -0.552 -10.333 0.770 219 HB2 LEU 48 2HB LEU 48 -2.200 -10.577 -1.731 220 HB3 LEU 48 3HB LEU 48 -1.804 -9.018 -1.011 221 HG LEU 48 HG LEU 48 0.346 -10.962 -1.789 222 HD11 LEU 48 1HD1 LEU 48 -0.802 -10.743 -3.823 223 HD12 LEU 48 2HD1 LEU 48 0.498 -9.554 -3.901 224 HD13 LEU 48 3HD1 LEU 48 -1.150 -9.037 -3.542 225 HD21 LEU 48 1HD2 LEU 48 1.051 -8.274 -2.206 226 HD22 LEU 48 2HD2 LEU 48 1.630 -9.361 -0.944 227 HD23 LEU 48 3HD2 LEU 48 0.225 -8.336 -0.649 228 H ASN 49 H ASN 49 -3.533 -12.055 0.573 229 HA ASN 49 HA ASN 49 -4.730 -10.138 2.449 230 HB2 ASN 49 2HB ASN 49 -6.375 -11.544 0.353 231 HB3 ASN 49 3HB ASN 49 -6.827 -10.170 1.358 232 HD21 ASN 49 1HD2 ASN 49 -5.070 -11.225 -1.440 233 HD22 ASN 49 2HD2 ASN 49 -4.803 -9.657 -2.116 234 HA PRO 50 HA PRO 50 -4.792 -14.479 4.098 235 HB2 PRO 50 2HB PRO 50 -3.903 -13.800 6.572 236 HB3 PRO 50 3HB PRO 50 -2.816 -14.157 5.225 237 HG2 PRO 50 2HG PRO 50 -3.703 -11.504 6.290 238 HG3 PRO 50 3HG PRO 50 -2.085 -12.020 5.779 239 HD2 PRO 50 2HD PRO 50 -3.704 -10.529 4.202 240 HD3 PRO 50 3HD PRO 50 -2.555 -11.711 3.544 241 H GLY 51 H GLY 51 -6.173 -11.438 4.952 242 HA2 GLY 51 2HA GLY 51 -7.759 -12.247 7.153 243 HA3 GLY 51 3HA GLY 51 -8.057 -10.852 6.127 244 H VAL 52 H VAL 52 -8.056 -12.832 3.780 245 HA VAL 52 HA VAL 52 -10.777 -13.880 4.219 246 HB VAL 52 HB VAL 52 -10.758 -11.885 2.733 247 HG11 VAL 52 1HG1 VAL 52 -8.564 -12.210 1.721 248 HG12 VAL 52 2HG1 VAL 52 -9.147 -13.661 0.902 249 HG13 VAL 52 3HG1 VAL 52 -9.815 -12.082 0.485 250 HG21 VAL 52 1HG2 VAL 52 -11.486 -14.408 1.255 251 HG22 VAL 52 2HG2 VAL 52 -12.448 -13.721 2.564 252 HG23 VAL 52 3HG2 VAL 52 -12.210 -12.810 1.073 253 H VAL 53 H VAL 53 -11.329 -15.805 3.127 254 HA VAL 53 HA VAL 53 -9.069 -17.297 1.973 255 HB VAL 53 HB VAL 53 -10.145 -19.363 3.042 256 HG11 VAL 53 1HG1 VAL 53 -8.263 -19.183 4.209 257 HG12 VAL 53 2HG1 VAL 53 -8.289 -17.424 4.067 258 HG13 VAL 53 3HG1 VAL 53 -9.143 -18.215 5.393 259 HG21 VAL 53 1HG2 VAL 53 -12.239 -18.333 3.721 260 HG22 VAL 53 2HG2 VAL 53 -11.372 -18.947 5.130 261 HG23 VAL 53 3HG2 VAL 53 -11.370 -17.219 4.776 262 HA PRO 54 HA PRO 54 -11.747 -18.380 -1.332 263 HB2 PRO 54 2HB PRO 54 -10.865 -20.873 -1.948 264 HB3 PRO 54 3HB PRO 54 -9.940 -19.411 -2.308 265 HG2 PRO 54 2HG PRO 54 -9.639 -21.331 -0.030 266 HG3 PRO 54 3HG PRO 54 -8.384 -20.570 -1.026 267 HD2 PRO 54 2HD PRO 54 -9.025 -19.672 1.447 268 HD3 PRO 54 3HD PRO 54 -8.472 -18.591 0.152 269 H THR 55 H THR 55 -11.616 -20.391 1.495 270 HA THR 55 HA THR 55 -13.602 -22.269 0.860 271 HB THR 55 HB THR 55 -13.948 -22.225 3.460 272 HG1 THR 55 HG1 THR 55 -12.087 -21.325 4.500 273 HG21 THR 55 1HG2 THR 55 -12.254 -23.807 3.681 274 HG22 THR 55 2HG2 THR 55 -11.183 -22.960 2.565 275 HG23 THR 55 3HG2 THR 55 -12.586 -23.832 1.950 276 H ARG 56 H ARG 56 -13.798 -18.992 2.119 277 HA ARG 56 HA ARG 56 -16.731 -19.149 1.878 278 HB2 ARG 56 2HB ARG 56 -16.740 -17.308 3.646 279 HB3 ARG 56 3HB ARG 56 -16.349 -18.933 4.191 280 HG2 ARG 56 2HG ARG 56 -14.092 -18.427 4.474 281 HG3 ARG 56 3HG ARG 56 -14.196 -16.983 3.464 282 HD2 ARG 56 2HD ARG 56 -15.536 -15.869 5.150 283 HD3 ARG 56 3HD ARG 56 -15.537 -17.325 6.143 284 HE ARG 56 HE ARG 56 -13.423 -15.392 5.900 285 HH11 ARG 56 1HH1 ARG 56 -14.221 -18.682 6.708 286 HH12 ARG 56 2HH1 ARG 56 -12.827 -18.912 7.711 287 HH21 ARG 56 1HH2 ARG 56 -11.583 -15.681 7.217 288 HH22 ARG 56 2HH2 ARG 56 -11.327 -17.204 8.000 289 H LEU 57 H LEU 57 -15.544 -18.522 -0.369 290 HA LEU 57 HA LEU 57 -14.658 -15.944 -0.848 291 HB2 LEU 57 2HB LEU 57 -14.813 -17.975 -2.419 292 HB3 LEU 57 3HB LEU 57 -16.440 -17.398 -2.773 293 HG LEU 57 HG LEU 57 -15.385 -15.217 -3.480 294 HD11 LEU 57 1HD1 LEU 57 -13.049 -15.159 -3.977 295 HD12 LEU 57 2HD1 LEU 57 -12.851 -16.844 -3.498 296 HD13 LEU 57 3HD1 LEU 57 -13.236 -15.623 -2.286 297 HD21 LEU 57 1HD2 LEU 57 -15.724 -16.061 -5.501 298 HD22 LEU 57 2HD2 LEU 57 -15.636 -17.693 -4.839 299 HD23 LEU 57 3HD2 LEU 57 -14.173 -16.897 -5.423 300 H GLN 58 H GLN 58 -15.704 -14.075 -1.698 301 HA GLN 58 HA GLN 58 -18.600 -13.911 -1.369 302 HB2 GLN 58 2HB GLN 58 -17.451 -13.258 0.800 303 HB3 GLN 58 3HB GLN 58 -16.786 -11.881 -0.069 304 HG2 GLN 58 2HG GLN 58 -19.054 -11.102 -0.559 305 HG3 GLN 58 3HG GLN 58 -19.709 -12.472 0.336 306 HE21 GLN 58 1HE2 GLN 58 -17.856 -9.511 0.595 307 HE22 GLN 58 2HE2 GLN 58 -18.133 -9.259 2.281 308 H VAL 59 H VAL 59 -19.466 -12.875 -3.036 309 HA VAL 59 HA VAL 59 -17.806 -11.577 -4.981 310 HB VAL 59 HB VAL 59 -19.829 -11.257 -6.270 311 HG11 VAL 59 1HG1 VAL 59 -20.433 -13.525 -6.619 312 HG12 VAL 59 2HG1 VAL 59 -18.746 -13.527 -6.099 313 HG13 VAL 59 3HG1 VAL 59 -20.022 -13.961 -4.960 314 HG21 VAL 59 1HG2 VAL 59 -21.996 -12.189 -5.209 315 HG22 VAL 59 2HG2 VAL 59 -21.180 -11.895 -3.674 316 HG23 VAL 59 3HG2 VAL 59 -21.474 -10.559 -4.786 317 H GLY 60 H GLY 60 -17.520 -9.444 -5.360 318 HA2 GLY 60 2HA GLY 60 -17.978 -7.149 -5.247 319 HA3 GLY 60 3HA GLY 60 -19.239 -7.481 -4.070 320 H GLN 61 H GLN 61 -15.821 -8.424 -4.019 321 HA GLN 61 HA GLN 61 -15.439 -6.681 -1.684 322 HB2 GLN 61 2HB GLN 61 -15.830 -9.161 -1.133 323 HB3 GLN 61 3HB GLN 61 -14.241 -9.437 -1.835 324 HG2 GLN 61 2HG GLN 61 -13.438 -7.631 -0.189 325 HG3 GLN 61 3HG GLN 61 -14.968 -7.922 0.638 326 HE21 GLN 61 1HE2 GLN 61 -11.949 -9.369 -0.384 327 HE22 GLN 61 2HE2 GLN 61 -11.971 -10.676 0.746 328 H VAL 62 H VAL 62 -13.529 -5.617 -1.595 329 HA VAL 62 HA VAL 62 -11.815 -5.789 -3.934 330 HB VAL 62 HB VAL 62 -11.614 -3.897 -1.588 331 HG11 VAL 62 1HG1 VAL 62 -9.552 -3.864 -2.693 332 HG12 VAL 62 2HG1 VAL 62 -10.301 -4.014 -4.284 333 HG13 VAL 62 3HG1 VAL 62 -10.435 -2.503 -3.384 334 HG21 VAL 62 1HG2 VAL 62 -13.417 -3.962 -3.891 335 HG22 VAL 62 2HG2 VAL 62 -13.547 -3.073 -2.373 336 HG23 VAL 62 3HG2 VAL 62 -12.563 -2.432 -3.688 337 H ILE 63 H ILE 63 -9.593 -6.174 -3.881 338 HA ILE 63 HA ILE 63 -8.431 -7.111 -1.365 339 HB ILE 63 HB ILE 63 -7.488 -9.112 -2.466 340 HG12 ILE 63 2HG1 ILE 63 -9.495 -8.875 -4.662 341 HG13 ILE 63 3HG1 ILE 63 -7.992 -7.970 -4.811 342 HG21 ILE 63 1HG2 ILE 63 -10.499 -9.023 -2.576 343 HG22 ILE 63 2HG2 ILE 63 -9.493 -10.456 -2.372 344 HG23 ILE 63 3HG2 ILE 63 -9.545 -9.228 -1.107 345 HD11 ILE 63 1HD1 ILE 63 -7.407 -10.650 -4.023 346 HD12 ILE 63 2HD1 ILE 63 -8.461 -10.662 -5.437 347 HD13 ILE 63 3HD1 ILE 63 -6.932 -9.785 -5.484 348 H ASN 64 H ASN 64 -6.019 -7.783 -1.872 349 HA ASN 64 HA ASN 64 -4.879 -5.566 -3.433 350 HB2 ASN 64 2HB ASN 64 -4.040 -6.966 -0.935 351 HB3 ASN 64 3HB ASN 64 -2.782 -6.319 -1.984 352 HD21 ASN 64 1HD2 ASN 64 -4.233 -5.628 0.709 353 HD22 ASN 64 2HD2 ASN 64 -4.390 -3.911 0.605 354 H VAL 65 H VAL 65 -3.431 -5.937 -5.036 355 HA VAL 65 HA VAL 65 -2.426 -8.658 -5.441 356 HB VAL 65 HB VAL 65 -2.928 -8.350 -7.936 357 HG11 VAL 65 1HG1 VAL 65 -5.131 -9.345 -7.714 358 HG12 VAL 65 2HG1 VAL 65 -4.044 -9.989 -6.481 359 HG13 VAL 65 3HG1 VAL 65 -5.245 -8.770 -6.051 360 HG21 VAL 65 1HG2 VAL 65 -5.045 -6.485 -6.883 361 HG22 VAL 65 2HG2 VAL 65 -3.561 -5.934 -7.659 362 HG23 VAL 65 3HG2 VAL 65 -4.718 -6.911 -8.563 363 HA PRO 66 HA PRO 66 1.327 -6.692 -6.590 364 HB2 PRO 66 2HB PRO 66 2.312 -8.435 -8.423 365 HB3 PRO 66 3HB PRO 66 2.261 -8.789 -6.692 366 HG2 PRO 66 2HG PRO 66 0.389 -9.660 -8.859 367 HG3 PRO 66 3HG PRO 66 1.055 -10.600 -7.511 368 HD2 PRO 66 2HD PRO 66 -1.450 -9.574 -7.473 369 HD3 PRO 66 3HD PRO 66 -0.471 -9.757 -6.003 370 H CYS 67 H CYS 67 1.184 -4.822 -7.685 371 HA CYS 67 HA CYS 67 -0.119 -4.526 -10.186 372 HB2 CYS 67 2HB CYS 67 0.496 -2.773 -8.302 373 HB3 CYS 67 3HB CYS 67 1.944 -2.564 -9.281 Start of MODEL 13 1 H1 MET 19 H MET 19 3.084 1.777 -1.247 2 HA MET 19 HA MET 19 2.703 1.716 -4.066 3 HB2 MET 19 2HB MET 19 4.477 0.311 -2.121 4 HB3 MET 19 3HB MET 19 4.309 -0.366 -3.735 5 HG2 MET 19 2HG MET 19 5.310 1.447 -4.747 6 HG3 MET 19 3HG MET 19 4.952 2.526 -3.401 7 HE1 MET 19 1HE MET 19 6.853 -1.087 -2.492 8 HE2 MET 19 2HE MET 19 6.486 -0.780 -4.190 9 HE3 MET 19 3HE MET 19 8.153 -0.698 -3.619 10 H GLY 20 H GLY 20 2.455 -0.392 -5.272 11 HA2 GLY 20 2HA GLY 20 1.423 -2.466 -5.594 12 HA3 GLY 20 3HA GLY 20 0.836 -2.405 -3.938 13 H CYS 21 H CYS 21 -0.755 -3.219 -6.084 14 HA CYS 21 HA CYS 21 -2.684 -0.996 -6.248 15 HB2 CYS 21 2HB CYS 21 -1.909 -3.060 -8.292 16 HB3 CYS 21 3HB CYS 21 -3.481 -2.270 -8.359 17 H THR 22 H THR 22 -4.959 -1.695 -6.453 18 HA THR 22 HA THR 22 -5.445 -4.203 -4.981 19 HB THR 22 HB THR 22 -7.446 -3.138 -4.004 20 HG1 THR 22 HG1 THR 22 -6.427 -0.731 -5.144 21 HG21 THR 22 1HG2 THR 22 -4.723 -1.995 -3.545 22 HG22 THR 22 2HG2 THR 22 -5.689 -3.042 -2.506 23 HG23 THR 22 3HG2 THR 22 -6.101 -1.335 -2.665 24 H TYR 23 H TYR 23 -7.183 -5.473 -5.597 25 HA TYR 23 HA TYR 23 -8.454 -4.723 -8.148 26 HB2 TYR 23 2HB TYR 23 -6.970 -6.562 -8.549 27 HB3 TYR 23 3HB TYR 23 -7.578 -7.435 -7.146 28 HD1 TYR 23 HD1 TYR 23 -9.734 -8.574 -7.227 29 HD2 TYR 23 HD2 TYR 23 -8.206 -6.526 -10.630 30 HE1 TYR 23 HE1 TYR 23 -11.379 -9.722 -8.650 31 HE2 TYR 23 HE2 TYR 23 -9.848 -7.668 -12.061 32 HH TYR 23 HH TYR 23 -11.202 -10.126 -11.708 33 H THR 24 H THR 24 -10.631 -4.964 -8.356 34 HA THR 24 HA THR 24 -12.107 -5.517 -5.890 35 HB THR 24 HB THR 24 -13.442 -4.514 -8.370 36 HG1 THR 24 HG1 THR 24 -11.589 -3.114 -6.767 37 HG21 THR 24 1HG2 THR 24 -14.049 -4.775 -5.571 38 HG22 THR 24 2HG2 THR 24 -15.114 -4.337 -6.907 39 HG23 THR 24 3HG2 THR 24 -14.191 -3.090 -6.068 40 H ILE 25 H ILE 25 -12.794 -7.533 -5.626 41 HA ILE 25 HA ILE 25 -13.170 -9.316 -7.856 42 HB ILE 25 HB ILE 25 -13.882 -9.829 -4.970 43 HG12 ILE 25 2HG1 ILE 25 -11.256 -10.314 -6.394 44 HG13 ILE 25 3HG1 ILE 25 -11.539 -9.101 -5.151 45 HG21 ILE 25 1HG2 ILE 25 -14.410 -11.890 -5.613 46 HG22 ILE 25 2HG2 ILE 25 -14.292 -11.330 -7.281 47 HG23 ILE 25 3HG2 ILE 25 -12.895 -12.066 -6.497 48 HD11 ILE 25 1HD1 ILE 25 -11.479 -12.083 -4.865 49 HD12 ILE 25 2HD1 ILE 25 -10.472 -10.875 -4.065 50 HD13 ILE 25 3HD1 ILE 25 -12.175 -11.031 -3.633 51 H GLN 26 H GLN 26 -14.907 -8.806 -9.087 52 HA GLN 26 HA GLN 26 -17.472 -8.290 -7.778 53 HB2 GLN 26 2HB GLN 26 -16.412 -7.829 -10.545 54 HB3 GLN 26 3HB GLN 26 -18.147 -7.875 -10.262 55 HG2 GLN 26 2HG GLN 26 -16.532 -6.135 -8.496 56 HG3 GLN 26 3HG GLN 26 -16.735 -5.631 -10.173 57 HE21 GLN 26 1HE2 GLN 26 -18.331 -4.258 -10.416 58 HE22 GLN 26 2HE2 GLN 26 -19.823 -4.255 -9.545 59 HA PRO 27 HA PRO 27 -19.468 -12.108 -8.534 60 HB2 PRO 27 2HB PRO 27 -21.421 -10.680 -10.270 61 HB3 PRO 27 3HB PRO 27 -21.708 -11.712 -8.864 62 HG2 PRO 27 2HG PRO 27 -21.942 -9.066 -8.677 63 HG3 PRO 27 3HG PRO 27 -21.236 -10.014 -7.355 64 HD2 PRO 27 2HD PRO 27 -19.896 -8.291 -9.387 65 HD3 PRO 27 3HD PRO 27 -19.494 -8.544 -7.676 66 H GLY 28 H GLY 28 -17.982 -13.201 -9.820 67 HA2 GLY 28 2HA GLY 28 -18.469 -14.406 -12.064 68 HA3 GLY 28 3HA GLY 28 -18.168 -12.806 -12.727 69 H ASP 29 H ASP 29 -16.120 -12.426 -10.500 70 HA ASP 29 HA ASP 29 -13.911 -13.620 -11.985 71 HB2 ASP 29 2HB ASP 29 -13.587 -11.759 -9.649 72 HB3 ASP 29 3HB ASP 29 -12.526 -11.991 -11.035 73 H THR 30 H THR 30 -12.365 -14.956 -11.082 74 HA THR 30 HA THR 30 -12.994 -16.034 -8.410 75 HB THR 30 HB THR 30 -11.969 -18.211 -9.338 76 HG1 THR 30 HG1 THR 30 -11.849 -18.408 -11.498 77 HG21 THR 30 1HG2 THR 30 -14.337 -17.958 -8.757 78 HG22 THR 30 2HG2 THR 30 -14.137 -18.956 -10.197 79 HG23 THR 30 3HG2 THR 30 -14.658 -17.279 -10.351 80 H PHE 31 H PHE 31 -11.130 -17.141 -7.370 81 HA PHE 31 HA PHE 31 -8.948 -15.456 -7.097 82 HB2 PHE 31 2HB PHE 31 -9.532 -18.266 -6.306 83 HB3 PHE 31 3HB PHE 31 -7.859 -17.726 -6.210 84 HD1 PHE 31 HD1 PHE 31 -7.855 -15.115 -5.214 85 HD2 PHE 31 HD2 PHE 31 -10.559 -18.261 -4.266 86 HE1 PHE 31 HE1 PHE 31 -8.321 -14.055 -3.042 87 HE2 PHE 31 HE2 PHE 31 -11.030 -17.207 -2.093 88 HZ PHE 31 HZ PHE 31 -9.911 -15.101 -1.479 89 H TRP 32 H TRP 32 -8.947 -18.645 -8.699 90 HA TRP 32 HA TRP 32 -6.390 -18.570 -9.734 91 HB2 TRP 32 2HB TRP 32 -8.105 -20.482 -9.777 92 HB3 TRP 32 3HB TRP 32 -8.702 -19.749 -11.263 93 HD1 TRP 32 HD1 TRP 32 -5.064 -20.471 -10.092 94 HE1 TRP 32 HE1 TRP 32 -3.882 -21.779 -11.967 95 HE3 TRP 32 HE3 TRP 32 -8.962 -20.888 -13.373 96 HZ2 TRP 32 HZ2 TRP 32 -4.517 -22.845 -14.502 97 HZ3 TRP 32 HZ3 TRP 32 -8.592 -22.066 -15.501 98 HH2 TRP 32 HH2 TRP 32 -6.415 -23.024 -16.052 99 H ALA 33 H ALA 33 -9.388 -17.422 -11.262 100 HA ALA 33 HA ALA 33 -8.390 -16.613 -13.703 101 HB1 ALA 33 1HB ALA 33 -10.734 -16.572 -13.349 102 HB2 ALA 33 2HB ALA 33 -10.581 -15.423 -12.018 103 HB3 ALA 33 3HB ALA 33 -10.241 -14.909 -13.671 104 H ILE 34 H ILE 34 -8.841 -14.490 -10.866 105 HA ILE 34 HA ILE 34 -7.588 -12.238 -11.862 106 HB ILE 34 HB ILE 34 -7.562 -13.201 -8.999 107 HG12 ILE 34 2HG1 ILE 34 -9.446 -11.194 -10.221 108 HG13 ILE 34 3HG1 ILE 34 -9.808 -12.916 -10.224 109 HG21 ILE 34 1HG2 ILE 34 -7.623 -10.425 -9.049 110 HG22 ILE 34 2HG2 ILE 34 -6.249 -11.445 -8.623 111 HG23 ILE 34 3HG2 ILE 34 -6.437 -10.866 -10.278 112 HD11 ILE 34 1HD1 ILE 34 -10.917 -11.932 -8.370 113 HD12 ILE 34 2HD1 ILE 34 -9.572 -12.884 -7.741 114 HD13 ILE 34 3HD1 ILE 34 -9.441 -11.128 -7.838 115 H ALA 35 H ALA 35 -6.150 -14.996 -10.164 116 HA ALA 35 HA ALA 35 -3.557 -14.062 -9.870 117 HB1 ALA 35 1HB ALA 35 -3.300 -16.775 -10.478 118 HB2 ALA 35 2HB ALA 35 -3.465 -16.047 -8.879 119 HB3 ALA 35 3HB ALA 35 -4.896 -16.606 -9.745 120 H GLN 36 H GLN 36 -4.735 -16.158 -12.512 121 HA GLN 36 HA GLN 36 -2.452 -16.051 -14.087 122 HB2 GLN 36 2HB GLN 36 -5.302 -16.250 -15.074 123 HB3 GLN 36 3HB GLN 36 -3.860 -16.770 -15.936 124 HG2 GLN 36 2HG GLN 36 -3.451 -18.495 -14.307 125 HG3 GLN 36 3HG GLN 36 -4.800 -17.929 -13.324 126 HE21 GLN 36 1HE2 GLN 36 -6.936 -18.160 -14.163 127 HE22 GLN 36 2HE2 GLN 36 -7.292 -19.399 -15.313 128 H ARG 37 H ARG 37 -4.952 -13.696 -13.627 129 HA ARG 37 HA ARG 37 -4.287 -12.157 -15.972 130 HB2 ARG 37 2HB ARG 37 -6.557 -12.300 -14.673 131 HB3 ARG 37 3HB ARG 37 -5.837 -11.058 -13.657 132 HG2 ARG 37 2HG ARG 37 -7.114 -9.922 -15.271 133 HG3 ARG 37 3HG ARG 37 -5.432 -9.740 -15.772 134 HD2 ARG 37 2HD ARG 37 -5.929 -11.896 -17.168 135 HD3 ARG 37 3HD ARG 37 -7.608 -11.391 -16.977 136 HE ARG 37 HE ARG 37 -6.040 -9.221 -17.871 137 HH11 ARG 37 1HH1 ARG 37 -7.404 -12.230 -18.968 138 HH12 ARG 37 2HH1 ARG 37 -7.519 -11.726 -20.621 139 HH21 ARG 37 1HH2 ARG 37 -6.186 -8.545 -20.045 140 HH22 ARG 37 2HH2 ARG 37 -6.825 -9.630 -21.233 141 H ARG 38 H ARG 38 -3.360 -12.244 -12.620 142 HA ARG 38 HA ARG 38 -1.903 -9.716 -12.881 143 HB2 ARG 38 2HB ARG 38 -2.328 -11.447 -10.438 144 HB3 ARG 38 3HB ARG 38 -1.587 -9.852 -10.462 145 HG2 ARG 38 2HG ARG 38 -4.319 -10.090 -11.577 146 HG3 ARG 38 3HG ARG 38 -4.135 -10.242 -9.828 147 HD2 ARG 38 2HD ARG 38 -4.466 -7.968 -10.099 148 HD3 ARG 38 3HD ARG 38 -2.708 -8.092 -10.039 149 HE ARG 38 HE ARG 38 -2.630 -7.331 -12.190 150 HH11 ARG 38 1HH1 ARG 38 -5.845 -8.492 -11.528 151 HH12 ARG 38 2HH1 ARG 38 -6.494 -7.944 -13.037 152 HH21 ARG 38 1HH2 ARG 38 -3.473 -6.605 -14.180 153 HH22 ARG 38 2HH2 ARG 38 -5.144 -6.871 -14.546 154 H GLY 39 H GLY 39 -1.137 -12.313 -14.164 155 HA2 GLY 39 2HA GLY 39 0.753 -13.566 -14.529 156 HA3 GLY 39 3HA GLY 39 1.615 -12.135 -13.984 157 H THR 40 H THR 40 -0.588 -13.836 -11.888 158 HA THR 40 HA THR 40 1.658 -15.122 -10.505 159 HB THR 40 HB THR 40 1.120 -12.909 -9.418 160 HG1 THR 40 HG1 THR 40 2.052 -14.754 -8.293 161 HG21 THR 40 1HG2 THR 40 -0.955 -12.380 -8.782 162 HG22 THR 40 2HG2 THR 40 -1.167 -13.927 -7.963 163 HG23 THR 40 3HG2 THR 40 -1.508 -13.787 -9.688 164 H THR 41 H THR 41 0.538 -16.341 -8.469 165 HA THR 41 HA THR 41 -1.651 -17.927 -9.644 166 HB THR 41 HB THR 41 -0.848 -19.831 -8.311 167 HG1 THR 41 HG1 THR 41 0.228 -18.983 -6.608 168 HG21 THR 41 1HG2 THR 41 0.460 -18.659 -10.549 169 HG22 THR 41 2HG2 THR 41 0.341 -20.365 -10.116 170 HG23 THR 41 3HG2 THR 41 1.687 -19.395 -9.518 171 H VAL 42 H VAL 42 -2.948 -19.123 -7.916 172 HA VAL 42 HA VAL 42 -4.327 -17.311 -6.336 173 HB VAL 42 HB VAL 42 -5.254 -19.484 -6.985 174 HG11 VAL 42 1HG1 VAL 42 -4.582 -21.536 -5.981 175 HG12 VAL 42 2HG1 VAL 42 -3.124 -20.751 -6.590 176 HG13 VAL 42 3HG1 VAL 42 -3.497 -20.706 -4.867 177 HG21 VAL 42 1HG2 VAL 42 -5.502 -19.906 -4.147 178 HG22 VAL 42 2HG2 VAL 42 -5.561 -18.185 -4.529 179 HG23 VAL 42 3HG2 VAL 42 -6.693 -19.298 -5.297 180 H ASP 43 H ASP 43 -1.543 -19.301 -5.561 181 HA ASP 43 HA ASP 43 -1.515 -19.176 -2.806 182 HB2 ASP 43 2HB ASP 43 0.917 -18.911 -4.585 183 HB3 ASP 43 3HB ASP 43 0.881 -19.509 -2.928 184 H VAL 44 H VAL 44 -0.299 -16.778 -5.119 185 HA VAL 44 HA VAL 44 0.518 -14.964 -3.034 186 HB VAL 44 HB VAL 44 0.228 -14.362 -5.977 187 HG11 VAL 44 1HG1 VAL 44 0.475 -12.363 -4.713 188 HG12 VAL 44 2HG1 VAL 44 1.763 -13.067 -3.733 189 HG13 VAL 44 3HG1 VAL 44 2.044 -12.712 -5.438 190 HG21 VAL 44 1HG2 VAL 44 2.225 -15.959 -4.515 191 HG22 VAL 44 2HG2 VAL 44 1.762 -15.999 -6.217 192 HG23 VAL 44 3HG2 VAL 44 2.875 -14.761 -5.635 193 H ILE 45 H ILE 45 -2.116 -15.143 -5.398 194 HA ILE 45 HA ILE 45 -3.327 -12.693 -4.897 195 HB ILE 45 HB ILE 45 -4.661 -15.305 -5.621 196 HG12 ILE 45 2HG1 ILE 45 -2.904 -14.559 -7.201 197 HG13 ILE 45 3HG1 ILE 45 -4.511 -14.517 -7.918 198 HG21 ILE 45 1HG2 ILE 45 -5.662 -12.468 -5.671 199 HG22 ILE 45 2HG2 ILE 45 -6.419 -13.774 -6.581 200 HG23 ILE 45 3HG2 ILE 45 -6.351 -13.851 -4.820 201 HD11 ILE 45 1HD1 ILE 45 -3.292 -12.562 -8.573 202 HD12 ILE 45 2HD1 ILE 45 -4.591 -12.087 -7.478 203 HD13 ILE 45 3HD1 ILE 45 -2.930 -12.174 -6.891 204 H GLN 46 H GLN 46 -3.297 -15.596 -3.001 205 HA GLN 46 HA GLN 46 -5.405 -14.576 -1.245 206 HB2 GLN 46 2HB GLN 46 -4.119 -17.252 -1.630 207 HB3 GLN 46 3HB GLN 46 -4.912 -16.885 -0.103 208 HG2 GLN 46 2HG GLN 46 -6.839 -16.121 -1.800 209 HG3 GLN 46 3HG GLN 46 -6.062 -17.369 -2.773 210 HE21 GLN 46 1HE2 GLN 46 -5.286 -19.144 -0.829 211 HE22 GLN 46 2HE2 GLN 46 -6.684 -19.827 -0.079 212 H SER 47 H SER 47 -2.011 -15.574 -1.194 213 HA SER 47 HA SER 47 -1.468 -15.302 1.504 214 HB2 SER 47 2HB SER 47 0.285 -16.202 0.256 215 HB3 SER 47 3HB SER 47 0.200 -14.933 -0.965 216 HG SER 47 HG SER 47 1.956 -14.445 0.245 217 H LEU 48 H LEU 48 -1.482 -12.815 -1.017 218 HA LEU 48 HA LEU 48 -0.564 -10.694 0.592 219 HB2 LEU 48 2HB LEU 48 -2.094 -10.872 -1.969 220 HB3 LEU 48 3HB LEU 48 -1.881 -9.311 -1.178 221 HG LEU 48 HG LEU 48 0.494 -11.023 -1.805 222 HD11 LEU 48 1HD1 LEU 48 -1.091 -10.617 -3.826 223 HD12 LEU 48 2HD1 LEU 48 0.638 -10.312 -3.992 224 HD13 LEU 48 3HD1 LEU 48 -0.475 -8.967 -3.741 225 HD21 LEU 48 1HD2 LEU 48 0.440 -8.070 -2.028 226 HD22 LEU 48 2HD2 LEU 48 1.707 -9.141 -1.429 227 HD23 LEU 48 3HD2 LEU 48 0.318 -8.761 -0.410 228 H ASN 49 H ASN 49 -3.651 -12.223 0.295 229 HA ASN 49 HA ASN 49 -4.823 -10.166 2.051 230 HB2 ASN 49 2HB ASN 49 -6.281 -11.973 0.110 231 HB3 ASN 49 3HB ASN 49 -7.013 -10.734 1.126 232 HD21 ASN 49 1HD2 ASN 49 -5.272 -11.406 -1.756 233 HD22 ASN 49 2HD2 ASN 49 -5.269 -9.799 -2.390 234 HA PRO 50 HA PRO 50 -4.553 -14.162 4.407 235 HB2 PRO 50 2HB PRO 50 -3.615 -13.025 6.687 236 HB3 PRO 50 3HB PRO 50 -2.559 -13.549 5.370 237 HG2 PRO 50 2HG PRO 50 -3.564 -10.803 6.015 238 HG3 PRO 50 3HG PRO 50 -1.939 -11.313 5.523 239 HD2 PRO 50 2HD PRO 50 -3.702 -10.200 3.795 240 HD3 PRO 50 3HD PRO 50 -2.509 -11.414 3.292 241 H GLY 51 H GLY 51 -6.012 -11.052 4.903 242 HA2 GLY 51 2HA GLY 51 -7.501 -11.629 7.238 243 HA3 GLY 51 3HA GLY 51 -7.874 -10.376 6.064 244 H VAL 52 H VAL 52 -8.038 -12.353 3.865 245 HA VAL 52 HA VAL 52 -10.724 -13.367 4.502 246 HB VAL 52 HB VAL 52 -10.990 -13.507 1.999 247 HG11 VAL 52 1HG1 VAL 52 -12.134 -11.659 2.478 248 HG12 VAL 52 2HG1 VAL 52 -10.965 -11.175 3.709 249 HG13 VAL 52 3HG1 VAL 52 -10.697 -10.745 2.019 250 HG21 VAL 52 1HG2 VAL 52 -9.445 -12.616 0.537 251 HG22 VAL 52 2HG2 VAL 52 -8.681 -11.624 1.779 252 HG23 VAL 52 3HG2 VAL 52 -8.397 -13.365 1.742 253 H VAL 53 H VAL 53 -11.351 -15.376 3.263 254 HA VAL 53 HA VAL 53 -9.110 -17.221 2.862 255 HB VAL 53 HB VAL 53 -10.507 -18.990 4.084 256 HG11 VAL 53 1HG1 VAL 53 -8.490 -18.433 5.090 257 HG12 VAL 53 2HG1 VAL 53 -8.991 -16.769 5.402 258 HG13 VAL 53 3HG1 VAL 53 -9.668 -18.090 6.357 259 HG21 VAL 53 1HG2 VAL 53 -12.104 -18.309 5.670 260 HG22 VAL 53 2HG2 VAL 53 -11.659 -16.610 5.513 261 HG23 VAL 53 3HG2 VAL 53 -12.512 -17.423 4.201 262 HA PRO 54 HA PRO 54 -11.406 -18.683 -0.581 263 HB2 PRO 54 2HB PRO 54 -10.684 -21.299 -0.642 264 HB3 PRO 54 3HB PRO 54 -9.587 -19.989 -1.095 265 HG2 PRO 54 2HG PRO 54 -9.775 -21.496 1.485 266 HG3 PRO 54 3HG PRO 54 -8.332 -21.009 0.576 267 HD2 PRO 54 2HD PRO 54 -9.215 -19.649 2.745 268 HD3 PRO 54 3HD PRO 54 -8.395 -18.852 1.387 269 H THR 55 H THR 55 -11.905 -20.045 2.546 270 HA THR 55 HA THR 55 -14.100 -21.750 1.772 271 HB THR 55 HB THR 55 -13.704 -20.921 4.610 272 HG1 THR 55 HG1 THR 55 -11.664 -21.471 4.496 273 HG21 THR 55 1HG2 THR 55 -13.883 -23.593 4.621 274 HG22 THR 55 2HG2 THR 55 -14.695 -23.263 3.090 275 HG23 THR 55 3HG2 THR 55 -15.299 -22.543 4.582 276 H ARG 56 H ARG 56 -13.666 -18.469 2.786 277 HA ARG 56 HA ARG 56 -16.592 -18.141 2.914 278 HB2 ARG 56 2HB ARG 56 -14.585 -16.341 4.267 279 HB3 ARG 56 3HB ARG 56 -16.327 -16.385 4.504 280 HG2 ARG 56 2HG ARG 56 -15.875 -18.831 5.287 281 HG3 ARG 56 3HG ARG 56 -14.229 -18.240 5.521 282 HD2 ARG 56 2HD ARG 56 -16.580 -16.747 6.628 283 HD3 ARG 56 3HD ARG 56 -15.889 -18.119 7.494 284 HE ARG 56 HE ARG 56 -14.771 -15.493 7.246 285 HH11 ARG 56 1HH1 ARG 56 -14.027 -18.862 7.708 286 HH12 ARG 56 2HH1 ARG 56 -12.524 -18.554 8.513 287 HH21 ARG 56 1HH2 ARG 56 -12.795 -15.074 8.305 288 HH22 ARG 56 2HH2 ARG 56 -11.825 -16.399 8.853 289 H LEU 57 H LEU 57 -16.174 -17.985 0.500 290 HA LEU 57 HA LEU 57 -15.075 -15.425 -0.353 291 HB2 LEU 57 2HB LEU 57 -14.820 -17.777 -1.495 292 HB3 LEU 57 3HB LEU 57 -16.370 -17.355 -2.220 293 HG LEU 57 HG LEU 57 -14.063 -15.461 -2.426 294 HD11 LEU 57 1HD1 LEU 57 -13.183 -17.631 -3.128 295 HD12 LEU 57 2HD1 LEU 57 -13.369 -16.535 -4.497 296 HD13 LEU 57 3HD1 LEU 57 -14.542 -17.825 -4.235 297 HD21 LEU 57 1HD2 LEU 57 -15.634 -15.719 -4.772 298 HD22 LEU 57 2HD2 LEU 57 -15.522 -14.347 -3.669 299 HD23 LEU 57 3HD2 LEU 57 -16.729 -15.604 -3.394 300 H GLN 58 H GLN 58 -16.249 -13.823 -1.389 301 HA GLN 58 HA GLN 58 -19.114 -14.140 -1.733 302 HB2 GLN 58 2HB GLN 58 -17.972 -12.042 0.121 303 HB3 GLN 58 3HB GLN 58 -19.656 -12.161 -0.372 304 HG2 GLN 58 2HG GLN 58 -19.839 -14.323 0.730 305 HG3 GLN 58 3HG GLN 58 -18.144 -14.232 1.204 306 HE21 GLN 58 1HE2 GLN 58 -17.532 -12.871 2.859 307 HE22 GLN 58 2HE2 GLN 58 -18.670 -12.121 3.920 308 H VAL 59 H VAL 59 -19.741 -13.130 -3.524 309 HA VAL 59 HA VAL 59 -17.948 -11.700 -5.153 310 HB VAL 59 HB VAL 59 -19.835 -11.240 -6.604 311 HG11 VAL 59 1HG1 VAL 59 -18.982 -13.442 -6.815 312 HG12 VAL 59 2HG1 VAL 59 -19.828 -13.983 -5.364 313 HG13 VAL 59 3HG1 VAL 59 -20.739 -13.583 -6.820 314 HG21 VAL 59 1HG2 VAL 59 -21.467 -10.562 -4.946 315 HG22 VAL 59 2HG2 VAL 59 -22.126 -11.860 -5.941 316 HG23 VAL 59 3HG2 VAL 59 -21.544 -12.206 -4.313 317 H GLY 60 H GLY 60 -17.652 -9.545 -5.547 318 HA2 GLY 60 2HA GLY 60 -18.044 -7.246 -5.374 319 HA3 GLY 60 3HA GLY 60 -19.355 -7.577 -4.252 320 H GLN 61 H GLN 61 -15.934 -8.532 -4.153 321 HA GLN 61 HA GLN 61 -15.628 -6.917 -1.716 322 HB2 GLN 61 2HB GLN 61 -16.010 -9.306 -1.134 323 HB3 GLN 61 3HB GLN 61 -14.580 -9.731 -2.066 324 HG2 GLN 61 2HG GLN 61 -13.138 -8.696 -0.551 325 HG3 GLN 61 3HG GLN 61 -14.442 -7.775 0.196 326 HE21 GLN 61 1HE2 GLN 61 -13.359 -11.102 -0.345 327 HE22 GLN 61 2HE2 GLN 61 -13.904 -11.712 1.177 328 H VAL 62 H VAL 62 -13.802 -5.751 -1.613 329 HA VAL 62 HA VAL 62 -12.001 -5.829 -3.881 330 HB VAL 62 HB VAL 62 -12.806 -3.671 -2.963 331 HG11 VAL 62 1HG1 VAL 62 -12.835 -4.276 -0.598 332 HG12 VAL 62 2HG1 VAL 62 -11.073 -4.377 -0.596 333 HG13 VAL 62 3HG1 VAL 62 -11.869 -2.827 -0.870 334 HG21 VAL 62 1HG2 VAL 62 -9.831 -3.829 -2.601 335 HG22 VAL 62 2HG2 VAL 62 -10.581 -4.033 -4.184 336 HG23 VAL 62 3HG2 VAL 62 -10.793 -2.524 -3.296 337 H ILE 63 H ILE 63 -9.757 -6.124 -3.763 338 HA ILE 63 HA ILE 63 -8.620 -7.081 -1.255 339 HB ILE 63 HB ILE 63 -7.663 -9.090 -2.327 340 HG12 ILE 63 2HG1 ILE 63 -9.659 -8.785 -4.546 341 HG13 ILE 63 3HG1 ILE 63 -8.071 -8.038 -4.684 342 HG21 ILE 63 1HG2 ILE 63 -10.608 -9.342 -2.686 343 HG22 ILE 63 2HG2 ILE 63 -9.476 -10.414 -1.864 344 HG23 ILE 63 3HG2 ILE 63 -9.977 -8.906 -1.098 345 HD11 ILE 63 1HD1 ILE 63 -8.364 -10.329 -5.716 346 HD12 ILE 63 2HD1 ILE 63 -6.979 -10.111 -4.646 347 HD13 ILE 63 3HD1 ILE 63 -8.418 -10.951 -4.067 348 H ASN 64 H ASN 64 -6.201 -7.809 -1.825 349 HA ASN 64 HA ASN 64 -5.065 -5.560 -3.343 350 HB2 ASN 64 2HB ASN 64 -4.238 -7.000 -0.877 351 HB3 ASN 64 3HB ASN 64 -2.953 -6.437 -1.942 352 HD21 ASN 64 1HD2 ASN 64 -4.986 -5.624 0.561 353 HD22 ASN 64 2HD2 ASN 64 -4.789 -3.908 0.521 354 H VAL 65 H VAL 65 -3.584 -5.897 -4.941 355 HA VAL 65 HA VAL 65 -2.674 -8.630 -5.466 356 HB VAL 65 HB VAL 65 -3.150 -8.193 -7.946 357 HG11 VAL 65 1HG1 VAL 65 -4.365 -9.916 -6.967 358 HG12 VAL 65 2HG1 VAL 65 -5.225 -8.824 -5.880 359 HG13 VAL 65 3HG1 VAL 65 -5.620 -8.850 -7.599 360 HG21 VAL 65 1HG2 VAL 65 -5.175 -6.280 -6.794 361 HG22 VAL 65 2HG2 VAL 65 -3.692 -5.781 -7.608 362 HG23 VAL 65 3HG2 VAL 65 -4.925 -6.678 -8.494 363 HA PRO 66 HA PRO 66 1.152 -6.748 -6.508 364 HB2 PRO 66 2HB PRO 66 2.086 -8.440 -8.414 365 HB3 PRO 66 3HB PRO 66 2.013 -8.870 -6.701 366 HG2 PRO 66 2HG PRO 66 0.124 -9.576 -8.913 367 HG3 PRO 66 3HG PRO 66 0.749 -10.599 -7.607 368 HD2 PRO 66 2HD PRO 66 -1.719 -9.487 -7.533 369 HD3 PRO 66 3HD PRO 66 -0.756 -9.771 -6.069 370 H CYS 67 H CYS 67 0.639 -4.784 -7.452 371 HA CYS 67 HA CYS 67 -0.509 -4.329 -9.927 372 HB2 CYS 67 2HB CYS 67 0.227 -2.692 -7.999 373 HB3 CYS 67 3HB CYS 67 1.682 -2.526 -8.977 Start of MODEL 14 1 H1 MET 19 H MET 19 4.382 -2.395 -1.030 2 HA MET 19 HA MET 19 1.589 -1.512 -0.840 3 HB2 MET 19 2HB MET 19 3.982 0.127 -1.588 4 HB3 MET 19 3HB MET 19 2.418 0.490 -2.304 5 HG2 MET 19 2HG MET 19 2.499 1.902 -0.481 6 HG3 MET 19 3HG MET 19 1.558 0.537 0.116 7 HE1 MET 19 1HE MET 19 2.279 0.973 3.013 8 HE2 MET 19 2HE MET 19 1.756 -0.392 2.026 9 HE3 MET 19 3HE MET 19 3.139 -0.564 3.109 10 H GLY 20 H GLY 20 0.588 -1.124 -2.966 11 HA2 GLY 20 2HA GLY 20 1.771 -1.834 -5.403 12 HA3 GLY 20 3HA GLY 20 1.038 -3.279 -4.723 13 H CYS 21 H CYS 21 -0.574 -3.519 -6.222 14 HA CYS 21 HA CYS 21 -2.522 -1.318 -6.420 15 HB2 CYS 21 2HB CYS 21 -1.586 -3.380 -8.362 16 HB3 CYS 21 3HB CYS 21 -3.258 -2.840 -8.472 17 H THR 22 H THR 22 -4.803 -2.001 -6.678 18 HA THR 22 HA THR 22 -5.379 -4.474 -5.182 19 HB THR 22 HB THR 22 -7.246 -3.380 -4.078 20 HG1 THR 22 HG1 THR 22 -7.986 -1.763 -5.284 21 HG21 THR 22 1HG2 THR 22 -5.590 -1.316 -3.199 22 HG22 THR 22 2HG2 THR 22 -4.486 -2.585 -3.732 23 HG23 THR 22 3HG2 THR 22 -5.714 -2.937 -2.516 24 H TYR 23 H TYR 23 -7.099 -5.697 -5.862 25 HA TYR 23 HA TYR 23 -8.393 -4.818 -8.359 26 HB2 TYR 23 2HB TYR 23 -7.005 -6.718 -8.811 27 HB3 TYR 23 3HB TYR 23 -7.632 -7.584 -7.413 28 HD1 TYR 23 HD1 TYR 23 -9.827 -8.638 -7.482 29 HD2 TYR 23 HD2 TYR 23 -8.280 -6.580 -10.869 30 HE1 TYR 23 HE1 TYR 23 -11.542 -9.689 -8.897 31 HE2 TYR 23 HE2 TYR 23 -9.991 -7.624 -12.293 32 HH TYR 23 HH TYR 23 -12.153 -8.665 -12.112 33 H THR 24 H THR 24 -10.593 -5.194 -8.642 34 HA THR 24 HA THR 24 -12.078 -5.581 -6.141 35 HB THR 24 HB THR 24 -13.059 -4.438 -8.765 36 HG1 THR 24 HG1 THR 24 -11.418 -3.249 -7.357 37 HG21 THR 24 1HG2 THR 24 -14.742 -3.503 -6.875 38 HG22 THR 24 2HG2 THR 24 -14.349 -5.079 -6.187 39 HG23 THR 24 3HG2 THR 24 -15.040 -4.971 -7.805 40 H ILE 25 H ILE 25 -12.872 -7.543 -5.801 41 HA ILE 25 HA ILE 25 -13.306 -9.374 -8.007 42 HB ILE 25 HB ILE 25 -13.840 -9.867 -5.079 43 HG12 ILE 25 2HG1 ILE 25 -11.310 -10.364 -6.663 44 HG13 ILE 25 3HG1 ILE 25 -11.511 -9.156 -5.399 45 HG21 ILE 25 1HG2 ILE 25 -13.834 -12.157 -5.607 46 HG22 ILE 25 2HG2 ILE 25 -14.804 -11.397 -6.867 47 HG23 ILE 25 3HG2 ILE 25 -13.140 -11.872 -7.203 48 HD11 ILE 25 1HD1 ILE 25 -10.317 -11.169 -4.644 49 HD12 ILE 25 2HD1 ILE 25 -11.807 -10.877 -3.746 50 HD13 ILE 25 3HD1 ILE 25 -11.757 -12.126 -4.990 51 H GLN 26 H GLN 26 -15.134 -9.113 -9.124 52 HA GLN 26 HA GLN 26 -17.613 -8.530 -7.655 53 HB2 GLN 26 2HB GLN 26 -16.648 -7.892 -10.398 54 HB3 GLN 26 3HB GLN 26 -18.373 -8.153 -10.179 55 HG2 GLN 26 2HG GLN 26 -18.024 -6.464 -8.186 56 HG3 GLN 26 3HG GLN 26 -16.635 -5.976 -9.157 57 HE21 GLN 26 1HE2 GLN 26 -18.143 -3.992 -8.970 58 HE22 GLN 26 2HE2 GLN 26 -19.224 -3.764 -10.298 59 HA PRO 27 HA PRO 27 -19.681 -12.323 -8.331 60 HB2 PRO 27 2HB PRO 27 -21.570 -10.901 -10.149 61 HB3 PRO 27 3HB PRO 27 -21.911 -11.929 -8.752 62 HG2 PRO 27 2HG PRO 27 -22.098 -9.258 -8.605 63 HG3 PRO 27 3HG PRO 27 -21.524 -10.230 -7.238 64 HD2 PRO 27 2HD PRO 27 -20.029 -8.467 -9.068 65 HD3 PRO 27 3HD PRO 27 -19.693 -8.899 -7.379 66 H GLY 28 H GLY 28 -18.238 -13.517 -9.545 67 HA2 GLY 28 2HA GLY 28 -18.616 -14.783 -11.738 68 HA3 GLY 28 3HA GLY 28 -18.378 -13.205 -12.473 69 H ASP 29 H ASP 29 -16.352 -12.691 -10.223 70 HA ASP 29 HA ASP 29 -14.088 -13.777 -11.696 71 HB2 ASP 29 2HB ASP 29 -14.033 -11.879 -9.346 72 HB3 ASP 29 3HB ASP 29 -12.741 -12.185 -10.504 73 H THR 30 H THR 30 -12.184 -14.555 -10.410 74 HA THR 30 HA THR 30 -12.811 -15.811 -7.869 75 HB THR 30 HB THR 30 -11.758 -18.005 -8.944 76 HG1 THR 30 HG1 THR 30 -12.175 -18.224 -11.058 77 HG21 THR 30 1HG2 THR 30 -13.772 -18.902 -8.508 78 HG22 THR 30 2HG2 THR 30 -14.596 -17.837 -9.646 79 HG23 THR 30 3HG2 THR 30 -14.227 -17.272 -8.017 80 H PHE 31 H PHE 31 -10.915 -16.786 -6.853 81 HA PHE 31 HA PHE 31 -8.684 -15.162 -6.876 82 HB2 PHE 31 2HB PHE 31 -9.337 -17.823 -5.774 83 HB3 PHE 31 3HB PHE 31 -7.618 -17.491 -5.966 84 HD1 PHE 31 HD1 PHE 31 -6.799 -17.120 -3.838 85 HD2 PHE 31 HD2 PHE 31 -10.415 -15.221 -5.035 86 HE1 PHE 31 HE1 PHE 31 -6.814 -15.834 -1.740 87 HE2 PHE 31 HE2 PHE 31 -10.436 -13.932 -2.940 88 HZ PHE 31 HZ PHE 31 -8.633 -14.237 -1.289 89 H TRP 32 H TRP 32 -8.782 -18.486 -8.174 90 HA TRP 32 HA TRP 32 -6.322 -18.484 -9.423 91 HB2 TRP 32 2HB TRP 32 -7.622 -20.515 -9.199 92 HB3 TRP 32 3HB TRP 32 -8.872 -19.877 -10.263 93 HD1 TRP 32 HD1 TRP 32 -5.024 -20.303 -10.688 94 HE1 TRP 32 HE1 TRP 32 -4.609 -21.422 -12.968 95 HE3 TRP 32 HE3 TRP 32 -9.871 -20.848 -12.219 96 HZ2 TRP 32 HZ2 TRP 32 -6.134 -22.405 -15.130 97 HZ3 TRP 32 HZ3 TRP 32 -10.307 -21.887 -14.406 98 HH2 TRP 32 HH2 TRP 32 -8.476 -22.648 -15.830 99 H ALA 33 H ALA 33 -9.460 -17.528 -10.795 100 HA ALA 33 HA ALA 33 -8.669 -16.957 -13.382 101 HB1 ALA 33 1HB ALA 33 -10.569 -15.313 -13.385 102 HB2 ALA 33 2HB ALA 33 -10.983 -16.941 -12.848 103 HB3 ALA 33 3HB ALA 33 -10.768 -15.651 -11.665 104 H ILE 34 H ILE 34 -8.859 -14.657 -10.659 105 HA ILE 34 HA ILE 34 -7.774 -12.460 -12.001 106 HB ILE 34 HB ILE 34 -7.581 -13.110 -9.057 107 HG12 ILE 34 2HG1 ILE 34 -9.561 -11.263 -10.373 108 HG13 ILE 34 3HG1 ILE 34 -9.891 -12.983 -10.196 109 HG21 ILE 34 1HG2 ILE 34 -7.015 -10.629 -10.636 110 HG22 ILE 34 2HG2 ILE 34 -7.501 -10.539 -8.944 111 HG23 ILE 34 3HG2 ILE 34 -6.033 -11.406 -9.394 112 HD11 ILE 34 1HD1 ILE 34 -9.578 -12.737 -7.754 113 HD12 ILE 34 2HD1 ILE 34 -9.404 -10.998 -7.992 114 HD13 ILE 34 3HD1 ILE 34 -10.923 -11.796 -8.397 115 H ALA 35 H ALA 35 -6.227 -15.149 -10.360 116 HA ALA 35 HA ALA 35 -3.621 -14.112 -10.210 117 HB1 ALA 35 1HB ALA 35 -4.753 -16.335 -9.277 118 HB2 ALA 35 2HB ALA 35 -3.952 -17.015 -10.694 119 HB3 ALA 35 3HB ALA 35 -3.007 -16.168 -9.470 120 H GLN 36 H GLN 36 -4.892 -16.474 -12.569 121 HA GLN 36 HA GLN 36 -2.713 -16.442 -14.290 122 HB2 GLN 36 2HB GLN 36 -4.290 -17.287 -16.013 123 HB3 GLN 36 3HB GLN 36 -4.416 -18.138 -14.479 124 HG2 GLN 36 2HG GLN 36 -6.399 -16.846 -13.911 125 HG3 GLN 36 3HG GLN 36 -6.267 -15.963 -15.431 126 HE21 GLN 36 1HE2 GLN 36 -7.477 -18.711 -13.876 127 HE22 GLN 36 2HE2 GLN 36 -8.096 -19.527 -15.268 128 H ARG 37 H ARG 37 -5.267 -14.138 -13.889 129 HA ARG 37 HA ARG 37 -4.951 -12.834 -16.410 130 HB2 ARG 37 2HB ARG 37 -6.413 -12.279 -13.877 131 HB3 ARG 37 3HB ARG 37 -6.106 -10.924 -14.954 132 HG2 ARG 37 2HG ARG 37 -7.338 -13.447 -15.985 133 HG3 ARG 37 3HG ARG 37 -8.316 -12.220 -15.178 134 HD2 ARG 37 2HD ARG 37 -8.497 -11.588 -17.389 135 HD3 ARG 37 3HD ARG 37 -7.155 -10.588 -16.836 136 HE ARG 37 HE ARG 37 -6.209 -13.040 -17.894 137 HH11 ARG 37 1HH1 ARG 37 -7.527 -9.961 -18.842 138 HH12 ARG 37 2HH1 ARG 37 -6.753 -9.960 -20.392 139 HH21 ARG 37 1HH2 ARG 37 -5.184 -13.051 -19.932 140 HH22 ARG 37 2HH2 ARG 37 -5.421 -11.718 -21.011 141 H ARG 38 H ARG 38 -4.111 -11.789 -13.101 142 HA ARG 38 HA ARG 38 -2.559 -9.587 -13.908 143 HB2 ARG 38 2HB ARG 38 -2.361 -11.187 -11.350 144 HB3 ARG 38 3HB ARG 38 -1.713 -9.573 -11.608 145 HG2 ARG 38 2HG ARG 38 -4.636 -10.190 -11.891 146 HG3 ARG 38 3HG ARG 38 -3.902 -9.746 -10.349 147 HD2 ARG 38 2HD ARG 38 -3.588 -8.063 -12.818 148 HD3 ARG 38 3HD ARG 38 -4.959 -7.876 -11.725 149 HE ARG 38 HE ARG 38 -2.435 -7.774 -10.375 150 HH11 ARG 38 1HH1 ARG 38 -4.751 -5.924 -12.201 151 HH12 ARG 38 2HH1 ARG 38 -4.266 -4.405 -11.524 152 HH21 ARG 38 1HH2 ARG 38 -1.788 -5.780 -9.476 153 HH22 ARG 38 2HH2 ARG 38 -2.581 -4.324 -9.975 154 H GLY 39 H GLY 39 -1.838 -12.972 -13.646 155 HA2 GLY 39 2HA GLY 39 0.021 -13.826 -14.951 156 HA3 GLY 39 3HA GLY 39 0.924 -12.386 -14.503 157 H THR 40 H THR 40 -0.955 -13.850 -12.033 158 HA THR 40 HA THR 40 1.448 -15.170 -10.951 159 HB THR 40 HB THR 40 0.912 -12.978 -9.815 160 HG1 THR 40 HG1 THR 40 1.797 -13.884 -8.118 161 HG21 THR 40 1HG2 THR 40 -0.965 -12.852 -8.325 162 HG22 THR 40 2HG2 THR 40 -1.426 -14.516 -8.685 163 HG23 THR 40 3HG2 THR 40 -1.568 -13.272 -9.927 164 H THR 41 H THR 41 0.567 -16.413 -8.801 165 HA THR 41 HA THR 41 -1.616 -18.131 -9.784 166 HB THR 41 HB THR 41 -0.622 -19.946 -8.433 167 HG1 THR 41 HG1 THR 41 1.264 -19.634 -7.346 168 HG21 THR 41 1HG2 THR 41 -0.021 -19.829 -10.769 169 HG22 THR 41 2HG2 THR 41 1.402 -20.292 -9.836 170 HG23 THR 41 3HG2 THR 41 1.233 -18.639 -10.424 171 H VAL 42 H VAL 42 -2.729 -19.351 -7.946 172 HA VAL 42 HA VAL 42 -4.096 -17.570 -6.315 173 HB VAL 42 HB VAL 42 -4.976 -19.782 -6.853 174 HG11 VAL 42 1HG1 VAL 42 -3.012 -20.927 -4.880 175 HG12 VAL 42 2HG1 VAL 42 -4.123 -21.797 -5.940 176 HG13 VAL 42 3HG1 VAL 42 -2.744 -20.934 -6.623 177 HG21 VAL 42 1HG2 VAL 42 -6.275 -19.481 -5.078 178 HG22 VAL 42 2HG2 VAL 42 -5.081 -20.305 -4.075 179 HG23 VAL 42 3HG2 VAL 42 -5.004 -18.555 -4.279 180 H ASP 43 H ASP 43 -1.192 -19.441 -5.672 181 HA ASP 43 HA ASP 43 -0.997 -19.228 -2.928 182 HB2 ASP 43 2HB ASP 43 0.594 -20.543 -4.171 183 HB3 ASP 43 3HB ASP 43 1.185 -19.115 -5.016 184 H VAL 44 H VAL 44 -0.044 -16.864 -5.388 185 HA VAL 44 HA VAL 44 0.882 -14.965 -3.429 186 HB VAL 44 HB VAL 44 0.315 -14.459 -6.349 187 HG11 VAL 44 1HG1 VAL 44 2.060 -12.708 -6.041 188 HG12 VAL 44 2HG1 VAL 44 0.588 -12.426 -5.108 189 HG13 VAL 44 3HG1 VAL 44 2.033 -13.051 -4.312 190 HG21 VAL 44 1HG2 VAL 44 2.731 -15.626 -4.998 191 HG22 VAL 44 2HG2 VAL 44 1.819 -16.269 -6.364 192 HG23 VAL 44 3HG2 VAL 44 2.823 -14.834 -6.570 193 H ILE 45 H ILE 45 -1.930 -15.276 -5.568 194 HA ILE 45 HA ILE 45 -3.181 -12.861 -5.005 195 HB ILE 45 HB ILE 45 -4.481 -15.528 -5.572 196 HG12 ILE 45 2HG1 ILE 45 -2.882 -14.759 -7.303 197 HG13 ILE 45 3HG1 ILE 45 -4.542 -14.785 -7.888 198 HG21 ILE 45 1HG2 ILE 45 -5.560 -12.743 -5.414 199 HG22 ILE 45 2HG2 ILE 45 -6.297 -13.925 -6.494 200 HG23 ILE 45 3HG2 ILE 45 -6.226 -14.240 -4.761 201 HD11 ILE 45 1HD1 ILE 45 -3.438 -12.806 -8.674 202 HD12 ILE 45 2HD1 ILE 45 -4.673 -12.353 -7.499 203 HD13 ILE 45 3HD1 ILE 45 -2.973 -12.367 -7.030 204 H GLN 46 H GLN 46 -2.908 -15.734 -3.077 205 HA GLN 46 HA GLN 46 -4.901 -14.756 -1.171 206 HB2 GLN 46 2HB GLN 46 -4.753 -17.198 -1.972 207 HB3 GLN 46 3HB GLN 46 -3.345 -17.319 -0.924 208 HG2 GLN 46 2HG GLN 46 -4.987 -16.340 0.868 209 HG3 GLN 46 3HG GLN 46 -6.215 -16.988 -0.219 210 HE21 GLN 46 1HE2 GLN 46 -5.437 -19.295 -1.051 211 HE22 GLN 46 2HE2 GLN 46 -5.044 -20.387 0.228 212 H SER 47 H SER 47 -1.473 -15.607 -1.374 213 HA SER 47 HA SER 47 -0.733 -15.248 1.268 214 HB2 SER 47 2HB SER 47 0.707 -14.922 -1.338 215 HB3 SER 47 3HB SER 47 1.506 -14.428 0.154 216 HG SER 47 HG SER 47 0.924 -16.611 0.923 217 H LEU 48 H LEU 48 -1.128 -12.837 -1.285 218 HA LEU 48 HA LEU 48 -0.160 -10.638 0.217 219 HB2 LEU 48 2HB LEU 48 -1.812 -10.937 -2.256 220 HB3 LEU 48 3HB LEU 48 -1.617 -9.351 -1.513 221 HG LEU 48 HG LEU 48 0.626 -11.094 -2.530 222 HD11 LEU 48 1HD1 LEU 48 0.601 -9.959 -4.484 223 HD12 LEU 48 2HD1 LEU 48 0.004 -8.474 -3.744 224 HD13 LEU 48 3HD1 LEU 48 -1.112 -9.794 -4.095 225 HD21 LEU 48 1HD2 LEU 48 1.408 -9.755 -0.714 226 HD22 LEU 48 2HD2 LEU 48 0.584 -8.327 -1.339 227 HD23 LEU 48 3HD2 LEU 48 1.958 -9.006 -2.213 228 H ASN 49 H ASN 49 -3.184 -12.305 0.127 229 HA ASN 49 HA ASN 49 -4.387 -10.222 1.830 230 HB2 ASN 49 2HB ASN 49 -5.744 -12.264 0.055 231 HB3 ASN 49 3HB ASN 49 -6.585 -11.150 1.129 232 HD21 ASN 49 1HD2 ASN 49 -4.814 -11.503 -1.821 233 HD22 ASN 49 2HD2 ASN 49 -5.146 -9.930 -2.452 234 HA PRO 50 HA PRO 50 -3.644 -13.959 4.486 235 HB2 PRO 50 2HB PRO 50 -2.681 -12.553 6.600 236 HB3 PRO 50 3HB PRO 50 -1.660 -13.102 5.266 237 HG2 PRO 50 2HG PRO 50 -2.862 -10.403 5.744 238 HG3 PRO 50 3HG PRO 50 -1.229 -10.818 5.193 239 HD2 PRO 50 2HD PRO 50 -3.177 -10.010 3.495 240 HD3 PRO 50 3HD PRO 50 -1.913 -11.162 3.019 241 H GLY 51 H GLY 51 -5.399 -10.999 4.735 242 HA2 GLY 51 2HA GLY 51 -6.772 -11.748 7.181 243 HA3 GLY 51 3HA GLY 51 -7.061 -10.306 6.219 244 H VAL 52 H VAL 52 -7.309 -11.953 3.747 245 HA VAL 52 HA VAL 52 -10.083 -12.808 4.199 246 HB VAL 52 HB VAL 52 -8.720 -12.171 1.579 247 HG11 VAL 52 1HG1 VAL 52 -11.489 -12.994 2.338 248 HG12 VAL 52 2HG1 VAL 52 -11.238 -11.946 0.940 249 HG13 VAL 52 3HG1 VAL 52 -10.483 -13.539 0.996 250 HG21 VAL 52 1HG2 VAL 52 -8.843 -10.070 2.422 251 HG22 VAL 52 2HG2 VAL 52 -10.512 -10.204 1.869 252 HG23 VAL 52 3HG2 VAL 52 -10.121 -10.484 3.565 253 H VAL 53 H VAL 53 -10.797 -14.820 3.639 254 HA VAL 53 HA VAL 53 -8.743 -16.739 2.748 255 HB VAL 53 HB VAL 53 -10.223 -18.458 3.940 256 HG11 VAL 53 1HG1 VAL 53 -8.205 -16.651 4.946 257 HG12 VAL 53 2HG1 VAL 53 -9.263 -17.221 6.238 258 HG13 VAL 53 3HG1 VAL 53 -8.405 -18.381 5.222 259 HG21 VAL 53 1HG2 VAL 53 -12.050 -16.624 4.208 260 HG22 VAL 53 2HG2 VAL 53 -11.786 -17.788 5.507 261 HG23 VAL 53 3HG2 VAL 53 -11.117 -16.161 5.631 262 HA PRO 54 HA PRO 54 -11.265 -17.858 -0.666 263 HB2 PRO 54 2HB PRO 54 -10.744 -20.514 -0.876 264 HB3 PRO 54 3HB PRO 54 -9.569 -19.267 -1.311 265 HG2 PRO 54 2HG PRO 54 -9.776 -20.880 1.202 266 HG3 PRO 54 3HG PRO 54 -8.335 -20.457 0.260 267 HD2 PRO 54 2HD PRO 54 -9.034 -19.144 2.523 268 HD3 PRO 54 3HD PRO 54 -8.206 -18.344 1.172 269 H THR 55 H THR 55 -11.639 -19.632 2.329 270 HA THR 55 HA THR 55 -14.031 -21.002 1.570 271 HB THR 55 HB THR 55 -14.019 -20.801 4.366 272 HG1 THR 55 HG1 THR 55 -11.386 -21.422 3.538 273 HG21 THR 55 1HG2 THR 55 -13.505 -23.125 4.306 274 HG22 THR 55 2HG2 THR 55 -12.713 -22.975 2.737 275 HG23 THR 55 3HG2 THR 55 -14.461 -22.781 2.865 276 H ARG 56 H ARG 56 -13.295 -17.964 3.179 277 HA ARG 56 HA ARG 56 -16.170 -17.422 3.456 278 HB2 ARG 56 2HB ARG 56 -13.871 -15.884 4.670 279 HB3 ARG 56 3HB ARG 56 -15.579 -15.712 5.050 280 HG2 ARG 56 2HG ARG 56 -13.941 -18.186 5.563 281 HG3 ARG 56 3HG ARG 56 -14.327 -16.954 6.766 282 HD2 ARG 56 2HD ARG 56 -16.773 -17.400 6.171 283 HD3 ARG 56 3HD ARG 56 -16.184 -18.852 5.362 284 HE ARG 56 HE ARG 56 -15.177 -18.743 7.995 285 HH11 ARG 56 1HH1 ARG 56 -18.124 -19.315 6.232 286 HH12 ARG 56 2HH1 ARG 56 -18.802 -20.350 7.445 287 HH21 ARG 56 1HH2 ARG 56 -16.059 -20.105 9.599 288 HH22 ARG 56 2HH2 ARG 56 -17.627 -20.798 9.360 289 H LEU 57 H LEU 57 -15.437 -17.292 0.899 290 HA LEU 57 HA LEU 57 -14.724 -14.535 0.256 291 HB2 LEU 57 2HB LEU 57 -13.676 -16.428 -0.954 292 HB3 LEU 57 3HB LEU 57 -15.263 -16.858 -1.588 293 HG LEU 57 HG LEU 57 -15.309 -14.563 -2.658 294 HD11 LEU 57 1HD1 LEU 57 -12.452 -14.639 -1.730 295 HD12 LEU 57 2HD1 LEU 57 -13.658 -13.380 -1.465 296 HD13 LEU 57 3HD1 LEU 57 -12.991 -13.637 -3.077 297 HD21 LEU 57 1HD2 LEU 57 -14.865 -16.639 -3.895 298 HD22 LEU 57 2HD2 LEU 57 -13.145 -16.469 -3.544 299 HD23 LEU 57 3HD2 LEU 57 -13.963 -15.271 -4.549 300 H GLN 58 H GLN 58 -16.040 -13.170 -0.983 301 HA GLN 58 HA GLN 58 -18.766 -14.004 -1.558 302 HB2 GLN 58 2HB GLN 58 -18.919 -13.203 0.741 303 HB3 GLN 58 3HB GLN 58 -18.131 -11.697 0.289 304 HG2 GLN 58 2HG GLN 58 -19.988 -10.892 -0.802 305 HG3 GLN 58 3HG GLN 58 -20.653 -12.501 -1.080 306 HE21 GLN 58 1HE2 GLN 58 -22.342 -10.665 -0.178 307 HE22 GLN 58 2HE2 GLN 58 -22.724 -10.919 1.487 308 H VAL 59 H VAL 59 -19.649 -12.954 -3.272 309 HA VAL 59 HA VAL 59 -17.989 -11.559 -5.044 310 HB VAL 59 HB VAL 59 -19.962 -11.133 -6.375 311 HG11 VAL 59 1HG1 VAL 59 -19.044 -13.419 -6.326 312 HG12 VAL 59 2HG1 VAL 59 -20.186 -13.831 -5.046 313 HG13 VAL 59 3HG1 VAL 59 -20.777 -13.396 -6.650 314 HG21 VAL 59 1HG2 VAL 59 -21.428 -11.774 -3.835 315 HG22 VAL 59 2HG2 VAL 59 -21.567 -10.344 -4.858 316 HG23 VAL 59 3HG2 VAL 59 -22.207 -11.891 -5.412 317 H GLY 60 H GLY 60 -17.646 -9.429 -5.462 318 HA2 GLY 60 2HA GLY 60 -17.999 -7.119 -5.334 319 HA3 GLY 60 3HA GLY 60 -19.264 -7.401 -4.147 320 H GLN 61 H GLN 61 -15.879 -8.466 -4.141 321 HA GLN 61 HA GLN 61 -15.415 -6.762 -1.791 322 HB2 GLN 61 2HB GLN 61 -15.854 -9.034 -1.001 323 HB3 GLN 61 3HB GLN 61 -14.608 -9.661 -2.072 324 HG2 GLN 61 2HG GLN 61 -12.884 -8.737 -0.811 325 HG3 GLN 61 3HG GLN 61 -13.965 -7.614 0.013 326 HE21 GLN 61 1HE2 GLN 61 -13.961 -11.125 -0.517 327 HE22 GLN 61 2HE2 GLN 61 -14.141 -11.548 1.148 328 H VAL 62 H VAL 62 -13.471 -5.761 -1.712 329 HA VAL 62 HA VAL 62 -11.774 -5.999 -4.065 330 HB VAL 62 HB VAL 62 -11.651 -4.043 -1.766 331 HG11 VAL 62 1HG1 VAL 62 -9.851 -4.592 -3.997 332 HG12 VAL 62 2HG1 VAL 62 -10.353 -2.903 -3.894 333 HG13 VAL 62 3HG1 VAL 62 -9.574 -3.679 -2.515 334 HG21 VAL 62 1HG2 VAL 62 -13.026 -4.032 -4.406 335 HG22 VAL 62 2HG2 VAL 62 -13.570 -3.410 -2.847 336 HG23 VAL 62 3HG2 VAL 62 -12.375 -2.514 -3.785 337 H ILE 63 H ILE 63 -9.682 -6.681 -4.069 338 HA ILE 63 HA ILE 63 -8.518 -7.533 -1.506 339 HB ILE 63 HB ILE 63 -7.590 -9.536 -2.614 340 HG12 ILE 63 2HG1 ILE 63 -9.552 -9.237 -4.844 341 HG13 ILE 63 3HG1 ILE 63 -8.032 -8.358 -4.954 342 HG21 ILE 63 1HG2 ILE 63 -10.589 -9.484 -2.866 343 HG22 ILE 63 2HG2 ILE 63 -9.557 -10.855 -2.463 344 HG23 ILE 63 3HG2 ILE 63 -9.747 -9.529 -1.317 345 HD11 ILE 63 1HD1 ILE 63 -7.020 -10.183 -5.667 346 HD12 ILE 63 2HD1 ILE 63 -7.471 -11.036 -4.190 347 HD13 ILE 63 3HD1 ILE 63 -8.551 -11.055 -5.584 348 H ASN 64 H ASN 64 -6.113 -8.168 -1.894 349 HA ASN 64 HA ASN 64 -4.895 -5.925 -3.324 350 HB2 ASN 64 2HB ASN 64 -4.441 -6.815 -0.812 351 HB3 ASN 64 3HB ASN 64 -3.204 -7.718 -1.682 352 HD21 ASN 64 1HD2 ASN 64 -4.538 -4.445 -2.000 353 HD22 ASN 64 2HD2 ASN 64 -3.016 -3.633 -1.911 354 H VAL 65 H VAL 65 -3.434 -6.167 -4.956 355 HA VAL 65 HA VAL 65 -2.564 -8.852 -5.709 356 HB VAL 65 HB VAL 65 -3.137 -8.269 -8.138 357 HG11 VAL 65 1HG1 VAL 65 -5.523 -8.752 -6.374 358 HG12 VAL 65 2HG1 VAL 65 -5.216 -9.374 -7.997 359 HG13 VAL 65 3HG1 VAL 65 -4.270 -9.966 -6.630 360 HG21 VAL 65 1HG2 VAL 65 -4.912 -6.733 -8.545 361 HG22 VAL 65 2HG2 VAL 65 -5.166 -6.474 -6.820 362 HG23 VAL 65 3HG2 VAL 65 -3.695 -5.883 -7.593 363 HA PRO 66 HA PRO 66 1.202 -6.864 -6.774 364 HB2 PRO 66 2HB PRO 66 2.080 -8.425 -8.814 365 HB3 PRO 66 3HB PRO 66 2.075 -8.959 -7.129 366 HG2 PRO 66 2HG PRO 66 0.111 -9.551 -9.309 367 HG3 PRO 66 3HG PRO 66 0.795 -10.645 -8.092 368 HD2 PRO 66 2HD PRO 66 -1.679 -9.569 -7.859 369 HD3 PRO 66 3HD PRO 66 -0.659 -9.931 -6.452 370 H CYS 67 H CYS 67 1.434 -4.977 -7.780 371 HA CYS 67 HA CYS 67 0.010 -4.444 -10.254 372 HB2 CYS 67 2HB CYS 67 0.378 -2.874 -8.144 373 HB3 CYS 67 3HB CYS 67 1.846 -2.444 -9.015 Start of MODEL 15 1 H1 MET 19 H MET 19 5.991 -0.215 -3.108 2 HA MET 19 HA MET 19 3.423 0.941 -3.584 3 HB2 MET 19 2HB MET 19 5.582 -0.038 -5.453 4 HB3 MET 19 3HB MET 19 4.104 0.738 -6.003 5 HG2 MET 19 2HG MET 19 6.064 2.013 -4.113 6 HG3 MET 19 3HG MET 19 6.088 2.235 -5.861 7 HE1 MET 19 1HE MET 19 3.809 3.936 -7.120 8 HE2 MET 19 2HE MET 19 4.420 5.313 -6.203 9 HE3 MET 19 3HE MET 19 5.527 4.048 -6.738 10 H GLY 20 H GLY 20 1.668 0.079 -4.718 11 HA2 GLY 20 2HA GLY 20 1.622 -2.571 -5.746 12 HA3 GLY 20 3HA GLY 20 0.923 -2.526 -4.135 13 H CYS 21 H CYS 21 -0.874 -3.353 -5.678 14 HA CYS 21 HA CYS 21 -2.617 -1.063 -6.195 15 HB2 CYS 21 2HB CYS 21 -1.749 -3.103 -8.206 16 HB3 CYS 21 3HB CYS 21 -3.379 -2.445 -8.303 17 H THR 22 H THR 22 -4.881 -1.620 -6.284 18 HA THR 22 HA THR 22 -5.468 -4.128 -4.851 19 HB THR 22 HB THR 22 -7.523 -2.950 -4.019 20 HG1 THR 22 HG1 THR 22 -7.787 -0.828 -4.416 21 HG21 THR 22 1HG2 THR 22 -6.426 -2.233 -2.166 22 HG22 THR 22 2HG2 THR 22 -5.279 -1.262 -3.089 23 HG23 THR 22 3HG2 THR 22 -5.055 -3.006 -2.960 24 H TYR 23 H TYR 23 -7.220 -5.370 -5.483 25 HA TYR 23 HA TYR 23 -8.444 -4.624 -8.059 26 HB2 TYR 23 2HB TYR 23 -6.946 -6.469 -8.429 27 HB3 TYR 23 3HB TYR 23 -7.603 -7.348 -7.053 28 HD1 TYR 23 HD1 TYR 23 -8.069 -6.461 -10.555 29 HD2 TYR 23 HD2 TYR 23 -9.820 -8.401 -7.198 30 HE1 TYR 23 HE1 TYR 23 -9.679 -7.574 -12.045 31 HE2 TYR 23 HE2 TYR 23 -11.434 -9.520 -8.678 32 HH TYR 23 HH TYR 23 -11.952 -8.590 -11.869 33 H THR 24 H THR 24 -10.619 -4.880 -8.299 34 HA THR 24 HA THR 24 -12.123 -5.419 -5.846 35 HB THR 24 HB THR 24 -13.362 -4.397 -8.382 36 HG1 THR 24 HG1 THR 24 -11.985 -2.778 -8.215 37 HG21 THR 24 1HG2 THR 24 -14.435 -3.055 -6.249 38 HG22 THR 24 2HG2 THR 24 -14.085 -4.639 -5.555 39 HG23 THR 24 3HG2 THR 24 -15.115 -4.508 -6.980 40 H ILE 25 H ILE 25 -12.845 -7.420 -5.572 41 HA ILE 25 HA ILE 25 -13.220 -9.199 -7.823 42 HB ILE 25 HB ILE 25 -13.814 -9.759 -4.918 43 HG12 ILE 25 2HG1 ILE 25 -11.245 -10.192 -6.459 44 HG13 ILE 25 3HG1 ILE 25 -11.488 -9.013 -5.176 45 HG21 ILE 25 1HG2 ILE 25 -14.339 -11.230 -7.209 46 HG22 ILE 25 2HG2 ILE 25 -12.872 -11.953 -6.553 47 HG23 ILE 25 3HG2 ILE 25 -14.319 -11.833 -5.552 48 HD11 ILE 25 1HD1 ILE 25 -11.466 -12.006 -4.940 49 HD12 ILE 25 2HD1 ILE 25 -10.331 -10.851 -4.241 50 HD13 ILE 25 3HD1 ILE 25 -11.989 -10.929 -3.645 51 H GLN 26 H GLN 26 -15.024 -8.946 -8.980 52 HA GLN 26 HA GLN 26 -17.553 -8.475 -7.552 53 HB2 GLN 26 2HB GLN 26 -16.524 -7.642 -10.216 54 HB3 GLN 26 3HB GLN 26 -18.246 -7.972 -10.080 55 HG2 GLN 26 2HG GLN 26 -18.066 -6.400 -7.993 56 HG3 GLN 26 3HG GLN 26 -16.620 -5.824 -8.820 57 HE21 GLN 26 1HE2 GLN 26 -16.892 -4.230 -10.202 58 HE22 GLN 26 2HE2 GLN 26 -18.373 -3.795 -10.977 59 HA PRO 27 HA PRO 27 -19.503 -12.269 -8.513 60 HB2 PRO 27 2HB PRO 27 -21.390 -10.783 -10.282 61 HB3 PRO 27 3HB PRO 27 -21.733 -11.903 -8.959 62 HG2 PRO 27 2HG PRO 27 -21.995 -9.254 -8.650 63 HG3 PRO 27 3HG PRO 27 -21.419 -10.293 -7.334 64 HD2 PRO 27 2HD PRO 27 -19.934 -8.384 -9.028 65 HD3 PRO 27 3HD PRO 27 -19.628 -8.904 -7.359 66 H GLY 28 H GLY 28 -18.035 -13.375 -9.767 67 HA2 GLY 28 2HA GLY 28 -18.301 -14.512 -12.027 68 HA3 GLY 28 3HA GLY 28 -18.136 -12.888 -12.676 69 H ASP 29 H ASP 29 -16.155 -12.390 -10.386 70 HA ASP 29 HA ASP 29 -13.834 -13.375 -11.864 71 HB2 ASP 29 2HB ASP 29 -13.726 -11.459 -9.548 72 HB3 ASP 29 3HB ASP 29 -12.592 -11.637 -10.884 73 H THR 30 H THR 30 -12.444 -14.847 -11.087 74 HA THR 30 HA THR 30 -12.885 -15.815 -8.337 75 HB THR 30 HB THR 30 -11.680 -17.932 -9.410 76 HG1 THR 30 HG1 THR 30 -12.168 -18.173 -11.559 77 HG21 THR 30 1HG2 THR 30 -14.571 -17.595 -10.098 78 HG22 THR 30 2HG2 THR 30 -14.066 -17.566 -8.408 79 HG23 THR 30 3HG2 THR 30 -13.739 -18.985 -9.403 80 H PHE 31 H PHE 31 -11.037 -16.586 -7.174 81 HA PHE 31 HA PHE 31 -8.856 -14.895 -7.163 82 HB2 PHE 31 2HB PHE 31 -9.450 -17.551 -5.979 83 HB3 PHE 31 3HB PHE 31 -7.757 -17.068 -6.021 84 HD1 PHE 31 HD1 PHE 31 -7.063 -16.312 -3.976 85 HD2 PHE 31 HD2 PHE 31 -10.951 -15.256 -5.349 86 HE1 PHE 31 HE1 PHE 31 -7.402 -14.947 -1.957 87 HE2 PHE 31 HE2 PHE 31 -11.296 -13.889 -3.333 88 HZ PHE 31 HZ PHE 31 -9.520 -13.732 -1.634 89 H TRP 32 H TRP 32 -8.877 -18.256 -8.363 90 HA TRP 32 HA TRP 32 -6.324 -18.329 -9.407 91 HB2 TRP 32 2HB TRP 32 -7.825 -20.289 -9.227 92 HB3 TRP 32 3HB TRP 32 -8.778 -19.664 -10.570 93 HD1 TRP 32 HD1 TRP 32 -4.938 -20.168 -10.198 94 HE1 TRP 32 HE1 TRP 32 -4.121 -21.501 -12.243 95 HE3 TRP 32 HE3 TRP 32 -9.424 -20.889 -12.541 96 HZ2 TRP 32 HZ2 TRP 32 -5.231 -22.699 -14.545 97 HZ3 TRP 32 HZ3 TRP 32 -9.460 -22.138 -14.661 98 HH2 TRP 32 HH2 TRP 32 -7.406 -23.023 -15.641 99 H ALA 33 H ALA 33 -9.319 -17.368 -11.071 100 HA ALA 33 HA ALA 33 -8.306 -16.847 -13.584 101 HB1 ALA 33 1HB ALA 33 -10.494 -15.415 -12.086 102 HB2 ALA 33 2HB ALA 33 -10.170 -15.210 -13.808 103 HB3 ALA 33 3HB ALA 33 -10.667 -16.784 -13.185 104 H ILE 34 H ILE 34 -8.561 -14.572 -10.853 105 HA ILE 34 HA ILE 34 -7.400 -12.370 -12.131 106 HB ILE 34 HB ILE 34 -7.320 -13.064 -9.192 107 HG12 ILE 34 2HG1 ILE 34 -9.223 -11.170 -10.556 108 HG13 ILE 34 3HG1 ILE 34 -9.588 -12.885 -10.397 109 HG21 ILE 34 1HG2 ILE 34 -6.004 -11.282 -8.997 110 HG22 ILE 34 2HG2 ILE 34 -6.205 -10.870 -10.699 111 HG23 ILE 34 3HG2 ILE 34 -7.377 -10.302 -9.510 112 HD11 ILE 34 1HD1 ILE 34 -9.520 -12.721 -8.000 113 HD12 ILE 34 2HD1 ILE 34 -9.005 -11.036 -8.097 114 HD13 ILE 34 3HD1 ILE 34 -10.617 -11.499 -8.644 115 H ALA 35 H ALA 35 -5.941 -15.001 -10.271 116 HA ALA 35 HA ALA 35 -3.332 -14.031 -10.117 117 HB1 ALA 35 1HB ALA 35 -3.073 -15.924 -8.994 118 HB2 ALA 35 2HB ALA 35 -4.673 -16.447 -9.523 119 HB3 ALA 35 3HB ALA 35 -3.250 -16.853 -10.483 120 H GLN 36 H GLN 36 -4.736 -16.228 -12.552 121 HA GLN 36 HA GLN 36 -2.472 -16.430 -14.174 122 HB2 GLN 36 2HB GLN 36 -5.359 -16.537 -15.061 123 HB3 GLN 36 3HB GLN 36 -3.979 -17.210 -15.918 124 HG2 GLN 36 2HG GLN 36 -3.604 -18.793 -14.117 125 HG3 GLN 36 3HG GLN 36 -4.947 -18.098 -13.211 126 HE21 GLN 36 1HE2 GLN 36 -7.069 -18.404 -13.977 127 HE22 GLN 36 2HE2 GLN 36 -7.455 -19.698 -15.054 128 H ARG 37 H ARG 37 -4.819 -13.899 -13.855 129 HA ARG 37 HA ARG 37 -4.146 -12.605 -16.339 130 HB2 ARG 37 2HB ARG 37 -6.359 -12.493 -14.908 131 HB3 ARG 37 3HB ARG 37 -5.517 -11.179 -14.097 132 HG2 ARG 37 2HG ARG 37 -6.749 -10.105 -15.738 133 HG3 ARG 37 3HG ARG 37 -5.143 -10.237 -16.457 134 HD2 ARG 37 2HD ARG 37 -5.888 -12.274 -17.646 135 HD3 ARG 37 3HD ARG 37 -7.505 -12.036 -16.985 136 HE ARG 37 HE ARG 37 -6.733 -9.690 -18.300 137 HH11 ARG 37 1HH1 ARG 37 -7.529 -13.001 -19.024 138 HH12 ARG 37 2HH1 ARG 37 -8.128 -12.647 -20.611 139 HH21 ARG 37 1HH2 ARG 37 -7.519 -9.211 -20.387 140 HH22 ARG 37 2HH2 ARG 37 -8.121 -10.491 -21.385 141 H ARG 38 H ARG 38 -3.853 -11.528 -12.946 142 HA ARG 38 HA ARG 38 -2.175 -9.380 -13.376 143 HB2 ARG 38 2HB ARG 38 -2.152 -11.231 -10.984 144 HB3 ARG 38 3HB ARG 38 -1.522 -9.589 -11.026 145 HG2 ARG 38 2HG ARG 38 -4.405 -10.301 -11.511 146 HG3 ARG 38 3HG ARG 38 -3.749 -9.811 -9.948 147 HD2 ARG 38 2HD ARG 38 -3.388 -8.114 -12.394 148 HD3 ARG 38 3HD ARG 38 -4.860 -8.023 -11.429 149 HE ARG 38 HE ARG 38 -2.534 -7.762 -9.813 150 HH11 ARG 38 1HH1 ARG 38 -4.600 -6.036 -12.020 151 HH12 ARG 38 2HH1 ARG 38 -4.235 -4.480 -11.350 152 HH21 ARG 38 1HH2 ARG 38 -2.046 -5.720 -8.922 153 HH22 ARG 38 2HH2 ARG 38 -2.782 -4.302 -9.588 154 H GLY 39 H GLY 39 -1.403 -12.791 -13.217 155 HA2 GLY 39 2HA GLY 39 0.542 -13.548 -14.467 156 HA3 GLY 39 3HA GLY 39 1.383 -12.109 -13.912 157 H THR 40 H THR 40 -0.599 -13.726 -11.621 158 HA THR 40 HA THR 40 1.763 -15.053 -10.464 159 HB THR 40 HB THR 40 1.169 -12.903 -9.279 160 HG1 THR 40 HG1 THR 40 2.280 -14.175 -7.952 161 HG21 THR 40 1HG2 THR 40 -1.177 -14.451 -8.201 162 HG22 THR 40 2HG2 THR 40 -1.332 -13.311 -9.538 163 HG23 THR 40 3HG2 THR 40 -0.783 -12.750 -7.959 164 H THR 41 H THR 41 0.796 -16.376 -8.403 165 HA THR 41 HA THR 41 -1.316 -18.079 -9.551 166 HB THR 41 HB THR 41 -0.390 -19.953 -8.378 167 HG1 THR 41 HG1 THR 41 1.119 -19.756 -6.820 168 HG21 THR 41 1HG2 THR 41 1.904 -20.047 -9.322 169 HG22 THR 41 2HG2 THR 41 1.788 -18.327 -9.693 170 HG23 THR 41 3HG2 THR 41 0.704 -19.475 -10.479 171 H VAL 42 H VAL 42 -2.572 -19.319 -7.848 172 HA VAL 42 HA VAL 42 -4.040 -17.585 -6.262 173 HB VAL 42 HB VAL 42 -3.698 -20.541 -5.749 174 HG11 VAL 42 1HG1 VAL 42 -6.059 -20.322 -4.939 175 HG12 VAL 42 2HG1 VAL 42 -4.856 -19.500 -3.944 176 HG13 VAL 42 3HG1 VAL 42 -5.869 -18.573 -5.052 177 HG21 VAL 42 1HG2 VAL 42 -4.753 -19.185 -8.035 178 HG22 VAL 42 2HG2 VAL 42 -4.631 -20.918 -7.730 179 HG23 VAL 42 3HG2 VAL 42 -6.058 -20.028 -7.199 180 H ASP 43 H ASP 43 -1.206 -19.506 -5.456 181 HA ASP 43 HA ASP 43 -1.205 -19.349 -2.702 182 HB2 ASP 43 2HB ASP 43 1.257 -19.044 -4.430 183 HB3 ASP 43 3HB ASP 43 1.178 -19.683 -2.790 184 H VAL 44 H VAL 44 -0.061 -16.947 -5.039 185 HA VAL 44 HA VAL 44 0.762 -15.102 -2.987 186 HB VAL 44 HB VAL 44 0.367 -14.521 -5.922 187 HG11 VAL 44 1HG1 VAL 44 2.445 -13.000 -5.094 188 HG12 VAL 44 2HG1 VAL 44 0.768 -12.452 -5.130 189 HG13 VAL 44 3HG1 VAL 44 1.469 -13.050 -3.626 190 HG21 VAL 44 1HG2 VAL 44 2.832 -14.954 -6.085 191 HG22 VAL 44 2HG2 VAL 44 2.747 -15.671 -4.476 192 HG23 VAL 44 3HG2 VAL 44 1.844 -16.389 -5.810 193 H ILE 45 H ILE 45 -1.932 -15.345 -5.279 194 HA ILE 45 HA ILE 45 -3.192 -12.930 -4.753 195 HB ILE 45 HB ILE 45 -4.484 -15.582 -5.401 196 HG12 ILE 45 2HG1 ILE 45 -2.800 -14.810 -7.048 197 HG13 ILE 45 3HG1 ILE 45 -4.431 -14.822 -7.711 198 HG21 ILE 45 1HG2 ILE 45 -6.352 -14.198 -6.251 199 HG22 ILE 45 2HG2 ILE 45 -6.130 -14.070 -4.507 200 HG23 ILE 45 3HG2 ILE 45 -5.569 -12.775 -5.565 201 HD11 ILE 45 1HD1 ILE 45 -3.262 -12.844 -8.422 202 HD12 ILE 45 2HD1 ILE 45 -4.571 -12.397 -7.328 203 HD13 ILE 45 3HD1 ILE 45 -2.905 -12.414 -6.749 204 H GLN 46 H GLN 46 -3.089 -15.852 -2.862 205 HA GLN 46 HA GLN 46 -5.140 -14.852 -1.036 206 HB2 GLN 46 2HB GLN 46 -3.770 -17.496 -1.397 207 HB3 GLN 46 3HB GLN 46 -4.590 -17.125 0.113 208 HG2 GLN 46 2HG GLN 46 -6.669 -16.734 -1.120 209 HG3 GLN 46 3HG GLN 46 -5.841 -17.136 -2.624 210 HE21 GLN 46 1HE2 GLN 46 -5.747 -18.619 0.591 211 HE22 GLN 46 2HE2 GLN 46 -6.239 -20.191 0.072 212 H SER 47 H SER 47 -1.720 -15.754 -1.081 213 HA SER 47 HA SER 47 -1.110 -15.428 1.601 214 HB2 SER 47 2HB SER 47 0.579 -16.339 0.220 215 HB3 SER 47 3HB SER 47 0.522 -14.972 -0.894 216 HG SER 47 HG SER 47 2.033 -14.126 0.275 217 H LEU 48 H LEU 48 -1.441 -13.006 -0.932 218 HA LEU 48 HA LEU 48 -0.459 -10.824 0.601 219 HB2 LEU 48 2HB LEU 48 -2.143 -11.017 -1.878 220 HB3 LEU 48 3HB LEU 48 -1.735 -9.467 -1.145 221 HG LEU 48 HG LEU 48 0.247 -11.475 -2.219 222 HD11 LEU 48 1HD1 LEU 48 -1.153 -9.158 -3.409 223 HD12 LEU 48 2HD1 LEU 48 -0.534 -10.625 -4.166 224 HD13 LEU 48 3HD1 LEU 48 0.570 -9.314 -3.753 225 HD21 LEU 48 1HD2 LEU 48 1.608 -9.178 -2.010 226 HD22 LEU 48 2HD2 LEU 48 1.557 -10.388 -0.728 227 HD23 LEU 48 3HD2 LEU 48 0.497 -8.980 -0.655 228 H ASN 49 H ASN 49 -3.515 -12.436 0.391 229 HA ASN 49 HA ASN 49 -4.648 -10.458 2.256 230 HB2 ASN 49 2HB ASN 49 -6.263 -12.029 0.244 231 HB3 ASN 49 3HB ASN 49 -6.813 -10.699 1.259 232 HD21 ASN 49 1HD2 ASN 49 -5.101 -11.607 -1.599 233 HD22 ASN 49 2HD2 ASN 49 -4.939 -10.019 -2.261 234 HA PRO 50 HA PRO 50 -4.564 -14.679 4.196 235 HB2 PRO 50 2HB PRO 50 -3.584 -13.822 6.578 236 HB3 PRO 50 3HB PRO 50 -2.548 -14.258 5.214 237 HG2 PRO 50 2HG PRO 50 -3.430 -11.549 6.133 238 HG3 PRO 50 3HG PRO 50 -1.827 -12.079 5.591 239 HD2 PRO 50 2HD PRO 50 -3.532 -10.719 3.986 240 HD3 PRO 50 3HD PRO 50 -2.393 -11.930 3.362 241 H GLY 51 H GLY 51 -5.889 -11.575 4.994 242 HA2 GLY 51 2HA GLY 51 -7.415 -12.330 7.260 243 HA3 GLY 51 3HA GLY 51 -7.712 -10.933 6.236 244 H VAL 52 H VAL 52 -7.997 -12.567 3.815 245 HA VAL 52 HA VAL 52 -10.742 -13.472 4.309 246 HB VAL 52 HB VAL 52 -11.068 -13.305 1.890 247 HG11 VAL 52 1HG1 VAL 52 -9.749 -10.740 2.675 248 HG12 VAL 52 2HG1 VAL 52 -11.266 -11.004 1.813 249 HG13 VAL 52 3HG1 VAL 52 -11.172 -11.305 3.549 250 HG21 VAL 52 1HG2 VAL 52 -8.855 -13.887 1.119 251 HG22 VAL 52 2HG2 VAL 52 -9.297 -12.303 0.482 252 HG23 VAL 52 3HG2 VAL 52 -8.182 -12.427 1.843 253 H VAL 53 H VAL 53 -11.488 -15.474 3.606 254 HA VAL 53 HA VAL 53 -9.389 -17.423 2.901 255 HB VAL 53 HB VAL 53 -10.955 -19.116 4.018 256 HG11 VAL 53 1HG1 VAL 53 -9.910 -18.818 6.141 257 HG12 VAL 53 2HG1 VAL 53 -8.764 -18.288 4.909 258 HG13 VAL 53 3HG1 VAL 53 -9.667 -17.097 5.845 259 HG21 VAL 53 1HG2 VAL 53 -11.939 -16.759 5.583 260 HG22 VAL 53 2HG2 VAL 53 -12.800 -17.312 4.146 261 HG23 VAL 53 3HG2 VAL 53 -12.583 -18.400 5.517 262 HA PRO 54 HA PRO 54 -11.700 -18.569 -0.651 263 HB2 PRO 54 2HB PRO 54 -11.186 -21.231 -0.795 264 HB3 PRO 54 3HB PRO 54 -9.977 -19.997 -1.170 265 HG2 PRO 54 2HG PRO 54 -10.354 -21.577 1.345 266 HG3 PRO 54 3HG PRO 54 -8.853 -21.175 0.490 267 HD2 PRO 54 2HD PRO 54 -9.684 -19.828 2.688 268 HD3 PRO 54 3HD PRO 54 -8.766 -19.051 1.382 269 H THR 55 H THR 55 -12.268 -20.322 2.329 270 HA THR 55 HA THR 55 -14.602 -21.703 1.455 271 HB THR 55 HB THR 55 -14.773 -21.362 4.248 272 HG1 THR 55 HG1 THR 55 -12.476 -22.218 4.597 273 HG21 THR 55 1HG2 THR 55 -14.970 -23.397 2.533 274 HG22 THR 55 2HG2 THR 55 -14.698 -23.641 4.258 275 HG23 THR 55 3HG2 THR 55 -13.342 -23.711 3.134 276 H ARG 56 H ARG 56 -14.002 -18.603 3.003 277 HA ARG 56 HA ARG 56 -16.890 -18.071 3.050 278 HB2 ARG 56 2HB ARG 56 -14.673 -16.485 4.354 279 HB3 ARG 56 3HB ARG 56 -16.402 -16.265 4.588 280 HG2 ARG 56 2HG ARG 56 -16.112 -18.871 5.276 281 HG3 ARG 56 3HG ARG 56 -14.563 -18.202 5.793 282 HD2 ARG 56 2HD ARG 56 -15.573 -16.701 7.271 283 HD3 ARG 56 3HD ARG 56 -17.148 -16.854 6.493 284 HE ARG 56 HE ARG 56 -16.646 -19.350 7.441 285 HH11 ARG 56 1HH1 ARG 56 -16.695 -16.175 8.867 286 HH12 ARG 56 2HH1 ARG 56 -17.182 -16.742 10.430 287 HH21 ARG 56 1HH2 ARG 56 -17.287 -20.109 9.494 288 HH22 ARG 56 2HH2 ARG 56 -17.518 -18.980 10.786 289 H LEU 57 H LEU 57 -15.629 -18.066 0.560 290 HA LEU 57 HA LEU 57 -14.868 -15.419 -0.207 291 HB2 LEU 57 2HB LEU 57 -14.050 -17.383 -1.394 292 HB3 LEU 57 3HB LEU 57 -15.696 -17.791 -1.874 293 HG LEU 57 HG LEU 57 -15.783 -15.719 -3.217 294 HD11 LEU 57 1HD1 LEU 57 -13.308 -15.205 -1.810 295 HD12 LEU 57 2HD1 LEU 57 -14.340 -14.103 -2.720 296 HD13 LEU 57 3HD1 LEU 57 -13.115 -15.057 -3.557 297 HD21 LEU 57 1HD2 LEU 57 -13.339 -17.231 -4.050 298 HD22 LEU 57 2HD2 LEU 57 -14.663 -16.612 -5.037 299 HD23 LEU 57 3HD2 LEU 57 -14.913 -18.026 -4.013 300 H GLN 58 H GLN 58 -16.046 -13.847 -1.220 301 HA GLN 58 HA GLN 58 -18.860 -14.361 -1.821 302 HB2 GLN 58 2HB GLN 58 -17.971 -12.042 -0.100 303 HB3 GLN 58 3HB GLN 58 -19.619 -12.420 -0.583 304 HG2 GLN 58 2HG GLN 58 -19.065 -14.704 0.623 305 HG3 GLN 58 3HG GLN 58 -17.903 -13.688 1.474 306 HE21 GLN 58 1HE2 GLN 58 -18.924 -13.769 3.433 307 HE22 GLN 58 2HE2 GLN 58 -20.453 -13.024 3.737 308 H VAL 59 H VAL 59 -19.848 -12.672 -3.128 309 HA VAL 59 HA VAL 59 -17.915 -11.548 -4.991 310 HB VAL 59 HB VAL 59 -19.818 -11.088 -6.437 311 HG11 VAL 59 1HG1 VAL 59 -20.031 -13.858 -5.264 312 HG12 VAL 59 2HG1 VAL 59 -20.502 -13.358 -6.890 313 HG13 VAL 59 3HG1 VAL 59 -18.802 -13.343 -6.419 314 HG21 VAL 59 1HG2 VAL 59 -22.090 -11.755 -5.775 315 HG22 VAL 59 2HG2 VAL 59 -21.499 -12.124 -4.155 316 HG23 VAL 59 3HG2 VAL 59 -21.454 -10.466 -4.754 317 H GLY 60 H GLY 60 -17.608 -9.398 -5.382 318 HA2 GLY 60 2HA GLY 60 -18.037 -7.097 -5.238 319 HA3 GLY 60 3HA GLY 60 -19.323 -7.431 -4.088 320 H GLN 61 H GLN 61 -15.919 -8.424 -4.007 321 HA GLN 61 HA GLN 61 -15.550 -6.739 -1.626 322 HB2 GLN 61 2HB GLN 61 -15.985 -9.185 -1.082 323 HB3 GLN 61 3HB GLN 61 -14.442 -9.534 -1.850 324 HG2 GLN 61 2HG GLN 61 -13.240 -8.341 -0.219 325 HG3 GLN 61 3HG GLN 61 -14.700 -7.576 0.407 326 HE21 GLN 61 1HE2 GLN 61 -13.730 -10.918 -0.301 327 HE22 GLN 61 2HE2 GLN 61 -14.152 -11.549 1.250 328 H VAL 62 H VAL 62 -13.638 -5.690 -1.496 329 HA VAL 62 HA VAL 62 -11.889 -5.832 -3.809 330 HB VAL 62 HB VAL 62 -11.671 -4.002 -1.417 331 HG11 VAL 62 1HG1 VAL 62 -10.616 -2.625 -3.453 332 HG12 VAL 62 2HG1 VAL 62 -9.663 -3.697 -2.424 333 HG13 VAL 62 3HG1 VAL 62 -10.240 -4.261 -3.993 334 HG21 VAL 62 1HG2 VAL 62 -12.769 -2.325 -2.912 335 HG22 VAL 62 2HG2 VAL 62 -13.149 -3.643 -4.020 336 HG23 VAL 62 3HG2 VAL 62 -13.825 -3.638 -2.391 337 H ILE 63 H ILE 63 -9.663 -6.224 -3.727 338 HA ILE 63 HA ILE 63 -8.555 -7.247 -1.221 339 HB ILE 63 HB ILE 63 -7.610 -9.224 -2.364 340 HG12 ILE 63 2HG1 ILE 63 -9.580 -8.899 -4.584 341 HG13 ILE 63 3HG1 ILE 63 -8.060 -8.017 -4.683 342 HG21 ILE 63 1HG2 ILE 63 -9.787 -9.225 -1.071 343 HG22 ILE 63 2HG2 ILE 63 -10.603 -9.226 -2.633 344 HG23 ILE 63 3HG2 ILE 63 -9.544 -10.565 -2.192 345 HD11 ILE 63 1HD1 ILE 63 -6.878 -9.864 -5.132 346 HD12 ILE 63 2HD1 ILE 63 -7.802 -10.857 -4.004 347 HD13 ILE 63 3HD1 ILE 63 -8.443 -10.520 -5.611 348 H ASN 64 H ASN 64 -6.139 -7.963 -1.754 349 HA ASN 64 HA ASN 64 -4.950 -5.680 -3.176 350 HB2 ASN 64 2HB ASN 64 -4.172 -7.236 -0.761 351 HB3 ASN 64 3HB ASN 64 -2.871 -6.624 -1.779 352 HD21 ASN 64 1HD2 ASN 64 -4.846 -5.941 0.775 353 HD22 ASN 64 2HD2 ASN 64 -4.685 -4.221 0.803 354 H VAL 65 H VAL 65 -3.499 -5.974 -4.796 355 HA VAL 65 HA VAL 65 -2.528 -8.669 -5.377 356 HB VAL 65 HB VAL 65 -3.086 -8.242 -7.842 357 HG11 VAL 65 1HG1 VAL 65 -5.203 -9.333 -7.648 358 HG12 VAL 65 2HG1 VAL 65 -4.174 -9.920 -6.340 359 HG13 VAL 65 3HG1 VAL 65 -5.427 -8.724 -6.008 360 HG21 VAL 65 1HG2 VAL 65 -5.251 -6.495 -6.710 361 HG22 VAL 65 2HG2 VAL 65 -3.743 -5.828 -7.335 362 HG23 VAL 65 3HG2 VAL 65 -4.809 -6.746 -8.399 363 HA PRO 66 HA PRO 66 1.192 -6.632 -6.510 364 HB2 PRO 66 2HB PRO 66 2.142 -8.279 -8.448 365 HB3 PRO 66 3HB PRO 66 2.130 -8.717 -6.736 366 HG2 PRO 66 2HG PRO 66 0.213 -9.490 -8.901 367 HG3 PRO 66 3HG PRO 66 0.913 -10.492 -7.616 368 HD2 PRO 66 2HD PRO 66 -1.595 -9.480 -7.473 369 HD3 PRO 66 3HD PRO 66 -0.582 -9.731 -6.036 370 H CYS 67 H CYS 67 0.950 -4.702 -7.494 371 HA CYS 67 HA CYS 67 -0.397 -4.279 -9.936 372 HB2 CYS 67 2HB CYS 67 0.312 -2.625 -7.997 373 HB3 CYS 67 3HB CYS 67 1.726 -2.386 -9.019 Start of MODEL 16 1 H1 MET 19 H MET 19 6.101 -0.615 -4.885 2 HA MET 19 HA MET 19 3.659 0.887 -4.381 3 HB2 MET 19 2HB MET 19 5.528 1.564 -6.023 4 HB3 MET 19 3HB MET 19 4.851 0.339 -7.088 5 HG2 MET 19 2HG MET 19 2.781 1.486 -7.232 6 HG3 MET 19 3HG MET 19 3.233 2.592 -5.937 7 HE1 MET 19 1HE MET 19 4.934 4.161 -5.934 8 HE2 MET 19 2HE MET 19 6.316 3.874 -6.992 9 HE3 MET 19 3HE MET 19 5.237 5.235 -7.300 10 H GLY 20 H GLY 20 2.323 -0.861 -3.699 11 HA2 GLY 20 2HA GLY 20 1.752 -2.947 -5.667 12 HA3 GLY 20 3HA GLY 20 1.166 -2.893 -4.011 13 H CYS 21 H CYS 21 -0.634 -3.568 -5.844 14 HA CYS 21 HA CYS 21 -2.317 -1.165 -6.046 15 HB2 CYS 21 2HB CYS 21 -1.650 -3.162 -8.174 16 HB3 CYS 21 3HB CYS 21 -3.241 -2.407 -8.176 17 H THR 22 H THR 22 -4.660 -1.746 -6.366 18 HA THR 22 HA THR 22 -5.309 -4.190 -4.849 19 HB THR 22 HB THR 22 -7.248 -3.032 -3.915 20 HG1 THR 22 HG1 THR 22 -7.853 -1.444 -5.237 21 HG21 THR 22 1HG2 THR 22 -5.708 -2.687 -2.312 22 HG22 THR 22 2HG2 THR 22 -5.708 -1.021 -2.890 23 HG23 THR 22 3HG2 THR 22 -4.487 -2.154 -3.467 24 H TYR 23 H TYR 23 -7.093 -5.390 -5.482 25 HA TYR 23 HA TYR 23 -8.275 -4.636 -8.075 26 HB2 TYR 23 2HB TYR 23 -6.828 -6.506 -8.454 27 HB3 TYR 23 3HB TYR 23 -7.465 -7.360 -7.053 28 HD1 TYR 23 HD1 TYR 23 -9.615 -8.491 -7.155 29 HD2 TYR 23 HD2 TYR 23 -8.068 -6.430 -10.541 30 HE1 TYR 23 HE1 TYR 23 -11.265 -9.619 -8.588 31 HE2 TYR 23 HE2 TYR 23 -9.715 -7.551 -11.983 32 HH TYR 23 HH TYR 23 -11.082 -9.991 -11.662 33 H THR 24 H THR 24 -10.457 -5.096 -8.412 34 HA THR 24 HA THR 24 -11.995 -5.479 -5.940 35 HB THR 24 HB THR 24 -13.117 -4.507 -8.562 36 HG1 THR 24 HG1 THR 24 -11.307 -3.184 -7.761 37 HG21 THR 24 1HG2 THR 24 -14.192 -3.404 -6.107 38 HG22 THR 24 2HG2 THR 24 -14.283 -5.166 -6.125 39 HG23 THR 24 3HG2 THR 24 -15.020 -4.231 -7.426 40 H ILE 25 H ILE 25 -12.767 -7.449 -5.599 41 HA ILE 25 HA ILE 25 -13.072 -9.327 -7.783 42 HB ILE 25 HB ILE 25 -13.749 -9.766 -4.876 43 HG12 ILE 25 2HG1 ILE 25 -11.137 -10.302 -6.307 44 HG13 ILE 25 3HG1 ILE 25 -11.407 -9.013 -5.140 45 HG21 ILE 25 1HG2 ILE 25 -12.757 -12.038 -6.342 46 HG22 ILE 25 2HG2 ILE 25 -14.269 -11.846 -5.457 47 HG23 ILE 25 3HG2 ILE 25 -14.163 -11.337 -7.142 48 HD11 ILE 25 1HD1 ILE 25 -11.573 -11.965 -4.582 49 HD12 ILE 25 2HD1 ILE 25 -10.255 -10.885 -4.124 50 HD13 ILE 25 3HD1 ILE 25 -11.855 -10.676 -3.411 51 H GLN 26 H GLN 26 -14.848 -9.162 -8.993 52 HA GLN 26 HA GLN 26 -17.412 -8.612 -7.658 53 HB2 GLN 26 2HB GLN 26 -16.318 -7.914 -10.337 54 HB3 GLN 26 3HB GLN 26 -18.045 -8.221 -10.216 55 HG2 GLN 26 2HG GLN 26 -17.884 -6.550 -8.205 56 HG3 GLN 26 3HG GLN 26 -16.420 -6.028 -9.036 57 HE21 GLN 26 1HE2 GLN 26 -17.643 -4.002 -9.183 58 HE22 GLN 26 2HE2 GLN 26 -18.726 -3.788 -10.512 59 HA PRO 27 HA PRO 27 -19.344 -12.446 -8.488 60 HB2 PRO 27 2HB PRO 27 -21.169 -11.046 -10.387 61 HB3 PRO 27 3HB PRO 27 -21.558 -12.102 -9.024 62 HG2 PRO 27 2HG PRO 27 -21.822 -9.439 -8.852 63 HG3 PRO 27 3HG PRO 27 -21.295 -10.416 -7.469 64 HD2 PRO 27 2HD PRO 27 -19.745 -8.587 -9.194 65 HD3 PRO 27 3HD PRO 27 -19.497 -9.040 -7.496 66 H GLY 28 H GLY 28 -17.810 -13.588 -9.638 67 HA2 GLY 28 2HA GLY 28 -17.990 -14.861 -11.828 68 HA3 GLY 28 3HA GLY 28 -17.857 -13.274 -12.573 69 H ASP 29 H ASP 29 -15.937 -12.581 -10.281 70 HA ASP 29 HA ASP 29 -13.560 -13.592 -11.652 71 HB2 ASP 29 2HB ASP 29 -13.558 -11.522 -9.468 72 HB3 ASP 29 3HB ASP 29 -12.385 -11.760 -10.761 73 H THR 30 H THR 30 -12.365 -15.168 -10.827 74 HA THR 30 HA THR 30 -12.719 -15.851 -7.983 75 HB THR 30 HB THR 30 -12.074 -18.126 -8.529 76 HG1 THR 30 HG1 THR 30 -11.275 -18.669 -10.452 77 HG21 THR 30 1HG2 THR 30 -14.024 -17.572 -10.699 78 HG22 THR 30 2HG2 THR 30 -14.461 -17.071 -9.066 79 HG23 THR 30 3HG2 THR 30 -14.086 -18.761 -9.399 80 H PHE 31 H PHE 31 -10.834 -16.718 -6.861 81 HA PHE 31 HA PHE 31 -8.632 -15.055 -6.933 82 HB2 PHE 31 2HB PHE 31 -9.166 -17.741 -5.753 83 HB3 PHE 31 3HB PHE 31 -7.501 -17.171 -5.783 84 HD1 PHE 31 HD1 PHE 31 -10.734 -15.417 -5.177 85 HD2 PHE 31 HD2 PHE 31 -6.909 -16.511 -3.663 86 HE1 PHE 31 HE1 PHE 31 -11.159 -14.086 -3.151 87 HE2 PHE 31 HE2 PHE 31 -7.328 -15.183 -1.635 88 HZ PHE 31 HZ PHE 31 -9.455 -13.969 -1.377 89 H TRP 32 H TRP 32 -8.659 -18.449 -8.037 90 HA TRP 32 HA TRP 32 -6.162 -18.497 -9.210 91 HB2 TRP 32 2HB TRP 32 -7.401 -20.536 -8.934 92 HB3 TRP 32 3HB TRP 32 -8.688 -19.960 -9.990 93 HD1 TRP 32 HD1 TRP 32 -4.870 -20.631 -10.349 94 HE1 TRP 32 HE1 TRP 32 -4.479 -21.714 -12.651 95 HE3 TRP 32 HE3 TRP 32 -9.679 -20.611 -12.083 96 HZ2 TRP 32 HZ2 TRP 32 -6.007 -22.460 -14.904 97 HZ3 TRP 32 HZ3 TRP 32 -10.130 -21.527 -14.322 98 HH2 TRP 32 HH2 TRP 32 -8.330 -22.432 -15.702 99 H ALA 33 H ALA 33 -9.221 -17.379 -10.566 100 HA ALA 33 HA ALA 33 -8.355 -17.016 -13.217 101 HB1 ALA 33 1HB ALA 33 -10.713 -17.034 -12.583 102 HB2 ALA 33 2HB ALA 33 -10.496 -15.512 -11.717 103 HB3 ALA 33 3HB ALA 33 -10.300 -15.566 -13.469 104 H ILE 34 H ILE 34 -8.347 -14.839 -10.422 105 HA ILE 34 HA ILE 34 -7.339 -12.595 -11.862 106 HB ILE 34 HB ILE 34 -7.293 -13.140 -8.891 107 HG12 ILE 34 2HG1 ILE 34 -9.200 -11.340 -10.372 108 HG13 ILE 34 3HG1 ILE 34 -9.544 -13.051 -10.140 109 HG21 ILE 34 1HG2 ILE 34 -6.366 -10.887 -10.540 110 HG22 ILE 34 2HG2 ILE 34 -7.339 -10.451 -9.137 111 HG23 ILE 34 3HG2 ILE 34 -5.866 -11.398 -8.928 112 HD11 ILE 34 1HD1 ILE 34 -9.084 -11.032 -7.957 113 HD12 ILE 34 2HD1 ILE 34 -10.641 -11.695 -8.456 114 HD13 ILE 34 3HD1 ILE 34 -9.429 -12.746 -7.724 115 H ALA 35 H ALA 35 -5.898 -15.323 -10.262 116 HA ALA 35 HA ALA 35 -3.277 -14.237 -9.998 117 HB1 ALA 35 1HB ALA 35 -4.556 -16.500 -9.093 118 HB2 ALA 35 2HB ALA 35 -3.389 -17.133 -10.255 119 HB3 ALA 35 3HB ALA 35 -2.841 -16.135 -8.908 120 H GLN 36 H GLN 36 -4.591 -16.685 -12.243 121 HA GLN 36 HA GLN 36 -2.346 -16.861 -13.887 122 HB2 GLN 36 2HB GLN 36 -3.872 -17.811 -15.574 123 HB3 GLN 36 3HB GLN 36 -4.138 -18.500 -13.978 124 HG2 GLN 36 2HG GLN 36 -6.291 -18.139 -14.537 125 HG3 GLN 36 3HG GLN 36 -5.936 -16.546 -13.870 126 HE21 GLN 36 1HE2 GLN 36 -7.209 -15.267 -15.061 127 HE22 GLN 36 2HE2 GLN 36 -7.144 -15.134 -16.783 128 H ARG 37 H ARG 37 -4.829 -14.455 -13.712 129 HA ARG 37 HA ARG 37 -4.246 -13.322 -16.304 130 HB2 ARG 37 2HB ARG 37 -6.516 -13.220 -15.324 131 HB3 ARG 37 3HB ARG 37 -5.895 -12.205 -14.029 132 HG2 ARG 37 2HG ARG 37 -5.398 -10.439 -15.560 133 HG3 ARG 37 3HG ARG 37 -5.778 -11.467 -16.943 134 HD2 ARG 37 2HD ARG 37 -8.106 -11.616 -16.171 135 HD3 ARG 37 3HD ARG 37 -7.715 -10.555 -14.818 136 HE ARG 37 HE ARG 37 -6.974 -9.082 -16.942 137 HH11 ARG 37 1HH1 ARG 37 -9.891 -10.830 -16.197 138 HH12 ARG 37 2HH1 ARG 37 -10.917 -9.758 -17.091 139 HH21 ARG 37 1HH2 ARG 37 -8.315 -7.663 -18.123 140 HH22 ARG 37 2HH2 ARG 37 -10.019 -7.958 -18.187 141 H ARG 38 H ARG 38 -3.982 -12.108 -12.956 142 HA ARG 38 HA ARG 38 -2.510 -9.819 -13.534 143 HB2 ARG 38 2HB ARG 38 -2.553 -11.538 -11.052 144 HB3 ARG 38 3HB ARG 38 -1.745 -9.979 -11.140 145 HG2 ARG 38 2HG ARG 38 -4.671 -10.354 -11.715 146 HG3 ARG 38 3HG ARG 38 -4.032 -9.958 -10.118 147 HD2 ARG 38 2HD ARG 38 -3.271 -8.295 -12.481 148 HD3 ARG 38 3HD ARG 38 -4.842 -8.060 -11.716 149 HE ARG 38 HE ARG 38 -2.798 -8.046 -9.766 150 HH11 ARG 38 1HH1 ARG 38 -4.141 -6.108 -12.328 151 HH12 ARG 38 2HH1 ARG 38 -3.661 -4.603 -11.617 152 HH21 ARG 38 1HH2 ARG 38 -2.161 -6.071 -8.821 153 HH22 ARG 38 2HH2 ARG 38 -2.534 -4.583 -9.623 154 H GLY 39 H GLY 39 -1.482 -13.144 -13.155 155 HA2 GLY 39 2HA GLY 39 0.530 -13.808 -14.369 156 HA3 GLY 39 3HA GLY 39 1.257 -12.291 -13.858 157 H THR 40 H THR 40 -0.645 -13.953 -11.533 158 HA THR 40 HA THR 40 1.774 -15.092 -10.303 159 HB THR 40 HB THR 40 1.083 -12.917 -9.222 160 HG1 THR 40 HG1 THR 40 1.991 -13.789 -7.527 161 HG21 THR 40 1HG2 THR 40 -0.877 -12.795 -7.901 162 HG22 THR 40 2HG2 THR 40 -1.201 -14.519 -8.088 163 HG23 THR 40 3HG2 THR 40 -1.393 -13.431 -9.462 164 H THR 41 H THR 41 0.873 -16.364 -8.187 165 HA THR 41 HA THR 41 -1.185 -18.193 -9.236 166 HB THR 41 HB THR 41 -0.158 -19.994 -8.036 167 HG1 THR 41 HG1 THR 41 1.394 -19.693 -6.531 168 HG21 THR 41 1HG2 THR 41 0.870 -19.549 -10.172 169 HG22 THR 41 2HG2 THR 41 2.125 -20.017 -9.025 170 HG23 THR 41 3HG2 THR 41 1.913 -18.320 -9.458 171 H VAL 42 H VAL 42 -2.323 -19.442 -7.443 172 HA VAL 42 HA VAL 42 -3.832 -17.717 -5.881 173 HB VAL 42 HB VAL 42 -3.328 -20.656 -5.395 174 HG11 VAL 42 1HG1 VAL 42 -4.294 -19.830 -3.422 175 HG12 VAL 42 2HG1 VAL 42 -5.369 -18.742 -4.303 176 HG13 VAL 42 3HG1 VAL 42 -5.646 -20.484 -4.345 177 HG21 VAL 42 1HG2 VAL 42 -4.444 -20.967 -7.293 178 HG22 VAL 42 2HG2 VAL 42 -5.858 -20.262 -6.509 179 HG23 VAL 42 3HG2 VAL 42 -4.771 -19.241 -7.450 180 H ASP 43 H ASP 43 -0.875 -19.448 -5.105 181 HA ASP 43 HA ASP 43 -0.801 -19.212 -2.358 182 HB2 ASP 43 2HB ASP 43 1.560 -18.842 -4.211 183 HB3 ASP 43 3HB ASP 43 1.616 -19.352 -2.526 184 H VAL 44 H VAL 44 0.147 -16.817 -4.791 185 HA VAL 44 HA VAL 44 0.892 -14.866 -2.806 186 HB VAL 44 HB VAL 44 0.431 -14.399 -5.751 187 HG11 VAL 44 1HG1 VAL 44 1.530 -12.814 -3.515 188 HG12 VAL 44 2HG1 VAL 44 2.404 -12.723 -5.045 189 HG13 VAL 44 3HG1 VAL 44 0.695 -12.290 -4.977 190 HG21 VAL 44 1HG2 VAL 44 2.644 -15.729 -4.313 191 HG22 VAL 44 2HG2 VAL 44 2.071 -15.948 -5.967 192 HG23 VAL 44 3HG2 VAL 44 3.097 -14.572 -5.564 193 H ILE 45 H ILE 45 -1.808 -15.328 -5.058 194 HA ILE 45 HA ILE 45 -3.196 -12.973 -4.580 195 HB ILE 45 HB ILE 45 -4.341 -15.709 -5.154 196 HG12 ILE 45 2HG1 ILE 45 -2.717 -14.880 -6.834 197 HG13 ILE 45 3HG1 ILE 45 -4.349 -15.002 -7.481 198 HG21 ILE 45 1HG2 ILE 45 -6.048 -14.239 -4.266 199 HG22 ILE 45 2HG2 ILE 45 -5.589 -12.977 -5.408 200 HG23 ILE 45 3HG2 ILE 45 -6.302 -14.479 -5.994 201 HD11 ILE 45 1HD1 ILE 45 -2.947 -12.491 -6.601 202 HD12 ILE 45 2HD1 ILE 45 -3.321 -12.977 -8.255 203 HD13 ILE 45 3HD1 ILE 45 -4.625 -12.577 -7.137 204 H GLN 46 H GLN 46 -2.876 -15.812 -2.603 205 HA GLN 46 HA GLN 46 -4.979 -14.896 -0.788 206 HB2 GLN 46 2HB GLN 46 -3.344 -17.438 -0.804 207 HB3 GLN 46 3HB GLN 46 -4.600 -17.061 0.368 208 HG2 GLN 46 2HG GLN 46 -6.016 -16.736 -1.863 209 HG3 GLN 46 3HG GLN 46 -4.826 -17.893 -2.458 210 HE21 GLN 46 1HE2 GLN 46 -6.553 -17.472 0.615 211 HE22 GLN 46 2HE2 GLN 46 -7.172 -19.084 0.684 212 H SER 47 H SER 47 -1.513 -15.601 -0.847 213 HA SER 47 HA SER 47 -0.898 -15.171 1.819 214 HB2 SER 47 2HB SER 47 0.793 -16.031 0.360 215 HB3 SER 47 3HB SER 47 0.710 -14.608 -0.678 216 HG SER 47 HG SER 47 2.503 -14.670 0.853 217 H LEU 48 H LEU 48 -1.384 -12.838 -0.773 218 HA LEU 48 HA LEU 48 -0.535 -10.570 0.730 219 HB2 LEU 48 2HB LEU 48 -1.881 -11.049 -1.866 220 HB3 LEU 48 3HB LEU 48 -2.084 -9.457 -1.136 221 HG LEU 48 HG LEU 48 0.647 -10.628 -1.543 222 HD11 LEU 48 1HD1 LEU 48 -0.420 -10.756 -3.710 223 HD12 LEU 48 2HD1 LEU 48 0.747 -9.435 -3.691 224 HD13 LEU 48 3HD1 LEU 48 -0.977 -9.089 -3.564 225 HD21 LEU 48 1HD2 LEU 48 0.503 -8.684 -0.122 226 HD22 LEU 48 2HD2 LEU 48 -0.441 -7.822 -1.337 227 HD23 LEU 48 3HD2 LEU 48 1.245 -8.232 -1.657 228 H ASN 49 H ASN 49 -3.475 -12.367 0.505 229 HA ASN 49 HA ASN 49 -4.790 -10.382 2.240 230 HB2 ASN 49 2HB ASN 49 -6.190 -12.177 0.249 231 HB3 ASN 49 3HB ASN 49 -6.924 -10.916 1.234 232 HD21 ASN 49 1HD2 ASN 49 -4.926 -11.608 -1.520 233 HD22 ASN 49 2HD2 ASN 49 -4.979 -10.025 -2.211 234 HA PRO 50 HA PRO 50 -4.430 -14.452 4.448 235 HB2 PRO 50 2HB PRO 50 -3.600 -13.369 6.795 236 HB3 PRO 50 3HB PRO 50 -2.489 -13.799 5.489 237 HG2 PRO 50 2HG PRO 50 -3.620 -11.123 6.210 238 HG3 PRO 50 3HG PRO 50 -1.963 -11.548 5.745 239 HD2 PRO 50 2HD PRO 50 -3.723 -10.438 4.012 240 HD3 PRO 50 3HD PRO 50 -2.469 -11.585 3.496 241 H GLY 51 H GLY 51 -6.102 -11.476 4.899 242 HA2 GLY 51 2HA GLY 51 -7.750 -12.539 7.067 243 HA3 GLY 51 3HA GLY 51 -7.799 -10.901 6.432 244 H VAL 52 H VAL 52 -7.936 -13.835 4.493 245 HA VAL 52 HA VAL 52 -10.785 -13.803 4.214 246 HB VAL 52 HB VAL 52 -10.337 -11.884 2.811 247 HG11 VAL 52 1HG1 VAL 52 -8.019 -12.224 2.287 248 HG12 VAL 52 2HG1 VAL 52 -8.394 -13.690 1.379 249 HG13 VAL 52 3HG1 VAL 52 -8.925 -12.119 0.778 250 HG21 VAL 52 1HG2 VAL 52 -10.802 -14.175 0.926 251 HG22 VAL 52 2HG2 VAL 52 -11.999 -13.703 2.133 252 HG23 VAL 52 3HG2 VAL 52 -11.502 -12.556 0.888 253 H VAL 53 H VAL 53 -11.520 -15.715 3.447 254 HA VAL 53 HA VAL 53 -9.534 -17.563 2.292 255 HB VAL 53 HB VAL 53 -10.980 -19.390 3.359 256 HG11 VAL 53 1HG1 VAL 53 -9.878 -18.457 5.728 257 HG12 VAL 53 2HG1 VAL 53 -9.084 -19.477 4.526 258 HG13 VAL 53 3HG1 VAL 53 -8.886 -17.725 4.467 259 HG21 VAL 53 1HG2 VAL 53 -12.726 -17.515 3.950 260 HG22 VAL 53 2HG2 VAL 53 -12.484 -18.896 5.020 261 HG23 VAL 53 3HG2 VAL 53 -11.728 -17.347 5.394 262 HA PRO 54 HA PRO 54 -12.257 -18.247 -1.082 263 HB2 PRO 54 2HB PRO 54 -11.797 -20.867 -1.626 264 HB3 PRO 54 3HB PRO 54 -10.625 -19.592 -1.979 265 HG2 PRO 54 2HG PRO 54 -10.726 -21.484 0.339 266 HG3 PRO 54 3HG PRO 54 -9.330 -20.972 -0.626 267 HD2 PRO 54 2HD PRO 54 -9.882 -19.922 1.808 268 HD3 PRO 54 3HD PRO 54 -9.113 -18.980 0.514 269 H THR 55 H THR 55 -12.475 -20.439 1.656 270 HA THR 55 HA THR 55 -14.823 -21.796 0.962 271 HB THR 55 HB THR 55 -14.301 -21.100 3.823 272 HG1 THR 55 HG1 THR 55 -12.530 -22.405 3.892 273 HG21 THR 55 1HG2 THR 55 -16.104 -22.716 2.806 274 HG22 THR 55 2HG2 THR 55 -15.234 -23.160 4.274 275 HG23 THR 55 3HG2 THR 55 -14.748 -23.839 2.721 276 H ARG 56 H ARG 56 -14.308 -18.598 2.232 277 HA ARG 56 HA ARG 56 -17.221 -18.237 2.480 278 HB2 ARG 56 2HB ARG 56 -15.122 -16.442 3.688 279 HB3 ARG 56 3HB ARG 56 -16.836 -16.516 4.073 280 HG2 ARG 56 2HG ARG 56 -16.476 -18.803 4.972 281 HG3 ARG 56 3HG ARG 56 -14.745 -18.583 4.709 282 HD2 ARG 56 2HD ARG 56 -14.966 -16.482 6.134 283 HD3 ARG 56 3HD ARG 56 -16.556 -17.093 6.588 284 HE ARG 56 HE ARG 56 -14.922 -19.183 7.109 285 HH11 ARG 56 1HH1 ARG 56 -14.861 -15.819 8.003 286 HH12 ARG 56 2HH1 ARG 56 -14.060 -16.100 9.513 287 HH21 ARG 56 1HH2 ARG 56 -13.867 -19.566 9.094 288 HH22 ARG 56 2HH2 ARG 56 -13.494 -18.232 10.132 289 H LEU 57 H LEU 57 -15.760 -18.139 -0.010 290 HA LEU 57 HA LEU 57 -15.057 -15.624 -0.904 291 HB2 LEU 57 2HB LEU 57 -14.937 -17.848 -2.125 292 HB3 LEU 57 3HB LEU 57 -16.625 -17.584 -2.559 293 HG LEU 57 HG LEU 57 -14.585 -15.507 -3.236 294 HD11 LEU 57 1HD1 LEU 57 -15.157 -17.567 -5.272 295 HD12 LEU 57 2HD1 LEU 57 -14.052 -18.024 -3.977 296 HD13 LEU 57 3HD1 LEU 57 -13.695 -16.623 -4.986 297 HD21 LEU 57 1HD2 LEU 57 -16.790 -14.825 -3.663 298 HD22 LEU 57 2HD2 LEU 57 -17.245 -16.402 -4.310 299 HD23 LEU 57 3HD2 LEU 57 -16.168 -15.348 -5.228 300 H GLN 58 H GLN 58 -16.110 -13.773 -1.170 301 HA GLN 58 HA GLN 58 -19.034 -13.844 -1.491 302 HB2 GLN 58 2HB GLN 58 -17.395 -12.095 0.333 303 HB3 GLN 58 3HB GLN 58 -19.026 -11.660 -0.161 304 HG2 GLN 58 2HG GLN 58 -18.477 -14.323 1.078 305 HG3 GLN 58 3HG GLN 58 -18.662 -12.884 2.079 306 HE21 GLN 58 1HE2 GLN 58 -20.657 -11.940 2.292 307 HE22 GLN 58 2HE2 GLN 58 -22.114 -12.679 1.732 308 H VAL 59 H VAL 59 -19.573 -13.010 -3.386 309 HA VAL 59 HA VAL 59 -17.827 -11.586 -5.060 310 HB VAL 59 HB VAL 59 -19.725 -11.196 -6.507 311 HG11 VAL 59 1HG1 VAL 59 -20.492 -13.483 -6.817 312 HG12 VAL 59 2HG1 VAL 59 -18.770 -13.456 -6.435 313 HG13 VAL 59 3HG1 VAL 59 -19.943 -13.904 -5.195 314 HG21 VAL 59 1HG2 VAL 59 -22.011 -11.896 -5.756 315 HG22 VAL 59 2HG2 VAL 59 -21.374 -11.993 -4.114 316 HG23 VAL 59 3HG2 VAL 59 -21.386 -10.449 -4.965 317 H GLY 60 H GLY 60 -17.499 -9.448 -5.441 318 HA2 GLY 60 2HA GLY 60 -17.933 -7.145 -5.335 319 HA3 GLY 60 3HA GLY 60 -19.237 -7.466 -4.201 320 H GLN 61 H GLN 61 -15.826 -8.437 -4.065 321 HA GLN 61 HA GLN 61 -15.505 -6.736 -1.690 322 HB2 GLN 61 2HB GLN 61 -15.920 -9.208 -1.172 323 HB3 GLN 61 3HB GLN 61 -14.332 -9.504 -1.867 324 HG2 GLN 61 2HG GLN 61 -13.693 -7.565 -0.142 325 HG3 GLN 61 3HG GLN 61 -15.081 -8.255 0.698 326 HE21 GLN 61 1HE2 GLN 61 -14.856 -10.900 0.087 327 HE22 GLN 61 2HE2 GLN 61 -13.407 -11.542 0.774 328 H VAL 62 H VAL 62 -13.606 -5.665 -1.544 329 HA VAL 62 HA VAL 62 -11.818 -5.820 -3.830 330 HB VAL 62 HB VAL 62 -11.713 -3.937 -1.470 331 HG11 VAL 62 1HG1 VAL 62 -9.625 -3.759 -2.407 332 HG12 VAL 62 2HG1 VAL 62 -10.197 -4.161 -4.027 333 HG13 VAL 62 3HG1 VAL 62 -10.510 -2.562 -3.352 334 HG21 VAL 62 1HG2 VAL 62 -13.624 -3.144 -2.347 335 HG22 VAL 62 2HG2 VAL 62 -12.569 -2.447 -3.577 336 HG23 VAL 62 3HG2 VAL 62 -13.386 -3.980 -3.882 337 H ILE 63 H ILE 63 -9.627 -6.269 -3.732 338 HA ILE 63 HA ILE 63 -8.526 -7.181 -1.177 339 HB ILE 63 HB ILE 63 -7.566 -9.191 -2.245 340 HG12 ILE 63 2HG1 ILE 63 -9.516 -8.945 -4.493 341 HG13 ILE 63 3HG1 ILE 63 -7.997 -8.063 -4.606 342 HG21 ILE 63 1HG2 ILE 63 -10.562 -9.186 -2.522 343 HG22 ILE 63 2HG2 ILE 63 -9.513 -10.532 -2.077 344 HG23 ILE 63 3HG2 ILE 63 -9.735 -9.183 -0.964 345 HD11 ILE 63 1HD1 ILE 63 -8.515 -10.795 -5.152 346 HD12 ILE 63 2HD1 ILE 63 -7.004 -9.900 -5.316 347 HD13 ILE 63 3HD1 ILE 63 -7.393 -10.701 -3.794 348 H ASN 64 H ASN 64 -6.103 -7.921 -1.685 349 HA ASN 64 HA ASN 64 -4.908 -5.674 -3.158 350 HB2 ASN 64 2HB ASN 64 -4.126 -7.179 -0.708 351 HB3 ASN 64 3HB ASN 64 -2.835 -6.556 -1.731 352 HD21 ASN 64 1HD2 ASN 64 -5.507 -5.743 0.332 353 HD22 ASN 64 2HD2 ASN 64 -5.114 -4.071 0.521 354 H VAL 65 H VAL 65 -3.432 -6.009 -4.752 355 HA VAL 65 HA VAL 65 -2.460 -8.717 -5.258 356 HB VAL 65 HB VAL 65 -3.009 -8.363 -7.736 357 HG11 VAL 65 1HG1 VAL 65 -5.258 -8.856 -5.786 358 HG12 VAL 65 2HG1 VAL 65 -5.232 -9.347 -7.481 359 HG13 VAL 65 3HG1 VAL 65 -4.086 -10.051 -6.339 360 HG21 VAL 65 1HG2 VAL 65 -5.281 -6.685 -6.781 361 HG22 VAL 65 2HG2 VAL 65 -3.734 -5.916 -7.134 362 HG23 VAL 65 3HG2 VAL 65 -4.578 -6.816 -8.393 363 HA PRO 66 HA PRO 66 1.258 -6.701 -6.434 364 HB2 PRO 66 2HB PRO 66 2.221 -8.400 -8.320 365 HB3 PRO 66 3HB PRO 66 2.204 -8.788 -6.596 366 HG2 PRO 66 2HG PRO 66 0.299 -9.630 -8.745 367 HG3 PRO 66 3HG PRO 66 0.996 -10.592 -7.429 368 HD2 PRO 66 2HD PRO 66 -1.515 -9.585 -7.325 369 HD3 PRO 66 3HD PRO 66 -0.508 -9.790 -5.878 370 H CYS 67 H CYS 67 0.989 -4.798 -7.468 371 HA CYS 67 HA CYS 67 -0.366 -4.402 -9.887 372 HB2 CYS 67 2HB CYS 67 0.530 -2.727 -8.025 373 HB3 CYS 67 3HB CYS 67 1.873 -2.574 -9.152 Start of MODEL 17 1 H1 MET 19 H MET 19 0.482 0.213 -0.398 2 HA MET 19 HA MET 19 2.352 0.458 -2.552 3 HB2 MET 19 2HB MET 19 1.914 -1.579 -0.383 4 HB3 MET 19 3HB MET 19 3.093 -1.846 -1.661 5 HG2 MET 19 2HG MET 19 4.399 -0.928 -0.024 6 HG3 MET 19 3HG MET 19 3.972 0.499 -0.965 7 HE1 MET 19 1HE MET 19 3.834 2.301 -0.064 8 HE2 MET 19 2HE MET 19 2.388 2.788 0.821 9 HE3 MET 19 3HE MET 19 3.915 2.574 1.677 10 H GLY 20 H GLY 20 2.514 -0.717 -4.416 11 HA2 GLY 20 2HA GLY 20 1.854 -2.043 -6.171 12 HA3 GLY 20 3HA GLY 20 1.076 -3.077 -4.982 13 H CYS 21 H CYS 21 -0.679 -3.453 -6.376 14 HA CYS 21 HA CYS 21 -2.534 -1.174 -6.577 15 HB2 CYS 21 2HB CYS 21 -1.810 -3.236 -8.635 16 HB3 CYS 21 3HB CYS 21 -3.401 -2.482 -8.661 17 H THR 22 H THR 22 -4.816 -1.788 -6.658 18 HA THR 22 HA THR 22 -5.321 -4.290 -5.182 19 HB THR 22 HB THR 22 -7.325 -3.145 -4.227 20 HG1 THR 22 HG1 THR 22 -6.128 -0.748 -5.182 21 HG21 THR 22 1HG2 THR 22 -4.896 -3.204 -3.228 22 HG22 THR 22 2HG2 THR 22 -6.151 -2.225 -2.468 23 HG23 THR 22 3HG2 THR 22 -4.958 -1.467 -3.522 24 H TYR 23 H TYR 23 -7.014 -5.581 -5.805 25 HA TYR 23 HA TYR 23 -8.338 -4.828 -8.327 26 HB2 TYR 23 2HB TYR 23 -6.904 -6.720 -8.690 27 HB3 TYR 23 3HB TYR 23 -7.539 -7.543 -7.270 28 HD1 TYR 23 HD1 TYR 23 -8.188 -6.629 -10.759 29 HD2 TYR 23 HD2 TYR 23 -9.687 -8.666 -7.337 30 HE1 TYR 23 HE1 TYR 23 -9.868 -7.746 -12.167 31 HE2 TYR 23 HE2 TYR 23 -11.369 -9.789 -8.735 32 HH TYR 23 HH TYR 23 -11.220 -9.985 -11.993 33 H THR 24 H THR 24 -10.531 -5.220 -8.577 34 HA THR 24 HA THR 24 -12.000 -5.562 -6.060 35 HB THR 24 HB THR 24 -13.132 -4.582 -8.680 36 HG1 THR 24 HG1 THR 24 -12.869 -2.469 -7.505 37 HG21 THR 24 1HG2 THR 24 -14.107 -3.880 -5.937 38 HG22 THR 24 2HG2 THR 24 -14.569 -5.414 -6.676 39 HG23 THR 24 3HG2 THR 24 -14.985 -3.894 -7.466 40 H ILE 25 H ILE 25 -12.674 -7.566 -5.678 41 HA ILE 25 HA ILE 25 -13.119 -9.444 -7.827 42 HB ILE 25 HB ILE 25 -13.660 -9.858 -4.888 43 HG12 ILE 25 2HG1 ILE 25 -11.119 -10.383 -6.448 44 HG13 ILE 25 3HG1 ILE 25 -11.336 -9.127 -5.234 45 HG21 ILE 25 1HG2 ILE 25 -12.778 -12.060 -6.638 46 HG22 ILE 25 2HG2 ILE 25 -13.978 -12.045 -5.346 47 HG23 ILE 25 3HG2 ILE 25 -14.396 -11.428 -6.945 48 HD11 ILE 25 1HD1 ILE 25 -10.141 -10.985 -4.288 49 HD12 ILE 25 2HD1 ILE 25 -11.739 -10.876 -3.548 50 HD13 ILE 25 3HD1 ILE 25 -11.418 -12.099 -4.777 51 H GLN 26 H GLN 26 -14.943 -9.211 -8.963 52 HA GLN 26 HA GLN 26 -17.445 -8.695 -7.503 53 HB2 GLN 26 2HB GLN 26 -16.469 -7.934 -10.210 54 HB3 GLN 26 3HB GLN 26 -18.189 -8.244 -10.021 55 HG2 GLN 26 2HG GLN 26 -17.972 -6.620 -7.996 56 HG3 GLN 26 3HG GLN 26 -16.509 -6.093 -8.827 57 HE21 GLN 26 1HE2 GLN 26 -17.317 -4.063 -9.273 58 HE22 GLN 26 2HE2 GLN 26 -18.560 -3.790 -10.440 59 HA PRO 27 HA PRO 27 -19.413 -12.509 -8.341 60 HB2 PRO 27 2HB PRO 27 -21.329 -11.060 -10.109 61 HB3 PRO 27 3HB PRO 27 -21.651 -12.154 -8.758 62 HG2 PRO 27 2HG PRO 27 -21.912 -9.503 -8.493 63 HG3 PRO 27 3HG PRO 27 -21.301 -10.513 -7.170 64 HD2 PRO 27 2HD PRO 27 -19.852 -8.638 -8.938 65 HD3 PRO 27 3HD PRO 27 -19.515 -9.119 -7.263 66 H GLY 28 H GLY 28 -17.995 -13.668 -9.594 67 HA2 GLY 28 2HA GLY 28 -18.326 -14.830 -11.842 68 HA3 GLY 28 3HA GLY 28 -18.100 -13.219 -12.507 69 H ASP 29 H ASP 29 -16.082 -12.670 -10.329 70 HA ASP 29 HA ASP 29 -13.808 -13.755 -11.780 71 HB2 ASP 29 2HB ASP 29 -13.671 -11.891 -9.417 72 HB3 ASP 29 3HB ASP 29 -12.498 -12.101 -10.714 73 H THR 30 H THR 30 -12.089 -14.881 -10.791 74 HA THR 30 HA THR 30 -12.666 -16.041 -8.152 75 HB THR 30 HB THR 30 -11.523 -18.174 -9.240 76 HG1 THR 30 HG1 THR 30 -13.032 -17.254 -11.449 77 HG21 THR 30 1HG2 THR 30 -14.411 -17.722 -9.908 78 HG22 THR 30 2HG2 THR 30 -13.880 -17.802 -8.228 79 HG23 THR 30 3HG2 THR 30 -13.623 -19.178 -9.301 80 H PHE 31 H PHE 31 -10.790 -16.939 -7.071 81 HA PHE 31 HA PHE 31 -8.600 -15.260 -7.014 82 HB2 PHE 31 2HB PHE 31 -9.152 -17.999 -5.990 83 HB3 PHE 31 3HB PHE 31 -7.475 -17.463 -6.000 84 HD1 PHE 31 HD1 PHE 31 -6.867 -16.953 -3.844 85 HD2 PHE 31 HD2 PHE 31 -10.657 -15.660 -5.284 86 HE1 PHE 31 HE1 PHE 31 -7.244 -15.730 -1.742 87 HE2 PHE 31 HE2 PHE 31 -11.041 -14.434 -3.185 88 HZ PHE 31 HZ PHE 31 -9.333 -14.468 -1.411 89 H TRP 32 H TRP 32 -8.825 -18.456 -8.566 90 HA TRP 32 HA TRP 32 -6.240 -18.517 -9.626 91 HB2 TRP 32 2HB TRP 32 -7.651 -20.502 -9.547 92 HB3 TRP 32 3HB TRP 32 -8.776 -19.777 -10.692 93 HD1 TRP 32 HD1 TRP 32 -4.922 -20.318 -10.814 94 HE1 TRP 32 HE1 TRP 32 -4.355 -21.394 -13.083 95 HE3 TRP 32 HE3 TRP 32 -9.644 -20.691 -12.738 96 HZ2 TRP 32 HZ2 TRP 32 -5.728 -22.283 -15.383 97 HZ3 TRP 32 HZ3 TRP 32 -9.930 -21.665 -14.979 98 HH2 TRP 32 HH2 TRP 32 -8.012 -22.444 -16.273 99 H ALA 33 H ALA 33 -9.281 -17.509 -11.186 100 HA ALA 33 HA ALA 33 -8.287 -16.792 -13.661 101 HB1 ALA 33 1HB ALA 33 -10.615 -16.806 -13.428 102 HB2 ALA 33 2HB ALA 33 -10.574 -15.709 -12.048 103 HB3 ALA 33 3HB ALA 33 -10.207 -15.107 -13.664 104 H ILE 34 H ILE 34 -8.663 -14.693 -10.805 105 HA ILE 34 HA ILE 34 -7.568 -12.381 -11.938 106 HB ILE 34 HB ILE 34 -7.511 -13.232 -9.041 107 HG12 ILE 34 2HG1 ILE 34 -9.465 -11.342 -10.340 108 HG13 ILE 34 3HG1 ILE 34 -9.765 -13.076 -10.274 109 HG21 ILE 34 1HG2 ILE 34 -6.386 -10.967 -10.376 110 HG22 ILE 34 2HG2 ILE 34 -7.679 -10.437 -9.301 111 HG23 ILE 34 3HG2 ILE 34 -6.337 -11.387 -8.664 112 HD11 ILE 34 1HD1 ILE 34 -9.379 -11.245 -7.918 113 HD12 ILE 34 2HD1 ILE 34 -10.900 -11.950 -8.468 114 HD13 ILE 34 3HD1 ILE 34 -9.626 -12.989 -7.829 115 H ALA 35 H ALA 35 -6.047 -15.104 -10.297 116 HA ALA 35 HA ALA 35 -3.475 -14.035 -9.999 117 HB1 ALA 35 1HB ALA 35 -3.234 -16.805 -10.526 118 HB2 ALA 35 2HB ALA 35 -3.212 -15.979 -8.967 119 HB3 ALA 35 3HB ALA 35 -4.737 -16.558 -9.636 120 H GLN 36 H GLN 36 -4.591 -16.314 -12.514 121 HA GLN 36 HA GLN 36 -2.329 -16.188 -14.119 122 HB2 GLN 36 2HB GLN 36 -3.793 -16.989 -15.948 123 HB3 GLN 36 3HB GLN 36 -4.020 -17.887 -14.452 124 HG2 GLN 36 2HG GLN 36 -6.035 -16.601 -13.977 125 HG3 GLN 36 3HG GLN 36 -5.805 -15.686 -15.466 126 HE21 GLN 36 1HE2 GLN 36 -7.098 -18.476 -14.051 127 HE22 GLN 36 2HE2 GLN 36 -7.631 -19.257 -15.497 128 H ARG 37 H ARG 37 -4.926 -13.927 -13.752 129 HA ARG 37 HA ARG 37 -4.345 -12.490 -16.187 130 HB2 ARG 37 2HB ARG 37 -6.280 -12.209 -13.941 131 HB3 ARG 37 3HB ARG 37 -5.898 -10.768 -14.875 132 HG2 ARG 37 2HG ARG 37 -6.858 -13.350 -16.086 133 HG3 ARG 37 3HG ARG 37 -7.912 -12.003 -15.651 134 HD2 ARG 37 2HD ARG 37 -6.426 -10.567 -17.132 135 HD3 ARG 37 3HD ARG 37 -5.739 -12.078 -17.727 136 HE ARG 37 HE ARG 37 -7.652 -12.433 -18.938 137 HH11 ARG 37 1HH1 ARG 37 -8.228 -9.931 -16.587 138 HH12 ARG 37 2HH1 ARG 37 -9.782 -9.508 -17.225 139 HH21 ARG 37 1HH2 ARG 37 -9.696 -11.886 -19.788 140 HH22 ARG 37 2HH2 ARG 37 -10.617 -10.622 -19.046 141 H ARG 38 H ARG 38 -3.461 -12.323 -12.820 142 HA ARG 38 HA ARG 38 -2.130 -9.747 -13.219 143 HB2 ARG 38 2HB ARG 38 -2.480 -11.370 -10.692 144 HB3 ARG 38 3HB ARG 38 -1.810 -9.747 -10.792 145 HG2 ARG 38 2HG ARG 38 -4.538 -10.207 -11.872 146 HG3 ARG 38 3HG ARG 38 -4.320 -10.173 -10.121 147 HD2 ARG 38 2HD ARG 38 -4.885 -7.962 -10.919 148 HD3 ARG 38 3HD ARG 38 -3.225 -7.977 -10.326 149 HE ARG 38 HE ARG 38 -2.492 -7.521 -12.451 150 HH11 ARG 38 1HH1 ARG 38 -5.832 -8.496 -12.563 151 HH12 ARG 38 2HH1 ARG 38 -6.034 -8.076 -14.232 152 HH21 ARG 38 1HH2 ARG 38 -2.745 -6.966 -14.649 153 HH22 ARG 38 2HH2 ARG 38 -4.277 -7.207 -15.417 154 H GLY 39 H GLY 39 -1.211 -12.348 -14.372 155 HA2 GLY 39 2HA GLY 39 0.748 -13.510 -14.671 156 HA3 GLY 39 3HA GLY 39 1.525 -12.010 -14.187 157 H THR 40 H THR 40 -0.539 -14.152 -12.264 158 HA THR 40 HA THR 40 1.730 -15.144 -10.760 159 HB THR 40 HB THR 40 1.160 -12.908 -9.734 160 HG1 THR 40 HG1 THR 40 2.183 -14.609 -8.540 161 HG21 THR 40 1HG2 THR 40 -1.290 -14.339 -8.714 162 HG22 THR 40 2HG2 THR 40 -1.323 -13.195 -10.056 163 HG23 THR 40 3HG2 THR 40 -0.831 -12.657 -8.451 164 H THR 41 H THR 41 0.657 -16.312 -8.664 165 HA THR 41 HA THR 41 -1.549 -17.949 -9.736 166 HB THR 41 HB THR 41 -0.623 -19.790 -8.265 167 HG1 THR 41 HG1 THR 41 0.812 -18.867 -6.925 168 HG21 THR 41 1HG2 THR 41 1.607 -19.561 -10.012 169 HG22 THR 41 2HG2 THR 41 0.199 -18.893 -10.838 170 HG23 THR 41 3HG2 THR 41 0.154 -20.541 -10.211 171 H VAL 42 H VAL 42 -2.703 -19.177 -7.909 172 HA VAL 42 HA VAL 42 -4.026 -17.371 -6.268 173 HB VAL 42 HB VAL 42 -3.732 -20.345 -5.824 174 HG11 VAL 42 1HG1 VAL 42 -6.044 -19.978 -4.768 175 HG12 VAL 42 2HG1 VAL 42 -4.622 -19.498 -3.839 176 HG13 VAL 42 3HG1 VAL 42 -5.580 -18.279 -4.680 177 HG21 VAL 42 1HG2 VAL 42 -5.531 -18.709 -7.570 178 HG22 VAL 42 2HG2 VAL 42 -4.627 -20.172 -7.960 179 HG23 VAL 42 3HG2 VAL 42 -6.065 -20.269 -6.945 180 H ASP 43 H ASP 43 -1.158 -19.291 -5.656 181 HA ASP 43 HA ASP 43 -0.966 -19.161 -2.907 182 HB2 ASP 43 2HB ASP 43 0.599 -20.293 -4.615 183 HB3 ASP 43 3HB ASP 43 1.435 -18.744 -4.675 184 H VAL 44 H VAL 44 0.071 -16.742 -5.288 185 HA VAL 44 HA VAL 44 0.945 -14.901 -3.250 186 HB VAL 44 HB VAL 44 0.499 -14.317 -6.177 187 HG11 VAL 44 1HG1 VAL 44 0.760 -12.313 -4.914 188 HG12 VAL 44 2HG1 VAL 44 2.128 -12.982 -4.023 189 HG13 VAL 44 3HG1 VAL 44 2.287 -12.617 -5.742 190 HG21 VAL 44 1HG2 VAL 44 2.073 -15.885 -6.517 191 HG22 VAL 44 2HG2 VAL 44 3.183 -14.654 -5.917 192 HG23 VAL 44 3HG2 VAL 44 2.572 -15.897 -4.826 193 H ILE 45 H ILE 45 -1.787 -15.133 -5.498 194 HA ILE 45 HA ILE 45 -3.027 -12.711 -4.920 195 HB ILE 45 HB ILE 45 -4.330 -15.340 -5.633 196 HG12 ILE 45 2HG1 ILE 45 -2.662 -14.547 -7.273 197 HG13 ILE 45 3HG1 ILE 45 -4.297 -14.496 -7.923 198 HG21 ILE 45 1HG2 ILE 45 -5.390 -12.571 -5.346 199 HG22 ILE 45 2HG2 ILE 45 -6.058 -13.620 -6.595 200 HG23 ILE 45 3HG2 ILE 45 -6.126 -14.111 -4.903 201 HD11 ILE 45 1HD1 ILE 45 -2.660 -12.179 -6.933 202 HD12 ILE 45 2HD1 ILE 45 -3.155 -12.517 -8.592 203 HD13 ILE 45 3HD1 ILE 45 -4.361 -12.071 -7.385 204 H GLN 46 H GLN 46 -2.839 -15.624 -3.057 205 HA GLN 46 HA GLN 46 -4.918 -14.693 -1.218 206 HB2 GLN 46 2HB GLN 46 -4.770 -17.107 -2.075 207 HB3 GLN 46 3HB GLN 46 -3.389 -17.277 -1.000 208 HG2 GLN 46 2HG GLN 46 -4.991 -16.412 0.825 209 HG3 GLN 46 3HG GLN 46 -6.265 -16.836 -0.318 210 HE21 GLN 46 1HE2 GLN 46 -5.829 -19.107 -1.331 211 HE22 GLN 46 2HE2 GLN 46 -5.496 -20.353 -0.181 212 H SER 47 H SER 47 -1.490 -15.567 -1.297 213 HA SER 47 HA SER 47 -0.878 -15.271 1.393 214 HB2 SER 47 2HB SER 47 0.761 -16.186 -0.107 215 HB3 SER 47 3HB SER 47 0.797 -14.703 -1.061 216 HG SER 47 HG SER 47 2.064 -13.797 0.376 217 H LEU 48 H LEU 48 -1.177 -12.832 -1.132 218 HA LEU 48 HA LEU 48 -0.188 -10.662 0.403 219 HB2 LEU 48 2HB LEU 48 -1.749 -10.950 -2.118 220 HB3 LEU 48 3HB LEU 48 -1.671 -9.368 -1.346 221 HG LEU 48 HG LEU 48 0.821 -10.899 -2.024 222 HD11 LEU 48 1HD1 LEU 48 -0.166 -8.794 -3.863 223 HD12 LEU 48 2HD1 LEU 48 -0.903 -10.392 -3.977 224 HD13 LEU 48 3HD1 LEU 48 0.839 -10.207 -4.188 225 HD21 LEU 48 1HD2 LEU 48 0.110 -8.099 -1.275 226 HD22 LEU 48 2HD2 LEU 48 1.538 -8.400 -2.265 227 HD23 LEU 48 3HD2 LEU 48 1.402 -9.134 -0.666 228 H ASN 49 H ASN 49 -3.232 -12.286 0.266 229 HA ASN 49 HA ASN 49 -4.345 -10.296 2.130 230 HB2 ASN 49 2HB ASN 49 -5.999 -11.894 0.173 231 HB3 ASN 49 3HB ASN 49 -6.521 -10.541 1.172 232 HD21 ASN 49 1HD2 ASN 49 -4.860 -11.514 -1.698 233 HD22 ASN 49 2HD2 ASN 49 -4.710 -9.941 -2.396 234 HA PRO 50 HA PRO 50 -4.201 -14.494 4.110 235 HB2 PRO 50 2HB PRO 50 -3.209 -13.601 6.474 236 HB3 PRO 50 3HB PRO 50 -2.181 -14.037 5.104 237 HG2 PRO 50 2HG PRO 50 -3.088 -11.331 6.006 238 HG3 PRO 50 3HG PRO 50 -1.484 -11.847 5.453 239 HD2 PRO 50 2HD PRO 50 -3.221 -10.523 3.852 240 HD3 PRO 50 3HD PRO 50 -2.073 -11.726 3.228 241 H GLY 51 H GLY 51 -5.339 -11.345 5.213 242 HA2 GLY 51 2HA GLY 51 -6.900 -12.127 7.384 243 HA3 GLY 51 3HA GLY 51 -7.224 -10.730 6.368 244 H VAL 52 H VAL 52 -7.634 -12.216 3.940 245 HA VAL 52 HA VAL 52 -10.337 -13.179 4.501 246 HB VAL 52 HB VAL 52 -10.661 -13.049 2.044 247 HG11 VAL 52 1HG1 VAL 52 -9.896 -10.714 3.712 248 HG12 VAL 52 2HG1 VAL 52 -10.178 -10.446 1.991 249 HG13 VAL 52 3HG1 VAL 52 -11.453 -11.134 2.997 250 HG21 VAL 52 1HG2 VAL 52 -7.983 -11.688 1.924 251 HG22 VAL 52 2HG2 VAL 52 -8.189 -13.402 1.564 252 HG23 VAL 52 3HG2 VAL 52 -9.019 -12.191 0.588 253 H VAL 53 H VAL 53 -11.136 -15.134 3.589 254 HA VAL 53 HA VAL 53 -9.060 -17.087 2.846 255 HB VAL 53 HB VAL 53 -10.537 -18.803 4.049 256 HG11 VAL 53 1HG1 VAL 53 -8.933 -18.782 5.591 257 HG12 VAL 53 2HG1 VAL 53 -8.368 -17.272 4.873 258 HG13 VAL 53 3HG1 VAL 53 -9.485 -17.237 6.238 259 HG21 VAL 53 1HG2 VAL 53 -12.085 -18.126 5.627 260 HG22 VAL 53 2HG2 VAL 53 -11.417 -16.498 5.739 261 HG23 VAL 53 3HG2 VAL 53 -12.361 -16.969 4.325 262 HA PRO 54 HA PRO 54 -11.603 -18.206 -0.553 263 HB2 PRO 54 2HB PRO 54 -11.087 -20.863 -0.763 264 HB3 PRO 54 3HB PRO 54 -9.913 -19.618 -1.205 265 HG2 PRO 54 2HG PRO 54 -10.109 -21.229 1.311 266 HG3 PRO 54 3HG PRO 54 -8.672 -20.809 0.360 267 HD2 PRO 54 2HD PRO 54 -9.357 -19.492 2.625 268 HD3 PRO 54 3HD PRO 54 -8.535 -18.695 1.269 269 H THR 55 H THR 55 -11.975 -19.944 2.458 270 HA THR 55 HA THR 55 -14.346 -21.353 1.728 271 HB THR 55 HB THR 55 -13.675 -20.671 4.571 272 HG1 THR 55 HG1 THR 55 -12.337 -22.555 2.901 273 HG21 THR 55 1HG2 THR 55 -15.232 -22.700 3.116 274 HG22 THR 55 2HG2 THR 55 -15.452 -22.051 4.741 275 HG23 THR 55 3HG2 THR 55 -14.262 -23.320 4.452 276 H ARG 56 H ARG 56 -13.661 -18.189 3.015 277 HA ARG 56 HA ARG 56 -16.550 -17.690 3.297 278 HB2 ARG 56 2HB ARG 56 -14.338 -16.026 4.497 279 HB3 ARG 56 3HB ARG 56 -16.053 -15.979 4.883 280 HG2 ARG 56 2HG ARG 56 -14.151 -18.234 5.483 281 HG3 ARG 56 3HG ARG 56 -14.818 -17.083 6.642 282 HD2 ARG 56 2HD ARG 56 -16.362 -19.106 5.024 283 HD3 ARG 56 3HD ARG 56 -16.024 -19.184 6.753 284 HE ARG 56 HE ARG 56 -18.105 -17.711 5.483 285 HH11 ARG 56 1HH1 ARG 56 -15.917 -17.686 8.191 286 HH12 ARG 56 2HH1 ARG 56 -16.946 -16.704 9.181 287 HH21 ARG 56 1HH2 ARG 56 -19.468 -16.418 6.777 288 HH22 ARG 56 2HH2 ARG 56 -18.966 -15.985 8.376 289 H LEU 57 H LEU 57 -15.337 -17.661 0.763 290 HA LEU 57 HA LEU 57 -14.673 -14.974 0.015 291 HB2 LEU 57 2HB LEU 57 -13.925 -17.147 -1.106 292 HB3 LEU 57 3HB LEU 57 -15.518 -17.163 -1.860 293 HG LEU 57 HG LEU 57 -13.787 -14.749 -2.159 294 HD11 LEU 57 1HD1 LEU 57 -13.533 -17.236 -3.843 295 HD12 LEU 57 2HD1 LEU 57 -12.338 -16.672 -2.674 296 HD13 LEU 57 3HD1 LEU 57 -12.705 -15.699 -4.098 297 HD21 LEU 57 1HD2 LEU 57 -15.036 -15.378 -4.539 298 HD22 LEU 57 2HD2 LEU 57 -15.590 -14.200 -3.349 299 HD23 LEU 57 3HD2 LEU 57 -16.214 -15.850 -3.314 300 H GLN 58 H GLN 58 -15.989 -13.384 -0.614 301 HA GLN 58 HA GLN 58 -18.755 -14.050 -1.353 302 HB2 GLN 58 2HB GLN 58 -18.299 -13.086 1.062 303 HB3 GLN 58 3HB GLN 58 -18.210 -11.557 0.199 304 HG2 GLN 58 2HG GLN 58 -20.538 -13.328 -0.312 305 HG3 GLN 58 3HG GLN 58 -20.467 -12.448 1.214 306 HE21 GLN 58 1HE2 GLN 58 -19.600 -10.065 0.733 307 HE22 GLN 58 2HE2 GLN 58 -20.529 -9.232 -0.462 308 H VAL 59 H VAL 59 -19.449 -13.094 -3.161 309 HA VAL 59 HA VAL 59 -17.737 -11.664 -4.843 310 HB VAL 59 HB VAL 59 -19.676 -11.226 -6.245 311 HG11 VAL 59 1HG1 VAL 59 -20.302 -13.471 -6.706 312 HG12 VAL 59 2HG1 VAL 59 -18.644 -13.517 -6.105 313 HG13 VAL 59 3HG1 VAL 59 -19.980 -13.971 -5.047 314 HG21 VAL 59 1HG2 VAL 59 -21.339 -10.544 -4.715 315 HG22 VAL 59 2HG2 VAL 59 -21.930 -12.048 -5.420 316 HG23 VAL 59 3HG2 VAL 59 -21.228 -12.048 -3.803 317 H GLY 60 H GLY 60 -17.469 -9.517 -5.310 318 HA2 GLY 60 2HA GLY 60 -17.877 -7.215 -5.183 319 HA3 GLY 60 3HA GLY 60 -19.132 -7.526 -3.993 320 H GLN 61 H GLN 61 -15.722 -8.507 -3.995 321 HA GLN 61 HA GLN 61 -15.295 -6.791 -1.647 322 HB2 GLN 61 2HB GLN 61 -15.696 -9.171 -0.978 323 HB3 GLN 61 3HB GLN 61 -14.267 -9.621 -1.900 324 HG2 GLN 61 2HG GLN 61 -12.824 -8.580 -0.420 325 HG3 GLN 61 3HG GLN 61 -14.091 -7.550 0.245 326 HE21 GLN 61 1HE2 GLN 61 -13.905 -11.050 -0.265 327 HE22 GLN 61 2HE2 GLN 61 -14.191 -11.481 1.383 328 H VAL 62 H VAL 62 -13.377 -5.741 -1.574 329 HA VAL 62 HA VAL 62 -11.694 -5.905 -3.937 330 HB VAL 62 HB VAL 62 -12.395 -3.699 -3.064 331 HG11 VAL 62 1HG1 VAL 62 -10.475 -3.574 -0.900 332 HG12 VAL 62 2HG1 VAL 62 -12.175 -3.100 -0.930 333 HG13 VAL 62 3HG1 VAL 62 -11.730 -4.774 -0.595 334 HG21 VAL 62 1HG2 VAL 62 -9.412 -4.024 -2.824 335 HG22 VAL 62 2HG2 VAL 62 -10.267 -4.088 -4.366 336 HG23 VAL 62 3HG2 VAL 62 -10.311 -2.617 -3.394 337 H ILE 63 H ILE 63 -9.480 -6.316 -3.920 338 HA ILE 63 HA ILE 63 -8.288 -7.263 -1.421 339 HB ILE 63 HB ILE 63 -7.373 -9.267 -2.540 340 HG12 ILE 63 2HG1 ILE 63 -9.411 -8.991 -4.708 341 HG13 ILE 63 3HG1 ILE 63 -7.886 -8.128 -4.875 342 HG21 ILE 63 1HG2 ILE 63 -9.535 -9.208 -1.192 343 HG22 ILE 63 2HG2 ILE 63 -10.368 -9.313 -2.742 344 HG23 ILE 63 3HG2 ILE 63 -9.278 -10.605 -2.238 345 HD11 ILE 63 1HD1 ILE 63 -7.949 -10.354 -5.977 346 HD12 ILE 63 2HD1 ILE 63 -6.650 -10.164 -4.798 347 HD13 ILE 63 3HD1 ILE 63 -8.094 -11.085 -4.379 348 H ASN 64 H ASN 64 -5.888 -7.947 -1.961 349 HA ASN 64 HA ASN 64 -4.751 -5.717 -3.501 350 HB2 ASN 64 2HB ASN 64 -3.889 -7.200 -1.065 351 HB3 ASN 64 3HB ASN 64 -2.630 -6.586 -2.132 352 HD21 ASN 64 1HD2 ASN 64 -5.041 -5.812 0.177 353 HD22 ASN 64 2HD2 ASN 64 -4.722 -4.116 0.272 354 H VAL 65 H VAL 65 -3.476 -6.067 -5.225 355 HA VAL 65 HA VAL 65 -2.495 -8.787 -5.733 356 HB VAL 65 HB VAL 65 -3.067 -8.372 -8.198 357 HG11 VAL 65 1HG1 VAL 65 -5.022 -9.585 -7.986 358 HG12 VAL 65 2HG1 VAL 65 -4.234 -9.893 -6.438 359 HG13 VAL 65 3HG1 VAL 65 -5.535 -8.707 -6.546 360 HG21 VAL 65 1HG2 VAL 65 -4.741 -6.833 -8.759 361 HG22 VAL 65 2HG2 VAL 65 -5.187 -6.566 -7.074 362 HG23 VAL 65 3HG2 VAL 65 -3.661 -5.935 -7.693 363 HA PRO 66 HA PRO 66 1.265 -6.863 -6.928 364 HB2 PRO 66 2HB PRO 66 2.150 -8.556 -8.857 365 HB3 PRO 66 3HB PRO 66 2.146 -8.975 -7.139 366 HG2 PRO 66 2HG PRO 66 0.186 -9.720 -9.276 367 HG3 PRO 66 3HG PRO 66 0.872 -10.726 -7.987 368 HD2 PRO 66 2HD PRO 66 -1.606 -9.646 -7.829 369 HD3 PRO 66 3HD PRO 66 -0.585 -9.908 -6.400 370 H CYS 67 H CYS 67 0.785 -4.913 -7.878 371 HA CYS 67 HA CYS 67 -0.486 -4.496 -10.318 372 HB2 CYS 67 2HB CYS 67 0.268 -2.832 -8.421 373 HB3 CYS 67 3HB CYS 67 1.695 -2.647 -9.435 Start of MODEL 18 1 H1 MET 19 H MET 19 1.916 2.311 -1.306 2 HA MET 19 HA MET 19 2.747 1.442 -3.989 3 HB2 MET 19 2HB MET 19 3.680 0.668 -1.232 4 HB3 MET 19 3HB MET 19 4.070 -0.295 -2.651 5 HG2 MET 19 2HG MET 19 5.924 1.020 -2.520 6 HG3 MET 19 3HG MET 19 4.919 1.993 -3.592 7 HE1 MET 19 1HE MET 19 6.000 2.684 0.756 8 HE2 MET 19 2HE MET 19 6.224 1.245 -0.240 9 HE3 MET 19 3HE MET 19 7.275 2.645 -0.462 10 H GLY 20 H GLY 20 2.487 -0.877 -4.485 11 HA2 GLY 20 2HA GLY 20 1.274 -2.836 -4.579 12 HA3 GLY 20 3HA GLY 20 0.644 -2.463 -2.981 13 H CYS 21 H CYS 21 -0.685 -3.502 -5.424 14 HA CYS 21 HA CYS 21 -2.687 -1.366 -5.769 15 HB2 CYS 21 2HB CYS 21 -1.550 -3.367 -7.661 16 HB3 CYS 21 3HB CYS 21 -3.246 -2.934 -7.851 17 H THR 22 H THR 22 -4.918 -2.184 -6.196 18 HA THR 22 HA THR 22 -5.463 -4.695 -4.759 19 HB THR 22 HB THR 22 -7.471 -3.640 -3.755 20 HG1 THR 22 HG1 THR 22 -7.931 -1.570 -4.117 21 HG21 THR 22 1HG2 THR 22 -5.793 -1.817 -2.495 22 HG22 THR 22 2HG2 THR 22 -4.708 -3.077 -3.083 23 HG23 THR 22 3HG2 THR 22 -6.058 -3.496 -2.030 24 H TYR 23 H TYR 23 -7.111 -5.942 -5.547 25 HA TYR 23 HA TYR 23 -8.383 -4.984 -8.027 26 HB2 TYR 23 2HB TYR 23 -6.903 -6.810 -8.524 27 HB3 TYR 23 3HB TYR 23 -7.559 -7.773 -7.206 28 HD1 TYR 23 HD1 TYR 23 -8.072 -6.614 -10.630 29 HD2 TYR 23 HD2 TYR 23 -9.744 -8.849 -7.419 30 HE1 TYR 23 HE1 TYR 23 -9.693 -7.620 -12.182 31 HE2 TYR 23 HE2 TYR 23 -11.369 -9.862 -8.963 32 HH TYR 23 HH TYR 23 -11.069 -9.820 -12.236 33 H THR 24 H THR 24 -10.559 -5.175 -8.271 34 HA THR 24 HA THR 24 -12.072 -5.872 -5.868 35 HB THR 24 HB THR 24 -13.329 -4.699 -8.322 36 HG1 THR 24 HG1 THR 24 -11.647 -3.385 -6.453 37 HG21 THR 24 1HG2 THR 24 -14.479 -3.435 -6.308 38 HG22 THR 24 2HG2 THR 24 -13.892 -4.827 -5.399 39 HG23 THR 24 3HG2 THR 24 -14.978 -5.062 -6.768 40 H ILE 25 H ILE 25 -12.768 -7.899 -5.729 41 HA ILE 25 HA ILE 25 -13.128 -9.548 -8.062 42 HB ILE 25 HB ILE 25 -13.879 -10.224 -5.220 43 HG12 ILE 25 2HG1 ILE 25 -11.234 -10.624 -6.636 44 HG13 ILE 25 3HG1 ILE 25 -11.534 -9.499 -5.315 45 HG21 ILE 25 1HG2 ILE 25 -14.192 -12.347 -5.907 46 HG22 ILE 25 2HG2 ILE 25 -14.463 -11.582 -7.472 47 HG23 ILE 25 3HG2 ILE 25 -12.885 -12.270 -7.089 48 HD11 ILE 25 1HD1 ILE 25 -12.001 -11.357 -3.823 49 HD12 ILE 25 2HD1 ILE 25 -11.742 -12.495 -5.146 50 HD13 ILE 25 3HD1 ILE 25 -10.402 -11.514 -4.552 51 H GLN 26 H GLN 26 -14.854 -9.039 -9.288 52 HA GLN 26 HA GLN 26 -17.426 -8.525 -7.988 53 HB2 GLN 26 2HB GLN 26 -16.346 -8.021 -10.742 54 HB3 GLN 26 3HB GLN 26 -18.082 -8.039 -10.459 55 HG2 GLN 26 2HG GLN 26 -16.428 -6.367 -8.661 56 HG3 GLN 26 3HG GLN 26 -16.630 -5.824 -10.326 57 HE21 GLN 26 1HE2 GLN 26 -18.167 -4.370 -10.472 58 HE22 GLN 26 2HE2 GLN 26 -19.667 -4.376 -9.617 59 HA PRO 27 HA PRO 27 -19.447 -12.307 -8.847 60 HB2 PRO 27 2HB PRO 27 -21.376 -10.829 -10.566 61 HB3 PRO 27 3HB PRO 27 -21.680 -11.882 -9.180 62 HG2 PRO 27 2HG PRO 27 -21.888 -9.234 -8.953 63 HG3 PRO 27 3HG PRO 27 -21.212 -10.215 -7.640 64 HD2 PRO 27 2HD PRO 27 -19.841 -8.471 -9.617 65 HD3 PRO 27 3HD PRO 27 -19.446 -8.761 -7.910 66 H GLY 28 H GLY 28 -17.964 -13.386 -10.146 67 HA2 GLY 28 2HA GLY 28 -18.426 -14.546 -12.410 68 HA3 GLY 28 3HA GLY 28 -18.144 -12.932 -13.048 69 H ASP 29 H ASP 29 -16.105 -12.617 -10.771 70 HA ASP 29 HA ASP 29 -13.879 -13.726 -12.299 71 HB2 ASP 29 2HB ASP 29 -13.576 -11.947 -9.899 72 HB3 ASP 29 3HB ASP 29 -12.513 -12.116 -11.294 73 H THR 30 H THR 30 -12.120 -14.817 -11.241 74 HA THR 30 HA THR 30 -12.801 -16.064 -8.670 75 HB THR 30 HB THR 30 -11.723 -18.204 -9.676 76 HG1 THR 30 HG1 THR 30 -12.189 -18.363 -11.957 77 HG21 THR 30 1HG2 THR 30 -14.474 -17.430 -10.643 78 HG22 THR 30 2HG2 THR 30 -14.113 -17.895 -8.981 79 HG23 THR 30 3HG2 THR 30 -13.875 -19.051 -10.291 80 H PHE 31 H PHE 31 -10.981 -16.938 -7.516 81 HA PHE 31 HA PHE 31 -8.776 -15.284 -7.385 82 HB2 PHE 31 2HB PHE 31 -9.435 -17.980 -6.343 83 HB3 PHE 31 3HB PHE 31 -7.730 -17.540 -6.347 84 HD1 PHE 31 HD1 PHE 31 -7.091 -17.003 -4.209 85 HD2 PHE 31 HD2 PHE 31 -10.830 -15.582 -5.665 86 HE1 PHE 31 HE1 PHE 31 -7.415 -15.732 -2.127 87 HE2 PHE 31 HE2 PHE 31 -11.159 -14.308 -3.586 88 HZ PHE 31 HZ PHE 31 -9.450 -14.381 -1.814 89 H TRP 32 H TRP 32 -8.937 -18.512 -8.884 90 HA TRP 32 HA TRP 32 -6.321 -18.555 -9.871 91 HB2 TRP 32 2HB TRP 32 -7.630 -20.581 -9.785 92 HB3 TRP 32 3HB TRP 32 -8.821 -19.911 -10.896 93 HD1 TRP 32 HD1 TRP 32 -4.976 -20.515 -11.062 94 HE1 TRP 32 HE1 TRP 32 -4.442 -21.516 -13.372 95 HE3 TRP 32 HE3 TRP 32 -9.697 -20.597 -13.023 96 HZ2 TRP 32 HZ2 TRP 32 -5.837 -22.244 -15.716 97 HZ3 TRP 32 HZ3 TRP 32 -10.011 -21.460 -15.305 98 HH2 TRP 32 HH2 TRP 32 -8.120 -22.265 -16.622 99 H ALA 33 H ALA 33 -9.339 -17.703 -11.569 100 HA ALA 33 HA ALA 33 -8.281 -17.022 -14.025 101 HB1 ALA 33 1HB ALA 33 -10.254 -15.447 -14.196 102 HB2 ALA 33 2HB ALA 33 -10.629 -17.128 -13.813 103 HB3 ALA 33 3HB ALA 33 -10.646 -15.908 -12.539 104 H ILE 34 H ILE 34 -8.984 -14.748 -11.363 105 HA ILE 34 HA ILE 34 -7.910 -12.465 -12.479 106 HB ILE 34 HB ILE 34 -7.837 -13.259 -9.565 107 HG12 ILE 34 2HG1 ILE 34 -9.845 -11.433 -10.853 108 HG13 ILE 34 3HG1 ILE 34 -10.078 -13.177 -10.883 109 HG21 ILE 34 1HG2 ILE 34 -6.713 -11.373 -9.231 110 HG22 ILE 34 2HG2 ILE 34 -6.814 -10.958 -10.941 111 HG23 ILE 34 3HG2 ILE 34 -8.108 -10.484 -9.842 112 HD11 ILE 34 1HD1 ILE 34 -9.635 -11.635 -8.346 113 HD12 ILE 34 2HD1 ILE 34 -11.233 -11.935 -9.031 114 HD13 ILE 34 3HD1 ILE 34 -10.219 -13.289 -8.531 115 H ALA 35 H ALA 35 -6.251 -14.895 -10.483 116 HA ALA 35 HA ALA 35 -3.751 -13.731 -10.322 117 HB1 ALA 35 1HB ALA 35 -3.873 -16.665 -10.762 118 HB2 ALA 35 2HB ALA 35 -3.005 -15.737 -9.539 119 HB3 ALA 35 3HB ALA 35 -4.742 -15.996 -9.380 120 H GLN 36 H GLN 36 -4.742 -16.179 -12.727 121 HA GLN 36 HA GLN 36 -2.482 -16.114 -14.309 122 HB2 GLN 36 2HB GLN 36 -5.333 -16.493 -15.240 123 HB3 GLN 36 3HB GLN 36 -3.891 -16.978 -16.122 124 HG2 GLN 36 2HG GLN 36 -4.732 -18.055 -13.440 125 HG3 GLN 36 3HG GLN 36 -4.984 -18.856 -14.990 126 HE21 GLN 36 1HE2 GLN 36 -2.585 -17.775 -12.684 127 HE22 GLN 36 2HE2 GLN 36 -1.319 -18.823 -13.216 128 H ARG 37 H ARG 37 -5.189 -13.894 -14.226 129 HA ARG 37 HA ARG 37 -4.553 -12.524 -16.638 130 HB2 ARG 37 2HB ARG 37 -6.380 -12.081 -14.335 131 HB3 ARG 37 3HB ARG 37 -5.958 -10.676 -15.305 132 HG2 ARG 37 2HG ARG 37 -6.917 -11.590 -17.243 133 HG3 ARG 37 3HG ARG 37 -7.001 -13.205 -16.536 134 HD2 ARG 37 2HD ARG 37 -8.582 -12.202 -14.817 135 HD3 ARG 37 3HD ARG 37 -8.659 -10.788 -15.868 136 HE ARG 37 HE ARG 37 -9.214 -13.203 -17.280 137 HH11 ARG 37 1HH1 ARG 37 -10.594 -10.820 -15.150 138 HH12 ARG 37 2HH1 ARG 37 -12.220 -11.096 -15.681 139 HH21 ARG 37 1HH2 ARG 37 -11.350 -13.576 -17.988 140 HH22 ARG 37 2HH2 ARG 37 -12.649 -12.665 -17.295 141 H ARG 38 H ARG 38 -4.185 -11.537 -13.226 142 HA ARG 38 HA ARG 38 -2.684 -9.235 -13.725 143 HB2 ARG 38 2HB ARG 38 -2.650 -11.034 -11.295 144 HB3 ARG 38 3HB ARG 38 -1.983 -9.408 -11.357 145 HG2 ARG 38 2HG ARG 38 -4.865 -9.960 -11.974 146 HG3 ARG 38 3HG ARG 38 -4.290 -9.699 -10.326 147 HD2 ARG 38 2HD ARG 38 -3.849 -7.773 -12.602 148 HD3 ARG 38 3HD ARG 38 -5.175 -7.652 -11.447 149 HE ARG 38 HE ARG 38 -2.677 -7.794 -10.111 150 HH11 ARG 38 1HH1 ARG 38 -4.716 -5.638 -11.931 151 HH12 ARG 38 2HH1 ARG 38 -4.089 -4.205 -11.185 152 HH21 ARG 38 1HH2 ARG 38 -1.843 -5.916 -9.121 153 HH22 ARG 38 2HH2 ARG 38 -2.454 -4.365 -9.588 154 H GLY 39 H GLY 39 -1.764 -12.583 -13.644 155 HA2 GLY 39 2HA GLY 39 0.237 -13.245 -14.833 156 HA3 GLY 39 3HA GLY 39 1.004 -11.771 -14.259 157 H THR 40 H THR 40 -0.939 -13.599 -12.061 158 HA THR 40 HA THR 40 1.458 -14.827 -10.887 159 HB THR 40 HB THR 40 0.865 -12.680 -9.698 160 HG1 THR 40 HG1 THR 40 1.769 -13.666 -8.067 161 HG21 THR 40 1HG2 THR 40 -1.615 -13.014 -9.910 162 HG22 THR 40 2HG2 THR 40 -1.064 -12.599 -8.287 163 HG23 THR 40 3HG2 THR 40 -1.487 -14.266 -8.675 164 H THR 41 H THR 41 0.533 -16.157 -8.816 165 HA THR 41 HA THR 41 -1.637 -17.833 -9.900 166 HB THR 41 HB THR 41 -0.544 -19.616 -8.345 167 HG1 THR 41 HG1 THR 41 1.239 -18.959 -7.432 168 HG21 THR 41 1HG2 THR 41 0.552 -18.685 -10.988 169 HG22 THR 41 2HG2 THR 41 -0.565 -20.013 -10.667 170 HG23 THR 41 3HG2 THR 41 1.130 -20.152 -10.199 171 H VAL 42 H VAL 42 -2.724 -19.167 -8.118 172 HA VAL 42 HA VAL 42 -4.089 -17.483 -6.384 173 HB VAL 42 HB VAL 42 -3.678 -20.464 -6.100 174 HG11 VAL 42 1HG1 VAL 42 -5.295 -18.497 -4.608 175 HG12 VAL 42 2HG1 VAL 42 -6.108 -19.999 -5.050 176 HG13 VAL 42 3HG1 VAL 42 -4.628 -20.046 -4.092 177 HG21 VAL 42 1HG2 VAL 42 -4.620 -20.012 -8.239 178 HG22 VAL 42 2HG2 VAL 42 -5.937 -20.551 -7.197 179 HG23 VAL 42 3HG2 VAL 42 -5.748 -18.836 -7.564 180 H ASP 43 H ASP 43 -1.154 -19.339 -5.878 181 HA ASP 43 HA ASP 43 -0.933 -19.297 -3.129 182 HB2 ASP 43 2HB ASP 43 1.070 -19.236 -5.351 183 HB3 ASP 43 3HB ASP 43 1.626 -19.031 -3.692 184 H VAL 44 H VAL 44 -0.022 -16.766 -5.439 185 HA VAL 44 HA VAL 44 0.852 -14.974 -3.357 186 HB VAL 44 HB VAL 44 0.308 -14.299 -6.247 187 HG11 VAL 44 1HG1 VAL 44 2.190 -12.628 -5.696 188 HG12 VAL 44 2HG1 VAL 44 0.567 -12.294 -5.092 189 HG13 VAL 44 3HG1 VAL 44 1.791 -12.962 -4.012 190 HG21 VAL 44 1HG2 VAL 44 1.857 -15.986 -6.497 191 HG22 VAL 44 2HG2 VAL 44 2.906 -14.579 -6.320 192 HG23 VAL 44 3HG2 VAL 44 2.631 -15.652 -4.948 193 H ILE 45 H ILE 45 -1.931 -15.205 -5.542 194 HA ILE 45 HA ILE 45 -3.230 -12.849 -4.850 195 HB ILE 45 HB ILE 45 -4.474 -15.498 -5.597 196 HG12 ILE 45 2HG1 ILE 45 -2.874 -14.594 -7.258 197 HG13 ILE 45 3HG1 ILE 45 -4.528 -14.609 -7.862 198 HG21 ILE 45 1HG2 ILE 45 -6.207 -14.224 -4.657 199 HG22 ILE 45 2HG2 ILE 45 -5.614 -12.729 -5.381 200 HG23 ILE 45 3HG2 ILE 45 -6.350 -13.969 -6.396 201 HD11 ILE 45 1HD1 ILE 45 -4.700 -12.207 -7.307 202 HD12 ILE 45 2HD1 ILE 45 -2.997 -12.229 -6.846 203 HD13 ILE 45 3HD1 ILE 45 -3.465 -12.567 -8.513 204 H GLN 46 H GLN 46 -2.903 -15.812 -3.084 205 HA GLN 46 HA GLN 46 -4.941 -14.989 -1.150 206 HB2 GLN 46 2HB GLN 46 -4.947 -17.330 -1.985 207 HB3 GLN 46 3HB GLN 46 -3.355 -17.559 -1.275 208 HG2 GLN 46 2HG GLN 46 -4.904 -18.496 0.231 209 HG3 GLN 46 3HG GLN 46 -4.375 -16.972 0.943 210 HE21 GLN 46 1HE2 GLN 46 -6.920 -18.309 -1.127 211 HE22 GLN 46 2HE2 GLN 46 -8.192 -17.327 -0.494 212 H SER 47 H SER 47 -1.499 -15.780 -1.369 213 HA SER 47 HA SER 47 -0.789 -15.573 1.298 214 HB2 SER 47 2HB SER 47 0.836 -16.346 -0.278 215 HB3 SER 47 3HB SER 47 0.750 -14.845 -1.199 216 HG SER 47 HG SER 47 2.280 -15.447 0.936 217 H LEU 48 H LEU 48 -1.163 -13.012 -1.112 218 HA LEU 48 HA LEU 48 -0.246 -10.896 0.523 219 HB2 LEU 48 2HB LEU 48 -1.797 -11.126 -2.001 220 HB3 LEU 48 3HB LEU 48 -1.839 -9.586 -1.144 221 HG LEU 48 HG LEU 48 0.740 -10.915 -1.940 222 HD11 LEU 48 1HD1 LEU 48 -0.917 -10.391 -3.860 223 HD12 LEU 48 2HD1 LEU 48 0.753 -9.839 -3.986 224 HD13 LEU 48 3HD1 LEU 48 -0.516 -8.708 -3.518 225 HD21 LEU 48 1HD2 LEU 48 0.088 -8.666 -0.375 226 HD22 LEU 48 2HD2 LEU 48 0.736 -8.055 -1.897 227 HD23 LEU 48 3HD2 LEU 48 1.682 -9.182 -0.924 228 H ASN 49 H ASN 49 -3.249 -12.596 0.337 229 HA ASN 49 HA ASN 49 -4.443 -10.669 2.220 230 HB2 ASN 49 2HB ASN 49 -5.881 -12.496 0.282 231 HB3 ASN 49 3HB ASN 49 -6.645 -11.368 1.398 232 HD21 ASN 49 1HD2 ASN 49 -4.976 -11.753 -1.586 233 HD22 ASN 49 2HD2 ASN 49 -5.145 -10.126 -2.140 234 HA PRO 50 HA PRO 50 -3.803 -14.703 4.431 235 HB2 PRO 50 2HB PRO 50 -2.828 -13.572 6.699 236 HB3 PRO 50 3HB PRO 50 -1.807 -13.987 5.316 237 HG2 PRO 50 2HG PRO 50 -2.955 -11.334 6.096 238 HG3 PRO 50 3HG PRO 50 -1.326 -11.720 5.510 239 HD2 PRO 50 2HD PRO 50 -3.242 -10.677 3.906 240 HD3 PRO 50 3HD PRO 50 -2.000 -11.795 3.307 241 H GLY 51 H GLY 51 -5.148 -11.607 5.496 242 HA2 GLY 51 2HA GLY 51 -6.648 -12.630 7.669 243 HA3 GLY 51 3HA GLY 51 -6.931 -11.100 6.853 244 H VAL 52 H VAL 52 -7.328 -12.340 4.240 245 HA VAL 52 HA VAL 52 -10.104 -13.142 4.635 246 HB VAL 52 HB VAL 52 -8.630 -12.549 2.064 247 HG11 VAL 52 1HG1 VAL 52 -10.405 -13.484 1.098 248 HG12 VAL 52 2HG1 VAL 52 -11.257 -13.623 2.637 249 HG13 VAL 52 3HG1 VAL 52 -11.348 -12.125 1.709 250 HG21 VAL 52 1HG2 VAL 52 -10.347 -10.823 3.834 251 HG22 VAL 52 2HG2 VAL 52 -8.680 -10.544 3.333 252 HG23 VAL 52 3HG2 VAL 52 -9.986 -10.424 2.155 253 H VAL 53 H VAL 53 -10.950 -15.092 4.057 254 HA VAL 53 HA VAL 53 -9.067 -17.120 3.042 255 HB VAL 53 HB VAL 53 -10.509 -18.771 4.380 256 HG11 VAL 53 1HG1 VAL 53 -8.279 -17.110 5.145 257 HG12 VAL 53 2HG1 VAL 53 -9.223 -17.593 6.556 258 HG13 VAL 53 3HG1 VAL 53 -8.570 -18.819 5.468 259 HG21 VAL 53 1HG2 VAL 53 -12.329 -17.262 4.929 260 HG22 VAL 53 2HG2 VAL 53 -11.550 -17.835 6.404 261 HG23 VAL 53 3HG2 VAL 53 -11.219 -16.209 5.806 262 HA PRO 54 HA PRO 54 -11.984 -18.096 -0.089 263 HB2 PRO 54 2HB PRO 54 -11.624 -20.774 -0.351 264 HB3 PRO 54 3HB PRO 54 -10.439 -19.586 -0.907 265 HG2 PRO 54 2HG PRO 54 -10.466 -21.199 1.615 266 HG3 PRO 54 3HG PRO 54 -9.110 -20.845 0.528 267 HD2 PRO 54 2HD PRO 54 -9.503 -19.509 2.851 268 HD3 PRO 54 3HD PRO 54 -8.780 -18.745 1.421 269 H THR 55 H THR 55 -12.110 -19.970 2.884 270 HA THR 55 HA THR 55 -14.442 -21.403 2.546 271 HB THR 55 HB THR 55 -13.941 -20.060 5.175 272 HG1 THR 55 HG1 THR 55 -12.255 -21.898 3.844 273 HG21 THR 55 1HG2 THR 55 -14.715 -22.861 4.353 274 HG22 THR 55 2HG2 THR 55 -15.783 -21.630 5.027 275 HG23 THR 55 3HG2 THR 55 -14.496 -22.319 6.016 276 H ARG 56 H ARG 56 -14.030 -17.989 3.165 277 HA ARG 56 HA ARG 56 -16.953 -17.667 3.282 278 HB2 ARG 56 2HB ARG 56 -16.526 -15.482 4.315 279 HB3 ARG 56 3HB ARG 56 -15.790 -16.785 5.239 280 HG2 ARG 56 2HG ARG 56 -13.661 -16.212 3.877 281 HG3 ARG 56 3HG ARG 56 -14.487 -14.683 3.568 282 HD2 ARG 56 2HD ARG 56 -14.055 -15.821 6.323 283 HD3 ARG 56 3HD ARG 56 -12.944 -14.690 5.551 284 HE ARG 56 HE ARG 56 -15.403 -13.485 5.416 285 HH11 ARG 56 1HH1 ARG 56 -13.363 -14.718 7.953 286 HH12 ARG 56 2HH1 ARG 56 -13.928 -13.586 9.137 287 HH21 ARG 56 1HH2 ARG 56 -16.155 -11.989 6.965 288 HH22 ARG 56 2HH2 ARG 56 -15.517 -12.035 8.574 289 H LEU 57 H LEU 57 -15.734 -18.124 0.808 290 HA LEU 57 HA LEU 57 -15.065 -15.776 -0.597 291 HB2 LEU 57 2HB LEU 57 -14.563 -18.063 -1.369 292 HB3 LEU 57 3HB LEU 57 -16.282 -18.320 -1.663 293 HG LEU 57 HG LEU 57 -16.158 -16.422 -3.325 294 HD11 LEU 57 1HD1 LEU 57 -13.893 -15.681 -2.295 295 HD12 LEU 57 2HD1 LEU 57 -14.140 -15.556 -4.036 296 HD13 LEU 57 3HD1 LEU 57 -13.209 -16.898 -3.372 297 HD21 LEU 57 1HD2 LEU 57 -14.634 -17.986 -4.888 298 HD22 LEU 57 2HD2 LEU 57 -16.305 -18.364 -4.469 299 HD23 LEU 57 3HD2 LEU 57 -14.981 -19.117 -3.579 300 H GLN 58 H GLN 58 -16.266 -14.433 -1.927 301 HA GLN 58 HA GLN 58 -19.066 -14.798 -2.357 302 HB2 GLN 58 2HB GLN 58 -19.746 -12.716 -1.119 303 HB3 GLN 58 3HB GLN 58 -19.312 -14.079 -0.097 304 HG2 GLN 58 2HG GLN 58 -17.312 -13.106 0.569 305 HG3 GLN 58 3HG GLN 58 -17.295 -11.984 -0.790 306 HE21 GLN 58 1HE2 GLN 58 -19.144 -10.410 -0.812 307 HE22 GLN 58 2HE2 GLN 58 -19.601 -9.716 0.703 308 H VAL 59 H VAL 59 -19.948 -13.270 -3.802 309 HA VAL 59 HA VAL 59 -17.978 -12.014 -5.492 310 HB VAL 59 HB VAL 59 -19.811 -11.502 -6.986 311 HG11 VAL 59 1HG1 VAL 59 -20.410 -14.246 -5.933 312 HG12 VAL 59 2HG1 VAL 59 -20.386 -13.680 -7.604 313 HG13 VAL 59 3HG1 VAL 59 -18.874 -13.877 -6.716 314 HG21 VAL 59 1HG2 VAL 59 -22.138 -12.341 -6.259 315 HG22 VAL 59 2HG2 VAL 59 -21.504 -12.219 -4.618 316 HG23 VAL 59 3HG2 VAL 59 -21.575 -10.787 -5.645 317 H GLY 60 H GLY 60 -17.627 -9.859 -5.806 318 HA2 GLY 60 2HA GLY 60 -18.004 -7.557 -5.594 319 HA3 GLY 60 3HA GLY 60 -19.342 -7.900 -4.506 320 H GLN 61 H GLN 61 -15.949 -8.934 -4.345 321 HA GLN 61 HA GLN 61 -15.657 -7.360 -1.879 322 HB2 GLN 61 2HB GLN 61 -16.039 -10.008 -1.744 323 HB3 GLN 61 3HB GLN 61 -14.300 -10.000 -2.009 324 HG2 GLN 61 2HG GLN 61 -15.092 -8.091 0.017 325 HG3 GLN 61 3HG GLN 61 -15.609 -9.730 0.409 326 HE21 GLN 61 1HE2 GLN 61 -13.662 -11.297 -0.494 327 HE22 GLN 61 2HE2 GLN 61 -12.156 -10.935 0.270 328 H VAL 62 H VAL 62 -13.782 -6.277 -1.687 329 HA VAL 62 HA VAL 62 -11.944 -6.344 -3.925 330 HB VAL 62 HB VAL 62 -12.699 -4.195 -2.912 331 HG11 VAL 62 1HG1 VAL 62 -12.561 -5.128 -0.545 332 HG12 VAL 62 2HG1 VAL 62 -10.829 -4.801 -0.640 333 HG13 VAL 62 3HG1 VAL 62 -11.988 -3.479 -0.792 334 HG21 VAL 62 1HG2 VAL 62 -10.825 -3.241 -3.667 335 HG22 VAL 62 2HG2 VAL 62 -9.832 -4.014 -2.432 336 HG23 VAL 62 3HG2 VAL 62 -10.230 -4.883 -3.914 337 H ILE 63 H ILE 63 -9.734 -6.771 -3.801 338 HA ILE 63 HA ILE 63 -8.707 -7.906 -1.306 339 HB ILE 63 HB ILE 63 -7.727 -9.827 -2.511 340 HG12 ILE 63 2HG1 ILE 63 -9.614 -9.332 -4.782 341 HG13 ILE 63 3HG1 ILE 63 -8.045 -8.534 -4.781 342 HG21 ILE 63 1HG2 ILE 63 -9.663 -11.169 -2.464 343 HG22 ILE 63 2HG2 ILE 63 -9.954 -9.877 -1.300 344 HG23 ILE 63 3HG2 ILE 63 -10.707 -9.815 -2.894 345 HD11 ILE 63 1HD1 ILE 63 -6.962 -10.413 -5.309 346 HD12 ILE 63 2HD1 ILE 63 -7.939 -11.403 -4.225 347 HD13 ILE 63 3HD1 ILE 63 -8.548 -10.983 -5.825 348 H ASN 64 H ASN 64 -6.296 -8.435 -1.575 349 HA ASN 64 HA ASN 64 -5.047 -6.117 -2.838 350 HB2 ASN 64 2HB ASN 64 -4.675 -7.107 -0.377 351 HB3 ASN 64 3HB ASN 64 -3.444 -8.035 -1.228 352 HD21 ASN 64 1HD2 ASN 64 -4.638 -4.697 -1.414 353 HD22 ASN 64 2HD2 ASN 64 -3.084 -3.955 -1.273 354 H VAL 65 H VAL 65 -3.426 -6.247 -4.358 355 HA VAL 65 HA VAL 65 -2.524 -8.860 -5.274 356 HB VAL 65 HB VAL 65 -3.018 -8.138 -7.683 357 HG11 VAL 65 1HG1 VAL 65 -4.158 -9.964 -6.391 358 HG12 VAL 65 2HG1 VAL 65 -5.423 -8.798 -5.995 359 HG13 VAL 65 3HG1 VAL 65 -5.126 -9.241 -7.676 360 HG21 VAL 65 1HG2 VAL 65 -5.163 -6.490 -6.367 361 HG22 VAL 65 2HG2 VAL 65 -3.654 -5.797 -6.963 362 HG23 VAL 65 3HG2 VAL 65 -4.763 -6.590 -8.082 363 HA PRO 66 HA PRO 66 1.238 -6.744 -6.071 364 HB2 PRO 66 2HB PRO 66 2.222 -8.161 -8.168 365 HB3 PRO 66 3HB PRO 66 2.165 -8.798 -6.520 366 HG2 PRO 66 2HG PRO 66 0.296 -9.289 -8.806 367 HG3 PRO 66 3HG PRO 66 0.955 -10.443 -7.632 368 HD2 PRO 66 2HD PRO 66 -1.546 -9.427 -7.428 369 HD3 PRO 66 3HD PRO 66 -0.572 -9.857 -6.008 370 H CYS 67 H CYS 67 1.653 -4.859 -7.028 371 HA CYS 67 HA CYS 67 0.303 -4.224 -9.548 372 HB2 CYS 67 2HB CYS 67 0.337 -2.772 -7.323 373 HB3 CYS 67 3HB CYS 67 1.843 -2.180 -8.016 Start of MODEL 19 1 H1 MET 19 H MET 19 1.918 -1.616 -0.504 2 HA MET 19 HA MET 19 1.573 0.674 -1.877 3 HB2 MET 19 2HB MET 19 4.010 0.789 -2.188 4 HB3 MET 19 3HB MET 19 3.585 0.214 -0.581 5 HG2 MET 19 2HG MET 19 4.026 -2.084 -1.290 6 HG3 MET 19 3HG MET 19 4.466 -1.499 -2.893 7 HE1 MET 19 1HE MET 19 6.273 -3.372 -1.511 8 HE2 MET 19 2HE MET 19 7.032 -2.542 -2.870 9 HE3 MET 19 3HE MET 19 7.870 -2.648 -1.321 10 H GLY 20 H GLY 20 0.349 -1.470 -3.397 11 HA2 GLY 20 2HA GLY 20 1.630 -0.922 -5.999 12 HA3 GLY 20 3HA GLY 20 1.082 -2.541 -5.588 13 H CYS 21 H CYS 21 -0.676 -3.000 -6.724 14 HA CYS 21 HA CYS 21 -2.719 -0.901 -7.048 15 HB2 CYS 21 2HB CYS 21 -1.807 -3.114 -8.853 16 HB3 CYS 21 3HB CYS 21 -3.452 -2.501 -8.989 17 H THR 22 H THR 22 -4.973 -1.786 -7.298 18 HA THR 22 HA THR 22 -5.389 -4.133 -5.568 19 HB THR 22 HB THR 22 -7.462 -2.972 -4.714 20 HG1 THR 22 HG1 THR 22 -7.626 -1.328 -6.269 21 HG21 THR 22 1HG2 THR 22 -5.059 -3.048 -3.642 22 HG22 THR 22 2HG2 THR 22 -6.332 -2.055 -2.931 23 HG23 THR 22 3HG2 THR 22 -5.101 -1.314 -3.953 24 H TYR 23 H TYR 23 -7.274 -5.358 -5.967 25 HA TYR 23 HA TYR 23 -8.560 -4.815 -8.563 26 HB2 TYR 23 2HB TYR 23 -7.095 -6.681 -8.888 27 HB3 TYR 23 3HB TYR 23 -7.649 -7.452 -7.405 28 HD1 TYR 23 HD1 TYR 23 -9.840 -8.551 -7.318 29 HD2 TYR 23 HD2 TYR 23 -8.370 -6.839 -10.925 30 HE1 TYR 23 HE1 TYR 23 -11.533 -9.799 -8.594 31 HE2 TYR 23 HE2 TYR 23 -10.060 -8.081 -12.210 32 HH TYR 23 HH TYR 23 -12.386 -9.096 -11.695 33 H THR 24 H THR 24 -10.738 -4.992 -8.669 34 HA THR 24 HA THR 24 -12.152 -5.335 -6.144 35 HB THR 24 HB THR 24 -13.388 -4.566 -8.784 36 HG1 THR 24 HG1 THR 24 -12.439 -2.735 -6.831 37 HG21 THR 24 1HG2 THR 24 -14.238 -3.633 -6.070 38 HG22 THR 24 2HG2 THR 24 -14.716 -5.231 -6.644 39 HG23 THR 24 3HG2 THR 24 -15.189 -3.792 -7.546 40 H ILE 25 H ILE 25 -12.779 -7.322 -5.620 41 HA ILE 25 HA ILE 25 -13.228 -9.343 -7.635 42 HB ILE 25 HB ILE 25 -13.706 -9.584 -4.666 43 HG12 ILE 25 2HG1 ILE 25 -11.176 -10.125 -6.236 44 HG13 ILE 25 3HG1 ILE 25 -11.410 -8.817 -5.082 45 HG21 ILE 25 1HG2 ILE 25 -14.222 -11.318 -6.789 46 HG22 ILE 25 2HG2 ILE 25 -12.755 -11.935 -6.030 47 HG23 ILE 25 3HG2 ILE 25 -14.217 -11.709 -5.070 48 HD11 ILE 25 1HD1 ILE 25 -10.142 -10.615 -4.088 49 HD12 ILE 25 2HD1 ILE 25 -11.713 -10.470 -3.299 50 HD13 ILE 25 3HD1 ILE 25 -11.427 -11.762 -4.465 51 H GLN 26 H GLN 26 -15.080 -9.237 -8.740 52 HA GLN 26 HA GLN 26 -17.561 -8.669 -7.262 53 HB2 GLN 26 2HB GLN 26 -16.652 -8.056 -10.026 54 HB3 GLN 26 3HB GLN 26 -18.359 -8.407 -9.796 55 HG2 GLN 26 2HG GLN 26 -18.072 -6.652 -7.835 56 HG3 GLN 26 3HG GLN 26 -16.749 -6.104 -8.862 57 HE21 GLN 26 1HE2 GLN 26 -17.314 -4.501 -10.127 58 HE22 GLN 26 2HE2 GLN 26 -18.858 -4.272 -10.866 59 HA PRO 27 HA PRO 27 -19.470 -12.567 -7.803 60 HB2 PRO 27 2HB PRO 27 -21.443 -11.279 -9.633 61 HB3 PRO 27 3HB PRO 27 -21.720 -12.282 -8.204 62 HG2 PRO 27 2HG PRO 27 -22.024 -9.620 -8.125 63 HG3 PRO 27 3HG PRO 27 -21.386 -10.527 -6.741 64 HD2 PRO 27 2HD PRO 27 -19.991 -8.749 -8.640 65 HD3 PRO 27 3HD PRO 27 -19.622 -9.124 -6.945 66 H GLY 28 H GLY 28 -18.115 -13.835 -8.995 67 HA2 GLY 28 2HA GLY 28 -18.440 -15.132 -11.154 68 HA3 GLY 28 3HA GLY 28 -18.250 -13.568 -11.932 69 H ASP 29 H ASP 29 -16.190 -12.700 -10.027 70 HA ASP 29 HA ASP 29 -13.932 -13.857 -11.391 71 HB2 ASP 29 2HB ASP 29 -13.822 -11.905 -9.095 72 HB3 ASP 29 3HB ASP 29 -12.629 -12.154 -10.367 73 H THR 30 H THR 30 -12.180 -14.936 -10.427 74 HA THR 30 HA THR 30 -12.646 -16.007 -7.730 75 HB THR 30 HB THR 30 -11.678 -18.211 -8.613 76 HG1 THR 30 HG1 THR 30 -12.753 -17.436 -11.098 77 HG21 THR 30 1HG2 THR 30 -14.430 -17.284 -9.441 78 HG22 THR 30 2HG2 THR 30 -13.981 -18.060 -7.922 79 HG23 THR 30 3HG2 THR 30 -13.907 -18.968 -9.433 80 H PHE 31 H PHE 31 -10.706 -16.913 -6.727 81 HA PHE 31 HA PHE 31 -8.537 -15.204 -6.777 82 HB2 PHE 31 2HB PHE 31 -9.081 -17.881 -5.652 83 HB3 PHE 31 3HB PHE 31 -7.378 -17.478 -5.851 84 HD1 PHE 31 HD1 PHE 31 -6.567 -17.054 -3.731 85 HD2 PHE 31 HD2 PHE 31 -10.269 -15.326 -4.926 86 HE1 PHE 31 HE1 PHE 31 -6.630 -15.755 -1.643 87 HE2 PHE 31 HE2 PHE 31 -10.338 -14.024 -2.839 88 HZ PHE 31 HZ PHE 31 -8.517 -14.236 -1.195 89 H TRP 32 H TRP 32 -8.543 -18.534 -8.063 90 HA TRP 32 HA TRP 32 -6.087 -18.465 -9.322 91 HB2 TRP 32 2HB TRP 32 -7.274 -20.544 -9.107 92 HB3 TRP 32 3HB TRP 32 -8.609 -19.944 -10.088 93 HD1 TRP 32 HD1 TRP 32 -5.105 -21.407 -10.370 94 HE1 TRP 32 HE1 TRP 32 -4.651 -22.015 -12.830 95 HE3 TRP 32 HE3 TRP 32 -9.226 -19.269 -12.509 96 HZ2 TRP 32 HZ2 TRP 32 -5.877 -21.637 -15.344 97 HZ3 TRP 32 HZ3 TRP 32 -9.511 -19.436 -14.947 98 HH2 TRP 32 HH2 TRP 32 -7.869 -20.596 -16.334 99 H ALA 33 H ALA 33 -9.259 -17.617 -10.689 100 HA ALA 33 HA ALA 33 -8.513 -17.035 -13.280 101 HB1 ALA 33 1HB ALA 33 -10.433 -15.380 -13.226 102 HB2 ALA 33 2HB ALA 33 -10.814 -17.041 -12.770 103 HB3 ALA 33 3HB ALA 33 -10.622 -15.807 -11.525 104 H ILE 34 H ILE 34 -8.587 -14.795 -10.509 105 HA ILE 34 HA ILE 34 -7.587 -12.563 -11.903 106 HB ILE 34 HB ILE 34 -7.364 -13.189 -8.956 107 HG12 ILE 34 2HG1 ILE 34 -9.374 -11.375 -10.272 108 HG13 ILE 34 3HG1 ILE 34 -9.685 -13.096 -10.074 109 HG21 ILE 34 1HG2 ILE 34 -7.210 -10.690 -8.758 110 HG22 ILE 34 2HG2 ILE 34 -5.804 -11.475 -9.475 111 HG23 ILE 34 3HG2 ILE 34 -6.967 -10.639 -10.504 112 HD11 ILE 34 1HD1 ILE 34 -9.548 -12.901 -7.691 113 HD12 ILE 34 2HD1 ILE 34 -9.044 -11.215 -7.818 114 HD13 ILE 34 3HD1 ILE 34 -10.673 -11.687 -8.302 115 H ALA 35 H ALA 35 -5.983 -15.144 -10.107 116 HA ALA 35 HA ALA 35 -3.397 -14.101 -10.040 117 HB1 ALA 35 1HB ALA 35 -4.581 -16.416 -9.198 118 HB2 ALA 35 2HB ALA 35 -3.510 -16.988 -10.477 119 HB3 ALA 35 3HB ALA 35 -2.853 -16.068 -9.123 120 H GLN 36 H GLN 36 -4.972 -16.105 -12.513 121 HA GLN 36 HA GLN 36 -2.813 -16.486 -14.209 122 HB2 GLN 36 2HB GLN 36 -5.753 -16.188 -14.815 123 HB3 GLN 36 3HB GLN 36 -4.566 -16.637 -16.033 124 HG2 GLN 36 2HG GLN 36 -5.340 -18.170 -13.568 125 HG3 GLN 36 3HG GLN 36 -5.592 -18.627 -15.252 126 HE21 GLN 36 1HE2 GLN 36 -3.659 -19.025 -12.586 127 HE22 GLN 36 2HE2 GLN 36 -2.267 -19.700 -13.355 128 H ARG 37 H ARG 37 -5.286 -13.925 -14.430 129 HA ARG 37 HA ARG 37 -4.041 -12.513 -16.518 130 HB2 ARG 37 2HB ARG 37 -6.178 -11.937 -14.536 131 HB3 ARG 37 3HB ARG 37 -5.434 -10.558 -15.334 132 HG2 ARG 37 2HG ARG 37 -5.947 -11.679 -17.522 133 HG3 ARG 37 3HG ARG 37 -6.898 -12.852 -16.609 134 HD2 ARG 37 2HD ARG 37 -8.409 -11.187 -15.868 135 HD3 ARG 37 3HD ARG 37 -7.352 -9.885 -16.414 136 HE ARG 37 HE ARG 37 -8.002 -11.387 -18.652 137 HH11 ARG 37 1HH1 ARG 37 -9.647 -9.442 -16.279 138 HH12 ARG 37 2HH1 ARG 37 -10.913 -8.961 -17.361 139 HH21 ARG 37 1HH2 ARG 37 -9.662 -10.761 -20.085 140 HH22 ARG 37 2HH2 ARG 37 -10.920 -9.712 -19.525 141 H ARG 38 H ARG 38 -4.087 -11.827 -13.018 142 HA ARG 38 HA ARG 38 -2.425 -9.623 -12.997 143 HB2 ARG 38 2HB ARG 38 -2.759 -11.828 -10.963 144 HB3 ARG 38 3HB ARG 38 -1.811 -10.379 -10.658 145 HG2 ARG 38 2HG ARG 38 -4.705 -10.297 -11.459 146 HG3 ARG 38 3HG ARG 38 -4.167 -10.366 -9.780 147 HD2 ARG 38 2HD ARG 38 -4.358 -8.103 -10.048 148 HD3 ARG 38 3HD ARG 38 -2.676 -8.331 -10.523 149 HE ARG 38 HE ARG 38 -3.235 -7.622 -12.615 150 HH11 ARG 38 1HH1 ARG 38 -6.124 -8.711 -11.005 151 HH12 ARG 38 2HH1 ARG 38 -7.180 -8.221 -12.288 152 HH21 ARG 38 1HH2 ARG 38 -4.616 -6.974 -14.311 153 HH22 ARG 38 2HH2 ARG 38 -6.321 -7.234 -14.168 154 H GLY 39 H GLY 39 -1.611 -12.995 -13.373 155 HA2 GLY 39 2HA GLY 39 0.385 -13.717 -14.426 156 HA3 GLY 39 3HA GLY 39 1.152 -12.209 -13.949 157 H THR 40 H THR 40 -0.679 -13.827 -11.541 158 HA THR 40 HA THR 40 1.776 -14.983 -10.396 159 HB THR 40 HB THR 40 1.118 -12.812 -9.290 160 HG1 THR 40 HG1 THR 40 2.217 -14.747 -8.269 161 HG21 THR 40 1HG2 THR 40 -0.936 -14.018 -7.642 162 HG22 THR 40 2HG2 THR 40 -1.427 -13.940 -9.334 163 HG23 THR 40 3HG2 THR 40 -0.939 -12.472 -8.489 164 H THR 41 H THR 41 0.948 -16.264 -8.261 165 HA THR 41 HA THR 41 -1.093 -18.129 -9.273 166 HB THR 41 HB THR 41 -0.068 -19.834 -7.831 167 HG1 THR 41 HG1 THR 41 1.477 -19.335 -6.439 168 HG21 THR 41 1HG2 THR 41 0.723 -19.417 -10.190 169 HG22 THR 41 2HG2 THR 41 1.883 -20.230 -9.139 170 HG23 THR 41 3HG2 THR 41 2.069 -18.514 -9.498 171 H VAL 42 H VAL 42 -2.269 -19.335 -7.488 172 HA VAL 42 HA VAL 42 -3.824 -17.590 -5.997 173 HB VAL 42 HB VAL 42 -3.310 -20.515 -5.439 174 HG11 VAL 42 1HG1 VAL 42 -5.575 -18.727 -4.559 175 HG12 VAL 42 2HG1 VAL 42 -5.478 -20.469 -4.297 176 HG13 VAL 42 3HG1 VAL 42 -4.313 -19.394 -3.524 177 HG21 VAL 42 1HG2 VAL 42 -4.303 -20.788 -7.425 178 HG22 VAL 42 2HG2 VAL 42 -5.785 -20.293 -6.606 179 HG23 VAL 42 3HG2 VAL 42 -4.829 -19.106 -7.493 180 H ASP 43 H ASP 43 -0.887 -19.305 -5.103 181 HA ASP 43 HA ASP 43 -0.884 -18.991 -2.362 182 HB2 ASP 43 2HB ASP 43 1.253 -19.166 -4.433 183 HB3 ASP 43 3HB ASP 43 1.722 -18.677 -2.807 184 H VAL 44 H VAL 44 0.128 -16.671 -4.840 185 HA VAL 44 HA VAL 44 0.855 -14.668 -2.903 186 HB VAL 44 HB VAL 44 0.421 -14.286 -5.866 187 HG11 VAL 44 1HG1 VAL 44 0.731 -12.153 -5.248 188 HG12 VAL 44 2HG1 VAL 44 1.386 -12.602 -3.672 189 HG13 VAL 44 3HG1 VAL 44 2.427 -12.612 -5.096 190 HG21 VAL 44 1HG2 VAL 44 3.049 -14.464 -5.741 191 HG22 VAL 44 2HG2 VAL 44 2.685 -15.479 -4.346 192 HG23 VAL 44 3HG2 VAL 44 2.044 -15.900 -5.934 193 H ILE 45 H ILE 45 -1.829 -15.182 -5.163 194 HA ILE 45 HA ILE 45 -3.214 -12.813 -4.771 195 HB ILE 45 HB ILE 45 -4.360 -15.567 -5.250 196 HG12 ILE 45 2HG1 ILE 45 -2.737 -14.789 -6.956 197 HG13 ILE 45 3HG1 ILE 45 -4.369 -14.939 -7.599 198 HG21 ILE 45 1HG2 ILE 45 -6.232 -14.136 -6.298 199 HG22 ILE 45 2HG2 ILE 45 -6.186 -14.315 -4.545 200 HG23 ILE 45 3HG2 ILE 45 -5.588 -12.836 -5.296 201 HD11 ILE 45 1HD1 ILE 45 -3.285 -12.934 -8.419 202 HD12 ILE 45 2HD1 ILE 45 -4.663 -12.524 -7.398 203 HD13 ILE 45 3HD1 ILE 45 -3.023 -12.380 -6.766 204 H GLN 46 H GLN 46 -2.963 -15.617 -2.715 205 HA GLN 46 HA GLN 46 -5.050 -14.613 -0.934 206 HB2 GLN 46 2HB GLN 46 -4.944 -17.039 -1.527 207 HB3 GLN 46 3HB GLN 46 -3.402 -17.134 -0.687 208 HG2 GLN 46 2HG GLN 46 -4.823 -16.110 1.290 209 HG3 GLN 46 3HG GLN 46 -6.146 -16.864 0.402 210 HE21 GLN 46 1HE2 GLN 46 -5.374 -19.168 -0.432 211 HE22 GLN 46 2HE2 GLN 46 -4.755 -20.181 0.823 212 H SER 47 H SER 47 -1.586 -15.334 -0.949 213 HA SER 47 HA SER 47 -0.990 -14.806 1.706 214 HB2 SER 47 2HB SER 47 0.703 -15.743 0.294 215 HB3 SER 47 3HB SER 47 0.647 -14.357 -0.796 216 HG SER 47 HG SER 47 1.869 -14.628 1.688 217 H LEU 48 H LEU 48 -1.538 -12.591 -0.956 218 HA LEU 48 HA LEU 48 -0.668 -10.266 0.489 219 HB2 LEU 48 2HB LEU 48 -2.010 -10.764 -2.132 220 HB3 LEU 48 3HB LEU 48 -1.987 -9.135 -1.460 221 HG LEU 48 HG LEU 48 0.501 -10.755 -1.975 222 HD11 LEU 48 1HD1 LEU 48 -1.219 -9.292 -3.818 223 HD12 LEU 48 2HD1 LEU 48 0.081 -10.438 -4.144 224 HD13 LEU 48 3HD1 LEU 48 0.457 -8.743 -3.835 225 HD21 LEU 48 1HD2 LEU 48 0.391 -8.759 -0.321 226 HD22 LEU 48 2HD2 LEU 48 0.304 -7.777 -1.783 227 HD23 LEU 48 3HD2 LEU 48 1.693 -8.829 -1.508 228 H ASN 49 H ASN 49 -3.590 -12.069 0.214 229 HA ASN 49 HA ASN 49 -4.941 -10.087 1.909 230 HB2 ASN 49 2HB ASN 49 -6.378 -11.615 -0.262 231 HB3 ASN 49 3HB ASN 49 -6.990 -10.275 0.703 232 HD21 ASN 49 1HD2 ASN 49 -5.051 -11.214 -1.995 233 HD22 ASN 49 2HD2 ASN 49 -4.799 -9.630 -2.636 234 HA PRO 50 HA PRO 50 -5.029 -14.347 3.756 235 HB2 PRO 50 2HB PRO 50 -4.308 -13.535 6.244 236 HB3 PRO 50 3HB PRO 50 -3.132 -13.932 4.986 237 HG2 PRO 50 2HG PRO 50 -4.131 -11.251 5.866 238 HG3 PRO 50 3HG PRO 50 -2.476 -11.757 5.481 239 HD2 PRO 50 2HD PRO 50 -4.019 -10.375 3.738 240 HD3 PRO 50 3HD PRO 50 -2.810 -11.563 3.209 241 H GLY 51 H GLY 51 -6.519 -11.302 4.368 242 HA2 GLY 51 2HA GLY 51 -8.204 -11.976 6.520 243 HA3 GLY 51 3HA GLY 51 -8.511 -10.710 5.341 244 H VAL 52 H VAL 52 -8.651 -12.298 3.023 245 HA VAL 52 HA VAL 52 -11.257 -13.555 3.468 246 HB VAL 52 HB VAL 52 -11.213 -11.867 1.732 247 HG11 VAL 52 1HG1 VAL 52 -9.874 -12.460 -0.392 248 HG12 VAL 52 2HG1 VAL 52 -9.016 -11.749 0.976 249 HG13 VAL 52 3HG1 VAL 52 -8.921 -13.486 0.681 250 HG21 VAL 52 1HG2 VAL 52 -12.225 -13.103 -0.045 251 HG22 VAL 52 2HG2 VAL 52 -11.373 -14.576 0.418 252 HG23 VAL 52 3HG2 VAL 52 -12.627 -13.915 1.468 253 H VAL 53 H VAL 53 -11.732 -15.644 2.844 254 HA VAL 53 HA VAL 53 -9.425 -17.323 2.101 255 HB VAL 53 HB VAL 53 -10.707 -19.179 3.320 256 HG11 VAL 53 1HG1 VAL 53 -8.907 -18.819 4.587 257 HG12 VAL 53 2HG1 VAL 53 -8.981 -17.073 4.338 258 HG13 VAL 53 3HG1 VAL 53 -9.952 -17.827 5.604 259 HG21 VAL 53 1HG2 VAL 53 -12.544 -18.728 4.513 260 HG22 VAL 53 2HG2 VAL 53 -11.860 -17.241 5.171 261 HG23 VAL 53 3HG2 VAL 53 -12.627 -17.232 3.583 262 HA PRO 54 HA PRO 54 -11.718 -18.844 -1.320 263 HB2 PRO 54 2HB PRO 54 -10.868 -21.419 -1.439 264 HB3 PRO 54 3HB PRO 54 -9.848 -20.049 -1.892 265 HG2 PRO 54 2HG PRO 54 -9.906 -21.603 0.666 266 HG3 PRO 54 3HG PRO 54 -8.509 -21.031 -0.264 267 HD2 PRO 54 2HD PRO 54 -9.412 -19.751 1.945 268 HD3 PRO 54 3HD PRO 54 -8.661 -18.893 0.584 269 H THR 55 H THR 55 -11.887 -20.658 1.687 270 HA THR 55 HA THR 55 -13.938 -22.440 1.059 271 HB THR 55 HB THR 55 -13.670 -21.152 3.770 272 HG1 THR 55 HG1 THR 55 -11.970 -22.570 4.173 273 HG21 THR 55 1HG2 THR 55 -15.510 -22.821 3.230 274 HG22 THR 55 2HG2 THR 55 -14.480 -23.212 4.608 275 HG23 THR 55 3HG2 THR 55 -14.232 -24.024 3.062 276 H ARG 56 H ARG 56 -14.041 -19.044 1.886 277 HA ARG 56 HA ARG 56 -16.868 -18.986 1.173 278 HB2 ARG 56 2HB ARG 56 -17.329 -17.483 3.150 279 HB3 ARG 56 3HB ARG 56 -17.059 -19.178 3.534 280 HG2 ARG 56 2HG ARG 56 -14.551 -17.873 3.633 281 HG3 ARG 56 3HG ARG 56 -15.709 -16.888 4.529 282 HD2 ARG 56 2HD ARG 56 -15.532 -19.853 4.942 283 HD3 ARG 56 3HD ARG 56 -14.449 -18.746 5.785 284 HE ARG 56 HE ARG 56 -17.060 -17.840 6.157 285 HH11 ARG 56 1HH1 ARG 56 -15.079 -20.573 7.007 286 HH12 ARG 56 2HH1 ARG 56 -15.930 -20.899 8.480 287 HH21 ARG 56 1HH2 ARG 56 -18.189 -18.258 8.094 288 HH22 ARG 56 2HH2 ARG 56 -17.700 -19.581 9.097 289 H LEU 57 H LEU 57 -15.990 -17.974 -0.723 290 HA LEU 57 HA LEU 57 -14.596 -15.466 -0.481 291 HB2 LEU 57 2HB LEU 57 -14.615 -17.322 -2.395 292 HB3 LEU 57 3HB LEU 57 -15.873 -16.266 -3.035 293 HG LEU 57 HG LEU 57 -13.797 -15.691 -4.071 294 HD11 LEU 57 1HD1 LEU 57 -13.972 -13.442 -3.851 295 HD12 LEU 57 2HD1 LEU 57 -13.951 -13.499 -2.089 296 HD13 LEU 57 3HD1 LEU 57 -15.428 -13.899 -2.966 297 HD21 LEU 57 1HD2 LEU 57 -12.197 -14.649 -2.030 298 HD22 LEU 57 2HD2 LEU 57 -11.892 -16.089 -3.001 299 HD23 LEU 57 3HD2 LEU 57 -12.729 -16.229 -1.454 300 H GLN 58 H GLN 58 -15.480 -13.520 -0.281 301 HA GLN 58 HA GLN 58 -18.376 -13.258 -0.483 302 HB2 GLN 58 2HB GLN 58 -17.291 -12.389 1.524 303 HB3 GLN 58 3HB GLN 58 -16.276 -11.340 0.542 304 HG2 GLN 58 2HG GLN 58 -18.082 -10.085 1.543 305 HG3 GLN 58 3HG GLN 58 -18.257 -10.127 -0.211 306 HE21 GLN 58 1HE2 GLN 58 -20.466 -9.615 0.048 307 HE22 GLN 58 2HE2 GLN 58 -21.611 -10.821 0.516 308 H VAL 59 H VAL 59 -19.321 -12.487 -2.242 309 HA VAL 59 HA VAL 59 -17.791 -11.405 -4.411 310 HB VAL 59 HB VAL 59 -19.902 -11.239 -5.604 311 HG11 VAL 59 1HG1 VAL 59 -18.684 -13.503 -4.986 312 HG12 VAL 59 2HG1 VAL 59 -20.212 -13.819 -4.161 313 HG13 VAL 59 3HG1 VAL 59 -20.197 -13.484 -5.893 314 HG21 VAL 59 1HG2 VAL 59 -21.988 -12.055 -4.393 315 HG22 VAL 59 2HG2 VAL 59 -21.099 -11.768 -2.897 316 HG23 VAL 59 3HG2 VAL 59 -21.424 -10.431 -4.000 317 H GLY 60 H GLY 60 -17.520 -9.330 -5.014 318 HA2 GLY 60 2HA GLY 60 -17.995 -7.040 -5.153 319 HA3 GLY 60 3HA GLY 60 -19.225 -7.243 -3.914 320 H GLN 61 H GLN 61 -15.808 -8.177 -3.819 321 HA GLN 61 HA GLN 61 -15.375 -6.156 -1.728 322 HB2 GLN 61 2HB GLN 61 -15.768 -8.469 -0.784 323 HB3 GLN 61 3HB GLN 61 -14.284 -8.966 -1.584 324 HG2 GLN 61 2HG GLN 61 -13.137 -7.107 -0.301 325 HG3 GLN 61 3HG GLN 61 -14.617 -6.994 0.651 326 HE21 GLN 61 1HE2 GLN 61 -11.744 -8.766 0.040 327 HE22 GLN 61 2HE2 GLN 61 -11.940 -9.945 1.287 328 H VAL 62 H VAL 62 -13.468 -5.093 -1.820 329 HA VAL 62 HA VAL 62 -11.806 -5.552 -4.152 330 HB VAL 62 HB VAL 62 -12.496 -3.255 -3.490 331 HG11 VAL 62 1HG1 VAL 62 -10.439 -3.250 -1.342 332 HG12 VAL 62 2HG1 VAL 62 -11.875 -2.242 -1.536 333 HG13 VAL 62 3HG1 VAL 62 -12.034 -3.907 -0.974 334 HG21 VAL 62 1HG2 VAL 62 -9.506 -3.545 -3.352 335 HG22 VAL 62 2HG2 VAL 62 -10.421 -3.819 -4.835 336 HG23 VAL 62 3HG2 VAL 62 -10.446 -2.233 -4.064 337 H ILE 63 H ILE 63 -9.565 -5.907 -4.102 338 HA ILE 63 HA ILE 63 -8.376 -6.633 -1.528 339 HB ILE 63 HB ILE 63 -7.434 -8.711 -2.477 340 HG12 ILE 63 2HG1 ILE 63 -9.460 -8.653 -4.668 341 HG13 ILE 63 3HG1 ILE 63 -7.961 -7.761 -4.900 342 HG21 ILE 63 1HG2 ILE 63 -9.339 -10.045 -2.103 343 HG22 ILE 63 2HG2 ILE 63 -9.586 -8.589 -1.141 344 HG23 ILE 63 3HG2 ILE 63 -10.431 -8.784 -2.676 345 HD11 ILE 63 1HD1 ILE 63 -8.030 -10.660 -4.127 346 HD12 ILE 63 2HD1 ILE 63 -8.002 -10.102 -5.800 347 HD13 ILE 63 3HD1 ILE 63 -6.661 -9.721 -4.722 348 H ASN 64 H ASN 64 -5.966 -7.444 -2.122 349 HA ASN 64 HA ASN 64 -4.837 -5.266 -3.743 350 HB2 ASN 64 2HB ASN 64 -4.031 -6.576 -1.225 351 HB3 ASN 64 3HB ASN 64 -2.714 -6.254 -2.349 352 HD21 ASN 64 1HD2 ASN 64 -4.787 -4.967 -0.018 353 HD22 ASN 64 2HD2 ASN 64 -4.342 -3.306 -0.183 354 H VAL 65 H VAL 65 -3.276 -5.670 -5.290 355 HA VAL 65 HA VAL 65 -2.457 -8.424 -5.787 356 HB VAL 65 HB VAL 65 -3.019 -8.081 -8.264 357 HG11 VAL 65 1HG1 VAL 65 -5.490 -8.331 -6.600 358 HG12 VAL 65 2HG1 VAL 65 -4.995 -9.256 -8.019 359 HG13 VAL 65 3HG1 VAL 65 -4.207 -9.532 -6.465 360 HG21 VAL 65 1HG2 VAL 65 -5.290 -6.386 -7.451 361 HG22 VAL 65 2HG2 VAL 65 -3.719 -5.586 -7.521 362 HG23 VAL 65 3HG2 VAL 65 -4.360 -6.397 -8.950 363 HA PRO 66 HA PRO 66 1.330 -6.586 -7.034 364 HB2 PRO 66 2HB PRO 66 2.197 -8.351 -8.906 365 HB3 PRO 66 3HB PRO 66 2.184 -8.715 -7.177 366 HG2 PRO 66 2HG PRO 66 0.219 -9.503 -9.293 367 HG3 PRO 66 3HG PRO 66 0.890 -10.476 -7.971 368 HD2 PRO 66 2HD PRO 66 -1.574 -9.360 -7.853 369 HD3 PRO 66 3HD PRO 66 -0.560 -9.589 -6.414 370 H CYS 67 H CYS 67 1.077 -4.680 -8.081 371 HA CYS 67 HA CYS 67 -0.166 -4.446 -10.642 372 HB2 CYS 67 2HB CYS 67 0.151 -2.685 -8.696 373 HB3 CYS 67 3HB CYS 67 1.635 -2.317 -9.568 Start of MODEL 20 1 H1 MET 19 H MET 19 1.183 -1.944 -0.683 2 HA MET 19 HA MET 19 2.264 0.221 -2.365 3 HB2 MET 19 2HB MET 19 3.746 -0.649 -0.464 4 HB3 MET 19 3HB MET 19 3.877 -2.132 -1.400 5 HG2 MET 19 2HG MET 19 5.761 -0.980 -2.038 6 HG3 MET 19 3HG MET 19 4.622 -0.571 -3.319 7 HE1 MET 19 1HE MET 19 6.826 0.581 -0.465 8 HE2 MET 19 2HE MET 19 7.441 1.012 -2.060 9 HE3 MET 19 3HE MET 19 7.005 2.278 -0.912 10 H GLY 20 H GLY 20 1.459 -0.145 -4.345 11 HA2 GLY 20 2HA GLY 20 2.194 -1.651 -6.286 12 HA3 GLY 20 3HA GLY 20 1.422 -2.918 -5.344 13 H CYS 21 H CYS 21 -0.340 -3.470 -6.464 14 HA CYS 21 HA CYS 21 -2.173 -1.308 -7.273 15 HB2 CYS 21 2HB CYS 21 -1.283 -3.764 -8.703 16 HB3 CYS 21 3HB CYS 21 -2.957 -3.261 -8.915 17 H THR 22 H THR 22 -4.478 -2.042 -7.434 18 HA THR 22 HA THR 22 -5.093 -3.991 -5.308 19 HB THR 22 HB THR 22 -6.978 -2.677 -4.619 20 HG1 THR 22 HG1 THR 22 -7.711 -1.776 -6.510 21 HG21 THR 22 1HG2 THR 22 -5.902 -0.770 -3.690 22 HG22 THR 22 2HG2 THR 22 -4.718 -0.719 -4.996 23 HG23 THR 22 3HG2 THR 22 -4.674 -2.028 -3.815 24 H TYR 23 H TYR 23 -7.041 -5.192 -5.536 25 HA TYR 23 HA TYR 23 -8.157 -5.219 -8.260 26 HB2 TYR 23 2HB TYR 23 -6.663 -7.102 -8.116 27 HB3 TYR 23 3HB TYR 23 -7.346 -7.590 -6.570 28 HD1 TYR 23 HD1 TYR 23 -9.377 -8.856 -6.457 29 HD2 TYR 23 HD2 TYR 23 -7.952 -7.418 -10.199 30 HE1 TYR 23 HE1 TYR 23 -10.982 -10.311 -7.620 31 HE2 TYR 23 HE2 TYR 23 -9.554 -8.869 -11.373 32 HH TYR 23 HH TYR 23 -11.412 -10.154 -11.107 33 H THR 24 H THR 24 -10.332 -5.797 -8.453 34 HA THR 24 HA THR 24 -11.851 -5.602 -5.941 35 HB THR 24 HB THR 24 -12.911 -5.119 -8.728 36 HG1 THR 24 HG1 THR 24 -11.908 -3.249 -6.821 37 HG21 THR 24 1HG2 THR 24 -14.414 -5.637 -6.661 38 HG22 THR 24 2HG2 THR 24 -14.829 -4.291 -7.724 39 HG23 THR 24 3HG2 THR 24 -14.017 -3.985 -6.189 40 H ILE 25 H ILE 25 -12.566 -7.487 -5.207 41 HA ILE 25 HA ILE 25 -12.871 -9.775 -6.923 42 HB ILE 25 HB ILE 25 -13.717 -9.533 -4.037 43 HG12 ILE 25 2HG1 ILE 25 -11.036 -10.356 -5.176 44 HG13 ILE 25 3HG1 ILE 25 -11.363 -8.876 -4.280 45 HG21 ILE 25 1HG2 ILE 25 -12.773 -12.008 -5.435 46 HG22 ILE 25 2HG2 ILE 25 -13.744 -11.858 -3.972 47 HG23 ILE 25 3HG2 ILE 25 -14.454 -11.488 -5.543 48 HD11 ILE 25 1HD1 ILE 25 -11.985 -10.265 -2.325 49 HD12 ILE 25 2HD1 ILE 25 -11.486 -11.692 -3.234 50 HD13 ILE 25 3HD1 ILE 25 -10.304 -10.447 -2.827 51 H GLN 26 H GLN 26 -14.562 -9.792 -8.272 52 HA GLN 26 HA GLN 26 -17.177 -8.902 -7.279 53 HB2 GLN 26 2HB GLN 26 -15.931 -9.072 -9.981 54 HB3 GLN 26 3HB GLN 26 -17.676 -9.249 -9.863 55 HG2 GLN 26 2HG GLN 26 -17.622 -7.074 -8.523 56 HG3 GLN 26 3HG GLN 26 -15.981 -6.889 -9.139 57 HE21 GLN 26 1HE2 GLN 26 -15.689 -6.119 -11.138 58 HE22 GLN 26 2HE2 GLN 26 -16.956 -5.769 -12.258 59 HA PRO 27 HA PRO 27 -18.978 -12.889 -7.108 60 HB2 PRO 27 2HB PRO 27 -21.345 -12.495 -8.443 61 HB3 PRO 27 3HB PRO 27 -21.045 -11.978 -6.780 62 HG2 PRO 27 2HG PRO 27 -20.891 -10.390 -9.314 63 HG3 PRO 27 3HG PRO 27 -21.595 -9.936 -7.751 64 HD2 PRO 27 2HD PRO 27 -19.212 -9.068 -8.531 65 HD3 PRO 27 3HD PRO 27 -19.495 -9.461 -6.822 66 H GLY 28 H GLY 28 -17.448 -13.968 -8.463 67 HA2 GLY 28 2HA GLY 28 -18.105 -15.671 -10.303 68 HA3 GLY 28 3HA GLY 28 -18.203 -14.222 -11.293 69 H ASP 29 H ASP 29 -15.872 -13.219 -9.498 70 HA ASP 29 HA ASP 29 -13.810 -13.994 -11.334 71 HB2 ASP 29 2HB ASP 29 -13.595 -12.393 -8.776 72 HB3 ASP 29 3HB ASP 29 -12.376 -12.494 -10.044 73 H THR 30 H THR 30 -12.655 -15.789 -11.200 74 HA THR 30 HA THR 30 -12.518 -17.242 -8.674 75 HB THR 30 HB THR 30 -11.169 -18.844 -10.358 76 HG1 THR 30 HG1 THR 30 -11.952 -18.636 -12.432 77 HG21 THR 30 1HG2 THR 30 -14.140 -18.532 -9.991 78 HG22 THR 30 2HG2 THR 30 -13.048 -19.666 -9.195 79 HG23 THR 30 3HG2 THR 30 -13.441 -19.870 -10.902 80 H PHE 31 H PHE 31 -10.630 -17.753 -7.612 81 HA PHE 31 HA PHE 31 -8.567 -15.918 -7.564 82 HB2 PHE 31 2HB PHE 31 -8.943 -18.671 -6.517 83 HB3 PHE 31 3HB PHE 31 -7.291 -18.065 -6.572 84 HD1 PHE 31 HD1 PHE 31 -6.635 -17.468 -4.456 85 HD2 PHE 31 HD2 PHE 31 -10.548 -16.434 -5.771 86 HE1 PHE 31 HE1 PHE 31 -7.014 -16.245 -2.355 87 HE2 PHE 31 HE2 PHE 31 -10.933 -15.208 -3.673 88 HZ PHE 31 HZ PHE 31 -9.165 -15.112 -1.962 89 H TRP 32 H TRP 32 -8.377 -19.214 -8.921 90 HA TRP 32 HA TRP 32 -5.866 -19.036 -10.052 91 HB2 TRP 32 2HB TRP 32 -7.001 -21.152 -9.965 92 HB3 TRP 32 3HB TRP 32 -8.302 -20.556 -10.992 93 HD1 TRP 32 HD1 TRP 32 -4.437 -20.802 -11.412 94 HE1 TRP 32 HE1 TRP 32 -3.965 -21.745 -13.760 95 HE3 TRP 32 HE3 TRP 32 -9.249 -21.355 -13.047 96 HZ2 TRP 32 HZ2 TRP 32 -5.438 -22.609 -16.008 97 HZ3 TRP 32 HZ3 TRP 32 -9.632 -22.246 -15.308 98 HH2 TRP 32 HH2 TRP 32 -7.764 -22.859 -16.757 99 H ALA 33 H ALA 33 -8.988 -18.253 -11.570 100 HA ALA 33 HA ALA 33 -8.071 -17.531 -14.085 101 HB1 ALA 33 1HB ALA 33 -10.374 -16.339 -12.544 102 HB2 ALA 33 2HB ALA 33 -10.118 -16.199 -14.284 103 HB3 ALA 33 3HB ALA 33 -10.434 -17.778 -13.564 104 H ILE 34 H ILE 34 -8.511 -15.460 -11.223 105 HA ILE 34 HA ILE 34 -7.614 -13.078 -12.428 106 HB ILE 34 HB ILE 34 -7.535 -13.864 -9.513 107 HG12 ILE 34 2HG1 ILE 34 -9.562 -12.042 -10.759 108 HG13 ILE 34 3HG1 ILE 34 -9.768 -13.786 -10.890 109 HG21 ILE 34 1HG2 ILE 34 -6.338 -11.996 -9.276 110 HG22 ILE 34 2HG2 ILE 34 -6.663 -11.477 -10.929 111 HG23 ILE 34 3HG2 ILE 34 -7.829 -11.133 -9.652 112 HD11 ILE 34 1HD1 ILE 34 -9.182 -12.834 -8.186 113 HD12 ILE 34 2HD1 ILE 34 -10.708 -12.261 -8.861 114 HD13 ILE 34 3HD1 ILE 34 -10.385 -13.991 -8.753 115 H ALA 35 H ALA 35 -5.923 -15.748 -10.943 116 HA ALA 35 HA ALA 35 -3.420 -14.450 -10.607 117 HB1 ALA 35 1HB ALA 35 -3.363 -17.348 -11.079 118 HB2 ALA 35 2HB ALA 35 -2.733 -16.401 -9.730 119 HB3 ALA 35 3HB ALA 35 -4.445 -16.823 -9.789 120 H GLN 36 H GLN 36 -4.468 -16.861 -13.026 121 HA GLN 36 HA GLN 36 -2.194 -16.600 -14.659 122 HB2 GLN 36 2HB GLN 36 -3.494 -17.790 -16.355 123 HB3 GLN 36 3HB GLN 36 -3.692 -18.534 -14.774 124 HG2 GLN 36 2HG GLN 36 -5.842 -18.536 -15.579 125 HG3 GLN 36 3HG GLN 36 -5.812 -17.058 -14.618 126 HE21 GLN 36 1HE2 GLN 36 -7.426 -16.043 -15.745 127 HE22 GLN 36 2HE2 GLN 36 -7.242 -15.495 -17.373 128 H ARG 37 H ARG 37 -5.097 -14.724 -14.399 129 HA ARG 37 HA ARG 37 -4.828 -13.428 -16.948 130 HB2 ARG 37 2HB ARG 37 -7.009 -13.715 -15.770 131 HB3 ARG 37 3HB ARG 37 -6.459 -12.571 -14.553 132 HG2 ARG 37 2HG ARG 37 -6.454 -10.784 -16.091 133 HG3 ARG 37 3HG ARG 37 -6.617 -11.874 -17.469 134 HD2 ARG 37 2HD ARG 37 -8.746 -10.873 -17.094 135 HD3 ARG 37 3HD ARG 37 -8.847 -12.551 -16.561 136 HE ARG 37 HE ARG 37 -8.208 -11.201 -14.297 137 HH11 ARG 37 1HH1 ARG 37 -10.711 -10.851 -16.691 138 HH12 ARG 37 2HH1 ARG 37 -11.866 -10.198 -15.577 139 HH21 ARG 37 1HH2 ARG 37 -9.720 -10.342 -12.821 140 HH22 ARG 37 2HH2 ARG 37 -11.301 -9.908 -13.376 141 H ARG 38 H ARG 38 -4.543 -12.238 -13.594 142 HA ARG 38 HA ARG 38 -3.387 -9.769 -14.293 143 HB2 ARG 38 2HB ARG 38 -3.402 -11.355 -11.730 144 HB3 ARG 38 3HB ARG 38 -2.626 -9.782 -11.855 145 HG2 ARG 38 2HG ARG 38 -5.534 -10.322 -12.420 146 HG3 ARG 38 3HG ARG 38 -4.893 -9.661 -10.915 147 HD2 ARG 38 2HD ARG 38 -3.779 -7.957 -12.658 148 HD3 ARG 38 3HD ARG 38 -5.228 -8.390 -13.564 149 HE ARG 38 HE ARG 38 -5.756 -7.670 -10.835 150 HH11 ARG 38 1HH1 ARG 38 -5.288 -6.467 -14.068 151 HH12 ARG 38 2HH1 ARG 38 -6.179 -5.007 -13.793 152 HH21 ARG 38 1HH2 ARG 38 -6.931 -5.752 -10.461 153 HH22 ARG 38 2HH2 ARG 38 -7.113 -4.601 -11.741 154 H GLY 39 H GLY 39 -2.046 -12.943 -13.906 155 HA2 GLY 39 2HA GLY 39 0.052 -13.532 -14.864 156 HA3 GLY 39 3HA GLY 39 0.582 -11.870 -14.653 157 H THR 40 H THR 40 -1.052 -13.337 -12.009 158 HA THR 40 HA THR 40 1.531 -13.748 -10.647 159 HB THR 40 HB THR 40 0.282 -11.749 -9.822 160 HG1 THR 40 HG1 THR 40 0.225 -12.724 -7.523 161 HG21 THR 40 1HG2 THR 40 -1.733 -12.086 -8.481 162 HG22 THR 40 2HG2 THR 40 -1.720 -13.804 -8.878 163 HG23 THR 40 3HG2 THR 40 -1.994 -12.609 -10.145 164 H THR 41 H THR 41 1.157 -15.105 -8.560 165 HA THR 41 HA THR 41 -0.264 -17.527 -9.397 166 HB THR 41 HB THR 41 1.028 -18.564 -7.448 167 HG1 THR 41 HG1 THR 41 2.619 -16.222 -7.730 168 HG21 THR 41 1HG2 THR 41 3.019 -17.520 -9.379 169 HG22 THR 41 2HG2 THR 41 1.627 -18.369 -10.051 170 HG23 THR 41 3HG2 THR 41 2.677 -19.179 -8.889 171 H VAL 42 H VAL 42 -1.801 -18.529 -8.140 172 HA VAL 42 HA VAL 42 -3.539 -17.005 -6.634 173 HB VAL 42 HB VAL 42 -3.086 -19.984 -6.406 174 HG11 VAL 42 1HG1 VAL 42 -4.616 -19.955 -4.798 175 HG12 VAL 42 2HG1 VAL 42 -4.825 -18.211 -4.975 176 HG13 VAL 42 3HG1 VAL 42 -5.779 -19.319 -5.962 177 HG21 VAL 42 1HG2 VAL 42 -3.860 -18.557 -8.621 178 HG22 VAL 42 2HG2 VAL 42 -4.202 -20.262 -8.325 179 HG23 VAL 42 3HG2 VAL 42 -5.400 -19.037 -7.907 180 H ASP 43 H ASP 43 -0.873 -19.051 -5.513 181 HA ASP 43 HA ASP 43 -1.276 -18.932 -2.784 182 HB2 ASP 43 2HB ASP 43 0.487 -20.265 -3.978 183 HB3 ASP 43 3HB ASP 43 1.425 -18.783 -4.134 184 H VAL 44 H VAL 44 0.435 -16.610 -4.851 185 HA VAL 44 HA VAL 44 1.162 -14.860 -2.734 186 HB VAL 44 HB VAL 44 0.891 -14.267 -5.685 187 HG11 VAL 44 1HG1 VAL 44 1.628 -12.627 -3.384 188 HG12 VAL 44 2HG1 VAL 44 2.825 -12.608 -4.680 189 HG13 VAL 44 3HG1 VAL 44 1.155 -12.148 -5.014 190 HG21 VAL 44 1HG2 VAL 44 3.175 -14.796 -5.916 191 HG22 VAL 44 2HG2 VAL 44 3.421 -14.859 -4.171 192 HG23 VAL 44 3HG2 VAL 44 2.483 -16.117 -4.974 193 H ILE 45 H ILE 45 -1.482 -14.834 -5.103 194 HA ILE 45 HA ILE 45 -2.647 -12.408 -4.501 195 HB ILE 45 HB ILE 45 -4.085 -14.974 -5.187 196 HG12 ILE 45 2HG1 ILE 45 -3.328 -12.760 -7.082 197 HG13 ILE 45 3HG1 ILE 45 -2.232 -14.095 -6.744 198 HG21 ILE 45 1HG2 ILE 45 -5.676 -13.414 -4.351 199 HG22 ILE 45 2HG2 ILE 45 -4.961 -12.096 -5.279 200 HG23 ILE 45 3HG2 ILE 45 -5.808 -13.401 -6.109 201 HD11 ILE 45 1HD1 ILE 45 -3.406 -15.535 -7.994 202 HD12 ILE 45 2HD1 ILE 45 -4.961 -14.881 -7.478 203 HD13 ILE 45 3HD1 ILE 45 -4.039 -14.069 -8.743 204 H GLN 46 H GLN 46 -3.152 -15.535 -2.904 205 HA GLN 46 HA GLN 46 -5.051 -14.493 -1.032 206 HB2 GLN 46 2HB GLN 46 -4.823 -16.917 -1.828 207 HB3 GLN 46 3HB GLN 46 -3.476 -17.039 -0.704 208 HG2 GLN 46 2HG GLN 46 -5.039 -16.325 1.112 209 HG3 GLN 46 3HG GLN 46 -6.354 -16.465 -0.054 210 HE21 GLN 46 1HE2 GLN 46 -6.050 -18.675 -1.353 211 HE22 GLN 46 2HE2 GLN 46 -5.937 -20.058 -0.323 212 H SER 47 H SER 47 -1.605 -15.288 -0.936 213 HA SER 47 HA SER 47 -1.117 -14.935 1.768 214 HB2 SER 47 2HB SER 47 0.724 -15.762 0.640 215 HB3 SER 47 3HB SER 47 0.545 -14.628 -0.699 216 HG SER 47 HG SER 47 2.181 -14.416 1.320 217 H LEU 48 H LEU 48 -1.451 -12.540 -0.782 218 HA LEU 48 HA LEU 48 -0.588 -10.323 0.785 219 HB2 LEU 48 2HB LEU 48 -1.878 -10.722 -1.851 220 HB3 LEU 48 3HB LEU 48 -2.074 -9.142 -1.095 221 HG LEU 48 HG LEU 48 0.609 -10.416 -1.605 222 HD11 LEU 48 1HD1 LEU 48 0.660 -8.631 -3.457 223 HD12 LEU 48 2HD1 LEU 48 -1.099 -8.674 -3.342 224 HD13 LEU 48 3HD1 LEU 48 -0.207 -10.136 -3.763 225 HD21 LEU 48 1HD2 LEU 48 1.113 -8.789 -0.118 226 HD22 LEU 48 2HD2 LEU 48 -0.355 -7.871 -0.456 227 HD23 LEU 48 3HD2 LEU 48 1.022 -7.767 -1.553 228 H ASN 49 H ASN 49 -3.576 -12.029 0.431 229 HA ASN 49 HA ASN 49 -4.811 -10.198 2.361 230 HB2 ASN 49 2HB ASN 49 -6.410 -11.349 0.084 231 HB3 ASN 49 3HB ASN 49 -6.840 -10.030 1.168 232 HD21 ASN 49 1HD2 ASN 49 -4.831 -10.978 -1.531 233 HD22 ASN 49 2HD2 ASN 49 -4.519 -9.380 -2.109 234 HA PRO 50 HA PRO 50 -5.135 -14.656 3.622 235 HB2 PRO 50 2HB PRO 50 -4.348 -14.229 6.185 236 HB3 PRO 50 3HB PRO 50 -3.208 -14.521 4.866 237 HG2 PRO 50 2HG PRO 50 -4.039 -11.929 6.113 238 HG3 PRO 50 3HG PRO 50 -2.420 -12.474 5.638 239 HD2 PRO 50 2HD PRO 50 -3.892 -10.782 4.120 240 HD3 PRO 50 3HD PRO 50 -2.760 -11.956 3.418 241 H GLY 51 H GLY 51 -6.342 -11.625 4.833 242 HA2 GLY 51 2HA GLY 51 -8.078 -12.502 6.837 243 HA3 GLY 51 3HA GLY 51 -8.314 -11.060 5.861 244 H VAL 52 H VAL 52 -8.308 -12.846 3.406 245 HA VAL 52 HA VAL 52 -11.118 -13.686 3.649 246 HB VAL 52 HB VAL 52 -9.597 -13.043 1.121 247 HG11 VAL 52 1HG1 VAL 52 -11.312 -14.351 0.372 248 HG12 VAL 52 2HG1 VAL 52 -12.369 -13.935 1.722 249 HG13 VAL 52 3HG1 VAL 52 -12.128 -12.788 0.403 250 HG21 VAL 52 1HG2 VAL 52 -11.378 -11.358 2.856 251 HG22 VAL 52 2HG2 VAL 52 -9.759 -10.995 2.260 252 HG23 VAL 52 3HG2 VAL 52 -11.127 -11.000 1.147 253 H VAL 53 H VAL 53 -11.764 -15.705 3.008 254 HA VAL 53 HA VAL 53 -9.623 -17.582 2.238 255 HB VAL 53 HB VAL 53 -11.105 -19.334 3.380 256 HG11 VAL 53 1HG1 VAL 53 -10.265 -18.178 5.720 257 HG12 VAL 53 2HG1 VAL 53 -9.271 -19.170 4.651 258 HG13 VAL 53 3HG1 VAL 53 -9.227 -17.412 4.518 259 HG21 VAL 53 1HG2 VAL 53 -12.965 -17.499 3.583 260 HG22 VAL 53 2HG2 VAL 53 -12.762 -18.711 4.848 261 HG23 VAL 53 3HG2 VAL 53 -12.107 -17.088 5.068 262 HA PRO 54 HA PRO 54 -11.992 -18.766 -1.262 263 HB2 PRO 54 2HB PRO 54 -11.400 -21.409 -1.447 264 HB3 PRO 54 3HB PRO 54 -10.240 -20.135 -1.842 265 HG2 PRO 54 2HG PRO 54 -10.501 -21.749 0.666 266 HG3 PRO 54 3HG PRO 54 -9.036 -21.293 -0.223 267 HD2 PRO 54 2HD PRO 54 -9.849 -19.993 2.009 268 HD3 PRO 54 3HD PRO 54 -8.991 -19.176 0.687 269 H THR 55 H THR 55 -12.450 -20.501 1.736 270 HA THR 55 HA THR 55 -14.607 -22.135 1.050 271 HB THR 55 HB THR 55 -14.452 -20.817 3.743 272 HG1 THR 55 HG1 THR 55 -12.526 -21.622 4.040 273 HG21 THR 55 1HG2 THR 55 -16.265 -22.422 3.265 274 HG22 THR 55 2HG2 THR 55 -15.174 -23.004 4.522 275 HG23 THR 55 3HG2 THR 55 -15.058 -23.649 2.885 276 H ARG 56 H ARG 56 -14.613 -18.836 2.389 277 HA ARG 56 HA ARG 56 -17.439 -18.608 1.592 278 HB2 ARG 56 2HB ARG 56 -17.429 -16.650 3.234 279 HB3 ARG 56 3HB ARG 56 -17.341 -18.268 3.918 280 HG2 ARG 56 2HG ARG 56 -14.895 -18.003 4.133 281 HG3 ARG 56 3HG ARG 56 -15.054 -16.346 3.548 282 HD2 ARG 56 2HD ARG 56 -16.156 -17.532 6.085 283 HD3 ARG 56 3HD ARG 56 -14.967 -16.241 5.919 284 HE ARG 56 HE ARG 56 -17.832 -16.000 5.742 285 HH11 ARG 56 1HH1 ARG 56 -14.762 -14.576 4.925 286 HH12 ARG 56 2HH1 ARG 56 -15.401 -12.973 4.764 287 HH21 ARG 56 1HH2 ARG 56 -18.685 -13.895 5.533 288 HH22 ARG 56 2HH2 ARG 56 -17.633 -12.587 5.111 289 H LEU 57 H LEU 57 -16.216 -18.261 -0.567 290 HA LEU 57 HA LEU 57 -14.785 -15.938 -1.114 291 HB2 LEU 57 2HB LEU 57 -15.437 -18.044 -2.570 292 HB3 LEU 57 3HB LEU 57 -16.712 -16.966 -3.134 293 HG LEU 57 HG LEU 57 -14.906 -16.867 -4.690 294 HD11 LEU 57 1HD1 LEU 57 -16.075 -14.732 -3.914 295 HD12 LEU 57 2HD1 LEU 57 -14.559 -14.559 -4.798 296 HD13 LEU 57 3HD1 LEU 57 -14.582 -14.381 -3.043 297 HD21 LEU 57 1HD2 LEU 57 -12.880 -15.735 -2.930 298 HD22 LEU 57 2HD2 LEU 57 -12.740 -16.989 -4.162 299 HD23 LEU 57 3HD2 LEU 57 -13.285 -17.407 -2.537 300 H GLN 58 H GLN 58 -15.518 -14.035 -0.324 301 HA GLN 58 HA GLN 58 -18.275 -13.269 -0.434 302 HB2 GLN 58 2HB GLN 58 -15.762 -11.754 0.270 303 HB3 GLN 58 3HB GLN 58 -17.365 -11.034 0.325 304 HG2 GLN 58 2HG GLN 58 -16.928 -13.570 1.799 305 HG3 GLN 58 3HG GLN 58 -16.227 -12.092 2.457 306 HE21 GLN 58 1HE2 GLN 58 -17.652 -10.333 2.938 307 HE22 GLN 58 2HE2 GLN 58 -19.304 -10.640 3.337 308 H VAL 59 H VAL 59 -19.297 -11.901 -1.825 309 HA VAL 59 HA VAL 59 -17.844 -11.258 -4.293 310 HB VAL 59 HB VAL 59 -20.022 -11.020 -5.355 311 HG11 VAL 59 1HG1 VAL 59 -18.940 -13.259 -5.143 312 HG12 VAL 59 2HG1 VAL 59 -19.973 -13.567 -3.745 313 HG13 VAL 59 3HG1 VAL 59 -20.692 -13.316 -5.336 314 HG21 VAL 59 1HG2 VAL 59 -21.112 -11.582 -2.602 315 HG22 VAL 59 2HG2 VAL 59 -21.331 -10.119 -3.561 316 HG23 VAL 59 3HG2 VAL 59 -22.076 -11.631 -4.077 317 H GLY 60 H GLY 60 -17.512 -9.210 -4.947 318 HA2 GLY 60 2HA GLY 60 -17.769 -6.906 -5.077 319 HA3 GLY 60 3HA GLY 60 -19.096 -7.019 -3.930 320 H GLN 61 H GLN 61 -15.695 -8.023 -3.669 321 HA GLN 61 HA GLN 61 -15.364 -6.074 -1.493 322 HB2 GLN 61 2HB GLN 61 -15.793 -8.370 -0.596 323 HB3 GLN 61 3HB GLN 61 -14.335 -8.914 -1.414 324 HG2 GLN 61 2HG GLN 61 -12.940 -7.741 0.006 325 HG3 GLN 61 3HG GLN 61 -14.214 -6.628 0.502 326 HE21 GLN 61 1HE2 GLN 61 -13.529 -10.112 0.548 327 HE22 GLN 61 2HE2 GLN 61 -14.092 -10.374 2.160 328 H VAL 62 H VAL 62 -13.581 -4.875 -1.655 329 HA VAL 62 HA VAL 62 -11.745 -5.370 -3.834 330 HB VAL 62 HB VAL 62 -12.548 -3.082 -3.334 331 HG11 VAL 62 1HG1 VAL 62 -12.418 -3.521 -0.797 332 HG12 VAL 62 2HG1 VAL 62 -10.726 -3.047 -0.956 333 HG13 VAL 62 3HG1 VAL 62 -12.005 -1.915 -1.396 334 HG21 VAL 62 1HG2 VAL 62 -9.621 -2.973 -2.833 335 HG22 VAL 62 2HG2 VAL 62 -10.183 -3.783 -4.295 336 HG23 VAL 62 3HG2 VAL 62 -10.602 -2.094 -4.006 337 H ILE 63 H ILE 63 -9.496 -5.621 -3.636 338 HA ILE 63 HA ILE 63 -8.367 -6.085 -0.997 339 HB ILE 63 HB ILE 63 -7.455 -8.294 -1.620 340 HG12 ILE 63 2HG1 ILE 63 -9.461 -8.422 -3.849 341 HG13 ILE 63 3HG1 ILE 63 -7.855 -7.765 -4.145 342 HG21 ILE 63 1HG2 ILE 63 -10.453 -8.348 -1.829 343 HG22 ILE 63 2HG2 ILE 63 -9.386 -9.531 -1.074 344 HG23 ILE 63 3HG2 ILE 63 -9.611 -7.947 -0.332 345 HD11 ILE 63 1HD1 ILE 63 -6.820 -9.818 -3.629 346 HD12 ILE 63 2HD1 ILE 63 -8.306 -10.478 -2.946 347 HD13 ILE 63 3HD1 ILE 63 -8.182 -10.199 -4.682 348 H ASN 64 H ASN 64 -5.969 -7.018 -1.459 349 HA ASN 64 HA ASN 64 -4.785 -5.057 -3.290 350 HB2 ASN 64 2HB ASN 64 -3.933 -6.318 -0.745 351 HB3 ASN 64 3HB ASN 64 -2.661 -6.008 -1.924 352 HD21 ASN 64 1HD2 ASN 64 -3.458 -4.800 0.732 353 HD22 ASN 64 2HD2 ASN 64 -3.482 -3.099 0.427 354 H VAL 65 H VAL 65 -3.070 -5.651 -4.696 355 HA VAL 65 HA VAL 65 -2.489 -8.459 -5.103 356 HB VAL 65 HB VAL 65 -3.065 -8.230 -7.590 357 HG11 VAL 65 1HG1 VAL 65 -5.465 -8.275 -5.785 358 HG12 VAL 65 2HG1 VAL 65 -5.179 -9.196 -7.263 359 HG13 VAL 65 3HG1 VAL 65 -4.278 -9.578 -5.795 360 HG21 VAL 65 1HG2 VAL 65 -4.993 -6.154 -6.576 361 HG22 VAL 65 2HG2 VAL 65 -3.477 -5.745 -7.379 362 HG23 VAL 65 3HG2 VAL 65 -4.713 -6.659 -8.242 363 HA PRO 66 HA PRO 66 1.372 -6.899 -6.493 364 HB2 PRO 66 2HB PRO 66 2.121 -8.812 -8.267 365 HB3 PRO 66 3HB PRO 66 2.112 -9.074 -6.519 366 HG2 PRO 66 2HG PRO 66 0.081 -9.878 -8.566 367 HG3 PRO 66 3HG PRO 66 0.718 -10.807 -7.197 368 HD2 PRO 66 2HD PRO 66 -1.684 -9.558 -7.119 369 HD3 PRO 66 3HD PRO 66 -0.664 -9.757 -5.679 370 H CYS 67 H CYS 67 1.874 -5.307 -7.854 371 HA CYS 67 HA CYS 67 0.449 -5.133 -10.411 372 HB2 CYS 67 2HB CYS 67 0.642 -3.242 -8.555 373 HB3 CYS 67 3HB CYS 67 2.155 -2.907 -9.391
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