NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
599066 | 2n2v | 25613 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 2H0 GLY 1 2.529 1.935 -0.043 2 H2 GLY 1 1H0 GLY 1 2.783 2.968 -1.316 3 HA2 GLY 1 1HA GLY 1 2.764 0.679 -2.202 4 HA3 GLY 1 2HA GLY 1 1.200 0.401 -1.367 5 H ILE 2 H ILE 2 2.603 1.283 -4.253 6 HA ILE 2 HA ILE 2 0.210 2.369 -5.497 7 HB ILE 2 HB ILE 2 2.689 2.743 -6.220 8 HG12 ILE 2 1HG1 ILE 2 1.885 3.108 -8.617 9 HG13 ILE 2 2HG1 ILE 2 0.346 2.415 -8.086 10 HG21 ILE 2 1HG2 ILE 2 3.190 0.303 -6.610 11 HG22 ILE 2 2HG2 ILE 2 2.015 0.271 -7.941 12 HG23 ILE 2 3HG2 ILE 2 3.467 1.326 -8.072 13 HD11 ILE 2 3HD1 ILE 2 1.738 5.029 -7.204 14 HD12 ILE 2 1HD1 ILE 2 0.163 4.833 -8.026 15 HD13 ILE 2 2HD1 ILE 2 0.326 4.308 -6.321 16 H VAL 3 H VAL 3 1.274 -0.903 -4.901 17 HA VAL 3 HA VAL 3 -0.231 -2.300 -6.868 18 HB VAL 3 HB VAL 3 0.541 -3.063 -4.010 19 HG11 VAL 3 1HG1 VAL 3 -0.928 -4.684 -6.225 20 HG12 VAL 3 2HG1 VAL 3 -0.022 -5.499 -4.930 21 HG13 VAL 3 3HG1 VAL 3 -1.426 -4.499 -4.511 22 HG21 VAL 3 3HG2 VAL 3 1.576 -4.084 -6.698 23 HG22 VAL 3 1HG2 VAL 3 2.366 -2.795 -5.788 24 HG23 VAL 3 2HG2 VAL 3 2.252 -4.418 -5.081 25 H GLU 4 H GLU 4 -1.173 -1.177 -3.603 26 HA GLU 4 HA GLU 4 -3.889 -1.966 -3.655 27 HB2 GLU 4 1HB GLU 4 -2.390 0.361 -2.353 28 HB3 GLU 4 2HB GLU 4 -4.183 0.249 -2.293 29 HG2 GLU 4 1HG GLU 4 -3.475 -0.741 -0.236 30 HG3 GLU 4 2HG GLU 4 -3.872 -2.092 -1.301 31 HE2 GLU 4 HE2 GLU 4 -2.502 -2.693 0.623 32 H GLN 5 H GLN 5 -2.496 1.169 -4.897 33 HA GLN 5 HA GLN 5 -4.961 2.198 -5.775 34 HB2 GLN 5 1HB GLN 5 -2.193 2.858 -6.831 35 HB3 GLN 5 2HB GLN 5 -3.618 3.772 -7.099 36 HG2 GLN 5 1HG GLN 5 -3.780 3.945 -4.526 37 HG3 GLN 5 2HG GLN 5 -2.178 3.231 -4.510 38 HE21 GLN 5 2HE2 GLN 5 -1.754 5.516 -3.386 39 HE22 GLN 5 1HE2 GLN 5 -1.385 6.818 -4.486 40 H CYS 6 H CYS 6 -2.663 0.107 -7.545 41 HA CYS 6 HA CYS 6 -4.014 0.366 -10.138 42 HB2 CYS 6 1HB CYS 6 -1.588 -0.274 -9.446 43 HB3 CYS 6 2HB CYS 6 -2.251 -1.889 -9.237 44 H CYS 7 H CYS 7 -4.374 -1.602 -7.309 45 HA CYS 7 HA CYS 7 -6.114 -3.598 -8.508 46 HB2 CYS 7 1HB CYS 7 -4.456 -3.981 -6.643 47 HB3 CYS 7 2HB CYS 7 -5.507 -2.994 -5.628 48 H THR 8 H THR 8 -6.555 -0.919 -6.041 49 HA THR 8 HA THR 8 -9.323 -1.702 -5.861 50 HB THR 8 HB THR 8 -7.846 -0.893 -3.911 51 HG1 THR 8 HG1 THR 8 -10.351 0.427 -4.418 52 HG21 THR 8 1HG2 THR 8 -6.912 1.154 -4.968 53 HG22 THR 8 2HG2 THR 8 -7.809 1.506 -3.463 54 HG23 THR 8 3HG2 THR 8 -8.565 1.840 -5.056 55 H SER 9 H SER 9 -7.468 0.494 -7.746 56 HA SER 9 HA SER 9 -10.006 1.771 -8.646 57 HB2 SER 9 1HB SER 9 -8.461 3.377 -7.479 58 HB3 SER 9 2HB SER 9 -7.270 3.080 -8.748 59 HG SER 9 HG SER 9 -8.421 4.816 -9.361 60 H ILE 10 H ILE 10 -9.460 2.511 -11.088 61 HA ILE 10 HA ILE 10 -8.432 0.070 -12.396 62 HB ILE 10 HB ILE 10 -10.125 2.426 -13.304 63 HG12 ILE 10 1HG1 ILE 10 -10.642 -0.595 -13.027 64 HG13 ILE 10 2HG1 ILE 10 -11.259 0.674 -12.002 65 HG21 ILE 10 1HG2 ILE 10 -8.543 1.735 -15.148 66 HG22 ILE 10 2HG2 ILE 10 -9.338 0.167 -15.166 67 HG23 ILE 10 3HG2 ILE 10 -10.238 1.614 -15.544 68 HD11 ILE 10 3HD1 ILE 10 -13.063 -0.002 -13.378 69 HD12 ILE 10 1HD1 ILE 10 -12.526 1.591 -14.057 70 HD13 ILE 10 2HD1 ILE 10 -12.002 0.030 -14.854 71 H CYS 11 H CYS 11 -6.534 -0.099 -13.276 72 HA CYS 11 HA CYS 11 -4.669 2.157 -13.284 73 HB2 CYS 11 1HB CYS 11 -4.598 -0.735 -13.223 74 HB3 CYS 11 2HB CYS 11 -3.528 -0.188 -14.497 75 H SER 12 H SER 12 -3.119 2.417 -15.199 76 HA SER 12 HA SER 12 -4.540 2.083 -17.830 77 HB2 SER 12 1HB SER 12 -3.130 4.645 -17.306 78 HB3 SER 12 2HB SER 12 -4.443 4.332 -18.408 79 HG SER 12 HG SER 12 -5.699 4.081 -16.326 80 H LEU 13 H LEU 13 -2.981 2.664 -19.754 81 HA LEU 13 HA LEU 13 -0.739 0.975 -19.572 82 HB2 LEU 13 1HB LEU 13 -1.394 3.289 -21.391 83 HB3 LEU 13 2HB LEU 13 0.064 2.299 -21.654 84 HG LEU 13 HG LEU 13 -2.721 1.102 -21.526 85 HD11 LEU 13 1HD1 LEU 13 -2.837 2.783 -23.244 86 HD12 LEU 13 2HD1 LEU 13 -2.762 1.163 -23.983 87 HD13 LEU 13 3HD1 LEU 13 -1.317 2.189 -23.978 88 HD21 LEU 13 3HD2 LEU 13 -0.971 -0.483 -21.253 89 HD22 LEU 13 1HD2 LEU 13 -0.001 0.194 -22.583 90 HD23 LEU 13 2HD2 LEU 13 -1.519 -0.661 -22.926 91 H TYR 14 H TYR 14 -0.886 4.490 -19.206 92 HA TYR 14 HA TYR 14 1.891 4.965 -19.157 93 HB2 TYR 14 1HB TYR 14 0.106 6.680 -17.517 94 HB3 TYR 14 2HB TYR 14 1.333 7.142 -18.707 95 HD1 TYR 14 HD2 TYR 14 0.732 6.560 -21.258 96 HD2 TYR 14 HD1 TYR 14 -2.181 6.783 -18.093 97 HE1 TYR 14 HE2 TYR 14 -1.078 6.964 -22.967 98 HE2 TYR 14 HE1 TYR 14 -4.013 7.016 -19.818 99 HH TYR 14 HH TYR 14 -4.554 7.342 -22.019 100 H GLN 15 H GLN 15 -0.509 4.235 -16.596 101 HA GLN 15 HA GLN 15 1.131 4.774 -14.352 102 HB2 GLN 15 1HB GLN 15 -1.197 2.859 -14.620 103 HB3 GLN 15 2HB GLN 15 -0.509 3.441 -13.121 104 HG2 GLN 15 1HG GLN 15 -1.075 5.764 -13.829 105 HG3 GLN 15 2HG GLN 15 -2.064 5.101 -15.123 106 HE21 GLN 15 2HE2 GLN 15 -4.146 4.860 -14.574 107 HE22 GLN 15 1HE2 GLN 15 -4.726 4.579 -12.938 108 H LEU 16 H LEU 16 0.382 1.760 -16.254 109 HA LEU 16 HA LEU 16 2.072 0.162 -14.573 110 HB2 LEU 16 1HB LEU 16 1.210 -0.163 -17.442 111 HB3 LEU 16 2HB LEU 16 1.916 -1.453 -16.500 112 HG LEU 16 HG LEU 16 -0.699 -0.083 -15.763 113 HD11 LEU 16 1HD1 LEU 16 -1.845 -1.946 -16.829 114 HD12 LEU 16 2HD1 LEU 16 -0.299 -2.602 -17.396 115 HD13 LEU 16 3HD1 LEU 16 -0.875 -1.056 -18.023 116 HD21 LEU 16 3HD2 LEU 16 0.341 -2.826 -14.968 117 HD22 LEU 16 1HD2 LEU 16 -1.122 -2.055 -14.386 118 HD23 LEU 16 2HD2 LEU 16 0.426 -1.370 -13.964 119 H GLU 17 H GLU 17 2.827 1.947 -17.614 120 HA GLU 17 HA GLU 17 5.459 0.918 -18.005 121 HB2 GLU 17 1HB GLU 17 4.115 3.597 -18.795 122 HB3 GLU 17 2HB GLU 17 5.765 3.167 -19.243 123 HG2 GLU 17 1HG GLU 17 3.559 1.246 -19.967 124 HG3 GLU 17 2HG GLU 17 3.708 2.749 -20.899 125 HE2 GLU 17 HE2 GLU 17 6.521 -0.014 -21.085 126 H ASN 18 H ASN 18 4.110 3.510 -15.881 127 HA ASN 18 HA ASN 18 6.638 4.596 -15.029 128 HB2 ASN 18 1HB ASN 18 3.868 4.574 -13.939 129 HB3 ASN 18 2HB ASN 18 5.219 5.147 -12.934 130 HD21 ASN 18 2HD2 ASN 18 3.016 6.823 -13.850 131 HD22 ASN 18 1HD2 ASN 18 3.724 8.029 -14.923 132 H TYR 19 H TYR 19 5.320 1.476 -14.345 133 HA TYR 19 HA TYR 19 6.718 1.309 -11.746 134 HB2 TYR 19 1HB TYR 19 5.263 -0.862 -13.284 135 HB3 TYR 19 2HB TYR 19 5.853 -1.010 -11.621 136 HD1 TYR 19 HD1 TYR 19 4.834 2.235 -11.279 137 HD2 TYR 19 HD2 TYR 19 3.072 -1.573 -12.265 138 HE1 TYR 19 HE1 TYR 19 2.624 3.031 -10.670 139 HE2 TYR 19 HE2 TYR 19 0.852 -0.710 -11.709 140 HH TYR 19 HH TYR 19 -0.335 1.034 -10.829 141 H CYS 20 H CYS 20 7.367 0.974 -15.035 142 HA CYS 20 HA CYS 20 9.778 -0.800 -14.610 143 HB2 CYS 20 1HB CYS 20 8.297 0.116 -17.135 144 HB3 CYS 20 2HB CYS 20 9.718 -0.932 -17.109 145 H ASN 21 H ASN 21 11.543 0.112 -16.346 146 HA ASN 21 HA ASN 21 12.000 2.908 -15.657 147 HB2 ASN 21 1HB ASN 21 13.934 1.290 -15.537 148 HB3 ASN 21 2HB ASN 21 13.822 1.013 -17.292 149 HD21 ASN 21 2HD2 ASN 21 15.500 2.012 -18.228 150 HD22 ASN 21 1HD2 ASN 21 15.946 3.613 -17.923 151 HXT ASN 21 H02 ASN 21 10.731 4.075 -18.522 152 H1 PHE 1 2H0 PHE 1 -4.937 -2.894 -26.101 153 H2 PHE 1 1H0 PHE 1 -6.506 -2.456 -26.050 154 HA PHE 1 HA PHE 1 -5.171 -3.372 -23.963 155 HB2 PHE 1 1HB PHE 1 -3.602 -1.456 -24.257 156 HB3 PHE 1 2HB PHE 1 -4.909 -0.338 -23.855 157 HD1 PHE 1 HD2 PHE 1 -2.760 -3.095 -22.578 158 HD2 PHE 1 HD1 PHE 1 -5.676 -0.078 -21.529 159 HE1 PHE 1 HE2 PHE 1 -2.165 -3.409 -20.210 160 HE2 PHE 1 HE1 PHE 1 -5.052 -0.432 -19.103 161 HZ PHE 1 HZ PHE 1 -3.342 -2.103 -18.449 162 H VAL 2 H VAL 2 -6.273 -3.391 -22.071 163 HA VAL 2 HA VAL 2 -8.909 -2.084 -22.220 164 HB VAL 2 HB VAL 2 -9.442 -4.361 -22.810 165 HG11 VAL 2 1HG1 VAL 2 -7.625 -5.186 -20.505 166 HG12 VAL 2 2HG1 VAL 2 -8.776 -6.288 -21.326 167 HG13 VAL 2 3HG1 VAL 2 -7.448 -5.546 -22.248 168 HG21 VAL 2 3HG2 VAL 2 -10.804 -5.134 -20.928 169 HG22 VAL 2 1HG2 VAL 2 -9.946 -3.974 -19.854 170 HG23 VAL 2 2HG2 VAL 2 -10.950 -3.362 -21.213 171 H ASN 3 H ASN 3 -9.285 -0.777 -20.630 172 HA ASN 3 HA ASN 3 -7.533 -0.706 -18.323 173 HB2 ASN 3 1HB ASN 3 -10.032 0.888 -19.084 174 HB3 ASN 3 2HB ASN 3 -8.997 1.264 -17.689 175 HD21 ASN 3 2HD2 ASN 3 -6.831 1.806 -18.092 176 HD22 ASN 3 1HD2 ASN 3 -6.380 2.540 -19.667 177 H GLN 4 H GLN 4 -7.803 -1.784 -16.507 178 HA GLN 4 HA GLN 4 -10.486 -2.463 -15.427 179 HB2 GLN 4 1HB GLN 4 -9.764 -4.887 -15.136 180 HB3 GLN 4 2HB GLN 4 -10.066 -4.422 -16.830 181 HG2 GLN 4 1HG GLN 4 -7.626 -4.212 -17.220 182 HG3 GLN 4 2HG GLN 4 -7.339 -4.699 -15.531 183 HE21 GLN 4 2HE2 GLN 4 -8.524 -5.723 -18.638 184 HE22 GLN 4 1HE2 GLN 4 -8.421 -7.439 -18.320 185 H HIS 5 H HIS 5 -9.985 -3.799 -13.358 186 HA HIS 5 HA HIS 5 -7.948 -2.404 -11.760 187 HB2 HIS 5 1HB HIS 5 -9.745 -4.756 -11.164 188 HB3 HIS 5 2HB HIS 5 -8.766 -3.930 -9.969 189 HD1 HIS 5 HD1 HIS 5 -9.265 -1.238 -9.623 190 HD2 HIS 5 HD2 HIS 5 -12.331 -3.597 -11.262 191 HE1 HIS 5 HE1 HIS 5 -11.445 -0.036 -9.227 192 HE2 HIS 5 HE2 HIS 5 -13.250 -1.410 -10.304 193 H LEU 6 H LEU 6 -5.837 -3.193 -11.620 194 HA LEU 6 HA LEU 6 -5.474 -6.071 -12.554 195 HB2 LEU 6 1HB LEU 6 -3.471 -3.803 -12.506 196 HB3 LEU 6 2HB LEU 6 -3.009 -5.457 -12.709 197 HG LEU 6 HG LEU 6 -2.824 -4.539 -14.818 198 HD11 LEU 6 1HD1 LEU 6 -3.717 -6.795 -15.024 199 HD12 LEU 6 2HD1 LEU 6 -4.543 -5.806 -16.195 200 HD13 LEU 6 3HD1 LEU 6 -5.378 -6.225 -14.718 201 HD21 LEU 6 3HD2 LEU 6 -4.719 -3.465 -15.997 202 HD22 LEU 6 1HD2 LEU 6 -4.199 -2.556 -14.542 203 HD23 LEU 6 2HD2 LEU 6 -5.662 -3.533 -14.504 204 H CYS 7 H CYS 7 -4.798 -7.481 -10.932 205 HA CYS 7 HA CYS 7 -3.403 -6.431 -8.557 206 HB2 CYS 7 1HB CYS 7 -6.008 -6.220 -8.523 207 HB3 CYS 7 2HB CYS 7 -6.022 -7.945 -8.229 208 H GLY 8 H GLY 8 -2.533 -8.304 -7.381 209 HA2 GLY 8 1HA GLY 8 -1.616 -10.399 -7.234 210 HA3 GLY 8 2HA GLY 8 -3.115 -10.967 -7.984 211 H SER 9 H SER 9 -2.319 -12.491 -9.445 212 HA SER 9 HA SER 9 0.075 -12.143 -10.934 213 HB2 SER 9 1HB SER 9 -2.237 -13.863 -11.829 214 HB3 SER 9 2HB SER 9 -0.515 -14.141 -12.072 215 HG SER 9 HG SER 9 -1.000 -15.355 -10.383 216 H HIS 10 H HIS 10 -3.208 -10.944 -11.497 217 HA HIS 10 HA HIS 10 -2.953 -10.569 -14.349 218 HB2 HIS 10 1HB HIS 10 -4.658 -9.598 -12.186 219 HB3 HIS 10 2HB HIS 10 -4.392 -8.283 -13.288 220 HD1 HIS 10 HD1 HIS 10 -5.580 -8.273 -15.541 221 HD2 HIS 10 HD2 HIS 10 -6.014 -11.886 -13.443 222 HE1 HIS 10 HE1 HIS 10 -7.333 -9.667 -16.800 223 HE2 HIS 10 HE2 HIS 10 -7.560 -11.860 -15.496 224 H LEU 11 H LEU 11 -1.657 -8.786 -11.571 225 HA LEU 11 HA LEU 11 -1.009 -6.392 -13.053 226 HB2 LEU 11 1HB LEU 11 -1.077 -7.129 -10.363 227 HB3 LEU 11 2HB LEU 11 0.653 -6.922 -10.691 228 HG LEU 11 HG LEU 11 -1.432 -4.776 -11.120 229 HD11 LEU 11 1HD1 LEU 11 -1.358 -5.220 -8.827 230 HD12 LEU 11 2HD1 LEU 11 -0.311 -3.799 -9.101 231 HD13 LEU 11 3HD1 LEU 11 0.414 -5.415 -8.841 232 HD21 LEU 11 3HD2 LEU 11 0.436 -3.207 -11.167 233 HD22 LEU 11 1HD2 LEU 11 0.577 -4.360 -12.532 234 HD23 LEU 11 2HD2 LEU 11 1.603 -4.542 -11.048 235 H VAL 12 H VAL 12 0.992 -9.171 -11.897 236 HA VAL 12 HA VAL 12 3.348 -8.086 -13.131 237 HB VAL 12 HB VAL 12 3.844 -9.611 -11.464 238 HG11 VAL 12 1HG1 VAL 12 1.592 -10.649 -11.225 239 HG12 VAL 12 2HG1 VAL 12 1.860 -11.661 -12.631 240 HG13 VAL 12 3HG1 VAL 12 2.845 -11.850 -11.156 241 HG21 VAL 12 3HG2 VAL 12 5.001 -11.483 -12.480 242 HG22 VAL 12 1HG2 VAL 12 3.922 -11.517 -13.886 243 HG23 VAL 12 2HG2 VAL 12 5.057 -10.190 -13.663 244 H GLU 13 H GLU 13 0.824 -10.338 -14.319 245 HA GLU 13 HA GLU 13 2.165 -10.746 -16.841 246 HB2 GLU 13 1HB GLU 13 -0.757 -10.782 -16.065 247 HB3 GLU 13 2HB GLU 13 -0.247 -11.126 -17.725 248 HG2 GLU 13 1HG GLU 13 1.184 -12.942 -16.908 249 HG3 GLU 13 2HG GLU 13 0.667 -12.613 -15.212 250 HE2 GLU 13 HE2 GLU 13 -0.172 -13.763 -18.225 251 H ALA 14 H ALA 14 -0.170 -8.143 -15.869 252 HA ALA 14 HA ALA 14 -0.220 -6.923 -18.433 253 HB1 ALA 14 3HB ALA 14 -0.911 -4.844 -17.207 254 HB2 ALA 14 1HB ALA 14 -1.841 -6.298 -16.803 255 HB3 ALA 14 2HB ALA 14 -0.591 -5.711 -15.673 256 H LEU 15 H LEU 15 2.067 -6.592 -15.776 257 HA LEU 15 HA LEU 15 3.412 -4.413 -17.066 258 HB2 LEU 15 1HB LEU 15 4.293 -6.378 -14.874 259 HB3 LEU 15 2HB LEU 15 5.258 -4.988 -15.427 260 HG LEU 15 HG LEU 15 2.504 -4.794 -14.103 261 HD11 LEU 15 1HD1 LEU 15 5.298 -4.200 -13.132 262 HD12 LEU 15 2HD1 LEU 15 4.238 -5.523 -12.561 263 HD13 LEU 15 3HD1 LEU 15 3.800 -3.822 -12.238 264 HD21 LEU 15 3HD2 LEU 15 3.072 -2.420 -14.087 265 HD22 LEU 15 1HD2 LEU 15 2.811 -3.051 -15.713 266 HD23 LEU 15 2HD2 LEU 15 4.467 -2.746 -15.130 267 H TYR 16 H TYR 16 3.817 -7.957 -17.135 268 HA TYR 16 HA TYR 16 6.350 -7.868 -18.620 269 HB2 TYR 16 1HB TYR 16 5.655 -9.883 -17.569 270 HB3 TYR 16 2HB TYR 16 4.101 -9.946 -18.369 271 HD1 TYR 16 HD2 TYR 16 3.945 -10.495 -20.738 272 HD2 TYR 16 HD1 TYR 16 7.636 -10.752 -18.609 273 HE1 TYR 16 HE2 TYR 16 4.763 -11.995 -22.483 274 HE2 TYR 16 HE1 TYR 16 8.575 -12.137 -20.480 275 HH TYR 16 HH TYR 16 8.153 -13.172 -22.611 276 H LEU 17 H LEU 17 2.927 -7.740 -19.545 277 HA LEU 17 HA LEU 17 3.382 -7.846 -22.405 278 HB2 LEU 17 1HB LEU 17 1.042 -7.033 -20.687 279 HB3 LEU 17 2HB LEU 17 0.984 -6.947 -22.469 280 HG LEU 17 HG LEU 17 1.431 -9.478 -20.866 281 HD11 LEU 17 1HD1 LEU 17 -1.047 -8.227 -22.121 282 HD12 LEU 17 2HD1 LEU 17 -0.723 -8.518 -20.404 283 HD13 LEU 17 3HD1 LEU 17 -0.960 -9.910 -21.477 284 HD21 LEU 17 3HD2 LEU 17 0.788 -9.077 -23.803 285 HD22 LEU 17 1HD2 LEU 17 0.876 -10.637 -22.968 286 HD23 LEU 17 2HD2 LEU 17 2.332 -9.634 -23.151 287 H VAL 18 H VAL 18 2.921 -5.098 -20.097 288 HA VAL 18 HA VAL 18 2.892 -3.281 -22.337 289 HB VAL 18 HB VAL 18 1.624 -3.054 -20.104 290 HG11 VAL 18 1HG1 VAL 18 4.160 -1.592 -19.264 291 HG12 VAL 18 2HG1 VAL 18 2.676 -1.895 -18.353 292 HG13 VAL 18 3HG1 VAL 18 3.747 -3.239 -18.703 293 HG21 VAL 18 3HG2 VAL 18 3.046 -0.697 -21.436 294 HG22 VAL 18 1HG2 VAL 18 1.488 -1.407 -21.840 295 HG23 VAL 18 2HG2 VAL 18 1.713 -0.558 -20.312 296 H CYS 19 H CYS 19 5.370 -4.414 -20.020 297 HA CYS 19 HA CYS 19 7.213 -2.245 -21.034 298 HB2 CYS 19 1HB CYS 19 7.469 -4.272 -18.793 299 HB3 CYS 19 2HB CYS 19 8.673 -3.033 -19.208 300 H GLY 20 H GLY 20 6.657 -5.669 -21.455 301 HA2 GLY 20 1HA GLY 20 7.664 -7.121 -22.878 302 HA3 GLY 20 2HA GLY 20 8.670 -5.819 -23.537 303 H GLU 21 H GLU 21 10.706 -6.793 -23.476 304 HA GLU 21 HA GLU 21 11.720 -8.571 -21.501 305 HB2 GLU 21 1HB GLU 21 13.145 -6.676 -23.356 306 HB3 GLU 21 2HB GLU 21 13.970 -7.899 -22.456 307 HG2 GLU 21 1HG GLU 21 12.492 -9.635 -23.540 308 HG3 GLU 21 2HG GLU 21 11.960 -8.359 -24.632 309 HE2 GLU 21 HE2 GLU 21 14.448 -9.777 -26.467 310 H ARG 22 H ARG 22 11.444 -5.128 -21.481 311 HA ARG 22 HA ARG 22 13.428 -4.766 -19.294 312 HB2 ARG 22 1HB ARG 22 11.836 -2.902 -21.076 313 HB3 ARG 22 2HB ARG 22 12.696 -2.288 -19.693 314 HG2 ARG 22 1HG ARG 22 14.750 -2.811 -20.491 315 HG3 ARG 22 2HG ARG 22 14.118 -3.918 -21.732 316 HD2 ARG 22 1HD ARG 22 13.631 -0.914 -21.712 317 HD3 ARG 22 2HD ARG 22 14.969 -1.719 -22.561 318 HE ARG 22 HE ARG 22 12.637 -3.030 -23.402 319 HH11 ARG 22 1HH1 ARG 22 14.113 0.083 -23.709 320 HH12 ARG 22 2HH1 ARG 22 13.330 0.470 -25.232 321 HH21 ARG 22 1HH2 ARG 22 11.606 -2.591 -25.358 322 HH22 ARG 22 2HH2 ARG 22 11.909 -1.055 -26.143 323 H GLY 23 H GLY 23 11.068 -6.393 -18.973 324 HA2 GLY 23 1HA GLY 23 8.937 -5.069 -17.598 325 HA3 GLY 23 2HA GLY 23 9.480 -6.742 -17.350 326 H PHE 24 H PHE 24 8.397 -5.238 -15.389 327 HA PHE 24 HA PHE 24 10.172 -3.858 -13.628 328 HB2 PHE 24 1HB PHE 24 8.342 -3.859 -12.203 329 HB3 PHE 24 2HB PHE 24 7.570 -4.014 -13.778 330 HD1 PHE 24 HD2 PHE 24 6.988 -6.409 -14.586 331 HD2 PHE 24 HD1 PHE 24 7.900 -5.466 -10.519 332 HE1 PHE 24 HE2 PHE 24 5.995 -8.557 -13.885 333 HE2 PHE 24 HE1 PHE 24 6.875 -7.579 -9.772 334 HZ PHE 24 HZ PHE 24 5.911 -9.181 -11.520 335 H PHE 25 H PHE 25 10.708 -4.657 -11.359 336 HA PHE 25 HA PHE 25 11.279 -7.602 -11.293 337 HB2 PHE 25 1HB PHE 25 13.322 -6.374 -11.991 338 HB3 PHE 25 2HB PHE 25 13.223 -5.440 -10.483 339 HD1 PHE 25 HD2 PHE 25 13.644 -6.582 -8.173 340 HD2 PHE 25 HD1 PHE 25 14.101 -8.713 -11.940 341 HE1 PHE 25 HE2 PHE 25 15.038 -8.312 -7.068 342 HE2 PHE 25 HE1 PHE 25 15.400 -10.522 -10.772 343 HZ PHE 25 HZ PHE 25 15.890 -10.244 -8.359 344 H NVA 26 H ARX 26 10.573 -8.593 -9.514 345 HA NVA 26 HA ARX 26 10.291 -6.957 -7.022 346 HB2 NVA 26 1HB ARX 26 7.979 -7.320 -8.096 347 HB3 NVA 26 2HB ARX 26 8.309 -9.068 -7.992 348 HG2 NVA 26 1HG ARX 26 8.488 -8.739 -5.416 349 HG3 NVA 26 2HG ARX 26 8.045 -7.054 -5.625 350 HD2 NVA 26 1HD ARX 26 5.834 -7.565 -6.004 351 HD3 NVA 26 2HD ARX 26 6.181 -9.046 -6.839 352 H THR 27 H THR 27 11.087 -7.708 -5.309 353 HA THR 27 HA THR 27 12.818 -10.023 -5.277 354 HB THR 27 HB THR 27 12.895 -9.501 -2.835 355 HG1 THR 27 HG1 THR 27 11.009 -8.542 -2.307 356 HG21 THR 27 1HG2 THR 27 13.426 -7.262 -4.796 357 HG22 THR 27 2HG2 THR 27 14.580 -8.461 -4.178 358 HG23 THR 27 3HG2 THR 27 13.911 -7.254 -3.089 359 HA PRO 28 HA PRO 28 10.104 -13.205 -4.283 360 HB2 PRO 28 1HB PRO 28 11.250 -14.622 -2.173 361 HB3 PRO 28 2HB PRO 28 11.787 -14.641 -3.862 362 HG2 PRO 28 1HG PRO 28 12.760 -13.004 -1.476 363 HG3 PRO 28 2HG PRO 28 13.736 -13.907 -2.648 364 HD2 PRO 28 1HD PRO 28 13.439 -11.289 -2.896 365 HD3 PRO 28 2HD PRO 28 13.558 -12.395 -4.271 366 H HIX 29 H HIX 29 8.176 -12.593 -3.684 367 HA HIX 29 HA HIX 29 7.427 -11.414 -1.224 368 HB1 HIX 29 1HB HIX 29 5.685 -12.927 -3.288 369 HB2 HIX 29 2HB HIX 29 5.092 -12.123 -1.852 370 HD2 HIX 29 HD2 HIX 29 6.368 -11.277 -5.432 371 HD1 HIX 29 HD1 HIX 29 5.380 -9.266 -1.798 372 H THR 30 H THR 30 6.627 -12.004 0.548 373 HA THR 30 HA THR 30 6.525 -14.742 1.449 374 HB THR 30 HB THR 30 8.105 -13.824 3.346 375 HG1 THR 30 HG1 THR 30 9.118 -12.419 1.092 376 HG21 THR 30 1HG2 THR 30 8.571 -15.797 1.805 377 HG22 THR 30 2HG2 THR 30 10.008 -14.849 2.330 378 HG23 THR 30 3HG2 THR 30 9.340 -14.609 0.711 379 HXT THR 30 H02 THR 30 4.925 -13.281 4.125 Start of MODEL 2 1 H1 GLY 1 2H0 GLY 1 1.355 1.016 0.295 2 H2 GLY 1 1H0 GLY 1 0.448 2.069 -0.589 3 HA2 GLY 1 1HA GLY 1 2.422 1.338 -1.840 4 HA3 GLY 1 2HA GLY 1 1.828 -0.320 -1.705 5 H ILE 2 H ILE 2 2.506 0.943 -4.115 6 HA ILE 2 HA ILE 2 0.131 2.045 -5.327 7 HB ILE 2 HB ILE 2 2.599 2.438 -5.987 8 HG12 ILE 2 1HG1 ILE 2 1.980 2.727 -8.417 9 HG13 ILE 2 2HG1 ILE 2 0.440 1.942 -8.067 10 HG21 ILE 2 1HG2 ILE 2 3.550 0.997 -7.721 11 HG22 ILE 2 2HG2 ILE 2 3.210 0.023 -6.278 12 HG23 ILE 2 3HG2 ILE 2 2.126 -0.060 -7.686 13 HD11 ILE 2 3HD1 ILE 2 -0.172 3.765 -6.524 14 HD12 ILE 2 1HD1 ILE 2 1.432 4.508 -6.747 15 HD13 ILE 2 2HD1 ILE 2 0.291 4.432 -8.102 16 H VAL 3 H VAL 3 1.172 -1.196 -4.759 17 HA VAL 3 HA VAL 3 -0.167 -2.534 -6.879 18 HB VAL 3 HB VAL 3 0.322 -3.446 -3.998 19 HG11 VAL 3 1HG1 VAL 3 -1.416 -4.840 -5.078 20 HG12 VAL 3 2HG1 VAL 3 -0.332 -5.102 -6.474 21 HG13 VAL 3 3HG1 VAL 3 0.099 -5.744 -4.872 22 HG21 VAL 3 3HG2 VAL 3 2.421 -2.887 -5.135 23 HG22 VAL 3 1HG2 VAL 3 2.294 -4.651 -4.986 24 HG23 VAL 3 2HG2 VAL 3 1.954 -3.857 -6.542 25 H GLU 4 H GLU 4 -1.330 -1.659 -3.567 26 HA GLU 4 HA GLU 4 -3.918 -2.792 -4.065 27 HB2 GLU 4 1HB GLU 4 -4.643 -1.741 -2.021 28 HB3 GLU 4 2HB GLU 4 -3.078 -2.513 -1.793 29 HG2 GLU 4 1HG GLU 4 -1.988 -0.325 -1.913 30 HG3 GLU 4 2HG GLU 4 -3.556 0.460 -2.146 31 HE2 GLU 4 HE2 GLU 4 -2.432 -0.850 1.392 32 H GLN 5 H GLN 5 -2.480 0.357 -4.791 33 HA GLN 5 HA GLN 5 -5.000 1.628 -5.369 34 HB2 GLN 5 1HB GLN 5 -2.137 2.212 -5.789 35 HB3 GLN 5 2HB GLN 5 -3.197 2.861 -7.043 36 HG2 GLN 5 1HG GLN 5 -3.440 3.359 -4.049 37 HG3 GLN 5 2HG GLN 5 -2.819 4.494 -5.261 38 HE21 GLN 5 2HE2 GLN 5 -5.245 4.394 -3.364 39 HE22 GLN 5 1HE2 GLN 5 -6.576 4.841 -4.398 40 H CYS 6 H CYS 6 -2.598 -0.094 -7.452 41 HA CYS 6 HA CYS 6 -4.109 0.258 -9.869 42 HB2 CYS 6 1HB CYS 6 -1.663 -0.424 -9.559 43 HB3 CYS 6 2HB CYS 6 -2.263 -2.033 -9.162 44 H CYS 7 H CYS 7 -4.341 -1.998 -7.180 45 HA CYS 7 HA CYS 7 -6.155 -3.806 -8.540 46 HB2 CYS 7 1HB CYS 7 -4.728 -4.384 -6.563 47 HB3 CYS 7 2HB CYS 7 -5.744 -3.337 -5.569 48 H THR 8 H THR 8 -6.689 -1.239 -6.037 49 HA THR 8 HA THR 8 -9.551 -1.693 -6.133 50 HB THR 8 HB THR 8 -8.215 -0.989 -4.083 51 HG1 THR 8 HG1 THR 8 -9.933 0.498 -3.426 52 HG21 THR 8 1HG2 THR 8 -8.513 1.838 -5.168 53 HG22 THR 8 2HG2 THR 8 -6.998 0.910 -5.319 54 HG23 THR 8 3HG2 THR 8 -7.649 1.291 -3.713 55 H SER 9 H SER 9 -7.394 0.509 -7.799 56 HA SER 9 HA SER 9 -9.735 2.062 -8.820 57 HB2 SER 9 1HB SER 9 -6.772 2.644 -8.995 58 HB3 SER 9 2HB SER 9 -8.085 3.721 -9.503 59 HG SER 9 HG SER 9 -6.988 3.842 -7.244 60 H ILE 10 H ILE 10 -9.385 2.694 -11.230 61 HA ILE 10 HA ILE 10 -8.815 0.194 -12.699 62 HB ILE 10 HB ILE 10 -9.899 2.937 -13.502 63 HG12 ILE 10 1HG1 ILE 10 -11.393 1.310 -12.253 64 HG13 ILE 10 2HG1 ILE 10 -12.003 1.879 -13.798 65 HG21 ILE 10 1HG2 ILE 10 -10.319 1.858 -15.777 66 HG22 ILE 10 2HG2 ILE 10 -8.632 2.258 -15.401 67 HG23 ILE 10 3HG2 ILE 10 -9.191 0.576 -15.271 68 HD11 ILE 10 3HD1 ILE 10 -12.429 -0.533 -13.452 69 HD12 ILE 10 1HD1 ILE 10 -11.463 -0.224 -14.893 70 HD13 ILE 10 2HD1 ILE 10 -10.675 -0.825 -13.407 71 H CYS 11 H CYS 11 -6.865 -0.223 -13.474 72 HA CYS 11 HA CYS 11 -4.794 1.841 -13.297 73 HB2 CYS 11 1HB CYS 11 -4.926 -0.939 -12.959 74 HB3 CYS 11 2HB CYS 11 -3.988 -0.711 -14.435 75 H SER 12 H SER 12 -3.408 2.401 -15.012 76 HA SER 12 HA SER 12 -4.527 1.982 -17.756 77 HB2 SER 12 1HB SER 12 -3.410 4.560 -16.642 78 HB3 SER 12 2HB SER 12 -4.146 4.313 -18.240 79 HG SER 12 HG SER 12 -5.426 4.031 -15.714 80 H LEU 13 H LEU 13 -3.039 2.552 -19.488 81 HA LEU 13 HA LEU 13 -0.707 1.027 -19.389 82 HB2 LEU 13 1HB LEU 13 -1.566 3.352 -21.144 83 HB3 LEU 13 2HB LEU 13 -0.033 2.536 -21.407 84 HG LEU 13 HG LEU 13 -2.690 1.100 -21.479 85 HD11 LEU 13 1HD1 LEU 13 -1.046 2.289 -23.744 86 HD12 LEU 13 2HD1 LEU 13 -2.648 2.831 -23.209 87 HD13 LEU 13 3HD1 LEU 13 -2.458 1.231 -23.941 88 HD21 LEU 13 3HD2 LEU 13 0.128 0.396 -22.385 89 HD22 LEU 13 1HD2 LEU 13 -1.321 -0.551 -22.795 90 HD23 LEU 13 2HD2 LEU 13 -0.820 -0.397 -21.110 91 H TYR 14 H TYR 14 -0.997 4.569 -18.939 92 HA TYR 14 HA TYR 14 1.799 5.052 -19.008 93 HB2 TYR 14 1HB TYR 14 0.212 6.807 -17.233 94 HB3 TYR 14 2HB TYR 14 1.232 7.201 -18.634 95 HD1 TYR 14 HD1 TYR 14 0.290 6.627 -20.991 96 HD2 TYR 14 HD2 TYR 14 -2.147 6.787 -17.446 97 HE1 TYR 14 HE1 TYR 14 -1.740 6.818 -22.393 98 HE2 TYR 14 HE2 TYR 14 -4.186 6.995 -18.857 99 HH TYR 14 HH TYR 14 -4.032 7.036 -22.422 100 H GLN 15 H GLN 15 -0.450 4.353 -16.366 101 HA GLN 15 HA GLN 15 1.405 4.743 -14.232 102 HB2 GLN 15 1HB GLN 15 -1.039 2.931 -14.372 103 HB3 GLN 15 2HB GLN 15 -0.234 3.460 -12.895 104 HG2 GLN 15 1HG GLN 15 -0.857 5.797 -13.375 105 HG3 GLN 15 2HG GLN 15 -1.622 5.290 -14.884 106 HE21 GLN 15 2HE2 GLN 15 -2.210 6.020 -11.696 107 HE22 GLN 15 1HE2 GLN 15 -3.744 5.193 -11.525 108 H LEU 16 H LEU 16 0.399 1.901 -16.157 109 HA LEU 16 HA LEU 16 2.017 0.041 -14.720 110 HB2 LEU 16 1HB LEU 16 1.050 0.075 -17.598 111 HB3 LEU 16 2HB LEU 16 1.845 -1.286 -16.846 112 HG LEU 16 HG LEU 16 -0.827 -0.146 -15.999 113 HD11 LEU 16 1HD1 LEU 16 -0.876 -1.254 -18.170 114 HD12 LEU 16 2HD1 LEU 16 -1.683 -2.253 -16.949 115 HD13 LEU 16 3HD1 LEU 16 -0.047 -2.669 -17.487 116 HD21 LEU 16 3HD2 LEU 16 0.394 -1.179 -14.091 117 HD22 LEU 16 1HD2 LEU 16 0.573 -2.673 -15.034 118 HD23 LEU 16 2HD2 LEU 16 -1.040 -2.092 -14.555 119 H GLU 17 H GLU 17 2.712 2.041 -17.626 120 HA GLU 17 HA GLU 17 5.315 0.951 -18.066 121 HB2 GLU 17 1HB GLU 17 4.035 3.600 -18.772 122 HB3 GLU 17 2HB GLU 17 5.684 3.179 -19.256 123 HG2 GLU 17 1HG GLU 17 4.900 1.287 -20.545 124 HG3 GLU 17 2HG GLU 17 3.254 1.499 -19.954 125 HE2 GLU 17 HE2 GLU 17 5.222 2.007 -22.292 126 H ASN 18 H ASN 18 4.145 3.518 -15.888 127 HA ASN 18 HA ASN 18 6.742 4.486 -15.176 128 HB2 ASN 18 1HB ASN 18 4.067 4.524 -13.745 129 HB3 ASN 18 2HB ASN 18 5.515 5.319 -13.135 130 HD21 ASN 18 2HD2 ASN 18 3.110 6.642 -13.755 131 HD22 ASN 18 1HD2 ASN 18 3.456 7.752 -15.059 132 H TYR 19 H TYR 19 5.240 1.455 -14.461 133 HA TYR 19 HA TYR 19 6.781 1.170 -11.919 134 HB2 TYR 19 1HB TYR 19 5.078 -0.904 -13.359 135 HB3 TYR 19 2HB TYR 19 5.684 -0.985 -11.700 136 HD1 TYR 19 HD2 TYR 19 4.895 2.154 -11.236 137 HD2 TYR 19 HD1 TYR 19 2.781 -1.350 -12.571 138 HE1 TYR 19 HE2 TYR 19 2.732 3.147 -10.483 139 HE2 TYR 19 HE1 TYR 19 0.635 -0.344 -11.830 140 HH TYR 19 HH TYR 19 -0.395 1.420 -10.912 141 H CYS 20 H CYS 20 7.397 1.029 -15.164 142 HA CYS 20 HA CYS 20 9.203 -1.339 -15.002 143 HB2 CYS 20 1HB CYS 20 8.141 0.210 -17.374 144 HB3 CYS 20 2HB CYS 20 9.216 -1.175 -17.472 145 H ASN 21 H ASN 21 11.093 -1.157 -16.543 146 HA ASN 21 HA ASN 21 12.817 0.982 -15.644 147 HB2 ASN 21 1HB ASN 21 13.164 -1.593 -16.601 148 HB3 ASN 21 2HB ASN 21 13.701 -0.637 -17.981 149 HD21 ASN 21 2HD2 ASN 21 14.306 -1.654 -14.731 150 HD22 ASN 21 1HD2 ASN 21 15.856 -0.871 -14.549 151 HXT ASN 21 H02 ASN 21 12.305 3.268 -17.978 152 H1 PHE 1 2H0 PHE 1 -4.337 -2.650 -26.085 153 H2 PHE 1 1H0 PHE 1 -5.985 -2.661 -26.116 154 HA PHE 1 HA PHE 1 -5.005 -3.362 -23.929 155 HB2 PHE 1 1HB PHE 1 -3.171 -1.697 -24.135 156 HB3 PHE 1 2HB PHE 1 -4.327 -0.385 -23.924 157 HD1 PHE 1 HD2 PHE 1 -5.373 0.039 -21.703 158 HD2 PHE 1 HD1 PHE 1 -2.446 -3.094 -22.277 159 HE1 PHE 1 HE2 PHE 1 -5.046 -0.135 -19.254 160 HE2 PHE 1 HE1 PHE 1 -2.116 -3.238 -19.839 161 HZ PHE 1 HZ PHE 1 -3.441 -1.767 -18.314 162 H VAL 2 H VAL 2 -6.301 -3.448 -22.216 163 HA VAL 2 HA VAL 2 -8.705 -1.687 -22.310 164 HB VAL 2 HB VAL 2 -9.475 -3.892 -22.784 165 HG11 VAL 2 1HG1 VAL 2 -8.940 -5.886 -21.385 166 HG12 VAL 2 2HG1 VAL 2 -7.511 -5.232 -22.199 167 HG13 VAL 2 3HG1 VAL 2 -7.773 -4.926 -20.455 168 HG21 VAL 2 3HG2 VAL 2 -9.883 -3.529 -19.781 169 HG22 VAL 2 1HG2 VAL 2 -10.777 -2.674 -21.061 170 HG23 VAL 2 2HG2 VAL 2 -10.922 -4.432 -20.910 171 H ASN 3 H ASN 3 -8.777 -0.222 -20.764 172 HA ASN 3 HA ASN 3 -7.028 -0.283 -18.478 173 HB2 ASN 3 1HB ASN 3 -9.578 1.323 -18.999 174 HB3 ASN 3 2HB ASN 3 -8.385 1.654 -17.736 175 HD21 ASN 3 2HD2 ASN 3 -6.780 3.016 -18.199 176 HD22 ASN 3 1HD2 ASN 3 -6.385 3.551 -19.815 177 H GLN 4 H GLN 4 -7.344 -1.407 -16.596 178 HA GLN 4 HA GLN 4 -10.071 -2.012 -15.695 179 HB2 GLN 4 1HB GLN 4 -9.791 -4.428 -15.710 180 HB3 GLN 4 2HB GLN 4 -9.665 -3.803 -17.353 181 HG2 GLN 4 1HG GLN 4 -7.275 -4.111 -17.380 182 HG3 GLN 4 2HG GLN 4 -7.242 -4.435 -15.643 183 HE21 GLN 4 2HE2 GLN 4 -8.283 -6.352 -14.832 184 HE22 GLN 4 1HE2 GLN 4 -8.400 -7.753 -15.878 185 H HIS 5 H HIS 5 -9.976 -3.450 -13.693 186 HA HIS 5 HA HIS 5 -7.977 -2.433 -11.810 187 HB2 HIS 5 1HB HIS 5 -10.135 -4.581 -11.619 188 HB3 HIS 5 2HB HIS 5 -9.116 -4.090 -10.270 189 HD1 HIS 5 HD1 HIS 5 -9.329 -1.498 -9.511 190 HD2 HIS 5 HD2 HIS 5 -12.409 -2.972 -11.939 191 HE1 HIS 5 HE1 HIS 5 -11.261 0.138 -9.326 192 HE2 HIS 5 HE2 HIS 5 -13.138 -0.798 -10.747 193 H LEU 6 H LEU 6 -6.114 -3.495 -11.154 194 HA LEU 6 HA LEU 6 -5.664 -6.256 -12.254 195 HB2 LEU 6 1HB LEU 6 -3.773 -3.895 -12.312 196 HB3 LEU 6 2HB LEU 6 -3.302 -5.544 -12.683 197 HG LEU 6 HG LEU 6 -5.356 -3.981 -14.284 198 HD11 LEU 6 1HD1 LEU 6 -2.391 -4.379 -14.771 199 HD12 LEU 6 2HD1 LEU 6 -3.208 -2.857 -14.359 200 HD13 LEU 6 3HD1 LEU 6 -3.545 -3.641 -15.910 201 HD21 LEU 6 3HD2 LEU 6 -3.777 -6.510 -14.919 202 HD22 LEU 6 1HD2 LEU 6 -4.886 -5.673 -16.018 203 HD23 LEU 6 2HD2 LEU 6 -5.517 -6.427 -14.542 204 H CYS 7 H CYS 7 -5.321 -7.578 -10.560 205 HA CYS 7 HA CYS 7 -3.821 -6.482 -8.219 206 HB2 CYS 7 1HB CYS 7 -6.001 -8.578 -8.100 207 HB3 CYS 7 2HB CYS 7 -5.280 -7.697 -6.747 208 H GLY 8 H GLY 8 -2.369 -7.953 -7.226 209 HA2 GLY 8 1HA GLY 8 -0.949 -9.763 -7.153 210 HA3 GLY 8 2HA GLY 8 -2.371 -10.710 -7.545 211 H SER 9 H SER 9 -1.877 -12.136 -9.018 212 HA SER 9 HA SER 9 0.287 -12.058 -10.780 213 HB2 SER 9 1HB SER 9 -2.269 -13.452 -11.522 214 HB3 SER 9 2HB SER 9 -0.594 -14.049 -11.584 215 HG SER 9 HG SER 9 -0.734 -14.627 -9.539 216 H HIS 10 H HIS 10 -2.910 -10.560 -11.196 217 HA HIS 10 HA HIS 10 -2.719 -10.391 -14.098 218 HB2 HIS 10 1HB HIS 10 -4.380 -9.018 -11.980 219 HB3 HIS 10 2HB HIS 10 -4.331 -8.385 -13.618 220 HD1 HIS 10 HD1 HIS 10 -6.797 -8.950 -14.163 221 HD2 HIS 10 HD2 HIS 10 -4.462 -12.265 -13.111 222 HE1 HIS 10 HE1 HIS 10 -8.162 -11.019 -14.744 223 HE2 HIS 10 HE2 HIS 10 -6.735 -13.011 -14.107 224 H LEU 11 H LEU 11 -1.602 -8.411 -11.392 225 HA LEU 11 HA LEU 11 -1.108 -6.052 -12.944 226 HB2 LEU 11 1HB LEU 11 -1.018 -6.811 -10.272 227 HB3 LEU 11 2HB LEU 11 0.672 -6.492 -10.653 228 HG LEU 11 HG LEU 11 -1.588 -4.528 -11.131 229 HD11 LEU 11 1HD1 LEU 11 0.326 -4.878 -8.807 230 HD12 LEU 11 2HD1 LEU 11 -1.452 -5.011 -8.790 231 HD13 LEU 11 3HD1 LEU 11 -0.675 -3.438 -9.072 232 HD21 LEU 11 3HD2 LEU 11 0.232 -2.841 -11.187 233 HD22 LEU 11 1HD2 LEU 11 0.369 -4.034 -12.507 234 HD23 LEU 11 2HD2 LEU 11 1.440 -4.157 -11.087 235 H VAL 12 H VAL 12 1.050 -8.695 -11.796 236 HA VAL 12 HA VAL 12 3.317 -7.643 -13.194 237 HB VAL 12 HB VAL 12 4.398 -9.834 -12.755 238 HG11 VAL 12 1HG1 VAL 12 4.317 -8.000 -11.051 239 HG12 VAL 12 2HG1 VAL 12 2.867 -8.751 -10.353 240 HG13 VAL 12 3HG1 VAL 12 4.414 -9.617 -10.332 241 HG21 VAL 12 3HG2 VAL 12 2.433 -11.330 -12.991 242 HG22 VAL 12 1HG2 VAL 12 3.251 -11.558 -11.429 243 HG23 VAL 12 2HG2 VAL 12 1.741 -10.636 -11.507 244 H GLU 13 H GLU 13 0.742 -9.866 -14.218 245 HA GLU 13 HA GLU 13 2.100 -10.696 -16.631 246 HB2 GLU 13 1HB GLU 13 -0.785 -10.572 -15.741 247 HB3 GLU 13 2HB GLU 13 -0.360 -11.071 -17.379 248 HG2 GLU 13 1HG GLU 13 0.850 -12.977 -16.606 249 HG3 GLU 13 2HG GLU 13 0.809 -12.412 -14.934 250 HE2 GLU 13 HE2 GLU 13 0.075 -14.752 -15.676 251 H ALA 14 H ALA 14 -0.092 -7.963 -15.794 252 HA ALA 14 HA ALA 14 -0.276 -6.999 -18.485 253 HB1 ALA 14 3HB ALA 14 -0.470 -5.459 -15.864 254 HB2 ALA 14 1HB ALA 14 -1.060 -4.931 -17.455 255 HB3 ALA 14 2HB ALA 14 -1.809 -6.325 -16.656 256 H LEU 15 H LEU 15 2.028 -6.387 -15.801 257 HA LEU 15 HA LEU 15 3.473 -4.355 -17.230 258 HB2 LEU 15 1HB LEU 15 4.340 -6.198 -14.986 259 HB3 LEU 15 2HB LEU 15 5.278 -4.825 -15.587 260 HG LEU 15 HG LEU 15 2.515 -4.637 -14.355 261 HD11 LEU 15 1HD1 LEU 15 4.334 -5.232 -12.730 262 HD12 LEU 15 2HD1 LEU 15 3.557 -3.670 -12.419 263 HD13 LEU 15 3HD1 LEU 15 5.150 -3.724 -13.190 264 HD21 LEU 15 3HD2 LEU 15 2.853 -2.924 -15.992 265 HD22 LEU 15 1HD2 LEU 15 4.453 -2.533 -15.311 266 HD23 LEU 15 2HD2 LEU 15 2.980 -2.222 -14.379 267 H TYR 16 H TYR 16 3.886 -7.881 -17.025 268 HA TYR 16 HA TYR 16 6.315 -7.997 -18.521 269 HB2 TYR 16 1HB TYR 16 5.546 -9.959 -17.388 270 HB3 TYR 16 2HB TYR 16 3.971 -9.892 -18.173 271 HD1 TYR 16 HD2 TYR 16 7.611 -10.429 -18.937 272 HD2 TYR 16 HD1 TYR 16 3.538 -11.051 -20.187 273 HE1 TYR 16 HE2 TYR 16 8.401 -11.924 -20.770 274 HE2 TYR 16 HE1 TYR 16 4.335 -12.534 -22.024 275 HH TYR 16 HH TYR 16 6.143 -13.473 -23.066 276 H LEU 17 H LEU 17 2.861 -7.985 -19.557 277 HA LEU 17 HA LEU 17 3.525 -8.201 -22.347 278 HB2 LEU 17 1HB LEU 17 1.057 -7.196 -20.899 279 HB3 LEU 17 2HB LEU 17 1.149 -7.375 -22.652 280 HG LEU 17 HG LEU 17 1.557 -9.674 -20.727 281 HD11 LEU 17 1HD1 LEU 17 -0.695 -8.769 -20.443 282 HD12 LEU 17 2HD1 LEU 17 -0.761 -10.328 -21.303 283 HD13 LEU 17 3HD1 LEU 17 -0.952 -8.800 -22.213 284 HD21 LEU 17 3HD2 LEU 17 0.996 -9.610 -23.716 285 HD22 LEU 17 1HD2 LEU 17 1.087 -11.074 -22.718 286 HD23 LEU 17 2HD2 LEU 17 2.532 -10.066 -22.952 287 H VAL 18 H VAL 18 2.879 -5.351 -20.253 288 HA VAL 18 HA VAL 18 2.811 -3.599 -22.552 289 HB VAL 18 HB VAL 18 1.569 -3.316 -20.301 290 HG11 VAL 18 1HG1 VAL 18 2.526 -2.356 -18.496 291 HG12 VAL 18 2HG1 VAL 18 3.842 -3.403 -19.026 292 HG13 VAL 18 3HG1 VAL 18 3.882 -1.667 -19.397 293 HG21 VAL 18 3HG2 VAL 18 1.547 -0.873 -20.521 294 HG22 VAL 18 1HG2 VAL 18 3.020 -0.935 -21.504 295 HG23 VAL 18 2HG2 VAL 18 1.508 -1.663 -22.106 296 H CYS 19 H CYS 19 5.399 -4.674 -20.420 297 HA CYS 19 HA CYS 19 7.168 -2.582 -21.654 298 HB2 CYS 19 1HB CYS 19 7.429 -4.020 -19.020 299 HB3 CYS 19 2HB CYS 19 8.556 -2.803 -19.642 300 H GLY 20 H GLY 20 6.802 -6.056 -21.306 301 HA2 GLY 20 1HA GLY 20 7.991 -7.743 -22.281 302 HA3 GLY 20 2HA GLY 20 8.756 -6.510 -23.295 303 H GLU 21 H GLU 21 10.819 -6.837 -23.306 304 HA GLU 21 HA GLU 21 12.292 -8.089 -21.187 305 HB2 GLU 21 1HB GLU 21 13.227 -6.455 -23.567 306 HB3 GLU 21 2HB GLU 21 14.289 -7.386 -22.494 307 HG2 GLU 21 1HG GLU 21 13.064 -9.459 -23.131 308 HG3 GLU 21 2HG GLU 21 12.089 -8.514 -24.268 309 HE2 GLU 21 HE2 GLU 21 14.707 -9.912 -26.153 310 H ARG 22 H ARG 22 11.145 -4.884 -21.424 311 HA ARG 22 HA ARG 22 13.306 -3.949 -19.566 312 HB2 ARG 22 1HB ARG 22 11.421 -2.283 -21.267 313 HB3 ARG 22 2HB ARG 22 12.707 -1.677 -20.218 314 HG2 ARG 22 1HG ARG 22 14.174 -3.362 -21.756 315 HG3 ARG 22 2HG ARG 22 12.888 -2.965 -22.912 316 HD2 ARG 22 1HD ARG 22 14.616 -1.368 -23.257 317 HD3 ARG 22 2HD ARG 22 13.335 -0.509 -22.370 318 HE ARG 22 HE ARG 22 15.128 -1.614 -20.471 319 HH11 ARG 22 1HH1 ARG 22 15.199 0.886 -22.964 320 HH12 ARG 22 2HH1 ARG 22 16.421 1.814 -22.131 321 HH21 ARG 22 1HH2 ARG 22 16.676 -0.369 -19.455 322 HH22 ARG 22 2HH2 ARG 22 17.232 1.112 -20.178 323 H GLY 23 H GLY 23 10.991 -5.640 -18.957 324 HA2 GLY 23 1HA GLY 23 8.925 -4.200 -17.738 325 HA3 GLY 23 2HA GLY 23 9.423 -5.830 -17.333 326 H PHE 24 H PHE 24 8.399 -4.834 -15.407 327 HA PHE 24 HA PHE 24 9.759 -2.990 -13.737 328 HB2 PHE 24 1HB PHE 24 8.129 -3.653 -12.100 329 HB3 PHE 24 2HB PHE 24 7.321 -3.613 -13.665 330 HD1 PHE 24 HD2 PHE 24 7.069 -5.896 -14.934 331 HD2 PHE 24 HD1 PHE 24 8.029 -5.586 -10.754 332 HE1 PHE 24 HE2 PHE 24 6.354 -8.244 -14.610 333 HE2 PHE 24 HE1 PHE 24 7.325 -7.957 -10.430 334 HZ PHE 24 HZ PHE 24 6.514 -9.297 -12.361 335 H PHE 25 H PHE 25 10.361 -3.599 -11.511 336 HA PHE 25 HA PHE 25 11.729 -6.249 -11.322 337 HB2 PHE 25 1HB PHE 25 13.489 -4.569 -11.634 338 HB3 PHE 25 2HB PHE 25 12.746 -3.536 -10.410 339 HD1 PHE 25 HD2 PHE 25 14.539 -6.757 -10.905 340 HD2 PHE 25 HD1 PHE 25 13.130 -3.846 -8.074 341 HE1 PHE 25 HE2 PHE 25 15.874 -7.852 -9.111 342 HE2 PHE 25 HE1 PHE 25 14.457 -4.940 -6.279 343 HZ PHE 25 HZ PHE 25 15.821 -6.951 -6.791 344 H NVA 26 H ARX 26 11.223 -7.320 -9.571 345 HA NVA 26 HA ARX 26 9.787 -5.978 -7.339 346 HB2 NVA 26 1HB ARX 26 8.511 -7.838 -8.718 347 HB3 NVA 26 2HB ARX 26 9.624 -8.981 -7.972 348 HG2 NVA 26 1HG ARX 26 8.819 -8.157 -5.686 349 HG3 NVA 26 2HG ARX 26 7.673 -7.098 -6.498 350 HD2 NVA 26 1HD ARX 26 6.183 -8.801 -6.697 351 HD3 NVA 26 2HD ARX 26 7.369 -9.814 -7.539 352 H THR 27 H THR 27 10.442 -6.284 -5.323 353 HA THR 27 HA THR 27 13.191 -6.975 -4.743 354 HB THR 27 HB THR 27 12.293 -6.923 -2.333 355 HG1 THR 27 HG1 THR 27 10.085 -7.429 -3.050 356 HG21 THR 27 1HG2 THR 27 11.671 -4.519 -4.105 357 HG22 THR 27 2HG2 THR 27 13.268 -4.911 -3.416 358 HG23 THR 27 3HG2 THR 27 11.914 -4.488 -2.347 359 HA PRO 28 HA PRO 28 12.605 -11.248 -4.563 360 HB2 PRO 28 1HB PRO 28 14.186 -12.191 -2.536 361 HB3 PRO 28 2HB PRO 28 14.843 -11.523 -4.061 362 HG2 PRO 28 1HG PRO 28 14.467 -10.131 -1.404 363 HG3 PRO 28 2HG PRO 28 15.921 -10.192 -2.453 364 HD2 PRO 28 1HD PRO 28 14.236 -8.092 -2.513 365 HD3 PRO 28 2HD PRO 28 15.004 -8.700 -4.019 366 H HIX 29 H HIX 29 10.589 -11.784 -4.124 367 HA HIX 29 HA HIX 29 9.139 -11.593 -1.686 368 HB1 HIX 29 1HB HIX 29 8.773 -13.520 -4.049 369 HB2 HIX 29 2HB HIX 29 7.608 -13.340 -2.744 370 HD2 HIX 29 HD2 HIX 29 8.911 -11.447 -5.915 371 HD1 HIX 29 HD1 HIX 29 6.168 -10.929 -2.746 372 H THR 30 H THR 30 9.879 -12.343 0.148 373 HA THR 30 HA THR 30 10.634 -15.199 0.507 374 HB THR 30 HB THR 30 12.630 -14.341 1.917 375 HG1 THR 30 HG1 THR 30 12.259 -12.042 0.212 376 HG21 THR 30 1HG2 THR 30 14.175 -14.153 -0.008 377 HG22 THR 30 2HG2 THR 30 12.830 -13.805 -1.109 378 HG23 THR 30 3HG2 THR 30 12.971 -15.400 -0.362 379 HXT THR 30 H02 THR 30 9.681 -14.824 3.730 Start of MODEL 3 1 H1 GLY 1 2H0 GLY 1 -0.836 0.850 -0.547 2 H2 GLY 1 1H0 GLY 1 -0.715 -0.790 -0.538 3 HA2 GLY 1 1HA GLY 1 1.497 1.037 -1.319 4 HA3 GLY 1 2HA GLY 1 1.496 -0.723 -1.467 5 H ILE 2 H ILE 2 2.293 0.395 -3.619 6 HA ILE 2 HA ILE 2 0.342 1.460 -5.385 7 HB ILE 2 HB ILE 2 2.893 1.633 -5.615 8 HG12 ILE 2 1HG1 ILE 2 2.871 1.487 -8.146 9 HG13 ILE 2 2HG1 ILE 2 1.254 0.790 -8.042 10 HG21 ILE 2 1HG2 ILE 2 3.419 -0.794 -5.326 11 HG22 ILE 2 2HG2 ILE 2 2.669 -1.154 -6.895 12 HG23 ILE 2 3HG2 ILE 2 4.122 -0.123 -6.809 13 HD11 ILE 2 3HD1 ILE 2 1.246 3.222 -8.537 14 HD12 ILE 2 1HD1 ILE 2 0.381 2.849 -7.038 15 HD13 ILE 2 2HD1 ILE 2 2.024 3.541 -6.981 16 H VAL 3 H VAL 3 1.143 -1.870 -4.580 17 HA VAL 3 HA VAL 3 -0.186 -3.133 -6.770 18 HB VAL 3 HB VAL 3 0.092 -4.041 -3.856 19 HG11 VAL 3 1HG1 VAL 3 -0.596 -5.680 -6.329 20 HG12 VAL 3 2HG1 VAL 3 -0.260 -6.344 -4.716 21 HG13 VAL 3 3HG1 VAL 3 -1.697 -5.326 -4.980 22 HG21 VAL 3 3HG2 VAL 3 1.801 -4.628 -6.320 23 HG22 VAL 3 1HG2 VAL 3 2.276 -3.659 -4.896 24 HG23 VAL 3 2HG2 VAL 3 1.988 -5.397 -4.727 25 H GLU 4 H GLU 4 -1.323 -2.081 -3.551 26 HA GLU 4 HA GLU 4 -4.022 -2.927 -3.938 27 HB2 GLU 4 1HB GLU 4 -2.493 -1.424 -1.980 28 HB3 GLU 4 2HB GLU 4 -4.077 -0.704 -2.228 29 HG2 GLU 4 1HG GLU 4 -5.176 -2.824 -1.741 30 HG3 GLU 4 2HG GLU 4 -3.596 -3.624 -1.586 31 HE2 GLU 4 HE2 GLU 4 -5.938 -2.628 0.041 32 H GLN 5 H GLN 5 -2.316 0.155 -4.647 33 HA GLN 5 HA GLN 5 -4.691 1.596 -5.361 34 HB2 GLN 5 1HB GLN 5 -1.802 1.869 -6.242 35 HB3 GLN 5 2HB GLN 5 -3.072 3.003 -6.711 36 HG2 GLN 5 1HG GLN 5 -3.484 3.557 -4.368 37 HG3 GLN 5 2HG GLN 5 -2.270 2.383 -3.853 38 HE21 GLN 5 2HE2 GLN 5 -2.830 5.581 -4.993 39 HE22 GLN 5 1HE2 GLN 5 -1.165 6.074 -5.046 40 H CYS 6 H CYS 6 -2.443 -0.422 -7.325 41 HA CYS 6 HA CYS 6 -3.856 0.110 -9.794 42 HB2 CYS 6 1HB CYS 6 -1.460 -0.759 -9.378 43 HB3 CYS 6 2HB CYS 6 -2.194 -2.332 -9.143 44 H CYS 7 H CYS 7 -4.323 -2.133 -7.131 45 HA CYS 7 HA CYS 7 -6.167 -3.854 -8.569 46 HB2 CYS 7 1HB CYS 7 -4.848 -4.549 -6.571 47 HB3 CYS 7 2HB CYS 7 -5.776 -3.414 -5.587 48 H THR 8 H THR 8 -6.614 -1.235 -6.099 49 HA THR 8 HA THR 8 -9.505 -1.496 -6.334 50 HB THR 8 HB THR 8 -8.293 -0.950 -4.196 51 HG1 THR 8 HG1 THR 8 -10.355 0.741 -5.179 52 HG21 THR 8 1HG2 THR 8 -8.187 1.941 -5.197 53 HG22 THR 8 2HG2 THR 8 -6.785 0.858 -5.304 54 HG23 THR 8 3HG2 THR 8 -7.481 1.236 -3.727 55 H SER 9 H SER 9 -7.171 0.408 -8.025 56 HA SER 9 HA SER 9 -9.385 2.137 -9.074 57 HB2 SER 9 1HB SER 9 -7.461 3.302 -7.869 58 HB3 SER 9 2HB SER 9 -6.434 2.731 -9.207 59 HG SER 9 HG SER 9 -7.281 4.845 -9.552 60 H ILE 10 H ILE 10 -8.913 2.761 -11.443 61 HA ILE 10 HA ILE 10 -8.372 0.247 -12.905 62 HB ILE 10 HB ILE 10 -9.353 3.039 -13.726 63 HG12 ILE 10 1HG1 ILE 10 -10.970 1.455 -12.587 64 HG13 ILE 10 2HG1 ILE 10 -11.452 2.022 -14.177 65 HG21 ILE 10 1HG2 ILE 10 -9.726 1.986 -16.014 66 HG22 ILE 10 2HG2 ILE 10 -8.049 2.361 -15.592 67 HG23 ILE 10 3HG2 ILE 10 -8.622 0.683 -15.498 68 HD11 ILE 10 3HD1 ILE 10 -11.980 -0.378 -13.862 69 HD12 ILE 10 1HD1 ILE 10 -10.845 -0.121 -15.198 70 HD13 ILE 10 2HD1 ILE 10 -10.251 -0.702 -13.640 71 H CYS 11 H CYS 11 -6.415 -0.217 -13.658 72 HA CYS 11 HA CYS 11 -4.314 1.829 -13.473 73 HB2 CYS 11 1HB CYS 11 -4.497 -1.012 -13.203 74 HB3 CYS 11 2HB CYS 11 -3.337 -0.652 -14.476 75 H SER 12 H SER 12 -3.703 3.014 -15.122 76 HA SER 12 HA SER 12 -4.568 2.261 -17.864 77 HB2 SER 12 1HB SER 12 -3.339 4.833 -16.853 78 HB3 SER 12 2HB SER 12 -4.150 4.565 -18.407 79 HG SER 12 HG SER 12 -5.261 4.676 -15.793 80 H LEU 13 H LEU 13 -3.050 2.745 -19.657 81 HA LEU 13 HA LEU 13 -0.786 1.129 -19.546 82 HB2 LEU 13 1HB LEU 13 -1.600 3.407 -21.348 83 HB3 LEU 13 2HB LEU 13 -0.061 2.603 -21.582 84 HG LEU 13 HG LEU 13 -2.726 1.156 -21.635 85 HD11 LEU 13 1HD1 LEU 13 -2.494 1.266 -24.096 86 HD12 LEU 13 2HD1 LEU 13 -1.047 2.292 -23.929 87 HD13 LEU 13 3HD1 LEU 13 -2.644 2.888 -23.388 88 HD21 LEU 13 3HD2 LEU 13 0.116 0.428 -22.509 89 HD22 LEU 13 1HD2 LEU 13 -1.335 -0.517 -22.915 90 HD23 LEU 13 2HD2 LEU 13 -0.864 -0.340 -21.237 91 H TYR 14 H TYR 14 -0.955 4.656 -19.164 92 HA TYR 14 HA TYR 14 1.856 5.067 -19.174 93 HB2 TYR 14 1HB TYR 14 0.217 6.913 -17.554 94 HB3 TYR 14 2HB TYR 14 1.311 7.249 -18.905 95 HD1 TYR 14 HD2 TYR 14 0.440 6.570 -21.299 96 HD2 TYR 14 HD1 TYR 14 -2.119 6.960 -17.859 97 HE1 TYR 14 HE2 TYR 14 -1.522 6.730 -22.784 98 HE2 TYR 14 HE1 TYR 14 -4.098 7.113 -19.355 99 HH TYR 14 HH TYR 14 -3.774 6.993 -22.928 100 H GLN 15 H GLN 15 -0.501 4.478 -16.590 101 HA GLN 15 HA GLN 15 1.274 4.988 -14.417 102 HB2 GLN 15 1HB GLN 15 -1.130 3.159 -14.528 103 HB3 GLN 15 2HB GLN 15 -0.376 3.751 -13.058 104 HG2 GLN 15 1HG GLN 15 -0.995 6.063 -13.704 105 HG3 GLN 15 2HG GLN 15 -1.753 5.453 -15.179 106 HE21 GLN 15 2HE2 GLN 15 -2.003 5.719 -11.717 107 HE22 GLN 15 1HE2 GLN 15 -3.673 5.180 -11.616 108 H LEU 16 H LEU 16 0.368 2.072 -16.276 109 HA LEU 16 HA LEU 16 1.928 0.261 -14.715 110 HB2 LEU 16 1HB LEU 16 1.073 0.144 -17.614 111 HB3 LEU 16 2HB LEU 16 1.784 -1.194 -16.711 112 HG LEU 16 HG LEU 16 -0.848 0.114 -16.046 113 HD11 LEU 16 1HD1 LEU 16 -0.944 -1.029 -18.206 114 HD12 LEU 16 2HD1 LEU 16 -1.860 -1.941 -16.983 115 HD13 LEU 16 3HD1 LEU 16 -0.244 -2.497 -17.481 116 HD21 LEU 16 3HD2 LEU 16 -1.208 -1.740 -14.555 117 HD22 LEU 16 1HD2 LEU 16 0.302 -0.968 -14.090 118 HD23 LEU 16 2HD2 LEU 16 0.327 -2.487 -15.015 119 H GLU 17 H GLU 17 2.685 2.127 -17.681 120 HA GLU 17 HA GLU 17 5.313 1.017 -17.971 121 HB2 GLU 17 1HB GLU 17 4.047 3.593 -18.954 122 HB3 GLU 17 2HB GLU 17 5.730 3.151 -19.330 123 HG2 GLU 17 1HG GLU 17 4.091 0.878 -19.895 124 HG3 GLU 17 2HG GLU 17 3.326 2.304 -20.626 125 HE2 GLU 17 HE2 GLU 17 5.621 0.077 -20.804 126 H ASN 18 H ASN 18 4.066 3.665 -15.958 127 HA ASN 18 HA ASN 18 6.653 4.756 -15.301 128 HB2 ASN 18 1HB ASN 18 3.969 4.762 -13.872 129 HB3 ASN 18 2HB ASN 18 5.384 5.602 -13.269 130 HD21 ASN 18 2HD2 ASN 18 3.120 6.976 -13.797 131 HD22 ASN 18 1HD2 ASN 18 3.359 8.007 -15.189 132 H TYR 19 H TYR 19 5.183 1.703 -14.443 133 HA TYR 19 HA TYR 19 6.758 1.552 -11.925 134 HB2 TYR 19 1HB TYR 19 5.175 -0.641 -13.284 135 HB3 TYR 19 2HB TYR 19 5.757 -0.622 -11.623 136 HD1 TYR 19 HD2 TYR 19 4.861 2.430 -11.143 137 HD2 TYR 19 HD1 TYR 19 2.879 -1.072 -12.634 138 HE1 TYR 19 HE2 TYR 19 2.651 3.390 -10.486 139 HE2 TYR 19 HE1 TYR 19 0.677 -0.138 -11.943 140 HH TYR 19 HH TYR 19 -0.425 1.629 -11.006 141 H CYS 20 H CYS 20 7.360 1.438 -15.104 142 HA CYS 20 HA CYS 20 9.591 -0.556 -14.867 143 HB2 CYS 20 1HB CYS 20 8.107 0.368 -17.382 144 HB3 CYS 20 2HB CYS 20 9.350 -0.901 -17.283 145 H ASN 21 H ASN 21 11.164 0.173 -16.915 146 HA ASN 21 HA ASN 21 11.933 2.970 -16.304 147 HB2 ASN 21 1HB ASN 21 13.740 1.264 -16.770 148 HB3 ASN 21 2HB ASN 21 13.119 1.123 -18.429 149 HD21 ASN 21 2HD2 ASN 21 14.028 2.387 -19.927 150 HD22 ASN 21 1HD2 ASN 21 14.832 3.902 -19.564 151 HXT ASN 21 H02 ASN 21 10.088 3.733 -16.881 152 H1 PHE 1 2H0 PHE 1 -4.571 -3.199 -26.635 153 H2 PHE 1 1H0 PHE 1 -6.216 -3.320 -26.483 154 HA PHE 1 HA PHE 1 -4.959 -3.844 -24.395 155 HB2 PHE 1 1HB PHE 1 -3.180 -2.183 -24.813 156 HB3 PHE 1 2HB PHE 1 -4.356 -0.870 -24.663 157 HD1 PHE 1 HD2 PHE 1 -2.478 -3.481 -22.802 158 HD2 PHE 1 HD1 PHE 1 -5.166 -0.118 -22.505 159 HE1 PHE 1 HE2 PHE 1 -2.083 -3.379 -20.358 160 HE2 PHE 1 HE1 PHE 1 -4.755 -0.024 -20.064 161 HZ PHE 1 HZ PHE 1 -3.229 -1.650 -18.993 162 H VAL 2 H VAL 2 -5.964 -3.802 -22.440 163 HA VAL 2 HA VAL 2 -8.431 -2.101 -22.321 164 HB VAL 2 HB VAL 2 -8.068 -4.912 -21.146 165 HG11 VAL 2 1HG1 VAL 2 -9.633 -3.486 -19.845 166 HG12 VAL 2 2HG1 VAL 2 -10.528 -3.092 -21.327 167 HG13 VAL 2 3HG1 VAL 2 -10.512 -4.754 -20.702 168 HG21 VAL 2 3HG2 VAL 2 -8.221 -5.076 -23.584 169 HG22 VAL 2 1HG2 VAL 2 -9.750 -5.582 -22.853 170 HG23 VAL 2 2HG2 VAL 2 -9.633 -3.978 -23.605 171 H ASN 3 H ASN 3 -8.168 -0.584 -20.884 172 HA ASN 3 HA ASN 3 -6.353 -0.781 -18.600 173 HB2 ASN 3 1HB ASN 3 -7.413 1.382 -17.942 174 HB3 ASN 3 2HB ASN 3 -6.770 1.425 -19.580 175 HD21 ASN 3 2HD2 ASN 3 -9.213 2.547 -17.841 176 HD22 ASN 3 1HD2 ASN 3 -10.477 2.587 -19.039 177 H GLN 4 H GLN 4 -6.838 -1.588 -16.619 178 HA GLN 4 HA GLN 4 -9.647 -2.061 -15.852 179 HB2 GLN 4 1HB GLN 4 -9.376 -4.518 -15.777 180 HB3 GLN 4 2HB GLN 4 -9.168 -3.903 -17.420 181 HG2 GLN 4 1HG GLN 4 -6.678 -3.986 -17.070 182 HG3 GLN 4 2HG GLN 4 -6.992 -4.743 -15.514 183 HE21 GLN 4 2HE2 GLN 4 -7.451 -5.098 -19.009 184 HE22 GLN 4 1HE2 GLN 4 -7.504 -6.841 -18.992 185 H HIS 5 H HIS 5 -9.690 -3.419 -13.799 186 HA HIS 5 HA HIS 5 -7.770 -2.384 -11.844 187 HB2 HIS 5 1HB HIS 5 -10.038 -4.424 -11.720 188 HB3 HIS 5 2HB HIS 5 -9.053 -3.977 -10.334 189 HD1 HIS 5 HD1 HIS 5 -9.129 -1.359 -9.646 190 HD2 HIS 5 HD2 HIS 5 -12.191 -2.702 -12.128 191 HE1 HIS 5 HE1 HIS 5 -10.987 0.385 -9.535 192 HE2 HIS 5 HE2 HIS 5 -12.849 -0.467 -11.015 193 H LEU 6 H LEU 6 -5.949 -3.482 -11.085 194 HA LEU 6 HA LEU 6 -5.589 -6.292 -12.128 195 HB2 LEU 6 1HB LEU 6 -3.557 -4.054 -11.952 196 HB3 LEU 6 2HB LEU 6 -3.191 -5.720 -12.361 197 HG LEU 6 HG LEU 6 -5.027 -3.968 -14.013 198 HD11 LEU 6 1HD1 LEU 6 -2.094 -4.570 -14.295 199 HD12 LEU 6 2HD1 LEU 6 -2.844 -3.016 -13.878 200 HD13 LEU 6 3HD1 LEU 6 -3.099 -3.718 -15.497 201 HD21 LEU 6 3HD2 LEU 6 -4.517 -5.621 -15.789 202 HD22 LEU 6 1HD2 LEU 6 -5.381 -6.338 -14.420 203 HD23 LEU 6 2HD2 LEU 6 -3.618 -6.602 -14.606 204 H CYS 7 H CYS 7 -5.553 -7.623 -10.430 205 HA CYS 7 HA CYS 7 -4.090 -6.768 -7.974 206 HB2 CYS 7 1HB CYS 7 -6.468 -8.648 -8.088 207 HB3 CYS 7 2HB CYS 7 -5.794 -7.874 -6.661 208 H GLY 8 H GLY 8 -2.834 -8.371 -6.976 209 HA2 GLY 8 1HA GLY 8 -1.565 -10.303 -6.867 210 HA3 GLY 8 2HA GLY 8 -2.985 -11.114 -7.538 211 H SER 9 H SER 9 -2.186 -12.468 -9.016 212 HA SER 9 HA SER 9 0.100 -12.002 -10.570 213 HB2 SER 9 1HB SER 9 -2.085 -13.796 -11.588 214 HB3 SER 9 2HB SER 9 -0.331 -14.084 -11.463 215 HG SER 9 HG SER 9 -1.027 -15.177 -9.745 216 H HIS 10 H HIS 10 -2.991 -10.581 -11.089 217 HA HIS 10 HA HIS 10 -2.824 -10.445 -13.990 218 HB2 HIS 10 1HB HIS 10 -4.584 -9.473 -11.898 219 HB3 HIS 10 2HB HIS 10 -4.226 -8.195 -13.040 220 HD1 HIS 10 HD1 HIS 10 -5.817 -8.078 -15.010 221 HD2 HIS 10 HD2 HIS 10 -5.451 -11.959 -13.453 222 HE1 HIS 10 HE1 HIS 10 -7.383 -9.539 -16.349 223 HE2 HIS 10 HE2 HIS 10 -7.157 -11.890 -15.415 224 H LEU 11 H LEU 11 -1.490 -8.599 -11.296 225 HA LEU 11 HA LEU 11 -0.868 -6.243 -12.817 226 HB2 LEU 11 1HB LEU 11 -0.614 -7.180 -10.138 227 HB3 LEU 11 2HB LEU 11 0.995 -6.696 -10.646 228 HG LEU 11 HG LEU 11 -1.411 -4.896 -11.002 229 HD11 LEU 11 1HD1 LEU 11 0.457 -5.159 -8.627 230 HD12 LEU 11 2HD1 LEU 11 -1.300 -5.445 -8.648 231 HD13 LEU 11 3HD1 LEU 11 -0.657 -3.805 -8.882 232 HD21 LEU 11 3HD2 LEU 11 0.561 -4.292 -12.310 233 HD22 LEU 11 1HD2 LEU 11 1.587 -4.410 -10.851 234 HD23 LEU 11 2HD2 LEU 11 0.339 -3.146 -10.978 235 H VAL 12 H VAL 12 1.277 -8.932 -11.695 236 HA VAL 12 HA VAL 12 3.538 -8.098 -13.148 237 HB VAL 12 HB VAL 12 3.909 -9.749 -11.491 238 HG11 VAL 12 1HG1 VAL 12 2.874 -11.969 -11.417 239 HG12 VAL 12 2HG1 VAL 12 1.648 -10.698 -11.319 240 HG13 VAL 12 3HG1 VAL 12 1.891 -11.578 -12.851 241 HG21 VAL 12 3HG2 VAL 12 5.277 -10.070 -13.544 242 HG22 VAL 12 1HG2 VAL 12 5.085 -11.553 -12.598 243 HG23 VAL 12 2HG2 VAL 12 4.136 -11.316 -14.087 244 H GLU 13 H GLU 13 0.822 -10.150 -14.233 245 HA GLU 13 HA GLU 13 1.941 -10.785 -16.773 246 HB2 GLU 13 1HB GLU 13 -0.837 -10.676 -15.631 247 HB3 GLU 13 2HB GLU 13 -0.655 -10.807 -17.378 248 HG2 GLU 13 1HG GLU 13 0.757 -12.700 -15.485 249 HG3 GLU 13 2HG GLU 13 -0.891 -12.966 -16.068 250 HE2 GLU 13 HE2 GLU 13 2.194 -13.559 -18.401 251 H ALA 14 H ALA 14 -0.150 -8.041 -15.755 252 HA ALA 14 HA ALA 14 -0.368 -6.961 -18.405 253 HB1 ALA 14 3HB ALA 14 -0.474 -5.532 -15.726 254 HB2 ALA 14 1HB ALA 14 -1.068 -4.903 -17.267 255 HB3 ALA 14 2HB ALA 14 -1.855 -6.321 -16.530 256 H LEU 15 H LEU 15 2.001 -6.476 -15.777 257 HA LEU 15 HA LEU 15 3.374 -4.376 -17.184 258 HB2 LEU 15 1HB LEU 15 4.298 -6.180 -14.937 259 HB3 LEU 15 2HB LEU 15 5.169 -4.748 -15.526 260 HG LEU 15 HG LEU 15 2.383 -4.707 -14.329 261 HD11 LEU 15 1HD1 LEU 15 4.129 -5.231 -12.633 262 HD12 LEU 15 2HD1 LEU 15 3.356 -3.653 -12.377 263 HD13 LEU 15 3HD1 LEU 15 4.975 -3.742 -13.088 264 HD21 LEU 15 3HD2 LEU 15 2.732 -2.278 -14.292 265 HD22 LEU 15 1HD2 LEU 15 2.668 -2.943 -15.932 266 HD23 LEU 15 2HD2 LEU 15 4.237 -2.496 -15.210 267 H TYR 16 H TYR 16 3.795 -7.907 -17.076 268 HA TYR 16 HA TYR 16 6.234 -7.951 -18.577 269 HB2 TYR 16 1HB TYR 16 5.446 -9.967 -17.498 270 HB3 TYR 16 2HB TYR 16 3.915 -9.909 -18.384 271 HD1 TYR 16 HD2 TYR 16 7.630 -10.189 -18.991 272 HD2 TYR 16 HD1 TYR 16 3.665 -11.086 -20.404 273 HE1 TYR 16 HE2 TYR 16 8.592 -11.558 -20.845 274 HE2 TYR 16 HE1 TYR 16 4.649 -12.477 -22.234 275 HH TYR 16 HH TYR 16 6.560 -13.163 -23.293 276 H LEU 17 H LEU 17 2.777 -7.909 -19.549 277 HA LEU 17 HA LEU 17 3.389 -8.048 -22.368 278 HB2 LEU 17 1HB LEU 17 0.945 -7.029 -20.879 279 HB3 LEU 17 2HB LEU 17 1.036 -7.198 -22.631 280 HG LEU 17 HG LEU 17 1.422 -9.519 -20.727 281 HD11 LEU 17 1HD1 LEU 17 -0.907 -10.138 -21.292 282 HD12 LEU 17 2HD1 LEU 17 -1.090 -8.606 -22.178 283 HD13 LEU 17 3HD1 LEU 17 -0.827 -8.595 -20.421 284 HD21 LEU 17 3HD2 LEU 17 2.374 -9.949 -22.917 285 HD22 LEU 17 1HD2 LEU 17 0.898 -9.381 -23.724 286 HD23 LEU 17 2HD2 LEU 17 0.879 -10.873 -22.758 287 H VAL 18 H VAL 18 2.890 -5.251 -20.168 288 HA VAL 18 HA VAL 18 2.934 -3.451 -22.458 289 HB VAL 18 HB VAL 18 1.551 -3.214 -20.269 290 HG11 VAL 18 1HG1 VAL 18 3.734 -3.295 -18.838 291 HG12 VAL 18 2HG1 VAL 18 3.916 -1.590 -19.279 292 HG13 VAL 18 3HG1 VAL 18 2.464 -2.141 -18.410 293 HG21 VAL 18 3HG2 VAL 18 1.523 -0.767 -20.485 294 HG22 VAL 18 1HG2 VAL 18 3.035 -0.826 -21.419 295 HG23 VAL 18 2HG2 VAL 18 1.549 -1.583 -22.053 296 H CYS 19 H CYS 19 5.346 -4.562 -20.154 297 HA CYS 19 HA CYS 19 7.202 -2.426 -21.117 298 HB2 CYS 19 1HB CYS 19 7.312 -4.137 -18.616 299 HB3 CYS 19 2HB CYS 19 8.510 -2.926 -19.087 300 H GLY 20 H GLY 20 6.526 -5.730 -21.415 301 HA2 GLY 20 1HA GLY 20 7.561 -7.364 -22.643 302 HA3 GLY 20 2HA GLY 20 8.623 -6.103 -23.289 303 H GLU 21 H GLU 21 10.505 -7.032 -23.284 304 HA GLU 21 HA GLU 21 11.469 -8.873 -21.332 305 HB2 GLU 21 1HB GLU 21 12.936 -7.168 -23.358 306 HB3 GLU 21 2HB GLU 21 13.679 -8.490 -22.468 307 HG2 GLU 21 1HG GLU 21 12.125 -10.078 -23.532 308 HG3 GLU 21 2HG GLU 21 11.342 -8.743 -24.407 309 HE2 GLU 21 HE2 GLU 21 13.453 -9.058 -26.934 310 H ARG 22 H ARG 22 11.218 -5.430 -21.094 311 HA ARG 22 HA ARG 22 13.663 -5.098 -19.532 312 HB2 ARG 22 1HB ARG 22 11.250 -3.308 -19.930 313 HB3 ARG 22 2HB ARG 22 12.663 -2.887 -18.963 314 HG2 ARG 22 1HG ARG 22 14.034 -3.446 -21.149 315 HG3 ARG 22 2HG ARG 22 12.441 -3.211 -21.955 316 HD2 ARG 22 1HD ARG 22 13.687 -1.113 -21.955 317 HD3 ARG 22 2HD ARG 22 12.279 -0.968 -20.888 318 HE ARG 22 HE ARG 22 13.679 -0.876 -19.011 319 HH11 ARG 22 1HH1 ARG 22 15.666 -1.523 -21.877 320 HH12 ARG 22 2HH1 ARG 22 17.149 -1.223 -21.025 321 HH21 ARG 22 1HH2 ARG 22 15.626 -0.503 -17.998 322 HH22 ARG 22 2HH2 ARG 22 17.129 -0.692 -18.861 323 H GLY 23 H GLY 23 10.441 -6.158 -18.832 324 HA2 GLY 23 1HA GLY 23 9.538 -6.817 -16.794 325 HA3 GLY 23 2HA GLY 23 11.142 -6.620 -16.074 326 H PHE 24 H PHE 24 10.003 -5.777 -14.205 327 HA PHE 24 HA PHE 24 9.561 -2.853 -14.365 328 HB2 PHE 24 1HB PHE 24 7.487 -3.101 -12.999 329 HB3 PHE 24 2HB PHE 24 7.315 -3.781 -14.618 330 HD1 PHE 24 HD2 PHE 24 7.576 -4.594 -11.014 331 HD2 PHE 24 HD1 PHE 24 7.078 -6.164 -14.986 332 HE1 PHE 24 HE2 PHE 24 6.861 -6.782 -10.055 333 HE2 PHE 24 HE1 PHE 24 6.369 -8.345 -14.054 334 HZ PHE 24 HZ PHE 24 6.265 -8.675 -11.579 335 H PHE 25 H PHE 25 9.408 -2.065 -11.947 336 HA PHE 25 HA PHE 25 11.570 -3.442 -10.533 337 HB2 PHE 25 1HB PHE 25 11.440 -0.947 -10.635 338 HB3 PHE 25 2HB PHE 25 9.960 -1.020 -9.657 339 HD1 PHE 25 HD2 PHE 25 10.067 -1.684 -7.264 340 HD2 PHE 25 HD1 PHE 25 13.631 -1.426 -9.672 341 HE1 PHE 25 HE2 PHE 25 11.466 -1.782 -5.202 342 HE2 PHE 25 HE1 PHE 25 15.039 -1.510 -7.603 343 HZ PHE 25 HZ PHE 25 13.951 -1.684 -5.363 344 H NVA 26 H ARX 26 11.194 -5.090 -9.399 345 HA NVA 26 HA ARX 26 8.746 -5.387 -7.736 346 HB2 NVA 26 1HB ARX 26 9.580 -7.315 -9.268 347 HB3 NVA 26 2HB ARX 26 10.938 -7.486 -8.151 348 HG2 NVA 26 1HG ARX 26 9.149 -7.703 -6.265 349 HG3 NVA 26 2HG ARX 26 7.936 -7.840 -7.527 350 HD2 NVA 26 1HD ARX 26 8.666 -10.002 -8.124 351 HD3 NVA 26 2HD ARX 26 10.341 -9.670 -7.680 352 H THR 27 H THR 27 8.728 -5.196 -5.620 353 HA THR 27 HA THR 27 11.022 -4.176 -4.127 354 HB THR 27 HB THR 27 9.350 -4.437 -2.196 355 HG1 THR 27 HG1 THR 27 8.142 -6.108 -3.406 356 HG21 THR 27 1HG2 THR 27 9.578 -2.288 -3.407 357 HG22 THR 27 2HG2 THR 27 7.892 -2.605 -2.977 358 HG23 THR 27 3HG2 THR 27 8.426 -2.858 -4.652 359 HA PRO 28 HA PRO 28 12.495 -8.072 -3.014 360 HB2 PRO 28 1HB PRO 28 13.074 -8.080 -0.318 361 HB3 PRO 28 2HB PRO 28 14.047 -7.185 -1.531 362 HG2 PRO 28 1HG PRO 28 11.826 -6.158 0.215 363 HG3 PRO 28 2HG PRO 28 13.483 -5.489 -0.022 364 HD2 PRO 28 1HD PRO 28 11.374 -4.482 -1.382 365 HD3 PRO 28 2HD PRO 28 12.956 -4.720 -2.202 366 H HIX 29 H HIX 29 11.609 -9.957 -2.845 367 HA HIX 29 HA HIX 29 8.958 -10.378 -1.751 368 HB1 HIX 29 1HB HIX 29 10.903 -12.272 -3.162 369 HB2 HIX 29 2HB HIX 29 9.268 -12.710 -2.662 370 HD2 HIX 29 HD2 HIX 29 11.089 -10.461 -5.370 371 HD1 HIX 29 HD1 HIX 29 7.190 -11.565 -4.127 372 H THR 30 H THR 30 9.282 -9.911 0.378 373 HA THR 30 HA THR 30 10.360 -12.130 2.077 374 HB THR 30 HB THR 30 10.526 -9.402 3.246 375 HG1 THR 30 HG1 THR 30 12.697 -9.354 2.041 376 HG21 THR 30 1HG2 THR 30 12.575 -11.675 2.989 377 HG22 THR 30 2HG2 THR 30 11.459 -11.472 4.348 378 HG23 THR 30 3HG2 THR 30 12.701 -10.254 4.030 379 HXT THR 30 H02 THR 30 7.168 -10.216 3.139 Start of MODEL 4 1 H1 GLY 1 2H0 GLY 1 3.216 0.737 -1.058 2 H2 GLY 1 1H0 GLY 1 2.443 -0.674 -0.760 3 HA2 GLY 1 1HA GLY 1 4.181 -0.119 -3.098 4 HA3 GLY 1 2HA GLY 1 3.442 -1.693 -2.763 5 H ILE 2 H ILE 2 3.280 -0.048 -5.085 6 HA ILE 2 HA ILE 2 0.839 1.416 -5.227 7 HB ILE 2 HB ILE 2 2.965 1.427 -6.757 8 HG12 ILE 2 1HG1 ILE 2 1.529 2.178 -8.735 9 HG13 ILE 2 2HG1 ILE 2 0.127 1.794 -7.743 10 HG21 ILE 2 1HG2 ILE 2 2.872 0.100 -8.811 11 HG22 ILE 2 2HG2 ILE 2 2.740 -1.007 -7.435 12 HG23 ILE 2 3HG2 ILE 2 1.293 -0.577 -8.362 13 HD11 ILE 2 3HD1 ILE 2 1.029 3.381 -6.002 14 HD12 ILE 2 1HD1 ILE 2 2.306 3.830 -7.158 15 HD13 ILE 2 2HD1 ILE 2 0.596 4.154 -7.544 16 H VAL 3 H VAL 3 1.280 -1.916 -5.020 17 HA VAL 3 HA VAL 3 -0.525 -3.034 -6.823 18 HB VAL 3 HB VAL 3 0.006 -3.894 -3.934 19 HG11 VAL 3 1HG1 VAL 3 -0.592 -6.189 -4.782 20 HG12 VAL 3 2HG1 VAL 3 -1.958 -5.055 -4.771 21 HG13 VAL 3 3HG1 VAL 3 -1.135 -5.446 -6.303 22 HG21 VAL 3 3HG2 VAL 3 2.109 -3.735 -5.161 23 HG22 VAL 3 1HG2 VAL 3 1.670 -5.442 -5.008 24 HG23 VAL 3 2HG2 VAL 3 1.410 -4.609 -6.554 25 H GLU 4 H GLU 4 -1.271 -1.742 -3.537 26 HA GLU 4 HA GLU 4 -4.005 -2.538 -3.626 27 HB2 GLU 4 1HB GLU 4 -2.326 -0.829 -1.948 28 HB3 GLU 4 2HB GLU 4 -3.956 -0.178 -2.145 29 HG2 GLU 4 1HG GLU 4 -4.903 -2.370 -1.455 30 HG3 GLU 4 2HG GLU 4 -3.253 -2.964 -1.180 31 HE2 GLU 4 HE2 GLU 4 -4.913 -0.393 1.326 32 H GLN 5 H GLN 5 -2.398 0.464 -4.765 33 HA GLN 5 HA GLN 5 -4.873 1.768 -5.412 34 HB2 GLN 5 1HB GLN 5 -2.038 2.202 -6.407 35 HB3 GLN 5 2HB GLN 5 -3.412 3.240 -6.818 36 HG2 GLN 5 1HG GLN 5 -3.757 3.734 -4.427 37 HG3 GLN 5 2HG GLN 5 -2.358 2.727 -4.011 38 HE21 GLN 5 2HE2 GLN 5 -3.345 5.586 -5.892 39 HE22 GLN 5 1HE2 GLN 5 -1.808 6.406 -5.745 40 H CYS 6 H CYS 6 -2.608 -0.263 -7.313 41 HA CYS 6 HA CYS 6 -3.988 0.114 -9.808 42 HB2 CYS 6 1HB CYS 6 -1.596 -0.800 -9.224 43 HB3 CYS 6 2HB CYS 6 -2.419 -2.355 -9.085 44 H CYS 7 H CYS 7 -4.493 -1.979 -7.042 45 HA CYS 7 HA CYS 7 -6.389 -3.721 -8.429 46 HB2 CYS 7 1HB CYS 7 -5.012 -4.437 -6.490 47 HB3 CYS 7 2HB CYS 7 -5.879 -3.299 -5.467 48 H THR 8 H THR 8 -6.734 -1.140 -5.902 49 HA THR 8 HA THR 8 -9.609 -1.481 -5.946 50 HB THR 8 HB THR 8 -8.264 -0.806 -3.916 51 HG1 THR 8 HG1 THR 8 -10.520 -0.494 -4.021 52 HG21 THR 8 1HG2 THR 8 -6.932 1.001 -5.225 53 HG22 THR 8 2HG2 THR 8 -7.496 1.395 -3.591 54 HG23 THR 8 3HG2 THR 8 -8.370 2.024 -5.002 55 H SER 9 H SER 9 -7.396 0.642 -7.674 56 HA SER 9 HA SER 9 -9.779 2.106 -8.761 57 HB2 SER 9 1HB SER 9 -7.997 3.439 -7.518 58 HB3 SER 9 2HB SER 9 -6.899 3.019 -8.851 59 HG SER 9 HG SER 9 -8.046 5.051 -9.086 60 H ILE 10 H ILE 10 -9.170 2.910 -11.096 61 HA ILE 10 HA ILE 10 -8.589 0.422 -12.590 62 HB ILE 10 HB ILE 10 -9.594 3.201 -13.396 63 HG12 ILE 10 1HG1 ILE 10 -11.166 1.533 -12.282 64 HG13 ILE 10 2HG1 ILE 10 -11.685 2.180 -13.834 65 HG21 ILE 10 1HG2 ILE 10 -9.906 2.185 -15.695 66 HG22 ILE 10 2HG2 ILE 10 -8.236 2.560 -15.241 67 HG23 ILE 10 3HG2 ILE 10 -8.808 0.877 -15.183 68 HD11 ILE 10 3HD1 ILE 10 -10.388 -0.565 -13.507 69 HD12 ILE 10 1HD1 ILE 10 -12.134 -0.265 -13.590 70 HD13 ILE 10 2HD1 ILE 10 -11.109 0.110 -14.989 71 H CYS 11 H CYS 11 -6.625 -0.026 -13.218 72 HA CYS 11 HA CYS 11 -4.505 2.011 -13.078 73 HB2 CYS 11 1HB CYS 11 -4.725 -0.813 -12.795 74 HB3 CYS 11 2HB CYS 11 -3.705 -0.523 -14.207 75 H SER 12 H SER 12 -3.697 3.043 -14.789 76 HA SER 12 HA SER 12 -4.834 2.418 -17.464 77 HB2 SER 12 1HB SER 12 -3.228 4.822 -16.550 78 HB3 SER 12 2HB SER 12 -4.156 4.655 -18.055 79 HG SER 12 HG SER 12 -5.206 4.605 -15.400 80 H LEU 13 H LEU 13 -3.374 2.749 -19.370 81 HA LEU 13 HA LEU 13 -1.284 0.901 -19.343 82 HB2 LEU 13 1HB LEU 13 -2.547 1.394 -21.319 83 HB3 LEU 13 2HB LEU 13 -2.319 3.122 -21.114 84 HG LEU 13 HG LEU 13 0.037 2.844 -21.623 85 HD11 LEU 13 1HD1 LEU 13 0.286 0.451 -21.104 86 HD12 LEU 13 2HD1 LEU 13 0.820 0.795 -22.758 87 HD13 LEU 13 3HD1 LEU 13 -0.767 0.034 -22.470 88 HD21 LEU 13 3HD2 LEU 13 -1.891 1.888 -23.777 89 HD22 LEU 13 1HD2 LEU 13 -0.284 2.593 -24.066 90 HD23 LEU 13 2HD2 LEU 13 -1.562 3.589 -23.334 91 H TYR 14 H TYR 14 -1.293 4.471 -19.236 92 HA TYR 14 HA TYR 14 1.504 4.814 -19.442 93 HB2 TYR 14 1HB TYR 14 0.117 6.811 -17.773 94 HB3 TYR 14 2HB TYR 14 1.006 7.010 -19.298 95 HD1 TYR 14 HD2 TYR 14 -0.224 6.102 -21.460 96 HD2 TYR 14 HD1 TYR 14 -2.228 7.016 -17.757 97 HE1 TYR 14 HE2 TYR 14 -2.370 6.224 -22.649 98 HE2 TYR 14 HE1 TYR 14 -4.385 7.156 -18.962 99 HH TYR 14 HH TYR 14 -5.458 7.003 -20.994 100 H GLN 15 H GLN 15 -0.662 4.387 -16.657 101 HA GLN 15 HA GLN 15 1.291 4.969 -14.650 102 HB2 GLN 15 1HB GLN 15 -1.198 3.223 -14.507 103 HB3 GLN 15 2HB GLN 15 -0.249 3.765 -13.118 104 HG2 GLN 15 1HG GLN 15 -0.772 6.109 -13.626 105 HG3 GLN 15 2HG GLN 15 -1.677 5.615 -15.056 106 HE21 GLN 15 2HE2 GLN 15 -1.926 6.437 -11.837 107 HE22 GLN 15 1HE2 GLN 15 -3.508 5.757 -11.532 108 H LEU 16 H LEU 16 0.209 1.922 -16.231 109 HA LEU 16 HA LEU 16 1.945 0.251 -14.666 110 HB2 LEU 16 1HB LEU 16 0.915 -0.079 -17.493 111 HB3 LEU 16 2HB LEU 16 1.728 -1.328 -16.585 112 HG LEU 16 HG LEU 16 -0.937 -0.106 -15.858 113 HD11 LEU 16 1HD1 LEU 16 -1.828 -2.278 -16.586 114 HD12 LEU 16 2HD1 LEU 16 -0.187 -2.777 -17.065 115 HD13 LEU 16 3HD1 LEU 16 -0.976 -1.431 -17.893 116 HD21 LEU 16 3HD2 LEU 16 0.557 -2.430 -14.615 117 HD22 LEU 16 1HD2 LEU 16 -1.139 -2.002 -14.294 118 HD23 LEU 16 2HD2 LEU 16 0.145 -0.874 -13.843 119 H GLU 17 H GLU 17 2.455 1.986 -17.767 120 HA GLU 17 HA GLU 17 5.060 0.907 -18.258 121 HB2 GLU 17 1HB GLU 17 3.709 3.490 -19.076 122 HB3 GLU 17 2HB GLU 17 5.341 3.064 -19.614 123 HG2 GLU 17 1HG GLU 17 4.499 1.055 -20.706 124 HG3 GLU 17 2HG GLU 17 2.873 1.364 -20.093 125 HE2 GLU 17 HE2 GLU 17 4.596 1.457 -22.552 126 H ASN 18 H ASN 18 3.962 3.641 -16.261 127 HA ASN 18 HA ASN 18 6.603 4.675 -15.762 128 HB2 ASN 18 1HB ASN 18 3.905 4.966 -14.466 129 HB3 ASN 18 2HB ASN 18 5.337 5.577 -13.660 130 HD21 ASN 18 2HD2 ASN 18 2.880 6.637 -15.370 131 HD22 ASN 18 1HD2 ASN 18 3.640 7.931 -16.264 132 H TYR 19 H TYR 19 5.220 1.695 -14.700 133 HA TYR 19 HA TYR 19 6.729 1.737 -12.134 134 HB2 TYR 19 1HB TYR 19 5.283 -0.575 -13.493 135 HB3 TYR 19 2HB TYR 19 5.895 -0.538 -11.839 136 HD1 TYR 19 HD2 TYR 19 4.736 2.583 -11.642 137 HD2 TYR 19 HD1 TYR 19 3.113 -1.310 -12.486 138 HE1 TYR 19 HE2 TYR 19 2.481 3.354 -10.928 139 HE2 TYR 19 HE1 TYR 19 0.863 -0.525 -11.769 140 HH TYR 19 HH TYR 19 0.278 2.779 -10.609 141 H CYS 20 H CYS 20 7.517 1.455 -15.324 142 HA CYS 20 HA CYS 20 9.701 -0.536 -14.802 143 HB2 CYS 20 1HB CYS 20 8.146 0.071 -17.329 144 HB3 CYS 20 2HB CYS 20 9.571 -0.976 -17.270 145 H ASN 21 H ASN 21 11.593 -0.266 -16.162 146 HA ASN 21 HA ASN 21 12.643 2.423 -16.077 147 HB2 ASN 21 1HB ASN 21 14.129 0.447 -15.870 148 HB3 ASN 21 2HB ASN 21 13.692 -0.073 -17.498 149 HD21 ASN 21 2HD2 ASN 21 15.516 0.134 -18.634 150 HD22 ASN 21 1HD2 ASN 21 16.433 1.627 -18.759 151 HXT ASN 21 H02 ASN 21 11.654 3.746 -18.922 152 H1 PHE 1 2H0 PHE 1 -5.500 -3.438 -25.913 153 H2 PHE 1 1H0 PHE 1 -5.034 -1.892 -26.066 154 HA PHE 1 HA PHE 1 -4.555 -3.545 -23.663 155 HB2 PHE 1 1HB PHE 1 -2.786 -1.850 -24.217 156 HB3 PHE 1 2HB PHE 1 -4.011 -0.586 -24.212 157 HD1 PHE 1 HD2 PHE 1 -5.159 0.063 -22.059 158 HD2 PHE 1 HD1 PHE 1 -1.914 -2.778 -22.182 159 HE1 PHE 1 HE2 PHE 1 -4.870 0.275 -19.606 160 HE2 PHE 1 HE1 PHE 1 -1.618 -2.547 -19.743 161 HZ PHE 1 HZ PHE 1 -3.118 -1.030 -18.442 162 H VAL 2 H VAL 2 -5.949 -3.415 -22.020 163 HA VAL 2 HA VAL 2 -8.244 -1.517 -22.284 164 HB VAL 2 HB VAL 2 -8.336 -4.359 -21.178 165 HG11 VAL 2 1HG1 VAL 2 -10.798 -3.951 -21.045 166 HG12 VAL 2 2HG1 VAL 2 -9.890 -2.859 -19.979 167 HG13 VAL 2 3HG1 VAL 2 -10.536 -2.265 -21.528 168 HG21 VAL 2 3HG2 VAL 2 -9.440 -3.164 -23.761 169 HG22 VAL 2 1HG2 VAL 2 -8.203 -4.439 -23.608 170 HG23 VAL 2 2HG2 VAL 2 -9.881 -4.776 -23.131 171 H ASN 3 H ASN 3 -8.214 -0.069 -20.709 172 HA ASN 3 HA ASN 3 -6.547 -0.330 -18.344 173 HB2 ASN 3 1HB ASN 3 -7.774 1.736 -17.618 174 HB3 ASN 3 2HB ASN 3 -7.038 1.874 -19.220 175 HD21 ASN 3 2HD2 ASN 3 -9.881 2.288 -17.472 176 HD22 ASN 3 1HD2 ASN 3 -10.971 2.477 -18.832 177 H GLN 4 H GLN 4 -7.029 -1.268 -16.433 178 HA GLN 4 HA GLN 4 -9.815 -1.885 -15.701 179 HB2 GLN 4 1HB GLN 4 -9.514 -4.311 -15.727 180 HB3 GLN 4 2HB GLN 4 -9.242 -3.653 -17.344 181 HG2 GLN 4 1HG GLN 4 -6.780 -3.768 -16.949 182 HG3 GLN 4 2HG GLN 4 -7.091 -4.512 -15.371 183 HE21 GLN 4 2HE2 GLN 4 -7.643 -4.913 -18.851 184 HE22 GLN 4 1HE2 GLN 4 -7.664 -6.668 -18.809 185 H HIS 5 H HIS 5 -9.669 -3.494 -13.706 186 HA HIS 5 HA HIS 5 -7.740 -2.342 -11.780 187 HB2 HIS 5 1HB HIS 5 -9.946 -4.452 -11.556 188 HB3 HIS 5 2HB HIS 5 -8.952 -3.915 -10.202 189 HD1 HIS 5 HD1 HIS 5 -9.268 -1.414 -9.367 190 HD2 HIS 5 HD2 HIS 5 -12.104 -2.731 -12.173 191 HE1 HIS 5 HE1 HIS 5 -11.191 0.257 -9.329 192 HE2 HIS 5 HE2 HIS 5 -12.912 -0.573 -10.992 193 H LEU 6 H LEU 6 -5.820 -3.404 -11.247 194 HA LEU 6 HA LEU 6 -5.567 -6.279 -12.113 195 HB2 LEU 6 1HB LEU 6 -3.405 -4.162 -12.053 196 HB3 LEU 6 2HB LEU 6 -3.143 -5.860 -12.299 197 HG LEU 6 HG LEU 6 -2.731 -4.887 -14.329 198 HD11 LEU 6 1HD1 LEU 6 -3.964 -6.830 -14.760 199 HD12 LEU 6 2HD1 LEU 6 -4.581 -5.606 -15.871 200 HD13 LEU 6 3HD1 LEU 6 -5.527 -6.033 -14.430 201 HD21 LEU 6 3HD2 LEU 6 -5.307 -3.343 -14.144 202 HD22 LEU 6 1HD2 LEU 6 -4.184 -3.344 -15.518 203 HD23 LEU 6 2HD2 LEU 6 -3.663 -2.717 -13.947 204 H CYS 7 H CYS 7 -5.536 -7.485 -10.277 205 HA CYS 7 HA CYS 7 -4.491 -6.180 -7.799 206 HB2 CYS 7 1HB CYS 7 -6.504 -8.421 -8.115 207 HB3 CYS 7 2HB CYS 7 -5.945 -7.747 -6.576 208 H GLY 8 H GLY 8 -5.002 -9.611 -8.719 209 HA2 GLY 8 1HA GLY 8 -2.565 -10.352 -7.285 210 HA3 GLY 8 2HA GLY 8 -3.692 -11.443 -8.105 211 H SER 9 H SER 9 -2.384 -12.629 -9.452 212 HA SER 9 HA SER 9 -0.040 -11.759 -10.683 213 HB2 SER 9 1HB SER 9 -1.532 -13.697 -12.280 214 HB3 SER 9 2HB SER 9 -0.009 -13.892 -11.367 215 HG SER 9 HG SER 9 -1.408 -15.142 -10.279 216 H HIS 10 H HIS 10 -3.188 -10.853 -11.534 217 HA HIS 10 HA HIS 10 -2.976 -10.330 -14.306 218 HB2 HIS 10 1HB HIS 10 -4.560 -9.358 -11.986 219 HB3 HIS 10 2HB HIS 10 -4.369 -8.170 -13.261 220 HD1 HIS 10 HD1 HIS 10 -6.250 -8.187 -14.957 221 HD2 HIS 10 HD2 HIS 10 -5.487 -11.980 -13.295 222 HE1 HIS 10 HE1 HIS 10 -7.918 -9.808 -15.986 223 HE2 HIS 10 HE2 HIS 10 -7.448 -12.086 -14.987 224 H LEU 11 H LEU 11 -1.696 -8.581 -11.468 225 HA LEU 11 HA LEU 11 -1.000 -6.189 -12.885 226 HB2 LEU 11 1HB LEU 11 -0.846 -7.201 -10.246 227 HB3 LEU 11 2HB LEU 11 0.801 -6.766 -10.688 228 HG LEU 11 HG LEU 11 -1.552 -4.877 -10.944 229 HD11 LEU 11 1HD1 LEU 11 -1.312 -5.581 -8.647 230 HD12 LEU 11 2HD1 LEU 11 -0.778 -3.903 -8.846 231 HD13 LEU 11 3HD1 LEU 11 0.426 -5.196 -8.683 232 HD21 LEU 11 3HD2 LEU 11 0.189 -3.121 -10.931 233 HD22 LEU 11 1HD2 LEU 11 0.359 -4.218 -12.320 234 HD23 LEU 11 2HD2 LEU 11 1.450 -4.385 -10.923 235 H VAL 12 H VAL 12 1.023 -9.003 -11.893 236 HA VAL 12 HA VAL 12 3.326 -7.944 -13.218 237 HB VAL 12 HB VAL 12 4.314 -10.239 -12.908 238 HG11 VAL 12 1HG1 VAL 12 2.969 -9.046 -10.445 239 HG12 VAL 12 2HG1 VAL 12 4.415 -10.092 -10.473 240 HG13 VAL 12 3HG1 VAL 12 4.482 -8.469 -11.194 241 HG21 VAL 12 3HG2 VAL 12 2.238 -11.591 -13.106 242 HG22 VAL 12 1HG2 VAL 12 3.115 -11.920 -11.597 243 HG23 VAL 12 2HG2 VAL 12 1.667 -10.906 -11.565 244 H GLU 13 H GLU 13 0.703 -10.039 -14.335 245 HA GLU 13 HA GLU 13 1.987 -10.788 -16.806 246 HB2 GLU 13 1HB GLU 13 -0.907 -10.474 -15.966 247 HB3 GLU 13 2HB GLU 13 -0.448 -11.019 -17.582 248 HG2 GLU 13 1HG GLU 13 0.577 -12.993 -16.735 249 HG3 GLU 13 2HG GLU 13 0.485 -12.418 -15.070 250 HE2 GLU 13 HE2 GLU 13 -2.873 -13.605 -16.802 251 H ALA 14 H ALA 14 -0.122 -8.033 -15.847 252 HA ALA 14 HA ALA 14 -0.278 -6.898 -18.461 253 HB1 ALA 14 3HB ALA 14 -0.371 -5.457 -15.776 254 HB2 ALA 14 1HB ALA 14 -1.020 -4.877 -17.324 255 HB3 ALA 14 2HB ALA 14 -1.751 -6.290 -16.524 256 H LEU 15 H LEU 15 2.053 -6.452 -15.760 257 HA LEU 15 HA LEU 15 3.547 -4.410 -17.135 258 HB2 LEU 15 1HB LEU 15 4.377 -6.290 -14.911 259 HB3 LEU 15 2HB LEU 15 5.314 -4.914 -15.486 260 HG LEU 15 HG LEU 15 2.621 -4.795 -14.119 261 HD11 LEU 15 1HD1 LEU 15 4.600 -5.316 -12.702 262 HD12 LEU 15 2HD1 LEU 15 3.844 -3.759 -12.306 263 HD13 LEU 15 3HD1 LEU 15 5.349 -3.803 -13.245 264 HD21 LEU 15 3HD2 LEU 15 2.901 -2.363 -14.192 265 HD22 LEU 15 1HD2 LEU 15 2.756 -3.044 -15.807 266 HD23 LEU 15 2HD2 LEU 15 4.354 -2.550 -15.195 267 H TYR 16 H TYR 16 3.827 -7.955 -17.030 268 HA TYR 16 HA TYR 16 6.333 -8.128 -18.396 269 HB2 TYR 16 1HB TYR 16 5.509 -10.135 -17.438 270 HB3 TYR 16 2HB TYR 16 3.899 -9.911 -18.141 271 HD1 TYR 16 HD1 TYR 16 7.452 -10.733 -19.059 272 HD2 TYR 16 HD2 TYR 16 3.301 -10.896 -20.215 273 HE1 TYR 16 HE1 TYR 16 8.035 -12.187 -20.993 274 HE2 TYR 16 HE2 TYR 16 3.898 -12.360 -22.136 275 HH TYR 16 HH TYR 16 5.571 -13.412 -23.275 276 H LEU 17 H LEU 17 2.946 -7.947 -19.594 277 HA LEU 17 HA LEU 17 3.738 -8.047 -22.365 278 HB2 LEU 17 1HB LEU 17 1.243 -6.998 -20.982 279 HB3 LEU 17 2HB LEU 17 1.414 -7.088 -22.732 280 HG LEU 17 HG LEU 17 1.585 -9.493 -20.872 281 HD11 LEU 17 1HD1 LEU 17 -0.687 -10.014 -21.632 282 HD12 LEU 17 2HD1 LEU 17 -0.736 -8.506 -22.572 283 HD13 LEU 17 3HD1 LEU 17 -0.643 -8.452 -20.787 284 HD21 LEU 17 3HD2 LEU 17 1.329 -9.281 -23.903 285 HD22 LEU 17 1HD2 LEU 17 1.195 -10.797 -22.972 286 HD23 LEU 17 2HD2 LEU 17 2.731 -9.898 -22.993 287 H VAL 18 H VAL 18 3.053 -5.259 -20.173 288 HA VAL 18 HA VAL 18 3.238 -3.434 -22.394 289 HB VAL 18 HB VAL 18 1.867 -3.271 -20.157 290 HG11 VAL 18 1HG1 VAL 18 3.969 -3.265 -18.739 291 HG12 VAL 18 2HG1 VAL 18 4.252 -1.612 -19.320 292 HG13 VAL 18 3HG1 VAL 18 2.779 -1.999 -18.406 293 HG21 VAL 18 3HG2 VAL 18 3.210 -0.912 -21.464 294 HG22 VAL 18 1HG2 VAL 18 1.684 -1.687 -21.936 295 HG23 VAL 18 2HG2 VAL 18 1.796 -0.823 -20.391 296 H CYS 19 H CYS 19 5.629 -4.611 -20.103 297 HA CYS 19 HA CYS 19 7.471 -2.403 -20.903 298 HB2 CYS 19 1HB CYS 19 7.715 -4.398 -18.641 299 HB3 CYS 19 2HB CYS 19 8.768 -3.008 -18.942 300 H GLY 20 H GLY 20 7.143 -5.953 -21.048 301 HA2 GLY 20 1HA GLY 20 8.363 -7.472 -22.264 302 HA3 GLY 20 2HA GLY 20 8.952 -6.106 -23.212 303 H GLU 21 H GLU 21 11.051 -6.076 -23.370 304 HA GLU 21 HA GLU 21 12.820 -7.510 -21.626 305 HB2 GLU 21 1HB GLU 21 13.334 -5.339 -23.681 306 HB3 GLU 21 2HB GLU 21 14.605 -6.244 -22.866 307 HG2 GLU 21 1HG GLU 21 13.717 -8.343 -23.824 308 HG3 GLU 21 2HG GLU 21 12.471 -7.427 -24.677 309 HE2 GLU 21 HE2 GLU 21 15.703 -8.078 -24.381 310 H ARG 22 H ARG 22 11.301 -4.503 -21.114 311 HA ARG 22 HA ARG 22 13.465 -3.684 -19.189 312 HB2 ARG 22 1HB ARG 22 11.359 -2.064 -20.669 313 HB3 ARG 22 2HB ARG 22 12.318 -1.418 -19.332 314 HG2 ARG 22 1HG ARG 22 14.381 -1.718 -20.537 315 HG3 ARG 22 2HG ARG 22 13.562 -2.570 -21.858 316 HD2 ARG 22 1HD ARG 22 12.944 0.286 -21.087 317 HD3 ARG 22 2HD ARG 22 14.123 -0.173 -22.328 318 HE ARG 22 HE ARG 22 11.686 -1.508 -22.890 319 HH11 ARG 22 1HH1 ARG 22 12.909 1.795 -22.886 320 HH12 ARG 22 2HH1 ARG 22 11.839 2.291 -24.170 321 HH21 ARG 22 1HH2 ARG 22 10.344 -0.809 -24.507 322 HH22 ARG 22 2HH2 ARG 22 10.415 0.837 -25.072 323 H GLY 23 H GLY 23 11.443 -5.768 -18.887 324 HA2 GLY 23 1HA GLY 23 9.220 -4.888 -17.406 325 HA3 GLY 23 2HA GLY 23 9.934 -6.497 -17.367 326 H PHE 24 H PHE 24 8.690 -5.582 -15.284 327 HA PHE 24 HA PHE 24 10.175 -4.218 -13.276 328 HB2 PHE 24 1HB PHE 24 8.392 -5.097 -11.835 329 HB3 PHE 24 2HB PHE 24 7.686 -4.535 -13.354 330 HD1 PHE 24 HD1 PHE 24 7.021 -6.217 -15.127 331 HD2 PHE 24 HD2 PHE 24 8.234 -7.405 -11.174 332 HE1 PHE 24 HE1 PHE 24 6.069 -8.459 -15.524 333 HE2 PHE 24 HE2 PHE 24 7.290 -9.671 -11.572 334 HZ PHE 24 HZ PHE 24 6.225 -10.212 -13.765 335 H PHE 25 H PHE 25 10.636 -5.333 -11.196 336 HA PHE 25 HA PHE 25 11.580 -8.149 -11.536 337 HB2 PHE 25 1HB PHE 25 13.527 -6.576 -11.405 338 HB3 PHE 25 2HB PHE 25 12.910 -5.987 -9.853 339 HD1 PHE 25 HD2 PHE 25 13.002 -7.450 -7.842 340 HD2 PHE 25 HD1 PHE 25 14.569 -8.752 -11.628 341 HE1 PHE 25 HE2 PHE 25 14.196 -9.307 -6.706 342 HE2 PHE 25 HE1 PHE 25 15.778 -10.619 -10.487 343 HZ PHE 25 HZ PHE 25 15.574 -10.902 -8.022 344 H NVA 26 H ARX 26 10.680 -9.474 -10.145 345 HA NVA 26 HA ARX 26 9.206 -8.408 -7.772 346 HB2 NVA 26 1HB ARX 26 7.589 -9.286 -9.342 347 HB3 NVA 26 2HB ARX 26 8.520 -10.750 -9.631 348 HG2 NVA 26 1HG ARX 26 8.039 -11.595 -7.393 349 HG3 NVA 26 2HG ARX 26 7.302 -10.074 -6.888 350 HD2 NVA 26 1HD ARX 26 5.371 -10.448 -8.289 351 HD3 NVA 26 2HD ARX 26 6.167 -11.771 -9.161 352 H THR 27 H THR 27 9.802 -8.905 -5.864 353 HA THR 27 HA THR 27 11.962 -10.795 -5.257 354 HB THR 27 HB THR 27 11.327 -10.202 -2.861 355 HG1 THR 27 HG1 THR 27 9.097 -9.670 -3.479 356 HG21 THR 27 1HG2 THR 27 13.061 -8.916 -4.092 357 HG22 THR 27 2HG2 THR 27 12.136 -7.888 -2.977 358 HG23 THR 27 3HG2 THR 27 11.797 -7.833 -4.718 359 HA PRO 28 HA PRO 28 9.404 -14.233 -5.005 360 HB2 PRO 28 1HB PRO 28 9.998 -15.597 -2.674 361 HB3 PRO 28 2HB PRO 28 11.051 -15.573 -4.130 362 HG2 PRO 28 1HG PRO 28 11.207 -13.833 -1.662 363 HG3 PRO 28 2HG PRO 28 12.512 -14.781 -2.453 364 HD2 PRO 28 1HD PRO 28 12.268 -12.175 -2.951 365 HD3 PRO 28 2HD PRO 28 12.606 -13.312 -4.303 366 H HIX 29 H HIX 29 7.381 -14.581 -4.684 367 HA HIX 29 HA HIX 29 5.764 -12.916 -3.035 368 HB1 HIX 29 1HB HIX 29 4.962 -15.463 -4.558 369 HB2 HIX 29 2HB HIX 29 3.851 -14.270 -3.904 370 HD2 HIX 29 HD2 HIX 29 6.655 -12.160 -5.433 371 HD1 HIX 29 HD1 HIX 29 3.351 -14.412 -6.822 372 H THR 30 H THR 30 6.123 -13.019 -0.959 373 HA THR 30 HA THR 30 5.064 -15.273 0.595 374 HB THR 30 HB THR 30 7.510 -14.605 1.926 375 HG1 THR 30 HG1 THR 30 7.988 -14.172 -0.524 376 HG21 THR 30 1HG2 THR 30 7.985 -17.055 1.563 377 HG22 THR 30 2HG2 THR 30 6.628 -17.142 0.432 378 HG23 THR 30 3HG2 THR 30 6.332 -16.778 2.151 379 HXT THR 30 H02 THR 30 5.494 -11.704 2.040 Start of MODEL 5 1 H1 GLY 1 2H0 GLY 1 3.717 0.018 -0.882 2 H2 GLY 1 1H0 GLY 1 4.126 -1.439 -1.496 3 HA2 GLY 1 1HA GLY 1 2.023 -2.135 -1.516 4 HA3 GLY 1 2HA GLY 1 1.572 -0.576 -0.762 5 H ILE 2 H ILE 2 3.129 -0.605 -3.714 6 HA ILE 2 HA ILE 2 1.181 0.877 -5.117 7 HB ILE 2 HB ILE 2 3.663 0.700 -5.631 8 HG12 ILE 2 1HG1 ILE 2 3.372 0.863 -8.139 9 HG13 ILE 2 2HG1 ILE 2 1.683 0.426 -7.918 10 HG21 ILE 2 1HG2 ILE 2 3.798 -1.797 -5.635 11 HG22 ILE 2 2HG2 ILE 2 2.884 -1.827 -7.169 12 HG23 ILE 2 3HG2 ILE 2 4.487 -1.063 -7.096 13 HD11 ILE 2 3HD1 ILE 2 1.282 2.451 -6.589 14 HD12 ILE 2 1HD1 ILE 2 3.016 2.853 -6.640 15 HD13 ILE 2 2HD1 ILE 2 2.054 2.898 -8.127 16 H VAL 3 H VAL 3 1.425 -2.603 -4.759 17 HA VAL 3 HA VAL 3 -0.234 -3.406 -6.927 18 HB VAL 3 HB VAL 3 -0.044 -4.601 -4.111 19 HG11 VAL 3 1HG1 VAL 3 -0.807 -6.719 -5.225 20 HG12 VAL 3 2HG1 VAL 3 -2.041 -5.447 -5.252 21 HG13 VAL 3 3HG1 VAL 3 -1.097 -5.800 -6.716 22 HG21 VAL 3 3HG2 VAL 3 1.524 -5.200 -6.649 23 HG22 VAL 3 1HG2 VAL 3 2.161 -4.535 -5.137 24 HG23 VAL 3 2HG2 VAL 3 1.562 -6.204 -5.189 25 H GLU 4 H GLU 4 -1.033 -2.316 -3.597 26 HA GLU 4 HA GLU 4 -3.830 -2.754 -3.800 27 HB2 GLU 4 1HB GLU 4 -2.428 -2.358 -1.733 28 HB3 GLU 4 2HB GLU 4 -2.382 -0.646 -2.157 29 HG2 GLU 4 1HG GLU 4 -4.815 -0.536 -1.986 30 HG3 GLU 4 2HG GLU 4 -4.872 -2.266 -1.611 31 HE2 GLU 4 HE2 GLU 4 -5.937 -0.674 -0.043 32 H GLN 5 H GLN 5 -1.801 0.085 -4.586 33 HA GLN 5 HA GLN 5 -3.990 1.832 -5.166 34 HB2 GLN 5 1HB GLN 5 -1.081 1.768 -5.995 35 HB3 GLN 5 2HB GLN 5 -2.195 2.948 -6.686 36 HG2 GLN 5 1HG GLN 5 -1.119 4.047 -4.883 37 HG3 GLN 5 2HG GLN 5 -2.764 3.702 -4.345 38 HE21 GLN 5 2HE2 GLN 5 0.609 3.164 -3.805 39 HE22 GLN 5 1HE2 GLN 5 0.435 2.185 -2.372 40 H CYS 6 H CYS 6 -2.077 -0.386 -7.245 41 HA CYS 6 HA CYS 6 -3.505 0.351 -9.653 42 HB2 CYS 6 1HB CYS 6 -1.166 -0.693 -9.333 43 HB3 CYS 6 2HB CYS 6 -2.013 -2.232 -9.173 44 H CYS 7 H CYS 7 -4.124 -1.844 -7.037 45 HA CYS 7 HA CYS 7 -6.082 -3.471 -8.436 46 HB2 CYS 7 1HB CYS 7 -4.752 -4.214 -6.468 47 HB3 CYS 7 2HB CYS 7 -5.601 -3.035 -5.467 48 H THR 8 H THR 8 -6.271 -0.783 -6.024 49 HA THR 8 HA THR 8 -9.173 -0.870 -6.081 50 HB THR 8 HB THR 8 -7.798 -0.215 -4.065 51 HG1 THR 8 HG1 THR 8 -9.258 1.539 -3.543 52 HG21 THR 8 1HG2 THR 8 -6.945 2.014 -3.837 53 HG22 THR 8 2HG2 THR 8 -7.556 2.483 -5.438 54 HG23 THR 8 3HG2 THR 8 -6.216 1.318 -5.294 55 H SER 9 H SER 9 -6.765 0.911 -7.917 56 HA SER 9 HA SER 9 -8.925 2.680 -9.005 57 HB2 SER 9 1HB SER 9 -5.937 2.837 -9.399 58 HB3 SER 9 2HB SER 9 -7.139 4.070 -9.827 59 HG SER 9 HG SER 9 -6.271 3.231 -7.266 60 H ILE 10 H ILE 10 -8.771 3.086 -11.433 61 HA ILE 10 HA ILE 10 -8.312 0.514 -12.837 62 HB ILE 10 HB ILE 10 -9.338 3.252 -13.757 63 HG12 ILE 10 1HG1 ILE 10 -10.876 1.735 -12.417 64 HG13 ILE 10 2HG1 ILE 10 -11.473 2.234 -13.990 65 HG21 ILE 10 1HG2 ILE 10 -9.825 2.058 -15.959 66 HG22 ILE 10 2HG2 ILE 10 -8.120 2.431 -15.638 67 HG23 ILE 10 3HG2 ILE 10 -8.724 0.773 -15.409 68 HD11 ILE 10 3HD1 ILE 10 -10.976 0.049 -14.963 69 HD12 ILE 10 1HD1 ILE 10 -10.232 -0.483 -13.436 70 HD13 ILE 10 2HD1 ILE 10 -11.974 -0.142 -13.511 71 H CYS 11 H CYS 11 -6.301 0.062 -13.334 72 HA CYS 11 HA CYS 11 -4.259 2.153 -13.350 73 HB2 CYS 11 1HB CYS 11 -4.432 -0.689 -13.015 74 HB3 CYS 11 2HB CYS 11 -3.279 -0.350 -14.314 75 H SER 12 H SER 12 -4.100 3.403 -15.083 76 HA SER 12 HA SER 12 -4.952 2.573 -17.724 77 HB2 SER 12 1HB SER 12 -3.120 4.900 -17.207 78 HB3 SER 12 2HB SER 12 -4.508 4.788 -18.313 79 HG SER 12 HG SER 12 -5.861 4.800 -16.441 80 H LEU 13 H LEU 13 -3.431 2.658 -19.624 81 HA LEU 13 HA LEU 13 -1.263 0.870 -19.332 82 HB2 LEU 13 1HB LEU 13 -2.082 2.873 -21.428 83 HB3 LEU 13 2HB LEU 13 -0.520 2.071 -21.570 84 HG LEU 13 HG LEU 13 -3.150 0.562 -21.346 85 HD11 LEU 13 1HD1 LEU 13 -2.968 0.238 -23.780 86 HD12 LEU 13 2HD1 LEU 13 -1.533 1.291 -23.822 87 HD13 LEU 13 3HD1 LEU 13 -3.124 1.954 -23.375 88 HD21 LEU 13 3HD2 LEU 13 -1.754 -1.284 -22.321 89 HD22 LEU 13 1HD2 LEU 13 -1.212 -0.793 -20.712 90 HD23 LEU 13 2HD2 LEU 13 -0.322 -0.260 -22.153 91 H TYR 14 H TYR 14 -1.310 4.438 -19.302 92 HA TYR 14 HA TYR 14 1.507 4.778 -19.287 93 HB2 TYR 14 1HB TYR 14 -0.133 6.719 -17.754 94 HB3 TYR 14 2HB TYR 14 1.035 6.995 -19.057 95 HD1 TYR 14 HD2 TYR 14 0.251 6.147 -21.474 96 HD2 TYR 14 HD1 TYR 14 -2.416 6.988 -18.197 97 HE1 TYR 14 HE2 TYR 14 -1.639 6.355 -23.064 98 HE2 TYR 14 HE1 TYR 14 -4.310 7.190 -19.797 99 HH TYR 14 HH TYR 14 -4.941 7.201 -22.013 100 H GLN 15 H GLN 15 -0.850 4.285 -16.659 101 HA GLN 15 HA GLN 15 0.958 4.854 -14.502 102 HB2 GLN 15 1HB GLN 15 -1.485 3.024 -14.575 103 HB3 GLN 15 2HB GLN 15 -0.690 3.604 -13.112 104 HG2 GLN 15 1HG GLN 15 -1.828 5.563 -15.125 105 HG3 GLN 15 2HG GLN 15 -2.864 4.786 -13.924 106 HE21 GLN 15 2HE2 GLN 15 -3.196 5.958 -12.156 107 HE22 GLN 15 1HE2 GLN 15 -2.064 7.107 -11.485 108 H LEU 16 H LEU 16 0.008 1.893 -16.274 109 HA LEU 16 HA LEU 16 1.629 0.122 -14.708 110 HB2 LEU 16 1HB LEU 16 0.705 -0.070 -17.595 111 HB3 LEU 16 2HB LEU 16 1.400 -1.394 -16.680 112 HG LEU 16 HG LEU 16 -1.179 -0.001 -15.920 113 HD11 LEU 16 1HD1 LEU 16 -2.291 -1.994 -16.869 114 HD12 LEU 16 2HD1 LEU 16 -0.713 -2.568 -17.460 115 HD13 LEU 16 3HD1 LEU 16 -1.405 -1.063 -18.091 116 HD21 LEU 16 3HD2 LEU 16 -1.566 -1.991 -14.539 117 HD22 LEU 16 1HD2 LEU 16 -0.104 -1.134 -14.031 118 HD23 LEU 16 2HD2 LEU 16 0.021 -2.631 -14.995 119 H GLU 17 H GLU 17 2.281 1.953 -17.731 120 HA GLU 17 HA GLU 17 4.886 0.881 -18.194 121 HB2 GLU 17 1HB GLU 17 3.662 3.579 -18.859 122 HB3 GLU 17 2HB GLU 17 5.270 3.095 -19.408 123 HG2 GLU 17 1HG GLU 17 2.926 1.320 -20.027 124 HG3 GLU 17 2HG GLU 17 3.145 2.810 -20.948 125 HE2 GLU 17 HE2 GLU 17 5.663 -0.204 -21.352 126 H ASN 18 H ASN 18 3.759 3.530 -16.103 127 HA ASN 18 HA ASN 18 6.335 4.599 -15.461 128 HB2 ASN 18 1HB ASN 18 3.584 4.698 -14.315 129 HB3 ASN 18 2HB ASN 18 4.913 5.070 -13.212 130 HD21 ASN 18 2HD2 ASN 18 3.061 6.136 -15.918 131 HD22 ASN 18 1HD2 ASN 18 3.803 7.711 -16.041 132 H TYR 19 H TYR 19 4.929 1.530 -14.529 133 HA TYR 19 HA TYR 19 6.602 1.419 -12.084 134 HB2 TYR 19 1HB TYR 19 4.869 -0.728 -13.349 135 HB3 TYR 19 2HB TYR 19 5.591 -0.760 -11.735 136 HD1 TYR 19 HD1 TYR 19 4.880 2.373 -11.275 137 HD2 TYR 19 HD2 TYR 19 2.615 -1.097 -12.435 138 HE1 TYR 19 HE1 TYR 19 2.795 3.427 -10.401 139 HE2 TYR 19 HE2 TYR 19 0.543 -0.038 -11.560 140 HH TYR 19 HH TYR 19 -0.385 1.778 -10.605 141 H CYS 20 H CYS 20 7.313 1.334 -15.220 142 HA CYS 20 HA CYS 20 9.468 -0.692 -14.819 143 HB2 CYS 20 1HB CYS 20 7.474 -1.461 -16.261 144 HB3 CYS 20 2HB CYS 20 8.073 -0.310 -17.468 145 H ASN 21 H ASN 21 11.221 -0.469 -16.388 146 HA ASN 21 HA ASN 21 11.974 2.354 -16.776 147 HB2 ASN 21 1HB ASN 21 13.613 0.453 -16.123 148 HB3 ASN 21 2HB ASN 21 13.524 -0.074 -17.805 149 HD21 ASN 21 2HD2 ASN 21 13.778 2.017 -19.399 150 HD22 ASN 21 1HD2 ASN 21 15.166 2.999 -18.968 151 HXT ASN 21 H02 ASN 21 10.077 2.453 -17.871 152 H1 PHE 1 2H0 PHE 1 -4.661 -4.035 -26.147 153 H2 PHE 1 1H0 PHE 1 -6.308 -3.934 -26.120 154 HA PHE 1 HA PHE 1 -5.307 -4.620 -23.939 155 HB2 PHE 1 1HB PHE 1 -3.349 -3.059 -24.364 156 HB3 PHE 1 2HB PHE 1 -4.404 -1.707 -24.019 157 HD1 PHE 1 HD2 PHE 1 -5.240 -1.302 -21.707 158 HD2 PHE 1 HD1 PHE 1 -2.497 -4.509 -22.600 159 HE1 PHE 1 HE2 PHE 1 -4.719 -1.561 -19.296 160 HE2 PHE 1 HE1 PHE 1 -1.969 -4.732 -20.188 161 HZ PHE 1 HZ PHE 1 -3.111 -3.279 -18.538 162 H VAL 2 H VAL 2 -6.439 -4.360 -22.052 163 HA VAL 2 HA VAL 2 -8.757 -2.463 -22.217 164 HB VAL 2 HB VAL 2 -8.656 -5.152 -20.786 165 HG11 VAL 2 1HG1 VAL 2 -10.936 -3.163 -21.192 166 HG12 VAL 2 2HG1 VAL 2 -11.121 -4.790 -20.497 167 HG13 VAL 2 3HG1 VAL 2 -10.150 -3.568 -19.653 168 HG21 VAL 2 3HG2 VAL 2 -10.052 -4.344 -23.375 169 HG22 VAL 2 1HG2 VAL 2 -8.725 -5.520 -23.205 170 HG23 VAL 2 2HG2 VAL 2 -10.311 -5.874 -22.512 171 H ASN 3 H ASN 3 -8.493 -0.836 -20.882 172 HA ASN 3 HA ASN 3 -6.714 -0.892 -18.591 173 HB2 ASN 3 1HB ASN 3 -7.804 1.300 -18.043 174 HB3 ASN 3 2HB ASN 3 -7.153 1.245 -19.692 175 HD21 ASN 3 2HD2 ASN 3 -9.726 2.247 -17.914 176 HD22 ASN 3 1HD2 ASN 3 -10.945 2.260 -19.167 177 H GLN 4 H GLN 4 -7.150 -1.626 -16.597 178 HA GLN 4 HA GLN 4 -9.938 -2.010 -15.705 179 HB2 GLN 4 1HB GLN 4 -9.687 -4.436 -15.457 180 HB3 GLN 4 2HB GLN 4 -9.504 -3.972 -17.147 181 HG2 GLN 4 1HG GLN 4 -7.015 -4.116 -16.888 182 HG3 GLN 4 2HG GLN 4 -7.248 -4.662 -15.225 183 HE21 GLN 4 2HE2 GLN 4 -8.109 -5.440 -18.590 184 HE22 GLN 4 1HE2 GLN 4 -8.130 -7.178 -18.355 185 H HIS 5 H HIS 5 -9.693 -3.503 -13.576 186 HA HIS 5 HA HIS 5 -7.660 -2.199 -11.850 187 HB2 HIS 5 1HB HIS 5 -9.932 -4.178 -11.352 188 HB3 HIS 5 2HB HIS 5 -8.812 -3.641 -10.097 189 HD1 HIS 5 HD1 HIS 5 -8.835 -1.001 -9.530 190 HD2 HIS 5 HD2 HIS 5 -12.088 -2.427 -11.755 191 HE1 HIS 5 HE1 HIS 5 -10.650 0.774 -9.406 192 HE2 HIS 5 HE2 HIS 5 -12.626 -0.124 -10.716 193 H LEU 6 H LEU 6 -5.709 -3.227 -11.469 194 HA LEU 6 HA LEU 6 -5.496 -6.116 -12.346 195 HB2 LEU 6 1HB LEU 6 -3.380 -3.924 -12.184 196 HB3 LEU 6 2HB LEU 6 -3.042 -5.607 -12.469 197 HG LEU 6 HG LEU 6 -2.678 -4.423 -14.458 198 HD11 LEU 6 1HD1 LEU 6 -5.224 -6.032 -14.671 199 HD12 LEU 6 2HD1 LEU 6 -3.541 -6.582 -14.872 200 HD13 LEU 6 3HD1 LEU 6 -4.254 -5.488 -16.062 201 HD21 LEU 6 3HD2 LEU 6 -5.534 -3.489 -14.431 202 HD22 LEU 6 1HD2 LEU 6 -4.291 -3.138 -15.655 203 HD23 LEU 6 2HD2 LEU 6 -4.124 -2.504 -14.010 204 H CYS 7 H CYS 7 -5.320 -7.439 -10.563 205 HA CYS 7 HA CYS 7 -4.176 -6.204 -8.086 206 HB2 CYS 7 1HB CYS 7 -6.774 -6.418 -8.343 207 HB3 CYS 7 2HB CYS 7 -6.493 -8.117 -7.960 208 H GLY 8 H GLY 8 -5.309 -9.411 -9.280 209 HA2 GLY 8 1HA GLY 8 -3.272 -10.763 -7.679 210 HA3 GLY 8 2HA GLY 8 -4.459 -11.515 -8.770 211 H SER 9 H SER 9 -3.029 -12.848 -9.868 212 HA SER 9 HA SER 9 -0.517 -12.101 -10.892 213 HB2 SER 9 1HB SER 9 -1.476 -14.419 -10.677 214 HB3 SER 9 2HB SER 9 -2.413 -14.109 -12.153 215 HG SER 9 HG SER 9 -0.209 -15.158 -12.285 216 H HIS 10 H HIS 10 -3.481 -10.845 -11.895 217 HA HIS 10 HA HIS 10 -3.054 -10.478 -14.714 218 HB2 HIS 10 1HB HIS 10 -4.526 -8.882 -12.556 219 HB3 HIS 10 2HB HIS 10 -4.409 -8.327 -14.217 220 HD1 HIS 10 HD1 HIS 10 -6.843 -8.480 -14.907 221 HD2 HIS 10 HD2 HIS 10 -5.287 -12.069 -13.367 222 HE1 HIS 10 HE1 HIS 10 -8.582 -10.269 -15.307 223 HE2 HIS 10 HE2 HIS 10 -7.633 -12.443 -14.410 224 H LEU 11 H LEU 11 -1.889 -8.859 -11.761 225 HA LEU 11 HA LEU 11 -1.068 -6.474 -13.097 226 HB2 LEU 11 1HB LEU 11 -1.526 -6.730 -10.677 227 HB3 LEU 11 2HB LEU 11 -0.064 -7.688 -10.508 228 HG LEU 11 HG LEU 11 1.353 -5.803 -11.035 229 HD11 LEU 11 1HD1 LEU 11 0.015 -4.597 -12.707 230 HD12 LEU 11 2HD1 LEU 11 0.453 -3.516 -11.371 231 HD13 LEU 11 3HD1 LEU 11 -1.191 -4.181 -11.458 232 HD21 LEU 11 3HD2 LEU 11 0.809 -4.372 -9.134 233 HD22 LEU 11 1HD2 LEU 11 0.525 -6.083 -8.739 234 HD23 LEU 11 2HD2 LEU 11 -0.855 -5.016 -9.109 235 H VAL 12 H VAL 12 0.861 -9.288 -11.958 236 HA VAL 12 HA VAL 12 3.305 -8.324 -13.009 237 HB VAL 12 HB VAL 12 3.462 -10.073 -11.395 238 HG11 VAL 12 1HG1 VAL 12 2.573 -12.346 -11.683 239 HG12 VAL 12 2HG1 VAL 12 1.295 -11.136 -11.632 240 HG13 VAL 12 3HG1 VAL 12 1.784 -11.848 -13.190 241 HG21 VAL 12 3HG2 VAL 12 5.196 -10.218 -13.165 242 HG22 VAL 12 1HG2 VAL 12 4.843 -11.795 -12.453 243 HG23 VAL 12 2HG2 VAL 12 4.188 -11.377 -14.048 244 H GLU 13 H GLU 13 0.738 -10.303 -14.479 245 HA GLU 13 HA GLU 13 2.126 -10.805 -16.931 246 HB2 GLU 13 1HB GLU 13 -0.815 -10.599 -16.251 247 HB3 GLU 13 2HB GLU 13 -0.232 -11.094 -17.835 248 HG2 GLU 13 1HG GLU 13 0.688 -13.109 -16.998 249 HG3 GLU 13 2HG GLU 13 0.622 -12.543 -15.323 250 HE2 GLU 13 HE2 GLU 13 -0.488 -14.026 -14.604 251 H ALA 14 H ALA 14 -0.138 -8.153 -15.987 252 HA ALA 14 HA ALA 14 -0.157 -6.963 -18.579 253 HB1 ALA 14 3HB ALA 14 -1.837 -6.442 -16.841 254 HB2 ALA 14 1HB ALA 14 -0.580 -5.688 -15.834 255 HB3 ALA 14 2HB ALA 14 -1.030 -4.963 -17.389 256 H LEU 15 H LEU 15 1.933 -6.430 -15.702 257 HA LEU 15 HA LEU 15 3.335 -4.224 -16.915 258 HB2 LEU 15 1HB LEU 15 4.183 -6.124 -14.698 259 HB3 LEU 15 2HB LEU 15 5.021 -4.635 -15.138 260 HG LEU 15 HG LEU 15 2.213 -4.823 -14.023 261 HD11 LEU 15 1HD1 LEU 15 3.148 -3.708 -12.053 262 HD12 LEU 15 2HD1 LEU 15 4.760 -3.714 -12.799 263 HD13 LEU 15 3HD1 LEU 15 3.983 -5.243 -12.352 264 HD21 LEU 15 3HD2 LEU 15 3.838 -2.398 -14.769 265 HD22 LEU 15 1HD2 LEU 15 2.273 -2.410 -13.925 266 HD23 LEU 15 2HD2 LEU 15 2.372 -2.993 -15.587 267 H TYR 16 H TYR 16 3.907 -7.748 -16.850 268 HA TYR 16 HA TYR 16 6.472 -7.628 -18.110 269 HB2 TYR 16 1HB TYR 16 5.659 -9.685 -17.076 270 HB3 TYR 16 2HB TYR 16 4.294 -9.746 -18.198 271 HD1 TYR 16 HD1 TYR 16 8.061 -9.830 -18.115 272 HD2 TYR 16 HD2 TYR 16 4.489 -10.865 -20.291 273 HE1 TYR 16 HE1 TYR 16 9.431 -11.122 -19.760 274 HE2 TYR 16 HE2 TYR 16 5.872 -12.157 -21.913 275 HH TYR 16 HH TYR 16 9.398 -12.394 -21.688 276 H LEU 17 H LEU 17 3.140 -7.874 -19.438 277 HA LEU 17 HA LEU 17 4.030 -7.960 -22.165 278 HB2 LEU 17 1HB LEU 17 1.401 -7.214 -20.863 279 HB3 LEU 17 2HB LEU 17 1.615 -7.268 -22.610 280 HG LEU 17 HG LEU 17 2.087 -9.658 -20.798 281 HD11 LEU 17 1HD1 LEU 17 -0.249 -8.891 -20.644 282 HD12 LEU 17 2HD1 LEU 17 -0.141 -10.424 -21.529 283 HD13 LEU 17 3HD1 LEU 17 -0.379 -8.900 -22.418 284 HD21 LEU 17 3HD2 LEU 17 3.222 -9.837 -22.972 285 HD22 LEU 17 1HD2 LEU 17 1.717 -9.421 -23.817 286 HD23 LEU 17 2HD2 LEU 17 1.841 -10.945 -22.905 287 H VAL 18 H VAL 18 3.059 -5.216 -20.051 288 HA VAL 18 HA VAL 18 3.082 -3.396 -22.284 289 HB VAL 18 HB VAL 18 1.814 -3.204 -19.973 290 HG11 VAL 18 1HG1 VAL 18 4.285 -1.567 -19.312 291 HG12 VAL 18 2HG1 VAL 18 2.826 -1.785 -18.333 292 HG13 VAL 18 3HG1 VAL 18 3.915 -3.149 -18.604 293 HG21 VAL 18 3HG2 VAL 18 1.649 -0.756 -20.315 294 HG22 VAL 18 1HG2 VAL 18 3.035 -0.862 -21.427 295 HG23 VAL 18 2HG2 VAL 18 1.524 -1.699 -21.815 296 H CYS 19 H CYS 19 5.558 -4.509 -20.035 297 HA CYS 19 HA CYS 19 7.424 -2.437 -21.102 298 HB2 CYS 19 1HB CYS 19 7.168 -3.262 -18.611 299 HB3 CYS 19 2HB CYS 19 8.293 -4.521 -19.140 300 H GLY 20 H GLY 20 6.459 -5.626 -21.712 301 HA2 GLY 20 1HA GLY 20 6.957 -6.745 -23.691 302 HA3 GLY 20 2HA GLY 20 8.404 -5.749 -23.901 303 H GLU 21 H GLU 21 10.139 -6.169 -22.215 304 HA GLU 21 HA GLU 21 10.214 -9.030 -21.403 305 HB2 GLU 21 1HB GLU 21 12.352 -9.404 -22.460 306 HB3 GLU 21 2HB GLU 21 11.162 -8.910 -23.674 307 HG2 GLU 21 1HG GLU 21 12.113 -6.630 -23.685 308 HG3 GLU 21 2HG GLU 21 13.300 -7.117 -22.468 309 HE2 GLU 21 HE2 GLU 21 15.022 -7.363 -25.488 310 H ARG 22 H ARG 22 11.116 -5.759 -20.854 311 HA ARG 22 HA ARG 22 13.455 -6.306 -19.287 312 HB2 ARG 22 1HB ARG 22 11.743 -3.947 -19.844 313 HB3 ARG 22 2HB ARG 22 12.605 -3.905 -18.310 314 HG2 ARG 22 1HG ARG 22 13.887 -4.285 -21.050 315 HG3 ARG 22 2HG ARG 22 13.865 -2.777 -20.121 316 HD2 ARG 22 1HD ARG 22 15.235 -5.383 -19.303 317 HD3 ARG 22 2HD ARG 22 16.037 -3.916 -19.860 318 HE ARG 22 HE ARG 22 14.802 -4.399 -17.220 319 HH11 ARG 22 1HH1 ARG 22 16.364 -2.042 -19.342 320 HH12 ARG 22 2HH1 ARG 22 16.726 -0.957 -18.022 321 HH21 ARG 22 1HH2 ARG 22 15.285 -2.961 -15.598 322 HH22 ARG 22 2HH2 ARG 22 16.116 -1.466 -15.946 323 H GLY 23 H GLY 23 10.012 -6.215 -18.443 324 HA2 GLY 23 1HA GLY 23 9.059 -6.954 -16.450 325 HA3 GLY 23 2HA GLY 23 10.659 -7.474 -15.900 326 H PHE 24 H PHE 24 9.029 -6.417 -14.017 327 HA PHE 24 HA PHE 24 9.853 -3.559 -13.719 328 HB2 PHE 24 1HB PHE 24 7.856 -3.364 -12.283 329 HB3 PHE 24 2HB PHE 24 7.439 -3.859 -13.922 330 HD1 PHE 24 HD1 PHE 24 6.772 -6.225 -14.379 331 HD2 PHE 24 HD2 PHE 24 7.429 -4.798 -10.374 332 HE1 PHE 24 HE1 PHE 24 5.562 -8.195 -13.487 333 HE2 PHE 24 HE2 PHE 24 6.233 -6.781 -9.460 334 HZ PHE 24 HZ PHE 24 5.297 -8.493 -11.024 335 H PHE 25 H PHE 25 10.091 -2.899 -11.410 336 HA PHE 25 HA PHE 25 11.789 -4.852 -10.024 337 HB2 PHE 25 1HB PHE 25 12.442 -2.465 -10.232 338 HB3 PHE 25 2HB PHE 25 11.024 -2.001 -9.283 339 HD1 PHE 25 HD2 PHE 25 14.215 -3.958 -9.151 340 HD2 PHE 25 HD1 PHE 25 11.091 -2.032 -6.897 341 HE1 PHE 25 HE2 PHE 25 15.549 -4.239 -7.063 342 HE2 PHE 25 HE1 PHE 25 12.419 -2.297 -4.818 343 HZ PHE 25 HZ PHE 25 14.664 -3.395 -4.891 344 H NVA 26 H ARX 26 10.731 -6.384 -9.010 345 HA NVA 26 HA ARX 26 8.240 -5.865 -7.526 346 HB2 NVA 26 1HB ARX 26 7.941 -8.253 -7.476 347 HB3 NVA 26 2HB ARX 26 8.438 -7.827 -9.105 348 HG2 NVA 26 1HG ARX 26 10.692 -8.709 -8.782 349 HG3 NVA 26 2HG ARX 26 10.478 -8.786 -7.038 350 HD2 NVA 26 1HD ARX 26 8.465 -10.453 -7.692 351 HD3 NVA 26 2HD ARX 26 9.426 -10.659 -9.160 352 H THR 27 H THR 27 11.227 -5.398 -6.596 353 HA THR 27 HA THR 27 12.400 -5.122 -4.687 354 HB THR 27 HB THR 27 11.441 -5.053 -2.575 355 HG1 THR 27 HG1 THR 27 9.487 -6.835 -3.596 356 HG21 THR 27 1HG2 THR 27 9.051 -4.489 -4.355 357 HG22 THR 27 2HG2 THR 27 10.439 -3.389 -4.166 358 HG23 THR 27 3HG2 THR 27 9.412 -3.779 -2.768 359 HA PRO 28 HA PRO 28 14.186 -8.948 -4.438 360 HB2 PRO 28 1HB PRO 28 15.261 -9.404 -1.944 361 HB3 PRO 28 2HB PRO 28 15.918 -8.181 -3.092 362 HG2 PRO 28 1HG PRO 28 13.988 -7.778 -0.812 363 HG3 PRO 28 2HG PRO 28 15.507 -6.891 -1.172 364 HD2 PRO 28 1HD PRO 28 13.133 -5.895 -1.908 365 HD3 PRO 28 2HD PRO 28 14.548 -5.762 -3.010 366 H HIX 29 H HIX 29 13.240 -10.821 -4.651 367 HA HIX 29 HA HIX 29 10.984 -11.810 -3.288 368 HB1 HIX 29 1HB HIX 29 13.094 -13.363 -4.875 369 HB2 HIX 29 2HB HIX 29 11.523 -13.993 -4.415 370 HD2 HIX 29 HD2 HIX 29 10.176 -10.733 -5.303 371 HD1 HIX 29 HD1 HIX 29 12.191 -13.730 -7.507 372 H THR 30 H THR 30 11.020 -11.855 -1.154 373 HA THR 30 HA THR 30 12.553 -13.958 0.241 374 HB THR 30 HB THR 30 13.070 -12.261 2.111 375 HG1 THR 30 HG1 THR 30 12.577 -10.457 -0.085 376 HG21 THR 30 1HG2 THR 30 15.166 -11.469 1.134 377 HG22 THR 30 2HG2 THR 30 14.547 -11.687 -0.510 378 HG23 THR 30 3HG2 THR 30 14.866 -13.100 0.506 379 HXT THR 30 H02 THR 30 9.910 -14.204 2.237 Start of MODEL 6 1 H1 GLY 1 2H0 GLY 1 2.273 1.977 -1.920 2 H2 GLY 1 1H0 GLY 1 2.753 0.847 -0.816 3 HA2 GLY 1 1HA GLY 1 0.993 -0.694 -1.490 4 HA3 GLY 1 2HA GLY 1 0.283 0.897 -1.045 5 H ILE 2 H ILE 2 2.158 0.654 -3.770 6 HA ILE 2 HA ILE 2 0.187 1.658 -5.549 7 HB ILE 2 HB ILE 2 2.667 1.881 -5.843 8 HG12 ILE 2 1HG1 ILE 2 2.668 1.570 -8.348 9 HG13 ILE 2 2HG1 ILE 2 1.054 0.825 -8.194 10 HG21 ILE 2 1HG2 ILE 2 2.590 -1.001 -6.942 11 HG22 ILE 2 2HG2 ILE 2 4.001 0.077 -6.856 12 HG23 ILE 2 3HG2 ILE 2 3.262 -0.527 -5.369 13 HD11 ILE 2 3HD1 ILE 2 0.935 3.239 -8.823 14 HD12 ILE 2 1HD1 ILE 2 0.129 2.936 -7.274 15 HD13 ILE 2 2HD1 ILE 2 1.747 3.680 -7.321 16 H VAL 3 H VAL 3 1.076 -1.751 -4.868 17 HA VAL 3 HA VAL 3 -0.387 -2.860 -7.061 18 HB VAL 3 HB VAL 3 0.110 -4.061 -4.275 19 HG11 VAL 3 1HG1 VAL 3 -0.278 -6.255 -5.374 20 HG12 VAL 3 2HG1 VAL 3 -1.723 -5.227 -5.537 21 HG13 VAL 3 3HG1 VAL 3 -0.637 -5.453 -6.922 22 HG21 VAL 3 3HG2 VAL 3 2.215 -3.488 -5.435 23 HG22 VAL 3 1HG2 VAL 3 2.011 -5.239 -5.439 24 HG23 VAL 3 2HG2 VAL 3 1.659 -4.304 -6.924 25 H GLU 4 H GLU 4 -1.287 -2.033 -3.685 26 HA GLU 4 HA GLU 4 -3.960 -2.965 -3.849 27 HB2 GLU 4 1HB GLU 4 -2.568 -2.296 -1.827 28 HB3 GLU 4 2HB GLU 4 -3.037 -0.631 -2.191 29 HG2 GLU 4 1HG GLU 4 -5.396 -1.229 -1.990 30 HG3 GLU 4 2HG GLU 4 -4.943 -2.918 -1.678 31 HE2 GLU 4 HE2 GLU 4 -4.990 -3.361 0.214 32 H GLN 5 H GLN 5 -2.496 0.237 -4.649 33 HA GLN 5 HA GLN 5 -5.014 1.491 -5.142 34 HB2 GLN 5 1HB GLN 5 -2.256 2.137 -6.183 35 HB3 GLN 5 2HB GLN 5 -3.663 3.177 -6.440 36 HG2 GLN 5 1HG GLN 5 -3.903 3.311 -3.942 37 HG3 GLN 5 2HG GLN 5 -2.403 2.387 -3.771 38 HE21 GLN 5 2HE2 GLN 5 -3.546 5.362 -3.442 39 HE22 GLN 5 1HE2 GLN 5 -2.152 6.305 -3.995 40 H CYS 6 H CYS 6 -2.685 -0.167 -7.323 41 HA CYS 6 HA CYS 6 -4.217 0.276 -9.711 42 HB2 CYS 6 1HB CYS 6 -1.769 -0.309 -9.453 43 HB3 CYS 6 2HB CYS 6 -2.294 -1.958 -9.052 44 H CYS 7 H CYS 7 -4.498 -1.987 -7.055 45 HA CYS 7 HA CYS 7 -6.284 -3.797 -8.505 46 HB2 CYS 7 1HB CYS 7 -4.884 -4.568 -6.631 47 HB3 CYS 7 2HB CYS 7 -5.732 -3.475 -5.533 48 H THR 8 H THR 8 -6.754 -1.322 -5.935 49 HA THR 8 HA THR 8 -9.614 -1.797 -5.969 50 HB THR 8 HB THR 8 -8.322 -1.094 -3.939 51 HG1 THR 8 HG1 THR 8 -10.007 0.432 -3.307 52 HG21 THR 8 1HG2 THR 8 -8.477 1.722 -5.130 53 HG22 THR 8 2HG2 THR 8 -6.991 0.724 -5.040 54 HG23 THR 8 3HG2 THR 8 -7.794 1.245 -3.554 55 H SER 9 H SER 9 -7.504 0.400 -7.711 56 HA SER 9 HA SER 9 -9.934 1.770 -8.818 57 HB2 SER 9 1HB SER 9 -8.051 3.146 -7.728 58 HB3 SER 9 2HB SER 9 -7.044 2.649 -9.108 59 HG SER 9 HG SER 9 -8.026 4.602 -9.556 60 H ILE 10 H ILE 10 -9.449 2.443 -11.208 61 HA ILE 10 HA ILE 10 -8.789 -0.024 -12.658 62 HB ILE 10 HB ILE 10 -9.787 2.713 -13.557 63 HG12 ILE 10 1HG1 ILE 10 -11.455 1.204 -12.351 64 HG13 ILE 10 2HG1 ILE 10 -11.906 1.706 -13.977 65 HG21 ILE 10 1HG2 ILE 10 -8.486 1.941 -15.393 66 HG22 ILE 10 2HG2 ILE 10 -9.093 0.268 -15.231 67 HG23 ILE 10 3HG2 ILE 10 -10.172 1.562 -15.819 68 HD11 ILE 10 3HD1 ILE 10 -12.488 -0.650 -13.542 69 HD12 ILE 10 1HD1 ILE 10 -11.352 -0.483 -14.895 70 HD13 ILE 10 2HD1 ILE 10 -10.746 -1.023 -13.313 71 H CYS 11 H CYS 11 -6.791 -0.338 -13.566 72 HA CYS 11 HA CYS 11 -4.802 1.817 -13.182 73 HB2 CYS 11 1HB CYS 11 -4.795 -1.011 -13.111 74 HB3 CYS 11 2HB CYS 11 -3.798 -0.529 -14.477 75 H SER 12 H SER 12 -3.273 2.307 -14.931 76 HA SER 12 HA SER 12 -4.563 2.228 -17.612 77 HB2 SER 12 1HB SER 12 -2.939 4.620 -16.979 78 HB3 SER 12 2HB SER 12 -4.474 4.514 -17.852 79 HG SER 12 HG SER 12 -5.519 4.388 -15.834 80 H LEU 13 H LEU 13 -3.122 2.541 -19.422 81 HA LEU 13 HA LEU 13 -0.943 0.823 -19.379 82 HB2 LEU 13 1HB LEU 13 -2.155 1.229 -21.368 83 HB3 LEU 13 2HB LEU 13 -2.071 2.983 -21.147 84 HG LEU 13 HG LEU 13 0.264 2.940 -21.735 85 HD11 LEU 13 1HD1 LEU 13 1.263 0.964 -22.808 86 HD12 LEU 13 2HD1 LEU 13 -0.198 0.041 -22.403 87 HD13 LEU 13 3HD1 LEU 13 0.839 0.671 -21.113 88 HD21 LEU 13 3HD2 LEU 13 -0.093 2.552 -24.152 89 HD22 LEU 13 1HD2 LEU 13 -1.459 3.419 -23.408 90 HD23 LEU 13 2HD2 LEU 13 -1.606 1.671 -23.765 91 H TYR 14 H TYR 14 -1.117 4.386 -19.243 92 HA TYR 14 HA TYR 14 1.699 4.835 -19.387 93 HB2 TYR 14 1HB TYR 14 -0.039 6.762 -17.889 94 HB3 TYR 14 2HB TYR 14 1.122 7.047 -19.212 95 HD1 TYR 14 HD2 TYR 14 0.345 6.217 -21.611 96 HD2 TYR 14 HD1 TYR 14 -2.357 6.655 -18.283 97 HE1 TYR 14 HE2 TYR 14 -1.610 6.136 -23.150 98 HE2 TYR 14 HE1 TYR 14 -4.276 6.592 -19.833 99 HH TYR 14 HH TYR 14 -3.897 6.189 -23.330 100 H GLN 15 H GLN 15 -0.496 4.282 -16.665 101 HA GLN 15 HA GLN 15 1.418 4.961 -14.606 102 HB2 GLN 15 1HB GLN 15 -0.885 2.960 -14.406 103 HB3 GLN 15 2HB GLN 15 -0.015 3.718 -13.083 104 HG2 GLN 15 1HG GLN 15 -0.859 5.977 -14.207 105 HG3 GLN 15 2HG GLN 15 -2.053 4.896 -14.964 106 HE21 GLN 15 2HE2 GLN 15 -3.921 4.860 -13.854 107 HE22 GLN 15 1HE2 GLN 15 -4.062 4.970 -12.109 108 H LEU 16 H LEU 16 0.496 1.897 -16.250 109 HA LEU 16 HA LEU 16 2.350 0.264 -14.807 110 HB2 LEU 16 1HB LEU 16 1.303 -0.038 -17.638 111 HB3 LEU 16 2HB LEU 16 2.180 -1.267 -16.750 112 HG LEU 16 HG LEU 16 -0.494 -0.145 -15.886 113 HD11 LEU 16 1HD1 LEU 16 -1.398 -2.247 -16.763 114 HD12 LEU 16 2HD1 LEU 16 0.221 -2.686 -17.358 115 HD13 LEU 16 3HD1 LEU 16 -0.612 -1.276 -18.035 116 HD21 LEU 16 3HD2 LEU 16 0.782 -1.081 -14.035 117 HD22 LEU 16 1HD2 LEU 16 0.971 -2.593 -14.952 118 HD23 LEU 16 2HD2 LEU 16 -0.648 -2.055 -14.432 119 H GLU 17 H GLU 17 2.738 2.174 -17.830 120 HA GLU 17 HA GLU 17 5.395 1.275 -18.422 121 HB2 GLU 17 1HB GLU 17 3.917 3.819 -19.060 122 HB3 GLU 17 2HB GLU 17 5.581 3.541 -19.578 123 HG2 GLU 17 1HG GLU 17 4.880 1.481 -20.740 124 HG3 GLU 17 2HG GLU 17 3.198 1.796 -20.287 125 HE2 GLU 17 HE2 GLU 17 5.179 1.936 -22.557 126 H ASN 18 H ASN 18 4.169 3.860 -16.251 127 HA ASN 18 HA ASN 18 6.799 4.855 -15.605 128 HB2 ASN 18 1HB ASN 18 4.085 5.086 -14.344 129 HB3 ASN 18 2HB ASN 18 5.514 5.626 -13.470 130 HD21 ASN 18 2HD2 ASN 18 3.112 6.974 -14.949 131 HD22 ASN 18 1HD2 ASN 18 3.911 8.234 -15.832 132 H TYR 19 H TYR 19 5.206 1.895 -14.628 133 HA TYR 19 HA TYR 19 6.745 1.705 -12.118 134 HB2 TYR 19 1HB TYR 19 5.263 -0.491 -13.597 135 HB3 TYR 19 2HB TYR 19 5.866 -0.551 -11.937 136 HD1 TYR 19 HD2 TYR 19 4.636 2.584 -11.682 137 HD2 TYR 19 HD1 TYR 19 3.181 -1.362 -12.545 138 HE1 TYR 19 HE2 TYR 19 2.348 3.239 -10.903 139 HE2 TYR 19 HE1 TYR 19 0.932 -0.732 -11.754 140 HH TYR 19 HH TYR 19 -0.406 0.919 -10.981 141 H CYS 20 H CYS 20 7.374 1.332 -15.432 142 HA CYS 20 HA CYS 20 9.727 -0.372 -14.837 143 HB2 CYS 20 1HB CYS 20 9.400 -1.498 -16.979 144 HB3 CYS 20 2HB CYS 20 8.094 -1.792 -15.859 145 H ASN 21 H ASN 21 10.717 -0.252 -17.511 146 HA ASN 21 HA ASN 21 11.903 2.385 -17.374 147 HB2 ASN 21 1HB ASN 21 13.055 0.272 -18.291 148 HB3 ASN 21 2HB ASN 21 12.138 0.514 -19.773 149 HD21 ASN 21 2HD2 ASN 21 14.539 1.842 -17.604 150 HD22 ASN 21 1HD2 ASN 21 15.244 2.950 -18.750 151 HXT ASN 21 H02 ASN 21 9.880 4.202 -19.176 152 H1 PHE 1 2H0 PHE 1 -5.556 -2.172 -26.095 153 H2 PHE 1 1H0 PHE 1 -5.581 -0.564 -25.825 154 HA PHE 1 HA PHE 1 -4.428 -2.582 -24.026 155 HB2 PHE 1 1HB PHE 1 -3.136 -0.455 -24.149 156 HB3 PHE 1 2HB PHE 1 -4.591 0.451 -23.728 157 HD1 PHE 1 HD2 PHE 1 -2.006 -1.882 -22.508 158 HD2 PHE 1 HD1 PHE 1 -5.527 0.386 -21.438 159 HE1 PHE 1 HE2 PHE 1 -1.521 -2.245 -20.097 160 HE2 PHE 1 HE1 PHE 1 -5.046 -0.003 -19.034 161 HZ PHE 1 HZ PHE 1 -3.039 -1.344 -18.370 162 H VAL 2 H VAL 2 -5.637 -3.247 -22.350 163 HA VAL 2 HA VAL 2 -8.463 -2.291 -22.315 164 HB VAL 2 HB VAL 2 -7.335 -4.838 -21.125 165 HG11 VAL 2 1HG1 VAL 2 -9.401 -4.101 -19.992 166 HG12 VAL 2 2HG1 VAL 2 -10.213 -3.902 -21.549 167 HG13 VAL 2 3HG1 VAL 2 -9.739 -5.523 -20.984 168 HG21 VAL 2 3HG2 VAL 2 -8.806 -4.373 -23.748 169 HG22 VAL 2 1HG2 VAL 2 -7.141 -4.962 -23.544 170 HG23 VAL 2 2HG2 VAL 2 -8.500 -5.989 -23.051 171 H ASN 3 H ASN 3 -8.766 -0.772 -20.887 172 HA ASN 3 HA ASN 3 -7.254 -0.552 -18.404 173 HB2 ASN 3 1HB ASN 3 -9.769 0.806 -19.441 174 HB3 ASN 3 2HB ASN 3 -8.980 1.254 -17.922 175 HD21 ASN 3 2HD2 ASN 3 -6.714 1.923 -18.058 176 HD22 ASN 3 1HD2 ASN 3 -6.242 2.836 -19.495 177 H GLN 4 H GLN 4 -7.614 -1.632 -16.573 178 HA GLN 4 HA GLN 4 -10.296 -2.406 -15.775 179 HB2 GLN 4 1HB GLN 4 -9.867 -4.810 -15.702 180 HB3 GLN 4 2HB GLN 4 -9.785 -4.226 -17.374 181 HG2 GLN 4 1HG GLN 4 -7.337 -4.306 -17.384 182 HG3 GLN 4 2HG GLN 4 -7.332 -4.724 -15.672 183 HE21 GLN 4 2HE2 GLN 4 -8.767 -5.868 -18.749 184 HE22 GLN 4 1HE2 GLN 4 -8.533 -7.573 -18.408 185 H HIS 5 H HIS 5 -10.089 -3.774 -13.679 186 HA HIS 5 HA HIS 5 -8.138 -2.523 -11.876 187 HB2 HIS 5 1HB HIS 5 -10.220 -4.731 -11.520 188 HB3 HIS 5 2HB HIS 5 -9.164 -4.176 -10.238 189 HD1 HIS 5 HD1 HIS 5 -9.447 -1.687 -9.396 190 HD2 HIS 5 HD2 HIS 5 -12.484 -3.072 -11.925 191 HE1 HIS 5 HE1 HIS 5 -11.394 -0.070 -9.204 192 HE2 HIS 5 HE2 HIS 5 -13.222 -0.931 -10.677 193 H LEU 6 H LEU 6 -6.252 -3.531 -11.058 194 HA LEU 6 HA LEU 6 -5.705 -6.273 -12.145 195 HB2 LEU 6 1HB LEU 6 -3.766 -3.960 -11.878 196 HB3 LEU 6 2HB LEU 6 -3.333 -5.583 -12.380 197 HG LEU 6 HG LEU 6 -5.124 -3.697 -13.936 198 HD11 LEU 6 1HD1 LEU 6 -3.231 -3.406 -15.436 199 HD12 LEU 6 2HD1 LEU 6 -2.229 -4.449 -14.379 200 HD13 LEU 6 3HD1 LEU 6 -2.815 -2.884 -13.782 201 HD21 LEU 6 3HD2 LEU 6 -3.831 -6.308 -14.781 202 HD22 LEU 6 1HD2 LEU 6 -4.787 -5.226 -15.821 203 HD23 LEU 6 2HD2 LEU 6 -5.559 -6.046 -14.459 204 H CYS 7 H CYS 7 -5.668 -7.626 -10.438 205 HA CYS 7 HA CYS 7 -4.251 -6.676 -7.960 206 HB2 CYS 7 1HB CYS 7 -6.585 -8.628 -8.084 207 HB3 CYS 7 2HB CYS 7 -5.856 -7.935 -6.639 208 H GLY 8 H GLY 8 -2.966 -8.261 -6.883 209 HA2 GLY 8 1HA GLY 8 -1.589 -10.098 -6.814 210 HA3 GLY 8 2HA GLY 8 -2.951 -10.983 -7.523 211 H SER 9 H SER 9 -2.074 -12.260 -9.040 212 HA SER 9 HA SER 9 0.218 -11.708 -10.566 213 HB2 SER 9 1HB SER 9 -2.044 -13.418 -11.572 214 HB3 SER 9 2HB SER 9 -0.291 -13.690 -11.680 215 HG SER 9 HG SER 9 -0.511 -14.788 -9.881 216 H HIS 10 H HIS 10 -2.974 -10.375 -11.103 217 HA HIS 10 HA HIS 10 -2.668 -10.089 -13.973 218 HB2 HIS 10 1HB HIS 10 -4.506 -9.073 -11.893 219 HB3 HIS 10 2HB HIS 10 -4.220 -7.947 -13.224 220 HD1 HIS 10 HD1 HIS 10 -6.356 -8.147 -14.600 221 HD2 HIS 10 HD2 HIS 10 -4.694 -11.874 -13.614 222 HE1 HIS 10 HE1 HIS 10 -7.690 -9.892 -15.833 223 HE2 HIS 10 HE2 HIS 10 -6.668 -12.136 -15.272 224 H LEU 11 H LEU 11 -1.421 -8.319 -11.215 225 HA LEU 11 HA LEU 11 -0.769 -5.872 -12.586 226 HB2 LEU 11 1HB LEU 11 -0.474 -6.945 -10.021 227 HB3 LEU 11 2HB LEU 11 1.174 -6.783 -10.564 228 HG LEU 11 HG LEU 11 0.830 -4.901 -9.326 229 HD11 LEU 11 1HD1 LEU 11 0.672 -2.910 -10.720 230 HD12 LEU 11 2HD1 LEU 11 0.005 -3.868 -12.063 231 HD13 LEU 11 3HD1 LEU 11 1.676 -4.140 -11.504 232 HD21 LEU 11 3HD2 LEU 11 -1.147 -3.598 -9.222 233 HD22 LEU 11 1HD2 LEU 11 -1.564 -5.321 -9.019 234 HD23 LEU 11 2HD2 LEU 11 -1.880 -4.492 -10.559 235 H VAL 12 H VAL 12 1.201 -8.810 -11.849 236 HA VAL 12 HA VAL 12 3.394 -7.825 -13.374 237 HB VAL 12 HB VAL 12 4.344 -10.144 -13.087 238 HG11 VAL 12 1HG1 VAL 12 3.268 -8.827 -10.552 239 HG12 VAL 12 2HG1 VAL 12 4.690 -9.888 -10.668 240 HG13 VAL 12 3HG1 VAL 12 4.682 -8.297 -11.477 241 HG21 VAL 12 3HG2 VAL 12 2.262 -11.445 -13.003 242 HG22 VAL 12 1HG2 VAL 12 3.226 -11.694 -11.534 243 HG23 VAL 12 2HG2 VAL 12 1.800 -10.635 -11.481 244 H GLU 13 H GLU 13 0.652 -9.901 -14.223 245 HA GLU 13 HA GLU 13 1.694 -10.718 -16.771 246 HB2 GLU 13 1HB GLU 13 -1.099 -10.225 -15.677 247 HB3 GLU 13 2HB GLU 13 -0.847 -10.689 -17.366 248 HG2 GLU 13 1HG GLU 13 0.182 -12.795 -16.675 249 HG3 GLU 13 2HG GLU 13 0.158 -12.311 -14.977 250 HE2 GLU 13 HE2 GLU 13 -0.949 -14.420 -16.368 251 H ALA 14 H ALA 14 -0.124 -7.787 -15.709 252 HA ALA 14 HA ALA 14 -0.280 -6.679 -18.330 253 HB1 ALA 14 3HB ALA 14 -0.196 -5.170 -15.732 254 HB2 ALA 14 1HB ALA 14 -0.938 -4.661 -17.265 255 HB3 ALA 14 2HB ALA 14 -1.654 -5.987 -16.359 256 H LEU 15 H LEU 15 2.150 -6.365 -15.734 257 HA LEU 15 HA LEU 15 3.731 -4.461 -17.164 258 HB2 LEU 15 1HB LEU 15 4.510 -6.460 -15.028 259 HB3 LEU 15 2HB LEU 15 5.571 -5.197 -15.655 260 HG LEU 15 HG LEU 15 3.006 -4.773 -14.093 261 HD11 LEU 15 1HD1 LEU 15 5.909 -4.198 -13.388 262 HD12 LEU 15 2HD1 LEU 15 4.975 -5.600 -12.803 263 HD13 LEU 15 3HD1 LEU 15 4.493 -3.949 -12.344 264 HD21 LEU 15 3HD2 LEU 15 4.937 -2.780 -15.329 265 HD22 LEU 15 1HD2 LEU 15 3.708 -2.370 -14.146 266 HD23 LEU 15 2HD2 LEU 15 3.220 -2.986 -15.701 267 H TYR 16 H TYR 16 3.674 -7.998 -17.208 268 HA TYR 16 HA TYR 16 6.139 -8.317 -18.675 269 HB2 TYR 16 1HB TYR 16 5.095 -10.217 -17.573 270 HB3 TYR 16 2HB TYR 16 3.626 -10.047 -18.549 271 HD1 TYR 16 HD2 TYR 16 7.268 -10.920 -18.745 272 HD2 TYR 16 HD1 TYR 16 3.483 -10.937 -20.756 273 HE1 TYR 16 HE2 TYR 16 8.235 -12.369 -20.535 274 HE2 TYR 16 HE1 TYR 16 4.440 -12.369 -22.563 275 HH TYR 16 HH TYR 16 6.295 -13.507 -23.291 276 H LEU 17 H LEU 17 2.694 -7.878 -19.593 277 HA LEU 17 HA LEU 17 3.163 -7.948 -22.445 278 HB2 LEU 17 1HB LEU 17 1.034 -6.694 -20.679 279 HB3 LEU 17 2HB LEU 17 0.934 -6.665 -22.443 280 HG LEU 17 HG LEU 17 1.140 -9.265 -20.900 281 HD11 LEU 17 1HD1 LEU 17 -1.329 -9.445 -21.151 282 HD12 LEU 17 2HD1 LEU 17 -1.382 -7.787 -21.767 283 HD13 LEU 17 3HD1 LEU 17 -0.852 -8.103 -20.104 284 HD21 LEU 17 3HD2 LEU 17 0.205 -8.630 -23.713 285 HD22 LEU 17 1HD2 LEU 17 0.182 -10.242 -22.961 286 HD23 LEU 17 2HD2 LEU 17 1.722 -9.426 -23.262 287 H VAL 18 H VAL 18 3.194 -5.200 -20.072 288 HA VAL 18 HA VAL 18 3.351 -3.310 -22.256 289 HB VAL 18 HB VAL 18 2.218 -3.046 -19.900 290 HG11 VAL 18 1HG1 VAL 18 3.482 -2.072 -18.140 291 HG12 VAL 18 2HG1 VAL 18 4.501 -3.398 -18.704 292 HG13 VAL 18 3HG1 VAL 18 4.869 -1.736 -19.186 293 HG21 VAL 18 3HG2 VAL 18 2.213 -1.366 -21.666 294 HG22 VAL 18 1HG2 VAL 18 2.428 -0.603 -20.082 295 HG23 VAL 18 2HG2 VAL 18 3.819 -0.798 -21.158 296 H CYS 19 H CYS 19 5.749 -4.829 -20.224 297 HA CYS 19 HA CYS 19 7.827 -3.162 -21.566 298 HB2 CYS 19 1HB CYS 19 7.200 -3.369 -18.676 299 HB3 CYS 19 2HB CYS 19 8.901 -3.570 -19.079 300 H GLY 20 H GLY 20 6.887 -6.288 -20.230 301 HA2 GLY 20 1HA GLY 20 7.957 -8.329 -20.311 302 HA3 GLY 20 2HA GLY 20 8.832 -7.686 -21.718 303 H GLU 21 H GLU 21 10.949 -7.860 -21.518 304 HA GLU 21 HA GLU 21 12.259 -8.375 -19.018 305 HB2 GLU 21 1HB GLU 21 13.311 -7.617 -21.767 306 HB3 GLU 21 2HB GLU 21 14.349 -8.040 -20.401 307 HG2 GLU 21 1HG GLU 21 13.294 -10.273 -20.250 308 HG3 GLU 21 2HG GLU 21 12.298 -9.875 -21.663 309 HE2 GLU 21 HE2 GLU 21 13.867 -11.914 -21.594 310 H ARG 22 H ARG 22 11.279 -5.353 -20.397 311 HA ARG 22 HA ARG 22 13.432 -3.844 -18.994 312 HB2 ARG 22 1HB ARG 22 11.037 -2.919 -20.587 313 HB3 ARG 22 2HB ARG 22 12.286 -1.881 -19.962 314 HG2 ARG 22 1HG ARG 22 13.555 -3.934 -21.495 315 HG3 ARG 22 2HG ARG 22 12.198 -3.293 -22.430 316 HD2 ARG 22 1HD ARG 22 14.153 -1.974 -22.942 317 HD3 ARG 22 2HD ARG 22 13.035 -0.984 -21.992 318 HE ARG 22 HE ARG 22 14.492 -1.573 -20.018 319 HH11 ARG 22 1HH1 ARG 22 15.908 -1.658 -23.296 320 HH12 ARG 22 2HH1 ARG 22 17.515 -1.359 -22.692 321 HH21 ARG 22 1HH2 ARG 22 16.616 -1.272 -19.349 322 HH22 ARG 22 2HH2 ARG 22 17.910 -1.172 -20.513 323 H GLY 23 H GLY 23 10.873 -5.470 -17.889 324 HA2 GLY 23 1HA GLY 23 9.872 -3.251 -16.160 325 HA3 GLY 23 2HA GLY 23 8.945 -4.659 -16.639 326 H PHE 24 H PHE 24 8.474 -5.594 -14.811 327 HA PHE 24 HA PHE 24 10.122 -5.537 -12.474 328 HB2 PHE 24 1HB PHE 24 8.440 -6.901 -11.452 329 HB3 PHE 24 2HB PHE 24 7.583 -5.790 -12.528 330 HD1 PHE 24 HD2 PHE 24 6.939 -6.682 -14.887 331 HD2 PHE 24 HD1 PHE 24 8.131 -9.233 -11.671 332 HE1 PHE 24 HE2 PHE 24 5.938 -8.601 -16.058 333 HE2 PHE 24 HE1 PHE 24 7.081 -11.172 -12.814 334 HZ PHE 24 HZ PHE 24 5.978 -10.873 -15.022 335 H PHE 25 H PHE 25 10.793 -7.489 -11.369 336 HA PHE 25 HA PHE 25 12.442 -9.107 -13.131 337 HB2 PHE 25 1HB PHE 25 12.942 -8.164 -10.738 338 HB3 PHE 25 2HB PHE 25 12.098 -9.601 -10.167 339 HD1 PHE 25 HD1 PHE 25 12.956 -11.922 -11.101 340 HD2 PHE 25 HD2 PHE 25 15.209 -8.259 -11.272 341 HE1 PHE 25 HE1 PHE 25 15.055 -13.228 -11.395 342 HE2 PHE 25 HE2 PHE 25 17.312 -9.546 -11.591 343 HZ PHE 25 HZ PHE 25 17.232 -12.045 -11.650 344 H NVA 26 H ARX 26 11.482 -10.613 -14.266 345 HA NVA 26 HA ARX 26 9.621 -12.557 -12.967 346 HB2 NVA 26 1HB ARX 26 8.958 -11.211 -15.160 347 HB3 NVA 26 2HB ARX 26 10.002 -12.345 -15.985 348 HG2 NVA 26 1HG ARX 26 8.637 -14.262 -15.012 349 HG3 NVA 26 2HG ARX 26 7.574 -13.089 -14.221 350 HD2 NVA 26 1HD ARX 26 6.332 -12.833 -16.092 351 HD3 NVA 26 2HD ARX 26 7.744 -12.424 -17.096 352 H THR 27 H THR 27 9.967 -14.709 -13.024 353 HA THR 27 HA THR 27 12.724 -15.667 -13.354 354 HB THR 27 HB THR 27 11.580 -17.910 -12.758 355 HG1 THR 27 HG1 THR 27 9.460 -16.879 -13.400 356 HG21 THR 27 1HG2 THR 27 12.745 -16.564 -11.060 357 HG22 THR 27 2HG2 THR 27 11.270 -17.279 -10.382 358 HG23 THR 27 3HG2 THR 27 11.296 -15.559 -10.826 359 HA PRO 28 HA PRO 28 12.281 -16.792 -17.515 360 HB2 PRO 28 1HB PRO 28 13.191 -19.624 -16.922 361 HB3 PRO 28 2HB PRO 28 13.832 -18.429 -18.097 362 HG2 PRO 28 1HG PRO 28 15.150 -18.868 -15.875 363 HG3 PRO 28 2HG PRO 28 14.908 -17.196 -16.436 364 HD2 PRO 28 1HD PRO 28 13.359 -18.735 -14.335 365 HD3 PRO 28 2HD PRO 28 14.079 -17.078 -14.240 366 H HIX 29 H HIX 29 10.349 -16.859 -18.370 367 HA HIX 29 HA HIX 29 8.263 -18.762 -17.883 368 HB1 HIX 29 1HB HIX 29 8.623 -16.676 -20.119 369 HB2 HIX 29 2HB HIX 29 7.168 -17.643 -19.899 370 HD2 HIX 29 HD2 HIX 29 8.962 -14.494 -18.382 371 HD1 HIX 29 HD1 HIX 29 5.642 -17.022 -17.587 372 H THR 30 H THR 30 9.081 -20.783 -18.178 373 HA THR 30 HA THR 30 9.243 -21.793 -20.983 374 HB THR 30 HB THR 30 11.194 -23.275 -20.451 375 HG1 THR 30 HG1 THR 30 11.734 -21.558 -18.268 376 HG21 THR 30 1HG2 THR 30 11.875 -20.313 -20.041 377 HG22 THR 30 2HG2 THR 30 11.571 -21.067 -21.609 378 HG23 THR 30 3HG2 THR 30 12.967 -21.568 -20.636 379 HXT THR 30 H02 THR 30 9.640 -22.911 -17.857 Start of MODEL 7 1 H1 GLY 1 2H0 GLY 1 -0.033 -1.188 -0.038 2 H2 GLY 1 1H0 GLY 1 -1.357 -0.649 -0.829 3 HA2 GLY 1 1HA GLY 1 0.209 1.142 -0.836 4 HA3 GLY 1 2HA GLY 1 1.464 0.032 -1.435 5 H ILE 2 H ILE 2 2.041 0.514 -3.398 6 HA ILE 2 HA ILE 2 0.302 1.861 -5.255 7 HB ILE 2 HB ILE 2 2.851 1.934 -5.280 8 HG12 ILE 2 1HG1 ILE 2 3.027 1.844 -7.802 9 HG13 ILE 2 2HG1 ILE 2 1.375 1.229 -7.839 10 HG21 ILE 2 1HG2 ILE 2 4.109 0.172 -6.426 11 HG22 ILE 2 2HG2 ILE 2 3.266 -0.528 -5.035 12 HG23 ILE 2 3HG2 ILE 2 2.632 -0.781 -6.683 13 HD11 ILE 2 3HD1 ILE 2 0.523 3.310 -6.867 14 HD12 ILE 2 1HD1 ILE 2 2.181 3.909 -6.616 15 HD13 ILE 2 2HD1 ILE 2 1.550 3.700 -8.264 16 H VAL 3 H VAL 3 0.914 -1.494 -4.463 17 HA VAL 3 HA VAL 3 -0.348 -2.688 -6.747 18 HB VAL 3 HB VAL 3 -0.060 -3.669 -3.855 19 HG11 VAL 3 1HG1 VAL 3 -0.457 -5.949 -4.778 20 HG12 VAL 3 2HG1 VAL 3 -1.879 -4.905 -4.950 21 HG13 VAL 3 3HG1 VAL 3 -0.843 -5.234 -6.356 22 HG21 VAL 3 3HG2 VAL 3 1.589 -4.250 -6.357 23 HG22 VAL 3 1HG2 VAL 3 2.112 -3.304 -4.942 24 HG23 VAL 3 2HG2 VAL 3 1.805 -5.040 -4.779 25 H GLU 4 H GLU 4 -1.521 -1.673 -3.505 26 HA GLU 4 HA GLU 4 -4.197 -2.505 -3.891 27 HB2 GLU 4 1HB GLU 4 -3.009 -1.843 -1.749 28 HB3 GLU 4 2HB GLU 4 -3.252 -0.155 -2.221 29 HG2 GLU 4 1HG GLU 4 -5.671 -0.502 -2.224 30 HG3 GLU 4 2HG GLU 4 -5.430 -2.211 -1.828 31 HE2 GLU 4 HE2 GLU 4 -6.109 -0.806 1.266 32 H GLN 5 H GLN 5 -2.515 0.568 -4.685 33 HA GLN 5 HA GLN 5 -4.867 1.954 -5.547 34 HB2 GLN 5 1HB GLN 5 -1.927 2.202 -6.113 35 HB3 GLN 5 2HB GLN 5 -3.073 3.116 -7.098 36 HG2 GLN 5 1HG GLN 5 -3.204 3.260 -4.086 37 HG3 GLN 5 2HG GLN 5 -2.036 4.232 -4.995 38 HE21 GLN 5 2HE2 GLN 5 -2.805 6.259 -4.915 39 HE22 GLN 5 1HE2 GLN 5 -4.416 6.732 -5.392 40 H CYS 6 H CYS 6 -2.505 -0.031 -7.436 41 HA CYS 6 HA CYS 6 -3.851 0.331 -9.935 42 HB2 CYS 6 1HB CYS 6 -1.479 -0.448 -9.454 43 HB3 CYS 6 2HB CYS 6 -2.157 -2.022 -9.049 44 H CYS 7 H CYS 7 -4.415 -1.783 -7.205 45 HA CYS 7 HA CYS 7 -6.207 -3.585 -8.621 46 HB2 CYS 7 1HB CYS 7 -4.880 -4.157 -6.580 47 HB3 CYS 7 2HB CYS 7 -5.907 -3.070 -5.644 48 H THR 8 H THR 8 -6.725 -0.883 -6.257 49 HA THR 8 HA THR 8 -9.594 -1.285 -6.411 50 HB THR 8 HB THR 8 -8.391 -0.468 -4.355 51 HG1 THR 8 HG1 THR 8 -10.526 1.037 -5.480 52 HG21 THR 8 1HG2 THR 8 -6.940 1.227 -5.580 53 HG22 THR 8 2HG2 THR 8 -7.749 1.818 -4.117 54 HG23 THR 8 3HG2 THR 8 -8.389 2.249 -5.717 55 H SER 9 H SER 9 -7.350 0.774 -8.167 56 HA SER 9 HA SER 9 -9.694 2.238 -9.332 57 HB2 SER 9 1HB SER 9 -8.136 3.886 -10.093 58 HB3 SER 9 2HB SER 9 -7.810 3.597 -8.374 59 HG SER 9 HG SER 9 -6.059 2.274 -8.986 60 H ILE 10 H ILE 10 -9.309 2.693 -11.783 61 HA ILE 10 HA ILE 10 -8.690 0.084 -13.040 62 HB ILE 10 HB ILE 10 -9.797 2.737 -14.073 63 HG12 ILE 10 1HG1 ILE 10 -11.304 1.073 -12.863 64 HG13 ILE 10 2HG1 ILE 10 -11.823 1.568 -14.468 65 HG21 ILE 10 1HG2 ILE 10 -8.380 2.041 -15.852 66 HG22 ILE 10 2HG2 ILE 10 -8.846 0.332 -15.673 67 HG23 ILE 10 3HG2 ILE 10 -10.017 1.518 -16.305 68 HD11 ILE 10 3HD1 ILE 10 -11.099 -0.547 -15.453 69 HD12 ILE 10 1HD1 ILE 10 -10.403 -1.065 -13.897 70 HD13 ILE 10 2HD1 ILE 10 -12.160 -0.860 -14.069 71 H CYS 11 H CYS 11 -6.655 -0.321 -13.383 72 HA CYS 11 HA CYS 11 -4.666 1.765 -13.120 73 HB2 CYS 11 1HB CYS 11 -4.762 -0.837 -12.497 74 HB3 CYS 11 2HB CYS 11 -4.014 -0.976 -14.088 75 H SER 12 H SER 12 -3.882 2.956 -14.701 76 HA SER 12 HA SER 12 -4.669 2.309 -17.475 77 HB2 SER 12 1HB SER 12 -3.266 4.755 -16.384 78 HB3 SER 12 2HB SER 12 -4.053 4.593 -17.958 79 HG SER 12 HG SER 12 -5.367 4.348 -15.438 80 H LEU 13 H LEU 13 -3.169 2.706 -19.226 81 HA LEU 13 HA LEU 13 -0.900 1.029 -19.073 82 HB2 LEU 13 1HB LEU 13 -1.831 3.142 -21.022 83 HB3 LEU 13 2HB LEU 13 -0.295 2.314 -21.260 84 HG LEU 13 HG LEU 13 -2.919 0.817 -20.982 85 HD11 LEU 13 1HD1 LEU 13 -1.496 1.727 -23.519 86 HD12 LEU 13 2HD1 LEU 13 -3.056 2.343 -22.919 87 HD13 LEU 13 3HD1 LEU 13 -2.910 0.652 -23.442 88 HD21 LEU 13 3HD2 LEU 13 -0.942 -0.550 -20.585 89 HD22 LEU 13 1HD2 LEU 13 -0.162 0.084 -22.054 90 HD23 LEU 13 2HD2 LEU 13 -1.596 -0.952 -22.179 91 H TYR 14 H TYR 14 -1.132 4.569 -18.714 92 HA TYR 14 HA TYR 14 1.677 5.043 -18.857 93 HB2 TYR 14 1HB TYR 14 0.140 6.803 -17.051 94 HB3 TYR 14 2HB TYR 14 1.133 7.200 -18.461 95 HD1 TYR 14 HD1 TYR 14 0.093 6.487 -20.805 96 HD2 TYR 14 HD2 TYR 14 -2.189 7.018 -17.193 97 HE1 TYR 14 HE1 TYR 14 -1.966 6.721 -22.138 98 HE2 TYR 14 HE2 TYR 14 -4.254 7.266 -18.538 99 HH TYR 14 HH TYR 14 -5.162 7.345 -20.660 100 H GLN 15 H GLN 15 -0.549 4.312 -16.182 101 HA GLN 15 HA GLN 15 1.344 4.720 -14.066 102 HB2 GLN 15 1HB GLN 15 -1.104 2.911 -14.149 103 HB3 GLN 15 2HB GLN 15 -0.249 3.435 -12.695 104 HG2 GLN 15 1HG GLN 15 -0.861 5.782 -13.168 105 HG3 GLN 15 2HG GLN 15 -1.693 5.274 -14.639 106 HE21 GLN 15 2HE2 GLN 15 -2.011 5.836 -11.312 107 HE22 GLN 15 1HE2 GLN 15 -3.599 5.131 -11.121 108 H LEU 16 H LEU 16 0.309 1.892 -16.000 109 HA LEU 16 HA LEU 16 2.014 0.029 -14.638 110 HB2 LEU 16 1HB LEU 16 0.930 0.046 -17.471 111 HB3 LEU 16 2HB LEU 16 1.735 -1.321 -16.721 112 HG LEU 16 HG LEU 16 -0.823 -0.084 -15.688 113 HD11 LEU 16 1HD1 LEU 16 -1.159 -1.063 -17.887 114 HD12 LEU 16 2HD1 LEU 16 -1.913 -2.074 -16.642 115 HD13 LEU 16 3HD1 LEU 16 -0.360 -2.564 -17.364 116 HD21 LEU 16 3HD2 LEU 16 0.593 -2.659 -14.936 117 HD22 LEU 16 1HD2 LEU 16 -1.032 -2.184 -14.395 118 HD23 LEU 16 2HD2 LEU 16 0.368 -1.218 -13.911 119 H GLU 17 H GLU 17 2.566 2.142 -17.483 120 HA GLU 17 HA GLU 17 5.184 1.125 -18.074 121 HB2 GLU 17 1HB GLU 17 3.756 3.725 -18.637 122 HB3 GLU 17 2HB GLU 17 5.457 3.514 -19.062 123 HG2 GLU 17 1HG GLU 17 3.724 1.300 -19.958 124 HG3 GLU 17 2HG GLU 17 3.323 2.870 -20.669 125 HE2 GLU 17 HE2 GLU 17 5.013 0.291 -21.001 126 H ASN 18 H ASN 18 4.027 3.528 -15.706 127 HA ASN 18 HA ASN 18 6.682 4.458 -15.033 128 HB2 ASN 18 1HB ASN 18 3.985 4.565 -13.668 129 HB3 ASN 18 2HB ASN 18 5.445 5.156 -12.892 130 HD21 ASN 18 2HD2 ASN 18 2.942 6.461 -14.007 131 HD22 ASN 18 1HD2 ASN 18 3.580 7.767 -14.976 132 H TYR 19 H TYR 19 5.285 1.389 -14.531 133 HA TYR 19 HA TYR 19 6.921 0.955 -12.062 134 HB2 TYR 19 1HB TYR 19 5.056 -1.007 -13.419 135 HB3 TYR 19 2HB TYR 19 5.758 -1.134 -11.810 136 HD1 TYR 19 HD1 TYR 19 5.073 1.996 -11.226 137 HD2 TYR 19 HD2 TYR 19 2.812 -1.434 -12.514 138 HE1 TYR 19 HE1 TYR 19 2.991 3.005 -10.313 139 HE2 TYR 19 HE2 TYR 19 0.747 -0.419 -11.607 140 HH TYR 19 HH TYR 19 0.734 2.752 -9.982 141 H CYS 20 H CYS 20 7.560 1.192 -15.158 142 HA CYS 20 HA CYS 20 9.063 -1.381 -15.413 143 HB2 CYS 20 1HB CYS 20 8.361 0.710 -17.498 144 HB3 CYS 20 2HB CYS 20 9.226 -0.795 -17.795 145 H ASN 21 H ASN 21 11.202 -1.384 -16.097 146 HA ASN 21 HA ASN 21 12.906 0.714 -15.093 147 HB2 ASN 21 1HB ASN 21 13.540 -1.727 -15.285 148 HB3 ASN 21 2HB ASN 21 13.550 -1.560 -17.039 149 HD21 ASN 21 2HD2 ASN 21 15.751 -2.204 -17.014 150 HD22 ASN 21 1HD2 ASN 21 16.986 -1.050 -16.587 151 HXT ASN 21 H02 ASN 21 13.299 2.792 -17.636 152 H1 PHE 1 2H0 PHE 1 -3.357 -4.921 -25.866 153 H2 PHE 1 1H0 PHE 1 -4.966 -4.650 -26.137 154 HA PHE 1 HA PHE 1 -4.375 -5.079 -23.740 155 HB2 PHE 1 1HB PHE 1 -2.242 -3.699 -24.044 156 HB3 PHE 1 2HB PHE 1 -3.249 -2.261 -24.019 157 HD1 PHE 1 HD1 PHE 1 -4.348 -1.515 -21.918 158 HD2 PHE 1 HD2 PHE 1 -1.834 -5.017 -22.033 159 HE1 PHE 1 HE1 PHE 1 -4.242 -1.532 -19.441 160 HE2 PHE 1 HE2 PHE 1 -1.731 -5.021 -19.563 161 HZ PHE 1 HZ PHE 1 -2.954 -3.295 -18.264 162 H VAL 2 H VAL 2 -5.708 -4.393 -22.074 163 HA VAL 2 HA VAL 2 -7.547 -2.156 -22.700 164 HB VAL 2 HB VAL 2 -8.764 -4.183 -23.411 165 HG11 VAL 2 1HG1 VAL 2 -9.415 -5.949 -21.868 166 HG12 VAL 2 2HG1 VAL 2 -7.645 -5.839 -21.921 167 HG13 VAL 2 3HG1 VAL 2 -8.538 -5.164 -20.536 168 HG21 VAL 2 3HG2 VAL 2 -10.811 -3.830 -22.140 169 HG22 VAL 2 1HG2 VAL 2 -9.904 -3.057 -20.821 170 HG23 VAL 2 2HG2 VAL 2 -10.001 -2.276 -22.419 171 H ASN 3 H ASN 3 -7.818 -0.825 -21.076 172 HA ASN 3 HA ASN 3 -6.282 -1.138 -18.651 173 HB2 ASN 3 1HB ASN 3 -7.542 0.958 -17.981 174 HB3 ASN 3 2HB ASN 3 -6.639 1.085 -19.495 175 HD21 ASN 3 2HD2 ASN 3 -9.552 1.732 -18.046 176 HD22 ASN 3 1HD2 ASN 3 -10.525 1.913 -19.485 177 H GLN 4 H GLN 4 -6.872 -1.854 -16.676 178 HA GLN 4 HA GLN 4 -9.676 -2.498 -16.056 179 HB2 GLN 4 1HB GLN 4 -9.249 -4.917 -15.873 180 HB3 GLN 4 2HB GLN 4 -8.977 -4.369 -17.531 181 HG2 GLN 4 1HG GLN 4 -6.519 -4.280 -17.056 182 HG3 GLN 4 2HG GLN 4 -6.845 -4.960 -15.459 183 HE21 GLN 4 2HE2 GLN 4 -7.032 -5.535 -18.930 184 HE22 GLN 4 1HE2 GLN 4 -6.996 -7.284 -18.820 185 H HIS 5 H HIS 5 -9.528 -3.956 -13.912 186 HA HIS 5 HA HIS 5 -7.698 -2.572 -12.034 187 HB2 HIS 5 1HB HIS 5 -9.832 -4.740 -11.706 188 HB3 HIS 5 2HB HIS 5 -8.875 -4.087 -10.375 189 HD1 HIS 5 HD1 HIS 5 -9.238 -1.500 -9.777 190 HD2 HIS 5 HD2 HIS 5 -12.072 -3.182 -12.371 191 HE1 HIS 5 HE1 HIS 5 -11.231 0.089 -9.831 192 HE2 HIS 5 HE2 HIS 5 -12.944 -0.964 -11.374 193 H LEU 6 H LEU 6 -5.728 -3.500 -11.394 194 HA LEU 6 HA LEU 6 -5.334 -6.413 -12.057 195 HB2 LEU 6 1HB LEU 6 -3.301 -4.162 -12.124 196 HB3 LEU 6 2HB LEU 6 -2.919 -5.855 -12.208 197 HG LEU 6 HG LEU 6 -2.548 -5.117 -14.313 198 HD11 LEU 6 1HD1 LEU 6 -3.802 -7.112 -14.553 199 HD12 LEU 6 2HD1 LEU 6 -4.331 -6.008 -15.815 200 HD13 LEU 6 3HD1 LEU 6 -5.349 -6.253 -14.377 201 HD21 LEU 6 3HD2 LEU 6 -4.016 -3.699 -15.643 202 HD22 LEU 6 1HD2 LEU 6 -3.476 -2.933 -14.143 203 HD23 LEU 6 2HD2 LEU 6 -5.125 -3.575 -14.260 204 H CYS 7 H CYS 7 -4.926 -7.603 -10.232 205 HA CYS 7 HA CYS 7 -4.103 -6.035 -7.820 206 HB2 CYS 7 1HB CYS 7 -6.533 -7.099 -8.179 207 HB3 CYS 7 2HB CYS 7 -5.735 -8.507 -7.480 208 H GLY 8 H GLY 8 -4.392 -9.563 -8.515 209 HA2 GLY 8 1HA GLY 8 -1.922 -10.018 -7.002 210 HA3 GLY 8 2HA GLY 8 -2.980 -11.248 -7.714 211 H SER 9 H SER 9 -1.743 -12.469 -9.065 212 HA SER 9 HA SER 9 0.568 -11.617 -10.409 213 HB2 SER 9 1HB SER 9 -1.152 -13.667 -11.717 214 HB3 SER 9 2HB SER 9 0.572 -13.731 -11.278 215 HG SER 9 HG SER 9 -0.127 -14.854 -9.634 216 H HIS 10 H HIS 10 -2.690 -10.869 -11.163 217 HA HIS 10 HA HIS 10 -2.540 -10.428 -13.955 218 HB2 HIS 10 1HB HIS 10 -4.241 -9.626 -11.709 219 HB3 HIS 10 2HB HIS 10 -4.094 -8.349 -12.908 220 HD1 HIS 10 HD1 HIS 10 -5.776 -8.485 -14.823 221 HD2 HIS 10 HD2 HIS 10 -5.001 -12.215 -13.057 222 HE1 HIS 10 HE1 HIS 10 -7.274 -10.176 -15.980 223 HE2 HIS 10 HE2 HIS 10 -6.796 -12.424 -14.913 224 H LEU 11 H LEU 11 -1.274 -8.512 -11.231 225 HA LEU 11 HA LEU 11 -0.852 -6.120 -12.776 226 HB2 LEU 11 1HB LEU 11 -0.575 -6.970 -10.115 227 HB3 LEU 11 2HB LEU 11 1.058 -6.527 -10.602 228 HG LEU 11 HG LEU 11 -1.300 -4.678 -11.022 229 HD11 LEU 11 1HD1 LEU 11 -1.284 -5.280 -8.687 230 HD12 LEU 11 2HD1 LEU 11 -0.683 -3.624 -8.886 231 HD13 LEU 11 3HD1 LEU 11 0.463 -4.947 -8.580 232 HD21 LEU 11 3HD2 LEU 11 1.683 -4.171 -10.736 233 HD22 LEU 11 1HD2 LEU 11 0.429 -2.915 -10.907 234 HD23 LEU 11 2HD2 LEU 11 0.732 -4.061 -12.236 235 H VAL 12 H VAL 12 1.374 -8.800 -11.829 236 HA VAL 12 HA VAL 12 3.523 -7.666 -13.377 237 HB VAL 12 HB VAL 12 4.634 -9.904 -13.093 238 HG11 VAL 12 1HG1 VAL 12 4.954 -8.048 -11.506 239 HG12 VAL 12 2HG1 VAL 12 3.550 -8.603 -10.564 240 HG13 VAL 12 3HG1 VAL 12 5.006 -9.618 -10.680 241 HG21 VAL 12 3HG2 VAL 12 2.593 -11.317 -12.962 242 HG22 VAL 12 1HG2 VAL 12 3.687 -11.554 -11.586 243 HG23 VAL 12 2HG2 VAL 12 2.218 -10.582 -11.385 244 H GLU 13 H GLU 13 0.885 -9.896 -14.175 245 HA GLU 13 HA GLU 13 1.958 -10.701 -16.719 246 HB2 GLU 13 1HB GLU 13 -0.857 -10.425 -15.633 247 HB3 GLU 13 2HB GLU 13 -0.533 -10.971 -17.280 248 HG2 GLU 13 1HG GLU 13 0.665 -12.907 -16.486 249 HG3 GLU 13 2HG GLU 13 0.586 -12.337 -14.817 250 HE2 GLU 13 HE2 GLU 13 -0.586 -14.317 -16.826 251 H ALA 14 H ALA 14 -0.048 -7.893 -15.671 252 HA ALA 14 HA ALA 14 -0.372 -6.850 -18.321 253 HB1 ALA 14 3HB ALA 14 -1.763 -6.172 -16.385 254 HB2 ALA 14 1HB ALA 14 -0.350 -5.377 -15.654 255 HB3 ALA 14 2HB ALA 14 -1.018 -4.775 -17.188 256 H LEU 15 H LEU 15 2.118 -6.355 -15.782 257 HA LEU 15 HA LEU 15 3.534 -4.351 -17.288 258 HB2 LEU 15 1HB LEU 15 4.507 -6.239 -15.138 259 HB3 LEU 15 2HB LEU 15 5.420 -4.880 -15.788 260 HG LEU 15 HG LEU 15 2.838 -4.703 -14.228 261 HD11 LEU 15 1HD1 LEU 15 4.893 -5.281 -12.932 262 HD12 LEU 15 2HD1 LEU 15 4.200 -3.696 -12.500 263 HD13 LEU 15 3HD1 LEU 15 5.645 -3.783 -13.535 264 HD21 LEU 15 3HD2 LEU 15 3.219 -2.265 -14.321 265 HD22 LEU 15 1HD2 LEU 15 2.871 -2.963 -15.901 266 HD23 LEU 15 2HD2 LEU 15 4.544 -2.533 -15.469 267 H TYR 16 H TYR 16 3.697 -7.881 -17.221 268 HA TYR 16 HA TYR 16 6.073 -8.104 -18.805 269 HB2 TYR 16 1HB TYR 16 5.195 -10.022 -17.604 270 HB3 TYR 16 2HB TYR 16 3.659 -9.919 -18.467 271 HD1 TYR 16 HD1 TYR 16 7.278 -10.752 -18.875 272 HD2 TYR 16 HD2 TYR 16 3.361 -10.867 -20.659 273 HE1 TYR 16 HE1 TYR 16 8.127 -12.277 -20.662 274 HE2 TYR 16 HE2 TYR 16 4.225 -12.385 -22.443 275 HH TYR 16 HH TYR 16 7.615 -13.476 -22.549 276 H LEU 17 H LEU 17 2.570 -7.829 -19.611 277 HA LEU 17 HA LEU 17 3.018 -8.015 -22.455 278 HB2 LEU 17 1HB LEU 17 0.755 -6.859 -20.807 279 HB3 LEU 17 2HB LEU 17 0.717 -6.956 -22.564 280 HG LEU 17 HG LEU 17 1.010 -9.380 -20.755 281 HD11 LEU 17 1HD1 LEU 17 -1.134 -8.254 -20.354 282 HD12 LEU 17 2HD1 LEU 17 -1.377 -9.783 -21.224 283 HD13 LEU 17 3HD1 LEU 17 -1.469 -8.237 -22.103 284 HD21 LEU 17 3HD2 LEU 17 0.307 -10.619 -22.796 285 HD22 LEU 17 1HD2 LEU 17 1.850 -9.776 -23.019 286 HD23 LEU 17 2HD2 LEU 17 0.363 -9.099 -23.718 287 H VAL 18 H VAL 18 2.855 -5.206 -20.225 288 HA VAL 18 HA VAL 18 2.834 -3.381 -22.494 289 HB VAL 18 HB VAL 18 1.679 -3.068 -20.172 290 HG11 VAL 18 1HG1 VAL 18 4.196 -1.615 -19.411 291 HG12 VAL 18 2HG1 VAL 18 2.816 -2.089 -18.414 292 HG13 VAL 18 3HG1 VAL 18 3.966 -3.311 -18.967 293 HG21 VAL 18 3HG2 VAL 18 1.629 -1.419 -21.977 294 HG22 VAL 18 1HG2 VAL 18 1.787 -0.618 -20.397 295 HG23 VAL 18 2HG2 VAL 18 3.203 -0.782 -21.465 296 H CYS 19 H CYS 19 5.356 -4.738 -20.487 297 HA CYS 19 HA CYS 19 7.331 -2.981 -21.884 298 HB2 CYS 19 1HB CYS 19 7.188 -3.692 -18.949 299 HB3 CYS 19 2HB CYS 19 8.600 -2.983 -19.720 300 H GLY 20 H GLY 20 6.713 -6.148 -20.335 301 HA2 GLY 20 1HA GLY 20 7.833 -8.140 -20.635 302 HA3 GLY 20 2HA GLY 20 8.596 -7.410 -22.050 303 H GLU 21 H GLU 21 10.704 -7.557 -21.994 304 HA GLU 21 HA GLU 21 12.191 -8.214 -19.651 305 HB2 GLU 21 1HB GLU 21 13.074 -7.134 -22.347 306 HB3 GLU 21 2HB GLU 21 14.177 -7.734 -21.101 307 HG2 GLU 21 1HG GLU 21 13.071 -9.955 -21.210 308 HG3 GLU 21 2HG GLU 21 12.030 -9.358 -22.512 309 HE2 GLU 21 HE2 GLU 21 14.693 -11.034 -24.080 310 H ARG 22 H ARG 22 11.343 -5.067 -21.007 311 HA ARG 22 HA ARG 22 13.337 -3.759 -19.204 312 HB2 ARG 22 1HB ARG 22 12.716 -1.686 -20.321 313 HB3 ARG 22 2HB ARG 22 13.243 -2.899 -21.486 314 HG2 ARG 22 1HG ARG 22 11.059 -3.259 -22.303 315 HG3 ARG 22 2HG ARG 22 10.308 -2.474 -20.908 316 HD2 ARG 22 1HD ARG 22 11.993 -1.057 -22.985 317 HD3 ARG 22 2HD ARG 22 10.217 -1.104 -22.955 318 HE ARG 22 HE ARG 22 11.304 -0.178 -20.439 319 HH11 ARG 22 1HH1 ARG 22 10.500 0.925 -23.702 320 HH12 ARG 22 2HH1 ARG 22 10.330 2.584 -23.194 321 HH21 ARG 22 1HH2 ARG 22 11.093 1.935 -19.873 322 HH22 ARG 22 2HH2 ARG 22 10.646 3.143 -21.053 323 H GLY 23 H GLY 23 10.792 -5.250 -18.440 324 HA2 GLY 23 1HA GLY 23 9.115 -3.096 -17.357 325 HA3 GLY 23 2HA GLY 23 8.804 -4.830 -17.297 326 H PHE 24 H PHE 24 8.640 -5.485 -15.345 327 HA PHE 24 HA PHE 24 10.049 -4.201 -13.110 328 HB2 PHE 24 1HB PHE 24 8.590 -5.584 -11.745 329 HB3 PHE 24 2HB PHE 24 7.618 -4.810 -13.000 330 HD1 PHE 24 HD2 PHE 24 6.941 -6.200 -15.058 331 HD2 PHE 24 HD1 PHE 24 8.714 -7.955 -11.555 332 HE1 PHE 24 HE2 PHE 24 6.130 -8.411 -15.772 333 HE2 PHE 24 HE1 PHE 24 7.925 -10.196 -12.281 334 HZ PHE 24 HZ PHE 24 6.640 -10.436 -14.404 335 H PHE 25 H PHE 25 10.865 -5.893 -11.440 336 HA PHE 25 HA PHE 25 12.045 -8.268 -12.768 337 HB2 PHE 25 1HB PHE 25 13.576 -6.097 -12.545 338 HB3 PHE 25 2HB PHE 25 13.805 -6.709 -10.907 339 HD1 PHE 25 HD1 PHE 25 14.936 -8.899 -10.545 340 HD2 PHE 25 HD2 PHE 25 14.421 -7.243 -14.483 341 HE1 PHE 25 HE1 PHE 25 16.660 -10.476 -11.435 342 HE2 PHE 25 HE2 PHE 25 16.135 -8.812 -15.379 343 HZ PHE 25 HZ PHE 25 17.246 -10.445 -13.858 344 H NVA 26 H ARX 26 10.964 -9.778 -11.709 345 HA NVA 26 HA ARX 26 10.624 -9.695 -8.753 346 HB2 NVA 26 1HB ARX 26 8.605 -10.129 -10.175 347 HB3 NVA 26 2HB ARX 26 9.371 -11.579 -10.823 348 HG2 NVA 26 1HG ARX 26 9.464 -12.457 -8.386 349 HG3 NVA 26 2HG ARX 26 8.484 -11.078 -7.918 350 HD2 NVA 26 1HD ARX 26 6.575 -11.978 -8.856 351 HD3 NVA 26 2HD ARX 26 7.416 -12.703 -10.202 352 H THR 27 H THR 27 12.227 -11.563 -11.186 353 HA THR 27 HA THR 27 13.756 -13.204 -11.305 354 HB THR 27 HB THR 27 15.060 -13.935 -9.553 355 HG1 THR 27 HG1 THR 27 12.998 -13.073 -7.807 356 HG21 THR 27 1HG2 THR 27 15.886 -12.012 -8.416 357 HG22 THR 27 2HG2 THR 27 14.330 -11.176 -8.576 358 HG23 THR 27 3HG2 THR 27 15.327 -11.491 -10.016 359 HA PRO 28 HA PRO 28 10.952 -16.413 -11.274 360 HB2 PRO 28 1HB PRO 28 12.299 -18.789 -11.253 361 HB3 PRO 28 2HB PRO 28 12.379 -17.640 -12.626 362 HG2 PRO 28 1HG PRO 28 14.305 -17.982 -10.341 363 HG3 PRO 28 2HG PRO 28 14.636 -17.929 -12.103 364 HD2 PRO 28 1HD PRO 28 14.932 -15.751 -10.532 365 HD3 PRO 28 2HD PRO 28 14.315 -15.616 -12.212 366 H HIX 29 H HIX 29 9.549 -16.696 -9.731 367 HA HIX 29 HA HIX 29 9.889 -17.188 -6.978 368 HB1 HIX 29 1HB HIX 29 7.488 -17.899 -8.768 369 HB2 HIX 29 2HB HIX 29 7.455 -17.873 -7.014 370 HD2 HIX 29 HD2 HIX 29 8.488 -15.114 -9.815 371 HD1 HIX 29 HD1 HIX 29 6.479 -15.560 -6.126 372 H THR 30 H THR 30 11.196 -18.773 -6.356 373 HA THR 30 HA THR 30 10.468 -21.623 -6.784 374 HB THR 30 HB THR 30 12.925 -22.146 -7.279 375 HG1 THR 30 HG1 THR 30 12.978 -19.356 -8.007 376 HG21 THR 30 1HG2 THR 30 11.599 -20.414 -9.443 377 HG22 THR 30 2HG2 THR 30 11.220 -22.120 -9.160 378 HG23 THR 30 3HG2 THR 30 12.846 -21.644 -9.687 379 HXT THR 30 H02 THR 30 13.069 -19.947 -5.631 Start of MODEL 8 1 H1 GLY 1 2H0 GLY 1 2.368 -1.887 -0.811 2 H2 GLY 1 1H0 GLY 1 0.798 -1.540 -1.149 3 HA2 GLY 1 1HA GLY 1 2.095 0.490 -1.328 4 HA3 GLY 1 2HA GLY 1 3.147 -0.340 -2.516 5 H ILE 2 H ILE 2 2.841 0.383 -4.457 6 HA ILE 2 HA ILE 2 0.436 1.714 -5.297 7 HB ILE 2 HB ILE 2 2.886 1.965 -6.194 8 HG12 ILE 2 1HG1 ILE 2 1.994 2.577 -8.501 9 HG13 ILE 2 2HG1 ILE 2 0.425 1.970 -7.971 10 HG21 ILE 2 1HG2 ILE 2 1.951 -0.246 -8.108 11 HG22 ILE 2 2HG2 ILE 2 3.478 0.654 -8.157 12 HG23 ILE 2 3HG2 ILE 2 3.177 -0.462 -6.814 13 HD11 ILE 2 3HD1 ILE 2 1.999 4.260 -6.659 14 HD12 ILE 2 1HD1 ILE 2 0.597 4.432 -7.735 15 HD13 ILE 2 2HD1 ILE 2 0.387 3.679 -6.129 16 H VAL 3 H VAL 3 1.242 -1.594 -5.004 17 HA VAL 3 HA VAL 3 -0.396 -2.806 -6.988 18 HB VAL 3 HB VAL 3 0.210 -3.636 -4.103 19 HG11 VAL 3 1HG1 VAL 3 -0.997 -5.281 -6.371 20 HG12 VAL 3 2HG1 VAL 3 -0.348 -5.970 -4.862 21 HG13 VAL 3 3HG1 VAL 3 -1.747 -4.871 -4.820 22 HG21 VAL 3 3HG2 VAL 3 1.898 -5.143 -5.154 23 HG22 VAL 3 1HG2 VAL 3 1.521 -4.437 -6.732 24 HG23 VAL 3 2HG2 VAL 3 2.245 -3.431 -5.456 25 H GLU 4 H GLU 4 -1.116 -1.442 -3.749 26 HA GLU 4 HA GLU 4 -3.809 -2.287 -3.634 27 HB2 GLU 4 1HB GLU 4 -2.343 -1.378 -1.789 28 HB3 GLU 4 2HB GLU 4 -2.625 0.245 -2.451 29 HG2 GLU 4 1HG GLU 4 -5.025 -0.015 -2.053 30 HG3 GLU 4 2HG GLU 4 -4.777 -1.671 -1.488 31 HE2 GLU 4 HE2 GLU 4 -4.579 -1.883 0.412 32 H GLN 5 H GLN 5 -2.304 0.691 -4.946 33 HA GLN 5 HA GLN 5 -4.795 1.925 -5.626 34 HB2 GLN 5 1HB GLN 5 -2.011 2.294 -6.793 35 HB3 GLN 5 2HB GLN 5 -3.383 3.344 -7.102 36 HG2 GLN 5 1HG GLN 5 -2.088 2.887 -4.411 37 HG3 GLN 5 2HG GLN 5 -1.899 4.307 -5.445 38 HE21 GLN 5 2HE2 GLN 5 -3.593 5.812 -5.632 39 HE22 GLN 5 1HE2 GLN 5 -4.935 5.801 -4.553 40 H CYS 6 H CYS 6 -2.534 -0.130 -7.492 41 HA CYS 6 HA CYS 6 -3.945 0.104 -9.949 42 HB2 CYS 6 1HB CYS 6 -1.554 -0.797 -9.280 43 HB3 CYS 6 2HB CYS 6 -2.381 -2.342 -9.142 44 H CYS 7 H CYS 7 -4.418 -1.843 -7.095 45 HA CYS 7 HA CYS 7 -6.309 -3.651 -8.357 46 HB2 CYS 7 1HB CYS 7 -4.893 -4.271 -6.405 47 HB3 CYS 7 2HB CYS 7 -5.755 -3.085 -5.426 48 H THR 8 H THR 8 -6.629 -0.935 -5.987 49 HA THR 8 HA THR 8 -9.503 -1.259 -5.954 50 HB THR 8 HB THR 8 -8.114 -0.415 -4.021 51 HG1 THR 8 HG1 THR 8 -9.699 1.275 -3.517 52 HG21 THR 8 1HG2 THR 8 -6.777 1.258 -5.435 53 HG22 THR 8 2HG2 THR 8 -7.406 1.835 -3.873 54 HG23 THR 8 3HG2 THR 8 -8.235 2.283 -5.380 55 H SER 9 H SER 9 -7.351 0.730 -7.925 56 HA SER 9 HA SER 9 -9.779 2.092 -9.052 57 HB2 SER 9 1HB SER 9 -8.369 3.902 -9.784 58 HB3 SER 9 2HB SER 9 -8.013 3.617 -8.062 59 HG SER 9 HG SER 9 -6.195 2.339 -8.782 60 H ILE 10 H ILE 10 -9.273 2.665 -11.493 61 HA ILE 10 HA ILE 10 -8.609 0.084 -12.761 62 HB ILE 10 HB ILE 10 -9.655 2.731 -13.875 63 HG12 ILE 10 1HG1 ILE 10 -11.247 1.261 -12.541 64 HG13 ILE 10 2HG1 ILE 10 -11.750 1.664 -14.184 65 HG21 ILE 10 1HG2 ILE 10 -9.988 1.388 -16.012 66 HG22 ILE 10 2HG2 ILE 10 -8.304 1.784 -15.621 67 HG23 ILE 10 3HG2 ILE 10 -8.929 0.148 -15.309 68 HD11 ILE 10 3HD1 ILE 10 -12.199 -0.695 -13.538 69 HD12 ILE 10 1HD1 ILE 10 -11.224 -0.560 -15.004 70 HD13 ILE 10 2HD1 ILE 10 -10.474 -0.987 -13.431 71 H CYS 11 H CYS 11 -6.576 -0.324 -13.265 72 HA CYS 11 HA CYS 11 -4.573 1.794 -13.167 73 HB2 CYS 11 1HB CYS 11 -4.618 -1.043 -12.945 74 HB3 CYS 11 2HB CYS 11 -3.618 -0.646 -14.361 75 H SER 12 H SER 12 -3.239 2.431 -14.942 76 HA SER 12 HA SER 12 -4.536 2.058 -17.606 77 HB2 SER 12 1HB SER 12 -3.154 4.596 -17.178 78 HB3 SER 12 2HB SER 12 -4.761 4.297 -17.897 79 HG SER 12 HG SER 12 -5.384 3.863 -15.594 80 H LEU 13 H LEU 13 -3.108 2.425 -19.440 81 HA LEU 13 HA LEU 13 -0.754 0.929 -19.274 82 HB2 LEU 13 1HB LEU 13 -1.750 2.979 -21.239 83 HB3 LEU 13 2HB LEU 13 -0.227 2.165 -21.485 84 HG LEU 13 HG LEU 13 -2.806 0.631 -21.148 85 HD11 LEU 13 1HD1 LEU 13 -3.103 2.166 -23.045 86 HD12 LEU 13 2HD1 LEU 13 -2.907 0.492 -23.609 87 HD13 LEU 13 3HD1 LEU 13 -1.552 1.637 -23.737 88 HD21 LEU 13 3HD2 LEU 13 -0.736 -0.653 -20.867 89 HD22 LEU 13 1HD2 LEU 13 -0.110 -0.026 -22.402 90 HD23 LEU 13 2HD2 LEU 13 -1.521 -1.093 -22.382 91 H TYR 14 H TYR 14 -1.091 4.484 -19.207 92 HA TYR 14 HA TYR 14 1.670 5.048 -19.222 93 HB2 TYR 14 1HB TYR 14 -0.082 6.815 -17.596 94 HB3 TYR 14 2HB TYR 14 1.033 7.205 -18.916 95 HD1 TYR 14 HD1 TYR 14 0.295 6.530 -21.343 96 HD2 TYR 14 HD2 TYR 14 -2.428 6.693 -17.990 97 HE1 TYR 14 HE1 TYR 14 -1.631 6.641 -22.883 98 HE2 TYR 14 HE2 TYR 14 -4.334 6.777 -19.558 99 HH TYR 14 HH TYR 14 -3.915 6.780 -23.121 100 H GLN 15 H GLN 15 -0.538 4.325 -16.541 101 HA GLN 15 HA GLN 15 1.348 5.010 -14.464 102 HB2 GLN 15 1HB GLN 15 -0.945 2.997 -14.336 103 HB3 GLN 15 2HB GLN 15 -0.118 3.746 -12.973 104 HG2 GLN 15 1HG GLN 15 -0.935 5.982 -13.959 105 HG3 GLN 15 2HG GLN 15 -2.030 5.000 -14.929 106 HE21 GLN 15 2HE2 GLN 15 -3.988 4.705 -14.050 107 HE22 GLN 15 1HE2 GLN 15 -4.319 4.679 -12.328 108 H LEU 16 H LEU 16 0.473 1.969 -16.197 109 HA LEU 16 HA LEU 16 2.230 0.332 -14.642 110 HB2 LEU 16 1HB LEU 16 1.262 0.000 -17.490 111 HB3 LEU 16 2HB LEU 16 2.040 -1.255 -16.531 112 HG LEU 16 HG LEU 16 -0.609 0.042 -15.795 113 HD11 LEU 16 1HD1 LEU 16 -1.598 -2.066 -16.635 114 HD12 LEU 16 2HD1 LEU 16 -0.007 -2.563 -17.254 115 HD13 LEU 16 3HD1 LEU 16 -0.827 -1.132 -17.929 116 HD21 LEU 16 3HD2 LEU 16 0.635 -0.969 -13.889 117 HD22 LEU 16 1HD2 LEU 16 0.680 -2.514 -14.767 118 HD23 LEU 16 2HD2 LEU 16 -0.873 -1.825 -14.262 119 H GLU 17 H GLU 17 2.696 2.148 -17.695 120 HA GLU 17 HA GLU 17 5.378 1.272 -18.181 121 HB2 GLU 17 1HB GLU 17 3.875 3.801 -18.908 122 HB3 GLU 17 2HB GLU 17 5.542 3.498 -19.412 123 HG2 GLU 17 1HG GLU 17 4.871 1.493 -20.603 124 HG3 GLU 17 2HG GLU 17 3.215 1.665 -20.050 125 HE2 GLU 17 HE2 GLU 17 4.446 3.534 -23.200 126 H ASN 18 H ASN 18 4.049 3.841 -16.068 127 HA ASN 18 HA ASN 18 6.562 5.061 -15.407 128 HB2 ASN 18 1HB ASN 18 3.808 5.026 -14.286 129 HB3 ASN 18 2HB ASN 18 5.095 5.377 -13.132 130 HD21 ASN 18 2HD2 ASN 18 3.328 6.467 -15.896 131 HD22 ASN 18 1HD2 ASN 18 3.977 8.096 -15.917 132 H TYR 19 H TYR 19 5.286 1.914 -14.470 133 HA TYR 19 HA TYR 19 7.014 1.863 -12.038 134 HB2 TYR 19 1HB TYR 19 5.528 -0.466 -13.278 135 HB3 TYR 19 2HB TYR 19 6.144 -0.335 -11.644 136 HD1 TYR 19 HD2 TYR 19 4.871 2.689 -11.418 137 HD2 TYR 19 HD1 TYR 19 3.394 -1.229 -12.395 138 HE1 TYR 19 HE2 TYR 19 2.581 3.348 -10.697 139 HE2 TYR 19 HE1 TYR 19 1.112 -0.561 -11.695 140 HH TYR 19 HH TYR 19 -0.188 1.090 -10.874 141 H CYS 20 H CYS 20 7.492 1.676 -15.266 142 HA CYS 20 HA CYS 20 9.491 -0.529 -15.093 143 HB2 CYS 20 1HB CYS 20 7.169 -0.782 -16.373 144 HB3 CYS 20 2HB CYS 20 8.039 0.096 -17.654 145 H ASN 21 H ASN 21 10.807 -0.403 -17.325 146 HA ASN 21 HA ASN 21 12.300 2.073 -17.174 147 HB2 ASN 21 1HB ASN 21 12.479 -0.066 -19.347 148 HB3 ASN 21 2HB ASN 21 13.712 1.144 -18.972 149 HD21 ASN 21 2HD2 ASN 21 14.116 1.072 -16.336 150 HD22 ASN 21 1HD2 ASN 21 14.483 -0.539 -15.784 151 HXT ASN 21 H02 ASN 21 10.724 3.971 -19.358 152 H1 PHE 1 2H0 PHE 1 -4.227 -4.531 -25.894 153 H2 PHE 1 1H0 PHE 1 -5.875 -4.642 -25.888 154 HA PHE 1 HA PHE 1 -4.838 -4.800 -23.604 155 HB2 PHE 1 1HB PHE 1 -3.093 -3.082 -24.194 156 HB3 PHE 1 2HB PHE 1 -4.338 -1.842 -24.181 157 HD1 PHE 1 HD2 PHE 1 -5.419 -1.166 -22.048 158 HD2 PHE 1 HD1 PHE 1 -2.204 -4.032 -22.150 159 HE1 PHE 1 HE2 PHE 1 -5.069 -0.880 -19.619 160 HE2 PHE 1 HE1 PHE 1 -1.853 -3.741 -19.730 161 HZ PHE 1 HZ PHE 1 -3.297 -2.161 -18.439 162 H VAL 2 H VAL 2 -6.163 -4.721 -21.968 163 HA VAL 2 HA VAL 2 -8.637 -3.054 -22.292 164 HB VAL 2 HB VAL 2 -8.369 -5.748 -20.857 165 HG11 VAL 2 1HG1 VAL 2 -10.855 -5.602 -20.688 166 HG12 VAL 2 2HG1 VAL 2 -10.068 -4.275 -19.814 167 HG13 VAL 2 3HG1 VAL 2 -10.803 -3.969 -21.401 168 HG21 VAL 2 3HG2 VAL 2 -9.863 -6.575 -22.684 169 HG22 VAL 2 1HG2 VAL 2 -9.668 -5.007 -23.513 170 HG23 VAL 2 2HG2 VAL 2 -8.267 -6.077 -23.274 171 H ASN 3 H ASN 3 -8.740 -1.457 -20.883 172 HA ASN 3 HA ASN 3 -7.004 -1.252 -18.586 173 HB2 ASN 3 1HB ASN 3 -8.317 0.821 -18.095 174 HB3 ASN 3 2HB ASN 3 -7.770 0.773 -19.768 175 HD21 ASN 3 2HD2 ASN 3 -10.352 1.488 -17.884 176 HD22 ASN 3 1HD2 ASN 3 -11.627 1.246 -19.053 177 H GLN 4 H GLN 4 -7.349 -2.022 -16.557 178 HA GLN 4 HA GLN 4 -10.070 -2.666 -15.642 179 HB2 GLN 4 1HB GLN 4 -9.600 -5.063 -15.389 180 HB3 GLN 4 2HB GLN 4 -9.497 -4.589 -17.090 181 HG2 GLN 4 1HG GLN 4 -7.015 -4.454 -16.850 182 HG3 GLN 4 2HG GLN 4 -7.165 -5.032 -15.193 183 HE21 GLN 4 2HE2 GLN 4 -7.622 -5.825 -18.596 184 HE22 GLN 4 1HE2 GLN 4 -7.561 -7.547 -18.401 185 H HIS 5 H HIS 5 -9.881 -3.843 -13.455 186 HA HIS 5 HA HIS 5 -7.916 -2.518 -11.734 187 HB2 HIS 5 1HB HIS 5 -10.015 -4.676 -11.287 188 HB3 HIS 5 2HB HIS 5 -8.995 -4.003 -10.007 189 HD1 HIS 5 HD1 HIS 5 -9.369 -1.496 -9.332 190 HD2 HIS 5 HD2 HIS 5 -12.224 -3.054 -11.983 191 HE1 HIS 5 HE1 HIS 5 -11.334 0.141 -9.377 192 HE2 HIS 5 HE2 HIS 5 -13.059 -0.845 -10.953 193 H LEU 6 H LEU 6 -6.022 -3.485 -10.980 194 HA LEU 6 HA LEU 6 -5.541 -6.318 -11.853 195 HB2 LEU 6 1HB LEU 6 -3.547 -4.040 -11.788 196 HB3 LEU 6 2HB LEU 6 -3.194 -5.681 -12.270 197 HG LEU 6 HG LEU 6 -5.029 -3.868 -13.839 198 HD11 LEU 6 1HD1 LEU 6 -2.803 -2.920 -13.747 199 HD12 LEU 6 2HD1 LEU 6 -3.092 -3.593 -15.345 200 HD13 LEU 6 3HD1 LEU 6 -2.077 -4.474 -14.179 201 HD21 LEU 6 3HD2 LEU 6 -4.602 -5.433 -15.658 202 HD22 LEU 6 1HD2 LEU 6 -5.368 -6.241 -14.284 203 HD23 LEU 6 2HD2 LEU 6 -3.619 -6.437 -14.583 204 H CYS 7 H CYS 7 -5.504 -7.462 -9.993 205 HA CYS 7 HA CYS 7 -4.324 -6.154 -7.590 206 HB2 CYS 7 1HB CYS 7 -6.403 -8.360 -7.724 207 HB3 CYS 7 2HB CYS 7 -5.802 -7.564 -6.262 208 H GLY 8 H GLY 8 -4.980 -9.545 -8.620 209 HA2 GLY 8 1HA GLY 8 -2.568 -10.417 -7.210 210 HA3 GLY 8 2HA GLY 8 -3.757 -11.438 -8.038 211 H SER 9 H SER 9 -2.399 -12.643 -9.334 212 HA SER 9 HA SER 9 -0.127 -11.771 -10.695 213 HB2 SER 9 1HB SER 9 -1.914 -13.885 -11.823 214 HB3 SER 9 2HB SER 9 -0.151 -13.842 -11.749 215 HG SER 9 HG SER 9 -0.240 -14.401 -9.646 216 H HIS 10 H HIS 10 -3.228 -10.689 -11.432 217 HA HIS 10 HA HIS 10 -3.042 -10.358 -14.285 218 HB2 HIS 10 1HB HIS 10 -4.448 -8.895 -12.040 219 HB3 HIS 10 2HB HIS 10 -4.424 -8.246 -13.670 220 HD1 HIS 10 HD1 HIS 10 -6.728 -8.592 -14.616 221 HD2 HIS 10 HD2 HIS 10 -5.162 -12.033 -12.748 222 HE1 HIS 10 HE1 HIS 10 -8.364 -10.490 -15.017 223 HE2 HIS 10 HE2 HIS 10 -7.414 -12.556 -13.902 224 H LEU 11 H LEU 11 -1.589 -8.672 -11.483 225 HA LEU 11 HA LEU 11 -0.750 -6.341 -12.931 226 HB2 LEU 11 1HB LEU 11 -0.499 -7.425 -10.278 227 HB3 LEU 11 2HB LEU 11 1.075 -6.824 -10.813 228 HG LEU 11 HG LEU 11 -1.469 -5.180 -10.982 229 HD11 LEU 11 1HD1 LEU 11 -0.769 -4.117 -8.890 230 HD12 LEU 11 2HD1 LEU 11 0.554 -5.293 -8.745 231 HD13 LEU 11 3HD1 LEU 11 -1.139 -5.837 -8.662 232 HD21 LEU 11 3HD2 LEU 11 0.134 -3.260 -10.973 233 HD22 LEU 11 1HD2 LEU 11 0.339 -4.330 -12.371 234 HD23 LEU 11 2HD2 LEU 11 1.478 -4.429 -11.022 235 H VAL 12 H VAL 12 1.094 -9.282 -11.932 236 HA VAL 12 HA VAL 12 3.475 -8.502 -13.236 237 HB VAL 12 HB VAL 12 3.441 -10.257 -11.510 238 HG11 VAL 12 1HG1 VAL 12 2.132 -12.030 -13.608 239 HG12 VAL 12 2HG1 VAL 12 2.734 -12.550 -12.011 240 HG13 VAL 12 3HG1 VAL 12 1.377 -11.419 -12.115 241 HG21 VAL 12 3HG2 VAL 12 5.356 -10.251 -12.906 242 HG22 VAL 12 1HG2 VAL 12 4.921 -11.934 -12.628 243 HG23 VAL 12 2HG2 VAL 12 4.532 -11.157 -14.188 244 H GLU 13 H GLU 13 0.613 -10.203 -14.506 245 HA GLU 13 HA GLU 13 1.754 -10.769 -17.079 246 HB2 GLU 13 1HB GLU 13 -1.032 -10.500 -15.989 247 HB3 GLU 13 2HB GLU 13 -0.802 -10.514 -17.739 248 HG2 GLU 13 1HG GLU 13 0.475 -12.670 -17.456 249 HG3 GLU 13 2HG GLU 13 -0.087 -12.696 -15.782 250 HE2 GLU 13 HE2 GLU 13 -0.642 -13.616 -18.714 251 H ALA 14 H ALA 14 -0.123 -7.952 -15.837 252 HA ALA 14 HA ALA 14 -0.309 -6.686 -18.394 253 HB1 ALA 14 3HB ALA 14 -1.727 -6.143 -16.438 254 HB2 ALA 14 1HB ALA 14 -0.313 -5.441 -15.620 255 HB3 ALA 14 2HB ALA 14 -0.934 -4.705 -17.111 256 H LEU 15 H LEU 15 2.071 -6.459 -15.730 257 HA LEU 15 HA LEU 15 3.595 -4.401 -17.043 258 HB2 LEU 15 1HB LEU 15 4.375 -6.396 -14.889 259 HB3 LEU 15 2HB LEU 15 5.344 -4.999 -15.359 260 HG LEU 15 HG LEU 15 2.570 -4.897 -14.103 261 HD11 LEU 15 1HD1 LEU 15 4.371 -5.633 -12.555 262 HD12 LEU 15 2HD1 LEU 15 3.704 -4.045 -12.135 263 HD13 LEU 15 3HD1 LEU 15 5.272 -4.152 -12.946 264 HD21 LEU 15 3HD2 LEU 15 4.509 -2.665 -14.806 265 HD22 LEU 15 1HD2 LEU 15 2.955 -2.501 -13.946 266 HD23 LEU 15 2HD2 LEU 15 2.977 -3.026 -15.631 267 H TYR 16 H TYR 16 3.764 -7.962 -17.059 268 HA TYR 16 HA TYR 16 6.193 -8.169 -18.527 269 HB2 TYR 16 1HB TYR 16 5.119 -10.123 -17.557 270 HB3 TYR 16 2HB TYR 16 3.673 -9.849 -18.526 271 HD1 TYR 16 HD2 TYR 16 7.302 -10.758 -18.778 272 HD2 TYR 16 HD1 TYR 16 3.440 -10.761 -20.725 273 HE1 TYR 16 HE2 TYR 16 8.203 -12.187 -20.614 274 HE2 TYR 16 HE1 TYR 16 4.361 -12.216 -22.509 275 HH TYR 16 HH TYR 16 6.223 -13.312 -23.335 276 H LEU 17 H LEU 17 2.817 -7.754 -19.619 277 HA LEU 17 HA LEU 17 3.502 -7.791 -22.418 278 HB2 LEU 17 1HB LEU 17 1.108 -6.738 -20.897 279 HB3 LEU 17 2HB LEU 17 1.210 -6.754 -22.648 280 HG LEU 17 HG LEU 17 1.396 -9.272 -20.972 281 HD11 LEU 17 1HD1 LEU 17 -0.962 -9.632 -21.593 282 HD12 LEU 17 2HD1 LEU 17 -0.998 -8.009 -22.328 283 HD13 LEU 17 3HD1 LEU 17 -0.735 -8.184 -20.574 284 HD21 LEU 17 3HD2 LEU 17 2.338 -9.500 -23.211 285 HD22 LEU 17 1HD2 LEU 17 0.880 -8.783 -23.927 286 HD23 LEU 17 2HD2 LEU 17 0.795 -10.369 -23.126 287 H VAL 18 H VAL 18 3.020 -5.074 -20.092 288 HA VAL 18 HA VAL 18 3.151 -3.171 -22.250 289 HB VAL 18 HB VAL 18 1.992 -2.933 -19.894 290 HG11 VAL 18 1HG1 VAL 18 3.237 -1.688 -18.231 291 HG12 VAL 18 2HG1 VAL 18 4.141 -3.165 -18.565 292 HG13 VAL 18 3HG1 VAL 18 4.678 -1.613 -19.255 293 HG21 VAL 18 3HG2 VAL 18 2.004 -0.488 -20.132 294 HG22 VAL 18 1HG2 VAL 18 3.440 -0.600 -21.182 295 HG23 VAL 18 2HG2 VAL 18 1.892 -1.290 -21.710 296 H CYS 19 H CYS 19 5.554 -4.549 -20.067 297 HA CYS 19 HA CYS 19 7.577 -2.584 -20.863 298 HB2 CYS 19 1HB CYS 19 7.851 -5.152 -19.276 299 HB3 CYS 19 2HB CYS 19 9.092 -3.905 -19.452 300 H GLY 20 H GLY 20 6.841 -6.017 -21.412 301 HA2 GLY 20 1HA GLY 20 7.261 -7.173 -23.433 302 HA3 GLY 20 2HA GLY 20 8.283 -5.829 -23.981 303 H GLU 21 H GLU 21 8.224 -8.001 -21.183 304 HA GLU 21 HA GLU 21 9.772 -9.380 -20.227 305 HB2 GLU 21 1HB GLU 21 9.878 -9.986 -22.806 306 HB3 GLU 21 2HB GLU 21 11.530 -9.386 -22.636 307 HG2 GLU 21 1HG GLU 21 11.871 -11.024 -20.762 308 HG3 GLU 21 2HG GLU 21 10.245 -11.643 -21.046 309 HE2 GLU 21 HE2 GLU 21 10.850 -13.481 -21.560 310 H ARG 22 H ARG 22 10.449 -6.247 -20.820 311 HA ARG 22 HA ARG 22 13.285 -6.114 -20.305 312 HB2 ARG 22 1HB ARG 22 11.117 -4.144 -19.492 313 HB3 ARG 22 2HB ARG 22 12.843 -3.804 -19.518 314 HG2 ARG 22 1HG ARG 22 11.214 -4.507 -21.983 315 HG3 ARG 22 2HG ARG 22 11.560 -2.870 -21.429 316 HD2 ARG 22 1HD ARG 22 13.209 -3.129 -22.986 317 HD3 ARG 22 2HD ARG 22 14.061 -3.620 -21.517 318 HE ARG 22 HE ARG 22 14.188 -5.786 -22.302 319 HH11 ARG 22 1HH1 ARG 22 11.891 -4.060 -24.353 320 HH12 ARG 22 2HH1 ARG 22 11.805 -5.345 -25.488 321 HH21 ARG 22 1HH2 ARG 22 14.033 -7.402 -23.839 322 HH22 ARG 22 2HH2 ARG 22 12.959 -7.218 -25.195 323 H GLY 23 H GLY 23 10.477 -6.495 -18.204 324 HA2 GLY 23 1HA GLY 23 10.688 -7.591 -16.079 325 HA3 GLY 23 2HA GLY 23 12.368 -7.009 -15.958 326 H PHE 24 H PHE 24 10.625 -6.644 -13.828 327 HA PHE 24 HA PHE 24 10.373 -3.748 -13.504 328 HB2 PHE 24 1HB PHE 24 7.853 -3.981 -13.129 329 HB3 PHE 24 2HB PHE 24 8.388 -3.993 -14.819 330 HD1 PHE 24 HD2 PHE 24 7.167 -6.151 -12.050 331 HD2 PHE 24 HD1 PHE 24 8.119 -5.887 -16.232 332 HE1 PHE 24 HE2 PHE 24 6.095 -8.359 -12.429 333 HE2 PHE 24 HE1 PHE 24 7.079 -8.109 -16.622 334 HZ PHE 24 HZ PHE 24 6.063 -9.339 -14.725 335 H PHE 25 H PHE 25 9.059 -3.526 -11.277 336 HA PHE 25 HA PHE 25 10.109 -5.617 -9.471 337 HB2 PHE 25 1HB PHE 25 10.543 -3.169 -9.032 338 HB3 PHE 25 2HB PHE 25 8.794 -2.934 -8.830 339 HD1 PHE 25 HD2 PHE 25 7.597 -4.233 -6.926 340 HD2 PHE 25 HD1 PHE 25 11.897 -3.946 -7.250 341 HE1 PHE 25 HE2 PHE 25 7.825 -4.867 -4.533 342 HE2 PHE 25 HE1 PHE 25 12.113 -4.565 -4.851 343 HZ PHE 25 HZ PHE 25 10.090 -5.041 -3.482 344 H NVA 26 H ARX 26 8.893 -7.089 -8.803 345 HA NVA 26 HA ARX 26 5.980 -6.667 -8.288 346 HB2 NVA 26 1HB ARX 26 5.371 -8.907 -8.799 347 HB3 NVA 26 2HB ARX 26 6.218 -8.269 -10.201 348 HG2 NVA 26 1HG ARX 26 8.273 -9.520 -9.627 349 HG3 NVA 26 2HG ARX 26 7.596 -10.077 -8.098 350 HD2 NVA 26 1HD ARX 26 6.053 -10.758 -10.661 351 HD3 NVA 26 2HD ARX 26 7.572 -11.589 -10.334 352 H THR 27 H THR 27 5.085 -8.012 -6.572 353 HA THR 27 HA THR 27 6.711 -7.860 -4.164 354 HB THR 27 HB THR 27 4.647 -8.991 -3.137 355 HG1 THR 27 HG1 THR 27 4.101 -9.839 -5.367 356 HG21 THR 27 1HG2 THR 27 4.878 -6.539 -3.135 357 HG22 THR 27 2HG2 THR 27 3.186 -7.037 -3.383 358 HG23 THR 27 3HG2 THR 27 4.133 -6.463 -4.762 359 HA PRO 28 HA PRO 28 8.320 -11.841 -4.629 360 HB2 PRO 28 1HB PRO 28 8.503 -12.916 -2.126 361 HB3 PRO 28 2HB PRO 28 9.556 -11.584 -2.692 362 HG2 PRO 28 1HG PRO 28 7.070 -11.461 -1.044 363 HG3 PRO 28 2HG PRO 28 8.649 -10.666 -0.758 364 HD2 PRO 28 1HD PRO 28 6.550 -9.363 -1.884 365 HD3 PRO 28 2HD PRO 28 8.234 -9.053 -2.408 366 H HIX 29 H HIX 29 7.143 -13.192 -5.738 367 HA HIX 29 HA HIX 29 4.597 -14.316 -5.092 368 HB1 HIX 29 1HB HIX 29 6.601 -15.471 -7.105 369 HB2 HIX 29 2HB HIX 29 4.849 -15.640 -7.132 370 HD2 HIX 29 HD2 HIX 29 7.647 -13.311 -8.448 371 HD1 HIX 29 HD1 HIX 29 3.473 -13.068 -7.713 372 H THR 30 H THR 30 6.521 -14.900 -2.992 373 HA THR 30 HA THR 30 6.031 -17.747 -2.404 374 HB THR 30 HB THR 30 8.592 -17.940 -1.805 375 HG1 THR 30 HG1 THR 30 9.056 -16.402 -4.069 376 HG21 THR 30 1HG2 THR 30 7.569 -19.373 -3.604 377 HG22 THR 30 2HG2 THR 30 9.206 -18.864 -4.024 378 HG23 THR 30 3HG2 THR 30 7.818 -18.079 -4.791 379 HXT THR 30 H02 THR 30 8.058 -15.324 -1.515 Start of MODEL 9 1 H1 GLY 1 2H0 GLY 1 0.847 -0.502 -0.171 2 H2 GLY 1 1H0 GLY 1 -0.583 -0.121 -0.870 3 HA2 GLY 1 1HA GLY 1 1.064 1.604 -1.367 4 HA3 GLY 1 2HA GLY 1 2.091 0.345 -2.073 5 H ILE 2 H ILE 2 2.245 0.923 -4.158 6 HA ILE 2 HA ILE 2 0.017 2.026 -5.587 7 HB ILE 2 HB ILE 2 2.567 2.263 -6.086 8 HG12 ILE 2 1HG1 ILE 2 2.050 2.479 -8.581 9 HG13 ILE 2 2HG1 ILE 2 0.412 1.937 -8.186 10 HG21 ILE 2 1HG2 ILE 2 3.014 -0.186 -6.306 11 HG22 ILE 2 2HG2 ILE 2 2.009 -0.222 -7.777 12 HG23 ILE 2 3HG2 ILE 2 3.514 0.740 -7.740 13 HD11 ILE 2 3HD1 ILE 2 0.483 4.370 -8.287 14 HD12 ILE 2 1HD1 ILE 2 0.210 3.866 -6.623 15 HD13 ILE 2 2HD1 ILE 2 1.834 4.423 -7.111 16 H VAL 3 H VAL 3 0.994 -1.215 -4.851 17 HA VAL 3 HA VAL 3 -0.440 -2.584 -6.919 18 HB VAL 3 HB VAL 3 0.276 -3.437 -4.056 19 HG11 VAL 3 1HG1 VAL 3 -0.036 -5.776 -4.854 20 HG12 VAL 3 2HG1 VAL 3 -1.548 -4.837 -4.877 21 HG13 VAL 3 3HG1 VAL 3 -0.669 -5.154 -6.398 22 HG21 VAL 3 3HG2 VAL 3 2.123 -4.682 -5.174 23 HG22 VAL 3 1HG2 VAL 3 1.662 -3.943 -6.724 24 HG23 VAL 3 2HG2 VAL 3 2.266 -2.925 -5.400 25 H GLU 4 H GLU 4 -1.266 -1.498 -3.629 26 HA GLU 4 HA GLU 4 -3.902 -2.516 -3.576 27 HB2 GLU 4 1HB GLU 4 -2.526 -1.606 -1.646 28 HB3 GLU 4 2HB GLU 4 -2.881 0.015 -2.258 29 HG2 GLU 4 1HG GLU 4 -5.297 -0.448 -2.008 30 HG3 GLU 4 2HG GLU 4 -4.903 -2.025 -1.331 31 HE2 GLU 4 HE2 GLU 4 -5.438 0.230 1.373 32 H GLN 5 H GLN 5 -2.510 0.581 -4.754 33 HA GLN 5 HA GLN 5 -5.039 1.750 -5.420 34 HB2 GLN 5 1HB GLN 5 -2.312 2.238 -6.643 35 HB3 GLN 5 2HB GLN 5 -3.735 3.211 -6.959 36 HG2 GLN 5 1HG GLN 5 -3.872 3.740 -4.509 37 HG3 GLN 5 2HG GLN 5 -2.348 2.848 -4.269 38 HE21 GLN 5 2HE2 GLN 5 -1.503 4.856 -3.424 39 HE22 GLN 5 1HE2 GLN 5 -0.971 6.104 -4.527 40 H CYS 6 H CYS 6 -2.758 -0.168 -7.456 41 HA CYS 6 HA CYS 6 -4.353 0.022 -9.825 42 HB2 CYS 6 1HB CYS 6 -1.888 -0.815 -9.343 43 HB3 CYS 6 2HB CYS 6 -2.679 -2.386 -9.196 44 H CYS 7 H CYS 7 -4.580 -2.003 -6.964 45 HA CYS 7 HA CYS 7 -6.408 -3.912 -8.201 46 HB2 CYS 7 1HB CYS 7 -4.846 -4.258 -6.211 47 HB3 CYS 7 2HB CYS 7 -6.035 -3.379 -5.251 48 H THR 8 H THR 8 -6.810 -1.221 -5.776 49 HA THR 8 HA THR 8 -9.688 -1.596 -5.799 50 HB THR 8 HB THR 8 -8.323 -0.786 -3.801 51 HG1 THR 8 HG1 THR 8 -10.600 0.623 -4.738 52 HG21 THR 8 1HG2 THR 8 -8.567 1.972 -5.068 53 HG22 THR 8 2HG2 THR 8 -7.076 1.003 -5.182 54 HG23 THR 8 3HG2 THR 8 -7.699 1.494 -3.593 55 H SER 9 H SER 9 -7.555 0.408 -7.695 56 HA SER 9 HA SER 9 -9.969 1.754 -8.860 57 HB2 SER 9 1HB SER 9 -8.698 3.721 -9.271 58 HB3 SER 9 2HB SER 9 -8.363 3.287 -7.573 59 HG SER 9 HG SER 9 -6.423 2.217 -8.401 60 H ILE 10 H ILE 10 -8.898 2.652 -11.203 61 HA ILE 10 HA ILE 10 -8.056 0.057 -12.423 62 HB ILE 10 HB ILE 10 -9.705 2.378 -13.543 63 HG12 ILE 10 1HG1 ILE 10 -10.297 -0.587 -13.082 64 HG13 ILE 10 2HG1 ILE 10 -10.839 0.730 -12.049 65 HG21 ILE 10 1HG2 ILE 10 -9.826 0.962 -15.623 66 HG22 ILE 10 2HG2 ILE 10 -8.234 1.641 -15.307 67 HG23 ILE 10 3HG2 ILE 10 -8.543 -0.058 -14.943 68 HD11 ILE 10 3HD1 ILE 10 -11.715 0.136 -14.906 69 HD12 ILE 10 1HD1 ILE 10 -12.691 0.078 -13.416 70 HD13 ILE 10 2HD1 ILE 10 -12.120 1.644 -14.025 71 H CYS 11 H CYS 11 -6.099 -0.097 -13.205 72 HA CYS 11 HA CYS 11 -4.334 2.214 -13.388 73 HB2 CYS 11 1HB CYS 11 -4.137 -0.746 -13.768 74 HB3 CYS 11 2HB CYS 11 -2.892 0.274 -14.525 75 H SER 12 H SER 12 -2.945 2.523 -15.328 76 HA SER 12 HA SER 12 -4.415 2.137 -17.903 77 HB2 SER 12 1HB SER 12 -2.869 4.665 -17.496 78 HB3 SER 12 2HB SER 12 -4.348 4.375 -18.445 79 HG SER 12 HG SER 12 -5.463 4.217 -16.403 80 H LEU 13 H LEU 13 -2.933 2.427 -19.774 81 HA LEU 13 HA LEU 13 -0.706 0.766 -19.657 82 HB2 LEU 13 1HB LEU 13 -1.492 3.047 -21.486 83 HB3 LEU 13 2HB LEU 13 0.015 2.160 -21.752 84 HG LEU 13 HG LEU 13 -2.627 0.731 -21.634 85 HD11 LEU 13 1HD1 LEU 13 -2.813 2.486 -23.360 86 HD12 LEU 13 2HD1 LEU 13 -2.663 0.870 -24.094 87 HD13 LEU 13 3HD1 LEU 13 -1.254 1.960 -24.054 88 HD21 LEU 13 3HD2 LEU 13 -0.610 -0.640 -21.438 89 HD22 LEU 13 1HD2 LEU 13 0.110 0.149 -22.859 90 HD23 LEU 13 2HD2 LEU 13 -1.328 -0.890 -23.037 91 H TYR 14 H TYR 14 -0.745 4.307 -19.419 92 HA TYR 14 HA TYR 14 2.083 4.616 -19.437 93 HB2 TYR 14 1HB TYR 14 0.483 6.635 -17.986 94 HB3 TYR 14 2HB TYR 14 1.616 6.829 -19.353 95 HD1 TYR 14 HD1 TYR 14 0.777 6.017 -21.687 96 HD2 TYR 14 HD2 TYR 14 -1.877 6.637 -18.350 97 HE1 TYR 14 HE1 TYR 14 -1.153 6.048 -23.227 98 HE2 TYR 14 HE2 TYR 14 -3.801 6.671 -19.902 99 HH TYR 14 HH TYR 14 -3.395 6.208 -23.443 100 H GLN 15 H GLN 15 -0.299 4.355 -16.792 101 HA GLN 15 HA GLN 15 1.564 4.888 -14.674 102 HB2 GLN 15 1HB GLN 15 -0.941 3.114 -14.583 103 HB3 GLN 15 2HB GLN 15 -0.077 3.825 -13.200 104 HG2 GLN 15 1HG GLN 15 -0.624 6.118 -14.229 105 HG3 GLN 15 2HG GLN 15 -1.726 5.248 -15.311 106 HE21 GLN 15 2HE2 GLN 15 -3.786 5.187 -14.616 107 HE22 GLN 15 1HE2 GLN 15 -4.278 5.195 -12.907 108 H LEU 16 H LEU 16 0.466 1.922 -16.340 109 HA LEU 16 HA LEU 16 1.911 0.142 -14.644 110 HB2 LEU 16 1HB LEU 16 0.940 -0.108 -17.501 111 HB3 LEU 16 2HB LEU 16 1.654 -1.437 -16.605 112 HG LEU 16 HG LEU 16 -0.830 0.041 -15.721 113 HD11 LEU 16 1HD1 LEU 16 -0.518 -2.545 -17.286 114 HD12 LEU 16 2HD1 LEU 16 -1.208 -1.020 -17.885 115 HD13 LEU 16 3HD1 LEU 16 -2.033 -1.926 -16.619 116 HD21 LEU 16 3HD2 LEU 16 -1.209 -1.921 -14.310 117 HD22 LEU 16 1HD2 LEU 16 0.287 -1.100 -13.898 118 HD23 LEU 16 2HD2 LEU 16 0.348 -2.612 -14.823 119 H GLU 17 H GLU 17 2.838 1.589 -17.838 120 HA GLU 17 HA GLU 17 5.328 0.161 -17.787 121 HB2 GLU 17 1HB GLU 17 5.971 1.408 -19.693 122 HB3 GLU 17 2HB GLU 17 4.276 0.975 -19.844 123 HG2 GLU 17 1HG GLU 17 3.934 3.061 -20.446 124 HG3 GLU 17 2HG GLU 17 4.143 3.484 -18.740 125 HE2 GLU 17 HE2 GLU 17 7.155 4.091 -21.240 126 H ASN 18 H ASN 18 4.320 3.195 -16.339 127 HA ASN 18 HA ASN 18 6.970 4.148 -15.690 128 HB2 ASN 18 1HB ASN 18 4.194 4.603 -14.656 129 HB3 ASN 18 2HB ASN 18 5.555 5.052 -13.608 130 HD21 ASN 18 2HD2 ASN 18 3.483 6.324 -15.719 131 HD22 ASN 18 1HD2 ASN 18 4.451 7.599 -16.371 132 H TYR 19 H TYR 19 5.296 1.313 -14.493 133 HA TYR 19 HA TYR 19 6.777 1.353 -11.923 134 HB2 TYR 19 1HB TYR 19 5.148 -0.911 -13.125 135 HB3 TYR 19 2HB TYR 19 5.682 -0.767 -11.437 136 HD1 TYR 19 HD1 TYR 19 4.889 2.431 -11.484 137 HD2 TYR 19 HD2 TYR 19 2.835 -1.266 -12.298 138 HE1 TYR 19 HE1 TYR 19 2.697 3.500 -10.942 139 HE2 TYR 19 HE2 TYR 19 0.670 -0.186 -11.745 140 HH TYR 19 HH TYR 19 0.409 3.228 -10.790 141 H CYS 20 H CYS 20 7.604 0.681 -15.026 142 HA CYS 20 HA CYS 20 9.214 -1.756 -14.430 143 HB2 CYS 20 1HB CYS 20 8.765 -0.215 -17.008 144 HB3 CYS 20 2HB CYS 20 9.655 -1.736 -16.862 145 H ASN 21 H ASN 21 11.411 -1.812 -15.459 146 HA ASN 21 HA ASN 21 13.072 0.253 -14.356 147 HB2 ASN 21 1HB ASN 21 13.882 -2.081 -14.737 148 HB3 ASN 21 2HB ASN 21 13.764 -1.816 -16.480 149 HD21 ASN 21 2HD2 ASN 21 15.462 -1.028 -13.521 150 HD22 ASN 21 1HD2 ASN 21 16.847 -0.279 -14.291 151 HXT ASN 21 H02 ASN 21 13.014 2.658 -16.527 152 H1 PHE 1 2H0 PHE 1 -6.250 -3.723 -26.061 153 H2 PHE 1 1H0 PHE 1 -5.772 -2.178 -26.158 154 HA PHE 1 HA PHE 1 -5.254 -3.915 -23.816 155 HB2 PHE 1 1HB PHE 1 -3.541 -2.158 -24.378 156 HB3 PHE 1 2HB PHE 1 -4.805 -0.953 -24.257 157 HD1 PHE 1 HD2 PHE 1 -5.785 -0.309 -22.064 158 HD2 PHE 1 HD1 PHE 1 -2.596 -3.181 -22.381 159 HE1 PHE 1 HE2 PHE 1 -5.330 -0.059 -19.654 160 HE2 PHE 1 HE1 PHE 1 -2.103 -2.911 -19.963 161 HZ PHE 1 HZ PHE 1 -3.489 -1.327 -18.590 162 H VAL 2 H VAL 2 -6.537 -3.821 -22.096 163 HA VAL 2 HA VAL 2 -8.989 -2.127 -22.346 164 HB VAL 2 HB VAL 2 -9.676 -4.441 -22.775 165 HG11 VAL 2 1HG1 VAL 2 -7.800 -5.663 -21.715 166 HG12 VAL 2 2HG1 VAL 2 -8.377 -5.192 -20.097 167 HG13 VAL 2 3HG1 VAL 2 -9.345 -6.270 -21.120 168 HG21 VAL 2 3HG2 VAL 2 -11.360 -4.748 -21.043 169 HG22 VAL 2 1HG2 VAL 2 -10.465 -3.684 -19.940 170 HG23 VAL 2 2HG2 VAL 2 -11.188 -3.013 -21.423 171 H ASN 3 H ASN 3 -9.344 -0.812 -20.681 172 HA ASN 3 HA ASN 3 -7.377 -0.750 -18.529 173 HB2 ASN 3 1HB ASN 3 -8.602 1.265 -17.800 174 HB3 ASN 3 2HB ASN 3 -8.159 1.350 -19.516 175 HD21 ASN 3 2HD2 ASN 3 -10.567 2.046 -17.430 176 HD22 ASN 3 1HD2 ASN 3 -11.923 1.941 -18.499 177 H GLN 4 H GLN 4 -7.573 -1.823 -16.660 178 HA GLN 4 HA GLN 4 -10.246 -2.458 -15.629 179 HB2 GLN 4 1HB GLN 4 -9.841 -4.863 -15.570 180 HB3 GLN 4 2HB GLN 4 -9.845 -4.271 -17.246 181 HG2 GLN 4 1HG GLN 4 -7.445 -4.471 -17.406 182 HG3 GLN 4 2HG GLN 4 -7.264 -4.658 -15.672 183 HE21 GLN 4 2HE2 GLN 4 -8.426 -6.588 -14.706 184 HE22 GLN 4 1HE2 GLN 4 -8.333 -8.072 -15.644 185 H HIS 5 H HIS 5 -10.094 -3.697 -13.539 186 HA HIS 5 HA HIS 5 -8.031 -2.606 -11.782 187 HB2 HIS 5 1HB HIS 5 -10.065 -4.845 -11.411 188 HB3 HIS 5 2HB HIS 5 -9.030 -4.206 -10.129 189 HD1 HIS 5 HD1 HIS 5 -9.410 -1.599 -9.489 190 HD2 HIS 5 HD2 HIS 5 -12.446 -3.448 -11.715 191 HE1 HIS 5 HE1 HIS 5 -11.498 -0.153 -9.264 192 HE2 HIS 5 HE2 HIS 5 -13.325 -1.294 -10.574 193 H LEU 6 H LEU 6 -6.172 -3.712 -11.011 194 HA LEU 6 HA LEU 6 -5.734 -6.466 -12.156 195 HB2 LEU 6 1HB LEU 6 -3.759 -4.149 -12.051 196 HB3 LEU 6 2HB LEU 6 -3.371 -5.798 -12.494 197 HG LEU 6 HG LEU 6 -5.327 -4.115 -14.062 198 HD11 LEU 6 1HD1 LEU 6 -3.469 -3.720 -15.614 199 HD12 LEU 6 2HD1 LEU 6 -2.362 -4.508 -14.470 200 HD13 LEU 6 3HD1 LEU 6 -3.180 -3.005 -14.027 201 HD21 LEU 6 3HD2 LEU 6 -3.767 -6.631 -14.752 202 HD22 LEU 6 1HD2 LEU 6 -4.840 -5.748 -15.859 203 HD23 LEU 6 2HD2 LEU 6 -5.510 -6.550 -14.423 204 H CYS 7 H CYS 7 -5.137 -7.865 -10.569 205 HA CYS 7 HA CYS 7 -3.714 -6.835 -8.182 206 HB2 CYS 7 1HB CYS 7 -6.446 -7.139 -8.171 207 HB3 CYS 7 2HB CYS 7 -5.939 -8.723 -7.633 208 H GLY 8 H GLY 8 -2.457 -8.469 -7.163 209 HA2 GLY 8 1HA GLY 8 -1.270 -10.449 -7.077 210 HA3 GLY 8 2HA GLY 8 -2.684 -11.241 -7.786 211 H SER 9 H SER 9 -1.693 -12.569 -9.204 212 HA SER 9 HA SER 9 0.506 -12.033 -10.823 213 HB2 SER 9 1HB SER 9 -0.343 -14.282 -10.503 214 HB3 SER 9 2HB SER 9 -1.869 -13.860 -11.300 215 HG SER 9 HG SER 9 0.674 -14.303 -12.424 216 H HIS 10 H HIS 10 -2.831 -10.974 -11.318 217 HA HIS 10 HA HIS 10 -2.673 -10.535 -14.149 218 HB2 HIS 10 1HB HIS 10 -4.393 -9.681 -11.913 219 HB3 HIS 10 2HB HIS 10 -4.256 -8.463 -13.187 220 HD1 HIS 10 HD1 HIS 10 -5.655 -8.827 -15.284 221 HD2 HIS 10 HD2 HIS 10 -5.400 -12.262 -12.882 222 HE1 HIS 10 HE1 HIS 10 -7.286 -10.535 -16.244 223 HE2 HIS 10 HE2 HIS 10 -7.106 -12.605 -14.795 224 H LEU 11 H LEU 11 -1.530 -8.616 -11.364 225 HA LEU 11 HA LEU 11 -1.161 -6.193 -12.872 226 HB2 LEU 11 1HB LEU 11 -1.055 -6.983 -10.221 227 HB3 LEU 11 2HB LEU 11 0.642 -6.645 -10.568 228 HG LEU 11 HG LEU 11 -1.608 -4.681 -11.146 229 HD11 LEU 11 1HD1 LEU 11 -1.650 -5.166 -8.802 230 HD12 LEU 11 2HD1 LEU 11 -0.873 -3.589 -9.017 231 HD13 LEU 11 3HD1 LEU 11 0.125 -5.015 -8.691 232 HD21 LEU 11 3HD2 LEU 11 0.183 -2.970 -11.077 233 HD22 LEU 11 1HD2 LEU 11 0.476 -4.166 -12.349 234 HD23 LEU 11 2HD2 LEU 11 1.395 -4.266 -10.849 235 H VAL 12 H VAL 12 1.118 -8.790 -11.858 236 HA VAL 12 HA VAL 12 3.306 -7.563 -13.272 237 HB VAL 12 HB VAL 12 4.485 -9.747 -12.937 238 HG11 VAL 12 1HG1 VAL 12 4.665 -9.562 -10.531 239 HG12 VAL 12 2HG1 VAL 12 4.528 -7.948 -11.238 240 HG13 VAL 12 3HG1 VAL 12 3.114 -8.686 -10.434 241 HG21 VAL 12 3HG2 VAL 12 1.993 -10.620 -11.458 242 HG22 VAL 12 1HG2 VAL 12 2.507 -11.235 -13.046 243 HG23 VAL 12 2HG2 VAL 12 3.518 -11.517 -11.620 244 H GLU 13 H GLU 13 0.796 -9.839 -14.260 245 HA GLU 13 HA GLU 13 2.023 -10.565 -16.763 246 HB2 GLU 13 1HB GLU 13 -0.700 -10.651 -15.550 247 HB3 GLU 13 2HB GLU 13 -0.684 -10.489 -17.305 248 HG2 GLU 13 1HG GLU 13 0.737 -12.643 -15.749 249 HG3 GLU 13 2HG GLU 13 -0.792 -12.827 -16.604 250 HE2 GLU 13 HE2 GLU 13 -0.543 -11.814 -18.771 251 H ALA 14 H ALA 14 -0.118 -7.865 -15.747 252 HA ALA 14 HA ALA 14 -0.340 -6.753 -18.369 253 HB1 ALA 14 3HB ALA 14 -0.393 -5.286 -15.694 254 HB2 ALA 14 1HB ALA 14 -1.082 -4.733 -17.234 255 HB3 ALA 14 2HB ALA 14 -1.780 -6.145 -16.414 256 H LEU 15 H LEU 15 2.044 -6.296 -15.714 257 HA LEU 15 HA LEU 15 3.509 -4.236 -17.096 258 HB2 LEU 15 1HB LEU 15 4.468 -6.188 -14.995 259 HB3 LEU 15 2HB LEU 15 5.339 -4.784 -15.557 260 HG LEU 15 HG LEU 15 2.739 -4.796 -14.033 261 HD11 LEU 15 1HD1 LEU 15 5.495 -3.791 -13.263 262 HD12 LEU 15 2HD1 LEU 15 4.754 -5.304 -12.676 263 HD13 LEU 15 3HD1 LEU 15 4.035 -3.733 -12.255 264 HD21 LEU 15 3HD2 LEU 15 3.041 -2.311 -14.014 265 HD22 LEU 15 1HD2 LEU 15 2.708 -2.962 -15.601 266 HD23 LEU 15 2HD2 LEU 15 4.362 -2.510 -15.189 267 H TYR 16 H TYR 16 3.779 -7.788 -17.104 268 HA TYR 16 HA TYR 16 6.208 -7.939 -18.616 269 HB2 TYR 16 1HB TYR 16 5.297 -9.861 -17.482 270 HB3 TYR 16 2HB TYR 16 3.786 -9.774 -18.393 271 HD1 TYR 16 HD1 TYR 16 7.414 -10.611 -18.661 272 HD2 TYR 16 HD2 TYR 16 3.580 -10.703 -20.605 273 HE1 TYR 16 HE1 TYR 16 8.321 -12.130 -20.406 274 HE2 TYR 16 HE2 TYR 16 4.503 -12.215 -22.355 275 HH TYR 16 HH TYR 16 7.892 -13.318 -22.281 276 H LEU 17 H LEU 17 2.755 -7.717 -19.577 277 HA LEU 17 HA LEU 17 3.342 -7.862 -22.407 278 HB2 LEU 17 1HB LEU 17 0.965 -6.816 -20.856 279 HB3 LEU 17 2HB LEU 17 1.016 -6.948 -22.607 280 HG LEU 17 HG LEU 17 1.393 -9.323 -20.768 281 HD11 LEU 17 1HD1 LEU 17 -1.120 -8.373 -22.199 282 HD12 LEU 17 2HD1 LEU 17 -0.819 -8.309 -20.434 283 HD13 LEU 17 3HD1 LEU 17 -0.932 -9.885 -21.264 284 HD21 LEU 17 3HD2 LEU 17 2.308 -9.720 -22.960 285 HD22 LEU 17 1HD2 LEU 17 0.848 -9.094 -23.743 286 HD23 LEU 17 2HD2 LEU 17 0.784 -10.609 -22.803 287 H VAL 18 H VAL 18 2.996 -5.106 -20.141 288 HA VAL 18 HA VAL 18 2.984 -3.233 -22.343 289 HB VAL 18 HB VAL 18 1.816 -3.003 -20.023 290 HG11 VAL 18 1HG1 VAL 18 4.030 -3.174 -18.781 291 HG12 VAL 18 2HG1 VAL 18 4.344 -1.515 -19.344 292 HG13 VAL 18 3HG1 VAL 18 2.948 -1.856 -18.309 293 HG21 VAL 18 3HG2 VAL 18 3.242 -0.648 -21.294 294 HG22 VAL 18 1HG2 VAL 18 1.728 -1.371 -21.844 295 HG23 VAL 18 2HG2 VAL 18 1.789 -0.555 -20.256 296 H CYS 19 H CYS 19 5.513 -4.549 -20.253 297 HA CYS 19 HA CYS 19 7.421 -2.529 -21.371 298 HB2 CYS 19 1HB CYS 19 7.553 -4.188 -18.836 299 HB3 CYS 19 2HB CYS 19 8.831 -3.116 -19.415 300 H GLY 20 H GLY 20 6.599 -5.852 -21.539 301 HA2 GLY 20 1HA GLY 20 7.603 -7.579 -22.632 302 HA3 GLY 20 2HA GLY 20 8.574 -6.360 -23.474 303 H GLU 21 H GLU 21 10.538 -7.014 -23.479 304 HA GLU 21 HA GLU 21 11.731 -8.777 -21.598 305 HB2 GLU 21 1HB GLU 21 12.978 -6.917 -23.657 306 HB3 GLU 21 2HB GLU 21 13.818 -8.249 -22.849 307 HG2 GLU 21 1HG GLU 21 12.272 -9.884 -23.895 308 HG3 GLU 21 2HG GLU 21 11.421 -8.545 -24.695 309 HE2 GLU 21 HE2 GLU 21 14.094 -10.094 -26.722 310 H ARG 22 H ARG 22 11.206 -5.397 -21.297 311 HA ARG 22 HA ARG 22 13.683 -4.796 -19.896 312 HB2 ARG 22 1HB ARG 22 10.996 -3.364 -19.990 313 HB3 ARG 22 2HB ARG 22 12.423 -2.748 -19.145 314 HG2 ARG 22 1HG ARG 22 12.277 -3.306 -22.127 315 HG3 ARG 22 2HG ARG 22 12.105 -1.724 -21.379 316 HD2 ARG 22 1HD ARG 22 14.571 -3.487 -21.228 317 HD3 ARG 22 2HD ARG 22 14.400 -2.092 -22.280 318 HE ARG 22 HE ARG 22 14.943 -2.101 -19.392 319 HH11 ARG 22 1HH1 ARG 22 13.839 -0.118 -22.081 320 HH12 ARG 22 2HH1 ARG 22 14.270 1.373 -21.296 321 HH21 ARG 22 1HH2 ARG 22 15.462 -0.153 -18.437 322 HH22 ARG 22 2HH2 ARG 22 15.172 1.345 -19.281 323 H GLY 23 H GLY 23 10.648 -6.241 -18.985 324 HA2 GLY 23 1HA GLY 23 10.004 -7.156 -17.001 325 HA3 GLY 23 2HA GLY 23 11.686 -7.033 -16.458 326 H PHE 24 H PHE 24 10.578 -6.731 -14.393 327 HA PHE 24 HA PHE 24 10.272 -3.871 -13.725 328 HB2 PHE 24 1HB PHE 24 8.111 -4.578 -12.440 329 HB3 PHE 24 2HB PHE 24 7.976 -4.248 -14.174 330 HD1 PHE 24 HD1 PHE 24 8.098 -6.960 -11.634 331 HD2 PHE 24 HD2 PHE 24 7.359 -5.954 -15.738 332 HE1 PHE 24 HE1 PHE 24 7.146 -9.229 -12.021 333 HE2 PHE 24 HE2 PHE 24 6.373 -8.191 -16.118 334 HZ PHE 24 HZ PHE 24 6.296 -9.857 -14.274 335 H PHE 25 H PHE 25 10.082 -3.897 -11.178 336 HA PHE 25 HA PHE 25 12.208 -5.696 -10.328 337 HB2 PHE 25 1HB PHE 25 11.821 -3.204 -9.714 338 HB3 PHE 25 2HB PHE 25 10.739 -3.830 -8.479 339 HD1 PHE 25 HD1 PHE 25 11.773 -5.720 -6.900 340 HD2 PHE 25 HD2 PHE 25 14.124 -3.020 -9.298 341 HE1 PHE 25 HE1 PHE 25 13.770 -6.173 -5.475 342 HE2 PHE 25 HE2 PHE 25 16.115 -3.463 -7.872 343 HZ PHE 25 HZ PHE 25 15.935 -5.057 -5.971 344 H NVA 26 H ARX 26 11.413 -7.729 -10.358 345 HA NVA 26 HA ARX 26 9.389 -8.549 -8.316 346 HB2 NVA 26 1HB ARX 26 8.959 -10.526 -9.607 347 HB3 NVA 26 2HB ARX 26 8.762 -9.097 -10.624 348 HG2 NVA 26 1HG ARX 26 10.885 -9.535 -11.800 349 HG3 NVA 26 2HG ARX 26 11.419 -10.698 -10.607 350 HD2 NVA 26 1HD ARX 26 8.893 -11.643 -11.754 351 HD3 NVA 26 2HD ARX 26 9.952 -11.119 -12.990 352 H THR 27 H THR 27 12.502 -8.240 -8.334 353 HA THR 27 HA THR 27 14.316 -8.966 -7.179 354 HB THR 27 HB THR 27 14.222 -10.408 -5.361 355 HG1 THR 27 HG1 THR 27 11.903 -11.522 -6.550 356 HG21 THR 27 1HG2 THR 27 12.771 -8.380 -5.079 357 HG22 THR 27 2HG2 THR 27 12.375 -9.737 -4.016 358 HG23 THR 27 3HG2 THR 27 11.366 -9.418 -5.433 359 HA PRO 28 HA PRO 28 15.796 -11.620 -10.079 360 HB2 PRO 28 1HB PRO 28 17.813 -13.179 -9.140 361 HB3 PRO 28 2HB PRO 28 17.927 -11.389 -9.222 362 HG2 PRO 28 1HG PRO 28 17.199 -13.114 -6.883 363 HG3 PRO 28 2HG PRO 28 18.424 -11.810 -6.980 364 HD2 PRO 28 1HD PRO 28 15.949 -11.383 -6.000 365 HD3 PRO 28 2HD PRO 28 16.793 -10.135 -6.973 366 H HIX 29 H HIX 29 14.735 -13.093 -11.148 367 HA HIX 29 HA HIX 29 13.669 -15.610 -10.139 368 HB1 HIX 29 1HB HIX 29 13.978 -14.538 -13.020 369 HB2 HIX 29 2HB HIX 29 13.153 -16.018 -12.581 370 HD2 HIX 29 HD2 HIX 29 12.594 -12.209 -12.675 371 HD1 HIX 29 HD1 HIX 29 10.752 -15.640 -11.119 372 H THR 30 H THR 30 15.945 -16.004 -9.181 373 HA THR 30 HA THR 30 17.326 -18.132 -10.683 374 HB THR 30 HB THR 30 19.437 -16.379 -9.801 375 HG1 THR 30 HG1 THR 30 17.480 -15.206 -11.522 376 HG21 THR 30 1HG2 THR 30 18.477 -17.012 -12.668 377 HG22 THR 30 2HG2 THR 30 19.593 -18.031 -11.725 378 HG23 THR 30 3HG2 THR 30 20.083 -16.406 -12.220 379 HXT THR 30 H02 THR 30 17.792 -17.484 -6.891 Start of MODEL 10 1 H1 GLY 1 2H0 GLY 1 1.106 -1.197 0.230 2 H2 GLY 1 1H0 GLY 1 -0.218 -0.522 -0.415 3 HA2 GLY 1 1HA GLY 1 1.775 0.443 -1.463 4 HA3 GLY 1 2HA GLY 1 2.233 -1.190 -1.944 5 H ILE 2 H ILE 2 2.497 -0.524 -4.019 6 HA ILE 2 HA ILE 2 0.459 0.825 -5.443 7 HB ILE 2 HB ILE 2 2.974 0.544 -6.038 8 HG12 ILE 2 1HG1 ILE 2 2.498 0.610 -8.555 9 HG13 ILE 2 2HG1 ILE 2 0.818 0.331 -8.173 10 HG21 ILE 2 1HG2 ILE 2 2.013 -1.969 -7.471 11 HG22 ILE 2 2HG2 ILE 2 3.658 -1.253 -7.504 12 HG23 ILE 2 3HG2 ILE 2 2.980 -1.952 -6.012 13 HD11 ILE 2 3HD1 ILE 2 2.488 2.698 -7.200 14 HD12 ILE 2 1HD1 ILE 2 1.277 2.756 -8.492 15 HD13 ILE 2 2HD1 ILE 2 0.767 2.447 -6.834 16 H VAL 3 H VAL 3 0.898 -2.637 -4.772 17 HA VAL 3 HA VAL 3 -0.777 -3.705 -6.797 18 HB VAL 3 HB VAL 3 -0.301 -4.711 -3.934 19 HG11 VAL 3 1HG1 VAL 3 -1.519 -6.148 -6.363 20 HG12 VAL 3 2HG1 VAL 3 -0.970 -6.976 -4.854 21 HG13 VAL 3 3HG1 VAL 3 -2.294 -5.823 -4.784 22 HG21 VAL 3 3HG2 VAL 3 1.824 -4.547 -5.156 23 HG22 VAL 3 1HG2 VAL 3 1.362 -6.248 -4.960 24 HG23 VAL 3 2HG2 VAL 3 1.122 -5.458 -6.538 25 H GLU 4 H GLU 4 -1.480 -2.432 -3.523 26 HA GLU 4 HA GLU 4 -4.259 -3.058 -3.566 27 HB2 GLU 4 1HB GLU 4 -2.455 -1.886 -1.815 28 HB3 GLU 4 2HB GLU 4 -3.578 -0.580 -2.187 29 HG2 GLU 4 1HG GLU 4 -5.469 -2.191 -1.645 30 HG3 GLU 4 2HG GLU 4 -4.231 -3.263 -1.013 31 HE2 GLU 4 HE2 GLU 4 -4.150 -3.123 0.936 32 H GLN 5 H GLN 5 -2.484 -0.154 -4.631 33 HA GLN 5 HA GLN 5 -4.861 1.328 -5.193 34 HB2 GLN 5 1HB GLN 5 -1.934 1.610 -5.990 35 HB3 GLN 5 2HB GLN 5 -3.152 2.618 -6.756 36 HG2 GLN 5 1HG GLN 5 -3.280 3.956 -4.888 37 HG3 GLN 5 2HG GLN 5 -3.520 2.570 -3.812 38 HE21 GLN 5 2HE2 GLN 5 -2.192 3.036 -2.165 39 HE22 GLN 5 1HE2 GLN 5 -0.474 3.270 -2.329 40 H CYS 6 H CYS 6 -2.760 -0.682 -7.311 41 HA CYS 6 HA CYS 6 -4.366 -0.126 -9.626 42 HB2 CYS 6 1HB CYS 6 -2.018 -1.645 -9.063 43 HB3 CYS 6 2HB CYS 6 -3.170 -2.701 -9.858 44 H CYS 7 H CYS 7 -4.692 -2.418 -6.971 45 HA CYS 7 HA CYS 7 -6.611 -4.071 -8.317 46 HB2 CYS 7 1HB CYS 7 -5.201 -4.599 -6.226 47 HB3 CYS 7 2HB CYS 7 -6.357 -3.615 -5.315 48 H THR 8 H THR 8 -6.905 -1.269 -6.080 49 HA THR 8 HA THR 8 -9.826 -1.470 -6.252 50 HB THR 8 HB THR 8 -8.571 -0.931 -4.094 51 HG1 THR 8 HG1 THR 8 -10.630 0.786 -5.050 52 HG21 THR 8 1HG2 THR 8 -7.910 1.358 -3.638 53 HG22 THR 8 2HG2 THR 8 -8.344 1.858 -5.283 54 HG23 THR 8 3HG2 THR 8 -6.955 0.741 -4.975 55 H SER 9 H SER 9 -7.361 0.453 -7.855 56 HA SER 9 HA SER 9 -9.577 2.154 -8.974 57 HB2 SER 9 1HB SER 9 -7.751 3.323 -7.653 58 HB3 SER 9 2HB SER 9 -6.622 2.815 -8.915 59 HG SER 9 HG SER 9 -7.472 4.886 -9.371 60 H ILE 10 H ILE 10 -9.033 2.829 -11.293 61 HA ILE 10 HA ILE 10 -8.391 0.342 -12.799 62 HB ILE 10 HB ILE 10 -9.474 3.075 -13.621 63 HG12 ILE 10 1HG1 ILE 10 -11.046 1.501 -12.405 64 HG13 ILE 10 2HG1 ILE 10 -11.569 2.043 -13.966 65 HG21 ILE 10 1HG2 ILE 10 -9.834 2.035 -15.933 66 HG22 ILE 10 2HG2 ILE 10 -8.163 2.362 -15.499 67 HG23 ILE 10 3HG2 ILE 10 -8.768 0.699 -15.413 68 HD11 ILE 10 3HD1 ILE 10 -11.019 -0.082 -15.028 69 HD12 ILE 10 1HD1 ILE 10 -10.318 -0.660 -13.497 70 HD13 ILE 10 2HD1 ILE 10 -12.057 -0.319 -13.604 71 H CYS 11 H CYS 11 -6.442 -0.046 -13.636 72 HA CYS 11 HA CYS 11 -4.361 2.008 -13.337 73 HB2 CYS 11 1HB CYS 11 -4.080 -0.677 -14.712 74 HB3 CYS 11 2HB CYS 11 -2.859 0.280 -13.885 75 H SER 12 H SER 12 -3.015 2.601 -15.231 76 HA SER 12 HA SER 12 -4.414 2.275 -17.862 77 HB2 SER 12 1HB SER 12 -2.905 4.712 -17.749 78 HB3 SER 12 2HB SER 12 -4.641 4.472 -18.101 79 HG SER 12 HG SER 12 -5.107 4.861 -16.027 80 H LEU 13 H LEU 13 -2.917 2.567 -19.680 81 HA LEU 13 HA LEU 13 -0.621 0.890 -19.442 82 HB2 LEU 13 1HB LEU 13 -1.264 3.071 -21.433 83 HB3 LEU 13 2HB LEU 13 0.043 1.960 -21.612 84 HG LEU 13 HG LEU 13 -2.847 1.072 -21.589 85 HD11 LEU 13 1HD1 LEU 13 -0.950 1.544 -23.923 86 HD12 LEU 13 2HD1 LEU 13 -2.292 2.588 -23.471 87 HD13 LEU 13 3HD1 LEU 13 -2.609 0.943 -24.000 88 HD21 LEU 13 3HD2 LEU 13 -1.297 -0.723 -20.956 89 HD22 LEU 13 1HD2 LEU 13 -0.220 -0.271 -22.312 90 HD23 LEU 13 2HD2 LEU 13 -1.840 -0.915 -22.651 91 H TYR 14 H TYR 14 -0.918 4.460 -19.251 92 HA TYR 14 HA TYR 14 1.834 5.002 -19.311 93 HB2 TYR 14 1HB TYR 14 0.095 6.731 -17.665 94 HB3 TYR 14 2HB TYR 14 1.214 7.151 -18.968 95 HD1 TYR 14 HD2 TYR 14 0.345 6.052 -21.385 96 HD2 TYR 14 HD1 TYR 14 -2.149 7.199 -18.076 97 HE1 TYR 14 HE2 TYR 14 -1.627 6.216 -22.907 98 HE2 TYR 14 HE1 TYR 14 -4.102 7.381 -19.585 99 HH TYR 14 HH TYR 14 -4.818 7.335 -21.780 100 H GLN 15 H GLN 15 -0.394 4.292 -16.618 101 HA GLN 15 HA GLN 15 1.510 4.923 -14.550 102 HB2 GLN 15 1HB GLN 15 -0.908 3.030 -14.418 103 HB3 GLN 15 2HB GLN 15 -0.057 3.721 -13.077 104 HG2 GLN 15 1HG GLN 15 -0.733 6.051 -14.042 105 HG3 GLN 15 2HG GLN 15 -1.909 5.118 -15.013 106 HE21 GLN 15 2HE2 GLN 15 -3.831 5.033 -14.135 107 HE22 GLN 15 1HE2 GLN 15 -4.202 5.003 -12.422 108 H LEU 16 H LEU 16 0.495 1.963 -16.267 109 HA LEU 16 HA LEU 16 2.184 0.224 -14.774 110 HB2 LEU 16 1HB LEU 16 1.158 -0.018 -17.646 111 HB3 LEU 16 2HB LEU 16 1.959 -1.296 -16.765 112 HG LEU 16 HG LEU 16 -0.615 -0.012 -15.871 113 HD11 LEU 16 1HD1 LEU 16 -0.898 -1.163 -18.027 114 HD12 LEU 16 2HD1 LEU 16 -1.694 -2.065 -16.714 115 HD13 LEU 16 3HD1 LEU 16 -0.143 -2.621 -17.348 116 HD21 LEU 16 3HD2 LEU 16 0.584 -1.092 -14.001 117 HD22 LEU 16 1HD2 LEU 16 0.730 -2.588 -14.924 118 HD23 LEU 16 2HD2 LEU 16 -0.876 -2.013 -14.441 119 H GLU 17 H GLU 17 2.775 2.100 -17.741 120 HA GLU 17 HA GLU 17 5.432 1.180 -18.243 121 HB2 GLU 17 1HB GLU 17 3.917 3.697 -18.885 122 HB3 GLU 17 2HB GLU 17 5.604 3.545 -19.368 123 HG2 GLU 17 1HG GLU 17 3.763 1.261 -20.064 124 HG3 GLU 17 2HG GLU 17 3.535 2.805 -20.939 125 HE2 GLU 17 HE2 GLU 17 6.946 0.849 -21.430 126 H ASN 18 H ASN 18 4.200 3.673 -16.013 127 HA ASN 18 HA ASN 18 6.786 4.732 -15.379 128 HB2 ASN 18 1HB ASN 18 4.105 4.787 -13.973 129 HB3 ASN 18 2HB ASN 18 5.568 5.519 -13.274 130 HD21 ASN 18 2HD2 ASN 18 3.174 6.829 -13.932 131 HD22 ASN 18 1HD2 ASN 18 3.519 7.988 -15.182 132 H TYR 19 H TYR 19 5.441 1.628 -14.577 133 HA TYR 19 HA TYR 19 7.054 1.534 -12.071 134 HB2 TYR 19 1HB TYR 19 5.405 -0.645 -13.415 135 HB3 TYR 19 2HB TYR 19 6.039 -0.678 -11.758 136 HD1 TYR 19 HD1 TYR 19 5.054 2.414 -11.337 137 HD2 TYR 19 HD2 TYR 19 3.187 -1.255 -12.532 138 HE1 TYR 19 HE1 TYR 19 2.834 3.319 -10.653 139 HE2 TYR 19 HE2 TYR 19 0.973 -0.354 -11.808 140 HH TYR 19 HH TYR 19 0.556 2.836 -10.424 141 H CYS 20 H CYS 20 7.612 1.447 -15.245 142 HA CYS 20 HA CYS 20 9.725 -0.679 -15.129 143 HB2 CYS 20 1HB CYS 20 8.175 0.355 -17.518 144 HB3 CYS 20 2HB CYS 20 9.402 -0.895 -17.563 145 H ASN 21 H ASN 21 11.015 0.216 -17.487 146 HA ASN 21 HA ASN 21 12.099 2.833 -16.736 147 HB2 ASN 21 1HB ASN 21 13.573 1.106 -17.808 148 HB3 ASN 21 2HB ASN 21 12.523 1.138 -19.225 149 HD21 ASN 21 2HD2 ASN 21 12.893 2.627 -20.810 150 HD22 ASN 21 1HD2 ASN 21 14.069 3.903 -20.652 151 HXT ASN 21 H02 ASN 21 9.670 4.578 -18.199 152 H1 PHE 1 2H0 PHE 1 -6.025 -4.105 -26.090 153 H2 PHE 1 1H0 PHE 1 -5.260 -2.646 -26.163 154 HA PHE 1 HA PHE 1 -5.219 -4.466 -23.844 155 HB2 PHE 1 1HB PHE 1 -3.154 -3.187 -24.247 156 HB3 PHE 1 2HB PHE 1 -4.053 -1.698 -24.298 157 HD1 PHE 1 HD1 PHE 1 -5.234 -0.915 -22.123 158 HD2 PHE 1 HD2 PHE 1 -2.440 -4.188 -22.216 159 HE1 PHE 1 HE1 PHE 1 -4.901 -0.721 -19.698 160 HE2 PHE 1 HE2 PHE 1 -2.096 -3.920 -19.772 161 HZ PHE 1 HZ PHE 1 -3.364 -2.225 -18.539 162 H VAL 2 H VAL 2 -6.496 -4.018 -22.153 163 HA VAL 2 HA VAL 2 -8.526 -1.876 -22.554 164 HB VAL 2 HB VAL 2 -9.641 -4.029 -23.030 165 HG11 VAL 2 1HG1 VAL 2 -8.102 -5.521 -21.892 166 HG12 VAL 2 2HG1 VAL 2 -8.657 -4.949 -20.325 167 HG13 VAL 2 3HG1 VAL 2 -9.783 -5.841 -21.369 168 HG21 VAL 2 3HG2 VAL 2 -10.347 -3.082 -20.211 169 HG22 VAL 2 1HG2 VAL 2 -10.869 -2.278 -21.724 170 HG23 VAL 2 2HG2 VAL 2 -11.433 -3.921 -21.373 171 H ASN 3 H ASN 3 -8.680 -0.488 -20.968 172 HA ASN 3 HA ASN 3 -6.866 -0.711 -18.722 173 HB2 ASN 3 1HB ASN 3 -7.901 1.460 -18.006 174 HB3 ASN 3 2HB ASN 3 -7.228 1.481 -19.636 175 HD21 ASN 3 2HD2 ASN 3 -9.777 2.411 -17.791 176 HD22 ASN 3 1HD2 ASN 3 -11.001 2.590 -19.048 177 H GLN 4 H GLN 4 -7.299 -1.574 -16.810 178 HA GLN 4 HA GLN 4 -10.030 -1.931 -15.850 179 HB2 GLN 4 1HB GLN 4 -9.833 -4.376 -15.737 180 HB3 GLN 4 2HB GLN 4 -9.745 -3.844 -17.407 181 HG2 GLN 4 1HG GLN 4 -7.363 -4.174 -17.482 182 HG3 GLN 4 2HG GLN 4 -7.304 -4.475 -15.748 183 HE21 GLN 4 2HE2 GLN 4 -8.470 -6.358 -14.912 184 HE22 GLN 4 1HE2 GLN 4 -8.499 -7.797 -15.914 185 H HIS 5 H HIS 5 -9.846 -3.467 -13.799 186 HA HIS 5 HA HIS 5 -7.742 -2.310 -12.073 187 HB2 HIS 5 1HB HIS 5 -9.934 -4.390 -11.664 188 HB3 HIS 5 2HB HIS 5 -8.873 -3.841 -10.358 189 HD1 HIS 5 HD1 HIS 5 -9.093 -1.282 -9.652 190 HD2 HIS 5 HD2 HIS 5 -12.167 -2.765 -12.064 191 HE1 HIS 5 HE1 HIS 5 -11.035 0.367 -9.486 192 HE2 HIS 5 HE2 HIS 5 -12.882 -0.581 -10.897 193 H LEU 6 H LEU 6 -5.907 -3.539 -11.316 194 HA LEU 6 HA LEU 6 -5.702 -6.350 -12.374 195 HB2 LEU 6 1HB LEU 6 -3.622 -4.141 -12.302 196 HB3 LEU 6 2HB LEU 6 -3.211 -5.848 -12.412 197 HG LEU 6 HG LEU 6 -2.866 -5.018 -14.499 198 HD11 LEU 6 1HD1 LEU 6 -4.526 -6.079 -15.994 199 HD12 LEU 6 2HD1 LEU 6 -5.606 -6.273 -14.593 200 HD13 LEU 6 3HD1 LEU 6 -4.026 -7.090 -14.644 201 HD21 LEU 6 3HD2 LEU 6 -3.968 -2.882 -14.363 202 HD22 LEU 6 1HD2 LEU 6 -5.566 -3.698 -14.462 203 HD23 LEU 6 2HD2 LEU 6 -4.431 -3.705 -15.837 204 H CYS 7 H CYS 7 -5.168 -7.741 -10.749 205 HA CYS 7 HA CYS 7 -4.143 -6.635 -8.181 206 HB2 CYS 7 1HB CYS 7 -6.789 -6.986 -8.492 207 HB3 CYS 7 2HB CYS 7 -6.332 -8.690 -8.137 208 H GLY 8 H GLY 8 -2.910 -8.076 -6.908 209 HA2 GLY 8 1HA GLY 8 -1.518 -9.921 -6.611 210 HA3 GLY 8 2HA GLY 8 -2.849 -10.834 -7.301 211 H SER 9 H SER 9 -1.914 -12.227 -8.678 212 HA SER 9 HA SER 9 0.428 -11.793 -10.192 213 HB2 SER 9 1HB SER 9 -1.805 -13.643 -11.051 214 HB3 SER 9 2HB SER 9 -0.031 -13.881 -11.160 215 HG SER 9 HG SER 9 -0.886 -15.013 -9.376 216 H HIS 10 H HIS 10 -2.791 -10.590 -10.885 217 HA HIS 10 HA HIS 10 -2.444 -10.552 -13.803 218 HB2 HIS 10 1HB HIS 10 -4.495 -9.973 -11.891 219 HB3 HIS 10 2HB HIS 10 -4.228 -8.490 -12.872 220 HD1 HIS 10 HD1 HIS 10 -5.118 -8.494 -15.281 221 HD2 HIS 10 HD2 HIS 10 -5.204 -12.292 -13.492 222 HE1 HIS 10 HE1 HIS 10 -6.429 -10.038 -16.853 223 HE2 HIS 10 HE2 HIS 10 -6.445 -12.324 -15.732 224 H LEU 11 H LEU 11 -1.361 -8.476 -11.150 225 HA LEU 11 HA LEU 11 -0.937 -6.112 -12.754 226 HB2 LEU 11 1HB LEU 11 -0.256 -7.123 -10.076 227 HB3 LEU 11 2HB LEU 11 1.044 -6.183 -10.806 228 HG LEU 11 HG LEU 11 -1.479 -4.780 -11.166 229 HD11 LEU 11 1HD1 LEU 11 -0.669 -5.497 -8.305 230 HD12 LEU 11 2HD1 LEU 11 -2.108 -6.079 -9.128 231 HD13 LEU 11 3HD1 LEU 11 -1.926 -4.350 -8.802 232 HD21 LEU 11 3HD2 LEU 11 1.093 -4.165 -9.587 233 HD22 LEU 11 1HD2 LEU 11 -0.162 -2.989 -10.057 234 HD23 LEU 11 2HD2 LEU 11 0.791 -3.788 -11.319 235 H VAL 12 H VAL 12 1.313 -8.726 -11.703 236 HA VAL 12 HA VAL 12 3.468 -7.659 -13.200 237 HB VAL 12 HB VAL 12 4.578 -9.838 -12.837 238 HG11 VAL 12 1HG1 VAL 12 3.206 -8.694 -10.356 239 HG12 VAL 12 2HG1 VAL 12 4.742 -9.588 -10.425 240 HG13 VAL 12 3HG1 VAL 12 4.666 -7.990 -11.178 241 HG21 VAL 12 3HG2 VAL 12 2.574 -11.330 -12.931 242 HG22 VAL 12 1HG2 VAL 12 3.527 -11.532 -11.445 243 HG23 VAL 12 2HG2 VAL 12 2.015 -10.647 -11.397 244 H GLU 13 H GLU 13 0.836 -9.854 -14.046 245 HA GLU 13 HA GLU 13 1.940 -10.675 -16.588 246 HB2 GLU 13 1HB GLU 13 -0.728 -10.679 -15.221 247 HB3 GLU 13 2HB GLU 13 -0.813 -10.522 -16.952 248 HG2 GLU 13 1HG GLU 13 0.850 -12.698 -15.672 249 HG3 GLU 13 2HG GLU 13 -0.849 -12.893 -15.992 250 HE2 GLU 13 HE2 GLU 13 1.518 -14.061 -16.995 251 H ALA 14 H ALA 14 -0.172 -7.875 -15.687 252 HA ALA 14 HA ALA 14 -0.368 -6.887 -18.367 253 HB1 ALA 14 3HB ALA 14 -1.798 -6.271 -16.305 254 HB2 ALA 14 1HB ALA 14 -0.423 -5.218 -15.802 255 HB3 ALA 14 2HB ALA 14 -1.305 -4.913 -17.349 256 H LEU 15 H LEU 15 2.004 -6.424 -15.777 257 HA LEU 15 HA LEU 15 3.444 -4.389 -17.162 258 HB2 LEU 15 1HB LEU 15 4.281 -6.225 -14.943 259 HB3 LEU 15 2HB LEU 15 5.260 -4.879 -15.537 260 HG LEU 15 HG LEU 15 2.511 -4.595 -14.301 261 HD11 LEU 15 1HD1 LEU 15 4.157 -5.348 -12.645 262 HD12 LEU 15 2HD1 LEU 15 3.630 -3.670 -12.345 263 HD13 LEU 15 3HD1 LEU 15 5.226 -4.009 -13.102 264 HD21 LEU 15 3HD2 LEU 15 4.600 -2.601 -15.132 265 HD22 LEU 15 1HD2 LEU 15 3.095 -2.207 -14.267 266 HD23 LEU 15 2HD2 LEU 15 3.034 -2.858 -15.883 267 H TYR 16 H TYR 16 3.789 -7.902 -17.086 268 HA TYR 16 HA TYR 16 6.244 -7.959 -18.624 269 HB2 TYR 16 1HB TYR 16 5.362 -9.923 -17.435 270 HB3 TYR 16 2HB TYR 16 3.918 -9.928 -18.434 271 HD1 TYR 16 HD1 TYR 16 7.602 -10.497 -18.462 272 HD2 TYR 16 HD2 TYR 16 3.897 -10.906 -20.640 273 HE1 TYR 16 HE1 TYR 16 8.733 -11.948 -20.110 274 HE2 TYR 16 HE2 TYR 16 5.035 -12.391 -22.289 275 HH TYR 16 HH TYR 16 8.470 -13.334 -21.949 276 H LEU 17 H LEU 17 2.764 -7.921 -19.533 277 HA LEU 17 HA LEU 17 3.270 -8.156 -22.342 278 HB2 LEU 17 1HB LEU 17 0.880 -7.122 -20.778 279 HB3 LEU 17 2HB LEU 17 0.892 -7.320 -22.536 280 HG LEU 17 HG LEU 17 1.466 -9.621 -20.654 281 HD11 LEU 17 1HD1 LEU 17 -1.208 -8.798 -21.890 282 HD12 LEU 17 2HD1 LEU 17 -0.759 -8.710 -20.137 283 HD13 LEU 17 3HD1 LEU 17 -0.893 -10.306 -20.962 284 HD21 LEU 17 3HD2 LEU 17 0.840 -11.036 -22.579 285 HD22 LEU 17 1HD2 LEU 17 2.204 -9.979 -22.988 286 HD23 LEU 17 2HD2 LEU 17 0.558 -9.607 -23.573 287 H VAL 18 H VAL 18 2.951 -5.299 -20.200 288 HA VAL 18 HA VAL 18 2.874 -3.540 -22.540 289 HB VAL 18 HB VAL 18 1.611 -3.246 -20.248 290 HG11 VAL 18 1HG1 VAL 18 2.688 -2.163 -18.516 291 HG12 VAL 18 2HG1 VAL 18 3.802 -3.445 -18.963 292 HG13 VAL 18 3HG1 VAL 18 4.124 -1.759 -19.476 293 HG21 VAL 18 3HG2 VAL 18 1.639 -0.770 -20.433 294 HG22 VAL 18 1HG2 VAL 18 3.120 -0.860 -21.415 295 HG23 VAL 18 2HG2 VAL 18 1.566 -1.568 -22.030 296 H CYS 19 H CYS 19 5.409 -4.676 -20.322 297 HA CYS 19 HA CYS 19 7.234 -2.597 -21.496 298 HB2 CYS 19 1HB CYS 19 7.452 -4.068 -18.839 299 HB3 CYS 19 2HB CYS 19 8.571 -2.867 -19.451 300 H GLY 20 H GLY 20 7.000 -6.075 -20.754 301 HA2 GLY 20 1HA GLY 20 8.288 -7.821 -21.518 302 HA3 GLY 20 2HA GLY 20 8.877 -6.709 -22.797 303 H GLU 21 H GLU 21 10.960 -6.696 -22.917 304 HA GLU 21 HA GLU 21 12.702 -7.797 -20.991 305 HB2 GLU 21 1HB GLU 21 13.234 -5.763 -23.187 306 HB3 GLU 21 2HB GLU 21 14.479 -6.663 -22.328 307 HG2 GLU 21 1HG GLU 21 13.570 -8.804 -23.201 308 HG3 GLU 21 2HG GLU 21 12.307 -7.902 -24.066 309 HE2 GLU 21 HE2 GLU 21 16.001 -7.490 -25.366 310 H ARG 22 H ARG 22 11.565 -4.459 -21.132 311 HA ARG 22 HA ARG 22 13.728 -3.719 -19.113 312 HB2 ARG 22 1HB ARG 22 12.161 -1.915 -21.030 313 HB3 ARG 22 2HB ARG 22 13.257 -1.354 -19.779 314 HG2 ARG 22 1HG ARG 22 14.121 -3.073 -22.111 315 HG3 ARG 22 2HG ARG 22 14.268 -1.336 -22.034 316 HD2 ARG 22 1HD ARG 22 15.624 -3.282 -20.105 317 HD3 ARG 22 2HD ARG 22 16.426 -2.489 -21.465 318 HE ARG 22 HE ARG 22 15.718 -1.323 -18.874 319 HH11 ARG 22 1HH1 ARG 22 16.636 -0.601 -22.187 320 HH12 ARG 22 2HH1 ARG 22 17.226 1.001 -21.783 321 HH21 ARG 22 1HH2 ARG 22 16.480 0.696 -18.412 322 HH22 ARG 22 2HH2 ARG 22 17.147 1.711 -19.665 323 H GLY 23 H GLY 23 11.256 -5.204 -18.607 324 HA2 GLY 23 1HA GLY 23 9.341 -3.365 -17.505 325 HA3 GLY 23 2HA GLY 23 9.387 -5.106 -17.268 326 H PHE 24 H PHE 24 8.631 -4.807 -15.347 327 HA PHE 24 HA PHE 24 9.790 -3.271 -13.217 328 HB2 PHE 24 1HB PHE 24 8.098 -4.419 -11.924 329 HB3 PHE 24 2HB PHE 24 7.373 -3.889 -13.425 330 HD1 PHE 24 HD2 PHE 24 7.089 -5.731 -15.294 331 HD2 PHE 24 HD1 PHE 24 8.140 -6.652 -11.219 332 HE1 PHE 24 HE2 PHE 24 6.389 -8.091 -15.639 333 HE2 PHE 24 HE1 PHE 24 7.457 -9.012 -11.583 334 HZ PHE 24 HZ PHE 24 6.597 -9.734 -13.795 335 H PHE 25 H PHE 25 10.281 -4.356 -11.143 336 HA PHE 25 HA PHE 25 12.574 -6.050 -11.519 337 HB2 PHE 25 1HB PHE 25 12.560 -4.205 -9.872 338 HB3 PHE 25 2HB PHE 25 11.147 -4.910 -9.062 339 HD1 PHE 25 HD1 PHE 25 14.600 -6.087 -10.102 340 HD2 PHE 25 HD2 PHE 25 11.546 -5.988 -7.075 341 HE1 PHE 25 HE1 PHE 25 16.063 -7.390 -8.581 342 HE2 PHE 25 HE2 PHE 25 13.012 -7.271 -5.553 343 HZ PHE 25 HZ PHE 25 15.246 -8.003 -6.283 344 H NVA 26 H ARX 26 12.136 -8.104 -12.068 345 HA NVA 26 HA ARX 26 10.466 -9.778 -10.235 346 HB2 NVA 26 1HB ARX 26 9.819 -11.207 -12.024 347 HB3 NVA 26 2HB ARX 26 9.558 -9.593 -12.555 348 HG2 NVA 26 1HG ARX 26 11.480 -9.619 -14.048 349 HG3 NVA 26 2HG ARX 26 12.066 -11.119 -13.325 350 HD2 NVA 26 1HD ARX 26 9.499 -11.908 -14.164 351 HD3 NVA 26 2HD ARX 26 9.959 -10.742 -15.426 352 H THR 27 H THR 27 13.622 -9.322 -11.037 353 HA THR 27 HA THR 27 15.623 -10.266 -10.541 354 HB THR 27 HB THR 27 15.888 -12.051 -9.034 355 HG1 THR 27 HG1 THR 27 13.264 -12.799 -9.757 356 HG21 THR 27 1HG2 THR 27 14.856 -10.021 -8.014 357 HG22 THR 27 2HG2 THR 27 14.491 -11.520 -7.141 358 HG23 THR 27 3HG2 THR 27 13.262 -10.785 -8.172 359 HA PRO 28 HA PRO 28 16.078 -12.625 -14.114 360 HB2 PRO 28 1HB PRO 28 18.095 -14.458 -13.799 361 HB3 PRO 28 2HB PRO 28 18.403 -12.701 -13.866 362 HG2 PRO 28 1HG PRO 28 18.128 -14.473 -11.441 363 HG3 PRO 28 2HG PRO 28 19.414 -13.298 -11.859 364 HD2 PRO 28 1HD PRO 28 17.369 -12.663 -10.185 365 HD3 PRO 28 2HD PRO 28 18.015 -11.443 -11.362 366 H HIX 29 H HIX 29 14.752 -13.954 -15.002 367 HA HIX 29 HA HIX 29 13.177 -15.813 -13.667 368 HB1 HIX 29 1HB HIX 29 13.704 -15.662 -16.658 369 HB2 HIX 29 2HB HIX 29 12.303 -16.406 -15.893 370 HD2 HIX 29 HD2 HIX 29 11.560 -13.929 -13.704 371 HD1 HIX 29 HD1 HIX 29 12.424 -13.606 -17.828 372 H THR 30 H THR 30 14.065 -17.410 -12.533 373 HA THR 30 HA THR 30 16.008 -19.262 -13.220 374 HB THR 30 HB THR 30 13.474 -19.987 -11.693 375 HG1 THR 30 HG1 THR 30 15.113 -18.936 -9.994 376 HG21 THR 30 1HG2 THR 30 15.125 -21.112 -10.124 377 HG22 THR 30 2HG2 THR 30 16.437 -20.601 -11.169 378 HG23 THR 30 3HG2 THR 30 15.231 -21.755 -11.792 379 HXT THR 30 H02 THR 30 13.147 -19.074 -14.476 Start of MODEL 11 1 H1 GLY 1 2H0 GLY 1 2.430 2.122 -1.918 2 H2 GLY 1 1H0 GLY 1 3.063 1.043 -0.860 3 HA2 GLY 1 1HA GLY 1 1.658 -0.749 -1.692 4 HA3 GLY 1 2HA GLY 1 0.672 0.644 -1.132 5 H ILE 2 H ILE 2 2.524 0.454 -4.079 6 HA ILE 2 HA ILE 2 0.430 1.442 -5.661 7 HB ILE 2 HB ILE 2 2.964 1.397 -6.104 8 HG12 ILE 2 1HG1 ILE 2 2.527 1.251 -8.653 9 HG13 ILE 2 2HG1 ILE 2 0.850 0.947 -8.200 10 HG21 ILE 2 1HG2 ILE 2 3.867 -0.411 -7.476 11 HG22 ILE 2 2HG2 ILE 2 3.261 -1.080 -5.934 12 HG23 ILE 2 3HG2 ILE 2 2.322 -1.278 -7.448 13 HD11 ILE 2 3HD1 ILE 2 1.213 3.347 -8.649 14 HD12 ILE 2 1HD1 ILE 2 0.779 3.093 -6.946 15 HD13 ILE 2 2HD1 ILE 2 2.495 3.413 -7.428 16 H VAL 3 H VAL 3 1.169 -1.911 -4.841 17 HA VAL 3 HA VAL 3 -0.415 -3.161 -6.834 18 HB VAL 3 HB VAL 3 0.151 -4.066 -3.975 19 HG11 VAL 3 1HG1 VAL 3 -1.760 -5.328 -4.886 20 HG12 VAL 3 2HG1 VAL 3 -0.849 -5.649 -6.379 21 HG13 VAL 3 3HG1 VAL 3 -0.329 -6.356 -4.861 22 HG21 VAL 3 3HG2 VAL 3 2.222 -3.691 -5.237 23 HG22 VAL 3 1HG2 VAL 3 1.940 -5.451 -5.046 24 HG23 VAL 3 2HG2 VAL 3 1.608 -4.645 -6.594 25 H GLU 4 H GLU 4 -1.361 -2.080 -3.524 26 HA GLU 4 HA GLU 4 -4.061 -3.016 -3.965 27 HB2 GLU 4 1HB GLU 4 -4.633 -1.816 -1.922 28 HB3 GLU 4 2HB GLU 4 -3.259 -2.905 -1.712 29 HG2 GLU 4 1HG GLU 4 -1.718 -1.005 -1.815 30 HG3 GLU 4 2HG GLU 4 -3.081 0.110 -2.010 31 HE2 GLU 4 HE2 GLU 4 -1.846 0.791 -0.261 32 H GLN 5 H GLN 5 -2.408 0.013 -4.762 33 HA GLN 5 HA GLN 5 -4.862 1.486 -5.169 34 HB2 GLN 5 1HB GLN 5 -2.109 1.861 -6.398 35 HB3 GLN 5 2HB GLN 5 -3.468 2.966 -6.609 36 HG2 GLN 5 1HG GLN 5 -3.585 3.270 -4.139 37 HG3 GLN 5 2HG GLN 5 -2.071 2.347 -4.008 38 HE21 GLN 5 2HE2 GLN 5 -3.163 5.364 -3.801 39 HE22 GLN 5 1HE2 GLN 5 -1.871 6.242 -4.530 40 H CYS 6 H CYS 6 -2.748 -0.474 -7.351 41 HA CYS 6 HA CYS 6 -4.474 -0.043 -9.592 42 HB2 CYS 6 1HB CYS 6 -2.022 -1.428 -9.047 43 HB3 CYS 6 2HB CYS 6 -3.121 -2.498 -9.922 44 H CYS 7 H CYS 7 -4.576 -2.277 -6.879 45 HA CYS 7 HA CYS 7 -6.405 -4.116 -8.126 46 HB2 CYS 7 1HB CYS 7 -4.982 -4.540 -6.063 47 HB3 CYS 7 2HB CYS 7 -6.154 -3.548 -5.161 48 H THR 8 H THR 8 -6.820 -1.361 -5.825 49 HA THR 8 HA THR 8 -9.702 -1.653 -5.843 50 HB THR 8 HB THR 8 -8.304 -0.782 -3.895 51 HG1 THR 8 HG1 THR 8 -9.915 0.608 -3.262 52 HG21 THR 8 1HG2 THR 8 -7.665 1.516 -3.814 53 HG22 THR 8 2HG2 THR 8 -8.405 1.872 -5.393 54 HG23 THR 8 3HG2 THR 8 -6.949 0.865 -5.290 55 H SER 9 H SER 9 -7.494 0.264 -7.847 56 HA SER 9 HA SER 9 -9.931 1.516 -9.037 57 HB2 SER 9 1HB SER 9 -8.343 3.049 -7.674 58 HB3 SER 9 2HB SER 9 -7.260 2.865 -9.058 59 HG SER 9 HG SER 9 -8.801 4.700 -9.134 60 H ILE 10 H ILE 10 -9.223 2.567 -11.271 61 HA ILE 10 HA ILE 10 -8.459 0.202 -12.855 62 HB ILE 10 HB ILE 10 -9.449 2.995 -13.641 63 HG12 ILE 10 1HG1 ILE 10 -11.061 1.379 -12.430 64 HG13 ILE 10 2HG1 ILE 10 -11.612 2.068 -13.929 65 HG21 ILE 10 1HG2 ILE 10 -8.871 0.539 -15.324 66 HG22 ILE 10 2HG2 ILE 10 -9.843 1.911 -15.902 67 HG23 ILE 10 3HG2 ILE 10 -8.143 2.155 -15.434 68 HD11 ILE 10 3HD1 ILE 10 -12.179 -0.374 -13.636 69 HD12 ILE 10 1HD1 ILE 10 -11.278 -0.004 -15.144 70 HD13 ILE 10 2HD1 ILE 10 -10.435 -0.719 -13.759 71 H CYS 11 H CYS 11 -6.467 -0.054 -13.730 72 HA CYS 11 HA CYS 11 -4.483 2.101 -13.455 73 HB2 CYS 11 1HB CYS 11 -4.082 -0.612 -14.713 74 HB3 CYS 11 2HB CYS 11 -2.876 0.415 -13.900 75 H SER 12 H SER 12 -3.402 3.039 -15.149 76 HA SER 12 HA SER 12 -4.592 2.640 -17.890 77 HB2 SER 12 1HB SER 12 -2.840 4.942 -17.136 78 HB3 SER 12 2HB SER 12 -4.085 4.846 -18.395 79 HG SER 12 HG SER 12 -4.822 4.516 -15.728 80 H LEU 13 H LEU 13 -3.077 2.788 -19.758 81 HA LEU 13 HA LEU 13 -0.910 1.018 -19.588 82 HB2 LEU 13 1HB LEU 13 -1.509 3.319 -21.474 83 HB3 LEU 13 2HB LEU 13 -0.083 2.331 -21.655 84 HG LEU 13 HG LEU 13 -1.664 1.668 -23.276 85 HD11 LEU 13 1HD1 LEU 13 -1.876 -0.701 -22.851 86 HD12 LEU 13 2HD1 LEU 13 -1.581 -0.458 -21.117 87 HD13 LEU 13 3HD1 LEU 13 -0.304 -0.107 -22.282 88 HD21 LEU 13 3HD2 LEU 13 -3.639 0.966 -21.085 89 HD22 LEU 13 1HD2 LEU 13 -3.860 0.842 -22.845 90 HD23 LEU 13 2HD2 LEU 13 -3.712 2.441 -22.082 91 H TYR 14 H TYR 14 -0.843 4.623 -19.383 92 HA TYR 14 HA TYR 14 1.970 4.799 -19.339 93 HB2 TYR 14 1HB TYR 14 0.385 6.743 -17.773 94 HB3 TYR 14 2HB TYR 14 1.706 7.004 -18.912 95 HD1 TYR 14 HD1 TYR 14 1.186 6.698 -21.418 96 HD2 TYR 14 HD2 TYR 14 -1.858 6.957 -18.388 97 HE1 TYR 14 HE1 TYR 14 -0.468 7.333 -23.136 98 HE2 TYR 14 HE2 TYR 14 -3.531 7.559 -20.109 99 HH TYR 14 HH TYR 14 -2.667 7.889 -23.552 100 H GLN 15 H GLN 15 -0.398 4.499 -16.710 101 HA GLN 15 HA GLN 15 1.437 4.923 -14.583 102 HB2 GLN 15 1HB GLN 15 -0.990 3.094 -14.547 103 HB3 GLN 15 2HB GLN 15 -0.223 3.873 -13.171 104 HG2 GLN 15 1HG GLN 15 -0.868 6.119 -14.190 105 HG3 GLN 15 2HG GLN 15 -1.833 5.197 -15.350 106 HE21 GLN 15 2HE2 GLN 15 -1.954 6.757 -12.435 107 HE22 GLN 15 1HE2 GLN 15 -3.346 5.983 -11.780 108 H LEU 16 H LEU 16 0.336 2.003 -16.333 109 HA LEU 16 HA LEU 16 1.820 0.187 -14.704 110 HB2 LEU 16 1HB LEU 16 0.889 -0.007 -17.590 111 HB3 LEU 16 2HB LEU 16 1.591 -1.355 -16.697 112 HG LEU 16 HG LEU 16 -0.954 0.058 -15.819 113 HD11 LEU 16 1HD1 LEU 16 -0.565 -2.526 -17.360 114 HD12 LEU 16 2HD1 LEU 16 -1.278 -1.021 -17.981 115 HD13 LEU 16 3HD1 LEU 16 -2.098 -1.917 -16.693 116 HD21 LEU 16 3HD2 LEU 16 -1.302 -1.950 -14.425 117 HD22 LEU 16 1HD2 LEU 16 0.162 -1.068 -13.962 118 HD23 LEU 16 2HD2 LEU 16 0.312 -2.540 -14.899 119 H GLU 17 H GLU 17 2.679 1.870 -17.790 120 HA GLU 17 HA GLU 17 5.246 0.620 -17.975 121 HB2 GLU 17 1HB GLU 17 4.157 3.220 -19.038 122 HB3 GLU 17 2HB GLU 17 5.819 2.693 -19.343 123 HG2 GLU 17 1HG GLU 17 4.920 0.577 -20.352 124 HG3 GLU 17 2HG GLU 17 3.292 1.250 -20.167 125 HE2 GLU 17 HE2 GLU 17 3.525 3.040 -22.959 126 H ASN 18 H ASN 18 4.147 3.402 -16.039 127 HA ASN 18 HA ASN 18 6.780 4.383 -15.442 128 HB2 ASN 18 1HB ASN 18 4.174 4.504 -13.904 129 HB3 ASN 18 2HB ASN 18 5.641 5.336 -13.415 130 HD21 ASN 18 2HD2 ASN 18 3.182 6.612 -13.994 131 HD22 ASN 18 1HD2 ASN 18 3.459 7.654 -15.381 132 H TYR 19 H TYR 19 5.160 1.472 -14.433 133 HA TYR 19 HA TYR 19 6.738 1.260 -11.929 134 HB2 TYR 19 1HB TYR 19 5.039 -0.872 -13.241 135 HB3 TYR 19 2HB TYR 19 5.566 -0.796 -11.576 136 HD1 TYR 19 HD1 TYR 19 4.826 2.368 -11.362 137 HD2 TYR 19 HD2 TYR 19 2.687 -1.193 -12.560 138 HE1 TYR 19 HE1 TYR 19 2.652 3.446 -10.792 139 HE2 TYR 19 HE2 TYR 19 0.525 -0.087 -11.938 140 HH TYR 19 HH TYR 19 0.418 3.253 -10.664 141 H CYS 20 H CYS 20 7.493 1.029 -15.077 142 HA CYS 20 HA CYS 20 9.379 -1.297 -14.730 143 HB2 CYS 20 1HB CYS 20 7.937 -0.222 -17.176 144 HB3 CYS 20 2HB CYS 20 9.238 -1.440 -17.244 145 H ASN 21 H ASN 21 11.229 -1.073 -16.427 146 HA ASN 21 HA ASN 21 12.539 1.427 -15.857 147 HB2 ASN 21 1HB ASN 21 13.695 -0.882 -16.241 148 HB3 ASN 21 2HB ASN 21 13.513 -0.558 -17.957 149 HD21 ASN 21 2HD2 ASN 21 13.971 2.273 -18.010 150 HD22 ASN 21 1HD2 ASN 21 15.618 2.530 -17.486 151 HXT ASN 21 H02 ASN 21 11.028 2.638 -16.663 152 H1 PHE 1 2H0 PHE 1 -6.334 -3.514 -26.335 153 H2 PHE 1 1H0 PHE 1 -5.370 -2.210 -26.381 154 HA PHE 1 HA PHE 1 -5.552 -4.059 -24.085 155 HB2 PHE 1 1HB PHE 1 -3.296 -2.875 -24.598 156 HB3 PHE 1 2HB PHE 1 -4.144 -1.378 -24.293 157 HD1 PHE 1 HD2 PHE 1 -5.144 -0.950 -21.974 158 HD2 PHE 1 HD1 PHE 1 -2.481 -4.250 -22.838 159 HE1 PHE 1 HE2 PHE 1 -4.642 -1.205 -19.548 160 HE2 PHE 1 HE1 PHE 1 -2.025 -4.499 -20.416 161 HZ PHE 1 HZ PHE 1 -3.080 -2.982 -18.770 162 H VAL 2 H VAL 2 -6.778 -3.489 -22.377 163 HA VAL 2 HA VAL 2 -8.465 -1.023 -22.660 164 HB VAL 2 HB VAL 2 -9.360 -3.744 -21.561 165 HG11 VAL 2 1HG1 VAL 2 -10.470 -1.867 -20.413 166 HG12 VAL 2 2HG1 VAL 2 -10.901 -1.133 -21.971 167 HG13 VAL 2 3HG1 VAL 2 -11.619 -2.684 -21.458 168 HG21 VAL 2 3HG2 VAL 2 -10.905 -3.739 -23.568 169 HG22 VAL 2 1HG2 VAL 2 -10.021 -2.324 -24.193 170 HG23 VAL 2 2HG2 VAL 2 -9.191 -3.905 -23.986 171 H ASN 3 H ASN 3 -8.265 0.298 -20.949 172 HA ASN 3 HA ASN 3 -6.524 -0.203 -18.731 173 HB2 ASN 3 1HB ASN 3 -8.800 1.769 -19.049 174 HB3 ASN 3 2HB ASN 3 -7.748 1.709 -17.646 175 HD21 ASN 3 2HD2 ASN 3 -8.036 3.987 -19.178 176 HD22 ASN 3 1HD2 ASN 3 -6.546 4.309 -20.006 177 H GLN 4 H GLN 4 -6.861 -1.305 -16.826 178 HA GLN 4 HA GLN 4 -9.650 -1.940 -16.026 179 HB2 GLN 4 1HB GLN 4 -9.222 -4.374 -16.060 180 HB3 GLN 4 2HB GLN 4 -9.078 -3.669 -17.667 181 HG2 GLN 4 1HG GLN 4 -6.578 -3.637 -17.359 182 HG3 GLN 4 2HG GLN 4 -6.812 -4.515 -15.841 183 HE21 GLN 4 2HE2 GLN 4 -7.180 -4.654 -19.342 184 HE22 GLN 4 1HE2 GLN 4 -7.190 -6.391 -19.440 185 H HIS 5 H HIS 5 -9.579 -3.544 -14.027 186 HA HIS 5 HA HIS 5 -7.714 -2.403 -12.041 187 HB2 HIS 5 1HB HIS 5 -9.813 -4.612 -11.883 188 HB3 HIS 5 2HB HIS 5 -8.799 -4.110 -10.517 189 HD1 HIS 5 HD1 HIS 5 -9.250 -1.754 -9.459 190 HD2 HIS 5 HD2 HIS 5 -11.985 -2.909 -12.427 191 HE1 HIS 5 HE1 HIS 5 -11.221 -0.132 -9.356 192 HE2 HIS 5 HE2 HIS 5 -12.859 -0.877 -11.090 193 H LEU 6 H LEU 6 -5.806 -3.453 -11.415 194 HA LEU 6 HA LEU 6 -5.392 -6.247 -12.398 195 HB2 LEU 6 1HB LEU 6 -3.450 -3.910 -12.291 196 HB3 LEU 6 2HB LEU 6 -2.960 -5.589 -12.352 197 HG LEU 6 HG LEU 6 -2.586 -4.922 -14.469 198 HD11 LEU 6 1HD1 LEU 6 -4.217 -5.970 -15.977 199 HD12 LEU 6 2HD1 LEU 6 -5.418 -6.030 -14.661 200 HD13 LEU 6 3HD1 LEU 6 -3.889 -6.972 -14.564 201 HD21 LEU 6 3HD2 LEU 6 -4.031 -3.574 -15.884 202 HD22 LEU 6 1HD2 LEU 6 -3.568 -2.730 -14.395 203 HD23 LEU 6 2HD2 LEU 6 -5.199 -3.429 -14.565 204 H CYS 7 H CYS 7 -5.088 -7.567 -10.734 205 HA CYS 7 HA CYS 7 -3.998 -6.432 -8.194 206 HB2 CYS 7 1HB CYS 7 -6.556 -6.493 -8.381 207 HB3 CYS 7 2HB CYS 7 -6.413 -8.264 -8.313 208 H GLY 8 H GLY 8 -2.784 -7.936 -6.963 209 HA2 GLY 8 1HA GLY 8 -1.500 -9.842 -6.655 210 HA3 GLY 8 2HA GLY 8 -2.866 -10.749 -7.309 211 H SER 9 H SER 9 -1.759 -12.175 -8.637 212 HA SER 9 HA SER 9 0.483 -11.564 -10.202 213 HB2 SER 9 1HB SER 9 -0.400 -13.822 -9.587 214 HB3 SER 9 2HB SER 9 -1.663 -13.630 -10.830 215 HG SER 9 HG SER 9 0.200 -13.279 -12.314 216 H HIS 10 H HIS 10 -2.759 -10.499 -10.860 217 HA HIS 10 HA HIS 10 -2.569 -10.519 -13.755 218 HB2 HIS 10 1HB HIS 10 -4.463 -9.727 -11.778 219 HB3 HIS 10 2HB HIS 10 -4.202 -8.346 -12.837 220 HD1 HIS 10 HD1 HIS 10 -5.818 -8.320 -14.776 221 HD2 HIS 10 HD2 HIS 10 -4.939 -12.200 -13.484 222 HE1 HIS 10 HE1 HIS 10 -7.158 -9.919 -16.248 223 HE2 HIS 10 HE2 HIS 10 -6.599 -12.251 -15.477 224 H LEU 11 H LEU 11 -1.373 -8.426 -11.184 225 HA LEU 11 HA LEU 11 -0.959 -6.116 -12.826 226 HB2 LEU 11 1HB LEU 11 -0.794 -6.756 -10.167 227 HB3 LEU 11 2HB LEU 11 0.894 -6.463 -10.565 228 HG LEU 11 HG LEU 11 -1.312 -4.464 -11.234 229 HD11 LEU 11 1HD1 LEU 11 0.227 -4.810 -8.626 230 HD12 LEU 11 2HD1 LEU 11 -1.546 -4.927 -8.873 231 HD13 LEU 11 3HD1 LEU 11 -0.717 -3.360 -9.067 232 HD21 LEU 11 3HD2 LEU 11 0.807 -3.988 -12.310 233 HD22 LEU 11 1HD2 LEU 11 1.679 -4.203 -10.785 234 HD23 LEU 11 2HD2 LEU 11 0.561 -2.838 -10.978 235 H VAL 12 H VAL 12 1.272 -8.738 -11.713 236 HA VAL 12 HA VAL 12 3.489 -7.720 -13.215 237 HB VAL 12 HB VAL 12 4.547 -9.932 -12.864 238 HG11 VAL 12 1HG1 VAL 12 3.191 -8.821 -10.370 239 HG12 VAL 12 2HG1 VAL 12 4.694 -9.771 -10.416 240 HG13 VAL 12 3HG1 VAL 12 4.660 -8.159 -11.149 241 HG21 VAL 12 3HG2 VAL 12 1.942 -10.716 -11.468 242 HG22 VAL 12 1HG2 VAL 12 2.502 -11.369 -13.000 243 HG23 VAL 12 2HG2 VAL 12 3.443 -11.679 -11.532 244 H GLU 13 H GLU 13 0.804 -9.858 -14.164 245 HA GLU 13 HA GLU 13 2.039 -10.658 -16.639 246 HB2 GLU 13 1HB GLU 13 -0.832 -10.498 -15.669 247 HB3 GLU 13 2HB GLU 13 -0.441 -10.994 -17.332 248 HG2 GLU 13 1HG GLU 13 0.884 -12.860 -16.522 249 HG3 GLU 13 2HG GLU 13 0.648 -12.337 -14.853 250 HE2 GLU 13 HE2 GLU 13 -1.811 -14.642 -14.839 251 H ALA 14 H ALA 14 -0.093 -7.935 -15.702 252 HA ALA 14 HA ALA 14 -0.354 -6.914 -18.366 253 HB1 ALA 14 3HB ALA 14 -1.837 -6.268 -16.512 254 HB2 ALA 14 1HB ALA 14 -0.470 -5.472 -15.694 255 HB3 ALA 14 2HB ALA 14 -1.053 -4.836 -17.233 256 H LEU 15 H LEU 15 2.023 -6.360 -15.759 257 HA LEU 15 HA LEU 15 3.464 -4.335 -17.197 258 HB2 LEU 15 1HB LEU 15 4.321 -6.184 -14.951 259 HB3 LEU 15 2HB LEU 15 5.273 -4.849 -15.591 260 HG LEU 15 HG LEU 15 2.640 -4.610 -14.186 261 HD11 LEU 15 1HD1 LEU 15 3.903 -3.472 -12.447 262 HD12 LEU 15 2HD1 LEU 15 5.398 -3.685 -13.389 263 HD13 LEU 15 3HD1 LEU 15 4.552 -5.099 -12.716 264 HD21 LEU 15 3HD2 LEU 15 4.360 -2.505 -15.476 265 HD22 LEU 15 1HD2 LEU 15 3.036 -2.171 -14.340 266 HD23 LEU 15 2HD2 LEU 15 2.686 -2.955 -15.887 267 H TYR 16 H TYR 16 3.739 -7.886 -17.036 268 HA TYR 16 HA TYR 16 6.183 -8.096 -18.509 269 HB2 TYR 16 1HB TYR 16 5.284 -10.062 -17.443 270 HB3 TYR 16 2HB TYR 16 3.746 -9.882 -18.282 271 HD1 TYR 16 HD2 TYR 16 7.345 -10.727 -18.861 272 HD2 TYR 16 HD1 TYR 16 3.355 -10.795 -20.476 273 HE1 TYR 16 HE2 TYR 16 8.110 -12.180 -20.767 274 HE2 TYR 16 HE1 TYR 16 4.135 -12.259 -22.333 275 HH TYR 16 HH TYR 16 5.931 -13.329 -23.301 276 H LEU 17 H LEU 17 2.756 -7.836 -19.538 277 HA LEU 17 HA LEU 17 3.344 -8.050 -22.339 278 HB2 LEU 17 1HB LEU 17 1.036 -6.880 -20.756 279 HB3 LEU 17 2HB LEU 17 1.054 -6.854 -22.518 280 HG LEU 17 HG LEU 17 1.279 -9.426 -20.902 281 HD11 LEU 17 1HD1 LEU 17 -0.864 -8.290 -20.445 282 HD12 LEU 17 2HD1 LEU 17 -1.127 -9.745 -21.422 283 HD13 LEU 17 3HD1 LEU 17 -1.171 -8.127 -22.196 284 HD21 LEU 17 3HD2 LEU 17 2.139 -9.582 -23.206 285 HD22 LEU 17 1HD2 LEU 17 0.650 -8.877 -23.842 286 HD23 LEU 17 2HD2 LEU 17 0.616 -10.469 -23.064 287 H VAL 18 H VAL 18 2.870 -5.191 -20.186 288 HA VAL 18 HA VAL 18 2.996 -3.465 -22.506 289 HB VAL 18 HB VAL 18 1.602 -3.234 -20.304 290 HG11 VAL 18 1HG1 VAL 18 2.458 -1.853 -18.599 291 HG12 VAL 18 2HG1 VAL 18 3.613 -3.167 -18.843 292 HG13 VAL 18 3HG1 VAL 18 3.961 -1.560 -19.510 293 HG21 VAL 18 3HG2 VAL 18 1.367 -0.846 -20.660 294 HG22 VAL 18 1HG2 VAL 18 2.901 -0.845 -21.597 295 HG23 VAL 18 2HG2 VAL 18 1.484 -1.737 -22.201 296 H CYS 19 H CYS 19 5.333 -4.609 -20.259 297 HA CYS 19 HA CYS 19 7.254 -2.483 -21.105 298 HB2 CYS 19 1HB CYS 19 7.582 -4.441 -18.832 299 HB3 CYS 19 2HB CYS 19 8.512 -2.969 -19.149 300 H GLY 20 H GLY 20 6.891 -6.046 -20.935 301 HA2 GLY 20 1HA GLY 20 7.976 -7.660 -22.112 302 HA3 GLY 20 2HA GLY 20 8.342 -6.398 -23.271 303 H GLU 21 H GLU 21 10.346 -6.033 -23.702 304 HA GLU 21 HA GLU 21 12.525 -7.412 -22.450 305 HB2 GLU 21 1HB GLU 21 12.500 -4.937 -24.227 306 HB3 GLU 21 2HB GLU 21 13.934 -5.925 -23.876 307 HG2 GLU 21 1HG GLU 21 12.827 -7.883 -24.937 308 HG3 GLU 21 2HG GLU 21 11.467 -6.823 -25.365 309 HE2 GLU 21 HE2 GLU 21 14.021 -7.109 -27.997 310 H ARG 22 H ARG 22 10.911 -4.420 -21.651 311 HA ARG 22 HA ARG 22 13.228 -3.593 -19.909 312 HB2 ARG 22 1HB ARG 22 10.860 -1.969 -20.885 313 HB3 ARG 22 2HB ARG 22 12.234 -1.372 -19.957 314 HG2 ARG 22 1HG ARG 22 13.516 -2.512 -22.116 315 HG3 ARG 22 2HG ARG 22 11.995 -1.930 -22.855 316 HD2 ARG 22 1HD ARG 22 13.419 -0.096 -23.030 317 HD3 ARG 22 2HD ARG 22 12.465 0.265 -21.574 318 HE ARG 22 HE ARG 22 14.816 -1.202 -20.858 319 HH11 ARG 22 1HH1 ARG 22 13.952 2.040 -21.966 320 HH12 ARG 22 2HH1 ARG 22 15.347 2.763 -21.249 321 HH21 ARG 22 1HH2 ARG 22 16.564 -0.221 -19.942 322 HH22 ARG 22 2HH2 ARG 22 16.824 1.493 -20.103 323 H GLY 23 H GLY 23 11.432 -5.745 -19.280 324 HA2 GLY 23 1HA GLY 23 9.285 -5.103 -17.700 325 HA3 GLY 23 2HA GLY 23 10.316 -6.509 -17.445 326 H PHE 24 H PHE 24 8.871 -5.408 -15.548 327 HA PHE 24 HA PHE 24 10.191 -3.553 -13.832 328 HB2 PHE 24 1HB PHE 24 8.504 -4.386 -12.221 329 HB3 PHE 24 2HB PHE 24 7.773 -4.036 -13.797 330 HD1 PHE 24 HD2 PHE 24 7.163 -5.894 -15.373 331 HD2 PHE 24 HD1 PHE 24 8.429 -6.644 -11.316 332 HE1 PHE 24 HE2 PHE 24 6.285 -8.190 -15.532 333 HE2 PHE 24 HE1 PHE 24 7.550 -8.975 -11.485 334 HZ PHE 24 HZ PHE 24 6.505 -9.765 -13.608 335 H PHE 25 H PHE 25 10.746 -4.218 -11.576 336 HA PHE 25 HA PHE 25 12.910 -6.127 -11.690 337 HB2 PHE 25 1HB PHE 25 12.729 -3.948 -10.310 338 HB3 PHE 25 2HB PHE 25 11.761 -4.897 -9.176 339 HD1 PHE 25 HD1 PHE 25 12.845 -6.964 -8.100 340 HD2 PHE 25 HD2 PHE 25 15.064 -4.068 -10.369 341 HE1 PHE 25 HE1 PHE 25 14.953 -7.752 -7.022 342 HE2 PHE 25 HE2 PHE 25 17.194 -4.883 -9.363 343 HZ PHE 25 HZ PHE 25 17.145 -6.707 -7.663 344 H NVA 26 H ARX 26 12.302 -8.177 -11.942 345 HA NVA 26 HA ARX 26 10.446 -9.485 -10.020 346 HB2 NVA 26 1HB ARX 26 9.855 -9.740 -12.451 347 HB3 NVA 26 2HB ARX 26 11.424 -10.398 -12.801 348 HG2 NVA 26 1HG ARX 26 9.838 -12.217 -12.725 349 HG3 NVA 26 2HG ARX 26 10.895 -12.391 -11.342 350 HD2 NVA 26 1HD ARX 26 9.010 -11.172 -9.940 351 HD3 NVA 26 2HD ARX 26 7.996 -11.415 -11.369 352 H THR 27 H THR 27 11.214 -10.705 -8.487 353 HA THR 27 HA THR 27 14.084 -11.429 -8.342 354 HB THR 27 HB THR 27 13.261 -12.306 -6.023 355 HG1 THR 27 HG1 THR 27 10.978 -12.224 -7.077 356 HG21 THR 27 1HG2 THR 27 12.893 -10.061 -5.068 357 HG22 THR 27 2HG2 THR 27 12.695 -9.383 -6.693 358 HG23 THR 27 3HG2 THR 27 14.249 -10.059 -6.194 359 HA PRO 28 HA PRO 28 13.202 -15.461 -9.723 360 HB2 PRO 28 1HB PRO 28 14.251 -17.329 -8.007 361 HB3 PRO 28 2HB PRO 28 15.263 -16.294 -9.070 362 HG2 PRO 28 1HG PRO 28 14.547 -15.870 -6.169 363 HG3 PRO 28 2HG PRO 28 16.162 -15.842 -6.950 364 HD2 PRO 28 1HD PRO 28 14.828 -13.539 -6.464 365 HD3 PRO 28 2HD PRO 28 15.738 -13.760 -8.017 366 H HIX 29 H HIX 29 11.237 -16.211 -9.876 367 HA HIX 29 HA HIX 29 9.401 -16.480 -7.640 368 HB1 HIX 29 1HB HIX 29 9.011 -17.122 -10.593 369 HB2 HIX 29 2HB HIX 29 7.753 -17.268 -9.374 370 HD2 HIX 29 HD2 HIX 29 10.008 -14.480 -11.144 371 HD1 HIX 29 HD1 HIX 29 6.675 -14.851 -8.542 372 H THR 30 H THR 30 10.574 -17.888 -6.374 373 HA THR 30 HA THR 30 9.636 -20.639 -6.583 374 HB THR 30 HB THR 30 12.513 -20.840 -6.030 375 HG1 THR 30 HG1 THR 30 11.612 -19.903 -8.567 376 HG21 THR 30 1HG2 THR 30 10.735 -22.069 -8.211 377 HG22 THR 30 2HG2 THR 30 10.945 -22.775 -6.592 378 HG23 THR 30 3HG2 THR 30 12.320 -22.688 -7.705 379 HXT THR 30 H02 THR 30 11.247 -19.257 -3.324 Start of MODEL 12 1 H1 GLY 1 2H0 GLY 1 2.141 -1.264 -0.118 2 H2 GLY 1 1H0 GLY 1 0.690 -0.581 -0.494 3 HA2 GLY 1 1HA GLY 1 2.575 0.699 -1.411 4 HA3 GLY 1 2HA GLY 1 3.031 -0.771 -2.310 5 H ILE 2 H ILE 2 2.842 0.048 -4.360 6 HA ILE 2 HA ILE 2 0.415 1.511 -5.123 7 HB ILE 2 HB ILE 2 2.917 1.808 -5.999 8 HG12 ILE 2 1HG1 ILE 2 1.986 2.676 -8.166 9 HG13 ILE 2 2HG1 ILE 2 0.391 2.071 -7.644 10 HG21 ILE 2 1HG2 ILE 2 3.379 0.595 -8.122 11 HG22 ILE 2 2HG2 ILE 2 3.047 -0.604 -6.850 12 HG23 ILE 2 3HG2 ILE 2 1.832 -0.220 -8.106 13 HD11 ILE 2 3HD1 ILE 2 0.596 3.557 -5.620 14 HD12 ILE 2 1HD1 ILE 2 2.177 4.091 -6.206 15 HD13 ILE 2 2HD1 ILE 2 0.722 4.479 -7.143 16 H VAL 3 H VAL 3 1.230 -1.816 -5.004 17 HA VAL 3 HA VAL 3 -0.288 -2.831 -7.206 18 HB VAL 3 HB VAL 3 0.207 -4.065 -4.442 19 HG11 VAL 3 1HG1 VAL 3 -1.712 -5.156 -5.573 20 HG12 VAL 3 2HG1 VAL 3 -0.746 -5.348 -7.050 21 HG13 VAL 3 3HG1 VAL 3 -0.272 -6.219 -5.586 22 HG21 VAL 3 3HG2 VAL 3 1.687 -4.372 -7.126 23 HG22 VAL 3 1HG2 VAL 3 2.309 -3.584 -5.646 24 HG23 VAL 3 2HG2 VAL 3 2.027 -5.334 -5.651 25 H GLU 4 H GLU 4 -1.306 -2.069 -3.792 26 HA GLU 4 HA GLU 4 -4.015 -2.860 -4.295 27 HB2 GLU 4 1HB GLU 4 -4.597 -1.862 -2.232 28 HB3 GLU 4 2HB GLU 4 -3.033 -2.682 -2.048 29 HG2 GLU 4 1HG GLU 4 -1.927 -0.469 -2.174 30 HG3 GLU 4 2HG GLU 4 -3.505 0.305 -2.293 31 HE2 GLU 4 HE2 GLU 4 -3.908 1.123 -0.593 32 H GLN 5 H GLN 5 -2.279 0.155 -5.028 33 HA GLN 5 HA GLN 5 -4.715 1.690 -5.365 34 HB2 GLN 5 1HB GLN 5 -2.447 2.690 -5.027 35 HB3 GLN 5 2HB GLN 5 -1.998 2.125 -6.630 36 HG2 GLN 5 1HG GLN 5 -3.676 3.571 -7.664 37 HG3 GLN 5 2HG GLN 5 -4.226 4.105 -6.070 38 HE21 GLN 5 2HE2 GLN 5 -2.481 5.055 -8.655 39 HE22 GLN 5 1HE2 GLN 5 -1.368 6.155 -7.849 40 H CYS 6 H CYS 6 -2.586 -0.116 -7.535 41 HA CYS 6 HA CYS 6 -4.033 0.414 -9.948 42 HB2 CYS 6 1HB CYS 6 -1.638 -0.331 -9.821 43 HB3 CYS 6 2HB CYS 6 -2.207 -1.910 -9.236 44 H CYS 7 H CYS 7 -4.414 -1.921 -7.357 45 HA CYS 7 HA CYS 7 -6.350 -3.566 -8.816 46 HB2 CYS 7 1HB CYS 7 -4.955 -4.423 -6.962 47 HB3 CYS 7 2HB CYS 7 -5.739 -3.331 -5.858 48 H THR 8 H THR 8 -6.652 -1.131 -6.138 49 HA THR 8 HA THR 8 -9.564 -1.390 -6.159 50 HB THR 8 HB THR 8 -8.194 -0.737 -4.141 51 HG1 THR 8 HG1 THR 8 -10.469 0.686 -5.050 52 HG21 THR 8 1HG2 THR 8 -7.520 1.516 -3.818 53 HG22 THR 8 2HG2 THR 8 -8.334 2.094 -5.268 54 HG23 THR 8 3HG2 THR 8 -6.873 1.109 -5.424 55 H SER 9 H SER 9 -7.416 0.687 -7.939 56 HA SER 9 HA SER 9 -9.825 2.224 -8.914 57 HB2 SER 9 1HB SER 9 -7.914 3.545 -7.815 58 HB3 SER 9 2HB SER 9 -6.909 3.055 -9.218 59 HG SER 9 HG SER 9 -8.270 5.125 -9.227 60 H ILE 10 H ILE 10 -9.282 2.941 -11.323 61 HA ILE 10 HA ILE 10 -8.796 0.428 -12.790 62 HB ILE 10 HB ILE 10 -9.819 3.168 -13.618 63 HG12 ILE 10 1HG1 ILE 10 -11.349 1.528 -12.454 64 HG13 ILE 10 2HG1 ILE 10 -11.909 2.036 -14.038 65 HG21 ILE 10 1HG2 ILE 10 -9.071 0.819 -15.373 66 HG22 ILE 10 2HG2 ILE 10 -10.140 2.148 -15.907 67 HG23 ILE 10 3HG2 ILE 10 -8.445 2.462 -15.453 68 HD11 ILE 10 3HD1 ILE 10 -12.302 -0.354 -13.635 69 HD12 ILE 10 1HD1 ILE 10 -11.205 -0.109 -15.011 70 HD13 ILE 10 2HD1 ILE 10 -10.541 -0.608 -13.426 71 H CYS 11 H CYS 11 -6.874 -0.079 -13.493 72 HA CYS 11 HA CYS 11 -4.660 1.835 -13.282 73 HB2 CYS 11 1HB CYS 11 -4.961 -0.900 -13.039 74 HB3 CYS 11 2HB CYS 11 -4.099 -0.745 -14.564 75 H SER 12 H SER 12 -3.174 2.248 -15.124 76 HA SER 12 HA SER 12 -4.456 1.988 -17.830 77 HB2 SER 12 1HB SER 12 -3.086 4.558 -17.159 78 HB3 SER 12 2HB SER 12 -4.491 4.260 -18.156 79 HG SER 12 HG SER 12 -5.717 3.949 -16.269 80 H LEU 13 H LEU 13 -2.992 2.438 -19.597 81 HA LEU 13 HA LEU 13 -0.737 0.843 -19.497 82 HB2 LEU 13 1HB LEU 13 -1.475 3.151 -21.285 83 HB3 LEU 13 2HB LEU 13 -0.084 2.175 -21.616 84 HG LEU 13 HG LEU 13 -2.847 0.938 -21.335 85 HD11 LEU 13 1HD1 LEU 13 -3.001 2.653 -23.143 86 HD12 LEU 13 2HD1 LEU 13 -3.024 0.986 -23.815 87 HD13 LEU 13 3HD1 LEU 13 -1.528 1.969 -23.875 88 HD21 LEU 13 3HD2 LEU 13 -1.771 -0.870 -22.743 89 HD22 LEU 13 1HD2 LEU 13 -0.920 -0.627 -21.197 90 HD23 LEU 13 2HD2 LEU 13 -0.270 0.076 -22.702 91 H TYR 14 H TYR 14 -0.859 4.391 -19.163 92 HA TYR 14 HA TYR 14 2.013 4.670 -19.167 93 HB2 TYR 14 1HB TYR 14 0.308 6.749 -17.841 94 HB3 TYR 14 2HB TYR 14 1.618 6.937 -19.045 95 HD1 TYR 14 HD2 TYR 14 1.064 6.014 -21.490 96 HD2 TYR 14 HD1 TYR 14 -1.927 6.974 -18.538 97 HE1 TYR 14 HE2 TYR 14 -0.656 6.200 -23.287 98 HE2 TYR 14 HE1 TYR 14 -3.659 7.159 -20.353 99 HH TYR 14 HH TYR 14 -2.873 6.606 -23.802 100 H GLN 15 H GLN 15 -0.427 4.395 -16.612 101 HA GLN 15 HA GLN 15 1.324 4.866 -14.388 102 HB2 GLN 15 1HB GLN 15 -1.032 2.960 -14.459 103 HB3 GLN 15 2HB GLN 15 -0.306 3.723 -13.041 104 HG2 GLN 15 1HG GLN 15 -0.988 5.981 -14.370 105 HG3 GLN 15 2HG GLN 15 -2.164 4.864 -15.095 106 HE21 GLN 15 2HE2 GLN 15 -4.075 5.011 -14.103 107 HE22 GLN 15 1HE2 GLN 15 -4.340 5.240 -12.384 108 H LEU 16 H LEU 16 0.428 1.916 -16.260 109 HA LEU 16 HA LEU 16 1.911 0.185 -14.541 110 HB2 LEU 16 1HB LEU 16 1.055 -0.074 -17.484 111 HB3 LEU 16 2HB LEU 16 1.802 -1.346 -16.572 112 HG LEU 16 HG LEU 16 -0.831 -0.127 -15.685 113 HD11 LEU 16 1HD1 LEU 16 -0.340 -2.579 -17.453 114 HD12 LEU 16 2HD1 LEU 16 -1.186 -1.069 -17.896 115 HD13 LEU 16 3HD1 LEU 16 -1.899 -2.160 -16.668 116 HD21 LEU 16 3HD2 LEU 16 -1.029 -2.263 -14.500 117 HD22 LEU 16 1HD2 LEU 16 0.325 -1.273 -13.967 118 HD23 LEU 16 2HD2 LEU 16 0.618 -2.685 -15.005 119 H GLU 17 H GLU 17 2.733 1.964 -17.510 120 HA GLU 17 HA GLU 17 5.362 0.849 -17.843 121 HB2 GLU 17 1HB GLU 17 4.113 3.469 -18.637 122 HB3 GLU 17 2HB GLU 17 5.810 3.117 -18.965 123 HG2 GLU 17 1HG GLU 17 3.943 1.020 -19.795 124 HG3 GLU 17 2HG GLU 17 3.702 2.562 -20.634 125 HE2 GLU 17 HE2 GLU 17 6.156 0.395 -19.707 126 H ASN 18 H ASN 18 4.110 3.446 -15.772 127 HA ASN 18 HA ASN 18 6.715 4.384 -14.985 128 HB2 ASN 18 1HB ASN 18 3.978 4.555 -13.693 129 HB3 ASN 18 2HB ASN 18 5.418 5.211 -12.932 130 HD21 ASN 18 2HD2 ASN 18 3.086 6.677 -13.893 131 HD22 ASN 18 1HD2 ASN 18 3.724 7.795 -15.062 132 H TYR 19 H TYR 19 5.113 1.431 -14.176 133 HA TYR 19 HA TYR 19 6.502 1.177 -11.595 134 HB2 TYR 19 1HB TYR 19 4.921 -0.931 -13.057 135 HB3 TYR 19 2HB TYR 19 5.426 -0.936 -11.381 136 HD1 TYR 19 HD1 TYR 19 4.565 2.189 -11.058 137 HD2 TYR 19 HD2 TYR 19 2.590 -1.366 -12.447 138 HE1 TYR 19 HE1 TYR 19 2.363 3.151 -10.417 139 HE2 TYR 19 HE2 TYR 19 0.406 -0.390 -11.828 140 HH TYR 19 HH TYR 19 0.135 2.864 -10.368 141 H CYS 20 H CYS 20 7.365 0.828 -14.787 142 HA CYS 20 HA CYS 20 9.369 -1.298 -14.185 143 HB2 CYS 20 1HB CYS 20 8.982 -2.318 -16.293 144 HB3 CYS 20 2HB CYS 20 7.375 -2.085 -15.581 145 H ASN 21 H ASN 21 10.743 -1.127 -16.675 146 HA ASN 21 HA ASN 21 12.012 1.448 -16.223 147 HB2 ASN 21 1HB ASN 21 13.184 -0.800 -16.848 148 HB3 ASN 21 2HB ASN 21 12.858 -0.292 -18.494 149 HD21 ASN 21 2HD2 ASN 21 13.148 2.614 -18.081 150 HD22 ASN 21 1HD2 ASN 21 14.825 2.815 -17.727 151 HXT ASN 21 H02 ASN 21 10.321 3.280 -18.306 152 H1 PHE 1 2H0 PHE 1 -4.665 -3.992 -26.176 153 H2 PHE 1 1H0 PHE 1 -6.193 -3.400 -26.263 154 HA PHE 1 HA PHE 1 -5.190 -4.144 -24.014 155 HB2 PHE 1 1HB PHE 1 -3.246 -2.607 -24.383 156 HB3 PHE 1 2HB PHE 1 -4.330 -1.243 -24.270 157 HD1 PHE 1 HD2 PHE 1 -2.661 -3.940 -22.393 158 HD2 PHE 1 HD1 PHE 1 -5.269 -0.522 -22.116 159 HE1 PHE 1 HE2 PHE 1 -2.349 -3.928 -19.922 160 HE2 PHE 1 HE1 PHE 1 -4.920 -0.487 -19.612 161 HZ PHE 1 HZ PHE 1 -3.450 -2.189 -18.569 162 H VAL 2 H VAL 2 -6.273 -3.684 -22.142 163 HA VAL 2 HA VAL 2 -8.528 -1.777 -22.414 164 HB VAL 2 HB VAL 2 -9.508 -3.930 -23.036 165 HG11 VAL 2 1HG1 VAL 2 -8.526 -4.957 -20.308 166 HG12 VAL 2 2HG1 VAL 2 -9.608 -5.803 -21.448 167 HG13 VAL 2 3HG1 VAL 2 -7.925 -5.440 -21.887 168 HG21 VAL 2 3HG2 VAL 2 -11.334 -4.045 -21.395 169 HG22 VAL 2 1HG2 VAL 2 -10.388 -3.092 -20.228 170 HG23 VAL 2 2HG2 VAL 2 -10.904 -2.353 -21.775 171 H ASN 3 H ASN 3 -8.792 -0.575 -20.704 172 HA ASN 3 HA ASN 3 -6.869 -0.785 -18.513 173 HB2 ASN 3 1HB ASN 3 -7.991 1.368 -17.825 174 HB3 ASN 3 2HB ASN 3 -7.258 1.385 -19.451 175 HD21 ASN 3 2HD2 ASN 3 -9.933 2.343 -17.735 176 HD22 ASN 3 1HD2 ASN 3 -11.076 2.408 -19.068 177 H GLN 4 H GLN 4 -7.248 -1.938 -16.731 178 HA GLN 4 HA GLN 4 -10.028 -2.204 -15.743 179 HB2 GLN 4 1HB GLN 4 -8.125 -4.485 -16.268 180 HB3 GLN 4 2HB GLN 4 -9.666 -4.578 -15.392 181 HG2 GLN 4 1HG GLN 4 -10.798 -3.712 -17.525 182 HG3 GLN 4 2HG GLN 4 -9.297 -4.093 -18.335 183 HE21 GLN 4 2HE2 GLN 4 -8.711 -6.164 -18.749 184 HE22 GLN 4 1HE2 GLN 4 -9.800 -7.522 -18.468 185 H HIS 5 H HIS 5 -10.080 -3.522 -13.671 186 HA HIS 5 HA HIS 5 -8.109 -2.476 -11.714 187 HB2 HIS 5 1HB HIS 5 -10.487 -4.466 -11.550 188 HB3 HIS 5 2HB HIS 5 -9.454 -3.946 -10.186 189 HD1 HIS 5 HD1 HIS 5 -9.460 -1.299 -9.562 190 HD2 HIS 5 HD2 HIS 5 -12.617 -2.729 -11.922 191 HE1 HIS 5 HE1 HIS 5 -11.283 0.415 -9.438 192 HE2 HIS 5 HE2 HIS 5 -13.179 -0.421 -10.882 193 H LEU 6 H LEU 6 -6.089 -3.435 -12.301 194 HA LEU 6 HA LEU 6 -6.006 -6.391 -12.606 195 HB2 LEU 6 1HB LEU 6 -3.869 -4.228 -12.617 196 HB3 LEU 6 2HB LEU 6 -3.508 -5.940 -12.655 197 HG LEU 6 HG LEU 6 -3.308 -5.687 -14.848 198 HD11 LEU 6 1HD1 LEU 6 -5.479 -6.921 -14.759 199 HD12 LEU 6 2HD1 LEU 6 -5.244 -5.945 -16.241 200 HD13 LEU 6 3HD1 LEU 6 -6.317 -5.371 -14.957 201 HD21 LEU 6 3HD2 LEU 6 -3.341 -3.226 -14.571 202 HD22 LEU 6 1HD2 LEU 6 -5.096 -3.226 -14.784 203 HD23 LEU 6 2HD2 LEU 6 -4.079 -3.766 -16.122 204 H CYS 7 H CYS 7 -5.950 -7.684 -10.878 205 HA CYS 7 HA CYS 7 -4.597 -6.674 -8.430 206 HB2 CYS 7 1HB CYS 7 -7.043 -8.425 -8.575 207 HB3 CYS 7 2HB CYS 7 -6.269 -7.834 -7.138 208 H GLY 8 H GLY 8 -3.467 -8.311 -7.147 209 HA2 GLY 8 1HA GLY 8 -2.374 -10.304 -6.810 210 HA3 GLY 8 2HA GLY 8 -3.583 -11.052 -7.907 211 H SER 9 H SER 9 -2.201 -12.337 -9.052 212 HA SER 9 HA SER 9 0.277 -11.494 -10.145 213 HB2 SER 9 1HB SER 9 -0.446 -13.880 -9.856 214 HB3 SER 9 2HB SER 9 -1.597 -13.674 -11.189 215 HG SER 9 HG SER 9 0.404 -12.966 -12.382 216 H HIS 10 H HIS 10 -2.859 -10.505 -11.175 217 HA HIS 10 HA HIS 10 -2.343 -10.297 -13.989 218 HB2 HIS 10 1HB HIS 10 -4.198 -8.741 -12.178 219 HB3 HIS 10 2HB HIS 10 -4.085 -8.512 -13.915 220 HD1 HIS 10 HD1 HIS 10 -6.133 -9.458 -14.946 221 HD2 HIS 10 HD2 HIS 10 -4.465 -11.972 -12.007 222 HE1 HIS 10 HE1 HIS 10 -7.479 -11.604 -14.963 223 HE2 HIS 10 HE2 HIS 10 -6.451 -13.144 -13.199 224 H LEU 11 H LEU 11 -1.190 -8.547 -11.223 225 HA LEU 11 HA LEU 11 -0.569 -6.062 -12.584 226 HB2 LEU 11 1HB LEU 11 -0.072 -7.274 -10.009 227 HB3 LEU 11 2HB LEU 11 1.441 -6.710 -10.621 228 HG LEU 11 HG LEU 11 0.401 -5.152 -9.085 229 HD11 LEU 11 1HD1 LEU 11 0.762 -3.119 -10.413 230 HD12 LEU 11 2HD1 LEU 11 0.518 -4.025 -11.906 231 HD13 LEU 11 3HD1 LEU 11 1.942 -4.354 -10.906 232 HD21 LEU 11 3HD2 LEU 11 -1.753 -4.713 -11.146 233 HD22 LEU 11 1HD2 LEU 11 -1.565 -3.898 -9.581 234 HD23 LEU 11 2HD2 LEU 11 -1.956 -5.648 -9.688 235 H VAL 12 H VAL 12 1.429 -8.935 -11.779 236 HA VAL 12 HA VAL 12 3.664 -7.924 -13.258 237 HB VAL 12 HB VAL 12 4.697 -10.179 -12.971 238 HG11 VAL 12 1HG1 VAL 12 3.454 -9.158 -10.380 239 HG12 VAL 12 2HG1 VAL 12 4.965 -10.062 -10.565 240 HG13 VAL 12 3HG1 VAL 12 4.843 -8.417 -11.211 241 HG21 VAL 12 3HG2 VAL 12 2.122 -10.909 -11.474 242 HG22 VAL 12 1HG2 VAL 12 2.652 -11.594 -13.061 243 HG23 VAL 12 2HG2 VAL 12 3.575 -11.880 -11.589 244 H GLU 13 H GLU 13 0.979 -10.030 -14.152 245 HA GLU 13 HA GLU 13 1.962 -10.800 -16.715 246 HB2 GLU 13 1HB GLU 13 -0.800 -10.351 -15.617 247 HB3 GLU 13 2HB GLU 13 -0.522 -10.932 -17.271 248 HG2 GLU 13 1HG GLU 13 0.636 -12.916 -16.381 249 HG3 GLU 13 2HG GLU 13 0.400 -12.349 -14.708 250 HE2 GLU 13 HE2 GLU 13 -2.457 -14.184 -16.633 251 H ALA 14 H ALA 14 0.066 -7.939 -15.638 252 HA ALA 14 HA ALA 14 -0.278 -6.918 -18.320 253 HB1 ALA 14 3HB ALA 14 -0.369 -5.468 -15.609 254 HB2 ALA 14 1HB ALA 14 -0.984 -4.825 -17.173 255 HB3 ALA 14 2HB ALA 14 -1.740 -6.254 -16.457 256 H LEU 15 H LEU 15 2.125 -6.334 -15.726 257 HA LEU 15 HA LEU 15 3.536 -4.300 -17.125 258 HB2 LEU 15 1HB LEU 15 4.503 -6.238 -15.014 259 HB3 LEU 15 2HB LEU 15 5.433 -4.870 -15.621 260 HG LEU 15 HG LEU 15 2.753 -4.674 -14.199 261 HD11 LEU 15 1HD1 LEU 15 4.547 -5.275 -12.647 262 HD12 LEU 15 2HD1 LEU 15 3.968 -3.607 -12.414 263 HD13 LEU 15 3HD1 LEU 15 5.507 -3.902 -13.254 264 HD21 LEU 15 3HD2 LEU 15 2.944 -2.898 -15.784 265 HD22 LEU 15 1HD2 LEU 15 4.622 -2.552 -15.272 266 HD23 LEU 15 2HD2 LEU 15 3.264 -2.249 -14.168 267 H TYR 16 H TYR 16 3.847 -7.843 -17.116 268 HA TYR 16 HA TYR 16 6.190 -7.927 -18.784 269 HB2 TYR 16 1HB TYR 16 5.454 -9.941 -17.590 270 HB3 TYR 16 2HB TYR 16 3.876 -9.887 -18.383 271 HD1 TYR 16 HD1 TYR 16 7.522 -10.427 -19.036 272 HD2 TYR 16 HD2 TYR 16 3.484 -11.035 -20.425 273 HE1 TYR 16 HE1 TYR 16 8.358 -11.923 -20.865 274 HE2 TYR 16 HE2 TYR 16 4.326 -12.524 -22.221 275 HH TYR 16 HH TYR 16 6.180 -13.486 -23.220 276 H LEU 17 H LEU 17 2.680 -7.927 -19.608 277 HA LEU 17 HA LEU 17 3.190 -8.037 -22.397 278 HB2 LEU 17 1HB LEU 17 0.781 -7.078 -20.830 279 HB3 LEU 17 2HB LEU 17 0.827 -7.274 -22.575 280 HG LEU 17 HG LEU 17 1.195 -9.582 -20.673 281 HD11 LEU 17 1HD1 LEU 17 -1.140 -10.142 -21.293 282 HD12 LEU 17 2HD1 LEU 17 -1.278 -8.636 -22.226 283 HD13 LEU 17 3HD1 LEU 17 -1.055 -8.574 -20.445 284 HD21 LEU 17 3HD2 LEU 17 0.700 -9.409 -23.671 285 HD22 LEU 17 1HD2 LEU 17 0.731 -10.889 -22.695 286 HD23 LEU 17 2HD2 LEU 17 2.202 -9.951 -22.885 287 H VAL 18 H VAL 18 2.831 -5.208 -20.225 288 HA VAL 18 HA VAL 18 2.665 -3.401 -22.511 289 HB VAL 18 HB VAL 18 1.480 -3.149 -20.248 290 HG11 VAL 18 1HG1 VAL 18 2.517 -2.072 -18.491 291 HG12 VAL 18 2HG1 VAL 18 3.615 -3.399 -18.921 292 HG13 VAL 18 3HG1 VAL 18 3.973 -1.729 -19.408 293 HG21 VAL 18 3HG2 VAL 18 1.537 -0.703 -20.394 294 HG22 VAL 18 1HG2 VAL 18 2.994 -0.774 -21.398 295 HG23 VAL 18 2HG2 VAL 18 1.469 -1.440 -21.999 296 H CYS 19 H CYS 19 5.275 -4.386 -20.283 297 HA CYS 19 HA CYS 19 6.981 -2.210 -21.423 298 HB2 CYS 19 1HB CYS 19 7.602 -4.034 -19.082 299 HB3 CYS 19 2HB CYS 19 8.472 -2.593 -19.581 300 H GLY 20 H GLY 20 6.793 -5.765 -21.090 301 HA2 GLY 20 1HA GLY 20 7.858 -7.390 -22.331 302 HA3 GLY 20 2HA GLY 20 8.292 -6.112 -23.477 303 H GLU 21 H GLU 21 10.368 -6.035 -23.832 304 HA GLU 21 HA GLU 21 12.391 -7.174 -22.173 305 HB2 GLU 21 1HB GLU 21 13.928 -6.140 -23.713 306 HB3 GLU 21 2HB GLU 21 12.558 -6.829 -24.593 307 HG2 GLU 21 1HG GLU 21 11.555 -4.567 -24.778 308 HG3 GLU 21 2HG GLU 21 13.010 -3.877 -24.030 309 HE2 GLU 21 HE2 GLU 21 12.951 -4.471 -27.789 310 H ARG 22 H ARG 22 10.725 -4.201 -21.871 311 HA ARG 22 HA ARG 22 12.908 -2.972 -20.214 312 HB2 ARG 22 1HB ARG 22 10.246 -1.768 -20.993 313 HB3 ARG 22 2HB ARG 22 11.610 -0.934 -20.284 314 HG2 ARG 22 1HG ARG 22 12.848 -1.692 -22.465 315 HG3 ARG 22 2HG ARG 22 11.182 -1.958 -23.080 316 HD2 ARG 22 1HD ARG 22 11.850 0.285 -23.670 317 HD3 ARG 22 2HD ARG 22 10.679 0.430 -22.339 318 HE ARG 22 HE ARG 22 13.219 0.286 -21.183 319 HH11 ARG 22 1HH1 ARG 22 11.679 2.498 -23.427 320 HH12 ARG 22 2HH1 ARG 22 12.652 3.851 -22.910 321 HH21 ARG 22 1HH2 ARG 22 14.420 2.070 -20.551 322 HH22 ARG 22 2HH2 ARG 22 14.173 3.603 -21.316 323 H GLY 23 H GLY 23 11.377 -5.379 -19.543 324 HA2 GLY 23 1HA GLY 23 9.270 -5.044 -17.855 325 HA3 GLY 23 2HA GLY 23 10.479 -6.310 -17.710 326 H PHE 24 H PHE 24 9.027 -5.513 -15.602 327 HA PHE 24 HA PHE 24 10.335 -3.503 -13.992 328 HB2 PHE 24 1HB PHE 24 8.684 -4.247 -12.333 329 HB3 PHE 24 2HB PHE 24 7.919 -3.972 -13.898 330 HD1 PHE 24 HD1 PHE 24 7.335 -5.961 -15.394 331 HD2 PHE 24 HD2 PHE 24 8.558 -6.404 -11.276 332 HE1 PHE 24 HE1 PHE 24 6.474 -8.274 -15.388 333 HE2 PHE 24 HE2 PHE 24 7.634 -8.679 -11.257 334 HZ PHE 24 HZ PHE 24 6.648 -9.662 -13.342 335 H PHE 25 H PHE 25 11.166 -4.066 -11.865 336 HA PHE 25 HA PHE 25 12.813 -6.540 -11.983 337 HB2 PHE 25 1HB PHE 25 13.979 -4.394 -11.790 338 HB3 PHE 25 2HB PHE 25 13.090 -4.011 -10.352 339 HD1 PHE 25 HD2 PHE 25 15.645 -6.250 -11.815 340 HD2 PHE 25 HD1 PHE 25 13.718 -4.929 -8.170 341 HE1 PHE 25 HE2 PHE 25 17.407 -7.379 -10.456 342 HE2 PHE 25 HE1 PHE 25 15.484 -6.080 -6.828 343 HZ PHE 25 HZ PHE 25 17.326 -7.312 -7.946 344 H NVA 26 H ARX 26 11.816 -8.142 -11.067 345 HA NVA 26 HA ARX 26 10.189 -7.880 -8.571 346 HB2 NVA 26 1HB ARX 26 9.507 -9.301 -10.619 347 HB3 NVA 26 2HB ARX 26 10.727 -10.431 -10.201 348 HG2 NVA 26 1HG ARX 26 9.595 -10.822 -7.968 349 HG3 NVA 26 2HG ARX 26 8.483 -9.505 -8.351 350 HD2 NVA 26 1HD ARX 26 7.160 -11.376 -8.921 351 HD3 NVA 26 2HD ARX 26 7.824 -10.895 -10.495 352 H THR 27 H THR 27 12.883 -9.590 -9.763 353 HA THR 27 HA THR 27 15.025 -10.103 -8.771 354 HB THR 27 HB THR 27 15.028 -11.330 -6.637 355 HG1 THR 27 HG1 THR 27 12.394 -10.373 -6.337 356 HG21 THR 27 1HG2 THR 27 14.908 -9.427 -5.133 357 HG22 THR 27 2HG2 THR 27 14.003 -8.526 -6.348 358 HG23 THR 27 3HG2 THR 27 15.691 -8.974 -6.669 359 HA PRO 28 HA PRO 28 13.658 -13.797 -10.671 360 HB2 PRO 28 1HB PRO 28 15.579 -15.666 -10.220 361 HB3 PRO 28 2HB PRO 28 15.859 -14.261 -11.303 362 HG2 PRO 28 1HG PRO 28 16.663 -14.594 -8.425 363 HG3 PRO 28 2HG PRO 28 17.649 -14.060 -9.822 364 HD2 PRO 28 1HD PRO 28 16.521 -12.270 -8.117 365 HD3 PRO 28 2HD PRO 28 16.595 -11.942 -9.881 366 H HIX 29 H HIX 29 11.826 -14.501 -9.783 367 HA HIX 29 HA HIX 29 11.046 -15.265 -7.312 368 HB1 HIX 29 1HB HIX 29 10.093 -16.696 -9.830 369 HB2 HIX 29 2HB HIX 29 9.196 -16.500 -8.353 370 HD2 HIX 29 HD2 HIX 29 9.349 -13.345 -7.738 371 HD1 HIX 29 HD1 HIX 29 8.996 -15.042 -11.592 372 H THR 30 H THR 30 11.811 -16.500 -5.871 373 HA THR 30 HA THR 30 12.632 -19.298 -6.401 374 HB THR 30 HB THR 30 14.585 -18.613 -4.637 375 HG1 THR 30 HG1 THR 30 14.352 -16.302 -6.338 376 HG21 THR 30 1HG2 THR 30 15.159 -19.644 -6.823 377 HG22 THR 30 2HG2 THR 30 16.107 -18.177 -6.678 378 HG23 THR 30 3HG2 THR 30 14.648 -18.190 -7.694 379 HXT THR 30 H02 THR 30 11.156 -18.196 -3.026 Start of MODEL 13 1 H1 GLY 1 2H0 GLY 1 1.454 3.068 -1.156 2 H2 GLY 1 1H0 GLY 1 2.411 2.105 -0.254 3 HA2 GLY 1 1HA GLY 1 1.660 0.095 -1.463 4 HA3 GLY 1 2HA GLY 1 0.320 0.972 -0.734 5 H ILE 2 H ILE 2 2.201 0.725 -3.763 6 HA ILE 2 HA ILE 2 0.069 1.937 -5.293 7 HB ILE 2 HB ILE 2 2.617 1.922 -5.798 8 HG12 ILE 2 1HG1 ILE 2 2.246 1.917 -8.295 9 HG13 ILE 2 2HG1 ILE 2 0.579 1.371 -8.012 10 HG21 ILE 2 1HG2 ILE 2 3.507 0.146 -7.161 11 HG22 ILE 2 2HG2 ILE 2 2.926 -0.548 -5.622 12 HG23 ILE 2 3HG2 ILE 2 1.947 -0.759 -7.106 13 HD11 ILE 2 3HD1 ILE 2 0.092 3.485 -6.804 14 HD12 ILE 2 1HD1 ILE 2 1.787 3.988 -6.948 15 HD13 ILE 2 2HD1 ILE 2 0.762 3.858 -8.389 16 H VAL 3 H VAL 3 0.795 -1.386 -4.423 17 HA VAL 3 HA VAL 3 -0.672 -2.625 -6.534 18 HB VAL 3 HB VAL 3 -0.212 -3.580 -3.669 19 HG11 VAL 3 1HG1 VAL 3 -0.652 -5.902 -4.663 20 HG12 VAL 3 2HG1 VAL 3 -2.113 -4.843 -4.618 21 HG13 VAL 3 3HG1 VAL 3 -1.234 -5.089 -6.134 22 HG21 VAL 3 3HG2 VAL 3 1.887 -3.223 -4.923 23 HG22 VAL 3 1HG2 VAL 3 1.603 -4.940 -4.638 24 HG23 VAL 3 2HG2 VAL 3 1.273 -4.230 -6.236 25 H GLU 4 H GLU 4 -1.719 -1.507 -3.295 26 HA GLU 4 HA GLU 4 -4.374 -2.471 -3.692 27 HB2 GLU 4 1HB GLU 4 -5.043 -1.347 -1.828 28 HB3 GLU 4 2HB GLU 4 -3.354 -1.775 -1.470 29 HG2 GLU 4 1HG GLU 4 -2.729 0.556 -1.986 30 HG3 GLU 4 2HG GLU 4 -4.414 0.951 -2.308 31 HE2 GLU 4 HE2 GLU 4 -5.760 0.192 -0.595 32 H GLN 5 H GLN 5 -2.803 0.530 -4.752 33 HA GLN 5 HA GLN 5 -5.295 1.843 -5.463 34 HB2 GLN 5 1HB GLN 5 -2.442 2.251 -6.424 35 HB3 GLN 5 2HB GLN 5 -3.791 3.292 -6.840 36 HG2 GLN 5 1HG GLN 5 -4.119 3.846 -4.432 37 HG3 GLN 5 2HG GLN 5 -2.737 2.832 -4.016 38 HE21 GLN 5 2HE2 GLN 5 -1.030 4.015 -3.526 39 HE22 GLN 5 1HE2 GLN 5 -0.548 5.461 -4.403 40 H CYS 6 H CYS 6 -2.861 -0.095 -7.277 41 HA CYS 6 HA CYS 6 -4.149 0.145 -9.815 42 HB2 CYS 6 1HB CYS 6 -1.752 -0.605 -9.179 43 HB3 CYS 6 2HB CYS 6 -2.476 -2.205 -8.858 44 H CYS 7 H CYS 7 -4.694 -1.877 -6.967 45 HA CYS 7 HA CYS 7 -6.483 -3.729 -8.350 46 HB2 CYS 7 1HB CYS 7 -5.051 -4.185 -6.297 47 HB3 CYS 7 2HB CYS 7 -6.181 -3.225 -5.377 48 H THR 8 H THR 8 -6.991 -1.059 -5.926 49 HA THR 8 HA THR 8 -9.874 -1.434 -6.066 50 HB THR 8 HB THR 8 -8.650 -0.526 -4.047 51 HG1 THR 8 HG1 THR 8 -10.968 -0.298 -4.512 52 HG21 THR 8 1HG2 THR 8 -7.296 1.219 -5.345 53 HG22 THR 8 2HG2 THR 8 -8.139 1.791 -3.903 54 HG23 THR 8 3HG2 THR 8 -8.836 2.109 -5.499 55 H SER 9 H SER 9 -7.642 0.643 -7.775 56 HA SER 9 HA SER 9 -10.001 1.888 -9.147 57 HB2 SER 9 1HB SER 9 -8.342 3.356 -7.868 58 HB3 SER 9 2HB SER 9 -7.160 2.971 -9.150 59 HG SER 9 HG SER 9 -8.527 4.904 -9.514 60 H ILE 10 H ILE 10 -9.102 2.712 -11.449 61 HA ILE 10 HA ILE 10 -8.480 0.127 -12.825 62 HB ILE 10 HB ILE 10 -9.426 2.884 -13.711 63 HG12 ILE 10 1HG1 ILE 10 -11.074 1.251 -12.705 64 HG13 ILE 10 2HG1 ILE 10 -11.441 1.825 -14.325 65 HG21 ILE 10 1HG2 ILE 10 -8.493 0.537 -15.411 66 HG22 ILE 10 2HG2 ILE 10 -9.559 1.850 -16.026 67 HG23 ILE 10 3HG2 ILE 10 -7.917 2.225 -15.484 68 HD11 ILE 10 3HD1 ILE 10 -10.807 -0.271 -15.374 69 HD12 ILE 10 1HD1 ILE 10 -10.197 -0.887 -13.762 70 HD13 ILE 10 2HD1 ILE 10 -11.960 -0.618 -14.050 71 H CYS 11 H CYS 11 -6.505 -0.320 -13.654 72 HA CYS 11 HA CYS 11 -4.405 1.760 -13.400 73 HB2 CYS 11 1HB CYS 11 -4.596 -1.063 -13.026 74 HB3 CYS 11 2HB CYS 11 -3.396 -0.754 -14.288 75 H SER 12 H SER 12 -3.914 2.968 -15.065 76 HA SER 12 HA SER 12 -4.592 2.083 -17.784 77 HB2 SER 12 1HB SER 12 -3.142 4.617 -16.964 78 HB3 SER 12 2HB SER 12 -4.166 4.350 -18.399 79 HG SER 12 HG SER 12 -5.371 5.462 -16.894 80 H LEU 13 H LEU 13 -3.011 2.225 -19.522 81 HA LEU 13 HA LEU 13 -0.756 0.660 -19.012 82 HB2 LEU 13 1HB LEU 13 -0.717 0.422 -21.151 83 HB3 LEU 13 2HB LEU 13 -2.188 1.342 -21.128 84 HG LEU 13 HG LEU 13 -0.527 3.407 -21.574 85 HD11 LEU 13 1HD1 LEU 13 0.831 0.928 -22.694 86 HD12 LEU 13 2HD1 LEU 13 1.491 1.990 -21.463 87 HD13 LEU 13 3HD1 LEU 13 1.286 2.636 -23.063 88 HD21 LEU 13 3HD2 LEU 13 -0.977 3.047 -23.980 89 HD22 LEU 13 1HD2 LEU 13 -2.407 2.657 -22.986 90 HD23 LEU 13 2HD2 LEU 13 -1.416 1.342 -23.615 91 H TYR 14 H TYR 14 -1.007 4.222 -19.164 92 HA TYR 14 HA TYR 14 1.777 4.736 -19.316 93 HB2 TYR 14 1HB TYR 14 -0.189 6.467 -17.765 94 HB3 TYR 14 2HB TYR 14 1.186 6.978 -18.781 95 HD1 TYR 14 HD1 TYR 14 0.928 6.666 -21.351 96 HD2 TYR 14 HD2 TYR 14 -2.363 6.299 -18.610 97 HE1 TYR 14 HE1 TYR 14 -0.652 7.041 -23.204 98 HE2 TYR 14 HE2 TYR 14 -3.963 6.655 -20.516 99 HH TYR 14 HH TYR 14 -2.769 7.251 -23.843 100 H GLN 15 H GLN 15 -0.448 4.120 -16.643 101 HA GLN 15 HA GLN 15 1.409 4.694 -14.538 102 HB2 GLN 15 1HB GLN 15 -0.907 2.787 -14.412 103 HB3 GLN 15 2HB GLN 15 -0.130 3.578 -13.081 104 HG2 GLN 15 1HG GLN 15 -0.985 5.633 -14.821 105 HG3 GLN 15 2HG GLN 15 -2.312 4.484 -14.762 106 HE21 GLN 15 2HE2 GLN 15 -3.125 3.869 -12.622 107 HE22 GLN 15 1HE2 GLN 15 -3.030 5.028 -11.327 108 H LEU 16 H LEU 16 0.438 1.755 -16.326 109 HA LEU 16 HA LEU 16 2.024 -0.004 -14.749 110 HB2 LEU 16 1HB LEU 16 0.989 -0.154 -17.590 111 HB3 LEU 16 2HB LEU 16 1.817 -1.497 -16.798 112 HG LEU 16 HG LEU 16 -0.725 -0.217 -15.769 113 HD11 LEU 16 1HD1 LEU 16 -0.203 -2.705 -17.445 114 HD12 LEU 16 2HD1 LEU 16 -1.089 -1.244 -17.914 115 HD13 LEU 16 3HD1 LEU 16 -1.759 -2.315 -16.691 116 HD21 LEU 16 3HD2 LEU 16 0.639 -1.355 -14.019 117 HD22 LEU 16 1HD2 LEU 16 0.526 -2.843 -14.982 118 HD23 LEU 16 2HD2 LEU 16 -0.951 -2.082 -14.327 119 H GLU 17 H GLU 17 2.793 1.628 -17.863 120 HA GLU 17 HA GLU 17 5.431 0.485 -17.976 121 HB2 GLU 17 1HB GLU 17 5.864 1.922 -19.789 122 HB3 GLU 17 2HB GLU 17 4.224 1.349 -19.943 123 HG2 GLU 17 1HG GLU 17 3.757 3.443 -20.439 124 HG3 GLU 17 2HG GLU 17 3.820 3.686 -18.709 125 HE2 GLU 17 HE2 GLU 17 4.917 5.275 -18.193 126 H ASN 18 H ASN 18 4.126 3.260 -16.262 127 HA ASN 18 HA ASN 18 6.685 4.480 -15.658 128 HB2 ASN 18 1HB ASN 18 4.018 4.452 -14.248 129 HB3 ASN 18 2HB ASN 18 5.415 5.243 -13.539 130 HD21 ASN 18 2HD2 ASN 18 3.391 6.839 -13.893 131 HD22 ASN 18 1HD2 ASN 18 3.600 7.857 -15.282 132 H TYR 19 H TYR 19 5.167 1.539 -14.563 133 HA TYR 19 HA TYR 19 6.914 1.415 -12.126 134 HB2 TYR 19 1HB TYR 19 5.147 -0.810 -13.233 135 HB3 TYR 19 2HB TYR 19 5.790 -0.652 -11.607 136 HD1 TYR 19 HD2 TYR 19 4.893 2.458 -11.482 137 HD2 TYR 19 HD1 TYR 19 2.925 -1.244 -12.352 138 HE1 TYR 19 HE2 TYR 19 2.723 3.433 -10.750 139 HE2 TYR 19 HE1 TYR 19 0.725 -0.283 -11.625 140 HH TYR 19 HH TYR 19 0.461 2.994 -10.407 141 H CYS 20 H CYS 20 7.233 0.958 -15.378 142 HA CYS 20 HA CYS 20 8.691 -1.559 -15.421 143 HB2 CYS 20 1HB CYS 20 7.361 -0.375 -17.277 144 HB3 CYS 20 2HB CYS 20 8.836 0.584 -17.527 145 H ASN 21 H ASN 21 10.932 -1.608 -16.145 146 HA ASN 21 HA ASN 21 12.487 0.625 -14.859 147 HB2 ASN 21 1HB ASN 21 12.781 -1.805 -13.984 148 HB3 ASN 21 2HB ASN 21 13.710 -2.112 -15.465 149 HD21 ASN 21 2HD2 ASN 21 13.981 -1.227 -12.332 150 HD22 ASN 21 1HD2 ASN 21 15.416 -0.247 -12.421 151 HXT ASN 21 H02 ASN 21 12.855 1.860 -16.114 152 H1 PHE 1 2H0 PHE 1 -3.998 -2.391 -26.631 153 H2 PHE 1 1H0 PHE 1 -5.681 -2.293 -26.526 154 HA PHE 1 HA PHE 1 -4.381 -3.016 -24.430 155 HB2 PHE 1 1HB PHE 1 -2.826 -1.057 -24.654 156 HB3 PHE 1 2HB PHE 1 -4.154 0.026 -24.443 157 HD1 PHE 1 HD2 PHE 1 -1.906 -2.424 -22.852 158 HD2 PHE 1 HD1 PHE 1 -5.192 0.304 -22.184 159 HE1 PHE 1 HE2 PHE 1 -1.540 -2.597 -20.408 160 HE2 PHE 1 HE1 PHE 1 -4.804 0.142 -19.755 161 HZ PHE 1 HZ PHE 1 -3.029 -1.316 -18.856 162 H VAL 2 H VAL 2 -5.597 -3.199 -22.639 163 HA VAL 2 HA VAL 2 -8.114 -1.602 -22.520 164 HB VAL 2 HB VAL 2 -8.741 -3.816 -23.393 165 HG11 VAL 2 1HG1 VAL 2 -7.558 -5.005 -20.857 166 HG12 VAL 2 2HG1 VAL 2 -8.455 -5.892 -22.128 167 HG13 VAL 2 3HG1 VAL 2 -6.863 -5.178 -22.511 168 HG21 VAL 2 3HG2 VAL 2 -9.610 -3.171 -20.559 169 HG22 VAL 2 1HG2 VAL 2 -10.429 -2.813 -22.090 170 HG23 VAL 2 2HG2 VAL 2 -10.371 -4.488 -21.495 171 H ASN 3 H ASN 3 -8.353 -0.542 -20.703 172 HA ASN 3 HA ASN 3 -6.352 -0.963 -18.578 173 HB2 ASN 3 1HB ASN 3 -7.425 1.170 -17.696 174 HB3 ASN 3 2HB ASN 3 -6.638 1.323 -19.270 175 HD21 ASN 3 2HD2 ASN 3 -9.363 2.223 -17.622 176 HD22 ASN 3 1HD2 ASN 3 -10.414 2.492 -18.989 177 H GLN 4 H GLN 4 -6.696 -2.055 -16.714 178 HA GLN 4 HA GLN 4 -9.547 -2.522 -15.891 179 HB2 GLN 4 1HB GLN 4 -7.422 -4.657 -16.196 180 HB3 GLN 4 2HB GLN 4 -9.037 -4.917 -15.527 181 HG2 GLN 4 1HG GLN 4 -9.920 -4.167 -17.801 182 HG3 GLN 4 2HG GLN 4 -8.246 -4.325 -18.411 183 HE21 GLN 4 2HE2 GLN 4 -7.354 -6.350 -18.668 184 HE22 GLN 4 1HE2 GLN 4 -8.280 -7.820 -18.521 185 H HIS 5 H HIS 5 -9.629 -3.726 -13.754 186 HA HIS 5 HA HIS 5 -7.851 -2.518 -11.744 187 HB2 HIS 5 1HB HIS 5 -10.087 -4.629 -11.673 188 HB3 HIS 5 2HB HIS 5 -9.223 -4.070 -10.224 189 HD1 HIS 5 HD1 HIS 5 -9.511 -1.481 -9.566 190 HD2 HIS 5 HD2 HIS 5 -12.244 -2.962 -12.400 191 HE1 HIS 5 HE1 HIS 5 -11.434 0.181 -9.693 192 HE2 HIS 5 HE2 HIS 5 -13.071 -0.751 -11.380 193 H LEU 6 H LEU 6 -6.083 -3.554 -10.897 194 HA LEU 6 HA LEU 6 -5.650 -6.434 -11.664 195 HB2 LEU 6 1HB LEU 6 -3.548 -4.254 -11.611 196 HB3 LEU 6 2HB LEU 6 -3.304 -5.918 -12.137 197 HG LEU 6 HG LEU 6 -4.929 -3.793 -13.583 198 HD11 LEU 6 1HD1 LEU 6 -2.505 -3.406 -13.475 199 HD12 LEU 6 2HD1 LEU 6 -3.030 -3.748 -15.118 200 HD13 LEU 6 3HD1 LEU 6 -2.196 -5.029 -14.145 201 HD21 LEU 6 3HD2 LEU 6 -4.002 -6.458 -14.728 202 HD22 LEU 6 1HD2 LEU 6 -5.023 -5.255 -15.488 203 HD23 LEU 6 2HD2 LEU 6 -5.665 -6.166 -14.099 204 H CYS 7 H CYS 7 -5.149 -7.688 -9.843 205 HA CYS 7 HA CYS 7 -4.126 -6.177 -7.473 206 HB2 CYS 7 1HB CYS 7 -6.503 -7.617 -7.700 207 HB3 CYS 7 2HB CYS 7 -5.442 -8.732 -6.858 208 H GLY 8 H GLY 8 -4.310 -9.683 -8.346 209 HA2 GLY 8 1HA GLY 8 -1.650 -10.045 -7.177 210 HA3 GLY 8 2HA GLY 8 -2.783 -11.315 -7.606 211 H SER 9 H SER 9 -2.123 -12.560 -9.195 212 HA SER 9 HA SER 9 0.106 -12.153 -10.789 213 HB2 SER 9 1HB SER 9 -2.248 -13.697 -11.828 214 HB3 SER 9 2HB SER 9 -0.516 -14.147 -11.854 215 HG SER 9 HG SER 9 -0.773 -15.047 -9.996 216 H HIS 10 H HIS 10 -3.025 -10.768 -11.313 217 HA HIS 10 HA HIS 10 -2.820 -10.289 -14.163 218 HB2 HIS 10 1HB HIS 10 -4.435 -9.342 -11.848 219 HB3 HIS 10 2HB HIS 10 -4.157 -8.091 -13.073 220 HD1 HIS 10 HD1 HIS 10 -5.578 -8.215 -15.177 221 HD2 HIS 10 HD2 HIS 10 -5.713 -11.753 -12.921 222 HE1 HIS 10 HE1 HIS 10 -7.366 -9.699 -16.250 223 HE2 HIS 10 HE2 HIS 10 -7.432 -11.830 -14.858 224 H LEU 11 H LEU 11 -1.371 -8.608 -11.337 225 HA LEU 11 HA LEU 11 -0.777 -6.210 -12.821 226 HB2 LEU 11 1HB LEU 11 -0.533 -7.174 -10.156 227 HB3 LEU 11 2HB LEU 11 1.079 -6.649 -10.637 228 HG LEU 11 HG LEU 11 -1.260 -4.832 -11.133 229 HD11 LEU 11 1HD1 LEU 11 0.040 -5.253 -8.433 230 HD12 LEU 11 2HD1 LEU 11 -1.655 -5.564 -8.887 231 HD13 LEU 11 3HD1 LEU 11 -1.019 -3.929 -8.873 232 HD21 LEU 11 3HD2 LEU 11 0.405 -3.065 -10.646 233 HD22 LEU 11 1HD2 LEU 11 1.021 -4.173 -11.917 234 HD23 LEU 11 2HD2 LEU 11 1.640 -4.301 -10.256 235 H VAL 12 H VAL 12 1.217 -9.018 -11.851 236 HA VAL 12 HA VAL 12 3.570 -8.145 -13.240 237 HB VAL 12 HB VAL 12 4.057 -9.788 -11.609 238 HG11 VAL 12 1HG1 VAL 12 1.732 -10.683 -11.334 239 HG12 VAL 12 2HG1 VAL 12 1.938 -11.610 -12.844 240 HG13 VAL 12 3HG1 VAL 12 2.933 -11.969 -11.427 241 HG21 VAL 12 3HG2 VAL 12 5.046 -11.700 -12.776 242 HG22 VAL 12 1HG2 VAL 12 4.045 -11.452 -14.184 243 HG23 VAL 12 2HG2 VAL 12 5.278 -10.239 -13.792 244 H GLU 13 H GLU 13 0.860 -10.161 -14.294 245 HA GLU 13 HA GLU 13 1.925 -10.717 -16.887 246 HB2 GLU 13 1HB GLU 13 -0.885 -10.427 -15.801 247 HB3 GLU 13 2HB GLU 13 -0.583 -10.790 -17.489 248 HG2 GLU 13 1HG GLU 13 0.546 -12.866 -16.971 249 HG3 GLU 13 2HG GLU 13 0.469 -12.515 -15.248 250 HE2 GLU 13 HE2 GLU 13 -0.377 -14.657 -15.930 251 H ALA 14 H ALA 14 -0.049 -7.909 -15.736 252 HA ALA 14 HA ALA 14 -0.246 -6.773 -18.364 253 HB1 ALA 14 3HB ALA 14 -0.988 -4.777 -17.165 254 HB2 ALA 14 1HB ALA 14 -1.777 -6.214 -16.496 255 HB3 ALA 14 2HB ALA 14 -0.433 -5.462 -15.629 256 H LEU 15 H LEU 15 2.137 -6.451 -15.745 257 HA LEU 15 HA LEU 15 3.542 -4.242 -17.004 258 HB2 LEU 15 1HB LEU 15 4.489 -6.280 -14.966 259 HB3 LEU 15 2HB LEU 15 5.397 -4.892 -15.497 260 HG LEU 15 HG LEU 15 2.737 -4.721 -14.041 261 HD11 LEU 15 1HD1 LEU 15 4.541 -5.524 -12.616 262 HD12 LEU 15 2HD1 LEU 15 4.066 -3.868 -12.157 263 HD13 LEU 15 3HD1 LEU 15 5.554 -4.123 -13.106 264 HD21 LEU 15 3HD2 LEU 15 3.017 -2.874 -15.583 265 HD22 LEU 15 1HD2 LEU 15 4.673 -2.603 -14.991 266 HD23 LEU 15 2HD2 LEU 15 3.279 -2.319 -13.953 267 H TYR 16 H TYR 16 3.808 -7.808 -17.140 268 HA TYR 16 HA TYR 16 6.148 -7.912 -18.788 269 HB2 TYR 16 1HB TYR 16 5.343 -9.921 -17.768 270 HB3 TYR 16 2HB TYR 16 3.758 -9.727 -18.470 271 HD1 TYR 16 HD2 TYR 16 7.315 -10.364 -19.415 272 HD2 TYR 16 HD1 TYR 16 3.152 -10.687 -20.520 273 HE1 TYR 16 HE2 TYR 16 7.947 -11.763 -21.414 274 HE2 TYR 16 HE1 TYR 16 3.798 -12.052 -22.486 275 HH TYR 16 HH TYR 16 5.465 -13.135 -23.607 276 H LEU 17 H LEU 17 2.642 -7.614 -19.558 277 HA LEU 17 HA LEU 17 3.045 -7.712 -22.385 278 HB2 LEU 17 1HB LEU 17 0.850 -6.580 -20.656 279 HB3 LEU 17 2HB LEU 17 0.722 -6.521 -22.415 280 HG LEU 17 HG LEU 17 1.170 -9.093 -20.856 281 HD11 LEU 17 1HD1 LEU 17 -0.951 -8.054 -20.120 282 HD12 LEU 17 2HD1 LEU 17 -1.281 -9.466 -21.125 283 HD13 LEU 17 3HD1 LEU 17 -1.456 -7.837 -21.808 284 HD21 LEU 17 3HD2 LEU 17 0.234 -10.121 -22.953 285 HD22 LEU 17 1HD2 LEU 17 1.762 -9.213 -23.222 286 HD23 LEU 17 2HD2 LEU 17 0.206 -8.512 -23.694 287 H VAL 18 H VAL 18 2.899 -4.872 -20.146 288 HA VAL 18 HA VAL 18 3.127 -3.071 -22.381 289 HB VAL 18 HB VAL 18 2.036 -2.683 -19.978 290 HG11 VAL 18 1HG1 VAL 18 3.380 -1.548 -18.359 291 HG12 VAL 18 2HG1 VAL 18 4.234 -3.035 -18.742 292 HG13 VAL 18 3HG1 VAL 18 4.767 -1.508 -19.420 293 HG21 VAL 18 3HG2 VAL 18 3.627 -0.517 -21.367 294 HG22 VAL 18 1HG2 VAL 18 2.024 -1.098 -21.849 295 HG23 VAL 18 2HG2 VAL 18 2.235 -0.290 -20.272 296 H CYS 19 H CYS 19 5.514 -4.591 -20.251 297 HA CYS 19 HA CYS 19 7.623 -2.726 -21.160 298 HB2 CYS 19 1HB CYS 19 7.691 -5.164 -19.350 299 HB3 CYS 19 2HB CYS 19 9.114 -4.184 -19.718 300 H GLY 20 H GLY 20 6.229 -5.713 -22.142 301 HA2 GLY 20 1HA GLY 20 6.885 -7.213 -23.753 302 HA3 GLY 20 2HA GLY 20 7.991 -5.947 -24.364 303 H GLU 21 H GLU 21 9.904 -6.792 -24.583 304 HA GLU 21 HA GLU 21 10.906 -8.991 -23.045 305 HB2 GLU 21 1HB GLU 21 12.274 -6.972 -24.842 306 HB3 GLU 21 2HB GLU 21 13.010 -8.478 -24.270 307 HG2 GLU 21 1HG GLU 21 11.888 -9.761 -25.766 308 HG3 GLU 21 2HG GLU 21 10.408 -8.782 -25.679 309 HE2 GLU 21 HE2 GLU 21 10.020 -8.262 -27.498 310 H ARG 22 H ARG 22 10.826 -5.616 -22.188 311 HA ARG 22 HA ARG 22 13.423 -5.600 -20.809 312 HB2 ARG 22 1HB ARG 22 10.958 -3.859 -20.739 313 HB3 ARG 22 2HB ARG 22 12.322 -3.594 -19.610 314 HG2 ARG 22 1HG ARG 22 12.588 -3.568 -22.639 315 HG3 ARG 22 2HG ARG 22 12.305 -2.121 -21.664 316 HD2 ARG 22 1HD ARG 22 14.704 -4.021 -21.360 317 HD3 ARG 22 2HD ARG 22 14.745 -2.430 -22.163 318 HE ARG 22 HE ARG 22 13.856 -1.738 -19.684 319 HH11 ARG 22 1HH1 ARG 22 16.563 -3.857 -20.586 320 HH12 ARG 22 2HH1 ARG 22 17.487 -3.398 -19.205 321 HH21 ARG 22 1HH2 ARG 22 15.110 -1.197 -17.982 322 HH22 ARG 22 2HH2 ARG 22 16.677 -1.903 -17.741 323 H GLY 23 H GLY 23 10.110 -6.404 -19.844 324 HA2 GLY 23 1HA GLY 23 9.357 -7.323 -17.857 325 HA3 GLY 23 2HA GLY 23 11.046 -7.690 -17.404 326 H PHE 24 H PHE 24 10.283 -6.968 -15.235 327 HA PHE 24 HA PHE 24 10.761 -4.072 -14.945 328 HB2 PHE 24 1HB PHE 24 8.790 -3.817 -13.413 329 HB3 PHE 24 2HB PHE 24 8.295 -4.283 -15.057 330 HD1 PHE 24 HD2 PHE 24 7.444 -6.567 -15.522 331 HD2 PHE 24 HD1 PHE 24 8.475 -5.323 -11.556 332 HE1 PHE 24 HE2 PHE 24 6.248 -8.514 -14.618 333 HE2 PHE 24 HE1 PHE 24 7.270 -7.268 -10.627 334 HZ PHE 24 HZ PHE 24 6.131 -8.879 -12.136 335 H PHE 25 H PHE 25 10.873 -3.722 -12.340 336 HA PHE 25 HA PHE 25 12.340 -6.089 -11.333 337 HB2 PHE 25 1HB PHE 25 13.749 -4.139 -11.990 338 HB3 PHE 25 2HB PHE 25 12.906 -3.151 -10.791 339 HD1 PHE 25 HD1 PHE 25 15.052 -6.211 -11.194 340 HD2 PHE 25 HD2 PHE 25 13.597 -3.195 -8.480 341 HE1 PHE 25 HE1 PHE 25 16.745 -6.936 -9.477 342 HE2 PHE 25 HE2 PHE 25 15.256 -3.894 -6.804 343 HZ PHE 25 HZ PHE 25 16.850 -5.741 -7.300 344 H NVA 26 H ARX 26 11.385 -7.036 -9.779 345 HA NVA 26 HA ARX 26 9.865 -5.551 -7.654 346 HB2 NVA 26 1HB ARX 26 8.592 -7.692 -7.317 347 HB3 NVA 26 2HB ARX 26 8.271 -6.959 -8.882 348 HG2 NVA 26 1HG ARX 26 9.657 -8.578 -10.037 349 HG3 NVA 26 2HG ARX 26 10.333 -9.217 -8.574 350 HD2 NVA 26 1HD ARX 26 7.440 -9.485 -8.486 351 HD3 NVA 26 2HD ARX 26 8.048 -10.120 -9.956 352 H THR 27 H THR 27 12.707 -6.451 -8.017 353 HA THR 27 HA THR 27 14.547 -7.102 -6.906 354 HB THR 27 HB THR 27 14.642 -7.537 -4.603 355 HG1 THR 27 HG1 THR 27 11.863 -8.094 -4.764 356 HG21 THR 27 1HG2 THR 27 13.512 -5.758 -3.529 357 HG22 THR 27 2HG2 THR 27 12.294 -5.675 -4.808 358 HG23 THR 27 3HG2 THR 27 13.976 -5.192 -5.168 359 HA PRO 28 HA PRO 28 14.324 -11.206 -8.132 360 HB2 PRO 28 1HB PRO 28 16.208 -12.680 -6.859 361 HB3 PRO 28 2HB PRO 28 16.609 -11.385 -8.029 362 HG2 PRO 28 1HG PRO 28 16.500 -11.230 -5.012 363 HG3 PRO 28 2HG PRO 28 17.820 -10.726 -6.096 364 HD2 PRO 28 1HD PRO 28 16.045 -8.934 -5.173 365 HD3 PRO 28 2HD PRO 28 16.672 -8.841 -6.852 366 H HIX 29 H HIX 29 12.634 -12.452 -7.842 367 HA HIX 29 HA HIX 29 11.341 -13.207 -5.430 368 HB1 HIX 29 1HB HIX 29 11.178 -14.266 -8.303 369 HB2 HIX 29 2HB HIX 29 10.168 -14.898 -7.011 370 HD2 HIX 29 HD2 HIX 29 10.587 -11.639 -9.226 371 HD1 HIX 29 HD1 HIX 29 8.195 -13.181 -6.072 372 H THR 30 H THR 30 11.291 -14.899 -4.281 373 HA THR 30 HA THR 30 13.261 -16.349 -3.343 374 HB THR 30 HB THR 30 10.851 -18.058 -3.630 375 HG1 THR 30 HG1 THR 30 9.777 -16.388 -2.278 376 HG21 THR 30 1HG2 THR 30 12.200 -16.699 -1.217 377 HG22 THR 30 2HG2 THR 30 12.656 -18.312 -1.784 378 HG23 THR 30 3HG2 THR 30 11.053 -18.059 -1.129 379 HXT THR 30 H02 THR 30 12.021 -17.161 -6.217 Start of MODEL 14 1 H1 GLY 1 2H0 GLY 1 -0.904 1.280 -0.477 2 H2 GLY 1 1H0 GLY 1 -1.303 -0.273 -0.072 3 HA2 GLY 1 1HA GLY 1 1.300 0.618 -1.292 4 HA3 GLY 1 2HA GLY 1 0.760 -1.107 -1.217 5 H ILE 2 H ILE 2 1.839 -0.304 -3.439 6 HA ILE 2 HA ILE 2 0.010 1.113 -5.196 7 HB ILE 2 HB ILE 2 2.528 0.989 -5.408 8 HG12 ILE 2 1HG1 ILE 2 2.485 0.922 -7.928 9 HG13 ILE 2 2HG1 ILE 2 0.792 0.483 -7.816 10 HG21 ILE 2 1HG2 ILE 2 3.550 -0.824 -6.698 11 HG22 ILE 2 2HG2 ILE 2 2.775 -1.507 -5.221 12 HG23 ILE 2 3HG2 ILE 2 1.937 -1.664 -6.800 13 HD11 ILE 2 3HD1 ILE 2 1.191 2.908 -8.194 14 HD12 ILE 2 1HD1 ILE 2 0.349 2.644 -6.627 15 HD13 ILE 2 2HD1 ILE 2 2.117 2.973 -6.633 16 H VAL 3 H VAL 3 0.439 -2.300 -4.465 17 HA VAL 3 HA VAL 3 -1.013 -3.431 -6.693 18 HB VAL 3 HB VAL 3 -0.533 -4.399 -3.824 19 HG11 VAL 3 1HG1 VAL 3 -1.711 -5.865 -6.131 20 HG12 VAL 3 2HG1 VAL 3 -1.127 -6.670 -4.703 21 HG13 VAL 3 3HG1 VAL 3 -2.482 -5.556 -4.610 22 HG21 VAL 3 3HG2 VAL 3 0.781 -5.169 -6.448 23 HG22 VAL 3 1HG2 VAL 3 1.532 -4.208 -5.144 24 HG23 VAL 3 2HG2 VAL 3 1.145 -5.927 -4.889 25 H GLU 4 H GLU 4 -1.884 -2.241 -3.445 26 HA GLU 4 HA GLU 4 -4.623 -2.994 -3.489 27 HB2 GLU 4 1HB GLU 4 -2.823 -1.336 -1.867 28 HB3 GLU 4 2HB GLU 4 -4.414 -0.543 -2.120 29 HG2 GLU 4 1HG GLU 4 -5.485 -2.598 -1.234 30 HG3 GLU 4 2HG GLU 4 -3.910 -3.358 -0.991 31 HE2 GLU 4 HE2 GLU 4 -5.903 -2.796 0.764 32 H GLN 5 H GLN 5 -2.897 0.004 -4.415 33 HA GLN 5 HA GLN 5 -5.248 1.441 -5.118 34 HB2 GLN 5 1HB GLN 5 -2.359 1.722 -6.011 35 HB3 GLN 5 2HB GLN 5 -3.581 2.849 -6.464 36 HG2 GLN 5 1HG GLN 5 -3.957 3.499 -4.206 37 HG3 GLN 5 2HG GLN 5 -2.975 2.196 -3.613 38 HE21 GLN 5 2HE2 GLN 5 -0.932 2.584 -3.179 39 HE22 GLN 5 1HE2 GLN 5 -0.030 4.000 -3.679 40 H CYS 6 H CYS 6 -3.079 -0.647 -7.083 41 HA CYS 6 HA CYS 6 -4.464 -0.120 -9.581 42 HB2 CYS 6 1HB CYS 6 -2.136 -1.227 -8.904 43 HB3 CYS 6 2HB CYS 6 -3.122 -2.716 -9.106 44 H CYS 7 H CYS 7 -5.073 -2.299 -6.871 45 HA CYS 7 HA CYS 7 -6.888 -3.957 -8.401 46 HB2 CYS 7 1HB CYS 7 -5.623 -4.742 -6.411 47 HB3 CYS 7 2HB CYS 7 -6.557 -3.677 -5.389 48 H THR 8 H THR 8 -7.379 -1.431 -5.855 49 HA THR 8 HA THR 8 -10.241 -1.647 -6.111 50 HB THR 8 HB THR 8 -9.063 -1.056 -3.961 51 HG1 THR 8 HG1 THR 8 -10.607 0.820 -3.635 52 HG21 THR 8 1HG2 THR 8 -8.872 1.811 -4.946 53 HG22 THR 8 2HG2 THR 8 -7.493 0.674 -5.154 54 HG23 THR 8 3HG2 THR 8 -8.122 1.032 -3.524 55 H SER 9 H SER 9 -7.779 0.296 -7.629 56 HA SER 9 HA SER 9 -9.872 1.857 -9.101 57 HB2 SER 9 1HB SER 9 -8.263 3.190 -7.547 58 HB3 SER 9 2HB SER 9 -7.049 2.699 -8.728 59 HG SER 9 HG SER 9 -8.075 4.744 -9.236 60 H ILE 10 H ILE 10 -8.324 2.756 -11.175 61 HA ILE 10 HA ILE 10 -7.394 0.149 -12.362 62 HB ILE 10 HB ILE 10 -8.902 2.417 -13.802 63 HG12 ILE 10 1HG1 ILE 10 -9.616 -0.473 -13.097 64 HG13 ILE 10 2HG1 ILE 10 -10.356 0.977 -12.437 65 HG21 ILE 10 1HG2 ILE 10 -8.749 0.875 -15.770 66 HG22 ILE 10 2HG2 ILE 10 -7.181 1.465 -15.278 67 HG23 ILE 10 3HG2 ILE 10 -7.689 -0.204 -14.847 68 HD11 ILE 10 3HD1 ILE 10 -11.201 1.547 -14.810 69 HD12 ILE 10 1HD1 ILE 10 -10.721 -0.151 -15.234 70 HD13 ILE 10 2HD1 ILE 10 -11.964 0.144 -13.995 71 H CYS 11 H CYS 11 -5.303 0.121 -12.853 72 HA CYS 11 HA CYS 11 -3.831 2.615 -13.107 73 HB2 CYS 11 1HB CYS 11 -3.028 -0.254 -13.729 74 HB3 CYS 11 2HB CYS 11 -1.947 1.141 -13.740 75 H SER 12 H SER 12 -3.396 3.723 -14.879 76 HA SER 12 HA SER 12 -4.435 2.882 -17.496 77 HB2 SER 12 1HB SER 12 -2.801 5.330 -16.729 78 HB3 SER 12 2HB SER 12 -3.795 5.130 -18.217 79 HG SER 12 HG SER 12 -4.786 6.308 -16.359 80 H LEU 13 H LEU 13 -2.943 3.214 -19.407 81 HA LEU 13 HA LEU 13 -0.941 1.257 -19.381 82 HB2 LEU 13 1HB LEU 13 -1.606 3.605 -21.180 83 HB3 LEU 13 2HB LEU 13 -0.175 2.647 -21.462 84 HG LEU 13 HG LEU 13 -2.048 2.155 -22.983 85 HD11 LEU 13 1HD1 LEU 13 -0.277 0.555 -22.412 86 HD12 LEU 13 2HD1 LEU 13 -1.794 -0.223 -22.934 87 HD13 LEU 13 3HD1 LEU 13 -1.350 -0.219 -21.247 88 HD21 LEU 13 3HD2 LEU 13 -3.949 0.860 -22.286 89 HD22 LEU 13 1HD2 LEU 13 -3.859 2.420 -21.410 90 HD23 LEU 13 2HD2 LEU 13 -3.448 0.920 -20.596 91 H TYR 14 H TYR 14 -0.656 4.774 -19.244 92 HA TYR 14 HA TYR 14 2.195 4.772 -19.397 93 HB2 TYR 14 1HB TYR 14 0.925 7.002 -17.913 94 HB3 TYR 14 2HB TYR 14 1.890 7.010 -19.398 95 HD1 TYR 14 HD1 TYR 14 0.829 6.532 -21.644 96 HD2 TYR 14 HD2 TYR 14 -1.478 7.017 -18.082 97 HE1 TYR 14 HE1 TYR 14 -1.238 6.846 -22.991 98 HE2 TYR 14 HE2 TYR 14 -3.515 7.407 -19.421 99 HH TYR 14 HH TYR 14 -4.460 7.467 -21.536 100 H GLN 15 H GLN 15 -0.188 4.608 -16.720 101 HA GLN 15 HA GLN 15 1.678 5.086 -14.605 102 HB2 GLN 15 1HB GLN 15 -0.914 3.534 -14.574 103 HB3 GLN 15 2HB GLN 15 0.023 4.022 -13.182 104 HG2 GLN 15 1HG GLN 15 -0.231 6.383 -13.784 105 HG3 GLN 15 2HG GLN 15 -1.346 5.902 -15.062 106 HE21 GLN 15 2HE2 GLN 15 -1.166 6.834 -11.841 107 HE22 GLN 15 1HE2 GLN 15 -2.707 6.227 -11.306 108 H LEU 16 H LEU 16 0.507 2.114 -16.264 109 HA LEU 16 HA LEU 16 2.014 0.330 -14.585 110 HB2 LEU 16 1HB LEU 16 1.023 0.171 -17.488 111 HB3 LEU 16 2HB LEU 16 1.795 -1.197 -16.613 112 HG LEU 16 HG LEU 16 -0.762 0.114 -15.683 113 HD11 LEU 16 1HD1 LEU 16 -1.868 -1.907 -16.575 114 HD12 LEU 16 2HD1 LEU 16 -0.330 -2.438 -17.293 115 HD13 LEU 16 3HD1 LEU 16 -1.126 -0.965 -17.845 116 HD21 LEU 16 3HD2 LEU 16 -0.952 -1.964 -14.331 117 HD22 LEU 16 1HD2 LEU 16 0.499 -1.009 -13.906 118 HD23 LEU 16 2HD2 LEU 16 0.660 -2.500 -14.919 119 H GLU 17 H GLU 17 2.706 2.012 -17.688 120 HA GLU 17 HA GLU 17 5.293 0.862 -18.090 121 HB2 GLU 17 1HB GLU 17 4.074 3.468 -18.937 122 HB3 GLU 17 2HB GLU 17 5.717 3.006 -19.407 123 HG2 GLU 17 1HG GLU 17 4.933 0.992 -20.527 124 HG3 GLU 17 2HG GLU 17 3.270 1.267 -19.996 125 HE2 GLU 17 HE2 GLU 17 5.138 1.362 -22.370 126 H ASN 18 H ASN 18 4.262 3.580 -16.006 127 HA ASN 18 HA ASN 18 6.918 4.588 -15.505 128 HB2 ASN 18 1HB ASN 18 4.385 4.551 -13.798 129 HB3 ASN 18 2HB ASN 18 5.921 5.376 -13.288 130 HD21 ASN 18 2HD2 ASN 18 3.319 6.521 -13.684 131 HD22 ASN 18 1HD2 ASN 18 3.519 7.686 -14.936 132 H TYR 19 H TYR 19 5.321 1.639 -14.444 133 HA TYR 19 HA TYR 19 7.051 1.332 -12.064 134 HB2 TYR 19 1HB TYR 19 5.301 -0.687 -13.383 135 HB3 TYR 19 2HB TYR 19 5.945 -0.815 -11.765 136 HD1 TYR 19 HD2 TYR 19 5.184 2.286 -11.055 137 HD2 TYR 19 HD1 TYR 19 2.996 -1.087 -12.745 138 HE1 TYR 19 HE2 TYR 19 2.984 3.194 -10.211 139 HE2 TYR 19 HE1 TYR 19 0.881 -0.127 -11.892 140 HH TYR 19 HH TYR 19 -0.150 1.516 -10.827 141 H CYS 20 H CYS 20 7.277 0.803 -15.367 142 HA CYS 20 HA CYS 20 8.988 -1.565 -15.194 143 HB2 CYS 20 1HB CYS 20 8.199 0.183 -17.568 144 HB3 CYS 20 2HB CYS 20 9.044 -1.374 -17.660 145 H ASN 21 H ASN 21 11.132 -1.581 -16.377 146 HA ASN 21 HA ASN 21 12.719 0.694 -15.269 147 HB2 ASN 21 1HB ASN 21 13.519 -1.692 -15.233 148 HB3 ASN 21 2HB ASN 21 13.692 -1.649 -16.980 149 HD21 ASN 21 2HD2 ASN 21 15.417 -1.668 -14.325 150 HD22 ASN 21 1HD2 ASN 21 16.691 -0.562 -14.780 151 HXT ASN 21 H02 ASN 21 12.410 2.648 -17.870 152 H1 PHE 1 2H0 PHE 1 -3.873 -4.362 -25.950 153 H2 PHE 1 1H0 PHE 1 -5.384 -3.875 -26.194 154 HA PHE 1 HA PHE 1 -4.862 -4.480 -23.882 155 HB2 PHE 1 1HB PHE 1 -2.611 -3.332 -24.155 156 HB3 PHE 1 2HB PHE 1 -3.447 -1.793 -23.996 157 HD1 PHE 1 HD1 PHE 1 -4.413 -1.193 -21.717 158 HD2 PHE 1 HD2 PHE 1 -2.123 -4.766 -22.369 159 HE1 PHE 1 HE1 PHE 1 -4.052 -1.381 -19.289 160 HE2 PHE 1 HE2 PHE 1 -1.766 -5.042 -19.954 161 HZ PHE 1 HZ PHE 1 -2.735 -3.314 -18.373 162 H VAL 2 H VAL 2 -6.284 -3.921 -22.289 163 HA VAL 2 HA VAL 2 -8.045 -1.537 -22.743 164 HB VAL 2 HB VAL 2 -9.403 -3.463 -23.357 165 HG11 VAL 2 1HG1 VAL 2 -9.732 -5.425 -21.818 166 HG12 VAL 2 2HG1 VAL 2 -8.107 -5.352 -22.426 167 HG13 VAL 2 3HG1 VAL 2 -8.413 -4.808 -20.798 168 HG21 VAL 2 3HG2 VAL 2 -10.558 -1.769 -21.932 169 HG22 VAL 2 1HG2 VAL 2 -11.206 -3.456 -21.714 170 HG23 VAL 2 2HG2 VAL 2 -10.075 -2.714 -20.475 171 H ASN 3 H ASN 3 -8.399 -0.359 -20.877 172 HA ASN 3 HA ASN 3 -6.524 -0.984 -18.695 173 HB2 ASN 3 1HB ASN 3 -7.115 1.220 -17.837 174 HB3 ASN 3 2HB ASN 3 -6.743 1.297 -19.576 175 HD21 ASN 3 2HD2 ASN 3 -8.691 2.647 -17.486 176 HD22 ASN 3 1HD2 ASN 3 -10.107 2.974 -18.485 177 H GLN 4 H GLN 4 -7.043 -2.304 -17.071 178 HA GLN 4 HA GLN 4 -9.845 -2.259 -16.032 179 HB2 GLN 4 1HB GLN 4 -9.827 -4.717 -15.998 180 HB3 GLN 4 2HB GLN 4 -9.775 -4.017 -17.658 181 HG2 GLN 4 1HG GLN 4 -7.337 -4.383 -17.782 182 HG3 GLN 4 2HG GLN 4 -7.415 -5.194 -16.178 183 HE21 GLN 4 2HE2 GLN 4 -7.335 -7.264 -16.332 184 HE22 GLN 4 1HE2 GLN 4 -8.030 -8.246 -17.574 185 H HIS 5 H HIS 5 -9.951 -3.499 -13.963 186 HA HIS 5 HA HIS 5 -7.931 -2.548 -12.106 187 HB2 HIS 5 1HB HIS 5 -10.104 -4.683 -11.856 188 HB3 HIS 5 2HB HIS 5 -9.153 -4.104 -10.479 189 HD1 HIS 5 HD1 HIS 5 -9.458 -1.453 -9.936 190 HD2 HIS 5 HD2 HIS 5 -12.448 -3.202 -12.307 191 HE1 HIS 5 HE1 HIS 5 -11.462 0.091 -9.817 192 HE2 HIS 5 HE2 HIS 5 -13.286 -0.970 -11.315 193 H LEU 6 H LEU 6 -6.018 -3.598 -11.410 194 HA LEU 6 HA LEU 6 -5.726 -6.511 -12.208 195 HB2 LEU 6 1HB LEU 6 -3.513 -4.443 -11.826 196 HB3 LEU 6 2HB LEU 6 -3.328 -6.115 -12.127 197 HG LEU 6 HG LEU 6 -2.686 -5.291 -14.107 198 HD11 LEU 6 1HD1 LEU 6 -4.610 -6.781 -14.533 199 HD12 LEU 6 2HD1 LEU 6 -4.341 -5.577 -15.807 200 HD13 LEU 6 3HD1 LEU 6 -5.692 -5.352 -14.623 201 HD21 LEU 6 3HD2 LEU 6 -4.805 -3.106 -13.903 202 HD22 LEU 6 1HD2 LEU 6 -3.582 -3.332 -15.252 203 HD23 LEU 6 2HD2 LEU 6 -3.040 -2.949 -13.599 204 H CYS 7 H CYS 7 -5.624 -7.759 -10.395 205 HA CYS 7 HA CYS 7 -4.574 -6.599 -7.838 206 HB2 CYS 7 1HB CYS 7 -6.767 -8.688 -8.193 207 HB3 CYS 7 2HB CYS 7 -6.276 -7.995 -6.701 208 H GLY 8 H GLY 8 -3.192 -8.036 -6.672 209 HA2 GLY 8 1HA GLY 8 -1.795 -9.827 -6.379 210 HA3 GLY 8 2HA GLY 8 -3.014 -10.781 -7.227 211 H SER 9 H SER 9 -1.724 -11.996 -8.604 212 HA SER 9 HA SER 9 0.605 -10.969 -9.871 213 HB2 SER 9 1HB SER 9 0.033 -13.333 -9.223 214 HB3 SER 9 2HB SER 9 -0.987 -13.452 -10.724 215 HG SER 9 HG SER 9 1.738 -12.677 -10.668 216 H HIS 10 H HIS 10 -2.566 -10.107 -10.731 217 HA HIS 10 HA HIS 10 -2.220 -10.378 -13.634 218 HB2 HIS 10 1HB HIS 10 -4.133 -8.850 -11.867 219 HB3 HIS 10 2HB HIS 10 -4.036 -8.567 -13.603 220 HD1 HIS 10 HD1 HIS 10 -6.282 -9.531 -14.332 221 HD2 HIS 10 HD2 HIS 10 -3.957 -12.236 -12.077 222 HE1 HIS 10 HE1 HIS 10 -7.407 -11.766 -14.545 223 HE2 HIS 10 HE2 HIS 10 -6.039 -13.412 -13.181 224 H LEU 11 H LEU 11 -1.092 -8.270 -11.123 225 HA LEU 11 HA LEU 11 -0.634 -5.922 -12.705 226 HB2 LEU 11 1HB LEU 11 0.580 -7.020 -10.197 227 HB3 LEU 11 2HB LEU 11 1.330 -5.640 -11.002 228 HG LEU 11 HG LEU 11 -1.093 -4.624 -10.905 229 HD11 LEU 11 1HD1 LEU 11 -2.133 -6.441 -9.701 230 HD12 LEU 11 2HD1 LEU 11 -2.106 -5.040 -8.726 231 HD13 LEU 11 3HD1 LEU 11 -0.909 -6.327 -8.430 232 HD21 LEU 11 3HD2 LEU 11 0.941 -4.637 -8.660 233 HD22 LEU 11 1HD2 LEU 11 -0.287 -3.394 -8.908 234 HD23 LEU 11 2HD2 LEU 11 1.011 -3.659 -10.114 235 H VAL 12 H VAL 12 1.686 -8.482 -11.653 236 HA VAL 12 HA VAL 12 3.715 -7.526 -13.408 237 HB VAL 12 HB VAL 12 4.871 -9.689 -12.995 238 HG11 VAL 12 1HG1 VAL 12 3.705 -8.515 -10.444 239 HG12 VAL 12 2HG1 VAL 12 5.251 -9.367 -10.567 240 HG13 VAL 12 3HG1 VAL 12 5.047 -7.796 -11.390 241 HG21 VAL 12 3HG2 VAL 12 3.920 -11.357 -11.489 242 HG22 VAL 12 1HG2 VAL 12 2.428 -10.478 -11.399 243 HG23 VAL 12 2HG2 VAL 12 2.890 -11.234 -12.920 244 H GLU 13 H GLU 13 0.997 -9.799 -14.001 245 HA GLU 13 HA GLU 13 2.065 -10.718 -16.511 246 HB2 GLU 13 1HB GLU 13 -0.712 -10.518 -15.344 247 HB3 GLU 13 2HB GLU 13 -0.525 -11.005 -17.058 248 HG2 GLU 13 1HG GLU 13 0.903 -12.885 -16.324 249 HG3 GLU 13 2HG GLU 13 0.725 -12.422 -14.679 250 HE2 GLU 13 HE2 GLU 13 -0.355 -13.914 -13.885 251 H ALA 14 H ALA 14 0.060 -7.861 -15.595 252 HA ALA 14 HA ALA 14 -0.318 -7.020 -18.314 253 HB1 ALA 14 3HB ALA 14 -1.753 -6.260 -16.337 254 HB2 ALA 14 1HB ALA 14 -0.335 -5.354 -15.742 255 HB3 ALA 14 2HB ALA 14 -1.093 -4.887 -17.292 256 H LEU 15 H LEU 15 2.175 -6.284 -15.798 257 HA LEU 15 HA LEU 15 3.591 -4.358 -17.363 258 HB2 LEU 15 1HB LEU 15 4.552 -6.195 -15.123 259 HB3 LEU 15 2HB LEU 15 5.479 -4.871 -15.860 260 HG LEU 15 HG LEU 15 3.001 -4.615 -14.223 261 HD11 LEU 15 1HD1 LEU 15 5.795 -3.587 -13.789 262 HD12 LEU 15 2HD1 LEU 15 5.112 -5.005 -12.966 263 HD13 LEU 15 3HD1 LEU 15 4.436 -3.402 -12.687 264 HD21 LEU 15 3HD2 LEU 15 3.165 -2.217 -14.473 265 HD22 LEU 15 1HD2 LEU 15 2.906 -2.990 -16.066 266 HD23 LEU 15 2HD2 LEU 15 4.542 -2.406 -15.589 267 H TYR 16 H TYR 16 3.871 -7.900 -17.157 268 HA TYR 16 HA TYR 16 6.118 -8.138 -18.843 269 HB2 TYR 16 1HB TYR 16 5.509 -10.046 -17.716 270 HB3 TYR 16 2HB TYR 16 3.823 -9.847 -18.112 271 HD1 TYR 16 HD2 TYR 16 7.096 -10.964 -19.438 272 HD2 TYR 16 HD1 TYR 16 2.859 -10.812 -20.134 273 HE1 TYR 16 HE2 TYR 16 7.306 -12.608 -21.347 274 HE2 TYR 16 HE1 TYR 16 3.069 -12.399 -22.006 275 HH TYR 16 HH TYR 16 6.207 -13.829 -22.897 276 H LEU 17 H LEU 17 2.586 -7.954 -19.583 277 HA LEU 17 HA LEU 17 3.020 -8.185 -22.402 278 HB2 LEU 17 1HB LEU 17 0.663 -7.022 -20.851 279 HB3 LEU 17 2HB LEU 17 0.702 -7.190 -22.610 280 HG LEU 17 HG LEU 17 0.848 -9.490 -20.612 281 HD11 LEU 17 1HD1 LEU 17 -1.271 -8.406 -20.439 282 HD12 LEU 17 2HD1 LEU 17 -1.467 -9.934 -21.375 283 HD13 LEU 17 3HD1 LEU 17 -1.461 -8.342 -22.206 284 HD21 LEU 17 3HD2 LEU 17 0.262 -10.855 -22.657 285 HD22 LEU 17 1HD2 LEU 17 1.842 -10.071 -22.810 286 HD23 LEU 17 2HD2 LEU 17 0.475 -9.377 -23.669 287 H VAL 18 H VAL 18 2.558 -5.264 -20.375 288 HA VAL 18 HA VAL 18 2.558 -3.626 -22.746 289 HB VAL 18 HB VAL 18 1.231 -3.204 -20.613 290 HG11 VAL 18 1HG1 VAL 18 3.644 -1.832 -19.514 291 HG12 VAL 18 2HG1 VAL 18 2.127 -2.186 -18.770 292 HG13 VAL 18 3HG1 VAL 18 3.210 -3.508 -19.113 293 HG21 VAL 18 3HG2 VAL 18 2.871 -0.836 -21.600 294 HG22 VAL 18 1HG2 VAL 18 1.414 -1.551 -22.419 295 HG23 VAL 18 2HG2 VAL 18 1.283 -0.803 -20.775 296 H CYS 19 H CYS 19 5.068 -4.632 -20.434 297 HA CYS 19 HA CYS 19 6.887 -2.596 -21.729 298 HB2 CYS 19 1HB CYS 19 7.105 -4.021 -19.065 299 HB3 CYS 19 2HB CYS 19 8.289 -2.857 -19.719 300 H GLY 20 H GLY 20 6.258 -5.985 -21.579 301 HA2 GLY 20 1HA GLY 20 7.422 -7.732 -22.470 302 HA3 GLY 20 2HA GLY 20 8.051 -6.546 -23.620 303 H GLU 21 H GLU 21 10.140 -6.753 -23.793 304 HA GLU 21 HA GLU 21 11.842 -8.119 -22.013 305 HB2 GLU 21 1HB GLU 21 12.517 -6.164 -24.232 306 HB3 GLU 21 2HB GLU 21 13.672 -7.234 -23.435 307 HG2 GLU 21 1HG GLU 21 12.383 -9.132 -24.277 308 HG3 GLU 21 2HG GLU 21 11.263 -8.109 -25.100 309 HE2 GLU 21 HE2 GLU 21 14.320 -9.223 -27.000 310 H ARG 22 H ARG 22 10.776 -4.781 -21.715 311 HA ARG 22 HA ARG 22 13.327 -3.787 -20.650 312 HB2 ARG 22 1HB ARG 22 10.490 -2.791 -20.344 313 HB3 ARG 22 2HB ARG 22 11.893 -2.025 -19.578 314 HG2 ARG 22 1HG ARG 22 11.385 -2.270 -22.598 315 HG3 ARG 22 2HG ARG 22 11.237 -0.804 -21.650 316 HD2 ARG 22 1HD ARG 22 13.820 -2.391 -22.028 317 HD3 ARG 22 2HD ARG 22 13.337 -0.884 -22.915 318 HE ARG 22 HE ARG 22 13.218 -0.193 -20.214 319 HH11 ARG 22 1HH1 ARG 22 15.774 -1.721 -22.122 320 HH12 ARG 22 2HH1 ARG 22 17.060 -1.091 -21.123 321 HH21 ARG 22 1HH2 ARG 22 14.876 0.574 -18.991 322 HH22 ARG 22 2HH2 ARG 22 16.521 0.230 -19.353 323 H GLY 23 H GLY 23 10.596 -5.523 -19.348 324 HA2 GLY 23 1HA GLY 23 10.466 -6.674 -17.374 325 HA3 GLY 23 2HA GLY 23 12.139 -6.296 -17.056 326 H PHE 24 H PHE 24 11.039 -6.207 -14.810 327 HA PHE 24 HA PHE 24 10.624 -3.431 -14.014 328 HB2 PHE 24 1HB PHE 24 8.497 -3.954 -12.837 329 HB3 PHE 24 2HB PHE 24 8.276 -3.944 -14.592 330 HD1 PHE 24 HD1 PHE 24 8.571 -6.200 -11.646 331 HD2 PHE 24 HD2 PHE 24 7.608 -5.870 -15.788 332 HE1 PHE 24 HE1 PHE 24 7.729 -8.570 -11.649 333 HE2 PHE 24 HE2 PHE 24 6.762 -8.209 -15.780 334 HZ PHE 24 HZ PHE 24 6.842 -9.559 -13.714 335 H PHE 25 H PHE 25 10.640 -3.390 -11.619 336 HA PHE 25 HA PHE 25 12.365 -5.555 -10.590 337 HB2 PHE 25 1HB PHE 25 13.036 -3.100 -10.327 338 HB3 PHE 25 2HB PHE 25 11.633 -2.904 -9.338 339 HD1 PHE 25 HD1 PHE 25 14.878 -4.657 -9.569 340 HD2 PHE 25 HD2 PHE 25 11.607 -3.544 -7.058 341 HE1 PHE 25 HE1 PHE 25 16.141 -5.482 -7.581 342 HE2 PHE 25 HE2 PHE 25 12.855 -4.270 -5.013 343 HZ PHE 25 HZ PHE 25 15.150 -5.289 -5.302 344 H NVA 26 H ARX 26 11.333 -7.234 -9.742 345 HA NVA 26 HA ARX 26 9.017 -6.815 -8.009 346 HB2 NVA 26 1HB ARX 26 9.094 -8.712 -9.711 347 HB3 NVA 26 2HB ARX 26 10.341 -9.481 -8.728 348 HG2 NVA 26 1HG ARX 26 8.679 -9.276 -6.754 349 HG3 NVA 26 2HG ARX 26 7.421 -8.923 -7.939 350 HD2 NVA 26 1HD ARX 26 7.478 -11.142 -8.837 351 HD3 NVA 26 2HD ARX 26 9.139 -11.381 -8.397 352 H THR 27 H THR 27 9.005 -6.787 -5.872 353 HA THR 27 HA THR 27 11.478 -6.650 -4.361 354 HB THR 27 HB THR 27 9.968 -6.521 -2.356 355 HG1 THR 27 HG1 THR 27 8.266 -7.701 -3.771 356 HG21 THR 27 1HG2 THR 27 9.449 -4.627 -4.667 357 HG22 THR 27 2HG2 THR 27 10.664 -4.450 -3.400 358 HG23 THR 27 3HG2 THR 27 8.927 -4.335 -3.002 359 HA PRO 28 HA PRO 28 11.914 -10.890 -3.572 360 HB2 PRO 28 1HB PRO 28 12.461 -11.096 -0.851 361 HB3 PRO 28 2HB PRO 28 13.633 -10.635 -2.067 362 HG2 PRO 28 1HG PRO 28 12.027 -8.906 -0.263 363 HG3 PRO 28 2HG PRO 28 13.776 -8.828 -0.651 364 HD2 PRO 28 1HD PRO 28 11.999 -7.196 -1.847 365 HD3 PRO 28 2HD PRO 28 13.372 -7.857 -2.772 366 H HIX 29 H HIX 29 10.393 -12.375 -3.598 367 HA HIX 29 HA HIX 29 7.820 -12.091 -2.338 368 HB1 HIX 29 1HB HIX 29 9.119 -14.284 -4.038 369 HB2 HIX 29 2HB HIX 29 7.397 -14.321 -3.527 370 HD2 HIX 29 HD2 HIX 29 9.684 -12.227 -5.953 371 HD1 HIX 29 HD1 HIX 29 5.684 -12.897 -4.966 372 H THR 30 H THR 30 9.043 -11.888 -0.289 373 HA THR 30 HA THR 30 8.668 -14.320 1.363 374 HB THR 30 HB THR 30 10.847 -13.564 2.686 375 HG1 THR 30 HG1 THR 30 12.280 -12.433 1.278 376 HG21 THR 30 1HG2 THR 30 10.813 -15.583 1.231 377 HG22 THR 30 2HG2 THR 30 12.381 -14.763 1.149 378 HG23 THR 30 3HG2 THR 30 11.258 -14.591 -0.181 379 HXT THR 30 H02 THR 30 7.627 -12.492 3.863 Start of MODEL 15 1 H1 GLY 1 2H0 GLY 1 1.269 -0.293 -0.426 2 H2 GLY 1 1H0 GLY 1 2.852 -0.521 -0.036 3 HA2 GLY 1 1HA GLY 1 3.475 -0.613 -2.395 4 HA3 GLY 1 2HA GLY 1 2.345 -1.937 -2.008 5 H ILE 2 H ILE 2 3.126 -0.590 -4.529 6 HA ILE 2 HA ILE 2 0.948 0.992 -5.457 7 HB ILE 2 HB ILE 2 3.319 0.844 -6.396 8 HG12 ILE 2 1HG1 ILE 2 2.540 1.226 -8.745 9 HG13 ILE 2 2HG1 ILE 2 0.919 0.731 -8.292 10 HG21 ILE 2 1HG2 ILE 2 3.307 -1.703 -6.687 11 HG22 ILE 2 2HG2 ILE 2 2.184 -1.508 -8.018 12 HG23 ILE 2 3HG2 ILE 2 3.801 -0.844 -8.107 13 HD11 ILE 2 3HD1 ILE 2 0.731 2.668 -6.794 14 HD12 ILE 2 1HD1 ILE 2 2.464 3.090 -7.006 15 HD13 ILE 2 2HD1 ILE 2 1.352 3.260 -8.387 16 H VAL 3 H VAL 3 1.322 -2.436 -5.204 17 HA VAL 3 HA VAL 3 -0.436 -3.340 -7.182 18 HB VAL 3 HB VAL 3 0.159 -4.498 -4.404 19 HG11 VAL 3 1HG1 VAL 3 -1.036 -5.901 -6.837 20 HG12 VAL 3 2HG1 VAL 3 -0.481 -6.705 -5.330 21 HG13 VAL 3 3HG1 VAL 3 -1.891 -5.563 -5.267 22 HG21 VAL 3 3HG2 VAL 3 1.770 -5.907 -5.630 23 HG22 VAL 3 1HG2 VAL 3 1.403 -5.006 -7.128 24 HG23 VAL 3 2HG2 VAL 3 2.195 -4.187 -5.782 25 H GLU 4 H GLU 4 -1.008 -2.173 -3.877 26 HA GLU 4 HA GLU 4 -3.780 -2.925 -3.893 27 HB2 GLU 4 1HB GLU 4 -2.109 -2.323 -1.932 28 HB3 GLU 4 2HB GLU 4 -2.762 -0.696 -2.161 29 HG2 GLU 4 1HG GLU 4 -5.000 -1.583 -1.817 30 HG3 GLU 4 2HG GLU 4 -4.325 -3.202 -1.585 31 HE2 GLU 4 HE2 GLU 4 -4.178 -0.011 -0.450 32 H GLN 5 H GLN 5 -2.026 -0.000 -4.871 33 HA GLN 5 HA GLN 5 -4.415 1.571 -5.178 34 HB2 GLN 5 1HB GLN 5 -1.670 1.883 -6.462 35 HB3 GLN 5 2HB GLN 5 -2.943 3.081 -6.486 36 HG2 GLN 5 1HG GLN 5 -2.892 3.168 -3.992 37 HG3 GLN 5 2HG GLN 5 -1.498 2.040 -4.015 38 HE21 GLN 5 2HE2 GLN 5 0.305 3.172 -3.581 39 HE22 GLN 5 1HE2 GLN 5 0.720 4.728 -4.266 40 H CYS 6 H CYS 6 -2.376 -0.401 -7.384 41 HA CYS 6 HA CYS 6 -3.895 0.164 -9.729 42 HB2 CYS 6 1HB CYS 6 -1.556 -0.751 -9.445 43 HB3 CYS 6 2HB CYS 6 -2.307 -2.297 -9.136 44 H CYS 7 H CYS 7 -4.421 -2.004 -7.038 45 HA CYS 7 HA CYS 7 -6.448 -3.632 -8.519 46 HB2 CYS 7 1HB CYS 7 -4.957 -4.486 -6.720 47 HB3 CYS 7 2HB CYS 7 -5.838 -3.529 -5.555 48 H THR 8 H THR 8 -6.425 -0.968 -6.031 49 HA THR 8 HA THR 8 -9.345 -1.212 -5.804 50 HB THR 8 HB THR 8 -7.732 -0.655 -3.883 51 HG1 THR 8 HG1 THR 8 -9.332 0.654 -2.913 52 HG21 THR 8 1HG2 THR 8 -7.092 1.662 -3.573 53 HG22 THR 8 2HG2 THR 8 -8.002 2.165 -4.989 54 HG23 THR 8 3HG2 THR 8 -6.551 1.181 -5.209 55 H SER 9 H SER 9 -7.219 0.558 -7.859 56 HA SER 9 HA SER 9 -9.602 2.107 -8.845 57 HB2 SER 9 1HB SER 9 -7.956 3.619 -7.669 58 HB3 SER 9 2HB SER 9 -6.720 3.094 -8.841 59 HG SER 9 HG SER 9 -7.464 4.860 -9.768 60 H ILE 10 H ILE 10 -8.991 2.893 -11.240 61 HA ILE 10 HA ILE 10 -8.478 0.345 -12.700 62 HB ILE 10 HB ILE 10 -9.329 3.115 -13.619 63 HG12 ILE 10 1HG1 ILE 10 -11.001 1.717 -12.292 64 HG13 ILE 10 2HG1 ILE 10 -11.541 2.270 -13.859 65 HG21 ILE 10 1HG2 ILE 10 -8.115 2.156 -15.383 66 HG22 ILE 10 2HG2 ILE 10 -8.787 0.538 -15.128 67 HG23 ILE 10 3HG2 ILE 10 -9.809 1.880 -15.770 68 HD11 ILE 10 3HD1 ILE 10 -11.222 0.053 -14.864 69 HD12 ILE 10 1HD1 ILE 10 -10.512 -0.600 -13.372 70 HD13 ILE 10 2HD1 ILE 10 -12.226 -0.125 -13.433 71 H CYS 11 H CYS 11 -6.590 -0.099 -13.588 72 HA CYS 11 HA CYS 11 -4.397 1.910 -13.387 73 HB2 CYS 11 1HB CYS 11 -4.729 -0.916 -13.158 74 HB3 CYS 11 2HB CYS 11 -3.596 -0.578 -14.440 75 H SER 12 H SER 12 -3.804 3.056 -15.052 76 HA SER 12 HA SER 12 -4.743 2.413 -17.774 77 HB2 SER 12 1HB SER 12 -2.896 4.742 -17.266 78 HB3 SER 12 2HB SER 12 -4.498 4.642 -18.157 79 HG SER 12 HG SER 12 -4.889 5.799 -16.333 80 H LEU 13 H LEU 13 -3.314 2.318 -19.555 81 HA LEU 13 HA LEU 13 -1.060 0.711 -19.377 82 HB2 LEU 13 1HB LEU 13 -2.086 2.698 -21.363 83 HB3 LEU 13 2HB LEU 13 -0.461 2.116 -21.577 84 HG LEU 13 HG LEU 13 -2.876 0.359 -21.458 85 HD11 LEU 13 1HD1 LEU 13 -2.611 0.198 -23.927 86 HD12 LEU 13 2HD1 LEU 13 -1.267 1.341 -23.857 87 HD13 LEU 13 3HD1 LEU 13 -2.908 1.895 -23.422 88 HD21 LEU 13 3HD2 LEU 13 -0.904 -0.849 -20.840 89 HD22 LEU 13 1HD2 LEU 13 -0.017 -0.119 -22.209 90 HD23 LEU 13 2HD2 LEU 13 -1.362 -1.280 -22.493 91 H TYR 14 H TYR 14 -1.171 4.205 -19.232 92 HA TYR 14 HA TYR 14 1.637 4.568 -19.559 93 HB2 TYR 14 1HB TYR 14 -0.139 6.577 -18.184 94 HB3 TYR 14 2HB TYR 14 1.217 6.824 -19.352 95 HD1 TYR 14 HD1 TYR 14 0.736 5.441 -21.737 96 HD2 TYR 14 HD2 TYR 14 -2.229 7.124 -19.069 97 HE1 TYR 14 HE1 TYR 14 -0.986 5.530 -23.590 98 HE2 TYR 14 HE2 TYR 14 -3.897 7.158 -20.861 99 HH TYR 14 HH TYR 14 -3.088 6.106 -24.176 100 H GLN 15 H GLN 15 -0.540 4.315 -16.793 101 HA GLN 15 HA GLN 15 1.425 5.077 -14.812 102 HB2 GLN 15 1HB GLN 15 -1.133 3.404 -14.540 103 HB3 GLN 15 2HB GLN 15 -0.213 4.102 -13.233 104 HG2 GLN 15 1HG GLN 15 -0.663 6.327 -14.759 105 HG3 GLN 15 2HG GLN 15 -2.134 5.380 -15.064 106 HE21 GLN 15 2HE2 GLN 15 -3.761 5.799 -13.632 107 HE22 GLN 15 1HE2 GLN 15 -3.573 6.323 -11.991 108 H LEU 16 H LEU 16 0.240 2.034 -16.314 109 HA LEU 16 HA LEU 16 1.798 0.263 -14.672 110 HB2 LEU 16 1HB LEU 16 0.782 0.002 -17.521 111 HB3 LEU 16 2HB LEU 16 1.519 -1.327 -16.649 112 HG LEU 16 HG LEU 16 -0.993 0.076 -15.781 113 HD11 LEU 16 1HD1 LEU 16 -0.697 -2.628 -17.041 114 HD12 LEU 16 2HD1 LEU 16 -1.252 -1.143 -17.909 115 HD13 LEU 16 3HD1 LEU 16 -2.199 -1.820 -16.568 116 HD21 LEU 16 3HD2 LEU 16 -1.243 -1.934 -14.315 117 HD22 LEU 16 1HD2 LEU 16 0.098 -0.929 -13.867 118 HD23 LEU 16 2HD2 LEU 16 0.360 -2.445 -14.755 119 H GLU 17 H GLU 17 2.581 1.742 -17.895 120 HA GLU 17 HA GLU 17 5.128 0.372 -17.847 121 HB2 GLU 17 1HB GLU 17 5.670 1.639 -19.770 122 HB3 GLU 17 2HB GLU 17 4.067 1.051 -19.903 123 HG2 GLU 17 1HG GLU 17 3.589 3.094 -20.581 124 HG3 GLU 17 2HG GLU 17 3.699 3.512 -18.867 125 HE2 GLU 17 HE2 GLU 17 6.478 4.616 -21.395 126 H ASN 18 H ASN 18 3.974 3.268 -16.417 127 HA ASN 18 HA ASN 18 6.559 4.517 -16.016 128 HB2 ASN 18 1HB ASN 18 3.865 4.883 -14.929 129 HB3 ASN 18 2HB ASN 18 5.066 5.183 -13.706 130 HD21 ASN 18 2HD2 ASN 18 3.275 6.655 -16.050 131 HD22 ASN 18 1HD2 ASN 18 4.324 7.996 -16.334 132 H TYR 19 H TYR 19 5.061 1.686 -14.462 133 HA TYR 19 HA TYR 19 6.782 1.870 -12.065 134 HB2 TYR 19 1HB TYR 19 5.304 -0.566 -12.994 135 HB3 TYR 19 2HB TYR 19 5.891 -0.267 -11.375 136 HD1 TYR 19 HD2 TYR 19 4.708 2.771 -11.431 137 HD2 TYR 19 HD1 TYR 19 3.068 -1.055 -12.280 138 HE1 TYR 19 HE2 TYR 19 2.427 3.649 -11.002 139 HE2 TYR 19 HE1 TYR 19 0.788 -0.214 -11.835 140 HH TYR 19 HH TYR 19 0.155 3.185 -10.967 141 H CYS 20 H CYS 20 7.106 0.691 -15.273 142 HA CYS 20 HA CYS 20 9.323 -1.119 -14.506 143 HB2 CYS 20 1HB CYS 20 8.726 -2.531 -16.196 144 HB3 CYS 20 2HB CYS 20 7.164 -1.818 -15.755 145 H ASN 21 H ASN 21 10.976 -1.387 -16.338 146 HA ASN 21 HA ASN 21 12.211 1.210 -16.713 147 HB2 ASN 21 1HB ASN 21 13.461 -0.877 -16.055 148 HB3 ASN 21 2HB ASN 21 13.166 -1.514 -17.711 149 HD21 ASN 21 2HD2 ASN 21 15.306 -0.009 -15.778 150 HD22 ASN 21 1HD2 ASN 21 16.275 0.788 -16.991 151 HXT ASN 21 H02 ASN 21 11.067 1.829 -19.803 152 H1 PHE 1 2H0 PHE 1 -5.846 -2.678 -26.282 153 H2 PHE 1 1H0 PHE 1 -4.582 -3.692 -26.236 154 HA PHE 1 HA PHE 1 -5.230 -4.327 -23.916 155 HB2 PHE 1 1HB PHE 1 -3.330 -2.779 -24.735 156 HB3 PHE 1 2HB PHE 1 -4.331 -1.459 -24.242 157 HD1 PHE 1 HD2 PHE 1 -2.490 -4.441 -23.021 158 HD2 PHE 1 HD1 PHE 1 -4.882 -1.026 -21.890 159 HE1 PHE 1 HE2 PHE 1 -1.840 -4.719 -20.646 160 HE2 PHE 1 HE1 PHE 1 -4.251 -1.311 -19.541 161 HZ PHE 1 HZ PHE 1 -2.688 -3.201 -18.912 162 H VAL 2 H VAL 2 -6.349 -3.812 -22.023 163 HA VAL 2 HA VAL 2 -8.278 -1.556 -22.263 164 HB VAL 2 HB VAL 2 -9.010 -4.392 -21.300 165 HG11 VAL 2 1HG1 VAL 2 -10.677 -1.836 -21.443 166 HG12 VAL 2 2HG1 VAL 2 -11.339 -3.407 -21.073 167 HG13 VAL 2 3HG1 VAL 2 -10.185 -2.710 -19.939 168 HG21 VAL 2 3HG2 VAL 2 -8.936 -4.182 -23.791 169 HG22 VAL 2 1HG2 VAL 2 -10.625 -4.319 -23.230 170 HG23 VAL 2 2HG2 VAL 2 -9.966 -2.750 -23.705 171 H ASN 3 H ASN 3 -8.372 -0.382 -20.517 172 HA ASN 3 HA ASN 3 -6.555 -0.948 -18.328 173 HB2 ASN 3 1HB ASN 3 -8.640 1.269 -18.750 174 HB3 ASN 3 2HB ASN 3 -7.450 1.201 -17.446 175 HD21 ASN 3 2HD2 ASN 3 -7.800 3.277 -19.331 176 HD22 ASN 3 1HD2 ASN 3 -6.345 3.388 -20.275 177 H GLN 4 H GLN 4 -7.162 -1.923 -16.416 178 HA GLN 4 HA GLN 4 -10.058 -2.106 -15.681 179 HB2 GLN 4 1HB GLN 4 -8.169 -4.503 -15.825 180 HB3 GLN 4 2HB GLN 4 -9.811 -4.493 -15.205 181 HG2 GLN 4 1HG GLN 4 -10.616 -3.856 -17.484 182 HG3 GLN 4 2HG GLN 4 -8.967 -3.981 -18.043 183 HE21 GLN 4 2HE2 GLN 4 -8.033 -6.016 -18.294 184 HE22 GLN 4 1HE2 GLN 4 -8.943 -7.497 -18.201 185 H HIS 5 H HIS 5 -9.980 -3.365 -13.395 186 HA HIS 5 HA HIS 5 -7.933 -2.081 -11.659 187 HB2 HIS 5 1HB HIS 5 -10.114 -4.167 -11.188 188 HB3 HIS 5 2HB HIS 5 -9.042 -3.541 -9.913 189 HD1 HIS 5 HD1 HIS 5 -9.364 -1.001 -9.223 190 HD2 HIS 5 HD2 HIS 5 -12.319 -2.467 -11.819 191 HE1 HIS 5 HE1 HIS 5 -11.306 0.674 -9.155 192 HE2 HIS 5 HE2 HIS 5 -13.109 -0.240 -10.715 193 H LEU 6 H LEU 6 -6.057 -3.396 -10.987 194 HA LEU 6 HA LEU 6 -6.020 -6.184 -12.157 195 HB2 LEU 6 1HB LEU 6 -3.802 -4.115 -12.171 196 HB3 LEU 6 2HB LEU 6 -3.615 -5.778 -12.705 197 HG LEU 6 HG LEU 6 -5.416 -3.754 -14.043 198 HD11 LEU 6 1HD1 LEU 6 -3.609 -3.590 -15.722 199 HD12 LEU 6 2HD1 LEU 6 -2.609 -4.653 -14.723 200 HD13 LEU 6 3HD1 LEU 6 -3.119 -3.052 -14.129 201 HD21 LEU 6 3HD2 LEU 6 -5.941 -6.168 -14.549 202 HD22 LEU 6 1HD2 LEU 6 -4.306 -6.367 -15.182 203 HD23 LEU 6 2HD2 LEU 6 -5.403 -5.250 -15.974 204 H CYS 7 H CYS 7 -5.682 -7.625 -10.576 205 HA CYS 7 HA CYS 7 -3.883 -6.860 -8.308 206 HB2 CYS 7 1HB CYS 7 -6.227 -8.694 -7.955 207 HB3 CYS 7 2HB CYS 7 -5.418 -7.730 -6.735 208 H GLY 8 H GLY 8 -2.892 -8.680 -7.301 209 HA2 GLY 8 1HA GLY 8 -1.612 -10.600 -7.420 210 HA3 GLY 8 2HA GLY 8 -3.129 -11.318 -7.964 211 H SER 9 H SER 9 -2.513 -12.629 -9.590 212 HA SER 9 HA SER 9 -0.321 -12.446 -11.259 213 HB2 SER 9 1HB SER 9 -1.798 -14.410 -10.879 214 HB3 SER 9 2HB SER 9 -2.975 -13.741 -12.032 215 HG SER 9 HG SER 9 -1.403 -15.224 -12.962 216 H HIS 10 H HIS 10 -3.405 -10.688 -11.654 217 HA HIS 10 HA HIS 10 -3.174 -10.298 -14.490 218 HB2 HIS 10 1HB HIS 10 -4.536 -8.723 -12.266 219 HB3 HIS 10 2HB HIS 10 -4.599 -8.202 -13.890 220 HD1 HIS 10 HD1 HIS 10 -6.682 -8.879 -15.114 221 HD2 HIS 10 HD2 HIS 10 -5.517 -11.672 -12.239 222 HE1 HIS 10 HE1 HIS 10 -8.415 -10.707 -15.114 223 HE2 HIS 10 HE2 HIS 10 -7.724 -12.409 -13.366 224 H LEU 11 H LEU 11 -1.785 -8.698 -11.671 225 HA LEU 11 HA LEU 11 -1.137 -6.258 -13.053 226 HB2 LEU 11 1HB LEU 11 -1.237 -7.079 -10.428 227 HB3 LEU 11 2HB LEU 11 0.513 -6.929 -10.705 228 HG LEU 11 HG LEU 11 -1.661 -4.846 -11.270 229 HD11 LEU 11 1HD1 LEU 11 0.240 -5.166 -8.948 230 HD12 LEU 11 2HD1 LEU 11 -1.537 -5.207 -8.957 231 HD13 LEU 11 3HD1 LEU 11 -0.665 -3.705 -9.315 232 HD21 LEU 11 3HD2 LEU 11 1.378 -4.654 -11.399 233 HD22 LEU 11 1HD2 LEU 11 0.261 -3.272 -11.404 234 HD23 LEU 11 2HD2 LEU 11 0.198 -4.487 -12.697 235 H VAL 12 H VAL 12 0.857 -9.064 -11.928 236 HA VAL 12 HA VAL 12 3.256 -8.070 -12.984 237 HB VAL 12 HB VAL 12 3.467 -9.781 -11.298 238 HG11 VAL 12 1HG1 VAL 12 2.386 -12.045 -11.447 239 HG12 VAL 12 2HG1 VAL 12 1.275 -10.695 -11.285 240 HG13 VAL 12 3HG1 VAL 12 1.488 -11.488 -12.862 241 HG21 VAL 12 3HG2 VAL 12 5.017 -10.151 -13.246 242 HG22 VAL 12 1HG2 VAL 12 4.695 -11.614 -12.275 243 HG23 VAL 12 2HG2 VAL 12 3.916 -11.401 -13.832 244 H GLU 13 H GLU 13 0.692 -10.155 -14.383 245 HA GLU 13 HA GLU 13 2.120 -10.717 -16.837 246 HB2 GLU 13 1HB GLU 13 -0.879 -10.596 -16.132 247 HB3 GLU 13 2HB GLU 13 -0.280 -11.040 -17.740 248 HG2 GLU 13 1HG GLU 13 0.807 -13.024 -16.941 249 HG3 GLU 13 2HG GLU 13 0.559 -12.504 -15.264 250 HE2 GLU 13 HE2 GLU 13 -1.844 -14.852 -15.733 251 H ALA 14 H ALA 14 -0.120 -8.077 -15.882 252 HA ALA 14 HA ALA 14 -0.163 -6.929 -18.515 253 HB1 ALA 14 3HB ALA 14 -1.031 -4.913 -17.372 254 HB2 ALA 14 1HB ALA 14 -1.783 -6.378 -16.695 255 HB3 ALA 14 2HB ALA 14 -0.507 -5.514 -15.814 256 H LEU 15 H LEU 15 1.934 -6.333 -15.655 257 HA LEU 15 HA LEU 15 3.429 -4.235 -16.850 258 HB2 LEU 15 1HB LEU 15 4.216 -6.225 -14.687 259 HB3 LEU 15 2HB LEU 15 5.211 -4.829 -15.224 260 HG LEU 15 HG LEU 15 2.434 -4.725 -13.977 261 HD11 LEU 15 1HD1 LEU 15 4.302 -5.243 -12.414 262 HD12 LEU 15 2HD1 LEU 15 3.551 -3.657 -12.084 263 HD13 LEU 15 3HD1 LEU 15 5.125 -3.760 -12.886 264 HD21 LEU 15 3HD2 LEU 15 2.668 -2.941 -15.578 265 HD22 LEU 15 1HD2 LEU 15 4.217 -2.462 -14.892 266 HD23 LEU 15 2HD2 LEU 15 2.748 -2.295 -13.962 267 H TYR 16 H TYR 16 3.973 -7.788 -16.991 268 HA TYR 16 HA TYR 16 6.498 -7.524 -18.339 269 HB2 TYR 16 1HB TYR 16 5.865 -9.612 -17.326 270 HB3 TYR 16 2HB TYR 16 4.414 -9.760 -18.372 271 HD1 TYR 16 HD1 TYR 16 8.087 -9.911 -18.308 272 HD2 TYR 16 HD2 TYR 16 4.512 -10.512 -20.574 273 HE1 TYR 16 HE1 TYR 16 9.416 -11.138 -20.057 274 HE2 TYR 16 HE2 TYR 16 5.835 -11.751 -22.350 275 HH TYR 16 HH TYR 16 7.951 -12.288 -23.069 276 H LEU 17 H LEU 17 3.065 -7.837 -19.526 277 HA LEU 17 HA LEU 17 3.853 -7.860 -22.319 278 HB2 LEU 17 1HB LEU 17 1.292 -7.056 -20.894 279 HB3 LEU 17 2HB LEU 17 1.495 -7.035 -22.658 280 HG LEU 17 HG LEU 17 1.885 -9.504 -20.891 281 HD11 LEU 17 1HD1 LEU 17 -0.402 -8.629 -20.799 282 HD12 LEU 17 2HD1 LEU 17 -0.337 -10.149 -21.719 283 HD13 LEU 17 3HD1 LEU 17 -0.490 -8.597 -22.595 284 HD21 LEU 17 3HD2 LEU 17 3.090 -9.718 -22.983 285 HD22 LEU 17 1HD2 LEU 17 1.658 -9.204 -23.912 286 HD23 LEU 17 2HD2 LEU 17 1.627 -10.726 -23.009 287 H VAL 18 H VAL 18 2.936 -5.099 -20.169 288 HA VAL 18 HA VAL 18 3.072 -3.283 -22.380 289 HB VAL 18 HB VAL 18 1.739 -2.911 -20.211 290 HG11 VAL 18 1HG1 VAL 18 4.374 -1.842 -19.173 291 HG12 VAL 18 2HG1 VAL 18 2.787 -1.703 -18.421 292 HG13 VAL 18 3HG1 VAL 18 3.552 -3.355 -18.626 293 HG21 VAL 18 3HG2 VAL 18 3.487 -0.657 -21.298 294 HG22 VAL 18 1HG2 VAL 18 1.951 -1.206 -21.982 295 HG23 VAL 18 2HG2 VAL 18 2.009 -0.437 -20.389 296 H CYS 19 H CYS 19 5.505 -4.526 -20.143 297 HA CYS 19 HA CYS 19 7.357 -2.379 -21.033 298 HB2 CYS 19 1HB CYS 19 7.157 -3.725 -18.676 299 HB3 CYS 19 2HB CYS 19 8.404 -4.687 -19.470 300 H GLY 20 H GLY 20 6.618 -5.717 -21.810 301 HA2 GLY 20 1HA GLY 20 7.303 -6.611 -23.885 302 HA3 GLY 20 2HA GLY 20 8.774 -5.650 -23.838 303 H GLU 21 H GLU 21 10.475 -6.299 -22.324 304 HA GLU 21 HA GLU 21 10.207 -9.187 -21.488 305 HB2 GLU 21 1HB GLU 21 12.438 -7.963 -23.169 306 HB3 GLU 21 2HB GLU 21 12.461 -9.601 -22.410 307 HG2 GLU 21 1HG GLU 21 10.494 -10.204 -23.782 308 HG3 GLU 21 2HG GLU 21 10.522 -8.575 -24.501 309 HE2 GLU 21 HE2 GLU 21 12.231 -10.534 -26.812 310 H ARG 22 H ARG 22 11.744 -6.075 -20.860 311 HA ARG 22 HA ARG 22 13.682 -7.157 -19.071 312 HB2 ARG 22 1HB ARG 22 12.540 -4.336 -19.242 313 HB3 ARG 22 2HB ARG 22 13.998 -4.832 -18.285 314 HG2 ARG 22 1HG ARG 22 15.069 -5.622 -20.447 315 HG3 ARG 22 2HG ARG 22 13.702 -4.927 -21.334 316 HD2 ARG 22 1HD ARG 22 15.496 -3.320 -21.332 317 HD3 ARG 22 2HD ARG 22 14.150 -2.747 -20.261 318 HE ARG 22 HE ARG 22 15.983 -4.129 -18.650 319 HH11 ARG 22 1HH1 ARG 22 16.024 -1.229 -20.607 320 HH12 ARG 22 2HH1 ARG 22 17.214 -0.462 -19.589 321 HH21 ARG 22 1HH2 ARG 22 17.486 -3.083 -17.382 322 HH22 ARG 22 2HH2 ARG 22 18.031 -1.487 -17.814 323 H GLY 23 H GLY 23 10.307 -6.691 -18.829 324 HA2 GLY 23 1HA GLY 23 8.931 -7.141 -16.967 325 HA3 GLY 23 2HA GLY 23 10.386 -7.648 -16.062 326 H PHE 24 H PHE 24 9.517 -6.588 -14.191 327 HA PHE 24 HA PHE 24 9.957 -3.643 -14.237 328 HB2 PHE 24 1HB PHE 24 8.001 -3.435 -12.704 329 HB3 PHE 24 2HB PHE 24 7.545 -3.983 -14.290 330 HD1 PHE 24 HD1 PHE 24 6.926 -6.408 -14.618 331 HD2 PHE 24 HD2 PHE 24 7.724 -4.809 -10.706 332 HE1 PHE 24 HE1 PHE 24 5.824 -8.361 -13.551 333 HE2 PHE 24 HE2 PHE 24 6.543 -6.780 -9.669 334 HZ PHE 24 HZ PHE 24 5.631 -8.563 -11.088 335 H PHE 25 H PHE 25 9.922 -3.007 -11.743 336 HA PHE 25 HA PHE 25 11.373 -5.128 -10.190 337 HB2 PHE 25 1HB PHE 25 13.033 -3.535 -10.887 338 HB3 PHE 25 2HB PHE 25 11.968 -2.192 -10.457 339 HD1 PHE 25 HD2 PHE 25 12.577 -5.192 -8.231 340 HD2 PHE 25 HD1 PHE 25 13.455 -1.023 -9.074 341 HE1 PHE 25 HE2 PHE 25 13.611 -4.989 -5.984 342 HE2 PHE 25 HE1 PHE 25 14.489 -0.822 -6.770 343 HZ PHE 25 HZ PHE 25 14.498 -2.725 -5.209 344 H NVA 26 H ARX 26 10.099 -5.810 -8.804 345 HA NVA 26 HA ARX 26 8.660 -3.972 -6.902 346 HB2 NVA 26 1HB ARX 26 6.903 -5.218 -8.042 347 HB3 NVA 26 2HB ARX 26 7.769 -6.731 -7.906 348 HG2 NVA 26 1HG ARX 26 7.481 -6.626 -5.369 349 HG3 NVA 26 2HG ARX 26 6.539 -5.102 -5.617 350 HD2 NVA 26 1HD ARX 26 4.704 -6.401 -6.595 351 HD3 NVA 26 2HD ARX 26 5.735 -7.722 -6.969 352 H THR 27 H THR 27 9.155 -4.231 -4.802 353 HA THR 27 HA THR 27 11.686 -5.511 -4.141 354 HB THR 27 HB THR 27 11.067 -4.480 -1.782 355 HG1 THR 27 HG1 THR 27 9.276 -3.264 -1.685 356 HG21 THR 27 1HG2 THR 27 12.492 -3.428 -3.558 357 HG22 THR 27 2HG2 THR 27 11.553 -2.193 -2.665 358 HG23 THR 27 3HG2 THR 27 11.037 -2.670 -4.257 359 HA PRO 28 HA PRO 28 10.089 -9.301 -3.079 360 HB2 PRO 28 1HB PRO 28 11.057 -10.089 -0.596 361 HB3 PRO 28 2HB PRO 28 12.058 -10.002 -2.033 362 HG2 PRO 28 1HG PRO 28 11.700 -7.956 0.116 363 HG3 PRO 28 2HG PRO 28 13.205 -8.627 -0.588 364 HD2 PRO 28 1HD PRO 28 12.262 -6.238 -1.400 365 HD3 PRO 28 2HD PRO 28 12.925 -7.365 -2.624 366 H HIX 29 H HIX 29 7.969 -9.723 -2.779 367 HA HIX 29 HA HIX 29 6.308 -8.508 -0.723 368 HB1 HIX 29 1HB HIX 29 5.647 -10.885 -2.553 369 HB2 HIX 29 2HB HIX 29 4.514 -10.125 -1.439 370 HD2 HIX 29 HD2 HIX 29 6.712 -9.173 -4.648 371 HD1 HIX 29 HD1 HIX 29 3.322 -7.797 -2.519 372 H THR 30 H THR 30 6.716 -8.818 1.285 373 HA THR 30 HA THR 30 6.616 -11.538 2.518 374 HB THR 30 HB THR 30 8.754 -9.541 3.381 375 HG1 THR 30 HG1 THR 30 8.959 -9.942 1.106 376 HG21 THR 30 1HG2 THR 30 8.271 -11.540 4.788 377 HG22 THR 30 2HG2 THR 30 9.917 -11.657 4.092 378 HG23 THR 30 3HG2 THR 30 8.555 -12.628 3.439 379 HXT THR 30 H02 THR 30 5.576 -8.389 4.438 Start of MODEL 16 1 H1 GLY 1 2H0 GLY 1 1.167 1.337 -0.124 2 H2 GLY 1 1H0 GLY 1 2.175 0.205 -0.755 3 HA2 GLY 1 1HA GLY 1 0.239 -1.079 -0.832 4 HA3 GLY 1 2HA GLY 1 -0.759 0.346 -0.687 5 H ILE 2 H ILE 2 1.699 -0.108 -3.034 6 HA ILE 2 HA ILE 2 0.183 1.007 -5.084 7 HB ILE 2 HB ILE 2 2.732 0.840 -4.915 8 HG12 ILE 2 1HG1 ILE 2 3.115 0.799 -7.384 9 HG13 ILE 2 2HG1 ILE 2 1.407 0.209 -7.577 10 HG21 ILE 2 1HG2 ILE 2 2.460 -1.916 -6.218 11 HG22 ILE 2 2HG2 ILE 2 3.990 -1.018 -5.862 12 HG23 ILE 2 3HG2 ILE 2 3.004 -1.589 -4.536 13 HD11 ILE 2 3HD1 ILE 2 0.496 2.257 -6.817 14 HD12 ILE 2 1HD1 ILE 2 2.076 2.810 -6.157 15 HD13 ILE 2 2HD1 ILE 2 1.822 2.686 -7.940 16 H VAL 3 H VAL 3 0.470 -2.414 -4.206 17 HA VAL 3 HA VAL 3 -0.848 -3.453 -6.563 18 HB VAL 3 HB VAL 3 -0.471 -4.631 -3.769 19 HG11 VAL 3 1HG1 VAL 3 -1.675 -5.836 -6.279 20 HG12 VAL 3 2HG1 VAL 3 -1.092 -6.820 -4.899 21 HG13 VAL 3 3HG1 VAL 3 -2.428 -5.720 -4.642 22 HG21 VAL 3 3HG2 VAL 3 0.908 -5.150 -6.420 23 HG22 VAL 3 1HG2 VAL 3 1.632 -4.314 -4.975 24 HG23 VAL 3 2HG2 VAL 3 1.214 -6.065 -4.917 25 H GLU 4 H GLU 4 -1.888 -2.432 -3.303 26 HA GLU 4 HA GLU 4 -4.681 -3.110 -3.622 27 HB2 GLU 4 1HB GLU 4 -3.069 -1.815 -1.607 28 HB3 GLU 4 2HB GLU 4 -4.408 -0.773 -1.950 29 HG2 GLU 4 1HG GLU 4 -5.965 -2.714 -1.584 30 HG3 GLU 4 2HG GLU 4 -4.517 -3.662 -1.047 31 HE2 GLU 4 HE2 GLU 4 -6.865 -1.569 -0.290 32 H GLN 5 H GLN 5 -2.740 -0.169 -4.388 33 HA GLN 5 HA GLN 5 -5.038 1.402 -5.170 34 HB2 GLN 5 1HB GLN 5 -2.098 1.509 -5.865 35 HB3 GLN 5 2HB GLN 5 -3.273 2.674 -6.524 36 HG2 GLN 5 1HG GLN 5 -2.716 2.176 -3.598 37 HG3 GLN 5 2HG GLN 5 -2.110 3.533 -4.537 38 HE21 GLN 5 2HE2 GLN 5 -4.329 2.756 -2.333 39 HE22 GLN 5 1HE2 GLN 5 -5.577 3.921 -2.747 40 H CYS 6 H CYS 6 -2.907 -0.784 -7.094 41 HA CYS 6 HA CYS 6 -4.224 -0.071 -9.524 42 HB2 CYS 6 1HB CYS 6 -1.860 -1.261 -8.923 43 HB3 CYS 6 2HB CYS 6 -2.827 -2.695 -9.183 44 H CYS 7 H CYS 7 -4.880 -2.172 -6.923 45 HA CYS 7 HA CYS 7 -6.757 -3.854 -8.426 46 HB2 CYS 7 1HB CYS 7 -5.431 -4.653 -6.489 47 HB3 CYS 7 2HB CYS 7 -6.292 -3.585 -5.379 48 H THR 8 H THR 8 -7.028 -1.245 -5.950 49 HA THR 8 HA THR 8 -9.948 -1.333 -6.085 50 HB THR 8 HB THR 8 -8.602 -0.710 -3.971 51 HG1 THR 8 HG1 THR 8 -10.528 -0.077 -3.493 52 HG21 THR 8 1HG2 THR 8 -7.923 1.554 -3.702 53 HG22 THR 8 2HG2 THR 8 -8.546 1.995 -5.322 54 HG23 THR 8 3HG2 THR 8 -7.110 0.917 -5.169 55 H SER 9 H SER 9 -7.451 0.543 -7.706 56 HA SER 9 HA SER 9 -9.579 2.088 -9.163 57 HB2 SER 9 1HB SER 9 -7.832 3.302 -7.614 58 HB3 SER 9 2HB SER 9 -6.708 2.902 -8.915 59 HG SER 9 HG SER 9 -7.575 4.915 -9.352 60 H ILE 10 H ILE 10 -8.132 2.849 -11.414 61 HA ILE 10 HA ILE 10 -7.171 0.174 -12.420 62 HB ILE 10 HB ILE 10 -8.919 2.185 -13.980 63 HG12 ILE 10 1HG1 ILE 10 -9.489 -0.672 -13.053 64 HG13 ILE 10 2HG1 ILE 10 -10.145 0.806 -12.256 65 HG21 ILE 10 1HG2 ILE 10 -7.523 -0.464 -14.757 66 HG22 ILE 10 2HG2 ILE 10 -8.802 0.325 -15.705 67 HG23 ILE 10 3HG2 ILE 10 -7.257 1.165 -15.454 68 HD11 ILE 10 3HD1 ILE 10 -10.813 -0.132 -15.062 69 HD12 ILE 10 1HD1 ILE 10 -11.873 -0.162 -13.660 70 HD13 ILE 10 2HD1 ILE 10 -11.373 1.411 -14.348 71 H CYS 11 H CYS 11 -5.121 0.274 -12.735 72 HA CYS 11 HA CYS 11 -3.603 2.626 -13.431 73 HB2 CYS 11 1HB CYS 11 -2.927 -0.301 -13.784 74 HB3 CYS 11 2HB CYS 11 -1.768 1.035 -13.847 75 H SER 12 H SER 12 -3.520 3.619 -15.376 76 HA SER 12 HA SER 12 -4.355 2.102 -17.790 77 HB2 SER 12 1HB SER 12 -3.414 4.987 -17.376 78 HB3 SER 12 2HB SER 12 -3.923 4.291 -18.945 79 HG SER 12 HG SER 12 -5.479 5.436 -17.207 80 H LEU 13 H LEU 13 -2.861 2.438 -19.773 81 HA LEU 13 HA LEU 13 -0.589 0.985 -19.464 82 HB2 LEU 13 1HB LEU 13 -1.398 3.045 -21.501 83 HB3 LEU 13 2HB LEU 13 0.035 2.063 -21.734 84 HG LEU 13 HG LEU 13 -2.728 0.873 -21.288 85 HD11 LEU 13 1HD1 LEU 13 -2.776 2.270 -23.311 86 HD12 LEU 13 2HD1 LEU 13 -2.885 0.534 -23.678 87 HD13 LEU 13 3HD1 LEU 13 -1.342 1.398 -23.997 88 HD21 LEU 13 3HD2 LEU 13 -0.825 -0.645 -20.879 89 HD22 LEU 13 1HD2 LEU 13 -0.145 -0.300 -22.499 90 HD23 LEU 13 2HD2 LEU 13 -1.709 -1.128 -22.317 91 H TYR 14 H TYR 14 -0.786 4.526 -19.329 92 HA TYR 14 HA TYR 14 2.056 5.000 -19.442 93 HB2 TYR 14 1HB TYR 14 0.240 6.911 -17.964 94 HB3 TYR 14 2HB TYR 14 1.459 7.277 -19.232 95 HD1 TYR 14 HD2 TYR 14 0.872 6.530 -21.667 96 HD2 TYR 14 HD1 TYR 14 -1.978 6.758 -18.396 97 HE1 TYR 14 HE2 TYR 14 -1.041 6.629 -23.300 98 HE2 TYR 14 HE1 TYR 14 -3.861 6.816 -20.006 99 HH TYR 14 HH TYR 14 -3.397 6.831 -23.535 100 H GLN 15 H GLN 15 -0.308 4.556 -16.833 101 HA GLN 15 HA GLN 15 1.501 5.235 -14.732 102 HB2 GLN 15 1HB GLN 15 -0.941 3.499 -14.685 103 HB3 GLN 15 2HB GLN 15 -0.125 4.107 -13.289 104 HG2 GLN 15 1HG GLN 15 -0.694 6.462 -14.259 105 HG3 GLN 15 2HG GLN 15 -1.656 5.660 -15.471 106 HE21 GLN 15 2HE2 GLN 15 -1.408 6.363 -12.035 107 HE22 GLN 15 1HE2 GLN 15 -3.058 5.971 -11.664 108 H LEU 16 H LEU 16 0.601 2.238 -16.401 109 HA LEU 16 HA LEU 16 2.177 0.509 -14.749 110 HB2 LEU 16 1HB LEU 16 1.218 0.307 -17.625 111 HB3 LEU 16 2HB LEU 16 1.988 -1.002 -16.703 112 HG LEU 16 HG LEU 16 -0.625 0.321 -15.919 113 HD11 LEU 16 1HD1 LEU 16 -0.753 -0.778 -18.122 114 HD12 LEU 16 2HD1 LEU 16 -1.744 -1.620 -16.890 115 HD13 LEU 16 3HD1 LEU 16 -0.166 -2.304 -17.377 116 HD21 LEU 16 3HD2 LEU 16 0.509 -0.720 -14.097 117 HD22 LEU 16 1HD2 LEU 16 0.706 -2.225 -15.004 118 HD23 LEU 16 2HD2 LEU 16 -0.897 -1.701 -14.586 119 H GLU 17 H GLU 17 2.863 2.363 -17.685 120 HA GLU 17 HA GLU 17 5.519 1.359 -18.060 121 HB2 GLU 17 1HB GLU 17 4.255 3.953 -18.952 122 HB3 GLU 17 2HB GLU 17 5.869 3.464 -19.392 123 HG2 GLU 17 1HG GLU 17 3.827 1.402 -19.979 124 HG3 GLU 17 2HG GLU 17 3.546 2.949 -20.823 125 HE2 GLU 17 HE2 GLU 17 6.162 0.953 -20.027 126 H ASN 18 H ASN 18 4.251 3.881 -15.865 127 HA ASN 18 HA ASN 18 6.873 4.963 -15.204 128 HB2 ASN 18 1HB ASN 18 4.242 4.875 -13.651 129 HB3 ASN 18 2HB ASN 18 5.745 5.657 -13.112 130 HD21 ASN 18 2HD2 ASN 18 2.968 6.464 -13.977 131 HD22 ASN 18 1HD2 ASN 18 3.199 7.800 -15.046 132 H TYR 19 H TYR 19 5.379 1.892 -14.424 133 HA TYR 19 HA TYR 19 6.928 1.552 -11.999 134 HB2 TYR 19 1HB TYR 19 5.269 -0.493 -13.573 135 HB3 TYR 19 2HB TYR 19 6.007 -0.730 -11.994 136 HD1 TYR 19 HD1 TYR 19 5.241 2.239 -10.940 137 HD2 TYR 19 HD2 TYR 19 3.045 -0.926 -12.853 138 HE1 TYR 19 HE1 TYR 19 3.109 3.085 -9.985 139 HE2 TYR 19 HE2 TYR 19 0.919 -0.023 -11.882 140 HH TYR 19 HH TYR 19 -0.002 1.494 -10.537 141 H CYS 20 H CYS 20 7.729 1.633 -15.143 142 HA CYS 20 HA CYS 20 9.721 -0.575 -15.061 143 HB2 CYS 20 1HB CYS 20 8.488 0.853 -17.451 144 HB3 CYS 20 2HB CYS 20 9.550 -0.558 -17.499 145 H ASN 21 H ASN 21 11.468 0.294 -16.979 146 HA ASN 21 HA ASN 21 12.255 3.032 -16.074 147 HB2 ASN 21 1HB ASN 21 14.011 1.286 -15.909 148 HB3 ASN 21 2HB ASN 21 13.864 0.921 -17.661 149 HD21 ASN 21 2HD2 ASN 21 15.712 1.589 -18.437 150 HD22 ASN 21 1HD2 ASN 21 16.341 3.209 -18.335 151 HXT ASN 21 H02 ASN 21 11.170 4.363 -18.848 152 H1 PHE 1 2H0 PHE 1 -4.287 -4.619 -25.872 153 H2 PHE 1 1H0 PHE 1 -5.901 -4.802 -25.900 154 HA PHE 1 HA PHE 1 -4.988 -4.929 -23.593 155 HB2 PHE 1 1HB PHE 1 -3.163 -3.172 -24.325 156 HB3 PHE 1 2HB PHE 1 -4.423 -1.994 -23.883 157 HD1 PHE 1 HD2 PHE 1 -2.424 -4.840 -22.542 158 HD2 PHE 1 HD1 PHE 1 -4.880 -1.433 -21.683 159 HE1 PHE 1 HE2 PHE 1 -1.682 -4.968 -20.201 160 HE2 PHE 1 HE1 PHE 1 -4.215 -1.581 -19.311 161 HZ PHE 1 HZ PHE 1 -2.631 -3.337 -18.546 162 H VAL 2 H VAL 2 -6.320 -4.483 -21.883 163 HA VAL 2 HA VAL 2 -8.462 -2.466 -22.344 164 HB VAL 2 HB VAL 2 -9.358 -4.685 -22.944 165 HG11 VAL 2 1HG1 VAL 2 -9.684 -6.430 -21.173 166 HG12 VAL 2 2HG1 VAL 2 -8.010 -6.178 -21.645 167 HG13 VAL 2 3HG1 VAL 2 -8.584 -5.498 -20.123 168 HG21 VAL 2 3HG2 VAL 2 -11.385 -4.673 -21.519 169 HG22 VAL 2 1HG2 VAL 2 -10.526 -3.595 -20.361 170 HG23 VAL 2 2HG2 VAL 2 -10.868 -3.069 -22.007 171 H ASN 3 H ASN 3 -8.607 -1.050 -20.739 172 HA ASN 3 HA ASN 3 -6.873 -1.234 -18.445 173 HB2 ASN 3 1HB ASN 3 -9.032 0.738 -19.290 174 HB3 ASN 3 2HB ASN 3 -8.182 0.869 -17.774 175 HD21 ASN 3 2HD2 ASN 3 -8.165 2.746 -19.969 176 HD22 ASN 3 1HD2 ASN 3 -6.501 2.877 -20.480 177 H GLN 4 H GLN 4 -7.411 -2.811 -16.867 178 HA GLN 4 HA GLN 4 -10.149 -2.545 -15.716 179 HB2 GLN 4 1HB GLN 4 -8.689 -5.200 -16.233 180 HB3 GLN 4 2HB GLN 4 -10.245 -4.973 -15.420 181 HG2 GLN 4 1HG GLN 4 -11.074 -4.007 -17.582 182 HG3 GLN 4 2HG GLN 4 -9.576 -4.594 -18.333 183 HE21 GLN 4 2HE2 GLN 4 -9.176 -6.862 -18.313 184 HE22 GLN 4 1HE2 GLN 4 -10.521 -7.965 -18.252 185 H HIS 5 H HIS 5 -10.162 -3.575 -13.488 186 HA HIS 5 HA HIS 5 -8.080 -2.582 -11.824 187 HB2 HIS 5 1HB HIS 5 -10.263 -4.680 -11.377 188 HB3 HIS 5 2HB HIS 5 -9.169 -4.083 -10.120 189 HD1 HIS 5 HD1 HIS 5 -9.311 -1.305 -9.786 190 HD2 HIS 5 HD2 HIS 5 -12.543 -3.128 -11.716 191 HE1 HIS 5 HE1 HIS 5 -11.195 0.345 -9.664 192 HE2 HIS 5 HE2 HIS 5 -13.222 -0.774 -10.817 193 H LEU 6 H LEU 6 -6.213 -3.562 -10.987 194 HA LEU 6 HA LEU 6 -5.615 -6.338 -11.944 195 HB2 LEU 6 1HB LEU 6 -3.569 -4.190 -11.555 196 HB3 LEU 6 2HB LEU 6 -3.395 -5.767 -12.275 197 HG LEU 6 HG LEU 6 -4.820 -3.398 -13.464 198 HD11 LEU 6 1HD1 LEU 6 -2.910 -3.427 -15.058 199 HD12 LEU 6 2HD1 LEU 6 -2.222 -4.805 -14.168 200 HD13 LEU 6 3HD1 LEU 6 -2.360 -3.197 -13.386 201 HD21 LEU 6 3HD2 LEU 6 -4.997 -4.647 -15.549 202 HD22 LEU 6 1HD2 LEU 6 -5.870 -5.543 -14.299 203 HD23 LEU 6 2HD2 LEU 6 -4.244 -6.053 -14.804 204 H CYS 7 H CYS 7 -5.773 -7.572 -10.126 205 HA CYS 7 HA CYS 7 -4.264 -6.631 -7.709 206 HB2 CYS 7 1HB CYS 7 -6.445 -8.750 -7.662 207 HB3 CYS 7 2HB CYS 7 -5.887 -7.711 -6.307 208 H GLY 8 H GLY 8 -2.965 -8.291 -6.687 209 HA2 GLY 8 1HA GLY 8 -1.570 -10.123 -6.701 210 HA3 GLY 8 2HA GLY 8 -2.919 -10.999 -7.389 211 H SER 9 H SER 9 -2.176 -12.232 -8.908 212 HA SER 9 HA SER 9 0.178 -11.699 -10.373 213 HB2 SER 9 1HB SER 9 -0.779 -13.928 -9.925 214 HB3 SER 9 2HB SER 9 -2.194 -13.570 -10.980 215 HG SER 9 HG SER 9 -0.062 -14.793 -11.707 216 H HIS 10 H HIS 10 -2.888 -10.220 -10.955 217 HA HIS 10 HA HIS 10 -2.725 -10.154 -13.862 218 HB2 HIS 10 1HB HIS 10 -4.345 -8.574 -11.805 219 HB3 HIS 10 2HB HIS 10 -4.249 -8.042 -13.507 220 HD1 HIS 10 HD1 HIS 10 -6.230 -8.744 -14.805 221 HD2 HIS 10 HD2 HIS 10 -5.116 -11.650 -12.014 222 HE1 HIS 10 HE1 HIS 10 -7.924 -10.645 -15.044 223 HE2 HIS 10 HE2 HIS 10 -7.140 -12.413 -13.384 224 H LEU 11 H LEU 11 -1.105 -8.527 -11.214 225 HA LEU 11 HA LEU 11 -0.464 -6.121 -12.807 226 HB2 LEU 11 1HB LEU 11 0.462 -7.294 -10.198 227 HB3 LEU 11 2HB LEU 11 1.475 -6.068 -10.961 228 HG LEU 11 HG LEU 11 -1.082 -4.904 -10.939 229 HD11 LEU 11 1HD1 LEU 11 -1.691 -4.956 -8.590 230 HD12 LEU 11 2HD1 LEU 11 -0.415 -6.144 -8.283 231 HD13 LEU 11 3HD1 LEU 11 -1.825 -6.590 -9.303 232 HD21 LEU 11 3HD2 LEU 11 0.992 -3.699 -10.640 233 HD22 LEU 11 1HD2 LEU 11 1.267 -4.487 -9.100 234 HD23 LEU 11 2HD2 LEU 11 -0.059 -3.420 -9.281 235 H VAL 12 H VAL 12 1.444 -9.028 -11.880 236 HA VAL 12 HA VAL 12 3.755 -8.270 -13.324 237 HB VAL 12 HB VAL 12 4.136 -9.992 -11.722 238 HG11 VAL 12 1HG1 VAL 12 1.846 -11.586 -12.894 239 HG12 VAL 12 2HG1 VAL 12 2.971 -12.170 -11.611 240 HG13 VAL 12 3HG1 VAL 12 1.901 -10.808 -11.340 241 HG21 VAL 12 3HG2 VAL 12 5.204 -11.830 -12.904 242 HG22 VAL 12 1HG2 VAL 12 4.059 -11.670 -14.262 243 HG23 VAL 12 2HG2 VAL 12 5.302 -10.407 -13.953 244 H GLU 13 H GLU 13 0.866 -10.164 -14.239 245 HA GLU 13 HA GLU 13 1.742 -10.785 -16.880 246 HB2 GLU 13 1HB GLU 13 -0.965 -10.475 -15.705 247 HB3 GLU 13 2HB GLU 13 -0.795 -10.846 -17.371 248 HG2 GLU 13 1HG GLU 13 0.625 -12.548 -15.328 249 HG3 GLU 13 2HG GLU 13 -1.146 -12.758 -15.591 250 HE2 GLU 13 HE2 GLU 13 0.941 -13.310 -18.918 251 H ALA 14 H ALA 14 -0.144 -7.973 -15.684 252 HA ALA 14 HA ALA 14 -0.475 -6.897 -18.272 253 HB1 ALA 14 3HB ALA 14 -0.754 -4.722 -17.076 254 HB2 ALA 14 1HB ALA 14 -1.774 -6.075 -16.472 255 HB3 ALA 14 2HB ALA 14 -0.359 -5.578 -15.558 256 H LEU 15 H LEU 15 2.065 -6.418 -15.814 257 HA LEU 15 HA LEU 15 3.495 -4.440 -17.318 258 HB2 LEU 15 1HB LEU 15 4.318 -6.210 -14.975 259 HB3 LEU 15 2HB LEU 15 5.308 -4.893 -15.651 260 HG LEU 15 HG LEU 15 2.537 -4.475 -14.517 261 HD11 LEU 15 1HD1 LEU 15 4.192 -5.185 -12.738 262 HD12 LEU 15 2HD1 LEU 15 3.664 -3.513 -12.503 263 HD13 LEU 15 3HD1 LEU 15 5.209 -3.849 -13.200 264 HD21 LEU 15 3HD2 LEU 15 3.075 -2.119 -14.655 265 HD22 LEU 15 1HD2 LEU 15 3.216 -2.846 -16.224 266 HD23 LEU 15 2HD2 LEU 15 4.678 -2.528 -15.290 267 H TYR 16 H TYR 16 3.733 -7.929 -17.226 268 HA TYR 16 HA TYR 16 6.091 -8.190 -18.771 269 HB2 TYR 16 1HB TYR 16 5.298 -10.142 -17.725 270 HB3 TYR 16 2HB TYR 16 3.633 -9.935 -18.357 271 HD1 TYR 16 HD1 TYR 16 7.134 -10.760 -19.279 272 HD2 TYR 16 HD2 TYR 16 3.012 -10.775 -20.486 273 HE1 TYR 16 HE1 TYR 16 7.733 -12.254 -21.300 274 HE2 TYR 16 HE2 TYR 16 3.583 -12.230 -22.451 275 HH TYR 16 HH TYR 16 5.172 -13.451 -23.533 276 H LEU 17 H LEU 17 2.622 -7.779 -19.561 277 HA LEU 17 HA LEU 17 3.014 -7.939 -22.410 278 HB2 LEU 17 1HB LEU 17 0.839 -6.656 -20.738 279 HB3 LEU 17 2HB LEU 17 0.818 -6.717 -22.551 280 HG LEU 17 HG LEU 17 0.783 -9.102 -20.654 281 HD11 LEU 17 1HD1 LEU 17 -1.494 -7.748 -22.144 282 HD12 LEU 17 2HD1 LEU 17 -1.220 -7.651 -20.374 283 HD13 LEU 17 3HD1 LEU 17 -1.609 -9.231 -21.091 284 HD21 LEU 17 3HD2 LEU 17 -0.052 -10.304 -22.690 285 HD22 LEU 17 1HD2 LEU 17 1.630 -9.719 -22.881 286 HD23 LEU 17 2HD2 LEU 17 0.270 -8.806 -23.659 287 H VAL 18 H VAL 18 2.867 -5.045 -20.274 288 HA VAL 18 HA VAL 18 3.109 -3.381 -22.675 289 HB VAL 18 HB VAL 18 1.686 -2.870 -20.600 290 HG11 VAL 18 1HG1 VAL 18 2.504 -2.096 -18.598 291 HG12 VAL 18 2HG1 VAL 18 3.758 -3.282 -18.994 292 HG13 VAL 18 3HG1 VAL 18 4.043 -1.548 -19.227 293 HG21 VAL 18 3HG2 VAL 18 2.079 -1.222 -22.310 294 HG22 VAL 18 1HG2 VAL 18 1.972 -0.479 -20.743 295 HG23 VAL 18 2HG2 VAL 18 3.567 -0.696 -21.479 296 H CYS 19 H CYS 19 5.331 -4.435 -20.094 297 HA CYS 19 HA CYS 19 7.435 -2.726 -21.376 298 HB2 CYS 19 1HB CYS 19 7.303 -3.735 -18.503 299 HB3 CYS 19 2HB CYS 19 8.661 -2.888 -19.245 300 H GLY 20 H GLY 20 6.783 -5.889 -19.877 301 HA2 GLY 20 1HA GLY 20 7.835 -7.896 -20.189 302 HA3 GLY 20 2HA GLY 20 8.116 -7.320 -21.821 303 H GLU 21 H GLU 21 10.082 -7.095 -22.509 304 HA GLU 21 HA GLU 21 12.331 -8.123 -21.181 305 HB2 GLU 21 1HB GLU 21 12.119 -6.204 -23.535 306 HB3 GLU 21 2HB GLU 21 13.637 -6.917 -22.966 307 HG2 GLU 21 1HG GLU 21 11.345 -8.704 -23.725 308 HG3 GLU 21 2HG GLU 21 12.434 -8.041 -24.976 309 HE2 GLU 21 HE2 GLU 21 11.791 -10.474 -23.258 310 H ARG 22 H ARG 22 11.048 -4.828 -21.208 311 HA ARG 22 HA ARG 22 13.453 -3.624 -20.135 312 HB2 ARG 22 1HB ARG 22 10.574 -2.578 -20.142 313 HB3 ARG 22 2HB ARG 22 12.065 -1.647 -19.851 314 HG2 ARG 22 1HG ARG 22 12.730 -2.273 -22.215 315 HG3 ARG 22 2HG ARG 22 11.169 -3.040 -22.458 316 HD2 ARG 22 1HD ARG 22 10.701 -0.935 -23.287 317 HD3 ARG 22 2HD ARG 22 10.180 -0.767 -21.604 318 HE ARG 22 HE ARG 22 12.868 0.043 -21.689 319 HH11 ARG 22 1HH1 ARG 22 9.921 1.082 -23.284 320 HH12 ARG 22 2HH1 ARG 22 10.468 2.694 -23.569 321 HH21 ARG 22 1HH2 ARG 22 13.599 2.128 -22.072 322 HH22 ARG 22 2HH2 ARG 22 12.605 3.279 -22.908 323 H GLY 23 H GLY 23 10.824 -5.429 -18.799 324 HA2 GLY 23 1HA GLY 23 10.560 -6.179 -16.678 325 HA3 GLY 23 2HA GLY 23 12.110 -5.492 -16.232 326 H PHE 24 H PHE 24 10.561 -5.476 -14.278 327 HA PHE 24 HA PHE 24 9.852 -2.618 -13.760 328 HB2 PHE 24 1HB PHE 24 7.647 -3.233 -12.859 329 HB3 PHE 24 2HB PHE 24 7.683 -3.524 -14.627 330 HD1 PHE 24 HD2 PHE 24 7.577 -5.120 -11.264 331 HD2 PHE 24 HD1 PHE 24 7.517 -5.725 -15.565 332 HE1 PHE 24 HE2 PHE 24 6.797 -7.488 -10.928 333 HE2 PHE 24 HE1 PHE 24 6.733 -8.044 -15.224 334 HZ PHE 24 HZ PHE 24 6.371 -8.927 -12.924 335 H PHE 25 H PHE 25 9.461 -2.394 -11.375 336 HA PHE 25 HA PHE 25 11.207 -4.372 -10.032 337 HB2 PHE 25 1HB PHE 25 12.061 -2.078 -10.190 338 HB3 PHE 25 2HB PHE 25 10.625 -1.469 -9.335 339 HD1 PHE 25 HD2 PHE 25 13.588 -3.760 -8.992 340 HD2 PHE 25 HD1 PHE 25 10.625 -1.326 -6.979 341 HE1 PHE 25 HE2 PHE 25 14.731 -4.135 -6.813 342 HE2 PHE 25 HE1 PHE 25 11.839 -1.619 -4.800 343 HZ PHE 25 HZ PHE 25 13.875 -3.042 -4.723 344 H NVA 26 H ARX 26 10.062 -5.844 -8.917 345 HA NVA 26 HA ARX 26 7.671 -5.066 -7.258 346 HB2 NVA 26 1HB ARX 26 7.267 -7.647 -7.289 347 HB3 NVA 26 2HB ARX 26 7.012 -6.762 -8.740 348 HG2 NVA 26 1HG ARX 26 8.097 -8.960 -9.074 349 HG3 NVA 26 2HG ARX 26 8.929 -7.669 -9.832 350 HD2 NVA 26 1HD ARX 26 10.763 -8.766 -8.994 351 HD3 NVA 26 2HD ARX 26 10.473 -7.673 -7.634 352 H THR 27 H THR 27 10.360 -4.584 -6.426 353 HA THR 27 HA THR 27 11.603 -4.448 -4.497 354 HB THR 27 HB THR 27 10.760 -5.035 -2.347 355 HG1 THR 27 HG1 THR 27 8.994 -6.711 -3.760 356 HG21 THR 27 1HG2 THR 27 8.362 -4.214 -4.036 357 HG22 THR 27 2HG2 THR 27 9.655 -3.098 -3.469 358 HG23 THR 27 3HG2 THR 27 8.624 -3.919 -2.270 359 HA PRO 28 HA PRO 28 13.845 -8.161 -4.716 360 HB2 PRO 28 1HB PRO 28 15.195 -8.698 -2.429 361 HB3 PRO 28 2HB PRO 28 15.535 -7.241 -3.447 362 HG2 PRO 28 1HG PRO 28 13.776 -7.468 -1.022 363 HG3 PRO 28 2HG PRO 28 15.162 -6.327 -1.329 364 HD2 PRO 28 1HD PRO 28 12.565 -5.646 -1.742 365 HD3 PRO 28 2HD PRO 28 13.861 -5.023 -2.806 366 H HIX 29 H HIX 29 13.240 -10.157 -4.879 367 HA HIX 29 HA HIX 29 11.143 -11.346 -3.282 368 HB1 HIX 29 1HB HIX 29 12.662 -12.464 -5.697 369 HB2 HIX 29 2HB HIX 29 11.235 -13.156 -4.975 370 HD2 HIX 29 HD2 HIX 29 12.270 -9.799 -6.797 371 HD1 HIX 29 HD1 HIX 29 8.905 -12.114 -5.768 372 H THR 30 H THR 30 11.947 -11.662 -1.347 373 HA THR 30 HA THR 30 13.445 -14.132 -0.842 374 HB THR 30 HB THR 30 14.572 -12.615 1.131 375 HG1 THR 30 HG1 THR 30 15.307 -10.981 -0.805 376 HG21 THR 30 1HG2 THR 30 15.794 -12.926 -1.661 377 HG22 THR 30 2HG2 THR 30 15.773 -14.245 -0.468 378 HG23 THR 30 3HG2 THR 30 16.672 -12.751 -0.141 379 HXT THR 30 H02 THR 30 11.112 -12.614 1.818 Start of MODEL 17 1 H1 GLY 1 2H0 GLY 1 2.718 -0.103 -0.308 2 H2 GLY 1 1H0 GLY 1 3.117 0.723 -1.662 3 HA2 GLY 1 1HA GLY 1 2.682 -1.607 -2.207 4 HA3 GLY 1 2HA GLY 1 1.094 -1.500 -1.377 5 H ILE 2 H ILE 2 2.877 -0.904 -4.288 6 HA ILE 2 HA ILE 2 0.929 0.659 -5.583 7 HB ILE 2 HB ILE 2 3.424 0.266 -6.218 8 HG12 ILE 2 1HG1 ILE 2 2.967 0.874 -8.599 9 HG13 ILE 2 2HG1 ILE 2 1.233 0.519 -8.354 10 HG21 ILE 2 1HG2 ILE 2 3.287 -2.202 -6.543 11 HG22 ILE 2 2HG2 ILE 2 2.146 -1.982 -7.955 12 HG23 ILE 2 3HG2 ILE 2 3.853 -1.401 -7.982 13 HD11 ILE 2 3HD1 ILE 2 2.462 2.516 -6.472 14 HD12 ILE 2 1HD1 ILE 2 2.175 2.990 -8.157 15 HD13 ILE 2 2HD1 ILE 2 0.822 2.443 -7.179 16 H VAL 3 H VAL 3 1.116 -2.761 -4.999 17 HA VAL 3 HA VAL 3 -0.585 -3.703 -7.064 18 HB VAL 3 HB VAL 3 -0.083 -4.701 -4.222 19 HG11 VAL 3 1HG1 VAL 3 -1.065 -6.813 -4.807 20 HG12 VAL 3 2HG1 VAL 3 -2.276 -5.548 -4.968 21 HG13 VAL 3 3HG1 VAL 3 -1.531 -6.209 -6.426 22 HG21 VAL 3 3HG2 VAL 3 0.960 -5.639 -6.957 23 HG22 VAL 3 1HG2 VAL 3 1.883 -4.836 -5.646 24 HG23 VAL 3 2HG2 VAL 3 1.250 -6.461 -5.428 25 H GLU 4 H GLU 4 -1.438 -2.854 -3.643 26 HA GLU 4 HA GLU 4 -4.180 -3.324 -4.103 27 HB2 GLU 4 1HB GLU 4 -4.667 -2.283 -1.988 28 HB3 GLU 4 2HB GLU 4 -3.228 -3.297 -1.761 29 HG2 GLU 4 1HG GLU 4 -1.854 -1.218 -1.989 30 HG3 GLU 4 2HG GLU 4 -3.334 -0.263 -1.957 31 HE2 GLU 4 HE2 GLU 4 -1.835 -0.880 1.338 32 H GLN 5 H GLN 5 -2.141 -0.447 -4.540 33 HA GLN 5 HA GLN 5 -4.280 1.356 -4.916 34 HB2 GLN 5 1HB GLN 5 -1.746 1.821 -4.611 35 HB3 GLN 5 2HB GLN 5 -1.596 1.399 -6.307 36 HG2 GLN 5 1HG GLN 5 -2.979 3.234 -6.968 37 HG3 GLN 5 2HG GLN 5 -3.439 3.572 -5.274 38 HE21 GLN 5 2HE2 GLN 5 -1.748 4.434 -3.856 39 HE22 GLN 5 1HE2 GLN 5 -0.485 5.353 -4.571 40 H CYS 6 H CYS 6 -2.426 -0.639 -7.277 41 HA CYS 6 HA CYS 6 -3.891 0.317 -9.591 42 HB2 CYS 6 1HB CYS 6 -1.610 -0.778 -9.488 43 HB3 CYS 6 2HB CYS 6 -2.467 -2.342 -9.291 44 H CYS 7 H CYS 7 -4.664 -1.902 -7.108 45 HA CYS 7 HA CYS 7 -6.560 -3.453 -8.726 46 HB2 CYS 7 1HB CYS 7 -5.199 -4.544 -6.987 47 HB3 CYS 7 2HB CYS 7 -5.948 -3.475 -5.754 48 H THR 8 H THR 8 -6.664 -1.189 -5.889 49 HA THR 8 HA THR 8 -9.548 -1.296 -5.821 50 HB THR 8 HB THR 8 -8.026 -0.779 -3.875 51 HG1 THR 8 HG1 THR 8 -10.446 -0.040 -4.367 52 HG21 THR 8 1HG2 THR 8 -7.983 2.076 -5.059 53 HG22 THR 8 2HG2 THR 8 -6.586 0.936 -5.038 54 HG23 THR 8 3HG2 THR 8 -7.286 1.562 -3.505 55 H SER 9 H SER 9 -7.277 0.807 -7.550 56 HA SER 9 HA SER 9 -9.569 2.393 -8.593 57 HB2 SER 9 1HB SER 9 -6.597 2.892 -8.706 58 HB3 SER 9 2HB SER 9 -7.929 4.040 -9.127 59 HG SER 9 HG SER 9 -7.228 4.436 -7.017 60 H ILE 10 H ILE 10 -9.136 3.078 -10.972 61 HA ILE 10 HA ILE 10 -8.602 0.665 -12.556 62 HB ILE 10 HB ILE 10 -9.597 3.448 -13.321 63 HG12 ILE 10 1HG1 ILE 10 -11.186 1.882 -12.174 64 HG13 ILE 10 2HG1 ILE 10 -11.687 2.380 -13.801 65 HG21 ILE 10 1HG2 ILE 10 -8.923 1.069 -15.097 66 HG22 ILE 10 2HG2 ILE 10 -9.987 2.359 -15.606 67 HG23 ILE 10 3HG2 ILE 10 -8.322 2.711 -15.232 68 HD11 ILE 10 3HD1 ILE 10 -10.530 -0.349 -13.087 69 HD12 ILE 10 1HD1 ILE 10 -12.222 0.057 -13.409 70 HD13 ILE 10 2HD1 ILE 10 -11.055 0.173 -14.715 71 H CYS 11 H CYS 11 -6.766 0.173 -13.496 72 HA CYS 11 HA CYS 11 -4.544 2.168 -13.465 73 HB2 CYS 11 1HB CYS 11 -4.813 -0.761 -13.390 74 HB3 CYS 11 2HB CYS 11 -3.571 -0.197 -14.521 75 H SER 12 H SER 12 -3.250 2.462 -15.274 76 HA SER 12 HA SER 12 -4.655 2.136 -17.838 77 HB2 SER 12 1HB SER 12 -3.170 4.582 -17.002 78 HB3 SER 12 2HB SER 12 -4.253 4.427 -18.425 79 HG SER 12 HG SER 12 -5.296 5.471 -16.742 80 H LEU 13 H LEU 13 -3.170 2.436 -19.756 81 HA LEU 13 HA LEU 13 -0.795 0.909 -19.624 82 HB2 LEU 13 1HB LEU 13 -1.742 3.134 -21.480 83 HB3 LEU 13 2HB LEU 13 -0.185 2.385 -21.714 84 HG LEU 13 HG LEU 13 -2.858 0.946 -21.876 85 HD11 LEU 13 1HD1 LEU 13 -2.395 1.002 -24.300 86 HD12 LEU 13 2HD1 LEU 13 -0.977 2.010 -24.037 87 HD13 LEU 13 3HD1 LEU 13 -2.587 2.594 -23.638 88 HD21 LEU 13 3HD2 LEU 13 -1.214 -0.645 -21.274 89 HD22 LEU 13 1HD2 LEU 13 -0.012 0.068 -22.383 90 HD23 LEU 13 2HD2 LEU 13 -1.441 -0.768 -23.006 91 H TYR 14 H TYR 14 -1.120 4.480 -19.384 92 HA TYR 14 HA TYR 14 1.665 4.907 -19.312 93 HB2 TYR 14 1HB TYR 14 0.004 6.807 -17.818 94 HB3 TYR 14 2HB TYR 14 1.157 7.111 -19.137 95 HD1 TYR 14 HD2 TYR 14 0.317 6.451 -21.587 96 HD2 TYR 14 HD1 TYR 14 -2.332 6.907 -18.195 97 HE1 TYR 14 HE2 TYR 14 -1.598 6.698 -23.109 98 HE2 TYR 14 HE1 TYR 14 -4.264 7.065 -19.762 99 HH TYR 14 HH TYR 14 -4.970 7.108 -21.968 100 H GLN 15 H GLN 15 -0.719 4.319 -16.735 101 HA GLN 15 HA GLN 15 0.997 4.969 -14.534 102 HB2 GLN 15 1HB GLN 15 -1.321 2.960 -14.729 103 HB3 GLN 15 2HB GLN 15 -0.582 3.476 -13.236 104 HG2 GLN 15 1HG GLN 15 -1.817 5.563 -15.085 105 HG3 GLN 15 2HG GLN 15 -2.852 4.567 -14.071 106 HE21 GLN 15 2HE2 GLN 15 -3.501 5.743 -12.371 107 HE22 GLN 15 1HE2 GLN 15 -2.440 6.704 -11.406 108 H LEU 16 H LEU 16 0.287 1.945 -16.389 109 HA LEU 16 HA LEU 16 1.947 0.251 -14.772 110 HB2 LEU 16 1HB LEU 16 1.102 0.096 -17.682 111 HB3 LEU 16 2HB LEU 16 1.947 -1.181 -16.803 112 HG LEU 16 HG LEU 16 -0.794 -0.178 -16.069 113 HD11 LEU 16 1HD1 LEU 16 -0.779 -1.208 -18.253 114 HD12 LEU 16 2HD1 LEU 16 -1.521 -2.364 -17.128 115 HD13 LEU 16 3HD1 LEU 16 0.185 -2.600 -17.666 116 HD21 LEU 16 3HD2 LEU 16 -0.972 -2.109 -14.613 117 HD22 LEU 16 1HD2 LEU 16 0.520 -1.279 -14.174 118 HD23 LEU 16 2HD2 LEU 16 0.590 -2.748 -15.162 119 H GLU 17 H GLU 17 2.532 2.107 -17.718 120 HA GLU 17 HA GLU 17 5.230 1.258 -18.198 121 HB2 GLU 17 1HB GLU 17 3.828 3.863 -18.827 122 HB3 GLU 17 2HB GLU 17 5.436 3.553 -19.293 123 HG2 GLU 17 1HG GLU 17 3.484 1.447 -20.145 124 HG3 GLU 17 2HG GLU 17 3.405 3.036 -20.950 125 HE2 GLU 17 HE2 GLU 17 6.596 0.746 -21.536 126 H ASN 18 H ASN 18 3.851 3.797 -16.001 127 HA ASN 18 HA ASN 18 6.411 4.916 -15.435 128 HB2 ASN 18 1HB ASN 18 3.832 4.930 -13.850 129 HB3 ASN 18 2HB ASN 18 5.280 5.807 -13.391 130 HD21 ASN 18 2HD2 ASN 18 2.994 7.143 -13.760 131 HD22 ASN 18 1HD2 ASN 18 3.103 8.150 -15.191 132 H TYR 19 H TYR 19 5.076 1.871 -14.461 133 HA TYR 19 HA TYR 19 6.587 1.776 -11.938 134 HB2 TYR 19 1HB TYR 19 4.982 -0.418 -13.217 135 HB3 TYR 19 2HB TYR 19 5.639 -0.391 -11.586 136 HD1 TYR 19 HD2 TYR 19 4.709 2.684 -11.093 137 HD2 TYR 19 HD1 TYR 19 2.756 -0.881 -12.579 138 HE1 TYR 19 HE2 TYR 19 2.398 3.641 -10.471 139 HE2 TYR 19 HE1 TYR 19 0.513 0.063 -11.910 140 HH TYR 19 HH TYR 19 -0.632 1.948 -11.121 141 H CYS 20 H CYS 20 7.097 1.244 -15.191 142 HA CYS 20 HA CYS 20 8.901 -1.082 -14.824 143 HB2 CYS 20 1HB CYS 20 8.246 0.542 -17.295 144 HB3 CYS 20 2HB CYS 20 9.188 -0.927 -17.270 145 H ASN 21 H ASN 21 11.056 -0.906 -16.044 146 HA ASN 21 HA ASN 21 12.693 1.144 -14.768 147 HB2 ASN 21 1HB ASN 21 13.101 -1.071 -16.808 148 HB3 ASN 21 2HB ASN 21 14.232 0.275 -16.841 149 HD21 ASN 21 2HD2 ASN 21 13.048 -2.482 -14.922 150 HD22 ASN 21 1HD2 ASN 21 14.344 -2.392 -13.831 151 HXT ASN 21 H02 ASN 21 12.800 3.733 -16.761 152 H1 PHE 1 2H0 PHE 1 -6.425 -3.272 -26.274 153 H2 PHE 1 1H0 PHE 1 -5.743 -1.800 -26.263 154 HA PHE 1 HA PHE 1 -5.530 -3.722 -23.964 155 HB2 PHE 1 1HB PHE 1 -3.494 -2.498 -24.397 156 HB3 PHE 1 2HB PHE 1 -4.374 -0.955 -24.357 157 HD1 PHE 1 HD1 PHE 1 -5.532 -0.321 -22.041 158 HD2 PHE 1 HD2 PHE 1 -2.687 -3.499 -22.518 159 HE1 PHE 1 HE1 PHE 1 -5.050 -0.245 -19.615 160 HE2 PHE 1 HE2 PHE 1 -2.210 -3.475 -20.114 161 HZ PHE 1 HZ PHE 1 -3.418 -1.878 -18.628 162 H VAL 2 H VAL 2 -6.709 -3.291 -22.155 163 HA VAL 2 HA VAL 2 -8.749 -1.140 -22.357 164 HB VAL 2 HB VAL 2 -9.889 -3.194 -22.967 165 HG11 VAL 2 1HG1 VAL 2 -8.377 -4.857 -22.059 166 HG12 VAL 2 2HG1 VAL 2 -8.888 -4.403 -20.395 167 HG13 VAL 2 3HG1 VAL 2 -10.101 -5.127 -21.508 168 HG21 VAL 2 3HG2 VAL 2 -11.676 -3.282 -21.345 169 HG22 VAL 2 1HG2 VAL 2 -10.604 -2.595 -20.089 170 HG23 VAL 2 2HG2 VAL 2 -11.073 -1.593 -21.479 171 H ASN 3 H ASN 3 -8.767 0.117 -20.630 172 HA ASN 3 HA ASN 3 -6.999 -0.248 -18.397 173 HB2 ASN 3 1HB ASN 3 -7.964 1.869 -17.632 174 HB3 ASN 3 2HB ASN 3 -7.450 1.923 -19.325 175 HD21 ASN 3 2HD2 ASN 3 -9.622 3.140 -17.407 176 HD22 ASN 3 1HD2 ASN 3 -11.043 3.233 -18.389 177 H GLN 4 H GLN 4 -7.372 -1.478 -16.672 178 HA GLN 4 HA GLN 4 -10.166 -1.956 -15.718 179 HB2 GLN 4 1HB GLN 4 -8.009 -3.995 -16.337 180 HB3 GLN 4 2HB GLN 4 -9.497 -4.368 -15.421 181 HG2 GLN 4 1HG GLN 4 -10.861 -3.752 -17.359 182 HG3 GLN 4 2HG GLN 4 -9.366 -3.395 -18.295 183 HE21 GLN 4 2HE2 GLN 4 -11.552 -5.362 -18.688 184 HE22 GLN 4 1HE2 GLN 4 -10.753 -6.927 -18.780 185 H HIS 5 H HIS 5 -9.979 -3.360 -13.650 186 HA HIS 5 HA HIS 5 -8.012 -2.144 -11.727 187 HB2 HIS 5 1HB HIS 5 -10.374 -4.123 -11.538 188 HB3 HIS 5 2HB HIS 5 -9.339 -3.666 -10.163 189 HD1 HIS 5 HD1 HIS 5 -9.377 -1.060 -9.498 190 HD2 HIS 5 HD2 HIS 5 -12.535 -2.432 -11.919 191 HE1 HIS 5 HE1 HIS 5 -11.237 0.646 -9.281 192 HE2 HIS 5 HE2 HIS 5 -13.115 -0.158 -10.753 193 H LEU 6 H LEU 6 -5.947 -3.105 -11.880 194 HA LEU 6 HA LEU 6 -5.953 -6.039 -12.516 195 HB2 LEU 6 1HB LEU 6 -3.675 -4.012 -12.419 196 HB3 LEU 6 2HB LEU 6 -3.453 -5.727 -12.529 197 HG LEU 6 HG LEU 6 -3.175 -5.431 -14.656 198 HD11 LEU 6 1HD1 LEU 6 -5.175 -5.343 -16.187 199 HD12 LEU 6 2HD1 LEU 6 -6.173 -4.808 -14.811 200 HD13 LEU 6 3HD1 LEU 6 -5.471 -6.433 -14.831 201 HD21 LEU 6 3HD2 LEU 6 -3.597 -3.353 -15.844 202 HD22 LEU 6 1HD2 LEU 6 -2.942 -3.017 -14.315 203 HD23 LEU 6 2HD2 LEU 6 -4.631 -2.781 -14.518 204 H CYS 7 H CYS 7 -6.082 -7.374 -10.963 205 HA CYS 7 HA CYS 7 -4.908 -6.602 -8.312 206 HB2 CYS 7 1HB CYS 7 -7.383 -8.223 -8.977 207 HB3 CYS 7 2HB CYS 7 -6.829 -7.936 -7.342 208 H GLY 8 H GLY 8 -3.978 -8.446 -7.150 209 HA2 GLY 8 1HA GLY 8 -3.012 -10.580 -6.994 210 HA3 GLY 8 2HA GLY 8 -4.219 -11.058 -8.194 211 H SER 9 H SER 9 -2.717 -12.393 -9.332 212 HA SER 9 HA SER 9 -0.129 -11.638 -10.209 213 HB2 SER 9 1HB SER 9 -1.127 -13.945 -10.036 214 HB3 SER 9 2HB SER 9 -1.957 -13.550 -11.563 215 HG SER 9 HG SER 9 0.073 -13.276 -12.547 216 H HIS 10 H HIS 10 -3.163 -10.421 -11.325 217 HA HIS 10 HA HIS 10 -2.547 -10.300 -14.119 218 HB2 HIS 10 1HB HIS 10 -4.346 -8.588 -12.340 219 HB3 HIS 10 2HB HIS 10 -4.129 -8.298 -14.064 220 HD1 HIS 10 HD1 HIS 10 -6.832 -8.927 -14.285 221 HD2 HIS 10 HD2 HIS 10 -4.291 -12.045 -13.090 222 HE1 HIS 10 HE1 HIS 10 -8.129 -11.094 -14.600 223 HE2 HIS 10 HE2 HIS 10 -6.601 -12.963 -13.864 224 H LEU 11 H LEU 11 -1.458 -8.384 -11.320 225 HA LEU 11 HA LEU 11 -0.551 -6.140 -12.910 226 HB2 LEU 11 1HB LEU 11 0.061 -7.229 -10.144 227 HB3 LEU 11 2HB LEU 11 1.248 -6.155 -10.899 228 HG LEU 11 HG LEU 11 -1.332 -4.924 -11.227 229 HD11 LEU 11 1HD1 LEU 11 -2.169 -6.376 -9.504 230 HD12 LEU 11 2HD1 LEU 11 -1.997 -4.724 -8.881 231 HD13 LEU 11 3HD1 LEU 11 -0.785 -5.901 -8.434 232 HD21 LEU 11 3HD2 LEU 11 0.792 -3.789 -11.095 233 HD22 LEU 11 1HD2 LEU 11 1.027 -4.376 -9.407 234 HD23 LEU 11 2HD2 LEU 11 -0.245 -3.225 -9.820 235 H VAL 12 H VAL 12 1.291 -9.118 -11.837 236 HA VAL 12 HA VAL 12 3.672 -8.203 -13.169 237 HB VAL 12 HB VAL 12 4.106 -9.891 -11.494 238 HG11 VAL 12 1HG1 VAL 12 3.020 -11.992 -11.236 239 HG12 VAL 12 2HG1 VAL 12 1.740 -10.753 -11.315 240 HG13 VAL 12 3HG1 VAL 12 2.079 -11.742 -12.733 241 HG21 VAL 12 3HG2 VAL 12 5.315 -10.411 -13.757 242 HG22 VAL 12 1HG2 VAL 12 5.215 -11.763 -12.650 243 HG23 VAL 12 2HG2 VAL 12 4.094 -11.644 -14.003 244 H GLU 13 H GLU 13 0.919 -10.249 -14.195 245 HA GLU 13 HA GLU 13 2.051 -10.867 -16.748 246 HB2 GLU 13 1HB GLU 13 -0.800 -10.595 -15.744 247 HB3 GLU 13 2HB GLU 13 -0.412 -11.070 -17.369 248 HG2 GLU 13 1HG GLU 13 0.891 -12.956 -16.605 249 HG3 GLU 13 2HG GLU 13 0.451 -12.568 -14.917 250 HE2 GLU 13 HE2 GLU 13 -0.983 -12.896 -17.922 251 H ALA 14 H ALA 14 0.072 -7.984 -15.696 252 HA ALA 14 HA ALA 14 -0.153 -7.017 -18.400 253 HB1 ALA 14 3HB ALA 14 -0.921 -4.909 -17.315 254 HB2 ALA 14 1HB ALA 14 -1.700 -6.276 -16.527 255 HB3 ALA 14 2HB ALA 14 -0.305 -5.448 -15.753 256 H LEU 15 H LEU 15 2.176 -6.349 -15.705 257 HA LEU 15 HA LEU 15 3.509 -4.274 -17.138 258 HB2 LEU 15 1HB LEU 15 4.473 -6.133 -14.952 259 HB3 LEU 15 2HB LEU 15 5.365 -4.700 -15.563 260 HG LEU 15 HG LEU 15 2.583 -4.606 -14.343 261 HD11 LEU 15 1HD1 LEU 15 4.270 -5.335 -12.650 262 HD12 LEU 15 2HD1 LEU 15 3.599 -3.756 -12.301 263 HD13 LEU 15 3HD1 LEU 15 5.230 -3.949 -13.038 264 HD21 LEU 15 3HD2 LEU 15 4.546 -2.397 -14.846 265 HD22 LEU 15 1HD2 LEU 15 2.866 -2.248 -14.233 266 HD23 LEU 15 2HD2 LEU 15 3.187 -2.826 -15.934 267 H TYR 16 H TYR 16 3.794 -7.794 -17.073 268 HA TYR 16 HA TYR 16 6.273 -7.964 -18.473 269 HB2 TYR 16 1HB TYR 16 5.296 -9.888 -17.281 270 HB3 TYR 16 2HB TYR 16 3.856 -9.814 -18.291 271 HD1 TYR 16 HD1 TYR 16 7.499 -10.559 -18.373 272 HD2 TYR 16 HD2 TYR 16 3.707 -10.947 -20.378 273 HE1 TYR 16 HE1 TYR 16 8.533 -12.150 -19.946 274 HE2 TYR 16 HE2 TYR 16 4.781 -12.563 -21.987 275 HH TYR 16 HH TYR 16 8.122 -13.683 -21.662 276 H LEU 17 H LEU 17 2.834 -8.033 -19.574 277 HA LEU 17 HA LEU 17 3.536 -8.246 -22.381 278 HB2 LEU 17 1HB LEU 17 1.001 -7.257 -21.023 279 HB3 LEU 17 2HB LEU 17 1.123 -7.494 -22.752 280 HG LEU 17 HG LEU 17 1.445 -9.740 -20.767 281 HD11 LEU 17 1HD1 LEU 17 -0.756 -10.459 -21.418 282 HD12 LEU 17 2HD1 LEU 17 -0.947 -9.030 -22.478 283 HD13 LEU 17 3HD1 LEU 17 -0.811 -8.837 -20.727 284 HD21 LEU 17 3HD2 LEU 17 1.099 -11.200 -22.804 285 HD22 LEU 17 1HD2 LEU 17 2.601 -10.265 -22.869 286 HD23 LEU 17 2HD2 LEU 17 1.229 -9.752 -23.800 287 H VAL 18 H VAL 18 2.954 -5.385 -20.299 288 HA VAL 18 HA VAL 18 2.923 -3.646 -22.613 289 HB VAL 18 HB VAL 18 1.728 -3.310 -20.340 290 HG11 VAL 18 1HG1 VAL 18 3.864 -3.375 -18.997 291 HG12 VAL 18 2HG1 VAL 18 4.265 -1.822 -19.675 292 HG13 VAL 18 3HG1 VAL 18 2.802 -2.024 -18.729 293 HG21 VAL 18 3HG2 VAL 18 1.591 -1.792 -22.191 294 HG22 VAL 18 1HG2 VAL 18 1.622 -0.924 -20.647 295 HG23 VAL 18 2HG2 VAL 18 3.075 -0.964 -21.633 296 H CYS 19 H CYS 19 5.481 -4.676 -20.330 297 HA CYS 19 HA CYS 19 7.318 -2.695 -21.611 298 HB2 CYS 19 1HB CYS 19 7.259 -3.783 -18.835 299 HB3 CYS 19 2HB CYS 19 8.660 -2.934 -19.520 300 H GLY 20 H GLY 20 7.034 -6.121 -20.708 301 HA2 GLY 20 1HA GLY 20 8.264 -7.892 -21.440 302 HA3 GLY 20 2HA GLY 20 8.904 -6.809 -22.673 303 H GLU 21 H GLU 21 11.024 -6.685 -22.684 304 HA GLU 21 HA GLU 21 12.687 -7.701 -20.629 305 HB2 GLU 21 1HB GLU 21 13.207 -5.918 -23.035 306 HB3 GLU 21 2HB GLU 21 14.507 -6.584 -21.979 307 HG2 GLU 21 1HG GLU 21 13.813 -8.906 -22.611 308 HG3 GLU 21 2HG GLU 21 12.517 -8.248 -23.588 309 HE2 GLU 21 HE2 GLU 21 15.100 -8.851 -25.870 310 H ARG 22 H ARG 22 11.562 -4.345 -21.218 311 HA ARG 22 HA ARG 22 13.491 -3.440 -19.190 312 HB2 ARG 22 1HB ARG 22 11.426 -1.928 -20.807 313 HB3 ARG 22 2HB ARG 22 12.664 -1.184 -19.794 314 HG2 ARG 22 1HG ARG 22 13.152 -2.819 -22.323 315 HG3 ARG 22 2HG ARG 22 13.246 -1.082 -22.181 316 HD2 ARG 22 1HD ARG 22 15.076 -3.135 -20.825 317 HD3 ARG 22 2HD ARG 22 15.483 -2.068 -22.164 318 HE ARG 22 HE ARG 22 15.356 -1.382 -19.335 319 HH11 ARG 22 1HH1 ARG 22 15.564 -0.026 -22.564 320 HH12 ARG 22 2HH1 ARG 22 16.067 1.560 -22.011 321 HH21 ARG 22 1HH2 ARG 22 15.956 0.686 -18.664 322 HH22 ARG 22 2HH2 ARG 22 16.268 1.911 -19.864 323 H GLY 23 H GLY 23 11.299 -5.301 -18.490 324 HA2 GLY 23 1HA GLY 23 9.131 -3.950 -17.339 325 HA3 GLY 23 2HA GLY 23 9.640 -5.583 -16.989 326 H PHE 24 H PHE 24 8.665 -5.054 -14.977 327 HA PHE 24 HA PHE 24 9.985 -3.155 -13.185 328 HB2 PHE 24 1HB PHE 24 8.238 -3.774 -11.639 329 HB3 PHE 24 2HB PHE 24 7.502 -3.631 -13.231 330 HD1 PHE 24 HD2 PHE 24 7.040 -5.884 -14.637 331 HD2 PHE 24 HD1 PHE 24 8.058 -5.809 -10.399 332 HE1 PHE 24 HE2 PHE 24 6.225 -8.153 -14.346 333 HE2 PHE 24 HE1 PHE 24 7.225 -8.147 -10.201 334 HZ PHE 24 HZ PHE 24 6.347 -9.339 -12.203 335 H PHE 25 H PHE 25 10.323 -4.150 -10.831 336 HA PHE 25 HA PHE 25 11.648 -6.808 -10.970 337 HB2 PHE 25 1HB PHE 25 13.431 -5.182 -11.504 338 HB3 PHE 25 2HB PHE 25 13.000 -4.229 -10.053 339 HD1 PHE 25 HD1 PHE 25 14.058 -7.673 -11.088 340 HD2 PHE 25 HD2 PHE 25 14.211 -4.575 -8.043 341 HE1 PHE 25 HE1 PHE 25 15.712 -9.041 -9.724 342 HE2 PHE 25 HE2 PHE 25 15.808 -5.917 -6.735 343 HZ PHE 25 HZ PHE 25 16.588 -8.138 -7.530 344 H NVA 26 H ARX 26 10.825 -7.902 -9.206 345 HA NVA 26 HA ARX 26 9.807 -6.418 -6.868 346 HB2 NVA 26 1HB ARX 26 8.058 -7.987 -6.588 347 HB3 NVA 26 2HB ARX 26 8.047 -7.491 -8.250 348 HG2 NVA 26 1HG ARX 26 8.345 -9.709 -8.946 349 HG3 NVA 26 2HG ARX 26 9.642 -9.972 -7.854 350 HD2 NVA 26 1HD ARX 26 7.378 -9.915 -6.140 351 HD3 NVA 26 2HD ARX 26 6.785 -10.682 -7.621 352 H THR 27 H THR 27 12.408 -7.657 -7.385 353 HA THR 27 HA THR 27 14.190 -8.499 -6.271 354 HB THR 27 HB THR 27 14.331 -9.030 -3.951 355 HG1 THR 27 HG1 THR 27 11.476 -9.101 -3.983 356 HG21 THR 27 1HG2 THR 27 12.286 -6.774 -4.100 357 HG22 THR 27 2HG2 THR 27 13.993 -6.578 -4.588 358 HG23 THR 27 3HG2 THR 27 13.612 -7.000 -2.906 359 HA PRO 28 HA PRO 28 13.820 -12.453 -7.690 360 HB2 PRO 28 1HB PRO 28 15.775 -13.930 -6.483 361 HB3 PRO 28 2HB PRO 28 16.064 -12.740 -7.760 362 HG2 PRO 28 1HG PRO 28 16.299 -12.441 -4.780 363 HG3 PRO 28 2HG PRO 28 17.512 -12.027 -6.050 364 HD2 PRO 28 1HD PRO 28 15.910 -10.115 -5.018 365 HD3 PRO 28 2HD PRO 28 16.208 -10.179 -6.782 366 H HIX 29 H HIX 29 12.032 -13.410 -7.217 367 HA HIX 29 HA HIX 29 11.170 -14.514 -4.699 368 HB1 HIX 29 1HB HIX 29 10.102 -15.075 -7.516 369 HB2 HIX 29 2HB HIX 29 9.462 -15.695 -5.974 370 HD2 HIX 29 HD2 HIX 29 9.444 -12.477 -8.167 371 HD1 HIX 29 HD1 HIX 29 8.377 -13.767 -4.302 372 H THR 30 H THR 30 11.738 -16.188 -3.730 373 HA THR 30 HA THR 30 13.495 -17.846 -3.379 374 HB THR 30 HB THR 30 10.882 -19.337 -3.933 375 HG1 THR 30 HG1 THR 30 10.356 -18.437 -1.775 376 HG21 THR 30 1HG2 THR 30 12.832 -20.752 -2.987 377 HG22 THR 30 2HG2 THR 30 11.663 -20.467 -1.735 378 HG23 THR 30 3HG2 THR 30 13.148 -19.485 -1.822 379 HXT THR 30 H02 THR 30 12.889 -19.814 -6.722 Start of MODEL 18 1 H1 GLY 1 2H0 GLY 1 0.358 -1.125 0.321 2 H2 GLY 1 1H0 GLY 1 -0.929 -0.579 -0.492 3 HA2 GLY 1 1HA GLY 1 1.054 0.481 -1.225 4 HA3 GLY 1 2HA GLY 1 1.689 -1.138 -1.676 5 H ILE 2 H ILE 2 2.171 -0.369 -3.747 6 HA ILE 2 HA ILE 2 0.354 0.871 -5.437 7 HB ILE 2 HB ILE 2 2.874 0.692 -5.724 8 HG12 ILE 2 1HG1 ILE 2 2.635 0.706 -8.267 9 HG13 ILE 2 2HG1 ILE 2 0.899 0.404 -7.974 10 HG21 ILE 2 1HG2 ILE 2 3.849 -1.165 -7.020 11 HG22 ILE 2 2HG2 ILE 2 2.974 -1.869 -5.609 12 HG23 ILE 2 3HG2 ILE 2 2.232 -1.898 -7.246 13 HD11 ILE 2 3HD1 ILE 2 2.557 2.784 -6.916 14 HD12 ILE 2 1HD1 ILE 2 1.481 2.861 -8.302 15 HD13 ILE 2 2HD1 ILE 2 0.812 2.583 -6.665 16 H VAL 3 H VAL 3 0.714 -2.465 -4.620 17 HA VAL 3 HA VAL 3 -0.883 -3.608 -6.777 18 HB VAL 3 HB VAL 3 -0.403 -4.429 -3.853 19 HG11 VAL 3 1HG1 VAL 3 -2.411 -5.497 -4.302 20 HG12 VAL 3 2HG1 VAL 3 -2.060 -5.752 -6.011 21 HG13 VAL 3 3HG1 VAL 3 -1.255 -6.743 -4.803 22 HG21 VAL 3 3HG2 VAL 3 1.621 -4.542 -5.125 23 HG22 VAL 3 1HG2 VAL 3 1.049 -6.205 -4.939 24 HG23 VAL 3 2HG2 VAL 3 0.821 -5.365 -6.482 25 H GLU 4 H GLU 4 -1.741 -2.376 -3.528 26 HA GLU 4 HA GLU 4 -4.500 -2.924 -3.796 27 HB2 GLU 4 1HB GLU 4 -3.174 -2.464 -1.672 28 HB3 GLU 4 2HB GLU 4 -3.177 -0.787 -2.092 29 HG2 GLU 4 1HG GLU 4 -5.672 -0.763 -2.013 30 HG3 GLU 4 2HG GLU 4 -5.614 -2.505 -1.643 31 HE2 GLU 4 HE2 GLU 4 -5.678 -1.735 1.600 32 H GLN 5 H GLN 5 -2.539 -0.058 -4.706 33 HA GLN 5 HA GLN 5 -4.773 1.616 -5.350 34 HB2 GLN 5 1HB GLN 5 -1.932 1.661 -6.358 35 HB3 GLN 5 2HB GLN 5 -3.110 2.954 -6.555 36 HG2 GLN 5 1HG GLN 5 -3.247 3.168 -4.036 37 HG3 GLN 5 2HG GLN 5 -1.886 2.046 -3.881 38 HE21 GLN 5 2HE2 GLN 5 -1.476 4.476 -2.788 39 HE22 GLN 5 1HE2 GLN 5 -0.425 5.452 -3.793 40 H CYS 6 H CYS 6 -2.894 -0.806 -7.248 41 HA CYS 6 HA CYS 6 -4.454 -0.106 -9.678 42 HB2 CYS 6 1HB CYS 6 -2.509 -2.393 -9.162 43 HB3 CYS 6 2HB CYS 6 -3.293 -2.005 -10.687 44 H CYS 7 H CYS 7 -5.067 -2.026 -6.974 45 HA CYS 7 HA CYS 7 -6.975 -3.717 -8.431 46 HB2 CYS 7 1HB CYS 7 -5.476 -4.250 -6.288 47 HB3 CYS 7 2HB CYS 7 -6.862 -3.552 -5.455 48 H THR 8 H THR 8 -7.112 -1.086 -5.935 49 HA THR 8 HA THR 8 -10.000 -1.085 -5.946 50 HB THR 8 HB THR 8 -8.544 -0.508 -3.936 51 HG1 THR 8 HG1 THR 8 -10.795 0.879 -4.957 52 HG21 THR 8 1HG2 THR 8 -7.005 1.135 -5.012 53 HG22 THR 8 2HG2 THR 8 -7.889 1.826 -3.617 54 HG23 THR 8 3HG2 THR 8 -8.366 2.247 -5.292 55 H SER 9 H SER 9 -7.549 0.395 -7.909 56 HA SER 9 HA SER 9 -9.753 1.920 -9.250 57 HB2 SER 9 1HB SER 9 -8.035 3.361 -7.823 58 HB3 SER 9 2HB SER 9 -6.946 3.075 -9.196 59 HG SER 9 HG SER 9 -8.654 4.948 -9.136 60 H ILE 10 H ILE 10 -8.367 2.675 -11.553 61 HA ILE 10 HA ILE 10 -7.222 0.090 -12.453 62 HB ILE 10 HB ILE 10 -8.845 2.116 -14.059 63 HG12 ILE 10 1HG1 ILE 10 -9.294 -0.834 -13.535 64 HG13 ILE 10 2HG1 ILE 10 -10.034 0.444 -12.574 65 HG21 ILE 10 1HG2 ILE 10 -7.039 -0.191 -15.005 66 HG22 ILE 10 2HG2 ILE 10 -8.445 0.308 -15.980 67 HG23 ILE 10 3HG2 ILE 10 -7.141 1.462 -15.634 68 HD11 ILE 10 3HD1 ILE 10 -10.652 -0.252 -15.453 69 HD12 ILE 10 1HD1 ILE 10 -11.751 -0.209 -14.068 70 HD13 ILE 10 2HD1 ILE 10 -11.132 1.311 -14.731 71 H CYS 11 H CYS 11 -5.159 0.088 -12.926 72 HA CYS 11 HA CYS 11 -3.759 2.675 -13.192 73 HB2 CYS 11 1HB CYS 11 -2.890 -0.212 -13.026 74 HB3 CYS 11 2HB CYS 11 -1.712 1.086 -13.309 75 H SER 12 H SER 12 -3.734 3.603 -15.136 76 HA SER 12 HA SER 12 -4.424 2.198 -17.594 77 HB2 SER 12 1HB SER 12 -3.098 4.628 -18.187 78 HB3 SER 12 2HB SER 12 -4.828 4.329 -18.079 79 HG SER 12 HG SER 12 -4.496 5.922 -16.587 80 H LEU 13 H LEU 13 -3.043 2.520 -19.569 81 HA LEU 13 HA LEU 13 -0.621 1.053 -19.577 82 HB2 LEU 13 1HB LEU 13 -1.727 3.301 -21.297 83 HB3 LEU 13 2HB LEU 13 -0.174 2.545 -21.606 84 HG LEU 13 HG LEU 13 -2.782 0.996 -21.385 85 HD11 LEU 13 1HD1 LEU 13 -2.709 0.988 -23.906 86 HD12 LEU 13 2HD1 LEU 13 -1.495 2.288 -23.807 87 HD13 LEU 13 3HD1 LEU 13 -3.101 2.521 -23.134 88 HD21 LEU 13 3HD2 LEU 13 -1.367 -0.609 -22.919 89 HD22 LEU 13 1HD2 LEU 13 -1.118 -0.591 -21.204 90 HD23 LEU 13 2HD2 LEU 13 0.023 0.234 -22.229 91 H TYR 14 H TYR 14 -1.019 4.575 -19.188 92 HA TYR 14 HA TYR 14 1.754 5.148 -19.343 93 HB2 TYR 14 1HB TYR 14 -0.035 6.937 -17.703 94 HB3 TYR 14 2HB TYR 14 1.063 7.381 -19.053 95 HD1 TYR 14 HD1 TYR 14 0.316 6.732 -21.418 96 HD2 TYR 14 HD2 TYR 14 -2.432 6.850 -18.114 97 HE1 TYR 14 HE1 TYR 14 -1.605 6.621 -22.990 98 HE2 TYR 14 HE2 TYR 14 -4.300 6.848 -19.653 99 HH TYR 14 HH TYR 14 -3.812 6.845 -23.232 100 H GLN 15 H GLN 15 -0.446 4.602 -16.622 101 HA GLN 15 HA GLN 15 1.512 5.167 -14.655 102 HB2 GLN 15 1HB GLN 15 -0.911 3.451 -14.361 103 HB3 GLN 15 2HB GLN 15 0.059 4.184 -13.079 104 HG2 GLN 15 1HG GLN 15 -0.525 6.480 -14.107 105 HG3 GLN 15 2HG GLN 15 -1.679 5.648 -15.144 106 HE21 GLN 15 2HE2 GLN 15 -1.035 6.788 -11.921 107 HE22 GLN 15 1HE2 GLN 15 -2.601 6.335 -11.233 108 H LEU 16 H LEU 16 0.546 2.198 -16.258 109 HA LEU 16 HA LEU 16 2.286 0.541 -14.693 110 HB2 LEU 16 1HB LEU 16 1.322 0.163 -17.552 111 HB3 LEU 16 2HB LEU 16 2.100 -1.112 -16.589 112 HG LEU 16 HG LEU 16 -0.527 0.242 -15.821 113 HD11 LEU 16 1HD1 LEU 16 -1.723 -1.644 -16.837 114 HD12 LEU 16 2HD1 LEU 16 -0.176 -2.407 -17.343 115 HD13 LEU 16 3HD1 LEU 16 -0.734 -0.890 -18.058 116 HD21 LEU 16 3HD2 LEU 16 0.542 -2.449 -14.897 117 HD22 LEU 16 1HD2 LEU 16 -0.919 -1.600 -14.327 118 HD23 LEU 16 2HD2 LEU 16 0.662 -0.943 -13.990 119 H GLU 17 H GLU 17 2.800 2.390 -17.740 120 HA GLU 17 HA GLU 17 5.545 1.365 -18.083 121 HB2 GLU 17 1HB GLU 17 4.085 3.765 -19.210 122 HB3 GLU 17 2HB GLU 17 5.807 3.396 -19.565 123 HG2 GLU 17 1HG GLU 17 5.145 1.144 -20.351 124 HG3 GLU 17 2HG GLU 17 3.479 1.465 -19.941 125 HE2 GLU 17 HE2 GLU 17 3.944 2.037 -23.464 126 H ASN 18 H ASN 18 4.215 3.965 -16.112 127 HA ASN 18 HA ASN 18 6.782 5.206 -15.601 128 HB2 ASN 18 1HB ASN 18 4.293 5.069 -13.886 129 HB3 ASN 18 2HB ASN 18 5.751 6.024 -13.498 130 HD21 ASN 18 2HD2 ASN 18 3.110 7.023 -13.905 131 HD22 ASN 18 1HD2 ASN 18 3.237 8.164 -15.235 132 H TYR 19 H TYR 19 5.481 2.119 -14.508 133 HA TYR 19 HA TYR 19 7.249 2.036 -12.172 134 HB2 TYR 19 1HB TYR 19 5.819 -0.320 -13.413 135 HB3 TYR 19 2HB TYR 19 6.430 -0.163 -11.768 136 HD1 TYR 19 HD2 TYR 19 5.338 2.670 -11.073 137 HD2 TYR 19 HD1 TYR 19 3.519 -0.795 -12.896 138 HE1 TYR 19 HE2 TYR 19 3.102 3.461 -10.330 139 HE2 TYR 19 HE1 TYR 19 1.276 0.018 -12.157 140 HH TYR 19 HH TYR 19 0.096 1.711 -11.005 141 H CYS 20 H CYS 20 7.564 1.653 -15.499 142 HA CYS 20 HA CYS 20 9.504 -0.591 -15.492 143 HB2 CYS 20 1HB CYS 20 8.320 1.093 -17.721 144 HB3 CYS 20 2HB CYS 20 9.359 -0.339 -17.906 145 H ASN 21 H ASN 21 11.438 -0.429 -16.637 146 HA ASN 21 HA ASN 21 13.018 1.916 -15.825 147 HB2 ASN 21 1HB ASN 21 13.766 -0.517 -15.953 148 HB3 ASN 21 2HB ASN 21 13.699 -0.423 -17.712 149 HD21 ASN 21 2HD2 ASN 21 15.888 -0.678 -15.420 150 HD22 ASN 21 1HD2 ASN 21 17.062 0.469 -15.995 151 HXT ASN 21 H02 ASN 21 12.467 3.767 -18.590 152 H1 PHE 1 2H0 PHE 1 -4.510 -2.954 -26.470 153 H2 PHE 1 1H0 PHE 1 -5.991 -3.599 -26.296 154 HA PHE 1 HA PHE 1 -4.846 -3.893 -24.251 155 HB2 PHE 1 1HB PHE 1 -3.250 -1.916 -24.605 156 HB3 PHE 1 2HB PHE 1 -4.684 -0.886 -24.301 157 HD1 PHE 1 HD2 PHE 1 -2.619 -3.586 -22.734 158 HD2 PHE 1 HD1 PHE 1 -5.325 -0.274 -22.074 159 HE1 PHE 1 HE2 PHE 1 -2.215 -3.704 -20.330 160 HE2 PHE 1 HE1 PHE 1 -4.865 -0.356 -19.599 161 HZ PHE 1 HZ PHE 1 -3.297 -2.082 -18.741 162 H VAL 2 H VAL 2 -6.251 -4.541 -22.888 163 HA VAL 2 HA VAL 2 -8.756 -3.099 -22.628 164 HB VAL 2 HB VAL 2 -7.862 -5.706 -21.230 165 HG11 VAL 2 1HG1 VAL 2 -10.185 -6.039 -20.660 166 HG12 VAL 2 2HG1 VAL 2 -9.741 -4.434 -20.091 167 HG13 VAL 2 3HG1 VAL 2 -10.705 -4.635 -21.611 168 HG21 VAL 2 3HG2 VAL 2 -7.818 -6.041 -23.589 169 HG22 VAL 2 1HG2 VAL 2 -9.256 -6.831 -22.904 170 HG23 VAL 2 2HG2 VAL 2 -9.447 -5.287 -23.769 171 H ASN 3 H ASN 3 -9.090 -1.581 -21.031 172 HA ASN 3 HA ASN 3 -7.168 -1.440 -18.837 173 HB2 ASN 3 1HB ASN 3 -8.377 0.584 -18.205 174 HB3 ASN 3 2HB ASN 3 -7.983 0.659 -19.929 175 HD21 ASN 3 2HD2 ASN 3 -10.309 1.445 -17.811 176 HD22 ASN 3 1HD2 ASN 3 -11.697 1.193 -18.818 177 H GLN 4 H GLN 4 -7.451 -2.283 -16.868 178 HA GLN 4 HA GLN 4 -10.089 -3.060 -15.843 179 HB2 GLN 4 1HB GLN 4 -9.669 -5.382 -15.777 180 HB3 GLN 4 2HB GLN 4 -9.443 -4.811 -17.450 181 HG2 GLN 4 1HG GLN 4 -7.005 -4.845 -17.142 182 HG3 GLN 4 2HG GLN 4 -7.216 -5.392 -15.491 183 HE21 GLN 4 2HE2 GLN 4 -8.567 -6.340 -18.651 184 HE22 GLN 4 1HE2 GLN 4 -8.257 -8.062 -18.519 185 H HIS 5 H HIS 5 -9.947 -3.996 -13.703 186 HA HIS 5 HA HIS 5 -7.908 -2.715 -11.992 187 HB2 HIS 5 1HB HIS 5 -10.082 -4.804 -11.432 188 HB3 HIS 5 2HB HIS 5 -9.038 -4.050 -10.202 189 HD1 HIS 5 HD1 HIS 5 -9.128 -1.432 -9.935 190 HD2 HIS 5 HD2 HIS 5 -12.356 -3.121 -11.943 191 HE1 HIS 5 HE1 HIS 5 -10.967 0.270 -9.914 192 HE2 HIS 5 HE2 HIS 5 -12.886 -0.792 -11.178 193 H LEU 6 H LEU 6 -6.218 -3.761 -11.013 194 HA LEU 6 HA LEU 6 -5.685 -6.499 -11.977 195 HB2 LEU 6 1HB LEU 6 -3.625 -4.347 -11.430 196 HB3 LEU 6 2HB LEU 6 -3.280 -5.948 -12.090 197 HG LEU 6 HG LEU 6 -5.005 -3.863 -13.534 198 HD11 LEU 6 1HD1 LEU 6 -2.663 -3.088 -12.995 199 HD12 LEU 6 2HD1 LEU 6 -3.109 -3.182 -14.739 200 HD13 LEU 6 3HD1 LEU 6 -2.060 -4.441 -14.019 201 HD21 LEU 6 3HD2 LEU 6 -4.444 -5.180 -15.505 202 HD22 LEU 6 1HD2 LEU 6 -5.327 -6.142 -14.344 203 HD23 LEU 6 2HD2 LEU 6 -3.560 -6.352 -14.518 204 H CYS 7 H CYS 7 -5.428 -7.963 -10.401 205 HA CYS 7 HA CYS 7 -4.167 -7.039 -7.833 206 HB2 CYS 7 1HB CYS 7 -6.904 -7.951 -8.030 207 HB3 CYS 7 2HB CYS 7 -5.967 -9.148 -7.097 208 H GLY 8 H GLY 8 -3.101 -8.860 -6.734 209 HA2 GLY 8 1HA GLY 8 -1.566 -10.654 -6.790 210 HA3 GLY 8 2HA GLY 8 -2.876 -11.480 -7.633 211 H SER 9 H SER 9 -2.177 -12.479 -9.187 212 HA SER 9 HA SER 9 0.200 -12.023 -10.638 213 HB2 SER 9 1HB SER 9 -0.926 -14.199 -10.526 214 HB3 SER 9 2HB SER 9 -2.273 -13.532 -11.465 215 HG SER 9 HG SER 9 0.416 -13.993 -12.291 216 H HIS 10 H HIS 10 -3.010 -10.640 -11.215 217 HA HIS 10 HA HIS 10 -2.670 -10.172 -14.026 218 HB2 HIS 10 1HB HIS 10 -4.368 -8.907 -11.923 219 HB3 HIS 10 2HB HIS 10 -4.284 -8.144 -13.513 220 HD1 HIS 10 HD1 HIS 10 -6.467 -8.684 -14.647 221 HD2 HIS 10 HD2 HIS 10 -4.814 -12.026 -12.619 222 HE1 HIS 10 HE1 HIS 10 -7.936 -10.607 -15.148 223 HE2 HIS 10 HE2 HIS 10 -6.969 -12.669 -13.981 224 H LEU 11 H LEU 11 -1.400 -8.497 -11.256 225 HA LEU 11 HA LEU 11 -0.785 -6.038 -12.680 226 HB2 LEU 11 1HB LEU 11 -0.031 -7.261 -10.046 227 HB3 LEU 11 2HB LEU 11 1.131 -6.149 -10.766 228 HG LEU 11 HG LEU 11 -1.387 -4.905 -10.943 229 HD11 LEU 11 1HD1 LEU 11 -0.727 -6.327 -8.329 230 HD12 LEU 11 2HD1 LEU 11 -2.251 -6.309 -9.256 231 HD13 LEU 11 3HD1 LEU 11 -1.763 -4.857 -8.371 232 HD21 LEU 11 3HD2 LEU 11 -0.258 -3.305 -9.333 233 HD22 LEU 11 1HD2 LEU 11 0.694 -3.673 -10.741 234 HD23 LEU 11 2HD2 LEU 11 1.106 -4.447 -9.226 235 H VAL 12 H VAL 12 1.293 -8.815 -11.645 236 HA VAL 12 HA VAL 12 3.516 -7.984 -13.215 237 HB VAL 12 HB VAL 12 4.376 -10.277 -12.923 238 HG11 VAL 12 1HG1 VAL 12 3.265 -9.187 -10.335 239 HG12 VAL 12 2HG1 VAL 12 4.779 -10.097 -10.612 240 HG13 VAL 12 3HG1 VAL 12 4.616 -8.443 -11.247 241 HG21 VAL 12 3HG2 VAL 12 1.825 -10.886 -11.475 242 HG22 VAL 12 1HG2 VAL 12 2.329 -11.557 -13.039 243 HG23 VAL 12 2HG2 VAL 12 3.264 -11.919 -11.567 244 H GLU 13 H GLU 13 0.740 -10.067 -14.100 245 HA GLU 13 HA GLU 13 1.727 -10.752 -16.739 246 HB2 GLU 13 1HB GLU 13 -1.048 -10.326 -15.571 247 HB3 GLU 13 2HB GLU 13 -0.769 -10.735 -17.286 248 HG2 GLU 13 1HG GLU 13 0.371 -12.757 -16.625 249 HG3 GLU 13 2HG GLU 13 0.106 -12.373 -14.880 250 HE2 GLU 13 HE2 GLU 13 -1.298 -13.511 -14.206 251 H ALA 14 H ALA 14 -0.119 -7.827 -15.635 252 HA ALA 14 HA ALA 14 -0.367 -6.684 -18.248 253 HB1 ALA 14 3HB ALA 14 -1.659 -5.816 -16.312 254 HB2 ALA 14 1HB ALA 14 -0.161 -5.262 -15.540 255 HB3 ALA 14 2HB ALA 14 -0.721 -4.520 -17.056 256 H LEU 15 H LEU 15 2.221 -6.346 -15.763 257 HA LEU 15 HA LEU 15 3.691 -4.402 -17.237 258 HB2 LEU 15 1HB LEU 15 4.651 -6.294 -15.098 259 HB3 LEU 15 2HB LEU 15 5.579 -4.928 -15.706 260 HG LEU 15 HG LEU 15 2.896 -4.734 -14.291 261 HD11 LEU 15 1HD1 LEU 15 4.538 -5.441 -12.686 262 HD12 LEU 15 2HD1 LEU 15 4.275 -3.713 -12.414 263 HD13 LEU 15 3HD1 LEU 15 5.720 -4.268 -13.250 264 HD21 LEU 15 3HD2 LEU 15 3.224 -2.878 -15.852 265 HD22 LEU 15 1HD2 LEU 15 4.809 -2.550 -15.229 266 HD23 LEU 15 2HD2 LEU 15 3.413 -2.287 -14.218 267 H TYR 16 H TYR 16 3.693 -7.947 -17.168 268 HA TYR 16 HA TYR 16 6.069 -8.187 -18.781 269 HB2 TYR 16 1HB TYR 16 5.297 -10.151 -17.634 270 HB3 TYR 16 2HB TYR 16 3.676 -9.993 -18.321 271 HD1 TYR 16 HD1 TYR 16 7.249 -10.615 -19.323 272 HD2 TYR 16 HD2 TYR 16 3.071 -11.079 -20.301 273 HE1 TYR 16 HE1 TYR 16 7.873 -12.073 -21.255 274 HE2 TYR 16 HE2 TYR 16 3.719 -12.494 -22.260 275 HH TYR 16 HH TYR 16 7.048 -13.201 -23.183 276 H LEU 17 H LEU 17 2.548 -7.886 -19.541 277 HA LEU 17 HA LEU 17 2.995 -8.075 -22.385 278 HB2 LEU 17 1HB LEU 17 0.738 -6.907 -20.751 279 HB3 LEU 17 2HB LEU 17 0.683 -7.132 -22.518 280 HG LEU 17 HG LEU 17 1.051 -9.423 -20.554 281 HD11 LEU 17 1HD1 LEU 17 -1.340 -9.888 -21.004 282 HD12 LEU 17 2HD1 LEU 17 -1.455 -8.341 -21.895 283 HD13 LEU 17 3HD1 LEU 17 -1.073 -8.342 -20.142 284 HD21 LEU 17 3HD2 LEU 17 0.542 -10.847 -22.454 285 HD22 LEU 17 1HD2 LEU 17 1.883 -9.835 -22.911 286 HD23 LEU 17 2HD2 LEU 17 0.253 -9.411 -23.506 287 H VAL 18 H VAL 18 2.833 -5.194 -20.208 288 HA VAL 18 HA VAL 18 2.962 -3.438 -22.555 289 HB VAL 18 HB VAL 18 1.596 -2.981 -20.418 290 HG11 VAL 18 1HG1 VAL 18 4.143 -1.842 -19.351 291 HG12 VAL 18 2HG1 VAL 18 2.553 -1.924 -18.549 292 HG13 VAL 18 3HG1 VAL 18 3.451 -3.397 -18.861 293 HG21 VAL 18 3HG2 VAL 18 1.759 -0.574 -20.662 294 HG22 VAL 18 1HG2 VAL 18 3.372 -0.693 -21.341 295 HG23 VAL 18 2HG2 VAL 18 1.994 -1.344 -22.254 296 H CYS 19 H CYS 19 5.282 -4.718 -20.294 297 HA CYS 19 HA CYS 19 7.340 -2.987 -21.638 298 HB2 CYS 19 1HB CYS 19 7.144 -3.697 -18.655 299 HB3 CYS 19 2HB CYS 19 8.519 -2.899 -19.429 300 H GLY 20 H GLY 20 6.724 -6.138 -19.883 301 HA2 GLY 20 1HA GLY 20 7.932 -8.128 -20.034 302 HA3 GLY 20 2HA GLY 20 8.518 -7.547 -21.606 303 H GLU 21 H GLU 21 10.580 -7.367 -21.840 304 HA GLU 21 HA GLU 21 12.552 -7.825 -19.866 305 HB2 GLU 21 1HB GLU 21 12.458 -6.635 -22.621 306 HB3 GLU 21 2HB GLU 21 13.876 -6.262 -21.655 307 HG2 GLU 21 1HG GLU 21 12.933 -9.086 -22.240 308 HG3 GLU 21 2HG GLU 21 14.104 -8.204 -23.215 309 HE2 GLU 21 HE2 GLU 21 15.341 -10.119 -20.148 310 H ARG 22 H ARG 22 11.027 -4.766 -20.775 311 HA ARG 22 HA ARG 22 13.003 -3.228 -19.150 312 HB2 ARG 22 1HB ARG 22 10.568 -2.228 -20.638 313 HB3 ARG 22 2HB ARG 22 11.902 -1.236 -20.077 314 HG2 ARG 22 1HG ARG 22 11.971 -3.331 -22.313 315 HG3 ARG 22 2HG ARG 22 12.043 -1.607 -22.538 316 HD2 ARG 22 1HD ARG 22 14.152 -3.237 -21.109 317 HD3 ARG 22 2HD ARG 22 14.240 -2.686 -22.791 318 HE ARG 22 HE ARG 22 14.000 -0.352 -21.675 319 HH11 ARG 22 1HH1 ARG 22 15.896 -3.030 -20.322 320 HH12 ARG 22 2HH1 ARG 22 16.982 -1.954 -19.505 321 HH21 ARG 22 1HH2 ARG 22 15.444 0.942 -20.560 322 HH22 ARG 22 2HH2 ARG 22 16.702 0.260 -19.603 323 H GLY 23 H GLY 23 10.623 -5.084 -18.240 324 HA2 GLY 23 1HA GLY 23 9.241 -3.084 -16.518 325 HA3 GLY 23 2HA GLY 23 8.706 -4.711 -16.844 326 H PHE 24 H PHE 24 8.365 -5.030 -14.706 327 HA PHE 24 HA PHE 24 10.039 -4.903 -12.461 328 HB2 PHE 24 1HB PHE 24 8.484 -6.280 -11.366 329 HB3 PHE 24 2HB PHE 24 7.541 -5.256 -12.473 330 HD1 PHE 24 HD2 PHE 24 6.946 -6.313 -14.799 331 HD2 PHE 24 HD1 PHE 24 8.088 -8.651 -11.438 332 HE1 PHE 24 HE2 PHE 24 5.950 -8.311 -15.925 333 HE2 PHE 24 HE1 PHE 24 7.134 -10.681 -12.518 334 HZ PHE 24 HZ PHE 24 6.094 -10.539 -14.820 335 H PHE 25 H PHE 25 10.746 -6.824 -11.199 336 HA PHE 25 HA PHE 25 11.841 -9.061 -12.930 337 HB2 PHE 25 1HB PHE 25 13.663 -7.656 -11.935 338 HB3 PHE 25 2HB PHE 25 12.876 -7.779 -10.340 339 HD1 PHE 25 HD2 PHE 25 14.436 -9.964 -13.053 340 HD2 PHE 25 HD1 PHE 25 13.544 -9.493 -8.848 341 HE1 PHE 25 HE2 PHE 25 15.731 -11.977 -12.588 342 HE2 PHE 25 HE1 PHE 25 14.881 -11.641 -8.407 343 HZ PHE 25 HZ PHE 25 15.930 -12.850 -10.293 344 H NVA 26 H ARX 26 10.923 -10.824 -12.506 345 HA NVA 26 HA ARX 26 9.420 -11.437 -9.975 346 HB2 NVA 26 1HB ARX 26 8.693 -12.150 -12.447 347 HB3 NVA 26 2HB ARX 26 9.799 -13.444 -12.189 348 HG2 NVA 26 1HG ARX 26 8.647 -14.211 -10.109 349 HG3 NVA 26 2HG ARX 26 7.424 -12.928 -10.344 350 HD2 NVA 26 1HD ARX 26 6.199 -14.356 -11.484 351 HD3 NVA 26 2HD ARX 26 7.336 -14.111 -12.801 352 H THR 27 H THR 27 10.110 -12.815 -8.390 353 HA THR 27 HA THR 27 12.898 -13.422 -8.090 354 HB THR 27 HB THR 27 12.064 -15.017 -6.304 355 HG1 THR 27 HG1 THR 27 9.460 -14.124 -7.107 356 HG21 THR 27 1HG2 THR 27 10.447 -12.477 -6.029 357 HG22 THR 27 2HG2 THR 27 12.226 -12.381 -6.077 358 HG23 THR 27 3HG2 THR 27 11.423 -13.312 -4.801 359 HA PRO 28 HA PRO 28 13.110 -16.502 -10.979 360 HB2 PRO 28 1HB PRO 28 14.784 -18.509 -10.097 361 HB3 PRO 28 2HB PRO 28 15.289 -16.824 -10.576 362 HG2 PRO 28 1HG PRO 28 14.696 -17.983 -7.809 363 HG3 PRO 28 2HG PRO 28 16.155 -17.136 -8.434 364 HD2 PRO 28 1HD PRO 28 14.204 -15.828 -7.111 365 HD3 PRO 28 2HD PRO 28 15.047 -15.053 -8.480 366 H HIX 29 H HIX 29 11.463 -17.617 -11.636 367 HA HIX 29 HA HIX 29 9.756 -19.384 -10.087 368 HB1 HIX 29 1HB HIX 29 9.926 -18.729 -13.141 369 HB2 HIX 29 2HB HIX 29 8.796 -19.884 -12.417 370 HD2 HIX 29 HD2 HIX 29 9.266 -16.103 -13.013 371 HD1 HIX 29 HD1 HIX 29 7.039 -18.614 -10.502 372 H THR 30 H THR 30 11.257 -20.880 -9.150 373 HA THR 30 HA THR 30 11.359 -23.312 -10.690 374 HB THR 30 HB THR 30 13.413 -22.024 -11.433 375 HG1 THR 30 HG1 THR 30 14.800 -23.905 -10.965 376 HG21 THR 30 1HG2 THR 30 15.359 -21.905 -9.950 377 HG22 THR 30 2HG2 THR 30 14.489 -22.556 -8.580 378 HG23 THR 30 3HG2 THR 30 14.128 -20.918 -9.279 379 HXT THR 30 H02 THR 30 12.582 -24.827 -9.461 Start of MODEL 19 1 H1 GLY 1 2H0 GLY 1 0.280 1.849 -0.417 2 H2 GLY 1 1H0 GLY 1 1.851 2.041 -0.021 3 HA2 GLY 1 1HA GLY 1 2.629 1.004 -2.000 4 HA3 GLY 1 2HA GLY 1 1.300 0.021 -1.322 5 H ILE 2 H ILE 2 2.579 0.542 -4.019 6 HA ILE 2 HA ILE 2 0.457 1.761 -5.559 7 HB ILE 2 HB ILE 2 3.051 1.835 -5.953 8 HG12 ILE 2 1HG1 ILE 2 2.714 2.066 -8.406 9 HG13 ILE 2 2HG1 ILE 2 1.073 1.436 -8.227 10 HG21 ILE 2 1HG2 ILE 2 3.257 -0.736 -6.138 11 HG22 ILE 2 2HG2 ILE 2 2.390 -0.603 -7.681 12 HG23 ILE 2 3HG2 ILE 2 3.951 0.180 -7.485 13 HD11 ILE 2 3HD1 ILE 2 0.468 3.414 -6.836 14 HD12 ILE 2 1HD1 ILE 2 2.177 3.961 -6.889 15 HD13 ILE 2 2HD1 ILE 2 1.179 3.931 -8.388 16 H VAL 3 H VAL 3 1.178 -1.529 -4.633 17 HA VAL 3 HA VAL 3 -0.210 -2.894 -6.729 18 HB VAL 3 HB VAL 3 0.136 -3.831 -3.817 19 HG11 VAL 3 1HG1 VAL 3 -0.177 -5.463 -6.406 20 HG12 VAL 3 2HG1 VAL 3 -0.098 -6.106 -4.742 21 HG13 VAL 3 3HG1 VAL 3 -1.505 -5.131 -5.263 22 HG21 VAL 3 3HG2 VAL 3 1.990 -4.275 -6.186 23 HG22 VAL 3 1HG2 VAL 3 2.364 -3.310 -4.733 24 HG23 VAL 3 2HG2 VAL 3 2.123 -5.061 -4.591 25 H GLU 4 H GLU 4 -1.285 -1.956 -3.466 26 HA GLU 4 HA GLU 4 -4.043 -2.733 -3.955 27 HB2 GLU 4 1HB GLU 4 -4.646 -1.749 -1.936 28 HB3 GLU 4 2HB GLU 4 -2.990 -2.300 -1.653 29 HG2 GLU 4 1HG GLU 4 -2.240 0.048 -2.167 30 HG3 GLU 4 2HG GLU 4 -3.958 0.492 -2.195 31 HE2 GLU 4 HE2 GLU 4 -4.979 -0.425 -0.213 32 H GLN 5 H GLN 5 -2.238 0.224 -4.704 33 HA GLN 5 HA GLN 5 -4.540 1.781 -5.319 34 HB2 GLN 5 1HB GLN 5 -2.086 2.538 -5.079 35 HB3 GLN 5 2HB GLN 5 -1.887 1.853 -6.688 36 HG2 GLN 5 1HG GLN 5 -2.178 4.086 -7.200 37 HG3 GLN 5 2HG GLN 5 -3.854 3.530 -7.328 38 HE21 GLN 5 2HE2 GLN 5 -1.837 5.819 -5.992 39 HE22 GLN 5 1HE2 GLN 5 -2.890 6.368 -4.695 40 H CYS 6 H CYS 6 -2.529 -0.378 -7.397 41 HA CYS 6 HA CYS 6 -4.275 -0.007 -9.762 42 HB2 CYS 6 1HB CYS 6 -1.800 -1.286 -9.165 43 HB3 CYS 6 2HB CYS 6 -2.919 -2.488 -9.844 44 H CYS 7 H CYS 7 -4.435 -1.989 -6.962 45 HA CYS 7 HA CYS 7 -6.378 -3.838 -8.110 46 HB2 CYS 7 1HB CYS 7 -4.894 -4.261 -6.134 47 HB3 CYS 7 2HB CYS 7 -5.986 -3.270 -5.183 48 H THR 8 H THR 8 -6.635 -1.009 -5.830 49 HA THR 8 HA THR 8 -9.528 -1.296 -5.755 50 HB THR 8 HB THR 8 -8.028 -0.365 -3.858 51 HG1 THR 8 HG1 THR 8 -10.374 -0.227 -3.924 52 HG21 THR 8 1HG2 THR 8 -8.348 2.255 -5.399 53 HG22 THR 8 2HG2 THR 8 -6.838 1.313 -5.214 54 HG23 THR 8 3HG2 THR 8 -7.629 1.992 -3.787 55 H SER 9 H SER 9 -7.311 0.772 -7.661 56 HA SER 9 HA SER 9 -9.751 1.939 -8.965 57 HB2 SER 9 1HB SER 9 -6.830 2.939 -8.783 58 HB3 SER 9 2HB SER 9 -8.121 3.712 -9.753 59 HG SER 9 HG SER 9 -7.696 4.565 -7.518 60 H ILE 10 H ILE 10 -8.800 2.522 -11.417 61 HA ILE 10 HA ILE 10 -8.003 -0.144 -12.407 62 HB ILE 10 HB ILE 10 -9.678 2.112 -13.645 63 HG12 ILE 10 1HG1 ILE 10 -10.063 -0.881 -13.264 64 HG13 ILE 10 2HG1 ILE 10 -10.788 0.379 -12.248 65 HG21 ILE 10 1HG2 ILE 10 -9.663 0.910 -15.819 66 HG22 ILE 10 2HG2 ILE 10 -8.034 1.470 -15.393 67 HG23 ILE 10 3HG2 ILE 10 -8.479 -0.259 -15.155 68 HD11 ILE 10 3HD1 ILE 10 -12.034 1.177 -14.339 69 HD12 ILE 10 1HD1 ILE 10 -11.487 -0.290 -15.139 70 HD13 ILE 10 2HD1 ILE 10 -12.519 -0.430 -13.724 71 H CYS 11 H CYS 11 -6.239 -0.457 -13.495 72 HA CYS 11 HA CYS 11 -4.143 1.500 -13.502 73 HB2 CYS 11 1HB CYS 11 -4.245 -1.158 -14.900 74 HB3 CYS 11 2HB CYS 11 -2.813 -0.282 -14.336 75 H SER 12 H SER 12 -3.047 2.374 -15.235 76 HA SER 12 HA SER 12 -4.421 2.155 -17.893 77 HB2 SER 12 1HB SER 12 -2.976 4.661 -17.057 78 HB3 SER 12 2HB SER 12 -4.256 4.477 -18.264 79 HG SER 12 HG SER 12 -5.783 4.371 -16.734 80 H LEU 13 H LEU 13 -2.916 2.558 -19.813 81 HA LEU 13 HA LEU 13 -0.579 1.010 -19.621 82 HB2 LEU 13 1HB LEU 13 -1.451 3.218 -21.519 83 HB3 LEU 13 2HB LEU 13 0.031 2.325 -21.778 84 HG LEU 13 HG LEU 13 -2.711 1.000 -21.613 85 HD11 LEU 13 1HD1 LEU 13 -2.652 2.619 -23.452 86 HD12 LEU 13 2HD1 LEU 13 -2.734 0.944 -24.054 87 HD13 LEU 13 3HD1 LEU 13 -1.190 1.867 -24.081 88 HD21 LEU 13 3HD2 LEU 13 -1.558 -0.819 -22.841 89 HD22 LEU 13 1HD2 LEU 13 -0.978 -0.534 -21.190 90 HD23 LEU 13 2HD2 LEU 13 -0.020 0.043 -22.578 91 H TYR 14 H TYR 14 -0.965 4.585 -19.441 92 HA TYR 14 HA TYR 14 1.817 5.222 -19.287 93 HB2 TYR 14 1HB TYR 14 0.035 6.842 -17.608 94 HB3 TYR 14 2HB TYR 14 1.164 7.266 -18.929 95 HD1 TYR 14 HD1 TYR 14 0.490 6.596 -21.337 96 HD2 TYR 14 HD2 TYR 14 -2.281 6.875 -18.046 97 HE1 TYR 14 HE1 TYR 14 -1.423 6.825 -22.952 98 HE2 TYR 14 HE2 TYR 14 -4.174 6.975 -19.640 99 HH TYR 14 HH TYR 14 -3.803 6.967 -23.166 100 H GLN 15 H GLN 15 -0.474 4.464 -16.666 101 HA GLN 15 HA GLN 15 1.313 5.008 -14.513 102 HB2 GLN 15 1HB GLN 15 -0.969 2.967 -14.493 103 HB3 GLN 15 2HB GLN 15 -0.147 3.695 -13.079 104 HG2 GLN 15 1HG GLN 15 -1.015 5.938 -13.850 105 HG3 GLN 15 2HG GLN 15 -1.944 5.090 -15.124 106 HE21 GLN 15 2HE2 GLN 15 -3.971 4.555 -14.587 107 HE22 GLN 15 1HE2 GLN 15 -4.585 4.470 -12.954 108 H LEU 16 H LEU 16 0.456 1.955 -16.196 109 HA LEU 16 HA LEU 16 2.209 0.360 -14.557 110 HB2 LEU 16 1HB LEU 16 1.224 -0.054 -17.420 111 HB3 LEU 16 2HB LEU 16 2.081 -1.234 -16.437 112 HG LEU 16 HG LEU 16 -0.601 -0.006 -15.566 113 HD11 LEU 16 1HD1 LEU 16 -1.741 -1.765 -16.638 114 HD12 LEU 16 2HD1 LEU 16 -0.249 -2.497 -17.207 115 HD13 LEU 16 3HD1 LEU 16 -0.765 -0.925 -17.845 116 HD21 LEU 16 3HD2 LEU 16 0.901 -1.373 -13.958 117 HD22 LEU 16 1HD2 LEU 16 0.616 -2.787 -15.015 118 HD23 LEU 16 2HD2 LEU 16 -0.750 -2.023 -14.174 119 H GLU 17 H GLU 17 2.795 2.066 -17.678 120 HA GLU 17 HA GLU 17 5.418 1.014 -17.986 121 HB2 GLU 17 1HB GLU 17 3.983 3.442 -19.101 122 HB3 GLU 17 2HB GLU 17 5.704 3.162 -19.367 123 HG2 GLU 17 1HG GLU 17 5.161 0.847 -20.208 124 HG3 GLU 17 2HG GLU 17 3.451 1.296 -20.174 125 HE2 GLU 17 HE2 GLU 17 6.438 2.531 -21.221 126 H ASN 18 H ASN 18 4.148 3.736 -16.042 127 HA ASN 18 HA ASN 18 6.707 4.915 -15.572 128 HB2 ASN 18 1HB ASN 18 4.159 4.841 -13.893 129 HB3 ASN 18 2HB ASN 18 5.560 5.819 -13.510 130 HD21 ASN 18 2HD2 ASN 18 3.236 7.012 -13.796 131 HD22 ASN 18 1HD2 ASN 18 3.174 7.990 -15.265 132 H TYR 19 H TYR 19 5.273 1.922 -14.353 133 HA TYR 19 HA TYR 19 6.800 1.965 -11.819 134 HB2 TYR 19 1HB TYR 19 5.548 -0.377 -13.307 135 HB3 TYR 19 2HB TYR 19 6.104 -0.390 -11.659 136 HD1 TYR 19 HD1 TYR 19 4.804 2.659 -11.351 137 HD2 TYR 19 HD2 TYR 19 3.381 -1.296 -12.388 138 HE1 TYR 19 HE1 TYR 19 2.505 3.365 -10.738 139 HE2 TYR 19 HE2 TYR 19 1.091 -0.575 -11.676 140 HH TYR 19 HH TYR 19 -0.233 1.025 -11.027 141 H CYS 20 H CYS 20 7.373 0.863 -15.088 142 HA CYS 20 HA CYS 20 9.781 -0.683 -14.365 143 HB2 CYS 20 1HB CYS 20 8.630 0.009 -17.034 144 HB3 CYS 20 2HB CYS 20 9.781 -1.299 -16.733 145 H ASN 21 H ASN 21 11.836 -0.220 -15.526 146 HA ASN 21 HA ASN 21 12.282 2.754 -15.640 147 HB2 ASN 21 1HB ASN 21 14.000 1.409 -14.408 148 HB3 ASN 21 2HB ASN 21 14.305 0.449 -15.818 149 HD21 ASN 21 2HD2 ASN 21 14.133 3.906 -14.845 150 HD22 ASN 21 1HD2 ASN 21 15.511 4.391 -15.836 151 HXT ASN 21 H02 ASN 21 12.529 3.118 -18.871 152 H1 PHE 1 2H0 PHE 1 -4.174 -4.378 -25.623 153 H2 PHE 1 1H0 PHE 1 -5.845 -4.538 -25.694 154 HA PHE 1 HA PHE 1 -4.768 -4.663 -23.477 155 HB2 PHE 1 1HB PHE 1 -3.248 -2.667 -24.125 156 HB3 PHE 1 2HB PHE 1 -4.639 -1.601 -23.921 157 HD1 PHE 1 HD1 PHE 1 -5.640 -1.209 -21.740 158 HD2 PHE 1 HD2 PHE 1 -2.074 -3.550 -22.194 159 HE1 PHE 1 HE1 PHE 1 -5.152 -0.858 -19.432 160 HE2 PHE 1 HE2 PHE 1 -1.565 -3.149 -19.712 161 HZ PHE 1 HZ PHE 1 -3.118 -1.818 -18.357 162 H VAL 2 H VAL 2 -6.000 -4.362 -21.593 163 HA VAL 2 HA VAL 2 -8.631 -3.062 -22.129 164 HB VAL 2 HB VAL 2 -8.339 -5.732 -20.644 165 HG11 VAL 2 1HG1 VAL 2 -10.321 -4.289 -20.027 166 HG12 VAL 2 2HG1 VAL 2 -10.832 -4.279 -21.727 167 HG13 VAL 2 3HG1 VAL 2 -10.806 -5.818 -20.814 168 HG21 VAL 2 3HG2 VAL 2 -9.556 -6.591 -22.729 169 HG22 VAL 2 1HG2 VAL 2 -9.071 -5.067 -23.532 170 HG23 VAL 2 2HG2 VAL 2 -7.834 -6.201 -22.918 171 H ASN 3 H ASN 3 -8.955 -1.498 -20.715 172 HA ASN 3 HA ASN 3 -7.417 -1.154 -18.265 173 HB2 ASN 3 1HB ASN 3 -9.925 0.235 -19.236 174 HB3 ASN 3 2HB ASN 3 -8.968 0.754 -17.855 175 HD21 ASN 3 2HD2 ASN 3 -6.636 1.275 -18.261 176 HD22 ASN 3 1HD2 ASN 3 -6.272 2.038 -19.801 177 H GLN 4 H GLN 4 -7.647 -2.602 -16.625 178 HA GLN 4 HA GLN 4 -10.370 -3.071 -15.502 179 HB2 GLN 4 1HB GLN 4 -8.164 -5.149 -16.007 180 HB3 GLN 4 2HB GLN 4 -9.655 -5.459 -15.136 181 HG2 GLN 4 1HG GLN 4 -10.892 -4.777 -17.246 182 HG3 GLN 4 2HG GLN 4 -9.306 -4.929 -18.021 183 HE21 GLN 4 2HE2 GLN 4 -8.142 -7.107 -17.462 184 HE22 GLN 4 1HE2 GLN 4 -9.174 -8.546 -17.606 185 H HIS 5 H HIS 5 -10.044 -4.053 -13.209 186 HA HIS 5 HA HIS 5 -7.956 -2.789 -11.678 187 HB2 HIS 5 1HB HIS 5 -10.056 -4.839 -10.906 188 HB3 HIS 5 2HB HIS 5 -8.939 -4.022 -9.799 189 HD1 HIS 5 HD1 HIS 5 -9.258 -1.411 -9.573 190 HD2 HIS 5 HD2 HIS 5 -12.306 -3.314 -11.729 191 HE1 HIS 5 HE1 HIS 5 -11.213 0.258 -9.626 192 HE2 HIS 5 HE2 HIS 5 -13.033 -0.953 -10.951 193 H LEU 6 H LEU 6 -6.090 -3.853 -10.994 194 HA LEU 6 HA LEU 6 -5.670 -6.633 -11.837 195 HB2 LEU 6 1HB LEU 6 -3.671 -4.382 -12.057 196 HB3 LEU 6 2HB LEU 6 -3.428 -6.042 -12.631 197 HG LEU 6 HG LEU 6 -5.369 -4.013 -13.807 198 HD11 LEU 6 1HD1 LEU 6 -2.948 -3.447 -14.101 199 HD12 LEU 6 2HD1 LEU 6 -3.699 -3.921 -15.650 200 HD13 LEU 6 3HD1 LEU 6 -2.642 -5.038 -14.789 201 HD21 LEU 6 3HD2 LEU 6 -5.937 -6.483 -14.120 202 HD22 LEU 6 1HD2 LEU 6 -4.447 -6.589 -15.138 203 HD23 LEU 6 2HD2 LEU 6 -5.776 -5.475 -15.575 204 H CYS 7 H CYS 7 -5.172 -7.701 -9.876 205 HA CYS 7 HA CYS 7 -3.888 -6.029 -7.768 206 HB2 CYS 7 1HB CYS 7 -5.581 -8.441 -7.245 207 HB3 CYS 7 2HB CYS 7 -4.982 -7.243 -6.076 208 H GLY 8 H GLY 8 -4.289 -9.473 -8.594 209 HA2 GLY 8 1HA GLY 8 -1.680 -10.068 -7.286 210 HA3 GLY 8 2HA GLY 8 -2.959 -11.198 -7.782 211 H SER 9 H SER 9 -2.246 -12.538 -9.373 212 HA SER 9 HA SER 9 -0.029 -12.183 -10.973 213 HB2 SER 9 1HB SER 9 -2.518 -13.723 -11.905 214 HB3 SER 9 2HB SER 9 -0.797 -14.057 -12.254 215 HG SER 9 HG SER 9 -1.221 -15.400 -10.604 216 H HIS 10 H HIS 10 -3.231 -10.786 -11.497 217 HA HIS 10 HA HIS 10 -3.077 -10.266 -14.302 218 HB2 HIS 10 1HB HIS 10 -4.526 -9.070 -11.936 219 HB3 HIS 10 2HB HIS 10 -4.521 -8.266 -13.455 220 HD1 HIS 10 HD1 HIS 10 -6.442 -8.834 -15.020 221 HD2 HIS 10 HD2 HIS 10 -5.383 -12.002 -12.490 222 HE1 HIS 10 HE1 HIS 10 -7.969 -10.750 -15.609 223 HE2 HIS 10 HE2 HIS 10 -7.358 -12.655 -14.017 224 H LEU 11 H LEU 11 -1.724 -8.519 -11.487 225 HA LEU 11 HA LEU 11 -1.250 -6.127 -12.896 226 HB2 LEU 11 1HB LEU 11 -1.223 -6.874 -10.319 227 HB3 LEU 11 2HB LEU 11 0.521 -6.736 -10.589 228 HG LEU 11 HG LEU 11 -1.448 -4.533 -11.233 229 HD11 LEU 11 1HD1 LEU 11 0.214 -4.991 -8.690 230 HD12 LEU 11 2HD1 LEU 11 -1.529 -5.074 -8.809 231 HD13 LEU 11 3HD1 LEU 11 -0.683 -3.528 -9.039 232 HD21 LEU 11 3HD2 LEU 11 0.716 -4.274 -12.384 233 HD22 LEU 11 1HD2 LEU 11 1.551 -4.516 -10.809 234 HD23 LEU 11 2HD2 LEU 11 0.540 -3.072 -11.099 235 H VAL 12 H VAL 12 0.789 -8.832 -11.974 236 HA VAL 12 HA VAL 12 3.130 -7.761 -13.278 237 HB VAL 12 HB VAL 12 4.153 -9.990 -12.809 238 HG11 VAL 12 1HG1 VAL 12 4.187 -9.696 -10.324 239 HG12 VAL 12 2HG1 VAL 12 4.198 -8.116 -11.107 240 HG13 VAL 12 3HG1 VAL 12 2.691 -8.762 -10.379 241 HG21 VAL 12 3HG2 VAL 12 1.456 -10.632 -11.473 242 HG22 VAL 12 1HG2 VAL 12 2.046 -11.379 -12.971 243 HG23 VAL 12 2HG2 VAL 12 2.892 -11.631 -11.451 244 H GLU 13 H GLU 13 0.460 -9.834 -14.338 245 HA GLU 13 HA GLU 13 1.890 -10.570 -16.777 246 HB2 GLU 13 1HB GLU 13 -0.964 -10.607 -16.001 247 HB3 GLU 13 2HB GLU 13 -0.443 -10.923 -17.665 248 HG2 GLU 13 1HG GLU 13 0.953 -12.750 -16.884 249 HG3 GLU 13 2HG GLU 13 0.207 -12.568 -15.264 250 HE2 GLU 13 HE2 GLU 13 -0.005 -14.793 -16.590 251 H ALA 14 H ALA 14 -0.237 -7.843 -15.917 252 HA ALA 14 HA ALA 14 -0.308 -6.686 -18.563 253 HB1 ALA 14 3HB ALA 14 -1.722 -6.046 -16.547 254 HB2 ALA 14 1HB ALA 14 -0.296 -5.202 -15.868 255 HB3 ALA 14 2HB ALA 14 -1.016 -4.666 -17.400 256 H LEU 15 H LEU 15 1.995 -6.367 -15.846 257 HA LEU 15 HA LEU 15 3.556 -4.366 -17.174 258 HB2 LEU 15 1HB LEU 15 4.329 -6.413 -15.035 259 HB3 LEU 15 2HB LEU 15 5.390 -5.075 -15.583 260 HG LEU 15 HG LEU 15 2.650 -4.771 -14.338 261 HD11 LEU 15 1HD1 LEU 15 4.136 -5.708 -12.710 262 HD12 LEU 15 2HD1 LEU 15 3.954 -3.989 -12.347 263 HD13 LEU 15 3HD1 LEU 15 5.426 -4.559 -13.149 264 HD21 LEU 15 3HD2 LEU 15 3.106 -2.859 -15.718 265 HD22 LEU 15 1HD2 LEU 15 4.738 -2.726 -15.068 266 HD23 LEU 15 2HD2 LEU 15 3.331 -2.412 -14.031 267 H TYR 16 H TYR 16 3.778 -7.922 -17.076 268 HA TYR 16 HA TYR 16 6.107 -8.195 -18.569 269 HB2 TYR 16 1HB TYR 16 5.229 -10.173 -17.463 270 HB3 TYR 16 2HB TYR 16 3.708 -9.958 -18.268 271 HD1 TYR 16 HD2 TYR 16 7.286 -10.854 -18.968 272 HD2 TYR 16 HD1 TYR 16 3.222 -10.961 -20.365 273 HE1 TYR 16 HE2 TYR 16 8.005 -12.403 -20.814 274 HE2 TYR 16 HE1 TYR 16 3.979 -12.427 -22.269 275 HH TYR 16 HH TYR 16 5.750 -13.531 -23.331 276 H LEU 17 H LEU 17 2.771 -7.697 -19.555 277 HA LEU 17 HA LEU 17 3.315 -8.001 -22.362 278 HB2 LEU 17 1HB LEU 17 1.083 -6.848 -20.724 279 HB3 LEU 17 2HB LEU 17 1.106 -6.558 -22.477 280 HG LEU 17 HG LEU 17 1.038 -9.323 -21.206 281 HD11 LEU 17 1HD1 LEU 17 -0.962 -7.945 -20.588 282 HD12 LEU 17 2HD1 LEU 17 -1.367 -9.301 -21.696 283 HD13 LEU 17 3HD1 LEU 17 -1.237 -7.645 -22.331 284 HD21 LEU 17 3HD2 LEU 17 0.472 -8.220 -23.999 285 HD22 LEU 17 1HD2 LEU 17 0.259 -9.902 -23.538 286 HD23 LEU 17 2HD2 LEU 17 1.892 -9.183 -23.531 287 H VAL 18 H VAL 18 3.334 -5.229 -20.122 288 HA VAL 18 HA VAL 18 3.435 -3.398 -22.454 289 HB VAL 18 HB VAL 18 1.926 -3.049 -20.255 290 HG11 VAL 18 1HG1 VAL 18 2.831 -1.716 -18.506 291 HG12 VAL 18 2HG1 VAL 18 4.019 -2.970 -18.761 292 HG13 VAL 18 3HG1 VAL 18 4.288 -1.324 -19.420 293 HG21 VAL 18 3HG2 VAL 18 3.304 -0.918 -21.856 294 HG22 VAL 18 1HG2 VAL 18 1.649 -1.522 -21.988 295 HG23 VAL 18 2HG2 VAL 18 2.117 -0.517 -20.607 296 H CYS 19 H CYS 19 5.601 -4.507 -19.832 297 HA CYS 19 HA CYS 19 7.640 -2.566 -20.733 298 HB2 CYS 19 1HB CYS 19 7.393 -4.305 -18.266 299 HB3 CYS 19 2HB CYS 19 8.796 -3.214 -18.629 300 H GLY 20 H GLY 20 6.819 -5.908 -21.154 301 HA2 GLY 20 1HA GLY 20 7.915 -7.528 -22.356 302 HA3 GLY 20 2HA GLY 20 8.891 -6.216 -22.970 303 H GLU 21 H GLU 21 10.904 -6.804 -22.927 304 HA GLU 21 HA GLU 21 12.077 -8.758 -21.283 305 HB2 GLU 21 1HB GLU 21 14.131 -8.178 -22.401 306 HB3 GLU 21 2HB GLU 21 12.776 -8.190 -23.521 307 HG2 GLU 21 1HG GLU 21 12.744 -5.666 -23.412 308 HG3 GLU 21 2HG GLU 21 14.180 -5.808 -22.380 309 HE2 GLU 21 HE2 GLU 21 12.870 -6.723 -25.328 310 H ARG 22 H ARG 22 11.757 -5.368 -20.569 311 HA ARG 22 HA ARG 22 14.130 -5.363 -18.904 312 HB2 ARG 22 1HB ARG 22 11.959 -3.302 -19.116 313 HB3 ARG 22 2HB ARG 22 13.496 -3.136 -18.245 314 HG2 ARG 22 1HG ARG 22 14.581 -3.767 -20.571 315 HG3 ARG 22 2HG ARG 22 13.021 -3.235 -21.229 316 HD2 ARG 22 1HD ARG 22 14.512 -1.435 -21.313 317 HD3 ARG 22 2HD ARG 22 13.302 -1.066 -20.108 318 HE ARG 22 HE ARG 22 15.336 -2.239 -18.612 319 HH11 ARG 22 1HH1 ARG 22 15.118 0.611 -20.708 320 HH12 ARG 22 2HH1 ARG 22 16.403 1.453 -19.861 321 HH21 ARG 22 1HH2 ARG 22 16.930 -1.081 -17.577 322 HH22 ARG 22 2HH2 ARG 22 17.441 0.505 -18.121 323 H GLY 23 H GLY 23 10.783 -6.270 -18.594 324 HA2 GLY 23 1HA GLY 23 9.680 -7.212 -16.711 325 HA3 GLY 23 2HA GLY 23 11.264 -7.387 -15.961 326 H PHE 24 H PHE 24 10.373 -6.820 -13.967 327 HA PHE 24 HA PHE 24 10.031 -3.910 -13.407 328 HB2 PHE 24 1HB PHE 24 7.985 -4.568 -11.987 329 HB3 PHE 24 2HB PHE 24 7.712 -4.425 -13.750 330 HD1 PHE 24 HD1 PHE 24 8.061 -6.773 -10.914 331 HD2 PHE 24 HD2 PHE 24 7.088 -6.227 -15.060 332 HE1 PHE 24 HE1 PHE 24 7.143 -9.129 -10.968 333 HE2 PHE 24 HE2 PHE 24 6.102 -8.573 -15.143 334 HZ PHE 24 HZ PHE 24 6.193 -10.024 -13.153 335 H PHE 25 H PHE 25 10.073 -3.592 -10.938 336 HA PHE 25 HA PHE 25 12.059 -5.511 -9.792 337 HB2 PHE 25 1HB PHE 25 12.592 -3.133 -9.550 338 HB3 PHE 25 2HB PHE 25 11.009 -2.785 -8.877 339 HD1 PHE 25 HD2 PHE 25 13.474 -5.529 -7.997 340 HD2 PHE 25 HD1 PHE 25 11.324 -2.091 -6.632 341 HE1 PHE 25 HE2 PHE 25 14.189 -6.022 -5.679 342 HE2 PHE 25 HE1 PHE 25 12.120 -2.532 -4.272 343 HZ PHE 25 HZ PHE 25 13.466 -4.506 -3.794 344 H NVA 26 H ARX 26 11.103 -7.315 -9.178 345 HA NVA 26 HA ARX 26 8.836 -7.125 -7.263 346 HB2 NVA 26 1HB ARX 26 8.665 -8.883 -9.173 347 HB3 NVA 26 2HB ARX 26 10.084 -9.702 -8.502 348 HG2 NVA 26 1HG ARX 26 8.726 -9.745 -6.204 349 HG3 NVA 26 2HG ARX 26 7.314 -9.260 -7.143 350 HD2 NVA 26 1HD ARX 26 7.191 -11.266 -8.266 351 HD3 NVA 26 2HD ARX 26 8.913 -11.595 -8.155 352 H THR 27 H THR 27 9.189 -7.179 -5.174 353 HA THR 27 HA THR 27 11.810 -7.452 -4.094 354 HB THR 27 HB THR 27 10.489 -7.588 -1.829 355 HG1 THR 27 HG1 THR 27 8.399 -8.066 -2.229 356 HG21 THR 27 1HG2 THR 27 10.045 -5.210 -3.781 357 HG22 THR 27 2HG2 THR 27 11.310 -5.384 -2.572 358 HG23 THR 27 3HG2 THR 27 9.636 -5.161 -2.047 359 HA PRO 28 HA PRO 28 12.274 -11.708 -3.836 360 HB2 PRO 28 1HB PRO 28 12.927 -11.412 -0.889 361 HB3 PRO 28 2HB PRO 28 13.784 -12.332 -2.225 362 HG2 PRO 28 1HG PRO 28 14.692 -10.025 -1.329 363 HG3 PRO 28 2HG PRO 28 14.680 -10.387 -3.133 364 HD2 PRO 28 1HD PRO 28 12.826 -8.625 -1.508 365 HD3 PRO 28 2HD PRO 28 13.511 -8.391 -3.141 366 H HIX 29 H HIX 29 10.792 -13.238 -3.776 367 HA HIX 29 HA HIX 29 8.360 -13.042 -2.174 368 HB1 HIX 29 1HB HIX 29 9.344 -15.061 -4.253 369 HB2 HIX 29 2HB HIX 29 7.784 -15.136 -3.498 370 HD2 HIX 29 HD2 HIX 29 9.841 -12.922 -6.087 371 HD1 HIX 29 HD1 HIX 29 5.977 -13.235 -4.341 372 H THR 30 H THR 30 8.804 -13.416 -0.144 373 HA THR 30 HA THR 30 8.807 -16.020 0.955 374 HB THR 30 HB THR 30 11.246 -15.867 0.459 375 HG1 THR 30 HG1 THR 30 10.935 -17.245 2.079 376 HG21 THR 30 1HG2 THR 30 11.690 -13.525 0.828 377 HG22 THR 30 2HG2 THR 30 12.721 -14.539 1.849 378 HG23 THR 30 3HG2 THR 30 11.380 -13.689 2.527 379 HXT THR 30 H02 THR 30 8.200 -14.505 3.952 Start of MODEL 20 1 H1 GLY 1 2H0 GLY 1 1.444 -1.862 -0.312 2 H2 GLY 1 1H0 GLY 1 -0.067 -1.418 -0.843 3 HA2 GLY 1 1HA GLY 1 1.383 0.496 -1.105 4 HA3 GLY 1 2HA GLY 1 2.538 -0.494 -1.997 5 H ILE 2 H ILE 2 2.617 0.142 -3.892 6 HA ILE 2 HA ILE 2 0.541 1.359 -5.348 7 HB ILE 2 HB ILE 2 3.006 1.565 -5.854 8 HG12 ILE 2 1HG1 ILE 2 2.735 1.385 -8.377 9 HG13 ILE 2 2HG1 ILE 2 1.070 0.911 -8.083 10 HG21 ILE 2 1HG2 ILE 2 2.729 -1.122 -7.257 11 HG22 ILE 2 2HG2 ILE 2 4.141 -0.048 -7.256 12 HG23 ILE 2 3HG2 ILE 2 3.603 -0.801 -5.730 13 HD11 ILE 2 3HD1 ILE 2 1.122 3.273 -8.519 14 HD12 ILE 2 1HD1 ILE 2 0.728 3.047 -6.778 15 HD13 ILE 2 2HD1 ILE 2 2.400 3.533 -7.300 16 H VAL 3 H VAL 3 1.375 -2.129 -5.070 17 HA VAL 3 HA VAL 3 -0.271 -3.134 -7.148 18 HB VAL 3 HB VAL 3 0.507 -4.236 -4.414 19 HG11 VAL 3 1HG1 VAL 3 -1.603 -5.305 -4.868 20 HG12 VAL 3 2HG1 VAL 3 -1.153 -5.617 -6.530 21 HG13 VAL 3 3HG1 VAL 3 -0.378 -6.477 -5.193 22 HG21 VAL 3 3HG2 VAL 3 1.950 -5.786 -5.709 23 HG22 VAL 3 1HG2 VAL 3 1.379 -5.014 -7.213 24 HG23 VAL 3 2HG2 VAL 3 2.305 -4.077 -6.032 25 H GLU 4 H GLU 4 -1.056 -2.299 -3.745 26 HA GLU 4 HA GLU 4 -3.767 -3.155 -3.889 27 HB2 GLU 4 1HB GLU 4 -2.361 -2.632 -1.829 28 HB3 GLU 4 2HB GLU 4 -2.743 -0.941 -2.135 29 HG2 GLU 4 1HG GLU 4 -5.162 -1.550 -1.968 30 HG3 GLU 4 2HG GLU 4 -4.679 -3.249 -1.672 31 HE2 GLU 4 HE2 GLU 4 -3.986 -2.821 1.542 32 H GLN 5 H GLN 5 -2.160 -0.102 -4.726 33 HA GLN 5 HA GLN 5 -4.702 1.347 -5.098 34 HB2 GLN 5 1HB GLN 5 -1.882 1.960 -6.099 35 HB3 GLN 5 2HB GLN 5 -3.285 3.022 -6.281 36 HG2 GLN 5 1HG GLN 5 -3.551 2.791 -3.716 37 HG3 GLN 5 2HG GLN 5 -1.865 2.145 -3.702 38 HE21 GLN 5 2HE2 GLN 5 -3.932 4.864 -3.673 39 HE22 GLN 5 1HE2 GLN 5 -2.692 6.084 -3.913 40 H CYS 6 H CYS 6 -2.521 -0.501 -7.244 41 HA CYS 6 HA CYS 6 -3.951 0.104 -9.659 42 HB2 CYS 6 1HB CYS 6 -1.621 -0.967 -9.340 43 HB3 CYS 6 2HB CYS 6 -2.550 -2.463 -9.086 44 H CYS 7 H CYS 7 -4.495 -2.252 -7.052 45 HA CYS 7 HA CYS 7 -6.515 -3.695 -8.524 46 HB2 CYS 7 1HB CYS 7 -5.209 -4.635 -6.663 47 HB3 CYS 7 2HB CYS 7 -5.926 -3.489 -5.554 48 H THR 8 H THR 8 -6.735 -1.325 -5.841 49 HA THR 8 HA THR 8 -9.592 -1.375 -5.853 50 HB THR 8 HB THR 8 -8.069 -0.834 -3.878 51 HG1 THR 8 HG1 THR 8 -9.627 0.612 -3.018 52 HG21 THR 8 1HG2 THR 8 -7.240 1.403 -3.566 53 HG22 THR 8 2HG2 THR 8 -8.116 2.010 -4.927 54 HG23 THR 8 3HG2 THR 8 -6.744 0.908 -5.226 55 H SER 9 H SER 9 -7.380 0.468 -7.838 56 HA SER 9 HA SER 9 -9.687 2.169 -8.732 57 HB2 SER 9 1HB SER 9 -7.926 3.400 -7.469 58 HB3 SER 9 2HB SER 9 -6.762 2.883 -8.698 59 HG SER 9 HG SER 9 -7.660 4.929 -9.213 60 H ILE 10 H ILE 10 -8.998 2.988 -11.090 61 HA ILE 10 HA ILE 10 -8.588 0.495 -12.688 62 HB ILE 10 HB ILE 10 -9.311 3.390 -13.453 63 HG12 ILE 10 1HG1 ILE 10 -11.092 2.055 -12.341 64 HG13 ILE 10 2HG1 ILE 10 -11.529 2.558 -13.962 65 HG21 ILE 10 1HG2 ILE 10 -8.073 2.500 -15.355 66 HG22 ILE 10 2HG2 ILE 10 -8.911 0.959 -15.246 67 HG23 ILE 10 3HG2 ILE 10 -9.768 2.392 -15.796 68 HD11 ILE 10 3HD1 ILE 10 -11.056 0.330 -14.849 69 HD12 ILE 10 1HD1 ILE 10 -10.547 -0.238 -13.227 70 HD13 ILE 10 2HD1 ILE 10 -12.258 0.247 -13.528 71 H CYS 11 H CYS 11 -6.710 -0.068 -13.465 72 HA CYS 11 HA CYS 11 -4.475 1.828 -13.240 73 HB2 CYS 11 1HB CYS 11 -4.877 -1.027 -13.097 74 HB3 CYS 11 2HB CYS 11 -3.687 -0.674 -14.363 75 H SER 12 H SER 12 -3.645 2.870 -14.834 76 HA SER 12 HA SER 12 -4.727 2.420 -17.538 77 HB2 SER 12 1HB SER 12 -2.876 4.647 -16.568 78 HB3 SER 12 2HB SER 12 -3.851 4.675 -18.017 79 HG SER 12 HG SER 12 -4.933 4.487 -15.336 80 H LEU 13 H LEU 13 -3.358 2.604 -19.416 81 HA LEU 13 HA LEU 13 -1.100 0.905 -19.438 82 HB2 LEU 13 1HB LEU 13 -2.145 3.053 -21.261 83 HB3 LEU 13 2HB LEU 13 -0.569 2.365 -21.615 84 HG LEU 13 HG LEU 13 -3.082 0.681 -21.252 85 HD11 LEU 13 1HD1 LEU 13 -3.424 2.410 -22.965 86 HD12 LEU 13 2HD1 LEU 13 -3.389 0.760 -23.657 87 HD13 LEU 13 3HD1 LEU 13 -1.996 1.848 -23.832 88 HD21 LEU 13 3HD2 LEU 13 -1.028 -0.656 -21.250 89 HD22 LEU 13 1HD2 LEU 13 -0.416 0.208 -22.695 90 HD23 LEU 13 2HD2 LEU 13 -1.814 -0.899 -22.782 91 H TYR 14 H TYR 14 -1.224 4.489 -19.200 92 HA TYR 14 HA TYR 14 1.626 4.799 -19.404 93 HB2 TYR 14 1HB TYR 14 0.105 6.798 -17.773 94 HB3 TYR 14 2HB TYR 14 1.136 7.075 -19.169 95 HD1 TYR 14 HD2 TYR 14 0.119 6.152 -21.505 96 HD2 TYR 14 HD1 TYR 14 -2.145 7.006 -17.951 97 HE1 TYR 14 HE2 TYR 14 -1.969 6.353 -22.844 98 HE2 TYR 14 HE1 TYR 14 -4.145 7.216 -19.266 99 HH TYR 14 HH TYR 14 -4.337 6.692 -22.702 100 H GLN 15 H GLN 15 -0.635 4.334 -16.762 101 HA GLN 15 HA GLN 15 1.270 4.858 -14.683 102 HB2 GLN 15 1HB GLN 15 -1.262 3.192 -14.635 103 HB3 GLN 15 2HB GLN 15 -0.339 3.639 -13.207 104 HG2 GLN 15 1HG GLN 15 -0.813 6.059 -13.690 105 HG3 GLN 15 2HG GLN 15 -1.744 5.536 -15.103 106 HE21 GLN 15 2HE2 GLN 15 -2.245 6.744 -12.232 107 HE22 GLN 15 1HE2 GLN 15 -3.724 5.908 -11.836 108 H LEU 16 H LEU 16 0.234 1.884 -16.309 109 HA LEU 16 HA LEU 16 1.906 0.150 -14.726 110 HB2 LEU 16 1HB LEU 16 0.814 -0.043 -17.544 111 HB3 LEU 16 2HB LEU 16 1.713 -1.367 -16.764 112 HG LEU 16 HG LEU 16 -0.861 -0.072 -15.709 113 HD11 LEU 16 1HD1 LEU 16 -0.547 -2.733 -17.070 114 HD12 LEU 16 2HD1 LEU 16 -1.156 -1.281 -17.852 115 HD13 LEU 16 3HD1 LEU 16 -2.045 -2.002 -16.511 116 HD21 LEU 16 3HD2 LEU 16 0.626 -2.589 -14.834 117 HD22 LEU 16 1HD2 LEU 16 -0.990 -2.163 -14.297 118 HD23 LEU 16 2HD2 LEU 16 0.377 -1.121 -13.892 119 H GLU 17 H GLU 17 2.519 2.020 -17.745 120 HA GLU 17 HA GLU 17 5.097 0.902 -18.159 121 HB2 GLU 17 1HB GLU 17 3.777 3.427 -18.940 122 HB3 GLU 17 2HB GLU 17 5.464 3.197 -19.326 123 HG2 GLU 17 1HG GLU 17 4.004 0.825 -20.142 124 HG3 GLU 17 2HG GLU 17 3.220 2.274 -20.824 125 HE2 GLU 17 HE2 GLU 17 5.044 0.101 -21.651 126 H ASN 18 H ASN 18 3.972 3.625 -16.107 127 HA ASN 18 HA ASN 18 6.653 4.604 -15.499 128 HB2 ASN 18 1HB ASN 18 3.933 4.881 -14.190 129 HB3 ASN 18 2HB ASN 18 5.356 5.425 -13.347 130 HD21 ASN 18 2HD2 ASN 18 3.087 6.918 -14.397 131 HD22 ASN 18 1HD2 ASN 18 3.816 8.121 -15.406 132 H TYR 19 H TYR 19 4.939 1.719 -14.465 133 HA TYR 19 HA TYR 19 6.471 1.537 -11.962 134 HB2 TYR 19 1HB TYR 19 4.827 -0.637 -13.367 135 HB3 TYR 19 2HB TYR 19 5.430 -0.665 -11.705 136 HD1 TYR 19 HD2 TYR 19 4.499 2.467 -11.452 137 HD2 TYR 19 HD1 TYR 19 2.656 -1.281 -12.444 138 HE1 TYR 19 HE2 TYR 19 2.242 3.327 -10.661 139 HE2 TYR 19 HE1 TYR 19 0.454 -0.417 -11.632 140 HH TYR 19 HH TYR 19 -0.723 1.324 -10.847 141 H CYS 20 H CYS 20 7.185 1.194 -15.225 142 HA CYS 20 HA CYS 20 9.281 -0.878 -14.735 143 HB2 CYS 20 1HB CYS 20 7.134 -1.546 -16.130 144 HB3 CYS 20 2HB CYS 20 7.829 -0.529 -17.391 145 H ASN 21 H ASN 21 10.355 -0.636 -17.385 146 HA ASN 21 HA ASN 21 11.600 2.137 -17.184 147 HB2 ASN 21 1HB ASN 21 13.259 0.370 -17.053 148 HB3 ASN 21 2HB ASN 21 12.658 -0.380 -18.563 149 HD21 ASN 21 2HD2 ASN 21 13.980 0.074 -20.262 150 HD22 ASN 21 1HD2 ASN 21 14.858 1.549 -20.428 151 HXT ASN 21 H02 ASN 21 10.162 3.181 -19.981 152 H1 PHE 1 2H0 PHE 1 -5.348 -4.015 -26.086 153 H2 PHE 1 1H0 PHE 1 -6.929 -3.496 -26.064 154 HA PHE 1 HA PHE 1 -5.946 -3.930 -23.826 155 HB2 PHE 1 1HB PHE 1 -3.653 -2.960 -24.474 156 HB3 PHE 1 2HB PHE 1 -4.456 -1.361 -24.340 157 HD1 PHE 1 HD1 PHE 1 -5.451 -0.727 -22.007 158 HD2 PHE 1 HD2 PHE 1 -2.876 -4.143 -22.601 159 HE1 PHE 1 HE1 PHE 1 -4.967 -0.755 -19.601 160 HE2 PHE 1 HE2 PHE 1 -2.338 -4.163 -20.222 161 HZ PHE 1 HZ PHE 1 -3.426 -2.450 -18.677 162 H VAL 2 H VAL 2 -7.176 -3.306 -22.242 163 HA VAL 2 HA VAL 2 -8.542 -0.695 -22.510 164 HB VAL 2 HB VAL 2 -9.865 -3.230 -21.484 165 HG11 VAL 2 1HG1 VAL 2 -10.996 -0.457 -21.988 166 HG12 VAL 2 2HG1 VAL 2 -11.933 -1.854 -21.429 167 HG13 VAL 2 3HG1 VAL 2 -10.705 -1.173 -20.382 168 HG21 VAL 2 3HG2 VAL 2 -10.179 -1.730 -24.113 169 HG22 VAL 2 1HG2 VAL 2 -9.763 -3.438 -23.882 170 HG23 VAL 2 2HG2 VAL 2 -11.420 -2.866 -23.523 171 H ASN 3 H ASN 3 -8.234 0.575 -20.780 172 HA ASN 3 HA ASN 3 -6.641 -0.301 -18.541 173 HB2 ASN 3 1HB ASN 3 -8.660 2.007 -18.772 174 HB3 ASN 3 2HB ASN 3 -7.499 1.811 -17.486 175 HD21 ASN 3 2HD2 ASN 3 -7.704 4.018 -19.199 176 HD22 ASN 3 1HD2 ASN 3 -6.255 4.139 -20.156 177 H GLN 4 H GLN 4 -7.182 -1.226 -16.553 178 HA GLN 4 HA GLN 4 -9.988 -1.448 -15.761 179 HB2 GLN 4 1HB GLN 4 -9.964 -3.936 -15.892 180 HB3 GLN 4 2HB GLN 4 -9.858 -3.197 -17.461 181 HG2 GLN 4 1HG GLN 4 -7.338 -3.535 -17.285 182 HG3 GLN 4 2HG GLN 4 -7.686 -4.637 -15.907 183 HE21 GLN 4 2HE2 GLN 4 -8.024 -4.123 -19.373 184 HE22 GLN 4 1HE2 GLN 4 -8.545 -5.746 -19.708 185 H HIS 5 H HIS 5 -10.096 -2.987 -13.800 186 HA HIS 5 HA HIS 5 -8.138 -2.146 -11.810 187 HB2 HIS 5 1HB HIS 5 -10.493 -4.151 -11.845 188 HB3 HIS 5 2HB HIS 5 -9.478 -3.825 -10.398 189 HD1 HIS 5 HD1 HIS 5 -9.528 -1.279 -9.473 190 HD2 HIS 5 HD2 HIS 5 -12.565 -2.327 -12.187 191 HE1 HIS 5 HE1 HIS 5 -11.364 0.515 -9.331 192 HE2 HIS 5 HE2 HIS 5 -13.171 -0.163 -10.868 193 H LEU 6 H LEU 6 -6.280 -3.319 -11.179 194 HA LEU 6 HA LEU 6 -6.115 -6.108 -12.262 195 HB2 LEU 6 1HB LEU 6 -3.895 -4.044 -12.171 196 HB3 LEU 6 2HB LEU 6 -3.663 -5.721 -12.612 197 HG LEU 6 HG LEU 6 -5.316 -3.752 -14.137 198 HD11 LEU 6 1HD1 LEU 6 -2.981 -3.183 -14.023 199 HD12 LEU 6 2HD1 LEU 6 -3.432 -3.709 -15.676 200 HD13 LEU 6 3HD1 LEU 6 -2.560 -4.816 -14.580 201 HD21 LEU 6 3HD2 LEU 6 -4.355 -6.456 -15.006 202 HD22 LEU 6 1HD2 LEU 6 -5.339 -5.330 -15.986 203 HD23 LEU 6 2HD2 LEU 6 -6.040 -6.107 -14.523 204 H CYS 7 H CYS 7 -6.037 -7.469 -10.554 205 HA CYS 7 HA CYS 7 -4.554 -6.656 -8.074 206 HB2 CYS 7 1HB CYS 7 -6.913 -8.529 -8.261 207 HB3 CYS 7 2HB CYS 7 -6.212 -7.871 -6.794 208 H GLY 8 H GLY 8 -3.502 -8.530 -6.901 209 HA2 GLY 8 1HA GLY 8 -2.398 -10.524 -6.835 210 HA3 GLY 8 2HA GLY 8 -3.658 -11.158 -7.880 211 H SER 9 H SER 9 -2.427 -12.375 -9.239 212 HA SER 9 HA SER 9 -0.011 -11.485 -10.469 213 HB2 SER 9 1HB SER 9 -1.803 -13.599 -11.588 214 HB3 SER 9 2HB SER 9 -0.030 -13.525 -11.529 215 HG SER 9 HG SER 9 -0.288 -14.652 -9.694 216 H HIS 10 H HIS 10 -3.091 -10.268 -11.117 217 HA HIS 10 HA HIS 10 -2.872 -10.254 -14.035 218 HB2 HIS 10 1HB HIS 10 -4.434 -8.500 -12.172 219 HB3 HIS 10 2HB HIS 10 -4.450 -8.352 -13.915 220 HD1 HIS 10 HD1 HIS 10 -6.542 -9.323 -14.876 221 HD2 HIS 10 HD2 HIS 10 -5.025 -11.603 -11.721 222 HE1 HIS 10 HE1 HIS 10 -8.109 -11.294 -14.570 223 HE2 HIS 10 HE2 HIS 10 -7.163 -12.682 -12.688 224 H LEU 11 H LEU 11 -1.516 -8.387 -11.341 225 HA LEU 11 HA LEU 11 -0.795 -6.084 -12.939 226 HB2 LEU 11 1HB LEU 11 -0.321 -7.145 -10.206 227 HB3 LEU 11 2HB LEU 11 1.078 -6.294 -10.838 228 HG LEU 11 HG LEU 11 -1.469 -4.881 -11.283 229 HD11 LEU 11 1HD1 LEU 11 -2.099 -5.673 -9.189 230 HD12 LEU 11 2HD1 LEU 11 -1.497 -4.033 -8.938 231 HD13 LEU 11 3HD1 LEU 11 -0.418 -5.383 -8.539 232 HD21 LEU 11 3HD2 LEU 11 0.777 -4.005 -11.792 233 HD22 LEU 11 1HD2 LEU 11 1.219 -4.128 -10.042 234 HD23 LEU 11 2HD2 LEU 11 -0.026 -2.976 -10.626 235 H VAL 12 H VAL 12 1.068 -9.001 -11.865 236 HA VAL 12 HA VAL 12 3.522 -8.168 -13.051 237 HB VAL 12 HB VAL 12 3.660 -9.828 -11.319 238 HG11 VAL 12 1HG1 VAL 12 1.525 -10.818 -11.473 239 HG12 VAL 12 2HG1 VAL 12 1.951 -11.582 -13.075 240 HG13 VAL 12 3HG1 VAL 12 2.775 -12.059 -11.514 241 HG21 VAL 12 3HG2 VAL 12 4.367 -11.184 -13.947 242 HG22 VAL 12 1HG2 VAL 12 5.367 -10.046 -13.052 243 HG23 VAL 12 2HG2 VAL 12 4.970 -11.603 -12.294 244 H GLU 13 H GLU 13 0.817 -10.153 -14.325 245 HA GLU 13 HA GLU 13 2.179 -10.707 -16.801 246 HB2 GLU 13 1HB GLU 13 -0.688 -10.798 -15.799 247 HB3 GLU 13 2HB GLU 13 -0.373 -10.789 -17.536 248 HG2 GLU 13 1HG GLU 13 0.967 -12.729 -15.650 249 HG3 GLU 13 2HG GLU 13 -0.577 -13.063 -16.470 250 HE2 GLU 13 HE2 GLU 13 2.371 -13.815 -16.501 251 H ALA 14 H ALA 14 -0.010 -8.014 -15.766 252 HA ALA 14 HA ALA 14 -0.180 -6.963 -18.416 253 HB1 ALA 14 3HB ALA 14 -0.969 -4.937 -17.429 254 HB2 ALA 14 1HB ALA 14 -1.642 -6.271 -16.470 255 HB3 ALA 14 2HB ALA 14 -0.233 -5.370 -15.843 256 H LEU 15 H LEU 15 2.129 -6.356 -15.711 257 HA LEU 15 HA LEU 15 3.572 -4.364 -17.151 258 HB2 LEU 15 1HB LEU 15 4.384 -6.197 -14.828 259 HB3 LEU 15 2HB LEU 15 5.382 -4.841 -15.461 260 HG LEU 15 HG LEU 15 2.525 -4.516 -14.442 261 HD11 LEU 15 1HD1 LEU 15 3.444 -3.690 -12.292 262 HD12 LEU 15 2HD1 LEU 15 5.089 -4.029 -12.884 263 HD13 LEU 15 3HD1 LEU 15 3.952 -5.375 -12.583 264 HD21 LEU 15 3HD2 LEU 15 3.130 -2.178 -14.314 265 HD22 LEU 15 1HD2 LEU 15 3.319 -2.786 -15.968 266 HD23 LEU 15 2HD2 LEU 15 4.726 -2.508 -14.916 267 H TYR 16 H TYR 16 3.874 -7.875 -17.077 268 HA TYR 16 HA TYR 16 6.358 -7.982 -18.501 269 HB2 TYR 16 1HB TYR 16 5.484 -9.944 -17.419 270 HB3 TYR 16 2HB TYR 16 4.001 -9.846 -18.356 271 HD1 TYR 16 HD1 TYR 16 7.656 -10.472 -18.653 272 HD2 TYR 16 HD2 TYR 16 3.807 -10.942 -20.459 273 HE1 TYR 16 HE1 TYR 16 8.665 -12.008 -20.338 274 HE2 TYR 16 HE2 TYR 16 4.815 -12.543 -22.139 275 HH TYR 16 HH TYR 16 8.352 -13.333 -22.115 276 H LEU 17 H LEU 17 2.915 -7.936 -19.655 277 HA LEU 17 HA LEU 17 3.647 -8.085 -22.425 278 HB2 LEU 17 1HB LEU 17 1.144 -7.006 -20.998 279 HB3 LEU 17 2HB LEU 17 1.273 -7.226 -22.733 280 HG LEU 17 HG LEU 17 1.518 -9.529 -20.870 281 HD11 LEU 17 1HD1 LEU 17 -0.943 -8.493 -22.343 282 HD12 LEU 17 2HD1 LEU 17 -0.739 -8.580 -20.591 283 HD13 LEU 17 3HD1 LEU 17 -0.839 -10.101 -21.604 284 HD21 LEU 17 3HD2 LEU 17 2.613 -9.945 -22.955 285 HD22 LEU 17 1HD2 LEU 17 1.191 -9.322 -23.856 286 HD23 LEU 17 2HD2 LEU 17 1.055 -10.812 -22.939 287 H VAL 18 H VAL 18 3.032 -5.330 -20.248 288 HA VAL 18 HA VAL 18 2.964 -3.508 -22.489 289 HB VAL 18 HB VAL 18 1.818 -3.380 -20.063 290 HG11 VAL 18 1HG1 VAL 18 2.831 -1.856 -18.612 291 HG12 VAL 18 2HG1 VAL 18 4.000 -3.128 -18.907 292 HG13 VAL 18 3HG1 VAL 18 4.192 -1.534 -19.731 293 HG21 VAL 18 3HG2 VAL 18 1.242 -1.975 -21.974 294 HG22 VAL 18 1HG2 VAL 18 1.410 -0.980 -20.435 295 HG23 VAL 18 2HG2 VAL 18 2.742 -0.977 -21.647 296 H CYS 19 H CYS 19 5.524 -4.640 -20.334 297 HA CYS 19 HA CYS 19 7.292 -2.443 -21.207 298 HB2 CYS 19 1HB CYS 19 6.935 -3.447 -18.764 299 HB3 CYS 19 2HB CYS 19 8.096 -4.610 -19.298 300 H GLY 20 H GLY 20 6.910 -5.900 -21.447 301 HA2 GLY 20 1HA GLY 20 7.772 -7.171 -23.288 302 HA3 GLY 20 2HA GLY 20 9.043 -6.007 -23.500 303 H GLU 21 H GLU 21 11.058 -6.712 -22.807 304 HA GLU 21 HA GLU 21 10.982 -9.143 -21.070 305 HB2 GLU 21 1HB GLU 21 13.068 -8.185 -23.053 306 HB3 GLU 21 2HB GLU 21 13.357 -9.470 -21.930 307 HG2 GLU 21 1HG GLU 21 11.360 -10.704 -22.841 308 HG3 GLU 21 2HG GLU 21 11.262 -9.427 -24.115 309 HE2 GLU 21 HE2 GLU 21 13.196 -12.355 -25.174 310 H ARG 22 H ARG 22 11.970 -5.852 -21.015 311 HA ARG 22 HA ARG 22 14.267 -6.100 -19.335 312 HB2 ARG 22 1HB ARG 22 12.298 -3.831 -19.803 313 HB3 ARG 22 2HB ARG 22 13.651 -3.705 -18.624 314 HG2 ARG 22 1HG ARG 22 13.968 -4.276 -21.598 315 HG3 ARG 22 2HG ARG 22 14.161 -2.702 -20.845 316 HD2 ARG 22 1HD ARG 22 15.823 -5.241 -20.402 317 HD3 ARG 22 2HD ARG 22 16.341 -3.766 -21.254 318 HE ARG 22 HE ARG 22 15.624 -3.055 -18.606 319 HH11 ARG 22 1HH1 ARG 22 18.192 -4.664 -20.285 320 HH12 ARG 22 2HH1 ARG 22 19.406 -4.240 -19.116 321 HH21 ARG 22 1HH2 ARG 22 17.155 -2.516 -17.113 322 HH22 ARG 22 2HH2 ARG 22 18.822 -3.021 -17.312 323 H GLY 23 H GLY 23 10.838 -6.006 -18.620 324 HA2 GLY 23 1HA GLY 23 9.734 -6.731 -16.711 325 HA3 GLY 23 2HA GLY 23 11.302 -7.324 -16.148 326 H PHE 24 H PHE 24 9.642 -6.495 -14.300 327 HA PHE 24 HA PHE 24 10.589 -3.797 -13.503 328 HB2 PHE 24 1HB PHE 24 8.550 -3.461 -12.338 329 HB3 PHE 24 2HB PHE 24 8.152 -3.875 -14.037 330 HD1 PHE 24 HD1 PHE 24 7.544 -6.391 -14.548 331 HD2 PHE 24 HD2 PHE 24 7.493 -4.689 -10.595 332 HE1 PHE 24 HE1 PHE 24 6.131 -8.221 -13.790 333 HE2 PHE 24 HE2 PHE 24 6.046 -6.520 -9.806 334 HZ PHE 24 HZ PHE 24 5.346 -8.318 -11.369 335 H PHE 25 H PHE 25 10.157 -3.760 -10.935 336 HA PHE 25 HA PHE 25 11.412 -6.280 -9.928 337 HB2 PHE 25 1HB PHE 25 13.089 -4.532 -10.319 338 HB3 PHE 25 2HB PHE 25 12.209 -3.432 -9.274 339 HD1 PHE 25 HD1 PHE 25 14.080 -6.660 -9.317 340 HD2 PHE 25 HD2 PHE 25 12.542 -3.431 -6.872 341 HE1 PHE 25 HE1 PHE 25 15.331 -7.537 -7.363 342 HE2 PHE 25 HE2 PHE 25 13.858 -4.305 -4.924 343 HZ PHE 25 HZ PHE 25 15.234 -6.385 -5.200 344 H NVA 26 H ARX 26 10.285 -7.146 -8.371 345 HA NVA 26 HA ARX 26 8.254 -5.600 -6.806 346 HB2 NVA 26 1HB ARX 26 7.049 -7.662 -6.494 347 HB3 NVA 26 2HB ARX 26 7.230 -7.387 -8.205 348 HG2 NVA 26 1HG ARX 26 8.950 -9.131 -8.374 349 HG3 NVA 26 2HG ARX 26 9.089 -9.248 -6.617 350 HD2 NVA 26 1HD ARX 26 6.314 -9.666 -7.436 351 HD3 NVA 26 2HD ARX 26 7.388 -10.725 -8.354 352 H THR 27 H THR 27 11.251 -6.609 -6.292 353 HA THR 27 HA THR 27 12.699 -7.028 -4.582 354 HB THR 27 HB THR 27 12.174 -6.660 -2.320 355 HG1 THR 27 HG1 THR 27 9.489 -6.978 -3.076 356 HG21 THR 27 1HG2 THR 27 11.109 -4.540 -2.255 357 HG22 THR 27 2HG2 THR 27 10.316 -4.853 -3.810 358 HG23 THR 27 3HG2 THR 27 12.086 -4.630 -3.757 359 HA PRO 28 HA PRO 28 12.539 -11.225 -4.535 360 HB2 PRO 28 1HB PRO 28 13.804 -12.202 -2.354 361 HB3 PRO 28 2HB PRO 28 14.669 -11.369 -3.648 362 HG2 PRO 28 1HG PRO 28 13.620 -10.329 -1.021 363 HG3 PRO 28 2HG PRO 28 15.262 -10.165 -1.715 364 HD2 PRO 28 1HD PRO 28 13.428 -8.192 -1.947 365 HD3 PRO 28 2HD PRO 28 14.556 -8.566 -3.312 366 H HIX 29 H HIX 29 10.997 -12.558 -4.382 367 HA HIX 29 HA HIX 29 8.914 -12.622 -2.343 368 HB1 HIX 29 1HB HIX 29 9.294 -14.251 -4.894 369 HB2 HIX 29 2HB HIX 29 7.950 -14.416 -3.808 370 HD2 HIX 29 HD2 HIX 29 9.268 -12.067 -6.629 371 HD1 HIX 29 HD1 HIX 29 6.198 -12.172 -3.739 372 H THR 30 H THR 30 10.028 -13.209 -0.518 373 HA THR 30 HA THR 30 10.137 -16.160 -0.007 374 HB THR 30 HB THR 30 12.461 -15.210 1.286 375 HG1 THR 30 HG1 THR 30 13.569 -14.385 -0.712 376 HG21 THR 30 1HG2 THR 30 12.244 -16.704 -1.454 377 HG22 THR 30 2HG2 THR 30 12.221 -17.461 0.162 378 HG23 THR 30 3HG2 THR 30 13.701 -16.705 -0.358 379 HXT THR 30 H02 THR 30 9.896 -16.572 1.831 Start of MODEL 21 1 H1 GLY 1 2H0 GLY 1 -0.446 -1.697 -0.694 2 H2 GLY 1 1H0 GLY 1 0.505 -0.936 0.440 3 HA2 GLY 1 1HA GLY 1 1.746 0.231 -1.248 4 HA3 GLY 1 2HA GLY 1 1.826 -1.528 -1.595 5 H ILE 2 H ILE 2 2.570 -0.460 -3.662 6 HA ILE 2 HA ILE 2 0.712 0.773 -5.397 7 HB ILE 2 HB ILE 2 3.199 0.620 -5.745 8 HG12 ILE 2 1HG1 ILE 2 3.086 0.460 -8.265 9 HG13 ILE 2 2HG1 ILE 2 1.453 -0.230 -8.102 10 HG21 ILE 2 1HG2 ILE 2 2.693 -2.184 -6.832 11 HG22 ILE 2 2HG2 ILE 2 4.217 -1.312 -6.880 12 HG23 ILE 2 3HG2 ILE 2 3.525 -1.798 -5.301 13 HD11 ILE 2 3HD1 ILE 2 0.646 1.916 -7.263 14 HD12 ILE 2 1HD1 ILE 2 2.292 2.501 -7.081 15 HD13 ILE 2 2HD1 ILE 2 1.635 2.209 -8.686 16 H VAL 3 H VAL 3 1.110 -2.676 -4.654 17 HA VAL 3 HA VAL 3 -0.462 -3.576 -6.928 18 HB VAL 3 HB VAL 3 -0.077 -4.842 -4.198 19 HG11 VAL 3 1HG1 VAL 3 -1.923 -5.916 -5.386 20 HG12 VAL 3 2HG1 VAL 3 -0.960 -6.023 -6.864 21 HG13 VAL 3 3HG1 VAL 3 -0.482 -6.986 -5.416 22 HG21 VAL 3 3HG2 VAL 3 1.757 -6.197 -5.424 23 HG22 VAL 3 1HG2 VAL 3 1.665 -4.994 -6.740 24 HG23 VAL 3 2HG2 VAL 3 2.178 -4.485 -5.118 25 H GLU 4 H GLU 4 -1.213 -2.541 -3.505 26 HA GLU 4 HA GLU 4 -3.907 -3.303 -3.627 27 HB2 GLU 4 1HB GLU 4 -2.166 -1.937 -1.838 28 HB3 GLU 4 2HB GLU 4 -3.614 -0.914 -2.095 29 HG2 GLU 4 1HG GLU 4 -5.067 -2.728 -1.373 30 HG3 GLU 4 2HG GLU 4 -3.683 -3.816 -1.198 31 HE2 GLU 4 HE2 GLU 4 -3.328 -2.975 2.021 32 H GLN 5 H GLN 5 -2.168 -0.292 -4.486 33 HA GLN 5 HA GLN 5 -4.485 1.213 -5.104 34 HB2 GLN 5 1HB GLN 5 -1.650 1.390 -6.161 35 HB3 GLN 5 2HB GLN 5 -2.837 2.568 -6.589 36 HG2 GLN 5 1HG GLN 5 -3.181 3.020 -4.087 37 HG3 GLN 5 2HG GLN 5 -1.697 2.008 -3.818 38 HE21 GLN 5 2HE2 GLN 5 -2.607 5.067 -3.775 39 HE22 GLN 5 1HE2 GLN 5 -1.242 5.818 -4.550 40 H CYS 6 H CYS 6 -2.510 -0.910 -7.167 41 HA CYS 6 HA CYS 6 -3.976 -0.150 -9.502 42 HB2 CYS 6 1HB CYS 6 -1.514 -1.286 -9.170 43 HB3 CYS 6 2HB CYS 6 -2.517 -2.735 -9.428 44 H CYS 7 H CYS 7 -4.538 -2.376 -6.980 45 HA CYS 7 HA CYS 7 -6.403 -4.012 -8.583 46 HB2 CYS 7 1HB CYS 7 -5.040 -4.980 -6.750 47 HB3 CYS 7 2HB CYS 7 -5.843 -3.935 -5.630 48 H THR 8 H THR 8 -6.658 -1.658 -5.885 49 HA THR 8 HA THR 8 -9.522 -1.821 -5.943 50 HB THR 8 HB THR 8 -8.086 -1.315 -3.911 51 HG1 THR 8 HG1 THR 8 -10.436 -0.829 -4.143 52 HG21 THR 8 1HG2 THR 8 -8.078 1.532 -4.941 53 HG22 THR 8 2HG2 THR 8 -6.681 0.455 -4.981 54 HG23 THR 8 3HG2 THR 8 -7.386 0.896 -3.427 55 H SER 9 H SER 9 -7.150 0.420 -7.357 56 HA SER 9 HA SER 9 -9.440 1.723 -8.750 57 HB2 SER 9 1HB SER 9 -7.952 3.148 -7.264 58 HB3 SER 9 2HB SER 9 -6.662 2.850 -8.546 59 HG SER 9 HG SER 9 -7.860 4.745 -8.942 60 H ILE 10 H ILE 10 -8.378 2.740 -10.933 61 HA ILE 10 HA ILE 10 -7.511 0.295 -12.456 62 HB ILE 10 HB ILE 10 -8.923 2.924 -13.255 63 HG12 ILE 10 1HG1 ILE 10 -9.751 0.007 -13.546 64 HG13 ILE 10 2HG1 ILE 10 -10.257 1.047 -12.200 65 HG21 ILE 10 1HG2 ILE 10 -7.834 0.711 -15.046 66 HG22 ILE 10 2HG2 ILE 10 -8.990 1.941 -15.593 67 HG23 ILE 10 3HG2 ILE 10 -7.374 2.456 -15.062 68 HD11 ILE 10 3HD1 ILE 10 -11.386 2.552 -13.845 69 HD12 ILE 10 1HD1 ILE 10 -11.005 1.321 -15.105 70 HD13 ILE 10 2HD1 ILE 10 -12.059 0.896 -13.716 71 H CYS 11 H CYS 11 -5.473 0.235 -13.399 72 HA CYS 11 HA CYS 11 -3.954 2.777 -13.357 73 HB2 CYS 11 1HB CYS 11 -3.036 -0.072 -13.911 74 HB3 CYS 11 2HB CYS 11 -1.973 1.333 -13.828 75 H SER 12 H SER 12 -3.722 3.843 -15.243 76 HA SER 12 HA SER 12 -4.773 2.717 -17.740 77 HB2 SER 12 1HB SER 12 -3.101 5.056 -18.153 78 HB3 SER 12 2HB SER 12 -4.869 4.863 -18.358 79 HG SER 12 HG SER 12 -4.949 6.087 -16.657 80 H LEU 13 H LEU 13 -3.354 2.783 -19.781 81 HA LEU 13 HA LEU 13 -1.150 1.010 -19.606 82 HB2 LEU 13 1HB LEU 13 -2.115 3.043 -21.614 83 HB3 LEU 13 2HB LEU 13 -0.533 2.352 -21.842 84 HG LEU 13 HG LEU 13 -3.096 0.759 -21.657 85 HD11 LEU 13 1HD1 LEU 13 -2.858 2.354 -23.617 86 HD12 LEU 13 2HD1 LEU 13 -2.945 0.609 -24.079 87 HD13 LEU 13 3HD1 LEU 13 -1.372 1.475 -24.035 88 HD21 LEU 13 3HD2 LEU 13 -1.609 -1.057 -22.689 89 HD22 LEU 13 1HD2 LEU 13 -1.081 -0.634 -21.073 90 HD23 LEU 13 2HD2 LEU 13 -0.217 0.022 -22.443 91 H TYR 14 H TYR 14 -1.193 4.592 -19.755 92 HA TYR 14 HA TYR 14 1.636 4.861 -19.795 93 HB2 TYR 14 1HB TYR 14 -0.033 6.912 -18.422 94 HB3 TYR 14 2HB TYR 14 1.182 7.119 -19.679 95 HD1 TYR 14 HD2 TYR 14 0.422 6.036 -22.095 96 HD2 TYR 14 HD1 TYR 14 -2.250 7.123 -18.900 97 HE1 TYR 14 HE2 TYR 14 -1.481 6.234 -23.722 98 HE2 TYR 14 HE1 TYR 14 -4.119 7.287 -20.507 99 HH TYR 14 HH TYR 14 -4.785 7.055 -22.710 100 H GLN 15 H GLN 15 -0.574 4.557 -16.992 101 HA GLN 15 HA GLN 15 1.455 5.303 -15.095 102 HB2 GLN 15 1HB GLN 15 -1.002 3.593 -14.651 103 HB3 GLN 15 2HB GLN 15 -0.039 4.410 -13.408 104 HG2 GLN 15 1HG GLN 15 -0.676 6.648 -14.622 105 HG3 GLN 15 2HG GLN 15 -1.889 5.627 -15.434 106 HE21 GLN 15 2HE2 GLN 15 -1.832 7.890 -13.193 107 HE22 GLN 15 1HE2 GLN 15 -2.830 7.245 -11.938 108 H LEU 16 H LEU 16 0.273 2.307 -16.572 109 HA LEU 16 HA LEU 16 1.867 0.551 -14.976 110 HB2 LEU 16 1HB LEU 16 0.783 0.183 -17.773 111 HB3 LEU 16 2HB LEU 16 1.495 -1.071 -16.830 112 HG LEU 16 HG LEU 16 -0.952 0.363 -15.780 113 HD11 LEU 16 1HD1 LEU 16 -1.487 -0.621 -18.000 114 HD12 LEU 16 2HD1 LEU 16 -2.227 -1.591 -16.724 115 HD13 LEU 16 3HD1 LEU 16 -0.736 -2.183 -17.527 116 HD21 LEU 16 3HD2 LEU 16 0.328 -2.362 -15.199 117 HD22 LEU 16 1HD2 LEU 16 -1.187 -1.728 -14.478 118 HD23 LEU 16 2HD2 LEU 16 0.407 -0.870 -14.170 119 H GLU 17 H GLU 17 2.460 2.208 -18.086 120 HA GLU 17 HA GLU 17 5.034 1.095 -18.585 121 HB2 GLU 17 1HB GLU 17 3.669 3.659 -19.395 122 HB3 GLU 17 2HB GLU 17 5.319 3.272 -19.894 123 HG2 GLU 17 1HG GLU 17 4.569 1.225 -21.000 124 HG3 GLU 17 2HG GLU 17 2.892 1.620 -20.514 125 HE2 GLU 17 HE2 GLU 17 5.120 1.899 -22.723 126 H ASN 18 H ASN 18 4.008 3.856 -16.580 127 HA ASN 18 HA ASN 18 6.588 4.921 -16.124 128 HB2 ASN 18 1HB ASN 18 3.957 5.030 -14.730 129 HB3 ASN 18 2HB ASN 18 5.341 5.402 -13.727 130 HD21 ASN 18 2HD2 ASN 18 3.066 6.727 -15.702 131 HD22 ASN 18 1HD2 ASN 18 3.871 8.158 -16.190 132 H TYR 19 H TYR 19 5.286 1.834 -15.052 133 HA TYR 19 HA TYR 19 7.040 1.809 -12.685 134 HB2 TYR 19 1HB TYR 19 5.235 -0.383 -13.728 135 HB3 TYR 19 2HB TYR 19 5.954 -0.269 -12.126 136 HD1 TYR 19 HD2 TYR 19 5.232 2.814 -11.729 137 HD2 TYR 19 HD1 TYR 19 3.005 -0.646 -12.987 138 HE1 TYR 19 HE2 TYR 19 3.120 3.875 -10.903 139 HE2 TYR 19 HE1 TYR 19 0.981 0.383 -12.250 140 HH TYR 19 HH TYR 19 0.764 3.536 -10.586 141 H CYS 20 H CYS 20 7.429 1.412 -15.937 142 HA CYS 20 HA CYS 20 8.929 -1.170 -15.839 143 HB2 CYS 20 1HB CYS 20 8.804 0.874 -18.054 144 HB3 CYS 20 2HB CYS 20 9.359 -0.783 -18.182 145 H ASN 21 H ASN 21 11.136 -1.375 -16.322 146 HA ASN 21 HA ASN 21 12.854 0.833 -15.510 147 HB2 ASN 21 1HB ASN 21 13.303 -2.102 -16.380 148 HB3 ASN 21 2HB ASN 21 14.654 -0.984 -16.023 149 HD21 ASN 21 2HD2 ASN 21 12.621 -3.208 -14.560 150 HD22 ASN 21 1HD2 ASN 21 12.743 -2.619 -12.921 151 HXT ASN 21 H02 ASN 21 11.756 1.843 -17.161 152 H1 PHE 1 2H0 PHE 1 -4.667 -4.491 -25.902 153 H2 PHE 1 1H0 PHE 1 -6.140 -3.840 -26.209 154 HA PHE 1 HA PHE 1 -5.473 -4.289 -23.768 155 HB2 PHE 1 1HB PHE 1 -3.227 -3.067 -24.433 156 HB3 PHE 1 2HB PHE 1 -4.150 -1.568 -24.116 157 HD1 PHE 1 HD2 PHE 1 -2.702 -4.607 -22.716 158 HD2 PHE 1 HD1 PHE 1 -4.792 -0.969 -21.777 159 HE1 PHE 1 HE2 PHE 1 -2.079 -4.850 -20.323 160 HE2 PHE 1 HE1 PHE 1 -4.238 -1.275 -19.366 161 HZ PHE 1 HZ PHE 1 -2.864 -3.236 -18.672 162 H VAL 2 H VAL 2 -6.636 -3.320 -22.106 163 HA VAL 2 HA VAL 2 -8.252 -0.903 -22.694 164 HB VAL 2 HB VAL 2 -9.798 -2.745 -23.294 165 HG11 VAL 2 1HG1 VAL 2 -9.408 -3.845 -20.482 166 HG12 VAL 2 2HG1 VAL 2 -10.526 -4.418 -21.696 167 HG13 VAL 2 3HG1 VAL 2 -8.790 -4.596 -21.984 168 HG21 VAL 2 3HG2 VAL 2 -10.498 -1.567 -20.567 169 HG22 VAL 2 1HG2 VAL 2 -10.718 -0.742 -22.169 170 HG23 VAL 2 2HG2 VAL 2 -11.639 -2.220 -21.833 171 H ASN 3 H ASN 3 -8.479 0.316 -20.838 172 HA ASN 3 HA ASN 3 -6.497 -0.337 -18.728 173 HB2 ASN 3 1HB ASN 3 -7.445 1.753 -17.644 174 HB3 ASN 3 2HB ASN 3 -6.765 2.034 -19.213 175 HD21 ASN 3 2HD2 ASN 3 -9.493 2.403 -17.285 176 HD22 ASN 3 1HD2 ASN 3 -10.580 2.992 -18.492 177 H GLN 4 H GLN 4 -6.942 -1.163 -16.674 178 HA GLN 4 HA GLN 4 -9.779 -1.759 -15.918 179 HB2 GLN 4 1HB GLN 4 -9.307 -4.175 -15.972 180 HB3 GLN 4 2HB GLN 4 -9.042 -3.516 -17.567 181 HG2 GLN 4 1HG GLN 4 -6.612 -3.465 -17.159 182 HG3 GLN 4 2HG GLN 4 -6.909 -4.291 -15.595 183 HE21 GLN 4 2HE2 GLN 4 -7.486 -4.637 -19.107 184 HE22 GLN 4 1HE2 GLN 4 -7.445 -6.384 -19.107 185 H HIS 5 H HIS 5 -9.665 -3.231 -13.942 186 HA HIS 5 HA HIS 5 -7.725 -2.281 -11.952 187 HB2 HIS 5 1HB HIS 5 -9.943 -4.417 -11.908 188 HB3 HIS 5 2HB HIS 5 -8.965 -4.064 -10.483 189 HD1 HIS 5 HD1 HIS 5 -9.186 -1.393 -9.615 190 HD2 HIS 5 HD2 HIS 5 -12.143 -2.815 -12.188 191 HE1 HIS 5 HE1 HIS 5 -11.100 0.222 -9.498 192 HE2 HIS 5 HE2 HIS 5 -12.931 -0.646 -11.036 193 H LEU 6 H LEU 6 -5.900 -3.441 -11.230 194 HA LEU 6 HA LEU 6 -5.422 -6.170 -12.408 195 HB2 LEU 6 1HB LEU 6 -3.445 -3.901 -11.935 196 HB3 LEU 6 2HB LEU 6 -2.993 -5.566 -12.195 197 HG LEU 6 HG LEU 6 -2.469 -4.589 -14.159 198 HD11 LEU 6 1HD1 LEU 6 -3.912 -5.530 -15.871 199 HD12 LEU 6 2HD1 LEU 6 -5.311 -5.522 -14.750 200 HD13 LEU 6 3HD1 LEU 6 -3.952 -6.601 -14.460 201 HD21 LEU 6 3HD2 LEU 6 -3.794 -2.969 -15.453 202 HD22 LEU 6 1HD2 LEU 6 -3.523 -2.393 -13.779 203 HD23 LEU 6 2HD2 LEU 6 -5.096 -3.056 -14.223 204 H CYS 7 H CYS 7 -5.715 -7.543 -10.763 205 HA CYS 7 HA CYS 7 -4.441 -6.807 -8.146 206 HB2 CYS 7 1HB CYS 7 -6.693 -8.770 -8.607 207 HB3 CYS 7 2HB CYS 7 -6.068 -8.147 -7.063 208 H GLY 8 H GLY 8 -3.282 -8.524 -7.114 209 HA2 GLY 8 1HA GLY 8 -2.000 -10.416 -7.048 210 HA3 GLY 8 2HA GLY 8 -3.382 -11.200 -7.801 211 H SER 9 H SER 9 -2.502 -12.623 -9.238 212 HA SER 9 HA SER 9 -0.175 -12.286 -10.670 213 HB2 SER 9 1HB SER 9 -2.588 -13.761 -11.686 214 HB3 SER 9 2HB SER 9 -0.876 -14.148 -12.006 215 HG SER 9 HG SER 9 -0.749 -15.035 -10.000 216 H HIS 10 H HIS 10 -3.237 -10.741 -11.350 217 HA HIS 10 HA HIS 10 -3.008 -10.572 -14.230 218 HB2 HIS 10 1HB HIS 10 -4.835 -9.803 -12.211 219 HB3 HIS 10 2HB HIS 10 -4.441 -8.319 -13.065 220 HD1 HIS 10 HD1 HIS 10 -5.717 -7.874 -15.206 221 HD2 HIS 10 HD2 HIS 10 -5.831 -11.898 -14.059 222 HE1 HIS 10 HE1 HIS 10 -7.285 -9.028 -16.758 223 HE2 HIS 10 HE2 HIS 10 -7.340 -11.484 -16.086 224 H LEU 11 H LEU 11 -1.771 -8.725 -11.504 225 HA LEU 11 HA LEU 11 -1.092 -6.389 -13.041 226 HB2 LEU 11 1HB LEU 11 -1.449 -6.403 -10.611 227 HB3 LEU 11 2HB LEU 11 0.009 -7.406 -10.375 228 HG LEU 11 HG LEU 11 1.440 -5.538 -11.103 229 HD11 LEU 11 1HD1 LEU 11 -1.137 -3.961 -11.426 230 HD12 LEU 11 2HD1 LEU 11 -0.029 -4.422 -12.711 231 HD13 LEU 11 3HD1 LEU 11 0.511 -3.283 -11.442 232 HD21 LEU 11 3HD2 LEU 11 1.011 -4.095 -9.199 233 HD22 LEU 11 1HD2 LEU 11 0.811 -5.820 -8.794 234 HD23 LEU 11 2HD2 LEU 11 -0.644 -4.807 -9.054 235 H VAL 12 H VAL 12 0.893 -9.153 -11.728 236 HA VAL 12 HA VAL 12 3.232 -8.267 -12.962 237 HB VAL 12 HB VAL 12 3.496 -9.804 -11.233 238 HG11 VAL 12 1HG1 VAL 12 1.288 -10.822 -11.167 239 HG12 VAL 12 2HG1 VAL 12 1.611 -11.705 -12.671 240 HG13 VAL 12 3HG1 VAL 12 2.553 -12.110 -11.221 241 HG21 VAL 12 3HG2 VAL 12 4.741 -11.636 -12.045 242 HG22 VAL 12 1HG2 VAL 12 3.959 -11.526 -13.665 243 HG23 VAL 12 2HG2 VAL 12 5.052 -10.235 -13.090 244 H GLU 13 H GLU 13 0.621 -10.327 -14.320 245 HA GLU 13 HA GLU 13 1.957 -10.803 -16.784 246 HB2 GLU 13 1HB GLU 13 -0.886 -10.755 -15.875 247 HB3 GLU 13 2HB GLU 13 -0.584 -10.677 -17.588 248 HG2 GLU 13 1HG GLU 13 0.402 -12.888 -15.718 249 HG3 GLU 13 2HG GLU 13 -0.952 -12.987 -16.829 250 HE2 GLU 13 HE2 GLU 13 1.824 -13.953 -16.503 251 H ALA 14 H ALA 14 -0.256 -8.082 -15.828 252 HA ALA 14 HA ALA 14 -0.335 -6.884 -18.340 253 HB1 ALA 14 3HB ALA 14 -1.846 -6.297 -16.541 254 HB2 ALA 14 1HB ALA 14 -0.498 -5.652 -15.550 255 HB3 ALA 14 2HB ALA 14 -0.970 -4.801 -17.060 256 H LEU 15 H LEU 15 1.973 -6.464 -15.647 257 HA LEU 15 HA LEU 15 3.394 -4.314 -16.906 258 HB2 LEU 15 1HB LEU 15 4.164 -6.234 -14.684 259 HB3 LEU 15 2HB LEU 15 5.096 -4.857 -15.121 260 HG LEU 15 HG LEU 15 2.249 -4.717 -14.145 261 HD11 LEU 15 1HD1 LEU 15 3.852 -5.449 -12.424 262 HD12 LEU 15 2HD1 LEU 15 3.224 -3.829 -12.097 263 HD13 LEU 15 3HD1 LEU 15 4.864 -4.024 -12.764 264 HD21 LEU 15 3HD2 LEU 15 2.804 -2.838 -15.607 265 HD22 LEU 15 1HD2 LEU 15 4.260 -2.514 -14.652 266 HD23 LEU 15 2HD2 LEU 15 2.642 -2.341 -13.917 267 H TYR 16 H TYR 16 3.877 -7.827 -16.869 268 HA TYR 16 HA TYR 16 6.369 -7.836 -18.259 269 HB2 TYR 16 1HB TYR 16 5.782 -9.898 -17.331 270 HB3 TYR 16 2HB TYR 16 4.121 -9.753 -17.914 271 HD1 TYR 16 HD1 TYR 16 7.635 -10.356 -18.984 272 HD2 TYR 16 HD2 TYR 16 3.464 -10.737 -20.035 273 HE1 TYR 16 HE1 TYR 16 8.259 -11.796 -20.948 274 HE2 TYR 16 HE2 TYR 16 4.036 -12.152 -21.909 275 HH TYR 16 HH TYR 16 5.768 -13.307 -23.049 276 H LEU 17 H LEU 17 2.953 -7.796 -19.339 277 HA LEU 17 HA LEU 17 3.618 -7.996 -22.107 278 HB2 LEU 17 1HB LEU 17 1.091 -7.034 -20.703 279 HB3 LEU 17 2HB LEU 17 1.209 -7.200 -22.407 280 HG LEU 17 HG LEU 17 1.542 -9.489 -20.545 281 HD11 LEU 17 1HD1 LEU 17 -0.693 -10.185 -21.220 282 HD12 LEU 17 2HD1 LEU 17 -0.852 -8.736 -22.232 283 HD13 LEU 17 3HD1 LEU 17 -0.718 -8.545 -20.472 284 HD21 LEU 17 3HD2 LEU 17 2.729 -9.882 -22.642 285 HD22 LEU 17 1HD2 LEU 17 1.272 -9.481 -23.575 286 HD23 LEU 17 2HD2 LEU 17 1.281 -10.935 -22.552 287 H VAL 18 H VAL 18 3.109 -5.156 -19.927 288 HA VAL 18 HA VAL 18 3.188 -3.414 -22.262 289 HB VAL 18 HB VAL 18 1.823 -3.082 -20.068 290 HG11 VAL 18 1HG1 VAL 18 3.868 -3.090 -18.568 291 HG12 VAL 18 2HG1 VAL 18 4.357 -1.551 -19.316 292 HG13 VAL 18 3HG1 VAL 18 2.809 -1.643 -18.410 293 HG21 VAL 18 3HG2 VAL 18 1.624 -1.595 -21.881 294 HG22 VAL 18 1HG2 VAL 18 1.770 -0.700 -20.387 295 HG23 VAL 18 2HG2 VAL 18 3.183 -0.829 -21.479 296 H CYS 19 H CYS 19 5.526 -4.460 -19.856 297 HA CYS 19 HA CYS 19 7.429 -2.354 -20.657 298 HB2 CYS 19 1HB CYS 19 7.677 -4.630 -18.695 299 HB3 CYS 19 2HB CYS 19 8.810 -3.261 -18.796 300 H GLY 20 H GLY 20 6.988 -5.867 -20.957 301 HA2 GLY 20 1HA GLY 20 8.113 -7.430 -22.164 302 HA3 GLY 20 2HA GLY 20 8.868 -6.109 -23.106 303 H GLU 21 H GLU 21 11.033 -6.411 -23.035 304 HA GLU 21 HA GLU 21 12.430 -7.752 -20.922 305 HB2 GLU 21 1HB GLU 21 13.444 -5.772 -23.027 306 HB3 GLU 21 2HB GLU 21 14.482 -6.722 -21.974 307 HG2 GLU 21 1HG GLU 21 13.649 -8.740 -22.972 308 HG3 GLU 21 2HG GLU 21 12.542 -7.851 -24.004 309 HE2 GLU 21 HE2 GLU 21 15.843 -8.192 -23.219 310 H ARG 22 H ARG 22 11.267 -4.445 -21.106 311 HA ARG 22 HA ARG 22 13.157 -3.538 -18.989 312 HB2 ARG 22 1HB ARG 22 10.912 -2.171 -20.539 313 HB3 ARG 22 2HB ARG 22 11.809 -1.411 -19.209 314 HG2 ARG 22 1HG ARG 22 13.491 -0.867 -20.598 315 HG3 ARG 22 2HG ARG 22 13.680 -2.571 -21.048 316 HD2 ARG 22 1HD ARG 22 11.346 -1.116 -22.250 317 HD3 ARG 22 2HD ARG 22 12.946 -0.478 -22.741 318 HE ARG 22 HE ARG 22 11.729 -3.033 -23.518 319 HH11 ARG 22 1HH1 ARG 22 14.788 -1.240 -23.438 320 HH12 ARG 22 2HH1 ARG 22 15.529 -2.274 -24.619 321 HH21 ARG 22 1HH2 ARG 22 12.728 -4.288 -24.981 322 HH22 ARG 22 2HH2 ARG 22 14.378 -3.956 -25.431 323 H GLY 23 H GLY 23 11.211 -5.794 -18.656 324 HA2 GLY 23 1HA GLY 23 8.983 -5.098 -17.242 325 HA3 GLY 23 2HA GLY 23 9.846 -6.621 -17.048 326 H PHE 24 H PHE 24 8.389 -5.176 -15.108 327 HA PHE 24 HA PHE 24 10.045 -3.632 -13.415 328 HB2 PHE 24 1HB PHE 24 8.204 -3.616 -11.923 329 HB3 PHE 24 2HB PHE 24 7.472 -3.810 -13.524 330 HD1 PHE 24 HD2 PHE 24 6.915 -6.232 -14.316 331 HD2 PHE 24 HD1 PHE 24 7.804 -5.189 -10.225 332 HE1 PHE 24 HE2 PHE 24 5.721 -8.234 -13.596 333 HE2 PHE 24 HE1 PHE 24 6.569 -7.231 -9.447 334 HZ PHE 24 HZ PHE 24 5.546 -8.771 -11.141 335 H PHE 25 H PHE 25 10.369 -4.228 -11.059 336 HA PHE 25 HA PHE 25 11.676 -6.946 -11.029 337 HB2 PHE 25 1HB PHE 25 13.188 -4.939 -11.019 338 HB3 PHE 25 2HB PHE 25 12.461 -4.436 -9.466 339 HD1 PHE 25 HD2 PHE 25 12.863 -5.889 -7.407 340 HD2 PHE 25 HD1 PHE 25 14.781 -6.734 -11.150 341 HE1 PHE 25 HE2 PHE 25 14.530 -7.395 -6.229 342 HE2 PHE 25 HE1 PHE 25 16.410 -8.225 -10.032 343 HZ PHE 25 HZ PHE 25 16.303 -8.530 -7.560 344 H NVA 26 H ARX 26 10.698 -8.289 -9.869 345 HA NVA 26 HA ARX 26 9.552 -7.519 -7.235 346 HB2 NVA 26 1HB ARX 26 7.906 -8.784 -8.824 347 HB3 NVA 26 2HB ARX 26 9.004 -10.166 -8.742 348 HG2 NVA 26 1HG ARX 26 8.641 -10.102 -6.180 349 HG3 NVA 26 2HG ARX 26 7.398 -8.890 -6.445 350 HD2 NVA 26 1HD ARX 26 5.841 -10.479 -6.973 351 HD3 NVA 26 2HD ARX 26 6.926 -11.129 -8.221 352 H THR 27 H THR 27 10.684 -8.010 -5.572 353 HA THR 27 HA THR 27 13.276 -9.253 -5.573 354 HB THR 27 HB THR 27 12.884 -9.197 -3.026 355 HG1 THR 27 HG1 THR 27 10.981 -8.611 -2.336 356 HG21 THR 27 1HG2 THR 27 12.267 -6.570 -4.538 357 HG22 THR 27 2HG2 THR 27 13.887 -7.214 -4.069 358 HG23 THR 27 3HG2 THR 27 12.676 -6.717 -2.832 359 HA PRO 28 HA PRO 28 11.700 -13.275 -5.729 360 HB2 PRO 28 1HB PRO 28 13.561 -14.293 -3.630 361 HB3 PRO 28 2HB PRO 28 13.308 -14.858 -5.290 362 HG2 PRO 28 1HG PRO 28 15.483 -13.468 -4.681 363 HG3 PRO 28 2HG PRO 28 14.586 -13.146 -6.208 364 HD2 PRO 28 1HD PRO 28 14.500 -11.597 -3.584 365 HD3 PRO 28 2HD PRO 28 14.715 -10.956 -5.213 366 H HIX 29 H HIX 29 9.793 -13.819 -4.993 367 HA HIX 29 HA HIX 29 8.712 -13.204 -2.440 368 HB1 HIX 29 1HB HIX 29 7.690 -15.611 -4.003 369 HB2 HIX 29 2HB HIX 29 6.792 -14.409 -3.040 370 HD2 HIX 29 HD2 HIX 29 7.390 -11.584 -4.357 371 HD1 HIX 29 HD1 HIX 29 7.193 -15.193 -6.581 372 H THR 30 H THR 30 9.726 -13.638 -0.756 373 HA THR 30 HA THR 30 10.506 -14.626 1.162 374 HB THR 30 HB THR 30 9.170 -17.225 0.423 375 HG1 THR 30 HG1 THR 30 7.748 -15.125 1.630 376 HG21 THR 30 1HG2 THR 30 9.332 -15.638 3.072 377 HG22 THR 30 2HG2 THR 30 10.368 -17.076 2.704 378 HG23 THR 30 3HG2 THR 30 8.575 -17.229 2.866 379 HXT THR 30 H02 THR 30 10.789 -16.906 -1.306 Start of MODEL 22 1 H1 GLY 1 2H0 GLY 1 0.767 0.977 -0.767 2 H2 GLY 1 1H0 GLY 1 0.149 -0.462 -0.167 3 HA2 GLY 1 1HA GLY 1 2.531 -0.321 -1.973 4 HA3 GLY 1 2HA GLY 1 1.485 -1.745 -1.679 5 H ILE 2 H ILE 2 2.444 -0.745 -4.127 6 HA ILE 2 HA ILE 2 0.410 0.826 -5.441 7 HB ILE 2 HB ILE 2 2.891 0.601 -6.045 8 HG12 ILE 2 1HG1 ILE 2 2.363 0.832 -8.546 9 HG13 ILE 2 2HG1 ILE 2 0.653 0.543 -8.075 10 HG21 ILE 2 1HG2 ILE 2 1.905 -1.879 -7.536 11 HG22 ILE 2 2HG2 ILE 2 3.505 -1.087 -7.709 12 HG23 ILE 2 3HG2 ILE 2 3.048 -1.828 -6.147 13 HD11 ILE 2 3HD1 ILE 2 2.429 2.871 -7.182 14 HD12 ILE 2 1HD1 ILE 2 1.027 2.929 -8.254 15 HD13 ILE 2 2HD1 ILE 2 0.784 2.556 -6.543 16 H VAL 3 H VAL 3 0.690 -2.529 -4.653 17 HA VAL 3 HA VAL 3 -0.885 -3.546 -6.894 18 HB VAL 3 HB VAL 3 -0.222 -4.665 -4.090 19 HG11 VAL 3 1HG1 VAL 3 -2.260 -5.728 -4.653 20 HG12 VAL 3 2HG1 VAL 3 -1.722 -5.984 -6.365 21 HG13 VAL 3 3HG1 VAL 3 -0.936 -6.871 -5.018 22 HG21 VAL 3 3HG2 VAL 3 1.762 -4.580 -5.425 23 HG22 VAL 3 1HG2 VAL 3 1.210 -6.266 -5.494 24 HG23 VAL 3 2HG2 VAL 3 0.922 -5.165 -6.870 25 H GLU 4 H GLU 4 -1.655 -2.717 -3.466 26 HA GLU 4 HA GLU 4 -4.434 -3.264 -3.975 27 HB2 GLU 4 1HB GLU 4 -4.937 -2.231 -1.865 28 HB3 GLU 4 2HB GLU 4 -3.562 -3.301 -1.728 29 HG2 GLU 4 1HG GLU 4 -2.909 -0.478 -2.132 30 HG3 GLU 4 2HG GLU 4 -3.757 -0.827 -0.649 31 HE2 GLU 4 HE2 GLU 4 -2.372 -0.835 0.764 32 H GLN 5 H GLN 5 -2.429 -0.285 -4.511 33 HA GLN 5 HA GLN 5 -4.711 1.367 -5.000 34 HB2 GLN 5 1HB GLN 5 -1.902 1.365 -6.150 35 HB3 GLN 5 2HB GLN 5 -3.074 2.588 -6.533 36 HG2 GLN 5 1HG GLN 5 -2.167 1.991 -3.687 37 HG3 GLN 5 2HG GLN 5 -1.460 3.232 -4.723 38 HE21 GLN 5 2HE2 GLN 5 -3.648 4.395 -5.925 39 HE22 GLN 5 1HE2 GLN 5 -4.671 5.148 -4.750 40 H CYS 6 H CYS 6 -2.868 -0.860 -7.202 41 HA CYS 6 HA CYS 6 -4.534 -0.182 -9.482 42 HB2 CYS 6 1HB CYS 6 -2.143 -1.261 -9.112 43 HB3 CYS 6 2HB CYS 6 -3.039 -2.800 -9.238 44 H CYS 7 H CYS 7 -5.061 -2.302 -6.743 45 HA CYS 7 HA CYS 7 -7.005 -3.939 -8.233 46 HB2 CYS 7 1HB CYS 7 -5.526 -4.694 -6.253 47 HB3 CYS 7 2HB CYS 7 -6.588 -3.729 -5.242 48 H THR 8 H THR 8 -7.018 -1.270 -5.796 49 HA THR 8 HA THR 8 -9.985 -1.316 -5.824 50 HB THR 8 HB THR 8 -8.437 -0.861 -3.794 51 HG1 THR 8 HG1 THR 8 -10.752 -0.281 -3.989 52 HG21 THR 8 1HG2 THR 8 -8.268 1.905 -5.072 53 HG22 THR 8 2HG2 THR 8 -6.908 0.784 -4.785 54 HG23 THR 8 3HG2 THR 8 -7.802 1.497 -3.391 55 H SER 9 H SER 9 -7.513 0.345 -7.630 56 HA SER 9 HA SER 9 -9.625 2.042 -8.885 57 HB2 SER 9 1HB SER 9 -8.125 3.862 -9.181 58 HB3 SER 9 2HB SER 9 -8.051 3.388 -7.466 59 HG SER 9 HG SER 9 -6.124 2.155 -8.083 60 H ILE 10 H ILE 10 -8.743 2.770 -11.231 61 HA ILE 10 HA ILE 10 -7.675 0.283 -12.460 62 HB ILE 10 HB ILE 10 -9.181 2.606 -13.732 63 HG12 ILE 10 1HG1 ILE 10 -9.980 -0.318 -13.363 64 HG13 ILE 10 2HG1 ILE 10 -10.495 0.985 -12.315 65 HG21 ILE 10 1HG2 ILE 10 -9.149 1.252 -15.814 66 HG22 ILE 10 2HG2 ILE 10 -7.573 1.777 -15.352 67 HG23 ILE 10 3HG2 ILE 10 -8.048 0.110 -15.059 68 HD11 ILE 10 3HD1 ILE 10 -11.742 2.112 -14.126 69 HD12 ILE 10 1HD1 ILE 10 -11.179 0.848 -15.274 70 HD13 ILE 10 2HD1 ILE 10 -12.271 0.424 -13.951 71 H CYS 11 H CYS 11 -5.662 0.252 -13.245 72 HA CYS 11 HA CYS 11 -3.930 2.612 -13.207 73 HB2 CYS 11 1HB CYS 11 -3.523 -0.387 -13.812 74 HB3 CYS 11 2HB CYS 11 -2.240 0.823 -13.974 75 H SER 12 H SER 12 -3.589 3.798 -14.947 76 HA SER 12 HA SER 12 -4.579 2.850 -17.629 77 HB2 SER 12 1HB SER 12 -2.792 5.225 -17.557 78 HB3 SER 12 2HB SER 12 -4.423 5.030 -18.186 79 HG SER 12 HG SER 12 -4.706 6.340 -16.474 80 H LEU 13 H LEU 13 -3.248 2.934 -19.565 81 HA LEU 13 HA LEU 13 -1.014 1.191 -19.424 82 HB2 LEU 13 1HB LEU 13 -2.003 3.194 -21.447 83 HB3 LEU 13 2HB LEU 13 -0.474 2.322 -21.713 84 HG LEU 13 HG LEU 13 -2.997 0.805 -21.087 85 HD11 LEU 13 1HD1 LEU 13 -3.178 2.227 -23.195 86 HD12 LEU 13 2HD1 LEU 13 -3.430 0.492 -23.368 87 HD13 LEU 13 3HD1 LEU 13 -1.890 1.193 -23.876 88 HD21 LEU 13 3HD2 LEU 13 -1.671 -1.094 -22.052 89 HD22 LEU 13 1HD2 LEU 13 -0.766 -0.352 -20.731 90 HD23 LEU 13 2HD2 LEU 13 -0.333 0.021 -22.437 91 H TYR 14 H TYR 14 -0.927 4.736 -19.510 92 HA TYR 14 HA TYR 14 1.896 4.989 -19.720 93 HB2 TYR 14 1HB TYR 14 0.346 6.933 -18.172 94 HB3 TYR 14 2HB TYR 14 1.440 7.210 -19.554 95 HD1 TYR 14 HD2 TYR 14 0.474 6.312 -21.880 96 HD2 TYR 14 HD1 TYR 14 -1.952 7.121 -18.407 97 HE1 TYR 14 HE2 TYR 14 -1.559 6.497 -23.354 98 HE2 TYR 14 HE1 TYR 14 -4.011 7.248 -19.948 99 HH TYR 14 HH TYR 14 -3.972 6.807 -23.407 100 H GLN 15 H GLN 15 -0.327 4.559 -16.962 101 HA GLN 15 HA GLN 15 1.692 5.185 -14.945 102 HB2 GLN 15 1HB GLN 15 -0.789 3.466 -14.628 103 HB3 GLN 15 2HB GLN 15 0.122 4.276 -13.352 104 HG2 GLN 15 1HG GLN 15 -0.551 6.495 -14.399 105 HG3 GLN 15 2HG GLN 15 -1.661 5.643 -15.451 106 HE21 GLN 15 2HE2 GLN 15 -1.228 7.174 -12.458 107 HE22 GLN 15 1HE2 GLN 15 -2.688 6.597 -11.659 108 H LEU 16 H LEU 16 0.491 2.193 -16.492 109 HA LEU 16 HA LEU 16 2.110 0.463 -14.841 110 HB2 LEU 16 1HB LEU 16 0.958 0.076 -17.616 111 HB3 LEU 16 2HB LEU 16 1.686 -1.203 -16.697 112 HG LEU 16 HG LEU 16 -0.809 0.298 -15.849 113 HD11 LEU 16 1HD1 LEU 16 -0.429 -2.315 -17.344 114 HD12 LEU 16 2HD1 LEU 16 -1.110 -0.827 -17.978 115 HD13 LEU 16 3HD1 LEU 16 -1.971 -1.719 -16.730 116 HD21 LEU 16 3HD2 LEU 16 0.348 -2.364 -14.877 117 HD22 LEU 16 1HD2 LEU 16 -1.158 -1.559 -14.286 118 HD23 LEU 16 2HD2 LEU 16 0.439 -0.834 -14.001 119 H GLU 17 H GLU 17 2.713 2.216 -17.857 120 HA GLU 17 HA GLU 17 5.311 1.127 -18.376 121 HB2 GLU 17 1HB GLU 17 3.979 3.768 -19.101 122 HB3 GLU 17 2HB GLU 17 5.622 3.393 -19.571 123 HG2 GLU 17 1HG GLU 17 3.415 1.477 -20.160 124 HG3 GLU 17 2HG GLU 17 3.582 2.931 -21.152 125 HE2 GLU 17 HE2 GLU 17 6.234 0.021 -21.480 126 H ASN 18 H ASN 18 4.248 3.825 -16.247 127 HA ASN 18 HA ASN 18 6.945 4.600 -15.527 128 HB2 ASN 18 1HB ASN 18 4.262 4.942 -14.130 129 HB3 ASN 18 2HB ASN 18 5.779 5.609 -13.548 130 HD21 ASN 18 2HD2 ASN 18 3.373 6.893 -14.348 131 HD22 ASN 18 1HD2 ASN 18 3.780 7.986 -15.652 132 H TYR 19 H TYR 19 5.113 1.723 -14.606 133 HA TYR 19 HA TYR 19 6.576 1.583 -11.997 134 HB2 TYR 19 1HB TYR 19 4.923 -0.476 -13.523 135 HB3 TYR 19 2HB TYR 19 5.535 -0.644 -11.864 136 HD1 TYR 19 HD2 TYR 19 4.666 2.618 -11.528 137 HD2 TYR 19 HD1 TYR 19 2.726 -1.107 -12.567 138 HE1 TYR 19 HE2 TYR 19 2.526 3.542 -10.828 139 HE2 TYR 19 HE1 TYR 19 0.571 -0.151 -11.848 140 HH TYR 19 HH TYR 19 0.219 3.180 -10.608 141 H CYS 20 H CYS 20 7.190 0.724 -15.340 142 HA CYS 20 HA CYS 20 9.420 -1.096 -14.396 143 HB2 CYS 20 1HB CYS 20 9.138 -2.321 -16.358 144 HB3 CYS 20 2HB CYS 20 7.489 -2.045 -15.837 145 H ASN 21 H ASN 21 10.902 -1.194 -16.642 146 HA ASN 21 HA ASN 21 11.795 1.736 -17.008 147 HB2 ASN 21 1HB ASN 21 13.400 0.102 -15.652 148 HB3 ASN 21 2HB ASN 21 13.572 -0.825 -17.142 149 HD21 ASN 21 2HD2 ASN 21 14.195 0.501 -19.182 150 HD22 ASN 21 1HD2 ASN 21 15.352 1.720 -18.916 151 HXT ASN 21 H02 ASN 21 11.035 1.287 -20.225 152 H1 PHE 1 2H0 PHE 1 -6.647 -3.199 -26.370 153 H2 PHE 1 1H0 PHE 1 -5.937 -1.714 -26.161 154 HA PHE 1 HA PHE 1 -5.690 -4.013 -24.272 155 HB2 PHE 1 1HB PHE 1 -3.775 -2.366 -24.637 156 HB3 PHE 1 2HB PHE 1 -4.845 -1.116 -23.992 157 HD1 PHE 1 HD2 PHE 1 -5.448 -1.028 -21.673 158 HD2 PHE 1 HD1 PHE 1 -2.767 -4.063 -23.172 159 HE1 PHE 1 HE2 PHE 1 -4.602 -1.382 -19.389 160 HE2 PHE 1 HE1 PHE 1 -2.036 -4.504 -20.819 161 HZ PHE 1 HZ PHE 1 -2.928 -3.152 -18.912 162 H VAL 2 H VAL 2 -6.787 -3.957 -22.367 163 HA VAL 2 HA VAL 2 -9.058 -1.930 -22.306 164 HB VAL 2 HB VAL 2 -9.056 -4.713 -21.058 165 HG11 VAL 2 1HG1 VAL 2 -11.280 -2.680 -21.558 166 HG12 VAL 2 2HG1 VAL 2 -11.538 -4.329 -20.935 167 HG13 VAL 2 3HG1 VAL 2 -10.627 -3.132 -19.964 168 HG21 VAL 2 3HG2 VAL 2 -10.718 -5.313 -22.915 169 HG22 VAL 2 1HG2 VAL 2 -10.245 -3.804 -23.717 170 HG23 VAL 2 2HG2 VAL 2 -9.038 -5.087 -23.468 171 H ASN 3 H ASN 3 -8.853 -0.485 -20.791 172 HA ASN 3 HA ASN 3 -6.909 -0.907 -18.612 173 HB2 ASN 3 1HB ASN 3 -7.779 1.305 -17.800 174 HB3 ASN 3 2HB ASN 3 -7.381 1.382 -19.488 175 HD21 ASN 3 2HD2 ASN 3 -9.568 2.513 -17.365 176 HD22 ASN 3 1HD2 ASN 3 -10.956 2.623 -18.407 177 H GLN 4 H GLN 4 -7.349 -2.300 -16.969 178 HA GLN 4 HA GLN 4 -10.103 -2.307 -15.788 179 HB2 GLN 4 1HB GLN 4 -8.346 -4.682 -16.360 180 HB3 GLN 4 2HB GLN 4 -9.760 -4.748 -15.308 181 HG2 GLN 4 1HG GLN 4 -10.886 -3.655 -17.457 182 HG3 GLN 4 2HG GLN 4 -9.540 -4.536 -18.243 183 HE21 GLN 4 2HE2 GLN 4 -10.298 -6.558 -18.855 184 HE22 GLN 4 1HE2 GLN 4 -11.400 -7.547 -17.939 185 H HIS 5 H HIS 5 -10.059 -3.492 -13.479 186 HA HIS 5 HA HIS 5 -7.906 -2.242 -11.882 187 HB2 HIS 5 1HB HIS 5 -9.972 -4.397 -11.087 188 HB3 HIS 5 2HB HIS 5 -8.862 -3.547 -10.034 189 HD1 HIS 5 HD1 HIS 5 -9.297 -0.912 -9.656 190 HD2 HIS 5 HD2 HIS 5 -12.327 -2.960 -11.700 191 HE1 HIS 5 HE1 HIS 5 -11.339 0.577 -9.617 192 HE2 HIS 5 HE2 HIS 5 -13.193 -0.676 -10.829 193 H LEU 6 H LEU 6 -6.147 -3.487 -10.923 194 HA LEU 6 HA LEU 6 -5.883 -6.239 -12.134 195 HB2 LEU 6 1HB LEU 6 -3.682 -4.158 -11.811 196 HB3 LEU 6 2HB LEU 6 -3.412 -5.838 -12.329 197 HG LEU 6 HG LEU 6 -5.055 -3.701 -13.798 198 HD11 LEU 6 1HD1 LEU 6 -2.302 -4.840 -14.326 199 HD12 LEU 6 2HD1 LEU 6 -2.737 -3.172 -13.859 200 HD13 LEU 6 3HD1 LEU 6 -3.245 -3.772 -15.437 201 HD21 LEU 6 3HD2 LEU 6 -5.777 -6.070 -14.184 202 HD22 LEU 6 1HD2 LEU 6 -4.145 -6.436 -14.816 203 HD23 LEU 6 2HD2 LEU 6 -5.199 -5.274 -15.629 204 H CYS 7 H CYS 7 -5.793 -7.643 -10.461 205 HA CYS 7 HA CYS 7 -4.559 -6.762 -7.910 206 HB2 CYS 7 1HB CYS 7 -6.806 -8.790 -8.197 207 HB3 CYS 7 2HB CYS 7 -6.143 -8.132 -6.713 208 H GLY 8 H GLY 8 -3.478 -8.435 -6.727 209 HA2 GLY 8 1HA GLY 8 -2.153 -10.279 -6.539 210 HA3 GLY 8 2HA GLY 8 -3.343 -11.160 -7.518 211 H SER 9 H SER 9 -2.051 -12.334 -8.791 212 HA SER 9 HA SER 9 0.195 -11.574 -10.243 213 HB2 SER 9 1HB SER 9 -1.946 -13.558 -10.986 214 HB3 SER 9 2HB SER 9 -0.212 -13.684 -11.420 215 HG SER 9 HG SER 9 -0.646 -14.974 -9.662 216 H HIS 10 H HIS 10 -2.980 -10.360 -10.842 217 HA HIS 10 HA HIS 10 -2.713 -10.397 -13.775 218 HB2 HIS 10 1HB HIS 10 -4.522 -9.068 -11.859 219 HB3 HIS 10 2HB HIS 10 -4.133 -8.113 -13.258 220 HD1 HIS 10 HD1 HIS 10 -6.308 -8.314 -14.622 221 HD2 HIS 10 HD2 HIS 10 -4.935 -12.019 -13.289 222 HE1 HIS 10 HE1 HIS 10 -7.780 -10.106 -15.746 223 HE2 HIS 10 HE2 HIS 10 -6.832 -12.306 -14.919 224 H LEU 11 H LEU 11 -1.244 -8.447 -11.197 225 HA LEU 11 HA LEU 11 -0.695 -6.202 -12.929 226 HB2 LEU 11 1HB LEU 11 0.182 -7.178 -10.249 227 HB3 LEU 11 2HB LEU 11 1.228 -6.060 -11.090 228 HG LEU 11 HG LEU 11 -1.132 -4.724 -11.243 229 HD11 LEU 11 1HD1 LEU 11 -2.294 -6.216 -9.727 230 HD12 LEU 11 2HD1 LEU 11 -2.050 -4.596 -9.020 231 HD13 LEU 11 3HD1 LEU 11 -1.052 -5.948 -8.491 232 HD21 LEU 11 3HD2 LEU 11 1.113 -3.831 -10.778 233 HD22 LEU 11 1HD2 LEU 11 1.187 -4.658 -9.197 234 HD23 LEU 11 2HD2 LEU 11 0.027 -3.326 -9.434 235 H VAL 12 H VAL 12 1.307 -8.941 -11.786 236 HA VAL 12 HA VAL 12 3.645 -8.178 -13.202 237 HB VAL 12 HB VAL 12 3.889 -9.838 -11.498 238 HG11 VAL 12 1HG1 VAL 12 1.663 -10.874 -11.487 239 HG12 VAL 12 2HG1 VAL 12 2.000 -11.647 -13.030 240 HG13 VAL 12 3HG1 VAL 12 2.964 -12.094 -11.590 241 HG21 VAL 12 3HG2 VAL 12 5.097 -11.657 -12.620 242 HG22 VAL 12 1HG2 VAL 12 4.193 -11.348 -14.129 243 HG23 VAL 12 2HG2 VAL 12 5.365 -10.169 -13.548 244 H GLU 13 H GLU 13 0.766 -10.165 -14.172 245 HA GLU 13 HA GLU 13 1.926 -10.828 -16.738 246 HB2 GLU 13 1HB GLU 13 -0.838 -10.576 -15.634 247 HB3 GLU 13 2HB GLU 13 -0.687 -10.703 -17.376 248 HG2 GLU 13 1HG GLU 13 0.518 -12.874 -17.096 249 HG3 GLU 13 2HG GLU 13 0.309 -12.767 -15.351 250 HE2 GLU 13 HE2 GLU 13 -0.705 -14.045 -17.954 251 H ALA 14 H ALA 14 -0.154 -8.013 -15.869 252 HA ALA 14 HA ALA 14 -0.295 -6.944 -18.455 253 HB1 ALA 14 3HB ALA 14 -0.256 -5.307 -15.920 254 HB2 ALA 14 1HB ALA 14 -1.201 -5.038 -17.408 255 HB3 ALA 14 2HB ALA 14 -1.599 -6.368 -16.286 256 H LEU 15 H LEU 15 2.005 -6.483 -15.816 257 HA LEU 15 HA LEU 15 3.455 -4.329 -17.090 258 HB2 LEU 15 1HB LEU 15 4.228 -6.226 -14.820 259 HB3 LEU 15 2HB LEU 15 5.223 -4.856 -15.326 260 HG LEU 15 HG LEU 15 2.322 -4.594 -14.516 261 HD11 LEU 15 1HD1 LEU 15 4.809 -3.995 -12.847 262 HD12 LEU 15 2HD1 LEU 15 3.770 -5.433 -12.637 263 HD13 LEU 15 3HD1 LEU 15 3.089 -3.811 -12.327 264 HD21 LEU 15 3HD2 LEU 15 3.124 -2.792 -15.947 265 HD22 LEU 15 1HD2 LEU 15 4.476 -2.504 -14.814 266 HD23 LEU 15 2HD2 LEU 15 2.790 -2.226 -14.322 267 H TYR 16 H TYR 16 3.820 -7.832 -17.101 268 HA TYR 16 HA TYR 16 6.358 -7.859 -18.497 269 HB2 TYR 16 1HB TYR 16 5.578 -9.892 -17.459 270 HB3 TYR 16 2HB TYR 16 4.040 -9.817 -18.310 271 HD1 TYR 16 HD1 TYR 16 7.669 -10.228 -18.958 272 HD2 TYR 16 HD2 TYR 16 3.651 -10.875 -20.302 273 HE1 TYR 16 HE1 TYR 16 8.564 -11.612 -20.842 274 HE2 TYR 16 HE2 TYR 16 4.519 -12.284 -22.188 275 HH TYR 16 HH TYR 16 6.316 -13.272 -23.144 276 H LEU 17 H LEU 17 2.988 -7.868 -19.557 277 HA LEU 17 HA LEU 17 3.674 -8.081 -22.332 278 HB2 LEU 17 1HB LEU 17 1.170 -7.317 -20.779 279 HB3 LEU 17 2HB LEU 17 1.240 -7.109 -22.500 280 HG LEU 17 HG LEU 17 1.617 -9.807 -21.118 281 HD11 LEU 17 1HD1 LEU 17 -0.543 -8.825 -20.572 282 HD12 LEU 17 2HD1 LEU 17 -0.705 -10.264 -21.651 283 HD13 LEU 17 3HD1 LEU 17 -0.906 -8.602 -22.316 284 HD21 LEU 17 3HD2 LEU 17 2.413 -9.556 -23.499 285 HD22 LEU 17 1HD2 LEU 17 0.762 -9.183 -24.000 286 HD23 LEU 17 2HD2 LEU 17 1.147 -10.757 -23.287 287 H VAL 18 H VAL 18 3.048 -5.277 -20.198 288 HA VAL 18 HA VAL 18 3.003 -3.438 -22.491 289 HB VAL 18 HB VAL 18 1.837 -3.166 -20.173 290 HG11 VAL 18 1HG1 VAL 18 2.927 -1.814 -18.500 291 HG12 VAL 18 2HG1 VAL 18 3.890 -3.272 -18.771 292 HG13 VAL 18 3HG1 VAL 18 4.405 -1.723 -19.490 293 HG21 VAL 18 3HG2 VAL 18 1.580 -0.833 -20.524 294 HG22 VAL 18 1HG2 VAL 18 3.184 -0.668 -21.262 295 HG23 VAL 18 2HG2 VAL 18 1.923 -1.535 -22.139 296 H CYS 19 H CYS 19 5.483 -4.497 -20.202 297 HA CYS 19 HA CYS 19 7.197 -2.268 -21.140 298 HB2 CYS 19 1HB CYS 19 7.004 -3.275 -18.750 299 HB3 CYS 19 2HB CYS 19 8.284 -4.384 -19.299 300 H GLY 20 H GLY 20 6.838 -5.761 -21.343 301 HA2 GLY 20 1HA GLY 20 7.352 -6.707 -23.462 302 HA3 GLY 20 2HA GLY 20 8.837 -5.786 -23.559 303 H GLU 21 H GLU 21 10.651 -6.279 -22.188 304 HA GLU 21 HA GLU 21 10.523 -9.131 -21.217 305 HB2 GLU 21 1HB GLU 21 12.689 -7.906 -22.983 306 HB3 GLU 21 2HB GLU 21 12.827 -9.462 -22.171 307 HG2 GLU 21 1HG GLU 21 10.941 -10.335 -23.520 308 HG3 GLU 21 2HG GLU 21 10.761 -8.818 -24.318 309 HE2 GLU 21 HE2 GLU 21 11.482 -8.883 -26.152 310 H ARG 22 H ARG 22 11.700 -5.832 -20.624 311 HA ARG 22 HA ARG 22 13.945 -6.630 -19.012 312 HB2 ARG 22 1HB ARG 22 12.308 -4.085 -19.046 313 HB3 ARG 22 2HB ARG 22 13.659 -4.354 -17.929 314 HG2 ARG 22 1HG ARG 22 15.129 -4.839 -19.996 315 HG3 ARG 22 2HG ARG 22 13.755 -4.303 -20.961 316 HD2 ARG 22 1HD ARG 22 15.252 -2.511 -20.778 317 HD3 ARG 22 2HD ARG 22 13.856 -2.181 -19.778 318 HE ARG 22 HE ARG 22 15.140 -2.955 -17.743 319 HH11 ARG 22 1HH1 ARG 22 16.870 -1.584 -20.480 320 HH12 ARG 22 2HH1 ARG 22 18.277 -1.117 -19.586 321 HH21 ARG 22 1HH2 ARG 22 16.957 -2.348 -16.596 322 HH22 ARG 22 2HH2 ARG 22 18.271 -1.564 -17.423 323 H GLY 23 H GLY 23 10.502 -6.656 -18.303 324 HA2 GLY 23 1HA GLY 23 9.483 -7.351 -16.381 325 HA3 GLY 23 2HA GLY 23 11.095 -7.542 -15.628 326 H PHE 24 H PHE 24 9.904 -6.415 -13.810 327 HA PHE 24 HA PHE 24 10.278 -3.480 -13.949 328 HB2 PHE 24 1HB PHE 24 8.094 -3.110 -12.883 329 HB3 PHE 24 2HB PHE 24 7.897 -3.910 -14.461 330 HD1 PHE 24 HD2 PHE 24 7.160 -6.191 -14.645 331 HD2 PHE 24 HD1 PHE 24 7.573 -4.268 -10.817 332 HE1 PHE 24 HE2 PHE 24 5.881 -8.073 -13.587 333 HE2 PHE 24 HE1 PHE 24 6.205 -6.108 -9.740 334 HZ PHE 24 HZ PHE 24 5.474 -8.032 -11.102 335 H PHE 25 H PHE 25 10.227 -2.532 -11.702 336 HA PHE 25 HA PHE 25 11.704 -4.299 -9.907 337 HB2 PHE 25 1HB PHE 25 12.115 -1.824 -10.198 338 HB3 PHE 25 2HB PHE 25 10.618 -1.550 -9.312 339 HD1 PHE 25 HD1 PHE 25 14.083 -2.834 -9.089 340 HD2 PHE 25 HD2 PHE 25 10.483 -1.980 -6.847 341 HE1 PHE 25 HE1 PHE 25 15.357 -2.982 -7.024 342 HE2 PHE 25 HE2 PHE 25 11.782 -2.119 -4.725 343 HZ PHE 25 HZ PHE 25 14.226 -2.639 -4.795 344 H NVA 26 H ARX 26 10.542 -5.983 -9.189 345 HA NVA 26 HA ARX 26 7.911 -5.629 -7.888 346 HB2 NVA 26 1HB ARX 26 7.851 -7.994 -7.945 347 HB3 NVA 26 2HB ARX 26 8.286 -7.369 -9.531 348 HG2 NVA 26 1HG ARX 26 10.554 -8.194 -9.306 349 HG3 NVA 26 2HG ARX 26 10.477 -8.331 -7.578 350 HD2 NVA 26 1HD ARX 26 8.484 -10.084 -8.977 351 HD3 NVA 26 2HD ARX 26 10.074 -10.447 -9.492 352 H THR 27 H THR 27 10.903 -5.317 -6.810 353 HA THR 27 HA THR 27 12.045 -5.099 -4.770 354 HB THR 27 HB THR 27 10.976 -5.124 -2.670 355 HG1 THR 27 HG1 THR 27 9.131 -6.962 -3.870 356 HG21 THR 27 1HG2 THR 27 8.841 -3.964 -2.891 357 HG22 THR 27 2HG2 THR 27 8.692 -4.501 -4.561 358 HG23 THR 27 3HG2 THR 27 9.969 -3.381 -4.103 359 HA PRO 28 HA PRO 28 13.750 -8.981 -4.879 360 HB2 PRO 28 1HB PRO 28 15.185 -9.448 -2.618 361 HB3 PRO 28 2HB PRO 28 15.640 -8.243 -3.816 362 HG2 PRO 28 1HG PRO 28 14.119 -7.895 -1.221 363 HG3 PRO 28 2HG PRO 28 15.458 -6.887 -1.857 364 HD2 PRO 28 1HD PRO 28 12.985 -5.946 -2.197 365 HD3 PRO 28 2HD PRO 28 14.241 -5.795 -3.512 366 H HIX 29 H HIX 29 12.770 -10.834 -4.985 367 HA HIX 29 HA HIX 29 10.862 -12.053 -3.068 368 HB1 HIX 29 1HB HIX 29 12.332 -13.207 -5.606 369 HB2 HIX 29 2HB HIX 29 10.932 -13.955 -4.776 370 HD2 HIX 29 HD2 HIX 29 11.770 -11.336 -7.588 371 HD1 HIX 29 HD1 HIX 29 8.594 -12.277 -5.063 372 H THR 30 H THR 30 12.041 -12.239 -1.124 373 HA THR 30 HA THR 30 13.331 -13.093 0.512 374 HB THR 30 HB THR 30 13.592 -15.676 -1.213 375 HG1 THR 30 HG1 THR 30 11.535 -15.989 -0.355 376 HG21 THR 30 1HG2 THR 30 12.959 -15.491 1.771 377 HG22 THR 30 2HG2 THR 30 14.683 -15.236 1.269 378 HG23 THR 30 3HG2 THR 30 13.800 -16.779 0.901 379 HXT THR 30 H02 THR 30 16.385 -12.305 -0.460 Start of MODEL 23 1 H1 GLY 1 2H0 GLY 1 0.008 -1.749 0.569 2 H2 GLY 1 1H0 GLY 1 -1.088 -0.865 -0.190 3 HA2 GLY 1 1HA GLY 1 1.151 -0.165 -0.789 4 HA3 GLY 1 2HA GLY 1 1.490 -1.805 -1.353 5 H ILE 2 H ILE 2 2.154 -0.672 -3.275 6 HA ILE 2 HA ILE 2 0.328 0.752 -4.896 7 HB ILE 2 HB ILE 2 2.909 0.682 -5.108 8 HG12 ILE 2 1HG1 ILE 2 2.977 0.993 -7.549 9 HG13 ILE 2 2HG1 ILE 2 1.318 0.384 -7.669 10 HG21 ILE 2 1HG2 ILE 2 3.892 -0.963 -6.690 11 HG22 ILE 2 2HG2 ILE 2 3.203 -1.759 -5.233 12 HG23 ILE 2 3HG2 ILE 2 2.323 -1.803 -6.760 13 HD11 ILE 2 3HD1 ILE 2 1.297 2.795 -7.790 14 HD12 ILE 2 1HD1 ILE 2 0.535 2.331 -6.251 15 HD13 ILE 2 2HD1 ILE 2 2.209 2.925 -6.258 16 H VAL 3 H VAL 3 0.777 -2.716 -4.575 17 HA VAL 3 HA VAL 3 -0.704 -3.595 -6.860 18 HB VAL 3 HB VAL 3 -0.329 -4.755 -4.056 19 HG11 VAL 3 1HG1 VAL 3 -2.282 -5.799 -4.562 20 HG12 VAL 3 2HG1 VAL 3 -1.990 -5.819 -6.343 21 HG13 VAL 3 3HG1 VAL 3 -1.127 -6.944 -5.263 22 HG21 VAL 3 3HG2 VAL 3 1.233 -6.282 -5.046 23 HG22 VAL 3 1HG2 VAL 3 0.905 -5.643 -6.706 24 HG23 VAL 3 2HG2 VAL 3 1.702 -4.599 -5.493 25 H GLU 4 H GLU 4 -1.798 -2.866 -3.508 26 HA GLU 4 HA GLU 4 -4.568 -3.408 -4.037 27 HB2 GLU 4 1HB GLU 4 -2.938 -2.367 -1.849 28 HB3 GLU 4 2HB GLU 4 -4.388 -1.415 -2.064 29 HG2 GLU 4 1HG GLU 4 -5.757 -3.516 -1.968 30 HG3 GLU 4 2HG GLU 4 -4.243 -4.453 -1.681 31 HE2 GLU 4 HE2 GLU 4 -6.677 -3.043 -0.344 32 H GLN 5 H GLN 5 -2.583 -0.474 -4.379 33 HA GLN 5 HA GLN 5 -4.773 1.357 -4.913 34 HB2 GLN 5 1HB GLN 5 -1.801 1.290 -5.611 35 HB3 GLN 5 2HB GLN 5 -2.870 2.578 -6.119 36 HG2 GLN 5 1HG GLN 5 -3.290 3.279 -3.890 37 HG3 GLN 5 2HG GLN 5 -2.569 1.795 -3.207 38 HE21 GLN 5 2HE2 GLN 5 -0.790 2.530 -2.130 39 HE22 GLN 5 1HE2 GLN 5 0.449 3.559 -2.833 40 H CYS 6 H CYS 6 -2.854 -0.873 -6.927 41 HA CYS 6 HA CYS 6 -4.051 0.072 -9.469 42 HB2 CYS 6 1HB CYS 6 -1.716 -0.963 -8.955 43 HB3 CYS 6 2HB CYS 6 -2.549 -2.530 -9.072 44 H CYS 7 H CYS 7 -4.886 -2.191 -6.938 45 HA CYS 7 HA CYS 7 -6.769 -3.667 -8.661 46 HB2 CYS 7 1HB CYS 7 -5.457 -4.706 -6.715 47 HB3 CYS 7 2HB CYS 7 -6.405 -3.675 -5.623 48 H THR 8 H THR 8 -6.939 -1.233 -6.047 49 HA THR 8 HA THR 8 -9.926 -1.333 -6.093 50 HB THR 8 HB THR 8 -8.481 -0.987 -3.994 51 HG1 THR 8 HG1 THR 8 -10.231 -0.066 -3.232 52 HG21 THR 8 1HG2 THR 8 -8.288 1.894 -5.002 53 HG22 THR 8 2HG2 THR 8 -6.945 0.744 -5.114 54 HG23 THR 8 3HG2 THR 8 -7.561 1.232 -3.524 55 H SER 9 H SER 9 -7.416 0.514 -7.691 56 HA SER 9 HA SER 9 -9.549 2.237 -8.927 57 HB2 SER 9 1HB SER 9 -7.857 3.520 -7.470 58 HB3 SER 9 2HB SER 9 -6.572 2.865 -8.484 59 HG SER 9 HG SER 9 -7.244 4.956 -9.110 60 H ILE 10 H ILE 10 -8.642 2.885 -11.225 61 HA ILE 10 HA ILE 10 -7.617 0.373 -12.484 62 HB ILE 10 HB ILE 10 -9.094 2.795 -13.595 63 HG12 ILE 10 1HG1 ILE 10 -9.825 -0.173 -13.502 64 HG13 ILE 10 2HG1 ILE 10 -10.365 1.074 -12.369 65 HG21 ILE 10 1HG2 ILE 10 -8.030 0.455 -15.272 66 HG22 ILE 10 2HG2 ILE 10 -9.006 1.790 -15.839 67 HG23 ILE 10 3HG2 ILE 10 -7.358 2.102 -15.303 68 HD11 ILE 10 3HD1 ILE 10 -12.149 0.675 -13.831 69 HD12 ILE 10 1HD1 ILE 10 -11.455 2.229 -14.331 70 HD13 ILE 10 2HD1 ILE 10 -11.116 0.765 -15.284 71 H CYS 11 H CYS 11 -5.524 0.288 -12.834 72 HA CYS 11 HA CYS 11 -3.865 2.623 -13.218 73 HB2 CYS 11 1HB CYS 11 -3.394 -0.269 -13.714 74 HB3 CYS 11 2HB CYS 11 -2.116 0.954 -13.953 75 H SER 12 H SER 12 -3.433 3.683 -15.016 76 HA SER 12 HA SER 12 -4.620 2.881 -17.559 77 HB2 SER 12 1HB SER 12 -2.645 5.064 -17.346 78 HB3 SER 12 2HB SER 12 -4.214 5.064 -18.227 79 HG SER 12 HG SER 12 -5.247 5.126 -16.165 80 H LEU 13 H LEU 13 -3.092 3.063 -19.624 81 HA LEU 13 HA LEU 13 -1.099 1.045 -19.509 82 HB2 LEU 13 1HB LEU 13 -1.894 3.293 -21.382 83 HB3 LEU 13 2HB LEU 13 -0.335 2.474 -21.670 84 HG LEU 13 HG LEU 13 -2.866 0.889 -21.343 85 HD11 LEU 13 1HD1 LEU 13 -3.148 0.914 -23.787 86 HD12 LEU 13 2HD1 LEU 13 -1.811 2.071 -23.945 87 HD13 LEU 13 3HD1 LEU 13 -3.335 2.536 -23.112 88 HD21 LEU 13 3HD2 LEU 13 -0.194 0.414 -22.705 89 HD22 LEU 13 1HD2 LEU 13 -1.572 -0.684 -22.780 90 HD23 LEU 13 2HD2 LEU 13 -0.809 -0.360 -21.196 91 H TYR 14 H TYR 14 -1.105 4.563 -19.310 92 HA TYR 14 HA TYR 14 1.727 4.892 -19.438 93 HB2 TYR 14 1HB TYR 14 0.157 6.984 -17.974 94 HB3 TYR 14 2HB TYR 14 1.294 7.137 -19.286 95 HD1 TYR 14 HD2 TYR 14 0.424 6.332 -21.693 96 HD2 TYR 14 HD1 TYR 14 -2.210 7.061 -18.364 97 HE1 TYR 14 HE2 TYR 14 -1.501 6.315 -23.266 98 HE2 TYR 14 HE1 TYR 14 -4.144 7.135 -20.015 99 HH TYR 14 HH TYR 14 -3.688 6.609 -23.522 100 H GLN 15 H GLN 15 -0.513 4.345 -16.768 101 HA GLN 15 HA GLN 15 1.271 5.067 -14.631 102 HB2 GLN 15 1HB GLN 15 -1.293 3.387 -14.718 103 HB3 GLN 15 2HB GLN 15 -0.405 3.772 -13.207 104 HG2 GLN 15 1HG GLN 15 -1.456 5.912 -15.122 105 HG3 GLN 15 2HG GLN 15 -2.441 5.233 -13.850 106 HE21 GLN 15 2HE2 GLN 15 -2.003 5.745 -11.679 107 HE22 GLN 15 1HE2 GLN 15 -0.834 7.005 -11.192 108 H LEU 16 H LEU 16 0.335 2.036 -16.336 109 HA LEU 16 HA LEU 16 1.984 0.303 -14.727 110 HB2 LEU 16 1HB LEU 16 0.962 0.210 -17.625 111 HB3 LEU 16 2HB LEU 16 1.793 -1.128 -16.835 112 HG LEU 16 HG LEU 16 -0.860 0.020 -15.892 113 HD11 LEU 16 1HD1 LEU 16 -1.020 -1.026 -18.145 114 HD12 LEU 16 2HD1 LEU 16 -1.856 -2.008 -16.921 115 HD13 LEU 16 3HD1 LEU 16 -0.276 -2.521 -17.509 116 HD21 LEU 16 3HD2 LEU 16 -1.023 -2.095 -14.670 117 HD22 LEU 16 1HD2 LEU 16 0.298 -1.006 -14.119 118 HD23 LEU 16 2HD2 LEU 16 0.677 -2.444 -15.126 119 H GLU 17 H GLU 17 2.563 2.207 -17.739 120 HA GLU 17 HA GLU 17 5.231 1.192 -18.168 121 HB2 GLU 17 1HB GLU 17 3.785 3.695 -19.068 122 HB3 GLU 17 2HB GLU 17 5.449 3.337 -19.534 123 HG2 GLU 17 1HG GLU 17 4.723 1.279 -20.643 124 HG3 GLU 17 2HG GLU 17 3.067 1.491 -20.071 125 HE2 GLU 17 HE2 GLU 17 4.382 3.152 -23.371 126 H ASN 18 H ASN 18 3.955 3.609 -16.004 127 HA ASN 18 HA ASN 18 6.500 4.880 -15.505 128 HB2 ASN 18 1HB ASN 18 3.945 4.860 -13.932 129 HB3 ASN 18 2HB ASN 18 5.410 5.629 -13.358 130 HD21 ASN 18 2HD2 ASN 18 2.898 6.802 -13.900 131 HD22 ASN 18 1HD2 ASN 18 3.138 7.938 -15.170 132 H TYR 19 H TYR 19 5.130 1.744 -14.549 133 HA TYR 19 HA TYR 19 7.002 1.693 -12.263 134 HB2 TYR 19 1HB TYR 19 5.334 -0.518 -13.452 135 HB3 TYR 19 2HB TYR 19 6.177 -0.552 -11.891 136 HD1 TYR 19 HD1 TYR 19 5.396 2.283 -10.912 137 HD2 TYR 19 HD2 TYR 19 3.155 -0.848 -12.708 138 HE1 TYR 19 HE1 TYR 19 3.347 3.134 -9.845 139 HE2 TYR 19 HE2 TYR 19 1.084 0.025 -11.669 140 HH TYR 19 HH TYR 19 1.074 2.896 -9.542 141 H CYS 20 H CYS 20 7.017 0.933 -15.621 142 HA CYS 20 HA CYS 20 9.143 -1.002 -15.587 143 HB2 CYS 20 1HB CYS 20 7.860 0.767 -17.704 144 HB3 CYS 20 2HB CYS 20 9.361 -0.117 -18.050 145 H ASN 21 H ASN 21 11.318 -0.543 -16.497 146 HA ASN 21 HA ASN 21 12.542 1.855 -15.347 147 HB2 ASN 21 1HB ASN 21 13.736 -0.367 -15.400 148 HB3 ASN 21 2HB ASN 21 13.707 -0.313 -17.169 149 HD21 ASN 21 2HD2 ASN 21 15.409 0.690 -18.218 150 HD22 ASN 21 1HD2 ASN 21 16.494 1.776 -17.436 151 HXT ASN 21 H02 ASN 21 12.209 3.569 -16.179 152 H1 PHE 1 2H0 PHE 1 -4.000 -3.814 -25.683 153 H2 PHE 1 1H0 PHE 1 -5.516 -4.217 -25.895 154 HA PHE 1 HA PHE 1 -4.872 -3.884 -23.603 155 HB2 PHE 1 1HB PHE 1 -3.458 -1.827 -24.357 156 HB3 PHE 1 2HB PHE 1 -4.962 -0.879 -24.188 157 HD1 PHE 1 HD1 PHE 1 -2.580 -3.198 -22.374 158 HD2 PHE 1 HD2 PHE 1 -5.709 -0.196 -21.837 159 HE1 PHE 1 HE1 PHE 1 -2.145 -3.155 -19.998 160 HE2 PHE 1 HE2 PHE 1 -5.297 -0.168 -19.396 161 HZ PHE 1 HZ PHE 1 -3.502 -1.630 -18.521 162 H VAL 2 H VAL 2 -6.081 -3.349 -21.991 163 HA VAL 2 HA VAL 2 -8.761 -2.079 -22.439 164 HB VAL 2 HB VAL 2 -9.418 -4.376 -22.772 165 HG11 VAL 2 1HG1 VAL 2 -7.355 -5.524 -22.062 166 HG12 VAL 2 2HG1 VAL 2 -7.681 -5.124 -20.354 167 HG13 VAL 2 3HG1 VAL 2 -8.752 -6.245 -21.235 168 HG21 VAL 2 3HG2 VAL 2 -9.835 -3.715 -19.812 169 HG22 VAL 2 1HG2 VAL 2 -10.835 -3.136 -21.194 170 HG23 VAL 2 2HG2 VAL 2 -10.797 -4.890 -20.774 171 H ASN 3 H ASN 3 -9.031 -0.623 -20.966 172 HA ASN 3 HA ASN 3 -7.252 -0.452 -18.619 173 HB2 ASN 3 1HB ASN 3 -8.638 1.473 -17.942 174 HB3 ASN 3 2HB ASN 3 -8.141 1.610 -19.636 175 HD21 ASN 3 2HD2 ASN 3 -10.792 1.649 -17.461 176 HD22 ASN 3 1HD2 ASN 3 -12.064 1.607 -18.647 177 H GLN 4 H GLN 4 -7.528 -1.359 -16.700 178 HA GLN 4 HA GLN 4 -10.132 -2.311 -15.839 179 HB2 GLN 4 1HB GLN 4 -9.499 -4.704 -15.787 180 HB3 GLN 4 2HB GLN 4 -9.389 -4.063 -17.455 181 HG2 GLN 4 1HG GLN 4 -6.949 -3.989 -17.261 182 HG3 GLN 4 2HG GLN 4 -7.017 -4.313 -15.535 183 HE21 GLN 4 2HE2 GLN 4 -7.602 -5.641 -18.673 184 HE22 GLN 4 1HE2 GLN 4 -7.517 -7.289 -18.194 185 H HIS 5 H HIS 5 -9.921 -3.430 -13.672 186 HA HIS 5 HA HIS 5 -7.834 -2.142 -12.015 187 HB2 HIS 5 1HB HIS 5 -9.923 -4.287 -11.468 188 HB3 HIS 5 2HB HIS 5 -8.900 -3.602 -10.242 189 HD1 HIS 5 HD1 HIS 5 -9.208 -0.973 -9.657 190 HD2 HIS 5 HD2 HIS 5 -12.190 -2.762 -11.931 191 HE1 HIS 5 HE1 HIS 5 -11.234 0.572 -9.492 192 HE2 HIS 5 HE2 HIS 5 -13.055 -0.515 -10.958 193 H LEU 6 H LEU 6 -5.892 -3.225 -11.301 194 HA LEU 6 HA LEU 6 -5.581 -6.016 -12.496 195 HB2 LEU 6 1HB LEU 6 -3.524 -3.849 -11.851 196 HB3 LEU 6 2HB LEU 6 -3.152 -5.505 -12.252 197 HG LEU 6 HG LEU 6 -2.550 -4.220 -14.124 198 HD11 LEU 6 1HD1 LEU 6 -3.389 -6.337 -14.760 199 HD12 LEU 6 2HD1 LEU 6 -4.020 -5.159 -15.933 200 HD13 LEU 6 3HD1 LEU 6 -5.075 -5.797 -14.656 201 HD21 LEU 6 3HD2 LEU 6 -4.303 -2.315 -13.631 202 HD22 LEU 6 1HD2 LEU 6 -5.350 -3.249 -14.676 203 HD23 LEU 6 2HD2 LEU 6 -3.801 -2.652 -15.311 204 H CYS 7 H CYS 7 -5.345 -7.582 -10.883 205 HA CYS 7 HA CYS 7 -4.623 -6.591 -8.142 206 HB2 CYS 7 1HB CYS 7 -6.846 -8.579 -8.845 207 HB3 CYS 7 2HB CYS 7 -6.404 -8.011 -7.206 208 H GLY 8 H GLY 8 -3.146 -7.890 -7.140 209 HA2 GLY 8 1HA GLY 8 -1.836 -9.775 -6.724 210 HA3 GLY 8 2HA GLY 8 -3.186 -10.706 -7.393 211 H SER 9 H SER 9 -2.559 -12.023 -8.906 212 HA SER 9 HA SER 9 -0.134 -11.878 -10.338 213 HB2 SER 9 1HB SER 9 -2.619 -13.371 -11.103 214 HB3 SER 9 2HB SER 9 -0.886 -13.768 -11.521 215 HG SER 9 HG SER 9 -1.519 -15.047 -9.853 216 H HIS 10 H HIS 10 -3.167 -10.293 -11.028 217 HA HIS 10 HA HIS 10 -2.725 -10.290 -13.931 218 HB2 HIS 10 1HB HIS 10 -4.650 -9.150 -12.089 219 HB3 HIS 10 2HB HIS 10 -4.182 -7.994 -13.383 220 HD1 HIS 10 HD1 HIS 10 -6.394 -8.079 -14.726 221 HD2 HIS 10 HD2 HIS 10 -4.685 -11.888 -13.989 222 HE1 HIS 10 HE1 HIS 10 -7.729 -9.755 -16.052 223 HE2 HIS 10 HE2 HIS 10 -6.683 -12.051 -15.590 224 H LEU 11 H LEU 11 -1.287 -8.575 -11.242 225 HA LEU 11 HA LEU 11 -0.736 -6.164 -12.753 226 HB2 LEU 11 1HB LEU 11 -0.021 -7.317 -10.113 227 HB3 LEU 11 2HB LEU 11 1.250 -6.276 -10.779 228 HG LEU 11 HG LEU 11 -1.103 -4.785 -11.091 229 HD11 LEU 11 1HD1 LEU 11 -0.918 -6.012 -8.293 230 HD12 LEU 11 2HD1 LEU 11 -2.149 -6.458 -9.498 231 HD13 LEU 11 3HD1 LEU 11 -2.085 -4.810 -8.854 232 HD21 LEU 11 3HD2 LEU 11 1.142 -4.705 -9.028 233 HD22 LEU 11 1HD2 LEU 11 -0.009 -3.383 -9.356 234 HD23 LEU 11 2HD2 LEU 11 1.110 -3.898 -10.611 235 H VAL 12 H VAL 12 1.246 -8.943 -11.751 236 HA VAL 12 HA VAL 12 3.573 -8.205 -13.092 237 HB VAL 12 HB VAL 12 3.988 -9.806 -11.501 238 HG11 VAL 12 1HG1 VAL 12 1.728 -10.662 -11.172 239 HG12 VAL 12 2HG1 VAL 12 1.883 -11.652 -12.652 240 HG13 VAL 12 3HG1 VAL 12 2.929 -11.953 -11.236 241 HG21 VAL 12 3HG2 VAL 12 3.982 -11.537 -14.031 242 HG22 VAL 12 1HG2 VAL 12 5.221 -10.330 -13.620 243 HG23 VAL 12 2HG2 VAL 12 5.008 -11.712 -12.571 244 H GLU 13 H GLU 13 0.926 -10.251 -14.229 245 HA GLU 13 HA GLU 13 2.037 -10.765 -16.852 246 HB2 GLU 13 1HB GLU 13 -0.835 -10.547 -15.811 247 HB3 GLU 13 2HB GLU 13 -0.403 -11.080 -17.446 248 HG2 GLU 13 1HG GLU 13 0.807 -12.977 -16.581 249 HG3 GLU 13 2HG GLU 13 0.576 -12.426 -14.900 250 HE2 GLU 13 HE2 GLU 13 -0.498 -13.984 -14.276 251 H ALA 14 H ALA 14 -0.037 -8.134 -15.701 252 HA ALA 14 HA ALA 14 -0.301 -6.971 -18.290 253 HB1 ALA 14 3HB ALA 14 -0.369 -5.592 -15.518 254 HB2 ALA 14 1HB ALA 14 -0.933 -4.813 -16.999 255 HB3 ALA 14 2HB ALA 14 -1.782 -6.250 -16.378 256 H LEU 15 H LEU 15 2.128 -6.444 -15.670 257 HA LEU 15 HA LEU 15 3.421 -4.361 -17.184 258 HB2 LEU 15 1HB LEU 15 4.550 -6.159 -15.002 259 HB3 LEU 15 2HB LEU 15 5.392 -4.695 -15.607 260 HG LEU 15 HG LEU 15 2.654 -4.662 -14.328 261 HD11 LEU 15 1HD1 LEU 15 3.730 -3.828 -12.270 262 HD12 LEU 15 2HD1 LEU 15 5.314 -3.966 -13.033 263 HD13 LEU 15 3HD1 LEU 15 4.356 -5.413 -12.680 264 HD21 LEU 15 3HD2 LEU 15 4.495 -2.417 -15.008 265 HD22 LEU 15 1HD2 LEU 15 2.989 -2.263 -14.123 266 HD23 LEU 15 2HD2 LEU 15 2.977 -2.816 -15.790 267 H TYR 16 H TYR 16 3.949 -7.879 -17.041 268 HA TYR 16 HA TYR 16 6.444 -7.857 -18.574 269 HB2 TYR 16 1HB TYR 16 5.699 -9.867 -17.437 270 HB3 TYR 16 2HB TYR 16 4.178 -9.857 -18.308 271 HD1 TYR 16 HD2 TYR 16 7.797 -10.527 -18.604 272 HD2 TYR 16 HD1 TYR 16 4.007 -10.811 -20.492 273 HE1 TYR 16 HE2 TYR 16 8.742 -12.110 -20.320 274 HE2 TYR 16 HE1 TYR 16 4.930 -12.422 -22.173 275 HH TYR 16 HH TYR 16 6.803 -13.625 -22.864 276 H LEU 17 H LEU 17 3.012 -7.901 -19.513 277 HA LEU 17 HA LEU 17 3.496 -8.062 -22.350 278 HB2 LEU 17 1HB LEU 17 1.176 -7.046 -20.692 279 HB3 LEU 17 2HB LEU 17 1.164 -7.067 -22.448 280 HG LEU 17 HG LEU 17 1.510 -9.590 -20.741 281 HD11 LEU 17 1HD1 LEU 17 -0.764 -8.620 -20.379 282 HD12 LEU 17 2HD1 LEU 17 -0.943 -9.975 -21.534 283 HD13 LEU 17 3HD1 LEU 17 -0.949 -8.294 -22.120 284 HD21 LEU 17 3HD2 LEU 17 2.365 -9.776 -23.108 285 HD22 LEU 17 1HD2 LEU 17 0.766 -9.293 -23.670 286 HD23 LEU 17 2HD2 LEU 17 0.972 -10.804 -22.781 287 H VAL 18 H VAL 18 3.001 -5.217 -20.211 288 HA VAL 18 HA VAL 18 2.907 -3.441 -22.460 289 HB VAL 18 HB VAL 18 1.920 -3.131 -20.080 290 HG11 VAL 18 1HG1 VAL 18 4.636 -1.811 -19.525 291 HG12 VAL 18 2HG1 VAL 18 3.244 -1.895 -18.408 292 HG13 VAL 18 3HG1 VAL 18 4.106 -3.346 -18.837 293 HG21 VAL 18 3HG2 VAL 18 1.490 -1.529 -21.637 294 HG22 VAL 18 1HG2 VAL 18 2.112 -0.670 -20.213 295 HG23 VAL 18 2HG2 VAL 18 3.144 -0.932 -21.658 296 H CYS 19 H CYS 19 5.439 -4.679 -20.456 297 HA CYS 19 HA CYS 19 7.328 -2.622 -21.409 298 HB2 CYS 19 1HB CYS 19 7.080 -4.131 -19.158 299 HB3 CYS 19 2HB CYS 19 8.553 -4.779 -19.921 300 H GLY 20 H GLY 20 6.386 -5.804 -22.390 301 HA2 GLY 20 1HA GLY 20 7.161 -7.145 -24.029 302 HA3 GLY 20 2HA GLY 20 8.076 -5.780 -24.664 303 H GLU 21 H GLU 21 8.067 -8.198 -22.057 304 HA GLU 21 HA GLU 21 9.578 -9.721 -21.298 305 HB2 GLU 21 1HB GLU 21 11.688 -8.858 -23.320 306 HB3 GLU 21 2HB GLU 21 11.649 -10.248 -22.288 307 HG2 GLU 21 1HG GLU 21 9.746 -11.199 -23.463 308 HG3 GLU 21 2HG GLU 21 9.717 -9.843 -24.599 309 HE2 GLU 21 HE2 GLU 21 10.662 -10.052 -26.238 310 H ARG 22 H ARG 22 10.560 -6.425 -21.651 311 HA ARG 22 HA ARG 22 12.903 -6.469 -20.068 312 HB2 ARG 22 1HB ARG 22 10.774 -4.372 -20.326 313 HB3 ARG 22 2HB ARG 22 12.301 -4.133 -19.491 314 HG2 ARG 22 1HG ARG 22 12.104 -4.932 -22.408 315 HG3 ARG 22 2HG ARG 22 12.221 -3.272 -21.846 316 HD2 ARG 22 1HD ARG 22 14.305 -5.388 -21.185 317 HD3 ARG 22 2HD ARG 22 14.432 -4.209 -22.548 318 HE ARG 22 HE ARG 22 14.062 -2.637 -20.282 319 HH11 ARG 22 1HH1 ARG 22 16.382 -5.171 -21.121 320 HH12 ARG 22 2HH1 ARG 22 17.659 -4.478 -20.109 321 HH21 ARG 22 1HH2 ARG 22 15.708 -1.822 -18.981 322 HH22 ARG 22 2HH2 ARG 22 17.261 -2.653 -18.856 323 H GLY 23 H GLY 23 9.570 -6.677 -19.193 324 HA2 GLY 23 1HA GLY 23 8.480 -7.020 -17.159 325 HA3 GLY 23 2HA GLY 23 10.030 -7.635 -16.596 326 H PHE 24 H PHE 24 9.782 -6.786 -14.589 327 HA PHE 24 HA PHE 24 10.362 -3.875 -14.269 328 HB2 PHE 24 1HB PHE 24 8.472 -3.680 -12.695 329 HB3 PHE 24 2HB PHE 24 7.815 -4.110 -14.309 330 HD1 PHE 24 HD1 PHE 24 6.963 -6.342 -14.729 331 HD2 PHE 24 HD2 PHE 24 8.373 -5.176 -10.848 332 HE1 PHE 24 HE1 PHE 24 5.830 -8.378 -13.777 333 HE2 PHE 24 HE2 PHE 24 7.197 -7.202 -9.889 334 HZ PHE 24 HZ PHE 24 5.947 -8.796 -11.306 335 H PHE 25 H PHE 25 10.820 -3.503 -11.880 336 HA PHE 25 HA PHE 25 12.312 -5.861 -10.951 337 HB2 PHE 25 1HB PHE 25 13.544 -3.766 -11.465 338 HB3 PHE 25 2HB PHE 25 12.690 -2.984 -10.105 339 HD1 PHE 25 HD2 PHE 25 13.126 -3.806 -7.755 340 HD2 PHE 25 HD1 PHE 25 15.428 -5.261 -11.099 341 HE1 PHE 25 HE2 PHE 25 14.886 -4.690 -6.183 342 HE2 PHE 25 HE1 PHE 25 17.021 -6.361 -9.526 343 HZ PHE 25 HZ PHE 25 16.815 -5.976 -7.089 344 H NVA 26 H ARX 26 11.252 -7.052 -9.630 345 HA NVA 26 HA ARX 26 9.539 -5.978 -7.459 346 HB2 NVA 26 1HB ARX 26 8.751 -8.000 -8.756 347 HB3 NVA 26 2HB ARX 26 10.241 -8.865 -8.226 348 HG2 NVA 26 1HG ARX 26 9.239 -8.436 -5.753 349 HG3 NVA 26 2HG ARX 26 7.796 -7.868 -6.545 350 HD2 NVA 26 1HD ARX 26 7.124 -9.984 -7.198 351 HD3 NVA 26 2HD ARX 26 8.782 -10.488 -7.628 352 H THR 27 H THR 27 10.010 -5.988 -5.399 353 HA THR 27 HA THR 27 12.811 -5.847 -4.717 354 HB THR 27 HB THR 27 11.926 -5.507 -2.336 355 HG1 THR 27 HG1 THR 27 10.050 -6.750 -2.555 356 HG21 THR 27 1HG2 THR 27 12.171 -3.474 -3.471 357 HG22 THR 27 2HG2 THR 27 10.483 -3.454 -2.930 358 HG23 THR 27 3HG2 THR 27 10.863 -3.846 -4.658 359 HA PRO 28 HA PRO 28 13.389 -9.968 -4.154 360 HB2 PRO 28 1HB PRO 28 15.193 -10.326 -2.123 361 HB3 PRO 28 2HB PRO 28 15.638 -9.532 -3.675 362 HG2 PRO 28 1HG PRO 28 14.785 -8.215 -1.091 363 HG3 PRO 28 2HG PRO 28 16.259 -8.012 -2.103 364 HD2 PRO 28 1HD PRO 28 14.056 -6.396 -2.331 365 HD3 PRO 28 2HD PRO 28 15.045 -6.870 -3.715 366 H HIX 29 H HIX 29 11.812 -11.131 -3.657 367 HA HIX 29 HA HIX 29 10.149 -11.113 -1.374 368 HB1 HIX 29 1HB HIX 29 10.459 -13.288 -3.451 369 HB2 HIX 29 2HB HIX 29 9.182 -13.273 -2.283 370 HD2 HIX 29 HD2 HIX 29 10.470 -11.172 -5.406 371 HD1 HIX 29 HD1 HIX 29 6.967 -11.935 -3.152 372 H THR 30 H THR 30 10.921 -11.354 0.484 373 HA THR 30 HA THR 30 12.370 -13.808 1.348 374 HB THR 30 HB THR 30 13.989 -12.194 2.546 375 HG1 THR 30 HG1 THR 30 13.364 -10.367 0.484 376 HG21 THR 30 1HG2 THR 30 14.800 -13.573 0.631 377 HG22 THR 30 2HG2 THR 30 15.508 -11.951 0.677 378 HG23 THR 30 3HG2 THR 30 14.163 -12.308 -0.484 379 HXT THR 30 H02 THR 30 11.695 -10.850 2.725 Start of MODEL 24 1 H1 GLY 1 2H0 GLY 1 -0.345 1.222 -1.145 2 H2 GLY 1 1H0 GLY 1 -1.165 -0.084 -0.645 3 HA2 GLY 1 1HA GLY 1 1.576 -0.241 -1.741 4 HA3 GLY 1 2HA GLY 1 0.478 -1.539 -1.468 5 H ILE 2 H ILE 2 2.017 -0.678 -3.844 6 HA ILE 2 HA ILE 2 0.132 0.751 -5.509 7 HB ILE 2 HB ILE 2 2.673 0.585 -5.782 8 HG12 ILE 2 1HG1 ILE 2 2.649 0.657 -8.258 9 HG13 ILE 2 2HG1 ILE 2 0.950 0.125 -8.252 10 HG21 ILE 2 1HG2 ILE 2 3.694 -1.187 -7.048 11 HG22 ILE 2 2HG2 ILE 2 2.813 -1.939 -5.674 12 HG23 ILE 2 3HG2 ILE 2 2.100 -1.988 -7.343 13 HD11 ILE 2 3HD1 ILE 2 1.914 2.681 -6.838 14 HD12 ILE 2 1HD1 ILE 2 1.316 2.639 -8.488 15 HD13 ILE 2 2HD1 ILE 2 0.226 2.172 -7.155 16 H VAL 3 H VAL 3 0.678 -2.743 -4.972 17 HA VAL 3 HA VAL 3 -1.018 -3.709 -7.077 18 HB VAL 3 HB VAL 3 -0.748 -4.918 -4.218 19 HG11 VAL 3 1HG1 VAL 3 -1.464 -6.178 -6.916 20 HG12 VAL 3 2HG1 VAL 3 -1.238 -7.055 -5.374 21 HG13 VAL 3 3HG1 VAL 3 -2.574 -5.889 -5.542 22 HG21 VAL 3 3HG2 VAL 3 0.995 -5.429 -6.708 23 HG22 VAL 3 1HG2 VAL 3 1.499 -4.592 -5.204 24 HG23 VAL 3 2HG2 VAL 3 1.097 -6.307 -5.117 25 H GLU 4 H GLU 4 -1.795 -2.617 -3.767 26 HA GLU 4 HA GLU 4 -4.563 -3.282 -3.786 27 HB2 GLU 4 1HB GLU 4 -2.677 -1.909 -2.062 28 HB3 GLU 4 2HB GLU 4 -4.051 -0.848 -2.315 29 HG2 GLU 4 1HG GLU 4 -5.587 -2.584 -1.590 30 HG3 GLU 4 2HG GLU 4 -4.216 -3.649 -1.212 31 HE2 GLU 4 HE2 GLU 4 -5.300 -1.714 1.672 32 H GLN 5 H GLN 5 -2.727 -0.415 -4.684 33 HA GLN 5 HA GLN 5 -4.985 1.198 -5.202 34 HB2 GLN 5 1HB GLN 5 -2.168 1.289 -6.335 35 HB3 GLN 5 2HB GLN 5 -3.410 2.517 -6.644 36 HG2 GLN 5 1HG GLN 5 -3.518 3.210 -4.395 37 HG3 GLN 5 2HG GLN 5 -2.536 1.817 -3.832 38 HE21 GLN 5 2HE2 GLN 5 -0.743 2.542 -3.129 39 HE22 GLN 5 1HE2 GLN 5 0.299 3.695 -3.957 40 H CYS 6 H CYS 6 -3.048 -0.918 -7.281 41 HA CYS 6 HA CYS 6 -4.538 -0.281 -9.645 42 HB2 CYS 6 1HB CYS 6 -2.207 -1.434 -9.092 43 HB3 CYS 6 2HB CYS 6 -3.159 -2.907 -9.431 44 H CYS 7 H CYS 7 -5.148 -2.371 -6.976 45 HA CYS 7 HA CYS 7 -6.983 -4.144 -8.372 46 HB2 CYS 7 1HB CYS 7 -5.556 -4.913 -6.480 47 HB3 CYS 7 2HB CYS 7 -6.461 -3.876 -5.399 48 H THR 8 H THR 8 -7.247 -1.399 -6.045 49 HA THR 8 HA THR 8 -10.137 -1.520 -6.268 50 HB THR 8 HB THR 8 -9.003 -0.955 -4.124 51 HG1 THR 8 HG1 THR 8 -10.839 0.816 -5.428 52 HG21 THR 8 1HG2 THR 8 -8.522 1.751 -5.351 53 HG22 THR 8 2HG2 THR 8 -7.250 0.496 -5.125 54 HG23 THR 8 3HG2 THR 8 -8.118 1.189 -3.706 55 H SER 9 H SER 9 -7.596 0.195 -7.951 56 HA SER 9 HA SER 9 -9.615 1.950 -9.393 57 HB2 SER 9 1HB SER 9 -8.167 3.280 -7.801 58 HB3 SER 9 2HB SER 9 -6.760 2.633 -8.653 59 HG SER 9 HG SER 9 -7.312 4.672 -9.446 60 H ILE 10 H ILE 10 -8.064 2.729 -11.465 61 HA ILE 10 HA ILE 10 -6.944 0.172 -12.456 62 HB ILE 10 HB ILE 10 -8.575 2.224 -14.051 63 HG12 ILE 10 1HG1 ILE 10 -9.153 -0.723 -13.532 64 HG13 ILE 10 2HG1 ILE 10 -9.810 0.581 -12.511 65 HG21 ILE 10 1HG2 ILE 10 -6.761 1.351 -15.465 66 HG22 ILE 10 2HG2 ILE 10 -7.212 -0.331 -14.990 67 HG23 ILE 10 3HG2 ILE 10 -8.325 0.669 -15.923 68 HD11 ILE 10 3HD1 ILE 10 -10.947 1.460 -14.560 69 HD12 ILE 10 1HD1 ILE 10 -10.442 0.014 -15.411 70 HD13 ILE 10 2HD1 ILE 10 -11.503 -0.095 -14.007 71 H CYS 11 H CYS 11 -4.994 0.183 -13.171 72 HA CYS 11 HA CYS 11 -3.455 2.671 -13.330 73 HB2 CYS 11 1HB CYS 11 -2.672 -0.220 -13.855 74 HB3 CYS 11 2HB CYS 11 -1.530 1.107 -13.697 75 H SER 12 H SER 12 -3.430 3.818 -15.260 76 HA SER 12 HA SER 12 -4.325 2.715 -17.782 77 HB2 SER 12 1HB SER 12 -2.623 5.213 -17.694 78 HB3 SER 12 2HB SER 12 -4.175 4.904 -18.437 79 HG SER 12 HG SER 12 -5.140 5.402 -16.509 80 H LEU 13 H LEU 13 -2.882 3.123 -19.720 81 HA LEU 13 HA LEU 13 -0.733 1.345 -19.736 82 HB2 LEU 13 1HB LEU 13 -1.408 3.719 -21.504 83 HB3 LEU 13 2HB LEU 13 0.054 2.777 -21.814 84 HG LEU 13 HG LEU 13 -2.731 1.618 -21.766 85 HD11 LEU 13 1HD1 LEU 13 -2.696 1.813 -24.185 86 HD12 LEU 13 2HD1 LEU 13 -1.052 2.470 -24.150 87 HD13 LEU 13 3HD1 LEU 13 -2.405 3.409 -23.491 88 HD21 LEU 13 3HD2 LEU 13 -0.042 0.578 -22.615 89 HD22 LEU 13 1HD2 LEU 13 -1.558 -0.117 -23.208 90 HD23 LEU 13 2HD2 LEU 13 -1.182 -0.160 -21.487 91 H TYR 14 H TYR 14 -0.606 4.909 -19.299 92 HA TYR 14 HA TYR 14 2.177 5.088 -19.314 93 HB2 TYR 14 1HB TYR 14 0.711 7.008 -17.696 94 HB3 TYR 14 2HB TYR 14 1.937 7.282 -18.945 95 HD1 TYR 14 HD1 TYR 14 1.138 6.870 -21.452 96 HD2 TYR 14 HD2 TYR 14 -1.633 7.261 -18.164 97 HE1 TYR 14 HE1 TYR 14 -0.748 7.269 -23.026 98 HE2 TYR 14 HE2 TYR 14 -3.542 7.610 -19.794 99 HH TYR 14 HH TYR 14 -2.976 7.601 -23.368 100 H GLN 15 H GLN 15 -0.191 4.406 -16.804 101 HA GLN 15 HA GLN 15 1.577 4.984 -14.563 102 HB2 GLN 15 1HB GLN 15 -0.916 3.271 -14.712 103 HB3 GLN 15 2HB GLN 15 -0.127 3.804 -13.244 104 HG2 GLN 15 1HG GLN 15 -1.402 5.636 -15.314 105 HG3 GLN 15 2HG GLN 15 -2.152 5.191 -13.775 106 HE21 GLN 15 2HE2 GLN 15 -1.741 6.336 -11.966 107 HE22 GLN 15 1HE2 GLN 15 -0.520 7.591 -11.894 108 H LEU 16 H LEU 16 0.782 2.164 -16.527 109 HA LEU 16 HA LEU 16 2.233 0.269 -14.852 110 HB2 LEU 16 1HB LEU 16 1.211 0.171 -17.737 111 HB3 LEU 16 2HB LEU 16 1.954 -1.141 -16.866 112 HG LEU 16 HG LEU 16 -0.637 0.207 -16.083 113 HD11 LEU 16 1HD1 LEU 16 -1.731 -1.719 -17.110 114 HD12 LEU 16 2HD1 LEU 16 -0.147 -2.395 -17.551 115 HD13 LEU 16 3HD1 LEU 16 -0.724 -0.878 -18.254 116 HD21 LEU 16 3HD2 LEU 16 -0.939 -1.927 -14.702 117 HD22 LEU 16 1HD2 LEU 16 0.369 -0.854 -14.158 118 HD23 LEU 16 2HD2 LEU 16 0.750 -2.301 -15.066 119 H GLU 17 H GLU 17 2.897 2.262 -17.696 120 HA GLU 17 HA GLU 17 5.485 1.137 -18.274 121 HB2 GLU 17 1HB GLU 17 4.077 3.726 -18.910 122 HB3 GLU 17 2HB GLU 17 5.771 3.542 -19.354 123 HG2 GLU 17 1HG GLU 17 3.669 1.531 -20.228 124 HG3 GLU 17 2HG GLU 17 4.035 2.953 -21.149 125 HE2 GLU 17 HE2 GLU 17 4.339 0.719 -22.216 126 H ASN 18 H ASN 18 4.404 3.715 -15.986 127 HA ASN 18 HA ASN 18 7.075 4.584 -15.290 128 HB2 ASN 18 1HB ASN 18 4.349 4.658 -13.878 129 HB3 ASN 18 2HB ASN 18 5.821 5.315 -13.131 130 HD21 ASN 18 2HD2 ASN 18 3.174 6.616 -14.235 131 HD22 ASN 18 1HD2 ASN 18 3.813 7.885 -15.212 132 H TYR 19 H TYR 19 5.318 1.694 -14.486 133 HA TYR 19 HA TYR 19 6.829 1.282 -11.990 134 HB2 TYR 19 1HB TYR 19 5.040 -0.643 -13.447 135 HB3 TYR 19 2HB TYR 19 5.634 -0.804 -11.798 136 HD1 TYR 19 HD1 TYR 19 4.932 2.362 -11.222 137 HD2 TYR 19 HD2 TYR 19 2.768 -1.069 -12.646 138 HE1 TYR 19 HE1 TYR 19 2.792 3.403 -10.481 139 HE2 TYR 19 HE2 TYR 19 0.628 0.005 -11.979 140 HH TYR 19 HH TYR 19 0.529 3.132 -10.369 141 H CYS 20 H CYS 20 6.863 0.345 -15.375 142 HA CYS 20 HA CYS 20 9.016 -1.673 -14.841 143 HB2 CYS 20 1HB CYS 20 8.799 -2.429 -16.964 144 HB3 CYS 20 2HB CYS 20 7.138 -2.087 -16.510 145 H ASN 21 H ASN 21 10.743 -1.565 -16.742 146 HA ASN 21 HA ASN 21 12.317 0.841 -16.023 147 HB2 ASN 21 1HB ASN 21 13.023 -1.730 -16.868 148 HB3 ASN 21 2HB ASN 21 13.045 -0.922 -18.434 149 HD21 ASN 21 2HD2 ASN 21 14.862 -1.520 -15.759 150 HD22 ASN 21 1HD2 ASN 21 16.100 -0.318 -16.029 151 HXT ASN 21 H02 ASN 21 11.214 2.868 -18.378 152 H1 PHE 1 2H0 PHE 1 -6.756 -1.104 -26.512 153 H2 PHE 1 1H0 PHE 1 -6.155 0.315 -26.034 154 HA PHE 1 HA PHE 1 -5.752 -2.165 -24.583 155 HB2 PHE 1 1HB PHE 1 -3.948 -0.519 -24.482 156 HB3 PHE 1 2HB PHE 1 -5.004 0.741 -23.874 157 HD1 PHE 1 HD1 PHE 1 -6.061 0.569 -21.498 158 HD2 PHE 1 HD2 PHE 1 -3.008 -2.075 -22.882 159 HE1 PHE 1 HE1 PHE 1 -5.516 -0.100 -19.138 160 HE2 PHE 1 HE2 PHE 1 -2.451 -2.743 -20.540 161 HZ PHE 1 HZ PHE 1 -3.785 -1.673 -18.720 162 H VAL 2 H VAL 2 -6.951 -2.726 -22.977 163 HA VAL 2 HA VAL 2 -9.431 -1.150 -22.569 164 HB VAL 2 HB VAL 2 -8.994 -4.139 -22.109 165 HG11 VAL 2 1HG1 VAL 2 -11.470 -4.209 -21.871 166 HG12 VAL 2 2HG1 VAL 2 -10.679 -3.282 -20.559 167 HG13 VAL 2 3HG1 VAL 2 -11.497 -2.415 -21.904 168 HG21 VAL 2 3HG2 VAL 2 -10.192 -2.578 -24.429 169 HG22 VAL 2 1HG2 VAL 2 -9.024 -3.906 -24.492 170 HG23 VAL 2 2HG2 VAL 2 -10.720 -4.234 -24.109 171 H ASN 3 H ASN 3 -9.757 -0.190 -20.784 172 HA ASN 3 HA ASN 3 -7.842 -0.416 -18.604 173 HB2 ASN 3 1HB ASN 3 -10.293 1.186 -19.269 174 HB3 ASN 3 2HB ASN 3 -9.722 1.118 -17.576 175 HD21 ASN 3 2HD2 ASN 3 -9.726 3.101 -20.049 176 HD22 ASN 3 1HD2 ASN 3 -8.127 3.792 -20.024 177 H GLN 4 H GLN 4 -8.021 -1.788 -16.921 178 HA GLN 4 HA GLN 4 -10.610 -2.778 -15.954 179 HB2 GLN 4 1HB GLN 4 -9.941 -5.199 -16.273 180 HB3 GLN 4 2HB GLN 4 -10.212 -4.383 -17.802 181 HG2 GLN 4 1HG GLN 4 -7.643 -3.966 -17.789 182 HG3 GLN 4 2HG GLN 4 -7.578 -5.182 -16.520 183 HE21 GLN 4 2HE2 GLN 4 -7.650 -4.627 -19.855 184 HE22 GLN 4 1HE2 GLN 4 -7.873 -6.283 -20.386 185 H HIS 5 H HIS 5 -10.217 -4.023 -13.932 186 HA HIS 5 HA HIS 5 -8.029 -2.789 -12.409 187 HB2 HIS 5 1HB HIS 5 -10.235 -4.747 -11.688 188 HB3 HIS 5 2HB HIS 5 -9.015 -4.152 -10.535 189 HD1 HIS 5 HD1 HIS 5 -9.084 -1.435 -10.119 190 HD2 HIS 5 HD2 HIS 5 -12.413 -3.167 -12.020 191 HE1 HIS 5 HE1 HIS 5 -11.022 0.221 -9.880 192 HE2 HIS 5 HE2 HIS 5 -13.050 -0.825 -11.006 193 H LEU 6 H LEU 6 -6.348 -3.811 -11.396 194 HA LEU 6 HA LEU 6 -5.771 -6.587 -12.326 195 HB2 LEU 6 1HB LEU 6 -3.836 -4.288 -11.966 196 HB3 LEU 6 2HB LEU 6 -3.390 -5.954 -12.213 197 HG LEU 6 HG LEU 6 -2.934 -5.034 -14.235 198 HD11 LEU 6 1HD1 LEU 6 -4.602 -5.751 -15.956 199 HD12 LEU 6 2HD1 LEU 6 -5.867 -5.754 -14.734 200 HD13 LEU 6 3HD1 LEU 6 -4.546 -6.931 -14.657 201 HD21 LEU 6 3HD2 LEU 6 -5.303 -3.247 -13.928 202 HD22 LEU 6 1HD2 LEU 6 -4.392 -3.383 -15.472 203 HD23 LEU 6 2HD2 LEU 6 -3.558 -2.802 -13.965 204 H CYS 7 H CYS 7 -5.639 -8.006 -10.531 205 HA CYS 7 HA CYS 7 -4.690 -6.793 -7.941 206 HB2 CYS 7 1HB CYS 7 -6.782 -8.957 -8.328 207 HB3 CYS 7 2HB CYS 7 -6.232 -8.268 -6.773 208 H GLY 8 H GLY 8 -3.406 -8.229 -6.653 209 HA2 GLY 8 1HA GLY 8 -1.960 -10.093 -6.326 210 HA3 GLY 8 2HA GLY 8 -3.129 -11.052 -7.250 211 H SER 9 H SER 9 -1.702 -12.210 -8.477 212 HA SER 9 HA SER 9 0.586 -11.250 -9.829 213 HB2 SER 9 1HB SER 9 -1.218 -13.441 -10.868 214 HB3 SER 9 2HB SER 9 0.535 -13.349 -10.897 215 HG SER 9 HG SER 9 0.488 -14.329 -9.002 216 H HIS 10 H HIS 10 -2.628 -10.336 -10.688 217 HA HIS 10 HA HIS 10 -2.118 -10.300 -13.527 218 HB2 HIS 10 1HB HIS 10 -4.108 -8.929 -11.785 219 HB3 HIS 10 2HB HIS 10 -3.920 -8.483 -13.480 220 HD1 HIS 10 HD1 HIS 10 -6.301 -9.381 -14.081 221 HD2 HIS 10 HD2 HIS 10 -3.546 -12.269 -12.815 222 HE1 HIS 10 HE1 HIS 10 -7.275 -11.684 -14.696 223 HE2 HIS 10 HE2 HIS 10 -5.560 -13.405 -13.937 224 H LEU 11 H LEU 11 -0.955 -8.362 -10.901 225 HA LEU 11 HA LEU 11 -0.494 -6.009 -12.499 226 HB2 LEU 11 1HB LEU 11 0.550 -7.157 -9.957 227 HB3 LEU 11 2HB LEU 11 1.659 -6.103 -10.804 228 HG LEU 11 HG LEU 11 0.442 -5.024 -8.946 229 HD11 LEU 11 1HD1 LEU 11 -0.237 -3.726 -11.644 230 HD12 LEU 11 2HD1 LEU 11 1.276 -3.591 -10.778 231 HD13 LEU 11 3HD1 LEU 11 -0.173 -2.919 -10.109 232 HD21 LEU 11 3HD2 LEU 11 -1.656 -6.182 -9.143 233 HD22 LEU 11 1HD2 LEU 11 -2.022 -5.291 -10.612 234 HD23 LEU 11 2HD2 LEU 11 -1.848 -4.442 -9.059 235 H VAL 12 H VAL 12 1.587 -8.778 -11.618 236 HA VAL 12 HA VAL 12 3.750 -7.775 -13.143 237 HB VAL 12 HB VAL 12 4.811 -10.022 -12.869 238 HG11 VAL 12 1HG1 VAL 12 3.511 -9.130 -10.224 239 HG12 VAL 12 2HG1 VAL 12 5.157 -9.826 -10.443 240 HG13 VAL 12 3HG1 VAL 12 4.782 -8.182 -11.037 241 HG21 VAL 12 3HG2 VAL 12 2.176 -10.731 -11.590 242 HG22 VAL 12 1HG2 VAL 12 2.915 -11.516 -13.031 243 HG23 VAL 12 2HG2 VAL 12 3.667 -11.726 -11.448 244 H GLU 13 H GLU 13 1.067 -9.865 -13.897 245 HA GLU 13 HA GLU 13 2.011 -10.703 -16.461 246 HB2 GLU 13 1HB GLU 13 -0.717 -10.311 -15.238 247 HB3 GLU 13 2HB GLU 13 -0.489 -10.864 -16.906 248 HG2 GLU 13 1HG GLU 13 0.669 -12.789 -16.130 249 HG3 GLU 13 2HG GLU 13 0.695 -12.189 -14.462 250 HE2 GLU 13 HE2 GLU 13 -1.880 -14.620 -15.144 251 H ALA 14 H ALA 14 -0.011 -7.860 -15.445 252 HA ALA 14 HA ALA 14 -0.436 -6.863 -18.104 253 HB1 ALA 14 3HB ALA 14 -1.642 -6.073 -16.057 254 HB2 ALA 14 1HB ALA 14 -0.136 -5.319 -15.475 255 HB3 ALA 14 2HB ALA 14 -0.930 -4.741 -16.966 256 H LEU 15 H LEU 15 2.158 -6.298 -15.769 257 HA LEU 15 HA LEU 15 3.496 -4.317 -17.296 258 HB2 LEU 15 1HB LEU 15 4.439 -6.157 -15.103 259 HB3 LEU 15 2HB LEU 15 5.399 -4.823 -15.782 260 HG LEU 15 HG LEU 15 2.779 -4.485 -14.316 261 HD11 LEU 15 1HD1 LEU 15 5.596 -3.702 -13.406 262 HD12 LEU 15 2HD1 LEU 15 4.871 -5.284 -13.019 263 HD13 LEU 15 3HD1 LEU 15 4.107 -3.796 -12.436 264 HD21 LEU 15 3HD2 LEU 15 3.057 -2.790 -15.965 265 HD22 LEU 15 1HD2 LEU 15 4.767 -2.548 -15.508 266 HD23 LEU 15 2HD2 LEU 15 3.467 -2.092 -14.388 267 H TYR 16 H TYR 16 3.823 -7.766 -17.039 268 HA TYR 16 HA TYR 16 6.114 -7.989 -18.739 269 HB2 TYR 16 1HB TYR 16 5.611 -9.889 -17.475 270 HB3 TYR 16 2HB TYR 16 3.941 -9.869 -17.949 271 HD1 TYR 16 HD2 TYR 16 7.393 -10.441 -19.310 272 HD2 TYR 16 HD1 TYR 16 3.160 -11.018 -19.855 273 HE1 TYR 16 HE2 TYR 16 7.838 -12.007 -21.235 274 HE2 TYR 16 HE1 TYR 16 3.610 -12.569 -21.723 275 HH TYR 16 HH TYR 16 6.862 -13.330 -22.938 276 H LEU 17 H LEU 17 2.556 -7.919 -19.453 277 HA LEU 17 HA LEU 17 3.147 -8.236 -22.262 278 HB2 LEU 17 1HB LEU 17 0.696 -7.171 -20.823 279 HB3 LEU 17 2HB LEU 17 0.781 -7.498 -22.553 280 HG LEU 17 HG LEU 17 1.361 -9.728 -20.551 281 HD11 LEU 17 1HD1 LEU 17 -0.931 -8.806 -20.039 282 HD12 LEU 17 2HD1 LEU 17 -1.027 -10.390 -20.821 283 HD13 LEU 17 3HD1 LEU 17 -1.389 -8.926 -21.762 284 HD21 LEU 17 3HD2 LEU 17 0.653 -9.485 -23.511 285 HD22 LEU 17 1HD2 LEU 17 0.408 -10.975 -22.600 286 HD23 LEU 17 2HD2 LEU 17 2.025 -10.318 -22.744 287 H VAL 18 H VAL 18 2.771 -5.324 -20.194 288 HA VAL 18 HA VAL 18 2.440 -3.690 -22.522 289 HB VAL 18 HB VAL 18 1.484 -3.176 -20.222 290 HG11 VAL 18 1HG1 VAL 18 4.179 -1.922 -19.703 291 HG12 VAL 18 2HG1 VAL 18 2.813 -2.111 -18.609 292 HG13 VAL 18 3HG1 VAL 18 3.758 -3.512 -19.072 293 HG21 VAL 18 3HG2 VAL 18 1.494 -1.560 -22.104 294 HG22 VAL 18 1HG2 VAL 18 1.661 -0.747 -20.505 295 HG23 VAL 18 2HG2 VAL 18 3.087 -0.967 -21.555 296 H CYS 19 H CYS 19 5.335 -4.469 -20.515 297 HA CYS 19 HA CYS 19 6.943 -2.687 -22.294 298 HB2 CYS 19 1HB CYS 19 7.538 -3.606 -19.476 299 HB3 CYS 19 2HB CYS 19 8.582 -2.578 -20.466 300 H GLY 20 H GLY 20 6.709 -6.010 -20.930 301 HA2 GLY 20 1HA GLY 20 7.819 -7.873 -21.625 302 HA3 GLY 20 2HA GLY 20 8.117 -6.994 -23.138 303 H GLU 21 H GLU 21 10.198 -6.484 -23.670 304 HA GLU 21 HA GLU 21 12.293 -7.814 -22.269 305 HB2 GLU 21 1HB GLU 21 12.510 -5.543 -24.247 306 HB3 GLU 21 2HB GLU 21 13.773 -6.676 -23.777 307 HG2 GLU 21 1HG GLU 21 13.182 -7.707 -25.687 308 HG3 GLU 21 2HG GLU 21 12.000 -8.480 -24.604 309 HE2 GLU 21 HE2 GLU 21 12.390 -7.187 -27.360 310 H ARG 22 H ARG 22 10.995 -4.575 -22.137 311 HA ARG 22 HA ARG 22 13.131 -3.682 -20.216 312 HB2 ARG 22 1HB ARG 22 10.990 -2.021 -21.636 313 HB3 ARG 22 2HB ARG 22 12.274 -1.392 -20.622 314 HG2 ARG 22 1HG ARG 22 12.679 -2.815 -23.288 315 HG3 ARG 22 2HG ARG 22 12.790 -1.074 -22.968 316 HD2 ARG 22 1HD ARG 22 14.542 -3.197 -21.703 317 HD3 ARG 22 2HD ARG 22 15.013 -2.192 -23.059 318 HE ARG 22 HE ARG 22 14.078 -0.438 -21.010 319 HH11 ARG 22 1HH1 ARG 22 16.772 -2.647 -21.641 320 HH12 ARG 22 2HH1 ARG 22 17.879 -1.764 -20.636 321 HH21 ARG 22 1HH2 ARG 22 15.549 0.665 -19.720 322 HH22 ARG 22 2HH2 ARG 22 17.182 0.102 -19.532 323 H GLY 23 H GLY 23 11.212 -5.630 -19.460 324 HA2 GLY 23 1HA GLY 23 8.983 -4.633 -18.026 325 HA3 GLY 23 2HA GLY 23 9.867 -6.119 -17.713 326 H PHE 24 H PHE 24 8.967 -5.480 -15.632 327 HA PHE 24 HA PHE 24 10.134 -3.269 -14.166 328 HB2 PHE 24 1HB PHE 24 8.538 -3.946 -12.437 329 HB3 PHE 24 2HB PHE 24 7.740 -3.900 -14.035 330 HD1 PHE 24 HD2 PHE 24 7.099 -6.043 -15.222 331 HD2 PHE 24 HD1 PHE 24 8.776 -6.033 -11.221 332 HE1 PHE 24 HE2 PHE 24 6.439 -8.421 -14.960 333 HE2 PHE 24 HE1 PHE 24 8.015 -8.367 -10.912 334 HZ PHE 24 HZ PHE 24 6.883 -9.570 -12.709 335 H PHE 25 H PHE 25 10.787 -3.924 -11.774 336 HA PHE 25 HA PHE 25 12.524 -6.384 -11.835 337 HB2 PHE 25 1HB PHE 25 13.999 -4.433 -12.418 338 HB3 PHE 25 2HB PHE 25 13.329 -3.627 -10.959 339 HD1 PHE 25 HD1 PHE 25 15.090 -6.848 -11.885 340 HD2 PHE 25 HD2 PHE 25 14.549 -3.679 -8.943 341 HE1 PHE 25 HE1 PHE 25 16.964 -7.733 -10.566 342 HE2 PHE 25 HE2 PHE 25 16.408 -4.691 -7.602 343 HZ PHE 25 HZ PHE 25 17.548 -6.689 -8.342 344 H NVA 26 H ARX 26 11.555 -7.521 -10.395 345 HA NVA 26 HA ARX 26 10.657 -6.294 -7.853 346 HB2 NVA 26 1HB ARX 26 8.970 -7.972 -7.586 347 HB3 NVA 26 2HB ARX 26 8.930 -7.482 -9.223 348 HG2 NVA 26 1HG ARX 26 10.242 -10.018 -8.105 349 HG3 NVA 26 2HG ARX 26 8.682 -10.007 -8.833 350 HD2 NVA 26 1HD ARX 26 9.585 -9.739 -11.005 351 HD3 NVA 26 2HD ARX 26 11.168 -9.250 -10.484 352 H THR 27 H THR 27 13.272 -6.624 -8.035 353 HA THR 27 HA THR 27 15.177 -7.247 -6.999 354 HB THR 27 HB THR 27 15.255 -8.136 -4.826 355 HG1 THR 27 HG1 THR 27 12.860 -9.408 -5.460 356 HG21 THR 27 1HG2 THR 27 13.869 -6.017 -5.033 357 HG22 THR 27 2HG2 THR 27 13.727 -6.932 -3.534 358 HG23 THR 27 3HG2 THR 27 12.459 -7.057 -4.767 359 HA PRO 28 HA PRO 28 16.092 -10.659 -9.241 360 HB2 PRO 28 1HB PRO 28 17.825 -12.337 -7.895 361 HB3 PRO 28 2HB PRO 28 18.351 -10.748 -8.555 362 HG2 PRO 28 1HG PRO 28 17.389 -11.433 -5.774 363 HG3 PRO 28 2HG PRO 28 18.908 -10.558 -6.331 364 HD2 PRO 28 1HD PRO 28 16.717 -9.187 -5.498 365 HD3 PRO 28 2HD PRO 28 17.627 -8.642 -6.909 366 H HIX 29 H HIX 29 15.152 -12.387 -9.882 367 HA HIX 29 HA HIX 29 13.243 -13.876 -8.260 368 HB1 HIX 29 1HB HIX 29 13.831 -13.773 -11.288 369 HB2 HIX 29 2HB HIX 29 12.803 -14.986 -10.530 370 HD2 HIX 29 HD2 HIX 29 12.960 -10.977 -9.944 371 HD1 HIX 29 HD1 HIX 29 10.301 -14.185 -10.828 372 H THR 30 H THR 30 13.716 -15.552 -7.184 373 HA THR 30 HA THR 30 15.381 -17.633 -8.146 374 HB THR 30 HB THR 30 16.133 -16.482 -5.417 375 HG1 THR 30 HG1 THR 30 17.184 -15.916 -8.009 376 HG21 THR 30 1HG2 THR 30 18.267 -17.767 -5.591 377 HG22 THR 30 2HG2 THR 30 17.741 -18.340 -7.192 378 HG23 THR 30 3HG2 THR 30 16.797 -18.864 -5.769 379 HXT THR 30 H02 THR 30 13.761 -16.439 -5.614 Start of MODEL 25 1 H1 GLY 1 2H0 GLY 1 1.145 -1.732 0.056 2 H2 GLY 1 1H0 GLY 1 0.306 -0.418 -0.385 3 HA2 GLY 1 1HA GLY 1 2.248 -0.178 -1.603 4 HA3 GLY 1 2HA GLY 1 2.129 -1.867 -2.139 5 H ILE 2 H ILE 2 2.518 -0.789 -4.282 6 HA ILE 2 HA ILE 2 0.304 0.615 -5.396 7 HB ILE 2 HB ILE 2 2.766 0.511 -6.179 8 HG12 ILE 2 1HG1 ILE 2 2.006 0.889 -8.620 9 HG13 ILE 2 2HG1 ILE 2 0.376 0.660 -8.003 10 HG21 ILE 2 1HG2 ILE 2 2.820 -2.012 -6.512 11 HG22 ILE 2 2HG2 ILE 2 1.692 -1.828 -7.843 12 HG23 ILE 2 3HG2 ILE 2 3.322 -1.111 -7.943 13 HD11 ILE 2 3HD1 ILE 2 0.977 3.070 -8.128 14 HD12 ILE 2 1HD1 ILE 2 0.680 2.591 -6.441 15 HD13 ILE 2 2HD1 ILE 2 2.368 2.786 -7.053 16 H VAL 3 H VAL 3 0.785 -2.744 -4.765 17 HA VAL 3 HA VAL 3 -0.791 -3.800 -6.856 18 HB VAL 3 HB VAL 3 -0.476 -4.816 -3.975 19 HG11 VAL 3 1HG1 VAL 3 -1.097 -7.087 -4.972 20 HG12 VAL 3 2HG1 VAL 3 -2.425 -5.964 -4.928 21 HG13 VAL 3 3HG1 VAL 3 -1.605 -6.253 -6.463 22 HG21 VAL 3 3HG2 VAL 3 1.053 -5.516 -6.537 23 HG22 VAL 3 1HG2 VAL 3 1.681 -4.678 -5.038 24 HG23 VAL 3 2HG2 VAL 3 1.170 -6.416 -4.973 25 H GLU 4 H GLU 4 -1.807 -2.787 -3.603 26 HA GLU 4 HA GLU 4 -4.554 -3.590 -4.096 27 HB2 GLU 4 1HB GLU 4 -5.112 -2.593 -1.995 28 HB3 GLU 4 2HB GLU 4 -3.671 -3.618 -1.848 29 HG2 GLU 4 1HG GLU 4 -2.247 -1.602 -1.952 30 HG3 GLU 4 2HG GLU 4 -3.698 -0.598 -1.941 31 HE2 GLU 4 HE2 GLU 4 -1.974 -0.246 -0.153 32 H GLN 5 H GLN 5 -2.652 -0.663 -4.448 33 HA GLN 5 HA GLN 5 -4.891 1.028 -4.963 34 HB2 GLN 5 1HB GLN 5 -2.040 1.148 -6.002 35 HB3 GLN 5 2HB GLN 5 -3.217 2.459 -6.120 36 HG2 GLN 5 1HG GLN 5 -3.340 2.698 -3.683 37 HG3 GLN 5 2HG GLN 5 -2.139 1.372 -3.469 38 HE21 GLN 5 2HE2 GLN 5 -0.241 2.234 -2.882 39 HE22 GLN 5 1HE2 GLN 5 0.471 3.674 -3.585 40 H CYS 6 H CYS 6 -2.917 -0.953 -7.239 41 HA CYS 6 HA CYS 6 -4.560 -0.096 -9.484 42 HB2 CYS 6 1HB CYS 6 -2.712 -2.445 -9.292 43 HB3 CYS 6 2HB CYS 6 -3.413 -1.823 -10.769 44 H CYS 7 H CYS 7 -5.063 -2.341 -6.891 45 HA CYS 7 HA CYS 7 -6.964 -3.863 -8.588 46 HB2 CYS 7 1HB CYS 7 -5.498 -4.838 -6.734 47 HB3 CYS 7 2HB CYS 7 -6.654 -4.115 -5.619 48 H THR 8 H THR 8 -7.077 -1.428 -5.926 49 HA THR 8 HA THR 8 -10.013 -1.556 -5.924 50 HB THR 8 HB THR 8 -8.732 -1.066 -3.871 51 HG1 THR 8 HG1 THR 8 -10.416 -0.010 -3.198 52 HG21 THR 8 1HG2 THR 8 -7.112 0.548 -4.988 53 HG22 THR 8 2HG2 THR 8 -7.833 1.100 -3.475 54 HG23 THR 8 3HG2 THR 8 -8.433 1.729 -5.021 55 H SER 9 H SER 9 -7.658 0.346 -7.649 56 HA SER 9 HA SER 9 -9.812 1.726 -9.105 57 HB2 SER 9 1HB SER 9 -8.519 3.214 -7.433 58 HB3 SER 9 2HB SER 9 -7.095 2.993 -8.483 59 HG SER 9 HG SER 9 -8.056 4.772 -9.168 60 H ILE 10 H ILE 10 -8.435 2.690 -11.115 61 HA ILE 10 HA ILE 10 -7.093 0.246 -12.168 62 HB ILE 10 HB ILE 10 -8.640 2.403 -13.654 63 HG12 ILE 10 1HG1 ILE 10 -9.195 -0.471 -12.971 64 HG13 ILE 10 2HG1 ILE 10 -10.113 0.896 -12.374 65 HG21 ILE 10 1HG2 ILE 10 -8.243 0.979 -15.642 66 HG22 ILE 10 2HG2 ILE 10 -6.769 1.584 -14.987 67 HG23 ILE 10 3HG2 ILE 10 -7.234 -0.081 -14.675 68 HD11 ILE 10 3HD1 ILE 10 -11.503 -0.037 -14.052 69 HD12 ILE 10 1HD1 ILE 10 -10.710 1.352 -14.873 70 HD13 ILE 10 2HD1 ILE 10 -10.147 -0.335 -15.138 71 H CYS 11 H CYS 11 -5.107 0.289 -12.808 72 HA CYS 11 HA CYS 11 -3.728 2.935 -12.948 73 HB2 CYS 11 1HB CYS 11 -2.628 0.109 -12.721 74 HB3 CYS 11 2HB CYS 11 -1.685 1.590 -12.868 75 H SER 12 H SER 12 -3.963 3.663 -14.954 76 HA SER 12 HA SER 12 -4.518 2.187 -17.335 77 HB2 SER 12 1HB SER 12 -3.313 4.960 -17.007 78 HB3 SER 12 2HB SER 12 -4.111 4.281 -18.460 79 HG SER 12 HG SER 12 -5.207 5.549 -16.474 80 H LEU 13 H LEU 13 -3.290 2.391 -19.374 81 HA LEU 13 HA LEU 13 -1.062 0.819 -19.464 82 HB2 LEU 13 1HB LEU 13 -2.307 1.189 -21.367 83 HB3 LEU 13 2HB LEU 13 -2.268 2.927 -21.190 84 HG LEU 13 HG LEU 13 0.097 2.929 -21.896 85 HD11 LEU 13 1HD1 LEU 13 -0.522 0.063 -22.781 86 HD12 LEU 13 2HD1 LEU 13 0.578 0.474 -21.459 87 HD13 LEU 13 3HD1 LEU 13 0.993 0.963 -23.121 88 HD21 LEU 13 3HD2 LEU 13 -0.500 2.760 -24.281 89 HD22 LEU 13 1HD2 LEU 13 -1.869 3.466 -23.407 90 HD23 LEU 13 2HD2 LEU 13 -1.908 1.750 -23.888 91 H TYR 14 H TYR 14 -1.110 4.413 -19.298 92 HA TYR 14 HA TYR 14 1.706 4.743 -19.677 93 HB2 TYR 14 1HB TYR 14 0.282 6.823 -18.150 94 HB3 TYR 14 2HB TYR 14 1.279 6.961 -19.596 95 HD1 TYR 14 HD1 TYR 14 0.195 6.215 -21.880 96 HD2 TYR 14 HD2 TYR 14 -2.139 6.806 -18.298 97 HE1 TYR 14 HE1 TYR 14 -1.985 6.314 -23.238 98 HE2 TYR 14 HE2 TYR 14 -4.215 6.883 -19.643 99 HH TYR 14 HH TYR 14 -5.125 6.883 -21.664 100 H GLN 15 H GLN 15 -0.331 4.369 -16.827 101 HA GLN 15 HA GLN 15 1.680 5.031 -14.910 102 HB2 GLN 15 1HB GLN 15 -0.777 3.273 -14.575 103 HB3 GLN 15 2HB GLN 15 0.143 4.140 -13.305 104 HG2 GLN 15 1HG GLN 15 -0.551 6.280 -14.398 105 HG3 GLN 15 2HG GLN 15 -1.518 5.354 -15.565 106 HE21 GLN 15 2HE2 GLN 15 -0.992 5.573 -12.002 107 HE22 GLN 15 1HE2 GLN 15 -2.711 5.471 -11.642 108 H LEU 16 H LEU 16 0.553 1.941 -16.376 109 HA LEU 16 HA LEU 16 2.402 0.297 -14.971 110 HB2 LEU 16 1HB LEU 16 1.256 0.057 -17.755 111 HB3 LEU 16 2HB LEU 16 2.103 -1.259 -16.933 112 HG LEU 16 HG LEU 16 -0.537 -0.057 -16.064 113 HD11 LEU 16 1HD1 LEU 16 0.109 -2.586 -17.583 114 HD12 LEU 16 2HD1 LEU 16 -0.632 -1.109 -18.243 115 HD13 LEU 16 3HD1 LEU 16 -1.541 -2.077 -17.020 116 HD21 LEU 16 3HD2 LEU 16 0.639 -1.084 -14.206 117 HD22 LEU 16 1HD2 LEU 16 0.875 -2.569 -15.146 118 HD23 LEU 16 2HD2 LEU 16 -0.775 -2.085 -14.695 119 H GLU 17 H GLU 17 2.751 2.113 -18.082 120 HA GLU 17 HA GLU 17 5.453 1.194 -18.506 121 HB2 GLU 17 1HB GLU 17 3.983 3.729 -19.276 122 HB3 GLU 17 2HB GLU 17 5.639 3.384 -19.791 123 HG2 GLU 17 1HG GLU 17 4.872 1.391 -21.048 124 HG3 GLU 17 2HG GLU 17 3.257 1.614 -20.407 125 HE2 GLU 17 HE2 GLU 17 5.123 2.085 -22.822 126 H ASN 18 H ASN 18 4.074 3.753 -16.392 127 HA ASN 18 HA ASN 18 6.668 4.981 -15.837 128 HB2 ASN 18 1HB ASN 18 4.076 4.995 -14.262 129 HB3 ASN 18 2HB ASN 18 5.482 5.932 -13.897 130 HD21 ASN 18 2HD2 ASN 18 2.919 7.004 -14.379 131 HD22 ASN 18 1HD2 ASN 18 3.017 8.012 -15.846 132 H TYR 19 H TYR 19 5.082 2.004 -14.765 133 HA TYR 19 HA TYR 19 6.740 1.931 -12.294 134 HB2 TYR 19 1HB TYR 19 5.149 -0.272 -13.589 135 HB3 TYR 19 2HB TYR 19 5.847 -0.335 -11.978 136 HD1 TYR 19 HD2 TYR 19 5.057 2.602 -11.162 137 HD2 TYR 19 HD1 TYR 19 2.851 -0.600 -13.062 138 HE1 TYR 19 HE2 TYR 19 2.919 3.594 -10.435 139 HE2 TYR 19 HE1 TYR 19 0.740 0.423 -12.335 140 HH TYR 19 HH TYR 19 0.704 3.373 -10.290 141 H CYS 20 H CYS 20 6.965 0.933 -15.634 142 HA CYS 20 HA CYS 20 9.311 -0.834 -15.265 143 HB2 CYS 20 1HB CYS 20 7.529 -1.298 -17.006 144 HB3 CYS 20 2HB CYS 20 7.853 0.322 -17.676 145 H ASN 21 H ASN 21 11.122 -0.045 -16.999 146 HA ASN 21 HA ASN 21 12.326 2.429 -16.245 147 HB2 ASN 21 1HB ASN 21 13.591 0.733 -17.431 148 HB3 ASN 21 2HB ASN 21 12.561 0.760 -18.829 149 HD21 ASN 21 2HD2 ASN 21 12.749 2.370 -20.349 150 HD22 ASN 21 1HD2 ASN 21 14.015 3.521 -20.357 151 HXT ASN 21 H02 ASN 21 10.582 4.759 -18.000 152 H1 PHE 1 2H0 PHE 1 -4.273 -1.477 -26.305 153 H2 PHE 1 1H0 PHE 1 -5.809 -2.023 -26.460 154 HA PHE 1 HA PHE 1 -4.865 -2.596 -24.298 155 HB2 PHE 1 1HB PHE 1 -3.118 -0.816 -24.502 156 HB3 PHE 1 2HB PHE 1 -4.431 0.402 -24.206 157 HD1 PHE 1 HD1 PHE 1 -5.552 0.445 -21.938 158 HD2 PHE 1 HD2 PHE 1 -2.124 -2.019 -22.716 159 HE1 PHE 1 HE1 PHE 1 -5.227 0.161 -19.477 160 HE2 PHE 1 HE2 PHE 1 -1.804 -2.255 -20.369 161 HZ PHE 1 HZ PHE 1 -3.290 -1.174 -18.694 162 H VAL 2 H VAL 2 -6.162 -2.886 -22.686 163 HA VAL 2 HA VAL 2 -8.755 -1.266 -22.631 164 HB VAL 2 HB VAL 2 -8.302 -4.186 -21.855 165 HG11 VAL 2 1HG1 VAL 2 -10.749 -2.396 -21.916 166 HG12 VAL 2 2HG1 VAL 2 -10.872 -4.176 -21.976 167 HG13 VAL 2 3HG1 VAL 2 -10.137 -3.415 -20.590 168 HG21 VAL 2 3HG2 VAL 2 -8.182 -3.666 -24.411 169 HG22 VAL 2 1HG2 VAL 2 -9.348 -4.859 -23.898 170 HG23 VAL 2 2HG2 VAL 2 -9.853 -3.212 -24.316 171 H ASN 3 H ASN 3 -8.817 -0.054 -20.904 172 HA ASN 3 HA ASN 3 -7.193 -0.514 -18.580 173 HB2 ASN 3 1HB ASN 3 -9.632 1.130 -19.211 174 HB3 ASN 3 2HB ASN 3 -9.007 1.016 -17.558 175 HD21 ASN 3 2HD2 ASN 3 -9.068 3.148 -19.855 176 HD22 ASN 3 1HD2 ASN 3 -7.441 3.757 -19.848 177 H GLN 4 H GLN 4 -7.550 -1.727 -16.797 178 HA GLN 4 HA GLN 4 -10.227 -2.678 -16.009 179 HB2 GLN 4 1HB GLN 4 -9.792 -5.061 -16.347 180 HB3 GLN 4 2HB GLN 4 -9.580 -4.298 -17.911 181 HG2 GLN 4 1HG GLN 4 -7.097 -4.096 -17.385 182 HG3 GLN 4 2HG GLN 4 -7.416 -5.210 -16.044 183 HE21 GLN 4 2HE2 GLN 4 -7.551 -4.801 -19.577 184 HE22 GLN 4 1HE2 GLN 4 -7.422 -6.507 -19.907 185 H HIS 5 H HIS 5 -9.949 -3.838 -13.941 186 HA HIS 5 HA HIS 5 -7.852 -2.585 -12.329 187 HB2 HIS 5 1HB HIS 5 -9.911 -4.719 -11.732 188 HB3 HIS 5 2HB HIS 5 -8.833 -4.071 -10.532 189 HD1 HIS 5 HD1 HIS 5 -9.018 -1.411 -10.005 190 HD2 HIS 5 HD2 HIS 5 -12.156 -3.120 -12.211 191 HE1 HIS 5 HE1 HIS 5 -10.971 0.142 -9.795 192 HE2 HIS 5 HE2 HIS 5 -12.856 -0.818 -11.284 193 H LEU 6 H LEU 6 -6.081 -3.473 -11.333 194 HA LEU 6 HA LEU 6 -5.407 -6.172 -12.338 195 HB2 LEU 6 1HB LEU 6 -3.484 -4.018 -11.576 196 HB3 LEU 6 2HB LEU 6 -3.060 -5.595 -12.123 197 HG LEU 6 HG LEU 6 -2.500 -4.222 -13.903 198 HD11 LEU 6 1HD1 LEU 6 -4.184 -4.498 -15.751 199 HD12 LEU 6 2HD1 LEU 6 -5.301 -5.212 -14.559 200 HD13 LEU 6 3HD1 LEU 6 -3.708 -6.005 -14.930 201 HD21 LEU 6 3HD2 LEU 6 -5.128 -2.776 -13.622 202 HD22 LEU 6 1HD2 LEU 6 -3.793 -2.399 -14.733 203 HD23 LEU 6 2HD2 LEU 6 -3.574 -2.240 -12.976 204 H CYS 7 H CYS 7 -5.602 -7.578 -10.635 205 HA CYS 7 HA CYS 7 -4.696 -6.658 -7.940 206 HB2 CYS 7 1HB CYS 7 -6.916 -8.238 -8.732 207 HB3 CYS 7 2HB CYS 7 -5.790 -9.339 -7.894 208 H GLY 8 H GLY 8 -3.725 -8.985 -6.787 209 HA2 GLY 8 1HA GLY 8 -1.143 -8.782 -7.244 210 HA3 GLY 8 2HA GLY 8 -1.810 -10.318 -6.720 211 H SER 9 H SER 9 -2.631 -11.655 -8.838 212 HA SER 9 HA SER 9 -0.260 -12.153 -10.358 213 HB2 SER 9 1HB SER 9 -3.092 -13.173 -10.923 214 HB3 SER 9 2HB SER 9 -1.573 -13.930 -11.437 215 HG SER 9 HG SER 9 -1.417 -14.883 -9.544 216 H HIS 10 H HIS 10 -3.152 -10.159 -10.976 217 HA HIS 10 HA HIS 10 -2.861 -10.209 -13.826 218 HB2 HIS 10 1HB HIS 10 -4.543 -8.880 -11.844 219 HB3 HIS 10 2HB HIS 10 -4.258 -7.866 -13.259 220 HD1 HIS 10 HD1 HIS 10 -5.499 -8.454 -15.402 221 HD2 HIS 10 HD2 HIS 10 -5.735 -11.524 -12.566 222 HE1 HIS 10 HE1 HIS 10 -7.163 -10.146 -16.324 223 HE2 HIS 10 HE2 HIS 10 -7.343 -11.944 -14.501 224 H LEU 11 H LEU 11 -1.501 -8.241 -11.272 225 HA LEU 11 HA LEU 11 -0.651 -6.050 -12.879 226 HB2 LEU 11 1HB LEU 11 -0.228 -7.064 -10.175 227 HB3 LEU 11 2HB LEU 11 1.182 -6.203 -10.781 228 HG LEU 11 HG LEU 11 -1.155 -4.593 -11.306 229 HD11 LEU 11 1HD1 LEU 11 -0.726 -5.568 -8.465 230 HD12 LEU 11 2HD1 LEU 11 -2.187 -5.794 -9.431 231 HD13 LEU 11 3HD1 LEU 11 -1.727 -4.199 -8.924 232 HD21 LEU 11 3HD2 LEU 11 0.141 -3.017 -9.989 233 HD22 LEU 11 1HD2 LEU 11 1.207 -3.891 -11.125 234 HD23 LEU 11 2HD2 LEU 11 1.207 -4.331 -9.429 235 H VAL 12 H VAL 12 1.215 -8.957 -11.640 236 HA VAL 12 HA VAL 12 3.597 -8.278 -12.996 237 HB VAL 12 HB VAL 12 3.711 -10.063 -11.360 238 HG11 VAL 12 1HG1 VAL 12 1.460 -11.009 -11.587 239 HG12 VAL 12 2HG1 VAL 12 1.937 -11.740 -13.137 240 HG13 VAL 12 3HG1 VAL 12 2.684 -12.260 -11.610 241 HG21 VAL 12 3HG2 VAL 12 5.012 -11.763 -12.471 242 HG22 VAL 12 1HG2 VAL 12 4.176 -11.414 -14.048 243 HG23 VAL 12 2HG2 VAL 12 5.308 -10.219 -13.331 244 H GLU 13 H GLU 13 0.775 -10.042 -14.193 245 HA GLU 13 HA GLU 13 1.937 -10.654 -16.762 246 HB2 GLU 13 1HB GLU 13 -0.765 -10.632 -15.548 247 HB3 GLU 13 2HB GLU 13 -0.641 -10.508 -17.317 248 HG2 GLU 13 1HG GLU 13 0.624 -12.684 -15.727 249 HG3 GLU 13 2HG GLU 13 -0.969 -12.767 -16.530 250 HE2 GLU 13 HE2 GLU 13 2.187 -13.240 -16.834 251 H ALA 14 H ALA 14 0.009 -7.785 -15.584 252 HA ALA 14 HA ALA 14 -0.399 -6.705 -18.192 253 HB1 ALA 14 3HB ALA 14 -0.343 -5.388 -15.470 254 HB2 ALA 14 1HB ALA 14 -0.999 -4.658 -16.984 255 HB3 ALA 14 2HB ALA 14 -1.748 -6.130 -16.268 256 H LEU 15 H LEU 15 2.219 -6.420 -15.718 257 HA LEU 15 HA LEU 15 3.572 -4.299 -17.184 258 HB2 LEU 15 1HB LEU 15 4.471 -6.214 -14.976 259 HB3 LEU 15 2HB LEU 15 5.396 -4.848 -15.550 260 HG LEU 15 HG LEU 15 2.640 -4.527 -14.385 261 HD11 LEU 15 1HD1 LEU 15 4.144 -5.568 -12.742 262 HD12 LEU 15 2HD1 LEU 15 3.684 -3.928 -12.279 263 HD13 LEU 15 3HD1 LEU 15 5.320 -4.229 -12.975 264 HD21 LEU 15 3HD2 LEU 15 3.232 -2.244 -14.125 265 HD22 LEU 15 1HD2 LEU 15 3.393 -2.704 -15.797 266 HD23 LEU 15 2HD2 LEU 15 4.844 -2.527 -14.777 267 H TYR 16 H TYR 16 3.760 -7.856 -17.013 268 HA TYR 16 HA TYR 16 6.079 -8.163 -18.650 269 HB2 TYR 16 1HB TYR 16 5.215 -10.059 -17.432 270 HB3 TYR 16 2HB TYR 16 3.623 -9.849 -18.183 271 HD1 TYR 16 HD2 TYR 16 7.199 -10.442 -19.171 272 HD2 TYR 16 HD1 TYR 16 3.079 -11.365 -19.939 273 HE1 TYR 16 HE2 TYR 16 7.901 -11.972 -21.001 274 HE2 TYR 16 HE1 TYR 16 3.770 -12.894 -21.720 275 HH TYR 16 HH TYR 16 7.159 -13.471 -22.637 276 H LEU 17 H LEU 17 2.569 -7.668 -19.453 277 HA LEU 17 HA LEU 17 3.008 -7.957 -22.323 278 HB2 LEU 17 1HB LEU 17 0.896 -6.705 -20.546 279 HB3 LEU 17 2HB LEU 17 0.804 -6.656 -22.302 280 HG LEU 17 HG LEU 17 1.064 -9.232 -20.761 281 HD11 LEU 17 1HD1 LEU 17 -1.016 -8.320 -19.981 282 HD12 LEU 17 2HD1 LEU 17 -1.465 -9.460 -21.307 283 HD13 LEU 17 3HD1 LEU 17 -1.442 -7.665 -21.591 284 HD21 LEU 17 3HD2 LEU 17 0.106 -10.197 -22.832 285 HD22 LEU 17 1HD2 LEU 17 1.711 -9.486 -23.055 286 HD23 LEU 17 2HD2 LEU 17 0.269 -8.603 -23.598 287 H VAL 18 H VAL 18 3.000 -5.179 -20.066 288 HA VAL 18 HA VAL 18 3.206 -3.385 -22.347 289 HB VAL 18 HB VAL 18 2.314 -3.032 -19.848 290 HG11 VAL 18 1HG1 VAL 18 3.790 -1.397 -18.652 291 HG12 VAL 18 2HG1 VAL 18 4.463 -3.021 -18.708 292 HG13 VAL 18 3HG1 VAL 18 5.065 -1.768 -19.775 293 HG21 VAL 18 3HG2 VAL 18 3.370 -1.023 -21.771 294 HG22 VAL 18 1HG2 VAL 18 1.743 -1.715 -21.672 295 HG23 VAL 18 2HG2 VAL 18 2.323 -0.594 -20.402 296 H CYS 19 H CYS 19 5.731 -4.841 -20.217 297 HA CYS 19 HA CYS 19 7.615 -3.159 -21.926 298 HB2 CYS 19 1HB CYS 19 7.470 -3.643 -19.037 299 HB3 CYS 19 2HB CYS 19 9.072 -3.975 -19.677 300 H GLY 20 H GLY 20 6.699 -6.349 -21.300 301 HA2 GLY 20 1HA GLY 20 7.447 -8.266 -22.319 302 HA3 GLY 20 2HA GLY 20 8.455 -7.257 -23.347 303 H GLU 21 H GLU 21 10.435 -7.829 -23.308 304 HA GLU 21 HA GLU 21 11.504 -9.542 -21.218 305 HB2 GLU 21 1HB GLU 21 12.839 -8.206 -23.591 306 HB3 GLU 21 2HB GLU 21 13.631 -9.355 -22.471 307 HG2 GLU 21 1HG GLU 21 11.858 -11.056 -23.109 308 HG3 GLU 21 2HG GLU 21 11.215 -9.906 -24.271 309 HE2 GLU 21 HE2 GLU 21 13.467 -12.301 -25.866 310 H ARG 22 H ARG 22 11.318 -6.044 -21.500 311 HA ARG 22 HA ARG 22 13.712 -5.557 -19.811 312 HB2 ARG 22 1HB ARG 22 11.383 -3.902 -20.724 313 HB3 ARG 22 2HB ARG 22 12.326 -3.365 -19.319 314 HG2 ARG 22 1HG ARG 22 14.149 -2.952 -20.518 315 HG3 ARG 22 2HG ARG 22 13.781 -4.126 -21.789 316 HD2 ARG 22 1HD ARG 22 11.745 -2.055 -21.665 317 HD3 ARG 22 2HD ARG 22 13.403 -1.395 -21.833 318 HE ARG 22 HE ARG 22 13.149 -3.536 -23.682 319 HH11 ARG 22 1HH1 ARG 22 11.762 -0.364 -23.223 320 HH12 ARG 22 2HH1 ARG 22 11.496 -0.090 -24.884 321 HH21 ARG 22 1HH2 ARG 22 12.745 -3.124 -25.866 322 HH22 ARG 22 2HH2 ARG 22 12.013 -1.643 -26.361 323 H GLY 23 H GLY 23 10.346 -6.498 -19.256 324 HA2 GLY 23 1HA GLY 23 9.301 -7.086 -17.293 325 HA3 GLY 23 2HA GLY 23 10.931 -7.305 -16.626 326 H PHE 24 H PHE 24 10.168 -6.569 -14.570 327 HA PHE 24 HA PHE 24 10.294 -3.662 -14.156 328 HB2 PHE 24 1HB PHE 24 8.172 -3.593 -13.005 329 HB3 PHE 24 2HB PHE 24 7.837 -4.114 -14.652 330 HD1 PHE 24 HD1 PHE 24 7.295 -6.556 -15.014 331 HD2 PHE 24 HD2 PHE 24 7.808 -4.894 -11.059 332 HE1 PHE 24 HE1 PHE 24 6.225 -8.534 -14.076 333 HE2 PHE 24 HE2 PHE 24 6.714 -6.948 -10.064 334 HZ PHE 24 HZ PHE 24 5.951 -8.779 -11.536 335 H PHE 25 H PHE 25 10.262 -3.371 -11.685 336 HA PHE 25 HA PHE 25 11.689 -5.722 -10.470 337 HB2 PHE 25 1HB PHE 25 12.978 -3.588 -10.752 338 HB3 PHE 25 2HB PHE 25 11.821 -2.766 -9.703 339 HD1 PHE 25 HD2 PHE 25 11.829 -3.218 -7.250 340 HD2 PHE 25 HD1 PHE 25 14.642 -5.156 -9.929 341 HE1 PHE 25 HE2 PHE 25 13.166 -3.927 -5.364 342 HE2 PHE 25 HE1 PHE 25 16.071 -5.782 -7.916 343 HZ PHE 25 HZ PHE 25 15.377 -5.189 -5.696 344 H NVA 26 H ARX 26 10.761 -6.806 -8.993 345 HA NVA 26 HA ARX 26 8.694 -5.599 -7.284 346 HB2 NVA 26 1HB ARX 26 8.121 -7.666 -8.692 347 HB3 NVA 26 2HB ARX 26 9.306 -8.524 -7.729 348 HG2 NVA 26 1HG ARX 26 7.990 -7.984 -5.600 349 HG3 NVA 26 2HG ARX 26 6.843 -7.119 -6.629 350 HD2 NVA 26 1HD ARX 26 5.706 -9.076 -7.086 351 HD3 NVA 26 2HD ARX 26 7.166 -9.684 -7.758 352 H THR 27 H THR 27 9.068 -5.575 -5.187 353 HA THR 27 HA THR 27 11.703 -5.677 -4.080 354 HB THR 27 HB THR 27 10.372 -5.386 -1.921 355 HG1 THR 27 HG1 THR 27 8.494 -6.534 -2.971 356 HG21 THR 27 1HG2 THR 27 10.989 -3.355 -3.379 357 HG22 THR 27 2HG2 THR 27 9.580 -3.152 -2.296 358 HG23 THR 27 3HG2 THR 27 9.344 -3.442 -4.024 359 HA PRO 28 HA PRO 28 11.637 -9.945 -3.084 360 HB2 PRO 28 1HB PRO 28 12.433 -10.163 -0.395 361 HB3 PRO 28 2HB PRO 28 13.560 -9.717 -1.786 362 HG2 PRO 28 1HG PRO 28 12.028 -7.828 0.080 363 HG3 PRO 28 2HG PRO 28 13.794 -7.963 -0.243 364 HD2 PRO 28 1HD PRO 28 12.222 -6.207 -1.546 365 HD3 PRO 28 2HD PRO 28 13.545 -7.087 -2.448 366 H HIX 29 H HIX 29 9.842 -11.130 -3.000 367 HA HIX 29 HA HIX 29 7.356 -10.306 -1.898 368 HB1 HIX 29 1HB HIX 29 8.361 -12.954 -3.070 369 HB2 HIX 29 2HB HIX 29 6.755 -12.823 -2.377 370 HD2 HIX 29 HD2 HIX 29 7.822 -9.419 -4.094 371 HD1 HIX 29 HD1 HIX 29 6.182 -13.163 -5.133 372 H THR 30 H THR 30 7.106 -10.021 0.132 373 HA THR 30 HA THR 30 7.418 -12.085 2.191 374 HB THR 30 HB THR 30 8.584 -10.332 3.585 375 HG1 THR 30 HG1 THR 30 9.288 -9.228 1.156 376 HG21 THR 30 1HG2 THR 30 10.347 -11.134 1.215 377 HG22 THR 30 2HG2 THR 30 9.896 -12.208 2.574 378 HG23 THR 30 3HG2 THR 30 10.872 -10.712 2.848 379 HXT THR 30 H02 THR 30 7.101 -8.871 2.182 Start of MODEL 26 1 H1 GLY 1 2H0 GLY 1 -1.162 0.292 -0.349 2 H2 GLY 1 1H0 GLY 1 -0.737 -1.325 -0.196 3 HA2 GLY 1 1HA GLY 1 1.314 0.627 -1.014 4 HA3 GLY 1 2HA GLY 1 1.206 -1.126 -1.256 5 H ILE 2 H ILE 2 2.134 -0.116 -3.399 6 HA ILE 2 HA ILE 2 0.254 1.273 -5.132 7 HB ILE 2 HB ILE 2 2.736 1.272 -5.358 8 HG12 ILE 2 1HG1 ILE 2 2.676 1.218 -7.918 9 HG13 ILE 2 2HG1 ILE 2 0.962 0.709 -7.730 10 HG21 ILE 2 1HG2 ILE 2 4.005 -0.429 -6.428 11 HG22 ILE 2 2HG2 ILE 2 3.083 -1.291 -5.208 12 HG23 ILE 2 3HG2 ILE 2 2.547 -1.362 -6.877 13 HD11 ILE 2 3HD1 ILE 2 0.295 2.800 -6.879 14 HD12 ILE 2 1HD1 ILE 2 1.930 3.222 -6.314 15 HD13 ILE 2 2HD1 ILE 2 1.538 3.272 -8.050 16 H VAL 3 H VAL 3 0.869 -2.193 -4.663 17 HA VAL 3 HA VAL 3 -0.806 -3.142 -6.865 18 HB VAL 3 HB VAL 3 -0.099 -4.272 -4.101 19 HG11 VAL 3 1HG1 VAL 3 -2.260 -5.281 -4.878 20 HG12 VAL 3 2HG1 VAL 3 -1.558 -5.627 -6.433 21 HG13 VAL 3 3HG1 VAL 3 -0.948 -6.453 -5.024 22 HG21 VAL 3 3HG2 VAL 3 0.867 -4.917 -6.914 23 HG22 VAL 3 1HG2 VAL 3 1.771 -3.997 -5.684 24 HG23 VAL 3 2HG2 VAL 3 1.395 -5.693 -5.420 25 H GLU 4 H GLU 4 -1.636 -2.261 -3.486 26 HA GLU 4 HA GLU 4 -4.342 -3.092 -3.638 27 HB2 GLU 4 1HB GLU 4 -2.972 -2.678 -1.539 28 HB3 GLU 4 2HB GLU 4 -3.122 -0.949 -1.851 29 HG2 GLU 4 1HG GLU 4 -5.574 -1.038 -1.520 30 HG3 GLU 4 2HG GLU 4 -5.482 -2.765 -1.266 31 HE2 GLU 4 HE2 GLU 4 -6.259 -0.593 0.281 32 H GLN 5 H GLN 5 -2.619 -0.053 -4.214 33 HA GLN 5 HA GLN 5 -4.958 1.475 -4.859 34 HB2 GLN 5 1HB GLN 5 -2.274 2.003 -4.772 35 HB3 GLN 5 2HB GLN 5 -2.589 1.998 -6.544 36 HG2 GLN 5 1HG GLN 5 -2.812 4.299 -5.533 37 HG3 GLN 5 2HG GLN 5 -4.382 3.703 -6.169 38 HE21 GLN 5 2HE2 GLN 5 -2.465 3.654 -3.123 39 HE22 GLN 5 1HE2 GLN 5 -3.865 3.933 -2.126 40 H CYS 6 H CYS 6 -2.879 -0.444 -7.042 41 HA CYS 6 HA CYS 6 -4.438 0.089 -9.363 42 HB2 CYS 6 1HB CYS 6 -2.012 -0.782 -8.990 43 HB3 CYS 6 2HB CYS 6 -2.740 -2.384 -9.011 44 H CYS 7 H CYS 7 -4.941 -2.049 -6.743 45 HA CYS 7 HA CYS 7 -6.737 -3.865 -8.153 46 HB2 CYS 7 1HB CYS 7 -5.268 -4.504 -6.274 47 HB3 CYS 7 2HB CYS 7 -6.269 -3.516 -5.202 48 H THR 8 H THR 8 -7.092 -1.124 -5.866 49 HA THR 8 HA THR 8 -10.042 -1.407 -5.896 50 HB THR 8 HB THR 8 -8.641 -0.876 -3.881 51 HG1 THR 8 HG1 THR 8 -10.870 0.473 -4.756 52 HG21 THR 8 1HG2 THR 8 -7.131 0.872 -5.055 53 HG22 THR 8 2HG2 THR 8 -7.804 1.383 -3.478 54 HG23 THR 8 3HG2 THR 8 -8.538 1.980 -4.989 55 H SER 9 H SER 9 -7.694 0.359 -7.685 56 HA SER 9 HA SER 9 -9.907 1.956 -8.926 57 HB2 SER 9 1HB SER 9 -8.364 3.716 -9.322 58 HB3 SER 9 2HB SER 9 -8.310 3.317 -7.584 59 HG SER 9 HG SER 9 -6.413 2.135 -7.997 60 H ILE 10 H ILE 10 -8.773 2.694 -11.261 61 HA ILE 10 HA ILE 10 -7.923 0.066 -12.375 62 HB ILE 10 HB ILE 10 -9.586 2.310 -13.528 63 HG12 ILE 10 1HG1 ILE 10 -10.257 -0.657 -13.173 64 HG13 ILE 10 2HG1 ILE 10 -10.617 0.593 -11.968 65 HG21 ILE 10 1HG2 ILE 10 -9.693 1.106 -15.642 66 HG22 ILE 10 2HG2 ILE 10 -8.041 1.496 -15.267 67 HG23 ILE 10 3HG2 ILE 10 -8.611 -0.150 -14.971 68 HD11 ILE 10 3HD1 ILE 10 -11.948 1.790 -13.659 69 HD12 ILE 10 1HD1 ILE 10 -11.641 0.458 -14.795 70 HD13 ILE 10 2HD1 ILE 10 -12.554 0.187 -13.273 71 H CYS 11 H CYS 11 -5.865 -0.004 -13.066 72 HA CYS 11 HA CYS 11 -4.326 2.476 -13.331 73 HB2 CYS 11 1HB CYS 11 -3.660 -0.437 -13.766 74 HB3 CYS 11 2HB CYS 11 -2.534 0.903 -13.975 75 H SER 12 H SER 12 -3.094 2.948 -15.255 76 HA SER 12 HA SER 12 -4.437 2.249 -17.850 77 HB2 SER 12 1HB SER 12 -2.692 4.644 -17.543 78 HB3 SER 12 2HB SER 12 -4.219 4.437 -18.440 79 HG SER 12 HG SER 12 -5.272 4.386 -16.369 80 H LEU 13 H LEU 13 -2.905 2.500 -19.755 81 HA LEU 13 HA LEU 13 -0.613 0.846 -19.631 82 HB2 LEU 13 1HB LEU 13 -1.376 3.094 -21.513 83 HB3 LEU 13 2HB LEU 13 0.082 2.093 -21.747 84 HG LEU 13 HG LEU 13 -2.729 0.935 -21.696 85 HD11 LEU 13 1HD1 LEU 13 -2.607 2.511 -23.620 86 HD12 LEU 13 2HD1 LEU 13 -2.599 0.834 -24.204 87 HD13 LEU 13 3HD1 LEU 13 -1.101 1.774 -24.124 88 HD21 LEU 13 3HD2 LEU 13 -1.104 -0.763 -21.275 89 HD22 LEU 13 1HD2 LEU 13 0.003 -0.075 -22.453 90 HD23 LEU 13 2HD2 LEU 13 -1.457 -0.894 -22.977 91 H TYR 14 H TYR 14 -0.843 4.397 -19.420 92 HA TYR 14 HA TYR 14 2.001 4.771 -19.385 93 HB2 TYR 14 1HB TYR 14 0.193 6.716 -17.891 94 HB3 TYR 14 2HB TYR 14 1.582 7.028 -18.983 95 HD1 TYR 14 HD2 TYR 14 1.163 6.414 -21.547 96 HD2 TYR 14 HD1 TYR 14 -1.979 6.983 -18.703 97 HE1 TYR 14 HE2 TYR 14 -0.450 6.718 -23.377 98 HE2 TYR 14 HE1 TYR 14 -3.625 7.296 -20.572 99 HH TYR 14 HH TYR 14 -3.832 7.528 -22.996 100 H GLN 15 H GLN 15 -0.409 4.336 -16.806 101 HA GLN 15 HA GLN 15 1.435 4.871 -14.680 102 HB2 GLN 15 1HB GLN 15 -0.985 3.003 -14.658 103 HB3 GLN 15 2HB GLN 15 -0.220 3.748 -13.239 104 HG2 GLN 15 1HG GLN 15 -0.723 5.971 -14.802 105 HG3 GLN 15 2HG GLN 15 -2.129 4.916 -15.145 106 HE21 GLN 15 2HE2 GLN 15 -3.777 5.043 -13.809 107 HE22 GLN 15 1HE2 GLN 15 -3.692 5.594 -12.129 108 H LEU 16 H LEU 16 0.557 1.839 -16.392 109 HA LEU 16 HA LEU 16 2.308 0.236 -14.768 110 HB2 LEU 16 1HB LEU 16 1.416 -0.108 -17.632 111 HB3 LEU 16 2HB LEU 16 2.113 -1.390 -16.689 112 HG LEU 16 HG LEU 16 -0.576 -0.049 -16.021 113 HD11 LEU 16 1HD1 LEU 16 -1.501 -2.082 -17.072 114 HD12 LEU 16 2HD1 LEU 16 0.117 -2.456 -17.707 115 HD13 LEU 16 3HD1 LEU 16 -0.699 -0.973 -18.222 116 HD21 LEU 16 3HD2 LEU 16 -0.970 -1.924 -14.625 117 HD22 LEU 16 1HD2 LEU 16 0.663 -1.391 -14.219 118 HD23 LEU 16 2HD2 LEU 16 0.435 -2.817 -15.262 119 H GLU 17 H GLU 17 2.842 2.173 -17.735 120 HA GLU 17 HA GLU 17 5.567 1.211 -18.133 121 HB2 GLU 17 1HB GLU 17 4.063 3.702 -19.006 122 HB3 GLU 17 2HB GLU 17 5.832 3.578 -19.168 123 HG2 GLU 17 1HG GLU 17 5.272 1.269 -20.381 124 HG3 GLU 17 2HG GLU 17 3.618 1.916 -20.537 125 HE2 GLU 17 HE2 GLU 17 6.590 1.704 -21.741 126 H ASN 18 H ASN 18 4.180 3.558 -15.845 127 HA ASN 18 HA ASN 18 6.807 4.719 -15.208 128 HB2 ASN 18 1HB ASN 18 4.086 4.743 -13.879 129 HB3 ASN 18 2HB ASN 18 5.491 5.272 -13.006 130 HD21 ASN 18 2HD2 ASN 18 3.223 6.006 -15.398 131 HD22 ASN 18 1HD2 ASN 18 3.860 7.582 -15.843 132 H TYR 19 H TYR 19 5.549 1.590 -14.552 133 HA TYR 19 HA TYR 19 7.424 1.230 -12.198 134 HB2 TYR 19 1HB TYR 19 5.583 -0.896 -13.336 135 HB3 TYR 19 2HB TYR 19 6.287 -0.837 -11.726 136 HD1 TYR 19 HD1 TYR 19 5.398 2.138 -10.974 137 HD2 TYR 19 HD2 TYR 19 3.282 -1.153 -12.765 138 HE1 TYR 19 HE1 TYR 19 3.198 3.068 -10.174 139 HE2 TYR 19 HE2 TYR 19 1.121 -0.215 -11.951 140 HH TYR 19 HH TYR 19 1.025 2.812 -10.039 141 H CYS 20 H CYS 20 7.562 1.310 -15.520 142 HA CYS 20 HA CYS 20 9.150 -1.202 -15.902 143 HB2 CYS 20 1HB CYS 20 7.379 0.059 -17.610 144 HB3 CYS 20 2HB CYS 20 8.873 0.886 -18.019 145 H ASN 21 H ASN 21 11.189 -0.866 -17.212 146 HA ASN 21 HA ASN 21 13.016 0.752 -15.752 147 HB2 ASN 21 1HB ASN 21 13.617 -1.353 -17.085 148 HB3 ASN 21 2HB ASN 21 13.497 -0.366 -18.575 149 HD21 ASN 21 2HD2 ASN 21 15.673 -1.615 -16.528 150 HD22 ASN 21 1HD2 ASN 21 16.947 -0.416 -16.686 151 HXT ASN 21 H02 ASN 21 12.756 2.639 -15.779 152 H1 PHE 1 2H0 PHE 1 -4.263 -3.444 -25.736 153 H2 PHE 1 1H0 PHE 1 -5.753 -4.086 -25.894 154 HA PHE 1 HA PHE 1 -4.921 -4.062 -23.593 155 HB2 PHE 1 1HB PHE 1 -3.506 -1.983 -24.162 156 HB3 PHE 1 2HB PHE 1 -5.020 -1.088 -23.868 157 HD1 PHE 1 HD2 PHE 1 -2.425 -3.380 -22.341 158 HD2 PHE 1 HD1 PHE 1 -5.714 -0.667 -21.536 159 HE1 PHE 1 HE2 PHE 1 -1.912 -3.424 -19.921 160 HE2 PHE 1 HE1 PHE 1 -5.168 -0.720 -19.137 161 HZ PHE 1 HZ PHE 1 -3.226 -2.061 -18.385 162 H VAL 2 H VAL 2 -6.244 -4.338 -21.937 163 HA VAL 2 HA VAL 2 -9.006 -3.145 -22.110 164 HB VAL 2 HB VAL 2 -8.056 -5.562 -20.476 165 HG11 VAL 2 1HG1 VAL 2 -9.974 -4.624 -19.340 166 HG12 VAL 2 2HG1 VAL 2 -10.858 -4.437 -20.877 167 HG13 VAL 2 3HG1 VAL 2 -10.549 -6.059 -20.243 168 HG21 VAL 2 3HG2 VAL 2 -8.012 -6.059 -22.900 169 HG22 VAL 2 1HG2 VAL 2 -9.310 -6.977 -22.103 170 HG23 VAL 2 2HG2 VAL 2 -9.718 -5.524 -23.025 171 H ASN 3 H ASN 3 -9.578 -1.655 -20.592 172 HA ASN 3 HA ASN 3 -7.668 -1.116 -18.393 173 HB2 ASN 3 1HB ASN 3 -8.914 0.916 -17.995 174 HB3 ASN 3 2HB ASN 3 -8.491 0.834 -19.720 175 HD21 ASN 3 2HD2 ASN 3 -10.898 1.515 -17.508 176 HD22 ASN 3 1HD2 ASN 3 -12.258 1.381 -18.621 177 H GLN 4 H GLN 4 -7.968 -2.034 -16.496 178 HA GLN 4 HA GLN 4 -10.606 -2.645 -15.412 179 HB2 GLN 4 1HB GLN 4 -10.199 -5.064 -15.223 180 HB3 GLN 4 2HB GLN 4 -10.169 -4.560 -16.913 181 HG2 GLN 4 1HG GLN 4 -7.704 -4.474 -16.776 182 HG3 GLN 4 2HG GLN 4 -7.818 -5.126 -15.129 183 HE21 GLN 4 2HE2 GLN 4 -9.190 -7.249 -15.019 184 HE22 GLN 4 1HE2 GLN 4 -8.775 -8.382 -16.314 185 H HIS 5 H HIS 5 -10.301 -3.810 -13.291 186 HA HIS 5 HA HIS 5 -8.212 -2.528 -11.708 187 HB2 HIS 5 1HB HIS 5 -10.072 -4.862 -11.181 188 HB3 HIS 5 2HB HIS 5 -9.140 -3.978 -9.932 189 HD1 HIS 5 HD1 HIS 5 -9.550 -1.291 -9.797 190 HD2 HIS 5 HD2 HIS 5 -12.687 -3.697 -11.230 191 HE1 HIS 5 HE1 HIS 5 -11.767 0.010 -9.392 192 HE2 HIS 5 HE2 HIS 5 -13.618 -1.454 -10.295 193 H LEU 6 H LEU 6 -6.378 -3.557 -10.792 194 HA LEU 6 HA LEU 6 -5.843 -6.319 -11.970 195 HB2 LEU 6 1HB LEU 6 -3.862 -4.062 -11.669 196 HB3 LEU 6 2HB LEU 6 -3.534 -5.709 -12.222 197 HG LEU 6 HG LEU 6 -5.270 -3.693 -13.690 198 HD11 LEU 6 1HD1 LEU 6 -2.383 -4.512 -14.074 199 HD12 LEU 6 2HD1 LEU 6 -2.958 -2.947 -13.446 200 HD13 LEU 6 3HD1 LEU 6 -3.309 -3.389 -15.114 201 HD21 LEU 6 3HD2 LEU 6 -4.941 -5.196 -15.648 202 HD22 LEU 6 1HD2 LEU 6 -5.784 -6.037 -14.338 203 HD23 LEU 6 2HD2 LEU 6 -4.071 -6.348 -14.644 204 H CYS 7 H CYS 7 -5.375 -7.736 -10.463 205 HA CYS 7 HA CYS 7 -4.261 -6.881 -7.906 206 HB2 CYS 7 1HB CYS 7 -6.913 -7.151 -8.258 207 HB3 CYS 7 2HB CYS 7 -6.531 -8.804 -7.715 208 H GLY 8 H GLY 8 -3.333 -8.722 -6.663 209 HA2 GLY 8 1HA GLY 8 -2.093 -10.793 -6.660 210 HA3 GLY 8 2HA GLY 8 -3.413 -11.370 -7.732 211 H SER 9 H SER 9 -2.059 -12.463 -9.218 212 HA SER 9 HA SER 9 0.230 -11.273 -10.232 213 HB2 SER 9 1HB SER 9 -1.416 -13.481 -11.493 214 HB3 SER 9 2HB SER 9 0.351 -13.223 -11.647 215 HG SER 9 HG SER 9 0.324 -14.652 -9.989 216 H HIS 10 H HIS 10 -2.878 -10.308 -10.999 217 HA HIS 10 HA HIS 10 -2.741 -10.246 -13.846 218 HB2 HIS 10 1HB HIS 10 -4.242 -8.576 -11.845 219 HB3 HIS 10 2HB HIS 10 -4.344 -8.299 -13.566 220 HD1 HIS 10 HD1 HIS 10 -6.275 -9.374 -14.701 221 HD2 HIS 10 HD2 HIS 10 -4.954 -11.482 -11.334 222 HE1 HIS 10 HE1 HIS 10 -7.847 -11.442 -14.406 223 HE2 HIS 10 HE2 HIS 10 -7.033 -12.671 -12.343 224 H LEU 11 H LEU 11 -1.255 -8.251 -11.295 225 HA LEU 11 HA LEU 11 -0.782 -5.875 -12.833 226 HB2 LEU 11 1HB LEU 11 0.038 -6.947 -10.229 227 HB3 LEU 11 2HB LEU 11 1.161 -5.818 -10.958 228 HG LEU 11 HG LEU 11 -1.422 -4.634 -11.112 229 HD11 LEU 11 1HD1 LEU 11 -1.975 -4.482 -8.817 230 HD12 LEU 11 2HD1 LEU 11 -0.741 -5.681 -8.439 231 HD13 LEU 11 3HD1 LEU 11 -2.155 -6.099 -9.417 232 HD21 LEU 11 3HD2 LEU 11 0.932 -3.963 -9.288 233 HD22 LEU 11 1HD2 LEU 11 -0.307 -2.849 -9.912 234 HD23 LEU 11 2HD2 LEU 11 0.858 -3.525 -11.007 235 H VAL 12 H VAL 12 1.273 -8.580 -11.892 236 HA VAL 12 HA VAL 12 3.511 -7.621 -13.407 237 HB VAL 12 HB VAL 12 4.513 -9.789 -12.890 238 HG11 VAL 12 1HG1 VAL 12 4.835 -9.435 -10.621 239 HG12 VAL 12 2HG1 VAL 12 4.510 -7.824 -11.282 240 HG13 VAL 12 3HG1 VAL 12 3.215 -8.707 -10.406 241 HG21 VAL 12 3HG2 VAL 12 1.948 -10.485 -11.465 242 HG22 VAL 12 1HG2 VAL 12 2.540 -11.236 -12.971 243 HG23 VAL 12 2HG2 VAL 12 3.455 -11.382 -11.463 244 H GLU 13 H GLU 13 0.792 -9.696 -14.208 245 HA GLU 13 HA GLU 13 1.989 -10.536 -16.756 246 HB2 GLU 13 1HB GLU 13 -0.845 -10.437 -15.616 247 HB3 GLU 13 2HB GLU 13 -0.569 -10.767 -17.331 248 HG2 GLU 13 1HG GLU 13 0.678 -12.406 -15.075 249 HG3 GLU 13 2HG GLU 13 -0.836 -12.849 -15.902 250 HE2 GLU 13 HE2 GLU 13 0.626 -13.899 -18.755 251 H ALA 14 H ALA 14 -0.014 -7.669 -15.740 252 HA ALA 14 HA ALA 14 -0.378 -6.711 -18.403 253 HB1 ALA 14 3HB ALA 14 -0.378 -5.215 -15.716 254 HB2 ALA 14 1HB ALA 14 -0.900 -4.510 -17.250 255 HB3 ALA 14 2HB ALA 14 -1.787 -5.888 -16.539 256 H LEU 15 H LEU 15 2.011 -6.204 -15.862 257 HA LEU 15 HA LEU 15 3.617 -4.294 -17.258 258 HB2 LEU 15 1HB LEU 15 4.303 -6.240 -15.045 259 HB3 LEU 15 2HB LEU 15 5.405 -4.996 -15.687 260 HG LEU 15 HG LEU 15 2.730 -4.414 -14.456 261 HD11 LEU 15 1HD1 LEU 15 4.143 -5.532 -12.744 262 HD12 LEU 15 2HD1 LEU 15 4.079 -3.820 -12.377 263 HD13 LEU 15 3HD1 LEU 15 5.496 -4.495 -13.155 264 HD21 LEU 15 3HD2 LEU 15 3.865 -2.721 -16.036 265 HD22 LEU 15 1HD2 LEU 15 5.048 -2.566 -14.753 266 HD23 LEU 15 2HD2 LEU 15 3.371 -2.189 -14.441 267 H TYR 16 H TYR 16 3.797 -7.903 -17.083 268 HA TYR 16 HA TYR 16 6.226 -8.159 -18.571 269 HB2 TYR 16 1HB TYR 16 5.208 -10.124 -17.453 270 HB3 TYR 16 2HB TYR 16 3.711 -9.969 -18.396 271 HD1 TYR 16 HD2 TYR 16 7.385 -10.537 -18.956 272 HD2 TYR 16 HD1 TYR 16 3.424 -11.167 -20.369 273 HE1 TYR 16 HE2 TYR 16 8.253 -11.975 -20.847 274 HE2 TYR 16 HE1 TYR 16 4.291 -12.543 -22.201 275 HH TYR 16 HH TYR 16 7.679 -13.306 -22.655 276 H LEU 17 H LEU 17 2.861 -7.936 -19.593 277 HA LEU 17 HA LEU 17 3.495 -8.158 -22.454 278 HB2 LEU 17 1HB LEU 17 1.110 -6.971 -21.044 279 HB3 LEU 17 2HB LEU 17 1.249 -7.190 -22.755 280 HG LEU 17 HG LEU 17 1.323 -9.425 -20.728 281 HD11 LEU 17 1HD1 LEU 17 -0.936 -8.276 -22.375 282 HD12 LEU 17 2HD1 LEU 17 -0.813 -8.406 -20.612 283 HD13 LEU 17 3HD1 LEU 17 -0.985 -9.872 -21.594 284 HD21 LEU 17 3HD2 LEU 17 1.016 -9.538 -23.751 285 HD22 LEU 17 1HD2 LEU 17 0.960 -10.909 -22.618 286 HD23 LEU 17 2HD2 LEU 17 2.472 -10.008 -22.829 287 H VAL 18 H VAL 18 3.053 -5.268 -20.262 288 HA VAL 18 HA VAL 18 3.203 -3.510 -22.551 289 HB VAL 18 HB VAL 18 2.094 -2.997 -20.222 290 HG11 VAL 18 1HG1 VAL 18 3.262 -2.097 -18.468 291 HG12 VAL 18 2HG1 VAL 18 4.494 -3.242 -19.040 292 HG13 VAL 18 3HG1 VAL 18 4.607 -1.520 -19.480 293 HG21 VAL 18 3HG2 VAL 18 3.633 -0.879 -21.808 294 HG22 VAL 18 1HG2 VAL 18 1.948 -1.371 -21.951 295 HG23 VAL 18 2HG2 VAL 18 2.519 -0.485 -20.531 296 H CYS 19 H CYS 19 5.575 -4.804 -20.360 297 HA CYS 19 HA CYS 19 7.679 -2.961 -21.315 298 HB2 CYS 19 1HB CYS 19 7.562 -5.106 -19.176 299 HB3 CYS 19 2HB CYS 19 9.029 -4.206 -19.588 300 H GLY 20 H GLY 20 7.380 -6.562 -20.974 301 HA2 GLY 20 1HA GLY 20 8.109 -8.183 -22.416 302 HA3 GLY 20 2HA GLY 20 8.598 -6.965 -23.626 303 H GLU 21 H GLU 21 9.377 -8.540 -20.559 304 HA GLU 21 HA GLU 21 11.246 -9.055 -19.415 305 HB2 GLU 21 1HB GLU 21 12.791 -8.490 -21.927 306 HB3 GLU 21 2HB GLU 21 13.286 -9.479 -20.540 307 HG2 GLU 21 1HG GLU 21 11.485 -11.122 -21.055 308 HG3 GLU 21 2HG GLU 21 10.920 -10.144 -22.405 309 HE2 GLU 21 HE2 GLU 21 13.758 -10.928 -24.262 310 H ARG 22 H ARG 22 11.360 -5.860 -20.930 311 HA ARG 22 HA ARG 22 13.590 -4.987 -19.260 312 HB2 ARG 22 1HB ARG 22 13.405 -2.868 -20.412 313 HB3 ARG 22 2HB ARG 22 13.360 -4.179 -21.595 314 HG2 ARG 22 1HG ARG 22 10.737 -3.876 -21.427 315 HG3 ARG 22 2HG ARG 22 11.145 -2.282 -20.837 316 HD2 ARG 22 1HD ARG 22 10.807 -2.114 -23.218 317 HD3 ARG 22 2HD ARG 22 12.539 -1.931 -22.911 318 HE ARG 22 HE ARG 22 12.116 -4.642 -23.304 319 HH11 ARG 22 1HH1 ARG 22 11.344 -1.768 -25.283 320 HH12 ARG 22 2HH1 ARG 22 11.453 -2.694 -26.773 321 HH21 ARG 22 1HH2 ARG 22 12.228 -5.677 -25.257 322 HH22 ARG 22 2HH2 ARG 22 11.823 -4.893 -26.766 323 H GLY 23 H GLY 23 11.201 -5.844 -17.799 324 HA2 GLY 23 1HA GLY 23 10.397 -3.188 -16.676 325 HA3 GLY 23 2HA GLY 23 9.304 -4.582 -16.851 326 H PHE 24 H PHE 24 8.712 -4.781 -14.749 327 HA PHE 24 HA PHE 24 10.218 -4.558 -12.438 328 HB2 PHE 24 1HB PHE 24 8.373 -5.752 -11.464 329 HB3 PHE 24 2HB PHE 24 7.748 -4.719 -12.793 330 HD1 PHE 24 HD2 PHE 24 7.455 -5.858 -15.147 331 HD2 PHE 24 HD1 PHE 24 8.018 -7.992 -11.421 332 HE1 PHE 24 HE2 PHE 24 6.388 -7.905 -16.119 333 HE2 PHE 24 HE1 PHE 24 6.982 -10.095 -12.470 334 HZ PHE 24 HZ PHE 24 6.187 -10.012 -14.800 335 H PHE 25 H PHE 25 10.435 -6.365 -10.851 336 HA PHE 25 HA PHE 25 11.548 -8.903 -11.915 337 HB2 PHE 25 1HB PHE 25 13.384 -7.281 -11.062 338 HB3 PHE 25 2HB PHE 25 12.593 -7.446 -9.458 339 HD1 PHE 25 HD1 PHE 25 12.500 -9.725 -8.394 340 HD2 PHE 25 HD2 PHE 25 14.836 -8.866 -11.901 341 HE1 PHE 25 HE1 PHE 25 13.840 -11.861 -8.014 342 HE2 PHE 25 HE2 PHE 25 16.064 -10.976 -11.588 343 HZ PHE 25 HZ PHE 25 15.615 -12.522 -9.615 344 H NVA 26 H ARX 26 10.586 -10.542 -11.100 345 HA NVA 26 HA ARX 26 9.159 -10.461 -8.464 346 HB2 NVA 26 1HB ARX 26 7.663 -10.347 -10.508 347 HB3 NVA 26 2HB ARX 26 8.221 -11.981 -10.972 348 HG2 NVA 26 1HG ARX 26 7.393 -12.917 -8.670 349 HG3 NVA 26 2HG ARX 26 6.760 -11.230 -8.338 350 HD2 NVA 26 1HD ARX 26 4.788 -11.906 -9.216 351 HD3 NVA 26 2HD ARX 26 5.607 -11.627 -10.779 352 H THR 27 H THR 27 9.363 -12.126 -7.184 353 HA THR 27 HA THR 27 11.661 -13.936 -7.478 354 HB THR 27 HB THR 27 10.724 -14.822 -5.246 355 HG1 THR 27 HG1 THR 27 8.500 -14.246 -5.791 356 HG21 THR 27 1HG2 THR 27 12.304 -12.796 -5.448 357 HG22 THR 27 2HG2 THR 27 11.357 -12.902 -3.959 358 HG23 THR 27 3HG2 THR 27 10.847 -11.757 -5.204 359 HA PRO 28 HA PRO 28 9.678 -17.148 -9.606 360 HB2 PRO 28 1HB PRO 28 10.235 -18.979 -7.247 361 HB3 PRO 28 2HB PRO 28 10.458 -19.328 -9.021 362 HG2 PRO 28 1HG PRO 28 12.529 -18.668 -7.407 363 HG3 PRO 28 2HG PRO 28 12.379 -17.996 -9.099 364 HD2 PRO 28 1HD PRO 28 11.778 -16.718 -6.365 365 HD3 PRO 28 2HD PRO 28 12.574 -16.014 -7.804 366 H HIX 29 H HIX 29 7.596 -17.580 -10.013 367 HA HIX 29 HA HIX 29 5.558 -17.041 -8.051 368 HB1 HIX 29 1HB HIX 29 5.489 -17.806 -11.036 369 HB2 HIX 29 2HB HIX 29 3.976 -17.690 -10.001 370 HD2 HIX 29 HD2 HIX 29 6.242 -14.857 -8.717 371 HD1 HIX 29 HD1 HIX 29 3.847 -15.507 -12.130 372 H THR 30 H THR 30 5.128 -18.446 -6.548 373 HA THR 30 HA THR 30 4.331 -21.242 -7.163 374 HB THR 30 HB THR 30 6.271 -20.883 -4.748 375 HG1 THR 30 HG1 THR 30 7.922 -21.088 -6.077 376 HG21 THR 30 1HG2 THR 30 6.785 -23.293 -5.403 377 HG22 THR 30 2HG2 THR 30 5.609 -23.178 -6.705 378 HG23 THR 30 3HG2 THR 30 5.066 -23.072 -4.983 379 HXT THR 30 H02 THR 30 2.720 -19.934 -6.776 Start of MODEL 27 1 H1 GLY 1 2H0 GLY 1 0.656 1.628 -0.785 2 H2 GLY 1 1H0 GLY 1 1.425 0.644 0.200 3 HA2 GLY 1 1HA GLY 1 1.249 -1.219 -1.501 4 HA3 GLY 1 2HA GLY 1 -0.333 -0.742 -0.892 5 H ILE 2 H ILE 2 1.859 -0.719 -3.696 6 HA ILE 2 HA ILE 2 -0.120 0.595 -5.344 7 HB ILE 2 HB ILE 2 2.364 0.620 -5.813 8 HG12 ILE 2 1HG1 ILE 2 2.053 0.689 -8.281 9 HG13 ILE 2 2HG1 ILE 2 0.401 0.059 -8.064 10 HG21 ILE 2 1HG2 ILE 2 2.585 -1.981 -5.799 11 HG22 ILE 2 2HG2 ILE 2 1.965 -1.895 -7.450 12 HG23 ILE 2 3HG2 ILE 2 3.466 -1.080 -7.013 13 HD11 ILE 2 3HD1 ILE 2 0.351 2.425 -8.398 14 HD12 ILE 2 1HD1 ILE 2 -0.229 2.022 -6.796 15 HD13 ILE 2 2HD1 ILE 2 1.377 2.709 -6.977 16 H VAL 3 H VAL 3 0.230 -2.798 -4.566 17 HA VAL 3 HA VAL 3 -1.296 -3.735 -6.810 18 HB VAL 3 HB VAL 3 -0.894 -4.946 -3.994 19 HG11 VAL 3 1HG1 VAL 3 -2.270 -6.148 -6.495 20 HG12 VAL 3 2HG1 VAL 3 -1.701 -7.106 -5.097 21 HG13 VAL 3 3HG1 VAL 3 -2.996 -5.913 -4.879 22 HG21 VAL 3 3HG2 VAL 3 0.432 -5.513 -6.699 23 HG22 VAL 3 1HG2 VAL 3 1.213 -4.996 -5.174 24 HG23 VAL 3 2HG2 VAL 3 0.494 -6.635 -5.339 25 H GLU 4 H GLU 4 -2.212 -3.093 -3.359 26 HA GLU 4 HA GLU 4 -4.967 -3.646 -3.851 27 HB2 GLU 4 1HB GLU 4 -5.430 -2.439 -1.729 28 HB3 GLU 4 2HB GLU 4 -4.086 -3.544 -1.538 29 HG2 GLU 4 1HG GLU 4 -2.499 -1.696 -1.643 30 HG3 GLU 4 2HG GLU 4 -3.819 -0.553 -1.938 31 HE2 GLU 4 HE2 GLU 4 -2.840 -1.172 1.663 32 H GLN 5 H GLN 5 -2.995 -0.824 -4.465 33 HA GLN 5 HA GLN 5 -5.140 1.030 -4.967 34 HB2 GLN 5 1HB GLN 5 -2.570 1.395 -4.656 35 HB3 GLN 5 2HB GLN 5 -2.519 1.160 -6.408 36 HG2 GLN 5 1HG GLN 5 -2.712 3.601 -6.088 37 HG3 GLN 5 2HG GLN 5 -4.325 3.009 -6.635 38 HE21 GLN 5 2HE2 GLN 5 -4.692 5.263 -5.635 39 HE22 GLN 5 1HE2 GLN 5 -5.152 5.295 -3.994 40 H CYS 6 H CYS 6 -3.377 -1.134 -7.150 41 HA CYS 6 HA CYS 6 -4.936 -0.190 -9.439 42 HB2 CYS 6 1HB CYS 6 -3.142 -2.570 -9.176 43 HB3 CYS 6 2HB CYS 6 -3.976 -2.046 -10.667 44 H CYS 7 H CYS 7 -5.473 -2.216 -6.825 45 HA CYS 7 HA CYS 7 -7.449 -3.956 -8.102 46 HB2 CYS 7 1HB CYS 7 -6.036 -4.541 -6.040 47 HB3 CYS 7 2HB CYS 7 -7.130 -3.487 -5.127 48 H THR 8 H THR 8 -7.577 -1.207 -5.768 49 HA THR 8 HA THR 8 -10.545 -1.109 -5.869 50 HB THR 8 HB THR 8 -9.106 -0.534 -3.877 51 HG1 THR 8 HG1 THR 8 -11.290 0.331 -4.252 52 HG21 THR 8 1HG2 THR 8 -8.615 2.194 -4.989 53 HG22 THR 8 2HG2 THR 8 -7.500 0.886 -5.421 54 HG23 THR 8 3HG2 THR 8 -7.780 1.294 -3.704 55 H SER 9 H SER 9 -7.916 0.394 -7.666 56 HA SER 9 HA SER 9 -9.998 2.012 -9.150 57 HB2 SER 9 1HB SER 9 -7.121 2.842 -8.501 58 HB3 SER 9 2HB SER 9 -8.256 3.743 -9.535 59 HG SER 9 HG SER 9 -9.597 3.371 -7.423 60 H ILE 10 H ILE 10 -8.699 2.653 -11.403 61 HA ILE 10 HA ILE 10 -7.479 0.060 -12.337 62 HB ILE 10 HB ILE 10 -9.140 2.173 -13.922 63 HG12 ILE 10 1HG1 ILE 10 -9.845 -0.751 -13.266 64 HG13 ILE 10 2HG1 ILE 10 -10.481 0.621 -12.392 65 HG21 ILE 10 1HG2 ILE 10 -7.714 -0.332 -14.909 66 HG22 ILE 10 2HG2 ILE 10 -9.037 0.408 -15.802 67 HG23 ILE 10 3HG2 ILE 10 -7.539 1.346 -15.477 68 HD11 ILE 10 3HD1 ILE 10 -11.003 -0.173 -15.263 69 HD12 ILE 10 1HD1 ILE 10 -12.155 -0.152 -13.910 70 HD13 ILE 10 2HD1 ILE 10 -11.525 1.387 -14.607 71 H CYS 11 H CYS 11 -5.308 0.144 -12.847 72 HA CYS 11 HA CYS 11 -4.075 2.825 -12.888 73 HB2 CYS 11 1HB CYS 11 -2.930 0.021 -13.065 74 HB3 CYS 11 2HB CYS 11 -1.959 1.520 -13.038 75 H SER 12 H SER 12 -3.240 3.732 -14.724 76 HA SER 12 HA SER 12 -4.351 2.767 -17.285 77 HB2 SER 12 1HB SER 12 -2.568 5.169 -17.000 78 HB3 SER 12 2HB SER 12 -4.096 4.953 -17.978 79 HG SER 12 HG SER 12 -5.235 4.987 -15.966 80 H LEU 13 H LEU 13 -2.975 2.913 -19.352 81 HA LEU 13 HA LEU 13 -0.885 1.030 -19.226 82 HB2 LEU 13 1HB LEU 13 -1.567 3.156 -21.321 83 HB3 LEU 13 2HB LEU 13 -0.242 2.001 -21.508 84 HG LEU 13 HG LEU 13 -3.084 1.155 -21.130 85 HD11 LEU 13 1HD1 LEU 13 -1.414 1.490 -23.693 86 HD12 LEU 13 2HD1 LEU 13 -2.811 2.473 -23.262 87 HD13 LEU 13 3HD1 LEU 13 -3.012 0.754 -23.619 88 HD21 LEU 13 3HD2 LEU 13 -0.427 -0.187 -21.713 89 HD22 LEU 13 1HD2 LEU 13 -1.901 -0.943 -22.259 90 HD23 LEU 13 2HD2 LEU 13 -1.637 -0.669 -20.512 91 H TYR 14 H TYR 14 -0.629 4.554 -19.255 92 HA TYR 14 HA TYR 14 2.133 4.746 -19.632 93 HB2 TYR 14 1HB TYR 14 0.884 6.869 -18.012 94 HB3 TYR 14 2HB TYR 14 1.886 6.987 -19.503 95 HD1 TYR 14 HD1 TYR 14 0.750 6.643 -21.739 96 HD2 TYR 14 HD2 TYR 14 -1.515 6.706 -18.112 97 HE1 TYR 14 HE1 TYR 14 -1.352 6.985 -23.044 98 HE2 TYR 14 HE2 TYR 14 -3.599 6.888 -19.405 99 HH TYR 14 HH TYR 14 -3.486 7.118 -22.996 100 H GLN 15 H GLN 15 0.096 4.627 -16.739 101 HA GLN 15 HA GLN 15 2.170 5.043 -14.832 102 HB2 GLN 15 1HB GLN 15 -0.402 3.431 -14.562 103 HB3 GLN 15 2HB GLN 15 0.580 3.987 -13.255 104 HG2 GLN 15 1HG GLN 15 0.110 6.364 -14.007 105 HG3 GLN 15 2HG GLN 15 -1.087 5.698 -15.137 106 HE21 GLN 15 2HE2 GLN 15 -0.597 6.892 -11.938 107 HE22 GLN 15 1HE2 GLN 15 -2.131 6.319 -11.310 108 H LEU 16 H LEU 16 0.622 2.216 -16.253 109 HA LEU 16 HA LEU 16 2.111 0.338 -14.659 110 HB2 LEU 16 1HB LEU 16 0.802 0.096 -17.379 111 HB3 LEU 16 2HB LEU 16 1.447 -1.270 -16.533 112 HG LEU 16 HG LEU 16 -0.718 0.500 -15.457 113 HD11 LEU 16 1HD1 LEU 16 -2.258 -1.283 -16.429 114 HD12 LEU 16 2HD1 LEU 16 -0.780 -2.030 -17.094 115 HD13 LEU 16 3HD1 LEU 16 -1.303 -0.462 -17.665 116 HD21 LEU 16 3HD2 LEU 16 0.254 -2.287 -14.848 117 HD22 LEU 16 1HD2 LEU 16 -1.212 -1.545 -14.116 118 HD23 LEU 16 2HD2 LEU 16 0.397 -0.886 -13.764 119 H GLU 17 H GLU 17 2.847 1.525 -18.051 120 HA GLU 17 HA GLU 17 5.246 0.029 -17.986 121 HB2 GLU 17 1HB GLU 17 5.919 1.251 -19.975 122 HB3 GLU 17 2HB GLU 17 4.242 0.698 -20.045 123 HG2 GLU 17 1HG GLU 17 4.064 2.744 -21.035 124 HG3 GLU 17 2HG GLU 17 3.712 3.141 -19.286 125 HE2 GLU 17 HE2 GLU 17 5.928 5.612 -19.574 126 H ASN 18 H ASN 18 4.448 3.082 -16.579 127 HA ASN 18 HA ASN 18 7.169 4.156 -16.419 128 HB2 ASN 18 1HB ASN 18 4.536 4.714 -15.104 129 HB3 ASN 18 2HB ASN 18 5.958 5.248 -14.253 130 HD21 ASN 18 2HD2 ASN 18 3.875 6.702 -15.635 131 HD22 ASN 18 1HD2 ASN 18 4.668 7.784 -16.668 132 H TYR 19 H TYR 19 5.768 1.318 -14.945 133 HA TYR 19 HA TYR 19 7.515 1.542 -12.527 134 HB2 TYR 19 1HB TYR 19 5.798 -0.792 -13.450 135 HB3 TYR 19 2HB TYR 19 6.535 -0.566 -11.871 136 HD1 TYR 19 HD2 TYR 19 5.732 2.492 -11.386 137 HD2 TYR 19 HD1 TYR 19 3.433 -0.905 -12.807 138 HE1 TYR 19 HE2 TYR 19 3.756 3.482 -10.575 139 HE2 TYR 19 HE1 TYR 19 1.449 0.119 -12.037 140 HH TYR 19 HH TYR 19 1.351 3.279 -10.363 141 H CYS 20 H CYS 20 7.637 0.479 -15.715 142 HA CYS 20 HA CYS 20 9.565 -1.651 -15.391 143 HB2 CYS 20 1HB CYS 20 8.765 -0.020 -17.857 144 HB3 CYS 20 2HB CYS 20 9.692 -1.519 -17.865 145 H ASN 21 H ASN 21 11.638 -1.486 -16.500 146 HA ASN 21 HA ASN 21 13.095 0.939 -15.866 147 HB2 ASN 21 1HB ASN 21 14.028 -1.472 -16.156 148 HB3 ASN 21 2HB ASN 21 13.967 -1.247 -17.868 149 HD21 ASN 21 2HD2 ASN 21 16.271 -1.762 -16.311 150 HD22 ASN 21 1HD2 ASN 21 17.291 -0.307 -16.424 151 HXT ASN 21 H02 ASN 21 12.838 2.463 -16.894 152 H1 PHE 1 2H0 PHE 1 -3.912 -3.862 -26.292 153 H2 PHE 1 1H0 PHE 1 -5.550 -3.637 -26.451 154 HA PHE 1 HA PHE 1 -4.890 -4.348 -24.078 155 HB2 PHE 1 1HB PHE 1 -2.915 -2.902 -24.239 156 HB3 PHE 1 2HB PHE 1 -3.939 -1.502 -24.258 157 HD1 PHE 1 HD2 PHE 1 -2.563 -4.320 -22.239 158 HD2 PHE 1 HD1 PHE 1 -4.952 -0.718 -22.076 159 HE1 PHE 1 HE2 PHE 1 -2.403 -4.258 -19.782 160 HE2 PHE 1 HE1 PHE 1 -4.664 -0.647 -19.629 161 HZ PHE 1 HZ PHE 1 -3.431 -2.375 -18.449 162 H VAL 2 H VAL 2 -6.208 -4.062 -22.410 163 HA VAL 2 HA VAL 2 -8.390 -2.050 -22.653 164 HB VAL 2 HB VAL 2 -9.416 -4.155 -23.385 165 HG11 VAL 2 1HG1 VAL 2 -8.501 -5.385 -20.786 166 HG12 VAL 2 2HG1 VAL 2 -9.458 -6.132 -22.066 167 HG13 VAL 2 3HG1 VAL 2 -7.791 -5.684 -22.359 168 HG21 VAL 2 3HG2 VAL 2 -10.785 -2.634 -22.043 169 HG22 VAL 2 1HG2 VAL 2 -11.294 -4.314 -21.867 170 HG23 VAL 2 2HG2 VAL 2 -10.342 -3.494 -20.545 171 H ASN 3 H ASN 3 -8.738 -0.855 -20.948 172 HA ASN 3 HA ASN 3 -7.006 -1.146 -18.669 173 HB2 ASN 3 1HB ASN 3 -9.366 0.589 -19.363 174 HB3 ASN 3 2HB ASN 3 -8.578 0.791 -17.839 175 HD21 ASN 3 2HD2 ASN 3 -6.046 0.885 -18.095 176 HD22 ASN 3 1HD2 ASN 3 -5.459 1.982 -19.312 177 H GLN 4 H GLN 4 -7.410 -2.343 -16.829 178 HA GLN 4 HA GLN 4 -10.145 -3.120 -16.001 179 HB2 GLN 4 1HB GLN 4 -9.431 -5.489 -15.866 180 HB3 GLN 4 2HB GLN 4 -9.465 -4.950 -17.567 181 HG2 GLN 4 1HG GLN 4 -7.015 -4.793 -17.538 182 HG3 GLN 4 2HG GLN 4 -6.989 -5.230 -15.823 183 HE21 GLN 4 2HE2 GLN 4 -8.805 -6.571 -18.624 184 HE22 GLN 4 1HE2 GLN 4 -8.294 -8.231 -18.378 185 H HIS 5 H HIS 5 -10.137 -4.102 -13.795 186 HA HIS 5 HA HIS 5 -8.130 -2.794 -12.061 187 HB2 HIS 5 1HB HIS 5 -10.287 -4.907 -11.576 188 HB3 HIS 5 2HB HIS 5 -9.260 -4.282 -10.289 189 HD1 HIS 5 HD1 HIS 5 -9.470 -1.636 -9.677 190 HD2 HIS 5 HD2 HIS 5 -12.440 -3.262 -12.164 191 HE1 HIS 5 HE1 HIS 5 -11.349 0.017 -9.646 192 HE2 HIS 5 HE2 HIS 5 -13.215 -0.954 -11.136 193 H LEU 6 H LEU 6 -6.405 -3.805 -10.871 194 HA LEU 6 HA LEU 6 -5.727 -6.590 -11.696 195 HB2 LEU 6 1HB LEU 6 -3.821 -4.258 -11.234 196 HB3 LEU 6 2HB LEU 6 -3.371 -5.829 -11.779 197 HG LEU 6 HG LEU 6 -5.058 -3.867 -13.404 198 HD11 LEU 6 1HD1 LEU 6 -2.099 -4.381 -13.588 199 HD12 LEU 6 2HD1 LEU 6 -2.834 -2.902 -12.867 200 HD13 LEU 6 3HD1 LEU 6 -3.055 -3.267 -14.587 201 HD21 LEU 6 3HD2 LEU 6 -4.259 -5.253 -15.322 202 HD22 LEU 6 1HD2 LEU 6 -5.195 -6.240 -14.158 203 HD23 LEU 6 2HD2 LEU 6 -3.401 -6.326 -14.167 204 H CYS 7 H CYS 7 -5.636 -7.860 -9.869 205 HA CYS 7 HA CYS 7 -5.042 -6.386 -7.240 206 HB2 CYS 7 1HB CYS 7 -7.008 -8.657 -7.694 207 HB3 CYS 7 2HB CYS 7 -6.649 -7.874 -6.150 208 H GLY 8 H GLY 8 -2.973 -7.889 -8.767 209 HA2 GLY 8 1HA GLY 8 -1.595 -9.232 -6.865 210 HA3 GLY 8 2HA GLY 8 -2.816 -10.466 -7.284 211 H SER 9 H SER 9 -1.869 -11.974 -8.652 212 HA SER 9 HA SER 9 0.431 -11.337 -10.196 213 HB2 SER 9 1HB SER 9 -1.620 -13.480 -10.675 214 HB3 SER 9 2HB SER 9 -0.020 -13.411 -11.423 215 HG SER 9 HG SER 9 -0.665 -14.315 -9.010 216 H HIS 10 H HIS 10 -2.803 -10.462 -10.973 217 HA HIS 10 HA HIS 10 -2.548 -10.356 -13.851 218 HB2 HIS 10 1HB HIS 10 -4.354 -8.911 -11.859 219 HB3 HIS 10 2HB HIS 10 -4.168 -8.266 -13.484 220 HD1 HIS 10 HD1 HIS 10 -6.468 -8.779 -14.391 221 HD2 HIS 10 HD2 HIS 10 -4.514 -12.143 -12.867 222 HE1 HIS 10 HE1 HIS 10 -7.908 -10.795 -14.953 223 HE2 HIS 10 HE2 HIS 10 -6.713 -12.853 -14.080 224 H LEU 11 H LEU 11 -1.322 -8.339 -11.169 225 HA LEU 11 HA LEU 11 -0.807 -5.994 -12.754 226 HB2 LEU 11 1HB LEU 11 0.219 -7.028 -10.142 227 HB3 LEU 11 2HB LEU 11 1.210 -5.818 -11.004 228 HG LEU 11 HG LEU 11 -1.154 -4.538 -10.948 229 HD11 LEU 11 1HD1 LEU 11 -2.358 -6.148 -9.706 230 HD12 LEU 11 2HD1 LEU 11 -2.106 -4.733 -8.719 231 HD13 LEU 11 3HD1 LEU 11 -1.059 -6.185 -8.473 232 HD21 LEU 11 3HD2 LEU 11 -0.188 -3.350 -9.011 233 HD22 LEU 11 1HD2 LEU 11 0.943 -3.684 -10.317 234 HD23 LEU 11 2HD2 LEU 11 0.982 -4.664 -8.852 235 H VAL 12 H VAL 12 1.396 -8.674 -11.778 236 HA VAL 12 HA VAL 12 3.621 -7.594 -13.239 237 HB VAL 12 HB VAL 12 4.593 -9.781 -12.860 238 HG11 VAL 12 1HG1 VAL 12 4.745 -9.587 -10.431 239 HG12 VAL 12 2HG1 VAL 12 4.625 -7.928 -11.052 240 HG13 VAL 12 3HG1 VAL 12 3.207 -8.729 -10.314 241 HG21 VAL 12 3HG2 VAL 12 2.032 -10.564 -11.376 242 HG22 VAL 12 1HG2 VAL 12 2.357 -11.163 -12.969 243 HG23 VAL 12 2HG2 VAL 12 3.419 -11.526 -11.625 244 H GLU 13 H GLU 13 0.867 -9.672 -14.132 245 HA GLU 13 HA GLU 13 2.099 -10.405 -16.690 246 HB2 GLU 13 1HB GLU 13 -0.595 -10.581 -15.431 247 HB3 GLU 13 2HB GLU 13 -0.540 -10.681 -17.175 248 HG2 GLU 13 1HG GLU 13 1.015 -12.499 -15.263 249 HG3 GLU 13 2HG GLU 13 -0.492 -12.920 -16.147 250 HE2 GLU 13 HE2 GLU 13 2.607 -13.260 -16.044 251 H ALA 14 H ALA 14 0.071 -7.754 -15.592 252 HA ALA 14 HA ALA 14 -0.304 -6.687 -18.262 253 HB1 ALA 14 3HB ALA 14 -1.597 -6.020 -16.295 254 HB2 ALA 14 1HB ALA 14 -0.143 -5.233 -15.617 255 HB3 ALA 14 2HB ALA 14 -0.853 -4.638 -17.103 256 H LEU 15 H LEU 15 2.208 -6.186 -15.745 257 HA LEU 15 HA LEU 15 3.644 -4.209 -17.204 258 HB2 LEU 15 1HB LEU 15 4.627 -6.217 -15.140 259 HB3 LEU 15 2HB LEU 15 5.488 -4.781 -15.718 260 HG LEU 15 HG LEU 15 2.961 -4.875 -14.070 261 HD11 LEU 15 1HD1 LEU 15 5.648 -3.712 -13.374 262 HD12 LEU 15 2HD1 LEU 15 5.187 -5.367 -12.980 263 HD13 LEU 15 3HD1 LEU 15 4.308 -3.971 -12.264 264 HD21 LEU 15 3HD2 LEU 15 2.866 -2.900 -15.632 265 HD22 LEU 15 1HD2 LEU 15 4.436 -2.382 -15.048 266 HD23 LEU 15 2HD2 LEU 15 3.022 -2.412 -13.970 267 H TYR 16 H TYR 16 3.766 -7.739 -17.117 268 HA TYR 16 HA TYR 16 6.149 -7.963 -18.706 269 HB2 TYR 16 1HB TYR 16 5.335 -9.933 -17.429 270 HB3 TYR 16 2HB TYR 16 3.817 -9.910 -18.286 271 HD1 TYR 16 HD1 TYR 16 7.445 -10.611 -18.775 272 HD2 TYR 16 HD2 TYR 16 3.495 -11.006 -20.407 273 HE1 TYR 16 HE1 TYR 16 8.350 -12.088 -20.584 274 HE2 TYR 16 HE2 TYR 16 4.352 -12.500 -22.098 275 HH TYR 16 HH TYR 16 6.130 -13.568 -23.017 276 H LEU 17 H LEU 17 2.676 -7.787 -19.578 277 HA LEU 17 HA LEU 17 3.178 -8.106 -22.439 278 HB2 LEU 17 1HB LEU 17 0.786 -7.104 -20.864 279 HB3 LEU 17 2HB LEU 17 0.794 -7.268 -22.607 280 HG LEU 17 HG LEU 17 1.236 -9.580 -20.671 281 HD11 LEU 17 1HD1 LEU 17 -1.234 -8.636 -22.168 282 HD12 LEU 17 2HD1 LEU 17 -1.024 -8.667 -20.426 283 HD13 LEU 17 3HD1 LEU 17 -1.151 -10.199 -21.349 284 HD21 LEU 17 3HD2 LEU 17 0.661 -10.916 -22.779 285 HD22 LEU 17 1HD2 LEU 17 2.260 -10.079 -22.731 286 HD23 LEU 17 2HD2 LEU 17 0.894 -9.401 -23.664 287 H VAL 18 H VAL 18 2.826 -5.309 -20.213 288 HA VAL 18 HA VAL 18 2.507 -3.509 -22.468 289 HB VAL 18 HB VAL 18 1.527 -3.133 -20.097 290 HG11 VAL 18 1HG1 VAL 18 2.746 -2.319 -18.390 291 HG12 VAL 18 2HG1 VAL 18 4.014 -3.267 -19.137 292 HG13 VAL 18 3HG1 VAL 18 3.985 -1.544 -19.434 293 HG21 VAL 18 3HG2 VAL 18 2.812 -0.852 -21.573 294 HG22 VAL 18 1HG2 VAL 18 1.237 -1.617 -21.877 295 HG23 VAL 18 2HG2 VAL 18 1.475 -0.729 -20.350 296 H CYS 19 H CYS 19 5.285 -4.585 -20.561 297 HA CYS 19 HA CYS 19 7.001 -2.709 -22.109 298 HB2 CYS 19 1HB CYS 19 7.528 -4.146 -19.522 299 HB3 CYS 19 2HB CYS 19 8.661 -3.070 -20.305 300 H GLY 20 H GLY 20 7.065 -6.106 -20.845 301 HA2 GLY 20 1HA GLY 20 7.704 -7.947 -22.111 302 HA3 GLY 20 2HA GLY 20 8.428 -6.905 -23.368 303 H GLU 21 H GLU 21 10.544 -7.422 -23.492 304 HA GLU 21 HA GLU 21 12.009 -8.619 -21.385 305 HB2 GLU 21 1HB GLU 21 13.112 -7.067 -23.725 306 HB3 GLU 21 2HB GLU 21 13.983 -8.260 -22.783 307 HG2 GLU 21 1HG GLU 21 12.597 -10.108 -23.641 308 HG3 GLU 21 2HG GLU 21 11.464 -8.987 -24.392 309 HE2 GLU 21 HE2 GLU 21 14.441 -10.202 -26.514 310 H ARG 22 H ARG 22 11.567 -5.151 -22.087 311 HA ARG 22 HA ARG 22 13.784 -4.501 -20.235 312 HB2 ARG 22 1HB ARG 22 12.061 -2.803 -21.987 313 HB3 ARG 22 2HB ARG 22 13.264 -2.142 -20.887 314 HG2 ARG 22 1HG ARG 22 15.021 -3.462 -22.138 315 HG3 ARG 22 2HG ARG 22 13.784 -4.039 -23.300 316 HD2 ARG 22 1HD ARG 22 14.404 -1.068 -22.881 317 HD3 ARG 22 2HD ARG 22 15.127 -2.094 -24.196 318 HE ARG 22 HE ARG 22 12.348 -2.498 -24.051 319 HH11 ARG 22 1HH1 ARG 22 14.516 0.058 -25.207 320 HH12 ARG 22 2HH1 ARG 22 13.344 0.601 -26.417 321 HH21 ARG 22 1HH2 ARG 22 10.958 -1.793 -25.584 322 HH22 ARG 22 2HH2 ARG 22 11.389 -0.417 -26.594 323 H GLY 23 H GLY 23 11.590 -5.860 -19.190 324 HA2 GLY 23 1HA GLY 23 9.546 -3.971 -18.297 325 HA3 GLY 23 2HA GLY 23 9.698 -5.653 -17.861 326 H PHE 24 H PHE 24 8.994 -5.267 -15.904 327 HA PHE 24 HA PHE 24 10.124 -3.327 -14.030 328 HB2 PHE 24 1HB PHE 24 8.514 -4.207 -12.526 329 HB3 PHE 24 2HB PHE 24 7.763 -4.023 -14.140 330 HD1 PHE 24 HD2 PHE 24 7.332 -6.061 -15.542 331 HD2 PHE 24 HD1 PHE 24 8.711 -6.278 -11.493 332 HE1 PHE 24 HE2 PHE 24 6.525 -8.485 -15.418 333 HE2 PHE 24 HE1 PHE 24 7.851 -8.699 -11.314 334 HZ PHE 24 HZ PHE 24 6.780 -9.726 -13.298 335 H PHE 25 H PHE 25 10.803 -4.012 -11.877 336 HA PHE 25 HA PHE 25 12.305 -6.611 -11.930 337 HB2 PHE 25 1HB PHE 25 13.954 -4.759 -12.140 338 HB3 PHE 25 2HB PHE 25 13.162 -4.056 -10.704 339 HD1 PHE 25 HD2 PHE 25 13.509 -4.863 -8.459 340 HD2 PHE 25 HD1 PHE 25 15.312 -6.908 -11.789 341 HE1 PHE 25 HE2 PHE 25 15.030 -6.165 -6.865 342 HE2 PHE 25 HE1 PHE 25 16.744 -8.188 -10.243 343 HZ PHE 25 HZ PHE 25 16.664 -7.818 -7.790 344 H NVA 26 H ARX 26 11.740 -7.901 -10.446 345 HA NVA 26 HA ARX 26 10.421 -7.018 -7.959 346 HB2 NVA 26 1HB ARX 26 8.978 -8.453 -9.618 347 HB3 NVA 26 2HB ARX 26 10.049 -9.800 -9.177 348 HG2 NVA 26 1HG ARX 26 9.235 -9.322 -6.689 349 HG3 NVA 26 2HG ARX 26 8.100 -8.206 -7.405 350 HD2 NVA 26 1HD ARX 26 6.688 -9.873 -7.899 351 HD3 NVA 26 2HD ARX 26 7.925 -10.750 -8.770 352 H THR 27 H THR 27 11.209 -7.719 -6.093 353 HA THR 27 HA THR 27 13.918 -8.833 -5.913 354 HB THR 27 HB THR 27 13.176 -8.995 -3.451 355 HG1 THR 27 HG1 THR 27 10.817 -8.815 -4.117 356 HG21 THR 27 1HG2 THR 27 13.156 -6.357 -4.999 357 HG22 THR 27 2HG2 THR 27 14.524 -7.129 -4.205 358 HG23 THR 27 3HG2 THR 27 13.238 -6.438 -3.216 359 HA PRO 28 HA PRO 28 12.712 -13.007 -6.273 360 HB2 PRO 28 1HB PRO 28 14.286 -14.437 -4.540 361 HB3 PRO 28 2HB PRO 28 14.898 -13.631 -5.978 362 HG2 PRO 28 1HG PRO 28 14.878 -12.609 -3.133 363 HG3 PRO 28 2HG PRO 28 16.292 -12.709 -4.253 364 HD2 PRO 28 1HD PRO 28 14.870 -10.387 -4.015 365 HD3 PRO 28 2HD PRO 28 15.481 -11.006 -5.662 366 H HIX 29 H HIX 29 10.729 -13.599 -5.745 367 HA HIX 29 HA HIX 29 9.529 -13.561 -3.204 368 HB1 HIX 29 1HB HIX 29 8.593 -15.019 -5.662 369 HB2 HIX 29 2HB HIX 29 7.649 -14.682 -4.227 370 HD2 HIX 29 HD2 HIX 29 8.919 -12.848 -7.477 371 HD1 HIX 29 HD1 HIX 29 6.736 -12.059 -3.970 372 H THR 30 H THR 30 9.611 -14.822 -1.509 373 HA THR 30 HA THR 30 10.198 -17.668 -1.902 374 HB THR 30 HB THR 30 11.708 -17.584 0.070 375 HG1 THR 30 HG1 THR 30 12.666 -15.493 0.572 376 HG21 THR 30 1HG2 THR 30 12.553 -17.325 -2.398 377 HG22 THR 30 2HG2 THR 30 13.661 -16.789 -1.123 378 HG23 THR 30 3HG2 THR 30 12.790 -15.625 -2.016 379 HXT THR 30 H02 THR 30 8.094 -18.255 0.497 Start of MODEL 28 1 H1 GLY 1 2H0 GLY 1 1.736 1.619 -0.846 2 H2 GLY 1 1H0 GLY 1 2.821 0.588 -0.249 3 HA2 GLY 1 1HA GLY 1 2.205 -1.119 -1.768 4 HA3 GLY 1 2HA GLY 1 0.852 -0.492 -0.860 5 H ILE 2 H ILE 2 2.739 0.179 -3.862 6 HA ILE 2 HA ILE 2 0.544 1.340 -5.328 7 HB ILE 2 HB ILE 2 3.104 1.416 -5.805 8 HG12 ILE 2 1HG1 ILE 2 2.586 1.847 -8.246 9 HG13 ILE 2 2HG1 ILE 2 0.943 1.293 -7.967 10 HG21 ILE 2 1HG2 ILE 2 2.394 -0.809 -7.787 11 HG22 ILE 2 2HG2 ILE 2 3.977 -0.053 -7.538 12 HG23 ILE 2 3HG2 ILE 2 3.309 -1.162 -6.314 13 HD11 ILE 2 3HD1 ILE 2 2.292 3.642 -6.484 14 HD12 ILE 2 1HD1 ILE 2 1.370 3.871 -7.999 15 HD13 ILE 2 2HD1 ILE 2 0.533 3.272 -6.537 16 H VAL 3 H VAL 3 1.337 -1.998 -4.833 17 HA VAL 3 HA VAL 3 -0.203 -3.160 -6.886 18 HB VAL 3 HB VAL 3 0.175 -4.030 -3.964 19 HG11 VAL 3 1HG1 VAL 3 -0.343 -6.367 -4.916 20 HG12 VAL 3 2HG1 VAL 3 -1.678 -5.274 -4.696 21 HG13 VAL 3 3HG1 VAL 3 -1.007 -5.550 -6.299 22 HG21 VAL 3 3HG2 VAL 3 1.803 -4.632 -6.440 23 HG22 VAL 3 1HG2 VAL 3 2.319 -3.982 -4.855 24 HG23 VAL 3 2HG2 VAL 3 1.801 -5.655 -4.974 25 H GLU 4 H GLU 4 -1.127 -1.887 -3.663 26 HA GLU 4 HA GLU 4 -3.829 -2.832 -3.825 27 HB2 GLU 4 1HB GLU 4 -2.265 -1.754 -1.846 28 HB3 GLU 4 2HB GLU 4 -3.386 -0.422 -2.161 29 HG2 GLU 4 1HG GLU 4 -5.288 -1.953 -1.743 30 HG3 GLU 4 2HG GLU 4 -4.162 -3.334 -1.485 31 HE2 GLU 4 HE2 GLU 4 -6.030 -1.474 0.086 32 H GLN 5 H GLN 5 -2.188 0.214 -4.764 33 HA GLN 5 HA GLN 5 -4.610 1.645 -5.297 34 HB2 GLN 5 1HB GLN 5 -1.668 2.005 -6.218 35 HB3 GLN 5 2HB GLN 5 -2.963 3.145 -6.678 36 HG2 GLN 5 1HG GLN 5 -3.429 3.426 -4.203 37 HG3 GLN 5 2HG GLN 5 -1.980 2.437 -3.903 38 HE21 GLN 5 2HE2 GLN 5 -3.060 5.447 -5.498 39 HE22 GLN 5 1HE2 GLN 5 -1.555 6.264 -5.314 40 H CYS 6 H CYS 6 -2.410 -0.309 -7.354 41 HA CYS 6 HA CYS 6 -3.825 0.180 -9.818 42 HB2 CYS 6 1HB CYS 6 -1.462 -0.820 -9.236 43 HB3 CYS 6 2HB CYS 6 -2.328 -2.369 -9.161 44 H CYS 7 H CYS 7 -4.572 -1.847 -7.065 45 HA CYS 7 HA CYS 7 -6.390 -3.529 -8.683 46 HB2 CYS 7 1HB CYS 7 -4.838 -4.366 -6.915 47 HB3 CYS 7 2HB CYS 7 -5.782 -3.504 -5.703 48 H THR 8 H THR 8 -6.705 -1.282 -5.817 49 HA THR 8 HA THR 8 -9.562 -1.565 -5.834 50 HB THR 8 HB THR 8 -7.984 -0.959 -3.871 51 HG1 THR 8 HG1 THR 8 -10.202 -0.853 -3.602 52 HG21 THR 8 1HG2 THR 8 -6.871 0.939 -5.114 53 HG22 THR 8 2HG2 THR 8 -7.503 1.318 -3.487 54 HG23 THR 8 3HG2 THR 8 -8.403 1.792 -4.929 55 H SER 9 H SER 9 -7.355 0.476 -7.646 56 HA SER 9 HA SER 9 -9.717 1.898 -8.782 57 HB2 SER 9 1HB SER 9 -7.309 3.292 -9.396 58 HB3 SER 9 2HB SER 9 -8.693 3.816 -8.432 59 HG SER 9 HG SER 9 -6.415 2.443 -7.463 60 H ILE 10 H ILE 10 -8.848 2.709 -11.218 61 HA ILE 10 HA ILE 10 -7.939 0.099 -12.403 62 HB ILE 10 HB ILE 10 -9.568 2.400 -13.636 63 HG12 ILE 10 1HG1 ILE 10 -10.042 -0.606 -13.230 64 HG13 ILE 10 2HG1 ILE 10 -10.774 0.698 -12.310 65 HG21 ILE 10 1HG2 ILE 10 -7.910 1.831 -15.268 66 HG22 ILE 10 2HG2 ILE 10 -8.101 0.081 -14.969 67 HG23 ILE 10 3HG2 ILE 10 -9.403 1.014 -15.728 68 HD11 ILE 10 3HD1 ILE 10 -11.258 0.129 -15.255 69 HD12 ILE 10 1HD1 ILE 10 -12.388 -0.083 -13.913 70 HD13 ILE 10 2HD1 ILE 10 -11.892 1.549 -14.383 71 H CYS 11 H CYS 11 -6.046 -0.116 -13.150 72 HA CYS 11 HA CYS 11 -4.200 2.178 -13.417 73 HB2 CYS 11 1HB CYS 11 -3.987 -0.786 -13.423 74 HB3 CYS 11 2HB CYS 11 -2.870 0.093 -14.452 75 H SER 12 H SER 12 -3.187 2.767 -15.327 76 HA SER 12 HA SER 12 -4.559 2.004 -17.935 77 HB2 SER 12 1HB SER 12 -3.128 4.598 -17.533 78 HB3 SER 12 2HB SER 12 -4.535 4.197 -18.624 79 HG SER 12 HG SER 12 -5.343 5.426 -16.931 80 H LEU 13 H LEU 13 -3.086 2.529 -19.802 81 HA LEU 13 HA LEU 13 -0.823 0.868 -19.631 82 HB2 LEU 13 1HB LEU 13 -1.588 3.125 -21.541 83 HB3 LEU 13 2HB LEU 13 -0.069 2.206 -21.684 84 HG LEU 13 HG LEU 13 -2.736 0.834 -21.782 85 HD11 LEU 13 1HD1 LEU 13 -2.354 2.542 -23.605 86 HD12 LEU 13 2HD1 LEU 13 -2.552 0.868 -24.147 87 HD13 LEU 13 3HD1 LEU 13 -0.889 1.591 -24.066 88 HD21 LEU 13 3HD2 LEU 13 -1.297 -0.972 -22.833 89 HD22 LEU 13 1HD2 LEU 13 -0.766 -0.633 -21.166 90 HD23 LEU 13 2HD2 LEU 13 0.141 0.071 -22.527 91 H TYR 14 H TYR 14 -1.104 4.363 -19.504 92 HA TYR 14 HA TYR 14 1.623 4.890 -19.488 93 HB2 TYR 14 1HB TYR 14 -0.115 6.756 -17.904 94 HB3 TYR 14 2HB TYR 14 1.004 7.077 -19.245 95 HD1 TYR 14 HD1 TYR 14 0.215 6.187 -21.659 96 HD2 TYR 14 HD2 TYR 14 -2.468 6.838 -18.354 97 HE1 TYR 14 HE1 TYR 14 -1.689 6.172 -23.248 98 HE2 TYR 14 HE2 TYR 14 -4.396 6.867 -19.944 99 HH TYR 14 HH TYR 14 -5.075 6.482 -22.155 100 H GLN 15 H GLN 15 -0.708 4.407 -16.818 101 HA GLN 15 HA GLN 15 0.950 5.037 -14.595 102 HB2 GLN 15 1HB GLN 15 -1.338 3.041 -14.787 103 HB3 GLN 15 2HB GLN 15 -0.666 3.687 -13.279 104 HG2 GLN 15 1HG GLN 15 -1.312 5.993 -14.184 105 HG3 GLN 15 2HG GLN 15 -2.250 5.117 -15.388 106 HE21 GLN 15 2HE2 GLN 15 -4.361 4.944 -14.809 107 HE22 GLN 15 1HE2 GLN 15 -4.930 4.746 -13.181 108 H LEU 16 H LEU 16 0.346 1.880 -16.222 109 HA LEU 16 HA LEU 16 2.155 0.368 -14.608 110 HB2 LEU 16 1HB LEU 16 1.379 -0.032 -17.526 111 HB3 LEU 16 2HB LEU 16 2.143 -1.207 -16.498 112 HG LEU 16 HG LEU 16 -0.630 -0.014 -15.938 113 HD11 LEU 16 1HD1 LEU 16 -0.688 -1.080 -18.098 114 HD12 LEU 16 2HD1 LEU 16 -1.422 -2.156 -16.945 115 HD13 LEU 16 3HD1 LEU 16 0.215 -2.504 -17.486 116 HD21 LEU 16 3HD2 LEU 16 -0.858 -2.009 -14.524 117 HD22 LEU 16 1HD2 LEU 16 0.495 -1.027 -14.001 118 HD23 LEU 16 2HD2 LEU 16 0.774 -2.537 -14.912 119 H GLU 17 H GLU 17 2.605 2.196 -17.716 120 HA GLU 17 HA GLU 17 5.295 1.291 -18.189 121 HB2 GLU 17 1HB GLU 17 3.684 3.750 -18.958 122 HB3 GLU 17 2HB GLU 17 5.390 3.600 -19.433 123 HG2 GLU 17 1HG GLU 17 3.597 1.315 -20.110 124 HG3 GLU 17 2HG GLU 17 3.348 2.853 -20.981 125 HE2 GLU 17 HE2 GLU 17 5.777 0.739 -19.998 126 H ASN 18 H ASN 18 3.962 3.728 -16.055 127 HA ASN 18 HA ASN 18 6.406 5.193 -15.597 128 HB2 ASN 18 1HB ASN 18 3.676 5.008 -14.323 129 HB3 ASN 18 2HB ASN 18 5.024 5.723 -13.440 130 HD21 ASN 18 2HD2 ASN 18 2.461 6.722 -14.818 131 HD22 ASN 18 1HD2 ASN 18 2.996 8.089 -15.762 132 H TYR 19 H TYR 19 5.431 1.989 -14.506 133 HA TYR 19 HA TYR 19 7.037 2.291 -12.020 134 HB2 TYR 19 1HB TYR 19 6.003 -0.324 -13.255 135 HB3 TYR 19 2HB TYR 19 6.586 -0.070 -11.612 136 HD1 TYR 19 HD2 TYR 19 5.123 2.547 -10.962 137 HD2 TYR 19 HD1 TYR 19 3.773 -1.050 -12.874 138 HE1 TYR 19 HE2 TYR 19 2.868 3.080 -10.301 139 HE2 TYR 19 HE1 TYR 19 1.444 -0.465 -12.166 140 HH TYR 19 HH TYR 19 0.090 1.015 -10.914 141 H CYS 20 H CYS 20 7.423 1.631 -15.334 142 HA CYS 20 HA CYS 20 9.974 0.151 -15.016 143 HB2 CYS 20 1HB CYS 20 8.424 1.036 -17.527 144 HB3 CYS 20 2HB CYS 20 9.829 -0.027 -17.439 145 H ASN 21 H ASN 21 11.850 1.026 -16.351 146 HA ASN 21 HA ASN 21 12.260 3.858 -15.749 147 HB2 ASN 21 1HB ASN 21 14.137 2.004 -17.232 148 HB3 ASN 21 2HB ASN 21 14.464 3.635 -16.878 149 HD21 ASN 21 2HD2 ASN 21 14.319 4.209 -14.441 150 HD22 ASN 21 1HD2 ASN 21 14.861 3.009 -13.335 151 HXT ASN 21 H02 ASN 21 11.130 5.077 -16.740 152 H1 PHE 1 2H0 PHE 1 -4.831 -2.324 -26.232 153 H2 PHE 1 1H0 PHE 1 -6.399 -2.753 -26.153 154 HA PHE 1 HA PHE 1 -5.352 -3.346 -24.098 155 HB2 PHE 1 1HB PHE 1 -3.710 -1.386 -24.345 156 HB3 PHE 1 2HB PHE 1 -4.971 -0.337 -23.791 157 HD1 PHE 1 HD1 PHE 1 -5.768 -0.391 -21.391 158 HD2 PHE 1 HD2 PHE 1 -2.612 -2.913 -22.782 159 HE1 PHE 1 HE1 PHE 1 -5.211 -0.955 -19.084 160 HE2 PHE 1 HE2 PHE 1 -2.002 -3.460 -20.426 161 HZ PHE 1 HZ PHE 1 -3.349 -2.480 -18.585 162 H VAL 2 H VAL 2 -6.489 -3.534 -22.199 163 HA VAL 2 HA VAL 2 -9.058 -2.012 -22.201 164 HB VAL 2 HB VAL 2 -8.666 -4.818 -21.158 165 HG11 VAL 2 1HG1 VAL 2 -10.413 -3.657 -19.887 166 HG12 VAL 2 2HG1 VAL 2 -11.086 -2.939 -21.372 167 HG13 VAL 2 3HG1 VAL 2 -11.263 -4.690 -21.090 168 HG21 VAL 2 3HG2 VAL 2 -10.136 -5.474 -23.046 169 HG22 VAL 2 1HG2 VAL 2 -10.015 -3.771 -23.656 170 HG23 VAL 2 2HG2 VAL 2 -8.546 -4.793 -23.583 171 H ASN 3 H ASN 3 -9.011 -0.575 -20.614 172 HA ASN 3 HA ASN 3 -7.107 -0.788 -18.446 173 HB2 ASN 3 1HB ASN 3 -8.010 1.355 -17.728 174 HB3 ASN 3 2HB ASN 3 -7.520 1.375 -19.449 175 HD21 ASN 3 2HD2 ASN 3 -10.014 2.038 -17.228 176 HD22 ASN 3 1HD2 ASN 3 -11.320 2.223 -18.429 177 H GLN 4 H GLN 4 -7.390 -1.710 -16.560 178 HA GLN 4 HA GLN 4 -10.152 -2.288 -15.610 179 HB2 GLN 4 1HB GLN 4 -9.805 -4.723 -15.709 180 HB3 GLN 4 2HB GLN 4 -9.644 -3.976 -17.324 181 HG2 GLN 4 1HG GLN 4 -7.140 -4.011 -17.055 182 HG3 GLN 4 2HG GLN 4 -7.352 -4.960 -15.593 183 HE21 GLN 4 2HE2 GLN 4 -7.806 -4.928 -19.110 184 HE22 GLN 4 1HE2 GLN 4 -7.849 -6.704 -19.304 185 H HIS 5 H HIS 5 -9.950 -3.736 -13.602 186 HA HIS 5 HA HIS 5 -7.923 -2.595 -11.851 187 HB2 HIS 5 1HB HIS 5 -10.002 -4.719 -11.297 188 HB3 HIS 5 2HB HIS 5 -8.994 -3.971 -10.057 189 HD1 HIS 5 HD1 HIS 5 -9.330 -1.434 -9.550 190 HD2 HIS 5 HD2 HIS 5 -12.303 -3.174 -11.943 191 HE1 HIS 5 HE1 HIS 5 -11.349 0.085 -9.406 192 HE2 HIS 5 HE2 HIS 5 -13.158 -0.912 -10.893 193 H LEU 6 H LEU 6 -6.087 -3.545 -10.998 194 HA LEU 6 HA LEU 6 -5.536 -6.322 -11.900 195 HB2 LEU 6 1HB LEU 6 -3.585 -4.027 -11.796 196 HB3 LEU 6 2HB LEU 6 -3.226 -5.684 -12.307 197 HG LEU 6 HG LEU 6 -5.189 -3.847 -13.754 198 HD11 LEU 6 1HD1 LEU 6 -3.372 -3.475 -15.411 199 HD12 LEU 6 2HD1 LEU 6 -2.287 -4.447 -14.353 200 HD13 LEU 6 3HD1 LEU 6 -2.945 -2.898 -13.797 201 HD21 LEU 6 3HD2 LEU 6 -5.586 -6.169 -14.297 202 HD22 LEU 6 1HD2 LEU 6 -3.858 -6.420 -14.594 203 HD23 LEU 6 2HD2 LEU 6 -4.782 -5.367 -15.680 204 H CYS 7 H CYS 7 -5.273 -7.651 -10.320 205 HA CYS 7 HA CYS 7 -3.742 -6.860 -7.892 206 HB2 CYS 7 1HB CYS 7 -6.469 -7.912 -8.136 207 HB3 CYS 7 2HB CYS 7 -5.436 -9.020 -7.233 208 H GLY 8 H GLY 8 -2.554 -8.711 -6.993 209 HA2 GLY 8 1HA GLY 8 -0.962 -10.316 -7.453 210 HA3 GLY 8 2HA GLY 8 -2.348 -11.310 -7.766 211 H SER 9 H SER 9 -2.241 -12.483 -9.493 212 HA SER 9 HA SER 9 -0.124 -12.336 -11.291 213 HB2 SER 9 1HB SER 9 -2.762 -13.667 -11.910 214 HB3 SER 9 2HB SER 9 -1.127 -14.255 -12.319 215 HG SER 9 HG SER 9 -1.098 -15.281 -10.534 216 H HIS 10 H HIS 10 -3.248 -10.768 -11.462 217 HA HIS 10 HA HIS 10 -3.222 -10.165 -14.292 218 HB2 HIS 10 1HB HIS 10 -4.701 -9.174 -11.913 219 HB3 HIS 10 2HB HIS 10 -4.588 -7.994 -13.189 220 HD1 HIS 10 HD1 HIS 10 -6.944 -8.035 -13.913 221 HD2 HIS 10 HD2 HIS 10 -5.186 -11.812 -13.946 222 HE1 HIS 10 HE1 HIS 10 -8.554 -9.549 -15.163 223 HE2 HIS 10 HE2 HIS 10 -7.489 -11.838 -15.246 224 H LEU 11 H LEU 11 -1.778 -8.635 -11.509 225 HA LEU 11 HA LEU 11 -1.053 -6.127 -12.865 226 HB2 LEU 11 1HB LEU 11 -1.301 -7.032 -10.266 227 HB3 LEU 11 2HB LEU 11 0.448 -6.970 -10.454 228 HG LEU 11 HG LEU 11 -1.405 -4.645 -11.029 229 HD11 LEU 11 1HD1 LEU 11 0.143 -5.393 -8.591 230 HD12 LEU 11 2HD1 LEU 11 -1.593 -5.219 -8.763 231 HD13 LEU 11 3HD1 LEU 11 -0.560 -3.797 -8.853 232 HD21 LEU 11 3HD2 LEU 11 1.613 -4.865 -10.775 233 HD22 LEU 11 1HD2 LEU 11 0.749 -3.307 -10.648 234 HD23 LEU 11 2HD2 LEU 11 0.685 -4.235 -12.151 235 H VAL 12 H VAL 12 0.953 -8.965 -11.771 236 HA VAL 12 HA VAL 12 3.292 -8.050 -13.200 237 HB VAL 12 HB VAL 12 4.186 -10.330 -12.862 238 HG11 VAL 12 1HG1 VAL 12 2.865 -9.380 -10.292 239 HG12 VAL 12 2HG1 VAL 12 4.442 -10.125 -10.537 240 HG13 VAL 12 3HG1 VAL 12 4.151 -8.469 -11.083 241 HG21 VAL 12 3HG2 VAL 12 2.875 -11.931 -11.459 242 HG22 VAL 12 1HG2 VAL 12 1.411 -10.945 -11.710 243 HG23 VAL 12 2HG2 VAL 12 2.207 -11.754 -13.072 244 H GLU 13 H GLU 13 0.527 -9.953 -14.379 245 HA GLU 13 HA GLU 13 1.764 -10.664 -16.892 246 HB2 GLU 13 1HB GLU 13 -1.053 -10.514 -15.808 247 HB3 GLU 13 2HB GLU 13 -0.915 -10.433 -17.553 248 HG2 GLU 13 1HG GLU 13 0.395 -12.676 -16.023 249 HG3 GLU 13 2HG GLU 13 -1.319 -12.722 -16.457 250 HE2 GLU 13 HE2 GLU 13 1.438 -13.091 -19.238 251 H ALA 14 H ALA 14 -0.278 -7.886 -15.863 252 HA ALA 14 HA ALA 14 -0.420 -6.641 -18.388 253 HB1 ALA 14 3HB ALA 14 -1.110 -4.693 -17.176 254 HB2 ALA 14 1HB ALA 14 -1.738 -6.089 -16.328 255 HB3 ALA 14 2HB ALA 14 -0.268 -5.272 -15.709 256 H LEU 15 H LEU 15 2.066 -6.355 -15.718 257 HA LEU 15 HA LEU 15 3.717 -4.498 -17.096 258 HB2 LEU 15 1HB LEU 15 4.359 -6.533 -14.961 259 HB3 LEU 15 2HB LEU 15 5.418 -5.252 -15.498 260 HG LEU 15 HG LEU 15 2.702 -4.894 -14.211 261 HD11 LEU 15 1HD1 LEU 15 4.527 -5.733 -12.705 262 HD12 LEU 15 2HD1 LEU 15 3.821 -4.160 -12.230 263 HD13 LEU 15 3HD1 LEU 15 5.404 -4.211 -13.030 264 HD21 LEU 15 3HD2 LEU 15 4.734 -2.687 -14.849 265 HD22 LEU 15 1HD2 LEU 15 3.141 -2.535 -14.151 266 HD23 LEU 15 2HD2 LEU 15 3.285 -3.056 -15.814 267 H TYR 16 H TYR 16 3.863 -8.079 -17.081 268 HA TYR 16 HA TYR 16 6.255 -8.326 -18.679 269 HB2 TYR 16 1HB TYR 16 5.162 -10.261 -17.555 270 HB3 TYR 16 2HB TYR 16 3.693 -10.017 -18.544 271 HD1 TYR 16 HD1 TYR 16 7.330 -10.953 -18.744 272 HD2 TYR 16 HD2 TYR 16 3.502 -10.841 -20.800 273 HE1 TYR 16 HE1 TYR 16 8.219 -12.364 -20.517 274 HE2 TYR 16 HE2 TYR 16 4.410 -12.267 -22.595 275 HH TYR 16 HH TYR 16 6.257 -13.339 -23.385 276 H LEU 17 H LEU 17 2.822 -7.744 -19.588 277 HA LEU 17 HA LEU 17 3.445 -8.042 -22.421 278 HB2 LEU 17 1HB LEU 17 1.119 -6.876 -20.851 279 HB3 LEU 17 2HB LEU 17 1.138 -6.928 -22.621 280 HG LEU 17 HG LEU 17 1.368 -9.449 -20.942 281 HD11 LEU 17 1HD1 LEU 17 -1.235 -8.608 -22.213 282 HD12 LEU 17 2HD1 LEU 17 -0.778 -7.984 -20.590 283 HD13 LEU 17 3HD1 LEU 17 -0.890 -9.721 -20.854 284 HD21 LEU 17 3HD2 LEU 17 0.693 -8.913 -23.896 285 HD22 LEU 17 1HD2 LEU 17 0.569 -10.481 -23.059 286 HD23 LEU 17 2HD2 LEU 17 2.133 -9.737 -23.230 287 H VAL 18 H VAL 18 3.266 -5.287 -20.115 288 HA VAL 18 HA VAL 18 3.414 -3.491 -22.371 289 HB VAL 18 HB VAL 18 2.046 -3.084 -20.190 290 HG11 VAL 18 1HG1 VAL 18 3.053 -1.825 -18.437 291 HG12 VAL 18 2HG1 VAL 18 3.981 -3.306 -18.685 292 HG13 VAL 18 3HG1 VAL 18 4.623 -1.765 -19.287 293 HG21 VAL 18 3HG2 VAL 18 2.022 -1.437 -21.984 294 HG22 VAL 18 1HG2 VAL 18 2.142 -0.600 -20.415 295 HG23 VAL 18 2HG2 VAL 18 3.599 -0.754 -21.457 296 H CYS 19 H CYS 19 5.731 -4.595 -19.879 297 HA CYS 19 HA CYS 19 7.832 -2.912 -21.234 298 HB2 CYS 19 1HB CYS 19 7.619 -3.893 -18.376 299 HB3 CYS 19 2HB CYS 19 9.002 -3.035 -19.048 300 H GLY 20 H GLY 20 6.873 -6.046 -20.226 301 HA2 GLY 20 1HA GLY 20 7.964 -8.136 -20.264 302 HA3 GLY 20 2HA GLY 20 8.212 -7.577 -21.936 303 H GLU 21 H GLU 21 10.382 -7.065 -22.528 304 HA GLU 21 HA GLU 21 12.543 -8.384 -21.404 305 HB2 GLU 21 1HB GLU 21 13.960 -6.887 -22.783 306 HB3 GLU 21 2HB GLU 21 12.598 -7.615 -23.662 307 HG2 GLU 21 1HG GLU 21 11.326 -5.470 -23.554 308 HG3 GLU 21 2HG GLU 21 12.676 -4.673 -22.751 309 HE2 GLU 21 HE2 GLU 21 12.678 -4.215 -26.362 310 H ARG 22 H ARG 22 11.334 -5.180 -20.435 311 HA ARG 22 HA ARG 22 13.814 -4.486 -19.045 312 HB2 ARG 22 1HB ARG 22 11.000 -3.283 -18.752 313 HB3 ARG 22 2HB ARG 22 12.508 -2.561 -18.212 314 HG2 ARG 22 1HG ARG 22 13.271 -2.790 -20.733 315 HG3 ARG 22 2HG ARG 22 11.526 -2.926 -21.018 316 HD2 ARG 22 1HD ARG 22 12.131 -0.519 -21.251 317 HD3 ARG 22 2HD ARG 22 11.330 -0.712 -19.681 318 HE ARG 22 HE ARG 22 13.289 -0.285 -18.541 319 HH11 ARG 22 1HH1 ARG 22 14.168 -0.729 -21.928 320 HH12 ARG 22 2HH1 ARG 22 15.732 -0.083 -21.689 321 HH21 ARG 22 1HH2 ARG 22 15.262 0.564 -18.334 322 HH22 ARG 22 2HH2 ARG 22 16.365 0.657 -19.687 323 H GLY 23 H GLY 23 10.953 -6.375 -18.232 324 HA2 GLY 23 1HA GLY 23 10.402 -7.409 -16.182 325 HA3 GLY 23 2HA GLY 23 11.936 -6.885 -15.559 326 H PHE 24 H PHE 24 10.587 -6.763 -13.626 327 HA PHE 24 HA PHE 24 9.881 -3.985 -13.093 328 HB2 PHE 24 1HB PHE 24 7.630 -4.697 -12.105 329 HB3 PHE 24 2HB PHE 24 7.639 -4.612 -13.865 330 HD1 PHE 24 HD2 PHE 24 7.835 -7.000 -10.967 331 HD2 PHE 24 HD1 PHE 24 7.129 -6.591 -15.182 332 HE1 PHE 24 HE2 PHE 24 7.096 -9.400 -11.059 333 HE2 PHE 24 HE1 PHE 24 6.341 -8.971 -15.284 334 HZ PHE 24 HZ PHE 24 6.417 -10.374 -13.279 335 H PHE 25 H PHE 25 9.330 -3.897 -10.690 336 HA PHE 25 HA PHE 25 10.952 -5.911 -9.218 337 HB2 PHE 25 1HB PHE 25 11.413 -3.440 -8.931 338 HB3 PHE 25 2HB PHE 25 9.778 -3.290 -8.178 339 HD1 PHE 25 HD1 PHE 25 9.325 -4.271 -6.016 340 HD2 PHE 25 HD2 PHE 25 13.216 -4.545 -7.801 341 HE1 PHE 25 HE1 PHE 25 10.350 -4.947 -3.751 342 HE2 PHE 25 HE2 PHE 25 14.191 -5.303 -5.644 343 HZ PHE 25 HZ PHE 25 12.737 -5.475 -3.637 344 H NVA 26 H ARX 26 9.990 -7.490 -8.261 345 HA NVA 26 HA ARX 26 7.044 -7.423 -7.649 346 HB2 NVA 26 1HB ARX 26 8.340 -9.307 -9.094 347 HB3 NVA 26 2HB ARX 26 8.818 -9.997 -7.520 348 HG2 NVA 26 1HG ARX 26 6.325 -9.988 -6.877 349 HG3 NVA 26 2HG ARX 26 5.973 -9.349 -8.494 350 HD2 NVA 26 1HD ARX 26 5.550 -11.849 -8.472 351 HD3 NVA 26 2HD ARX 26 7.066 -11.498 -9.443 352 H THR 27 H THR 27 6.218 -7.805 -5.805 353 HA THR 27 HA THR 27 7.681 -7.247 -3.299 354 HB THR 27 HB THR 27 5.420 -8.090 -2.242 355 HG1 THR 27 HG1 THR 27 3.854 -8.657 -3.593 356 HG21 THR 27 1HG2 THR 27 4.182 -5.997 -2.731 357 HG22 THR 27 2HG2 THR 27 5.253 -5.731 -4.132 358 HG23 THR 27 3HG2 THR 27 5.909 -5.653 -2.512 359 HA PRO 28 HA PRO 28 9.333 -11.108 -2.588 360 HB2 PRO 28 1HB PRO 28 8.602 -11.933 -0.013 361 HB3 PRO 28 2HB PRO 28 9.878 -10.655 -0.365 362 HG2 PRO 28 1HG PRO 28 6.880 -10.339 0.184 363 HG3 PRO 28 2HG PRO 28 8.271 -9.537 1.050 364 HD2 PRO 28 1HD PRO 28 7.038 -8.210 -0.899 365 HD3 PRO 28 2HD PRO 28 8.840 -8.232 -0.929 366 H HIX 29 H HIX 29 8.788 -12.971 -3.539 367 HA HIX 29 HA HIX 29 6.144 -13.946 -3.886 368 HB1 HIX 29 1HB HIX 29 8.986 -15.042 -4.563 369 HB2 HIX 29 2HB HIX 29 7.469 -15.793 -5.086 370 HD2 HIX 29 HD2 HIX 29 6.293 -12.342 -5.618 371 HD1 HIX 29 HD1 HIX 29 9.169 -14.857 -7.516 372 H THR 30 H THR 30 5.172 -14.457 -2.046 373 HA THR 30 HA THR 30 5.880 -17.017 -0.736 374 HB THR 30 HB THR 30 5.350 -15.893 1.597 375 HG1 THR 30 HG1 THR 30 6.188 -13.495 0.777 376 HG21 THR 30 1HG2 THR 30 7.780 -14.711 0.156 377 HG22 THR 30 2HG2 THR 30 7.745 -16.314 0.896 378 HG23 THR 30 3HG2 THR 30 7.573 -14.873 1.852 379 HXT THR 30 H02 THR 30 4.265 -16.382 -2.444 Start of MODEL 29 1 H1 GLY 1 2H0 GLY 1 2.597 1.649 -0.510 2 H2 GLY 1 1H0 GLY 1 2.229 2.240 -1.986 3 HA2 GLY 1 1HA GLY 1 2.086 -0.251 -1.706 4 HA3 GLY 1 2HA GLY 1 0.489 0.120 -0.904 5 H ILE 2 H ILE 2 2.385 0.655 -3.924 6 HA ILE 2 HA ILE 2 0.284 1.684 -5.483 7 HB ILE 2 HB ILE 2 2.805 1.709 -6.050 8 HG12 ILE 2 1HG1 ILE 2 2.527 1.553 -8.460 9 HG13 ILE 2 2HG1 ILE 2 0.949 0.769 -8.251 10 HG21 ILE 2 1HG2 ILE 2 2.220 -1.132 -7.087 11 HG22 ILE 2 2HG2 ILE 2 3.693 -0.195 -7.454 12 HG23 ILE 2 3HG2 ILE 2 3.371 -0.701 -5.792 13 HD11 ILE 2 3HD1 ILE 2 1.578 3.557 -7.193 14 HD12 ILE 2 1HD1 ILE 2 0.937 3.277 -8.796 15 HD13 ILE 2 2HD1 ILE 2 -0.031 2.842 -7.394 16 H VAL 3 H VAL 3 1.084 -1.616 -4.594 17 HA VAL 3 HA VAL 3 -0.339 -3.010 -6.571 18 HB VAL 3 HB VAL 3 0.071 -3.771 -3.627 19 HG11 VAL 3 1HG1 VAL 3 -1.706 -5.213 -4.493 20 HG12 VAL 3 2HG1 VAL 3 -0.769 -5.494 -6.006 21 HG13 VAL 3 3HG1 VAL 3 -0.166 -6.127 -4.446 22 HG21 VAL 3 3HG2 VAL 3 2.248 -3.389 -4.720 23 HG22 VAL 3 1HG2 VAL 3 1.991 -5.088 -4.438 24 HG23 VAL 3 2HG2 VAL 3 1.726 -4.468 -6.074 25 H GLU 4 H GLU 4 -1.463 -2.020 -3.277 26 HA GLU 4 HA GLU 4 -4.106 -2.923 -3.838 27 HB2 GLU 4 1HB GLU 4 -4.743 -1.610 -1.854 28 HB3 GLU 4 2HB GLU 4 -3.440 -2.781 -1.557 29 HG2 GLU 4 1HG GLU 4 -1.831 -0.936 -1.704 30 HG3 GLU 4 2HG GLU 4 -3.167 0.230 -1.843 31 HE2 GLU 4 HE2 GLU 4 -3.280 1.128 -0.077 32 H GLN 5 H GLN 5 -2.366 0.065 -4.642 33 HA GLN 5 HA GLN 5 -4.795 1.525 -5.140 34 HB2 GLN 5 1HB GLN 5 -2.012 1.908 -6.122 35 HB3 GLN 5 2HB GLN 5 -3.362 2.840 -6.803 36 HG2 GLN 5 1HG GLN 5 -3.934 3.141 -4.202 37 HG3 GLN 5 2HG GLN 5 -2.184 2.875 -4.055 38 HE21 GLN 5 2HE2 GLN 5 -1.160 4.709 -3.945 39 HE22 GLN 5 1HE2 GLN 5 -1.629 6.202 -4.735 40 H CYS 6 H CYS 6 -2.680 -0.451 -7.279 41 HA CYS 6 HA CYS 6 -4.378 -0.008 -9.519 42 HB2 CYS 6 1HB CYS 6 -1.949 -1.371 -9.043 43 HB3 CYS 6 2HB CYS 6 -3.098 -2.535 -9.774 44 H CYS 7 H CYS 7 -4.649 -2.168 -6.776 45 HA CYS 7 HA CYS 7 -6.509 -3.962 -8.070 46 HB2 CYS 7 1HB CYS 7 -5.022 -4.376 -6.070 47 HB3 CYS 7 2HB CYS 7 -6.100 -3.436 -5.090 48 H THR 8 H THR 8 -6.772 -1.153 -5.725 49 HA THR 8 HA THR 8 -9.645 -1.516 -5.691 50 HB THR 8 HB THR 8 -8.321 -0.737 -3.758 51 HG1 THR 8 HG1 THR 8 -10.575 0.603 -4.873 52 HG21 THR 8 1HG2 THR 8 -8.474 2.071 -4.822 53 HG22 THR 8 2HG2 THR 8 -7.051 1.099 -5.260 54 HG23 THR 8 3HG2 THR 8 -7.409 1.371 -3.545 55 H SER 9 H SER 9 -7.548 0.472 -7.629 56 HA SER 9 HA SER 9 -9.964 1.761 -8.753 57 HB2 SER 9 1HB SER 9 -8.388 3.209 -7.394 58 HB3 SER 9 2HB SER 9 -7.239 2.979 -8.741 59 HG SER 9 HG SER 9 -8.348 4.667 -9.373 60 H ILE 10 H ILE 10 -9.070 2.769 -11.021 61 HA ILE 10 HA ILE 10 -8.587 0.370 -12.633 62 HB ILE 10 HB ILE 10 -9.541 3.212 -13.235 63 HG12 ILE 10 1HG1 ILE 10 -11.156 1.692 -12.132 64 HG13 ILE 10 2HG1 ILE 10 -11.701 2.224 -13.706 65 HG21 ILE 10 1HG2 ILE 10 -8.323 2.556 -15.206 66 HG22 ILE 10 2HG2 ILE 10 -9.139 0.946 -15.209 67 HG23 ILE 10 3HG2 ILE 10 -10.061 2.457 -15.550 68 HD11 ILE 10 3HD1 ILE 10 -10.469 -0.502 -13.233 69 HD12 ILE 10 1HD1 ILE 10 -12.209 -0.156 -13.338 70 HD13 ILE 10 2HD1 ILE 10 -11.147 0.109 -14.754 71 H CYS 11 H CYS 11 -6.747 -0.066 -13.608 72 HA CYS 11 HA CYS 11 -4.455 1.780 -13.356 73 HB2 CYS 11 1HB CYS 11 -4.600 -0.933 -14.606 74 HB3 CYS 11 2HB CYS 11 -3.118 -0.145 -14.079 75 H SER 12 H SER 12 -3.091 2.306 -15.252 76 HA SER 12 HA SER 12 -4.486 2.285 -17.860 77 HB2 SER 12 1HB SER 12 -2.943 4.649 -17.376 78 HB3 SER 12 2HB SER 12 -4.654 4.533 -17.866 79 HG SER 12 HG SER 12 -4.869 5.513 -15.989 80 H LEU 13 H LEU 13 -3.022 2.705 -19.690 81 HA LEU 13 HA LEU 13 -0.704 1.068 -19.611 82 HB2 LEU 13 1HB LEU 13 -1.538 3.305 -21.462 83 HB3 LEU 13 2HB LEU 13 -0.038 2.430 -21.713 84 HG LEU 13 HG LEU 13 -2.693 1.008 -21.435 85 HD11 LEU 13 1HD1 LEU 13 -2.681 0.851 -23.982 86 HD12 LEU 13 2HD1 LEU 13 -1.571 2.265 -23.961 87 HD13 LEU 13 3HD1 LEU 13 -3.210 2.388 -23.258 88 HD21 LEU 13 3HD2 LEU 13 -1.491 -0.696 -22.770 89 HD22 LEU 13 1HD2 LEU 13 -0.766 -0.392 -21.186 90 HD23 LEU 13 2HD2 LEU 13 -0.021 0.256 -22.666 91 H TYR 14 H TYR 14 -1.020 4.564 -19.357 92 HA TYR 14 HA TYR 14 1.774 5.045 -19.327 93 HB2 TYR 14 1HB TYR 14 0.234 7.012 -17.843 94 HB3 TYR 14 2HB TYR 14 1.201 7.213 -19.349 95 HD1 TYR 14 HD2 TYR 14 0.113 6.370 -21.575 96 HD2 TYR 14 HD1 TYR 14 -2.097 6.978 -17.921 97 HE1 TYR 14 HE2 TYR 14 -1.986 6.467 -22.912 98 HE2 TYR 14 HE1 TYR 14 -4.216 7.110 -19.280 99 HH TYR 14 HH TYR 14 -4.275 6.719 -22.816 100 H GLN 15 H GLN 15 -0.633 4.483 -16.777 101 HA GLN 15 HA GLN 15 1.114 5.010 -14.576 102 HB2 GLN 15 1HB GLN 15 -1.308 3.198 -14.878 103 HB3 GLN 15 2HB GLN 15 -0.480 3.457 -13.310 104 HG2 GLN 15 1HG GLN 15 -1.549 5.786 -14.867 105 HG3 GLN 15 2HG GLN 15 -2.604 4.814 -13.842 106 HE21 GLN 15 2HE2 GLN 15 -2.633 5.086 -11.651 107 HE22 GLN 15 1HE2 GLN 15 -1.587 6.160 -10.753 108 H LEU 16 H LEU 16 0.361 1.971 -16.346 109 HA LEU 16 HA LEU 16 2.063 0.399 -14.746 110 HB2 LEU 16 1HB LEU 16 1.215 0.115 -17.631 111 HB3 LEU 16 2HB LEU 16 2.032 -1.191 -16.719 112 HG LEU 16 HG LEU 16 -0.637 0.021 -15.922 113 HD11 LEU 16 1HD1 LEU 16 -0.905 -0.874 -18.110 114 HD12 LEU 16 2HD1 LEU 16 -1.442 -2.170 -17.009 115 HD13 LEU 16 3HD1 LEU 16 0.190 -2.255 -17.765 116 HD21 LEU 16 3HD2 LEU 16 -0.918 -1.950 -14.562 117 HD22 LEU 16 1HD2 LEU 16 0.649 -1.254 -14.171 118 HD23 LEU 16 2HD2 LEU 16 0.583 -2.670 -15.230 119 H GLU 17 H GLU 17 2.683 2.007 -17.883 120 HA GLU 17 HA GLU 17 5.393 1.083 -18.026 121 HB2 GLU 17 1HB GLU 17 3.971 3.427 -19.298 122 HB3 GLU 17 2HB GLU 17 5.713 3.188 -19.435 123 HG2 GLU 17 1HG GLU 17 5.118 0.804 -20.220 124 HG3 GLU 17 2HG GLU 17 3.512 1.500 -20.527 125 HE2 GLU 17 HE2 GLU 17 5.800 1.889 -23.356 126 H ASN 18 H ASN 18 4.087 3.786 -16.197 127 HA ASN 18 HA ASN 18 6.569 5.130 -15.804 128 HB2 ASN 18 1HB ASN 18 4.009 4.918 -14.233 129 HB3 ASN 18 2HB ASN 18 5.447 5.652 -13.479 130 HD21 ASN 18 2HD2 ASN 18 2.742 6.750 -14.563 131 HD22 ASN 18 1HD2 ASN 18 3.268 8.124 -15.515 132 H TYR 19 H TYR 19 5.494 1.978 -14.568 133 HA TYR 19 HA TYR 19 7.230 2.145 -12.172 134 HB2 TYR 19 1HB TYR 19 5.896 -0.275 -13.471 135 HB3 TYR 19 2HB TYR 19 6.502 -0.153 -11.793 136 HD1 TYR 19 HD2 TYR 19 5.244 2.760 -11.323 137 HD2 TYR 19 HD1 TYR 19 3.690 -0.921 -12.846 138 HE1 TYR 19 HE2 TYR 19 2.970 3.399 -10.627 139 HE2 TYR 19 HE1 TYR 19 1.453 -0.313 -12.219 140 HH TYR 19 HH TYR 19 0.151 1.119 -11.336 141 H CYS 20 H CYS 20 7.665 1.532 -15.426 142 HA CYS 20 HA CYS 20 10.005 -0.314 -15.017 143 HB2 CYS 20 1HB CYS 20 8.240 0.204 -17.455 144 HB3 CYS 20 2HB CYS 20 9.632 -0.860 -17.425 145 H ASN 21 H ASN 21 11.411 0.049 -17.026 146 HA ASN 21 HA ASN 21 12.788 2.470 -16.673 147 HB2 ASN 21 1HB ASN 21 13.972 0.487 -17.546 148 HB3 ASN 21 2HB ASN 21 13.040 0.606 -19.053 149 HD21 ASN 21 2HD2 ASN 21 15.429 2.393 -16.950 150 HD22 ASN 21 1HD2 ASN 21 16.030 3.309 -18.320 151 HXT ASN 21 H02 ASN 21 11.504 4.759 -18.418 152 H1 PHE 1 2H0 PHE 1 -4.579 -3.764 -26.271 153 H2 PHE 1 1H0 PHE 1 -6.222 -3.575 -26.272 154 HA PHE 1 HA PHE 1 -5.101 -4.050 -24.061 155 HB2 PHE 1 1HB PHE 1 -3.461 -2.255 -24.676 156 HB3 PHE 1 2HB PHE 1 -4.730 -1.051 -24.419 157 HD1 PHE 1 HD1 PHE 1 -2.572 -3.583 -22.793 158 HD2 PHE 1 HD2 PHE 1 -5.271 -0.313 -22.104 159 HE1 PHE 1 HE1 PHE 1 -1.851 -3.514 -20.494 160 HE2 PHE 1 HE2 PHE 1 -4.646 -0.281 -19.753 161 HZ PHE 1 HZ PHE 1 -2.985 -1.871 -18.925 162 H VAL 2 H VAL 2 -6.200 -3.486 -22.235 163 HA VAL 2 HA VAL 2 -8.578 -1.671 -22.384 164 HB VAL 2 HB VAL 2 -9.534 -3.857 -22.846 165 HG11 VAL 2 1HG1 VAL 2 -7.998 -5.460 -21.977 166 HG12 VAL 2 2HG1 VAL 2 -8.095 -4.848 -20.321 167 HG13 VAL 2 3HG1 VAL 2 -9.497 -5.700 -21.050 168 HG21 VAL 2 3HG2 VAL 2 -10.201 -3.095 -19.942 169 HG22 VAL 2 1HG2 VAL 2 -10.796 -2.235 -21.409 170 HG23 VAL 2 2HG2 VAL 2 -11.250 -3.910 -21.097 171 H ASN 3 H ASN 3 -8.767 -0.368 -20.686 172 HA ASN 3 HA ASN 3 -6.866 -0.582 -18.467 173 HB2 ASN 3 1HB ASN 3 -7.943 1.508 -17.681 174 HB3 ASN 3 2HB ASN 3 -7.401 1.650 -19.365 175 HD21 ASN 3 2HD2 ASN 3 -9.966 2.086 -17.266 176 HD22 ASN 3 1HD2 ASN 3 -11.214 2.321 -18.457 177 H GLN 4 H GLN 4 -7.346 -1.392 -16.474 178 HA GLN 4 HA GLN 4 -10.075 -2.021 -15.627 179 HB2 GLN 4 1HB GLN 4 -9.828 -4.459 -15.716 180 HB3 GLN 4 2HB GLN 4 -9.591 -3.760 -17.329 181 HG2 GLN 4 1HG GLN 4 -7.227 -4.135 -17.283 182 HG3 GLN 4 2HG GLN 4 -7.255 -4.446 -15.522 183 HE21 GLN 4 2HE2 GLN 4 -8.211 -5.769 -18.663 184 HE22 GLN 4 1HE2 GLN 4 -8.290 -7.435 -18.177 185 H HIS 5 H HIS 5 -9.991 -3.433 -13.473 186 HA HIS 5 HA HIS 5 -7.917 -2.295 -11.704 187 HB2 HIS 5 1HB HIS 5 -9.911 -4.589 -11.363 188 HB3 HIS 5 2HB HIS 5 -8.910 -3.852 -10.051 189 HD1 HIS 5 HD1 HIS 5 -9.577 -1.601 -9.055 190 HD2 HIS 5 HD2 HIS 5 -12.046 -2.823 -12.211 191 HE1 HIS 5 HE1 HIS 5 -11.502 0.000 -9.096 192 HE2 HIS 5 HE2 HIS 5 -13.034 -0.721 -11.012 193 H LEU 6 H LEU 6 -6.094 -3.443 -10.842 194 HA LEU 6 HA LEU 6 -5.718 -6.162 -11.984 195 HB2 LEU 6 1HB LEU 6 -3.511 -4.086 -11.793 196 HB3 LEU 6 2HB LEU 6 -3.364 -5.695 -12.444 197 HG LEU 6 HG LEU 6 -5.088 -3.589 -13.741 198 HD11 LEU 6 1HD1 LEU 6 -2.339 -4.558 -14.405 199 HD12 LEU 6 2HD1 LEU 6 -2.751 -2.999 -13.578 200 HD13 LEU 6 3HD1 LEU 6 -3.300 -3.267 -15.235 201 HD21 LEU 6 3HD2 LEU 6 -4.983 -5.110 -15.710 202 HD22 LEU 6 1HD2 LEU 6 -5.715 -5.948 -14.339 203 HD23 LEU 6 2HD2 LEU 6 -4.035 -6.290 -14.784 204 H CYS 7 H CYS 7 -5.081 -7.636 -10.449 205 HA CYS 7 HA CYS 7 -3.731 -6.771 -7.952 206 HB2 CYS 7 1HB CYS 7 -6.527 -6.856 -8.062 207 HB3 CYS 7 2HB CYS 7 -6.121 -8.504 -7.614 208 H GLY 8 H GLY 8 -2.576 -8.641 -7.094 209 HA2 GLY 8 1HA GLY 8 -1.635 -10.790 -7.200 210 HA3 GLY 8 2HA GLY 8 -3.142 -11.293 -7.924 211 H SER 9 H SER 9 -2.528 -12.573 -9.477 212 HA SER 9 HA SER 9 -0.147 -12.370 -10.986 213 HB2 SER 9 1HB SER 9 -1.333 -14.456 -10.621 214 HB3 SER 9 2HB SER 9 -2.694 -13.890 -11.594 215 HG SER 9 HG SER 9 -1.453 -14.008 -13.398 216 H HIS 10 H HIS 10 -3.258 -10.805 -11.492 217 HA HIS 10 HA HIS 10 -3.054 -10.249 -14.293 218 HB2 HIS 10 1HB HIS 10 -4.488 -8.988 -11.923 219 HB3 HIS 10 2HB HIS 10 -4.354 -8.133 -13.472 220 HD1 HIS 10 HD1 HIS 10 -6.744 -8.301 -14.427 221 HD2 HIS 10 HD2 HIS 10 -5.059 -11.982 -13.230 222 HE1 HIS 10 HE1 HIS 10 -8.283 -10.128 -15.268 223 HE2 HIS 10 HE2 HIS 10 -7.354 -12.320 -14.440 224 H LEU 11 H LEU 11 -1.532 -8.757 -11.462 225 HA LEU 11 HA LEU 11 -0.925 -6.302 -12.957 226 HB2 LEU 11 1HB LEU 11 -0.766 -7.191 -10.257 227 HB3 LEU 11 2HB LEU 11 0.858 -6.721 -10.751 228 HG LEU 11 HG LEU 11 -1.612 -4.971 -10.991 229 HD11 LEU 11 1HD1 LEU 11 0.628 -5.028 -8.952 230 HD12 LEU 11 2HD1 LEU 11 -1.095 -5.427 -8.674 231 HD13 LEU 11 3HD1 LEU 11 -0.640 -3.768 -9.050 232 HD21 LEU 11 3HD2 LEU 11 0.326 -4.348 -12.584 233 HD22 LEU 11 1HD2 LEU 11 1.273 -3.988 -11.179 234 HD23 LEU 11 2HD2 LEU 11 -0.211 -3.092 -11.497 235 H VAL 12 H VAL 12 0.996 -9.207 -11.925 236 HA VAL 12 HA VAL 12 3.385 -8.199 -13.123 237 HB VAL 12 HB VAL 12 3.734 -9.858 -11.493 238 HG11 VAL 12 1HG1 VAL 12 1.665 -11.503 -12.936 239 HG12 VAL 12 2HG1 VAL 12 2.691 -12.190 -11.643 240 HG13 VAL 12 3HG1 VAL 12 1.567 -10.877 -11.313 241 HG21 VAL 12 3HG2 VAL 12 4.050 -11.542 -13.975 242 HG22 VAL 12 1HG2 VAL 12 5.086 -10.125 -13.636 243 HG23 VAL 12 2HG2 VAL 12 5.093 -11.490 -12.489 244 H GLU 13 H GLU 13 0.659 -10.140 -14.301 245 HA GLU 13 HA GLU 13 1.811 -10.824 -16.858 246 HB2 GLU 13 1HB GLU 13 -1.025 -10.470 -15.849 247 HB3 GLU 13 2HB GLU 13 -0.673 -10.818 -17.530 248 HG2 GLU 13 1HG GLU 13 0.434 -12.934 -16.969 249 HG3 GLU 13 2HG GLU 13 0.267 -12.573 -15.229 250 HE2 GLU 13 HE2 GLU 13 -1.675 -12.653 -18.008 251 H ALA 14 H ALA 14 0.001 -7.935 -15.754 252 HA ALA 14 HA ALA 14 -0.337 -6.787 -18.353 253 HB1 ALA 14 3HB ALA 14 -0.935 -4.781 -17.239 254 HB2 ALA 14 1HB ALA 14 -1.596 -6.154 -16.300 255 HB3 ALA 14 2HB ALA 14 -0.151 -5.317 -15.734 256 H LEU 15 H LEU 15 2.104 -6.357 -15.774 257 HA LEU 15 HA LEU 15 3.557 -4.434 -17.209 258 HB2 LEU 15 1HB LEU 15 4.344 -6.287 -14.957 259 HB3 LEU 15 2HB LEU 15 5.327 -4.880 -15.504 260 HG LEU 15 HG LEU 15 2.478 -4.710 -14.403 261 HD11 LEU 15 1HD1 LEU 15 3.552 -3.941 -12.352 262 HD12 LEU 15 2HD1 LEU 15 5.119 -4.286 -13.085 263 HD13 LEU 15 3HD1 LEU 15 4.017 -5.592 -12.731 264 HD21 LEU 15 3HD2 LEU 15 2.971 -2.329 -14.160 265 HD22 LEU 15 1HD2 LEU 15 3.246 -2.793 -15.839 266 HD23 LEU 15 2HD2 LEU 15 4.648 -2.621 -14.770 267 H TYR 16 H TYR 16 3.822 -7.903 -17.093 268 HA TYR 16 HA TYR 16 6.287 -8.143 -18.546 269 HB2 TYR 16 1HB TYR 16 5.361 -10.058 -17.361 270 HB3 TYR 16 2HB TYR 16 3.859 -9.958 -18.305 271 HD1 TYR 16 HD1 TYR 16 7.613 -10.543 -18.759 272 HD2 TYR 16 HD2 TYR 16 3.613 -11.235 -20.320 273 HE1 TYR 16 HE1 TYR 16 8.532 -12.062 -20.486 274 HE2 TYR 16 HE2 TYR 16 4.502 -12.686 -22.040 275 HH TYR 16 HH TYR 16 8.031 -13.336 -22.436 276 H LEU 17 H LEU 17 2.853 -7.865 -19.570 277 HA LEU 17 HA LEU 17 3.527 -8.145 -22.385 278 HB2 LEU 17 1HB LEU 17 1.113 -7.019 -20.877 279 HB3 LEU 17 2HB LEU 17 1.202 -7.117 -22.626 280 HG LEU 17 HG LEU 17 1.415 -9.588 -20.913 281 HD11 LEU 17 1HD1 LEU 17 -1.026 -8.585 -22.391 282 HD12 LEU 17 2HD1 LEU 17 -0.781 -8.498 -20.589 283 HD13 LEU 17 3HD1 LEU 17 -0.866 -10.096 -21.420 284 HD21 LEU 17 3HD2 LEU 17 2.375 -10.061 -22.970 285 HD22 LEU 17 1HD2 LEU 17 1.244 -9.064 -23.876 286 HD23 LEU 17 2HD2 LEU 17 0.756 -10.587 -23.180 287 H VAL 18 H VAL 18 3.070 -5.271 -20.194 288 HA VAL 18 HA VAL 18 3.293 -3.513 -22.474 289 HB VAL 18 HB VAL 18 1.875 -3.087 -20.375 290 HG11 VAL 18 1HG1 VAL 18 3.696 -3.274 -18.776 291 HG12 VAL 18 2HG1 VAL 18 4.379 -1.740 -19.388 292 HG13 VAL 18 3HG1 VAL 18 2.763 -1.789 -18.658 293 HG21 VAL 18 3HG2 VAL 18 1.986 -0.724 -20.707 294 HG22 VAL 18 1HG2 VAL 18 3.494 -0.912 -21.659 295 HG23 VAL 18 2HG2 VAL 18 1.921 -1.606 -22.208 296 H CYS 19 H CYS 19 5.513 -4.493 -19.866 297 HA CYS 19 HA CYS 19 7.623 -2.623 -20.941 298 HB2 CYS 19 1HB CYS 19 7.692 -4.468 -18.554 299 HB3 CYS 19 2HB CYS 19 8.825 -3.218 -18.932 300 H GLY 20 H GLY 20 6.654 -5.862 -21.307 301 HA2 GLY 20 1HA GLY 20 7.616 -7.626 -22.416 302 HA3 GLY 20 2HA GLY 20 8.668 -6.441 -23.196 303 H GLU 21 H GLU 21 10.585 -7.480 -23.106 304 HA GLU 21 HA GLU 21 11.385 -9.336 -21.140 305 HB2 GLU 21 1HB GLU 21 13.521 -9.285 -22.186 306 HB3 GLU 21 2HB GLU 21 12.288 -9.112 -23.439 307 HG2 GLU 21 1HG GLU 21 12.741 -6.555 -23.252 308 HG3 GLU 21 2HG GLU 21 14.211 -7.030 -22.411 309 HE2 GLU 21 HE2 GLU 21 14.096 -7.245 -26.277 310 H ARG 22 H ARG 22 11.283 -5.917 -20.862 311 HA ARG 22 HA ARG 22 13.697 -5.609 -19.346 312 HB2 ARG 22 1HB ARG 22 11.286 -3.995 -19.980 313 HB3 ARG 22 2HB ARG 22 11.994 -3.572 -18.468 314 HG2 ARG 22 1HG ARG 22 13.406 -3.434 -21.158 315 HG3 ARG 22 2HG ARG 22 12.834 -2.060 -20.179 316 HD2 ARG 22 1HD ARG 22 15.112 -4.040 -19.499 317 HD3 ARG 22 2HD ARG 22 15.304 -2.308 -19.945 318 HE ARG 22 HE ARG 22 13.703 -2.320 -17.699 319 HH11 ARG 22 1HH1 ARG 22 17.068 -3.212 -18.456 320 HH12 ARG 22 2HH1 ARG 22 17.512 -3.019 -16.805 321 HH21 ARG 22 1HH2 ARG 22 14.445 -2.037 -15.597 322 HH22 ARG 22 2HH2 ARG 22 16.149 -2.280 -15.258 323 H GLY 23 H GLY 23 10.389 -6.525 -18.669 324 HA2 GLY 23 1HA GLY 23 9.398 -7.157 -16.685 325 HA3 GLY 23 2HA GLY 23 10.981 -7.364 -15.938 326 H PHE 24 H PHE 24 10.145 -6.512 -13.989 327 HA PHE 24 HA PHE 24 10.274 -3.565 -13.804 328 HB2 PHE 24 1HB PHE 24 8.034 -3.426 -12.658 329 HB3 PHE 24 2HB PHE 24 7.830 -3.954 -14.298 330 HD1 PHE 24 HD1 PHE 24 7.878 -5.228 -10.808 331 HD2 PHE 24 HD2 PHE 24 7.027 -6.085 -14.955 332 HE1 PHE 24 HE1 PHE 24 6.814 -7.395 -10.159 333 HE2 PHE 24 HE2 PHE 24 6.045 -8.260 -14.262 334 HZ PHE 24 HZ PHE 24 5.857 -8.901 -11.880 335 H PHE 25 H PHE 25 9.960 -3.008 -11.323 336 HA PHE 25 HA PHE 25 11.175 -5.329 -9.762 337 HB2 PHE 25 1HB PHE 25 12.871 -3.586 -10.319 338 HB3 PHE 25 2HB PHE 25 11.837 -2.392 -9.503 339 HD1 PHE 25 HD2 PHE 25 14.012 -5.308 -8.993 340 HD2 PHE 25 HD1 PHE 25 11.794 -2.210 -7.083 341 HE1 PHE 25 HE2 PHE 25 15.183 -5.820 -6.834 342 HE2 PHE 25 HE1 PHE 25 12.935 -2.683 -4.928 343 HZ PHE 25 HZ PHE 25 14.652 -4.452 -4.777 344 H NVA 26 H ARX 26 9.641 -6.003 -8.493 345 HA NVA 26 HA ARX 26 7.635 -4.205 -7.194 346 HB2 NVA 26 1HB ARX 26 6.160 -6.037 -6.980 347 HB3 NVA 26 2HB ARX 26 6.781 -6.099 -8.660 348 HG2 NVA 26 1HG ARX 26 7.987 -8.058 -8.360 349 HG3 NVA 26 2HG ARX 26 8.267 -7.751 -6.618 350 HD2 NVA 26 1HD ARX 26 5.666 -8.180 -6.443 351 HD3 NVA 26 2HD ARX 26 5.816 -8.949 -8.017 352 H THR 27 H THR 27 10.518 -5.102 -6.410 353 HA THR 27 HA THR 27 11.799 -5.301 -4.512 354 HB THR 27 HB THR 27 11.096 -4.603 -2.369 355 HG1 THR 27 HG1 THR 27 8.546 -5.459 -3.266 356 HG21 THR 27 1HG2 THR 27 9.852 -2.548 -2.597 357 HG22 THR 27 2HG2 THR 27 9.085 -3.095 -4.101 358 HG23 THR 27 3HG2 THR 27 10.805 -2.757 -4.112 359 HA PRO 28 HA PRO 28 11.538 -9.505 -3.959 360 HB2 PRO 28 1HB PRO 28 12.269 -10.257 -1.437 361 HB3 PRO 28 2HB PRO 28 13.416 -9.628 -2.715 362 HG2 PRO 28 1HG PRO 28 12.215 -8.208 -0.387 363 HG3 PRO 28 2HG PRO 28 13.871 -8.229 -0.976 364 HD2 PRO 28 1HD PRO 28 12.058 -6.207 -1.562 365 HD3 PRO 28 2HD PRO 28 13.404 -6.679 -2.684 366 H HIX 29 H HIX 29 10.191 -11.041 -3.656 367 HA HIX 29 HA HIX 29 7.571 -10.639 -2.463 368 HB1 HIX 29 1HB HIX 29 8.846 -12.948 -4.151 369 HB2 HIX 29 2HB HIX 29 7.201 -12.948 -3.587 370 HD2 HIX 29 HD2 HIX 29 7.432 -9.376 -4.479 371 HD1 HIX 29 HD1 HIX 29 7.078 -12.991 -6.613 372 H THR 30 H THR 30 8.321 -10.484 -0.191 373 HA THR 30 HA THR 30 8.431 -13.194 1.096 374 HB THR 30 HB THR 30 10.409 -11.582 2.409 375 HG1 THR 30 HG1 THR 30 10.487 -11.693 -0.368 376 HG21 THR 30 1HG2 THR 30 10.174 -14.258 2.008 377 HG22 THR 30 2HG2 THR 30 11.764 -13.517 2.073 378 HG23 THR 30 3HG2 THR 30 11.061 -13.863 0.515 379 HXT THR 30 H02 THR 30 7.424 -9.980 2.976 Start of MODEL 30 1 H1 GLY 1 2H0 GLY 1 2.841 0.161 -0.726 2 H2 GLY 1 1H0 GLY 1 3.204 0.024 -2.282 3 HA2 GLY 1 1HA GLY 1 1.714 -1.667 -1.990 4 HA3 GLY 1 2HA GLY 1 0.603 -0.598 -1.070 5 H ILE 2 H ILE 2 2.188 -0.409 -4.245 6 HA ILE 2 HA ILE 2 -0.010 0.843 -5.452 7 HB ILE 2 HB ILE 2 2.359 0.681 -6.245 8 HG12 ILE 2 1HG1 ILE 2 1.769 0.712 -8.685 9 HG13 ILE 2 2HG1 ILE 2 0.121 0.200 -8.256 10 HG21 ILE 2 1HG2 ILE 2 2.541 -1.836 -6.118 11 HG22 ILE 2 2HG2 ILE 2 1.439 -1.952 -7.503 12 HG23 ILE 2 3HG2 ILE 2 3.029 -1.155 -7.692 13 HD11 ILE 2 3HD1 ILE 2 1.464 2.792 -7.407 14 HD12 ILE 2 1HD1 ILE 2 0.261 2.635 -8.651 15 HD13 ILE 2 2HD1 ILE 2 -0.183 2.305 -6.980 16 H VAL 3 H VAL 3 0.499 -2.536 -4.690 17 HA VAL 3 HA VAL 3 -1.180 -3.696 -6.691 18 HB VAL 3 HB VAL 3 -0.685 -4.602 -3.809 19 HG11 VAL 3 1HG1 VAL 3 -1.608 -6.224 -6.223 20 HG12 VAL 3 2HG1 VAL 3 -1.334 -6.806 -4.572 21 HG13 VAL 3 3HG1 VAL 3 -2.644 -5.691 -4.887 22 HG21 VAL 3 3HG2 VAL 3 1.048 -6.057 -4.850 23 HG22 VAL 3 1HG2 VAL 3 0.724 -5.337 -6.416 24 HG23 VAL 3 2HG2 VAL 3 1.391 -4.364 -5.117 25 H GLU 4 H GLU 4 -2.066 -2.781 -3.306 26 HA GLU 4 HA GLU 4 -4.863 -3.329 -3.821 27 HB2 GLU 4 1HB GLU 4 -5.296 -2.324 -1.722 28 HB3 GLU 4 2HB GLU 4 -3.835 -3.290 -1.577 29 HG2 GLU 4 1HG GLU 4 -3.057 -0.567 -2.185 30 HG3 GLU 4 2HG GLU 4 -4.164 -0.555 -0.812 31 HE2 GLU 4 HE2 GLU 4 -0.855 -2.721 -0.385 32 H GLN 5 H GLN 5 -2.804 -0.476 -4.639 33 HA GLN 5 HA GLN 5 -5.032 1.296 -4.937 34 HB2 GLN 5 1HB GLN 5 -2.546 1.921 -4.920 35 HB3 GLN 5 2HB GLN 5 -2.485 1.408 -6.607 36 HG2 GLN 5 1HG GLN 5 -2.807 3.792 -6.624 37 HG3 GLN 5 2HG GLN 5 -4.430 3.123 -6.966 38 HE21 GLN 5 2HE2 GLN 5 -2.564 5.230 -5.016 39 HE22 GLN 5 1HE2 GLN 5 -3.782 5.533 -3.789 40 H CYS 6 H CYS 6 -3.372 -0.941 -7.232 41 HA CYS 6 HA CYS 6 -5.247 -0.308 -9.409 42 HB2 CYS 6 1HB CYS 6 -3.282 -2.558 -9.049 43 HB3 CYS 6 2HB CYS 6 -4.078 -2.129 -10.572 44 H CYS 7 H CYS 7 -5.411 -2.262 -6.581 45 HA CYS 7 HA CYS 7 -7.251 -4.215 -7.782 46 HB2 CYS 7 1HB CYS 7 -5.811 -4.427 -5.677 47 HB3 CYS 7 2HB CYS 7 -7.095 -3.499 -4.873 48 H THR 8 H THR 8 -7.575 -1.326 -5.592 49 HA THR 8 HA THR 8 -10.514 -1.388 -5.852 50 HB THR 8 HB THR 8 -9.242 -0.871 -3.736 51 HG1 THR 8 HG1 THR 8 -10.701 0.904 -3.235 52 HG21 THR 8 1HG2 THR 8 -8.948 2.025 -4.502 53 HG22 THR 8 2HG2 THR 8 -7.701 0.900 -5.111 54 HG23 THR 8 3HG2 THR 8 -8.014 1.030 -3.385 55 H SER 9 H SER 9 -7.921 0.447 -7.465 56 HA SER 9 HA SER 9 -10.077 1.949 -8.876 57 HB2 SER 9 1HB SER 9 -7.471 3.224 -9.126 58 HB3 SER 9 2HB SER 9 -8.951 3.934 -8.470 59 HG SER 9 HG SER 9 -7.239 2.261 -6.971 60 H ILE 10 H ILE 10 -8.785 2.733 -11.088 61 HA ILE 10 HA ILE 10 -7.651 0.194 -12.105 62 HB ILE 10 HB ILE 10 -9.318 2.329 -13.559 63 HG12 ILE 10 1HG1 ILE 10 -9.914 -0.572 -12.788 64 HG13 ILE 10 2HG1 ILE 10 -10.674 0.885 -12.077 65 HG21 ILE 10 1HG2 ILE 10 -9.183 0.638 -15.503 66 HG22 ILE 10 2HG2 ILE 10 -7.647 1.482 -15.115 67 HG23 ILE 10 3HG2 ILE 10 -7.885 -0.190 -14.596 68 HD11 ILE 10 3HD1 ILE 10 -11.067 -0.017 -14.959 69 HD12 ILE 10 1HD1 ILE 10 -12.190 -0.179 -13.640 70 HD13 ILE 10 2HD1 ILE 10 -11.764 1.439 -14.228 71 H CYS 11 H CYS 11 -5.612 0.279 -12.736 72 HA CYS 11 HA CYS 11 -4.278 2.921 -12.835 73 HB2 CYS 11 1HB CYS 11 -3.249 0.012 -12.895 74 HB3 CYS 11 2HB CYS 11 -2.227 1.452 -12.902 75 H SER 12 H SER 12 -3.326 3.781 -14.689 76 HA SER 12 HA SER 12 -4.407 2.822 -17.260 77 HB2 SER 12 1HB SER 12 -2.672 5.178 -17.311 78 HB3 SER 12 2HB SER 12 -4.347 4.943 -17.851 79 HG SER 12 HG SER 12 -4.827 4.991 -15.503 80 H LEU 13 H LEU 13 -3.069 3.044 -19.244 81 HA LEU 13 HA LEU 13 -1.002 1.217 -19.304 82 HB2 LEU 13 1HB LEU 13 -2.028 3.324 -21.151 83 HB3 LEU 13 2HB LEU 13 -0.451 2.641 -21.491 84 HG LEU 13 HG LEU 13 -3.038 1.055 -21.229 85 HD11 LEU 13 1HD1 LEU 13 -2.915 2.619 -23.217 86 HD12 LEU 13 2HD1 LEU 13 -3.083 0.906 -23.620 87 HD13 LEU 13 3HD1 LEU 13 -1.488 1.711 -23.777 88 HD21 LEU 13 3HD2 LEU 13 -1.575 -0.662 -22.503 89 HD22 LEU 13 1HD2 LEU 13 -1.266 -0.436 -20.751 90 HD23 LEU 13 2HD2 LEU 13 -0.162 0.302 -21.952 91 H TYR 14 H TYR 14 -0.815 4.743 -19.344 92 HA TYR 14 HA TYR 14 1.949 5.019 -19.616 93 HB2 TYR 14 1HB TYR 14 0.561 7.085 -18.026 94 HB3 TYR 14 2HB TYR 14 1.484 7.248 -19.572 95 HD1 TYR 14 HD2 TYR 14 0.375 6.382 -21.781 96 HD2 TYR 14 HD1 TYR 14 -1.854 7.164 -18.151 97 HE1 TYR 14 HE2 TYR 14 -1.787 6.456 -23.036 98 HE2 TYR 14 HE1 TYR 14 -3.959 7.181 -19.381 99 HH TYR 14 HH TYR 14 -4.929 7.120 -21.356 100 H GLN 15 H GLN 15 -0.102 4.708 -16.753 101 HA GLN 15 HA GLN 15 1.953 5.232 -14.846 102 HB2 GLN 15 1HB GLN 15 -0.573 3.555 -14.535 103 HB3 GLN 15 2HB GLN 15 0.430 4.152 -13.197 104 HG2 GLN 15 1HG GLN 15 -0.100 6.527 -13.828 105 HG3 GLN 15 2HG GLN 15 -1.147 5.919 -15.138 106 HE21 GLN 15 2HE2 GLN 15 -2.318 7.532 -13.320 107 HE22 GLN 15 1HE2 GLN 15 -3.335 6.651 -12.211 108 H LEU 16 H LEU 16 0.732 2.182 -16.358 109 HA LEU 16 HA LEU 16 2.473 0.473 -14.840 110 HB2 LEU 16 1HB LEU 16 1.132 0.174 -17.544 111 HB3 LEU 16 2HB LEU 16 1.976 -1.116 -16.725 112 HG LEU 16 HG LEU 16 -0.527 0.233 -15.639 113 HD11 LEU 16 1HD1 LEU 16 -1.588 -1.871 -16.505 114 HD12 LEU 16 2HD1 LEU 16 -0.048 -2.227 -17.363 115 HD13 LEU 16 3HD1 LEU 16 -1.015 -0.758 -17.755 116 HD21 LEU 16 3HD2 LEU 16 0.768 -0.850 -13.906 117 HD22 LEU 16 1HD2 LEU 16 0.907 -2.339 -14.886 118 HD23 LEU 16 2HD2 LEU 16 -0.674 -1.799 -14.284 119 H GLU 17 H GLU 17 2.781 2.182 -17.968 120 HA GLU 17 HA GLU 17 5.352 1.076 -18.646 121 HB2 GLU 17 1HB GLU 17 3.833 3.560 -19.456 122 HB3 GLU 17 2HB GLU 17 5.419 3.129 -20.122 123 HG2 GLU 17 1HG GLU 17 4.523 1.042 -20.984 124 HG3 GLU 17 2HG GLU 17 2.978 1.385 -20.259 125 HE2 GLU 17 HE2 GLU 17 4.589 1.432 -22.839 126 H ASN 18 H ASN 18 4.493 3.775 -16.519 127 HA ASN 18 HA ASN 18 7.131 4.915 -16.358 128 HB2 ASN 18 1HB ASN 18 4.676 4.884 -14.645 129 HB3 ASN 18 2HB ASN 18 6.215 5.411 -13.924 130 HD21 ASN 18 2HD2 ASN 18 3.743 6.819 -14.542 131 HD22 ASN 18 1HD2 ASN 18 4.205 8.169 -15.545 132 H TYR 19 H TYR 19 5.779 1.951 -15.212 133 HA TYR 19 HA TYR 19 7.780 1.599 -13.043 134 HB2 TYR 19 1HB TYR 19 5.705 -0.373 -14.110 135 HB3 TYR 19 2HB TYR 19 6.703 -0.513 -12.649 136 HD1 TYR 19 HD2 TYR 19 6.237 2.662 -11.954 137 HD2 TYR 19 HD1 TYR 19 3.650 -0.729 -12.823 138 HE1 TYR 19 HE2 TYR 19 4.367 3.819 -10.739 139 HE2 TYR 19 HE1 TYR 19 1.777 0.485 -11.610 140 HH TYR 19 HH TYR 19 2.048 3.674 -10.160 141 H CYS 20 H CYS 20 7.521 1.074 -16.458 142 HA CYS 20 HA CYS 20 9.344 -1.212 -16.536 143 HB2 CYS 20 1HB CYS 20 8.708 0.753 -18.785 144 HB3 CYS 20 2HB CYS 20 9.443 -0.867 -18.930 145 H ASN 21 H ASN 21 11.526 -1.183 -17.255 146 HA ASN 21 HA ASN 21 13.052 1.061 -16.461 147 HB2 ASN 21 1HB ASN 21 14.063 -1.226 -16.733 148 HB3 ASN 21 2HB ASN 21 13.800 -1.110 -18.465 149 HD21 ASN 21 2HD2 ASN 21 16.013 -0.547 -15.894 150 HD22 ASN 21 1HD2 ASN 21 17.129 0.362 -16.799 151 HXT ASN 21 H02 ASN 21 12.972 2.754 -17.247 152 H1 PHE 1 2H0 PHE 1 -5.860 -4.010 -25.897 153 H2 PHE 1 1H0 PHE 1 -5.228 -2.514 -25.949 154 HA PHE 1 HA PHE 1 -4.984 -4.385 -23.730 155 HB2 PHE 1 1HB PHE 1 -3.066 -2.721 -24.167 156 HB3 PHE 1 2HB PHE 1 -4.214 -1.460 -23.904 157 HD1 PHE 1 HD1 PHE 1 -5.071 -1.036 -21.645 158 HD2 PHE 1 HD2 PHE 1 -2.264 -4.216 -22.365 159 HE1 PHE 1 HE1 PHE 1 -4.650 -1.230 -19.237 160 HE2 PHE 1 HE2 PHE 1 -1.841 -4.374 -19.970 161 HZ PHE 1 HZ PHE 1 -3.022 -2.871 -18.353 162 H VAL 2 H VAL 2 -6.285 -4.244 -22.027 163 HA VAL 2 HA VAL 2 -8.689 -2.436 -22.413 164 HB VAL 2 HB VAL 2 -8.658 -5.206 -21.071 165 HG11 VAL 2 1HG1 VAL 2 -11.150 -4.886 -20.939 166 HG12 VAL 2 2HG1 VAL 2 -10.229 -3.767 -19.905 167 HG13 VAL 2 3HG1 VAL 2 -10.906 -3.209 -21.469 168 HG21 VAL 2 3HG2 VAL 2 -8.679 -5.226 -23.649 169 HG22 VAL 2 1HG2 VAL 2 -10.121 -5.988 -22.890 170 HG23 VAL 2 2HG2 VAL 2 -10.204 -4.334 -23.589 171 H ASN 3 H ASN 3 -8.910 -0.970 -20.851 172 HA ASN 3 HA ASN 3 -7.144 -1.063 -18.493 173 HB2 ASN 3 1HB ASN 3 -8.166 1.002 -17.824 174 HB3 ASN 3 2HB ASN 3 -7.831 1.122 -19.545 175 HD21 ASN 3 2HD2 ASN 3 -10.138 1.488 -17.169 176 HD22 ASN 3 1HD2 ASN 3 -11.533 1.672 -18.174 177 H GLN 4 H GLN 4 -7.612 -1.903 -16.564 178 HA GLN 4 HA GLN 4 -10.374 -2.482 -15.621 179 HB2 GLN 4 1HB GLN 4 -10.094 -4.931 -15.643 180 HB3 GLN 4 2HB GLN 4 -10.041 -4.312 -17.279 181 HG2 GLN 4 1HG GLN 4 -7.561 -4.479 -17.223 182 HG3 GLN 4 2HG GLN 4 -7.621 -5.050 -15.563 183 HE21 GLN 4 2HE2 GLN 4 -8.572 -5.768 -18.903 184 HE22 GLN 4 1HE2 GLN 4 -8.531 -7.525 -18.693 185 H HIS 5 H HIS 5 -10.218 -3.942 -13.512 186 HA HIS 5 HA HIS 5 -8.148 -2.744 -11.880 187 HB2 HIS 5 1HB HIS 5 -10.280 -4.859 -11.288 188 HB3 HIS 5 2HB HIS 5 -9.159 -4.169 -10.087 189 HD1 HIS 5 HD1 HIS 5 -9.315 -1.431 -9.837 190 HD2 HIS 5 HD2 HIS 5 -12.619 -3.463 -11.492 191 HE1 HIS 5 HE1 HIS 5 -11.357 0.039 -9.472 192 HE2 HIS 5 HE2 HIS 5 -13.318 -1.118 -10.645 193 H LEU 6 H LEU 6 -6.465 -3.722 -10.821 194 HA LEU 6 HA LEU 6 -5.651 -6.442 -11.855 195 HB2 LEU 6 1HB LEU 6 -3.835 -4.077 -11.481 196 HB3 LEU 6 2HB LEU 6 -3.366 -5.652 -12.086 197 HG LEU 6 HG LEU 6 -5.175 -3.705 -13.545 198 HD11 LEU 6 1HD1 LEU 6 -2.256 -4.290 -14.163 199 HD12 LEU 6 2HD1 LEU 6 -2.764 -2.950 -13.057 200 HD13 LEU 6 3HD1 LEU 6 -3.293 -2.959 -14.757 201 HD21 LEU 6 3HD2 LEU 6 -4.723 -5.053 -15.544 202 HD22 LEU 6 1HD2 LEU 6 -5.446 -6.062 -14.300 203 HD23 LEU 6 2HD2 LEU 6 -3.661 -6.134 -14.620 204 H CYS 7 H CYS 7 -5.450 -7.697 -10.031 205 HA CYS 7 HA CYS 7 -4.670 -6.355 -7.455 206 HB2 CYS 7 1HB CYS 7 -7.190 -6.967 -7.863 207 HB3 CYS 7 2HB CYS 7 -6.643 -8.604 -7.376 208 H GLY 8 H GLY 8 -5.033 -9.460 -9.186 209 HA2 GLY 8 1HA GLY 8 -3.175 -10.692 -7.235 210 HA3 GLY 8 2HA GLY 8 -4.131 -11.571 -8.478 211 H SER 9 H SER 9 -2.455 -12.662 -9.570 212 HA SER 9 HA SER 9 -0.036 -11.391 -10.394 213 HB2 SER 9 1HB SER 9 -1.500 -13.690 -11.788 214 HB3 SER 9 2HB SER 9 0.261 -13.287 -11.932 215 HG SER 9 HG SER 9 0.038 -14.908 -10.462 216 H HIS 10 H HIS 10 -3.141 -10.631 -11.437 217 HA HIS 10 HA HIS 10 -2.677 -10.039 -14.167 218 HB2 HIS 10 1HB HIS 10 -4.455 -9.052 -12.009 219 HB3 HIS 10 2HB HIS 10 -4.257 -7.974 -13.386 220 HD1 HIS 10 HD1 HIS 10 -6.243 -8.238 -14.899 221 HD2 HIS 10 HD2 HIS 10 -4.873 -11.905 -13.319 222 HE1 HIS 10 HE1 HIS 10 -7.709 -10.004 -15.881 223 HE2 HIS 10 HE2 HIS 10 -6.887 -12.238 -14.943 224 H LEU 11 H LEU 11 -1.384 -8.418 -11.216 225 HA LEU 11 HA LEU 11 -0.820 -5.910 -12.552 226 HB2 LEU 11 1HB LEU 11 -0.226 -7.245 -10.025 227 HB3 LEU 11 2HB LEU 11 1.248 -6.559 -10.697 228 HG LEU 11 HG LEU 11 0.514 -4.925 -9.285 229 HD11 LEU 11 1HD1 LEU 11 0.805 -3.996 -11.577 230 HD12 LEU 11 2HD1 LEU 11 -0.249 -3.063 -10.512 231 HD13 LEU 11 3HD1 LEU 11 -0.985 -4.082 -11.780 232 HD21 LEU 11 3HD2 LEU 11 -1.590 -6.081 -8.686 233 HD22 LEU 11 1HD2 LEU 11 -2.351 -5.402 -10.139 234 HD23 LEU 11 2HD2 LEU 11 -1.809 -4.352 -8.829 235 H VAL 12 H VAL 12 1.220 -8.773 -11.887 236 HA VAL 12 HA VAL 12 3.469 -7.643 -13.305 237 HB VAL 12 HB VAL 12 4.432 -9.904 -12.980 238 HG11 VAL 12 1HG1 VAL 12 4.876 -8.143 -11.316 239 HG12 VAL 12 2HG1 VAL 12 3.316 -8.479 -10.516 240 HG13 VAL 12 3HG1 VAL 12 4.606 -9.675 -10.498 241 HG21 VAL 12 3HG2 VAL 12 2.231 -11.190 -12.952 242 HG22 VAL 12 1HG2 VAL 12 3.376 -11.542 -11.612 243 HG23 VAL 12 2HG2 VAL 12 1.930 -10.510 -11.348 244 H GLU 13 H GLU 13 0.923 -9.877 -14.123 245 HA GLU 13 HA GLU 13 2.024 -10.674 -16.673 246 HB2 GLU 13 1HB GLU 13 -0.848 -10.425 -15.633 247 HB3 GLU 13 2HB GLU 13 -0.469 -10.958 -17.239 248 HG2 GLU 13 1HG GLU 13 0.761 -12.897 -16.471 249 HG3 GLU 13 2HG GLU 13 0.622 -12.356 -14.797 250 HE2 GLU 13 HE2 GLU 13 -2.040 -11.466 -16.106 251 H ALA 14 H ALA 14 -0.068 -7.912 -15.647 252 HA ALA 14 HA ALA 14 -0.339 -6.920 -18.280 253 HB1 ALA 14 3HB ALA 14 -1.772 -6.122 -16.558 254 HB2 ALA 14 1HB ALA 14 -0.409 -5.422 -15.669 255 HB3 ALA 14 2HB ALA 14 -0.914 -4.751 -17.265 256 H LEU 15 H LEU 15 2.008 -6.214 -15.755 257 HA LEU 15 HA LEU 15 3.571 -4.347 -17.292 258 HB2 LEU 15 1HB LEU 15 4.356 -6.196 -15.037 259 HB3 LEU 15 2HB LEU 15 5.426 -4.933 -15.674 260 HG LEU 15 HG LEU 15 2.776 -4.462 -14.227 261 HD11 LEU 15 1HD1 LEU 15 4.204 -3.546 -12.474 262 HD12 LEU 15 2HD1 LEU 15 5.628 -4.064 -13.383 263 HD13 LEU 15 3HD1 LEU 15 4.497 -5.272 -12.725 264 HD21 LEU 15 3HD2 LEU 15 3.581 -2.062 -14.339 265 HD22 LEU 15 1HD2 LEU 15 3.144 -2.752 -15.922 266 HD23 LEU 15 2HD2 LEU 15 4.882 -2.615 -15.451 267 H TYR 16 H TYR 16 3.937 -7.892 -16.992 268 HA TYR 16 HA TYR 16 6.387 -8.023 -18.453 269 HB2 TYR 16 1HB TYR 16 5.578 -10.040 -17.418 270 HB3 TYR 16 2HB TYR 16 3.997 -9.978 -18.216 271 HD1 TYR 16 HD2 TYR 16 7.703 -10.207 -19.148 272 HD2 TYR 16 HD1 TYR 16 3.632 -11.276 -20.056 273 HE1 TYR 16 HE2 TYR 16 8.520 -11.615 -21.015 274 HE2 TYR 16 HE1 TYR 16 4.469 -12.642 -21.976 275 HH TYR 16 HH TYR 16 6.090 -13.445 -23.097 276 H LEU 17 H LEU 17 2.959 -7.950 -19.486 277 HA LEU 17 HA LEU 17 3.659 -8.215 -22.299 278 HB2 LEU 17 1HB LEU 17 1.129 -7.133 -21.007 279 HB3 LEU 17 2HB LEU 17 1.354 -7.434 -22.725 280 HG LEU 17 HG LEU 17 1.475 -9.678 -20.692 281 HD11 LEU 17 1HD1 LEU 17 -0.929 -8.563 -22.270 282 HD12 LEU 17 2HD1 LEU 17 -0.765 -8.545 -20.517 283 HD13 LEU 17 3HD1 LEU 17 -0.962 -10.069 -21.359 284 HD21 LEU 17 3HD2 LEU 17 2.468 -9.939 -22.988 285 HD22 LEU 17 1HD2 LEU 17 0.828 -9.749 -23.643 286 HD23 LEU 17 2HD2 LEU 17 1.197 -11.090 -22.571 287 H VAL 18 H VAL 18 3.132 -5.355 -20.199 288 HA VAL 18 HA VAL 18 3.017 -3.696 -22.610 289 HB VAL 18 HB VAL 18 1.800 -3.261 -20.287 290 HG11 VAL 18 1HG1 VAL 18 3.971 -3.205 -19.021 291 HG12 VAL 18 2HG1 VAL 18 4.286 -1.617 -19.760 292 HG13 VAL 18 3HG1 VAL 18 2.856 -1.882 -18.716 293 HG21 VAL 18 3HG2 VAL 18 1.740 -1.901 -22.381 294 HG22 VAL 18 1HG2 VAL 18 1.496 -0.983 -20.878 295 HG23 VAL 18 2HG2 VAL 18 3.070 -0.939 -21.735 296 H CYS 19 H CYS 19 5.479 -4.509 -20.178 297 HA CYS 19 HA CYS 19 7.279 -2.454 -21.127 298 HB2 CYS 19 1HB CYS 19 7.896 -4.791 -19.405 299 HB3 CYS 19 2HB CYS 19 8.900 -3.398 -19.614 300 H GLY 20 H GLY 20 7.014 -6.017 -21.699 301 HA2 GLY 20 1HA GLY 20 8.160 -7.337 -23.276 302 HA3 GLY 20 2HA GLY 20 8.633 -5.829 -24.142 303 H GLU 21 H GLU 21 9.525 -7.935 -21.472 304 HA GLU 21 HA GLU 21 11.476 -8.466 -20.426 305 HB2 GLU 21 1HB GLU 21 12.906 -7.258 -22.809 306 HB3 GLU 21 2HB GLU 21 13.648 -8.249 -21.517 307 HG2 GLU 21 1HG GLU 21 12.083 -10.053 -22.068 308 HG3 GLU 21 2HG GLU 21 11.474 -9.111 -23.426 309 HE2 GLU 21 HE2 GLU 21 12.279 -11.270 -24.040 310 H ARG 22 H ARG 22 11.064 -5.181 -21.232 311 HA ARG 22 HA ARG 22 13.210 -4.173 -19.522 312 HB2 ARG 22 1HB ARG 22 10.802 -2.729 -20.754 313 HB3 ARG 22 2HB ARG 22 12.205 -1.985 -20.104 314 HG2 ARG 22 1HG ARG 22 13.586 -3.055 -21.895 315 HG3 ARG 22 2HG ARG 22 12.075 -3.683 -22.585 316 HD2 ARG 22 1HD ARG 22 12.572 -1.657 -23.762 317 HD3 ARG 22 2HD ARG 22 11.180 -1.365 -22.669 318 HE ARG 22 HE ARG 22 12.534 -0.088 -21.191 319 HH11 ARG 22 1HH1 ARG 22 14.419 -1.189 -24.041 320 HH12 ARG 22 2HH1 ARG 22 15.697 -0.093 -23.653 321 HH21 ARG 22 1HH2 ARG 22 14.259 1.223 -20.843 322 HH22 ARG 22 2HH2 ARG 22 15.613 1.245 -21.922 323 H GLY 23 H GLY 23 10.805 -5.917 -18.582 324 HA2 GLY 23 1HA GLY 23 9.209 -4.124 -16.942 325 HA3 GLY 23 2HA GLY 23 9.133 -5.848 -16.969 326 H PHE 24 H PHE 24 8.524 -5.613 -14.884 327 HA PHE 24 HA PHE 24 10.157 -4.644 -12.786 328 HB2 PHE 24 1HB PHE 24 8.636 -5.988 -11.311 329 HB3 PHE 24 2HB PHE 24 7.721 -5.027 -12.516 330 HD1 PHE 24 HD2 PHE 24 6.851 -6.188 -14.632 331 HD2 PHE 24 HD1 PHE 24 8.538 -8.433 -11.311 332 HE1 PHE 24 HE2 PHE 24 5.910 -8.260 -15.501 333 HE2 PHE 24 HE1 PHE 24 7.618 -10.470 -12.237 334 HZ PHE 24 HZ PHE 24 6.273 -10.452 -14.330 335 H PHE 25 H PHE 25 10.835 -6.226 -11.011 336 HA PHE 25 HA PHE 25 12.261 -8.575 -12.224 337 HB2 PHE 25 1HB PHE 25 13.642 -6.574 -11.176 338 HB3 PHE 25 2HB PHE 25 13.156 -7.295 -9.614 339 HD1 PHE 25 HD1 PHE 25 13.539 -9.987 -9.632 340 HD2 PHE 25 HD2 PHE 25 15.688 -7.157 -11.987 341 HE1 PHE 25 HE1 PHE 25 15.358 -11.609 -9.838 342 HE2 PHE 25 HE2 PHE 25 17.531 -8.813 -12.227 343 HZ PHE 25 HZ PHE 25 17.355 -11.097 -11.222 344 H NVA 26 H ARX 26 11.706 -10.423 -11.607 345 HA NVA 26 HA ARX 26 10.662 -11.071 -8.907 346 HB2 NVA 26 1HB ARX 26 8.618 -10.712 -10.524 347 HB3 NVA 26 2HB ARX 26 9.123 -12.229 -11.326 348 HG2 NVA 26 1HG ARX 26 9.018 -13.306 -8.905 349 HG3 NVA 26 2HG ARX 26 8.318 -11.750 -8.319 350 HD2 NVA 26 1HD ARX 26 6.283 -12.632 -8.881 351 HD3 NVA 26 2HD ARX 26 6.723 -12.266 -10.553 352 H THR 27 H THR 27 11.426 -12.805 -8.189 353 HA THR 27 HA THR 27 13.392 -14.374 -9.652 354 HB THR 27 HB THR 27 13.332 -15.796 -7.508 355 HG1 THR 27 HG1 THR 27 11.633 -15.493 -6.297 356 HG21 THR 27 1HG2 THR 27 14.928 -13.811 -7.676 357 HG22 THR 27 2HG2 THR 27 14.315 -14.034 -6.034 358 HG23 THR 27 3HG2 THR 27 13.662 -12.780 -7.048 359 HA PRO 28 HA PRO 28 10.820 -17.132 -11.446 360 HB2 PRO 28 1HB PRO 28 11.803 -19.728 -11.185 361 HB3 PRO 28 2HB PRO 28 12.567 -18.488 -12.174 362 HG2 PRO 28 1HG PRO 28 13.280 -19.281 -9.368 363 HG3 PRO 28 2HG PRO 28 14.315 -19.016 -10.802 364 HD2 PRO 28 1HD PRO 28 14.035 -17.102 -8.895 365 HD3 PRO 28 2HD PRO 28 14.250 -16.708 -10.619 366 H HIX 29 H HIX 29 8.737 -17.542 -10.851 367 HA HIX 29 HA HIX 29 7.884 -18.181 -8.273 368 HB1 HIX 29 1HB HIX 29 6.117 -18.509 -10.634 369 HB2 HIX 29 2HB HIX 29 5.684 -18.130 -8.984 370 HD2 HIX 29 HD2 HIX 29 7.279 -15.447 -8.243 371 HD1 HIX 29 HD1 HIX 29 5.915 -16.339 -12.182 372 H THR 30 H THR 30 8.757 -19.826 -7.319 373 HA THR 30 HA THR 30 8.857 -22.359 -8.707 374 HB THR 30 HB THR 30 9.846 -21.904 -5.872 375 HG1 THR 30 HG1 THR 30 10.532 -20.481 -7.798 376 HG21 THR 30 1HG2 THR 30 11.413 -23.703 -6.679 377 HG22 THR 30 2HG2 THR 30 10.424 -23.882 -8.143 378 HG23 THR 30 3HG2 THR 30 9.752 -24.268 -6.549 379 HXT THR 30 H02 THR 30 7.268 -21.233 -5.974
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