NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
602321 | 2n7q | 25817 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ALA 1 1HT ALA 1 -3.350 27.636 9.825 2 HA ALA 1 HA ALA 1 -4.700 27.070 7.285 3 HB1 ALA 1 2HB ALA 1 -3.114 28.283 6.196 4 HB2 ALA 1 3HB ALA 1 -2.054 26.935 6.605 5 HB3 ALA 1 1HB ALA 1 -2.075 28.379 7.618 6 H SER 2 H SER 2 -3.229 26.272 10.189 7 HA SER 2 HA SER 2 -1.847 23.897 9.641 8 HB2 SER 2 2HB SER 2 -2.960 23.382 12.069 9 HB3 SER 2 1HB SER 2 -1.529 24.380 11.832 10 HG SER 2 HG SER 2 -3.003 25.554 13.018 11 H LYS 3 H LYS 3 -5.292 24.539 10.016 12 HA LYS 3 HA LYS 3 -6.208 21.887 10.207 13 HB2 LYS 3 2HB LYS 3 -7.594 24.235 8.890 14 HB3 LYS 3 1HB LYS 3 -8.366 22.766 9.490 15 HG2 LYS 3 2HG LYS 3 -7.757 23.284 11.766 16 HG3 LYS 3 1HG LYS 3 -6.744 24.631 11.240 17 HD2 LYS 3 2HD LYS 3 -8.852 25.660 10.237 18 HD3 LYS 3 1HD LYS 3 -9.761 24.420 11.101 19 HE2 LYS 3 2HE LYS 3 -9.722 25.765 12.906 20 HE3 LYS 3 1HE LYS 3 -7.986 25.483 13.003 21 HZ1 LYS 3 3HZ LYS 3 -9.429 27.799 12.055 22 HZ2 LYS 3 1HZ LYS 3 -8.142 27.324 11.059 23 HZ3 LYS 3 2HZ LYS 3 -7.861 27.680 12.695 24 H GLU 4 H GLU 4 -5.885 23.985 7.337 25 HA GLU 4 HA GLU 4 -6.706 22.119 5.423 26 HB2 GLU 4 2HB GLU 4 -6.295 24.599 5.083 27 HB3 GLU 4 1HB GLU 4 -4.577 24.213 4.977 28 HG2 GLU 4 2HG GLU 4 -5.189 24.105 2.737 29 HG3 GLU 4 1HG GLU 4 -5.392 22.424 3.217 30 H LEU 5 H LEU 5 -3.511 22.725 6.818 31 HA LEU 5 HA LEU 5 -2.074 20.948 5.139 32 HB2 LEU 5 2HB LEU 5 -1.559 22.221 7.801 33 HB3 LEU 5 1HB LEU 5 -0.476 20.958 7.213 34 HG LEU 5 HG LEU 5 -1.221 23.171 5.341 35 HD11 LEU 5 1HD1 LEU 5 0.469 23.417 7.803 36 HD12 LEU 5 2HD1 LEU 5 -0.583 24.613 7.045 37 HD13 LEU 5 3HD1 LEU 5 0.991 24.249 6.338 38 HD21 LEU 5 3HD2 LEU 5 0.792 22.590 4.296 39 HD22 LEU 5 1HD2 LEU 5 0.259 21.035 4.936 40 HD23 LEU 5 2HD2 LEU 5 1.498 21.960 5.784 41 H GLU 6 H GLU 6 -3.581 20.539 8.326 42 HA GLU 6 HA GLU 6 -2.746 17.897 8.804 43 HB2 GLU 6 2HB GLU 6 -4.146 19.719 10.232 44 HB3 GLU 6 1HB GLU 6 -5.456 18.654 9.725 45 HG2 GLU 6 2HG GLU 6 -3.930 16.720 10.500 46 HG3 GLU 6 1HG GLU 6 -2.998 17.964 11.333 47 H LEU 7 H LEU 7 -5.594 19.183 7.126 48 HA LEU 7 HA LEU 7 -6.897 16.721 6.682 49 HB2 LEU 7 2HB LEU 7 -6.965 19.363 5.224 50 HB3 LEU 7 1HB LEU 7 -7.958 17.989 4.734 51 HG LEU 7 HG LEU 7 -7.987 18.728 7.621 52 HD11 LEU 7 1HD1 LEU 7 -8.288 20.926 6.872 53 HD12 LEU 7 2HD1 LEU 7 -9.946 20.327 6.922 54 HD13 LEU 7 3HD1 LEU 7 -9.085 20.414 5.385 55 HD21 LEU 7 3HD2 LEU 7 -10.296 17.983 7.422 56 HD22 LEU 7 1HD2 LEU 7 -9.256 16.802 6.627 57 HD23 LEU 7 2HD2 LEU 7 -10.174 17.959 5.663 58 H ILE 8 H ILE 8 -4.567 18.539 4.707 59 HA ILE 8 HA ILE 8 -4.566 16.822 2.476 60 HB ILE 8 HB ILE 8 -2.384 18.606 3.578 61 HG12 ILE 8 2HG1 ILE 8 -4.103 19.108 1.158 62 HG13 ILE 8 1HG1 ILE 8 -4.708 19.502 2.767 63 HG21 ILE 8 1HG2 ILE 8 -2.643 17.084 0.976 64 HG22 ILE 8 2HG2 ILE 8 -1.317 17.020 2.136 65 HG23 ILE 8 3HG2 ILE 8 -1.568 18.467 1.164 66 HD11 ILE 8 3HD1 ILE 8 -3.171 21.189 3.085 67 HD12 ILE 8 1HD1 ILE 8 -3.303 21.267 1.329 68 HD13 ILE 8 2HD1 ILE 8 -1.952 20.415 2.075 69 H THR 9 H THR 9 -2.566 16.847 5.411 70 HA THR 9 HA THR 9 -0.842 14.737 4.713 71 HB THR 9 HB THR 9 -1.829 15.572 7.451 72 HG1 THR 9 1HG THR 9 0.586 16.202 6.122 73 HG21 THR 9 3HG2 THR 9 -0.776 13.653 8.054 74 HG22 THR 9 1HG2 THR 9 0.699 14.573 7.755 75 HG23 THR 9 2HG2 THR 9 0.053 13.511 6.504 76 H LEU 10 H LEU 10 -3.984 14.734 6.368 77 HA LEU 10 HA LEU 10 -4.056 11.953 6.909 78 HB2 LEU 10 2HB LEU 10 -5.599 14.045 7.647 79 HB3 LEU 10 1HB LEU 10 -6.621 13.348 6.389 80 HG LEU 10 HG LEU 10 -5.469 11.849 8.761 81 HD11 LEU 10 1HD1 LEU 10 -8.377 11.964 8.392 82 HD12 LEU 10 2HD1 LEU 10 -7.650 13.546 8.684 83 HD13 LEU 10 3HD1 LEU 10 -7.416 12.240 9.846 84 HD21 LEU 10 3HD2 LEU 10 -5.641 10.216 7.101 85 HD22 LEU 10 1HD2 LEU 10 -6.988 11.029 6.302 86 HD23 LEU 10 2HD2 LEU 10 -7.256 10.153 7.809 87 H THR 11 H THR 11 -5.049 13.894 4.139 88 HA THR 11 HA THR 11 -6.517 11.948 2.747 89 HB THR 11 HB THR 11 -4.789 14.148 1.588 90 HG1 THR 11 1HG THR 11 -7.384 14.055 2.672 91 HG21 THR 11 3HG2 THR 11 -6.439 12.098 0.410 92 HG22 THR 11 1HG2 THR 11 -5.479 13.339 -0.392 93 HG23 THR 11 2HG2 THR 11 -7.140 13.684 0.089 94 H VAL 12 H VAL 12 -3.046 12.687 2.741 95 HA VAL 12 HA VAL 12 -2.334 10.813 0.730 96 HB VAL 12 HB VAL 12 -0.679 11.963 2.989 97 HG11 VAL 12 1HG1 VAL 12 0.989 11.419 0.859 98 HG12 VAL 12 2HG1 VAL 12 -0.114 10.044 0.835 99 HG13 VAL 12 3HG1 VAL 12 0.813 10.405 2.291 100 HG21 VAL 12 3HG2 VAL 12 -1.214 12.823 0.133 101 HG22 VAL 12 1HG2 VAL 12 0.145 13.435 1.077 102 HG23 VAL 12 2HG2 VAL 12 -1.507 13.744 1.607 103 H GLY 13 H GLY 13 -2.442 10.629 4.272 104 HA2 GLY 13 2HA GLY 13 -1.319 8.089 4.614 105 HA3 GLY 13 1HA GLY 13 -2.495 8.824 5.700 106 H PHE 14 H PHE 14 -4.719 9.023 4.094 107 HA PHE 14 HA PHE 14 -5.795 6.414 4.223 108 HB2 PHE 14 2HB PHE 14 -7.279 8.287 4.413 109 HB3 PHE 14 1HB PHE 14 -6.763 8.929 2.854 110 HD1 PHE 14 2HD PHE 14 -8.000 5.646 4.216 111 HD2 PHE 14 1HD PHE 14 -8.253 8.591 1.098 112 HE1 PHE 14 2HE PHE 14 -9.746 4.300 3.086 113 HE2 PHE 14 1HE PHE 14 -10.000 7.245 -0.031 114 HZ PHE 14 HZ PHE 14 -10.748 5.098 0.962 115 H GLY 15 H GLY 15 -4.495 8.324 1.547 116 HA2 GLY 15 2HA GLY 15 -5.249 6.585 -0.551 117 HA3 GLY 15 1HA GLY 15 -3.938 7.759 -0.614 118 H ILE 16 H ILE 16 -2.365 6.735 1.497 119 HA ILE 16 HA ILE 16 -0.840 4.784 0.145 120 HB ILE 16 HB ILE 16 -0.838 5.706 3.022 121 HG12 ILE 16 2HG1 ILE 16 1.281 6.141 0.923 122 HG13 ILE 16 1HG1 ILE 16 -0.137 7.190 0.990 123 HG21 ILE 16 1HG2 ILE 16 1.603 4.587 2.653 124 HG22 ILE 16 2HG2 ILE 16 0.626 3.511 1.659 125 HG23 ILE 16 3HG2 ILE 16 0.245 3.719 3.368 126 HD11 ILE 16 3HD1 ILE 16 0.457 8.098 3.034 127 HD12 ILE 16 1HD1 ILE 16 2.060 7.772 2.373 128 HD13 ILE 16 2HD1 ILE 16 1.342 6.656 3.535 129 H LEU 17 H LEU 17 -3.161 4.546 2.818 130 HA LEU 17 HA LEU 17 -2.843 1.802 3.361 131 HB2 LEU 17 2HB LEU 17 -5.064 3.781 3.770 132 HB3 LEU 17 1HB LEU 17 -5.344 2.071 4.096 133 HG LEU 17 HG LEU 17 -2.842 3.241 5.200 134 HD11 LEU 17 1HD1 LEU 17 -5.620 4.001 6.087 135 HD12 LEU 17 2HD1 LEU 17 -4.214 5.040 5.855 136 HD13 LEU 17 3HD1 LEU 17 -4.285 3.948 7.238 137 HD21 LEU 17 3HD2 LEU 17 -3.530 0.864 5.511 138 HD22 LEU 17 1HD2 LEU 17 -4.984 1.419 6.342 139 HD23 LEU 17 2HD2 LEU 17 -3.396 1.725 7.043 140 H ILE 18 H ILE 18 -4.976 3.511 1.092 141 HA ILE 18 HA ILE 18 -6.477 1.326 0.193 142 HB ILE 18 HB ILE 18 -5.577 3.824 -1.253 143 HG12 ILE 18 2HG1 ILE 18 -8.298 3.081 -0.154 144 HG13 ILE 18 1HG1 ILE 18 -7.099 3.953 0.799 145 HG21 ILE 18 1HG2 ILE 18 -6.204 2.648 -3.106 146 HG22 ILE 18 2HG2 ILE 18 -7.834 3.004 -2.535 147 HG23 ILE 18 3HG2 ILE 18 -7.093 1.449 -2.166 148 HD11 ILE 18 3HD1 ILE 18 -7.457 5.084 -1.877 149 HD12 ILE 18 1HD1 ILE 18 -7.472 5.889 -0.308 150 HD13 ILE 18 2HD1 ILE 18 -8.939 5.116 -0.914 151 H PHE 19 H PHE 19 -3.510 2.705 -1.229 152 HA PHE 19 HA PHE 19 -3.171 0.809 -3.265 153 HB2 PHE 19 2HB PHE 19 -1.871 3.039 -2.676 154 HB3 PHE 19 1HB PHE 19 -0.769 1.917 -1.877 155 HD1 PHE 19 2HD PHE 19 -2.272 2.896 -5.108 156 HD2 PHE 19 1HD PHE 19 0.552 0.327 -3.140 157 HE1 PHE 19 2HE PHE 19 -1.291 2.293 -7.305 158 HE2 PHE 19 1HE PHE 19 1.533 -0.277 -5.338 159 HZ PHE 19 HZ PHE 19 0.612 0.707 -7.419 160 H SER 20 H SER 20 -1.805 0.849 0.027 161 HA SER 20 HA SER 20 -0.330 -1.506 -0.090 162 HB2 SER 20 2HB SER 20 -0.949 0.329 1.871 163 HB3 SER 20 1HB SER 20 -1.743 -1.133 2.451 164 HG SER 20 HG SER 20 0.147 -2.036 2.747 165 H LEU 21 H LEU 21 -3.763 -1.042 0.691 166 HA LEU 21 HA LEU 21 -4.335 -3.724 1.316 167 HB2 LEU 21 2HB LEU 21 -5.848 -1.820 1.833 168 HB3 LEU 21 1HB LEU 21 -6.186 -1.644 0.117 169 HG LEU 21 HG LEU 21 -7.054 -3.975 0.063 170 HD11 LEU 21 1HD1 LEU 21 -6.114 -3.862 2.897 171 HD12 LEU 21 2HD1 LEU 21 -6.078 -5.205 1.755 172 HD13 LEU 21 3HD1 LEU 21 -7.583 -4.771 2.558 173 HD21 LEU 21 3HD2 LEU 21 -9.050 -3.510 1.629 174 HD22 LEU 21 1HD2 LEU 21 -8.741 -2.344 0.340 175 HD23 LEU 21 2HD2 LEU 21 -8.240 -1.985 1.992 176 H ILE 22 H ILE 22 -4.703 -1.921 -1.729 177 HA ILE 22 HA ILE 22 -5.720 -4.033 -3.276 178 HB ILE 22 HB ILE 22 -4.096 -1.602 -4.040 179 HG12 ILE 22 2HG1 ILE 22 -6.990 -2.143 -4.664 180 HG13 ILE 22 1HG1 ILE 22 -6.536 -1.552 -3.065 181 HG21 ILE 22 1HG2 ILE 22 -5.110 -2.160 -6.357 182 HG22 ILE 22 2HG2 ILE 22 -5.321 -3.790 -5.718 183 HG23 ILE 22 3HG2 ILE 22 -3.707 -3.092 -5.834 184 HD11 ILE 22 3HD1 ILE 22 -7.114 0.239 -4.797 185 HD12 ILE 22 1HD1 ILE 22 -5.611 -0.201 -5.607 186 HD13 ILE 22 2HD1 ILE 22 -5.574 0.438 -3.963 187 H VAL 23 H VAL 23 -2.492 -3.309 -2.226 188 HA VAL 23 HA VAL 23 -1.145 -4.976 -4.132 189 HB VAL 23 HB VAL 23 -0.280 -3.751 -1.510 190 HG11 VAL 23 1HG1 VAL 23 1.079 -5.677 -3.353 191 HG12 VAL 23 2HG1 VAL 23 1.181 -5.546 -1.598 192 HG13 VAL 23 3HG1 VAL 23 2.044 -4.397 -2.618 193 HG21 VAL 23 3HG2 VAL 23 -0.618 -2.695 -4.077 194 HG22 VAL 23 1HG2 VAL 23 1.113 -3.011 -3.960 195 HG23 VAL 23 2HG2 VAL 23 0.324 -1.976 -2.772 196 H THR 24 H THR 24 -1.965 -5.318 -0.680 197 HA THR 24 HA THR 24 -1.015 -7.992 -0.458 198 HB THR 24 HB THR 24 -3.078 -6.551 1.227 199 HG1 THR 24 1HG THR 24 -1.442 -5.610 2.141 200 HG21 THR 24 3HG2 THR 24 -3.221 -8.852 1.752 201 HG22 THR 24 1HG2 THR 24 -2.111 -8.200 2.958 202 HG23 THR 24 2HG2 THR 24 -1.482 -9.087 1.570 203 H TYR 25 H TYR 25 -4.082 -6.556 -1.383 204 HA TYR 25 HA TYR 25 -5.678 -8.899 -1.197 205 HB2 TYR 25 2HB TYR 25 -6.801 -6.803 -1.362 206 HB3 TYR 25 1HB TYR 25 -5.935 -6.376 -2.838 207 HD1 TYR 25 1HD TYR 25 -6.356 -7.690 -4.950 208 HD2 TYR 25 2HD TYR 25 -8.774 -8.142 -1.429 209 HE1 TYR 25 1HE TYR 25 -8.128 -8.774 -6.305 210 HE2 TYR 25 2HE TYR 25 -10.545 -9.225 -2.784 211 HH TYR 25 HH TYR 25 -10.158 -10.571 -5.575 212 H CYS 26 H CYS 26 -3.889 -7.435 -3.906 213 HA CYS 26 HA CYS 26 -4.623 -9.315 -5.870 214 HB2 CYS 26 2HB CYS 26 -2.124 -7.630 -5.599 215 HB3 CYS 26 1HB CYS 26 -2.559 -8.539 -7.046 216 HG CYS 26 HG CYS 26 -4.926 -6.987 -6.693 217 H ILE 27 H ILE 27 -1.980 -9.272 -3.516 218 HA ILE 27 HA ILE 27 -0.658 -11.595 -4.502 219 HB ILE 27 HB ILE 27 -0.607 -10.145 -1.856 220 HG12 ILE 27 2HG1 ILE 27 1.606 -10.572 -3.870 221 HG13 ILE 27 1HG1 ILE 27 0.457 -9.243 -4.028 222 HG21 ILE 27 1HG2 ILE 27 1.515 -11.677 -1.587 223 HG22 ILE 27 2HG2 ILE 27 0.639 -12.753 -2.676 224 HG23 ILE 27 3HG2 ILE 27 -0.071 -12.297 -1.128 225 HD11 ILE 27 3HD1 ILE 27 2.162 -9.771 -1.576 226 HD12 ILE 27 1HD1 ILE 27 1.073 -8.405 -1.814 227 HD13 ILE 27 2HD1 ILE 27 2.520 -8.563 -2.809 228 H ASN 28 H ASN 28 -3.091 -11.050 -1.978 229 HA ASN 28 HA ASN 28 -3.194 -13.624 -0.897 230 HB2 ASN 28 2HB ASN 28 -5.415 -11.601 -1.280 231 HB3 ASN 28 1HB ASN 28 -5.535 -13.039 -0.268 232 HD21 ASN 28 1HD2 ASN 28 -5.836 -10.579 1.002 233 HD22 ASN 28 2HD2 ASN 28 -4.459 -10.236 1.936 234 H ALA 29 H ALA 29 -4.840 -12.261 -3.729 235 HA ALA 29 HA ALA 29 -6.412 -14.567 -4.292 236 HB1 ALA 29 1HB ALA 29 -5.587 -12.804 -6.532 237 HB2 ALA 29 2HB ALA 29 -6.454 -12.035 -5.204 238 HB3 ALA 29 3HB ALA 29 -7.192 -13.377 -6.077 239 H LYS 30 H LYS 30 -3.270 -13.410 -5.470 240 HA LYS 30 HA LYS 30 -2.789 -15.304 -7.444 241 HB2 LYS 30 2HB LYS 30 -0.844 -14.002 -5.532 242 HB3 LYS 30 1HB LYS 30 -0.372 -14.902 -6.973 243 HG2 LYS 30 2HG LYS 30 -2.425 -12.820 -7.419 244 HG3 LYS 30 1HG LYS 30 -0.835 -12.215 -6.952 245 HD2 LYS 30 2HD LYS 30 0.223 -13.397 -8.780 246 HD3 LYS 30 1HD LYS 30 -1.288 -14.212 -9.184 247 HE2 LYS 30 2HE LYS 30 -2.316 -11.992 -9.668 248 HE3 LYS 30 1HE LYS 30 -0.752 -11.233 -9.364 249 HZ1 LYS 30 3HZ LYS 30 -0.739 -11.535 -11.635 250 HZ2 LYS 30 1HZ LYS 30 -1.548 -13.026 -11.561 251 HZ3 LYS 30 2HZ LYS 30 0.084 -12.921 -11.099 252 H ALA 31 H ALA 31 -2.108 -15.495 -3.970 253 HA ALA 31 HA ALA 31 -0.908 -18.047 -4.003 254 HB1 ALA 31 1HB ALA 31 -1.575 -18.083 -1.557 255 HB2 ALA 31 2HB ALA 31 -2.334 -16.514 -1.837 256 HB3 ALA 31 3HB ALA 31 -0.596 -16.705 -2.064 257 H ASP 32 H ASP 32 -4.257 -17.020 -3.506 258 HA ASP 32 HA ASP 32 -5.369 -19.511 -2.891 259 HB2 ASP 32 2HB ASP 32 -6.522 -17.067 -4.226 260 HB3 ASP 32 1HB ASP 32 -7.495 -18.492 -3.866 261 H VAL 33 H VAL 33 -4.398 -18.126 -5.936 262 HA VAL 33 HA VAL 33 -5.705 -20.217 -7.482 263 HB VAL 33 HB VAL 33 -3.965 -17.878 -8.269 264 HG11 VAL 33 1HG1 VAL 33 -5.056 -20.194 -9.838 265 HG12 VAL 33 2HG1 VAL 33 -3.493 -19.388 -9.981 266 HG13 VAL 33 3HG1 VAL 33 -4.948 -18.609 -10.606 267 HG21 VAL 33 3HG2 VAL 33 -6.794 -18.308 -9.148 268 HG22 VAL 33 1HG2 VAL 33 -5.936 -16.799 -8.837 269 HG23 VAL 33 2HG2 VAL 33 -6.516 -17.778 -7.490 270 H LEU 34 H LEU 34 -2.431 -19.184 -6.654 271 HA LEU 34 HA LEU 34 -0.894 -20.864 -8.153 272 HB2 LEU 34 2HB LEU 34 -0.580 -19.874 -5.354 273 HB3 LEU 34 1HB LEU 34 0.622 -20.952 -6.048 274 HG LEU 34 HG LEU 34 -0.246 -18.567 -7.638 275 HD11 LEU 34 1HD1 LEU 34 1.946 -17.583 -6.400 276 HD12 LEU 34 2HD1 LEU 34 1.267 -18.528 -5.077 277 HD13 LEU 34 3HD1 LEU 34 0.306 -17.260 -5.840 278 HD21 LEU 34 3HD2 LEU 34 1.760 -18.911 -8.749 279 HD22 LEU 34 1HD2 LEU 34 1.422 -20.560 -8.223 280 HD23 LEU 34 2HD2 LEU 34 2.560 -19.563 -7.318 281 H PHE 35 H PHE 35 -2.749 -21.636 -5.293 282 HA PHE 35 HA PHE 35 -2.315 -24.516 -5.893 283 HB2 PHE 35 2HB PHE 35 -2.106 -23.169 -3.193 284 HB3 PHE 35 1HB PHE 35 -2.328 -24.908 -3.383 285 HD1 PHE 35 2HD PHE 35 -0.622 -26.242 -4.681 286 HD2 PHE 35 1HD PHE 35 0.021 -22.150 -3.542 287 HE1 PHE 35 2HE PHE 35 1.811 -26.515 -5.077 288 HE2 PHE 35 1HE PHE 35 2.454 -22.423 -3.939 289 HZ PHE 35 HZ PHE 35 3.349 -24.604 -4.706 290 H ILE 36 H ILE 36 -4.429 -23.993 -6.969 291 HA ILE 36 HA ILE 36 -6.798 -23.353 -6.569 292 HB ILE 36 HB ILE 36 -6.454 -26.309 -6.042 293 HG12 ILE 36 2HG1 ILE 36 -4.985 -25.796 -7.887 294 HG13 ILE 36 1HG1 ILE 36 -6.460 -26.472 -8.580 295 HG21 ILE 36 1HG2 ILE 36 -8.550 -26.452 -7.340 296 HG22 ILE 36 2HG2 ILE 36 -8.537 -24.701 -7.555 297 HG23 ILE 36 3HG2 ILE 36 -8.754 -25.391 -5.946 298 HD11 ILE 36 3HD1 ILE 36 -7.266 -24.027 -8.773 299 HD12 ILE 36 1HD1 ILE 36 -6.018 -24.553 -9.899 300 HD13 ILE 36 2HD1 ILE 36 -5.581 -23.585 -8.495 301 H ALA 37 H ALA 37 -6.423 -22.189 -4.476 302 HA ALA 37 HA ALA 37 -7.353 -23.792 -2.182 303 HB1 ALA 37 1HB ALA 37 -5.755 -22.750 -1.017 304 HB2 ALA 37 2HB ALA 37 -6.551 -21.208 -1.331 305 HB3 ALA 37 3HB ALA 37 -5.316 -21.806 -2.439 306 HA PRO 38 HA PRO 38 -11.303 -21.963 -1.671 307 HB2 PRO 38 2HB PRO 38 -10.282 -20.477 0.706 308 HB3 PRO 38 1HB PRO 38 -11.705 -21.524 0.554 309 HG2 PRO 38 2HG PRO 38 -9.385 -22.301 1.727 310 HG3 PRO 38 1HG PRO 38 -10.523 -23.410 0.960 311 HD2 PRO 38 2HD PRO 38 -7.840 -22.650 0.090 312 HD3 PRO 38 1HD PRO 38 -8.878 -23.972 -0.487 313 H ARG 39 H ARG 39 -12.272 -20.231 -2.601 314 HA ARG 39 HA ARG 39 -10.874 -17.634 -2.581 315 HB2 ARG 39 2HB ARG 39 -10.999 -17.357 -4.898 316 HB3 ARG 39 1HB ARG 39 -10.539 -19.052 -4.739 317 HG2 ARG 39 2HG ARG 39 -13.084 -19.535 -4.761 318 HG3 ARG 39 1HG ARG 39 -13.244 -17.897 -5.402 319 HD2 ARG 39 2HD ARG 39 -12.073 -20.328 -6.658 320 HD3 ARG 39 1HD ARG 39 -13.006 -19.024 -7.387 321 HE ARG 39 HE ARG 39 -10.359 -18.247 -6.486 322 HH11 ARG 39 1HH2 ARG 39 -12.328 -19.511 -9.036 323 HH12 ARG 39 2HH2 ARG 39 -11.245 -19.031 -10.297 324 HH21 ARG 39 1HH1 ARG 39 -8.932 -17.615 -8.136 325 HH22 ARG 39 2HH1 ARG 39 -9.321 -17.957 -9.790 326 H GLU 40 H GLU 40 -12.186 -15.934 -2.240 327 HA GLU 40 HA GLU 40 -15.095 -16.372 -2.471 328 HB2 GLU 40 2HB GLU 40 -14.733 -14.437 -0.490 329 HB3 GLU 40 1HB GLU 40 -15.231 -16.113 -0.249 330 HG2 GLU 40 2HG GLU 40 -12.901 -16.811 -0.025 331 HG3 GLU 40 1HG GLU 40 -12.351 -15.172 -0.373 332 HA PRO 41 HA PRO 41 -15.305 -12.698 -4.857 333 HB2 PRO 41 2HB PRO 41 -17.591 -11.514 -3.879 334 HB3 PRO 41 1HB PRO 41 -17.587 -12.912 -4.970 335 HG2 PRO 41 2HG PRO 41 -17.931 -12.822 -2.013 336 HG3 PRO 41 1HG PRO 41 -18.770 -13.815 -3.219 337 HD2 PRO 41 2HD PRO 41 -16.771 -14.809 -1.672 338 HD3 PRO 41 1HD PRO 41 -17.046 -15.369 -3.338 339 H GLY 42 H GLY 42 -13.900 -11.059 -4.604 340 HA2 GLY 42 2HA GLY 42 -12.715 -9.324 -3.655 341 HA3 GLY 42 1HA GLY 42 -14.293 -8.785 -3.092 342 H ALA 43 H ALA 43 -13.182 -11.888 -2.051 343 HA ALA 43 HA ALA 43 -12.783 -12.693 0.072 344 HB1 ALA 43 1HB ALA 43 -10.695 -11.077 -0.695 345 HB2 ALA 43 2HB ALA 43 -10.701 -12.119 0.730 346 HB3 ALA 43 3HB ALA 43 -11.124 -10.413 0.882 347 H VAL 44 H VAL 44 -14.977 -10.652 -0.316 348 HA VAL 44 HA VAL 44 -15.074 -9.202 2.188 349 HB VAL 44 HB VAL 44 -17.208 -9.618 0.080 350 HG11 VAL 44 1HG1 VAL 44 -18.564 -8.625 1.580 351 HG12 VAL 44 2HG1 VAL 44 -17.539 -7.193 1.480 352 HG13 VAL 44 3HG1 VAL 44 -17.228 -8.415 2.713 353 HG21 VAL 44 3HG2 VAL 44 -15.123 -7.464 0.521 354 HG22 VAL 44 1HG2 VAL 44 -16.538 -7.232 -0.506 355 HG23 VAL 44 2HG2 VAL 44 -15.346 -8.467 -0.913 356 H SER 45 H SER 45 -15.665 -10.092 4.051 357 HA SER 45 HA SER 45 -16.746 -12.717 4.250 358 HB2 SER 45 2HB SER 45 -17.075 -12.011 6.695 359 HB3 SER 45 1HB SER 45 -15.426 -12.003 6.074 360 HG SER 45 HG SER 45 -16.348 -10.059 7.260 361 H TYR 46 H TYR 46 -18.804 -13.404 4.807 362 HA TYR 46 HA TYR 46 -21.101 -13.391 4.740 363 HB2 TYR 46 2HB TYR 46 -20.269 -11.293 6.494 364 HB3 TYR 46 1HB TYR 46 -21.690 -10.745 5.603 365 HD1 TYR 46 2HD TYR 46 -23.819 -11.983 5.730 366 HD2 TYR 46 1HD TYR 46 -20.388 -13.173 8.025 367 HE1 TYR 46 2HE TYR 46 -25.264 -13.418 7.145 368 HE2 TYR 46 1HE TYR 46 -21.833 -14.608 9.440 369 HH TYR 46 HH TYR 46 -25.142 -14.355 9.537 Start of MODEL 2 1 H ALA 1 1HT ALA 1 -5.206 26.222 13.201 2 HA ALA 1 HA ALA 1 -3.353 27.336 11.189 3 HB1 ALA 1 2HB ALA 1 -2.096 26.775 13.727 4 HB2 ALA 1 3HB ALA 1 -3.366 27.979 13.941 5 HB3 ALA 1 1HB ALA 1 -2.065 28.265 12.785 6 H SER 2 H SER 2 -2.279 25.715 10.229 7 HA SER 2 HA SER 2 -1.315 23.646 9.878 8 HB2 SER 2 2HB SER 2 -0.555 22.471 11.675 9 HB3 SER 2 1HB SER 2 -1.022 23.926 12.550 10 HG SER 2 HG SER 2 -1.864 21.671 13.169 11 H LYS 3 H LYS 3 -4.471 24.331 10.425 12 HA LYS 3 HA LYS 3 -5.735 21.815 10.556 13 HB2 LYS 3 2HB LYS 3 -6.517 24.572 9.787 14 HB3 LYS 3 1HB LYS 3 -7.533 23.272 9.167 15 HG2 LYS 3 2HG LYS 3 -8.368 24.051 11.346 16 HG3 LYS 3 1HG LYS 3 -7.793 22.388 11.470 17 HD2 LYS 3 2HD LYS 3 -5.730 23.094 12.494 18 HD3 LYS 3 1HD LYS 3 -6.069 24.787 12.140 19 HE2 LYS 3 2HE LYS 3 -6.532 24.128 14.526 20 HE3 LYS 3 1HE LYS 3 -7.927 24.805 13.685 21 HZ1 LYS 3 3HZ LYS 3 -8.533 22.439 13.144 22 HZ2 LYS 3 1HZ LYS 3 -8.686 22.882 14.774 23 HZ3 LYS 3 2HZ LYS 3 -7.355 21.958 14.267 24 H GLU 4 H GLU 4 -4.839 23.819 7.758 25 HA GLU 4 HA GLU 4 -5.841 22.096 5.772 26 HB2 GLU 4 2HB GLU 4 -4.713 24.557 5.743 27 HB3 GLU 4 1HB GLU 4 -3.363 23.591 5.147 28 HG2 GLU 4 2HG GLU 4 -4.842 22.594 3.431 29 HG3 GLU 4 1HG GLU 4 -6.174 23.594 4.010 30 H LEU 5 H LEU 5 -2.703 22.232 7.402 31 HA LEU 5 HA LEU 5 -1.381 20.301 5.820 32 HB2 LEU 5 2HB LEU 5 -0.988 21.372 8.597 33 HB3 LEU 5 1HB LEU 5 -0.029 20.001 8.037 34 HG LEU 5 HG LEU 5 0.737 21.303 6.101 35 HD11 LEU 5 1HD1 LEU 5 0.190 23.811 6.164 36 HD12 LEU 5 2HD1 LEU 5 -1.107 23.388 7.281 37 HD13 LEU 5 3HD1 LEU 5 -1.108 22.738 5.643 38 HD21 LEU 5 3HD2 LEU 5 1.932 21.435 8.320 39 HD22 LEU 5 1HD2 LEU 5 1.047 22.926 8.645 40 HD23 LEU 5 2HD2 LEU 5 2.175 22.846 7.291 41 H GLU 6 H GLU 6 -3.316 20.019 8.780 42 HA GLU 6 HA GLU 6 -2.912 17.255 9.198 43 HB2 GLU 6 2HB GLU 6 -5.021 19.218 10.048 44 HB3 GLU 6 1HB GLU 6 -5.207 17.501 10.404 45 HG2 GLU 6 2HG GLU 6 -2.659 18.981 11.068 46 HG3 GLU 6 1HG GLU 6 -4.024 18.960 12.183 47 H LEU 7 H LEU 7 -5.434 19.039 7.441 48 HA LEU 7 HA LEU 7 -7.030 16.833 6.740 49 HB2 LEU 7 2HB LEU 7 -6.593 19.538 5.488 50 HB3 LEU 7 1HB LEU 7 -7.689 18.357 4.771 51 HG LEU 7 HG LEU 7 -7.965 18.855 7.696 52 HD11 LEU 7 1HD1 LEU 7 -9.497 20.808 7.127 53 HD12 LEU 7 2HD1 LEU 7 -8.738 20.830 5.536 54 HD13 LEU 7 3HD1 LEU 7 -7.771 21.134 6.979 55 HD21 LEU 7 3HD2 LEU 7 -10.044 18.661 5.501 56 HD22 LEU 7 1HD2 LEU 7 -10.270 18.387 7.229 57 HD23 LEU 7 2HD2 LEU 7 -9.336 17.240 6.270 58 H ILE 8 H ILE 8 -4.367 18.408 4.978 59 HA ILE 8 HA ILE 8 -4.437 16.760 2.705 60 HB ILE 8 HB ILE 8 -2.125 18.230 3.990 61 HG12 ILE 8 2HG1 ILE 8 -4.302 19.381 3.007 62 HG13 ILE 8 1HG1 ILE 8 -2.706 20.046 2.661 63 HG21 ILE 8 1HG2 ILE 8 -1.091 16.630 2.598 64 HG22 ILE 8 2HG2 ILE 8 -1.228 18.054 1.566 65 HG23 ILE 8 3HG2 ILE 8 -2.371 16.723 1.389 66 HD11 ILE 8 3HD1 ILE 8 -3.961 17.989 0.844 67 HD12 ILE 8 1HD1 ILE 8 -2.665 19.126 0.484 68 HD13 ILE 8 2HD1 ILE 8 -4.319 19.705 0.665 69 H THR 9 H THR 9 -2.579 16.475 5.699 70 HA THR 9 HA THR 9 -1.101 14.187 5.051 71 HB THR 9 HB THR 9 -2.191 14.973 7.765 72 HG1 THR 9 1HG THR 9 -0.209 16.037 7.948 73 HG21 THR 9 3HG2 THR 9 -1.183 13.096 8.482 74 HG22 THR 9 1HG2 THR 9 0.352 13.750 7.916 75 HG23 THR 9 2HG2 THR 9 -0.618 12.734 6.852 76 H LEU 10 H LEU 10 -4.292 14.467 6.609 77 HA LEU 10 HA LEU 10 -4.761 11.746 7.044 78 HB2 LEU 10 2HB LEU 10 -6.364 14.199 6.930 79 HB3 LEU 10 1HB LEU 10 -7.258 12.752 6.465 80 HG LEU 10 HG LEU 10 -6.544 11.635 8.548 81 HD11 LEU 10 1HD1 LEU 10 -5.617 13.800 10.100 82 HD12 LEU 10 2HD1 LEU 10 -4.698 13.866 8.597 83 HD13 LEU 10 3HD1 LEU 10 -4.688 12.398 9.573 84 HD21 LEU 10 3HD2 LEU 10 -7.526 14.197 9.645 85 HD22 LEU 10 1HD2 LEU 10 -8.240 12.587 9.735 86 HD23 LEU 10 2HD2 LEU 10 -8.466 13.572 8.290 87 H THR 11 H THR 11 -5.391 13.752 4.193 88 HA THR 11 HA THR 11 -6.727 11.759 2.682 89 HB THR 11 HB THR 11 -5.166 14.201 1.812 90 HG1 THR 11 1HG THR 11 -7.400 14.892 1.459 91 HG21 THR 11 3HG2 THR 11 -5.211 12.836 -0.108 92 HG22 THR 11 1HG2 THR 11 -6.644 13.847 -0.286 93 HG23 THR 11 2HG2 THR 11 -6.802 12.186 0.284 94 H VAL 12 H VAL 12 -3.324 12.735 2.897 95 HA VAL 12 HA VAL 12 -2.292 11.123 0.855 96 HB VAL 12 HB VAL 12 -1.012 11.951 3.471 97 HG11 VAL 12 1HG1 VAL 12 0.431 10.295 2.717 98 HG12 VAL 12 2HG1 VAL 12 1.064 11.690 1.841 99 HG13 VAL 12 3HG1 VAL 12 -0.001 10.544 1.024 100 HG21 VAL 12 3HG2 VAL 12 -0.204 13.241 0.957 101 HG22 VAL 12 1HG2 VAL 12 -0.627 13.969 2.506 102 HG23 VAL 12 2HG2 VAL 12 -1.898 13.520 1.368 103 H GLY 13 H GLY 13 -2.698 10.413 4.323 104 HA2 GLY 13 2HA GLY 13 -1.644 7.809 4.291 105 HA3 GLY 13 1HA GLY 13 -2.804 8.420 5.467 106 H PHE 14 H PHE 14 -4.914 9.012 3.661 107 HA PHE 14 HA PHE 14 -6.186 6.485 3.510 108 HB2 PHE 14 2HB PHE 14 -7.465 8.546 3.772 109 HB3 PHE 14 1HB PHE 14 -6.909 9.116 2.199 110 HD1 PHE 14 1HD PHE 14 -8.565 6.120 3.743 111 HD2 PHE 14 2HD PHE 14 -8.262 8.719 0.336 112 HE1 PHE 14 1HE PHE 14 -10.423 4.899 2.647 113 HE2 PHE 14 2HE PHE 14 -10.120 7.498 -0.761 114 HZ PHE 14 HZ PHE 14 -11.201 5.587 0.394 115 H GLY 15 H GLY 15 -4.586 8.518 1.098 116 HA2 GLY 15 2HA GLY 15 -5.293 6.996 -1.182 117 HA3 GLY 15 1HA GLY 15 -3.926 8.099 -1.068 118 H ILE 16 H ILE 16 -2.485 6.880 0.984 119 HA ILE 16 HA ILE 16 -1.082 4.863 -0.446 120 HB ILE 16 HB ILE 16 -0.931 5.687 2.463 121 HG12 ILE 16 2HG1 ILE 16 1.030 6.325 0.256 122 HG13 ILE 16 1HG1 ILE 16 -0.386 7.343 0.522 123 HG21 ILE 16 1HG2 ILE 16 0.313 3.808 2.676 124 HG22 ILE 16 2HG2 ILE 16 1.520 4.641 1.696 125 HG23 ILE 16 3HG2 ILE 16 0.366 3.547 0.932 126 HD11 ILE 16 3HD1 ILE 16 1.462 8.279 1.783 127 HD12 ILE 16 1HD1 ILE 16 1.808 6.715 2.519 128 HD13 ILE 16 2HD1 ILE 16 0.324 7.575 2.931 129 H LEU 17 H LEU 17 -3.526 4.817 2.083 130 HA LEU 17 HA LEU 17 -3.295 2.094 2.801 131 HB2 LEU 17 2HB LEU 17 -4.693 4.126 3.823 132 HB3 LEU 17 1HB LEU 17 -5.970 3.406 2.843 133 HG LEU 17 HG LEU 17 -5.097 1.157 3.941 134 HD11 LEU 17 1HD1 LEU 17 -4.048 1.366 6.022 135 HD12 LEU 17 2HD1 LEU 17 -4.561 3.042 6.222 136 HD13 LEU 17 3HD1 LEU 17 -3.264 2.644 5.094 137 HD21 LEU 17 3HD2 LEU 17 -6.631 1.879 6.003 138 HD22 LEU 17 1HD2 LEU 17 -7.315 1.624 4.398 139 HD23 LEU 17 2HD2 LEU 17 -6.966 3.259 4.959 140 H ILE 18 H ILE 18 -5.162 3.765 0.305 141 HA ILE 18 HA ILE 18 -6.707 1.546 -0.541 142 HB ILE 18 HB ILE 18 -5.777 4.006 -2.025 143 HG12 ILE 18 2HG1 ILE 18 -8.557 3.367 -1.040 144 HG13 ILE 18 1HG1 ILE 18 -7.367 4.093 0.039 145 HG21 ILE 18 1HG2 ILE 18 -8.034 3.165 -3.305 146 HG22 ILE 18 2HG2 ILE 18 -7.299 1.618 -2.887 147 HG23 ILE 18 3HG2 ILE 18 -6.403 2.788 -3.854 148 HD11 ILE 18 3HD1 ILE 18 -9.010 5.506 -1.652 149 HD12 ILE 18 1HD1 ILE 18 -7.523 5.395 -2.595 150 HD13 ILE 18 2HD1 ILE 18 -7.495 6.111 -0.983 151 H PHE 19 H PHE 19 -3.680 2.907 -1.833 152 HA PHE 19 HA PHE 19 -3.259 1.022 -3.867 153 HB2 PHE 19 2HB PHE 19 -1.832 3.181 -2.743 154 HB3 PHE 19 1HB PHE 19 -0.752 1.789 -2.677 155 HD1 PHE 19 2HD PHE 19 -0.592 0.330 -4.835 156 HD2 PHE 19 1HD PHE 19 -2.103 4.351 -4.759 157 HE1 PHE 19 2HE PHE 19 -0.179 0.532 -7.272 158 HE2 PHE 19 1HE PHE 19 -1.691 4.551 -7.196 159 HZ PHE 19 HZ PHE 19 -0.728 2.643 -8.453 160 H SER 20 H SER 20 -2.062 1.020 -0.508 161 HA SER 20 HA SER 20 -0.649 -1.398 -0.626 162 HB2 SER 20 2HB SER 20 -2.077 -0.111 1.710 163 HB3 SER 20 1HB SER 20 -0.932 -1.442 1.844 164 HG SER 20 HG SER 20 0.479 0.079 0.559 165 H LEU 21 H LEU 21 -4.054 -0.735 0.065 166 HA LEU 21 HA LEU 21 -4.791 -3.326 0.858 167 HB2 LEU 21 2HB LEU 21 -6.218 -1.300 1.134 168 HB3 LEU 21 1HB LEU 21 -6.483 -1.279 -0.606 169 HG LEU 21 HG LEU 21 -7.458 -3.571 -0.466 170 HD11 LEU 21 1HD1 LEU 21 -6.683 -4.685 1.384 171 HD12 LEU 21 2HD1 LEU 21 -8.151 -4.023 2.101 172 HD13 LEU 21 3HD1 LEU 21 -6.603 -3.223 2.365 173 HD21 LEU 21 3HD2 LEU 21 -9.221 -2.433 1.468 174 HD22 LEU 21 1HD2 LEU 21 -9.407 -2.476 -0.286 175 HD23 LEU 21 2HD2 LEU 21 -8.581 -1.120 0.478 176 H ILE 22 H ILE 22 -4.978 -1.761 -2.337 177 HA ILE 22 HA ILE 22 -5.970 -4.000 -3.733 178 HB ILE 22 HB ILE 22 -4.256 -1.720 -4.751 179 HG12 ILE 22 2HG1 ILE 22 -7.241 -1.987 -5.043 180 HG13 ILE 22 1HG1 ILE 22 -6.559 -1.310 -3.563 181 HG21 ILE 22 1HG2 ILE 22 -5.512 -2.334 -6.913 182 HG22 ILE 22 2HG2 ILE 22 -5.900 -3.859 -6.115 183 HG23 ILE 22 3HG2 ILE 22 -4.217 -3.421 -6.412 184 HD11 ILE 22 3HD1 ILE 22 -7.148 0.323 -5.502 185 HD12 ILE 22 1HD1 ILE 22 -5.680 -0.295 -6.260 186 HD13 ILE 22 2HD1 ILE 22 -5.592 0.512 -4.695 187 H VAL 23 H VAL 23 -2.772 -3.138 -2.689 188 HA VAL 23 HA VAL 23 -1.362 -4.950 -4.409 189 HB VAL 23 HB VAL 23 -0.516 -3.571 -1.849 190 HG11 VAL 23 1HG1 VAL 23 1.794 -4.083 -3.041 191 HG12 VAL 23 2HG1 VAL 23 0.878 -5.402 -3.769 192 HG13 VAL 23 3HG1 VAL 23 1.029 -5.297 -2.015 193 HG21 VAL 23 3HG2 VAL 23 -1.060 -2.486 -4.336 194 HG22 VAL 23 1HG2 VAL 23 0.676 -2.790 -4.421 195 HG23 VAL 23 2HG2 VAL 23 0.019 -1.776 -3.135 196 H THR 24 H THR 24 -2.222 -4.976 -0.951 197 HA THR 24 HA THR 24 -1.218 -7.549 -0.387 198 HB THR 24 HB THR 24 -3.511 -6.075 0.934 199 HG1 THR 24 1HG THR 24 -1.283 -6.064 2.340 200 HG21 THR 24 3HG2 THR 24 -1.812 -8.436 1.768 201 HG22 THR 24 1HG2 THR 24 -3.566 -8.383 1.592 202 HG23 THR 24 2HG2 THR 24 -2.784 -7.499 2.903 203 H TYR 25 H TYR 25 -4.223 -6.429 -1.793 204 HA TYR 25 HA TYR 25 -5.700 -8.849 -1.487 205 HB2 TYR 25 2HB TYR 25 -6.879 -6.810 -1.983 206 HB3 TYR 25 1HB TYR 25 -5.952 -6.576 -3.466 207 HD1 TYR 25 1HD TYR 25 -8.347 -8.903 -1.789 208 HD2 TYR 25 2HD TYR 25 -6.651 -7.555 -5.499 209 HE1 TYR 25 1HE TYR 25 -10.000 -10.264 -3.041 210 HE2 TYR 25 2HE TYR 25 -8.304 -8.916 -6.750 211 HH TYR 25 HH TYR 25 -9.842 -11.333 -5.728 212 H CYS 26 H CYS 26 -3.901 -7.513 -4.265 213 HA CYS 26 HA CYS 26 -4.280 -9.638 -6.033 214 HB2 CYS 26 2HB CYS 26 -1.998 -7.687 -5.715 215 HB3 CYS 26 1HB CYS 26 -2.075 -8.856 -7.032 216 HG CYS 26 HG CYS 26 -3.805 -7.474 -8.153 217 H ILE 27 H ILE 27 -1.966 -9.235 -3.406 218 HA ILE 27 HA ILE 27 -0.370 -11.499 -4.048 219 HB ILE 27 HB ILE 27 -0.780 -10.091 -1.397 220 HG12 ILE 27 2HG1 ILE 27 0.145 -8.865 -3.551 221 HG13 ILE 27 1HG1 ILE 27 0.942 -8.644 -1.996 222 HG21 ILE 27 1HG2 ILE 27 1.603 -11.078 -1.059 223 HG22 ILE 27 2HG2 ILE 27 1.163 -12.186 -2.359 224 HG23 ILE 27 3HG2 ILE 27 0.222 -12.159 -0.869 225 HD11 ILE 27 3HD1 ILE 27 2.712 -10.090 -2.555 226 HD12 ILE 27 1HD1 ILE 27 2.418 -9.214 -4.055 227 HD13 ILE 27 2HD1 ILE 27 1.804 -10.854 -3.858 228 H ASN 28 H ASN 28 -2.984 -10.991 -1.689 229 HA ASN 28 HA ASN 28 -3.049 -13.552 -0.591 230 HB2 ASN 28 2HB ASN 28 -5.143 -11.438 -1.004 231 HB3 ASN 28 1HB ASN 28 -5.576 -13.001 -0.315 232 HD21 ASN 28 1HD2 ASN 28 -5.561 -12.914 1.929 233 HD22 ASN 28 2HD2 ASN 28 -4.474 -12.006 2.863 234 H ALA 29 H ALA 29 -4.527 -12.306 -3.551 235 HA ALA 29 HA ALA 29 -6.068 -14.607 -4.164 236 HB1 ALA 29 1HB ALA 29 -5.813 -13.636 -6.570 237 HB2 ALA 29 2HB ALA 29 -5.027 -12.282 -5.758 238 HB3 ALA 29 3HB ALA 29 -6.693 -12.702 -5.362 239 H LYS 30 H LYS 30 -2.824 -13.565 -5.192 240 HA LYS 30 HA LYS 30 -2.283 -15.750 -6.883 241 HB2 LYS 30 2HB LYS 30 -0.501 -13.865 -5.345 242 HB3 LYS 30 1HB LYS 30 0.150 -15.135 -6.382 243 HG2 LYS 30 2HG LYS 30 -0.757 -14.187 -8.330 244 HG3 LYS 30 1HG LYS 30 -1.939 -13.236 -7.430 245 HD2 LYS 30 2HD LYS 30 -0.113 -11.851 -6.501 246 HD3 LYS 30 1HD LYS 30 1.062 -12.791 -7.420 247 HE2 LYS 30 2HE LYS 30 -0.568 -12.131 -9.439 248 HE3 LYS 30 1HE LYS 30 -0.912 -10.768 -8.374 249 HZ1 LYS 30 3HZ LYS 30 1.845 -11.181 -8.375 250 HZ2 LYS 30 1HZ LYS 30 0.988 -9.858 -8.999 251 HZ3 LYS 30 2HZ LYS 30 1.336 -11.190 -9.995 252 H ALA 31 H ALA 31 -2.185 -15.401 -3.430 253 HA ALA 31 HA ALA 31 -0.658 -17.840 -3.025 254 HB1 ALA 31 1HB ALA 31 -2.094 -16.715 -0.721 255 HB2 ALA 31 2HB ALA 31 -1.002 -15.580 -1.515 256 HB3 ALA 31 3HB ALA 31 -0.385 -17.113 -0.902 257 H ASP 32 H ASP 32 -3.997 -16.731 -2.689 258 HA ASP 32 HA ASP 32 -5.090 -19.017 -1.499 259 HB2 ASP 32 2HB ASP 32 -6.329 -17.042 -3.426 260 HB3 ASP 32 1HB ASP 32 -7.238 -18.255 -2.527 261 H VAL 33 H VAL 33 -4.109 -18.382 -4.778 262 HA VAL 33 HA VAL 33 -5.557 -20.392 -6.110 263 HB VAL 33 HB VAL 33 -2.813 -19.265 -6.704 264 HG11 VAL 33 1HG1 VAL 33 -4.613 -21.179 -8.152 265 HG12 VAL 33 2HG1 VAL 33 -2.854 -21.182 -8.021 266 HG13 VAL 33 3HG1 VAL 33 -3.658 -20.034 -9.092 267 HG21 VAL 33 3HG2 VAL 33 -4.951 -18.476 -8.476 268 HG22 VAL 33 1HG2 VAL 33 -3.913 -17.457 -7.477 269 HG23 VAL 33 2HG2 VAL 33 -5.402 -18.124 -6.807 270 H LEU 34 H LEU 34 -2.967 -20.595 -3.881 271 HA LEU 34 HA LEU 34 -2.209 -23.293 -4.732 272 HB2 LEU 34 2HB LEU 34 -1.094 -21.312 -2.769 273 HB3 LEU 34 1HB LEU 34 -0.631 -23.012 -2.696 274 HG LEU 34 HG LEU 34 0.151 -22.946 -5.004 275 HD11 LEU 34 1HD1 LEU 34 -1.044 -20.177 -4.909 276 HD12 LEU 34 2HD1 LEU 34 -1.328 -21.456 -6.088 277 HD13 LEU 34 3HD1 LEU 34 0.207 -20.589 -6.081 278 HD21 LEU 34 3HD2 LEU 34 1.444 -21.842 -2.917 279 HD22 LEU 34 1HD2 LEU 34 1.322 -20.414 -3.946 280 HD23 LEU 34 2HD2 LEU 34 2.132 -21.865 -4.539 281 H PHE 35 H PHE 35 -4.780 -22.282 -3.274 282 HA PHE 35 HA PHE 35 -4.739 -24.328 -1.135 283 HB2 PHE 35 2HB PHE 35 -6.148 -21.670 -1.304 284 HB3 PHE 35 1HB PHE 35 -6.681 -22.937 -0.199 285 HD1 PHE 35 1HD PHE 35 -3.498 -21.255 -1.274 286 HD2 PHE 35 2HD PHE 35 -5.775 -22.952 1.950 287 HE1 PHE 35 1HE PHE 35 -1.716 -20.610 0.325 288 HE2 PHE 35 2HE PHE 35 -3.995 -22.307 3.549 289 HZ PHE 35 HZ PHE 35 -1.965 -21.136 2.737 290 H ILE 36 H ILE 36 -5.322 -25.893 -2.787 291 HA ILE 36 HA ILE 36 -6.780 -26.998 -4.218 292 HB ILE 36 HB ILE 36 -8.591 -26.386 -1.866 293 HG12 ILE 36 2HG1 ILE 36 -7.710 -28.648 -1.095 294 HG13 ILE 36 1HG1 ILE 36 -6.483 -28.517 -2.347 295 HG21 ILE 36 1HG2 ILE 36 -10.087 -27.571 -3.040 296 HG22 ILE 36 2HG2 ILE 36 -9.030 -28.967 -2.846 297 HG23 ILE 36 3HG2 ILE 36 -8.903 -27.959 -4.286 298 HD11 ILE 36 3HD1 ILE 36 -5.298 -26.940 -1.203 299 HD12 ILE 36 1HD1 ILE 36 -6.136 -27.613 0.193 300 HD13 ILE 36 2HD1 ILE 36 -6.742 -26.148 -0.578 301 H ALA 37 H ALA 37 -6.678 -24.099 -4.628 302 HA ALA 37 HA ALA 37 -9.063 -22.799 -4.908 303 HB1 ALA 37 1HB ALA 37 -7.699 -21.322 -5.890 304 HB2 ALA 37 2HB ALA 37 -7.657 -22.335 -7.334 305 HB3 ALA 37 3HB ALA 37 -6.458 -22.563 -6.062 306 HA PRO 38 HA PRO 38 -11.528 -24.947 -7.858 307 HB2 PRO 38 2HB PRO 38 -12.663 -22.902 -9.285 308 HB3 PRO 38 1HB PRO 38 -13.132 -23.314 -7.624 309 HG2 PRO 38 2HG PRO 38 -11.354 -21.140 -8.606 310 HG3 PRO 38 1HG PRO 38 -12.544 -21.122 -7.295 311 HD2 PRO 38 2HD PRO 38 -9.855 -21.348 -6.857 312 HD3 PRO 38 1HD PRO 38 -11.081 -22.032 -5.768 313 H ARG 39 H ARG 39 -11.665 -25.637 -10.044 314 HA ARG 39 HA ARG 39 -9.268 -25.132 -11.599 315 HB2 ARG 39 2HB ARG 39 -11.623 -26.990 -11.917 316 HB3 ARG 39 1HB ARG 39 -10.387 -26.818 -13.167 317 HG2 ARG 39 2HG ARG 39 -8.643 -27.453 -11.568 318 HG3 ARG 39 1HG ARG 39 -9.841 -27.563 -10.278 319 HD2 ARG 39 2HD ARG 39 -10.335 -29.669 -10.880 320 HD3 ARG 39 1HD ARG 39 -10.742 -29.128 -12.505 321 HE ARG 39 HE ARG 39 -8.039 -29.219 -12.590 322 HH11 ARG 39 1HH2 ARG 39 -10.468 -31.415 -11.472 323 HH12 ARG 39 2HH2 ARG 39 -9.550 -32.836 -11.842 324 HH21 ARG 39 1HH1 ARG 39 -6.829 -31.079 -13.077 325 HH22 ARG 39 2HH1 ARG 39 -7.489 -32.645 -12.750 326 H GLU 40 H GLU 40 -9.348 -24.580 -13.878 327 HA GLU 40 HA GLU 40 -11.586 -22.756 -14.494 328 HB2 GLU 40 2HB GLU 40 -9.424 -22.016 -16.099 329 HB3 GLU 40 1HB GLU 40 -10.015 -21.166 -14.671 330 HG2 GLU 40 2HG GLU 40 -8.042 -23.458 -14.528 331 HG3 GLU 40 1HG GLU 40 -7.551 -21.770 -14.619 332 HA PRO 41 HA PRO 41 -12.796 -24.704 -18.231 333 HB2 PRO 41 2HB PRO 41 -11.537 -22.442 -19.729 334 HB3 PRO 41 1HB PRO 41 -13.162 -23.131 -19.884 335 HG2 PRO 41 2HG PRO 41 -12.637 -20.814 -18.578 336 HG3 PRO 41 1HG PRO 41 -14.000 -21.876 -18.192 337 HD2 PRO 41 2HD PRO 41 -11.606 -21.325 -16.610 338 HD3 PRO 41 1HD PRO 41 -13.105 -22.145 -16.129 339 H GLY 42 H GLY 42 -11.915 -26.238 -19.554 340 HA2 GLY 42 2HA GLY 42 -10.259 -27.059 -21.078 341 HA3 GLY 42 1HA GLY 42 -9.072 -26.021 -20.293 342 H ALA 43 H ALA 43 -9.643 -26.647 -17.607 343 HA ALA 43 HA ALA 43 -8.241 -29.164 -17.385 344 HB1 ALA 43 1HB ALA 43 -9.068 -28.346 -14.829 345 HB2 ALA 43 2HB ALA 43 -8.732 -26.857 -15.714 346 HB3 ALA 43 3HB ALA 43 -7.485 -28.096 -15.566 347 H VAL 44 H VAL 44 -11.461 -28.288 -17.652 348 HA VAL 44 HA VAL 44 -13.436 -29.401 -17.353 349 HB VAL 44 HB VAL 44 -11.658 -31.834 -17.028 350 HG11 VAL 44 1HG1 VAL 44 -14.588 -31.394 -17.332 351 HG12 VAL 44 2HG1 VAL 44 -13.717 -32.684 -16.502 352 HG13 VAL 44 3HG1 VAL 44 -13.878 -32.716 -18.257 353 HG21 VAL 44 3HG2 VAL 44 -12.546 -30.240 -19.398 354 HG22 VAL 44 1HG2 VAL 44 -12.456 -31.994 -19.560 355 HG23 VAL 44 2HG2 VAL 44 -11.018 -31.074 -19.119 356 H SER 45 H SER 45 -14.821 -30.305 -15.736 357 HA SER 45 HA SER 45 -15.566 -30.565 -13.580 358 HB2 SER 45 2HB SER 45 -13.111 -32.053 -13.766 359 HB3 SER 45 1HB SER 45 -13.244 -31.335 -12.163 360 HG SER 45 HG SER 45 -14.388 -33.178 -12.019 361 H TYR 46 H TYR 46 -15.409 -29.667 -11.397 362 HA TYR 46 HA TYR 46 -13.968 -27.096 -11.427 363 HB2 TYR 46 2HB TYR 46 -15.585 -26.360 -9.757 364 HB3 TYR 46 1HB TYR 46 -16.431 -27.015 -11.159 365 HD1 TYR 46 1HD TYR 46 -17.320 -29.375 -11.083 366 HD2 TYR 46 2HD TYR 46 -15.789 -27.370 -7.606 367 HE1 TYR 46 1HE TYR 46 -18.453 -31.033 -9.628 368 HE2 TYR 46 2HE TYR 46 -16.921 -29.028 -6.152 369 HH TYR 46 HH TYR 46 -17.997 -31.006 -6.111 Start of MODEL 3 1 H ALA 1 1HT ALA 1 2.867 23.783 12.119 2 HA ALA 1 HA ALA 1 1.958 22.287 10.526 3 HB1 ALA 1 2HB ALA 1 0.760 20.385 11.073 4 HB2 ALA 1 3HB ALA 1 0.148 21.075 12.576 5 HB3 ALA 1 1HB ALA 1 1.809 20.491 12.486 6 H SER 2 H SER 2 -0.535 22.166 9.962 7 HA SER 2 HA SER 2 -2.056 24.314 11.240 8 HB2 SER 2 2HB SER 2 -2.242 25.683 9.364 9 HB3 SER 2 1HB SER 2 -0.556 25.178 9.279 10 HG SER 2 HG SER 2 -2.778 24.309 7.784 11 H LYS 3 H LYS 3 -4.299 24.389 10.482 12 HA LYS 3 HA LYS 3 -5.542 21.907 10.454 13 HB2 LYS 3 2HB LYS 3 -6.361 24.587 10.422 14 HB3 LYS 3 1HB LYS 3 -7.116 23.858 9.005 15 HG2 LYS 3 2HG LYS 3 -7.885 21.967 10.493 16 HG3 LYS 3 1HG LYS 3 -7.307 22.902 11.871 17 HD2 LYS 3 2HD LYS 3 -8.775 24.812 10.718 18 HD3 LYS 3 1HD LYS 3 -9.638 23.415 10.077 19 HE2 LYS 3 2HE LYS 3 -10.671 24.067 12.179 20 HE3 LYS 3 1HE LYS 3 -9.836 22.530 12.411 21 HZ1 LYS 3 3HZ LYS 3 -9.153 25.192 13.415 22 HZ2 LYS 3 1HZ LYS 3 -7.878 24.137 13.045 23 HZ3 LYS 3 2HZ LYS 3 -9.051 23.682 14.188 24 H GLU 4 H GLU 4 -4.478 23.918 7.755 25 HA GLU 4 HA GLU 4 -5.700 22.403 5.691 26 HB2 GLU 4 2HB GLU 4 -3.727 24.568 5.897 27 HB3 GLU 4 1HB GLU 4 -3.477 23.500 4.516 28 HG2 GLU 4 2HG GLU 4 -5.703 23.878 3.708 29 HG3 GLU 4 1HG GLU 4 -6.172 24.694 5.198 30 H LEU 5 H LEU 5 -2.352 22.426 6.925 31 HA LEU 5 HA LEU 5 -1.367 20.351 5.321 32 HB2 LEU 5 2HB LEU 5 -0.561 21.185 8.117 33 HB3 LEU 5 1HB LEU 5 0.372 20.096 7.089 34 HG LEU 5 HG LEU 5 -0.451 22.729 5.939 35 HD11 LEU 5 1HD1 LEU 5 0.398 23.317 8.186 36 HD12 LEU 5 2HD1 LEU 5 1.528 23.821 6.931 37 HD13 LEU 5 3HD1 LEU 5 1.855 22.372 7.881 38 HD21 LEU 5 3HD2 LEU 5 2.217 21.321 5.794 39 HD22 LEU 5 1HD2 LEU 5 1.499 22.434 4.630 40 HD23 LEU 5 2HD2 LEU 5 0.859 20.799 4.797 41 H GLU 6 H GLU 6 -3.142 20.289 8.357 42 HA GLU 6 HA GLU 6 -2.756 17.569 8.999 43 HB2 GLU 6 2HB GLU 6 -5.092 19.394 9.613 44 HB3 GLU 6 1HB GLU 6 -4.803 17.828 10.374 45 HG2 GLU 6 2HG GLU 6 -2.440 19.546 10.433 46 HG3 GLU 6 1HG GLU 6 -3.816 20.271 11.261 47 H LEU 7 H LEU 7 -5.358 19.193 7.187 48 HA LEU 7 HA LEU 7 -6.883 16.896 6.645 49 HB2 LEU 7 2HB LEU 7 -6.574 19.443 5.038 50 HB3 LEU 7 1HB LEU 7 -7.839 18.239 4.780 51 HG LEU 7 HG LEU 7 -7.438 19.374 7.530 52 HD11 LEU 7 1HD1 LEU 7 -7.694 21.454 6.589 53 HD12 LEU 7 2HD1 LEU 7 -9.392 20.983 6.615 54 HD13 LEU 7 3HD1 LEU 7 -8.456 20.816 5.131 55 HD21 LEU 7 3HD2 LEU 7 -9.120 17.479 6.564 56 HD22 LEU 7 1HD2 LEU 7 -10.105 18.916 6.294 57 HD23 LEU 7 2HD2 LEU 7 -9.538 18.529 7.917 58 H ILE 8 H ILE 8 -4.307 18.466 4.770 59 HA ILE 8 HA ILE 8 -4.383 16.754 2.539 60 HB ILE 8 HB ILE 8 -2.069 18.288 3.745 61 HG12 ILE 8 2HG1 ILE 8 -3.793 18.927 1.335 62 HG13 ILE 8 1HG1 ILE 8 -4.126 19.555 2.949 63 HG21 ILE 8 1HG2 ILE 8 -1.295 18.071 1.249 64 HG22 ILE 8 2HG2 ILE 8 -2.368 16.672 1.223 65 HG23 ILE 8 3HG2 ILE 8 -1.014 16.723 2.352 66 HD11 ILE 8 3HD1 ILE 8 -2.465 20.749 1.092 67 HD12 ILE 8 1HD1 ILE 8 -1.329 19.896 2.135 68 HD13 ILE 8 2HD1 ILE 8 -2.448 21.071 2.826 69 H THR 9 H THR 9 -2.674 16.513 5.627 70 HA THR 9 HA THR 9 -1.076 14.273 5.014 71 HB THR 9 HB THR 9 -2.219 15.220 7.651 72 HG1 THR 9 1HG THR 9 -0.774 16.681 7.165 73 HG21 THR 9 3HG2 THR 9 -0.216 13.060 6.981 74 HG22 THR 9 1HG2 THR 9 -1.671 12.924 7.968 75 HG23 THR 9 2HG2 THR 9 -0.281 13.828 8.567 76 H LEU 10 H LEU 10 -4.303 14.503 6.493 77 HA LEU 10 HA LEU 10 -4.681 11.748 6.899 78 HB2 LEU 10 2HB LEU 10 -6.193 14.113 7.249 79 HB3 LEU 10 1HB LEU 10 -7.167 13.048 6.236 80 HG LEU 10 HG LEU 10 -7.634 12.625 8.609 81 HD11 LEU 10 1HD1 LEU 10 -7.836 10.414 8.177 82 HD12 LEU 10 2HD1 LEU 10 -6.087 10.197 8.109 83 HD13 LEU 10 3HD1 LEU 10 -6.967 10.731 6.677 84 HD21 LEU 10 3HD2 LEU 10 -6.001 12.582 10.175 85 HD22 LEU 10 1HD2 LEU 10 -4.888 13.102 8.909 86 HD23 LEU 10 2HD2 LEU 10 -5.080 11.386 9.264 87 H THR 11 H THR 11 -5.724 13.819 4.201 88 HA THR 11 HA THR 11 -6.974 11.868 2.657 89 HB THR 11 HB THR 11 -5.409 14.311 1.802 90 HG1 THR 11 1HG THR 11 -7.945 13.777 2.717 91 HG21 THR 11 3HG2 THR 11 -6.751 12.179 0.263 92 HG22 THR 11 1HG2 THR 11 -5.520 13.333 -0.248 93 HG23 THR 11 2HG2 THR 11 -7.214 13.820 -0.185 94 H VAL 12 H VAL 12 -3.553 12.831 2.738 95 HA VAL 12 HA VAL 12 -2.662 11.134 0.670 96 HB VAL 12 HB VAL 12 -1.241 12.280 3.080 97 HG11 VAL 12 1HG1 VAL 12 0.810 11.735 1.568 98 HG12 VAL 12 2HG1 VAL 12 -0.265 10.563 0.804 99 HG13 VAL 12 3HG1 VAL 12 0.104 10.432 2.524 100 HG21 VAL 12 3HG2 VAL 12 -2.201 13.699 1.096 101 HG22 VAL 12 1HG2 VAL 12 -0.847 13.024 0.190 102 HG23 VAL 12 2HG2 VAL 12 -0.547 13.991 1.633 103 H GLY 13 H GLY 13 -2.849 10.653 4.187 104 HA2 GLY 13 2HA GLY 13 -1.692 8.083 4.258 105 HA3 GLY 13 1HA GLY 13 -2.782 8.746 5.473 106 H PHE 14 H PHE 14 -4.985 9.178 3.650 107 HA PHE 14 HA PHE 14 -6.217 6.612 3.805 108 HB2 PHE 14 2HB PHE 14 -7.593 8.572 4.014 109 HB3 PHE 14 1HB PHE 14 -7.053 9.181 2.449 110 HD1 PHE 14 2HD PHE 14 -8.545 6.055 3.906 111 HD2 PHE 14 1HD PHE 14 -8.466 8.829 0.627 112 HE1 PHE 14 2HE PHE 14 -10.366 4.791 2.792 113 HE2 PHE 14 1HE PHE 14 -10.287 7.565 -0.485 114 HZ PHE 14 HZ PHE 14 -11.236 5.546 0.596 115 H GLY 15 H GLY 15 -4.919 8.546 1.126 116 HA2 GLY 15 2HA GLY 15 -5.679 6.820 -0.973 117 HA3 GLY 15 1HA GLY 15 -4.359 7.984 -1.035 118 H ILE 16 H ILE 16 -2.882 6.859 1.173 119 HA ILE 16 HA ILE 16 -1.402 4.862 -0.245 120 HB ILE 16 HB ILE 16 -1.216 5.915 2.583 121 HG12 ILE 16 2HG1 ILE 16 0.696 6.254 0.262 122 HG13 ILE 16 1HG1 ILE 16 -0.640 7.370 0.542 123 HG21 ILE 16 1HG2 ILE 16 -0.141 3.919 2.927 124 HG22 ILE 16 2HG2 ILE 16 1.186 4.761 2.126 125 HG23 ILE 16 3HG2 ILE 16 0.155 3.663 1.207 126 HD11 ILE 16 3HD1 ILE 16 1.470 6.690 2.610 127 HD12 ILE 16 1HD1 ILE 16 0.208 7.914 2.754 128 HD13 ILE 16 2HD1 ILE 16 1.513 8.125 1.584 129 H LEU 17 H LEU 17 -3.650 4.831 2.488 130 HA LEU 17 HA LEU 17 -3.328 2.156 3.252 131 HB2 LEU 17 2HB LEU 17 -4.810 4.207 4.196 132 HB3 LEU 17 1HB LEU 17 -6.070 3.289 3.374 133 HG LEU 17 HG LEU 17 -4.925 1.240 4.618 134 HD11 LEU 17 1HD1 LEU 17 -3.842 1.771 6.645 135 HD12 LEU 17 2HD1 LEU 17 -4.427 3.435 6.625 136 HD13 LEU 17 3HD1 LEU 17 -3.161 2.931 5.505 137 HD21 LEU 17 3HD2 LEU 17 -7.176 1.623 5.095 138 HD22 LEU 17 1HD2 LEU 17 -6.885 3.277 5.634 139 HD23 LEU 17 2HD2 LEU 17 -6.426 1.921 6.663 140 H ILE 18 H ILE 18 -5.250 3.632 0.696 141 HA ILE 18 HA ILE 18 -6.743 1.299 0.021 142 HB ILE 18 HB ILE 18 -6.027 3.729 -1.631 143 HG12 ILE 18 2HG1 ILE 18 -8.653 3.080 -0.279 144 HG13 ILE 18 1HG1 ILE 18 -7.384 3.981 0.549 145 HG21 ILE 18 1HG2 ILE 18 -6.858 2.483 -3.334 146 HG22 ILE 18 2HG2 ILE 18 -8.424 2.695 -2.551 147 HG23 ILE 18 3HG2 ILE 18 -7.470 1.246 -2.235 148 HD11 ILE 18 3HD1 ILE 18 -7.820 5.865 -0.616 149 HD12 ILE 18 1HD1 ILE 18 -9.318 5.076 -1.110 150 HD13 ILE 18 2HD1 ILE 18 -7.894 4.994 -2.147 151 H PHE 19 H PHE 19 -3.878 2.828 -1.448 152 HA PHE 19 HA PHE 19 -3.405 0.938 -3.453 153 HB2 PHE 19 2HB PHE 19 -2.084 3.198 -2.438 154 HB3 PHE 19 1HB PHE 19 -0.917 1.879 -2.315 155 HD1 PHE 19 2HD PHE 19 -0.291 0.563 -4.336 156 HD2 PHE 19 1HD PHE 19 -2.818 4.029 -4.574 157 HE1 PHE 19 2HE PHE 19 0.099 0.679 -6.781 158 HE2 PHE 19 1HE PHE 19 -2.427 4.145 -7.020 159 HZ PHE 19 HZ PHE 19 -0.969 2.470 -8.125 160 H SER 20 H SER 20 -2.342 0.976 -0.067 161 HA SER 20 HA SER 20 -0.698 -1.321 -0.192 162 HB2 SER 20 2HB SER 20 -0.896 0.439 1.683 163 HB3 SER 20 1HB SER 20 -2.267 -0.510 2.249 164 HG SER 20 HG SER 20 0.310 -1.574 1.711 165 H LEU 21 H LEU 21 -4.147 -0.888 0.459 166 HA LEU 21 HA LEU 21 -4.716 -3.526 1.239 167 HB2 LEU 21 2HB LEU 21 -6.306 -1.674 1.543 168 HB3 LEU 21 1HB LEU 21 -6.498 -1.542 -0.203 169 HG LEU 21 HG LEU 21 -7.392 -3.847 -0.287 170 HD11 LEU 21 1HD1 LEU 21 -8.036 -4.703 2.145 171 HD12 LEU 21 2HD1 LEU 21 -6.621 -3.753 2.604 172 HD13 LEU 21 3HD1 LEU 21 -6.459 -5.071 1.444 173 HD21 LEU 21 3HD2 LEU 21 -9.513 -3.252 0.386 174 HD22 LEU 21 1HD2 LEU 21 -8.752 -1.664 0.431 175 HD23 LEU 21 2HD2 LEU 21 -8.958 -2.585 1.920 176 H ILE 22 H ILE 22 -5.049 -1.977 -1.952 177 HA ILE 22 HA ILE 22 -5.865 -4.256 -3.367 178 HB ILE 22 HB ILE 22 -4.270 -1.867 -4.321 179 HG12 ILE 22 2HG1 ILE 22 -7.137 -2.249 -4.982 180 HG13 ILE 22 1HG1 ILE 22 -6.787 -1.881 -3.293 181 HG21 ILE 22 1HG2 ILE 22 -5.365 -4.271 -5.690 182 HG22 ILE 22 2HG2 ILE 22 -3.988 -3.259 -6.124 183 HG23 ILE 22 3HG2 ILE 22 -5.627 -2.722 -6.491 184 HD11 ILE 22 3HD1 ILE 22 -5.700 -0.274 -5.620 185 HD12 ILE 22 1HD1 ILE 22 -5.602 0.134 -3.907 186 HD13 ILE 22 2HD1 ILE 22 -7.161 0.158 -4.732 187 H VAL 23 H VAL 23 -2.695 -3.188 -2.373 188 HA VAL 23 HA VAL 23 -1.171 -4.909 -4.049 189 HB VAL 23 HB VAL 23 -0.529 -3.511 -1.445 190 HG11 VAL 23 1HG1 VAL 23 1.102 -5.353 -3.180 191 HG12 VAL 23 2HG1 VAL 23 0.979 -5.311 -1.421 192 HG13 VAL 23 3HG1 VAL 23 1.885 -4.059 -2.273 193 HG21 VAL 23 3HG2 VAL 23 -0.762 -2.606 -4.091 194 HG22 VAL 23 1HG2 VAL 23 0.972 -2.796 -3.835 195 HG23 VAL 23 2HG2 VAL 23 0.030 -1.760 -2.763 196 H THR 24 H THR 24 -2.180 -5.138 -0.642 197 HA THR 24 HA THR 24 -1.078 -7.720 -0.219 198 HB THR 24 HB THR 24 -3.370 -6.385 1.242 199 HG1 THR 24 1HG THR 24 -0.698 -6.444 2.089 200 HG21 THR 24 3HG2 THR 24 -1.793 -7.962 2.956 201 HG22 THR 24 1HG2 THR 24 -2.041 -8.944 1.512 202 HG23 THR 24 2HG2 THR 24 -3.429 -8.314 2.397 203 H TYR 25 H TYR 25 -4.131 -6.548 -1.471 204 HA TYR 25 HA TYR 25 -5.586 -8.986 -1.256 205 HB2 TYR 25 2HB TYR 25 -6.770 -6.915 -1.622 206 HB3 TYR 25 1HB TYR 25 -5.902 -6.636 -3.132 207 HD1 TYR 25 2HD TYR 25 -8.432 -8.750 -1.447 208 HD2 TYR 25 1HD TYR 25 -6.490 -7.805 -5.160 209 HE1 TYR 25 2HE TYR 25 -10.138 -10.066 -2.674 210 HE2 TYR 25 1HE TYR 25 -8.197 -9.121 -6.387 211 HH TYR 25 HH TYR 25 -10.794 -9.795 -5.764 212 H CYS 26 H CYS 26 -3.684 -7.560 -3.900 213 HA CYS 26 HA CYS 26 -4.160 -9.562 -5.816 214 HB2 CYS 26 2HB CYS 26 -1.806 -7.708 -5.410 215 HB3 CYS 26 1HB CYS 26 -1.992 -8.754 -6.818 216 HG CYS 26 HG CYS 26 -3.120 -6.174 -6.917 217 H ILE 27 H ILE 27 -1.598 -9.235 -3.376 218 HA ILE 27 HA ILE 27 -0.083 -11.486 -4.087 219 HB ILE 27 HB ILE 27 -0.527 -10.191 -1.389 220 HG12 ILE 27 2HG1 ILE 27 1.883 -10.044 -3.210 221 HG13 ILE 27 1HG1 ILE 27 0.544 -8.904 -3.343 222 HG21 ILE 27 1HG2 ILE 27 1.211 -12.470 -2.287 223 HG22 ILE 27 2HG2 ILE 27 0.316 -12.278 -0.779 224 HG23 ILE 27 3HG2 ILE 27 1.805 -11.371 -1.041 225 HD11 ILE 27 3HD1 ILE 27 1.676 -9.372 -0.623 226 HD12 ILE 27 1HD1 ILE 27 1.019 -7.895 -1.328 227 HD13 ILE 27 2HD1 ILE 27 2.646 -8.427 -1.753 228 H ASN 28 H ASN 28 -2.883 -11.166 -1.933 229 HA ASN 28 HA ASN 28 -2.888 -13.839 -0.998 230 HB2 ASN 28 2HB ASN 28 -4.946 -11.656 -1.143 231 HB3 ASN 28 1HB ASN 28 -5.406 -13.278 -0.632 232 HD21 ASN 28 1HD2 ASN 28 -4.006 -14.207 1.223 233 HD22 ASN 28 2HD2 ASN 28 -3.466 -13.115 2.405 234 H ALA 29 H ALA 29 -4.631 -12.243 -3.659 235 HA ALA 29 HA ALA 29 -6.170 -14.396 -4.526 236 HB1 ALA 29 1HB ALA 29 -5.857 -13.252 -6.843 237 HB2 ALA 29 2HB ALA 29 -4.978 -12.024 -5.932 238 HB3 ALA 29 3HB ALA 29 -6.668 -12.360 -5.557 239 H LYS 30 H LYS 30 -2.819 -13.552 -5.301 240 HA LYS 30 HA LYS 30 -2.398 -15.562 -7.246 241 HB2 LYS 30 2HB LYS 30 -0.470 -14.132 -5.405 242 HB3 LYS 30 1HB LYS 30 0.030 -15.200 -6.716 243 HG2 LYS 30 2HG LYS 30 -1.899 -13.356 -7.757 244 HG3 LYS 30 1HG LYS 30 -0.677 -12.440 -6.875 245 HD2 LYS 30 2HD LYS 30 1.097 -13.652 -8.131 246 HD3 LYS 30 1HD LYS 30 -0.156 -14.470 -9.066 247 HE2 LYS 30 2HE LYS 30 -0.006 -12.720 -10.494 248 HE3 LYS 30 1HE LYS 30 -0.886 -11.810 -9.267 249 HZ1 LYS 30 3HZ LYS 30 0.905 -10.501 -9.267 250 HZ2 LYS 30 1HZ LYS 30 1.883 -11.651 -10.040 251 HZ3 LYS 30 2HZ LYS 30 1.650 -11.728 -8.359 252 H ALA 31 H ALA 31 -1.769 -15.490 -3.761 253 HA ALA 31 HA ALA 31 -0.640 -18.061 -3.558 254 HB1 ALA 31 1HB ALA 31 -1.209 -17.911 -1.161 255 HB2 ALA 31 2HB ALA 31 -2.212 -16.498 -1.498 256 HB3 ALA 31 3HB ALA 31 -0.468 -16.424 -1.753 257 H ASP 32 H ASP 32 -3.978 -16.943 -3.404 258 HA ASP 32 HA ASP 32 -5.210 -19.314 -2.579 259 HB2 ASP 32 2HB ASP 32 -6.140 -16.972 -4.214 260 HB3 ASP 32 1HB ASP 32 -7.195 -18.358 -3.954 261 H VAL 33 H VAL 33 -4.377 -18.175 -5.820 262 HA VAL 33 HA VAL 33 -5.483 -20.463 -7.141 263 HB VAL 33 HB VAL 33 -3.505 -18.387 -8.110 264 HG11 VAL 33 1HG1 VAL 33 -3.221 -19.948 -9.754 265 HG12 VAL 33 2HG1 VAL 33 -4.771 -19.330 -10.324 266 HG13 VAL 33 3HG1 VAL 33 -4.712 -20.796 -9.347 267 HG21 VAL 33 3HG2 VAL 33 -6.433 -18.610 -8.809 268 HG22 VAL 33 1HG2 VAL 33 -5.365 -17.217 -8.982 269 HG23 VAL 33 2HG2 VAL 33 -5.907 -17.720 -7.381 270 H LEU 34 H LEU 34 -2.212 -19.450 -6.280 271 HA LEU 34 HA LEU 34 -0.681 -21.394 -7.432 272 HB2 LEU 34 2HB LEU 34 -0.448 -20.003 -4.788 273 HB3 LEU 34 1HB LEU 34 0.736 -21.212 -5.268 274 HG LEU 34 HG LEU 34 0.029 -19.055 -7.226 275 HD11 LEU 34 1HD1 LEU 34 2.191 -17.953 -6.045 276 HD12 LEU 34 2HD1 LEU 34 1.440 -18.686 -4.629 277 HD13 LEU 34 3HD1 LEU 34 0.541 -17.520 -5.598 278 HD21 LEU 34 3HD2 LEU 34 2.057 -19.623 -8.184 279 HD22 LEU 34 1HD2 LEU 34 1.663 -21.161 -7.414 280 HD23 LEU 34 2HD2 LEU 34 2.787 -20.048 -6.636 281 H PHE 35 H PHE 35 -2.664 -21.631 -4.578 282 HA PHE 35 HA PHE 35 -2.364 -24.582 -4.734 283 HB2 PHE 35 2HB PHE 35 -2.257 -22.926 -2.204 284 HB3 PHE 35 1HB PHE 35 -2.375 -24.685 -2.250 285 HD1 PHE 35 1HD PHE 35 -0.547 -26.002 -3.433 286 HD2 PHE 35 2HD PHE 35 -0.175 -21.833 -2.465 287 HE1 PHE 35 1HE PHE 35 1.913 -26.156 -3.710 288 HE2 PHE 35 2HE PHE 35 2.284 -21.988 -2.742 289 HZ PHE 35 HZ PHE 35 3.329 -24.150 -3.364 290 H ILE 36 H ILE 36 -4.429 -24.135 -5.919 291 HA ILE 36 HA ILE 36 -6.774 -23.322 -5.684 292 HB ILE 36 HB ILE 36 -6.570 -26.201 -4.801 293 HG12 ILE 36 2HG1 ILE 36 -5.077 -26.002 -6.676 294 HG13 ILE 36 1HG1 ILE 36 -6.585 -26.658 -7.309 295 HG21 ILE 36 1HG2 ILE 36 -8.793 -24.674 -5.172 296 HG22 ILE 36 2HG2 ILE 36 -8.746 -26.409 -5.476 297 HG23 ILE 36 3HG2 ILE 36 -8.543 -25.274 -6.809 298 HD11 ILE 36 3HD1 ILE 36 -7.228 -24.196 -7.781 299 HD12 ILE 36 1HD1 ILE 36 -6.030 -24.944 -8.837 300 HD13 ILE 36 2HD1 ILE 36 -5.513 -23.850 -7.552 301 H ALA 37 H ALA 37 -6.377 -21.942 -3.756 302 HA ALA 37 HA ALA 37 -6.489 -22.586 -1.140 303 HB1 ALA 37 1HB ALA 37 -7.350 -20.310 -2.700 304 HB2 ALA 37 2HB ALA 37 -6.679 -20.352 -1.072 305 HB3 ALA 37 3HB ALA 37 -8.414 -20.555 -1.315 306 HA PRO 38 HA PRO 38 -10.230 -24.735 -0.256 307 HB2 PRO 38 2HB PRO 38 -10.925 -23.736 2.196 308 HB3 PRO 38 1HB PRO 38 -9.569 -24.853 1.945 309 HG2 PRO 38 2HG PRO 38 -9.545 -21.901 2.314 310 HG3 PRO 38 1HG PRO 38 -8.424 -23.128 2.927 311 HD2 PRO 38 2HD PRO 38 -7.871 -21.548 0.759 312 HD3 PRO 38 1HD PRO 38 -7.196 -23.177 0.982 313 H ARG 39 H ARG 39 -12.546 -24.152 0.913 314 HA ARG 39 HA ARG 39 -13.583 -21.762 -0.494 315 HB2 ARG 39 2HB ARG 39 -15.662 -22.986 -0.878 316 HB3 ARG 39 1HB ARG 39 -14.299 -23.866 -1.574 317 HG2 ARG 39 2HG ARG 39 -14.296 -24.947 0.897 318 HG3 ARG 39 1HG ARG 39 -16.011 -24.562 0.754 319 HD2 ARG 39 2HD ARG 39 -15.713 -26.785 -0.114 320 HD3 ARG 39 1HD ARG 39 -15.993 -25.722 -1.489 321 HE ARG 39 HE ARG 39 -13.271 -25.771 -1.263 322 HH11 ARG 39 1HH2 ARG 39 -15.769 -28.160 -1.446 323 HH12 ARG 39 2HH2 ARG 39 -14.777 -29.334 -2.244 324 HH21 ARG 39 1HH1 ARG 39 -11.965 -27.306 -2.309 325 HH22 ARG 39 2HH1 ARG 39 -12.623 -28.851 -2.734 326 H GLU 40 H GLU 40 -15.364 -20.692 0.485 327 HA GLU 40 HA GLU 40 -15.360 -20.984 3.408 328 HB2 GLU 40 2HB GLU 40 -16.819 -18.684 2.619 329 HB3 GLU 40 1HB GLU 40 -15.240 -18.750 3.401 330 HG2 GLU 40 2HG GLU 40 -14.159 -18.991 1.192 331 HG3 GLU 40 1HG GLU 40 -15.739 -18.903 0.415 332 HA PRO 41 HA PRO 41 -19.531 -22.388 3.528 333 HB2 PRO 41 2HB PRO 41 -20.537 -21.097 5.718 334 HB3 PRO 41 1HB PRO 41 -19.365 -22.424 5.826 335 HG2 PRO 41 2HG PRO 41 -18.925 -19.491 6.043 336 HG3 PRO 41 1HG PRO 41 -18.183 -20.816 6.952 337 HD2 PRO 41 2HD PRO 41 -16.931 -19.530 4.878 338 HD3 PRO 41 1HD PRO 41 -16.595 -21.213 5.340 339 H GLY 42 H GLY 42 -18.977 -19.916 1.904 340 HA2 GLY 42 2HA GLY 42 -20.131 -18.267 0.785 341 HA3 GLY 42 1HA GLY 42 -21.538 -19.292 1.043 342 H ALA 43 H ALA 43 -19.775 -18.062 3.770 343 HA ALA 43 HA ALA 43 -21.785 -15.946 4.192 344 HB1 ALA 43 1HB ALA 43 -20.913 -17.844 6.376 345 HB2 ALA 43 2HB ALA 43 -22.387 -18.073 5.434 346 HB3 ALA 43 3HB ALA 43 -22.199 -16.638 6.442 347 H VAL 44 H VAL 44 -20.457 -14.216 4.000 348 HA VAL 44 HA VAL 44 -17.773 -14.020 4.676 349 HB VAL 44 HB VAL 44 -19.926 -11.892 4.743 350 HG11 VAL 44 1HG1 VAL 44 -17.675 -10.519 4.258 351 HG12 VAL 44 2HG1 VAL 44 -16.983 -11.819 5.228 352 HG13 VAL 44 3HG1 VAL 44 -18.259 -10.804 5.900 353 HG21 VAL 44 3HG2 VAL 44 -19.797 -12.045 2.498 354 HG22 VAL 44 1HG2 VAL 44 -18.563 -13.298 2.624 355 HG23 VAL 44 2HG2 VAL 44 -18.094 -11.598 2.592 356 H SER 45 H SER 45 -17.109 -14.839 6.597 357 HA SER 45 HA SER 45 -17.892 -13.341 8.992 358 HB2 SER 45 2HB SER 45 -19.323 -15.421 8.830 359 HB3 SER 45 1HB SER 45 -17.843 -16.363 8.981 360 HG SER 45 HG SER 45 -17.466 -15.202 10.956 361 H TYR 46 H TYR 46 -16.485 -14.279 10.912 362 HA TYR 46 HA TYR 46 -14.381 -14.489 11.810 363 HB2 TYR 46 2HB TYR 46 -14.590 -16.586 10.192 364 HB3 TYR 46 1HB TYR 46 -13.330 -15.727 9.307 365 HD1 TYR 46 1HD TYR 46 -14.238 -16.918 12.735 366 HD2 TYR 46 2HD TYR 46 -11.090 -15.830 10.022 367 HE1 TYR 46 1HE TYR 46 -12.551 -17.693 14.381 368 HE2 TYR 46 2HE TYR 46 -9.404 -16.605 11.667 369 HH TYR 46 HH TYR 46 -9.199 -17.008 14.034 Start of MODEL 4 1 H ALA 1 1HT ALA 1 -5.188 27.232 11.515 2 HA ALA 1 HA ALA 1 -6.810 27.276 9.110 3 HB1 ALA 1 2HB ALA 1 -5.271 28.565 7.814 4 HB2 ALA 1 3HB ALA 1 -4.114 28.646 9.141 5 HB3 ALA 1 1HB ALA 1 -5.629 29.540 9.238 6 H SER 2 H SER 2 -4.434 26.176 11.253 7 HA SER 2 HA SER 2 -2.769 24.667 9.528 8 HB2 SER 2 2HB SER 2 -3.492 24.129 12.419 9 HB3 SER 2 1HB SER 2 -2.124 23.441 11.548 10 HG SER 2 HG SER 2 -2.544 26.231 11.753 11 H LYS 3 H LYS 3 -6.028 24.309 10.340 12 HA LYS 3 HA LYS 3 -6.321 21.504 10.417 13 HB2 LYS 3 2HB LYS 3 -8.022 23.563 10.765 14 HB3 LYS 3 1HB LYS 3 -8.461 23.099 9.120 15 HG2 LYS 3 2HG LYS 3 -8.594 20.697 9.985 16 HG3 LYS 3 1HG LYS 3 -8.508 21.381 11.607 17 HD2 LYS 3 2HD LYS 3 -10.785 21.442 11.394 18 HD3 LYS 3 1HD LYS 3 -10.441 22.952 10.551 19 HE2 LYS 3 2HE LYS 3 -10.232 21.505 8.425 20 HE3 LYS 3 1HE LYS 3 -11.029 20.242 9.363 21 HZ1 LYS 3 3HZ LYS 3 -12.544 21.693 8.037 22 HZ2 LYS 3 1HZ LYS 3 -12.123 22.980 9.059 23 HZ3 LYS 3 2HZ LYS 3 -12.909 21.614 9.696 24 H GLU 4 H GLU 4 -6.079 23.793 7.752 25 HA GLU 4 HA GLU 4 -6.910 22.100 5.664 26 HB2 GLU 4 2HB GLU 4 -5.222 24.560 5.854 27 HB3 GLU 4 1HB GLU 4 -5.215 23.650 4.343 28 HG2 GLU 4 2HG GLU 4 -6.949 25.375 4.260 29 HG3 GLU 4 1HG GLU 4 -7.703 23.782 4.285 30 H LEU 5 H LEU 5 -3.689 22.690 7.037 31 HA LEU 5 HA LEU 5 -2.273 21.004 5.275 32 HB2 LEU 5 2HB LEU 5 -1.749 22.101 8.021 33 HB3 LEU 5 1HB LEU 5 -0.647 20.910 7.335 34 HG LEU 5 HG LEU 5 0.024 23.294 6.873 35 HD11 LEU 5 1HD1 LEU 5 0.959 22.627 4.915 36 HD12 LEU 5 2HD1 LEU 5 -0.612 22.363 4.161 37 HD13 LEU 5 3HD1 LEU 5 0.099 21.107 5.170 38 HD21 LEU 5 3HD2 LEU 5 -2.417 24.031 6.639 39 HD22 LEU 5 1HD2 LEU 5 -2.375 23.328 5.023 40 HD23 LEU 5 2HD2 LEU 5 -1.303 24.667 5.430 41 H GLU 6 H GLU 6 -3.898 20.391 8.341 42 HA GLU 6 HA GLU 6 -2.989 17.763 8.756 43 HB2 GLU 6 2HB GLU 6 -4.563 19.463 10.160 44 HB3 GLU 6 1HB GLU 6 -5.783 18.360 9.524 45 HG2 GLU 6 2HG GLU 6 -3.297 17.547 11.060 46 HG3 GLU 6 1HG GLU 6 -4.941 17.563 11.696 47 H LEU 7 H LEU 7 -5.860 18.987 7.049 48 HA LEU 7 HA LEU 7 -7.001 16.526 6.369 49 HB2 LEU 7 2HB LEU 7 -7.095 19.274 5.179 50 HB3 LEU 7 1HB LEU 7 -7.825 17.927 4.303 51 HG LEU 7 HG LEU 7 -8.445 18.196 7.214 52 HD11 LEU 7 1HD1 LEU 7 -8.714 20.492 6.360 53 HD12 LEU 7 2HD1 LEU 7 -10.284 19.767 6.699 54 HD13 LEU 7 3HD1 LEU 7 -9.710 19.889 5.036 55 HD21 LEU 7 3HD2 LEU 7 -9.257 16.307 5.772 56 HD22 LEU 7 1HD2 LEU 7 -10.131 17.484 4.793 57 HD23 LEU 7 2HD2 LEU 7 -10.568 17.246 6.484 58 H ILE 8 H ILE 8 -4.541 18.455 4.700 59 HA ILE 8 HA ILE 8 -4.338 16.804 2.404 60 HB ILE 8 HB ILE 8 -2.286 18.636 3.670 61 HG12 ILE 8 2HG1 ILE 8 -4.113 19.130 1.303 62 HG13 ILE 8 1HG1 ILE 8 -4.525 19.618 2.948 63 HG21 ILE 8 1HG2 ILE 8 -1.130 17.169 2.178 64 HG22 ILE 8 2HG2 ILE 8 -1.413 18.654 1.269 65 HG23 ILE 8 3HG2 ILE 8 -2.430 17.240 0.990 66 HD11 ILE 8 3HD1 ILE 8 -3.208 21.242 1.256 67 HD12 ILE 8 1HD1 ILE 8 -1.828 20.399 1.961 68 HD13 ILE 8 2HD1 ILE 8 -2.946 21.283 2.999 69 H THR 9 H THR 9 -2.561 16.859 5.477 70 HA THR 9 HA THR 9 -0.658 14.889 4.881 71 HB THR 9 HB THR 9 -1.966 15.558 7.529 72 HG1 THR 9 1HG THR 9 -0.856 17.301 7.131 73 HG21 THR 9 3HG2 THR 9 0.055 13.580 6.731 74 HG22 THR 9 1HG2 THR 9 -0.887 13.689 8.219 75 HG23 THR 9 2HG2 THR 9 0.583 14.646 8.033 76 H LEU 10 H LEU 10 -3.878 14.579 6.374 77 HA LEU 10 HA LEU 10 -3.792 11.759 6.655 78 HB2 LEU 10 2HB LEU 10 -5.370 13.321 7.837 79 HB3 LEU 10 1HB LEU 10 -6.257 13.474 6.322 80 HG LEU 10 HG LEU 10 -5.938 10.720 6.621 81 HD11 LEU 10 1HD1 LEU 10 -6.845 10.300 8.909 82 HD12 LEU 10 2HD1 LEU 10 -6.592 12.002 9.292 83 HD13 LEU 10 3HD1 LEU 10 -5.213 10.963 8.930 84 HD21 LEU 10 3HD2 LEU 10 -8.374 10.765 7.066 85 HD22 LEU 10 1HD2 LEU 10 -7.933 11.898 5.789 86 HD23 LEU 10 2HD2 LEU 10 -8.271 12.491 7.415 87 H THR 11 H THR 11 -4.891 13.898 4.071 88 HA THR 11 HA THR 11 -6.258 12.105 2.462 89 HB THR 11 HB THR 11 -4.394 14.302 1.533 90 HG1 THR 11 1HG THR 11 -6.642 15.304 1.446 91 HG21 THR 11 3HG2 THR 11 -6.670 14.069 -0.105 92 HG22 THR 11 1HG2 THR 11 -6.098 12.420 0.151 93 HG23 THR 11 2HG2 THR 11 -5.012 13.635 -0.522 94 H VAL 12 H VAL 12 -2.766 12.829 2.462 95 HA VAL 12 HA VAL 12 -2.077 10.966 0.445 96 HB VAL 12 HB VAL 12 -0.467 12.196 2.688 97 HG11 VAL 12 1HG1 VAL 12 1.397 11.426 0.911 98 HG12 VAL 12 2HG1 VAL 12 0.221 10.139 0.644 99 HG13 VAL 12 3HG1 VAL 12 0.897 10.395 2.253 100 HG21 VAL 12 3HG2 VAL 12 -0.319 12.701 -0.290 101 HG22 VAL 12 1HG2 VAL 12 0.308 13.705 1.019 102 HG23 VAL 12 2HG2 VAL 12 -1.432 13.591 0.750 103 H GLY 13 H GLY 13 -2.169 10.719 3.981 104 HA2 GLY 13 2HA GLY 13 -1.075 8.138 4.224 105 HA3 GLY 13 1HA GLY 13 -2.161 8.895 5.386 106 H PHE 14 H PHE 14 -4.406 9.227 3.702 107 HA PHE 14 HA PHE 14 -5.634 6.686 3.951 108 HB2 PHE 14 2HB PHE 14 -6.929 8.753 4.092 109 HB3 PHE 14 1HB PHE 14 -6.522 9.146 2.422 110 HD1 PHE 14 2HD PHE 14 -8.054 6.410 4.479 111 HD2 PHE 14 1HD PHE 14 -7.942 8.448 0.699 112 HE1 PHE 14 2HE PHE 14 -9.970 5.048 3.687 113 HE2 PHE 14 1HE PHE 14 -9.859 7.088 -0.092 114 HZ PHE 14 HZ PHE 14 -10.872 5.387 1.402 115 H GLY 15 H GLY 15 -4.293 8.461 1.197 116 HA2 GLY 15 2HA GLY 15 -5.150 6.694 -0.836 117 HA3 GLY 15 1HA GLY 15 -3.788 7.805 -0.951 118 H ILE 16 H ILE 16 -2.264 6.760 1.202 119 HA ILE 16 HA ILE 16 -0.877 4.663 -0.128 120 HB ILE 16 HB ILE 16 -0.647 5.755 2.685 121 HG12 ILE 16 2HG1 ILE 16 1.196 6.083 0.300 122 HG13 ILE 16 1HG1 ILE 16 -0.088 7.231 0.684 123 HG21 ILE 16 1HG2 ILE 16 0.345 3.672 2.947 124 HG22 ILE 16 2HG2 ILE 16 1.715 4.589 2.320 125 HG23 ILE 16 3HG2 ILE 16 0.781 3.550 1.244 126 HD11 ILE 16 3HD1 ILE 16 1.799 6.461 2.872 127 HD12 ILE 16 1HD1 ILE 16 0.966 7.991 2.597 128 HD13 ILE 16 2HD1 ILE 16 2.379 7.569 1.629 129 H LEU 17 H LEU 17 -3.059 4.771 2.663 130 HA LEU 17 HA LEU 17 -2.819 2.118 3.497 131 HB2 LEU 17 2HB LEU 17 -4.039 3.871 4.757 132 HB3 LEU 17 1HB LEU 17 -5.314 3.839 3.539 133 HG LEU 17 HG LEU 17 -4.649 1.170 4.560 134 HD11 LEU 17 1HD1 LEU 17 -4.236 2.292 6.649 135 HD12 LEU 17 2HD1 LEU 17 -5.853 1.595 6.743 136 HD13 LEU 17 3HD1 LEU 17 -5.652 3.321 6.440 137 HD21 LEU 17 3HD2 LEU 17 -7.096 1.045 4.719 138 HD22 LEU 17 1HD2 LEU 17 -6.623 1.741 3.169 139 HD23 LEU 17 2HD2 LEU 17 -7.215 2.786 4.460 140 H ILE 18 H ILE 18 -4.908 3.564 1.018 141 HA ILE 18 HA ILE 18 -6.403 1.241 0.412 142 HB ILE 18 HB ILE 18 -5.664 3.660 -1.233 143 HG12 ILE 18 2HG1 ILE 18 -8.397 2.885 -0.251 144 HG13 ILE 18 1HG1 ILE 18 -7.258 3.656 0.855 145 HG21 ILE 18 1HG2 ILE 18 -6.201 2.313 -3.003 146 HG22 ILE 18 2HG2 ILE 18 -7.851 2.632 -2.473 147 HG23 ILE 18 3HG2 ILE 18 -7.043 1.141 -1.991 148 HD11 ILE 18 3HD1 ILE 18 -7.527 4.905 -1.824 149 HD12 ILE 18 1HD1 ILE 18 -7.347 5.661 -0.240 150 HD13 ILE 18 2HD1 ILE 18 -8.920 5.047 -0.754 151 H PHE 19 H PHE 19 -3.548 2.622 -1.216 152 HA PHE 19 HA PHE 19 -3.169 0.605 -3.111 153 HB2 PHE 19 2HB PHE 19 -1.719 2.867 -2.167 154 HB3 PHE 19 1HB PHE 19 -0.610 1.496 -2.209 155 HD1 PHE 19 1HD PHE 19 -2.821 3.665 -4.207 156 HD2 PHE 19 2HD PHE 19 -0.076 0.360 -4.302 157 HE1 PHE 19 1HE PHE 19 -2.685 3.849 -6.676 158 HE2 PHE 19 2HE PHE 19 0.059 0.545 -6.771 159 HZ PHE 19 HZ PHE 19 -1.245 2.288 -7.959 160 H SER 20 H SER 20 -1.899 0.855 0.199 161 HA SER 20 HA SER 20 -0.290 -1.419 0.232 162 HB2 SER 20 2HB SER 20 -0.321 0.195 2.068 163 HB3 SER 20 1HB SER 20 -1.973 -0.267 2.469 164 HG SER 20 HG SER 20 -1.267 -2.233 3.124 165 H LEU 21 H LEU 21 -3.746 -1.127 1.049 166 HA LEU 21 HA LEU 21 -4.140 -3.868 1.639 167 HB2 LEU 21 2HB LEU 21 -5.706 -2.115 2.341 168 HB3 LEU 21 1HB LEU 21 -6.131 -1.810 0.659 169 HG LEU 21 HG LEU 21 -6.333 -4.643 1.344 170 HD11 LEU 21 1HD1 LEU 21 -8.488 -4.253 2.668 171 HD12 LEU 21 2HD1 LEU 21 -7.915 -2.606 2.925 172 HD13 LEU 21 3HD1 LEU 21 -6.982 -3.970 3.539 173 HD21 LEU 21 3HD2 LEU 21 -8.442 -2.677 0.409 174 HD22 LEU 21 1HD2 LEU 21 -8.428 -4.424 0.172 175 HD23 LEU 21 2HD2 LEU 21 -7.257 -3.410 -0.672 176 H ILE 22 H ILE 22 -4.774 -1.974 -1.300 177 HA ILE 22 HA ILE 22 -5.813 -4.004 -2.895 178 HB ILE 22 HB ILE 22 -4.118 -1.608 -3.617 179 HG12 ILE 22 2HG1 ILE 22 -6.589 -1.580 -2.640 180 HG13 ILE 22 1HG1 ILE 22 -6.128 -0.500 -3.953 181 HG21 ILE 22 1HG2 ILE 22 -3.761 -3.041 -5.455 182 HG22 ILE 22 2HG2 ILE 22 -5.151 -2.076 -5.955 183 HG23 ILE 22 3HG2 ILE 22 -5.387 -3.718 -5.359 184 HD11 ILE 22 3HD1 ILE 22 -7.195 -1.836 -5.587 185 HD12 ILE 22 1HD1 ILE 22 -8.320 -1.854 -4.230 186 HD13 ILE 22 2HD1 ILE 22 -7.268 -3.240 -4.525 187 H VAL 23 H VAL 23 -2.508 -3.359 -1.979 188 HA VAL 23 HA VAL 23 -1.291 -5.057 -3.931 189 HB VAL 23 HB VAL 23 -0.287 -3.945 -1.300 190 HG11 VAL 23 1HG1 VAL 23 1.933 -4.574 -2.754 191 HG12 VAL 23 2HG1 VAL 23 0.862 -5.907 -3.186 192 HG13 VAL 23 3HG1 VAL 23 1.255 -5.603 -1.494 193 HG21 VAL 23 3HG2 VAL 23 1.017 -3.066 -3.739 194 HG22 VAL 23 1HG2 VAL 23 0.228 -2.099 -2.492 195 HG23 VAL 23 2HG2 VAL 23 -0.720 -2.768 -3.819 196 H THR 24 H THR 24 -1.932 -5.420 -0.438 197 HA THR 24 HA THR 24 -1.064 -8.101 -0.255 198 HB THR 24 HB THR 24 -3.135 -6.671 1.432 199 HG1 THR 24 1HG THR 24 -1.022 -5.684 1.259 200 HG21 THR 24 3HG2 THR 24 -2.153 -8.343 3.151 201 HG22 THR 24 1HG2 THR 24 -1.565 -9.226 1.742 202 HG23 THR 24 2HG2 THR 24 -3.296 -8.963 1.959 203 H TYR 25 H TYR 25 -4.081 -6.633 -1.239 204 HA TYR 25 HA TYR 25 -5.684 -8.997 -1.094 205 HB2 TYR 25 2HB TYR 25 -6.696 -6.771 -1.160 206 HB3 TYR 25 1HB TYR 25 -6.034 -6.505 -2.772 207 HD1 TYR 25 1HD TYR 25 -8.457 -8.482 -0.790 208 HD2 TYR 25 2HD TYR 25 -7.006 -7.542 -4.722 209 HE1 TYR 25 1HE TYR 25 -10.425 -9.614 -1.788 210 HE2 TYR 25 2HE TYR 25 -8.974 -8.674 -5.719 211 HH TYR 25 HH TYR 25 -10.698 -10.092 -5.272 212 H CYS 26 H CYS 26 -4.044 -7.362 -3.804 213 HA CYS 26 HA CYS 26 -4.753 -9.176 -5.816 214 HB2 CYS 26 2HB CYS 26 -2.375 -7.357 -5.470 215 HB3 CYS 26 1HB CYS 26 -2.590 -8.350 -6.912 216 HG CYS 26 HG CYS 26 -4.969 -7.103 -7.198 217 H ILE 27 H ILE 27 -2.154 -9.258 -3.441 218 HA ILE 27 HA ILE 27 -0.780 -11.488 -4.581 219 HB ILE 27 HB ILE 27 -0.763 -10.293 -1.804 220 HG12 ILE 27 2HG1 ILE 27 1.435 -10.274 -3.871 221 HG13 ILE 27 1HG1 ILE 27 0.157 -9.061 -3.899 222 HG21 ILE 27 1HG2 ILE 27 1.539 -11.692 -1.946 223 HG22 ILE 27 2HG2 ILE 27 0.513 -12.732 -2.935 224 HG23 ILE 27 3HG2 ILE 27 0.058 -12.370 -1.270 225 HD11 ILE 27 3HD1 ILE 27 0.844 -8.088 -1.917 226 HD12 ILE 27 1HD1 ILE 27 2.398 -8.663 -2.516 227 HD13 ILE 27 2HD1 ILE 27 1.527 -9.591 -1.296 228 H ASN 28 H ASN 28 -3.073 -11.159 -1.871 229 HA ASN 28 HA ASN 28 -3.185 -13.776 -1.005 230 HB2 ASN 28 2HB ASN 28 -5.261 -11.608 -1.168 231 HB3 ASN 28 1HB ASN 28 -5.678 -13.206 -0.551 232 HD21 ASN 28 1HD2 ASN 28 -5.077 -10.325 0.697 233 HD22 ASN 28 2HD2 ASN 28 -4.123 -10.726 2.042 234 H ALA 29 H ALA 29 -4.849 -12.293 -3.758 235 HA ALA 29 HA ALA 29 -6.399 -14.578 -4.446 236 HB1 ALA 29 1HB ALA 29 -7.102 -13.352 -6.270 237 HB2 ALA 29 2HB ALA 29 -5.512 -12.638 -6.538 238 HB3 ALA 29 3HB ALA 29 -6.534 -12.047 -5.227 239 H LYS 30 H LYS 30 -3.313 -13.304 -5.688 240 HA LYS 30 HA LYS 30 -2.817 -15.193 -7.661 241 HB2 LYS 30 2HB LYS 30 -0.872 -13.785 -5.821 242 HB3 LYS 30 1HB LYS 30 -0.399 -14.695 -7.256 243 HG2 LYS 30 2HG LYS 30 -2.538 -12.668 -7.636 244 HG3 LYS 30 1HG LYS 30 -0.920 -12.045 -7.316 245 HD2 LYS 30 2HD LYS 30 -0.015 -13.370 -9.169 246 HD3 LYS 30 1HD LYS 30 -1.608 -14.063 -9.473 247 HE2 LYS 30 2HE LYS 30 -2.504 -11.957 -10.154 248 HE3 LYS 30 1HE LYS 30 -1.104 -11.082 -9.532 249 HZ1 LYS 30 3HZ LYS 30 -0.231 -13.031 -11.355 250 HZ2 LYS 30 1HZ LYS 30 -0.099 -11.343 -11.469 251 HZ3 LYS 30 2HZ LYS 30 -1.472 -12.131 -12.086 252 H ALA 31 H ALA 31 -2.443 -15.429 -4.192 253 HA ALA 31 HA ALA 31 -1.034 -17.950 -4.285 254 HB1 ALA 31 1HB ALA 31 -2.150 -16.210 -2.118 255 HB2 ALA 31 2HB ALA 31 -0.500 -16.783 -2.353 256 HB3 ALA 31 3HB ALA 31 -1.739 -17.886 -1.756 257 H ASP 32 H ASP 32 -4.302 -16.917 -3.348 258 HA ASP 32 HA ASP 32 -5.396 -19.375 -2.688 259 HB2 ASP 32 2HB ASP 32 -6.699 -17.034 -4.095 260 HB3 ASP 32 1HB ASP 32 -7.580 -18.392 -3.396 261 H VAL 33 H VAL 33 -4.550 -18.101 -5.806 262 HA VAL 33 HA VAL 33 -6.130 -19.823 -7.414 263 HB VAL 33 HB VAL 33 -3.517 -18.414 -7.991 264 HG11 VAL 33 1HG1 VAL 33 -3.513 -19.968 -9.694 265 HG12 VAL 33 2HG1 VAL 33 -4.601 -18.779 -10.413 266 HG13 VAL 33 3HG1 VAL 33 -5.260 -20.210 -9.618 267 HG21 VAL 33 3HG2 VAL 33 -5.957 -17.543 -9.348 268 HG22 VAL 33 1HG2 VAL 33 -4.781 -16.590 -8.442 269 HG23 VAL 33 2HG2 VAL 33 -6.087 -17.415 -7.594 270 H LEU 34 H LEU 34 -3.421 -20.409 -5.461 271 HA LEU 34 HA LEU 34 -2.667 -22.821 -6.955 272 HB2 LEU 34 2HB LEU 34 -1.356 -21.249 -4.745 273 HB3 LEU 34 1HB LEU 34 -0.847 -22.892 -5.125 274 HG LEU 34 HG LEU 34 -0.480 -22.213 -7.490 275 HD11 LEU 34 1HD1 LEU 34 -0.303 -19.553 -7.633 276 HD12 LEU 34 2HD1 LEU 34 -1.566 -19.646 -6.406 277 HD13 LEU 34 3HD1 LEU 34 -1.813 -20.393 -7.983 278 HD21 LEU 34 3HD2 LEU 34 1.472 -20.629 -6.973 279 HD22 LEU 34 1HD2 LEU 34 1.469 -22.173 -6.123 280 HD23 LEU 34 2HD2 LEU 34 0.948 -20.707 -5.291 281 H PHE 35 H PHE 35 -4.867 -21.992 -4.697 282 HA PHE 35 HA PHE 35 -4.859 -24.705 -3.535 283 HB2 PHE 35 2HB PHE 35 -5.274 -22.110 -2.036 284 HB3 PHE 35 1HB PHE 35 -5.623 -23.708 -1.374 285 HD1 PHE 35 1HD PHE 35 -3.682 -25.458 -1.489 286 HD2 PHE 35 2HD PHE 35 -3.120 -21.213 -1.815 287 HE1 PHE 35 1HE PHE 35 -1.296 -25.727 -0.870 288 HE2 PHE 35 2HE PHE 35 -0.734 -21.480 -1.194 289 HZ PHE 35 HZ PHE 35 0.178 -23.738 -0.722 290 H ILE 36 H ILE 36 -6.454 -25.059 -5.232 291 HA ILE 36 HA ILE 36 -8.580 -24.931 -6.194 292 HB ILE 36 HB ILE 36 -9.341 -25.212 -3.285 293 HG12 ILE 36 2HG1 ILE 36 -7.511 -26.746 -3.679 294 HG13 ILE 36 1HG1 ILE 36 -9.002 -27.681 -3.720 295 HG21 ILE 36 1HG2 ILE 36 -11.237 -25.028 -4.819 296 HG22 ILE 36 2HG2 ILE 36 -11.097 -26.701 -4.278 297 HG23 ILE 36 3HG2 ILE 36 -10.525 -26.242 -5.881 298 HD11 ILE 36 3HD1 ILE 36 -7.848 -28.449 -5.620 299 HD12 ILE 36 1HD1 ILE 36 -7.239 -26.839 -6.010 300 HD13 ILE 36 2HD1 ILE 36 -8.934 -27.232 -6.293 301 H ALA 37 H ALA 37 -8.008 -22.523 -6.458 302 HA ALA 37 HA ALA 37 -8.920 -20.450 -4.956 303 HB1 ALA 37 1HB ALA 37 -8.298 -20.828 -7.715 304 HB2 ALA 37 2HB ALA 37 -8.326 -19.322 -6.797 305 HB3 ALA 37 3HB ALA 37 -9.784 -19.884 -7.613 306 HA PRO 38 HA PRO 38 -13.311 -20.678 -4.628 307 HB2 PRO 38 2HB PRO 38 -14.072 -18.060 -4.857 308 HB3 PRO 38 1HB PRO 38 -13.254 -18.714 -3.424 309 HG2 PRO 38 2HG PRO 38 -12.141 -17.121 -5.676 310 HG3 PRO 38 1HG PRO 38 -11.769 -17.050 -3.945 311 HD2 PRO 38 2HD PRO 38 -10.171 -18.314 -5.776 312 HD3 PRO 38 1HD PRO 38 -10.257 -18.776 -4.062 313 H ARG 39 H ARG 39 -15.402 -20.200 -5.737 314 HA ARG 39 HA ARG 39 -15.051 -19.849 -8.655 315 HB2 ARG 39 2HB ARG 39 -16.596 -21.562 -9.086 316 HB3 ARG 39 1HB ARG 39 -15.612 -22.206 -7.772 317 HG2 ARG 39 2HG ARG 39 -17.380 -21.217 -6.186 318 HG3 ARG 39 1HG ARG 39 -18.397 -21.036 -7.617 319 HD2 ARG 39 2HD ARG 39 -19.043 -23.161 -7.229 320 HD3 ARG 39 1HD ARG 39 -17.467 -23.623 -7.865 321 HE ARG 39 HE ARG 39 -17.223 -23.020 -5.110 322 HH11 ARG 39 1HH2 ARG 39 -18.590 -25.332 -7.291 323 HH12 ARG 39 2HH2 ARG 39 -18.486 -26.653 -6.174 324 HH21 ARG 39 1HH1 ARG 39 -17.082 -24.747 -3.642 325 HH22 ARG 39 2HH1 ARG 39 -17.633 -26.322 -4.108 326 H GLU 40 H GLU 40 -16.230 -18.299 -9.569 327 HA GLU 40 HA GLU 40 -17.684 -16.453 -8.103 328 HB2 GLU 40 2HB GLU 40 -17.395 -17.086 -10.995 329 HB3 GLU 40 1HB GLU 40 -18.761 -16.072 -10.532 330 HG2 GLU 40 2HG GLU 40 -17.403 -14.363 -9.741 331 HG3 GLU 40 1HG GLU 40 -16.056 -15.449 -9.400 332 HA PRO 41 HA PRO 41 -21.639 -18.262 -7.377 333 HB2 PRO 41 2HB PRO 41 -23.286 -16.074 -7.720 334 HB3 PRO 41 1HB PRO 41 -22.302 -16.363 -6.271 335 HG2 PRO 41 2HG PRO 41 -21.768 -14.584 -8.598 336 HG3 PRO 41 1HG PRO 41 -21.467 -14.311 -6.872 337 HD2 PRO 41 2HD PRO 41 -19.486 -15.002 -8.583 338 HD3 PRO 41 1HD PRO 41 -19.493 -15.521 -6.884 339 H GLY 42 H GLY 42 -21.721 -19.642 -9.232 340 HA2 GLY 42 2HA GLY 42 -23.429 -20.323 -10.820 341 HA3 GLY 42 1HA GLY 42 -23.516 -18.651 -11.364 342 H ALA 43 H ALA 43 -20.337 -19.541 -10.735 343 HA ALA 43 HA ALA 43 -19.313 -19.119 -13.238 344 HB1 ALA 43 1HB ALA 43 -17.906 -19.393 -11.249 345 HB2 ALA 43 2HB ALA 43 -17.364 -20.462 -12.543 346 HB3 ALA 43 3HB ALA 43 -18.298 -21.112 -11.197 347 H VAL 44 H VAL 44 -21.084 -21.870 -12.132 348 HA VAL 44 HA VAL 44 -20.202 -23.694 -14.169 349 HB VAL 44 HB VAL 44 -22.580 -23.707 -12.302 350 HG11 VAL 44 1HG1 VAL 44 -23.372 -25.059 -14.023 351 HG12 VAL 44 2HG1 VAL 44 -22.473 -26.238 -13.067 352 HG13 VAL 44 3HG1 VAL 44 -21.752 -25.549 -14.522 353 HG21 VAL 44 3HG2 VAL 44 -20.355 -25.699 -12.258 354 HG22 VAL 44 1HG2 VAL 44 -21.281 -25.023 -10.918 355 HG23 VAL 44 2HG2 VAL 44 -19.997 -24.075 -11.670 356 H SER 45 H SER 45 -23.373 -22.140 -13.623 357 HA SER 45 HA SER 45 -24.243 -22.667 -16.304 358 HB2 SER 45 2HB SER 45 -25.618 -22.262 -14.079 359 HB3 SER 45 1HB SER 45 -25.542 -20.582 -14.602 360 HG SER 45 HG SER 45 -26.462 -21.214 -16.570 361 H TYR 46 H TYR 46 -23.584 -19.618 -14.563 362 HA TYR 46 HA TYR 46 -23.678 -17.980 -16.868 363 HB2 TYR 46 2HB TYR 46 -23.182 -17.653 -14.061 364 HB3 TYR 46 1HB TYR 46 -21.944 -16.790 -14.973 365 HD1 TYR 46 2HD TYR 46 -25.628 -17.457 -15.324 366 HD2 TYR 46 1HD TYR 46 -22.455 -14.561 -15.426 367 HE1 TYR 46 2HE TYR 46 -27.269 -15.676 -15.856 368 HE2 TYR 46 1HE TYR 46 -24.097 -12.782 -15.958 369 HH TYR 46 HH TYR 46 -27.564 -13.535 -16.340 Start of MODEL 5 1 H ALA 1 1HT ALA 1 -6.014 23.463 14.163 2 HA ALA 1 HA ALA 1 -4.296 25.561 13.961 3 HB1 ALA 1 2HB ALA 1 -3.059 23.680 15.945 4 HB2 ALA 1 3HB ALA 1 -4.038 25.026 16.530 5 HB3 ALA 1 1HB ALA 1 -2.605 25.338 15.548 6 H SER 2 H SER 2 -2.771 24.991 12.447 7 HA SER 2 HA SER 2 -1.842 23.720 10.772 8 HB2 SER 2 2HB SER 2 -1.751 21.442 12.732 9 HB3 SER 2 1HB SER 2 -0.590 21.864 11.477 10 HG SER 2 HG SER 2 -0.047 22.448 13.725 11 H LYS 3 H LYS 3 -4.733 23.708 11.005 12 HA LYS 3 HA LYS 3 -5.803 21.107 10.656 13 HB2 LYS 3 2HB LYS 3 -6.842 23.657 10.871 14 HB3 LYS 3 1HB LYS 3 -7.198 23.227 9.199 15 HG2 LYS 3 2HG LYS 3 -8.151 21.055 10.026 16 HG3 LYS 3 1HG LYS 3 -7.931 21.639 11.676 17 HD2 LYS 3 2HD LYS 3 -9.388 23.567 11.196 18 HD3 LYS 3 1HD LYS 3 -9.602 23.000 9.540 19 HE2 LYS 3 2HE LYS 3 -10.254 21.206 11.870 20 HE3 LYS 3 1HE LYS 3 -11.427 22.389 11.288 21 HZ1 LYS 3 3HZ LYS 3 -10.316 21.022 9.095 22 HZ2 LYS 3 1HZ LYS 3 -11.930 21.052 9.617 23 HZ3 LYS 3 2HZ LYS 3 -10.862 19.880 10.228 24 H GLU 4 H GLU 4 -4.631 23.545 8.361 25 HA GLU 4 HA GLU 4 -5.338 22.240 5.982 26 HB2 GLU 4 2HB GLU 4 -2.936 24.005 6.519 27 HB3 GLU 4 1HB GLU 4 -3.588 23.607 4.928 28 HG2 GLU 4 2HG GLU 4 -5.436 24.763 6.981 29 HG3 GLU 4 1HG GLU 4 -4.307 25.841 6.163 30 H LEU 5 H LEU 5 -2.396 22.002 7.959 31 HA LEU 5 HA LEU 5 -1.018 20.212 6.245 32 HB2 LEU 5 2HB LEU 5 -0.771 20.864 9.180 33 HB3 LEU 5 1HB LEU 5 0.270 19.677 8.394 34 HG LEU 5 HG LEU 5 -0.046 22.342 7.079 35 HD11 LEU 5 1HD1 LEU 5 1.927 23.122 8.503 36 HD12 LEU 5 2HD1 LEU 5 1.532 21.802 9.605 37 HD13 LEU 5 3HD1 LEU 5 0.360 23.089 9.313 38 HD21 LEU 5 3HD2 LEU 5 2.393 20.600 7.526 39 HD22 LEU 5 1HD2 LEU 5 2.187 21.875 6.323 40 HD23 LEU 5 2HD2 LEU 5 1.286 20.368 6.173 41 H GLU 6 H GLU 6 -3.067 19.690 9.102 42 HA GLU 6 HA GLU 6 -2.789 16.912 9.292 43 HB2 GLU 6 2HB GLU 6 -4.657 18.947 10.286 44 HB3 GLU 6 1HB GLU 6 -5.385 17.354 10.081 45 HG2 GLU 6 2HG GLU 6 -3.695 16.327 11.471 46 HG3 GLU 6 1HG GLU 6 -2.774 17.830 11.541 47 H LEU 7 H LEU 7 -5.272 18.816 7.579 48 HA LEU 7 HA LEU 7 -6.745 16.705 6.517 49 HB2 LEU 7 2HB LEU 7 -6.204 19.502 5.541 50 HB3 LEU 7 1HB LEU 7 -7.221 18.394 4.622 51 HG LEU 7 HG LEU 7 -7.756 18.680 7.549 52 HD11 LEU 7 1HD1 LEU 7 -9.387 20.586 6.739 53 HD12 LEU 7 2HD1 LEU 7 -8.190 20.794 5.461 54 HD13 LEU 7 3HD1 LEU 7 -7.717 20.977 7.149 55 HD21 LEU 7 3HD2 LEU 7 -8.918 17.189 5.678 56 HD22 LEU 7 1HD2 LEU 7 -9.795 18.684 5.351 57 HD23 LEU 7 2HD2 LEU 7 -9.877 17.945 6.950 58 H ILE 8 H ILE 8 -3.903 18.363 5.165 59 HA ILE 8 HA ILE 8 -3.770 16.951 2.742 60 HB ILE 8 HB ILE 8 -1.616 18.253 4.415 61 HG12 ILE 8 2HG1 ILE 8 -3.610 19.489 3.172 62 HG13 ILE 8 1HG1 ILE 8 -1.972 20.140 3.103 63 HG21 ILE 8 1HG2 ILE 8 -1.507 16.864 1.742 64 HG22 ILE 8 2HG2 ILE 8 -0.398 16.720 3.106 65 HG23 ILE 8 3HG2 ILE 8 -0.394 18.181 2.121 66 HD11 ILE 8 3HD1 ILE 8 -3.268 19.900 0.871 67 HD12 ILE 8 1HD1 ILE 8 -2.946 18.175 1.031 68 HD13 ILE 8 2HD1 ILE 8 -1.606 19.316 0.923 69 H THR 9 H THR 9 -2.006 16.371 5.787 70 HA THR 9 HA THR 9 -0.655 14.059 5.040 71 HB THR 9 HB THR 9 -1.818 14.655 7.772 72 HG1 THR 9 1HG THR 9 0.588 15.351 7.848 73 HG21 THR 9 3HG2 THR 9 0.754 13.399 7.784 74 HG22 THR 9 1HG2 THR 9 -0.318 12.461 6.745 75 HG23 THR 9 2HG2 THR 9 -0.771 12.779 8.419 76 H LEU 10 H LEU 10 -3.968 14.465 6.187 77 HA LEU 10 HA LEU 10 -4.536 11.689 6.478 78 HB2 LEU 10 2HB LEU 10 -5.987 14.213 6.663 79 HB3 LEU 10 1HB LEU 10 -6.960 12.930 5.943 80 HG LEU 10 HG LEU 10 -5.382 12.574 8.502 81 HD11 LEU 10 1HD1 LEU 10 -7.637 12.760 9.610 82 HD12 LEU 10 2HD1 LEU 10 -8.284 13.338 8.075 83 HD13 LEU 10 3HD1 LEU 10 -7.054 14.275 8.922 84 HD21 LEU 10 3HD2 LEU 10 -6.078 10.430 8.389 85 HD22 LEU 10 1HD2 LEU 10 -6.631 10.765 6.747 86 HD23 LEU 10 2HD2 LEU 10 -7.744 10.934 8.102 87 H THR 11 H THR 11 -5.283 14.045 3.908 88 HA THR 11 HA THR 11 -6.639 12.399 2.147 89 HB THR 11 HB THR 11 -4.635 14.554 1.431 90 HG1 THR 11 1HG THR 11 -7.441 14.746 1.715 91 HG21 THR 11 3HG2 THR 11 -5.168 13.329 -0.543 92 HG22 THR 11 1HG2 THR 11 -6.210 14.751 -0.571 93 HG23 THR 11 2HG2 THR 11 -6.865 13.188 -0.082 94 H VAL 12 H VAL 12 -3.137 12.802 2.541 95 HA VAL 12 HA VAL 12 -2.393 11.095 0.394 96 HB VAL 12 HB VAL 12 -0.857 11.826 2.901 97 HG11 VAL 12 1HG1 VAL 12 -0.214 10.287 0.431 98 HG12 VAL 12 2HG1 VAL 12 0.438 10.122 2.062 99 HG13 VAL 12 3HG1 VAL 12 1.013 11.416 1.009 100 HG21 VAL 12 3HG2 VAL 12 0.049 13.640 1.633 101 HG22 VAL 12 1HG2 VAL 12 -1.693 13.708 1.373 102 HG23 VAL 12 2HG2 VAL 12 -0.644 13.029 0.130 103 H GLY 13 H GLY 13 -2.876 10.558 3.867 104 HA2 GLY 13 2HA GLY 13 -2.005 7.873 3.947 105 HA3 GLY 13 1HA GLY 13 -3.099 8.629 5.102 106 H PHE 14 H PHE 14 -5.119 9.340 3.176 107 HA PHE 14 HA PHE 14 -6.663 6.963 3.199 108 HB2 PHE 14 2HB PHE 14 -7.627 9.254 3.223 109 HB3 PHE 14 1HB PHE 14 -7.100 9.467 1.554 110 HD1 PHE 14 2HD PHE 14 -8.967 6.967 3.648 111 HD2 PHE 14 1HD PHE 14 -8.631 8.978 -0.133 112 HE1 PHE 14 2HE PHE 14 -11.017 5.819 2.854 113 HE2 PHE 14 1HE PHE 14 -10.680 7.830 -0.926 114 HZ PHE 14 HZ PHE 14 -11.873 6.250 0.566 115 H GLY 15 H GLY 15 -5.042 8.712 0.551 116 HA2 GLY 15 2HA GLY 15 -5.782 6.932 -1.515 117 HA3 GLY 15 1HA GLY 15 -4.414 8.040 -1.561 118 H ILE 16 H ILE 16 -3.126 6.922 0.794 119 HA ILE 16 HA ILE 16 -1.633 4.842 -0.484 120 HB ILE 16 HB ILE 16 -1.586 5.973 2.319 121 HG12 ILE 16 2HG1 ILE 16 -0.760 7.168 0.080 122 HG13 ILE 16 1HG1 ILE 16 0.168 7.290 1.575 123 HG21 ILE 16 1HG2 ILE 16 0.665 4.723 2.380 124 HG22 ILE 16 2HG2 ILE 16 0.036 3.771 1.032 125 HG23 ILE 16 3HG2 ILE 16 -0.791 3.753 2.588 126 HD11 ILE 16 3HD1 ILE 16 1.719 5.634 0.881 127 HD12 ILE 16 1HD1 ILE 16 1.465 6.629 -0.551 128 HD13 ILE 16 2HD1 ILE 16 0.658 5.070 -0.412 129 H LEU 17 H LEU 17 -4.069 4.958 2.073 130 HA LEU 17 HA LEU 17 -3.906 2.281 2.917 131 HB2 LEU 17 2HB LEU 17 -5.610 4.528 3.379 132 HB3 LEU 17 1HB LEU 17 -6.625 3.132 3.020 133 HG LEU 17 HG LEU 17 -4.343 3.062 5.014 134 HD11 LEU 17 1HD1 LEU 17 -7.312 3.380 5.541 135 HD12 LEU 17 2HD1 LEU 17 -6.117 4.665 5.708 136 HD13 LEU 17 3HD1 LEU 17 -6.044 3.252 6.759 137 HD21 LEU 17 3HD2 LEU 17 -4.777 0.851 5.036 138 HD22 LEU 17 1HD2 LEU 17 -6.000 1.075 3.789 139 HD23 LEU 17 2HD2 LEU 17 -6.447 1.185 5.491 140 H ILE 18 H ILE 18 -5.780 3.805 0.323 141 HA ILE 18 HA ILE 18 -7.249 1.512 -0.439 142 HB ILE 18 HB ILE 18 -6.396 3.951 -2.007 143 HG12 ILE 18 2HG1 ILE 18 -9.207 3.341 -1.201 144 HG13 ILE 18 1HG1 ILE 18 -8.098 3.863 0.068 145 HG21 ILE 18 1HG2 ILE 18 -6.833 2.300 -3.655 146 HG22 ILE 18 2HG2 ILE 18 -8.349 3.186 -3.501 147 HG23 ILE 18 3HG2 ILE 18 -8.167 1.613 -2.728 148 HD11 ILE 18 3HD1 ILE 18 -9.465 5.629 -1.396 149 HD12 ILE 18 1HD1 ILE 18 -8.100 5.407 -2.489 150 HD13 ILE 18 2HD1 ILE 18 -7.825 5.966 -0.839 151 H PHE 19 H PHE 19 -4.238 2.900 -1.751 152 HA PHE 19 HA PHE 19 -3.764 0.919 -3.690 153 HB2 PHE 19 2HB PHE 19 -2.296 3.123 -2.485 154 HB3 PHE 19 1HB PHE 19 -1.248 1.751 -2.842 155 HD1 PHE 19 2HD PHE 19 -1.792 0.579 -5.204 156 HD2 PHE 19 1HD PHE 19 -2.648 4.665 -4.194 157 HE1 PHE 19 2HE PHE 19 -1.840 1.164 -7.613 158 HE2 PHE 19 1HE PHE 19 -2.696 5.250 -6.602 159 HZ PHE 19 HZ PHE 19 -2.293 3.501 -8.313 160 H SER 20 H SER 20 -2.602 1.190 -0.335 161 HA SER 20 HA SER 20 -1.000 -1.076 -0.232 162 HB2 SER 20 2HB SER 20 -2.788 -0.158 2.021 163 HB3 SER 20 1HB SER 20 -1.243 -0.996 2.144 164 HG SER 20 HG SER 20 -0.211 0.819 1.684 165 H LEU 21 H LEU 21 -4.504 -0.780 0.090 166 HA LEU 21 HA LEU 21 -4.993 -3.464 0.879 167 HB2 LEU 21 2HB LEU 21 -6.639 -1.646 1.174 168 HB3 LEU 21 1HB LEU 21 -6.825 -1.542 -0.577 169 HG LEU 21 HG LEU 21 -7.106 -4.286 0.279 170 HD11 LEU 21 1HD1 LEU 21 -8.912 -2.244 1.611 171 HD12 LEU 21 2HD1 LEU 21 -7.828 -3.375 2.423 172 HD13 LEU 21 3HD1 LEU 21 -9.236 -3.977 1.549 173 HD21 LEU 21 3HD2 LEU 21 -9.245 -4.055 -0.920 174 HD22 LEU 21 1HD2 LEU 21 -7.942 -3.294 -1.835 175 HD23 LEU 21 2HD2 LEU 21 -9.069 -2.300 -0.912 176 H ILE 22 H ILE 22 -5.349 -1.851 -2.287 177 HA ILE 22 HA ILE 22 -6.053 -4.063 -3.806 178 HB ILE 22 HB ILE 22 -4.323 -1.716 -4.621 179 HG12 ILE 22 2HG1 ILE 22 -7.290 -2.131 -5.050 180 HG13 ILE 22 1HG1 ILE 22 -6.651 -1.282 -3.640 181 HG21 ILE 22 1HG2 ILE 22 -5.668 -3.939 -6.136 182 HG22 ILE 22 2HG2 ILE 22 -4.059 -3.255 -6.365 183 HG23 ILE 22 3HG2 ILE 22 -5.481 -2.353 -6.887 184 HD11 ILE 22 3HD1 ILE 22 -7.277 0.221 -5.580 185 HD12 ILE 22 1HD1 ILE 22 -5.960 -0.522 -6.489 186 HD13 ILE 22 2HD1 ILE 22 -5.614 0.394 -5.021 187 H VAL 23 H VAL 23 -2.941 -3.139 -2.527 188 HA VAL 23 HA VAL 23 -1.400 -4.917 -4.174 189 HB VAL 23 HB VAL 23 -0.756 -3.483 -1.588 190 HG11 VAL 23 1HG1 VAL 23 0.807 -5.197 -1.543 191 HG12 VAL 23 2HG1 VAL 23 1.651 -4.033 -2.565 192 HG13 VAL 23 3HG1 VAL 23 0.798 -5.393 -3.297 193 HG21 VAL 23 3HG2 VAL 23 -0.004 -1.762 -2.893 194 HG22 VAL 23 1HG2 VAL 23 -1.124 -2.435 -4.078 195 HG23 VAL 23 2HG2 VAL 23 0.590 -2.845 -4.151 196 H THR 24 H THR 24 -2.432 -4.976 -0.760 197 HA THR 24 HA THR 24 -1.413 -7.531 -0.156 198 HB THR 24 HB THR 24 -3.743 -6.009 1.034 199 HG1 THR 24 1HG THR 24 -1.632 -6.266 2.608 200 HG21 THR 24 3HG2 THR 24 -3.025 -7.619 3.014 201 HG22 THR 24 1HG2 THR 24 -2.499 -8.651 1.684 202 HG23 THR 24 2HG2 THR 24 -4.186 -8.148 1.797 203 H TYR 25 H TYR 25 -4.378 -6.486 -1.700 204 HA TYR 25 HA TYR 25 -5.787 -8.953 -1.489 205 HB2 TYR 25 2HB TYR 25 -7.045 -6.981 -1.987 206 HB3 TYR 25 1HB TYR 25 -6.037 -6.617 -3.388 207 HD1 TYR 25 2HD TYR 25 -6.120 -8.086 -5.409 208 HD2 TYR 25 1HD TYR 25 -8.836 -8.574 -2.117 209 HE1 TYR 25 2HE TYR 25 -7.611 -9.456 -6.841 210 HE2 TYR 25 1HE TYR 25 -10.327 -9.943 -3.550 211 HH TYR 25 HH TYR 25 -9.495 -10.614 -6.955 212 H CYS 26 H CYS 26 -3.832 -7.514 -4.097 213 HA CYS 26 HA CYS 26 -4.093 -9.565 -5.975 214 HB2 CYS 26 2HB CYS 26 -1.828 -7.644 -5.423 215 HB3 CYS 26 1HB CYS 26 -1.832 -8.750 -6.795 216 HG CYS 26 HG CYS 26 -3.112 -6.176 -6.974 217 H ILE 27 H ILE 27 -1.865 -9.226 -3.249 218 HA ILE 27 HA ILE 27 -0.293 -11.523 -3.863 219 HB ILE 27 HB ILE 27 -0.728 -9.995 -1.291 220 HG12 ILE 27 2HG1 ILE 27 1.724 -10.128 -3.056 221 HG13 ILE 27 1HG1 ILE 27 0.446 -8.941 -3.326 222 HG21 ILE 27 1HG2 ILE 27 0.087 -11.914 -0.353 223 HG22 ILE 27 2HG2 ILE 27 1.627 -11.306 -0.959 224 HG23 ILE 27 3HG2 ILE 27 0.729 -12.510 -1.885 225 HD11 ILE 27 3HD1 ILE 27 1.721 -9.281 -0.612 226 HD12 ILE 27 1HD1 ILE 27 0.804 -7.907 -1.228 227 HD13 ILE 27 2HD1 ILE 27 2.429 -8.225 -1.834 228 H ASN 28 H ASN 28 -2.975 -10.962 -1.585 229 HA ASN 28 HA ASN 28 -3.149 -13.448 -0.404 230 HB2 ASN 28 2HB ASN 28 -5.254 -11.442 -1.177 231 HB3 ASN 28 1HB ASN 28 -5.689 -12.955 -0.386 232 HD21 ASN 28 1HD2 ASN 28 -2.628 -11.301 0.294 233 HD22 ASN 28 2HD2 ASN 28 -3.030 -10.845 1.880 234 H ALA 29 H ALA 29 -4.329 -12.435 -3.577 235 HA ALA 29 HA ALA 29 -5.689 -14.892 -4.146 236 HB1 ALA 29 1HB ALA 29 -5.758 -14.021 -6.471 237 HB2 ALA 29 2HB ALA 29 -4.705 -12.694 -5.980 238 HB3 ALA 29 3HB ALA 29 -6.322 -12.836 -5.292 239 H LYS 30 H LYS 30 -2.616 -13.493 -5.304 240 HA LYS 30 HA LYS 30 -1.754 -15.621 -6.868 241 HB2 LYS 30 2HB LYS 30 -0.042 -13.803 -5.155 242 HB3 LYS 30 1HB LYS 30 0.511 -14.753 -6.533 243 HG2 LYS 30 2HG LYS 30 -1.813 -13.137 -7.214 244 HG3 LYS 30 1HG LYS 30 -0.482 -12.142 -6.622 245 HD2 LYS 30 2HD LYS 30 1.037 -13.119 -8.251 246 HD3 LYS 30 1HD LYS 30 -0.208 -14.250 -8.783 247 HE2 LYS 30 2HE LYS 30 -1.470 -12.574 -9.827 248 HE3 LYS 30 1HE LYS 30 -0.730 -11.288 -8.873 249 HZ1 LYS 30 3HZ LYS 30 0.267 -11.108 -10.948 250 HZ2 LYS 30 1HZ LYS 30 0.414 -12.786 -11.145 251 HZ3 LYS 30 2HZ LYS 30 1.414 -11.971 -10.040 252 H ALA 31 H ALA 31 -1.924 -15.335 -3.419 253 HA ALA 31 HA ALA 31 -0.162 -17.606 -2.947 254 HB1 ALA 31 1HB ALA 31 -1.915 -16.295 -0.883 255 HB2 ALA 31 2HB ALA 31 -0.419 -15.534 -1.427 256 HB3 ALA 31 3HB ALA 31 -0.373 -17.120 -0.657 257 H ASP 32 H ASP 32 -3.611 -16.821 -2.757 258 HA ASP 32 HA ASP 32 -4.528 -19.235 -1.664 259 HB2 ASP 32 2HB ASP 32 -5.795 -17.186 -3.471 260 HB3 ASP 32 1HB ASP 32 -6.670 -18.632 -2.968 261 H VAL 33 H VAL 33 -3.363 -18.469 -4.831 262 HA VAL 33 HA VAL 33 -4.602 -20.538 -6.306 263 HB VAL 33 HB VAL 33 -1.922 -19.199 -6.740 264 HG11 VAL 33 1HG1 VAL 33 -2.434 -19.900 -9.150 265 HG12 VAL 33 2HG1 VAL 33 -3.655 -20.977 -8.468 266 HG13 VAL 33 3HG1 VAL 33 -1.954 -21.191 -8.051 267 HG21 VAL 33 3HG2 VAL 33 -4.220 -18.521 -8.449 268 HG22 VAL 33 1HG2 VAL 33 -3.051 -17.457 -7.665 269 HG23 VAL 33 2HG2 VAL 33 -4.438 -18.065 -6.759 270 H LEU 34 H LEU 34 -2.261 -20.638 -3.854 271 HA LEU 34 HA LEU 34 -1.167 -23.210 -4.763 272 HB2 LEU 34 2HB LEU 34 -0.350 -21.206 -2.676 273 HB3 LEU 34 1HB LEU 34 0.256 -22.861 -2.620 274 HG LEU 34 HG LEU 34 1.185 -22.655 -4.855 275 HD11 LEU 34 1HD1 LEU 34 -0.311 -21.312 -6.062 276 HD12 LEU 34 2HD1 LEU 34 1.072 -20.239 -5.853 277 HD13 LEU 34 3HD1 LEU 34 -0.344 -20.063 -4.818 278 HD21 LEU 34 3HD2 LEU 34 1.806 -20.339 -3.005 279 HD22 LEU 34 1HD2 LEU 34 2.753 -20.683 -4.453 280 HD23 LEU 34 2HD2 LEU 34 2.675 -21.867 -3.148 281 H PHE 35 H PHE 35 -3.874 -22.337 -3.314 282 HA PHE 35 HA PHE 35 -3.776 -24.430 -1.232 283 HB2 PHE 35 2HB PHE 35 -5.501 -21.984 -1.579 284 HB3 PHE 35 1HB PHE 35 -5.965 -23.300 -0.499 285 HD1 PHE 35 1HD PHE 35 -3.044 -21.089 -1.302 286 HD2 PHE 35 2HD PHE 35 -5.159 -23.320 1.697 287 HE1 PHE 35 1HE PHE 35 -1.513 -20.205 0.437 288 HE2 PHE 35 2HE PHE 35 -3.630 -22.436 3.436 289 HZ PHE 35 HZ PHE 35 -1.805 -20.879 2.805 290 H ILE 36 H ILE 36 -3.993 -26.071 -2.906 291 HA ILE 36 HA ILE 36 -5.170 -27.349 -4.458 292 HB ILE 36 HB ILE 36 -7.247 -27.005 -2.280 293 HG12 ILE 36 2HG1 ILE 36 -6.120 -29.129 -1.412 294 HG13 ILE 36 1HG1 ILE 36 -4.797 -28.774 -2.521 295 HG21 ILE 36 1HG2 ILE 36 -8.416 -28.328 -3.700 296 HG22 ILE 36 2HG2 ILE 36 -7.317 -29.604 -3.175 297 HG23 ILE 36 3HG2 ILE 36 -6.990 -28.714 -4.662 298 HD11 ILE 36 3HD1 ILE 36 -4.033 -27.045 -1.252 299 HD12 ILE 36 1HD1 ILE 36 -4.939 -27.831 0.041 300 HD13 ILE 36 2HD1 ILE 36 -5.656 -26.493 -0.849 301 H ALA 37 H ALA 37 -5.449 -24.433 -4.857 302 HA ALA 37 HA ALA 37 -7.977 -23.501 -5.364 303 HB1 ALA 37 1HB ALA 37 -6.389 -22.787 -7.617 304 HB2 ALA 37 2HB ALA 37 -5.331 -22.844 -6.209 305 HB3 ALA 37 3HB ALA 37 -6.760 -21.814 -6.192 306 HA PRO 38 HA PRO 38 -9.842 -25.900 -8.527 307 HB2 PRO 38 2HB PRO 38 -10.929 -23.962 -10.154 308 HB3 PRO 38 1HB PRO 38 -11.613 -24.446 -8.590 309 HG2 PRO 38 2HG PRO 38 -9.904 -22.102 -9.267 310 HG3 PRO 38 1HG PRO 38 -11.307 -22.203 -8.187 311 HD2 PRO 38 2HD PRO 38 -8.762 -22.169 -7.247 312 HD3 PRO 38 1HD PRO 38 -10.053 -23.074 -6.431 313 H ARG 39 H ARG 39 -9.855 -26.369 -10.881 314 HA ARG 39 HA ARG 39 -7.292 -25.585 -12.112 315 HB2 ARG 39 2HB ARG 39 -7.657 -27.620 -13.535 316 HB3 ARG 39 1HB ARG 39 -7.486 -27.969 -11.812 317 HG2 ARG 39 2HG ARG 39 -9.949 -28.050 -11.590 318 HG3 ARG 39 1HG ARG 39 -10.110 -27.728 -13.317 319 HD2 ARG 39 2HD ARG 39 -8.297 -29.956 -12.706 320 HD3 ARG 39 1HD ARG 39 -9.954 -30.237 -12.182 321 HE ARG 39 HE ARG 39 -9.035 -30.282 -14.863 322 HH11 ARG 39 1HH2 ARG 39 -11.625 -29.148 -12.868 323 HH12 ARG 39 2HH2 ARG 39 -12.811 -29.217 -14.129 324 HH21 ARG 39 1HH1 ARG 39 -10.583 -30.377 -16.521 325 HH22 ARG 39 2HH1 ARG 39 -12.221 -29.913 -16.198 326 H GLU 40 H GLU 40 -7.226 -25.109 -14.367 327 HA GLU 40 HA GLU 40 -9.386 -23.461 -15.241 328 HB2 GLU 40 2HB GLU 40 -7.847 -23.770 -17.469 329 HB3 GLU 40 1HB GLU 40 -7.507 -22.610 -16.184 330 HG2 GLU 40 2HG GLU 40 -6.503 -25.438 -15.972 331 HG3 GLU 40 1HG GLU 40 -5.620 -24.259 -16.936 332 HA PRO 41 HA PRO 41 -11.857 -26.295 -17.515 333 HB2 PRO 41 2HB PRO 41 -12.538 -24.774 -19.702 334 HB3 PRO 41 1HB PRO 41 -13.251 -24.567 -18.091 335 HG2 PRO 41 2HG PRO 41 -11.101 -23.001 -19.423 336 HG3 PRO 41 1HG PRO 41 -12.429 -22.447 -18.389 337 HD2 PRO 41 2HD PRO 41 -9.886 -22.708 -17.469 338 HD3 PRO 41 1HD PRO 41 -11.311 -22.952 -16.435 339 H GLY 42 H GLY 42 -8.814 -25.806 -18.271 340 HA2 GLY 42 2HA GLY 42 -7.316 -26.742 -19.746 341 HA3 GLY 42 1HA GLY 42 -8.598 -27.873 -20.168 342 H ALA 43 H ALA 43 -9.241 -24.503 -20.536 343 HA ALA 43 HA ALA 43 -9.611 -23.186 -22.380 344 HB1 ALA 43 1HB ALA 43 -7.801 -22.956 -23.713 345 HB2 ALA 43 2HB ALA 43 -7.818 -24.656 -24.182 346 HB3 ALA 43 3HB ALA 43 -7.064 -24.167 -22.665 347 H VAL 44 H VAL 44 -10.879 -25.966 -22.008 348 HA VAL 44 HA VAL 44 -12.199 -27.450 -23.202 349 HB VAL 44 HB VAL 44 -13.003 -24.935 -24.669 350 HG11 VAL 44 1HG1 VAL 44 -14.985 -26.882 -23.668 351 HG12 VAL 44 2HG1 VAL 44 -13.904 -27.512 -24.906 352 HG13 VAL 44 3HG1 VAL 44 -14.885 -26.085 -25.237 353 HG21 VAL 44 3HG2 VAL 44 -13.850 -25.886 -21.914 354 HG22 VAL 44 1HG2 VAL 44 -14.510 -24.492 -22.772 355 HG23 VAL 44 2HG2 VAL 44 -12.829 -24.485 -22.237 356 H SER 45 H SER 45 -12.980 -26.246 -26.038 357 HA SER 45 HA SER 45 -10.927 -27.800 -27.449 358 HB2 SER 45 2HB SER 45 -13.647 -27.780 -27.708 359 HB3 SER 45 1HB SER 45 -13.168 -26.678 -28.995 360 HG SER 45 HG SER 45 -13.220 -28.991 -29.521 361 H TYR 46 H TYR 46 -10.223 -26.945 -29.601 362 HA TYR 46 HA TYR 46 -9.912 -24.004 -29.534 363 HB2 TYR 46 2HB TYR 46 -7.863 -25.567 -28.963 364 HB3 TYR 46 1HB TYR 46 -7.790 -25.748 -30.716 365 HD1 TYR 46 1HD TYR 46 -7.959 -23.515 -32.103 366 HD2 TYR 46 2HD TYR 46 -6.821 -23.724 -27.966 367 HE1 TYR 46 1HE TYR 46 -6.868 -21.295 -32.290 368 HE2 TYR 46 2HE TYR 46 -5.730 -21.506 -28.154 369 HH TYR 46 HH TYR 46 -6.278 -19.395 -30.647 Start of MODEL 6 1 H ALA 1 1HT ALA 1 -3.121 28.198 12.686 2 HA ALA 1 HA ALA 1 -4.310 26.311 13.845 3 HB1 ALA 1 2HB ALA 1 -6.012 26.370 12.236 4 HB2 ALA 1 3HB ALA 1 -4.871 26.377 10.892 5 HB3 ALA 1 1HB ALA 1 -5.097 27.831 11.865 6 H SER 2 H SER 2 -2.335 25.570 11.018 7 HA SER 2 HA SER 2 -1.460 23.594 10.232 8 HB2 SER 2 2HB SER 2 -2.126 22.095 12.702 9 HB3 SER 2 1HB SER 2 -0.606 22.197 11.819 10 HG SER 2 HG SER 2 -1.131 23.402 14.015 11 H LYS 3 H LYS 3 -4.600 24.100 10.782 12 HA LYS 3 HA LYS 3 -5.814 21.559 10.702 13 HB2 LYS 3 2HB LYS 3 -6.805 23.996 11.017 14 HB3 LYS 3 1HB LYS 3 -7.067 23.866 9.277 15 HG2 LYS 3 2HG LYS 3 -8.205 21.657 9.686 16 HG3 LYS 3 1HG LYS 3 -8.088 21.979 11.417 17 HD2 LYS 3 2HD LYS 3 -9.162 24.327 10.524 18 HD3 LYS 3 1HD LYS 3 -9.883 23.176 9.398 19 HE2 LYS 3 2HE LYS 3 -11.395 23.206 11.212 20 HE3 LYS 3 1HE LYS 3 -10.424 21.763 11.498 21 HZ1 LYS 3 3HZ LYS 3 -10.317 22.768 13.530 22 HZ2 LYS 3 1HZ LYS 3 -10.382 24.340 12.895 23 HZ3 LYS 3 2HZ LYS 3 -8.940 23.446 12.800 24 H GLU 4 H GLU 4 -4.887 23.784 8.086 25 HA GLU 4 HA GLU 4 -5.836 22.266 5.932 26 HB2 GLU 4 2HB GLU 4 -3.823 23.463 4.731 27 HB3 GLU 4 1HB GLU 4 -5.196 24.405 5.314 28 HG2 GLU 4 2HG GLU 4 -4.010 25.311 7.073 29 HG3 GLU 4 1HG GLU 4 -2.950 23.911 7.216 30 H LEU 5 H LEU 5 -2.709 22.189 7.608 31 HA LEU 5 HA LEU 5 -1.456 20.311 5.912 32 HB2 LEU 5 2HB LEU 5 -1.013 21.211 8.745 33 HB3 LEU 5 1HB LEU 5 -0.090 19.858 8.088 34 HG LEU 5 HG LEU 5 -0.296 22.372 6.470 35 HD11 LEU 5 1HD1 LEU 5 0.307 23.168 8.717 36 HD12 LEU 5 2HD1 LEU 5 1.702 23.263 7.640 37 HD13 LEU 5 3HD1 LEU 5 1.584 21.954 8.817 38 HD21 LEU 5 3HD2 LEU 5 1.603 21.541 5.432 39 HD22 LEU 5 1HD2 LEU 5 0.866 20.026 5.952 40 HD23 LEU 5 2HD2 LEU 5 2.176 20.737 6.893 41 H GLU 6 H GLU 6 -3.229 19.904 8.973 42 HA GLU 6 HA GLU 6 -2.947 17.138 9.236 43 HB2 GLU 6 2HB GLU 6 -4.981 19.128 10.171 44 HB3 GLU 6 1HB GLU 6 -5.293 17.406 10.394 45 HG2 GLU 6 2HG GLU 6 -2.706 18.717 11.250 46 HG3 GLU 6 1HG GLU 6 -4.096 18.568 12.323 47 H LEU 7 H LEU 7 -5.207 19.039 7.316 48 HA LEU 7 HA LEU 7 -6.904 16.871 6.582 49 HB2 LEU 7 2HB LEU 7 -6.416 19.619 5.455 50 HB3 LEU 7 1HB LEU 7 -7.509 18.488 4.665 51 HG LEU 7 HG LEU 7 -7.814 18.904 7.615 52 HD11 LEU 7 1HD1 LEU 7 -9.509 20.787 6.788 53 HD12 LEU 7 2HD1 LEU 7 -8.325 20.952 5.493 54 HD13 LEU 7 3HD1 LEU 7 -7.833 21.176 7.172 55 HD21 LEU 7 3HD2 LEU 7 -9.158 17.404 5.792 56 HD22 LEU 7 1HD2 LEU 7 -10.090 18.899 5.704 57 HD23 LEU 7 2HD2 LEU 7 -9.911 18.057 7.241 58 H ILE 8 H ILE 8 -4.194 18.491 4.942 59 HA ILE 8 HA ILE 8 -4.235 16.926 2.595 60 HB ILE 8 HB ILE 8 -1.963 18.384 3.963 61 HG12 ILE 8 2HG1 ILE 8 -3.439 19.162 1.448 62 HG13 ILE 8 1HG1 ILE 8 -4.066 19.600 3.038 63 HG21 ILE 8 1HG2 ILE 8 -1.035 18.269 1.539 64 HG22 ILE 8 2HG2 ILE 8 -2.146 16.915 1.336 65 HG23 ILE 8 3HG2 ILE 8 -0.874 16.836 2.556 66 HD11 ILE 8 3HD1 ILE 8 -2.310 21.040 3.490 67 HD12 ILE 8 1HD1 ILE 8 -2.404 21.216 1.737 68 HD13 ILE 8 2HD1 ILE 8 -1.186 20.161 2.454 69 H THR 9 H THR 9 -2.596 16.489 5.703 70 HA THR 9 HA THR 9 -1.010 14.274 4.987 71 HB THR 9 HB THR 9 -2.219 14.932 7.689 72 HG1 THR 9 1HG THR 9 -0.217 15.977 7.990 73 HG21 THR 9 3HG2 THR 9 -0.207 12.951 6.717 74 HG22 THR 9 1HG2 THR 9 -1.364 12.823 8.041 75 HG23 THR 9 2HG2 THR 9 0.117 13.757 8.252 76 H LEU 10 H LEU 10 -4.248 14.436 6.467 77 HA LEU 10 HA LEU 10 -4.697 11.697 6.749 78 HB2 LEU 10 2HB LEU 10 -6.279 14.126 6.820 79 HB3 LEU 10 1HB LEU 10 -7.173 12.818 6.050 80 HG LEU 10 HG LEU 10 -6.636 11.337 7.976 81 HD11 LEU 10 1HD1 LEU 10 -4.973 13.676 8.673 82 HD12 LEU 10 2HD1 LEU 10 -4.792 11.987 9.140 83 HD13 LEU 10 3HD1 LEU 10 -5.915 13.027 10.015 84 HD21 LEU 10 3HD2 LEU 10 -8.182 13.870 8.204 85 HD22 LEU 10 1HD2 LEU 10 -7.893 12.984 9.702 86 HD23 LEU 10 2HD2 LEU 10 -8.727 12.199 8.361 87 H THR 11 H THR 11 -5.351 13.830 3.985 88 HA THR 11 HA THR 11 -6.633 11.986 2.323 89 HB THR 11 HB THR 11 -4.796 14.278 1.594 90 HG1 THR 11 1HG THR 11 -7.587 13.984 1.942 91 HG21 THR 11 3HG2 THR 11 -6.606 12.509 -0.045 92 HG22 THR 11 1HG2 THR 11 -4.923 12.936 -0.350 93 HG23 THR 11 2HG2 THR 11 -6.193 14.141 -0.568 94 H VAL 12 H VAL 12 -3.163 12.793 2.509 95 HA VAL 12 HA VAL 12 -2.246 10.989 0.580 96 HB VAL 12 HB VAL 12 -0.930 12.066 3.078 97 HG11 VAL 12 1HG1 VAL 12 0.042 10.161 0.977 98 HG12 VAL 12 2HG1 VAL 12 0.388 10.187 2.705 99 HG13 VAL 12 3HG1 VAL 12 1.170 11.348 1.633 100 HG21 VAL 12 3HG2 VAL 12 -0.244 13.803 1.761 101 HG22 VAL 12 1HG2 VAL 12 -1.631 13.346 0.773 102 HG23 VAL 12 2HG2 VAL 12 -0.018 12.769 0.350 103 H GLY 13 H GLY 13 -2.738 10.544 4.070 104 HA2 GLY 13 2HA GLY 13 -1.729 7.933 4.282 105 HA3 GLY 13 1HA GLY 13 -2.935 8.644 5.350 106 H PHE 14 H PHE 14 -5.015 9.088 3.565 107 HA PHE 14 HA PHE 14 -6.219 6.527 3.470 108 HB2 PHE 14 2HB PHE 14 -7.460 8.692 3.691 109 HB3 PHE 14 1HB PHE 14 -7.080 9.029 2.003 110 HD1 PHE 14 2HD PHE 14 -8.435 6.207 4.082 111 HD2 PHE 14 1HD PHE 14 -8.682 8.432 0.412 112 HE1 PHE 14 2HE PHE 14 -10.367 4.827 3.373 113 HE2 PHE 14 1HE PHE 14 -10.616 7.051 -0.292 114 HZ PHE 14 HZ PHE 14 -11.458 5.248 1.188 115 H GLY 15 H GLY 15 -4.726 8.575 1.001 116 HA2 GLY 15 2HA GLY 15 -5.418 7.056 -1.264 117 HA3 GLY 15 1HA GLY 15 -4.022 8.122 -1.143 118 H ILE 16 H ILE 16 -2.630 6.851 0.921 119 HA ILE 16 HA ILE 16 -1.294 4.787 -0.518 120 HB ILE 16 HB ILE 16 -1.075 5.607 2.389 121 HG12 ILE 16 2HG1 ILE 16 0.847 6.255 0.157 122 HG13 ILE 16 1HG1 ILE 16 -0.561 7.276 0.453 123 HG21 ILE 16 1HG2 ILE 16 0.664 3.858 0.623 124 HG22 ILE 16 2HG2 ILE 16 -0.173 3.374 2.098 125 HG23 ILE 16 3HG2 ILE 16 1.179 4.499 2.183 126 HD11 ILE 16 3HD1 ILE 16 1.549 6.564 2.512 127 HD12 ILE 16 1HD1 ILE 16 0.152 7.604 2.785 128 HD13 ILE 16 2HD1 ILE 16 1.423 8.109 1.673 129 H LEU 17 H LEU 17 -3.560 4.816 2.205 130 HA LEU 17 HA LEU 17 -3.436 2.120 2.909 131 HB2 LEU 17 2HB LEU 17 -4.894 4.288 3.744 132 HB3 LEU 17 1HB LEU 17 -6.135 3.297 2.981 133 HG LEU 17 HG LEU 17 -4.173 2.306 5.077 134 HD11 LEU 17 1HD1 LEU 17 -5.565 3.409 6.481 135 HD12 LEU 17 2HD1 LEU 17 -6.691 2.096 6.137 136 HD13 LEU 17 3HD1 LEU 17 -6.804 3.612 5.242 137 HD21 LEU 17 3HD2 LEU 17 -6.314 1.037 3.403 138 HD22 LEU 17 1HD2 LEU 17 -6.105 0.471 5.059 139 HD23 LEU 17 2HD2 LEU 17 -4.762 0.382 3.921 140 H ILE 18 H ILE 18 -5.298 3.738 0.381 141 HA ILE 18 HA ILE 18 -6.854 1.494 -0.389 142 HB ILE 18 HB ILE 18 -5.965 3.926 -1.947 143 HG12 ILE 18 2HG1 ILE 18 -8.740 3.360 -0.936 144 HG13 ILE 18 1HG1 ILE 18 -7.531 3.994 0.179 145 HG21 ILE 18 1HG2 ILE 18 -6.674 2.721 -3.740 146 HG22 ILE 18 2HG2 ILE 18 -8.291 3.012 -3.101 147 HG23 ILE 18 3HG2 ILE 18 -7.456 1.506 -2.730 148 HD11 ILE 18 3HD1 ILE 18 -7.693 5.365 -2.448 149 HD12 ILE 18 1HD1 ILE 18 -7.479 6.040 -0.833 150 HD13 ILE 18 2HD1 ILE 18 -9.086 5.574 -1.388 151 H PHE 19 H PHE 19 -3.873 2.870 -1.790 152 HA PHE 19 HA PHE 19 -3.491 0.878 -3.753 153 HB2 PHE 19 2HB PHE 19 -1.879 3.007 -2.515 154 HB3 PHE 19 1HB PHE 19 -0.939 1.647 -3.131 155 HD1 PHE 19 1HD PHE 19 -3.698 3.989 -4.091 156 HD2 PHE 19 2HD PHE 19 -0.481 1.476 -5.427 157 HE1 PHE 19 1HE PHE 19 -4.010 4.820 -6.407 158 HE2 PHE 19 2HE PHE 19 -0.793 2.307 -7.743 159 HZ PHE 19 HZ PHE 19 -2.557 3.979 -8.232 160 H SER 20 H SER 20 -2.483 1.043 -0.368 161 HA SER 20 HA SER 20 -0.787 -1.206 -0.353 162 HB2 SER 20 2HB SER 20 -0.545 -0.026 1.597 163 HB3 SER 20 1HB SER 20 -2.256 0.382 1.689 164 HG SER 20 HG SER 20 -0.881 -1.778 2.688 165 H LEU 21 H LEU 21 -4.272 -0.880 0.241 166 HA LEU 21 HA LEU 21 -4.745 -3.565 0.955 167 HB2 LEU 21 2HB LEU 21 -6.362 -1.726 1.342 168 HB3 LEU 21 1HB LEU 21 -6.632 -1.613 -0.391 169 HG LEU 21 HG LEU 21 -7.376 -4.000 -0.404 170 HD11 LEU 21 1HD1 LEU 21 -6.598 -3.728 2.464 171 HD12 LEU 21 2HD1 LEU 21 -6.471 -5.118 1.389 172 HD13 LEU 21 3HD1 LEU 21 -8.026 -4.693 2.100 173 HD21 LEU 21 3HD2 LEU 21 -9.045 -2.229 -0.231 174 HD22 LEU 21 1HD2 LEU 21 -8.828 -2.163 1.518 175 HD23 LEU 21 2HD2 LEU 21 -9.526 -3.599 0.769 176 H ILE 22 H ILE 22 -5.026 -1.891 -2.169 177 HA ILE 22 HA ILE 22 -5.893 -4.092 -3.686 178 HB ILE 22 HB ILE 22 -4.219 -1.709 -4.518 179 HG12 ILE 22 2HG1 ILE 22 -7.184 -2.221 -4.869 180 HG13 ILE 22 1HG1 ILE 22 -6.521 -1.313 -3.509 181 HG21 ILE 22 1HG2 ILE 22 -5.262 -4.057 -5.983 182 HG22 ILE 22 2HG2 ILE 22 -3.951 -2.956 -6.406 183 HG23 ILE 22 3HG2 ILE 22 -5.624 -2.497 -6.724 184 HD11 ILE 22 3HD1 ILE 22 -5.564 0.338 -4.997 185 HD12 ILE 22 1HD1 ILE 22 -7.261 0.135 -5.432 186 HD13 ILE 22 2HD1 ILE 22 -6.003 -0.617 -6.412 187 H VAL 23 H VAL 23 -2.707 -3.155 -2.584 188 HA VAL 23 HA VAL 23 -1.257 -4.932 -4.304 189 HB VAL 23 HB VAL 23 -0.496 -3.451 -1.783 190 HG11 VAL 23 1HG1 VAL 23 1.005 -5.414 -3.491 191 HG12 VAL 23 2HG1 VAL 23 1.015 -5.228 -1.738 192 HG13 VAL 23 3HG1 VAL 23 1.873 -4.068 -2.751 193 HG21 VAL 23 3HG2 VAL 23 -0.866 -2.592 -4.403 194 HG22 VAL 23 1HG2 VAL 23 0.875 -2.869 -4.307 195 HG23 VAL 23 2HG2 VAL 23 0.093 -1.763 -3.176 196 H THR 24 H THR 24 -2.112 -4.991 -0.844 197 HA THR 24 HA THR 24 -1.056 -7.553 -0.300 198 HB THR 24 HB THR 24 -3.272 -5.979 1.025 199 HG1 THR 24 1HG THR 24 -0.613 -6.547 1.816 200 HG21 THR 24 3HG2 THR 24 -3.717 -8.232 1.617 201 HG22 THR 24 1HG2 THR 24 -2.757 -7.596 2.952 202 HG23 THR 24 2HG2 THR 24 -2.001 -8.622 1.734 203 H TYR 25 H TYR 25 -4.104 -6.471 -1.657 204 HA TYR 25 HA TYR 25 -5.538 -8.916 -1.372 205 HB2 TYR 25 2HB TYR 25 -6.705 -6.840 -1.854 206 HB3 TYR 25 1HB TYR 25 -5.838 -6.671 -3.380 207 HD1 TYR 25 2HD TYR 25 -7.984 -9.137 -1.534 208 HD2 TYR 25 1HD TYR 25 -6.823 -7.499 -5.333 209 HE1 TYR 25 2HE TYR 25 -9.695 -10.533 -2.662 210 HE2 TYR 25 1HE TYR 25 -8.534 -8.894 -6.458 211 HH TYR 25 HH TYR 25 -11.043 -10.254 -5.004 212 H CYS 26 H CYS 26 -3.619 -7.557 -4.048 213 HA CYS 26 HA CYS 26 -4.008 -9.609 -5.907 214 HB2 CYS 26 2HB CYS 26 -1.606 -7.824 -5.456 215 HB3 CYS 26 1HB CYS 26 -1.831 -8.851 -6.873 216 HG CYS 26 HG CYS 26 -3.000 -6.159 -6.640 217 H ILE 27 H ILE 27 -1.577 -9.269 -3.341 218 HA ILE 27 HA ILE 27 -0.078 -11.578 -3.944 219 HB ILE 27 HB ILE 27 -0.554 -10.163 -1.311 220 HG12 ILE 27 2HG1 ILE 27 1.870 -10.139 -3.125 221 HG13 ILE 27 1HG1 ILE 27 0.579 -8.943 -3.247 222 HG21 ILE 27 1HG2 ILE 27 0.239 -12.216 -0.574 223 HG22 ILE 27 2HG2 ILE 27 1.762 -11.388 -0.898 224 HG23 ILE 27 3HG2 ILE 27 1.113 -12.534 -2.071 225 HD11 ILE 27 3HD1 ILE 27 2.763 -8.681 -1.620 226 HD12 ILE 27 1HD1 ILE 27 1.589 -9.386 -0.508 227 HD13 ILE 27 2HD1 ILE 27 1.218 -7.876 -1.342 228 H ASN 28 H ASN 28 -2.757 -11.105 -1.638 229 HA ASN 28 HA ASN 28 -2.898 -13.750 -0.710 230 HB2 ASN 28 2HB ASN 28 -4.868 -11.490 -0.865 231 HB3 ASN 28 1HB ASN 28 -5.389 -13.083 -0.321 232 HD21 ASN 28 1HD2 ASN 28 -4.595 -10.255 1.010 233 HD22 ASN 28 2HD2 ASN 28 -3.742 -10.767 2.385 234 H ALA 29 H ALA 29 -4.569 -12.155 -3.411 235 HA ALA 29 HA ALA 29 -6.241 -14.234 -4.200 236 HB1 ALA 29 1HB ALA 29 -5.498 -11.732 -5.215 237 HB2 ALA 29 2HB ALA 29 -6.745 -12.803 -5.853 238 HB3 ALA 29 3HB ALA 29 -5.104 -12.880 -6.494 239 H LYS 30 H LYS 30 -2.915 -13.540 -5.287 240 HA LYS 30 HA LYS 30 -2.680 -15.777 -6.990 241 HB2 LYS 30 2HB LYS 30 -0.541 -14.231 -5.512 242 HB3 LYS 30 1HB LYS 30 -0.240 -15.375 -6.821 243 HG2 LYS 30 2HG LYS 30 -2.277 -13.354 -7.467 244 HG3 LYS 30 1HG LYS 30 -0.677 -12.676 -7.163 245 HD2 LYS 30 2HD LYS 30 0.314 -14.186 -8.810 246 HD3 LYS 30 1HD LYS 30 -1.247 -14.961 -9.073 247 HE2 LYS 30 2HE LYS 30 -1.464 -12.082 -9.367 248 HE3 LYS 30 1HE LYS 30 -0.233 -12.735 -10.449 249 HZ1 LYS 30 3HZ LYS 30 -2.504 -12.737 -11.394 250 HZ2 LYS 30 1HZ LYS 30 -2.976 -13.835 -10.191 251 HZ3 LYS 30 2HZ LYS 30 -1.799 -14.281 -11.331 252 H ALA 31 H ALA 31 -1.868 -15.306 -3.583 253 HA ALA 31 HA ALA 31 -0.687 -17.853 -3.169 254 HB1 ALA 31 1HB ALA 31 -0.719 -15.675 -1.676 255 HB2 ALA 31 2HB ALA 31 -0.568 -17.271 -0.941 256 HB3 ALA 31 3HB ALA 31 -2.131 -16.456 -0.963 257 H ASP 32 H ASP 32 -3.989 -16.655 -2.883 258 HA ASP 32 HA ASP 32 -5.172 -18.858 -1.656 259 HB2 ASP 32 2HB ASP 32 -6.306 -16.931 -3.682 260 HB3 ASP 32 1HB ASP 32 -7.273 -18.089 -2.777 261 H VAL 33 H VAL 33 -4.577 -18.203 -5.079 262 HA VAL 33 HA VAL 33 -5.798 -20.612 -6.003 263 HB VAL 33 HB VAL 33 -3.905 -18.644 -7.285 264 HG11 VAL 33 1HG1 VAL 33 -3.412 -20.673 -8.414 265 HG12 VAL 33 2HG1 VAL 33 -4.625 -19.890 -9.424 266 HG13 VAL 33 3HG1 VAL 33 -5.090 -21.209 -8.352 267 HG21 VAL 33 3HG2 VAL 33 -6.867 -19.252 -7.535 268 HG22 VAL 33 1HG2 VAL 33 -5.993 -18.237 -8.682 269 HG23 VAL 33 2HG2 VAL 33 -6.119 -17.751 -6.992 270 H LEU 34 H LEU 34 -2.450 -19.640 -5.445 271 HA LEU 34 HA LEU 34 -1.078 -21.807 -6.378 272 HB2 LEU 34 2HB LEU 34 -0.622 -20.041 -4.009 273 HB3 LEU 34 1HB LEU 34 0.466 -21.390 -4.330 274 HG LEU 34 HG LEU 34 -0.218 -19.554 -6.594 275 HD11 LEU 34 1HD1 LEU 34 1.997 -18.340 -5.735 276 HD12 LEU 34 2HD1 LEU 34 1.382 -18.854 -4.165 277 HD13 LEU 34 3HD1 LEU 34 0.403 -17.818 -5.203 278 HD21 LEU 34 3HD2 LEU 34 1.804 -20.332 -7.470 279 HD22 LEU 34 1HD2 LEU 34 1.263 -21.735 -6.547 280 HD23 LEU 34 2HD2 LEU 34 2.485 -20.656 -5.876 281 H PHE 35 H PHE 35 -2.876 -21.533 -3.404 282 HA PHE 35 HA PHE 35 -2.712 -24.494 -3.135 283 HB2 PHE 35 2HB PHE 35 -2.390 -22.471 -0.901 284 HB3 PHE 35 1HB PHE 35 -2.593 -24.206 -0.656 285 HD1 PHE 35 1HD PHE 35 -0.869 -25.802 -1.488 286 HD2 PHE 35 2HD PHE 35 -0.305 -21.547 -1.660 287 HE1 PHE 35 1HE PHE 35 1.561 -26.139 -1.854 288 HE2 PHE 35 2HE PHE 35 2.125 -21.883 -2.026 289 HZ PHE 35 HZ PHE 35 3.057 -24.180 -2.123 290 H ILE 36 H ILE 36 -4.815 -24.124 -4.291 291 HA ILE 36 HA ILE 36 -7.115 -23.212 -4.080 292 HB ILE 36 HB ILE 36 -6.959 -25.881 -2.672 293 HG12 ILE 36 2HG1 ILE 36 -5.556 -26.099 -4.614 294 HG13 ILE 36 1HG1 ILE 36 -7.114 -26.803 -5.045 295 HG21 ILE 36 1HG2 ILE 36 -8.999 -25.316 -4.731 296 HG22 ILE 36 2HG2 ILE 36 -9.126 -24.315 -3.288 297 HG23 ILE 36 3HG2 ILE 36 -9.182 -26.070 -3.150 298 HD11 ILE 36 3HD1 ILE 36 -5.986 -24.118 -5.847 299 HD12 ILE 36 1HD1 ILE 36 -7.713 -24.465 -5.955 300 HD13 ILE 36 2HD1 ILE 36 -6.561 -25.417 -6.889 301 H ALA 37 H ALA 37 -6.430 -21.534 -2.401 302 HA ALA 37 HA ALA 37 -7.615 -22.215 0.216 303 HB1 ALA 37 1HB ALA 37 -6.225 -19.819 0.511 304 HB2 ALA 37 2HB ALA 37 -5.185 -20.852 -0.468 305 HB3 ALA 37 3HB ALA 37 -5.758 -21.413 1.099 306 HA PRO 38 HA PRO 38 -10.735 -19.476 -1.823 307 HB2 PRO 38 2HB PRO 38 -12.232 -20.515 0.538 308 HB3 PRO 38 1HB PRO 38 -12.738 -20.405 -1.159 309 HG2 PRO 38 2HG PRO 38 -12.063 -22.734 -0.062 310 HG3 PRO 38 1HG PRO 38 -11.660 -22.348 -1.745 311 HD2 PRO 38 2HD PRO 38 -9.885 -22.418 0.651 312 HD3 PRO 38 1HD PRO 38 -9.529 -22.807 -1.044 313 H ARG 39 H ARG 39 -12.110 -17.705 -0.813 314 HA ARG 39 HA ARG 39 -10.666 -16.484 1.465 315 HB2 ARG 39 2HB ARG 39 -11.294 -14.306 0.517 316 HB3 ARG 39 1HB ARG 39 -10.351 -15.252 -0.636 317 HG2 ARG 39 2HG ARG 39 -12.630 -16.073 -1.534 318 HG3 ARG 39 1HG ARG 39 -13.321 -14.725 -0.631 319 HD2 ARG 39 2HD ARG 39 -12.927 -13.653 -2.635 320 HD3 ARG 39 1HD ARG 39 -11.368 -13.384 -1.860 321 HE ARG 39 HE ARG 39 -11.331 -15.841 -3.286 322 HH11 ARG 39 1HH2 ARG 39 -11.364 -12.406 -3.703 323 HH12 ARG 39 2HH2 ARG 39 -10.520 -12.444 -5.215 324 HH21 ARG 39 1HH1 ARG 39 -10.223 -15.898 -5.267 325 HH22 ARG 39 2HH1 ARG 39 -9.873 -14.420 -6.100 326 H GLU 40 H GLU 40 -11.823 -15.714 3.161 327 HA GLU 40 HA GLU 40 -14.210 -16.773 3.912 328 HB2 GLU 40 2HB GLU 40 -14.388 -14.344 5.139 329 HB3 GLU 40 1HB GLU 40 -13.347 -15.657 5.697 330 HG2 GLU 40 2HG GLU 40 -11.432 -14.708 4.730 331 HG3 GLU 40 1HG GLU 40 -12.370 -13.712 3.617 332 HA PRO 41 HA PRO 41 -17.471 -14.960 1.582 333 HB2 PRO 41 2HB PRO 41 -19.365 -14.518 3.529 334 HB3 PRO 41 1HB PRO 41 -19.021 -16.103 2.817 335 HG2 PRO 41 2HG PRO 41 -18.078 -14.944 5.394 336 HG3 PRO 41 1HG PRO 41 -18.611 -16.594 5.026 337 HD2 PRO 41 2HD PRO 41 -15.998 -15.970 5.251 338 HD3 PRO 41 1HD PRO 41 -16.565 -17.194 4.097 339 H GLY 42 H GLY 42 -18.212 -13.262 4.537 340 HA2 GLY 42 2HA GLY 42 -18.351 -11.016 5.056 341 HA3 GLY 42 1HA GLY 42 -16.918 -10.814 4.051 342 H ALA 43 H ALA 43 -19.197 -12.269 2.161 343 HA ALA 43 HA ALA 43 -20.580 -11.560 0.470 344 HB1 ALA 43 1HB ALA 43 -21.515 -10.272 2.636 345 HB2 ALA 43 2HB ALA 43 -22.178 -10.021 1.021 346 HB3 ALA 43 3HB ALA 43 -21.005 -8.881 1.680 347 H VAL 44 H VAL 44 -17.684 -10.954 0.519 348 HA VAL 44 HA VAL 44 -17.361 -8.374 -0.735 349 HB VAL 44 HB VAL 44 -15.455 -10.716 -0.497 350 HG11 VAL 44 1HG1 VAL 44 -15.065 -7.837 -1.364 351 HG12 VAL 44 2HG1 VAL 44 -14.775 -9.284 -2.329 352 HG13 VAL 44 3HG1 VAL 44 -13.740 -8.924 -0.949 353 HG21 VAL 44 3HG2 VAL 44 -14.439 -9.097 1.236 354 HG22 VAL 44 1HG2 VAL 44 -15.922 -9.933 1.698 355 HG23 VAL 44 2HG2 VAL 44 -15.985 -8.251 1.170 356 H SER 45 H SER 45 -16.661 -11.675 -1.911 357 HA SER 45 HA SER 45 -17.052 -10.738 -4.661 358 HB2 SER 45 2HB SER 45 -16.180 -13.490 -3.789 359 HB3 SER 45 1HB SER 45 -15.937 -12.719 -5.353 360 HG SER 45 HG SER 45 -14.729 -12.136 -2.862 361 H TYR 46 H TYR 46 -19.436 -10.600 -3.631 362 HA TYR 46 HA TYR 46 -20.820 -13.036 -4.576 363 HB2 TYR 46 2HB TYR 46 -21.108 -13.184 -2.246 364 HB3 TYR 46 1HB TYR 46 -21.312 -11.440 -2.071 365 HD1 TYR 46 2HD TYR 46 -22.889 -14.479 -3.564 366 HD2 TYR 46 1HD TYR 46 -23.455 -10.454 -2.174 367 HE1 TYR 46 2HE TYR 46 -25.343 -14.737 -3.818 368 HE2 TYR 46 1HE TYR 46 -25.909 -10.712 -2.428 369 HH TYR 46 HH TYR 46 -27.506 -12.046 -3.582 Start of MODEL 7 1 H ALA 1 1HT ALA 1 -5.869 28.484 9.859 2 HA ALA 1 HA ALA 1 -5.353 26.997 12.101 3 HB1 ALA 1 2HB ALA 1 -7.524 26.524 11.728 4 HB2 ALA 1 3HB ALA 1 -7.129 25.659 10.243 5 HB3 ALA 1 1HB ALA 1 -7.392 27.403 10.205 6 H SER 2 H SER 2 -3.959 25.395 12.471 7 HA SER 2 HA SER 2 -2.427 24.082 10.529 8 HB2 SER 2 2HB SER 2 -2.808 23.927 13.396 9 HB3 SER 2 1HB SER 2 -2.603 22.323 12.700 10 HG SER 2 HG SER 2 -0.839 23.662 11.469 11 H LYS 3 H LYS 3 -5.686 23.799 11.049 12 HA LYS 3 HA LYS 3 -6.150 21.021 10.846 13 HB2 LYS 3 2HB LYS 3 -7.855 23.339 9.901 14 HB3 LYS 3 1HB LYS 3 -8.405 21.672 10.073 15 HG2 LYS 3 2HG LYS 3 -7.786 21.757 12.490 16 HG3 LYS 3 1HG LYS 3 -7.361 23.457 12.291 17 HD2 LYS 3 2HD LYS 3 -9.592 24.095 11.876 18 HD3 LYS 3 1HD LYS 3 -10.086 22.446 11.491 19 HE2 LYS 3 2HE LYS 3 -10.006 21.771 13.763 20 HE3 LYS 3 1HE LYS 3 -9.078 23.196 14.237 21 HZ1 LYS 3 3HZ LYS 3 -11.241 24.335 13.193 22 HZ2 LYS 3 1HZ LYS 3 -11.096 23.946 14.836 23 HZ3 LYS 3 2HZ LYS 3 -11.931 22.901 13.788 24 H GLU 4 H GLU 4 -5.559 23.517 8.431 25 HA GLU 4 HA GLU 4 -6.281 22.049 6.134 26 HB2 GLU 4 2HB GLU 4 -4.315 24.300 6.569 27 HB3 GLU 4 1HB GLU 4 -4.657 23.627 4.975 28 HG2 GLU 4 2HG GLU 4 -7.006 24.197 5.174 29 HG3 GLU 4 1HG GLU 4 -6.779 24.712 6.846 30 H LEU 5 H LEU 5 -3.069 22.548 7.613 31 HA LEU 5 HA LEU 5 -1.614 20.889 5.895 32 HB2 LEU 5 2HB LEU 5 -1.221 21.805 8.726 33 HB3 LEU 5 1HB LEU 5 -0.118 20.622 8.022 34 HG LEU 5 HG LEU 5 0.358 22.154 6.158 35 HD11 LEU 5 1HD1 LEU 5 -1.659 23.892 7.593 36 HD12 LEU 5 2HD1 LEU 5 -1.698 23.346 5.916 37 HD13 LEU 5 3HD1 LEU 5 -0.510 24.545 6.427 38 HD21 LEU 5 3HD2 LEU 5 1.821 22.360 8.061 39 HD22 LEU 5 1HD2 LEU 5 0.632 23.323 8.941 40 HD23 LEU 5 2HD2 LEU 5 1.439 23.997 7.526 41 H GLU 6 H GLU 6 -3.451 20.132 8.816 42 HA GLU 6 HA GLU 6 -2.614 17.420 9.023 43 HB2 GLU 6 2HB GLU 6 -3.569 18.432 10.959 44 HB3 GLU 6 1HB GLU 6 -5.021 18.908 10.079 45 HG2 GLU 6 2HG GLU 6 -5.806 16.684 9.934 46 HG3 GLU 6 1HG GLU 6 -4.224 16.010 10.324 47 H LEU 7 H LEU 7 -5.444 18.977 7.539 48 HA LEU 7 HA LEU 7 -6.831 16.691 6.747 49 HB2 LEU 7 2HB LEU 7 -6.667 19.495 5.702 50 HB3 LEU 7 1HB LEU 7 -7.548 18.278 4.779 51 HG LEU 7 HG LEU 7 -8.072 18.457 7.716 52 HD11 LEU 7 1HD1 LEU 7 -9.829 20.190 7.231 53 HD12 LEU 7 2HD1 LEU 7 -9.110 20.401 5.635 54 HD13 LEU 7 3HD1 LEU 7 -8.180 20.794 7.079 55 HD21 LEU 7 3HD2 LEU 7 -9.048 16.826 5.873 56 HD22 LEU 7 1HD2 LEU 7 -10.106 18.194 5.524 57 HD23 LEU 7 2HD2 LEU 7 -10.101 17.471 7.133 58 H ILE 8 H ILE 8 -4.251 18.474 5.077 59 HA ILE 8 HA ILE 8 -4.256 16.936 2.705 60 HB ILE 8 HB ILE 8 -2.055 18.520 4.045 61 HG12 ILE 8 2HG1 ILE 8 -3.532 19.255 1.532 62 HG13 ILE 8 1HG1 ILE 8 -4.284 19.555 3.099 63 HG21 ILE 8 1HG2 ILE 8 -2.195 17.110 1.375 64 HG22 ILE 8 2HG2 ILE 8 -0.935 16.994 2.605 65 HG23 ILE 8 3HG2 ILE 8 -1.107 18.469 1.654 66 HD11 ILE 8 3HD1 ILE 8 -1.444 20.413 2.689 67 HD12 ILE 8 1HD1 ILE 8 -2.688 21.119 3.722 68 HD13 ILE 8 2HD1 ILE 8 -2.732 21.389 1.980 69 H THR 9 H THR 9 -2.360 16.652 5.701 70 HA THR 9 HA THR 9 -0.756 14.482 4.924 71 HB THR 9 HB THR 9 -1.788 15.190 7.683 72 HG1 THR 9 1HG THR 9 -0.495 16.803 7.398 73 HG21 THR 9 3HG2 THR 9 0.262 13.964 8.428 74 HG22 THR 9 1HG2 THR 9 0.512 13.443 6.763 75 HG23 THR 9 2HG2 THR 9 -0.921 12.915 7.649 76 H LEU 10 H LEU 10 -3.982 14.593 6.373 77 HA LEU 10 HA LEU 10 -4.245 11.800 6.796 78 HB2 LEU 10 2HB LEU 10 -5.683 13.501 7.886 79 HB3 LEU 10 1HB LEU 10 -6.425 13.847 6.323 80 HG LEU 10 HG LEU 10 -6.479 11.014 6.709 81 HD11 LEU 10 1HD1 LEU 10 -7.693 12.574 9.006 82 HD12 LEU 10 2HD1 LEU 10 -6.236 11.587 9.127 83 HD13 LEU 10 3HD1 LEU 10 -7.784 10.832 8.752 84 HD21 LEU 10 3HD2 LEU 10 -8.655 13.130 6.806 85 HD22 LEU 10 1HD2 LEU 10 -8.921 11.403 6.559 86 HD23 LEU 10 2HD2 LEU 10 -8.048 12.343 5.348 87 H THR 11 H THR 11 -5.136 13.927 4.103 88 HA THR 11 HA THR 11 -6.516 12.049 2.542 89 HB THR 11 HB THR 11 -4.844 14.427 1.697 90 HG1 THR 11 1HG THR 11 -7.615 14.024 2.139 91 HG21 THR 11 3HG2 THR 11 -6.651 12.555 0.182 92 HG22 THR 11 1HG2 THR 11 -5.052 13.150 -0.264 93 HG23 THR 11 2HG2 THR 11 -6.447 14.228 -0.340 94 H VAL 12 H VAL 12 -3.068 12.766 2.815 95 HA VAL 12 HA VAL 12 -2.207 11.129 0.662 96 HB VAL 12 HB VAL 12 -0.754 12.026 3.162 97 HG11 VAL 12 1HG1 VAL 12 0.014 10.297 0.893 98 HG12 VAL 12 2HG1 VAL 12 0.737 10.439 2.495 99 HG13 VAL 12 3HG1 VAL 12 1.145 11.606 1.237 100 HG21 VAL 12 3HG2 VAL 12 -0.262 13.094 0.410 101 HG22 VAL 12 1HG2 VAL 12 -0.116 13.906 1.969 102 HG23 VAL 12 2HG2 VAL 12 -1.710 13.637 1.260 103 H GLY 13 H GLY 13 -2.504 10.538 4.157 104 HA2 GLY 13 2HA GLY 13 -1.479 7.922 4.197 105 HA3 GLY 13 1HA GLY 13 -2.617 8.583 5.368 106 H PHE 14 H PHE 14 -4.738 9.142 3.551 107 HA PHE 14 HA PHE 14 -6.036 6.616 3.506 108 HB2 PHE 14 2HB PHE 14 -7.275 8.723 3.731 109 HB3 PHE 14 1HB PHE 14 -6.779 9.198 2.106 110 HD1 PHE 14 2HD PHE 14 -8.577 6.510 3.986 111 HD2 PHE 14 1HD PHE 14 -8.022 8.513 0.226 112 HE1 PHE 14 2HE PHE 14 -10.487 5.249 3.032 113 HE2 PHE 14 1HE PHE 14 -9.932 7.251 -0.727 114 HZ PHE 14 HZ PHE 14 -11.165 5.619 0.675 115 H GLY 15 H GLY 15 -4.617 8.637 0.949 116 HA2 GLY 15 2HA GLY 15 -5.335 7.057 -1.256 117 HA3 GLY 15 1HA GLY 15 -3.942 8.134 -1.192 118 H ILE 16 H ILE 16 -2.583 6.851 0.954 119 HA ILE 16 HA ILE 16 -1.163 4.846 -0.478 120 HB ILE 16 HB ILE 16 -1.097 5.733 2.408 121 HG12 ILE 16 2HG1 ILE 16 0.938 6.017 0.176 122 HG13 ILE 16 1HG1 ILE 16 -0.256 7.256 0.566 123 HG21 ILE 16 1HG2 ILE 16 0.340 3.510 0.982 124 HG22 ILE 16 2HG2 ILE 16 -0.329 3.533 2.611 125 HG23 ILE 16 3HG2 ILE 16 1.170 4.394 2.264 126 HD11 ILE 16 3HD1 ILE 16 1.074 6.383 2.978 127 HD12 ILE 16 1HD1 ILE 16 1.008 8.001 2.276 128 HD13 ILE 16 2HD1 ILE 16 2.270 6.873 1.778 129 H LEU 17 H LEU 17 -3.489 4.738 2.202 130 HA LEU 17 HA LEU 17 -3.393 2.014 2.771 131 HB2 LEU 17 2HB LEU 17 -5.101 4.227 3.388 132 HB3 LEU 17 1HB LEU 17 -6.105 2.846 2.947 133 HG LEU 17 HG LEU 17 -3.834 2.732 4.952 134 HD11 LEU 17 1HD1 LEU 17 -5.453 4.028 6.043 135 HD12 LEU 17 2HD1 LEU 17 -5.889 2.389 6.525 136 HD13 LEU 17 3HD1 LEU 17 -6.791 3.202 5.246 137 HD21 LEU 17 3HD2 LEU 17 -4.102 0.501 4.794 138 HD22 LEU 17 1HD2 LEU 17 -5.329 0.730 3.548 139 HD23 LEU 17 2HD2 LEU 17 -5.797 0.677 5.247 140 H ILE 18 H ILE 18 -5.201 3.753 0.274 141 HA ILE 18 HA ILE 18 -6.743 1.570 -0.654 142 HB ILE 18 HB ILE 18 -5.718 3.996 -2.137 143 HG12 ILE 18 2HG1 ILE 18 -8.462 3.482 -0.960 144 HG13 ILE 18 1HG1 ILE 18 -7.191 4.315 -0.067 145 HG21 ILE 18 1HG2 ILE 18 -7.510 1.729 -2.884 146 HG22 ILE 18 2HG2 ILE 18 -6.429 2.685 -3.898 147 HG23 ILE 18 3HG2 ILE 18 -7.991 3.343 -3.407 148 HD11 ILE 18 3HD1 ILE 18 -7.422 5.424 -2.729 149 HD12 ILE 18 1HD1 ILE 18 -7.596 6.232 -1.170 150 HD13 ILE 18 2HD1 ILE 18 -8.987 5.450 -1.919 151 H PHE 19 H PHE 19 -3.695 2.935 -1.914 152 HA PHE 19 HA PHE 19 -3.261 1.019 -3.925 153 HB2 PHE 19 2HB PHE 19 -1.917 3.240 -3.003 154 HB3 PHE 19 1HB PHE 19 -0.813 1.925 -2.596 155 HD1 PHE 19 2HD PHE 19 -2.617 3.616 -5.348 156 HD2 PHE 19 1HD PHE 19 0.269 0.608 -4.311 157 HE1 PHE 19 2HE PHE 19 -1.931 3.455 -7.726 158 HE2 PHE 19 1HE PHE 19 0.955 0.446 -6.688 159 HZ PHE 19 HZ PHE 19 -0.146 1.870 -8.396 160 H SER 20 H SER 20 -2.202 1.041 -0.532 161 HA SER 20 HA SER 20 -0.705 -1.338 -0.593 162 HB2 SER 20 2HB SER 20 -1.153 0.531 1.293 163 HB3 SER 20 1HB SER 20 -2.239 -0.729 1.874 164 HG SER 20 HG SER 20 -0.264 -2.124 1.418 165 H LEU 21 H LEU 21 -4.154 -0.753 -0.129 166 HA LEU 21 HA LEU 21 -4.890 -3.353 0.679 167 HB2 LEU 21 2HB LEU 21 -6.366 -1.377 0.858 168 HB3 LEU 21 1HB LEU 21 -6.512 -1.344 -0.898 169 HG LEU 21 HG LEU 21 -7.056 -4.009 0.054 170 HD11 LEU 21 1HD1 LEU 21 -8.615 -1.761 1.360 171 HD12 LEU 21 2HD1 LEU 21 -7.719 -3.049 2.165 172 HD13 LEU 21 3HD1 LEU 21 -9.190 -3.426 1.271 173 HD21 LEU 21 3HD2 LEU 21 -9.220 -3.563 -1.110 174 HD22 LEU 21 1HD2 LEU 21 -7.823 -3.110 -2.087 175 HD23 LEU 21 2HD2 LEU 21 -8.761 -1.867 -1.258 176 H ILE 22 H ILE 22 -4.990 -1.835 -2.547 177 HA ILE 22 HA ILE 22 -5.839 -4.096 -3.970 178 HB ILE 22 HB ILE 22 -4.052 -1.840 -4.908 179 HG12 ILE 22 2HG1 ILE 22 -7.046 -2.164 -5.223 180 HG13 ILE 22 1HG1 ILE 22 -6.321 -1.248 -3.902 181 HG21 ILE 22 1HG2 ILE 22 -5.434 -4.115 -6.277 182 HG22 ILE 22 2HG2 ILE 22 -3.879 -3.368 -6.640 183 HG23 ILE 22 3HG2 ILE 22 -5.374 -2.558 -7.105 184 HD11 ILE 22 3HD1 ILE 22 -5.709 0.479 -5.260 185 HD12 ILE 22 1HD1 ILE 22 -6.979 -0.155 -6.308 186 HD13 ILE 22 2HD1 ILE 22 -5.295 -0.592 -6.599 187 H VAL 23 H VAL 23 -2.673 -3.160 -2.827 188 HA VAL 23 HA VAL 23 -1.186 -5.031 -4.395 189 HB VAL 23 HB VAL 23 -0.523 -3.484 -1.884 190 HG11 VAL 23 1HG1 VAL 23 0.888 -5.366 -1.725 191 HG12 VAL 23 2HG1 VAL 23 1.872 -4.191 -2.595 192 HG13 VAL 23 3HG1 VAL 23 1.068 -5.491 -3.474 193 HG21 VAL 23 3HG2 VAL 23 0.967 -3.074 -4.395 194 HG22 VAL 23 1HG2 VAL 23 0.268 -1.884 -3.298 195 HG23 VAL 23 2HG2 VAL 23 -0.745 -2.668 -4.508 196 H THR 24 H THR 24 -2.267 -4.983 -1.004 197 HA THR 24 HA THR 24 -1.277 -7.553 -0.347 198 HB THR 24 HB THR 24 -3.515 -5.919 0.872 199 HG1 THR 24 1HG THR 24 -0.969 -5.552 0.848 200 HG21 THR 24 3HG2 THR 24 -2.885 -7.475 2.875 201 HG22 THR 24 1HG2 THR 24 -2.272 -8.552 1.621 202 HG23 THR 24 2HG2 THR 24 -3.973 -8.085 1.629 203 H TYR 25 H TYR 25 -4.224 -6.417 -1.854 204 HA TYR 25 HA TYR 25 -5.765 -8.788 -1.535 205 HB2 TYR 25 2HB TYR 25 -6.862 -6.735 -2.151 206 HB3 TYR 25 1HB TYR 25 -5.881 -6.593 -3.610 207 HD1 TYR 25 1HD TYR 25 -6.165 -8.232 -5.475 208 HD2 TYR 25 2HD TYR 25 -8.775 -8.183 -2.064 209 HE1 TYR 25 1HE TYR 25 -7.816 -9.600 -6.719 210 HE2 TYR 25 2HE TYR 25 -10.427 -9.553 -3.308 211 HH TYR 25 HH TYR 25 -10.385 -9.950 -6.585 212 H CYS 26 H CYS 26 -3.745 -7.621 -4.230 213 HA CYS 26 HA CYS 26 -4.136 -9.807 -5.946 214 HB2 CYS 26 2HB CYS 26 -1.846 -7.867 -5.626 215 HB3 CYS 26 1HB CYS 26 -1.871 -9.103 -6.883 216 HG CYS 26 HG CYS 26 -3.151 -7.361 -8.129 217 H ILE 27 H ILE 27 -1.646 -9.229 -3.474 218 HA ILE 27 HA ILE 27 -0.130 -11.549 -3.890 219 HB ILE 27 HB ILE 27 -0.629 -9.868 -1.436 220 HG12 ILE 27 2HG1 ILE 27 1.954 -10.265 -2.937 221 HG13 ILE 27 1HG1 ILE 27 0.739 -9.138 -3.541 222 HG21 ILE 27 1HG2 ILE 27 1.496 -11.161 -0.637 223 HG22 ILE 27 2HG2 ILE 27 0.969 -12.397 -1.779 224 HG23 ILE 27 3HG2 ILE 27 -0.082 -11.924 -0.444 225 HD11 ILE 27 3HD1 ILE 27 0.770 -7.913 -1.428 226 HD12 ILE 27 1HD1 ILE 27 2.411 -8.025 -2.065 227 HD13 ILE 27 2HD1 ILE 27 1.906 -9.077 -0.743 228 H ASN 28 H ASN 28 -3.001 -10.998 -1.885 229 HA ASN 28 HA ASN 28 -3.034 -13.601 -0.725 230 HB2 ASN 28 2HB ASN 28 -5.188 -11.505 -1.065 231 HB3 ASN 28 1HB ASN 28 -5.413 -13.004 -0.164 232 HD21 ASN 28 1HD2 ASN 28 -5.261 -10.067 0.757 233 HD22 ASN 28 2HD2 ASN 28 -4.088 -10.088 1.984 234 H ALA 29 H ALA 29 -4.607 -12.147 -3.546 235 HA ALA 29 HA ALA 29 -6.328 -14.222 -4.248 236 HB1 ALA 29 1HB ALA 29 -6.146 -13.346 -6.560 237 HB2 ALA 29 2HB ALA 29 -4.777 -12.354 -6.055 238 HB3 ALA 29 3HB ALA 29 -6.377 -12.060 -5.376 239 H LYS 30 H LYS 30 -2.878 -13.811 -4.899 240 HA LYS 30 HA LYS 30 -2.672 -16.120 -6.582 241 HB2 LYS 30 2HB LYS 30 -0.562 -14.529 -5.111 242 HB3 LYS 30 1HB LYS 30 -0.224 -15.794 -6.294 243 HG2 LYS 30 2HG LYS 30 -1.622 -14.497 -7.951 244 HG3 LYS 30 1HG LYS 30 -1.678 -13.183 -6.775 245 HD2 LYS 30 2HD LYS 30 0.768 -13.032 -6.784 246 HD3 LYS 30 1HD LYS 30 0.864 -14.390 -7.906 247 HE2 LYS 30 2HE LYS 30 -0.712 -12.914 -9.402 248 HE3 LYS 30 1HE LYS 30 -0.108 -11.590 -8.406 249 HZ1 LYS 30 3HZ LYS 30 1.191 -12.050 -10.471 250 HZ2 LYS 30 1HZ LYS 30 1.661 -13.527 -9.783 251 HZ3 LYS 30 2HZ LYS 30 2.105 -12.067 -9.037 252 H ALA 31 H ALA 31 -1.932 -15.445 -3.191 253 HA ALA 31 HA ALA 31 -0.808 -17.909 -2.498 254 HB1 ALA 31 1HB ALA 31 -0.622 -16.254 -0.855 255 HB2 ALA 31 2HB ALA 31 -1.835 -17.339 -0.177 256 HB3 ALA 31 3HB ALA 31 -2.332 -15.833 -0.947 257 H ASP 32 H ASP 32 -4.122 -17.005 -3.067 258 HA ASP 32 HA ASP 32 -5.451 -19.085 -1.732 259 HB2 ASP 32 2HB ASP 32 -6.185 -17.636 -4.282 260 HB3 ASP 32 1HB ASP 32 -7.275 -18.685 -3.380 261 H VAL 33 H VAL 33 -3.416 -19.145 -4.482 262 HA VAL 33 HA VAL 33 -4.486 -21.722 -5.392 263 HB VAL 33 HB VAL 33 -2.332 -19.962 -6.588 264 HG11 VAL 33 1HG1 VAL 33 -3.253 -21.580 -8.583 265 HG12 VAL 33 2HG1 VAL 33 -3.368 -22.669 -7.200 266 HG13 VAL 33 3HG1 VAL 33 -1.821 -21.933 -7.617 267 HG21 VAL 33 3HG2 VAL 33 -4.043 -18.754 -7.416 268 HG22 VAL 33 1HG2 VAL 33 -5.209 -19.815 -6.624 269 HG23 VAL 33 2HG2 VAL 33 -4.624 -20.199 -8.243 270 H LEU 34 H LEU 34 -2.436 -20.719 -3.077 271 HA LEU 34 HA LEU 34 -0.479 -22.865 -3.517 272 HB2 LEU 34 2HB LEU 34 -0.416 -20.324 -1.922 273 HB3 LEU 34 1HB LEU 34 0.673 -21.653 -1.532 274 HG LEU 34 HG LEU 34 1.507 -21.656 -3.861 275 HD11 LEU 34 1HD1 LEU 34 -0.151 -20.871 -5.264 276 HD12 LEU 34 2HD1 LEU 34 0.804 -19.398 -5.091 277 HD13 LEU 34 3HD1 LEU 34 -0.659 -19.618 -4.134 278 HD21 LEU 34 3HD2 LEU 34 2.695 -20.287 -2.225 279 HD22 LEU 34 1HD2 LEU 34 1.561 -18.958 -2.470 280 HD23 LEU 34 2HD2 LEU 34 2.656 -19.434 -3.768 281 H PHE 35 H PHE 35 -2.966 -21.721 -1.356 282 HA PHE 35 HA PHE 35 -2.773 -24.238 0.133 283 HB2 PHE 35 2HB PHE 35 -3.330 -21.540 1.384 284 HB3 PHE 35 1HB PHE 35 -3.186 -23.087 2.218 285 HD1 PHE 35 1HD PHE 35 -1.005 -24.214 2.431 286 HD2 PHE 35 2HD PHE 35 -1.372 -20.363 0.561 287 HE1 PHE 35 1HE PHE 35 1.448 -23.896 2.607 288 HE2 PHE 35 2HE PHE 35 1.081 -20.046 0.739 289 HZ PHE 35 HZ PHE 35 2.491 -21.811 1.761 290 H ILE 36 H ILE 36 -4.909 -23.531 1.851 291 HA ILE 36 HA ILE 36 -7.133 -23.914 -0.006 292 HB ILE 36 HB ILE 36 -7.168 -24.166 3.010 293 HG12 ILE 36 2HG1 ILE 36 -7.232 -26.715 2.059 294 HG13 ILE 36 1HG1 ILE 36 -6.165 -25.962 0.876 295 HG21 ILE 36 1HG2 ILE 36 -9.184 -24.332 0.944 296 HG22 ILE 36 2HG2 ILE 36 -9.375 -24.475 2.690 297 HG23 ILE 36 3HG2 ILE 36 -8.998 -25.901 1.727 298 HD11 ILE 36 3HD1 ILE 36 -5.793 -26.228 3.851 299 HD12 ILE 36 1HD1 ILE 36 -4.971 -24.942 2.964 300 HD13 ILE 36 2HD1 ILE 36 -4.668 -26.631 2.554 301 H ALA 37 H ALA 37 -5.688 -21.343 1.057 302 HA ALA 37 HA ALA 37 -7.310 -19.711 2.521 303 HB1 ALA 37 1HB ALA 37 -5.238 -19.319 0.581 304 HB2 ALA 37 2HB ALA 37 -5.735 -18.250 1.893 305 HB3 ALA 37 3HB ALA 37 -6.509 -18.126 0.312 306 HA PRO 38 HA PRO 38 -11.248 -18.798 0.811 307 HB2 PRO 38 2HB PRO 38 -10.253 -16.093 0.035 308 HB3 PRO 38 1HB PRO 38 -11.700 -16.540 0.949 309 HG2 PRO 38 2HG PRO 38 -9.443 -15.566 2.096 310 HG3 PRO 38 1HG PRO 38 -10.586 -16.638 2.920 311 HD2 PRO 38 2HD PRO 38 -7.858 -17.205 2.034 312 HD3 PRO 38 1HD PRO 38 -8.904 -18.144 3.118 313 H ARG 39 H ARG 39 -11.990 -19.534 -1.094 314 HA ARG 39 HA ARG 39 -10.378 -19.703 -3.425 315 HB2 ARG 39 2HB ARG 39 -13.338 -20.116 -2.978 316 HB3 ARG 39 1HB ARG 39 -12.532 -20.436 -4.514 317 HG2 ARG 39 2HG ARG 39 -11.321 -22.232 -3.665 318 HG3 ARG 39 1HG ARG 39 -11.399 -21.633 -2.009 319 HD2 ARG 39 2HD ARG 39 -13.485 -22.526 -1.636 320 HD3 ARG 39 1HD ARG 39 -13.986 -22.329 -3.313 321 HE ARG 39 HE ARG 39 -12.827 -24.668 -2.173 322 HH11 ARG 39 1HH2 ARG 39 -12.873 -22.674 -5.001 323 HH12 ARG 39 2HH2 ARG 39 -12.473 -23.965 -6.085 324 HH21 ARG 39 1HH1 ARG 39 -12.303 -26.365 -3.588 325 HH22 ARG 39 2HH1 ARG 39 -12.151 -26.054 -5.286 326 H GLU 40 H GLU 40 -10.764 -18.732 -5.492 327 HA GLU 40 HA GLU 40 -11.743 -15.973 -5.237 328 HB2 GLU 40 2HB GLU 40 -10.442 -16.252 -7.705 329 HB3 GLU 40 1HB GLU 40 -9.806 -15.479 -6.252 330 HG2 GLU 40 2HG GLU 40 -8.883 -17.603 -5.482 331 HG3 GLU 40 1HG GLU 40 -9.597 -18.438 -6.863 332 HA PRO 41 HA PRO 41 -15.224 -16.209 -7.891 333 HB2 PRO 41 2HB PRO 41 -13.697 -14.700 -9.963 334 HB3 PRO 41 1HB PRO 41 -15.306 -14.377 -9.294 335 HG2 PRO 41 2HG PRO 41 -13.088 -13.003 -8.574 336 HG3 PRO 41 1HG PRO 41 -14.481 -13.245 -7.510 337 HD2 PRO 41 2HD PRO 41 -11.790 -14.383 -7.302 338 HD3 PRO 41 1HD PRO 41 -13.088 -14.330 -6.093 339 H GLY 42 H GLY 42 -12.145 -17.243 -8.946 340 HA2 GLY 42 2HA GLY 42 -11.906 -19.431 -9.963 341 HA3 GLY 42 1HA GLY 42 -13.399 -19.128 -10.847 342 H ALA 43 H ALA 43 -12.905 -16.536 -11.764 343 HA ALA 43 HA ALA 43 -10.380 -16.599 -13.231 344 HB1 ALA 43 1HB ALA 43 -13.052 -16.583 -14.658 345 HB2 ALA 43 2HB ALA 43 -11.914 -17.930 -14.634 346 HB3 ALA 43 3HB ALA 43 -11.469 -16.415 -15.418 347 H VAL 44 H VAL 44 -9.584 -14.602 -13.261 348 HA VAL 44 HA VAL 44 -10.817 -12.363 -12.188 349 HB VAL 44 HB VAL 44 -8.676 -12.399 -14.331 350 HG11 VAL 44 1HG1 VAL 44 -8.754 -10.157 -14.146 351 HG12 VAL 44 2HG1 VAL 44 -8.349 -10.310 -12.437 352 HG13 VAL 44 3HG1 VAL 44 -10.038 -10.273 -12.943 353 HG21 VAL 44 3HG2 VAL 44 -8.709 -13.134 -11.478 354 HG22 VAL 44 1HG2 VAL 44 -7.460 -11.962 -11.898 355 HG23 VAL 44 2HG2 VAL 44 -7.520 -13.519 -12.724 356 H SER 45 H SER 45 -10.193 -12.843 -15.675 357 HA SER 45 HA SER 45 -12.345 -10.954 -16.288 358 HB2 SER 45 2HB SER 45 -11.036 -10.413 -18.022 359 HB3 SER 45 1HB SER 45 -9.859 -11.608 -17.486 360 HG SER 45 HG SER 45 -12.094 -12.021 -19.190 361 H TYR 46 H TYR 46 -14.193 -11.483 -17.386 362 HA TYR 46 HA TYR 46 -14.851 -14.340 -17.469 363 HB2 TYR 46 2HB TYR 46 -17.125 -12.970 -18.214 364 HB3 TYR 46 1HB TYR 46 -16.734 -13.483 -16.574 365 HD1 TYR 46 2HD TYR 46 -16.022 -10.692 -18.978 366 HD2 TYR 46 1HD TYR 46 -16.589 -11.870 -14.886 367 HE1 TYR 46 2HE TYR 46 -15.864 -8.320 -18.273 368 HE2 TYR 46 1HE TYR 46 -16.432 -9.497 -14.181 369 HH TYR 46 HH TYR 46 -16.901 -7.021 -15.955 Start of MODEL 8 1 H ALA 1 1HT ALA 1 -5.143 27.082 8.689 2 HA ALA 1 HA ALA 1 -3.405 27.752 10.995 3 HB1 ALA 1 2HB ALA 1 -5.066 27.224 12.445 4 HB2 ALA 1 3HB ALA 1 -5.641 25.899 11.435 5 HB3 ALA 1 1HB ALA 1 -6.157 27.550 11.097 6 H SER 2 H SER 2 -3.084 25.478 12.134 7 HA SER 2 HA SER 2 -1.577 23.878 10.368 8 HB2 SER 2 2HB SER 2 -1.690 24.107 13.058 9 HB3 SER 2 1HB SER 2 -2.596 22.611 12.846 10 HG SER 2 HG SER 2 0.053 23.231 12.090 11 H LYS 3 H LYS 3 -4.918 24.042 10.871 12 HA LYS 3 HA LYS 3 -5.731 21.370 10.582 13 HB2 LYS 3 2HB LYS 3 -7.151 23.438 11.138 14 HB3 LYS 3 1HB LYS 3 -7.222 23.705 9.396 15 HG2 LYS 3 2HG LYS 3 -8.088 21.370 9.126 16 HG3 LYS 3 1HG LYS 3 -8.142 21.229 10.884 17 HD2 LYS 3 2HD LYS 3 -9.534 23.455 10.737 18 HD3 LYS 3 1HD LYS 3 -9.812 22.946 9.072 19 HE2 LYS 3 2HE LYS 3 -11.613 21.984 10.256 20 HE3 LYS 3 1HE LYS 3 -10.463 20.657 10.095 21 HZ1 LYS 3 3HZ LYS 3 -11.232 20.762 12.345 22 HZ2 LYS 3 1HZ LYS 3 -10.833 22.406 12.465 23 HZ3 LYS 3 2HZ LYS 3 -9.603 21.244 12.312 24 H GLU 4 H GLU 4 -4.682 23.755 8.230 25 HA GLU 4 HA GLU 4 -5.603 22.525 5.881 26 HB2 GLU 4 2HB GLU 4 -4.721 24.785 5.849 27 HB3 GLU 4 1HB GLU 4 -3.132 24.209 6.356 28 HG2 GLU 4 2HG GLU 4 -2.718 23.155 4.297 29 HG3 GLU 4 1HG GLU 4 -4.426 23.126 3.862 30 H LEU 5 H LEU 5 -2.390 22.286 7.426 31 HA LEU 5 HA LEU 5 -1.364 20.327 5.676 32 HB2 LEU 5 2HB LEU 5 -0.658 21.169 8.481 33 HB3 LEU 5 1HB LEU 5 0.195 19.854 7.672 34 HG LEU 5 HG LEU 5 -0.150 22.321 6.069 35 HD11 LEU 5 1HD1 LEU 5 1.736 22.204 8.443 36 HD12 LEU 5 2HD1 LEU 5 0.339 23.272 8.293 37 HD13 LEU 5 3HD1 LEU 5 1.718 23.467 7.210 38 HD21 LEU 5 3HD2 LEU 5 1.146 20.200 5.464 39 HD22 LEU 5 1HD2 LEU 5 2.326 20.689 6.679 40 HD23 LEU 5 2HD2 LEU 5 2.028 21.717 5.278 41 H GLU 6 H GLU 6 -3.279 20.106 8.618 42 HA GLU 6 HA GLU 6 -2.965 17.383 9.187 43 HB2 GLU 6 2HB GLU 6 -4.223 19.261 10.490 44 HB3 GLU 6 1HB GLU 6 -5.613 18.759 9.527 45 HG2 GLU 6 2HG GLU 6 -4.840 16.337 10.292 46 HG3 GLU 6 1HG GLU 6 -4.102 17.237 11.616 47 H LEU 7 H LEU 7 -5.481 18.984 7.224 48 HA LEU 7 HA LEU 7 -6.802 16.646 6.400 49 HB2 LEU 7 2HB LEU 7 -6.530 19.329 5.028 50 HB3 LEU 7 1HB LEU 7 -7.645 18.061 4.519 51 HG LEU 7 HG LEU 7 -7.697 18.858 7.394 52 HD11 LEU 7 1HD1 LEU 7 -8.893 20.515 5.150 53 HD12 LEU 7 2HD1 LEU 7 -7.618 21.031 6.254 54 HD13 LEU 7 3HD1 LEU 7 -9.245 20.729 6.864 55 HD21 LEU 7 3HD2 LEU 7 -9.929 18.329 5.416 56 HD22 LEU 7 1HD2 LEU 7 -10.019 18.278 7.176 57 HD23 LEU 7 2HD2 LEU 7 -9.110 17.044 6.304 58 H ILE 8 H ILE 8 -4.074 18.406 4.986 59 HA ILE 8 HA ILE 8 -3.858 16.995 2.578 60 HB ILE 8 HB ILE 8 -1.738 18.295 4.300 61 HG12 ILE 8 2HG1 ILE 8 -3.734 19.549 3.093 62 HG13 ILE 8 1HG1 ILE 8 -2.098 20.207 3.018 63 HG21 ILE 8 1HG2 ILE 8 -0.491 16.816 2.960 64 HG22 ILE 8 2HG2 ILE 8 -0.516 18.292 1.997 65 HG23 ILE 8 3HG2 ILE 8 -1.606 16.962 1.601 66 HD11 ILE 8 3HD1 ILE 8 -3.113 18.288 0.922 67 HD12 ILE 8 1HD1 ILE 8 -1.747 19.395 0.821 68 HD13 ILE 8 2HD1 ILE 8 -3.394 20.022 0.794 69 H THR 9 H THR 9 -2.281 16.375 5.710 70 HA THR 9 HA THR 9 -0.896 14.049 4.902 71 HB THR 9 HB THR 9 -1.869 14.852 7.654 72 HG1 THR 9 1HG THR 9 0.124 15.780 7.829 73 HG21 THR 9 3HG2 THR 9 -1.299 12.622 7.943 74 HG22 THR 9 1HG2 THR 9 0.272 13.389 8.178 75 HG23 THR 9 2HG2 THR 9 -0.124 12.645 6.628 76 H LEU 10 H LEU 10 -4.088 14.528 6.368 77 HA LEU 10 HA LEU 10 -4.755 11.838 6.798 78 HB2 LEU 10 2HB LEU 10 -6.342 14.340 6.340 79 HB3 LEU 10 1HB LEU 10 -7.166 12.781 6.388 80 HG LEU 10 HG LEU 10 -5.189 13.378 8.547 81 HD11 LEU 10 1HD1 LEU 10 -7.971 14.569 8.359 82 HD12 LEU 10 2HD1 LEU 10 -6.449 15.450 8.488 83 HD13 LEU 10 3HD1 LEU 10 -7.031 14.490 9.849 84 HD21 LEU 10 3HD2 LEU 10 -6.525 11.881 9.786 85 HD22 LEU 10 1HD2 LEU 10 -6.587 11.217 8.153 86 HD23 LEU 10 2HD2 LEU 10 -7.941 12.163 8.773 87 H THR 11 H THR 11 -5.440 13.924 3.986 88 HA THR 11 HA THR 11 -6.765 12.007 2.429 89 HB THR 11 HB THR 11 -5.064 14.360 1.572 90 HG1 THR 11 1HG THR 11 -7.298 15.149 1.223 91 HG21 THR 11 3HG2 THR 11 -6.655 14.097 -0.489 92 HG22 THR 11 1HG2 THR 11 -6.799 12.428 0.060 93 HG23 THR 11 2HG2 THR 11 -5.220 13.078 -0.378 94 H VAL 12 H VAL 12 -3.315 12.827 2.628 95 HA VAL 12 HA VAL 12 -2.392 11.149 0.579 96 HB VAL 12 HB VAL 12 -1.059 12.075 3.131 97 HG11 VAL 12 1HG1 VAL 12 -0.154 10.266 0.953 98 HG12 VAL 12 2HG1 VAL 12 0.375 10.359 2.633 99 HG13 VAL 12 3HG1 VAL 12 0.985 11.517 1.452 100 HG21 VAL 12 3HG2 VAL 12 -0.335 12.987 0.377 101 HG22 VAL 12 1HG2 VAL 12 -0.304 13.880 1.898 102 HG23 VAL 12 2HG2 VAL 12 -1.836 13.596 1.074 103 H GLY 13 H GLY 13 -2.752 10.518 4.066 104 HA2 GLY 13 2HA GLY 13 -1.801 7.873 4.060 105 HA3 GLY 13 1HA GLY 13 -2.903 8.553 5.252 106 H PHE 14 H PHE 14 -5.024 9.207 3.469 107 HA PHE 14 HA PHE 14 -6.483 6.810 3.446 108 HB2 PHE 14 2HB PHE 14 -7.480 9.096 3.413 109 HB3 PHE 14 1HB PHE 14 -6.971 9.255 1.732 110 HD1 PHE 14 2HD PHE 14 -8.787 6.820 3.941 111 HD2 PHE 14 1HD PHE 14 -8.493 8.661 0.072 112 HE1 PHE 14 2HE PHE 14 -10.823 5.606 3.210 113 HE2 PHE 14 1HE PHE 14 -10.529 7.448 -0.660 114 HZ PHE 14 HZ PHE 14 -11.694 5.921 0.908 115 H GLY 15 H GLY 15 -5.008 8.581 0.720 116 HA2 GLY 15 2HA GLY 15 -5.650 6.741 -1.296 117 HA3 GLY 15 1HA GLY 15 -4.297 7.867 -1.349 118 H ILE 16 H ILE 16 -2.809 6.939 0.827 119 HA ILE 16 HA ILE 16 -1.349 4.825 -0.348 120 HB ILE 16 HB ILE 16 -1.326 6.013 2.428 121 HG12 ILE 16 2HG1 ILE 16 0.791 6.118 0.273 122 HG13 ILE 16 1HG1 ILE 16 -0.531 7.285 0.327 123 HG21 ILE 16 1HG2 ILE 16 0.205 3.712 1.247 124 HG22 ILE 16 2HG2 ILE 16 -0.470 3.883 2.867 125 HG23 ILE 16 3HG2 ILE 16 0.989 4.768 2.420 126 HD11 ILE 16 3HD1 ILE 16 1.560 8.042 1.519 127 HD12 ILE 16 1HD1 ILE 16 1.309 6.730 2.669 128 HD13 ILE 16 2HD1 ILE 16 0.118 8.023 2.533 129 H LEU 17 H LEU 17 -3.612 4.894 2.396 130 HA LEU 17 HA LEU 17 -3.412 2.225 3.182 131 HB2 LEU 17 2HB LEU 17 -5.185 4.438 3.668 132 HB3 LEU 17 1HB LEU 17 -6.125 2.962 3.452 133 HG LEU 17 HG LEU 17 -4.688 1.816 5.112 134 HD11 LEU 17 1HD1 LEU 17 -3.474 4.060 6.369 135 HD12 LEU 17 2HD1 LEU 17 -3.048 4.131 4.659 136 HD13 LEU 17 3HD1 LEU 17 -2.673 2.688 5.602 137 HD21 LEU 17 3HD2 LEU 17 -5.303 3.888 6.915 138 HD22 LEU 17 1HD2 LEU 17 -6.325 2.512 6.501 139 HD23 LEU 17 2HD2 LEU 17 -6.491 4.031 5.621 140 H ILE 18 H ILE 18 -5.352 3.711 0.626 141 HA ILE 18 HA ILE 18 -6.849 1.392 -0.043 142 HB ILE 18 HB ILE 18 -6.123 3.852 -1.646 143 HG12 ILE 18 2HG1 ILE 18 -8.830 3.081 -0.565 144 HG13 ILE 18 1HG1 ILE 18 -7.652 3.884 0.475 145 HG21 ILE 18 1HG2 ILE 18 -8.165 3.021 -3.017 146 HG22 ILE 18 2HG2 ILE 18 -7.822 1.448 -2.299 147 HG23 ILE 18 3HG2 ILE 18 -6.608 2.242 -3.301 148 HD11 ILE 18 3HD1 ILE 18 -8.050 5.080 -2.214 149 HD12 ILE 18 1HD1 ILE 18 -7.798 5.869 -0.657 150 HD13 ILE 18 2HD1 ILE 18 -9.393 5.244 -1.081 151 H PHE 19 H PHE 19 -3.987 2.862 -1.590 152 HA PHE 19 HA PHE 19 -3.576 0.892 -3.534 153 HB2 PHE 19 2HB PHE 19 -2.232 3.205 -2.629 154 HB3 PHE 19 1HB PHE 19 -1.055 1.894 -2.580 155 HD1 PHE 19 2HD PHE 19 -3.446 3.718 -4.754 156 HD2 PHE 19 1HD PHE 19 -0.242 0.862 -4.589 157 HE1 PHE 19 2HE PHE 19 -3.232 3.815 -7.222 158 HE2 PHE 19 1HE PHE 19 -0.029 0.959 -7.056 159 HZ PHE 19 HZ PHE 19 -1.523 2.436 -8.374 160 H SER 20 H SER 20 -2.386 1.108 -0.200 161 HA SER 20 HA SER 20 -0.694 -1.136 -0.242 162 HB2 SER 20 2HB SER 20 -0.369 0.043 1.692 163 HB3 SER 20 1HB SER 20 -2.073 0.462 1.850 164 HG SER 20 HG SER 20 -0.672 -1.753 2.747 165 H LEU 21 H LEU 21 -4.164 -0.831 0.365 166 HA LEU 21 HA LEU 21 -4.591 -3.525 1.155 167 HB2 LEU 21 2HB LEU 21 -6.198 -1.686 1.596 168 HB3 LEU 21 1HB LEU 21 -6.545 -1.601 -0.131 169 HG LEU 21 HG LEU 21 -6.730 -4.329 0.911 170 HD11 LEU 21 1HD1 LEU 21 -8.452 -2.135 2.089 171 HD12 LEU 21 2HD1 LEU 21 -7.510 -3.350 2.952 172 HD13 LEU 21 3HD1 LEU 21 -8.953 -3.826 2.057 173 HD21 LEU 21 3HD2 LEU 21 -7.553 -3.473 -1.302 174 HD22 LEU 21 1HD2 LEU 21 -8.765 -2.528 -0.439 175 HD23 LEU 21 2HD2 LEU 21 -8.802 -4.290 -0.363 176 H ILE 22 H ILE 22 -5.124 -1.858 -1.954 177 HA ILE 22 HA ILE 22 -6.010 -4.036 -3.442 178 HB ILE 22 HB ILE 22 -4.317 -1.691 -4.333 179 HG12 ILE 22 2HG1 ILE 22 -7.298 -2.108 -4.629 180 HG13 ILE 22 1HG1 ILE 22 -6.603 -1.296 -3.226 181 HG21 ILE 22 1HG2 ILE 22 -5.367 -4.038 -5.742 182 HG22 ILE 22 2HG2 ILE 22 -4.182 -2.845 -6.277 183 HG23 ILE 22 3HG2 ILE 22 -5.906 -2.515 -6.451 184 HD11 ILE 22 3HD1 ILE 22 -7.185 0.413 -4.822 185 HD12 ILE 22 1HD1 ILE 22 -6.375 -0.455 -6.127 186 HD13 ILE 22 2HD1 ILE 22 -5.429 0.269 -4.827 187 H VAL 23 H VAL 23 -2.786 -3.190 -2.399 188 HA VAL 23 HA VAL 23 -1.412 -4.977 -4.177 189 HB VAL 23 HB VAL 23 -0.559 -3.613 -1.614 190 HG11 VAL 23 1HG1 VAL 23 1.020 -5.278 -1.662 191 HG12 VAL 23 2HG1 VAL 23 1.750 -4.222 -2.871 192 HG13 VAL 23 3HG1 VAL 23 0.776 -5.603 -3.379 193 HG21 VAL 23 3HG2 VAL 23 -0.116 -1.838 -2.936 194 HG22 VAL 23 1HG2 VAL 23 -0.952 -2.672 -4.246 195 HG23 VAL 23 2HG2 VAL 23 0.792 -2.849 -4.060 196 H THR 24 H THR 24 -2.262 -5.089 -0.715 197 HA THR 24 HA THR 24 -1.267 -7.676 -0.212 198 HB THR 24 HB THR 24 -3.570 -6.233 1.124 199 HG1 THR 24 1HG THR 24 -2.026 -5.031 1.839 200 HG21 THR 24 3HG2 THR 24 -3.736 -8.445 1.867 201 HG22 THR 24 1HG2 THR 24 -2.663 -7.730 3.068 202 HG23 THR 24 2HG2 THR 24 -1.997 -8.713 1.764 203 H TYR 25 H TYR 25 -4.299 -6.536 -1.561 204 HA TYR 25 HA TYR 25 -5.751 -8.966 -1.346 205 HB2 TYR 25 2HB TYR 25 -6.999 -6.991 -1.780 206 HB3 TYR 25 1HB TYR 25 -6.001 -6.578 -3.174 207 HD1 TYR 25 2HD TYR 25 -8.043 -9.482 -1.940 208 HD2 TYR 25 1HD TYR 25 -6.890 -7.033 -5.275 209 HE1 TYR 25 2HE TYR 25 -9.566 -10.772 -3.414 210 HE2 TYR 25 1HE TYR 25 -8.412 -8.322 -6.748 211 HH TYR 25 HH TYR 25 -9.681 -10.176 -6.906 212 H CYS 26 H CYS 26 -3.851 -7.558 -4.011 213 HA CYS 26 HA CYS 26 -4.239 -9.581 -5.897 214 HB2 CYS 26 2HB CYS 26 -1.768 -7.889 -5.453 215 HB3 CYS 26 1HB CYS 26 -2.150 -8.786 -6.922 216 HG CYS 26 HG CYS 26 -4.369 -6.840 -6.130 217 H ILE 27 H ILE 27 -1.674 -9.248 -3.446 218 HA ILE 27 HA ILE 27 -0.247 -11.575 -4.047 219 HB ILE 27 HB ILE 27 -0.689 -10.275 -1.347 220 HG12 ILE 27 2HG1 ILE 27 0.342 -9.017 -3.448 221 HG13 ILE 27 1HG1 ILE 27 1.075 -8.850 -1.853 222 HG21 ILE 27 1HG2 ILE 27 1.631 -11.353 -0.973 223 HG22 ILE 27 2HG2 ILE 27 1.234 -12.370 -2.360 224 HG23 ILE 27 3HG2 ILE 27 0.226 -12.416 -0.915 225 HD11 ILE 27 3HD1 ILE 27 2.637 -9.421 -3.839 226 HD12 ILE 27 1HD1 ILE 27 1.942 -11.036 -3.740 227 HD13 ILE 27 2HD1 ILE 27 2.811 -10.368 -2.360 228 H ASN 28 H ASN 28 -2.899 -11.107 -1.711 229 HA ASN 28 HA ASN 28 -3.072 -13.682 -0.704 230 HB2 ASN 28 2HB ASN 28 -5.106 -11.525 -1.167 231 HB3 ASN 28 1HB ASN 28 -5.613 -13.101 -0.564 232 HD21 ASN 28 1HD2 ASN 28 -6.090 -12.421 1.605 233 HD22 ASN 28 2HD2 ASN 28 -4.893 -11.858 2.668 234 H ALA 29 H ALA 29 -4.596 -12.345 -3.624 235 HA ALA 29 HA ALA 29 -6.001 -14.684 -4.360 236 HB1 ALA 29 1HB ALA 29 -5.322 -13.335 -6.727 237 HB2 ALA 29 2HB ALA 29 -5.455 -12.083 -5.494 238 HB3 ALA 29 3HB ALA 29 -6.811 -13.166 -5.797 239 H LYS 30 H LYS 30 -2.800 -13.454 -5.296 240 HA LYS 30 HA LYS 30 -2.139 -15.496 -7.114 241 HB2 LYS 30 2HB LYS 30 -0.392 -13.766 -5.352 242 HB3 LYS 30 1HB LYS 30 0.234 -14.833 -6.607 243 HG2 LYS 30 2HG LYS 30 -1.946 -12.909 -7.324 244 HG3 LYS 30 1HG LYS 30 -0.304 -12.294 -7.146 245 HD2 LYS 30 2HD LYS 30 -0.610 -14.789 -8.733 246 HD3 LYS 30 1HD LYS 30 -1.232 -13.312 -9.468 247 HE2 LYS 30 2HE LYS 30 1.257 -13.927 -9.886 248 HE3 LYS 30 1HE LYS 30 0.877 -12.264 -9.445 249 HZ1 LYS 30 3HZ LYS 30 1.433 -12.745 -7.168 250 HZ2 LYS 30 1HZ LYS 30 2.736 -13.178 -8.163 251 HZ3 LYS 30 2HZ LYS 30 1.713 -14.380 -7.536 252 H ALA 31 H ALA 31 -2.012 -15.343 -3.618 253 HA ALA 31 HA ALA 31 -0.470 -17.782 -3.360 254 HB1 ALA 31 1HB ALA 31 -1.461 -17.403 -0.888 255 HB2 ALA 31 2HB ALA 31 -1.644 -15.768 -1.523 256 HB3 ALA 31 3HB ALA 31 -0.054 -16.531 -1.496 257 H ASP 32 H ASP 32 -3.851 -16.793 -3.143 258 HA ASP 32 HA ASP 32 -4.916 -19.164 -2.073 259 HB2 ASP 32 2HB ASP 32 -6.059 -17.003 -3.831 260 HB3 ASP 32 1HB ASP 32 -7.023 -18.395 -3.341 261 H VAL 33 H VAL 33 -3.913 -18.311 -5.313 262 HA VAL 33 HA VAL 33 -5.242 -20.353 -6.737 263 HB VAL 33 HB VAL 33 -2.622 -18.950 -7.308 264 HG11 VAL 33 1HG1 VAL 33 -4.344 -20.805 -8.966 265 HG12 VAL 33 2HG1 VAL 33 -2.626 -20.963 -8.600 266 HG13 VAL 33 3HG1 VAL 33 -3.182 -19.691 -9.689 267 HG21 VAL 33 3HG2 VAL 33 -3.864 -17.314 -8.336 268 HG22 VAL 33 1HG2 VAL 33 -5.085 -17.838 -7.178 269 HG23 VAL 33 2HG2 VAL 33 -5.125 -18.441 -8.835 270 H LEU 34 H LEU 34 -2.639 -20.467 -4.526 271 HA LEU 34 HA LEU 34 -1.678 -23.047 -5.538 272 HB2 LEU 34 2HB LEU 34 -0.652 -21.058 -3.532 273 HB3 LEU 34 1HB LEU 34 -0.067 -22.721 -3.512 274 HG LEU 34 HG LEU 34 1.323 -21.139 -4.916 275 HD11 LEU 34 1HD1 LEU 34 0.384 -22.969 -6.972 276 HD12 LEU 34 2HD1 LEU 34 0.502 -23.778 -5.410 277 HD13 LEU 34 3HD1 LEU 34 1.912 -22.971 -6.092 278 HD21 LEU 34 3HD2 LEU 34 -0.807 -19.945 -5.752 279 HD22 LEU 34 1HD2 LEU 34 -0.975 -21.297 -6.873 280 HD23 LEU 34 2HD2 LEU 34 0.450 -20.264 -6.946 281 H PHE 35 H PHE 35 -4.119 -21.993 -3.629 282 HA PHE 35 HA PHE 35 -4.126 -24.509 -2.088 283 HB2 PHE 35 2HB PHE 35 -4.668 -21.724 -1.050 284 HB3 PHE 35 1HB PHE 35 -5.213 -23.178 -0.211 285 HD1 PHE 35 1HD PHE 35 -3.346 -25.048 0.095 286 HD2 PHE 35 2HD PHE 35 -2.559 -20.872 -0.534 287 HE1 PHE 35 1HE PHE 35 -1.090 -25.324 1.086 288 HE2 PHE 35 2HE PHE 35 -0.302 -21.149 0.457 289 HZ PHE 35 HZ PHE 35 0.432 -23.374 1.266 290 H ILE 36 H ILE 36 -5.533 -25.191 -3.851 291 HA ILE 36 HA ILE 36 -7.558 -25.253 -5.026 292 HB ILE 36 HB ILE 36 -8.597 -25.290 -2.190 293 HG12 ILE 36 2HG1 ILE 36 -6.651 -26.721 -2.219 294 HG13 ILE 36 1HG1 ILE 36 -8.069 -27.762 -2.327 295 HG21 ILE 36 1HG2 ILE 36 -10.165 -26.956 -3.169 296 HG22 ILE 36 2HG2 ILE 36 -9.428 -26.692 -4.749 297 HG23 ILE 36 3HG2 ILE 36 -10.298 -25.382 -3.952 298 HD11 ILE 36 3HD1 ILE 36 -6.164 -26.966 -4.529 299 HD12 ILE 36 1HD1 ILE 36 -7.771 -27.602 -4.883 300 HD13 ILE 36 2HD1 ILE 36 -6.607 -28.589 -3.999 301 H ALA 37 H ALA 37 -7.101 -22.828 -5.511 302 HA ALA 37 HA ALA 37 -8.254 -20.677 -4.309 303 HB1 ALA 37 1HB ALA 37 -8.909 -20.414 -7.055 304 HB2 ALA 37 2HB ALA 37 -7.404 -21.328 -6.966 305 HB3 ALA 37 3HB ALA 37 -7.519 -19.742 -6.205 306 HA PRO 38 HA PRO 38 -12.621 -21.135 -4.296 307 HB2 PRO 38 2HB PRO 38 -13.489 -18.611 -4.887 308 HB3 PRO 38 1HB PRO 38 -12.761 -19.051 -3.331 309 HG2 PRO 38 2HG PRO 38 -11.545 -17.663 -5.665 310 HG3 PRO 38 1HG PRO 38 -11.324 -17.366 -3.932 311 HD2 PRO 38 2HD PRO 38 -9.502 -18.751 -5.455 312 HD3 PRO 38 1HD PRO 38 -9.724 -19.024 -3.713 313 H ARG 39 H ARG 39 -14.097 -21.942 -5.690 314 HA ARG 39 HA ARG 39 -13.874 -21.181 -8.539 315 HB2 ARG 39 2HB ARG 39 -14.546 -23.372 -9.135 316 HB3 ARG 39 1HB ARG 39 -13.367 -23.592 -7.841 317 HG2 ARG 39 2HG ARG 39 -15.404 -23.557 -6.247 318 HG3 ARG 39 1HG ARG 39 -16.372 -23.821 -7.698 319 HD2 ARG 39 2HD ARG 39 -14.154 -25.590 -6.643 320 HD3 ARG 39 1HD ARG 39 -15.869 -25.981 -6.735 321 HE ARG 39 HE ARG 39 -13.956 -26.105 -8.895 322 HH11 ARG 39 1HH2 ARG 39 -17.270 -25.681 -7.995 323 HH12 ARG 39 2HH2 ARG 39 -17.898 -26.231 -9.512 324 HH21 ARG 39 1HH1 ARG 39 -14.771 -26.830 -10.888 325 HH22 ARG 39 2HH1 ARG 39 -16.481 -26.882 -11.151 326 H GLU 40 H GLU 40 -15.668 -20.532 -9.631 327 HA GLU 40 HA GLU 40 -18.221 -20.504 -8.143 328 HB2 GLU 40 2HB GLU 40 -18.131 -18.312 -9.964 329 HB3 GLU 40 1HB GLU 40 -18.241 -18.266 -8.204 330 HG2 GLU 40 2HG GLU 40 -16.258 -17.038 -8.906 331 HG3 GLU 40 1HG GLU 40 -15.763 -18.510 -8.076 332 HA PRO 41 HA PRO 41 -20.528 -22.210 -11.436 333 HB2 PRO 41 2HB PRO 41 -21.741 -19.534 -11.988 334 HB3 PRO 41 1HB PRO 41 -22.533 -21.096 -11.704 335 HG2 PRO 41 2HG PRO 41 -22.367 -19.148 -9.834 336 HG3 PRO 41 1HG PRO 41 -22.460 -20.873 -9.448 337 HD2 PRO 41 2HD PRO 41 -20.212 -19.019 -9.130 338 HD3 PRO 41 1HD PRO 41 -20.454 -20.629 -8.419 339 H GLY 42 H GLY 42 -19.947 -22.683 -13.487 340 HA2 GLY 42 2HA GLY 42 -19.543 -22.113 -15.775 341 HA3 GLY 42 1HA GLY 42 -18.970 -20.533 -15.248 342 H ALA 43 H ALA 43 -17.313 -21.582 -13.103 343 HA ALA 43 HA ALA 43 -14.881 -21.895 -14.469 344 HB1 ALA 43 1HB ALA 43 -15.645 -22.606 -11.630 345 HB2 ALA 43 2HB ALA 43 -14.907 -21.104 -12.187 346 HB3 ALA 43 3HB ALA 43 -13.989 -22.608 -12.239 347 H VAL 44 H VAL 44 -17.384 -24.084 -14.142 348 HA VAL 44 HA VAL 44 -16.047 -26.533 -13.738 349 HB VAL 44 HB VAL 44 -18.555 -25.965 -15.335 350 HG11 VAL 44 1HG1 VAL 44 -17.471 -28.527 -14.121 351 HG12 VAL 44 2HG1 VAL 44 -17.598 -28.171 -15.844 352 HG13 VAL 44 3HG1 VAL 44 -19.057 -28.351 -14.873 353 HG21 VAL 44 3HG2 VAL 44 -18.026 -25.658 -12.588 354 HG22 VAL 44 1HG2 VAL 44 -18.880 -27.194 -12.726 355 HG23 VAL 44 2HG2 VAL 44 -19.612 -25.720 -13.357 356 H SER 45 H SER 45 -16.641 -24.609 -16.637 357 HA SER 45 HA SER 45 -15.073 -26.559 -18.209 358 HB2 SER 45 2HB SER 45 -16.308 -26.010 -20.068 359 HB3 SER 45 1HB SER 45 -17.516 -25.695 -18.825 360 HG SER 45 HG SER 45 -16.996 -23.524 -18.914 361 H TYR 46 H TYR 46 -13.847 -25.439 -20.066 362 HA TYR 46 HA TYR 46 -12.107 -23.443 -18.847 363 HB2 TYR 46 2HB TYR 46 -11.909 -24.840 -21.526 364 HB3 TYR 46 1HB TYR 46 -10.659 -23.846 -20.779 365 HD1 TYR 46 1HD TYR 46 -9.418 -24.628 -18.821 366 HD2 TYR 46 2HD TYR 46 -12.452 -27.056 -20.650 367 HE1 TYR 46 1HE TYR 46 -8.602 -26.600 -17.556 368 HE2 TYR 46 2HE TYR 46 -11.637 -29.028 -19.385 369 HH TYR 46 HH TYR 46 -10.150 -29.794 -17.936 Start of MODEL 9 1 H ALA 1 1HT ALA 1 -3.782 26.566 10.108 2 HA ALA 1 HA ALA 1 -2.808 26.398 7.650 3 HB1 ALA 1 2HB ALA 1 -0.194 26.270 8.730 4 HB2 ALA 1 3HB ALA 1 -0.853 27.834 9.211 5 HB3 ALA 1 1HB ALA 1 -0.793 27.390 7.505 6 H SER 2 H SER 2 -2.336 25.594 11.028 7 HA SER 2 HA SER 2 -1.191 23.059 10.815 8 HB2 SER 2 2HB SER 2 -1.305 23.513 13.025 9 HB3 SER 2 1HB SER 2 -2.715 24.550 12.831 10 HG SER 2 HG SER 2 -2.897 21.748 12.551 11 H LYS 3 H LYS 3 -4.591 24.047 10.630 12 HA LYS 3 HA LYS 3 -5.692 21.444 10.487 13 HB2 LYS 3 2HB LYS 3 -6.810 23.978 9.270 14 HB3 LYS 3 1HB LYS 3 -7.710 22.529 9.717 15 HG2 LYS 3 2HG LYS 3 -6.710 22.944 12.096 16 HG3 LYS 3 1HG LYS 3 -6.439 24.585 11.507 17 HD2 LYS 3 2HD LYS 3 -8.574 24.854 12.327 18 HD3 LYS 3 1HD LYS 3 -8.976 24.299 10.702 19 HE2 LYS 3 2HE LYS 3 -8.942 21.925 11.663 20 HE3 LYS 3 1HE LYS 3 -8.921 22.683 13.257 21 HZ1 LYS 3 3HZ LYS 3 -10.924 23.982 12.412 22 HZ2 LYS 3 1HZ LYS 3 -11.163 22.350 12.802 23 HZ3 LYS 3 2HZ LYS 3 -11.015 22.820 11.175 24 H GLU 4 H GLU 4 -4.664 23.741 7.982 25 HA GLU 4 HA GLU 4 -5.490 22.295 5.732 26 HB2 GLU 4 2HB GLU 4 -3.201 24.215 6.162 27 HB3 GLU 4 1HB GLU 4 -3.577 23.527 4.583 28 HG2 GLU 4 2HG GLU 4 -5.866 24.681 6.082 29 HG3 GLU 4 1HG GLU 4 -4.673 25.832 5.481 30 H LEU 5 H LEU 5 -2.496 22.109 7.618 31 HA LEU 5 HA LEU 5 -1.237 20.190 5.910 32 HB2 LEU 5 2HB LEU 5 -0.714 21.263 8.662 33 HB3 LEU 5 1HB LEU 5 0.158 19.836 8.100 34 HG LEU 5 HG LEU 5 0.005 22.152 6.231 35 HD11 LEU 5 1HD1 LEU 5 2.116 23.043 7.413 36 HD12 LEU 5 2HD1 LEU 5 1.576 22.111 8.811 37 HD13 LEU 5 3HD1 LEU 5 0.564 23.404 8.168 38 HD21 LEU 5 3HD2 LEU 5 1.177 19.833 5.947 39 HD22 LEU 5 1HD2 LEU 5 2.415 20.515 7.003 40 HD23 LEU 5 2HD2 LEU 5 2.050 21.285 5.459 41 H GLU 6 H GLU 6 -3.234 20.006 8.814 42 HA GLU 6 HA GLU 6 -2.880 17.265 9.372 43 HB2 GLU 6 2HB GLU 6 -4.177 19.274 10.620 44 HB3 GLU 6 1HB GLU 6 -5.550 18.450 9.881 45 HG2 GLU 6 2HG GLU 6 -4.441 16.281 10.813 46 HG3 GLU 6 1HG GLU 6 -3.560 17.384 11.871 47 H LEU 7 H LEU 7 -5.241 18.967 7.336 48 HA LEU 7 HA LEU 7 -6.726 16.650 6.618 49 HB2 LEU 7 2HB LEU 7 -6.466 19.420 5.468 50 HB3 LEU 7 1HB LEU 7 -7.411 18.179 4.641 51 HG LEU 7 HG LEU 7 -7.914 18.448 7.551 52 HD11 LEU 7 1HD1 LEU 7 -9.466 20.396 7.100 53 HD12 LEU 7 2HD1 LEU 7 -8.665 20.586 5.541 54 HD13 LEU 7 3HD1 LEU 7 -7.750 20.798 7.033 55 HD21 LEU 7 3HD2 LEU 7 -9.147 16.902 6.034 56 HD22 LEU 7 1HD2 LEU 7 -9.728 18.295 5.122 57 HD23 LEU 7 2HD2 LEU 7 -10.217 18.075 6.802 58 H ILE 8 H ILE 8 -4.059 18.403 5.059 59 HA ILE 8 HA ILE 8 -3.925 16.968 2.672 60 HB ILE 8 HB ILE 8 -1.802 18.332 4.322 61 HG12 ILE 8 2HG1 ILE 8 -3.756 19.473 2.948 62 HG13 ILE 8 1HG1 ILE 8 -2.119 20.126 2.871 63 HG21 ILE 8 1HG2 ILE 8 -1.577 16.775 1.753 64 HG22 ILE 8 2HG2 ILE 8 -0.508 16.752 3.156 65 HG23 ILE 8 3HG2 ILE 8 -0.507 18.140 2.067 66 HD11 ILE 8 3HD1 ILE 8 -3.016 18.014 0.921 67 HD12 ILE 8 1HD1 ILE 8 -1.707 19.185 0.756 68 HD13 ILE 8 2HD1 ILE 8 -3.386 19.715 0.635 69 H THR 9 H THR 9 -2.135 16.376 5.703 70 HA THR 9 HA THR 9 -0.795 14.060 4.921 71 HB THR 9 HB THR 9 -1.872 14.765 7.662 72 HG1 THR 9 1HG THR 9 -0.120 15.948 7.855 73 HG21 THR 9 3HG2 THR 9 -1.186 12.642 8.101 74 HG22 THR 9 1HG2 THR 9 0.433 13.339 8.025 75 HG23 THR 9 2HG2 THR 9 -0.249 12.536 6.612 76 H LEU 10 H LEU 10 -4.024 14.433 6.347 77 HA LEU 10 HA LEU 10 -4.620 11.690 6.612 78 HB2 LEU 10 2HB LEU 10 -6.002 14.194 6.902 79 HB3 LEU 10 1HB LEU 10 -7.021 13.060 6.013 80 HG LEU 10 HG LEU 10 -6.604 11.350 7.775 81 HD11 LEU 10 1HD1 LEU 10 -5.734 13.017 9.898 82 HD12 LEU 10 2HD1 LEU 10 -4.622 13.291 8.556 83 HD13 LEU 10 3HD1 LEU 10 -4.869 11.659 9.177 84 HD21 LEU 10 3HD2 LEU 10 -8.631 12.578 8.023 85 HD22 LEU 10 1HD2 LEU 10 -7.778 14.029 8.548 86 HD23 LEU 10 2HD2 LEU 10 -7.871 12.627 9.615 87 H THR 11 H THR 11 -5.193 13.974 3.953 88 HA THR 11 HA THR 11 -6.655 12.289 2.264 89 HB THR 11 HB THR 11 -4.672 14.451 1.509 90 HG1 THR 11 1HG THR 11 -6.804 15.557 1.284 91 HG21 THR 11 3HG2 THR 11 -6.788 14.289 -0.333 92 HG22 THR 11 1HG2 THR 11 -6.283 12.622 -0.055 93 HG23 THR 11 2HG2 THR 11 -5.111 13.820 -0.605 94 H VAL 12 H VAL 12 -3.142 12.754 2.544 95 HA VAL 12 HA VAL 12 -2.441 10.961 0.457 96 HB VAL 12 HB VAL 12 -0.804 11.755 2.875 97 HG11 VAL 12 1HG1 VAL 12 0.722 10.372 1.959 98 HG12 VAL 12 2HG1 VAL 12 0.768 11.441 0.558 99 HG13 VAL 12 3HG1 VAL 12 -0.325 10.058 0.576 100 HG21 VAL 12 3HG2 VAL 12 -1.787 13.285 0.620 101 HG22 VAL 12 1HG2 VAL 12 -0.026 13.187 0.571 102 HG23 VAL 12 2HG2 VAL 12 -0.833 13.833 2.000 103 H GLY 13 H GLY 13 -2.665 10.575 3.985 104 HA2 GLY 13 2HA GLY 13 -1.787 7.915 4.146 105 HA3 GLY 13 1HA GLY 13 -2.855 8.700 5.304 106 H PHE 14 H PHE 14 -4.927 9.280 3.342 107 HA PHE 14 HA PHE 14 -6.380 6.821 3.516 108 HB2 PHE 14 2HB PHE 14 -7.527 8.973 3.669 109 HB3 PHE 14 1HB PHE 14 -7.010 9.386 2.033 110 HD1 PHE 14 2HD PHE 14 -8.716 6.572 3.846 111 HD2 PHE 14 1HD PHE 14 -8.504 8.981 0.297 112 HE1 PHE 14 2HE PHE 14 -10.686 5.382 2.922 113 HE2 PHE 14 1HE PHE 14 -10.474 7.791 -0.628 114 HZ PHE 14 HZ PHE 14 -11.565 5.992 0.685 115 H GLY 15 H GLY 15 -4.969 8.668 0.823 116 HA2 GLY 15 2HA GLY 15 -5.775 6.948 -1.256 117 HA3 GLY 15 1HA GLY 15 -4.401 8.050 -1.320 118 H ILE 16 H ILE 16 -2.971 6.899 0.890 119 HA ILE 16 HA ILE 16 -1.580 4.822 -0.498 120 HB ILE 16 HB ILE 16 -1.351 5.805 2.356 121 HG12 ILE 16 2HG1 ILE 16 0.572 6.312 0.090 122 HG13 ILE 16 1HG1 ILE 16 -0.853 7.332 0.290 123 HG21 ILE 16 1HG2 ILE 16 -0.121 3.569 0.921 124 HG22 ILE 16 2HG2 ILE 16 -0.094 3.945 2.644 125 HG23 ILE 16 3HG2 ILE 16 1.072 4.701 1.559 126 HD11 ILE 16 3HD1 ILE 16 0.875 6.786 2.678 127 HD12 ILE 16 1HD1 ILE 16 -0.122 8.197 2.319 128 HD13 ILE 16 2HD1 ILE 16 1.418 7.969 1.488 129 H LEU 17 H LEU 17 -3.915 4.916 2.142 130 HA LEU 17 HA LEU 17 -3.703 2.246 2.999 131 HB2 LEU 17 2HB LEU 17 -5.033 4.224 4.021 132 HB3 LEU 17 1HB LEU 17 -6.322 3.723 2.927 133 HG LEU 17 HG LEU 17 -5.697 1.318 3.943 134 HD11 LEU 17 1HD1 LEU 17 -5.042 1.423 6.236 135 HD12 LEU 17 2HD1 LEU 17 -5.245 3.175 6.288 136 HD13 LEU 17 3HD1 LEU 17 -3.913 2.468 5.373 137 HD21 LEU 17 3HD2 LEU 17 -7.509 3.484 5.004 138 HD22 LEU 17 1HD2 LEU 17 -7.477 1.888 5.754 139 HD23 LEU 17 2HD2 LEU 17 -7.934 2.057 4.059 140 H ILE 18 H ILE 18 -5.717 3.732 0.478 141 HA ILE 18 HA ILE 18 -7.140 1.400 -0.240 142 HB ILE 18 HB ILE 18 -6.408 3.811 -1.919 143 HG12 ILE 18 2HG1 ILE 18 -9.078 3.259 -0.648 144 HG13 ILE 18 1HG1 ILE 18 -7.793 3.998 0.306 145 HG21 ILE 18 1HG2 ILE 18 -7.285 2.595 -3.609 146 HG22 ILE 18 2HG2 ILE 18 -8.836 2.746 -2.779 147 HG23 ILE 18 3HG2 ILE 18 -7.824 1.326 -2.509 148 HD11 ILE 18 3HD1 ILE 18 -9.517 5.441 -1.196 149 HD12 ILE 18 1HD1 ILE 18 -8.251 5.158 -2.389 150 HD13 ILE 18 2HD1 ILE 18 -7.865 5.963 -0.868 151 H PHE 19 H PHE 19 -4.209 2.870 -1.638 152 HA PHE 19 HA PHE 19 -3.765 0.960 -3.643 153 HB2 PHE 19 2HB PHE 19 -2.587 3.250 -3.139 154 HB3 PHE 19 1HB PHE 19 -1.471 2.250 -2.209 155 HD1 PHE 19 2HD PHE 19 -3.165 2.336 -5.557 156 HD2 PHE 19 1HD PHE 19 0.331 1.253 -3.308 157 HE1 PHE 19 2HE PHE 19 -2.029 1.651 -7.653 158 HE2 PHE 19 1HE PHE 19 1.467 0.568 -5.404 159 HZ PHE 19 HZ PHE 19 0.287 0.768 -7.576 160 H SER 20 H SER 20 -2.594 1.097 -0.288 161 HA SER 20 HA SER 20 -0.968 -1.183 -0.339 162 HB2 SER 20 2HB SER 20 -0.840 -0.947 1.945 163 HB3 SER 20 1HB SER 20 -1.450 0.650 1.526 164 HG SER 20 HG SER 20 -3.499 -0.016 2.058 165 H LEU 21 H LEU 21 -4.430 -0.842 0.369 166 HA LEU 21 HA LEU 21 -4.950 -3.509 1.076 167 HB2 LEU 21 2HB LEU 21 -6.549 -1.647 1.407 168 HB3 LEU 21 1HB LEU 21 -6.797 -1.571 -0.338 169 HG LEU 21 HG LEU 21 -7.087 -4.288 0.683 170 HD11 LEU 21 1HD1 LEU 21 -8.837 -2.086 1.809 171 HD12 LEU 21 2HD1 LEU 21 -7.904 -3.281 2.710 172 HD13 LEU 21 3HD1 LEU 21 -9.316 -3.782 1.782 173 HD21 LEU 21 3HD2 LEU 21 -9.088 -2.462 -0.677 174 HD22 LEU 21 1HD2 LEU 21 -9.070 -4.225 -0.689 175 HD23 LEU 21 2HD2 LEU 21 -7.820 -3.325 -1.547 176 H ILE 22 H ILE 22 -5.232 -1.892 -2.091 177 HA ILE 22 HA ILE 22 -6.069 -4.121 -3.567 178 HB ILE 22 HB ILE 22 -4.420 -1.728 -4.412 179 HG12 ILE 22 2HG1 ILE 22 -6.919 -1.663 -3.477 180 HG13 ILE 22 1HG1 ILE 22 -6.434 -0.669 -4.850 181 HG21 ILE 22 1HG2 ILE 22 -5.695 -3.976 -5.974 182 HG22 ILE 22 2HG2 ILE 22 -4.050 -3.349 -6.100 183 HG23 ILE 22 3HG2 ILE 22 -5.405 -2.396 -6.704 184 HD11 ILE 22 3HD1 ILE 22 -8.588 -2.070 -5.107 185 HD12 ILE 22 1HD1 ILE 22 -7.510 -3.461 -5.237 186 HD13 ILE 22 2HD1 ILE 22 -7.408 -2.152 -6.415 187 H VAL 23 H VAL 23 -2.899 -3.156 -2.447 188 HA VAL 23 HA VAL 23 -1.425 -4.949 -4.135 189 HB VAL 23 HB VAL 23 -0.664 -3.533 -1.571 190 HG11 VAL 23 1HG1 VAL 23 0.956 -5.146 -3.559 191 HG12 VAL 23 2HG1 VAL 23 0.788 -5.434 -1.827 192 HG13 VAL 23 3HG1 VAL 23 1.681 -4.027 -2.404 193 HG21 VAL 23 3HG2 VAL 23 -1.220 -2.401 -3.965 194 HG22 VAL 23 1HG2 VAL 23 0.469 -2.831 -4.230 195 HG23 VAL 23 2HG2 VAL 23 0.029 -1.781 -2.884 196 H THR 24 H THR 24 -2.252 -4.987 -0.661 197 HA THR 24 HA THR 24 -1.235 -7.544 -0.100 198 HB THR 24 HB THR 24 -3.505 -6.010 1.183 199 HG1 THR 24 1HG THR 24 -1.605 -5.988 2.786 200 HG21 THR 24 3HG2 THR 24 -3.958 -8.042 2.110 201 HG22 THR 24 1HG2 THR 24 -2.549 -7.677 3.108 202 HG23 THR 24 2HG2 THR 24 -2.378 -8.701 1.681 203 H TYR 25 H TYR 25 -4.282 -6.503 -1.491 204 HA TYR 25 HA TYR 25 -5.686 -8.953 -1.220 205 HB2 TYR 25 2HB TYR 25 -6.801 -6.813 -1.734 206 HB3 TYR 25 1HB TYR 25 -6.011 -6.787 -3.311 207 HD1 TYR 25 1HD TYR 25 -6.525 -8.559 -5.001 208 HD2 TYR 25 2HD TYR 25 -8.702 -8.215 -1.314 209 HE1 TYR 25 1HE TYR 25 -8.325 -9.989 -5.930 210 HE2 TYR 25 2HE TYR 25 -10.501 -9.646 -2.242 211 HH TYR 25 HH TYR 25 -10.335 -11.616 -4.432 212 H CYS 26 H CYS 26 -3.809 -7.570 -3.916 213 HA CYS 26 HA CYS 26 -4.149 -9.682 -5.727 214 HB2 CYS 26 2HB CYS 26 -1.845 -7.753 -5.372 215 HB3 CYS 26 1HB CYS 26 -2.017 -8.841 -6.748 216 HG CYS 26 HG CYS 26 -3.605 -6.271 -6.311 217 H ILE 27 H ILE 27 -1.870 -9.244 -3.075 218 HA ILE 27 HA ILE 27 -0.161 -11.417 -3.687 219 HB ILE 27 HB ILE 27 -0.817 -10.172 -1.006 220 HG12 ILE 27 2HG1 ILE 27 0.207 -8.829 -3.061 221 HG13 ILE 27 1HG1 ILE 27 0.845 -8.610 -1.432 222 HG21 ILE 27 1HG2 ILE 27 1.559 -11.072 -0.533 223 HG22 ILE 27 2HG2 ILE 27 1.306 -12.102 -1.943 224 HG23 ILE 27 3HG2 ILE 27 0.239 -12.243 -0.546 225 HD11 ILE 27 3HD1 ILE 27 1.967 -10.701 -3.301 226 HD12 ILE 27 1HD1 ILE 27 2.707 -10.018 -1.852 227 HD13 ILE 27 2HD1 ILE 27 2.559 -9.037 -3.310 228 H ASN 28 H ASN 28 -3.065 -11.159 -1.659 229 HA ASN 28 HA ASN 28 -3.032 -13.791 -0.649 230 HB2 ASN 28 2HB ASN 28 -5.231 -11.777 -1.083 231 HB3 ASN 28 1HB ASN 28 -5.560 -13.377 -0.419 232 HD21 ASN 28 1HD2 ASN 28 -2.472 -11.847 0.281 233 HD22 ASN 28 2HD2 ASN 28 -2.810 -11.488 1.905 234 H ALA 29 H ALA 29 -4.487 -12.402 -3.568 235 HA ALA 29 HA ALA 29 -5.828 -14.752 -4.415 236 HB1 ALA 29 1HB ALA 29 -4.747 -12.629 -6.263 237 HB2 ALA 29 2HB ALA 29 -6.159 -12.349 -5.246 238 HB3 ALA 29 3HB ALA 29 -6.190 -13.625 -6.463 239 H LYS 30 H LYS 30 -2.638 -13.396 -5.214 240 HA LYS 30 HA LYS 30 -1.878 -15.350 -7.093 241 HB2 LYS 30 2HB LYS 30 -0.290 -13.547 -5.268 242 HB3 LYS 30 1HB LYS 30 0.482 -14.647 -6.412 243 HG2 LYS 30 2HG LYS 30 -0.353 -13.514 -8.273 244 HG3 LYS 30 1HG LYS 30 -1.693 -12.809 -7.367 245 HD2 LYS 30 2HD LYS 30 0.012 -11.102 -7.873 246 HD3 LYS 30 1HD LYS 30 -0.105 -11.374 -6.135 247 HE2 LYS 30 2HE LYS 30 1.903 -12.612 -6.071 248 HE3 LYS 30 1HE LYS 30 1.886 -12.897 -7.811 249 HZ1 LYS 30 3HZ LYS 30 3.498 -11.204 -7.212 250 HZ2 LYS 30 1HZ LYS 30 2.285 -10.267 -6.488 251 HZ3 LYS 30 2HZ LYS 30 2.260 -10.537 -8.166 252 H ALA 31 H ALA 31 -1.971 -15.380 -3.616 253 HA ALA 31 HA ALA 31 -0.323 -17.779 -3.425 254 HB1 ALA 31 1HB ALA 31 -0.294 -15.896 -1.715 255 HB2 ALA 31 2HB ALA 31 -0.496 -17.523 -1.062 256 HB3 ALA 31 3HB ALA 31 -1.889 -16.452 -1.211 257 H ASP 32 H ASP 32 -3.704 -16.812 -3.183 258 HA ASP 32 HA ASP 32 -4.752 -19.225 -2.174 259 HB2 ASP 32 2HB ASP 32 -5.970 -17.091 -3.932 260 HB3 ASP 32 1HB ASP 32 -6.888 -18.442 -3.272 261 H VAL 33 H VAL 33 -3.728 -18.273 -5.371 262 HA VAL 33 HA VAL 33 -5.071 -20.267 -6.863 263 HB VAL 33 HB VAL 33 -2.413 -18.944 -7.459 264 HG11 VAL 33 1HG1 VAL 33 -4.066 -20.899 -8.845 265 HG12 VAL 33 2HG1 VAL 33 -2.448 -20.321 -9.245 266 HG13 VAL 33 3HG1 VAL 33 -3.864 -19.433 -9.804 267 HG21 VAL 33 3HG2 VAL 33 -5.019 -17.830 -7.206 268 HG22 VAL 33 1HG2 VAL 33 -4.654 -17.901 -8.928 269 HG23 VAL 33 2HG2 VAL 33 -3.568 -17.046 -7.833 270 H LEU 34 H LEU 34 -2.481 -20.445 -4.653 271 HA LEU 34 HA LEU 34 -1.437 -22.942 -5.778 272 HB2 LEU 34 2HB LEU 34 -0.555 -21.098 -3.572 273 HB3 LEU 34 1HB LEU 34 0.096 -22.732 -3.699 274 HG LEU 34 HG LEU 34 0.778 -22.262 -6.036 275 HD11 LEU 34 1HD1 LEU 34 -0.566 -19.656 -5.395 276 HD12 LEU 34 2HD1 LEU 34 -0.662 -20.626 -6.864 277 HD13 LEU 34 3HD1 LEU 34 0.784 -19.673 -6.529 278 HD21 LEU 34 3HD2 LEU 34 1.745 -20.569 -3.750 279 HD22 LEU 34 1HD2 LEU 34 2.430 -20.320 -5.356 280 HD23 LEU 34 2HD2 LEU 34 2.563 -21.897 -4.576 281 H PHE 35 H PHE 35 -4.003 -22.100 -3.942 282 HA PHE 35 HA PHE 35 -3.982 -24.695 -2.538 283 HB2 PHE 35 2HB PHE 35 -5.002 -22.098 -1.361 284 HB3 PHE 35 1HB PHE 35 -5.006 -23.679 -0.578 285 HD1 PHE 35 1HD PHE 35 -2.701 -24.881 -0.358 286 HD2 PHE 35 2HD PHE 35 -3.155 -20.674 -1.102 287 HE1 PHE 35 1HE PHE 35 -0.391 -24.489 0.454 288 HE2 PHE 35 2HE PHE 35 -0.845 -20.282 -0.290 289 HZ PHE 35 HZ PHE 35 0.537 -22.189 0.488 290 H ILE 36 H ILE 36 -6.552 -24.198 -1.332 291 HA ILE 36 HA ILE 36 -8.226 -24.924 -3.564 292 HB ILE 36 HB ILE 36 -9.100 -24.348 -0.730 293 HG12 ILE 36 2HG1 ILE 36 -7.276 -25.925 -0.575 294 HG13 ILE 36 1HG1 ILE 36 -8.775 -26.842 -0.425 295 HG21 ILE 36 1HG2 ILE 36 -10.932 -24.609 -2.295 296 HG22 ILE 36 2HG2 ILE 36 -10.812 -26.090 -1.345 297 HG23 ILE 36 3HG2 ILE 36 -10.187 -26.048 -2.993 298 HD11 ILE 36 3HD1 ILE 36 -6.905 -26.664 -2.780 299 HD12 ILE 36 1HD1 ILE 36 -8.593 -27.122 -3.007 300 HD13 ILE 36 2HD1 ILE 36 -7.544 -28.102 -1.982 301 H ALA 37 H ALA 37 -7.540 -22.622 -4.446 302 HA ALA 37 HA ALA 37 -8.498 -20.222 -3.617 303 HB1 ALA 37 1HB ALA 37 -9.204 -20.317 -6.343 304 HB2 ALA 37 2HB ALA 37 -7.823 -21.397 -6.161 305 HB3 ALA 37 3HB ALA 37 -7.698 -19.716 -5.649 306 HA PRO 38 HA PRO 38 -12.876 -20.313 -3.398 307 HB2 PRO 38 2HB PRO 38 -13.562 -17.861 -4.405 308 HB3 PRO 38 1HB PRO 38 -12.828 -18.089 -2.806 309 HG2 PRO 38 2HG PRO 38 -11.559 -17.248 -5.367 310 HG3 PRO 38 1HG PRO 38 -11.294 -16.643 -3.724 311 HD2 PRO 38 2HD PRO 38 -9.580 -18.419 -4.924 312 HD3 PRO 38 1HD PRO 38 -9.857 -18.399 -3.170 313 H ARG 39 H ARG 39 -14.426 -21.261 -4.602 314 HA ARG 39 HA ARG 39 -14.609 -20.644 -7.473 315 HB2 ARG 39 2HB ARG 39 -14.886 -23.076 -7.957 316 HB3 ARG 39 1HB ARG 39 -13.270 -22.665 -7.385 317 HG2 ARG 39 2HG ARG 39 -14.729 -23.172 -5.052 318 HG3 ARG 39 1HG ARG 39 -15.251 -24.422 -6.181 319 HD2 ARG 39 2HD ARG 39 -12.422 -23.787 -5.320 320 HD3 ARG 39 1HD ARG 39 -13.317 -25.277 -5.040 321 HE ARG 39 HE ARG 39 -13.070 -24.695 -7.837 322 HH11 ARG 39 1HH2 ARG 39 -11.439 -25.926 -5.045 323 HH12 ARG 39 2HH2 ARG 39 -10.364 -26.942 -5.949 324 HH21 ARG 39 1HH1 ARG 39 -11.665 -26.023 -9.030 325 HH22 ARG 39 2HH1 ARG 39 -10.493 -26.996 -8.205 326 H GLU 40 H GLU 40 -16.668 -21.073 -8.395 327 HA GLU 40 HA GLU 40 -18.868 -20.471 -6.766 328 HB2 GLU 40 2HB GLU 40 -18.474 -21.366 -9.570 329 HB3 GLU 40 1HB GLU 40 -20.082 -21.600 -8.883 330 HG2 GLU 40 2HG GLU 40 -20.210 -19.239 -8.274 331 HG3 GLU 40 1HG GLU 40 -18.561 -18.978 -8.843 332 HA PRO 41 HA PRO 41 -20.058 -24.309 -4.986 333 HB2 PRO 41 2HB PRO 41 -22.790 -24.054 -4.985 334 HB3 PRO 41 1HB PRO 41 -21.721 -23.190 -3.863 335 HG2 PRO 41 2HG PRO 41 -23.033 -22.221 -6.353 336 HG3 PRO 41 1HG PRO 41 -22.779 -21.387 -4.812 337 HD2 PRO 41 2HD PRO 41 -21.205 -20.936 -7.002 338 HD3 PRO 41 1HD PRO 41 -20.612 -20.781 -5.335 339 H GLY 42 H GLY 42 -19.401 -25.792 -6.600 340 HA2 GLY 42 2HA GLY 42 -19.675 -27.419 -8.204 341 HA3 GLY 42 1HA GLY 42 -21.373 -27.413 -7.738 342 H ALA 43 H ALA 43 -20.257 -24.375 -8.756 343 HA ALA 43 HA ALA 43 -20.794 -23.073 -10.572 344 HB1 ALA 43 1HB ALA 43 -19.043 -24.390 -11.634 345 HB2 ALA 43 2HB ALA 43 -20.346 -24.101 -12.788 346 HB3 ALA 43 3HB ALA 43 -20.196 -25.672 -12.002 347 H VAL 44 H VAL 44 -22.892 -24.856 -9.245 348 HA VAL 44 HA VAL 44 -25.105 -25.422 -9.532 349 HB VAL 44 HB VAL 44 -24.994 -23.142 -11.521 350 HG11 VAL 44 1HG1 VAL 44 -27.419 -23.167 -10.124 351 HG12 VAL 44 2HG1 VAL 44 -27.114 -24.861 -10.509 352 HG13 VAL 44 3HG1 VAL 44 -27.172 -23.661 -11.799 353 HG21 VAL 44 3HG2 VAL 44 -24.894 -23.281 -8.555 354 HG22 VAL 44 1HG2 VAL 44 -26.010 -22.095 -9.233 355 HG23 VAL 44 2HG2 VAL 44 -24.296 -22.028 -9.644 356 H SER 45 H SER 45 -23.086 -26.700 -11.306 357 HA SER 45 HA SER 45 -22.956 -27.925 -13.269 358 HB2 SER 45 2HB SER 45 -25.847 -28.524 -12.649 359 HB3 SER 45 1HB SER 45 -24.660 -29.577 -13.412 360 HG SER 45 HG SER 45 -25.130 -29.065 -10.767 361 H TYR 46 H TYR 46 -23.494 -25.228 -13.829 362 HA TYR 46 HA TYR 46 -25.643 -24.518 -15.347 363 HB2 TYR 46 2HB TYR 46 -23.434 -23.235 -14.846 364 HB3 TYR 46 1HB TYR 46 -22.885 -23.921 -16.374 365 HD1 TYR 46 2HD TYR 46 -25.681 -21.972 -14.838 366 HD2 TYR 46 1HD TYR 46 -23.536 -22.959 -18.426 367 HE1 TYR 46 2HE TYR 46 -26.952 -20.239 -16.075 368 HE2 TYR 46 1HE TYR 46 -24.807 -21.228 -19.664 369 HH TYR 46 HH TYR 46 -26.179 -18.834 -18.585 Start of MODEL 10 1 H ALA 1 1HT ALA 1 -2.752 27.685 9.327 2 HA ALA 1 HA ALA 1 -4.670 26.936 7.288 3 HB1 ALA 1 2HB ALA 1 -3.148 26.683 5.521 4 HB2 ALA 1 3HB ALA 1 -1.746 26.842 6.581 5 HB3 ALA 1 1HB ALA 1 -2.713 28.262 6.178 6 H SER 2 H SER 2 -3.049 26.436 10.011 7 HA SER 2 HA SER 2 -1.712 24.013 9.869 8 HB2 SER 2 2HB SER 2 -2.742 23.698 12.256 9 HB3 SER 2 1HB SER 2 -1.622 25.024 11.963 10 HG SER 2 HG SER 2 -3.710 25.506 13.045 11 H LYS 3 H LYS 3 -5.202 24.590 10.244 12 HA LYS 3 HA LYS 3 -6.025 21.930 10.517 13 HB2 LYS 3 2HB LYS 3 -7.465 24.242 9.193 14 HB3 LYS 3 1HB LYS 3 -8.219 22.727 9.691 15 HG2 LYS 3 2HG LYS 3 -8.073 23.230 11.936 16 HG3 LYS 3 1HG LYS 3 -6.615 24.201 11.733 17 HD2 LYS 3 2HD LYS 3 -7.886 26.027 10.782 18 HD3 LYS 3 1HD LYS 3 -9.354 25.050 10.754 19 HE2 LYS 3 2HE LYS 3 -9.820 25.589 12.889 20 HE3 LYS 3 1HE LYS 3 -8.222 25.059 13.412 21 HZ1 LYS 3 3HZ LYS 3 -8.743 27.464 13.794 22 HZ2 LYS 3 1HZ LYS 3 -8.708 27.676 12.111 23 HZ3 LYS 3 2HZ LYS 3 -7.310 27.164 12.931 24 H GLU 4 H GLU 4 -5.636 23.897 7.577 25 HA GLU 4 HA GLU 4 -6.508 22.012 5.710 26 HB2 GLU 4 2HB GLU 4 -4.771 24.416 5.646 27 HB3 GLU 4 1HB GLU 4 -4.621 23.299 4.290 28 HG2 GLU 4 2HG GLU 4 -6.348 25.032 3.871 29 HG3 GLU 4 1HG GLU 4 -7.037 23.409 3.897 30 H LEU 5 H LEU 5 -3.318 22.486 7.165 31 HA LEU 5 HA LEU 5 -1.927 20.596 5.589 32 HB2 LEU 5 2HB LEU 5 -1.449 21.736 8.337 33 HB3 LEU 5 1HB LEU 5 -0.351 20.558 7.612 34 HG LEU 5 HG LEU 5 -1.145 22.919 5.961 35 HD11 LEU 5 1HD1 LEU 5 1.062 23.931 7.084 36 HD12 LEU 5 2HD1 LEU 5 0.480 23.013 8.470 37 HD13 LEU 5 3HD1 LEU 5 -0.542 24.254 7.743 38 HD21 LEU 5 3HD2 LEU 5 0.370 20.913 5.304 39 HD22 LEU 5 1HD2 LEU 5 1.580 21.675 6.335 40 HD23 LEU 5 2HD2 LEU 5 0.949 22.535 4.931 41 H GLU 6 H GLU 6 -3.916 20.298 8.458 42 HA GLU 6 HA GLU 6 -3.150 17.673 9.197 43 HB2 GLU 6 2HB GLU 6 -4.680 19.544 10.368 44 HB3 GLU 6 1HB GLU 6 -5.951 18.536 9.674 45 HG2 GLU 6 2HG GLU 6 -4.904 16.540 10.733 46 HG3 GLU 6 1HG GLU 6 -3.710 17.594 11.487 47 H LEU 7 H LEU 7 -5.851 18.884 7.222 48 HA LEU 7 HA LEU 7 -6.911 16.321 6.607 49 HB2 LEU 7 2HB LEU 7 -7.246 19.079 5.496 50 HB3 LEU 7 1HB LEU 7 -7.885 17.704 4.595 51 HG LEU 7 HG LEU 7 -9.177 16.987 6.550 52 HD11 LEU 7 1HD1 LEU 7 -9.257 18.680 8.496 53 HD12 LEU 7 2HD1 LEU 7 -7.747 19.306 7.844 54 HD13 LEU 7 3HD1 LEU 7 -7.837 17.636 8.397 55 HD21 LEU 7 3HD2 LEU 7 -10.419 18.459 5.178 56 HD22 LEU 7 1HD2 LEU 7 -9.451 19.856 5.649 57 HD23 LEU 7 2HD2 LEU 7 -10.593 19.148 6.792 58 H ILE 8 H ILE 8 -4.620 18.455 4.950 59 HA ILE 8 HA ILE 8 -4.360 17.067 2.553 60 HB ILE 8 HB ILE 8 -2.380 18.690 4.149 61 HG12 ILE 8 2HG1 ILE 8 -4.548 19.556 2.862 62 HG13 ILE 8 1HG1 ILE 8 -3.037 20.465 2.808 63 HG21 ILE 8 1HG2 ILE 8 -2.059 17.266 1.507 64 HG22 ILE 8 2HG2 ILE 8 -0.958 17.288 2.882 65 HG23 ILE 8 3HG2 ILE 8 -1.134 18.723 1.879 66 HD11 ILE 8 3HD1 ILE 8 -3.698 18.353 0.750 67 HD12 ILE 8 1HD1 ILE 8 -2.489 19.632 0.646 68 HD13 ILE 8 2HD1 ILE 8 -4.198 20.029 0.554 69 H THR 9 H THR 9 -2.454 16.688 5.530 70 HA THR 9 HA THR 9 -0.884 14.522 4.606 71 HB THR 9 HB THR 9 -1.663 15.309 7.424 72 HG1 THR 9 1HG THR 9 0.105 16.523 7.351 73 HG21 THR 9 3HG2 THR 9 -0.924 13.093 7.639 74 HG22 THR 9 1HG2 THR 9 0.559 14.020 7.866 75 HG23 THR 9 2HG2 THR 9 0.230 13.250 6.313 76 H LEU 10 H LEU 10 -3.956 14.660 6.372 77 HA LEU 10 HA LEU 10 -4.233 11.927 6.889 78 HB2 LEU 10 2HB LEU 10 -5.855 14.281 7.086 79 HB3 LEU 10 1HB LEU 10 -6.807 13.021 6.304 80 HG LEU 10 HG LEU 10 -7.053 12.918 8.757 81 HD11 LEU 10 1HD1 LEU 10 -5.420 10.519 8.429 82 HD12 LEU 10 2HD1 LEU 10 -6.446 10.817 7.026 83 HD13 LEU 10 3HD1 LEU 10 -7.168 10.661 8.629 84 HD21 LEU 10 3HD2 LEU 10 -4.401 11.886 9.339 85 HD22 LEU 10 1HD2 LEU 10 -5.283 13.188 10.139 86 HD23 LEU 10 2HD2 LEU 10 -4.307 13.530 8.711 87 H THR 11 H THR 11 -5.116 13.828 4.049 88 HA THR 11 HA THR 11 -6.474 11.776 2.657 89 HB THR 11 HB THR 11 -4.932 14.135 1.550 90 HG1 THR 11 1HG THR 11 -6.628 14.640 3.026 91 HG21 THR 11 3HG2 THR 11 -6.704 13.789 -0.308 92 HG22 THR 11 1HG2 THR 11 -6.887 12.170 0.369 93 HG23 THR 11 2HG2 THR 11 -5.326 12.688 -0.269 94 H VAL 12 H VAL 12 -3.084 12.852 2.562 95 HA VAL 12 HA VAL 12 -2.160 11.114 0.575 96 HB VAL 12 HB VAL 12 -0.669 12.100 3.019 97 HG11 VAL 12 1HG1 VAL 12 0.069 10.369 0.832 98 HG12 VAL 12 2HG1 VAL 12 1.052 10.906 2.193 99 HG13 VAL 12 3HG1 VAL 12 0.976 11.875 0.722 100 HG21 VAL 12 3HG2 VAL 12 -0.032 13.495 0.606 101 HG22 VAL 12 1HG2 VAL 12 -0.773 14.140 2.070 102 HG23 VAL 12 2HG2 VAL 12 -1.788 13.491 0.782 103 H GLY 13 H GLY 13 -2.441 10.635 4.083 104 HA2 GLY 13 2HA GLY 13 -1.261 8.061 4.166 105 HA3 GLY 13 1HA GLY 13 -2.344 8.735 5.381 106 H PHE 14 H PHE 14 -4.573 9.171 3.637 107 HA PHE 14 HA PHE 14 -5.838 6.643 3.802 108 HB2 PHE 14 2HB PHE 14 -7.122 8.711 3.916 109 HB3 PHE 14 1HB PHE 14 -6.632 9.132 2.275 110 HD1 PHE 14 2HD PHE 14 -8.138 6.220 4.115 111 HD2 PHE 14 1HD PHE 14 -8.130 8.632 0.559 112 HE1 PHE 14 2HE PHE 14 -10.033 4.900 3.213 113 HE2 PHE 14 1HE PHE 14 -10.023 7.311 -0.341 114 HZ PHE 14 HZ PHE 14 -10.976 5.444 0.985 115 H GLY 15 H GLY 15 -4.643 8.510 1.013 116 HA2 GLY 15 2HA GLY 15 -5.361 6.730 -1.016 117 HA3 GLY 15 1HA GLY 15 -4.007 7.847 -1.098 118 H ILE 16 H ILE 16 -2.397 6.867 0.933 119 HA ILE 16 HA ILE 16 -1.037 4.757 -0.360 120 HB ILE 16 HB ILE 16 -0.811 5.818 2.463 121 HG12 ILE 16 2HG1 ILE 16 1.030 6.223 0.094 122 HG13 ILE 16 1HG1 ILE 16 -0.301 7.324 0.454 123 HG21 ILE 16 1HG2 ILE 16 0.558 3.609 1.020 124 HG22 ILE 16 2HG2 ILE 16 0.296 3.830 2.749 125 HG23 ILE 16 3HG2 ILE 16 1.594 4.703 1.935 126 HD11 ILE 16 3HD1 ILE 16 1.602 6.607 2.653 127 HD12 ILE 16 1HD1 ILE 16 0.677 8.090 2.414 128 HD13 ILE 16 2HD1 ILE 16 2.114 7.780 1.439 129 H LEU 17 H LEU 17 -3.252 4.830 2.402 130 HA LEU 17 HA LEU 17 -2.997 2.153 3.208 131 HB2 LEU 17 2HB LEU 17 -4.646 4.371 3.857 132 HB3 LEU 17 1HB LEU 17 -5.721 3.029 3.476 133 HG LEU 17 HG LEU 17 -4.403 1.574 5.017 134 HD11 LEU 17 1HD1 LEU 17 -3.106 3.419 6.651 135 HD12 LEU 17 2HD1 LEU 17 -2.699 3.952 5.022 136 HD13 LEU 17 3HD1 LEU 17 -2.327 2.307 5.528 137 HD21 LEU 17 3HD2 LEU 17 -6.423 2.611 5.868 138 HD22 LEU 17 1HD2 LEU 17 -5.572 4.129 6.156 139 HD23 LEU 17 2HD2 LEU 17 -5.189 2.708 7.126 140 H ILE 18 H ILE 18 -5.071 3.664 0.763 141 HA ILE 18 HA ILE 18 -6.606 1.377 0.121 142 HB ILE 18 HB ILE 18 -5.802 3.726 -1.611 143 HG12 ILE 18 2HG1 ILE 18 -8.416 3.208 -0.175 144 HG13 ILE 18 1HG1 ILE 18 -7.106 4.135 0.553 145 HG21 ILE 18 1HG2 ILE 18 -7.676 1.411 -2.008 146 HG22 ILE 18 2HG2 ILE 18 -6.562 2.148 -3.158 147 HG23 ILE 18 3HG2 ILE 18 -8.059 2.974 -2.728 148 HD11 ILE 18 3HD1 ILE 18 -9.074 5.180 -1.074 149 HD12 ILE 18 1HD1 ILE 18 -7.726 4.964 -2.191 150 HD13 ILE 18 2HD1 ILE 18 -7.524 5.944 -0.740 151 H PHE 19 H PHE 19 -3.738 2.730 -1.521 152 HA PHE 19 HA PHE 19 -3.400 0.726 -3.435 153 HB2 PHE 19 2HB PHE 19 -1.715 2.806 -2.217 154 HB3 PHE 19 1HB PHE 19 -0.818 1.423 -2.845 155 HD1 PHE 19 2HD PHE 19 -0.954 0.802 -5.227 156 HD2 PHE 19 1HD PHE 19 -2.970 4.271 -3.692 157 HE1 PHE 19 2HE PHE 19 -1.273 1.641 -7.540 158 HE2 PHE 19 1HE PHE 19 -3.288 5.110 -6.004 159 HZ PHE 19 HZ PHE 19 -2.440 3.794 -7.927 160 H SER 20 H SER 20 -2.032 0.924 -0.152 161 HA SER 20 HA SER 20 -0.510 -1.401 -0.163 162 HB2 SER 20 2HB SER 20 -0.949 0.464 1.685 163 HB3 SER 20 1HB SER 20 -2.073 -0.749 2.291 164 HG SER 20 HG SER 20 0.720 -0.886 1.948 165 H LEU 21 H LEU 21 -3.953 -0.987 0.639 166 HA LEU 21 HA LEU 21 -4.456 -3.657 1.321 167 HB2 LEU 21 2HB LEU 21 -6.008 -1.773 1.797 168 HB3 LEU 21 1HB LEU 21 -6.370 -1.659 0.081 169 HG LEU 21 HG LEU 21 -7.194 -4.007 0.108 170 HD11 LEU 21 1HD1 LEU 21 -6.156 -5.161 1.825 171 HD12 LEU 21 2HD1 LEU 21 -7.675 -4.758 2.620 172 HD13 LEU 21 3HD1 LEU 21 -6.235 -3.792 2.935 173 HD21 LEU 21 3HD2 LEU 21 -8.720 -2.064 0.518 174 HD22 LEU 21 1HD2 LEU 21 -8.493 -2.307 2.251 175 HD23 LEU 21 2HD2 LEU 21 -9.267 -3.559 1.279 176 H ILE 22 H ILE 22 -4.733 -1.954 -1.767 177 HA ILE 22 HA ILE 22 -5.767 -4.112 -3.260 178 HB ILE 22 HB ILE 22 -4.123 -1.716 -4.097 179 HG12 ILE 22 2HG1 ILE 22 -6.592 -1.661 -3.115 180 HG13 ILE 22 1HG1 ILE 22 -6.150 -0.655 -4.494 181 HG21 ILE 22 1HG2 ILE 22 -5.396 -3.929 -5.711 182 HG22 ILE 22 2HG2 ILE 22 -3.768 -3.273 -5.845 183 HG23 ILE 22 3HG2 ILE 22 -5.145 -2.323 -6.396 184 HD11 ILE 22 3HD1 ILE 22 -7.248 -3.443 -4.889 185 HD12 ILE 22 1HD1 ILE 22 -7.190 -2.111 -6.042 186 HD13 ILE 22 2HD1 ILE 22 -8.316 -2.062 -4.690 187 H VAL 23 H VAL 23 -2.483 -3.176 -2.461 188 HA VAL 23 HA VAL 23 -1.190 -5.014 -4.213 189 HB VAL 23 HB VAL 23 -0.169 -3.704 -1.682 190 HG11 VAL 23 1HG1 VAL 23 1.093 -5.364 -3.843 191 HG12 VAL 23 2HG1 VAL 23 1.366 -5.410 -2.101 192 HG13 VAL 23 3HG1 VAL 23 2.038 -4.095 -3.065 193 HG21 VAL 23 3HG2 VAL 23 -0.949 -2.517 -4.069 194 HG22 VAL 23 1HG2 VAL 23 0.787 -2.743 -4.281 195 HG23 VAL 23 2HG2 VAL 23 0.179 -1.825 -2.903 196 H THR 24 H THR 24 -1.828 -5.063 -0.705 197 HA THR 24 HA THR 24 -0.794 -7.642 -0.225 198 HB THR 24 HB THR 24 -2.963 -6.120 1.242 199 HG1 THR 24 1HG THR 24 -1.081 -5.005 1.347 200 HG21 THR 24 3HG2 THR 24 -2.050 -7.653 3.141 201 HG22 THR 24 1HG2 THR 24 -1.475 -8.670 1.821 202 HG23 THR 24 2HG2 THR 24 -3.198 -8.331 1.988 203 H TYR 25 H TYR 25 -3.886 -6.509 -1.423 204 HA TYR 25 HA TYR 25 -5.283 -8.997 -1.072 205 HB2 TYR 25 2HB TYR 25 -6.608 -7.022 -1.269 206 HB3 TYR 25 1HB TYR 25 -5.811 -6.559 -2.773 207 HD1 TYR 25 2HD TYR 25 -6.239 -7.807 -4.867 208 HD2 TYR 25 1HD TYR 25 -8.336 -8.714 -1.229 209 HE1 TYR 25 2HE TYR 25 -7.918 -9.098 -6.158 210 HE2 TYR 25 1HE TYR 25 -10.014 -10.006 -2.520 211 HH TYR 25 HH TYR 25 -10.861 -9.929 -5.025 212 H CYS 26 H CYS 26 -3.692 -7.427 -3.843 213 HA CYS 26 HA CYS 26 -4.263 -9.329 -5.799 214 HB2 CYS 26 2HB CYS 26 -1.826 -7.575 -5.434 215 HB3 CYS 26 1HB CYS 26 -2.148 -8.520 -6.888 216 HG CYS 26 HG CYS 26 -4.582 -6.888 -6.337 217 H ILE 27 H ILE 27 -1.792 -9.311 -3.289 218 HA ILE 27 HA ILE 27 -0.357 -11.583 -4.277 219 HB ILE 27 HB ILE 27 -0.451 -10.204 -1.592 220 HG12 ILE 27 2HG1 ILE 27 1.857 -10.470 -3.521 221 HG13 ILE 27 1HG1 ILE 27 0.651 -9.195 -3.708 222 HG21 ILE 27 1HG2 ILE 27 1.698 -11.656 -1.268 223 HG22 ILE 27 2HG2 ILE 27 0.960 -12.711 -2.473 224 HG23 ILE 27 3HG2 ILE 27 0.125 -12.386 -0.954 225 HD11 ILE 27 3HD1 ILE 27 1.405 -8.042 -1.893 226 HD12 ILE 27 1HD1 ILE 27 2.888 -8.961 -2.157 227 HD13 ILE 27 2HD1 ILE 27 1.709 -9.512 -0.966 228 H ASN 28 H ASN 28 -2.721 -11.145 -1.640 229 HA ASN 28 HA ASN 28 -2.856 -13.816 -0.813 230 HB2 ASN 28 2HB ASN 28 -4.923 -11.613 -0.767 231 HB3 ASN 28 1HB ASN 28 -5.166 -13.181 -0.001 232 HD21 ASN 28 1HD2 ASN 28 -3.267 -13.821 1.563 233 HD22 ASN 28 2HD2 ASN 28 -2.634 -12.568 2.517 234 H ALA 29 H ALA 29 -4.338 -12.170 -3.523 235 HA ALA 29 HA ALA 29 -6.274 -14.165 -4.144 236 HB1 ALA 29 1HB ALA 29 -4.977 -12.018 -5.835 237 HB2 ALA 29 2HB ALA 29 -6.548 -11.945 -5.039 238 HB3 ALA 29 3HB ALA 29 -6.296 -13.047 -6.393 239 H LYS 30 H LYS 30 -3.020 -13.473 -5.418 240 HA LYS 30 HA LYS 30 -2.863 -15.470 -7.339 241 HB2 LYS 30 2HB LYS 30 -0.706 -14.357 -5.538 242 HB3 LYS 30 1HB LYS 30 -0.390 -15.388 -6.932 243 HG2 LYS 30 2HG LYS 30 -2.128 -12.992 -7.340 244 HG3 LYS 30 1HG LYS 30 -0.396 -12.726 -7.146 245 HD2 LYS 30 2HD LYS 30 -1.281 -14.885 -9.019 246 HD3 LYS 30 1HD LYS 30 -1.448 -13.211 -9.542 247 HE2 LYS 30 2HE LYS 30 0.869 -12.799 -9.382 248 HE3 LYS 30 1HE LYS 30 1.136 -14.206 -8.353 249 HZ1 LYS 30 3HZ LYS 30 1.609 -14.197 -10.963 250 HZ2 LYS 30 1HZ LYS 30 -0.001 -14.731 -10.975 251 HZ3 LYS 30 2HZ LYS 30 1.174 -15.596 -10.104 252 H ALA 31 H ALA 31 -2.179 -15.652 -3.875 253 HA ALA 31 HA ALA 31 -1.253 -18.312 -3.824 254 HB1 ALA 31 1HB ALA 31 -1.020 -16.660 -1.959 255 HB2 ALA 31 2HB ALA 31 -1.619 -18.238 -1.447 256 HB3 ALA 31 3HB ALA 31 -2.736 -16.883 -1.619 257 H ASP 32 H ASP 32 -4.485 -16.980 -3.230 258 HA ASP 32 HA ASP 32 -5.830 -19.349 -2.673 259 HB2 ASP 32 2HB ASP 32 -6.723 -16.769 -3.937 260 HB3 ASP 32 1HB ASP 32 -7.846 -18.099 -3.685 261 H VAL 33 H VAL 33 -4.808 -18.003 -5.725 262 HA VAL 33 HA VAL 33 -6.304 -19.939 -7.279 263 HB VAL 33 HB VAL 33 -4.323 -17.793 -8.032 264 HG11 VAL 33 1HG1 VAL 33 -5.591 -19.989 -9.638 265 HG12 VAL 33 2HG1 VAL 33 -3.963 -19.317 -9.753 266 HG13 VAL 33 3HG1 VAL 33 -5.338 -18.414 -10.391 267 HG21 VAL 33 3HG2 VAL 33 -7.254 -18.062 -8.740 268 HG22 VAL 33 1HG2 VAL 33 -6.233 -16.629 -8.872 269 HG23 VAL 33 2HG2 VAL 33 -6.711 -17.229 -7.284 270 H LEU 34 H LEU 34 -2.932 -19.291 -6.480 271 HA LEU 34 HA LEU 34 -1.632 -21.159 -7.990 272 HB2 LEU 34 2HB LEU 34 -1.121 -20.160 -5.218 273 HB3 LEU 34 1HB LEU 34 -0.073 -21.377 -5.931 274 HG LEU 34 HG LEU 34 -0.723 -18.916 -7.516 275 HD11 LEU 34 1HD1 LEU 34 1.578 -18.134 -6.413 276 HD12 LEU 34 2HD1 LEU 34 0.967 -19.086 -5.060 277 HD13 LEU 34 3HD1 LEU 34 0.026 -17.732 -5.681 278 HD21 LEU 34 3HD2 LEU 34 1.966 -20.202 -7.327 279 HD22 LEU 34 1HD2 LEU 34 1.146 -19.521 -8.731 280 HD23 LEU 34 2HD2 LEU 34 0.689 -21.113 -8.129 281 H PHE 35 H PHE 35 -3.533 -21.657 -5.131 282 HA PHE 35 HA PHE 35 -3.403 -24.585 -5.648 283 HB2 PHE 35 2HB PHE 35 -3.216 -23.274 -2.921 284 HB3 PHE 35 1HB PHE 35 -3.348 -25.010 -3.211 285 HD1 PHE 35 2HD PHE 35 -1.541 -26.169 -4.566 286 HD2 PHE 35 1HD PHE 35 -1.125 -22.158 -3.080 287 HE1 PHE 35 2HE PHE 35 0.916 -26.304 -4.885 288 HE2 PHE 35 1HE PHE 35 1.330 -22.295 -3.399 289 HZ PHE 35 HZ PHE 35 2.351 -24.366 -4.301 290 H ILE 36 H ILE 36 -5.444 -23.891 -6.748 291 HA ILE 36 HA ILE 36 -7.723 -22.958 -6.357 292 HB ILE 36 HB ILE 36 -7.706 -25.934 -5.852 293 HG12 ILE 36 2HG1 ILE 36 -6.218 -25.546 -7.717 294 HG13 ILE 36 1HG1 ILE 36 -7.760 -26.083 -8.384 295 HG21 ILE 36 1HG2 ILE 36 -9.661 -24.902 -7.721 296 HG22 ILE 36 2HG2 ILE 36 -9.770 -24.043 -6.186 297 HG23 ILE 36 3HG2 ILE 36 -9.929 -25.798 -6.227 298 HD11 ILE 36 3HD1 ILE 36 -8.325 -23.544 -8.529 299 HD12 ILE 36 1HD1 ILE 36 -7.215 -24.218 -9.717 300 HD13 ILE 36 2HD1 ILE 36 -6.588 -23.305 -8.347 301 H ALA 37 H ALA 37 -7.286 -21.832 -4.294 302 HA ALA 37 HA ALA 37 -7.437 -22.870 -1.771 303 HB1 ALA 37 1HB ALA 37 -7.965 -20.304 -2.976 304 HB2 ALA 37 2HB ALA 37 -7.341 -20.663 -1.368 305 HB3 ALA 37 3HB ALA 37 -9.081 -20.594 -1.645 306 HA PRO 38 HA PRO 38 -11.435 -24.619 -1.176 307 HB2 PRO 38 2HB PRO 38 -12.056 -23.834 1.376 308 HB3 PRO 38 1HB PRO 38 -10.853 -25.083 1.001 309 HG2 PRO 38 2HG PRO 38 -10.450 -22.223 1.719 310 HG3 PRO 38 1HG PRO 38 -9.515 -23.653 2.195 311 HD2 PRO 38 2HD PRO 38 -8.697 -21.926 0.243 312 HD3 PRO 38 1HD PRO 38 -8.269 -23.652 0.260 313 H ARG 39 H ARG 39 -13.677 -24.180 -1.180 314 HA ARG 39 HA ARG 39 -14.347 -21.366 -1.695 315 HB2 ARG 39 2HB ARG 39 -16.373 -22.232 -2.738 316 HB3 ARG 39 1HB ARG 39 -14.963 -23.069 -3.392 317 HG2 ARG 39 2HG ARG 39 -15.604 -24.622 -1.206 318 HG3 ARG 39 1HG ARG 39 -17.192 -24.128 -1.796 319 HD2 ARG 39 2HD ARG 39 -16.455 -26.217 -2.883 320 HD3 ARG 39 1HD ARG 39 -16.605 -24.910 -4.055 321 HE ARG 39 HE ARG 39 -13.978 -24.808 -3.284 322 HH11 ARG 39 1HH2 ARG 39 -16.117 -27.251 -4.484 323 HH12 ARG 39 2HH2 ARG 39 -14.871 -28.139 -5.293 324 HH21 ARG 39 1HH1 ARG 39 -12.339 -25.968 -4.345 325 HH22 ARG 39 2HH1 ARG 39 -12.732 -27.413 -5.216 326 H GLU 40 H GLU 40 -15.835 -20.242 -0.519 327 HA GLU 40 HA GLU 40 -16.472 -21.324 2.078 328 HB2 GLU 40 2HB GLU 40 -16.578 -18.620 0.822 329 HB3 GLU 40 1HB GLU 40 -17.577 -18.919 2.239 330 HG2 GLU 40 2HG GLU 40 -14.727 -19.812 2.328 331 HG3 GLU 40 1HG GLU 40 -15.056 -18.089 2.476 332 HA PRO 41 HA PRO 41 -20.644 -22.459 1.145 333 HB2 PRO 41 2HB PRO 41 -21.868 -21.926 3.542 334 HB3 PRO 41 1HB PRO 41 -20.816 -23.327 3.267 335 HG2 PRO 41 2HG PRO 41 -20.200 -20.732 4.590 336 HG3 PRO 41 1HG PRO 41 -19.692 -22.373 5.026 337 HD2 PRO 41 2HD PRO 41 -18.058 -20.633 3.734 338 HD3 PRO 41 1HD PRO 41 -17.963 -22.392 3.506 339 H GLY 42 H GLY 42 -21.383 -20.981 -0.379 340 HA2 GLY 42 2HA GLY 42 -23.142 -19.495 -0.950 341 HA3 GLY 42 1HA GLY 42 -23.052 -18.806 0.669 342 H ALA 43 H ALA 43 -19.998 -19.282 -0.715 343 HA ALA 43 HA ALA 43 -19.061 -16.738 -0.580 344 HB1 ALA 43 1HB ALA 43 -17.231 -17.621 -1.543 345 HB2 ALA 43 2HB ALA 43 -18.106 -17.987 -3.029 346 HB3 ALA 43 3HB ALA 43 -18.142 -19.125 -1.683 347 H VAL 44 H VAL 44 -20.204 -14.995 -1.219 348 HA VAL 44 HA VAL 44 -21.329 -13.514 -2.574 349 HB VAL 44 HB VAL 44 -19.538 -14.843 -4.623 350 HG11 VAL 44 1HG1 VAL 44 -21.148 -13.728 -5.920 351 HG12 VAL 44 2HG1 VAL 44 -19.901 -12.498 -5.717 352 HG13 VAL 44 3HG1 VAL 44 -21.359 -12.446 -4.727 353 HG21 VAL 44 3HG2 VAL 44 -18.235 -13.823 -2.874 354 HG22 VAL 44 1HG2 VAL 44 -19.272 -12.397 -2.852 355 HG23 VAL 44 2HG2 VAL 44 -18.221 -12.702 -4.235 356 H SER 45 H SER 45 -20.960 -15.846 -5.175 357 HA SER 45 HA SER 45 -22.489 -17.068 -6.382 358 HB2 SER 45 2HB SER 45 -23.922 -18.328 -5.158 359 HB3 SER 45 1HB SER 45 -23.121 -17.587 -3.776 360 HG SER 45 HG SER 45 -25.036 -16.838 -3.347 361 H TYR 46 H TYR 46 -24.948 -16.954 -7.074 362 HA TYR 46 HA TYR 46 -25.336 -14.425 -8.269 363 HB2 TYR 46 2HB TYR 46 -27.057 -16.871 -7.954 364 HB3 TYR 46 1HB TYR 46 -27.703 -15.402 -8.685 365 HD1 TYR 46 1HD TYR 46 -26.810 -14.541 -10.803 366 HD2 TYR 46 2HD TYR 46 -25.305 -18.162 -9.049 367 HE1 TYR 46 1HE TYR 46 -25.700 -15.117 -12.945 368 HE2 TYR 46 2HE TYR 46 -24.195 -18.738 -11.192 369 HH TYR 46 HH TYR 46 -23.344 -16.997 -13.345 Start of MODEL 11 1 H ALA 1 1HT ALA 1 -1.877 26.273 7.734 2 HA ALA 1 HA ALA 1 -1.924 27.027 10.547 3 HB1 ALA 1 2HB ALA 1 -4.127 27.630 8.913 4 HB2 ALA 1 3HB ALA 1 -4.127 27.496 10.671 5 HB3 ALA 1 1HB ALA 1 -4.535 26.095 9.679 6 H SER 2 H SER 2 -1.667 25.198 11.703 7 HA SER 2 HA SER 2 -0.880 22.788 10.645 8 HB2 SER 2 2HB SER 2 -0.630 23.355 13.019 9 HB3 SER 2 1HB SER 2 -2.372 23.226 13.243 10 HG SER 2 HG SER 2 -2.034 21.013 12.328 11 H LYS 3 H LYS 3 -4.163 23.877 11.355 12 HA LYS 3 HA LYS 3 -5.596 21.525 11.091 13 HB2 LYS 3 2HB LYS 3 -6.159 24.329 11.008 14 HB3 LYS 3 1HB LYS 3 -7.032 23.542 9.692 15 HG2 LYS 3 2HG LYS 3 -7.948 21.894 11.282 16 HG3 LYS 3 1HG LYS 3 -7.079 22.679 12.600 17 HD2 LYS 3 2HD LYS 3 -8.780 24.127 12.853 18 HD3 LYS 3 1HD LYS 3 -8.525 24.702 11.206 19 HE2 LYS 3 2HE LYS 3 -10.806 23.923 11.361 20 HE3 LYS 3 1HE LYS 3 -9.908 22.756 10.394 21 HZ1 LYS 3 3HZ LYS 3 -9.614 21.975 13.031 22 HZ2 LYS 3 1HZ LYS 3 -10.542 21.213 11.832 23 HZ3 LYS 3 2HZ LYS 3 -11.256 22.369 12.850 24 H GLU 4 H GLU 4 -4.299 23.625 8.553 25 HA GLU 4 HA GLU 4 -5.488 22.204 6.383 26 HB2 GLU 4 2HB GLU 4 -3.075 24.034 6.443 27 HB3 GLU 4 1HB GLU 4 -3.896 23.481 4.985 28 HG2 GLU 4 2HG GLU 4 -5.882 24.510 6.754 29 HG3 GLU 4 1HG GLU 4 -4.577 25.694 6.667 30 H LEU 5 H LEU 5 -2.249 22.177 7.844 31 HA LEU 5 HA LEU 5 -1.071 20.319 6.104 32 HB2 LEU 5 2HB LEU 5 -0.547 21.098 8.962 33 HB3 LEU 5 1HB LEU 5 0.376 19.801 8.215 34 HG LEU 5 HG LEU 5 1.434 22.097 8.024 35 HD11 LEU 5 1HD1 LEU 5 1.236 20.025 6.136 36 HD12 LEU 5 2HD1 LEU 5 2.449 21.295 6.177 37 HD13 LEU 5 3HD1 LEU 5 0.987 21.504 5.215 38 HD21 LEU 5 3HD2 LEU 5 -0.869 23.179 7.622 39 HD22 LEU 5 1HD2 LEU 5 -0.710 22.615 5.958 40 HD23 LEU 5 2HD2 LEU 5 0.457 23.751 6.626 41 H GLU 6 H GLU 6 -3.146 19.865 8.886 42 HA GLU 6 HA GLU 6 -2.716 17.062 9.170 43 HB2 GLU 6 2HB GLU 6 -4.418 19.102 10.353 44 HB3 GLU 6 1HB GLU 6 -5.289 17.588 10.105 45 HG2 GLU 6 2HG GLU 6 -4.183 17.601 12.306 46 HG3 GLU 6 1HG GLU 6 -3.484 16.362 11.265 47 H LEU 7 H LEU 7 -5.259 18.971 7.569 48 HA LEU 7 HA LEU 7 -6.793 16.811 6.642 49 HB2 LEU 7 2HB LEU 7 -6.457 19.666 5.799 50 HB3 LEU 7 1HB LEU 7 -7.380 18.570 4.772 51 HG LEU 7 HG LEU 7 -7.938 18.664 7.725 52 HD11 LEU 7 1HD1 LEU 7 -8.004 21.009 6.978 53 HD12 LEU 7 2HD1 LEU 7 -9.635 20.416 7.293 54 HD13 LEU 7 3HD1 LEU 7 -9.054 20.560 5.635 55 HD21 LEU 7 3HD2 LEU 7 -10.027 18.431 5.616 56 HD22 LEU 7 1HD2 LEU 7 -9.868 17.560 7.141 57 HD23 LEU 7 2HD2 LEU 7 -8.900 17.086 5.747 58 H ILE 8 H ILE 8 -4.014 18.475 5.224 59 HA ILE 8 HA ILE 8 -4.069 17.172 2.718 60 HB ILE 8 HB ILE 8 -1.806 18.434 4.277 61 HG12 ILE 8 2HG1 ILE 8 -3.895 19.706 3.248 62 HG13 ILE 8 1HG1 ILE 8 -2.270 20.372 3.078 63 HG21 ILE 8 1HG2 ILE 8 -0.757 18.466 1.898 64 HG22 ILE 8 2HG2 ILE 8 -1.893 17.161 1.545 65 HG23 ILE 8 3HG2 ILE 8 -0.687 16.964 2.813 66 HD11 ILE 8 3HD1 ILE 8 -3.410 18.500 1.004 67 HD12 ILE 8 1HD1 ILE 8 -2.074 19.635 0.841 68 HD13 ILE 8 2HD1 ILE 8 -3.727 20.227 0.945 69 H THR 9 H THR 9 -2.352 16.434 5.727 70 HA THR 9 HA THR 9 -0.947 14.176 4.791 71 HB THR 9 HB THR 9 -1.934 14.787 7.587 72 HG1 THR 9 1HG THR 9 0.558 15.248 6.314 73 HG21 THR 9 3HG2 THR 9 0.432 13.339 7.723 74 HG22 THR 9 1HG2 THR 9 -0.463 12.547 6.426 75 HG23 THR 9 2HG2 THR 9 -1.184 12.704 8.027 76 H LEU 10 H LEU 10 -4.141 14.504 6.298 77 HA LEU 10 HA LEU 10 -4.730 11.753 6.504 78 HB2 LEU 10 2HB LEU 10 -5.977 13.779 7.515 79 HB3 LEU 10 1HB LEU 10 -6.813 13.858 5.964 80 HG LEU 10 HG LEU 10 -7.044 11.210 6.470 81 HD11 LEU 10 1HD1 LEU 10 -7.211 12.550 9.185 82 HD12 LEU 10 2HD1 LEU 10 -5.877 11.516 8.674 83 HD13 LEU 10 3HD1 LEU 10 -7.502 10.849 8.829 84 HD21 LEU 10 3HD2 LEU 10 -8.843 13.389 7.579 85 HD22 LEU 10 1HD2 LEU 10 -9.327 11.723 7.255 86 HD23 LEU 10 2HD2 LEU 10 -8.875 12.783 5.922 87 H THR 11 H THR 11 -5.311 14.105 3.911 88 HA THR 11 HA THR 11 -6.818 12.468 2.206 89 HB THR 11 HB THR 11 -4.892 14.715 1.576 90 HG1 THR 11 1HG THR 11 -6.550 15.925 1.989 91 HG21 THR 11 3HG2 THR 11 -6.330 14.775 -0.571 92 HG22 THR 11 1HG2 THR 11 -6.771 13.118 -0.159 93 HG23 THR 11 2HG2 THR 11 -5.083 13.533 -0.459 94 H VAL 12 H VAL 12 -3.299 12.972 2.379 95 HA VAL 12 HA VAL 12 -2.642 11.226 0.246 96 HB VAL 12 HB VAL 12 -1.051 12.200 2.627 97 HG11 VAL 12 1HG1 VAL 12 0.831 11.448 0.856 98 HG12 VAL 12 2HG1 VAL 12 -0.405 10.249 0.470 99 HG13 VAL 12 3HG1 VAL 12 0.231 10.363 2.111 100 HG21 VAL 12 3HG2 VAL 12 -0.669 14.021 1.353 101 HG22 VAL 12 1HG2 VAL 12 -1.887 13.424 0.229 102 HG23 VAL 12 2HG2 VAL 12 -0.188 13.019 -0.016 103 H GLY 13 H GLY 13 -2.988 10.733 3.732 104 HA2 GLY 13 2HA GLY 13 -1.992 8.112 3.888 105 HA3 GLY 13 1HA GLY 13 -3.167 8.816 4.995 106 H PHE 14 H PHE 14 -5.281 9.305 3.259 107 HA PHE 14 HA PHE 14 -6.609 6.844 3.190 108 HB2 PHE 14 2HB PHE 14 -7.793 8.993 3.167 109 HB3 PHE 14 1HB PHE 14 -7.157 9.336 1.558 110 HD1 PHE 14 1HD PHE 14 -8.909 6.530 3.348 111 HD2 PHE 14 2HD PHE 14 -8.563 8.868 -0.241 112 HE1 PHE 14 1HE PHE 14 -10.784 5.262 2.340 113 HE2 PHE 14 2HE PHE 14 -10.437 7.599 -1.248 114 HZ PHE 14 HZ PHE 14 -11.549 5.796 0.042 115 H GLY 15 H GLY 15 -5.159 8.694 0.500 116 HA2 GLY 15 2HA GLY 15 -5.710 6.865 -1.551 117 HA3 GLY 15 1HA GLY 15 -4.370 8.006 -1.552 118 H ILE 16 H ILE 16 -3.007 7.004 0.728 119 HA ILE 16 HA ILE 16 -1.458 4.953 -0.474 120 HB ILE 16 HB ILE 16 -1.541 6.083 2.325 121 HG12 ILE 16 2HG1 ILE 16 0.570 6.255 0.155 122 HG13 ILE 16 1HG1 ILE 16 -0.689 7.469 0.383 123 HG21 ILE 16 1HG2 ILE 16 -0.732 3.885 2.676 124 HG22 ILE 16 2HG2 ILE 16 0.728 4.851 2.484 125 HG23 ILE 16 3HG2 ILE 16 0.140 3.872 1.143 126 HD11 ILE 16 3HD1 ILE 16 1.350 8.166 1.549 127 HD12 ILE 16 1HD1 ILE 16 1.389 6.640 2.432 128 HD13 ILE 16 2HD1 ILE 16 0.090 7.795 2.725 129 H LEU 17 H LEU 17 -3.697 4.910 2.300 130 HA LEU 17 HA LEU 17 -3.503 2.218 2.953 131 HB2 LEU 17 2HB LEU 17 -4.855 4.189 4.050 132 HB3 LEU 17 1HB LEU 17 -6.171 3.577 3.045 133 HG LEU 17 HG LEU 17 -5.299 1.241 4.054 134 HD11 LEU 17 1HD1 LEU 17 -4.766 3.284 6.236 135 HD12 LEU 17 2HD1 LEU 17 -3.521 2.374 5.379 136 HD13 LEU 17 3HD1 LEU 17 -4.680 1.530 6.407 137 HD21 LEU 17 3HD2 LEU 17 -7.098 1.474 5.753 138 HD22 LEU 17 1HD2 LEU 17 -7.599 2.090 4.178 139 HD23 LEU 17 2HD2 LEU 17 -7.132 3.213 5.456 140 H ILE 18 H ILE 18 -5.372 3.794 0.418 141 HA ILE 18 HA ILE 18 -6.963 1.572 -0.328 142 HB ILE 18 HB ILE 18 -6.016 4.003 -1.853 143 HG12 ILE 18 2HG1 ILE 18 -8.785 3.237 -0.896 144 HG13 ILE 18 1HG1 ILE 18 -7.667 4.179 0.091 145 HG21 ILE 18 1HG2 ILE 18 -7.673 1.644 -2.710 146 HG22 ILE 18 2HG2 ILE 18 -6.415 2.497 -3.604 147 HG23 ILE 18 3HG2 ILE 18 -7.998 3.241 -3.385 148 HD11 ILE 18 3HD1 ILE 18 -8.015 6.057 -1.119 149 HD12 ILE 18 1HD1 ILE 18 -9.423 5.224 -1.781 150 HD13 ILE 18 2HD1 ILE 18 -7.885 5.189 -2.649 151 H PHE 19 H PHE 19 -3.964 2.856 -1.780 152 HA PHE 19 HA PHE 19 -3.555 0.854 -3.682 153 HB2 PHE 19 2HB PHE 19 -2.106 3.055 -2.681 154 HB3 PHE 19 1HB PHE 19 -1.041 1.660 -2.511 155 HD1 PHE 19 1HD PHE 19 -3.480 3.085 -4.990 156 HD2 PHE 19 2HD PHE 19 0.263 1.073 -4.353 157 HE1 PHE 19 1HE PHE 19 -3.042 3.125 -7.431 158 HE2 PHE 19 2HE PHE 19 0.700 1.113 -6.792 159 HZ PHE 19 HZ PHE 19 -0.952 2.139 -8.332 160 H SER 20 H SER 20 -2.455 0.994 -0.297 161 HA SER 20 HA SER 20 -0.967 -1.356 -0.220 162 HB2 SER 20 2HB SER 20 -2.227 0.416 1.716 163 HB3 SER 20 1HB SER 20 -2.231 -1.260 2.251 164 HG SER 20 HG SER 20 -0.007 0.265 1.353 165 H LEU 21 H LEU 21 -4.452 -0.892 0.300 166 HA LEU 21 HA LEU 21 -5.098 -3.534 0.972 167 HB2 LEU 21 2HB LEU 21 -6.641 -1.589 1.190 168 HB3 LEU 21 1HB LEU 21 -6.808 -1.561 -0.560 169 HG LEU 21 HG LEU 21 -7.614 -3.940 -0.476 170 HD11 LEU 21 1HD1 LEU 21 -6.910 -4.934 1.478 171 HD12 LEU 21 2HD1 LEU 21 -8.504 -4.400 2.012 172 HD13 LEU 21 3HD1 LEU 21 -7.076 -3.455 2.420 173 HD21 LEU 21 3HD2 LEU 21 -9.838 -3.362 0.551 174 HD22 LEU 21 1HD2 LEU 21 -9.259 -2.178 -0.621 175 HD23 LEU 21 2HD2 LEU 21 -9.124 -1.847 1.106 176 H ILE 22 H ILE 22 -5.260 -1.925 -2.209 177 HA ILE 22 HA ILE 22 -6.026 -4.145 -3.726 178 HB ILE 22 HB ILE 22 -4.282 -1.792 -4.493 179 HG12 ILE 22 2HG1 ILE 22 -7.218 -2.317 -5.037 180 HG13 ILE 22 1HG1 ILE 22 -6.647 -1.367 -3.665 181 HG21 ILE 22 1HG2 ILE 22 -5.534 -4.021 -6.095 182 HG22 ILE 22 2HG2 ILE 22 -3.881 -3.407 -6.170 183 HG23 ILE 22 3HG2 ILE 22 -5.207 -2.451 -6.825 184 HD11 ILE 22 3HD1 ILE 22 -6.233 -0.771 -6.605 185 HD12 ILE 22 1HD1 ILE 22 -5.400 0.093 -5.313 186 HD13 ILE 22 2HD1 ILE 22 -7.155 0.181 -5.443 187 H VAL 23 H VAL 23 -2.867 -3.167 -2.547 188 HA VAL 23 HA VAL 23 -1.345 -5.002 -4.107 189 HB VAL 23 HB VAL 23 -0.677 -3.652 -1.480 190 HG11 VAL 23 1HG1 VAL 23 0.778 -5.516 -3.264 191 HG12 VAL 23 2HG1 VAL 23 1.014 -5.184 -1.549 192 HG13 VAL 23 3HG1 VAL 23 1.683 -4.090 -2.759 193 HG21 VAL 23 3HG2 VAL 23 -1.075 -2.565 -4.036 194 HG22 VAL 23 1HG2 VAL 23 0.676 -2.715 -3.878 195 HG23 VAL 23 2HG2 VAL 23 -0.241 -1.793 -2.686 196 H THR 24 H THR 24 -2.498 -5.047 -0.736 197 HA THR 24 HA THR 24 -1.485 -7.604 -0.092 198 HB THR 24 HB THR 24 -3.855 -6.120 1.064 199 HG1 THR 24 1HG THR 24 -1.247 -6.375 2.107 200 HG21 THR 24 3HG2 THR 24 -2.295 -8.539 1.991 201 HG22 THR 24 1HG2 THR 24 -4.029 -8.424 1.697 202 HG23 THR 24 2HG2 THR 24 -3.309 -7.582 3.069 203 H TYR 25 H TYR 25 -4.398 -6.533 -1.707 204 HA TYR 25 HA TYR 25 -5.819 -9.016 -1.508 205 HB2 TYR 25 2HB TYR 25 -6.933 -6.860 -1.988 206 HB3 TYR 25 1HB TYR 25 -6.110 -6.796 -3.546 207 HD1 TYR 25 2HD TYR 25 -8.239 -9.113 -1.499 208 HD2 TYR 25 1HD TYR 25 -7.176 -7.706 -5.416 209 HE1 TYR 25 2HE TYR 25 -10.012 -10.535 -2.490 210 HE2 TYR 25 1HE TYR 25 -8.948 -9.128 -6.408 211 HH TYR 25 HH TYR 25 -10.379 -10.834 -5.996 212 H CYS 26 H CYS 26 -3.769 -7.545 -4.014 213 HA CYS 26 HA CYS 26 -4.051 -9.546 -5.964 214 HB2 CYS 26 2HB CYS 26 -1.686 -7.748 -5.380 215 HB3 CYS 26 1HB CYS 26 -1.904 -8.688 -6.857 216 HG CYS 26 HG CYS 26 -4.010 -7.242 -7.417 217 H ILE 27 H ILE 27 -1.831 -9.251 -3.222 218 HA ILE 27 HA ILE 27 -0.226 -11.507 -3.851 219 HB ILE 27 HB ILE 27 -0.780 -10.017 -1.286 220 HG12 ILE 27 2HG1 ILE 27 1.813 -10.319 -2.803 221 HG13 ILE 27 1HG1 ILE 27 0.628 -9.093 -3.255 222 HG21 ILE 27 1HG2 ILE 27 0.822 -12.518 -1.783 223 HG22 ILE 27 2HG2 ILE 27 -0.274 -12.154 -0.450 224 HG23 ILE 27 3HG2 ILE 27 1.309 -11.381 -0.526 225 HD11 ILE 27 3HD1 ILE 27 2.572 -8.665 -1.414 226 HD12 ILE 27 1HD1 ILE 27 1.280 -9.252 -0.365 227 HD13 ILE 27 2HD1 ILE 27 1.015 -7.836 -1.385 228 H ASN 28 H ASN 28 -3.054 -11.092 -1.727 229 HA ASN 28 HA ASN 28 -3.218 -13.627 -0.636 230 HB2 ASN 28 2HB ASN 28 -5.329 -11.640 -1.441 231 HB3 ASN 28 1HB ASN 28 -5.764 -13.189 -0.721 232 HD21 ASN 28 1HD2 ASN 28 -4.211 -13.657 1.350 233 HD22 ASN 28 2HD2 ASN 28 -4.096 -12.349 2.425 234 H ALA 29 H ALA 29 -4.345 -12.506 -3.801 235 HA ALA 29 HA ALA 29 -5.649 -14.900 -4.569 236 HB1 ALA 29 1HB ALA 29 -5.160 -12.365 -5.705 237 HB2 ALA 29 2HB ALA 29 -6.180 -13.650 -6.351 238 HB3 ALA 29 3HB ALA 29 -4.486 -13.545 -6.830 239 H LYS 30 H LYS 30 -2.381 -13.669 -5.301 240 HA LYS 30 HA LYS 30 -1.466 -15.806 -6.828 241 HB2 LYS 30 2HB LYS 30 0.111 -14.119 -4.874 242 HB3 LYS 30 1HB LYS 30 0.790 -15.105 -6.168 243 HG2 LYS 30 2HG LYS 30 -1.335 -13.243 -7.029 244 HG3 LYS 30 1HG LYS 30 0.130 -12.460 -6.437 245 HD2 LYS 30 2HD LYS 30 0.249 -14.724 -8.431 246 HD3 LYS 30 1HD LYS 30 0.042 -13.051 -8.948 247 HE2 LYS 30 2HE LYS 30 2.203 -13.492 -6.972 248 HE3 LYS 30 1HE LYS 30 2.472 -14.216 -8.556 249 HZ1 LYS 30 3HZ LYS 30 1.995 -12.060 -9.560 250 HZ2 LYS 30 1HZ LYS 30 3.308 -11.966 -8.490 251 HZ3 LYS 30 2HZ LYS 30 1.786 -11.377 -8.017 252 H ALA 31 H ALA 31 -1.819 -15.506 -3.363 253 HA ALA 31 HA ALA 31 -0.369 -17.956 -2.807 254 HB1 ALA 31 1HB ALA 31 -0.505 -15.939 -1.250 255 HB2 ALA 31 2HB ALA 31 -0.807 -17.513 -0.514 256 HB3 ALA 31 3HB ALA 31 -2.158 -16.448 -0.904 257 H ASP 32 H ASP 32 -3.749 -16.860 -2.687 258 HA ASP 32 HA ASP 32 -4.964 -19.176 -1.782 259 HB2 ASP 32 2HB ASP 32 -5.965 -17.186 -3.829 260 HB3 ASP 32 1HB ASP 32 -6.973 -18.404 -3.046 261 H VAL 33 H VAL 33 -3.566 -18.487 -4.892 262 HA VAL 33 HA VAL 33 -4.838 -20.498 -6.414 263 HB VAL 33 HB VAL 33 -2.099 -19.243 -6.710 264 HG11 VAL 33 1HG1 VAL 33 -2.554 -20.025 -9.160 265 HG12 VAL 33 2HG1 VAL 33 -3.666 -21.171 -8.411 266 HG13 VAL 33 3HG1 VAL 33 -1.952 -21.203 -7.993 267 HG21 VAL 33 3HG2 VAL 33 -4.609 -18.113 -6.972 268 HG22 VAL 33 1HG2 VAL 33 -4.244 -18.620 -8.622 269 HG23 VAL 33 2HG2 VAL 33 -3.149 -17.532 -7.770 270 H LEU 34 H LEU 34 -2.709 -20.747 -3.817 271 HA LEU 34 HA LEU 34 -1.755 -23.402 -4.668 272 HB2 LEU 34 2HB LEU 34 -0.746 -21.389 -2.676 273 HB3 LEU 34 1HB LEU 34 -0.282 -23.080 -2.556 274 HG LEU 34 HG LEU 34 0.511 -23.004 -4.921 275 HD11 LEU 34 1HD1 LEU 34 -0.608 -20.252 -4.665 276 HD12 LEU 34 2HD1 LEU 34 -0.558 -21.319 -6.065 277 HD13 LEU 34 3HD1 LEU 34 0.885 -20.426 -5.584 278 HD21 LEU 34 3HD2 LEU 34 2.518 -22.505 -4.038 279 HD22 LEU 34 1HD2 LEU 34 1.703 -21.851 -2.617 280 HD23 LEU 34 2HD2 LEU 34 2.093 -20.795 -3.974 281 H PHE 35 H PHE 35 -4.343 -22.221 -3.208 282 HA PHE 35 HA PHE 35 -4.553 -24.531 -1.381 283 HB2 PHE 35 2HB PHE 35 -5.222 -21.650 -0.796 284 HB3 PHE 35 1HB PHE 35 -5.956 -22.978 0.104 285 HD1 PHE 35 2HD PHE 35 -2.804 -21.218 -0.667 286 HD2 PHE 35 1HD PHE 35 -4.641 -24.366 1.607 287 HE1 PHE 35 2HE PHE 35 -0.765 -21.394 0.734 288 HE2 PHE 35 1HE PHE 35 -2.603 -24.543 3.008 289 HZ PHE 35 HZ PHE 35 -0.665 -23.058 2.573 290 H ILE 36 H ILE 36 -5.665 -25.449 -3.254 291 HA ILE 36 HA ILE 36 -7.506 -25.721 -4.686 292 HB ILE 36 HB ILE 36 -8.925 -25.470 -2.025 293 HG12 ILE 36 2HG1 ILE 36 -7.007 -26.827 -1.560 294 HG13 ILE 36 1HG1 ILE 36 -8.331 -27.954 -1.836 295 HG21 ILE 36 1HG2 ILE 36 -9.979 -25.997 -4.449 296 HG22 ILE 36 2HG2 ILE 36 -10.584 -26.754 -2.979 297 HG23 ILE 36 3HG2 ILE 36 -9.455 -27.623 -4.020 298 HD11 ILE 36 3HD1 ILE 36 -6.067 -27.233 -3.695 299 HD12 ILE 36 1HD1 ILE 36 -7.553 -27.982 -4.295 300 HD13 ILE 36 2HD1 ILE 36 -6.549 -28.830 -3.123 301 H ALA 37 H ALA 37 -6.986 -23.313 -5.292 302 HA ALA 37 HA ALA 37 -8.373 -21.115 -4.557 303 HB1 ALA 37 1HB ALA 37 -7.317 -20.388 -6.395 304 HB2 ALA 37 2HB ALA 37 -8.609 -21.101 -7.363 305 HB3 ALA 37 3HB ALA 37 -7.157 -22.034 -7.005 306 HA PRO 38 HA PRO 38 -12.688 -21.717 -5.124 307 HB2 PRO 38 2HB PRO 38 -13.465 -19.329 -6.252 308 HB3 PRO 38 1HB PRO 38 -13.062 -19.530 -4.536 309 HG2 PRO 38 2HG PRO 38 -11.424 -18.411 -6.749 310 HG3 PRO 38 1HG PRO 38 -11.533 -17.908 -5.055 311 HD2 PRO 38 2HD PRO 38 -9.464 -19.373 -6.044 312 HD3 PRO 38 1HD PRO 38 -10.000 -19.467 -4.354 313 H ARG 39 H ARG 39 -14.421 -21.976 -6.698 314 HA ARG 39 HA ARG 39 -13.579 -21.928 -9.519 315 HB2 ARG 39 2HB ARG 39 -14.410 -24.172 -9.894 316 HB3 ARG 39 1HB ARG 39 -13.220 -24.224 -8.594 317 HG2 ARG 39 2HG ARG 39 -15.153 -24.028 -6.961 318 HG3 ARG 39 1HG ARG 39 -16.236 -24.283 -8.329 319 HD2 ARG 39 2HD ARG 39 -15.932 -26.450 -7.469 320 HD3 ARG 39 1HD ARG 39 -14.801 -26.380 -8.817 321 HE ARG 39 HE ARG 39 -13.643 -25.593 -6.285 322 HH11 ARG 39 1HH2 ARG 39 -14.447 -28.192 -8.424 323 HH12 ARG 39 2HH2 ARG 39 -13.233 -29.260 -7.804 324 HH21 ARG 39 1HH1 ARG 39 -12.049 -26.989 -5.468 325 HH22 ARG 39 2HH1 ARG 39 -11.875 -28.579 -6.131 326 H GLU 40 H GLU 40 -15.355 -21.967 -11.025 327 HA GLU 40 HA GLU 40 -17.822 -20.884 -9.840 328 HB2 GLU 40 2HB GLU 40 -17.770 -20.463 -12.649 329 HB3 GLU 40 1HB GLU 40 -17.636 -19.258 -11.367 330 HG2 GLU 40 2HG GLU 40 -15.208 -19.663 -11.233 331 HG3 GLU 40 1HG GLU 40 -15.338 -20.870 -12.512 332 HA PRO 41 HA PRO 41 -20.589 -24.049 -11.119 333 HB2 PRO 41 2HB PRO 41 -21.647 -22.213 -13.226 334 HB3 PRO 41 1HB PRO 41 -22.520 -23.122 -11.977 335 HG2 PRO 41 2HG PRO 41 -22.007 -20.463 -11.816 336 HG3 PRO 41 1HG PRO 41 -22.223 -21.514 -10.413 337 HD2 PRO 41 2HD PRO 41 -19.793 -20.189 -11.354 338 HD3 PRO 41 1HD PRO 41 -20.110 -20.989 -9.801 339 H GLY 42 H GLY 42 -19.935 -25.774 -12.266 340 HA2 GLY 42 2HA GLY 42 -19.812 -26.877 -14.421 341 HA3 GLY 42 1HA GLY 42 -19.138 -25.395 -15.087 342 H ALA 43 H ALA 43 -17.283 -24.841 -13.012 343 HA ALA 43 HA ALA 43 -15.040 -25.221 -12.633 344 HB1 ALA 43 1HB ALA 43 -15.874 -26.668 -10.919 345 HB2 ALA 43 2HB ALA 43 -14.572 -27.536 -11.731 346 HB3 ALA 43 3HB ALA 43 -16.253 -27.935 -12.086 347 H VAL 44 H VAL 44 -15.496 -28.515 -13.730 348 HA VAL 44 HA VAL 44 -13.859 -27.903 -16.120 349 HB VAL 44 HB VAL 44 -13.850 -30.452 -14.491 350 HG11 VAL 44 1HG1 VAL 44 -11.824 -30.920 -15.893 351 HG12 VAL 44 2HG1 VAL 44 -12.198 -29.481 -16.842 352 HG13 VAL 44 3HG1 VAL 44 -13.316 -30.844 -16.831 353 HG21 VAL 44 3HG2 VAL 44 -12.836 -28.567 -13.264 354 HG22 VAL 44 1HG2 VAL 44 -11.829 -28.193 -14.663 355 HG23 VAL 44 2HG2 VAL 44 -11.596 -29.706 -13.788 356 H SER 45 H SER 45 -14.715 -28.441 -18.022 357 HA SER 45 HA SER 45 -16.547 -30.680 -18.269 358 HB2 SER 45 2HB SER 45 -17.732 -28.310 -17.693 359 HB3 SER 45 1HB SER 45 -17.655 -28.206 -19.450 360 HG SER 45 HG SER 45 -19.552 -29.266 -18.731 361 H TYR 46 H TYR 46 -15.139 -27.825 -19.852 362 HA TYR 46 HA TYR 46 -15.068 -29.269 -22.406 363 HB2 TYR 46 2HB TYR 46 -14.970 -26.428 -21.572 364 HB3 TYR 46 1HB TYR 46 -13.985 -26.857 -22.971 365 HD1 TYR 46 2HD TYR 46 -15.119 -28.239 -24.845 366 HD2 TYR 46 1HD TYR 46 -17.291 -26.114 -21.807 367 HE1 TYR 46 2HE TYR 46 -17.152 -28.287 -26.264 368 HE2 TYR 46 1HE TYR 46 -19.325 -26.164 -23.227 369 HH TYR 46 HH TYR 46 -19.939 -28.099 -25.488 Start of MODEL 12 1 H ALA 1 1HT ALA 1 -3.344 28.861 8.651 2 HA ALA 1 HA ALA 1 -4.358 26.902 7.238 3 HB1 ALA 1 2HB ALA 1 -1.567 26.652 6.837 4 HB2 ALA 1 3HB ALA 1 -1.841 28.306 7.386 5 HB3 ALA 1 1HB ALA 1 -2.683 27.699 5.961 6 H SER 2 H SER 2 -3.203 26.277 10.254 7 HA SER 2 HA SER 2 -1.762 23.886 10.041 8 HB2 SER 2 2HB SER 2 -1.759 24.683 12.203 9 HB3 SER 2 1HB SER 2 -3.455 25.155 12.146 10 HG SER 2 HG SER 2 -3.457 23.352 13.357 11 H LYS 3 H LYS 3 -5.245 24.488 10.058 12 HA LYS 3 HA LYS 3 -6.097 21.804 10.223 13 HB2 LYS 3 2HB LYS 3 -7.504 24.061 8.784 14 HB3 LYS 3 1HB LYS 3 -8.238 22.607 9.462 15 HG2 LYS 3 2HG LYS 3 -6.815 24.773 11.039 16 HG3 LYS 3 1HG LYS 3 -8.560 24.516 10.980 17 HD2 LYS 3 2HD LYS 3 -7.900 22.062 11.724 18 HD3 LYS 3 1HD LYS 3 -6.448 22.866 12.318 19 HE2 LYS 3 2HE LYS 3 -8.051 22.855 14.121 20 HE3 LYS 3 1HE LYS 3 -7.950 24.507 13.514 21 HZ1 LYS 3 3HZ LYS 3 -10.250 23.655 13.861 22 HZ2 LYS 3 1HZ LYS 3 -9.984 22.551 12.601 23 HZ3 LYS 3 2HZ LYS 3 -9.941 24.222 12.290 24 H GLU 4 H GLU 4 -5.425 23.894 7.428 25 HA GLU 4 HA GLU 4 -6.212 22.144 5.397 26 HB2 GLU 4 2HB GLU 4 -4.292 24.424 5.581 27 HB3 GLU 4 1HB GLU 4 -4.248 23.405 4.141 28 HG2 GLU 4 2HG GLU 4 -6.608 23.807 3.724 29 HG3 GLU 4 1HG GLU 4 -6.760 24.701 5.235 30 H LEU 5 H LEU 5 -3.075 22.469 7.033 31 HA LEU 5 HA LEU 5 -1.727 20.502 5.493 32 HB2 LEU 5 2HB LEU 5 -1.233 21.800 8.157 33 HB3 LEU 5 1HB LEU 5 -0.231 20.449 7.628 34 HG LEU 5 HG LEU 5 -0.716 22.664 5.684 35 HD11 LEU 5 1HD1 LEU 5 0.831 22.880 8.239 36 HD12 LEU 5 2HD1 LEU 5 -0.088 24.116 7.378 37 HD13 LEU 5 3HD1 LEU 5 1.502 23.627 6.790 38 HD21 LEU 5 3HD2 LEU 5 0.652 20.428 5.427 39 HD22 LEU 5 1HD2 LEU 5 1.893 21.311 6.317 40 HD23 LEU 5 2HD2 LEU 5 1.308 21.927 4.773 41 H GLU 6 H GLU 6 -3.377 20.370 8.644 42 HA GLU 6 HA GLU 6 -2.838 17.707 9.286 43 HB2 GLU 6 2HB GLU 6 -4.057 19.592 10.632 44 HB3 GLU 6 1HB GLU 6 -5.512 18.920 9.896 45 HG2 GLU 6 2HG GLU 6 -4.723 16.641 10.715 46 HG3 GLU 6 1HG GLU 6 -3.511 17.499 11.666 47 H LEU 7 H LEU 7 -5.368 19.101 7.246 48 HA LEU 7 HA LEU 7 -6.812 16.683 6.844 49 HB2 LEU 7 2HB LEU 7 -6.716 19.355 5.494 50 HB3 LEU 7 1HB LEU 7 -7.558 18.020 4.707 51 HG LEU 7 HG LEU 7 -8.103 18.523 7.606 52 HD11 LEU 7 1HD1 LEU 7 -8.241 20.760 6.561 53 HD12 LEU 7 2HD1 LEU 7 -9.839 20.171 7.013 54 HD13 LEU 7 3HD1 LEU 7 -9.323 20.114 5.328 55 HD21 LEU 7 3HD2 LEU 7 -9.909 17.765 5.289 56 HD22 LEU 7 1HD2 LEU 7 -10.271 17.623 7.009 57 HD23 LEU 7 2HD2 LEU 7 -9.043 16.589 6.278 58 H ILE 8 H ILE 8 -4.230 18.308 5.039 59 HA ILE 8 HA ILE 8 -4.156 16.621 2.802 60 HB ILE 8 HB ILE 8 -2.000 18.213 4.192 61 HG12 ILE 8 2HG1 ILE 8 -4.072 19.171 2.850 62 HG13 ILE 8 1HG1 ILE 8 -2.466 19.862 2.616 63 HG21 ILE 8 1HG2 ILE 8 -1.885 16.430 1.769 64 HG22 ILE 8 2HG2 ILE 8 -0.727 16.575 3.091 65 HG23 ILE 8 3HG2 ILE 8 -0.846 17.852 1.880 66 HD11 ILE 8 3HD1 ILE 8 -2.147 18.741 0.570 67 HD12 ILE 8 1HD1 ILE 8 -3.842 19.219 0.505 68 HD13 ILE 8 2HD1 ILE 8 -3.409 17.560 0.916 69 H THR 9 H THR 9 -2.391 16.401 5.888 70 HA THR 9 HA THR 9 -0.881 14.124 5.363 71 HB THR 9 HB THR 9 -2.161 14.891 7.997 72 HG1 THR 9 1HG THR 9 -0.852 16.504 7.877 73 HG21 THR 9 3HG2 THR 9 -0.106 13.722 8.893 74 HG22 THR 9 1HG2 THR 9 0.191 13.137 7.256 75 HG23 THR 9 2HG2 THR 9 -1.275 12.657 8.111 76 H LEU 10 H LEU 10 -4.151 14.347 6.761 77 HA LEU 10 HA LEU 10 -4.556 11.585 7.117 78 HB2 LEU 10 2HB LEU 10 -6.392 13.943 6.814 79 HB3 LEU 10 1HB LEU 10 -7.048 12.306 6.888 80 HG LEU 10 HG LEU 10 -5.018 13.108 8.934 81 HD11 LEU 10 1HD1 LEU 10 -7.810 14.170 8.690 82 HD12 LEU 10 2HD1 LEU 10 -6.359 14.970 9.292 83 HD13 LEU 10 3HD1 LEU 10 -7.190 13.780 10.295 84 HD21 LEU 10 3HD2 LEU 10 -7.562 11.609 9.439 85 HD22 LEU 10 1HD2 LEU 10 -5.967 11.379 10.156 86 HD23 LEU 10 2HD2 LEU 10 -6.290 10.808 8.519 87 H THR 11 H THR 11 -5.295 13.724 4.381 88 HA THR 11 HA THR 11 -6.644 11.821 2.796 89 HB THR 11 HB THR 11 -5.023 14.239 1.964 90 HG1 THR 11 1HG THR 11 -7.749 13.784 2.568 91 HG21 THR 11 3HG2 THR 11 -6.899 12.404 0.472 92 HG22 THR 11 1HG2 THR 11 -5.269 12.906 0.019 93 HG23 THR 11 2HG2 THR 11 -6.602 14.060 -0.061 94 H VAL 12 H VAL 12 -3.220 12.726 2.998 95 HA VAL 12 HA VAL 12 -2.274 11.149 0.871 96 HB VAL 12 HB VAL 12 -0.851 11.875 3.444 97 HG11 VAL 12 1HG1 VAL 12 1.184 11.617 2.046 98 HG12 VAL 12 2HG1 VAL 12 0.177 11.071 0.705 99 HG13 VAL 12 3HG1 VAL 12 0.286 10.105 2.175 100 HG21 VAL 12 3HG2 VAL 12 -1.890 13.538 1.427 101 HG22 VAL 12 1HG2 VAL 12 -0.168 13.406 1.074 102 HG23 VAL 12 2HG2 VAL 12 -0.703 13.984 2.652 103 H GLY 13 H GLY 13 -2.530 10.407 4.347 104 HA2 GLY 13 2HA GLY 13 -1.495 7.800 4.252 105 HA3 GLY 13 1HA GLY 13 -2.612 8.401 5.474 106 H PHE 14 H PHE 14 -4.858 8.944 3.994 107 HA PHE 14 HA PHE 14 -6.105 6.446 3.774 108 HB2 PHE 14 2HB PHE 14 -7.306 8.596 4.094 109 HB3 PHE 14 1HB PHE 14 -6.926 9.031 2.427 110 HD1 PHE 14 1HD PHE 14 -8.552 6.357 4.480 111 HD2 PHE 14 2HD PHE 14 -8.320 8.328 0.670 112 HE1 PHE 14 1HE PHE 14 -10.520 5.069 3.693 113 HE2 PHE 14 2HE PHE 14 -10.288 7.040 -0.117 114 HZ PHE 14 HZ PHE 14 -11.388 5.410 1.395 115 H GLY 15 H GLY 15 -4.800 8.581 1.246 116 HA2 GLY 15 2HA GLY 15 -5.540 7.025 -0.976 117 HA3 GLY 15 1HA GLY 15 -4.204 8.172 -0.939 118 H ILE 16 H ILE 16 -2.716 6.892 1.146 119 HA ILE 16 HA ILE 16 -1.261 5.011 -0.439 120 HB ILE 16 HB ILE 16 -1.036 5.876 2.446 121 HG12 ILE 16 2HG1 ILE 16 0.811 6.320 0.084 122 HG13 ILE 16 1HG1 ILE 16 -0.446 7.465 0.556 123 HG21 ILE 16 1HG2 ILE 16 0.295 3.682 0.943 124 HG22 ILE 16 2HG2 ILE 16 0.002 3.843 2.675 125 HG23 ILE 16 3HG2 ILE 16 1.341 4.708 1.922 126 HD11 ILE 16 3HD1 ILE 16 1.537 8.233 1.632 127 HD12 ILE 16 1HD1 ILE 16 1.976 6.602 2.146 128 HD13 ILE 16 2HD1 ILE 16 0.606 7.425 2.892 129 H LEU 17 H LEU 17 -3.427 4.750 2.353 130 HA LEU 17 HA LEU 17 -3.101 2.035 2.919 131 HB2 LEU 17 2HB LEU 17 -5.028 4.122 3.543 132 HB3 LEU 17 1HB LEU 17 -5.805 2.550 3.352 133 HG LEU 17 HG LEU 17 -4.148 1.564 4.919 134 HD11 LEU 17 1HD1 LEU 17 -2.805 4.024 4.409 135 HD12 LEU 17 2HD1 LEU 17 -2.262 2.683 5.418 136 HD13 LEU 17 3HD1 LEU 17 -3.209 3.990 6.126 137 HD21 LEU 17 3HD2 LEU 17 -6.130 2.144 6.026 138 HD22 LEU 17 1HD2 LEU 17 -5.897 3.870 5.743 139 HD23 LEU 17 2HD2 LEU 17 -4.924 3.036 6.954 140 H ILE 18 H ILE 18 -5.171 3.647 0.543 141 HA ILE 18 HA ILE 18 -6.623 1.364 -0.277 142 HB ILE 18 HB ILE 18 -5.914 3.866 -1.829 143 HG12 ILE 18 2HG1 ILE 18 -8.504 3.189 -0.425 144 HG13 ILE 18 1HG1 ILE 18 -7.202 4.055 0.391 145 HG21 ILE 18 1HG2 ILE 18 -6.810 2.720 -3.562 146 HG22 ILE 18 2HG2 ILE 18 -8.350 2.889 -2.720 147 HG23 ILE 18 3HG2 ILE 18 -7.386 1.427 -2.510 148 HD11 ILE 18 3HD1 ILE 18 -7.598 5.974 -0.759 149 HD12 ILE 18 1HD1 ILE 18 -9.173 5.256 -1.098 150 HD13 ILE 18 2HD1 ILE 18 -7.868 5.116 -2.276 151 H PHE 19 H PHE 19 -3.809 2.964 -1.792 152 HA PHE 19 HA PHE 19 -3.381 1.120 -3.841 153 HB2 PHE 19 2HB PHE 19 -2.129 3.413 -2.963 154 HB3 PHE 19 1HB PHE 19 -0.913 2.170 -2.663 155 HD1 PHE 19 1HD PHE 19 -3.255 3.443 -5.286 156 HD2 PHE 19 2HD PHE 19 0.367 1.297 -4.436 157 HE1 PHE 19 1HE PHE 19 -2.730 3.369 -7.709 158 HE2 PHE 19 2HE PHE 19 0.893 1.224 -6.858 159 HZ PHE 19 HZ PHE 19 -0.656 2.260 -8.495 160 H SER 20 H SER 20 -2.036 1.173 -0.546 161 HA SER 20 HA SER 20 -0.426 -1.118 -0.770 162 HB2 SER 20 2HB SER 20 -1.850 -0.039 1.673 163 HB3 SER 20 1HB SER 20 -0.520 -1.194 1.687 164 HG SER 20 HG SER 20 0.714 0.432 0.571 165 H LEU 21 H LEU 21 -3.843 -0.733 0.041 166 HA LEU 21 HA LEU 21 -4.356 -3.385 0.851 167 HB2 LEU 21 2HB LEU 21 -5.918 -1.497 1.217 168 HB3 LEU 21 1HB LEU 21 -6.241 -1.451 -0.516 169 HG LEU 21 HG LEU 21 -6.513 -4.138 0.616 170 HD11 LEU 21 1HD1 LEU 21 -8.202 -1.856 1.662 171 HD12 LEU 21 2HD1 LEU 21 -7.323 -3.066 2.596 172 HD13 LEU 21 3HD1 LEU 21 -8.756 -3.529 1.677 173 HD21 LEU 21 3HD2 LEU 21 -7.258 -3.355 -1.652 174 HD22 LEU 21 1HD2 LEU 21 -8.465 -2.343 -0.859 175 HD23 LEU 21 2HD2 LEU 21 -8.553 -4.098 -0.713 176 H ILE 22 H ILE 22 -4.891 -1.824 -2.317 177 HA ILE 22 HA ILE 22 -5.766 -4.038 -3.739 178 HB ILE 22 HB ILE 22 -4.016 -1.762 -4.706 179 HG12 ILE 22 2HG1 ILE 22 -7.012 -2.102 -4.972 180 HG13 ILE 22 1HG1 ILE 22 -6.283 -1.257 -3.606 181 HG21 ILE 22 1HG2 ILE 22 -5.373 -4.049 -6.061 182 HG22 ILE 22 2HG2 ILE 22 -3.886 -3.207 -6.496 183 HG23 ILE 22 3HG2 ILE 22 -5.450 -2.476 -6.857 184 HD11 ILE 22 3HD1 ILE 22 -5.396 -0.484 -6.352 185 HD12 ILE 22 1HD1 ILE 22 -5.558 0.510 -4.905 186 HD13 ILE 22 2HD1 ILE 22 -6.991 0.049 -5.822 187 H VAL 23 H VAL 23 -2.517 -3.150 -2.763 188 HA VAL 23 HA VAL 23 -1.163 -5.020 -4.453 189 HB VAL 23 HB VAL 23 -0.279 -3.624 -1.916 190 HG11 VAL 23 1HG1 VAL 23 1.164 -5.375 -3.910 191 HG12 VAL 23 2HG1 VAL 23 1.157 -5.495 -2.150 192 HG13 VAL 23 3HG1 VAL 23 2.025 -4.179 -2.942 193 HG21 VAL 23 3HG2 VAL 23 0.103 -1.833 -3.234 194 HG22 VAL 23 1HG2 VAL 23 -0.755 -2.666 -4.529 195 HG23 VAL 23 2HG2 VAL 23 0.995 -2.821 -4.388 196 H THR 24 H THR 24 -1.950 -5.011 -0.972 197 HA THR 24 HA THR 24 -0.965 -7.597 -0.427 198 HB THR 24 HB THR 24 -3.197 -6.104 0.971 199 HG1 THR 24 1HG THR 24 -1.638 -4.847 1.544 200 HG21 THR 24 3HG2 THR 24 -2.196 -7.496 2.925 201 HG22 THR 24 1HG2 THR 24 -1.518 -8.509 1.651 202 HG23 THR 24 2HG2 THR 24 -3.265 -8.310 1.782 203 H TYR 25 H TYR 25 -4.031 -6.453 -1.687 204 HA TYR 25 HA TYR 25 -5.514 -8.842 -1.318 205 HB2 TYR 25 2HB TYR 25 -6.573 -6.669 -1.802 206 HB3 TYR 25 1HB TYR 25 -5.855 -6.683 -3.413 207 HD1 TYR 25 2HD TYR 25 -8.322 -8.304 -1.188 208 HD2 TYR 25 1HD TYR 25 -6.693 -8.137 -5.158 209 HE1 TYR 25 2HE TYR 25 -10.215 -9.673 -2.022 210 HE2 TYR 25 1HE TYR 25 -8.586 -9.504 -5.993 211 HH TYR 25 HH TYR 25 -11.329 -10.286 -3.950 212 H CYS 26 H CYS 26 -3.547 -7.617 -4.004 213 HA CYS 26 HA CYS 26 -4.130 -9.674 -5.844 214 HB2 CYS 26 2HB CYS 26 -1.668 -7.939 -5.550 215 HB3 CYS 26 1HB CYS 26 -1.999 -8.976 -6.939 216 HG CYS 26 HG CYS 26 -2.940 -6.328 -7.018 217 H ILE 27 H ILE 27 -1.610 -9.358 -3.371 218 HA ILE 27 HA ILE 27 -0.196 -11.722 -4.037 219 HB ILE 27 HB ILE 27 -0.401 -10.091 -1.507 220 HG12 ILE 27 2HG1 ILE 27 1.987 -10.577 -3.293 221 HG13 ILE 27 1HG1 ILE 27 0.812 -9.311 -3.653 222 HG21 ILE 27 1HG2 ILE 27 0.967 -12.709 -2.038 223 HG22 ILE 27 2HG2 ILE 27 0.143 -12.158 -0.580 224 HG23 ILE 27 3HG2 ILE 27 1.742 -11.534 -0.978 225 HD11 ILE 27 3HD1 ILE 27 1.561 -7.979 -1.978 226 HD12 ILE 27 1HD1 ILE 27 2.994 -9.010 -1.992 227 HD13 ILE 27 2HD1 ILE 27 1.690 -9.328 -0.849 228 H ASN 28 H ASN 28 -2.842 -11.066 -1.766 229 HA ASN 28 HA ASN 28 -2.946 -13.650 -0.615 230 HB2 ASN 28 2HB ASN 28 -4.942 -11.408 -0.872 231 HB3 ASN 28 1HB ASN 28 -5.373 -12.942 -0.118 232 HD21 ASN 28 1HD2 ASN 28 -5.038 -10.212 1.150 233 HD22 ASN 28 2HD2 ASN 28 -3.885 -10.438 2.374 234 H ALA 29 H ALA 29 -4.811 -12.177 -3.271 235 HA ALA 29 HA ALA 29 -6.403 -14.396 -3.894 236 HB1 ALA 29 1HB ALA 29 -6.107 -11.843 -4.890 237 HB2 ALA 29 2HB ALA 29 -7.156 -13.087 -5.568 238 HB3 ALA 29 3HB ALA 29 -5.537 -12.845 -6.224 239 H LYS 30 H LYS 30 -3.164 -13.488 -5.013 240 HA LYS 30 HA LYS 30 -2.826 -15.458 -6.975 241 HB2 LYS 30 2HB LYS 30 -0.819 -14.124 -5.148 242 HB3 LYS 30 1HB LYS 30 -0.369 -15.172 -6.493 243 HG2 LYS 30 2HG LYS 30 -2.327 -13.094 -7.208 244 HG3 LYS 30 1HG LYS 30 -0.766 -12.456 -6.693 245 HD2 LYS 30 2HD LYS 30 0.402 -13.716 -8.362 246 HD3 LYS 30 1HD LYS 30 -1.035 -14.668 -8.740 247 HE2 LYS 30 2HE LYS 30 -2.086 -12.882 -9.842 248 HE3 LYS 30 1HE LYS 30 -1.078 -11.674 -9.043 249 HZ1 LYS 30 3HZ LYS 30 0.174 -11.732 -10.859 250 HZ2 LYS 30 1HZ LYS 30 -0.604 -13.115 -11.461 251 HZ3 LYS 30 2HZ LYS 30 0.691 -13.276 -10.373 252 H ALA 31 H ALA 31 -1.992 -15.537 -3.510 253 HA ALA 31 HA ALA 31 -0.977 -18.171 -3.487 254 HB1 ALA 31 1HB ALA 31 -1.189 -18.051 -1.082 255 HB2 ALA 31 2HB ALA 31 -2.336 -16.717 -1.208 256 HB3 ALA 31 3HB ALA 31 -0.651 -16.478 -1.674 257 H ASP 32 H ASP 32 -4.233 -16.874 -3.018 258 HA ASP 32 HA ASP 32 -5.509 -19.192 -2.111 259 HB2 ASP 32 2HB ASP 32 -6.524 -16.886 -3.777 260 HB3 ASP 32 1HB ASP 32 -7.572 -18.160 -3.155 261 H VAL 33 H VAL 33 -4.905 -18.055 -5.420 262 HA VAL 33 HA VAL 33 -6.218 -20.298 -6.648 263 HB VAL 33 HB VAL 33 -4.332 -18.203 -7.749 264 HG11 VAL 33 1HG1 VAL 33 -5.808 -20.495 -9.047 265 HG12 VAL 33 2HG1 VAL 33 -4.114 -20.039 -9.227 266 HG13 VAL 33 3HG1 VAL 33 -5.376 -19.049 -9.958 267 HG21 VAL 33 3HG2 VAL 33 -6.205 -16.977 -8.251 268 HG22 VAL 33 1HG2 VAL 33 -6.877 -17.868 -6.884 269 HG23 VAL 33 2HG2 VAL 33 -7.194 -18.411 -8.532 270 H LEU 34 H LEU 34 -2.848 -19.382 -6.016 271 HA LEU 34 HA LEU 34 -1.473 -21.337 -7.366 272 HB2 LEU 34 2HB LEU 34 -0.978 -20.034 -4.699 273 HB3 LEU 34 1HB LEU 34 0.133 -21.247 -5.338 274 HG LEU 34 HG LEU 34 -0.737 -18.948 -7.070 275 HD11 LEU 34 1HD1 LEU 34 1.661 -18.091 -6.163 276 HD12 LEU 34 2HD1 LEU 34 1.060 -18.878 -4.704 277 HD13 LEU 34 3HD1 LEU 34 0.132 -17.579 -5.451 278 HD21 LEU 34 3HD2 LEU 34 2.029 -19.946 -7.113 279 HD22 LEU 34 1HD2 LEU 34 0.899 -19.712 -8.447 280 HD23 LEU 34 2HD2 LEU 34 0.828 -21.185 -7.479 281 H PHE 35 H PHE 35 -3.261 -21.640 -4.343 282 HA PHE 35 HA PHE 35 -2.874 -24.568 -4.498 283 HB2 PHE 35 2HB PHE 35 -3.177 -22.939 -1.965 284 HB3 PHE 35 1HB PHE 35 -2.897 -24.676 -2.075 285 HD1 PHE 35 1HD PHE 35 -0.726 -25.563 -2.836 286 HD2 PHE 35 2HD PHE 35 -1.394 -21.345 -2.374 287 HE1 PHE 35 1HE PHE 35 1.721 -25.164 -2.930 288 HE2 PHE 35 2HE PHE 35 1.052 -20.946 -2.468 289 HZ PHE 35 HZ PHE 35 2.609 -22.856 -2.746 290 H ILE 36 H ILE 36 -4.868 -24.317 -5.846 291 HA ILE 36 HA ILE 36 -7.250 -23.613 -5.801 292 HB ILE 36 HB ILE 36 -6.974 -26.455 -4.808 293 HG12 ILE 36 2HG1 ILE 36 -5.367 -26.221 -6.576 294 HG13 ILE 36 1HG1 ILE 36 -6.796 -26.958 -7.301 295 HG21 ILE 36 1HG2 ILE 36 -9.181 -24.892 -5.586 296 HG22 ILE 36 2HG2 ILE 36 -9.145 -26.644 -5.385 297 HG23 ILE 36 3HG2 ILE 36 -8.836 -25.932 -6.969 298 HD11 ILE 36 3HD1 ILE 36 -5.840 -24.107 -7.522 299 HD12 ILE 36 1HD1 ILE 36 -7.521 -24.531 -7.847 300 HD13 ILE 36 2HD1 ILE 36 -6.229 -25.239 -8.817 301 H ALA 37 H ALA 37 -7.104 -22.126 -3.872 302 HA ALA 37 HA ALA 37 -7.381 -22.682 -1.242 303 HB1 ALA 37 1HB ALA 37 -8.190 -20.541 -2.964 304 HB2 ALA 37 2HB ALA 37 -7.835 -20.490 -1.238 305 HB3 ALA 37 3HB ALA 37 -9.471 -20.844 -1.792 306 HA PRO 38 HA PRO 38 -10.797 -25.113 -0.006 307 HB2 PRO 38 2HB PRO 38 -12.154 -22.637 0.986 308 HB3 PRO 38 1HB PRO 38 -11.869 -24.177 1.819 309 HG2 PRO 38 2HG PRO 38 -10.388 -21.955 2.253 310 HG3 PRO 38 1HG PRO 38 -9.765 -23.601 2.444 311 HD2 PRO 38 2HD PRO 38 -9.057 -21.598 0.408 312 HD3 PRO 38 1HD PRO 38 -8.231 -23.115 0.826 313 H ARG 39 H ARG 39 -12.548 -25.893 -1.078 314 HA ARG 39 HA ARG 39 -13.800 -24.150 -3.095 315 HB2 ARG 39 2HB ARG 39 -14.381 -26.122 -4.284 316 HB3 ARG 39 1HB ARG 39 -12.727 -26.379 -3.725 317 HG2 ARG 39 2HG ARG 39 -13.883 -27.451 -1.631 318 HG3 ARG 39 1HG ARG 39 -15.276 -27.599 -2.701 319 HD2 ARG 39 2HD ARG 39 -12.507 -28.741 -3.147 320 HD3 ARG 39 1HD ARG 39 -13.992 -29.643 -2.861 321 HE ARG 39 HE ARG 39 -14.607 -28.259 -5.093 322 HH11 ARG 39 1HH2 ARG 39 -11.843 -30.115 -4.149 323 HH12 ARG 39 2HH2 ARG 39 -11.457 -30.616 -5.762 324 HH21 ARG 39 1HH1 ARG 39 -14.107 -28.913 -7.211 325 HH22 ARG 39 2HH1 ARG 39 -12.739 -29.937 -7.494 326 H GLU 40 H GLU 40 -15.861 -23.524 -2.913 327 HA GLU 40 HA GLU 40 -17.563 -24.890 -0.916 328 HB2 GLU 40 2HB GLU 40 -18.463 -22.221 -1.265 329 HB3 GLU 40 1HB GLU 40 -17.761 -22.948 0.182 330 HG2 GLU 40 2HG GLU 40 -16.442 -20.997 -0.470 331 HG3 GLU 40 1HG GLU 40 -15.489 -22.461 -0.709 332 HA PRO 41 HA PRO 41 -20.803 -25.702 -3.723 333 HB2 PRO 41 2HB PRO 41 -22.443 -23.629 -2.320 334 HB3 PRO 41 1HB PRO 41 -22.852 -25.308 -2.723 335 HG2 PRO 41 2HG PRO 41 -22.119 -24.513 -0.244 336 HG3 PRO 41 1HG PRO 41 -21.827 -26.141 -0.876 337 HD2 PRO 41 2HD PRO 41 -19.865 -24.024 -0.276 338 HD3 PRO 41 1HD PRO 41 -19.602 -25.755 -0.583 339 H GLY 42 H GLY 42 -19.867 -24.810 -5.598 340 HA2 GLY 42 2HA GLY 42 -19.505 -23.277 -7.296 341 HA3 GLY 42 1HA GLY 42 -21.215 -22.935 -7.050 342 H ALA 43 H ALA 43 -19.048 -22.353 -4.426 343 HA ALA 43 HA ALA 43 -18.630 -20.401 -3.264 344 HB1 ALA 43 1HB ALA 43 -17.004 -20.473 -5.306 345 HB2 ALA 43 2HB ALA 43 -17.150 -18.982 -4.376 346 HB3 ALA 43 3HB ALA 43 -17.993 -19.147 -5.916 347 H VAL 44 H VAL 44 -21.354 -20.747 -4.606 348 HA VAL 44 HA VAL 44 -22.132 -17.893 -4.561 349 HB VAL 44 HB VAL 44 -23.339 -20.186 -6.125 350 HG11 VAL 44 1HG1 VAL 44 -24.290 -17.397 -5.518 351 HG12 VAL 44 2HG1 VAL 44 -25.209 -18.902 -5.538 352 HG13 VAL 44 3HG1 VAL 44 -24.708 -18.154 -7.055 353 HG21 VAL 44 3HG2 VAL 44 -22.607 -17.755 -7.552 354 HG22 VAL 44 1HG2 VAL 44 -22.122 -19.421 -7.867 355 HG23 VAL 44 2HG2 VAL 44 -21.220 -18.444 -6.707 356 H SER 45 H SER 45 -22.971 -21.191 -3.632 357 HA SER 45 HA SER 45 -25.226 -20.237 -2.025 358 HB2 SER 45 2HB SER 45 -24.562 -22.690 -3.335 359 HB3 SER 45 1HB SER 45 -24.740 -23.008 -1.612 360 HG SER 45 HG SER 45 -26.799 -22.852 -1.949 361 H TYR 46 H TYR 46 -25.329 -21.637 0.164 362 HA TYR 46 HA TYR 46 -22.720 -21.419 1.524 363 HB2 TYR 46 2HB TYR 46 -25.046 -19.751 1.941 364 HB3 TYR 46 1HB TYR 46 -24.651 -20.648 3.408 365 HD1 TYR 46 2HD TYR 46 -22.318 -20.525 4.349 366 HD2 TYR 46 1HD TYR 46 -23.649 -17.981 1.155 367 HE1 TYR 46 2HE TYR 46 -20.412 -18.997 4.773 368 HE2 TYR 46 1HE TYR 46 -21.743 -16.452 1.577 369 HH TYR 46 HH TYR 46 -19.470 -16.588 2.596 Start of MODEL 13 1 H ALA 1 1HT ALA 1 -4.105 28.662 8.500 2 HA ALA 1 HA ALA 1 -4.362 27.026 7.055 3 HB1 ALA 1 2HB ALA 1 -1.410 27.001 6.484 4 HB2 ALA 1 3HB ALA 1 -2.366 28.430 6.087 5 HB3 ALA 1 1HB ALA 1 -2.761 26.873 5.357 6 H SER 2 H SER 2 -3.258 26.445 9.876 7 HA SER 2 HA SER 2 -1.727 24.063 9.742 8 HB2 SER 2 2HB SER 2 -2.595 25.722 11.760 9 HB3 SER 2 1HB SER 2 -3.550 24.267 12.029 10 HG SER 2 HG SER 2 -0.757 24.228 11.557 11 H LYS 3 H LYS 3 -5.200 24.697 9.771 12 HA LYS 3 HA LYS 3 -6.073 22.032 10.108 13 HB2 LYS 3 2HB LYS 3 -7.561 23.976 10.373 14 HB3 LYS 3 1HB LYS 3 -7.432 24.310 8.647 15 HG2 LYS 3 2HG LYS 3 -8.985 22.754 8.156 16 HG3 LYS 3 1HG LYS 3 -8.144 21.535 9.113 17 HD2 LYS 3 2HD LYS 3 -9.892 23.689 10.328 18 HD3 LYS 3 1HD LYS 3 -10.478 22.074 9.925 19 HE2 LYS 3 2HE LYS 3 -7.990 21.950 11.428 20 HE3 LYS 3 1HE LYS 3 -9.232 22.837 12.312 21 HZ1 LYS 3 3HZ LYS 3 -9.357 20.474 12.769 22 HZ2 LYS 3 1HZ LYS 3 -9.545 20.135 11.118 23 HZ3 LYS 3 2HZ LYS 3 -10.752 20.992 11.951 24 H GLU 4 H GLU 4 -5.336 23.941 7.210 25 HA GLU 4 HA GLU 4 -6.177 22.030 5.309 26 HB2 GLU 4 2HB GLU 4 -5.206 24.598 5.202 27 HB3 GLU 4 1HB GLU 4 -3.874 23.666 4.516 28 HG2 GLU 4 2HG GLU 4 -5.736 22.474 3.134 29 HG3 GLU 4 1HG GLU 4 -6.717 23.876 3.554 30 H LEU 5 H LEU 5 -3.029 22.625 6.839 31 HA LEU 5 HA LEU 5 -1.558 20.708 5.384 32 HB2 LEU 5 2HB LEU 5 -1.197 21.996 8.079 33 HB3 LEU 5 1HB LEU 5 -0.084 20.753 7.509 34 HG LEU 5 HG LEU 5 -0.742 22.966 5.621 35 HD11 LEU 5 1HD1 LEU 5 1.118 23.267 7.999 36 HD12 LEU 5 2HD1 LEU 5 -0.367 24.178 7.721 37 HD13 LEU 5 3HD1 LEU 5 1.014 24.393 6.646 38 HD21 LEU 5 3HD2 LEU 5 1.888 21.648 6.347 39 HD22 LEU 5 1HD2 LEU 5 1.518 22.569 4.890 40 HD23 LEU 5 2HD2 LEU 5 0.780 20.989 5.144 41 H GLU 6 H GLU 6 -3.385 20.484 8.415 42 HA GLU 6 HA GLU 6 -2.656 17.837 9.074 43 HB2 GLU 6 2HB GLU 6 -3.896 19.638 10.485 44 HB3 GLU 6 1HB GLU 6 -5.353 18.986 9.732 45 HG2 GLU 6 2HG GLU 6 -4.668 16.705 10.497 46 HG3 GLU 6 1HG GLU 6 -3.315 17.439 11.356 47 H LEU 7 H LEU 7 -5.467 19.125 7.309 48 HA LEU 7 HA LEU 7 -6.769 16.690 6.834 49 HB2 LEU 7 2HB LEU 7 -6.703 19.273 5.270 50 HB3 LEU 7 1HB LEU 7 -7.729 17.912 4.818 51 HG LEU 7 HG LEU 7 -7.797 18.845 7.659 52 HD11 LEU 7 1HD1 LEU 7 -9.161 20.235 5.333 53 HD12 LEU 7 2HD1 LEU 7 -7.973 20.943 6.429 54 HD13 LEU 7 3HD1 LEU 7 -9.570 20.494 7.029 55 HD21 LEU 7 3HD2 LEU 7 -9.051 16.842 6.498 56 HD22 LEU 7 1HD2 LEU 7 -10.125 18.109 5.904 57 HD23 LEU 7 2HD2 LEU 7 -9.923 17.867 7.640 58 H ILE 8 H ILE 8 -4.260 18.365 4.966 59 HA ILE 8 HA ILE 8 -4.183 16.674 2.739 60 HB ILE 8 HB ILE 8 -2.022 18.286 4.102 61 HG12 ILE 8 2HG1 ILE 8 -3.265 18.764 1.401 62 HG13 ILE 8 1HG1 ILE 8 -4.101 19.285 2.864 63 HG21 ILE 8 1HG2 ILE 8 -0.929 17.958 1.746 64 HG22 ILE 8 2HG2 ILE 8 -1.940 16.516 1.670 65 HG23 ILE 8 3HG2 ILE 8 -0.745 16.687 2.956 66 HD11 ILE 8 3HD1 ILE 8 -2.612 20.958 3.271 67 HD12 ILE 8 1HD1 ILE 8 -2.233 20.791 1.557 68 HD13 ILE 8 2HD1 ILE 8 -1.233 19.984 2.765 69 H THR 9 H THR 9 -2.286 16.504 5.755 70 HA THR 9 HA THR 9 -0.771 14.251 5.207 71 HB THR 9 HB THR 9 -2.013 14.944 7.880 72 HG1 THR 9 1HG THR 9 -0.805 16.630 6.717 73 HG21 THR 9 3HG2 THR 9 -0.868 13.143 8.588 74 HG22 THR 9 1HG2 THR 9 0.620 13.961 8.115 75 HG23 THR 9 2HG2 THR 9 -0.197 12.888 6.977 76 H LEU 10 H LEU 10 -4.043 14.419 6.596 77 HA LEU 10 HA LEU 10 -4.362 11.613 6.904 78 HB2 LEU 10 2HB LEU 10 -6.023 14.013 7.164 79 HB3 LEU 10 1HB LEU 10 -6.916 12.601 6.599 80 HG LEU 10 HG LEU 10 -6.052 11.282 8.489 81 HD11 LEU 10 1HD1 LEU 10 -4.029 12.016 9.239 82 HD12 LEU 10 2HD1 LEU 10 -5.002 13.043 10.293 83 HD13 LEU 10 3HD1 LEU 10 -4.359 13.688 8.783 84 HD21 LEU 10 3HD2 LEU 10 -6.945 13.361 10.200 85 HD22 LEU 10 1HD2 LEU 10 -7.898 12.033 9.538 86 HD23 LEU 10 2HD2 LEU 10 -7.798 13.566 8.671 87 H THR 11 H THR 11 -5.248 13.885 4.329 88 HA THR 11 HA THR 11 -6.736 12.195 2.697 89 HB THR 11 HB THR 11 -4.796 14.370 1.872 90 HG1 THR 11 1HG THR 11 -7.183 14.365 3.106 91 HG21 THR 11 3HG2 THR 11 -6.803 12.711 0.396 92 HG22 THR 11 1HG2 THR 11 -5.231 13.307 -0.139 93 HG23 THR 11 2HG2 THR 11 -6.610 14.405 -0.061 94 H VAL 12 H VAL 12 -3.213 12.690 2.767 95 HA VAL 12 HA VAL 12 -2.620 10.876 0.668 96 HB VAL 12 HB VAL 12 -0.942 11.907 2.963 97 HG11 VAL 12 1HG1 VAL 12 -0.310 10.083 0.652 98 HG12 VAL 12 2HG1 VAL 12 0.181 9.942 2.340 99 HG13 VAL 12 3HG1 VAL 12 0.929 11.154 1.302 100 HG21 VAL 12 3HG2 VAL 12 -0.283 12.684 0.222 101 HG22 VAL 12 1HG2 VAL 12 -0.548 13.700 1.638 102 HG23 VAL 12 2HG2 VAL 12 -1.920 13.160 0.673 103 H GLY 13 H GLY 13 -2.667 10.522 4.206 104 HA2 GLY 13 2HA GLY 13 -1.724 7.926 4.451 105 HA3 GLY 13 1HA GLY 13 -2.913 8.652 5.529 106 H PHE 14 H PHE 14 -5.030 9.029 3.753 107 HA PHE 14 HA PHE 14 -6.245 6.475 3.771 108 HB2 PHE 14 2HB PHE 14 -7.486 8.632 3.875 109 HB3 PHE 14 1HB PHE 14 -7.076 8.913 2.181 110 HD1 PHE 14 1HD PHE 14 -8.527 6.224 4.365 111 HD2 PHE 14 2HD PHE 14 -8.586 8.204 0.554 112 HE1 PHE 14 1HE PHE 14 -10.451 4.822 3.666 113 HE2 PHE 14 2HE PHE 14 -10.510 6.805 -0.146 114 HZ PHE 14 HZ PHE 14 -11.442 5.114 1.412 115 H GLY 15 H GLY 15 -5.000 8.467 1.089 116 HA2 GLY 15 2HA GLY 15 -5.588 6.703 -1.006 117 HA3 GLY 15 1HA GLY 15 -4.297 7.900 -1.027 118 H ILE 16 H ILE 16 -2.758 6.903 1.121 119 HA ILE 16 HA ILE 16 -1.212 4.929 -0.213 120 HB ILE 16 HB ILE 16 -1.162 6.012 2.604 121 HG12 ILE 16 2HG1 ILE 16 -0.445 7.284 0.396 122 HG13 ILE 16 1HG1 ILE 16 0.559 7.382 1.842 123 HG21 ILE 16 1HG2 ILE 16 -0.249 3.849 2.877 124 HG22 ILE 16 2HG2 ILE 16 1.161 4.867 2.586 125 HG23 ILE 16 3HG2 ILE 16 0.506 3.873 1.283 126 HD11 ILE 16 3HD1 ILE 16 1.001 5.212 -0.201 127 HD12 ILE 16 1HD1 ILE 16 2.124 5.828 1.010 128 HD13 ILE 16 2HD1 ILE 16 1.725 6.806 -0.402 129 H LEU 17 H LEU 17 -3.459 4.787 2.533 130 HA LEU 17 HA LEU 17 -3.102 2.086 3.203 131 HB2 LEU 17 2HB LEU 17 -4.657 4.142 4.146 132 HB3 LEU 17 1HB LEU 17 -5.861 3.068 3.433 133 HG LEU 17 HG LEU 17 -3.737 2.256 5.440 134 HD11 LEU 17 1HD1 LEU 17 -6.748 2.337 5.767 135 HD12 LEU 17 2HD1 LEU 17 -5.689 3.651 6.279 136 HD13 LEU 17 3HD1 LEU 17 -5.537 2.057 7.018 137 HD21 LEU 17 3HD2 LEU 17 -5.704 0.758 3.756 138 HD22 LEU 17 1HD2 LEU 17 -5.433 0.191 5.404 139 HD23 LEU 17 2HD2 LEU 17 -4.086 0.289 4.270 140 H ILE 18 H ILE 18 -5.177 3.628 0.791 141 HA ILE 18 HA ILE 18 -6.661 1.349 0.046 142 HB ILE 18 HB ILE 18 -5.877 3.802 -1.541 143 HG12 ILE 18 2HG1 ILE 18 -8.546 3.083 -0.311 144 HG13 ILE 18 1HG1 ILE 18 -7.323 3.995 0.573 145 HG21 ILE 18 1HG2 ILE 18 -6.612 2.605 -3.320 146 HG22 ILE 18 2HG2 ILE 18 -8.216 2.791 -2.613 147 HG23 ILE 18 3HG2 ILE 18 -7.276 1.333 -2.295 148 HD11 ILE 18 3HD1 ILE 18 -7.775 5.027 -2.131 149 HD12 ILE 18 1HD1 ILE 18 -7.742 5.889 -0.592 150 HD13 ILE 18 2HD1 ILE 18 -9.220 5.087 -1.123 151 H PHE 19 H PHE 19 -3.768 2.790 -1.471 152 HA PHE 19 HA PHE 19 -3.383 0.817 -3.424 153 HB2 PHE 19 2HB PHE 19 -1.806 2.992 -2.239 154 HB3 PHE 19 1HB PHE 19 -0.833 1.649 -2.838 155 HD1 PHE 19 1HD PHE 19 -3.402 4.160 -3.771 156 HD2 PHE 19 2HD PHE 19 -0.649 1.180 -5.185 157 HE1 PHE 19 1HE PHE 19 -3.753 4.939 -6.098 158 HE2 PHE 19 2HE PHE 19 -1.002 1.960 -7.513 159 HZ PHE 19 HZ PHE 19 -2.554 3.840 -7.969 160 H SER 20 H SER 20 -2.149 1.051 -0.104 161 HA SER 20 HA SER 20 -0.452 -1.171 -0.123 162 HB2 SER 20 2HB SER 20 -1.511 0.620 1.815 163 HB3 SER 20 1HB SER 20 -1.777 -1.017 2.407 164 HG SER 20 HG SER 20 0.665 -0.733 1.259 165 H LEU 21 H LEU 21 -3.919 -0.965 0.645 166 HA LEU 21 HA LEU 21 -4.266 -3.695 1.293 167 HB2 LEU 21 2HB LEU 21 -5.918 -2.007 1.913 168 HB3 LEU 21 1HB LEU 21 -6.259 -1.687 0.212 169 HG LEU 21 HG LEU 21 -7.034 -3.997 -0.088 170 HD11 LEU 21 1HD1 LEU 21 -6.036 -4.223 2.733 171 HD12 LEU 21 2HD1 LEU 21 -5.839 -5.345 1.386 172 HD13 LEU 21 3HD1 LEU 21 -7.388 -5.233 2.221 173 HD21 LEU 21 3HD2 LEU 21 -8.267 -2.599 2.308 174 HD22 LEU 21 1HD2 LEU 21 -9.049 -3.872 1.372 175 HD23 LEU 21 2HD2 LEU 21 -8.683 -2.322 0.616 176 H ILE 22 H ILE 22 -4.904 -1.915 -1.732 177 HA ILE 22 HA ILE 22 -5.820 -4.022 -3.289 178 HB ILE 22 HB ILE 22 -4.183 -1.594 -4.030 179 HG12 ILE 22 2HG1 ILE 22 -7.086 -2.218 -4.604 180 HG13 ILE 22 1HG1 ILE 22 -6.581 -1.434 -3.107 181 HG21 ILE 22 1HG2 ILE 22 -5.252 -3.852 -5.695 182 HG22 ILE 22 2HG2 ILE 22 -3.736 -2.964 -5.860 183 HG23 ILE 22 3HG2 ILE 22 -5.254 -2.218 -6.360 184 HD11 ILE 22 3HD1 ILE 22 -7.200 0.261 -4.767 185 HD12 ILE 22 1HD1 ILE 22 -6.049 -0.420 -5.916 186 HD13 ILE 22 2HD1 ILE 22 -5.470 0.347 -4.436 187 H VAL 23 H VAL 23 -2.541 -3.185 -2.357 188 HA VAL 23 HA VAL 23 -1.241 -4.947 -4.199 189 HB VAL 23 HB VAL 23 -0.276 -3.703 -1.613 190 HG11 VAL 23 1HG1 VAL 23 1.127 -5.587 -2.040 191 HG12 VAL 23 2HG1 VAL 23 1.995 -4.196 -2.690 192 HG13 VAL 23 3HG1 VAL 23 1.129 -5.283 -3.777 193 HG21 VAL 23 3HG2 VAL 23 0.116 -1.841 -2.830 194 HG22 VAL 23 1HG2 VAL 23 -0.864 -2.562 -4.106 195 HG23 VAL 23 2HG2 VAL 23 0.887 -2.772 -4.114 196 H THR 24 H THR 24 -1.872 -5.147 -0.692 197 HA THR 24 HA THR 24 -0.901 -7.771 -0.350 198 HB THR 24 HB THR 24 -2.965 -6.205 1.212 199 HG1 THR 24 1HG THR 24 -1.283 -5.440 2.207 200 HG21 THR 24 3HG2 THR 24 -1.811 -8.945 1.565 201 HG22 THR 24 1HG2 THR 24 -3.438 -8.361 1.914 202 HG23 THR 24 2HG2 THR 24 -2.106 -7.963 3.000 203 H TYR 25 H TYR 25 -3.995 -6.523 -1.423 204 HA TYR 25 HA TYR 25 -5.514 -8.893 -1.121 205 HB2 TYR 25 2HB TYR 25 -6.547 -6.693 -1.494 206 HB3 TYR 25 1HB TYR 25 -5.852 -6.638 -3.113 207 HD1 TYR 25 2HD TYR 25 -7.854 -8.991 -0.973 208 HD2 TYR 25 1HD TYR 25 -7.202 -7.325 -4.879 209 HE1 TYR 25 2HE TYR 25 -9.781 -10.284 -1.845 210 HE2 TYR 25 1HE TYR 25 -9.130 -8.620 -5.751 211 HH TYR 25 HH TYR 25 -10.582 -11.152 -4.009 212 H CYS 26 H CYS 26 -3.818 -7.532 -3.949 213 HA CYS 26 HA CYS 26 -4.413 -9.596 -5.751 214 HB2 CYS 26 2HB CYS 26 -1.982 -7.795 -5.611 215 HB3 CYS 26 1HB CYS 26 -2.409 -8.802 -6.995 216 HG CYS 26 HG CYS 26 -4.796 -7.139 -6.375 217 H ILE 27 H ILE 27 -1.811 -9.260 -3.384 218 HA ILE 27 HA ILE 27 -0.263 -11.478 -4.177 219 HB ILE 27 HB ILE 27 -0.632 -10.255 -1.432 220 HG12 ILE 27 2HG1 ILE 27 0.288 -8.937 -3.539 221 HG13 ILE 27 1HG1 ILE 27 1.096 -8.794 -1.979 222 HG21 ILE 27 1HG2 ILE 27 1.264 -12.319 -2.542 223 HG22 ILE 27 2HG2 ILE 27 0.353 -12.357 -1.033 224 HG23 ILE 27 3HG2 ILE 27 1.745 -11.286 -1.194 225 HD11 ILE 27 3HD1 ILE 27 1.905 -10.947 -3.923 226 HD12 ILE 27 1HD1 ILE 27 2.840 -10.239 -2.606 227 HD13 ILE 27 2HD1 ILE 27 2.547 -9.312 -4.078 228 H ASN 28 H ASN 28 -2.834 -11.205 -1.722 229 HA ASN 28 HA ASN 28 -2.808 -13.900 -0.908 230 HB2 ASN 28 2HB ASN 28 -4.885 -11.726 -0.829 231 HB3 ASN 28 1HB ASN 28 -5.264 -13.359 -0.283 232 HD21 ASN 28 1HD2 ASN 28 -1.961 -12.334 0.130 233 HD22 ASN 28 2HD2 ASN 28 -2.047 -12.056 1.802 234 H ALA 29 H ALA 29 -4.559 -12.241 -3.497 235 HA ALA 29 HA ALA 29 -6.249 -14.361 -4.253 236 HB1 ALA 29 1HB ALA 29 -6.819 -12.313 -5.209 237 HB2 ALA 29 2HB ALA 29 -6.070 -13.157 -6.565 238 HB3 ALA 29 3HB ALA 29 -5.154 -11.949 -5.664 239 H LYS 30 H LYS 30 -3.039 -13.413 -5.474 240 HA LYS 30 HA LYS 30 -2.725 -15.354 -7.438 241 HB2 LYS 30 2HB LYS 30 -0.671 -14.111 -5.597 242 HB3 LYS 30 1HB LYS 30 -0.265 -15.103 -6.998 243 HG2 LYS 30 2HG LYS 30 -2.212 -13.041 -7.669 244 HG3 LYS 30 1HG LYS 30 -0.727 -12.350 -7.011 245 HD2 LYS 30 2HD LYS 30 0.607 -13.620 -8.636 246 HD3 LYS 30 1HD LYS 30 -0.860 -14.357 -9.280 247 HE2 LYS 30 2HE LYS 30 -1.655 -12.283 -10.132 248 HE3 LYS 30 1HE LYS 30 -0.482 -11.361 -9.192 249 HZ1 LYS 30 3HZ LYS 30 0.449 -11.411 -11.289 250 HZ2 LYS 30 1HZ LYS 30 -0.045 -13.003 -11.599 251 HZ3 LYS 30 2HZ LYS 30 1.235 -12.707 -10.522 252 H ALA 31 H ALA 31 -1.885 -15.545 -3.982 253 HA ALA 31 HA ALA 31 -0.897 -18.199 -4.068 254 HB1 ALA 31 1HB ALA 31 -1.096 -16.187 -2.151 255 HB2 ALA 31 2HB ALA 31 -0.424 -17.800 -1.908 256 HB3 ALA 31 3HB ALA 31 -2.118 -17.483 -1.527 257 H ASP 32 H ASP 32 -4.096 -16.847 -3.353 258 HA ASP 32 HA ASP 32 -5.379 -19.199 -2.541 259 HB2 ASP 32 2HB ASP 32 -6.442 -16.765 -3.987 260 HB3 ASP 32 1HB ASP 32 -7.471 -18.049 -3.354 261 H VAL 33 H VAL 33 -4.628 -17.970 -5.747 262 HA VAL 33 HA VAL 33 -6.196 -20.007 -7.092 263 HB VAL 33 HB VAL 33 -4.233 -17.946 -8.119 264 HG11 VAL 33 1HG1 VAL 33 -5.541 -18.615 -10.314 265 HG12 VAL 33 2HG1 VAL 33 -5.779 -20.140 -9.461 266 HG13 VAL 33 3HG1 VAL 33 -4.146 -19.561 -9.793 267 HG21 VAL 33 3HG2 VAL 33 -7.097 -17.894 -8.856 268 HG22 VAL 33 1HG2 VAL 33 -6.030 -16.567 -8.389 269 HG23 VAL 33 2HG2 VAL 33 -6.768 -17.584 -7.152 270 H LEU 34 H LEU 34 -2.746 -19.271 -6.623 271 HA LEU 34 HA LEU 34 -1.558 -21.245 -8.107 272 HB2 LEU 34 2HB LEU 34 -0.834 -20.055 -5.440 273 HB3 LEU 34 1HB LEU 34 0.174 -21.299 -6.182 274 HG LEU 34 HG LEU 34 -0.680 -18.956 -7.846 275 HD11 LEU 34 1HD1 LEU 34 0.188 -17.625 -6.174 276 HD12 LEU 34 2HD1 LEU 34 1.690 -18.055 -6.993 277 HD13 LEU 34 3HD1 LEU 34 1.206 -18.916 -5.532 278 HD21 LEU 34 3HD2 LEU 34 1.046 -19.633 -9.200 279 HD22 LEU 34 1HD2 LEU 34 0.777 -21.173 -8.384 280 HD23 LEU 34 2HD2 LEU 34 2.066 -20.099 -7.839 281 H PHE 35 H PHE 35 -3.238 -21.570 -5.039 282 HA PHE 35 HA PHE 35 -3.095 -24.499 -5.349 283 HB2 PHE 35 2HB PHE 35 -2.574 -22.918 -2.827 284 HB3 PHE 35 1HB PHE 35 -2.925 -24.646 -2.833 285 HD1 PHE 35 2HD PHE 35 -0.549 -22.053 -4.032 286 HD2 PHE 35 1HD PHE 35 -1.283 -26.252 -3.504 287 HE1 PHE 35 2HE PHE 35 1.824 -22.536 -4.570 288 HE2 PHE 35 1HE PHE 35 1.091 -26.734 -4.042 289 HZ PHE 35 HZ PHE 35 2.643 -24.876 -4.575 290 H ILE 36 H ILE 36 -5.244 -23.869 -6.327 291 HA ILE 36 HA ILE 36 -7.482 -22.927 -5.786 292 HB ILE 36 HB ILE 36 -7.425 -25.881 -5.157 293 HG12 ILE 36 2HG1 ILE 36 -6.043 -25.589 -7.115 294 HG13 ILE 36 1HG1 ILE 36 -7.627 -26.131 -7.671 295 HG21 ILE 36 1HG2 ILE 36 -9.426 -24.038 -6.499 296 HG22 ILE 36 2HG2 ILE 36 -9.603 -24.810 -4.923 297 HG23 ILE 36 3HG2 ILE 36 -9.599 -25.791 -6.389 298 HD11 ILE 36 3HD1 ILE 36 -7.153 -24.329 -9.106 299 HD12 ILE 36 1HD1 ILE 36 -6.423 -23.374 -7.817 300 HD13 ILE 36 2HD1 ILE 36 -8.172 -23.593 -7.868 301 H ALA 37 H ALA 37 -6.886 -21.711 -3.774 302 HA ALA 37 HA ALA 37 -6.753 -22.589 -1.212 303 HB1 ALA 37 1HB ALA 37 -6.887 -20.374 -0.904 304 HB2 ALA 37 2HB ALA 37 -8.634 -20.483 -1.119 305 HB3 ALA 37 3HB ALA 37 -7.593 -20.163 -2.505 306 HA PRO 38 HA PRO 38 -10.367 -24.780 -0.082 307 HB2 PRO 38 2HB PRO 38 -10.904 -23.736 2.415 308 HB3 PRO 38 1HB PRO 38 -9.625 -24.919 2.081 309 HG2 PRO 38 2HG PRO 38 -9.434 -21.966 2.412 310 HG3 PRO 38 1HG PRO 38 -8.345 -23.240 2.985 311 HD2 PRO 38 2HD PRO 38 -7.774 -21.742 0.798 312 HD3 PRO 38 1HD PRO 38 -7.283 -23.445 0.930 313 H ARG 39 H ARG 39 -12.682 -24.588 0.433 314 HA ARG 39 HA ARG 39 -13.839 -22.240 -0.818 315 HB2 ARG 39 2HB ARG 39 -15.029 -24.800 0.265 316 HB3 ARG 39 1HB ARG 39 -15.994 -23.501 -0.439 317 HG2 ARG 39 2HG ARG 39 -14.607 -23.670 -2.519 318 HG3 ARG 39 1HG ARG 39 -13.795 -25.069 -1.815 319 HD2 ARG 39 2HD ARG 39 -16.792 -24.885 -2.203 320 HD3 ARG 39 1HD ARG 39 -15.702 -25.658 -3.351 321 HE ARG 39 HE ARG 39 -15.374 -26.679 -0.686 322 HH11 ARG 39 1HH2 ARG 39 -17.292 -26.792 -3.564 323 HH12 ARG 39 2HH2 ARG 39 -17.848 -28.410 -3.294 324 HH21 ARG 39 1HH1 ARG 39 -16.099 -28.800 -0.326 325 HH22 ARG 39 2HH1 ARG 39 -17.173 -29.547 -1.461 326 H GLU 40 H GLU 40 -15.553 -20.994 0.157 327 HA GLU 40 HA GLU 40 -15.135 -20.646 3.054 328 HB2 GLU 40 2HB GLU 40 -16.625 -18.490 2.222 329 HB3 GLU 40 1HB GLU 40 -14.868 -18.511 2.366 330 HG2 GLU 40 2HG GLU 40 -15.616 -17.712 0.132 331 HG3 GLU 40 1HG GLU 40 -14.649 -19.182 0.027 332 HA PRO 41 HA PRO 41 -19.207 -21.985 4.013 333 HB2 PRO 41 2HB PRO 41 -19.886 -20.291 6.048 334 HB3 PRO 41 1HB PRO 41 -18.715 -21.609 6.229 335 HG2 PRO 41 2HG PRO 41 -18.240 -18.697 5.821 336 HG3 PRO 41 1HG PRO 41 -17.396 -19.841 6.877 337 HD2 PRO 41 2HD PRO 41 -16.376 -19.057 4.447 338 HD3 PRO 41 1HD PRO 41 -16.059 -20.657 5.149 339 H GLY 42 H GLY 42 -18.827 -19.699 1.993 340 HA2 GLY 42 2HA GLY 42 -20.435 -18.736 0.582 341 HA3 GLY 42 1HA GLY 42 -21.651 -18.990 1.830 342 H ALA 43 H ALA 43 -18.509 -17.307 1.872 343 HA ALA 43 HA ALA 43 -19.461 -15.172 3.481 344 HB1 ALA 43 1HB ALA 43 -17.299 -14.447 3.470 345 HB2 ALA 43 2HB ALA 43 -17.116 -14.686 1.732 346 HB3 ALA 43 3HB ALA 43 -16.997 -16.062 2.830 347 H VAL 44 H VAL 44 -20.280 -15.892 0.399 348 HA VAL 44 HA VAL 44 -20.066 -13.448 -0.992 349 HB VAL 44 HB VAL 44 -22.270 -15.500 -1.278 350 HG11 VAL 44 1HG1 VAL 44 -21.704 -13.049 -2.588 351 HG12 VAL 44 2HG1 VAL 44 -22.893 -14.265 -3.055 352 HG13 VAL 44 3HG1 VAL 44 -21.258 -14.334 -3.711 353 HG21 VAL 44 3HG2 VAL 44 -20.610 -16.951 -1.784 354 HG22 VAL 44 1HG2 VAL 44 -19.391 -15.677 -1.746 355 HG23 VAL 44 2HG2 VAL 44 -20.320 -15.965 -3.218 356 H SER 45 H SER 45 -22.102 -14.441 1.601 357 HA SER 45 HA SER 45 -24.300 -12.695 1.141 358 HB2 SER 45 2HB SER 45 -24.951 -13.205 3.395 359 HB3 SER 45 1HB SER 45 -24.285 -14.678 2.696 360 HG SER 45 HG SER 45 -22.275 -14.078 3.700 361 H TYR 46 H TYR 46 -21.090 -12.163 2.182 362 HA TYR 46 HA TYR 46 -19.973 -10.244 2.781 363 HB2 TYR 46 2HB TYR 46 -21.909 -9.338 1.130 364 HB3 TYR 46 1HB TYR 46 -22.371 -8.511 2.618 365 HD1 TYR 46 1HD TYR 46 -19.740 -8.914 0.067 366 HD2 TYR 46 2HD TYR 46 -20.905 -6.861 3.655 367 HE1 TYR 46 1HE TYR 46 -17.903 -7.282 -0.270 368 HE2 TYR 46 2HE TYR 46 -19.069 -5.228 3.317 369 HH TYR 46 HH TYR 46 -17.679 -4.370 1.538 Start of MODEL 14 1 H ALA 1 1HT ALA 1 -2.888 28.464 10.325 2 HA ALA 1 HA ALA 1 -3.703 26.805 8.632 3 HB1 ALA 1 2HB ALA 1 -0.856 26.589 8.271 4 HB2 ALA 1 3HB ALA 1 -1.238 28.177 8.938 5 HB3 ALA 1 1HB ALA 1 -1.994 27.648 7.437 6 H SER 2 H SER 2 -2.505 25.574 11.448 7 HA SER 2 HA SER 2 -1.214 23.189 10.672 8 HB2 SER 2 2HB SER 2 -1.717 22.404 12.928 9 HB3 SER 2 1HB SER 2 -1.199 24.087 12.981 10 HG SER 2 HG SER 2 -3.120 24.639 13.646 11 H LYS 3 H LYS 3 -4.631 23.862 11.419 12 HA LYS 3 HA LYS 3 -5.658 21.296 11.116 13 HB2 LYS 3 2HB LYS 3 -6.867 23.998 10.514 14 HB3 LYS 3 1HB LYS 3 -7.787 22.495 10.421 15 HG2 LYS 3 2HG LYS 3 -7.404 22.024 12.751 16 HG3 LYS 3 1HG LYS 3 -6.247 23.348 12.883 17 HD2 LYS 3 2HD LYS 3 -7.957 24.996 12.594 18 HD3 LYS 3 1HD LYS 3 -9.137 23.780 12.104 19 HE2 LYS 3 2HE LYS 3 -9.539 23.104 14.255 20 HE3 LYS 3 1HE LYS 3 -7.872 23.380 14.763 21 HZ1 LYS 3 3HZ LYS 3 -8.335 25.789 14.639 22 HZ2 LYS 3 1HZ LYS 3 -9.269 24.989 15.808 23 HZ3 LYS 3 2HZ LYS 3 -9.968 25.435 14.324 24 H GLU 4 H GLU 4 -4.871 23.717 8.671 25 HA GLU 4 HA GLU 4 -6.060 22.441 6.455 26 HB2 GLU 4 2HB GLU 4 -4.638 24.781 6.880 27 HB3 GLU 4 1HB GLU 4 -3.576 23.842 5.832 28 HG2 GLU 4 2HG GLU 4 -5.024 25.070 4.376 29 HG3 GLU 4 1HG GLU 4 -5.611 23.407 4.365 30 H LEU 5 H LEU 5 -2.685 22.364 7.617 31 HA LEU 5 HA LEU 5 -1.734 20.509 5.727 32 HB2 LEU 5 2HB LEU 5 -0.810 21.179 8.525 33 HB3 LEU 5 1HB LEU 5 0.065 20.083 7.456 34 HG LEU 5 HG LEU 5 -0.712 22.676 6.255 35 HD11 LEU 5 1HD1 LEU 5 1.328 22.445 8.483 36 HD12 LEU 5 2HD1 LEU 5 -0.076 23.512 8.427 37 HD13 LEU 5 3HD1 LEU 5 1.283 23.786 7.339 38 HD21 LEU 5 3HD2 LEU 5 1.999 21.351 6.367 39 HD22 LEU 5 1HD2 LEU 5 1.346 22.406 5.114 40 HD23 LEU 5 2HD2 LEU 5 0.735 20.762 5.287 41 H GLU 6 H GLU 6 -3.345 20.092 8.831 42 HA GLU 6 HA GLU 6 -2.869 17.357 9.226 43 HB2 GLU 6 2HB GLU 6 -3.871 18.843 10.928 44 HB3 GLU 6 1HB GLU 6 -5.342 18.938 9.962 45 HG2 GLU 6 2HG GLU 6 -5.571 16.465 10.117 46 HG3 GLU 6 1HG GLU 6 -4.149 16.422 11.160 47 H LEU 7 H LEU 7 -5.422 19.025 7.413 48 HA LEU 7 HA LEU 7 -6.920 16.727 6.731 49 HB2 LEU 7 2HB LEU 7 -6.666 19.488 5.574 50 HB3 LEU 7 1HB LEU 7 -7.616 18.258 4.740 51 HG LEU 7 HG LEU 7 -8.066 18.609 7.672 52 HD11 LEU 7 1HD1 LEU 7 -9.773 20.394 7.103 53 HD12 LEU 7 2HD1 LEU 7 -9.008 20.522 5.518 54 HD13 LEU 7 3HD1 LEU 7 -8.092 20.915 6.975 55 HD21 LEU 7 3HD2 LEU 7 -9.164 16.918 6.013 56 HD22 LEU 7 1HD2 LEU 7 -10.106 18.308 5.475 57 HD23 LEU 7 2HD2 LEU 7 -10.204 17.774 7.152 58 H ILE 8 H ILE 8 -4.394 18.492 4.939 59 HA ILE 8 HA ILE 8 -4.361 16.886 2.647 60 HB ILE 8 HB ILE 8 -2.012 18.298 3.930 61 HG12 ILE 8 2HG1 ILE 8 -3.893 19.832 3.631 62 HG13 ILE 8 1HG1 ILE 8 -2.668 20.165 2.406 63 HG21 ILE 8 1HG2 ILE 8 -2.257 16.662 1.603 64 HG22 ILE 8 2HG2 ILE 8 -0.852 17.582 2.140 65 HG23 ILE 8 3HG2 ILE 8 -2.037 18.328 1.068 66 HD11 ILE 8 3HD1 ILE 8 -4.602 20.108 1.106 67 HD12 ILE 8 1HD1 ILE 8 -5.350 18.854 2.094 68 HD13 ILE 8 2HD1 ILE 8 -4.052 18.437 0.976 69 H THR 9 H THR 9 -2.644 16.544 5.727 70 HA THR 9 HA THR 9 -0.985 14.388 5.036 71 HB THR 9 HB THR 9 -2.233 15.122 7.693 72 HG1 THR 9 1HG THR 9 -0.492 16.351 6.297 73 HG21 THR 9 3HG2 THR 9 -1.599 12.855 7.929 74 HG22 THR 9 1HG2 THR 9 -0.215 13.759 8.539 75 HG23 THR 9 2HG2 THR 9 -0.168 13.064 6.920 76 H LEU 10 H LEU 10 -4.273 14.428 6.390 77 HA LEU 10 HA LEU 10 -4.558 11.620 6.607 78 HB2 LEU 10 2HB LEU 10 -6.225 13.968 6.930 79 HB3 LEU 10 1HB LEU 10 -7.110 12.664 6.137 80 HG LEU 10 HG LEU 10 -6.433 11.109 7.929 81 HD11 LEU 10 1HD1 LEU 10 -5.531 12.693 9.995 82 HD12 LEU 10 2HD1 LEU 10 -4.701 13.391 8.604 83 HD13 LEU 10 3HD1 LEU 10 -4.504 11.680 8.982 84 HD21 LEU 10 3HD2 LEU 10 -7.507 12.706 9.858 85 HD22 LEU 10 1HD2 LEU 10 -8.464 11.905 8.612 86 HD23 LEU 10 2HD2 LEU 10 -7.982 13.590 8.409 87 H THR 11 H THR 11 -5.192 13.902 3.991 88 HA THR 11 HA THR 11 -6.617 12.181 2.279 89 HB THR 11 HB THR 11 -4.775 14.488 1.604 90 HG1 THR 11 1HG THR 11 -7.093 15.315 1.277 91 HG21 THR 11 3HG2 THR 11 -6.631 14.369 -0.382 92 HG22 THR 11 1HG2 THR 11 -6.419 12.653 -0.030 93 HG23 THR 11 2HG2 THR 11 -5.030 13.638 -0.493 94 H VAL 12 H VAL 12 -3.134 12.938 2.403 95 HA VAL 12 HA VAL 12 -2.362 11.175 0.337 96 HB VAL 12 HB VAL 12 -0.759 12.140 2.719 97 HG11 VAL 12 1HG1 VAL 12 0.458 10.352 1.766 98 HG12 VAL 12 2HG1 VAL 12 1.122 11.781 0.974 99 HG13 VAL 12 3HG1 VAL 12 -0.047 10.765 0.128 100 HG21 VAL 12 3HG2 VAL 12 -0.115 13.420 0.240 101 HG22 VAL 12 1HG2 VAL 12 -0.768 14.153 1.705 102 HG23 VAL 12 2HG2 VAL 12 -1.859 13.523 0.471 103 H GLY 13 H GLY 13 -2.560 10.757 3.856 104 HA2 GLY 13 2HA GLY 13 -1.473 8.176 4.026 105 HA3 GLY 13 1HA GLY 13 -2.622 8.866 5.167 106 H PHE 14 H PHE 14 -4.824 9.244 3.505 107 HA PHE 14 HA PHE 14 -5.994 6.667 3.522 108 HB2 PHE 14 2HB PHE 14 -7.278 8.776 3.758 109 HB3 PHE 14 1HB PHE 14 -6.941 9.147 2.068 110 HD1 PHE 14 2HD PHE 14 -8.375 6.452 4.240 111 HD2 PHE 14 1HD PHE 14 -8.380 8.360 0.393 112 HE1 PHE 14 2HE PHE 14 -10.297 5.049 3.547 113 HE2 PHE 14 1HE PHE 14 -10.302 6.957 -0.300 114 HZ PHE 14 HZ PHE 14 -11.260 5.300 1.276 115 H GLY 15 H GLY 15 -4.587 8.646 0.955 116 HA2 GLY 15 2HA GLY 15 -5.364 7.088 -1.254 117 HA3 GLY 15 1HA GLY 15 -3.950 8.135 -1.197 118 H ILE 16 H ILE 16 -2.476 6.919 0.815 119 HA ILE 16 HA ILE 16 -1.211 4.807 -0.592 120 HB ILE 16 HB ILE 16 -0.962 5.651 2.306 121 HG12 ILE 16 2HG1 ILE 16 0.965 6.223 0.059 122 HG13 ILE 16 1HG1 ILE 16 -0.421 7.278 0.341 123 HG21 ILE 16 1HG2 ILE 16 0.188 3.698 2.465 124 HG22 ILE 16 2HG2 ILE 16 1.430 4.533 1.532 125 HG23 ILE 16 3HG2 ILE 16 0.261 3.495 0.715 126 HD11 ILE 16 3HD1 ILE 16 1.810 7.866 1.528 127 HD12 ILE 16 1HD1 ILE 16 1.427 6.516 2.597 128 HD13 ILE 16 2HD1 ILE 16 0.330 7.892 2.489 129 H LEU 17 H LEU 17 -3.473 4.878 2.129 130 HA LEU 17 HA LEU 17 -3.395 2.183 2.858 131 HB2 LEU 17 2HB LEU 17 -4.640 4.118 3.990 132 HB3 LEU 17 1HB LEU 17 -5.929 3.817 2.824 133 HG LEU 17 HG LEU 17 -5.500 1.289 3.664 134 HD11 LEU 17 1HD1 LEU 17 -3.753 1.940 5.261 135 HD12 LEU 17 2HD1 LEU 17 -5.170 1.341 6.124 136 HD13 LEU 17 3HD1 LEU 17 -4.862 3.074 6.032 137 HD21 LEU 17 3HD2 LEU 17 -7.209 3.443 4.940 138 HD22 LEU 17 1HD2 LEU 17 -7.389 1.727 5.306 139 HD23 LEU 17 2HD2 LEU 17 -7.680 2.314 3.668 140 H ILE 18 H ILE 18 -5.184 3.808 0.281 141 HA ILE 18 HA ILE 18 -6.768 1.583 -0.488 142 HB ILE 18 HB ILE 18 -5.841 3.978 -2.091 143 HG12 ILE 18 2HG1 ILE 18 -8.561 3.489 -0.873 144 HG13 ILE 18 1HG1 ILE 18 -7.274 4.265 0.048 145 HG21 ILE 18 1HG2 ILE 18 -6.687 2.821 -3.843 146 HG22 ILE 18 2HG2 ILE 18 -8.265 3.075 -3.100 147 HG23 ILE 18 3HG2 ILE 18 -7.376 1.585 -2.791 148 HD11 ILE 18 3HD1 ILE 18 -7.546 5.389 -2.635 149 HD12 ILE 18 1HD1 ILE 18 -7.512 6.211 -1.076 150 HD13 ILE 18 2HD1 ILE 18 -9.025 5.547 -1.690 151 H PHE 19 H PHE 19 -3.750 2.911 -1.853 152 HA PHE 19 HA PHE 19 -3.363 0.960 -3.827 153 HB2 PHE 19 2HB PHE 19 -1.696 2.983 -2.466 154 HB3 PHE 19 1HB PHE 19 -0.813 1.625 -3.165 155 HD1 PHE 19 1HD PHE 19 -3.727 3.820 -4.078 156 HD2 PHE 19 2HD PHE 19 -0.113 1.887 -5.365 157 HE1 PHE 19 1HE PHE 19 -4.006 4.800 -6.339 158 HE2 PHE 19 2HE PHE 19 -0.393 2.869 -7.625 159 HZ PHE 19 HZ PHE 19 -2.339 4.325 -8.112 160 H SER 20 H SER 20 -2.380 1.039 -0.425 161 HA SER 20 HA SER 20 -0.784 -1.279 -0.427 162 HB2 SER 20 2HB SER 20 -2.487 -0.457 1.912 163 HB3 SER 20 1HB SER 20 -0.882 -1.181 1.919 164 HG SER 20 HG SER 20 -0.310 0.857 0.716 165 H LEU 21 H LEU 21 -4.262 -0.830 0.108 166 HA LEU 21 HA LEU 21 -4.887 -3.481 0.807 167 HB2 LEU 21 2HB LEU 21 -6.432 -1.549 1.061 168 HB3 LEU 21 1HB LEU 21 -6.631 -1.512 -0.690 169 HG LEU 21 HG LEU 21 -7.421 -3.887 -0.598 170 HD11 LEU 21 1HD1 LEU 21 -8.247 -4.345 1.931 171 HD12 LEU 21 2HD1 LEU 21 -6.776 -3.432 2.270 172 HD13 LEU 21 3HD1 LEU 21 -6.695 -4.915 1.319 173 HD21 LEU 21 3HD2 LEU 21 -9.474 -3.030 1.067 174 HD22 LEU 21 1HD2 LEU 21 -9.367 -2.729 -0.667 175 HD23 LEU 21 2HD2 LEU 21 -8.777 -1.521 0.474 176 H ILE 22 H ILE 22 -4.937 -1.858 -2.364 177 HA ILE 22 HA ILE 22 -5.807 -4.043 -3.889 178 HB ILE 22 HB ILE 22 -4.042 -1.696 -4.604 179 HG12 ILE 22 2HG1 ILE 22 -6.800 -2.098 -5.655 180 HG13 ILE 22 1HG1 ILE 22 -6.661 -1.696 -3.942 181 HG21 ILE 22 1HG2 ILE 22 -5.035 -4.019 -6.221 182 HG22 ILE 22 2HG2 ILE 22 -3.490 -3.174 -6.313 183 HG23 ILE 22 3HG2 ILE 22 -4.943 -2.429 -6.979 184 HD11 ILE 22 3HD1 ILE 22 -5.055 -0.111 -5.909 185 HD12 ILE 22 1HD1 ILE 22 -5.738 0.388 -4.362 186 HD13 ILE 22 2HD1 ILE 22 -6.781 0.221 -5.774 187 H VAL 23 H VAL 23 -2.608 -3.155 -2.723 188 HA VAL 23 HA VAL 23 -1.158 -5.052 -4.282 189 HB VAL 23 HB VAL 23 -0.431 -3.748 -1.647 190 HG11 VAL 23 1HG1 VAL 23 1.047 -5.456 -3.628 191 HG12 VAL 23 2HG1 VAL 23 1.109 -5.487 -1.865 192 HG13 VAL 23 3HG1 VAL 23 1.921 -4.197 -2.753 193 HG21 VAL 23 3HG2 VAL 23 0.854 -2.829 -4.119 194 HG22 VAL 23 1HG2 VAL 23 0.121 -1.888 -2.820 195 HG23 VAL 23 2HG2 VAL 23 -0.886 -2.551 -4.106 196 H THR 24 H THR 24 -2.231 -5.054 -0.880 197 HA THR 24 HA THR 24 -1.336 -7.653 -0.262 198 HB THR 24 HB THR 24 -3.669 -6.128 0.921 199 HG1 THR 24 1HG THR 24 -2.195 -5.246 2.237 200 HG21 THR 24 3HG2 THR 24 -2.874 -7.579 2.948 201 HG22 THR 24 1HG2 THR 24 -2.166 -8.610 1.704 202 HG23 THR 24 2HG2 THR 24 -3.905 -8.313 1.719 203 H TYR 25 H TYR 25 -4.234 -6.476 -1.835 204 HA TYR 25 HA TYR 25 -5.775 -8.853 -1.632 205 HB2 TYR 25 2HB TYR 25 -6.894 -6.811 -2.196 206 HB3 TYR 25 1HB TYR 25 -5.844 -6.552 -3.591 207 HD1 TYR 25 2HD TYR 25 -8.559 -8.663 -2.204 208 HD2 TYR 25 1HD TYR 25 -6.214 -7.703 -5.672 209 HE1 TYR 25 2HE TYR 25 -10.115 -9.977 -3.621 210 HE2 TYR 25 1HE TYR 25 -7.768 -9.017 -7.089 211 HH TYR 25 HH TYR 25 -10.392 -10.915 -5.663 212 H CYS 26 H CYS 26 -3.700 -7.571 -4.231 213 HA CYS 26 HA CYS 26 -4.014 -9.627 -6.080 214 HB2 CYS 26 2HB CYS 26 -1.610 -7.900 -5.464 215 HB3 CYS 26 1HB CYS 26 -1.702 -8.979 -6.854 216 HG CYS 26 HG CYS 26 -3.772 -7.577 -7.708 217 H ILE 27 H ILE 27 -1.777 -9.388 -3.337 218 HA ILE 27 HA ILE 27 -0.376 -11.797 -3.850 219 HB ILE 27 HB ILE 27 -0.805 -10.160 -1.350 220 HG12 ILE 27 2HG1 ILE 27 1.738 -10.706 -2.893 221 HG13 ILE 27 1HG1 ILE 27 0.647 -9.392 -3.338 222 HG21 ILE 27 1HG2 ILE 27 -0.463 -12.335 -0.476 223 HG22 ILE 27 2HG2 ILE 27 1.150 -11.625 -0.501 224 HG23 ILE 27 3HG2 ILE 27 0.669 -12.764 -1.758 225 HD11 ILE 27 3HD1 ILE 27 2.667 -9.198 -1.472 226 HD12 ILE 27 1HD1 ILE 27 1.251 -9.493 -0.463 227 HD13 ILE 27 2HD1 ILE 27 1.274 -8.120 -1.569 228 H ASN 28 H ASN 28 -3.070 -11.069 -1.629 229 HA ASN 28 HA ASN 28 -3.464 -13.542 -0.492 230 HB2 ASN 28 2HB ASN 28 -5.440 -11.431 -1.344 231 HB3 ASN 28 1HB ASN 28 -5.942 -12.890 -0.493 232 HD21 ASN 28 1HD2 ASN 28 -4.365 -13.316 1.552 233 HD22 ASN 28 2HD2 ASN 28 -4.097 -11.944 2.515 234 H ALA 29 H ALA 29 -4.488 -12.427 -3.687 235 HA ALA 29 HA ALA 29 -6.010 -14.751 -4.336 236 HB1 ALA 29 1HB ALA 29 -4.927 -13.509 -6.683 237 HB2 ALA 29 2HB ALA 29 -5.418 -12.255 -5.544 238 HB3 ALA 29 3HB ALA 29 -6.583 -13.468 -6.079 239 H LYS 30 H LYS 30 -2.726 -13.689 -5.236 240 HA LYS 30 HA LYS 30 -2.030 -15.964 -6.734 241 HB2 LYS 30 2HB LYS 30 -0.382 -13.955 -5.199 242 HB3 LYS 30 1HB LYS 30 0.352 -15.266 -6.127 243 HG2 LYS 30 2HG LYS 30 -0.896 -14.486 -8.144 244 HG3 LYS 30 1HG LYS 30 -1.503 -13.123 -7.203 245 HD2 LYS 30 2HD LYS 30 0.790 -12.346 -6.803 246 HD3 LYS 30 1HD LYS 30 1.427 -13.729 -7.694 247 HE2 LYS 30 2HE LYS 30 0.724 -12.907 -9.749 248 HE3 LYS 30 1HE LYS 30 -0.578 -11.955 -9.039 249 HZ1 LYS 30 3HZ LYS 30 2.299 -11.349 -9.176 250 HZ2 LYS 30 1HZ LYS 30 1.353 -10.670 -7.943 251 HZ3 LYS 30 2HZ LYS 30 0.974 -10.361 -9.571 252 H ALA 31 H ALA 31 -2.419 -15.529 -3.356 253 HA ALA 31 HA ALA 31 -0.728 -17.780 -2.618 254 HB1 ALA 31 1HB ALA 31 -0.924 -15.829 -1.118 255 HB2 ALA 31 2HB ALA 31 -1.479 -17.308 -0.335 256 HB3 ALA 31 3HB ALA 31 -2.651 -16.142 -0.948 257 H ASP 32 H ASP 32 -4.200 -16.991 -2.624 258 HA ASP 32 HA ASP 32 -5.095 -19.511 -1.703 259 HB2 ASP 32 2HB ASP 32 -6.410 -17.298 -3.273 260 HB3 ASP 32 1HB ASP 32 -7.270 -18.782 -2.861 261 H VAL 33 H VAL 33 -3.821 -18.504 -4.715 262 HA VAL 33 HA VAL 33 -5.158 -20.411 -6.384 263 HB VAL 33 HB VAL 33 -2.589 -18.858 -6.775 264 HG11 VAL 33 1HG1 VAL 33 -3.115 -19.427 -9.231 265 HG12 VAL 33 2HG1 VAL 33 -4.174 -20.683 -8.590 266 HG13 VAL 33 3HG1 VAL 33 -2.446 -20.723 -8.240 267 HG21 VAL 33 3HG2 VAL 33 -5.230 -17.994 -6.711 268 HG22 VAL 33 1HG2 VAL 33 -4.928 -18.245 -8.429 269 HG23 VAL 33 2HG2 VAL 33 -3.895 -17.156 -7.501 270 H LEU 34 H LEU 34 -2.770 -20.687 -4.022 271 HA LEU 34 HA LEU 34 -1.299 -22.869 -5.225 272 HB2 LEU 34 2HB LEU 34 -1.293 -21.537 -2.529 273 HB3 LEU 34 1HB LEU 34 -0.432 -23.054 -2.786 274 HG LEU 34 HG LEU 34 0.979 -20.993 -3.144 275 HD11 LEU 34 1HD1 LEU 34 0.938 -22.165 -5.831 276 HD12 LEU 34 2HD1 LEU 34 0.895 -23.377 -4.551 277 HD13 LEU 34 3HD1 LEU 34 2.209 -22.204 -4.609 278 HD21 LEU 34 3HD2 LEU 34 -0.613 -20.679 -5.695 279 HD22 LEU 34 1HD2 LEU 34 0.575 -19.570 -5.008 280 HD23 LEU 34 2HD2 LEU 34 -1.002 -19.761 -4.240 281 H PHE 35 H PHE 35 -4.344 -22.636 -4.004 282 HA PHE 35 HA PHE 35 -4.368 -25.494 -3.272 283 HB2 PHE 35 2HB PHE 35 -5.930 -23.324 -1.853 284 HB3 PHE 35 1HB PHE 35 -5.954 -25.048 -1.479 285 HD1 PHE 35 1HD PHE 35 -3.647 -26.156 -0.949 286 HD2 PHE 35 2HD PHE 35 -4.381 -21.926 -0.783 287 HE1 PHE 35 1HE PHE 35 -1.665 -25.870 0.515 288 HE2 PHE 35 2HE PHE 35 -2.398 -21.640 0.680 289 HZ PHE 35 HZ PHE 35 -1.041 -23.611 1.330 290 H ILE 36 H ILE 36 -7.176 -25.504 -2.727 291 HA ILE 36 HA ILE 36 -8.174 -25.275 -5.489 292 HB ILE 36 HB ILE 36 -9.283 -26.844 -3.149 293 HG12 ILE 36 2HG1 ILE 36 -8.460 -28.795 -4.550 294 HG13 ILE 36 1HG1 ILE 36 -7.583 -27.622 -5.535 295 HG21 ILE 36 1HG2 ILE 36 -11.143 -26.858 -4.437 296 HG22 ILE 36 2HG2 ILE 36 -10.234 -27.901 -5.530 297 HG23 ILE 36 3HG2 ILE 36 -10.289 -26.162 -5.813 298 HD11 ILE 36 3HD1 ILE 36 -6.014 -27.248 -3.924 299 HD12 ILE 36 1HD1 ILE 36 -6.536 -28.822 -3.322 300 HD13 ILE 36 2HD1 ILE 36 -7.194 -27.347 -2.614 301 H ALA 37 H ALA 37 -7.969 -23.025 -3.573 302 HA ALA 37 HA ALA 37 -10.182 -22.201 -2.264 303 HB1 ALA 37 1HB ALA 37 -8.928 -20.343 -2.291 304 HB2 ALA 37 2HB ALA 37 -9.582 -19.995 -3.891 305 HB3 ALA 37 3HB ALA 37 -8.066 -20.882 -3.733 306 HA PRO 38 HA PRO 38 -13.657 -22.152 -4.936 307 HB2 PRO 38 2HB PRO 38 -14.948 -19.870 -4.119 308 HB3 PRO 38 1HB PRO 38 -14.932 -21.381 -3.189 309 HG2 PRO 38 2HG PRO 38 -13.303 -18.915 -2.827 310 HG3 PRO 38 1HG PRO 38 -14.039 -19.972 -1.611 311 HD2 PRO 38 2HD PRO 38 -11.383 -20.084 -2.233 312 HD3 PRO 38 1HD PRO 38 -12.305 -21.505 -1.695 313 H ARG 39 H ARG 39 -14.932 -20.669 -6.481 314 HA ARG 39 HA ARG 39 -13.072 -19.451 -8.296 315 HB2 ARG 39 2HB ARG 39 -16.098 -19.548 -8.318 316 HB3 ARG 39 1HB ARG 39 -15.093 -18.979 -9.652 317 HG2 ARG 39 2HG ARG 39 -14.115 -21.138 -9.965 318 HG3 ARG 39 1HG ARG 39 -14.774 -21.731 -8.439 319 HD2 ARG 39 2HD ARG 39 -16.347 -20.975 -10.915 320 HD3 ARG 39 1HD ARG 39 -16.129 -22.596 -10.262 321 HE ARG 39 HE ARG 39 -18.010 -20.623 -9.346 322 HH11 ARG 39 1HH2 ARG 39 -16.002 -23.290 -8.436 323 HH12 ARG 39 2HH2 ARG 39 -16.985 -23.748 -7.086 324 HH21 ARG 39 1HH1 ARG 39 -19.304 -21.218 -7.576 325 HH22 ARG 39 2HH1 ARG 39 -18.855 -22.576 -6.599 326 H GLU 40 H GLU 40 -13.308 -17.252 -9.139 327 HA GLU 40 HA GLU 40 -12.996 -15.259 -7.291 328 HB2 GLU 40 2HB GLU 40 -13.759 -15.321 -10.157 329 HB3 GLU 40 1HB GLU 40 -14.071 -13.812 -9.295 330 HG2 GLU 40 2HG GLU 40 -11.795 -13.896 -10.333 331 HG3 GLU 40 1HG GLU 40 -11.751 -13.680 -8.585 332 HA PRO 41 HA PRO 41 -16.648 -14.065 -5.195 333 HB2 PRO 41 2HB PRO 41 -16.497 -11.473 -6.685 334 HB3 PRO 41 1HB PRO 41 -16.669 -11.766 -4.944 335 HG2 PRO 41 2HG PRO 41 -14.330 -11.059 -6.117 336 HG3 PRO 41 1HG PRO 41 -14.436 -12.017 -4.630 337 HD2 PRO 41 2HD PRO 41 -13.524 -12.873 -7.290 338 HD3 PRO 41 1HD PRO 41 -13.369 -13.699 -5.724 339 H GLY 42 H GLY 42 -16.410 -13.859 -8.644 340 HA2 GLY 42 2HA GLY 42 -17.951 -14.054 -10.342 341 HA3 GLY 42 1HA GLY 42 -18.913 -14.962 -9.179 342 H ALA 43 H ALA 43 -18.175 -11.838 -8.102 343 HA ALA 43 HA ALA 43 -19.348 -9.848 -8.036 344 HB1 ALA 43 1HB ALA 43 -20.652 -9.230 -9.819 345 HB2 ALA 43 2HB ALA 43 -21.456 -10.796 -9.913 346 HB3 ALA 43 3HB ALA 43 -19.825 -10.602 -10.557 347 H VAL 44 H VAL 44 -19.983 -12.450 -6.598 348 HA VAL 44 HA VAL 44 -22.796 -11.925 -5.886 349 HB VAL 44 HB VAL 44 -21.072 -14.307 -5.169 350 HG11 VAL 44 1HG1 VAL 44 -23.235 -15.334 -4.595 351 HG12 VAL 44 2HG1 VAL 44 -24.068 -13.841 -5.033 352 HG13 VAL 44 3HG1 VAL 44 -22.976 -13.868 -3.648 353 HG21 VAL 44 3HG2 VAL 44 -22.994 -15.183 -6.924 354 HG22 VAL 44 1HG2 VAL 44 -21.334 -14.799 -7.379 355 HG23 VAL 44 2HG2 VAL 44 -22.608 -13.597 -7.590 356 H SER 45 H SER 45 -23.114 -10.687 -4.161 357 HA SER 45 HA SER 45 -21.033 -10.056 -2.301 358 HB2 SER 45 2HB SER 45 -23.980 -9.437 -2.418 359 HB3 SER 45 1HB SER 45 -22.979 -8.946 -1.055 360 HG SER 45 HG SER 45 -23.268 -7.535 -3.084 361 H TYR 46 H TYR 46 -23.466 -12.496 -2.487 362 HA TYR 46 HA TYR 46 -22.441 -13.877 -0.213 363 HB2 TYR 46 2HB TYR 46 -24.728 -12.066 0.175 364 HB3 TYR 46 1HB TYR 46 -24.996 -13.709 0.755 365 HD1 TYR 46 1HD TYR 46 -22.853 -14.754 2.015 366 HD2 TYR 46 2HD TYR 46 -23.742 -10.567 1.656 367 HE1 TYR 46 1HE TYR 46 -21.445 -14.285 4.002 368 HE2 TYR 46 2HE TYR 46 -22.334 -10.097 3.643 369 HH TYR 46 HH TYR 46 -21.483 -12.216 5.832 Start of MODEL 15 1 H ALA 1 1HT ALA 1 -4.327 25.346 14.803 2 HA ALA 1 HA ALA 1 -5.220 26.297 12.155 3 HB1 ALA 1 2HB ALA 1 -3.464 27.338 13.941 4 HB2 ALA 1 3HB ALA 1 -3.294 27.534 12.196 5 HB3 ALA 1 1HB ALA 1 -2.384 26.279 13.036 6 H SER 2 H SER 2 -2.529 25.604 11.164 7 HA SER 2 HA SER 2 -1.698 23.931 9.804 8 HB2 SER 2 2HB SER 2 -1.917 22.806 12.558 9 HB3 SER 2 1HB SER 2 -1.489 21.707 11.251 10 HG SER 2 HG SER 2 -0.138 23.966 12.230 11 H LYS 3 H LYS 3 -4.723 24.236 10.042 12 HA LYS 3 HA LYS 3 -5.941 21.705 9.847 13 HB2 LYS 3 2HB LYS 3 -6.911 24.198 9.963 14 HB3 LYS 3 1HB LYS 3 -7.020 23.957 8.219 15 HG2 LYS 3 2HG LYS 3 -8.325 21.916 8.550 16 HG3 LYS 3 1HG LYS 3 -8.167 22.067 10.302 17 HD2 LYS 3 2HD LYS 3 -9.788 23.644 10.432 18 HD3 LYS 3 1HD LYS 3 -9.203 24.489 8.998 19 HE2 LYS 3 2HE LYS 3 -11.508 23.428 8.776 20 HE3 LYS 3 1HE LYS 3 -10.344 22.980 7.530 21 HZ1 LYS 3 3HZ LYS 3 -11.196 21.396 9.882 22 HZ2 LYS 3 1HZ LYS 3 -9.808 21.013 8.987 23 HZ3 LYS 3 2HZ LYS 3 -11.333 20.989 8.239 24 H GLU 4 H GLU 4 -4.606 23.856 7.353 25 HA GLU 4 HA GLU 4 -5.323 22.329 5.111 26 HB2 GLU 4 2HB GLU 4 -3.549 23.548 3.939 27 HB3 GLU 4 1HB GLU 4 -4.463 24.641 4.979 28 HG2 GLU 4 2HG GLU 4 -2.567 23.875 6.729 29 HG3 GLU 4 1HG GLU 4 -1.656 23.691 5.233 30 H LEU 5 H LEU 5 -2.482 22.167 7.222 31 HA LEU 5 HA LEU 5 -1.123 20.176 5.690 32 HB2 LEU 5 2HB LEU 5 -0.835 21.190 8.515 33 HB3 LEU 5 1HB LEU 5 0.163 19.878 7.887 34 HG LEU 5 HG LEU 5 -0.038 22.240 6.123 35 HD11 LEU 5 1HD1 LEU 5 1.760 23.397 7.539 36 HD12 LEU 5 2HD1 LEU 5 1.236 22.356 8.863 37 HD13 LEU 5 3HD1 LEU 5 0.106 23.501 8.141 38 HD21 LEU 5 3HD2 LEU 5 1.427 20.205 5.796 39 HD22 LEU 5 1HD2 LEU 5 2.352 20.723 7.204 40 HD23 LEU 5 2HD2 LEU 5 2.297 21.738 5.763 41 H GLU 6 H GLU 6 -3.290 20.099 8.489 42 HA GLU 6 HA GLU 6 -3.062 17.351 9.071 43 HB2 GLU 6 2HB GLU 6 -5.204 19.409 9.567 44 HB3 GLU 6 1HB GLU 6 -5.441 17.722 10.024 45 HG2 GLU 6 2HG GLU 6 -3.470 17.765 11.435 46 HG3 GLU 6 1HG GLU 6 -3.055 19.385 10.877 47 H LEU 7 H LEU 7 -5.263 19.129 6.927 48 HA LEU 7 HA LEU 7 -6.851 16.928 6.152 49 HB2 LEU 7 2HB LEU 7 -6.247 19.611 4.952 50 HB3 LEU 7 1HB LEU 7 -7.181 18.429 4.038 51 HG LEU 7 HG LEU 7 -7.977 18.851 6.877 52 HD11 LEU 7 1HD1 LEU 7 -9.274 20.852 6.354 53 HD12 LEU 7 2HD1 LEU 7 -8.671 20.844 4.698 54 HD13 LEU 7 3HD1 LEU 7 -7.569 21.166 6.037 55 HD21 LEU 7 3HD2 LEU 7 -9.014 17.343 4.963 56 HD22 LEU 7 1HD2 LEU 7 -9.799 18.852 4.494 57 HD23 LEU 7 2HD2 LEU 7 -10.063 18.181 6.104 58 H ILE 8 H ILE 8 -3.871 18.298 4.800 59 HA ILE 8 HA ILE 8 -3.743 16.658 2.510 60 HB ILE 8 HB ILE 8 -1.645 18.109 4.114 61 HG12 ILE 8 2HG1 ILE 8 -3.489 19.168 2.538 62 HG13 ILE 8 1HG1 ILE 8 -1.834 19.774 2.506 63 HG21 ILE 8 1HG2 ILE 8 -0.218 17.648 2.002 64 HG22 ILE 8 2HG2 ILE 8 -1.340 16.319 1.708 65 HG23 ILE 8 3HG2 ILE 8 -0.381 16.351 3.187 66 HD11 ILE 8 3HD1 ILE 8 -2.686 17.539 0.674 67 HD12 ILE 8 1HD1 ILE 8 -1.337 18.656 0.497 68 HD13 ILE 8 2HD1 ILE 8 -2.989 19.217 0.246 69 H THR 9 H THR 9 -2.175 16.324 5.681 70 HA THR 9 HA THR 9 -0.818 13.945 5.245 71 HB THR 9 HB THR 9 -2.195 14.812 7.803 72 HG1 THR 9 1HG THR 9 0.294 15.399 6.611 73 HG21 THR 9 3HG2 THR 9 -0.048 13.497 8.651 74 HG22 THR 9 1HG2 THR 9 -0.228 12.668 7.105 75 HG23 THR 9 2HG2 THR 9 -1.545 12.643 8.277 76 H LEU 10 H LEU 10 -4.204 14.462 6.138 77 HA LEU 10 HA LEU 10 -4.818 11.699 6.503 78 HB2 LEU 10 2HB LEU 10 -6.128 14.095 6.972 79 HB3 LEU 10 1HB LEU 10 -7.052 13.377 5.654 80 HG LEU 10 HG LEU 10 -7.152 11.236 6.967 81 HD11 LEU 10 1HD1 LEU 10 -5.301 12.693 8.629 82 HD12 LEU 10 2HD1 LEU 10 -5.804 11.010 8.753 83 HD13 LEU 10 3HD1 LEU 10 -6.727 12.268 9.573 84 HD21 LEU 10 3HD2 LEU 10 -8.311 13.794 8.085 85 HD22 LEU 10 1HD2 LEU 10 -8.745 12.212 8.733 86 HD23 LEU 10 2HD2 LEU 10 -9.097 12.602 7.049 87 H THR 11 H THR 11 -5.491 13.975 3.842 88 HA THR 11 HA THR 11 -6.774 12.286 2.088 89 HB THR 11 HB THR 11 -4.711 14.384 1.366 90 HG1 THR 11 1HG THR 11 -6.941 14.635 2.666 91 HG21 THR 11 3HG2 THR 11 -6.628 12.736 -0.186 92 HG22 THR 11 1HG2 THR 11 -5.121 13.496 -0.697 93 HG23 THR 11 2HG2 THR 11 -6.596 14.452 -0.582 94 H VAL 12 H VAL 12 -3.288 12.664 2.601 95 HA VAL 12 HA VAL 12 -2.496 10.860 0.544 96 HB VAL 12 HB VAL 12 -1.009 11.722 3.037 97 HG11 VAL 12 1HG1 VAL 12 0.465 10.146 2.359 98 HG12 VAL 12 2HG1 VAL 12 0.798 11.209 0.992 99 HG13 VAL 12 3HG1 VAL 12 -0.379 9.906 0.830 100 HG21 VAL 12 3HG2 VAL 12 -0.395 12.805 0.333 101 HG22 VAL 12 1HG2 VAL 12 -0.336 13.604 1.903 102 HG23 VAL 12 2HG2 VAL 12 -1.881 13.377 1.087 103 H GLY 13 H GLY 13 -2.551 10.484 4.099 104 HA2 GLY 13 2HA GLY 13 -1.846 7.812 4.256 105 HA3 GLY 13 1HA GLY 13 -2.901 8.621 5.410 106 H PHE 14 H PHE 14 -5.045 9.234 3.698 107 HA PHE 14 HA PHE 14 -6.591 6.905 3.835 108 HB2 PHE 14 2HB PHE 14 -7.529 9.192 3.726 109 HB3 PHE 14 1HB PHE 14 -7.020 9.305 2.041 110 HD1 PHE 14 1HD PHE 14 -8.916 6.989 4.309 111 HD2 PHE 14 2HD PHE 14 -8.558 8.707 0.388 112 HE1 PHE 14 1HE PHE 14 -10.991 5.825 3.609 113 HE2 PHE 14 2HE PHE 14 -10.632 7.544 -0.311 114 HZ PHE 14 HZ PHE 14 -11.849 6.103 1.298 115 H GLY 15 H GLY 15 -5.167 8.472 0.964 116 HA2 GLY 15 2HA GLY 15 -5.944 6.473 -0.879 117 HA3 GLY 15 1HA GLY 15 -4.662 7.655 -1.125 118 H ILE 16 H ILE 16 -3.134 6.832 1.206 119 HA ILE 16 HA ILE 16 -1.528 4.826 0.003 120 HB ILE 16 HB ILE 16 -1.557 6.023 2.773 121 HG12 ILE 16 2HG1 ILE 16 -0.841 7.230 0.519 122 HG13 ILE 16 1HG1 ILE 16 0.097 7.449 1.996 123 HG21 ILE 16 1HG2 ILE 16 0.794 4.949 2.853 124 HG22 ILE 16 2HG2 ILE 16 0.202 3.889 1.572 125 HG23 ILE 16 3HG2 ILE 16 -0.596 3.902 3.143 126 HD11 ILE 16 3HD1 ILE 16 0.752 5.234 0.054 127 HD12 ILE 16 1HD1 ILE 16 1.784 5.960 1.283 128 HD13 ILE 16 2HD1 ILE 16 1.378 6.862 -0.176 129 H LEU 17 H LEU 17 -3.725 4.770 2.805 130 HA LEU 17 HA LEU 17 -3.341 2.095 3.526 131 HB2 LEU 17 2HB LEU 17 -5.779 3.865 3.776 132 HB3 LEU 17 1HB LEU 17 -5.641 2.278 4.529 133 HG LEU 17 HG LEU 17 -3.435 4.255 4.979 134 HD11 LEU 17 1HD1 LEU 17 -5.539 5.524 5.388 135 HD12 LEU 17 2HD1 LEU 17 -4.639 5.237 6.872 136 HD13 LEU 17 3HD1 LEU 17 -6.059 4.262 6.503 137 HD21 LEU 17 3HD2 LEU 17 -3.356 3.096 7.154 138 HD22 LEU 17 1HD2 LEU 17 -3.289 1.932 5.833 139 HD23 LEU 17 2HD2 LEU 17 -4.791 2.170 6.718 140 H ILE 18 H ILE 18 -5.585 3.553 1.204 141 HA ILE 18 HA ILE 18 -7.019 1.218 0.556 142 HB ILE 18 HB ILE 18 -6.407 3.717 -1.019 143 HG12 ILE 18 2HG1 ILE 18 -9.103 2.835 -0.046 144 HG13 ILE 18 1HG1 ILE 18 -7.962 3.512 1.119 145 HG21 ILE 18 1HG2 ILE 18 -7.967 1.248 -1.758 146 HG22 ILE 18 2HG2 ILE 18 -6.823 2.165 -2.736 147 HG23 ILE 18 3HG2 ILE 18 -8.426 2.824 -2.406 148 HD11 ILE 18 3HD1 ILE 18 -9.618 5.080 -0.266 149 HD12 ILE 18 1HD1 ILE 18 -8.332 4.958 -1.467 150 HD13 ILE 18 2HD1 ILE 18 -7.982 5.600 0.136 151 H PHE 19 H PHE 19 -4.243 2.717 -1.104 152 HA PHE 19 HA PHE 19 -3.902 0.731 -3.059 153 HB2 PHE 19 2HB PHE 19 -2.691 3.108 -2.521 154 HB3 PHE 19 1HB PHE 19 -1.430 1.976 -2.031 155 HD1 PHE 19 2HD PHE 19 -3.680 2.933 -4.839 156 HD2 PHE 19 1HD PHE 19 -0.193 0.728 -3.642 157 HE1 PHE 19 2HE PHE 19 -3.117 2.529 -7.221 158 HE2 PHE 19 1HE PHE 19 0.370 0.326 -6.023 159 HZ PHE 19 HZ PHE 19 -1.091 1.227 -7.812 160 H SER 20 H SER 20 -2.404 1.070 0.153 161 HA SER 20 HA SER 20 -0.699 -1.126 0.078 162 HB2 SER 20 2HB SER 20 -0.467 0.282 1.943 163 HB3 SER 20 1HB SER 20 -2.189 0.226 2.315 164 HG SER 20 HG SER 20 -0.642 -2.126 2.325 165 H LEU 21 H LEU 21 -4.154 -0.975 0.815 166 HA LEU 21 HA LEU 21 -4.391 -3.713 1.595 167 HB2 LEU 21 2HB LEU 21 -6.019 -1.956 2.243 168 HB3 LEU 21 1HB LEU 21 -6.525 -1.830 0.562 169 HG LEU 21 HG LEU 21 -6.546 -4.598 1.330 170 HD11 LEU 21 1HD1 LEU 21 -6.791 -3.732 3.634 171 HD12 LEU 21 2HD1 LEU 21 -8.276 -4.509 3.082 172 HD13 LEU 21 3HD1 LEU 21 -8.160 -2.749 3.114 173 HD21 LEU 21 3HD2 LEU 21 -8.855 -4.448 0.584 174 HD22 LEU 21 1HD2 LEU 21 -7.865 -3.448 -0.478 175 HD23 LEU 21 2HD2 LEU 21 -8.846 -2.696 0.779 176 H ILE 22 H ILE 22 -5.110 -1.946 -1.405 177 HA ILE 22 HA ILE 22 -6.080 -4.121 -2.896 178 HB ILE 22 HB ILE 22 -4.680 -1.583 -3.734 179 HG12 ILE 22 2HG1 ILE 22 -7.109 -1.818 -2.673 180 HG13 ILE 22 1HG1 ILE 22 -6.803 -0.702 -4.000 181 HG21 ILE 22 1HG2 ILE 22 -5.701 -2.202 -6.024 182 HG22 ILE 22 2HG2 ILE 22 -5.782 -3.849 -5.395 183 HG23 ILE 22 3HG2 ILE 22 -4.224 -3.038 -5.539 184 HD11 ILE 22 3HD1 ILE 22 -8.841 -2.280 -4.205 185 HD12 ILE 22 1HD1 ILE 22 -7.660 -3.550 -4.520 186 HD13 ILE 22 2HD1 ILE 22 -7.767 -2.157 -5.595 187 H VAL 23 H VAL 23 -2.829 -3.160 -2.084 188 HA VAL 23 HA VAL 23 -1.525 -4.771 -4.065 189 HB VAL 23 HB VAL 23 -0.518 -3.500 -1.512 190 HG11 VAL 23 1HG1 VAL 23 1.710 -3.882 -2.930 191 HG12 VAL 23 2HG1 VAL 23 0.783 -5.242 -3.561 192 HG13 VAL 23 3HG1 VAL 23 1.098 -5.118 -1.831 193 HG21 VAL 23 3HG2 VAL 23 0.108 -1.692 -2.813 194 HG22 VAL 23 1HG2 VAL 23 -1.328 -2.201 -3.703 195 HG23 VAL 23 2HG2 VAL 23 0.275 -2.667 -4.273 196 H THR 24 H THR 24 -1.971 -5.080 -0.543 197 HA THR 24 HA THR 24 -0.823 -7.643 -0.314 198 HB THR 24 HB THR 24 -2.898 -6.244 1.388 199 HG1 THR 24 1HG THR 24 -0.226 -6.751 2.061 200 HG21 THR 24 3HG2 THR 24 -3.203 -8.445 2.051 201 HG22 THR 24 1HG2 THR 24 -1.854 -7.984 3.089 202 HG23 THR 24 2HG2 THR 24 -1.559 -8.912 1.618 203 H TYR 25 H TYR 25 -4.021 -6.536 -1.202 204 HA TYR 25 HA TYR 25 -5.356 -9.037 -0.929 205 HB2 TYR 25 2HB TYR 25 -6.605 -6.946 -1.060 206 HB3 TYR 25 1HB TYR 25 -5.995 -6.658 -2.690 207 HD1 TYR 25 2HD TYR 25 -7.852 -9.217 -0.674 208 HD2 TYR 25 1HD TYR 25 -7.196 -7.455 -4.538 209 HE1 TYR 25 2HE TYR 25 -9.703 -10.577 -1.610 210 HE2 TYR 25 1HE TYR 25 -9.047 -8.816 -5.472 211 HH TYR 25 HH TYR 25 -10.333 -10.709 -5.047 212 H CYS 26 H CYS 26 -3.760 -7.425 -3.661 213 HA CYS 26 HA CYS 26 -4.396 -9.336 -5.631 214 HB2 CYS 26 2HB CYS 26 -2.073 -7.420 -5.362 215 HB3 CYS 26 1HB CYS 26 -2.350 -8.410 -6.795 216 HG CYS 26 HG CYS 26 -4.548 -6.416 -5.805 217 H ILE 27 H ILE 27 -1.639 -9.074 -3.410 218 HA ILE 27 HA ILE 27 -0.150 -11.246 -4.411 219 HB ILE 27 HB ILE 27 -0.305 -10.055 -1.635 220 HG12 ILE 27 2HG1 ILE 27 1.927 -9.823 -3.654 221 HG13 ILE 27 1HG1 ILE 27 0.543 -8.730 -3.703 222 HG21 ILE 27 1HG2 ILE 27 1.445 -12.213 -2.812 223 HG22 ILE 27 2HG2 ILE 27 0.575 -12.223 -1.279 224 HG23 ILE 27 3HG2 ILE 27 2.006 -11.211 -1.475 225 HD11 ILE 27 3HD1 ILE 27 2.710 -8.139 -2.271 226 HD12 ILE 27 1HD1 ILE 27 1.902 -9.151 -1.074 227 HD13 ILE 27 2HD1 ILE 27 1.096 -7.713 -1.700 228 H ASN 28 H ASN 28 -2.630 -11.082 -1.870 229 HA ASN 28 HA ASN 28 -2.491 -13.787 -1.077 230 HB2 ASN 28 2HB ASN 28 -4.762 -11.793 -0.980 231 HB3 ASN 28 1HB ASN 28 -4.822 -13.385 -0.223 232 HD21 ASN 28 1HD2 ASN 28 -4.857 -10.741 1.154 233 HD22 ASN 28 2HD2 ASN 28 -3.503 -10.734 2.176 234 H ALA 29 H ALA 29 -4.467 -12.140 -3.521 235 HA ALA 29 HA ALA 29 -6.063 -14.334 -4.262 236 HB1 ALA 29 1HB ALA 29 -5.535 -11.670 -5.235 237 HB2 ALA 29 2HB ALA 29 -6.965 -12.674 -5.470 238 HB3 ALA 29 3HB ALA 29 -5.604 -12.804 -6.584 239 H LYS 30 H LYS 30 -2.920 -13.217 -5.475 240 HA LYS 30 HA LYS 30 -2.640 -15.053 -7.573 241 HB2 LYS 30 2HB LYS 30 -0.532 -13.753 -5.835 242 HB3 LYS 30 1HB LYS 30 -0.191 -14.632 -7.326 243 HG2 LYS 30 2HG LYS 30 -2.246 -12.460 -7.408 244 HG3 LYS 30 1HG LYS 30 -0.548 -11.994 -7.346 245 HD2 LYS 30 2HD LYS 30 -1.437 -14.093 -9.307 246 HD3 LYS 30 1HD LYS 30 -1.698 -12.392 -9.677 247 HE2 LYS 30 2HE LYS 30 1.010 -13.099 -8.681 248 HE3 LYS 30 1HE LYS 30 0.593 -13.703 -10.284 249 HZ1 LYS 30 3HZ LYS 30 1.047 -10.992 -9.398 250 HZ2 LYS 30 1HZ LYS 30 -0.319 -11.183 -10.386 251 HZ3 LYS 30 2HZ LYS 30 1.208 -11.674 -10.947 252 H ALA 31 H ALA 31 -1.775 -15.292 -4.160 253 HA ALA 31 HA ALA 31 -0.495 -17.813 -4.337 254 HB1 ALA 31 1HB ALA 31 -0.172 -16.306 -2.427 255 HB2 ALA 31 2HB ALA 31 -0.743 -17.887 -1.896 256 HB3 ALA 31 3HB ALA 31 -1.861 -16.524 -1.969 257 H ASP 32 H ASP 32 -3.793 -16.861 -3.470 258 HA ASP 32 HA ASP 32 -4.859 -19.316 -2.774 259 HB2 ASP 32 2HB ASP 32 -6.052 -16.906 -4.121 260 HB3 ASP 32 1HB ASP 32 -7.029 -18.328 -3.774 261 H VAL 33 H VAL 33 -4.434 -17.923 -5.990 262 HA VAL 33 HA VAL 33 -5.687 -20.103 -7.357 263 HB VAL 33 HB VAL 33 -3.808 -17.961 -8.382 264 HG11 VAL 33 1HG1 VAL 33 -3.842 -19.754 -9.968 265 HG12 VAL 33 2HG1 VAL 33 -4.965 -18.537 -10.576 266 HG13 VAL 33 3HG1 VAL 33 -5.579 -19.982 -9.772 267 HG21 VAL 33 3HG2 VAL 33 -5.606 -16.650 -7.880 268 HG22 VAL 33 1HG2 VAL 33 -6.689 -18.032 -7.717 269 HG23 VAL 33 2HG2 VAL 33 -6.322 -17.383 -9.314 270 H LEU 34 H LEU 34 -2.344 -19.155 -6.741 271 HA LEU 34 HA LEU 34 -0.958 -20.996 -8.218 272 HB2 LEU 34 2HB LEU 34 -0.416 -19.783 -5.542 273 HB3 LEU 34 1HB LEU 34 0.697 -20.966 -6.218 274 HG LEU 34 HG LEU 34 -0.209 -18.687 -7.942 275 HD11 LEU 34 1HD1 LEU 34 1.490 -18.494 -5.517 276 HD12 LEU 34 2HD1 LEU 34 0.567 -17.245 -6.348 277 HD13 LEU 34 3HD1 LEU 34 2.142 -17.737 -6.969 278 HD21 LEU 34 3HD2 LEU 34 1.346 -20.811 -8.454 279 HD22 LEU 34 1HD2 LEU 34 2.579 -19.743 -7.789 280 HD23 LEU 34 2HD2 LEU 34 1.646 -19.241 -9.198 281 H PHE 35 H PHE 35 -2.730 -21.464 -5.295 282 HA PHE 35 HA PHE 35 -2.192 -24.374 -5.499 283 HB2 PHE 35 2HB PHE 35 -2.389 -22.655 -3.026 284 HB3 PHE 35 1HB PHE 35 -2.588 -24.404 -2.986 285 HD1 PHE 35 2HD PHE 35 -0.702 -25.788 -4.215 286 HD2 PHE 35 1HD PHE 35 -0.244 -21.759 -2.793 287 HE1 PHE 35 2HE PHE 35 1.763 -26.067 -4.215 288 HE2 PHE 35 1HE PHE 35 2.217 -22.039 -2.793 289 HZ PHE 35 HZ PHE 35 3.222 -24.192 -3.503 290 H ILE 36 H ILE 36 -4.138 -24.148 -6.892 291 HA ILE 36 HA ILE 36 -6.544 -23.665 -7.003 292 HB ILE 36 HB ILE 36 -6.148 -26.423 -5.839 293 HG12 ILE 36 2HG1 ILE 36 -4.499 -26.172 -7.576 294 HG13 ILE 36 1HG1 ILE 36 -5.836 -27.092 -8.260 295 HG21 ILE 36 1HG2 ILE 36 -8.441 -25.088 -6.744 296 HG22 ILE 36 2HG2 ILE 36 -8.268 -26.825 -6.489 297 HG23 ILE 36 3HG2 ILE 36 -7.973 -26.134 -8.083 298 HD11 ILE 36 3HD1 ILE 36 -5.394 -25.493 -9.923 299 HD12 ILE 36 1HD1 ILE 36 -5.092 -24.213 -8.746 300 HD13 ILE 36 2HD1 ILE 36 -6.739 -24.777 -9.037 301 H ALA 37 H ALA 37 -6.462 -22.111 -5.137 302 HA ALA 37 HA ALA 37 -6.900 -22.539 -2.517 303 HB1 ALA 37 1HB ALA 37 -7.667 -20.492 -4.384 304 HB2 ALA 37 2HB ALA 37 -7.342 -20.352 -2.655 305 HB3 ALA 37 3HB ALA 37 -8.966 -20.742 -3.217 306 HA PRO 38 HA PRO 38 -10.473 -24.991 -1.833 307 HB2 PRO 38 2HB PRO 38 -11.690 -23.712 0.274 308 HB3 PRO 38 1HB PRO 38 -10.229 -24.705 0.434 309 HG2 PRO 38 2HG PRO 38 -10.496 -21.743 0.279 310 HG3 PRO 38 1HG PRO 38 -9.428 -22.731 1.295 311 HD2 PRO 38 2HD PRO 38 -8.538 -21.489 -0.958 312 HD3 PRO 38 1HD PRO 38 -7.870 -23.041 -0.405 313 H ARG 39 H ARG 39 -12.990 -24.676 -1.286 314 HA ARG 39 HA ARG 39 -14.062 -22.470 -2.927 315 HB2 ARG 39 2HB ARG 39 -15.596 -23.985 -4.039 316 HB3 ARG 39 1HB ARG 39 -13.948 -24.562 -4.284 317 HG2 ARG 39 2HG ARG 39 -14.556 -25.853 -1.979 318 HG3 ARG 39 1HG ARG 39 -16.157 -25.766 -2.714 319 HD2 ARG 39 2HD ARG 39 -13.652 -26.948 -3.936 320 HD3 ARG 39 1HD ARG 39 -15.112 -27.812 -3.462 321 HE ARG 39 HE ARG 39 -14.734 -26.238 -5.876 322 HH11 ARG 39 1HH2 ARG 39 -16.933 -27.676 -3.624 323 HH12 ARG 39 2HH2 ARG 39 -18.252 -27.746 -4.746 324 HH21 ARG 39 1HH1 ARG 39 -16.458 -26.325 -7.351 325 HH22 ARG 39 2HH1 ARG 39 -17.982 -26.981 -6.855 326 H GLU 40 H GLU 40 -15.882 -21.550 -2.147 327 HA GLU 40 HA GLU 40 -16.975 -22.673 0.352 328 HB2 GLU 40 2HB GLU 40 -17.822 -19.981 -0.048 329 HB3 GLU 40 1HB GLU 40 -16.753 -20.617 1.204 330 HG2 GLU 40 2HG GLU 40 -14.828 -20.412 -0.318 331 HG3 GLU 40 1HG GLU 40 -15.888 -19.794 -1.584 332 HA PRO 41 HA PRO 41 -21.082 -23.369 -1.021 333 HB2 PRO 41 2HB PRO 41 -21.977 -20.936 0.468 334 HB3 PRO 41 1HB PRO 41 -22.626 -22.585 0.513 335 HG2 PRO 41 2HG PRO 41 -21.065 -21.586 2.458 336 HG3 PRO 41 1HG PRO 41 -21.079 -23.300 2.019 337 HD2 PRO 41 2HD PRO 41 -18.963 -21.289 1.578 338 HD3 PRO 41 1HD PRO 41 -18.858 -23.063 1.566 339 H GLY 42 H GLY 42 -21.604 -22.961 -3.097 340 HA2 GLY 42 2HA GLY 42 -22.010 -21.847 -5.070 341 HA3 GLY 42 1HA GLY 42 -22.790 -20.645 -4.047 342 H ALA 43 H ALA 43 -19.371 -21.574 -4.115 343 HA ALA 43 HA ALA 43 -18.304 -19.038 -3.898 344 HB1 ALA 43 1HB ALA 43 -16.246 -19.991 -4.920 345 HB2 ALA 43 2HB ALA 43 -17.167 -21.426 -5.372 346 HB3 ALA 43 3HB ALA 43 -16.928 -21.030 -3.669 347 H VAL 44 H VAL 44 -18.499 -17.303 -5.149 348 HA VAL 44 HA VAL 44 -19.548 -17.397 -7.794 349 HB VAL 44 HB VAL 44 -18.070 -15.105 -6.483 350 HG11 VAL 44 1HG1 VAL 44 -19.249 -15.447 -9.040 351 HG12 VAL 44 2HG1 VAL 44 -18.651 -13.952 -8.324 352 HG13 VAL 44 3HG1 VAL 44 -20.339 -14.415 -8.118 353 HG21 VAL 44 3HG2 VAL 44 -19.741 -15.598 -4.913 354 HG22 VAL 44 1HG2 VAL 44 -20.864 -16.175 -6.146 355 HG23 VAL 44 2HG2 VAL 44 -20.554 -14.448 -5.973 356 H SER 45 H SER 45 -18.324 -18.517 -9.245 357 HA SER 45 HA SER 45 -15.790 -17.288 -10.029 358 HB2 SER 45 2HB SER 45 -15.988 -19.851 -8.662 359 HB3 SER 45 1HB SER 45 -15.225 -20.002 -10.241 360 HG SER 45 HG SER 45 -13.923 -18.142 -9.558 361 H TYR 46 H TYR 46 -18.746 -18.348 -10.839 362 HA TYR 46 HA TYR 46 -18.062 -18.525 -13.659 363 HB2 TYR 46 2HB TYR 46 -18.272 -20.900 -12.253 364 HB3 TYR 46 1HB TYR 46 -19.877 -20.701 -12.954 365 HD1 TYR 46 1HD TYR 46 -19.864 -19.838 -15.484 366 HD2 TYR 46 2HD TYR 46 -16.634 -21.923 -13.568 367 HE1 TYR 46 1HE TYR 46 -18.991 -20.525 -17.702 368 HE2 TYR 46 2HE TYR 46 -15.762 -22.611 -15.784 369 HH TYR 46 HH TYR 46 -17.585 -22.181 -18.690 Start of MODEL 16 1 H ALA 1 1HT ALA 1 -3.106 25.547 7.207 2 HA ALA 1 HA ALA 1 -1.066 26.826 8.703 3 HB1 ALA 1 2HB ALA 1 -2.993 28.225 9.454 4 HB2 ALA 1 3HB ALA 1 -2.327 27.234 10.752 5 HB3 ALA 1 1HB ALA 1 -3.827 26.754 9.956 6 H SER 2 H SER 2 -2.032 25.493 11.152 7 HA SER 2 HA SER 2 -0.945 22.941 10.757 8 HB2 SER 2 2HB SER 2 -2.768 23.987 12.932 9 HB3 SER 2 1HB SER 2 -1.972 22.417 12.989 10 HG SER 2 HG SER 2 -0.737 24.019 14.036 11 H LYS 3 H LYS 3 -4.356 23.924 11.106 12 HA LYS 3 HA LYS 3 -5.546 21.424 10.859 13 HB2 LYS 3 2HB LYS 3 -7.548 22.620 10.111 14 HB3 LYS 3 1HB LYS 3 -6.775 23.484 11.440 15 HG2 LYS 3 2HG LYS 3 -5.516 24.757 9.526 16 HG3 LYS 3 1HG LYS 3 -6.844 24.184 8.518 17 HD2 LYS 3 2HD LYS 3 -7.102 25.820 11.058 18 HD3 LYS 3 1HD LYS 3 -7.393 26.393 9.414 19 HE2 LYS 3 2HE LYS 3 -8.977 24.333 10.964 20 HE3 LYS 3 1HE LYS 3 -9.544 25.873 10.321 21 HZ1 LYS 3 3HZ LYS 3 -9.110 25.031 8.080 22 HZ2 LYS 3 1HZ LYS 3 -10.245 24.077 8.903 23 HZ3 LYS 3 2HZ LYS 3 -8.644 23.532 8.732 24 H GLU 4 H GLU 4 -4.724 23.742 8.281 25 HA GLU 4 HA GLU 4 -5.650 22.244 6.109 26 HB2 GLU 4 2HB GLU 4 -4.809 24.661 6.126 27 HB3 GLU 4 1HB GLU 4 -3.182 23.984 6.031 28 HG2 GLU 4 2HG GLU 4 -3.678 22.886 3.945 29 HG3 GLU 4 1HG GLU 4 -5.389 23.289 4.074 30 H LEU 5 H LEU 5 -2.382 22.369 7.530 31 HA LEU 5 HA LEU 5 -1.163 20.504 5.845 32 HB2 LEU 5 2HB LEU 5 -0.649 21.321 8.700 33 HB3 LEU 5 1HB LEU 5 0.337 20.094 7.905 34 HG LEU 5 HG LEU 5 -0.152 22.678 6.472 35 HD11 LEU 5 1HD1 LEU 5 1.846 23.642 7.609 36 HD12 LEU 5 2HD1 LEU 5 1.839 22.278 8.725 37 HD13 LEU 5 3HD1 LEU 5 0.491 23.415 8.712 38 HD21 LEU 5 3HD2 LEU 5 1.055 20.839 5.365 39 HD22 LEU 5 1HD2 LEU 5 2.202 20.772 6.701 40 HD23 LEU 5 2HD2 LEU 5 2.142 22.191 5.659 41 H GLU 6 H GLU 6 -3.008 20.031 8.828 42 HA GLU 6 HA GLU 6 -2.550 17.253 9.083 43 HB2 GLU 6 2HB GLU 6 -3.695 19.070 10.679 44 HB3 GLU 6 1HB GLU 6 -5.156 18.379 9.971 45 HG2 GLU 6 2HG GLU 6 -4.162 16.086 10.535 46 HG3 GLU 6 1HG GLU 6 -2.989 16.954 11.525 47 H LEU 7 H LEU 7 -5.265 19.056 7.641 48 HA LEU 7 HA LEU 7 -6.824 16.901 6.828 49 HB2 LEU 7 2HB LEU 7 -6.427 19.667 5.718 50 HB3 LEU 7 1HB LEU 7 -7.507 18.523 4.925 51 HG LEU 7 HG LEU 7 -7.818 18.765 7.866 52 HD11 LEU 7 1HD1 LEU 7 -9.133 20.831 7.687 53 HD12 LEU 7 2HD1 LEU 7 -8.751 20.942 5.969 54 HD13 LEU 7 3HD1 LEU 7 -7.474 21.126 7.172 55 HD21 LEU 7 3HD2 LEU 7 -10.067 18.286 7.361 56 HD22 LEU 7 1HD2 LEU 7 -9.189 17.399 6.115 57 HD23 LEU 7 2HD2 LEU 7 -9.938 18.947 5.731 58 H ILE 8 H ILE 8 -4.111 18.470 5.163 59 HA ILE 8 HA ILE 8 -4.252 17.028 2.761 60 HB ILE 8 HB ILE 8 -1.969 18.355 4.213 61 HG12 ILE 8 2HG1 ILE 8 -3.988 19.515 2.939 62 HG13 ILE 8 1HG1 ILE 8 -2.345 20.134 2.768 63 HG21 ILE 8 1HG2 ILE 8 -0.806 18.071 1.918 64 HG22 ILE 8 2HG2 ILE 8 -1.967 16.766 1.648 65 HG23 ILE 8 3HG2 ILE 8 -0.834 16.678 2.993 66 HD11 ILE 8 3HD1 ILE 8 -3.713 19.733 0.602 67 HD12 ILE 8 1HD1 ILE 8 -3.413 18.027 0.890 68 HD13 ILE 8 2HD1 ILE 8 -2.060 19.129 0.650 69 H THR 9 H THR 9 -2.427 16.372 5.734 70 HA THR 9 HA THR 9 -1.105 14.055 4.909 71 HB THR 9 HB THR 9 -2.190 14.620 7.678 72 HG1 THR 9 1HG THR 9 0.425 15.160 7.174 73 HG21 THR 9 3HG2 THR 9 -0.729 12.439 6.573 74 HG22 THR 9 1HG2 THR 9 -1.137 12.726 8.264 75 HG23 THR 9 2HG2 THR 9 0.373 13.351 7.601 76 H LEU 10 H LEU 10 -4.342 14.464 6.296 77 HA LEU 10 HA LEU 10 -4.979 11.747 6.577 78 HB2 LEU 10 2HB LEU 10 -6.402 14.296 6.621 79 HB3 LEU 10 1HB LEU 10 -7.382 12.999 5.939 80 HG LEU 10 HG LEU 10 -7.621 13.174 8.416 81 HD11 LEU 10 1HD1 LEU 10 -7.142 10.872 6.849 82 HD12 LEU 10 2HD1 LEU 10 -8.005 10.955 8.383 83 HD13 LEU 10 3HD1 LEU 10 -6.274 10.619 8.362 84 HD21 LEU 10 3HD2 LEU 10 -4.889 13.620 8.351 85 HD22 LEU 10 1HD2 LEU 10 -4.998 11.962 8.944 86 HD23 LEU 10 2HD2 LEU 10 -5.825 13.262 9.803 87 H THR 11 H THR 11 -5.479 13.964 3.855 88 HA THR 11 HA THR 11 -6.859 12.184 2.172 89 HB THR 11 HB THR 11 -5.006 14.475 1.477 90 HG1 THR 11 1HG THR 11 -6.907 14.941 2.717 91 HG21 THR 11 3HG2 THR 11 -6.461 12.527 -0.166 92 HG22 THR 11 1HG2 THR 11 -5.178 13.649 -0.623 93 HG23 THR 11 2HG2 THR 11 -6.851 14.201 -0.557 94 H VAL 12 H VAL 12 -3.378 12.881 2.447 95 HA VAL 12 HA VAL 12 -2.532 11.111 0.413 96 HB VAL 12 HB VAL 12 -1.075 12.087 2.882 97 HG11 VAL 12 1HG1 VAL 12 0.901 11.587 1.195 98 HG12 VAL 12 2HG1 VAL 12 -0.253 10.440 0.515 99 HG13 VAL 12 3HG1 VAL 12 0.244 10.297 2.201 100 HG21 VAL 12 3HG2 VAL 12 -0.137 13.227 0.449 101 HG22 VAL 12 1HG2 VAL 12 -0.970 14.044 1.770 102 HG23 VAL 12 2HG2 VAL 12 -1.895 13.358 0.436 103 H GLY 13 H GLY 13 -2.909 10.676 3.918 104 HA2 GLY 13 2HA GLY 13 -1.896 8.058 4.088 105 HA3 GLY 13 1HA GLY 13 -3.037 8.782 5.217 106 H PHE 14 H PHE 14 -5.183 9.256 3.480 107 HA PHE 14 HA PHE 14 -6.493 6.762 3.501 108 HB2 PHE 14 2HB PHE 14 -7.741 8.848 3.594 109 HB3 PHE 14 1HB PHE 14 -7.158 9.300 1.991 110 HD1 PHE 14 1HD PHE 14 -8.802 6.362 3.664 111 HD2 PHE 14 2HD PHE 14 -8.587 8.892 0.198 112 HE1 PHE 14 1HE PHE 14 -10.676 5.107 2.630 113 HE2 PHE 14 2HE PHE 14 -10.458 7.638 -0.833 114 HZ PHE 14 HZ PHE 14 -11.503 5.745 0.382 115 H GLY 15 H GLY 15 -5.057 8.627 0.832 116 HA2 GLY 15 2HA GLY 15 -5.743 6.866 -1.255 117 HA3 GLY 15 1HA GLY 15 -4.400 8.003 -1.283 118 H ILE 16 H ILE 16 -2.865 7.020 0.821 119 HA ILE 16 HA ILE 16 -1.410 4.966 -0.440 120 HB ILE 16 HB ILE 16 -1.375 6.005 2.400 121 HG12 ILE 16 2HG1 ILE 16 -0.616 7.319 0.218 122 HG13 ILE 16 1HG1 ILE 16 0.347 7.393 1.692 123 HG21 ILE 16 1HG2 ILE 16 0.272 3.876 1.035 124 HG22 ILE 16 2HG2 ILE 16 -0.482 3.829 2.626 125 HG23 ILE 16 3HG2 ILE 16 0.941 4.831 2.362 126 HD11 ILE 16 3HD1 ILE 16 0.852 5.268 -0.393 127 HD12 ILE 16 1HD1 ILE 16 1.934 5.841 0.875 128 HD13 ILE 16 2HD1 ILE 16 1.585 6.860 -0.519 129 H LEU 17 H LEU 17 -3.645 4.893 2.322 130 HA LEU 17 HA LEU 17 -3.415 2.186 2.974 131 HB2 LEU 17 2HB LEU 17 -5.572 4.239 3.281 132 HB3 LEU 17 1HB LEU 17 -5.940 2.551 3.642 133 HG LEU 17 HG LEU 17 -3.410 3.657 4.770 134 HD11 LEU 17 1HD1 LEU 17 -4.983 4.336 6.787 135 HD12 LEU 17 2HD1 LEU 17 -6.171 4.565 5.507 136 HD13 LEU 17 3HD1 LEU 17 -4.661 5.477 5.483 137 HD21 LEU 17 3HD2 LEU 17 -4.166 1.293 5.080 138 HD22 LEU 17 1HD2 LEU 17 -5.605 1.894 5.903 139 HD23 LEU 17 2HD2 LEU 17 -4.011 2.162 6.608 140 H ILE 18 H ILE 18 -5.392 3.790 0.521 141 HA ILE 18 HA ILE 18 -6.934 1.548 -0.245 142 HB ILE 18 HB ILE 18 -6.059 3.992 -1.793 143 HG12 ILE 18 2HG1 ILE 18 -8.808 3.322 -0.731 144 HG13 ILE 18 1HG1 ILE 18 -7.606 4.109 0.293 145 HG21 ILE 18 1HG2 ILE 18 -6.702 2.740 -3.591 146 HG22 ILE 18 2HG2 ILE 18 -8.330 3.098 -3.017 147 HG23 ILE 18 3HG2 ILE 18 -7.562 1.569 -2.592 148 HD11 ILE 18 3HD1 ILE 18 -7.888 6.095 -0.743 149 HD12 ILE 18 1HD1 ILE 18 -9.326 5.392 -1.482 150 HD13 ILE 18 2HD1 ILE 18 -7.791 5.359 -2.342 151 H PHE 19 H PHE 19 -3.976 2.914 -1.706 152 HA PHE 19 HA PHE 19 -3.619 0.883 -3.634 153 HB2 PHE 19 2HB PHE 19 -2.317 3.242 -2.934 154 HB3 PHE 19 1HB PHE 19 -1.114 1.986 -2.644 155 HD1 PHE 19 2HD PHE 19 -0.367 0.503 -4.466 156 HD2 PHE 19 1HD PHE 19 -3.163 3.687 -5.166 157 HE1 PHE 19 2HE PHE 19 0.016 0.302 -6.908 158 HE2 PHE 19 1HE PHE 19 -2.781 3.487 -7.608 159 HZ PHE 19 HZ PHE 19 -1.191 1.795 -8.478 160 H SER 20 H SER 20 -2.528 1.179 -0.287 161 HA SER 20 HA SER 20 -0.752 -0.985 -0.206 162 HB2 SER 20 2HB SER 20 -1.086 0.728 1.603 163 HB3 SER 20 1HB SER 20 -2.581 -0.099 2.034 164 HG SER 20 HG SER 20 -1.236 -1.212 3.238 165 H LEU 21 H LEU 21 -4.260 -0.864 0.361 166 HA LEU 21 HA LEU 21 -4.560 -3.591 1.039 167 HB2 LEU 21 2HB LEU 21 -6.267 -1.827 1.484 168 HB3 LEU 21 1HB LEU 21 -6.595 -1.750 -0.243 169 HG LEU 21 HG LEU 21 -7.175 -4.179 -0.214 170 HD11 LEU 21 1HD1 LEU 21 -7.706 -4.860 2.339 171 HD12 LEU 21 2HD1 LEU 21 -6.307 -3.826 2.613 172 HD13 LEU 21 3HD1 LEU 21 -6.168 -5.233 1.561 173 HD21 LEU 21 3HD2 LEU 21 -9.286 -3.475 0.100 174 HD22 LEU 21 1HD2 LEU 21 -8.662 -1.993 0.822 175 HD23 LEU 21 2HD2 LEU 21 -9.020 -3.386 1.841 176 H ILE 22 H ILE 22 -5.077 -1.872 -2.038 177 HA ILE 22 HA ILE 22 -5.855 -4.012 -3.624 178 HB ILE 22 HB ILE 22 -4.184 -1.586 -4.311 179 HG12 ILE 22 2HG1 ILE 22 -7.078 -2.224 -4.944 180 HG13 ILE 22 1HG1 ILE 22 -6.591 -1.347 -3.494 181 HG21 ILE 22 1HG2 ILE 22 -5.299 -2.332 -6.659 182 HG22 ILE 22 2HG2 ILE 22 -5.052 -3.921 -5.935 183 HG23 ILE 22 3HG2 ILE 22 -3.682 -2.836 -6.166 184 HD11 ILE 22 3HD1 ILE 22 -5.395 -0.343 -6.000 185 HD12 ILE 22 1HD1 ILE 22 -6.102 0.549 -4.654 186 HD13 ILE 22 2HD1 ILE 22 -7.144 -0.152 -5.891 187 H VAL 23 H VAL 23 -2.642 -3.092 -2.541 188 HA VAL 23 HA VAL 23 -1.190 -4.854 -4.244 189 HB VAL 23 HB VAL 23 -0.481 -3.536 -1.617 190 HG11 VAL 23 1HG1 VAL 23 0.924 -5.563 -3.257 191 HG12 VAL 23 2HG1 VAL 23 1.127 -5.153 -1.553 192 HG13 VAL 23 3HG1 VAL 23 1.893 -4.163 -2.796 193 HG21 VAL 23 3HG2 VAL 23 -0.717 -2.563 -4.248 194 HG22 VAL 23 1HG2 VAL 23 1.014 -2.777 -3.988 195 HG23 VAL 23 2HG2 VAL 23 0.078 -1.759 -2.893 196 H THR 24 H THR 24 -2.154 -5.071 -0.817 197 HA THR 24 HA THR 24 -1.180 -7.681 -0.374 198 HB THR 24 HB THR 24 -3.390 -6.113 0.963 199 HG1 THR 24 1HG THR 24 -0.686 -6.253 1.128 200 HG21 THR 24 3HG2 THR 24 -2.684 -7.964 2.793 201 HG22 THR 24 1HG2 THR 24 -2.457 -8.909 1.322 202 HG23 THR 24 2HG2 THR 24 -4.030 -8.192 1.674 203 H TYR 25 H TYR 25 -4.113 -6.471 -1.832 204 HA TYR 25 HA TYR 25 -5.649 -8.861 -1.681 205 HB2 TYR 25 2HB TYR 25 -6.734 -6.760 -2.179 206 HB3 TYR 25 1HB TYR 25 -5.749 -6.544 -3.624 207 HD1 TYR 25 2HD TYR 25 -8.185 -8.919 -2.060 208 HD2 TYR 25 1HD TYR 25 -6.498 -7.366 -5.692 209 HE1 TYR 25 2HE TYR 25 -9.836 -10.216 -3.379 210 HE2 TYR 25 1HE TYR 25 -8.148 -8.663 -7.011 211 HH TYR 25 HH TYR 25 -9.536 -10.879 -6.553 212 H CYS 26 H CYS 26 -3.504 -7.545 -4.194 213 HA CYS 26 HA CYS 26 -3.903 -9.548 -6.119 214 HB2 CYS 26 2HB CYS 26 -1.489 -7.821 -5.539 215 HB3 CYS 26 1HB CYS 26 -1.641 -8.852 -6.962 216 HG CYS 26 HG CYS 26 -3.695 -7.418 -7.725 217 H ILE 27 H ILE 27 -1.656 -9.354 -3.388 218 HA ILE 27 HA ILE 27 -0.239 -11.747 -4.011 219 HB ILE 27 HB ILE 27 -0.629 -10.359 -1.342 220 HG12 ILE 27 2HG1 ILE 27 0.366 -8.894 -3.059 221 HG13 ILE 27 1HG1 ILE 27 1.572 -9.340 -1.852 222 HG21 ILE 27 1HG2 ILE 27 1.849 -11.604 -1.378 223 HG22 ILE 27 2HG2 ILE 27 0.804 -12.777 -2.177 224 HG23 ILE 27 3HG2 ILE 27 0.414 -12.212 -0.553 225 HD11 ILE 27 3HD1 ILE 27 2.787 -9.805 -3.754 226 HD12 ILE 27 1HD1 ILE 27 1.352 -10.170 -4.708 227 HD13 ILE 27 2HD1 ILE 27 1.991 -11.353 -3.579 228 H ASN 28 H ASN 28 -2.903 -11.065 -1.760 229 HA ASN 28 HA ASN 28 -3.230 -13.556 -0.622 230 HB2 ASN 28 2HB ASN 28 -5.206 -11.420 -1.386 231 HB3 ASN 28 1HB ASN 28 -5.740 -12.921 -0.631 232 HD21 ASN 28 1HD2 ASN 28 -6.245 -10.785 0.931 233 HD22 ASN 28 2HD2 ASN 28 -5.106 -10.622 2.180 234 H ALA 29 H ALA 29 -4.359 -12.419 -3.776 235 HA ALA 29 HA ALA 29 -5.880 -14.721 -4.436 236 HB1 ALA 29 1HB ALA 29 -4.487 -13.074 -6.519 237 HB2 ALA 29 2HB ALA 29 -5.782 -12.359 -5.561 238 HB3 ALA 29 3HB ALA 29 -6.102 -13.782 -6.553 239 H LYS 30 H LYS 30 -2.575 -13.743 -5.356 240 HA LYS 30 HA LYS 30 -1.908 -16.024 -6.827 241 HB2 LYS 30 2HB LYS 30 -0.222 -14.114 -5.210 242 HB3 LYS 30 1HB LYS 30 0.479 -15.417 -6.170 243 HG2 LYS 30 2HG LYS 30 -1.520 -13.614 -7.475 244 HG3 LYS 30 1HG LYS 30 0.116 -13.004 -7.219 245 HD2 LYS 30 2HD LYS 30 1.074 -14.571 -8.640 246 HD3 LYS 30 1HD LYS 30 -0.228 -15.735 -8.405 247 HE2 LYS 30 2HE LYS 30 -1.593 -14.741 -9.973 248 HE3 LYS 30 1HE LYS 30 -0.931 -13.132 -9.684 249 HZ1 LYS 30 3HZ LYS 30 -0.025 -15.209 -11.487 250 HZ2 LYS 30 1HZ LYS 30 1.206 -14.409 -10.638 251 HZ3 LYS 30 2HZ LYS 30 0.127 -13.521 -11.604 252 H ALA 31 H ALA 31 -2.289 -15.587 -3.434 253 HA ALA 31 HA ALA 31 -0.730 -17.929 -2.709 254 HB1 ALA 31 1HB ALA 31 -1.506 -15.653 -1.351 255 HB2 ALA 31 2HB ALA 31 -0.826 -17.103 -0.613 256 HB3 ALA 31 3HB ALA 31 -2.575 -16.890 -0.691 257 H ASP 32 H ASP 32 -4.147 -16.993 -2.862 258 HA ASP 32 HA ASP 32 -5.206 -19.424 -1.888 259 HB2 ASP 32 2HB ASP 32 -6.386 -17.303 -3.693 260 HB3 ASP 32 1HB ASP 32 -7.308 -18.664 -3.053 261 H VAL 33 H VAL 33 -3.743 -18.600 -4.871 262 HA VAL 33 HA VAL 33 -5.093 -20.515 -6.524 263 HB VAL 33 HB VAL 33 -2.437 -19.099 -6.848 264 HG11 VAL 33 1HG1 VAL 33 -2.227 -20.945 -8.272 265 HG12 VAL 33 2HG1 VAL 33 -2.980 -19.754 -9.328 266 HG13 VAL 33 3HG1 VAL 33 -3.961 -21.019 -8.591 267 HG21 VAL 33 3HG2 VAL 33 -3.603 -17.417 -7.871 268 HG22 VAL 33 1HG2 VAL 33 -4.935 -18.020 -6.884 269 HG23 VAL 33 2HG2 VAL 33 -4.786 -18.525 -8.568 270 H LEU 34 H LEU 34 -3.061 -20.926 -3.950 271 HA LEU 34 HA LEU 34 -1.695 -23.279 -5.051 272 HB2 LEU 34 2HB LEU 34 -1.357 -21.626 -2.568 273 HB3 LEU 34 1HB LEU 34 -0.683 -23.250 -2.653 274 HG LEU 34 HG LEU 34 0.542 -22.642 -4.704 275 HD11 LEU 34 1HD1 LEU 34 0.599 -20.105 -5.198 276 HD12 LEU 34 2HD1 LEU 34 -0.898 -20.024 -4.271 277 HD13 LEU 34 3HD1 LEU 34 -0.817 -21.002 -5.735 278 HD21 LEU 34 3HD2 LEU 34 0.903 -20.773 -2.343 279 HD22 LEU 34 1HD2 LEU 34 2.076 -20.934 -3.651 280 HD23 LEU 34 2HD2 LEU 34 1.717 -22.314 -2.612 281 H PHE 35 H PHE 35 -4.641 -22.670 -3.799 282 HA PHE 35 HA PHE 35 -4.799 -25.317 -2.518 283 HB2 PHE 35 2HB PHE 35 -6.252 -22.787 -1.725 284 HB3 PHE 35 1HB PHE 35 -6.559 -24.382 -1.044 285 HD1 PHE 35 1HD PHE 35 -4.415 -25.665 -0.163 286 HD2 PHE 35 2HD PHE 35 -4.695 -21.407 -0.663 287 HE1 PHE 35 1HE PHE 35 -2.548 -25.354 1.438 288 HE2 PHE 35 2HE PHE 35 -2.827 -21.097 0.937 289 HZ PHE 35 HZ PHE 35 -1.753 -23.071 1.988 290 H ILE 36 H ILE 36 -7.604 -25.195 -2.178 291 HA ILE 36 HA ILE 36 -8.439 -25.617 -4.955 292 HB ILE 36 HB ILE 36 -9.761 -26.517 -2.382 293 HG12 ILE 36 2HG1 ILE 36 -8.917 -28.776 -3.189 294 HG13 ILE 36 1HG1 ILE 36 -7.936 -27.909 -4.369 295 HG21 ILE 36 1HG2 ILE 36 -11.526 -26.791 -3.759 296 HG22 ILE 36 2HG2 ILE 36 -10.611 -28.131 -4.451 297 HG23 ILE 36 3HG2 ILE 36 -10.552 -26.540 -5.205 298 HD11 ILE 36 3HD1 ILE 36 -6.455 -27.189 -2.794 299 HD12 ILE 36 1HD1 ILE 36 -7.085 -28.537 -1.850 300 HD13 ILE 36 2HD1 ILE 36 -7.708 -26.915 -1.588 301 H ALA 37 H ALA 37 -8.266 -22.965 -3.651 302 HA ALA 37 HA ALA 37 -10.710 -21.940 -2.840 303 HB1 ALA 37 1HB ALA 37 -8.211 -20.873 -3.862 304 HB2 ALA 37 2HB ALA 37 -9.320 -20.183 -2.677 305 HB3 ALA 37 3HB ALA 37 -9.586 -19.916 -4.402 306 HA PRO 38 HA PRO 38 -13.344 -21.912 -6.361 307 HB2 PRO 38 2HB PRO 38 -14.590 -19.481 -6.133 308 HB3 PRO 38 1HB PRO 38 -14.949 -20.868 -5.089 309 HG2 PRO 38 2HG PRO 38 -13.273 -18.473 -4.546 310 HG3 PRO 38 1HG PRO 38 -14.367 -19.357 -3.468 311 HD2 PRO 38 2HD PRO 38 -11.651 -19.650 -3.399 312 HD3 PRO 38 1HD PRO 38 -12.784 -20.935 -2.929 313 H ARG 39 H ARG 39 -14.180 -20.104 -8.119 314 HA ARG 39 HA ARG 39 -11.786 -18.712 -9.147 315 HB2 ARG 39 2HB ARG 39 -12.177 -19.518 -11.359 316 HB3 ARG 39 1HB ARG 39 -12.219 -20.929 -10.301 317 HG2 ARG 39 2HG ARG 39 -14.807 -20.335 -10.184 318 HG3 ARG 39 1HG ARG 39 -14.465 -19.568 -11.736 319 HD2 ARG 39 2HD ARG 39 -13.385 -21.731 -12.465 320 HD3 ARG 39 1HD ARG 39 -13.990 -22.462 -10.981 321 HE ARG 39 HE ARG 39 -16.087 -21.171 -12.438 322 HH11 ARG 39 1HH2 ARG 39 -14.061 -23.974 -12.303 323 HH12 ARG 39 2HH2 ARG 39 -15.200 -25.007 -13.100 324 HH21 ARG 39 1HH1 ARG 39 -17.587 -22.520 -13.484 325 HH22 ARG 39 2HH1 ARG 39 -17.196 -24.182 -13.768 326 H GLU 40 H GLU 40 -12.148 -16.743 -10.055 327 HA GLU 40 HA GLU 40 -14.943 -15.804 -10.085 328 HB2 GLU 40 2HB GLU 40 -13.241 -13.568 -10.017 329 HB3 GLU 40 1HB GLU 40 -14.249 -14.183 -8.704 330 HG2 GLU 40 2HG GLU 40 -11.478 -15.247 -9.308 331 HG3 GLU 40 1HG GLU 40 -11.782 -13.959 -8.153 332 HA PRO 41 HA PRO 41 -15.051 -14.666 -14.311 333 HB2 PRO 41 2HB PRO 41 -14.892 -11.795 -13.507 334 HB3 PRO 41 1HB PRO 41 -16.051 -12.599 -14.583 335 HG2 PRO 41 2HG PRO 41 -16.634 -11.912 -12.037 336 HG3 PRO 41 1HG PRO 41 -17.372 -13.287 -12.869 337 HD2 PRO 41 2HD PRO 41 -15.457 -13.296 -10.641 338 HD3 PRO 41 1HD PRO 41 -16.484 -14.611 -11.252 339 H GLY 42 H GLY 42 -12.617 -13.319 -12.250 340 HA2 GLY 42 2HA GLY 42 -10.281 -13.587 -12.921 341 HA3 GLY 42 1HA GLY 42 -10.767 -13.151 -14.556 342 H ALA 43 H ALA 43 -12.258 -11.397 -12.009 343 HA ALA 43 HA ALA 43 -12.130 -9.198 -11.358 344 HB1 ALA 43 1HB ALA 43 -10.120 -8.587 -10.491 345 HB2 ALA 43 2HB ALA 43 -9.255 -8.938 -11.986 346 HB3 ALA 43 3HB ALA 43 -9.672 -10.247 -10.882 347 H VAL 44 H VAL 44 -13.200 -7.966 -12.797 348 HA VAL 44 HA VAL 44 -12.032 -7.406 -15.417 349 HB VAL 44 HB VAL 44 -14.676 -6.566 -14.200 350 HG11 VAL 44 1HG1 VAL 44 -14.142 -4.983 -15.893 351 HG12 VAL 44 2HG1 VAL 44 -15.186 -6.163 -16.687 352 HG13 VAL 44 3HG1 VAL 44 -13.442 -6.220 -16.937 353 HG21 VAL 44 3HG2 VAL 44 -14.806 -8.365 -16.457 354 HG22 VAL 44 1HG2 VAL 44 -15.449 -8.588 -14.829 355 HG23 VAL 44 2HG2 VAL 44 -13.790 -9.063 -15.195 356 H SER 45 H SER 45 -13.382 -5.490 -12.717 357 HA SER 45 HA SER 45 -11.274 -3.495 -13.130 358 HB2 SER 45 2HB SER 45 -14.134 -3.106 -13.727 359 HB3 SER 45 1HB SER 45 -13.413 -1.854 -12.718 360 HG SER 45 HG SER 45 -13.080 -2.366 -15.358 361 H TYR 46 H TYR 46 -13.757 -4.962 -11.182 362 HA TYR 46 HA TYR 46 -12.912 -3.397 -8.830 363 HB2 TYR 46 2HB TYR 46 -15.415 -3.926 -9.622 364 HB3 TYR 46 1HB TYR 46 -15.129 -5.372 -8.655 365 HD1 TYR 46 1HD TYR 46 -15.086 -1.653 -8.578 366 HD2 TYR 46 2HD TYR 46 -15.040 -5.278 -6.274 367 HE1 TYR 46 1HE TYR 46 -15.438 -0.340 -6.504 368 HE2 TYR 46 2HE TYR 46 -15.392 -3.963 -4.201 369 HH TYR 46 HH TYR 46 -15.539 -1.931 -3.316 Start of MODEL 17 1 H ALA 1 1HT ALA 1 -3.704 26.972 11.171 2 HA ALA 1 HA ALA 1 -3.272 26.321 9.050 3 HB1 ALA 1 2HB ALA 1 -1.391 27.180 8.158 4 HB2 ALA 1 3HB ALA 1 -0.512 25.818 8.854 5 HB3 ALA 1 1HB ALA 1 -0.646 27.332 9.750 6 H SER 2 H SER 2 -2.689 25.013 11.974 7 HA SER 2 HA SER 2 -1.456 22.529 11.413 8 HB2 SER 2 2HB SER 2 -2.031 23.688 13.695 9 HB3 SER 2 1HB SER 2 -3.551 22.812 13.537 10 HG SER 2 HG SER 2 -1.429 21.839 14.525 11 H LYS 3 H LYS 3 -4.820 23.608 11.322 12 HA LYS 3 HA LYS 3 -6.006 21.070 10.938 13 HB2 LYS 3 2HB LYS 3 -6.938 23.819 10.076 14 HB3 LYS 3 1HB LYS 3 -7.937 22.365 10.054 15 HG2 LYS 3 2HG LYS 3 -7.427 22.098 12.523 16 HG3 LYS 3 1HG LYS 3 -6.694 23.702 12.470 17 HD2 LYS 3 2HD LYS 3 -9.089 24.172 11.232 18 HD3 LYS 3 1HD LYS 3 -9.544 22.933 12.402 19 HE2 LYS 3 2HE LYS 3 -8.226 24.353 14.119 20 HE3 LYS 3 1HE LYS 3 -8.322 25.641 12.919 21 HZ1 LYS 3 3HZ LYS 3 -10.333 24.677 14.678 22 HZ2 LYS 3 1HZ LYS 3 -10.855 24.581 13.067 23 HZ3 LYS 3 2HZ LYS 3 -10.335 26.068 13.702 24 H GLU 4 H GLU 4 -4.667 23.444 8.691 25 HA GLU 4 HA GLU 4 -5.562 22.176 6.309 26 HB2 GLU 4 2HB GLU 4 -3.126 23.937 6.665 27 HB3 GLU 4 1HB GLU 4 -4.000 23.628 5.165 28 HG2 GLU 4 2HG GLU 4 -5.259 24.906 7.608 29 HG3 GLU 4 1HG GLU 4 -4.587 25.821 6.260 30 H LEU 5 H LEU 5 -2.560 21.974 8.186 31 HA LEU 5 HA LEU 5 -1.151 20.287 6.418 32 HB2 LEU 5 2HB LEU 5 -0.951 20.802 9.380 33 HB3 LEU 5 1HB LEU 5 0.096 19.632 8.577 34 HG LEU 5 HG LEU 5 -0.166 22.352 7.359 35 HD11 LEU 5 1HD1 LEU 5 0.238 23.064 9.578 36 HD12 LEU 5 2HD1 LEU 5 1.848 22.976 8.863 37 HD13 LEU 5 3HD1 LEU 5 1.281 21.682 9.920 38 HD21 LEU 5 3HD2 LEU 5 1.158 20.521 6.299 39 HD22 LEU 5 1HD2 LEU 5 2.165 20.443 7.744 40 HD23 LEU 5 2HD2 LEU 5 2.165 21.896 6.744 41 H GLU 6 H GLU 6 -3.342 19.595 9.111 42 HA GLU 6 HA GLU 6 -2.977 16.787 9.127 43 HB2 GLU 6 2HB GLU 6 -5.136 18.628 10.121 44 HB3 GLU 6 1HB GLU 6 -5.338 16.877 10.202 45 HG2 GLU 6 2HG GLU 6 -2.832 18.191 11.239 46 HG3 GLU 6 1HG GLU 6 -4.276 18.079 12.245 47 H LEU 7 H LEU 7 -5.189 18.913 7.364 48 HA LEU 7 HA LEU 7 -6.835 16.895 6.267 49 HB2 LEU 7 2HB LEU 7 -6.188 19.725 5.504 50 HB3 LEU 7 1HB LEU 7 -7.170 18.720 4.436 51 HG LEU 7 HG LEU 7 -7.849 18.814 7.354 52 HD11 LEU 7 1HD1 LEU 7 -9.358 20.768 6.831 53 HD12 LEU 7 2HD1 LEU 7 -8.486 20.957 5.310 54 HD13 LEU 7 3HD1 LEU 7 -7.640 21.163 6.843 55 HD21 LEU 7 3HD2 LEU 7 -9.902 18.041 6.638 56 HD22 LEU 7 1HD2 LEU 7 -8.909 17.430 5.315 57 HD23 LEU 7 2HD2 LEU 7 -9.823 18.926 5.116 58 H ILE 8 H ILE 8 -3.882 18.456 5.065 59 HA ILE 8 HA ILE 8 -3.828 17.098 2.568 60 HB ILE 8 HB ILE 8 -1.609 18.388 4.173 61 HG12 ILE 8 2HG1 ILE 8 -3.014 19.411 1.697 62 HG13 ILE 8 1HG1 ILE 8 -3.602 19.775 3.319 63 HG21 ILE 8 1HG2 ILE 8 -0.754 18.474 1.620 64 HG22 ILE 8 2HG2 ILE 8 -1.672 16.970 1.556 65 HG23 ILE 8 3HG2 ILE 8 -0.348 17.146 2.707 66 HD11 ILE 8 3HD1 ILE 8 -1.826 21.148 3.805 67 HD12 ILE 8 1HD1 ILE 8 -1.824 21.347 2.054 68 HD13 ILE 8 2HD1 ILE 8 -0.701 20.219 2.816 69 H THR 9 H THR 9 -2.475 16.391 5.753 70 HA THR 9 HA THR 9 -0.913 14.155 4.930 71 HB THR 9 HB THR 9 -2.041 14.825 7.659 72 HG1 THR 9 1HG THR 9 0.326 15.506 6.280 73 HG21 THR 9 3HG2 THR 9 -0.374 12.637 6.619 74 HG22 THR 9 1HG2 THR 9 -1.264 12.752 8.138 75 HG23 THR 9 2HG2 THR 9 0.337 13.478 7.997 76 H LEU 10 H LEU 10 -4.208 14.534 6.155 77 HA LEU 10 HA LEU 10 -4.809 11.812 6.542 78 HB2 LEU 10 2HB LEU 10 -6.407 14.299 6.097 79 HB3 LEU 10 1HB LEU 10 -7.223 12.740 5.961 80 HG LEU 10 HG LEU 10 -5.443 13.182 8.321 81 HD11 LEU 10 1HD1 LEU 10 -6.600 15.180 8.610 82 HD12 LEU 10 2HD1 LEU 10 -7.680 14.050 9.424 83 HD13 LEU 10 3HD1 LEU 10 -8.040 14.585 7.784 84 HD21 LEU 10 3HD2 LEU 10 -6.784 11.051 7.650 85 HD22 LEU 10 1HD2 LEU 10 -8.192 11.947 8.219 86 HD23 LEU 10 2HD2 LEU 10 -6.866 11.592 9.326 87 H THR 11 H THR 11 -5.192 13.909 3.696 88 HA THR 11 HA THR 11 -6.449 12.016 2.032 89 HB THR 11 HB THR 11 -4.619 14.306 1.276 90 HG1 THR 11 1HG THR 11 -6.452 14.921 2.468 91 HG21 THR 11 3HG2 THR 11 -6.579 12.637 -0.315 92 HG22 THR 11 1HG2 THR 11 -4.847 12.812 -0.599 93 HG23 THR 11 2HG2 THR 11 -5.929 14.176 -0.878 94 H VAL 12 H VAL 12 -3.013 12.826 2.470 95 HA VAL 12 HA VAL 12 -1.953 11.093 0.538 96 HB VAL 12 HB VAL 12 -0.801 12.070 3.158 97 HG11 VAL 12 1HG1 VAL 12 1.390 11.480 1.864 98 HG12 VAL 12 2HG1 VAL 12 0.354 10.390 0.942 99 HG13 VAL 12 3HG1 VAL 12 0.518 10.187 2.687 100 HG21 VAL 12 3HG2 VAL 12 -0.073 12.916 0.352 101 HG22 VAL 12 1HG2 VAL 12 0.212 13.773 1.866 102 HG23 VAL 12 2HG2 VAL 12 -1.421 13.667 1.208 103 H GLY 13 H GLY 13 -2.507 10.555 4.016 104 HA2 GLY 13 2HA GLY 13 -1.589 7.894 4.102 105 HA3 GLY 13 1HA GLY 13 -2.716 8.620 5.245 106 H PHE 14 H PHE 14 -4.794 9.258 3.440 107 HA PHE 14 HA PHE 14 -6.213 6.818 3.375 108 HB2 PHE 14 2HB PHE 14 -7.418 8.900 3.520 109 HB3 PHE 14 1HB PHE 14 -6.731 9.458 1.995 110 HD1 PHE 14 2HD PHE 14 -8.842 6.757 3.482 111 HD2 PHE 14 1HD PHE 14 -7.780 8.951 -0.055 112 HE1 PHE 14 2HE PHE 14 -10.692 5.660 2.246 113 HE2 PHE 14 1HE PHE 14 -9.629 7.854 -1.291 114 HZ PHE 14 HZ PHE 14 -11.085 6.209 -0.140 115 H GLY 15 H GLY 15 -4.828 8.767 0.722 116 HA2 GLY 15 2HA GLY 15 -5.499 7.132 -1.418 117 HA3 GLY 15 1HA GLY 15 -4.068 8.155 -1.364 118 H ILE 16 H ILE 16 -2.790 6.875 0.833 119 HA ILE 16 HA ILE 16 -1.446 4.766 -0.532 120 HB ILE 16 HB ILE 16 -1.332 5.775 2.311 121 HG12 ILE 16 2HG1 ILE 16 0.857 5.810 0.244 122 HG13 ILE 16 1HG1 ILE 16 -0.411 7.036 0.206 123 HG21 ILE 16 1HG2 ILE 16 -0.045 3.401 1.009 124 HG22 ILE 16 2HG2 ILE 16 -0.645 3.583 2.657 125 HG23 ILE 16 3HG2 ILE 16 0.881 4.330 2.187 126 HD11 ILE 16 3HD1 ILE 16 0.145 7.821 2.389 127 HD12 ILE 16 1HD1 ILE 16 1.684 7.628 1.552 128 HD13 ILE 16 2HD1 ILE 16 1.157 6.415 2.716 129 H LEU 17 H LEU 17 -3.818 4.868 2.093 130 HA LEU 17 HA LEU 17 -3.804 2.174 2.816 131 HB2 LEU 17 2HB LEU 17 -5.061 4.095 3.929 132 HB3 LEU 17 1HB LEU 17 -6.296 3.876 2.689 133 HG LEU 17 HG LEU 17 -6.078 1.326 3.448 134 HD11 LEU 17 1HD1 LEU 17 -5.659 2.688 6.092 135 HD12 LEU 17 2HD1 LEU 17 -4.258 2.214 5.130 136 HD13 LEU 17 3HD1 LEU 17 -5.416 0.995 5.662 137 HD21 LEU 17 3HD2 LEU 17 -7.858 1.960 5.266 138 HD22 LEU 17 1HD2 LEU 17 -8.204 2.312 3.573 139 HD23 LEU 17 2HD2 LEU 17 -7.650 3.598 4.645 140 H ILE 18 H ILE 18 -5.518 3.832 0.194 141 HA ILE 18 HA ILE 18 -7.086 1.600 -0.625 142 HB ILE 18 HB ILE 18 -6.110 3.965 -2.260 143 HG12 ILE 18 2HG1 ILE 18 -7.308 4.771 -0.313 144 HG13 ILE 18 1HG1 ILE 18 -8.376 4.908 -1.703 145 HG21 ILE 18 1HG2 ILE 18 -8.238 3.470 -3.548 146 HG22 ILE 18 2HG2 ILE 18 -8.341 1.955 -2.652 147 HG23 ILE 18 3HG2 ILE 18 -6.970 2.256 -3.719 148 HD11 ILE 18 3HD1 ILE 18 -8.482 2.971 0.587 149 HD12 ILE 18 1HD1 ILE 18 -9.193 2.527 -0.962 150 HD13 ILE 18 2HD1 ILE 18 -9.777 3.947 -0.103 151 H PHE 19 H PHE 19 -4.074 2.950 -1.892 152 HA PHE 19 HA PHE 19 -3.630 1.035 -3.899 153 HB2 PHE 19 2HB PHE 19 -2.236 3.237 -2.874 154 HB3 PHE 19 1HB PHE 19 -1.148 1.867 -2.658 155 HD1 PHE 19 1HD PHE 19 -1.030 0.199 -4.728 156 HD2 PHE 19 2HD PHE 19 -2.270 4.306 -4.951 157 HE1 PHE 19 1HE PHE 19 -0.506 0.226 -7.151 158 HE2 PHE 19 2HE PHE 19 -1.748 4.331 -7.374 159 HZ PHE 19 HZ PHE 19 -0.867 2.292 -8.475 160 H SER 20 H SER 20 -2.536 1.102 -0.518 161 HA SER 20 HA SER 20 -1.035 -1.252 -0.523 162 HB2 SER 20 2HB SER 20 -2.719 -0.092 1.707 163 HB3 SER 20 1HB SER 20 -1.481 -1.329 1.907 164 HG SER 20 HG SER 20 -0.479 0.585 2.284 165 H LEU 21 H LEU 21 -4.506 -0.734 -0.101 166 HA LEU 21 HA LEU 21 -5.132 -3.353 0.651 167 HB2 LEU 21 2HB LEU 21 -6.726 -1.510 0.881 168 HB3 LEU 21 1HB LEU 21 -6.827 -1.350 -0.861 169 HG LEU 21 HG LEU 21 -8.727 -2.640 0.282 170 HD11 LEU 21 1HD1 LEU 21 -9.129 -3.754 -1.649 171 HD12 LEU 21 2HD1 LEU 21 -7.594 -4.610 -1.598 172 HD13 LEU 21 3HD1 LEU 21 -7.663 -2.965 -2.223 173 HD21 LEU 21 3HD2 LEU 21 -8.379 -4.833 1.077 174 HD22 LEU 21 1HD2 LEU 21 -7.053 -3.907 1.774 175 HD23 LEU 21 2HD2 LEU 21 -6.776 -4.939 0.364 176 H ILE 22 H ILE 22 -5.331 -1.834 -2.559 177 HA ILE 22 HA ILE 22 -6.073 -4.095 -4.007 178 HB ILE 22 HB ILE 22 -4.418 -1.695 -4.790 179 HG12 ILE 22 2HG1 ILE 22 -7.210 -2.422 -5.673 180 HG13 ILE 22 1HG1 ILE 22 -6.937 -1.600 -4.137 181 HG21 ILE 22 1HG2 ILE 22 -5.293 -2.596 -7.149 182 HG22 ILE 22 2HG2 ILE 22 -5.170 -4.147 -6.318 183 HG23 ILE 22 3HG2 ILE 22 -3.748 -3.116 -6.477 184 HD11 ILE 22 3HD1 ILE 22 -5.623 -0.521 -6.607 185 HD12 ILE 22 1HD1 ILE 22 -6.143 0.334 -5.156 186 HD13 ILE 22 2HD1 ILE 22 -7.337 -0.196 -6.343 187 H VAL 23 H VAL 23 -2.971 -3.162 -2.743 188 HA VAL 23 HA VAL 23 -1.432 -5.028 -4.287 189 HB VAL 23 HB VAL 23 -0.760 -3.538 -1.738 190 HG11 VAL 23 1HG1 VAL 23 1.594 -4.059 -3.039 191 HG12 VAL 23 2HG1 VAL 23 0.677 -5.524 -3.386 192 HG13 VAL 23 3HG1 VAL 23 0.957 -5.035 -1.716 193 HG21 VAL 23 3HG2 VAL 23 0.519 -2.799 -4.288 194 HG22 VAL 23 1HG2 VAL 23 -0.186 -1.766 -3.045 195 HG23 VAL 23 2HG2 VAL 23 -1.221 -2.516 -4.258 196 H THR 24 H THR 24 -2.503 -4.894 -0.894 197 HA THR 24 HA THR 24 -1.507 -7.416 -0.136 198 HB THR 24 HB THR 24 -3.917 -5.948 0.965 199 HG1 THR 24 1HG THR 24 -2.529 -4.734 1.970 200 HG21 THR 24 3HG2 THR 24 -3.247 -7.217 3.053 201 HG22 THR 24 1HG2 THR 24 -2.162 -8.168 2.039 202 HG23 THR 24 2HG2 THR 24 -3.901 -8.217 1.756 203 H TYR 25 H TYR 25 -4.433 -6.422 -1.776 204 HA TYR 25 HA TYR 25 -5.859 -8.875 -1.457 205 HB2 TYR 25 2HB TYR 25 -7.063 -6.865 -2.045 206 HB3 TYR 25 1HB TYR 25 -6.108 -6.672 -3.514 207 HD1 TYR 25 1HD TYR 25 -8.596 -8.850 -1.812 208 HD2 TYR 25 2HD TYR 25 -6.629 -7.882 -5.505 209 HE1 TYR 25 1HE TYR 25 -10.190 -10.300 -3.042 210 HE2 TYR 25 2HE TYR 25 -8.222 -9.331 -6.734 211 HH TYR 25 HH TYR 25 -10.231 -10.413 -6.563 212 H CYS 26 H CYS 26 -3.951 -7.542 -4.161 213 HA CYS 26 HA CYS 26 -4.209 -9.677 -5.932 214 HB2 CYS 26 2HB CYS 26 -1.820 -7.866 -5.503 215 HB3 CYS 26 1HB CYS 26 -2.090 -8.877 -6.922 216 HG CYS 26 HG CYS 26 -3.037 -6.286 -7.099 217 H ILE 27 H ILE 27 -1.947 -9.205 -3.251 218 HA ILE 27 HA ILE 27 -0.330 -11.476 -3.752 219 HB ILE 27 HB ILE 27 -0.916 -9.911 -1.235 220 HG12 ILE 27 2HG1 ILE 27 1.647 -10.120 -2.823 221 HG13 ILE 27 1HG1 ILE 27 0.399 -8.941 -3.226 222 HG21 ILE 27 1HG2 ILE 27 1.195 -11.129 -0.413 223 HG22 ILE 27 2HG2 ILE 27 0.889 -12.291 -1.702 224 HG23 ILE 27 3HG2 ILE 27 -0.301 -12.061 -0.419 225 HD11 ILE 27 3HD1 ILE 27 2.354 -8.313 -1.546 226 HD12 ILE 27 1HD1 ILE 27 1.314 -9.135 -0.382 227 HD13 ILE 27 2HD1 ILE 27 0.710 -7.735 -1.269 228 H ASN 28 H ASN 28 -3.116 -11.000 -1.578 229 HA ASN 28 HA ASN 28 -3.227 -13.545 -0.465 230 HB2 ASN 28 2HB ASN 28 -5.321 -11.479 -1.074 231 HB3 ASN 28 1HB ASN 28 -5.778 -13.041 -0.401 232 HD21 ASN 28 1HD2 ASN 28 -5.603 -10.150 0.778 233 HD22 ASN 28 2HD2 ASN 28 -4.759 -10.382 2.231 234 H ALA 29 H ALA 29 -4.646 -12.357 -3.492 235 HA ALA 29 HA ALA 29 -6.023 -14.714 -4.192 236 HB1 ALA 29 1HB ALA 29 -5.640 -12.184 -5.316 237 HB2 ALA 29 2HB ALA 29 -6.640 -13.483 -5.965 238 HB3 ALA 29 3HB ALA 29 -4.969 -13.308 -6.499 239 H LYS 30 H LYS 30 -2.766 -13.572 -5.072 240 HA LYS 30 HA LYS 30 -2.084 -15.810 -6.657 241 HB2 LYS 30 2HB LYS 30 -0.346 -13.856 -5.141 242 HB3 LYS 30 1HB LYS 30 0.267 -15.041 -6.293 243 HG2 LYS 30 2HG LYS 30 -0.941 -14.039 -8.104 244 HG3 LYS 30 1HG LYS 30 -1.870 -13.020 -7.004 245 HD2 LYS 30 2HD LYS 30 -0.109 -11.564 -6.640 246 HD3 LYS 30 1HD LYS 30 1.112 -12.802 -6.945 247 HE2 LYS 30 2HE LYS 30 0.836 -10.990 -8.747 248 HE3 LYS 30 1HE LYS 30 0.816 -12.665 -9.300 249 HZ1 LYS 30 3HZ LYS 30 -1.009 -11.076 -10.110 250 HZ2 LYS 30 1HZ LYS 30 -1.691 -11.295 -8.573 251 HZ3 LYS 30 2HZ LYS 30 -1.461 -12.631 -9.597 252 H ALA 31 H ALA 31 -1.623 -15.093 -3.233 253 HA ALA 31 HA ALA 31 -0.058 -17.347 -2.591 254 HB1 ALA 31 1HB ALA 31 -0.825 -15.164 -1.215 255 HB2 ALA 31 2HB ALA 31 -0.215 -16.623 -0.435 256 HB3 ALA 31 3HB ALA 31 -1.952 -16.342 -0.544 257 H ASP 32 H ASP 32 -3.554 -16.825 -2.606 258 HA ASP 32 HA ASP 32 -4.349 -19.257 -1.472 259 HB2 ASP 32 2HB ASP 32 -5.693 -17.419 -3.450 260 HB3 ASP 32 1HB ASP 32 -6.482 -18.861 -2.817 261 H VAL 33 H VAL 33 -3.646 -18.405 -4.826 262 HA VAL 33 HA VAL 33 -4.343 -20.987 -5.854 263 HB VAL 33 HB VAL 33 -2.900 -18.603 -6.993 264 HG11 VAL 33 1HG1 VAL 33 -1.789 -20.318 -8.143 265 HG12 VAL 33 2HG1 VAL 33 -3.173 -19.999 -9.188 266 HG13 VAL 33 3HG1 VAL 33 -3.191 -21.387 -8.098 267 HG21 VAL 33 3HG2 VAL 33 -5.321 -19.884 -8.184 268 HG22 VAL 33 1HG2 VAL 33 -4.896 -18.176 -8.075 269 HG23 VAL 33 2HG2 VAL 33 -5.533 -19.017 -6.662 270 H LEU 34 H LEU 34 -1.323 -19.367 -5.038 271 HA LEU 34 HA LEU 34 0.552 -21.131 -5.942 272 HB2 LEU 34 2HB LEU 34 0.443 -19.435 -3.486 273 HB3 LEU 34 1HB LEU 34 1.824 -20.491 -3.767 274 HG LEU 34 HG LEU 34 0.890 -18.717 -5.997 275 HD11 LEU 34 1HD1 LEU 34 2.857 -17.208 -4.894 276 HD12 LEU 34 2HD1 LEU 34 2.096 -17.828 -3.432 277 HD13 LEU 34 3HD1 LEU 34 1.142 -16.921 -4.604 278 HD21 LEU 34 3HD2 LEU 34 3.736 -19.218 -5.237 279 HD22 LEU 34 1HD2 LEU 34 3.007 -19.104 -6.838 280 HD23 LEU 34 2HD2 LEU 34 2.813 -20.573 -5.883 281 H PHE 35 H PHE 35 -1.478 -21.387 -3.134 282 HA PHE 35 HA PHE 35 -0.635 -24.226 -2.898 283 HB2 PHE 35 2HB PHE 35 -1.242 -22.382 -0.580 284 HB3 PHE 35 1HB PHE 35 -0.804 -24.086 -0.474 285 HD1 PHE 35 2HD PHE 35 1.475 -24.844 -1.043 286 HD2 PHE 35 1HD PHE 35 0.403 -20.683 -1.071 287 HE1 PHE 35 2HE PHE 35 3.876 -24.226 -1.083 288 HE2 PHE 35 1HE PHE 35 2.804 -20.066 -1.112 289 HZ PHE 35 HZ PHE 35 4.541 -21.836 -1.118 290 H ILE 36 H ILE 36 -2.574 -24.385 -4.309 291 HA ILE 36 HA ILE 36 -5.032 -24.096 -4.454 292 HB ILE 36 HB ILE 36 -4.382 -26.702 -3.072 293 HG12 ILE 36 2HG1 ILE 36 -2.751 -26.416 -4.833 294 HG13 ILE 36 1HG1 ILE 36 -3.979 -27.533 -5.425 295 HG21 ILE 36 1HG2 ILE 36 -6.758 -26.403 -3.408 296 HG22 ILE 36 2HG2 ILE 36 -6.186 -27.522 -4.642 297 HG23 ILE 36 3HG2 ILE 36 -6.501 -25.839 -5.058 298 HD11 ILE 36 3HD1 ILE 36 -3.540 -24.647 -6.169 299 HD12 ILE 36 1HD1 ILE 36 -5.120 -25.397 -6.397 300 HD13 ILE 36 2HD1 ILE 36 -3.709 -26.050 -7.226 301 H ALA 37 H ALA 37 -5.061 -22.397 -2.685 302 HA ALA 37 HA ALA 37 -6.339 -23.469 -0.251 303 HB1 ALA 37 1HB ALA 37 -5.019 -22.051 0.862 304 HB2 ALA 37 2HB ALA 37 -5.789 -20.699 0.028 305 HB3 ALA 37 3HB ALA 37 -4.353 -21.459 -0.662 306 HA PRO 38 HA PRO 38 -10.383 -21.895 -0.843 307 HB2 PRO 38 2HB PRO 38 -9.797 -19.755 1.163 308 HB3 PRO 38 1HB PRO 38 -11.167 -20.876 1.080 309 HG2 PRO 38 2HG PRO 38 -9.081 -21.192 2.776 310 HG3 PRO 38 1HG PRO 38 -10.046 -22.534 2.146 311 HD2 PRO 38 2HD PRO 38 -7.260 -21.849 1.557 312 HD3 PRO 38 1HD PRO 38 -8.150 -23.340 1.184 313 H ARG 39 H ARG 39 -11.272 -20.522 -2.316 314 HA ARG 39 HA ARG 39 -9.636 -18.230 -3.197 315 HB2 ARG 39 2HB ARG 39 -11.827 -19.762 -4.618 316 HB3 ARG 39 1HB ARG 39 -10.973 -18.372 -5.287 317 HG2 ARG 39 2HG ARG 39 -8.813 -19.704 -4.795 318 HG3 ARG 39 1HG ARG 39 -9.875 -21.102 -4.625 319 HD2 ARG 39 2HD ARG 39 -10.802 -20.602 -6.896 320 HD3 ARG 39 1HD ARG 39 -9.605 -19.320 -7.060 321 HE ARG 39 HE ARG 39 -8.496 -21.923 -6.416 322 HH11 ARG 39 1HH2 ARG 39 -9.499 -19.693 -8.863 323 HH12 ARG 39 2HH2 ARG 39 -8.488 -20.374 -10.093 324 HH21 ARG 39 1HH1 ARG 39 -7.167 -22.823 -8.024 325 HH22 ARG 39 2HH1 ARG 39 -7.167 -22.146 -9.617 326 H GLU 40 H GLU 40 -10.791 -16.285 -3.893 327 HA GLU 40 HA GLU 40 -12.730 -15.528 -1.907 328 HB2 GLU 40 2HB GLU 40 -11.220 -14.110 -4.060 329 HB3 GLU 40 1HB GLU 40 -12.647 -13.339 -3.372 330 HG2 GLU 40 2HG GLU 40 -10.601 -14.521 -1.529 331 HG3 GLU 40 1HG GLU 40 -10.283 -12.954 -2.268 332 HA PRO 41 HA PRO 41 -16.650 -16.191 -3.820 333 HB2 PRO 41 2HB PRO 41 -16.963 -13.218 -3.849 334 HB3 PRO 41 1HB PRO 41 -18.071 -14.462 -3.241 335 HG2 PRO 41 2HG PRO 41 -16.465 -12.937 -1.656 336 HG3 PRO 41 1HG PRO 41 -17.075 -14.536 -1.215 337 HD2 PRO 41 2HD PRO 41 -14.333 -13.741 -1.790 338 HD3 PRO 41 1HD PRO 41 -14.933 -15.291 -1.163 339 H GLY 42 H GLY 42 -17.530 -16.230 -5.887 340 HA2 GLY 42 2HA GLY 42 -17.840 -15.511 -8.118 341 HA3 GLY 42 1HA GLY 42 -16.453 -14.441 -7.943 342 H ALA 43 H ALA 43 -14.470 -16.071 -7.085 343 HA ALA 43 HA ALA 43 -12.849 -17.490 -7.884 344 HB1 ALA 43 1HB ALA 43 -14.443 -19.196 -7.132 345 HB2 ALA 43 2HB ALA 43 -13.619 -19.721 -8.600 346 HB3 ALA 43 3HB ALA 43 -15.274 -19.118 -8.685 347 H VAL 44 H VAL 44 -14.567 -19.016 -10.349 348 HA VAL 44 HA VAL 44 -12.882 -18.126 -12.406 349 HB VAL 44 HB VAL 44 -15.683 -19.242 -12.688 350 HG11 VAL 44 1HG1 VAL 44 -13.302 -18.999 -14.538 351 HG12 VAL 44 2HG1 VAL 44 -14.948 -18.426 -14.803 352 HG13 VAL 44 3HG1 VAL 44 -14.602 -20.154 -14.830 353 HG21 VAL 44 3HG2 VAL 44 -13.089 -20.433 -11.882 354 HG22 VAL 44 1HG2 VAL 44 -13.980 -21.323 -13.119 355 HG23 VAL 44 2HG2 VAL 44 -14.732 -20.988 -11.558 356 H SER 45 H SER 45 -15.683 -16.687 -11.005 357 HA SER 45 HA SER 45 -16.525 -14.552 -11.312 358 HB2 SER 45 2HB SER 45 -15.046 -14.116 -13.857 359 HB3 SER 45 1HB SER 45 -15.352 -13.004 -12.527 360 HG SER 45 HG SER 45 -13.232 -13.541 -12.368 361 H TYR 46 H TYR 46 -17.569 -17.042 -12.445 362 HA TYR 46 HA TYR 46 -19.573 -15.889 -14.156 363 HB2 TYR 46 2HB TYR 46 -17.277 -16.929 -15.422 364 HB3 TYR 46 1HB TYR 46 -18.546 -18.131 -15.644 365 HD1 TYR 46 1HD TYR 46 -20.934 -17.116 -16.250 366 HD2 TYR 46 2HD TYR 46 -17.178 -15.146 -16.931 367 HE1 TYR 46 1HE TYR 46 -21.994 -15.692 -17.981 368 HE2 TYR 46 2HE TYR 46 -18.238 -13.722 -18.660 369 HH TYR 46 HH TYR 46 -20.085 -13.300 -19.814 Start of MODEL 18 1 H ALA 1 1HT ALA 1 1.136 22.822 11.288 2 HA ALA 1 HA ALA 1 0.045 20.859 10.977 3 HB1 ALA 1 2HB ALA 1 -0.866 20.995 13.866 4 HB2 ALA 1 3HB ALA 1 0.544 20.092 13.310 5 HB3 ALA 1 1HB ALA 1 -1.069 19.635 12.760 6 H SER 2 H SER 2 -0.742 23.530 10.514 7 HA SER 2 HA SER 2 -3.184 24.431 11.306 8 HB2 SER 2 2HB SER 2 -1.559 24.702 8.933 9 HB3 SER 2 1HB SER 2 -3.269 24.691 8.512 10 HG SER 2 HG SER 2 -2.069 26.284 10.539 11 H LYS 3 H LYS 3 -5.350 24.162 10.585 12 HA LYS 3 HA LYS 3 -6.295 21.556 10.477 13 HB2 LYS 3 2HB LYS 3 -7.475 24.201 9.683 14 HB3 LYS 3 1HB LYS 3 -8.366 22.709 9.387 15 HG2 LYS 3 2HG LYS 3 -7.157 23.057 12.091 16 HG3 LYS 3 1HG LYS 3 -8.568 24.044 11.707 17 HD2 LYS 3 2HD LYS 3 -9.817 22.004 11.066 18 HD3 LYS 3 1HD LYS 3 -8.408 21.023 11.477 19 HE2 LYS 3 2HE LYS 3 -9.591 22.916 13.498 20 HE3 LYS 3 1HE LYS 3 -10.285 21.312 13.260 21 HZ1 LYS 3 3HZ LYS 3 -7.718 20.691 13.419 22 HZ2 LYS 3 1HZ LYS 3 -8.730 20.765 14.776 23 HZ3 LYS 3 2HZ LYS 3 -7.721 22.079 14.400 24 H GLU 4 H GLU 4 -5.751 23.816 7.781 25 HA GLU 4 HA GLU 4 -6.622 22.129 5.711 26 HB2 GLU 4 2HB GLU 4 -6.093 24.602 5.550 27 HB3 GLU 4 1HB GLU 4 -4.387 24.153 5.491 28 HG2 GLU 4 2HG GLU 4 -4.889 24.208 3.225 29 HG3 GLU 4 1HG GLU 4 -5.210 22.515 3.580 30 H LEU 5 H LEU 5 -3.379 22.599 7.095 31 HA LEU 5 HA LEU 5 -2.021 20.815 5.393 32 HB2 LEU 5 2HB LEU 5 -1.488 21.911 8.143 33 HB3 LEU 5 1HB LEU 5 -0.435 20.671 7.478 34 HG LEU 5 HG LEU 5 0.328 23.039 7.016 35 HD11 LEU 5 1HD1 LEU 5 -0.236 22.092 4.304 36 HD12 LEU 5 2HD1 LEU 5 0.352 20.806 5.349 37 HD13 LEU 5 3HD1 LEU 5 1.310 22.265 5.125 38 HD21 LEU 5 3HD2 LEU 5 -2.113 23.802 6.670 39 HD22 LEU 5 1HD2 LEU 5 -1.969 23.125 5.050 40 HD23 LEU 5 2HD2 LEU 5 -0.913 24.442 5.553 41 H GLU 6 H GLU 6 -3.715 20.312 8.448 42 HA GLU 6 HA GLU 6 -2.937 17.629 8.852 43 HB2 GLU 6 2HB GLU 6 -4.142 19.288 10.455 44 HB3 GLU 6 1HB GLU 6 -5.618 18.684 9.701 45 HG2 GLU 6 2HG GLU 6 -5.452 17.107 11.353 46 HG3 GLU 6 1HG GLU 6 -4.386 16.337 10.180 47 H LEU 7 H LEU 7 -5.710 19.073 7.177 48 HA LEU 7 HA LEU 7 -7.095 16.707 6.577 49 HB2 LEU 7 2HB LEU 7 -6.971 19.433 5.332 50 HB3 LEU 7 1HB LEU 7 -7.855 18.140 4.521 51 HG LEU 7 HG LEU 7 -8.349 18.492 7.439 52 HD11 LEU 7 1HD1 LEU 7 -9.058 20.493 5.315 53 HD12 LEU 7 2HD1 LEU 7 -8.569 20.767 6.987 54 HD13 LEU 7 3HD1 LEU 7 -10.196 20.189 6.628 55 HD21 LEU 7 3HD2 LEU 7 -10.589 17.809 6.780 56 HD22 LEU 7 1HD2 LEU 7 -9.427 16.736 6.000 57 HD23 LEU 7 2HD2 LEU 7 -10.193 18.026 5.074 58 H ILE 8 H ILE 8 -4.633 18.467 4.698 59 HA ILE 8 HA ILE 8 -4.595 16.763 2.463 60 HB ILE 8 HB ILE 8 -2.474 18.521 3.692 61 HG12 ILE 8 2HG1 ILE 8 -3.704 18.975 1.012 62 HG13 ILE 8 1HG1 ILE 8 -4.742 19.233 2.414 63 HG21 ILE 8 1HG2 ILE 8 -1.142 17.019 2.498 64 HG22 ILE 8 2HG2 ILE 8 -1.503 18.225 1.264 65 HG23 ILE 8 3HG2 ILE 8 -2.396 16.705 1.299 66 HD11 ILE 8 3HD1 ILE 8 -1.984 20.408 2.443 67 HD12 ILE 8 1HD1 ILE 8 -3.459 20.990 3.217 68 HD13 ILE 8 2HD1 ILE 8 -3.228 21.199 1.481 69 H THR 9 H THR 9 -2.882 16.604 5.550 70 HA THR 9 HA THR 9 -1.135 14.483 4.900 71 HB THR 9 HB THR 9 -2.293 15.350 7.557 72 HG1 THR 9 1HG THR 9 -0.709 16.718 7.533 73 HG21 THR 9 3HG2 THR 9 -0.188 13.309 6.839 74 HG22 THR 9 1HG2 THR 9 -1.596 13.105 7.881 75 HG23 THR 9 2HG2 THR 9 -0.234 14.086 8.422 76 H LEU 10 H LEU 10 -4.352 14.505 6.419 77 HA LEU 10 HA LEU 10 -4.561 11.734 6.851 78 HB2 LEU 10 2HB LEU 10 -6.082 13.380 7.862 79 HB3 LEU 10 1HB LEU 10 -6.768 13.726 6.273 80 HG LEU 10 HG LEU 10 -6.732 10.863 6.842 81 HD11 LEU 10 1HD1 LEU 10 -7.066 11.392 9.139 82 HD12 LEU 10 2HD1 LEU 10 -8.681 11.094 8.494 83 HD13 LEU 10 3HD1 LEU 10 -8.129 12.747 8.753 84 HD21 LEU 10 3HD2 LEU 10 -9.017 11.035 6.051 85 HD22 LEU 10 1HD2 LEU 10 -8.014 12.082 5.048 86 HD23 LEU 10 2HD2 LEU 10 -9.023 12.778 6.315 87 H THR 11 H THR 11 -5.227 13.723 4.025 88 HA THR 11 HA THR 11 -6.555 11.721 2.503 89 HB THR 11 HB THR 11 -5.056 14.211 1.669 90 HG1 THR 11 1HG THR 11 -7.230 14.022 2.904 91 HG21 THR 11 3HG2 THR 11 -5.076 13.238 -0.382 92 HG22 THR 11 1HG2 THR 11 -6.798 13.617 -0.360 93 HG23 THR 11 2HG2 THR 11 -6.245 12.010 0.107 94 H VAL 12 H VAL 12 -3.172 12.746 2.748 95 HA VAL 12 HA VAL 12 -2.167 11.092 0.689 96 HB VAL 12 HB VAL 12 -0.715 12.040 3.172 97 HG11 VAL 12 1HG1 VAL 12 0.151 11.046 0.450 98 HG12 VAL 12 2HG1 VAL 12 0.636 10.446 2.036 99 HG13 VAL 12 3HG1 VAL 12 1.213 12.014 1.469 100 HG21 VAL 12 3HG2 VAL 12 -1.936 13.546 1.080 101 HG22 VAL 12 1HG2 VAL 12 -0.193 13.607 0.826 102 HG23 VAL 12 2HG2 VAL 12 -0.878 14.135 2.361 103 H GLY 13 H GLY 13 -2.731 10.561 4.130 104 HA2 GLY 13 2HA GLY 13 -1.404 8.047 4.299 105 HA3 GLY 13 1HA GLY 13 -2.592 8.669 5.440 106 H PHE 14 H PHE 14 -4.816 8.960 3.839 107 HA PHE 14 HA PHE 14 -5.889 6.364 3.795 108 HB2 PHE 14 2HB PHE 14 -7.260 8.409 3.967 109 HB3 PHE 14 1HB PHE 14 -6.849 8.815 2.303 110 HD1 PHE 14 1HD PHE 14 -8.144 5.892 4.277 111 HD2 PHE 14 2HD PHE 14 -8.344 8.159 0.633 112 HE1 PHE 14 1HE PHE 14 -9.985 4.439 3.472 113 HE2 PHE 14 2HE PHE 14 -10.182 6.708 -0.170 114 HZ PHE 14 HZ PHE 14 -11.004 4.846 1.248 115 H GLY 15 H GLY 15 -4.604 8.393 1.182 116 HA2 GLY 15 2HA GLY 15 -5.230 6.673 -0.963 117 HA3 GLY 15 1HA GLY 15 -3.960 7.891 -0.970 118 H ILE 16 H ILE 16 -2.396 6.873 1.155 119 HA ILE 16 HA ILE 16 -0.835 4.941 -0.220 120 HB ILE 16 HB ILE 16 -0.759 6.012 2.596 121 HG12 ILE 16 2HG1 ILE 16 1.332 6.292 0.450 122 HG13 ILE 16 1HG1 ILE 16 -0.090 7.338 0.440 123 HG21 ILE 16 1HG2 ILE 16 0.818 3.821 1.286 124 HG22 ILE 16 2HG2 ILE 16 0.213 3.923 2.940 125 HG23 ILE 16 3HG2 ILE 16 1.611 4.880 2.452 126 HD11 ILE 16 3HD1 ILE 16 1.793 8.377 1.672 127 HD12 ILE 16 1HD1 ILE 16 1.820 7.000 2.774 128 HD13 ILE 16 2HD1 ILE 16 0.419 8.071 2.734 129 H LEU 17 H LEU 17 -3.042 4.748 2.550 130 HA LEU 17 HA LEU 17 -2.644 2.067 3.235 131 HB2 LEU 17 2HB LEU 17 -4.113 3.945 4.338 132 HB3 LEU 17 1HB LEU 17 -5.389 3.269 3.324 133 HG LEU 17 HG LEU 17 -4.428 0.974 4.306 134 HD11 LEU 17 1HD1 LEU 17 -3.464 1.128 6.424 135 HD12 LEU 17 2HD1 LEU 17 -4.105 2.747 6.709 136 HD13 LEU 17 3HD1 LEU 17 -2.739 2.518 5.615 137 HD21 LEU 17 3HD2 LEU 17 -6.136 1.286 6.199 138 HD22 LEU 17 1HD2 LEU 17 -6.732 1.542 4.559 139 HD23 LEU 17 2HD2 LEU 17 -6.355 2.925 5.587 140 H ILE 18 H ILE 18 -4.781 3.529 0.809 141 HA ILE 18 HA ILE 18 -6.148 1.181 0.041 142 HB ILE 18 HB ILE 18 -5.452 3.666 -1.530 143 HG12 ILE 18 2HG1 ILE 18 -8.128 2.847 -0.387 144 HG13 ILE 18 1HG1 ILE 18 -6.953 3.736 0.583 145 HG21 ILE 18 1HG2 ILE 18 -6.898 1.168 -2.250 146 HG22 ILE 18 2HG2 ILE 18 -6.026 2.299 -3.283 147 HG23 ILE 18 3HG2 ILE 18 -7.660 2.681 -2.741 148 HD11 ILE 18 3HD1 ILE 18 -8.808 4.871 -1.136 149 HD12 ILE 18 1HD1 ILE 18 -7.324 4.890 -2.086 150 HD13 ILE 18 2HD1 ILE 18 -7.369 5.672 -0.506 151 H PHE 19 H PHE 19 -3.318 2.758 -1.454 152 HA PHE 19 HA PHE 19 -2.805 0.881 -3.446 153 HB2 PHE 19 2HB PHE 19 -1.513 3.141 -2.415 154 HB3 PHE 19 1HB PHE 19 -0.339 1.834 -2.258 155 HD1 PHE 19 1HD PHE 19 0.076 0.335 -4.311 156 HD2 PHE 19 2HD PHE 19 -1.931 4.128 -4.515 157 HE1 PHE 19 1HE PHE 19 0.523 0.441 -6.748 158 HE2 PHE 19 2HE PHE 19 -1.484 4.233 -6.952 159 HZ PHE 19 HZ PHE 19 -0.257 2.388 -8.069 160 H SER 20 H SER 20 -1.532 0.960 -0.118 161 HA SER 20 HA SER 20 0.016 -1.376 -0.269 162 HB2 SER 20 2HB SER 20 -0.454 -1.428 2.282 163 HB3 SER 20 1HB SER 20 0.410 -0.045 1.616 164 HG SER 20 HG SER 20 -1.711 0.077 3.040 165 H LEU 21 H LEU 21 -3.405 -0.898 0.467 166 HA LEU 21 HA LEU 21 -3.936 -3.561 1.270 167 HB2 LEU 21 2HB LEU 21 -5.435 -1.654 1.770 168 HB3 LEU 21 1HB LEU 21 -5.823 -1.522 0.064 169 HG LEU 21 HG LEU 21 -6.673 -3.880 0.107 170 HD11 LEU 21 1HD1 LEU 21 -7.189 -4.526 2.659 171 HD12 LEU 21 2HD1 LEU 21 -5.688 -3.641 2.913 172 HD13 LEU 21 3HD1 LEU 21 -5.714 -5.039 1.844 173 HD21 LEU 21 3HD2 LEU 21 -8.662 -2.924 0.465 174 HD22 LEU 21 1HD2 LEU 21 -7.860 -1.546 1.220 175 HD23 LEU 21 2HD2 LEU 21 -8.358 -2.923 2.202 176 H ILE 22 H ILE 22 -4.370 -1.876 -1.825 177 HA ILE 22 HA ILE 22 -5.449 -4.021 -3.275 178 HB ILE 22 HB ILE 22 -3.743 -1.695 -4.182 179 HG12 ILE 22 2HG1 ILE 22 -6.692 -2.112 -4.642 180 HG13 ILE 22 1HG1 ILE 22 -6.118 -1.441 -3.116 181 HG21 ILE 22 1HG2 ILE 22 -4.912 -4.009 -5.643 182 HG22 ILE 22 2HG2 ILE 22 -3.506 -3.020 -6.040 183 HG23 ILE 22 3HG2 ILE 22 -5.128 -2.422 -6.383 184 HD11 ILE 22 3HD1 ILE 22 -5.408 -0.329 -5.846 185 HD12 ILE 22 1HD1 ILE 22 -4.997 0.378 -4.282 186 HD13 ILE 22 2HD1 ILE 22 -6.680 0.317 -4.807 187 H VAL 23 H VAL 23 -2.190 -3.352 -2.281 188 HA VAL 23 HA VAL 23 -0.903 -5.120 -4.138 189 HB VAL 23 HB VAL 23 0.037 -3.929 -1.519 190 HG11 VAL 23 1HG1 VAL 23 1.364 -5.690 -3.567 191 HG12 VAL 23 2HG1 VAL 23 1.438 -5.788 -1.808 192 HG13 VAL 23 3HG1 VAL 23 2.317 -4.517 -2.658 193 HG21 VAL 23 3HG2 VAL 23 1.126 -3.161 -4.183 194 HG22 VAL 23 1HG2 VAL 23 0.851 -2.167 -2.754 195 HG23 VAL 23 2HG2 VAL 23 -0.500 -2.600 -3.801 196 H THR 24 H THR 24 -1.657 -5.329 -0.654 197 HA THR 24 HA THR 24 -0.808 -8.025 -0.367 198 HB THR 24 HB THR 24 -2.841 -6.529 1.306 199 HG1 THR 24 1HG THR 24 -0.069 -6.417 1.088 200 HG21 THR 24 3HG2 THR 24 -1.062 -8.926 1.810 201 HG22 THR 24 1HG2 THR 24 -2.826 -8.888 1.812 202 HG23 THR 24 2HG2 THR 24 -1.923 -8.063 3.084 203 H TYR 25 H TYR 25 -3.827 -6.520 -1.327 204 HA TYR 25 HA TYR 25 -5.499 -8.805 -1.036 205 HB2 TYR 25 2HB TYR 25 -6.492 -6.615 -1.262 206 HB3 TYR 25 1HB TYR 25 -5.719 -6.378 -2.829 207 HD1 TYR 25 1HD TYR 25 -8.269 -8.356 -0.996 208 HD2 TYR 25 2HD TYR 25 -6.620 -7.345 -4.831 209 HE1 TYR 25 1HE TYR 25 -10.190 -9.458 -2.112 210 HE2 TYR 25 2HE TYR 25 -8.541 -8.447 -5.947 211 HH TYR 25 HH TYR 25 -10.687 -9.216 -5.576 212 H CYS 26 H CYS 26 -3.837 -7.441 -3.884 213 HA CYS 26 HA CYS 26 -4.619 -9.388 -5.736 214 HB2 CYS 26 2HB CYS 26 -2.038 -7.807 -5.619 215 HB3 CYS 26 1HB CYS 26 -2.637 -8.676 -7.031 216 HG CYS 26 HG CYS 26 -3.416 -5.928 -6.464 217 H ILE 27 H ILE 27 -1.761 -9.262 -3.618 218 HA ILE 27 HA ILE 27 -0.529 -11.612 -4.507 219 HB ILE 27 HB ILE 27 -0.525 -10.398 -1.731 220 HG12 ILE 27 2HG1 ILE 27 0.252 -9.087 -3.903 221 HG13 ILE 27 1HG1 ILE 27 1.221 -9.028 -2.432 222 HG21 ILE 27 1HG2 ILE 27 1.792 -11.579 -1.746 223 HG22 ILE 27 2HG2 ILE 27 1.120 -12.546 -3.063 224 HG23 ILE 27 3HG2 ILE 27 0.361 -12.570 -1.475 225 HD11 ILE 27 3HD1 ILE 27 2.795 -10.582 -3.264 226 HD12 ILE 27 1HD1 ILE 27 2.445 -9.558 -4.650 227 HD13 ILE 27 2HD1 ILE 27 1.706 -11.145 -4.527 228 H ASN 28 H ASN 28 -2.827 -11.127 -1.837 229 HA ASN 28 HA ASN 28 -2.950 -13.793 -0.972 230 HB2 ASN 28 2HB ASN 28 -4.922 -11.516 -0.860 231 HB3 ASN 28 1HB ASN 28 -5.291 -13.099 -0.177 232 HD21 ASN 28 1HD2 ASN 28 -1.943 -12.130 -0.109 233 HD22 ASN 28 2HD2 ASN 28 -1.882 -11.745 1.543 234 H ALA 29 H ALA 29 -4.985 -12.054 -3.324 235 HA ALA 29 HA ALA 29 -6.740 -14.127 -3.964 236 HB1 ALA 29 1HB ALA 29 -7.028 -11.797 -4.728 237 HB2 ALA 29 2HB ALA 29 -7.117 -12.936 -6.072 238 HB3 ALA 29 3HB ALA 29 -5.650 -11.991 -5.815 239 H LYS 30 H LYS 30 -3.572 -13.328 -5.360 240 HA LYS 30 HA LYS 30 -3.543 -15.297 -7.362 241 HB2 LYS 30 2HB LYS 30 -1.267 -14.031 -5.832 242 HB3 LYS 30 1HB LYS 30 -1.062 -15.034 -7.267 243 HG2 LYS 30 2HG LYS 30 -2.996 -12.769 -7.443 244 HG3 LYS 30 1HG LYS 30 -1.278 -12.372 -7.436 245 HD2 LYS 30 2HD LYS 30 -0.860 -13.695 -9.376 246 HD3 LYS 30 1HD LYS 30 -2.437 -14.479 -9.268 247 HE2 LYS 30 2HE LYS 30 -1.975 -11.535 -9.836 248 HE3 LYS 30 1HE LYS 30 -2.426 -12.749 -11.032 249 HZ1 LYS 30 3HZ LYS 30 -4.479 -12.009 -10.488 250 HZ2 LYS 30 1HZ LYS 30 -4.030 -11.529 -8.925 251 HZ3 LYS 30 2HZ LYS 30 -4.321 -13.169 -9.257 252 H ALA 31 H ALA 31 -2.365 -15.377 -4.025 253 HA ALA 31 HA ALA 31 -1.350 -18.012 -4.118 254 HB1 ALA 31 1HB ALA 31 -2.417 -16.922 -1.563 255 HB2 ALA 31 2HB ALA 31 -1.078 -16.072 -2.336 256 HB3 ALA 31 3HB ALA 31 -0.901 -17.768 -1.881 257 H ASP 32 H ASP 32 -4.484 -16.688 -3.188 258 HA ASP 32 HA ASP 32 -5.689 -18.954 -2.139 259 HB2 ASP 32 2HB ASP 32 -6.840 -16.668 -3.735 260 HB3 ASP 32 1HB ASP 32 -7.840 -17.909 -3.006 261 H VAL 33 H VAL 33 -5.601 -17.875 -5.516 262 HA VAL 33 HA VAL 33 -7.022 -20.112 -6.535 263 HB VAL 33 HB VAL 33 -5.135 -18.220 -7.943 264 HG11 VAL 33 1HG1 VAL 33 -5.359 -19.996 -9.440 265 HG12 VAL 33 2HG1 VAL 33 -6.730 -18.984 -9.893 266 HG13 VAL 33 3HG1 VAL 33 -6.979 -20.402 -8.873 267 HG21 VAL 33 3HG2 VAL 33 -7.571 -17.677 -6.728 268 HG22 VAL 33 1HG2 VAL 33 -8.023 -17.987 -8.404 269 HG23 VAL 33 2HG2 VAL 33 -6.844 -16.731 -8.025 270 H LEU 34 H LEU 34 -3.586 -19.354 -6.323 271 HA LEU 34 HA LEU 34 -2.478 -21.437 -7.699 272 HB2 LEU 34 2HB LEU 34 -1.600 -19.995 -5.249 273 HB3 LEU 34 1HB LEU 34 -0.640 -21.330 -5.861 274 HG LEU 34 HG LEU 34 -1.530 -19.174 -7.755 275 HD11 LEU 34 1HD1 LEU 34 0.941 -18.306 -7.124 276 HD12 LEU 34 2HD1 LEU 34 0.455 -18.929 -5.548 277 HD13 LEU 34 3HD1 LEU 34 -0.507 -17.682 -6.336 278 HD21 LEU 34 3HD2 LEU 34 -0.189 -21.485 -8.139 279 HD22 LEU 34 1HD2 LEU 34 1.172 -20.435 -7.751 280 HD23 LEU 34 2HD2 LEU 34 0.116 -20.047 -9.109 281 H PHE 35 H PHE 35 -3.913 -21.477 -4.546 282 HA PHE 35 HA PHE 35 -3.580 -24.444 -4.499 283 HB2 PHE 35 2HB PHE 35 -3.636 -22.498 -2.179 284 HB3 PHE 35 1HB PHE 35 -3.714 -24.252 -2.001 285 HD1 PHE 35 2HD PHE 35 -1.625 -21.476 -3.357 286 HD2 PHE 35 1HD PHE 35 -1.756 -25.583 -2.104 287 HE1 PHE 35 2HE PHE 35 0.847 -21.607 -3.525 288 HE2 PHE 35 1HE PHE 35 0.715 -25.714 -2.274 289 HZ PHE 35 HZ PHE 35 2.017 -23.726 -2.984 290 H ILE 36 H ILE 36 -5.614 -24.241 -5.811 291 HA ILE 36 HA ILE 36 -7.995 -23.639 -5.809 292 HB ILE 36 HB ILE 36 -7.702 -26.249 -4.317 293 HG12 ILE 36 2HG1 ILE 36 -6.093 -26.329 -6.114 294 HG13 ILE 36 1HG1 ILE 36 -7.505 -27.238 -6.651 295 HG21 ILE 36 1HG2 ILE 36 -9.939 -24.918 -5.210 296 HG22 ILE 36 2HG2 ILE 36 -9.844 -26.663 -4.986 297 HG23 ILE 36 3HG2 ILE 36 -9.573 -25.963 -6.579 298 HD11 ILE 36 3HD1 ILE 36 -8.290 -24.986 -7.686 299 HD12 ILE 36 1HD1 ILE 36 -6.997 -25.863 -8.500 300 HD13 ILE 36 2HD1 ILE 36 -6.614 -24.477 -7.478 301 H ALA 37 H ALA 37 -7.654 -21.864 -4.133 302 HA ALA 37 HA ALA 37 -7.956 -22.064 -1.444 303 HB1 ALA 37 1HB ALA 37 -8.514 -20.061 -3.409 304 HB2 ALA 37 2HB ALA 37 -8.086 -19.844 -1.709 305 HB3 ALA 37 3HB ALA 37 -9.775 -20.026 -2.184 306 HA PRO 38 HA PRO 38 -11.687 -23.881 -0.000 307 HB2 PRO 38 2HB PRO 38 -12.659 -21.153 0.742 308 HB3 PRO 38 1HB PRO 38 -12.589 -22.632 1.719 309 HG2 PRO 38 2HG PRO 38 -10.802 -20.608 1.950 310 HG3 PRO 38 1HG PRO 38 -10.435 -22.297 2.321 311 HD2 PRO 38 2HD PRO 38 -9.437 -20.653 0.117 312 HD3 PRO 38 1HD PRO 38 -8.871 -22.243 0.681 313 H ARG 39 H ARG 39 -13.542 -24.492 -1.004 314 HA ARG 39 HA ARG 39 -14.437 -22.941 -3.307 315 HB2 ARG 39 2HB ARG 39 -15.217 -25.676 -2.269 316 HB3 ARG 39 1HB ARG 39 -15.879 -24.941 -3.731 317 HG2 ARG 39 2HG ARG 39 -13.546 -24.714 -4.608 318 HG3 ARG 39 1HG ARG 39 -12.972 -25.613 -3.202 319 HD2 ARG 39 2HD ARG 39 -14.806 -26.587 -5.398 320 HD3 ARG 39 1HD ARG 39 -13.226 -27.224 -4.951 321 HE ARG 39 HE ARG 39 -15.739 -27.870 -3.714 322 HH11 ARG 39 1HH2 ARG 39 -12.337 -27.472 -3.217 323 HH12 ARG 39 2HH2 ARG 39 -12.266 -28.563 -1.872 324 HH21 ARG 39 1HH1 ARG 39 -15.653 -29.301 -1.952 325 HH22 ARG 39 2HH1 ARG 39 -14.143 -29.598 -1.157 326 H GLU 40 H GLU 40 -16.285 -21.808 -3.423 327 HA GLU 40 HA GLU 40 -17.962 -21.761 -1.029 328 HB2 GLU 40 2HB GLU 40 -17.285 -19.656 -2.990 329 HB3 GLU 40 1HB GLU 40 -18.733 -19.530 -1.991 330 HG2 GLU 40 2HG GLU 40 -16.029 -20.153 -0.799 331 HG3 GLU 40 1HG GLU 40 -16.574 -18.495 -1.045 332 HA PRO 41 HA PRO 41 -20.877 -23.951 -3.804 333 HB2 PRO 41 2HB PRO 41 -22.655 -23.253 -1.502 334 HB3 PRO 41 1HB PRO 41 -22.444 -24.806 -2.331 335 HG2 PRO 41 2HG PRO 41 -21.377 -24.350 0.065 336 HG3 PRO 41 1HG PRO 41 -20.545 -25.329 -1.155 337 HD2 PRO 41 2HD PRO 41 -19.959 -22.581 -0.228 338 HD3 PRO 41 1HD PRO 41 -18.862 -23.837 -0.875 339 H GLY 42 H GLY 42 -23.519 -23.300 -3.931 340 HA2 GLY 42 2HA GLY 42 -25.070 -21.727 -4.623 341 HA3 GLY 42 1HA GLY 42 -23.980 -20.464 -4.057 342 H ALA 43 H ALA 43 -21.795 -20.572 -5.478 343 HA ALA 43 HA ALA 43 -21.857 -21.261 -8.172 344 HB1 ALA 43 1HB ALA 43 -23.331 -18.776 -7.523 345 HB2 ALA 43 2HB ALA 43 -23.510 -19.870 -8.893 346 HB3 ALA 43 3HB ALA 43 -22.215 -18.675 -8.883 347 H VAL 44 H VAL 44 -20.253 -20.509 -5.645 348 HA VAL 44 HA VAL 44 -18.164 -19.682 -5.146 349 HB VAL 44 HB VAL 44 -17.798 -20.116 -8.120 350 HG11 VAL 44 1HG1 VAL 44 -15.353 -20.457 -7.170 351 HG12 VAL 44 2HG1 VAL 44 -15.936 -19.404 -5.879 352 HG13 VAL 44 3HG1 VAL 44 -15.940 -18.837 -7.550 353 HG21 VAL 44 3HG2 VAL 44 -17.585 -21.870 -5.680 354 HG22 VAL 44 1HG2 VAL 44 -16.580 -22.197 -7.090 355 HG23 VAL 44 2HG2 VAL 44 -18.337 -22.221 -7.237 356 H SER 45 H SER 45 -18.851 -17.597 -4.550 357 HA SER 45 HA SER 45 -19.066 -15.305 -4.715 358 HB2 SER 45 2HB SER 45 -16.596 -15.915 -6.331 359 HB3 SER 45 1HB SER 45 -17.127 -14.263 -6.028 360 HG SER 45 HG SER 45 -17.267 -15.349 -3.718 361 H TYR 46 H TYR 46 -18.720 -13.444 -6.606 362 HA TYR 46 HA TYR 46 -20.780 -14.150 -8.571 363 HB2 TYR 46 2HB TYR 46 -19.936 -11.414 -8.747 364 HB3 TYR 46 1HB TYR 46 -21.494 -12.055 -8.227 365 HD1 TYR 46 2HD TYR 46 -21.610 -13.011 -5.799 366 HD2 TYR 46 1HD TYR 46 -18.540 -10.347 -7.192 367 HE1 TYR 46 2HE TYR 46 -21.088 -12.387 -3.456 368 HE2 TYR 46 1HE TYR 46 -18.020 -9.723 -4.850 369 HH TYR 46 HH TYR 46 -20.053 -10.660 -2.203 Start of MODEL 19 1 H ALA 1 1HT ALA 1 -3.910 28.059 10.753 2 HA ALA 1 HA ALA 1 -4.222 27.032 8.837 3 HB1 ALA 1 2HB ALA 1 -2.774 27.682 7.229 4 HB2 ALA 1 3HB ALA 1 -1.449 26.769 7.950 5 HB3 ALA 1 1HB ALA 1 -1.817 28.395 8.526 6 H SER 2 H SER 2 -2.195 25.732 11.193 7 HA SER 2 HA SER 2 -1.224 23.355 10.230 8 HB2 SER 2 2HB SER 2 -1.225 22.563 12.449 9 HB3 SER 2 1HB SER 2 -1.143 24.314 12.623 10 HG SER 2 HG SER 2 -3.104 24.327 13.423 11 H LYS 3 H LYS 3 -4.549 24.150 11.050 12 HA LYS 3 HA LYS 3 -5.677 21.590 10.957 13 HB2 LYS 3 2HB LYS 3 -7.781 22.874 10.220 14 HB3 LYS 3 1HB LYS 3 -7.066 23.317 11.770 15 HG2 LYS 3 2HG LYS 3 -5.921 25.216 10.743 16 HG3 LYS 3 1HG LYS 3 -6.518 24.746 9.152 17 HD2 LYS 3 2HD LYS 3 -8.540 25.126 11.305 18 HD3 LYS 3 1HD LYS 3 -7.769 26.575 10.660 19 HE2 LYS 3 2HE LYS 3 -8.959 24.452 8.869 20 HE3 LYS 3 1HE LYS 3 -9.902 25.814 9.470 21 HZ1 LYS 3 3HZ LYS 3 -9.039 26.446 7.384 22 HZ2 LYS 3 1HZ LYS 3 -7.481 25.900 7.765 23 HZ3 LYS 3 2HZ LYS 3 -8.111 27.273 8.542 24 H GLU 4 H GLU 4 -4.937 23.877 8.373 25 HA GLU 4 HA GLU 4 -6.213 22.409 6.293 26 HB2 GLU 4 2HB GLU 4 -4.510 24.779 6.522 27 HB3 GLU 4 1HB GLU 4 -4.201 23.843 5.060 28 HG2 GLU 4 2HG GLU 4 -6.613 23.881 4.529 29 HG3 GLU 4 1HG GLU 4 -6.916 24.823 5.988 30 H LEU 5 H LEU 5 -2.848 22.596 7.422 31 HA LEU 5 HA LEU 5 -1.775 20.819 5.512 32 HB2 LEU 5 2HB LEU 5 -0.896 21.755 8.231 33 HB3 LEU 5 1HB LEU 5 0.015 20.505 7.388 34 HG LEU 5 HG LEU 5 0.856 22.845 6.958 35 HD11 LEU 5 1HD1 LEU 5 1.503 22.243 4.853 36 HD12 LEU 5 2HD1 LEU 5 -0.156 22.013 4.306 37 HD13 LEU 5 3HD1 LEU 5 0.655 20.739 5.213 38 HD21 LEU 5 3HD2 LEU 5 -0.463 24.408 5.750 39 HD22 LEU 5 1HD2 LEU 5 -1.560 23.758 6.968 40 HD23 LEU 5 2HD2 LEU 5 -1.652 23.184 5.303 41 H GLU 6 H GLU 6 -3.455 20.305 8.518 42 HA GLU 6 HA GLU 6 -2.724 17.575 8.878 43 HB2 GLU 6 2HB GLU 6 -4.858 19.375 9.965 44 HB3 GLU 6 1HB GLU 6 -4.984 17.633 10.224 45 HG2 GLU 6 2HG GLU 6 -2.380 19.019 10.782 46 HG3 GLU 6 1HG GLU 6 -3.683 19.123 11.964 47 H LEU 7 H LEU 7 -5.431 19.208 7.275 48 HA LEU 7 HA LEU 7 -6.940 16.910 6.658 49 HB2 LEU 7 2HB LEU 7 -6.767 19.682 5.536 50 HB3 LEU 7 1HB LEU 7 -7.704 18.458 4.677 51 HG LEU 7 HG LEU 7 -8.112 18.731 7.628 52 HD11 LEU 7 1HD1 LEU 7 -9.181 20.634 5.526 53 HD12 LEU 7 2HD1 LEU 7 -8.215 21.047 6.942 54 HD13 LEU 7 3HD1 LEU 7 -9.871 20.473 7.141 55 HD21 LEU 7 3HD2 LEU 7 -9.955 18.194 5.276 56 HD22 LEU 7 1HD2 LEU 7 -10.408 18.104 6.975 57 HD23 LEU 7 2HD2 LEU 7 -9.242 16.962 6.314 58 H ILE 8 H ILE 8 -4.332 18.553 4.922 59 HA ILE 8 HA ILE 8 -4.455 16.981 2.569 60 HB ILE 8 HB ILE 8 -2.076 18.398 3.800 61 HG12 ILE 8 2HG1 ILE 8 -3.953 19.922 3.428 62 HG13 ILE 8 1HG1 ILE 8 -2.694 20.233 2.237 63 HG21 ILE 8 1HG2 ILE 8 -1.788 18.474 1.070 64 HG22 ILE 8 2HG2 ILE 8 -2.482 16.873 1.318 65 HG23 ILE 8 3HG2 ILE 8 -0.981 17.318 2.129 66 HD11 ILE 8 3HD1 ILE 8 -4.562 20.171 0.862 67 HD12 ILE 8 1HD1 ILE 8 -5.398 19.002 1.877 68 HD13 ILE 8 2HD1 ILE 8 -4.105 18.471 0.809 69 H THR 9 H THR 9 -2.634 16.627 5.573 70 HA THR 9 HA THR 9 -1.110 14.380 4.768 71 HB THR 9 HB THR 9 -2.023 15.085 7.566 72 HG1 THR 9 1HG THR 9 0.244 16.010 7.432 73 HG21 THR 9 3HG2 THR 9 -1.047 12.859 7.403 74 HG22 THR 9 1HG2 THR 9 0.110 13.941 8.177 75 HG23 THR 9 2HG2 THR 9 0.317 13.492 6.484 76 H LEU 10 H LEU 10 -4.220 14.662 6.468 77 HA LEU 10 HA LEU 10 -4.673 11.966 7.001 78 HB2 LEU 10 2HB LEU 10 -6.219 14.401 6.963 79 HB3 LEU 10 1HB LEU 10 -7.166 13.073 6.292 80 HG LEU 10 HG LEU 10 -5.644 12.866 8.903 81 HD11 LEU 10 1HD1 LEU 10 -7.760 13.243 10.036 82 HD12 LEU 10 2HD1 LEU 10 -8.599 13.400 8.492 83 HD13 LEU 10 3HD1 LEU 10 -7.426 14.621 8.985 84 HD21 LEU 10 3HD2 LEU 10 -8.010 11.204 8.459 85 HD22 LEU 10 1HD2 LEU 10 -6.382 10.724 8.940 86 HD23 LEU 10 2HD2 LEU 10 -6.770 10.939 7.232 87 H THR 11 H THR 11 -5.304 13.831 4.059 88 HA THR 11 HA THR 11 -6.626 11.725 2.663 89 HB THR 11 HB THR 11 -5.217 14.221 1.700 90 HG1 THR 11 1HG THR 11 -7.028 14.943 2.493 91 HG21 THR 11 3HG2 THR 11 -5.151 12.962 -0.236 92 HG22 THR 11 1HG2 THR 11 -6.788 13.609 -0.356 93 HG23 THR 11 2HG2 THR 11 -6.529 11.969 0.238 94 H VAL 12 H VAL 12 -3.275 12.914 2.679 95 HA VAL 12 HA VAL 12 -2.205 11.262 0.708 96 HB VAL 12 HB VAL 12 -0.891 12.197 3.272 97 HG11 VAL 12 1HG1 VAL 12 0.837 10.934 2.553 98 HG12 VAL 12 2HG1 VAL 12 0.976 12.054 1.198 99 HG13 VAL 12 3HG1 VAL 12 0.024 10.579 1.028 100 HG21 VAL 12 3HG2 VAL 12 -0.216 13.568 0.788 101 HG22 VAL 12 1HG2 VAL 12 -0.747 14.245 2.328 102 HG23 VAL 12 2HG2 VAL 12 -1.938 13.690 1.153 103 H GLY 13 H GLY 13 -2.733 10.621 4.155 104 HA2 GLY 13 2HA GLY 13 -1.485 8.073 4.212 105 HA3 GLY 13 1HA GLY 13 -2.660 8.671 5.380 106 H PHE 14 H PHE 14 -4.881 9.063 3.802 107 HA PHE 14 HA PHE 14 -6.011 6.499 3.661 108 HB2 PHE 14 2HB PHE 14 -7.345 8.557 3.885 109 HB3 PHE 14 1HB PHE 14 -6.898 9.023 2.245 110 HD1 PHE 14 2HD PHE 14 -8.410 6.166 4.144 111 HD2 PHE 14 1HD PHE 14 -8.253 8.361 0.455 112 HE1 PHE 14 2HE PHE 14 -10.269 4.790 3.246 113 HE2 PHE 14 1HE PHE 14 -10.113 6.989 -0.441 114 HZ PHE 14 HZ PHE 14 -11.119 5.200 0.952 115 H GLY 15 H GLY 15 -4.667 8.578 1.116 116 HA2 GLY 15 2HA GLY 15 -5.320 7.001 -1.106 117 HA3 GLY 15 1HA GLY 15 -3.946 8.100 -1.017 118 H ILE 16 H ILE 16 -2.431 6.940 0.971 119 HA ILE 16 HA ILE 16 -1.062 4.899 -0.429 120 HB ILE 16 HB ILE 16 -0.899 5.714 2.482 121 HG12 ILE 16 2HG1 ILE 16 1.003 6.388 0.233 122 HG13 ILE 16 1HG1 ILE 16 -0.388 7.409 0.599 123 HG21 ILE 16 1HG2 ILE 16 0.441 3.627 0.889 124 HG22 ILE 16 2HG2 ILE 16 0.311 3.797 2.640 125 HG23 ILE 16 3HG2 ILE 16 1.547 4.694 1.756 126 HD11 ILE 16 3HD1 ILE 16 0.419 7.945 2.750 127 HD12 ILE 16 1HD1 ILE 16 1.869 7.981 1.745 128 HD13 ILE 16 2HD1 ILE 16 1.538 6.582 2.767 129 H LEU 17 H LEU 17 -3.376 4.831 2.244 130 HA LEU 17 HA LEU 17 -3.175 2.121 2.895 131 HB2 LEU 17 2HB LEU 17 -4.899 4.308 3.541 132 HB3 LEU 17 1HB LEU 17 -5.911 2.931 3.107 133 HG LEU 17 HG LEU 17 -5.399 2.904 5.515 134 HD11 LEU 17 1HD1 LEU 17 -5.025 0.801 3.677 135 HD12 LEU 17 2HD1 LEU 17 -5.358 0.651 5.404 136 HD13 LEU 17 3HD1 LEU 17 -3.694 0.666 4.823 137 HD21 LEU 17 3HD2 LEU 17 -2.557 2.224 5.149 138 HD22 LEU 17 1HD2 LEU 17 -3.313 3.273 6.348 139 HD23 LEU 17 2HD2 LEU 17 -2.940 3.895 4.742 140 H ILE 18 H ILE 18 -5.086 3.755 0.423 141 HA ILE 18 HA ILE 18 -6.589 1.507 -0.423 142 HB ILE 18 HB ILE 18 -5.677 3.938 -1.976 143 HG12 ILE 18 2HG1 ILE 18 -8.391 3.365 -0.764 144 HG13 ILE 18 1HG1 ILE 18 -7.129 4.211 0.130 145 HG21 ILE 18 1HG2 ILE 18 -7.931 3.201 -3.206 146 HG22 ILE 18 2HG2 ILE 18 -7.434 1.608 -2.634 147 HG23 ILE 18 3HG2 ILE 18 -6.369 2.540 -3.686 148 HD11 ILE 18 3HD1 ILE 18 -7.443 5.296 -2.553 149 HD12 ILE 18 1HD1 ILE 18 -7.495 6.126 -0.999 150 HD13 ILE 18 2HD1 ILE 18 -8.950 5.366 -1.642 151 H PHE 19 H PHE 19 -3.585 2.918 -1.732 152 HA PHE 19 HA PHE 19 -3.122 1.043 -3.756 153 HB2 PHE 19 2HB PHE 19 -1.791 3.030 -3.693 154 HB3 PHE 19 1HB PHE 19 -1.198 2.654 -2.075 155 HD1 PHE 19 1HD PHE 19 -1.424 0.980 -5.433 156 HD2 PHE 19 2HD PHE 19 0.947 1.755 -1.936 157 HE1 PHE 19 1HE PHE 19 0.452 -0.304 -6.421 158 HE2 PHE 19 2HE PHE 19 2.823 0.471 -2.923 159 HZ PHE 19 HZ PHE 19 2.575 -0.559 -5.166 160 H SER 20 H SER 20 -2.113 0.990 -0.348 161 HA SER 20 HA SER 20 -0.620 -1.401 -0.465 162 HB2 SER 20 2HB SER 20 -1.024 0.448 1.452 163 HB3 SER 20 1HB SER 20 -2.120 -0.806 2.026 164 HG SER 20 HG SER 20 -0.454 -2.174 2.248 165 H LEU 21 H LEU 21 -4.040 -0.789 0.259 166 HA LEU 21 HA LEU 21 -4.796 -3.373 0.975 167 HB2 LEU 21 2HB LEU 21 -6.249 -1.357 1.160 168 HB3 LEU 21 1HB LEU 21 -6.424 -1.360 -0.594 169 HG LEU 21 HG LEU 21 -7.373 -3.680 -0.458 170 HD11 LEU 21 1HD1 LEU 21 -6.762 -3.209 2.431 171 HD12 LEU 21 2HD1 LEU 21 -6.666 -4.695 1.489 172 HD13 LEU 21 3HD1 LEU 21 -8.231 -4.102 2.040 173 HD21 LEU 21 3HD2 LEU 21 -9.424 -2.763 -0.305 174 HD22 LEU 21 1HD2 LEU 21 -8.619 -1.249 0.110 175 HD23 LEU 21 2HD2 LEU 21 -9.180 -2.326 1.386 176 H ILE 22 H ILE 22 -4.913 -1.845 -2.248 177 HA ILE 22 HA ILE 22 -5.833 -4.065 -3.676 178 HB ILE 22 HB ILE 22 -3.960 -1.875 -4.609 179 HG12 ILE 22 2HG1 ILE 22 -6.958 -2.064 -4.967 180 HG13 ILE 22 1HG1 ILE 22 -6.233 -1.242 -3.585 181 HG21 ILE 22 1HG2 ILE 22 -5.467 -4.067 -5.994 182 HG22 ILE 22 2HG2 ILE 22 -3.856 -3.435 -6.330 183 HG23 ILE 22 3HG2 ILE 22 -5.281 -2.516 -6.810 184 HD11 ILE 22 3HD1 ILE 22 -5.169 0.373 -4.962 185 HD12 ILE 22 1HD1 ILE 22 -6.791 0.210 -5.638 186 HD13 ILE 22 2HD1 ILE 22 -5.425 -0.585 -6.420 187 H VAL 23 H VAL 23 -2.584 -3.185 -2.669 188 HA VAL 23 HA VAL 23 -1.172 -5.076 -4.220 189 HB VAL 23 HB VAL 23 -0.424 -3.871 -1.544 190 HG11 VAL 23 1HG1 VAL 23 0.969 -5.627 -3.500 191 HG12 VAL 23 2HG1 VAL 23 1.181 -5.494 -1.756 192 HG13 VAL 23 3HG1 VAL 23 1.906 -4.295 -2.825 193 HG21 VAL 23 3HG2 VAL 23 -0.862 -2.596 -3.983 194 HG22 VAL 23 1HG2 VAL 23 0.884 -2.852 -3.951 195 HG23 VAL 23 2HG2 VAL 23 0.099 -1.964 -2.645 196 H THR 24 H THR 24 -2.233 -5.169 -0.818 197 HA THR 24 HA THR 24 -1.387 -7.835 -0.344 198 HB THR 24 HB THR 24 -3.568 -6.264 1.050 199 HG1 THR 24 1HG THR 24 -1.739 -5.947 2.539 200 HG21 THR 24 3HG2 THR 24 -3.703 -8.610 1.608 201 HG22 THR 24 1HG2 THR 24 -2.931 -7.779 2.960 202 HG23 THR 24 2HG2 THR 24 -1.956 -8.707 1.821 203 H TYR 25 H TYR 25 -4.294 -6.422 -1.689 204 HA TYR 25 HA TYR 25 -6.027 -8.638 -1.444 205 HB2 TYR 25 2HB TYR 25 -6.757 -6.362 -2.108 206 HB3 TYR 25 1HB TYR 25 -5.948 -6.577 -3.661 207 HD1 TYR 25 2HD TYR 25 -8.508 -8.160 -1.437 208 HD2 TYR 25 1HD TYR 25 -7.083 -7.598 -5.450 209 HE1 TYR 25 2HE TYR 25 -10.507 -9.339 -2.311 210 HE2 TYR 25 1HE TYR 25 -9.082 -8.776 -6.324 211 HH TYR 25 HH TYR 25 -10.874 -10.004 -5.782 212 H CYS 26 H CYS 26 -3.670 -7.765 -3.944 213 HA CYS 26 HA CYS 26 -4.313 -9.931 -5.692 214 HB2 CYS 26 2HB CYS 26 -1.926 -8.097 -5.454 215 HB3 CYS 26 1HB CYS 26 -2.019 -9.374 -6.667 216 HG CYS 26 HG CYS 26 -4.332 -7.292 -6.552 217 H ILE 27 H ILE 27 -1.800 -9.420 -3.235 218 HA ILE 27 HA ILE 27 -0.297 -11.717 -3.566 219 HB ILE 27 HB ILE 27 -1.082 -10.307 -1.007 220 HG12 ILE 27 2HG1 ILE 27 1.488 -10.203 -2.616 221 HG13 ILE 27 1HG1 ILE 27 0.186 -9.027 -2.792 222 HG21 ILE 27 1HG2 ILE 27 0.613 -12.686 -1.560 223 HG22 ILE 27 2HG2 ILE 27 -0.252 -12.240 -0.091 224 HG23 ILE 27 3HG2 ILE 27 1.297 -11.487 -0.463 225 HD11 ILE 27 3HD1 ILE 27 0.883 -7.913 -0.963 226 HD12 ILE 27 1HD1 ILE 27 2.275 -8.993 -0.888 227 HD13 ILE 27 2HD1 ILE 27 0.806 -9.384 0.006 228 H ASN 28 H ASN 28 -3.327 -11.307 -1.759 229 HA ASN 28 HA ASN 28 -3.443 -13.970 -0.768 230 HB2 ASN 28 2HB ASN 28 -5.617 -11.917 -1.235 231 HB3 ASN 28 1HB ASN 28 -5.857 -13.444 -0.387 232 HD21 ASN 28 1HD2 ASN 28 -5.898 -13.009 1.824 233 HD22 ASN 28 2HD2 ASN 28 -4.830 -11.962 2.627 234 H ALA 29 H ALA 29 -4.913 -12.377 -3.590 235 HA ALA 29 HA ALA 29 -6.399 -14.548 -4.548 236 HB1 ALA 29 1HB ALA 29 -6.810 -13.229 -6.353 237 HB2 ALA 29 2HB ALA 29 -5.105 -12.839 -6.585 238 HB3 ALA 29 3HB ALA 29 -6.046 -11.987 -5.361 239 H LYS 30 H LYS 30 -3.005 -13.699 -5.010 240 HA LYS 30 HA LYS 30 -2.483 -15.770 -6.918 241 HB2 LYS 30 2HB LYS 30 -0.634 -14.113 -5.192 242 HB3 LYS 30 1HB LYS 30 -0.088 -15.227 -6.446 243 HG2 LYS 30 2HG LYS 30 -1.503 -13.959 -8.094 244 HG3 LYS 30 1HG LYS 30 -1.831 -12.777 -6.826 245 HD2 LYS 30 2HD LYS 30 0.519 -12.229 -6.637 246 HD3 LYS 30 1HD LYS 30 0.958 -13.539 -7.736 247 HE2 LYS 30 2HE LYS 30 -0.201 -12.445 -9.578 248 HE3 LYS 30 1HE LYS 30 -0.791 -11.183 -8.497 249 HZ1 LYS 30 3HZ LYS 30 1.287 -10.711 -9.883 250 HZ2 LYS 30 1HZ LYS 30 2.098 -11.710 -8.779 251 HZ3 LYS 30 2HZ LYS 30 1.320 -10.301 -8.234 252 H ALA 31 H ALA 31 -1.880 -15.395 -3.447 253 HA ALA 31 HA ALA 31 -0.518 -17.751 -2.932 254 HB1 ALA 31 1HB ALA 31 -0.906 -16.010 -1.234 255 HB2 ALA 31 2HB ALA 31 -1.402 -17.596 -0.644 256 HB3 ALA 31 3HB ALA 31 -2.617 -16.439 -1.187 257 H ASP 32 H ASP 32 -3.965 -17.232 -3.408 258 HA ASP 32 HA ASP 32 -4.951 -19.694 -2.536 259 HB2 ASP 32 2HB ASP 32 -5.877 -17.833 -4.723 260 HB3 ASP 32 1HB ASP 32 -6.771 -19.282 -4.266 261 H VAL 33 H VAL 33 -2.961 -18.958 -5.228 262 HA VAL 33 HA VAL 33 -3.639 -21.433 -6.627 263 HB VAL 33 HB VAL 33 -1.682 -19.241 -7.343 264 HG11 VAL 33 1HG1 VAL 33 -0.894 -21.022 -8.588 265 HG12 VAL 33 2HG1 VAL 33 -2.181 -20.473 -9.661 266 HG13 VAL 33 3HG1 VAL 33 -2.452 -21.848 -8.590 267 HG21 VAL 33 3HG2 VAL 33 -3.370 -18.447 -8.853 268 HG22 VAL 33 1HG2 VAL 33 -4.169 -18.669 -7.297 269 HG23 VAL 33 2HG2 VAL 33 -4.378 -19.866 -8.574 270 H LEU 34 H LEU 34 -1.682 -20.527 -4.124 271 HA LEU 34 HA LEU 34 0.410 -22.484 -4.798 272 HB2 LEU 34 2HB LEU 34 0.375 -20.054 -3.037 273 HB3 LEU 34 1HB LEU 34 1.556 -21.333 -2.770 274 HG LEU 34 HG LEU 34 2.320 -21.130 -5.105 275 HD11 LEU 34 1HD1 LEU 34 0.590 -20.391 -6.436 276 HD12 LEU 34 2HD1 LEU 34 1.407 -18.854 -6.174 277 HD13 LEU 34 3HD1 LEU 34 -0.014 -19.269 -5.219 278 HD21 LEU 34 3HD2 LEU 34 3.491 -19.050 -4.858 279 HD22 LEU 34 1HD2 LEU 34 3.248 -19.678 -3.228 280 HD23 LEU 34 2HD2 LEU 34 2.217 -18.382 -3.836 281 H PHE 35 H PHE 35 -2.340 -22.030 -2.963 282 HA PHE 35 HA PHE 35 -1.503 -24.005 -0.936 283 HB2 PHE 35 2HB PHE 35 -3.689 -21.940 -1.004 284 HB3 PHE 35 1HB PHE 35 -3.755 -23.295 0.123 285 HD1 PHE 35 2HD PHE 35 -1.101 -20.934 -1.135 286 HD2 PHE 35 1HD PHE 35 -2.963 -22.799 2.256 287 HE1 PHE 35 2HE PHE 35 0.473 -19.762 0.368 288 HE2 PHE 35 1HE PHE 35 -1.384 -21.625 3.764 289 HZ PHE 35 HZ PHE 35 0.335 -20.107 2.820 290 H ILE 36 H ILE 36 -1.656 -25.710 -2.552 291 HA ILE 36 HA ILE 36 -2.780 -27.300 -3.822 292 HB ILE 36 HB ILE 36 -4.357 -27.232 -1.235 293 HG12 ILE 36 2HG1 ILE 36 -2.779 -29.102 -0.652 294 HG13 ILE 36 1HG1 ILE 36 -1.884 -28.754 -2.126 295 HG21 ILE 36 1HG2 ILE 36 -4.548 -28.882 -3.638 296 HG22 ILE 36 2HG2 ILE 36 -5.656 -28.750 -2.272 297 HG23 ILE 36 3HG2 ILE 36 -4.267 -29.834 -2.179 298 HD11 ILE 36 3HD1 ILE 36 -0.989 -26.818 -1.286 299 HD12 ILE 36 1HD1 ILE 36 -1.244 -27.655 0.244 300 HD13 ILE 36 2HD1 ILE 36 -2.410 -26.453 -0.309 301 H ALA 37 H ALA 37 -3.597 -24.819 -4.663 302 HA ALA 37 HA ALA 37 -6.187 -24.036 -4.604 303 HB1 ALA 37 1HB ALA 37 -5.479 -24.136 -7.376 304 HB2 ALA 37 2HB ALA 37 -4.042 -23.735 -6.437 305 HB3 ALA 37 3HB ALA 37 -5.492 -22.747 -6.292 306 HA PRO 38 HA PRO 38 -8.757 -27.237 -6.216 307 HB2 PRO 38 2HB PRO 38 -10.626 -25.868 -7.650 308 HB3 PRO 38 1HB PRO 38 -10.550 -25.842 -5.880 309 HG2 PRO 38 2HG PRO 38 -9.622 -23.811 -7.838 310 HG3 PRO 38 1HG PRO 38 -10.378 -23.595 -6.251 311 HD2 PRO 38 2HD PRO 38 -7.679 -23.338 -6.721 312 HD3 PRO 38 1HD PRO 38 -8.386 -23.735 -5.140 313 H ARG 39 H ARG 39 -9.500 -25.356 -8.979 314 HA ARG 39 HA ARG 39 -7.834 -27.096 -10.696 315 HB2 ARG 39 2HB ARG 39 -10.690 -26.216 -11.170 316 HB3 ARG 39 1HB ARG 39 -9.686 -27.056 -12.353 317 HG2 ARG 39 2HG ARG 39 -9.376 -28.901 -10.658 318 HG3 ARG 39 1HG ARG 39 -10.579 -28.094 -9.650 319 HD2 ARG 39 2HD ARG 39 -11.756 -28.202 -12.183 320 HD3 ARG 39 1HD ARG 39 -10.969 -29.767 -12.000 321 HE ARG 39 HE ARG 39 -12.367 -29.172 -9.621 322 HH11 ARG 39 1HH2 ARG 39 -12.892 -29.914 -12.960 323 HH12 ARG 39 2HH2 ARG 39 -14.426 -30.672 -12.693 324 HH21 ARG 39 1HH1 ARG 39 -14.378 -30.165 -9.263 325 HH22 ARG 39 2HH1 ARG 39 -15.268 -30.814 -10.601 326 H GLU 40 H GLU 40 -7.336 -26.199 -12.810 327 HA GLU 40 HA GLU 40 -6.218 -23.697 -12.722 328 HB2 GLU 40 2HB GLU 40 -6.954 -25.583 -14.882 329 HB3 GLU 40 1HB GLU 40 -6.672 -23.916 -15.382 330 HG2 GLU 40 2HG GLU 40 -4.591 -25.284 -15.431 331 HG3 GLU 40 1HG GLU 40 -4.473 -23.931 -14.307 332 HA PRO 41 HA PRO 41 -9.497 -20.778 -13.215 333 HB2 PRO 41 2HB PRO 41 -8.288 -18.869 -14.780 334 HB3 PRO 41 1HB PRO 41 -7.950 -19.086 -13.054 335 HG2 PRO 41 2HG PRO 41 -6.391 -19.999 -15.416 336 HG3 PRO 41 1HG PRO 41 -5.824 -19.351 -13.868 337 HD2 PRO 41 2HD PRO 41 -5.793 -22.005 -14.449 338 HD3 PRO 41 1HD PRO 41 -5.990 -21.382 -12.799 339 H GLY 42 H GLY 42 -9.275 -23.003 -15.235 340 HA2 GLY 42 2HA GLY 42 -10.701 -23.571 -16.997 341 HA3 GLY 42 1HA GLY 42 -11.096 -21.865 -17.196 342 H ALA 43 H ALA 43 -8.011 -23.657 -17.252 343 HA ALA 43 HA ALA 43 -7.305 -22.252 -19.734 344 HB1 ALA 43 1HB ALA 43 -5.775 -23.590 -17.550 345 HB2 ALA 43 2HB ALA 43 -5.480 -22.044 -18.346 346 HB3 ALA 43 3HB ALA 43 -5.058 -23.550 -19.161 347 H VAL 44 H VAL 44 -7.095 -23.259 -21.653 348 HA VAL 44 HA VAL 44 -7.595 -26.175 -21.717 349 HB VAL 44 HB VAL 44 -8.109 -24.095 -23.854 350 HG11 VAL 44 1HG1 VAL 44 -7.628 -26.210 -24.887 351 HG12 VAL 44 2HG1 VAL 44 -9.383 -26.038 -24.880 352 HG13 VAL 44 3HG1 VAL 44 -8.595 -27.080 -23.696 353 HG21 VAL 44 3HG2 VAL 44 -10.515 -25.236 -23.168 354 HG22 VAL 44 1HG2 VAL 44 -9.932 -23.691 -22.550 355 HG23 VAL 44 2HG2 VAL 44 -9.697 -25.162 -21.607 356 H SER 45 H SER 45 -5.859 -27.353 -22.144 357 HA SER 45 HA SER 45 -3.617 -26.139 -23.610 358 HB2 SER 45 2HB SER 45 -2.372 -28.168 -22.813 359 HB3 SER 45 1HB SER 45 -2.986 -27.147 -21.515 360 HG SER 45 HG SER 45 -4.862 -28.915 -22.235 361 H TYR 46 H TYR 46 -5.300 -26.402 -25.484 362 HA TYR 46 HA TYR 46 -4.452 -28.750 -26.992 363 HB2 TYR 46 2HB TYR 46 -6.426 -29.689 -26.091 364 HB3 TYR 46 1HB TYR 46 -7.321 -28.179 -26.264 365 HD1 TYR 46 1HD TYR 46 -5.582 -30.831 -28.244 366 HD2 TYR 46 2HD TYR 46 -8.561 -27.737 -28.218 367 HE1 TYR 46 1HE TYR 46 -6.327 -31.529 -30.505 368 HE2 TYR 46 2HE TYR 46 -9.306 -28.434 -30.477 369 HH TYR 46 HH TYR 46 -8.333 -29.630 -32.445 Start of MODEL 20 1 H ALA 1 1HT ALA 1 -2.928 28.316 9.948 2 HA ALA 1 HA ALA 1 -4.351 27.357 11.590 3 HB1 ALA 1 2HB ALA 1 -6.327 26.555 9.489 4 HB2 ALA 1 3HB ALA 1 -6.408 28.196 10.131 5 HB3 ALA 1 1HB ALA 1 -6.573 26.815 11.216 6 H SER 2 H SER 2 -3.139 25.606 11.939 7 HA SER 2 HA SER 2 -1.981 23.992 9.957 8 HB2 SER 2 2HB SER 2 -1.236 24.189 12.357 9 HB3 SER 2 1HB SER 2 -2.587 23.150 12.798 10 HG SER 2 HG SER 2 -1.071 21.690 12.418 11 H LYS 3 H LYS 3 -5.184 24.147 10.957 12 HA LYS 3 HA LYS 3 -6.068 21.505 10.954 13 HB2 LYS 3 2HB LYS 3 -7.251 24.137 10.669 14 HB3 LYS 3 1HB LYS 3 -8.059 22.961 9.631 15 HG2 LYS 3 2HG LYS 3 -8.363 21.452 11.547 16 HG3 LYS 3 1HG LYS 3 -7.522 22.596 12.595 17 HD2 LYS 3 2HD LYS 3 -9.273 24.313 11.958 18 HD3 LYS 3 1HD LYS 3 -10.164 23.008 11.174 19 HE2 LYS 3 2HE LYS 3 -9.674 21.866 13.587 20 HE3 LYS 3 1HE LYS 3 -9.770 23.561 14.061 21 HZ1 LYS 3 3HZ LYS 3 -11.809 22.440 12.264 22 HZ2 LYS 3 1HZ LYS 3 -11.933 23.733 13.354 23 HZ3 LYS 3 2HZ LYS 3 -11.911 22.136 13.932 24 H GLU 4 H GLU 4 -5.348 23.664 8.255 25 HA GLU 4 HA GLU 4 -6.394 22.039 6.189 26 HB2 GLU 4 2HB GLU 4 -5.440 24.530 6.225 27 HB3 GLU 4 1HB GLU 4 -3.979 23.707 5.674 28 HG2 GLU 4 2HG GLU 4 -5.269 22.646 3.854 29 HG3 GLU 4 1HG GLU 4 -6.720 23.485 4.396 30 H LEU 5 H LEU 5 -3.092 22.349 7.495 31 HA LEU 5 HA LEU 5 -1.833 20.479 5.845 32 HB2 LEU 5 2HB LEU 5 -1.303 21.461 8.635 33 HB3 LEU 5 1HB LEU 5 -0.316 20.176 7.938 34 HG LEU 5 HG LEU 5 0.261 21.603 6.039 35 HD11 LEU 5 1HD1 LEU 5 -0.462 24.087 6.298 36 HD12 LEU 5 2HD1 LEU 5 -1.723 23.453 7.353 37 HD13 LEU 5 3HD1 LEU 5 -1.644 22.940 5.668 38 HD21 LEU 5 3HD2 LEU 5 1.781 22.977 7.172 39 HD22 LEU 5 1HD2 LEU 5 1.385 21.784 8.409 40 HD23 LEU 5 2HD2 LEU 5 0.624 23.374 8.442 41 H GLU 6 H GLU 6 -3.726 20.034 8.787 42 HA GLU 6 HA GLU 6 -3.124 17.320 9.250 43 HB2 GLU 6 2HB GLU 6 -4.339 18.926 10.804 44 HB3 GLU 6 1HB GLU 6 -5.780 18.632 9.831 45 HG2 GLU 6 2HG GLU 6 -5.209 16.107 10.216 46 HG3 GLU 6 1HG GLU 6 -4.254 16.713 11.570 47 H LEU 7 H LEU 7 -5.809 18.829 7.455 48 HA LEU 7 HA LEU 7 -7.049 16.425 6.653 49 HB2 LEU 7 2HB LEU 7 -7.057 19.209 5.487 50 HB3 LEU 7 1HB LEU 7 -8.016 17.892 4.809 51 HG LEU 7 HG LEU 7 -8.202 18.316 7.751 52 HD11 LEU 7 1HD1 LEU 7 -9.412 20.175 5.684 53 HD12 LEU 7 2HD1 LEU 7 -8.333 20.615 7.008 54 HD13 LEU 7 3HD1 LEU 7 -9.973 20.067 7.354 55 HD21 LEU 7 3HD2 LEU 7 -10.410 17.928 5.731 56 HD22 LEU 7 1HD2 LEU 7 -10.384 17.462 7.432 57 HD23 LEU 7 2HD2 LEU 7 -9.414 16.572 6.258 58 H ILE 8 H ILE 8 -4.543 18.418 5.136 59 HA ILE 8 HA ILE 8 -4.391 17.061 2.678 60 HB ILE 8 HB ILE 8 -2.311 18.581 4.258 61 HG12 ILE 8 2HG1 ILE 8 -3.733 19.337 1.696 62 HG13 ILE 8 1HG1 ILE 8 -4.400 19.719 3.285 63 HG21 ILE 8 1HG2 ILE 8 -2.187 17.265 1.545 64 HG22 ILE 8 2HG2 ILE 8 -1.018 17.177 2.861 65 HG23 ILE 8 3HG2 ILE 8 -1.186 18.664 1.929 66 HD11 ILE 8 3HD1 ILE 8 -2.831 21.325 3.705 67 HD12 ILE 8 1HD1 ILE 8 -2.701 21.363 1.946 68 HD13 ILE 8 2HD1 ILE 8 -1.548 20.425 2.894 69 H THR 9 H THR 9 -2.523 16.594 5.678 70 HA THR 9 HA THR 9 -0.940 14.456 4.773 71 HB THR 9 HB THR 9 -1.925 15.022 7.581 72 HG1 THR 9 1HG THR 9 0.098 16.035 5.951 73 HG21 THR 9 3HG2 THR 9 -1.040 12.861 7.687 74 HG22 THR 9 1HG2 THR 9 0.376 13.855 8.029 75 HG23 THR 9 2HG2 THR 9 0.141 13.177 6.417 76 H LEU 10 H LEU 10 -4.122 14.503 6.337 77 HA LEU 10 HA LEU 10 -4.465 11.761 6.735 78 HB2 LEU 10 2HB LEU 10 -6.016 14.016 7.087 79 HB3 LEU 10 1HB LEU 10 -6.890 13.132 5.835 80 HG LEU 10 HG LEU 10 -5.968 11.965 8.479 81 HD11 LEU 10 1HD1 LEU 10 -8.804 11.909 8.065 82 HD12 LEU 10 2HD1 LEU 10 -8.236 13.562 7.826 83 HD13 LEU 10 3HD1 LEU 10 -7.901 12.726 9.341 84 HD21 LEU 10 3HD2 LEU 10 -7.812 10.245 7.497 85 HD22 LEU 10 1HD2 LEU 10 -6.086 10.076 7.179 86 HD23 LEU 10 2HD2 LEU 10 -7.131 10.841 5.983 87 H THR 11 H THR 11 -5.243 13.747 3.888 88 HA THR 11 HA THR 11 -6.380 11.714 2.318 89 HB THR 11 HB THR 11 -4.882 14.222 1.537 90 HG1 THR 11 1HG THR 11 -7.108 14.007 2.653 91 HG21 THR 11 3HG2 THR 11 -6.440 13.631 -0.602 92 HG22 THR 11 1HG2 THR 11 -6.003 12.005 -0.077 93 HG23 THR 11 2HG2 THR 11 -4.742 13.169 -0.483 94 H VAL 12 H VAL 12 -3.019 12.884 2.490 95 HA VAL 12 HA VAL 12 -1.885 11.247 0.549 96 HB VAL 12 HB VAL 12 -0.673 12.158 3.170 97 HG11 VAL 12 1HG1 VAL 12 0.459 10.909 0.674 98 HG12 VAL 12 2HG1 VAL 12 0.783 10.497 2.357 99 HG13 VAL 12 3HG1 VAL 12 1.447 11.979 1.669 100 HG21 VAL 12 3HG2 VAL 12 0.318 13.646 1.014 101 HG22 VAL 12 1HG2 VAL 12 -0.838 14.203 2.224 102 HG23 VAL 12 2HG2 VAL 12 -1.413 13.518 0.705 103 H GLY 13 H GLY 13 -2.308 10.592 4.027 104 HA2 GLY 13 2HA GLY 13 -1.177 8.004 4.011 105 HA3 GLY 13 1HA GLY 13 -2.297 8.625 5.221 106 H PHE 14 H PHE 14 -4.563 9.087 3.753 107 HA PHE 14 HA PHE 14 -5.770 6.564 3.620 108 HB2 PHE 14 2HB PHE 14 -6.991 8.716 3.889 109 HB3 PHE 14 1HB PHE 14 -6.656 9.085 2.197 110 HD1 PHE 14 2HD PHE 14 -7.972 6.230 4.256 111 HD2 PHE 14 1HD PHE 14 -8.298 8.532 0.644 112 HE1 PHE 14 2HE PHE 14 -9.936 4.877 3.570 113 HE2 PHE 14 1HE PHE 14 -10.261 7.180 -0.042 114 HZ PHE 14 HZ PHE 14 -11.080 5.353 1.422 115 H GLY 15 H GLY 15 -4.476 8.628 1.034 116 HA2 GLY 15 2HA GLY 15 -5.236 7.041 -1.156 117 HA3 GLY 15 1HA GLY 15 -3.875 8.158 -1.137 118 H ILE 16 H ILE 16 -2.342 6.952 0.894 119 HA ILE 16 HA ILE 16 -0.971 4.956 -0.591 120 HB ILE 16 HB ILE 16 -0.745 5.856 2.284 121 HG12 ILE 16 2HG1 ILE 16 1.205 6.240 0.009 122 HG13 ILE 16 1HG1 ILE 16 -0.123 7.368 0.280 123 HG21 ILE 16 1HG2 ILE 16 0.106 3.647 2.326 124 HG22 ILE 16 2HG2 ILE 16 1.531 4.650 2.058 125 HG23 ILE 16 3HG2 ILE 16 0.792 3.791 0.707 126 HD11 ILE 16 3HD1 ILE 16 2.255 7.732 1.432 127 HD12 ILE 16 1HD1 ILE 16 1.575 6.625 2.624 128 HD13 ILE 16 2HD1 ILE 16 0.760 8.149 2.267 129 H LEU 17 H LEU 17 -3.102 4.824 2.247 130 HA LEU 17 HA LEU 17 -2.908 2.091 2.798 131 HB2 LEU 17 2HB LEU 17 -4.665 4.283 3.512 132 HB3 LEU 17 1HB LEU 17 -5.570 2.784 3.306 133 HG LEU 17 HG LEU 17 -3.990 1.628 4.817 134 HD11 LEU 17 1HD1 LEU 17 -2.545 4.161 4.464 135 HD12 LEU 17 2HD1 LEU 17 -1.936 2.578 4.952 136 HD13 LEU 17 3HD1 LEU 17 -2.661 3.653 6.148 137 HD21 LEU 17 3HD2 LEU 17 -4.951 2.444 6.786 138 HD22 LEU 17 1HD2 LEU 17 -6.064 3.070 5.570 139 HD23 LEU 17 2HD2 LEU 17 -4.832 4.123 6.265 140 H ILE 18 H ILE 18 -5.081 3.823 0.584 141 HA ILE 18 HA ILE 18 -6.642 1.657 -0.248 142 HB ILE 18 HB ILE 18 -5.766 4.141 -1.734 143 HG12 ILE 18 2HG1 ILE 18 -8.496 3.492 -0.629 144 HG13 ILE 18 1HG1 ILE 18 -7.249 4.186 0.407 145 HG21 ILE 18 1HG2 ILE 18 -7.494 1.829 -2.525 146 HG22 ILE 18 2HG2 ILE 18 -6.420 2.816 -3.517 147 HG23 ILE 18 3HG2 ILE 18 -7.989 3.448 -3.020 148 HD11 ILE 18 3HD1 ILE 18 -8.965 5.640 -1.193 149 HD12 ILE 18 1HD1 ILE 18 -7.508 5.551 -2.183 150 HD13 ILE 18 2HD1 ILE 18 -7.429 6.230 -0.557 151 H PHE 19 H PHE 19 -3.718 3.002 -1.796 152 HA PHE 19 HA PHE 19 -3.492 1.081 -3.825 153 HB2 PHE 19 2HB PHE 19 -1.994 3.290 -2.899 154 HB3 PHE 19 1HB PHE 19 -0.889 1.916 -2.933 155 HD1 PHE 19 1HD PHE 19 -3.157 4.021 -4.954 156 HD2 PHE 19 2HD PHE 19 -0.295 0.819 -5.008 157 HE1 PHE 19 1HE PHE 19 -3.022 4.185 -7.423 158 HE2 PHE 19 2HE PHE 19 -0.159 0.983 -7.480 159 HZ PHE 19 HZ PHE 19 -1.523 2.667 -8.687 160 H SER 20 H SER 20 -2.261 1.103 -0.508 161 HA SER 20 HA SER 20 -0.682 -1.235 -0.692 162 HB2 SER 20 2HB SER 20 -1.889 0.353 1.525 163 HB3 SER 20 1HB SER 20 -1.320 -1.274 1.890 164 HG SER 20 HG SER 20 0.676 -0.611 0.824 165 H LEU 21 H LEU 21 -4.094 -0.708 0.062 166 HA LEU 21 HA LEU 21 -4.739 -3.314 0.900 167 HB2 LEU 21 2HB LEU 21 -6.236 -1.349 1.151 168 HB3 LEU 21 1HB LEU 21 -6.505 -1.360 -0.593 169 HG LEU 21 HG LEU 21 -6.924 -4.014 0.387 170 HD11 LEU 21 1HD1 LEU 21 -8.796 -3.615 1.932 171 HD12 LEU 21 2HD1 LEU 21 -8.510 -1.877 1.845 172 HD13 LEU 21 3HD1 LEU 21 -7.307 -2.932 2.583 173 HD21 LEU 21 3HD2 LEU 21 -7.938 -3.039 -1.629 174 HD22 LEU 21 1HD2 LEU 21 -8.824 -1.878 -0.639 175 HD23 LEU 21 2HD2 LEU 21 -9.196 -3.599 -0.529 176 H ILE 22 H ILE 22 -4.877 -1.824 -2.331 177 HA ILE 22 HA ILE 22 -5.833 -4.105 -3.697 178 HB ILE 22 HB ILE 22 -4.177 -1.769 -4.676 179 HG12 ILE 22 2HG1 ILE 22 -7.087 -2.250 -5.241 180 HG13 ILE 22 1HG1 ILE 22 -6.618 -1.571 -3.684 181 HG21 ILE 22 1HG2 ILE 22 -3.856 -3.333 -6.371 182 HG22 ILE 22 2HG2 ILE 22 -5.362 -2.580 -6.892 183 HG23 ILE 22 3HG2 ILE 22 -5.395 -4.136 -6.062 184 HD11 ILE 22 3HD1 ILE 22 -5.682 -0.433 -6.328 185 HD12 ILE 22 1HD1 ILE 22 -5.532 0.301 -4.730 186 HD13 ILE 22 2HD1 ILE 22 -7.120 0.144 -5.485 187 H VAL 23 H VAL 23 -2.635 -3.126 -2.671 188 HA VAL 23 HA VAL 23 -1.177 -4.958 -4.308 189 HB VAL 23 HB VAL 23 -0.439 -3.569 -1.721 190 HG11 VAL 23 1HG1 VAL 23 1.108 -5.304 -1.802 191 HG12 VAL 23 2HG1 VAL 23 1.924 -4.088 -2.785 192 HG13 VAL 23 3HG1 VAL 23 1.051 -5.411 -3.562 193 HG21 VAL 23 3HG2 VAL 23 -0.058 -1.766 -3.020 194 HG22 VAL 23 1HG2 VAL 23 -0.769 -2.636 -4.382 195 HG23 VAL 23 2HG2 VAL 23 0.969 -2.722 -4.090 196 H THR 24 H THR 24 -2.105 -5.011 -0.860 197 HA THR 24 HA THR 24 -1.133 -7.614 -0.337 198 HB THR 24 HB THR 24 -3.287 -5.978 1.017 199 HG1 THR 24 1HG THR 24 -0.701 -6.619 1.933 200 HG21 THR 24 3HG2 THR 24 -2.090 -8.667 1.663 201 HG22 THR 24 1HG2 THR 24 -3.787 -8.189 1.660 202 HG23 THR 24 2HG2 THR 24 -2.713 -7.621 2.939 203 H TYR 25 H TYR 25 -4.140 -6.422 -1.678 204 HA TYR 25 HA TYR 25 -5.667 -8.795 -1.391 205 HB2 TYR 25 2HB TYR 25 -6.669 -6.598 -1.904 206 HB3 TYR 25 1HB TYR 25 -5.894 -6.624 -3.489 207 HD1 TYR 25 1HD TYR 25 -8.402 -8.307 -1.333 208 HD2 TYR 25 2HD TYR 25 -6.758 -7.957 -5.286 209 HE1 TYR 25 1HE TYR 25 -10.286 -9.644 -2.236 210 HE2 TYR 25 2HE TYR 25 -8.642 -9.293 -6.188 211 HH TYR 25 HH TYR 25 -10.767 -10.043 -5.687 212 H CYS 26 H CYS 26 -3.644 -7.551 -4.036 213 HA CYS 26 HA CYS 26 -4.117 -9.602 -5.889 214 HB2 CYS 26 2HB CYS 26 -1.701 -7.846 -5.429 215 HB3 CYS 26 1HB CYS 26 -1.843 -8.955 -6.793 216 HG CYS 26 HG CYS 26 -4.229 -7.046 -6.527 217 H ILE 27 H ILE 27 -1.634 -9.314 -3.358 218 HA ILE 27 HA ILE 27 -0.273 -11.714 -3.911 219 HB ILE 27 HB ILE 27 -0.604 -10.076 -1.401 220 HG12 ILE 27 2HG1 ILE 27 1.900 -10.663 -2.981 221 HG13 ILE 27 1HG1 ILE 27 0.796 -9.379 -3.473 222 HG21 ILE 27 1HG2 ILE 27 0.675 -12.756 -1.809 223 HG22 ILE 27 2HG2 ILE 27 -0.194 -12.135 -0.406 224 HG23 ILE 27 3HG2 ILE 27 1.456 -11.600 -0.729 225 HD11 ILE 27 3HD1 ILE 27 2.608 -8.524 -2.007 226 HD12 ILE 27 1HD1 ILE 27 2.069 -9.617 -0.731 227 HD13 ILE 27 2HD1 ILE 27 1.017 -8.310 -1.277 228 H ASN 28 H ASN 28 -2.938 -11.032 -1.648 229 HA ASN 28 HA ASN 28 -3.210 -13.591 -0.559 230 HB2 ASN 28 2HB ASN 28 -5.203 -11.382 -1.052 231 HB3 ASN 28 1HB ASN 28 -5.651 -12.888 -0.250 232 HD21 ASN 28 1HD2 ASN 28 -5.295 -9.979 0.779 233 HD22 ASN 28 2HD2 ASN 28 -4.291 -10.164 2.136 234 H ALA 29 H ALA 29 -4.593 -12.201 -3.511 235 HA ALA 29 HA ALA 29 -6.271 -14.355 -4.200 236 HB1 ALA 29 1HB ALA 29 -6.610 -13.242 -6.179 237 HB2 ALA 29 2HB ALA 29 -4.905 -12.832 -6.365 238 HB3 ALA 29 3HB ALA 29 -5.914 -11.922 -5.240 239 H LYS 30 H LYS 30 -2.892 -13.657 -5.065 240 HA LYS 30 HA LYS 30 -2.458 -15.821 -6.785 241 HB2 LYS 30 2HB LYS 30 -0.588 -14.340 -4.930 242 HB3 LYS 30 1HB LYS 30 -0.038 -15.570 -6.067 243 HG2 LYS 30 2HG LYS 30 -1.129 -14.267 -7.914 244 HG3 LYS 30 1HG LYS 30 -1.484 -12.994 -6.745 245 HD2 LYS 30 2HD LYS 30 0.937 -12.787 -6.253 246 HD3 LYS 30 1HD LYS 30 1.276 -14.026 -7.462 247 HE2 LYS 30 2HE LYS 30 0.986 -12.583 -9.191 248 HE3 LYS 30 1HE LYS 30 -0.426 -11.836 -8.446 249 HZ1 LYS 30 3HZ LYS 30 1.267 -10.813 -6.848 250 HZ2 LYS 30 1HZ LYS 30 1.160 -10.169 -8.414 251 HZ3 LYS 30 2HZ LYS 30 2.428 -11.227 -8.016 252 H ALA 31 H ALA 31 -2.077 -15.592 -3.258 253 HA ALA 31 HA ALA 31 -1.053 -18.174 -2.824 254 HB1 ALA 31 1HB ALA 31 -2.878 -16.708 -0.918 255 HB2 ALA 31 2HB ALA 31 -1.195 -16.244 -1.163 256 HB3 ALA 31 3HB ALA 31 -1.585 -17.844 -0.530 257 H ASP 32 H ASP 32 -4.411 -16.983 -2.737 258 HA ASP 32 HA ASP 32 -5.710 -19.326 -2.033 259 HB2 ASP 32 2HB ASP 32 -6.559 -17.095 -3.884 260 HB3 ASP 32 1HB ASP 32 -7.638 -18.400 -3.392 261 H VAL 33 H VAL 33 -4.619 -18.261 -5.234 262 HA VAL 33 HA VAL 33 -5.742 -20.532 -6.596 263 HB VAL 33 HB VAL 33 -3.638 -18.566 -7.532 264 HG11 VAL 33 1HG1 VAL 33 -4.599 -19.269 -9.788 265 HG12 VAL 33 2HG1 VAL 33 -5.392 -20.594 -8.936 266 HG13 VAL 33 3HG1 VAL 33 -3.632 -20.490 -8.959 267 HG21 VAL 33 3HG2 VAL 33 -5.297 -17.055 -7.720 268 HG22 VAL 33 1HG2 VAL 33 -6.389 -18.182 -6.915 269 HG23 VAL 33 2HG2 VAL 33 -6.250 -18.193 -8.672 270 H LEU 34 H LEU 34 -2.503 -19.582 -5.500 271 HA LEU 34 HA LEU 34 -0.917 -21.503 -6.622 272 HB2 LEU 34 2HB LEU 34 -0.875 -20.211 -3.911 273 HB3 LEU 34 1HB LEU 34 0.312 -21.451 -4.320 274 HG LEU 34 HG LEU 34 -0.177 -19.199 -6.243 275 HD11 LEU 34 1HD1 LEU 34 1.106 -19.035 -3.559 276 HD12 LEU 34 2HD1 LEU 34 0.307 -17.777 -4.503 277 HD13 LEU 34 3HD1 LEU 34 1.958 -18.260 -4.896 278 HD21 LEU 34 3HD2 LEU 34 1.374 -21.399 -6.387 279 HD22 LEU 34 1HD2 LEU 34 2.503 -20.318 -5.572 280 HD23 LEU 34 2HD2 LEU 34 1.833 -19.872 -7.140 281 H PHE 35 H PHE 35 -3.184 -21.892 -3.959 282 HA PHE 35 HA PHE 35 -2.803 -24.815 -4.161 283 HB2 PHE 35 2HB PHE 35 -3.217 -23.241 -1.607 284 HB3 PHE 35 1HB PHE 35 -3.136 -24.999 -1.731 285 HD1 PHE 35 2HD PHE 35 -1.220 -21.861 -1.929 286 HD2 PHE 35 1HD PHE 35 -1.032 -26.142 -2.215 287 HE1 PHE 35 2HE PHE 35 1.254 -21.760 -1.802 288 HE2 PHE 35 1HE PHE 35 1.442 -26.042 -2.088 289 HZ PHE 35 HZ PHE 35 2.585 -23.850 -1.882 290 H ILE 36 H ILE 36 -4.661 -24.409 -5.674 291 HA ILE 36 HA ILE 36 -7.018 -23.712 -5.841 292 HB ILE 36 HB ILE 36 -6.851 -26.560 -4.833 293 HG12 ILE 36 2HG1 ILE 36 -5.139 -26.234 -6.528 294 HG13 ILE 36 1HG1 ILE 36 -6.490 -27.099 -7.262 295 HG21 ILE 36 1HG2 ILE 36 -8.598 -26.058 -7.076 296 HG22 ILE 36 2HG2 ILE 36 -8.995 -24.960 -5.753 297 HG23 ILE 36 3HG2 ILE 36 -9.001 -26.704 -5.486 298 HD11 ILE 36 3HD1 ILE 36 -5.684 -24.219 -7.608 299 HD12 ILE 36 1HD1 ILE 36 -7.350 -24.719 -7.904 300 HD13 ILE 36 2HD1 ILE 36 -6.037 -25.426 -8.845 301 H ALA 37 H ALA 37 -6.899 -22.248 -3.837 302 HA ALA 37 HA ALA 37 -8.418 -23.453 -1.606 303 HB1 ALA 37 1HB ALA 37 -7.457 -20.840 -0.965 304 HB2 ALA 37 2HB ALA 37 -6.123 -21.773 -1.643 305 HB3 ALA 37 3HB ALA 37 -7.003 -22.384 -0.242 306 HA PRO 38 HA PRO 38 -11.980 -21.080 -2.527 307 HB2 PRO 38 2HB PRO 38 -12.720 -20.237 0.004 308 HB3 PRO 38 1HB PRO 38 -13.026 -21.859 -0.647 309 HG2 PRO 38 2HG PRO 38 -10.884 -20.931 1.193 310 HG3 PRO 38 1HG PRO 38 -11.791 -22.451 1.190 311 HD2 PRO 38 2HD PRO 38 -9.264 -22.296 0.271 312 HD3 PRO 38 1HD PRO 38 -10.453 -23.418 -0.424 313 H ARG 39 H ARG 39 -13.059 -18.840 -1.515 314 HA ARG 39 HA ARG 39 -10.932 -16.798 -1.465 315 HB2 ARG 39 2HB ARG 39 -12.364 -15.399 -2.984 316 HB3 ARG 39 1HB ARG 39 -11.680 -16.830 -3.755 317 HG2 ARG 39 2HG ARG 39 -13.774 -18.042 -3.468 318 HG3 ARG 39 1HG ARG 39 -14.468 -16.692 -2.570 319 HD2 ARG 39 2HD ARG 39 -14.982 -16.950 -5.136 320 HD3 ARG 39 1HD ARG 39 -14.661 -15.354 -4.465 321 HE ARG 39 HE ARG 39 -12.646 -15.310 -5.638 322 HH11 ARG 39 1HH2 ARG 39 -14.057 -18.470 -5.632 323 HH12 ARG 39 2HH2 ARG 39 -12.959 -19.114 -6.807 324 HH21 ARG 39 1HH1 ARG 39 -11.202 -16.147 -7.179 325 HH22 ARG 39 2HH1 ARG 39 -11.343 -17.798 -7.683 326 H GLU 40 H GLU 40 -11.703 -14.690 -0.681 327 HA GLU 40 HA GLU 40 -12.905 -14.746 1.769 328 HB2 GLU 40 2HB GLU 40 -12.471 -12.652 -0.274 329 HB3 GLU 40 1HB GLU 40 -13.700 -12.290 0.939 330 HG2 GLU 40 2HG GLU 40 -12.175 -12.448 2.718 331 HG3 GLU 40 1HG GLU 40 -11.022 -13.385 1.769 332 HA PRO 41 HA PRO 41 -17.200 -15.545 1.721 333 HB2 PRO 41 2HB PRO 41 -17.611 -12.738 2.671 334 HB3 PRO 41 1HB PRO 41 -18.237 -14.258 3.339 335 HG2 PRO 41 2HG PRO 41 -16.161 -12.923 4.426 336 HG3 PRO 41 1HG PRO 41 -16.335 -14.684 4.510 337 HD2 PRO 41 2HD PRO 41 -14.373 -13.102 2.987 338 HD3 PRO 41 1HD PRO 41 -14.343 -14.827 3.411 339 H GLY 42 H GLY 42 -17.518 -15.653 -0.537 340 HA2 GLY 42 2HA GLY 42 -18.094 -14.915 -2.665 341 HA3 GLY 42 1HA GLY 42 -19.407 -14.165 -1.763 342 H ALA 43 H ALA 43 -15.925 -13.432 -1.819 343 HA ALA 43 HA ALA 43 -16.165 -10.669 -1.711 344 HB1 ALA 43 1HB ALA 43 -14.052 -12.580 -2.502 345 HB2 ALA 43 2HB ALA 43 -13.979 -11.207 -1.396 346 HB3 ALA 43 3HB ALA 43 -13.872 -10.943 -3.136 347 H VAL 44 H VAL 44 -15.867 -12.751 -4.584 348 HA VAL 44 HA VAL 44 -15.943 -10.657 -6.487 349 HB VAL 44 HB VAL 44 -16.788 -13.550 -6.788 350 HG11 VAL 44 1HG1 VAL 44 -16.113 -11.374 -8.785 351 HG12 VAL 44 2HG1 VAL 44 -17.637 -12.249 -8.633 352 HG13 VAL 44 3HG1 VAL 44 -16.192 -13.085 -9.201 353 HG21 VAL 44 3HG2 VAL 44 -14.517 -13.936 -7.540 354 HG22 VAL 44 1HG2 VAL 44 -14.436 -13.140 -5.968 355 HG23 VAL 44 2HG2 VAL 44 -14.145 -12.215 -7.441 356 H SER 45 H SER 45 -18.422 -12.328 -4.699 357 HA SER 45 HA SER 45 -20.609 -11.536 -6.384 358 HB2 SER 45 2HB SER 45 -21.142 -12.120 -3.536 359 HB3 SER 45 1HB SER 45 -21.899 -12.777 -4.984 360 HG SER 45 HG SER 45 -19.760 -13.688 -3.525 361 H TYR 46 H TYR 46 -19.408 -10.439 -3.209 362 HA TYR 46 HA TYR 46 -21.232 -8.362 -2.802 363 HB2 TYR 46 2HB TYR 46 -18.536 -9.057 -1.789 364 HB3 TYR 46 1HB TYR 46 -19.013 -7.367 -1.617 365 HD1 TYR 46 1HD TYR 46 -21.120 -6.779 -0.400 366 HD2 TYR 46 2HD TYR 46 -19.577 -10.787 -0.492 367 HE1 TYR 46 1HE TYR 46 -22.565 -7.380 1.524 368 HE2 TYR 46 2HE TYR 46 -21.022 -11.388 1.430 369 HH TYR 46 HH TYR 46 -22.720 -10.716 2.734
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