NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
652570 | 6szf | 34440 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASP 1 H ASP 1 1.630 1.717 -6.044 2 HA ASP 1 HA ASP 1 0.716 0.346 -8.488 3 HB2 ASP 1 2HB ASP 1 2.769 1.905 -8.626 4 HB3 ASP 1 3HB ASP 1 3.611 0.646 -7.727 5 H ALA 2 H ALA 2 3.186 -0.174 -5.968 6 HA ALA 2 HA ALA 2 2.317 -2.983 -5.827 7 HB1 ALA 2 1HB ALA 2 4.860 -1.879 -6.149 8 HB2 ALA 2 2HB ALA 2 4.814 -2.468 -4.487 9 HB3 ALA 2 3HB ALA 2 4.461 -3.565 -5.821 10 H GLU 3 H GLU 3 3.175 -0.167 -3.870 11 HA GLU 3 HA GLU 3 2.896 -1.316 -1.339 12 HB2 GLU 3 2HB GLU 3 2.895 1.418 -2.448 13 HB3 GLU 3 3HB GLU 3 2.071 1.238 -0.906 14 HG2 GLU 3 2HG GLU 3 4.215 0.006 -0.167 15 HG3 GLU 3 3HG GLU 3 4.947 0.780 -1.571 16 H PHE 4 H PHE 4 0.496 0.462 -3.279 17 HA PHE 4 HA PHE 4 -1.647 0.280 -1.524 18 HB2 PHE 4 2HB PHE 4 -1.239 1.028 -4.258 19 HB3 PHE 4 3HB PHE 4 -2.679 0.020 -4.155 20 HD1 PHE 4 HD1 PHE 4 -1.121 3.160 -3.080 21 HD2 PHE 4 HD2 PHE 4 -4.652 0.785 -3.034 22 HE1 PHE 4 HE1 PHE 4 -2.410 5.098 -2.280 23 HE2 PHE 4 HE2 PHE 4 -5.947 2.718 -2.235 24 HZ PHE 4 HZ PHE 4 -4.826 4.879 -1.858 25 H ARG 5 H ARG 5 -0.359 -2.082 -3.763 26 HA ARG 5 HA ARG 5 -2.557 -3.925 -3.203 27 HB2 ARG 5 2HB ARG 5 -0.388 -3.782 -5.245 28 HB3 ARG 5 3HB ARG 5 -1.034 -5.365 -4.832 29 HG2 ARG 5 2HG ARG 5 -2.160 -4.445 -6.772 30 HG3 ARG 5 3HG ARG 5 -3.279 -4.607 -5.417 31 HD2 ARG 5 2HD ARG 5 -3.482 -2.350 -5.135 32 HD3 ARG 5 3HD ARG 5 -1.860 -2.020 -5.743 33 HE ARG 5 HE ARG 5 -2.721 -1.846 -7.863 34 HH11 ARG 5 1HH1 ARG 5 -5.094 -3.287 -5.762 35 HH12 ARG 5 2HH1 ARG 5 -6.372 -3.198 -6.928 36 HH21 ARG 5 1HH2 ARG 5 -4.395 -1.724 -9.407 37 HH22 ARG 5 2HH2 ARG 5 -5.973 -2.309 -9.002 38 H HIS 6 H HIS 6 -0.428 -3.115 -1.242 39 HA HIS 6 HA HIS 6 0.812 -5.734 -0.752 40 HB2 HIS 6 2HB HIS 6 2.037 -3.345 -0.795 41 HB3 HIS 6 3HB HIS 6 1.558 -3.380 0.900 42 HD1 HIS 6 HD1 HIS 6 4.532 -3.594 -0.259 43 HD2 HIS 6 HD2 HIS 6 2.193 -6.714 1.175 44 HE1 HIS 6 HE1 HIS 6 6.154 -5.387 0.434 45 H ASP 7 H ASP 7 -1.999 -5.055 -0.197 46 HA ASP 7 HA ASP 7 -2.075 -5.052 2.728 47 HB2 ASP 7 2HB ASP 7 -3.943 -4.298 0.585 48 HB3 ASP 7 3HB ASP 7 -4.689 -5.159 1.927 49 H SER 8 H SER 8 -1.994 -6.947 3.720 50 HA SER 8 HA SER 8 -2.447 -9.420 2.390 51 HB2 SER 8 2HB SER 8 -2.557 -9.617 5.285 52 HB3 SER 8 3HB SER 8 -1.362 -10.268 4.164 53 HG SER 8 HG SER 8 -0.321 -8.801 5.459 54 H GLY 9 H GLY 9 -4.483 -7.212 4.051 55 HA2 GLY 9 2HA GLY 9 -6.639 -9.235 4.091 56 HA3 GLY 9 3HA GLY 9 -6.521 -7.926 5.257 57 H TYR 10 H TYR 10 -5.773 -5.922 3.300 58 HA TYR 10 HA TYR 10 -8.431 -5.259 2.395 59 HB2 TYR 10 2HB TYR 10 -6.275 -3.773 3.233 60 HB3 TYR 10 3HB TYR 10 -6.241 -3.529 1.491 61 HD1 TYR 10 HD1 TYR 10 -8.660 -3.014 0.453 62 HD2 TYR 10 HD2 TYR 10 -7.509 -2.283 4.484 63 HE1 TYR 10 HE1 TYR 10 -10.442 -1.331 0.650 64 HE2 TYR 10 HE2 TYR 10 -9.289 -0.599 4.692 65 HH TYR 10 HH TYR 10 -10.942 0.667 2.039 66 H GLU 11 H GLU 11 -5.582 -6.644 1.050 67 HA GLU 11 HA GLU 11 -6.701 -6.357 -1.661 68 HB2 GLU 11 2HB GLU 11 -4.310 -5.462 -0.988 69 HB3 GLU 11 3HB GLU 11 -3.856 -7.147 -1.204 70 HG2 GLU 11 2HG GLU 11 -5.281 -5.535 -3.302 71 HG3 GLU 11 3HG GLU 11 -3.526 -5.674 -3.200 72 H VAL 12 H VAL 12 -8.042 -8.225 -0.694 73 HA VAL 12 HA VAL 12 -6.832 -10.708 -1.644 74 HB VAL 12 HB VAL 12 -8.452 -11.140 0.754 75 HG11 VAL 12 1HG1 VAL 12 -5.645 -12.072 0.401 76 HG12 VAL 12 2HG1 VAL 12 -7.041 -12.921 1.066 77 HG13 VAL 12 3HG1 VAL 12 -6.891 -12.697 -0.677 78 HG21 VAL 12 1HG2 VAL 12 -7.350 -9.090 1.471 79 HG22 VAL 12 2HG2 VAL 12 -6.704 -10.479 2.343 80 HG23 VAL 12 3HG2 VAL 12 -5.781 -9.760 1.023 81 H HIS 13 H HIS 13 -8.988 -12.344 -0.700 82 HA HIS 13 HA HIS 13 -10.739 -12.303 -2.798 83 HB2 HIS 13 2HB HIS 13 -11.202 -14.209 -1.701 84 HB3 HIS 13 3HB HIS 13 -10.673 -13.542 -0.160 85 HD1 HIS 13 HD1 HIS 13 -13.702 -14.223 -2.187 86 HD2 HIS 13 HD2 HIS 13 -12.724 -12.324 1.376 87 HE1 HIS 13 HE1 HIS 13 -15.886 -13.869 -0.993 88 H HIS 14 H HIS 14 -10.753 -10.275 0.012 89 HA HIS 14 HA HIS 14 -13.315 -9.412 0.279 90 HB2 HIS 14 2HB HIS 14 -10.956 -8.548 1.251 91 HB3 HIS 14 3HB HIS 14 -11.305 -7.236 0.129 92 HD1 HIS 14 HD1 HIS 14 -14.483 -7.441 0.683 93 HD2 HIS 14 HD2 HIS 14 -11.456 -6.948 3.485 94 HE1 HIS 14 HE1 HIS 14 -15.581 -6.373 2.678 95 H GLN 15 H GLN 15 -11.112 -8.673 -2.347 96 HA GLN 15 HA GLN 15 -13.238 -7.104 -3.646 97 HB2 GLN 15 2HB GLN 15 -10.310 -7.078 -4.371 98 HB3 GLN 15 3HB GLN 15 -11.557 -5.953 -4.892 99 HG2 GLN 15 2HG GLN 15 -11.599 -4.850 -2.871 100 HG3 GLN 15 3HG GLN 15 -10.930 -6.222 -1.990 101 HE21 GLN 15 1HE2 GLN 15 -8.699 -6.848 -3.297 102 HE22 GLN 15 2HE2 GLN 15 -7.584 -5.529 -3.304 103 H LYS 16 H LYS 16 -14.375 -8.664 -4.709 104 HA LYS 16 HA LYS 16 -12.923 -10.095 -6.827 105 HB2 LYS 16 2HB LYS 16 -13.477 -11.608 -4.896 106 HB3 LYS 16 3HB LYS 16 -15.178 -11.300 -5.217 107 HG2 LYS 16 2HG LYS 16 -15.086 -12.390 -7.305 108 HG3 LYS 16 3HG LYS 16 -13.321 -12.418 -7.295 109 HD2 LYS 16 2HD LYS 16 -13.419 -14.447 -6.389 110 HD3 LYS 16 3HD LYS 16 -14.120 -13.718 -4.943 111 HE2 LYS 16 2HE LYS 16 -15.951 -14.227 -7.212 112 HE3 LYS 16 3HE LYS 16 -15.339 -15.639 -6.352 113 HZ1 LYS 16 1HZ LYS 16 -16.556 -13.346 -4.934 114 HZ2 LYS 16 2HZ LYS 16 -16.288 -14.913 -4.356 115 HZ3 LYS 16 3HZ LYS 16 -17.487 -14.633 -5.517 116 H LEU 17 H LEU 17 -15.088 -7.798 -6.210 117 HA LEU 17 HA LEU 17 -16.688 -8.435 -8.600 118 HB2 LEU 17 2HB LEU 17 -18.471 -6.984 -7.502 119 HB3 LEU 17 3HB LEU 17 -18.234 -8.611 -6.867 120 HG LEU 17 HG LEU 17 -16.795 -6.376 -5.535 121 HD11 LEU 17 1HD1 LEU 17 -19.623 -6.352 -5.926 122 HD12 LEU 17 2HD1 LEU 17 -18.616 -5.226 -5.017 123 HD13 LEU 17 3HD1 LEU 17 -19.272 -6.659 -4.225 124 HD21 LEU 17 1HD2 LEU 17 -17.705 -7.858 -3.568 125 HD22 LEU 17 2HD2 LEU 17 -16.308 -8.371 -4.514 126 HD23 LEU 17 3HD2 LEU 17 -17.899 -9.057 -4.846 127 H VAL 18 H VAL 18 -15.121 -5.968 -6.647 128 HA VAL 18 HA VAL 18 -15.768 -3.764 -8.314 129 HB VAL 18 HB VAL 18 -14.984 -3.597 -5.933 130 HG11 VAL 18 1HG1 VAL 18 -12.634 -3.677 -5.440 131 HG12 VAL 18 2HG1 VAL 18 -13.106 -5.207 -6.183 132 HG13 VAL 18 3HG1 VAL 18 -12.246 -3.993 -7.131 133 HG21 VAL 18 1HG2 VAL 18 -14.902 -1.776 -7.830 134 HG22 VAL 18 2HG2 VAL 18 -14.206 -1.462 -6.240 135 HG23 VAL 18 3HG2 VAL 18 -13.161 -1.919 -7.585 136 H PHE 19 H PHE 19 -13.698 -6.381 -8.762 137 HA PHE 19 HA PHE 19 -11.720 -5.008 -10.352 138 HB2 PHE 19 2HB PHE 19 -11.472 -7.216 -8.964 139 HB3 PHE 19 3HB PHE 19 -12.118 -7.978 -10.414 140 HD1 PHE 19 HD1 PHE 19 -9.411 -5.715 -9.250 141 HD2 PHE 19 HD2 PHE 19 -10.708 -8.526 -12.171 142 HE1 PHE 19 HE1 PHE 19 -7.161 -5.713 -10.246 143 HE2 PHE 19 HE2 PHE 19 -8.461 -8.529 -13.171 144 HZ PHE 19 HZ PHE 19 -6.683 -7.122 -12.209 145 H PHE 20 H PHE 20 -14.019 -4.253 -11.428 146 HA PHE 20 HA PHE 20 -13.829 -4.942 -14.114 147 HB2 PHE 20 2HB PHE 20 -15.112 -6.972 -12.713 148 HB3 PHE 20 3HB PHE 20 -16.432 -6.051 -13.427 149 HD1 PHE 20 HD1 PHE 20 -15.803 -5.313 -15.988 150 HD2 PHE 20 HD2 PHE 20 -14.438 -8.781 -13.931 151 HE1 PHE 20 HE1 PHE 20 -15.423 -6.438 -18.143 152 HE2 PHE 20 HE2 PHE 20 -14.054 -9.910 -16.083 153 HZ PHE 20 HZ PHE 20 -14.546 -8.739 -18.193 154 H ALA 21 H ALA 21 -15.861 -3.839 -11.485 155 HA ALA 21 HA ALA 21 -17.715 -2.373 -13.048 156 HB1 ALA 21 1HB ALA 21 -18.474 -1.430 -11.010 157 HB2 ALA 21 2HB ALA 21 -18.017 -3.096 -10.656 158 HB3 ALA 21 3HB ALA 21 -16.944 -1.772 -10.202 159 H GLU 22 H GLU 22 -14.483 -1.749 -12.012 160 HA GLU 22 HA GLU 22 -14.685 1.115 -12.465 161 HB2 GLU 22 2HB GLU 22 -13.178 -0.243 -10.733 162 HB3 GLU 22 3HB GLU 22 -12.053 -0.222 -12.083 163 HG2 GLU 22 2HG GLU 22 -11.690 1.627 -10.513 164 HG3 GLU 22 3HG GLU 22 -12.085 2.182 -12.138 165 H ASP 23 H ASP 23 -15.420 0.164 -14.756 166 HA ASP 23 HA ASP 23 -13.531 1.084 -16.613 167 HB2 ASP 23 2HB ASP 23 -12.302 -0.944 -16.243 168 HB3 ASP 23 3HB ASP 23 -13.761 -1.920 -16.392 169 H VAL 24 H VAL 24 -16.327 -0.957 -16.003 170 HA VAL 24 HA VAL 24 -17.449 -1.037 -18.544 171 HB VAL 24 HB VAL 24 -18.939 -0.843 -15.922 172 HG11 VAL 24 1HG1 VAL 24 -20.597 -2.265 -17.297 173 HG12 VAL 24 2HG1 VAL 24 -20.548 -0.523 -17.570 174 HG13 VAL 24 3HG1 VAL 24 -19.749 -1.616 -18.700 175 HG21 VAL 24 1HG2 VAL 24 -17.242 -2.897 -17.005 176 HG22 VAL 24 2HG2 VAL 24 -18.052 -2.825 -15.440 177 HG23 VAL 24 3HG2 VAL 24 -18.896 -3.486 -16.840 178 H GLY 25 H GLY 25 -17.253 1.579 -16.271 179 HA2 GLY 25 2HA GLY 25 -19.375 3.177 -17.200 180 HA3 GLY 25 3HA GLY 25 -17.941 3.766 -16.371 181 H SER 26 H SER 26 -16.323 2.449 -18.611 182 HA SER 26 HA SER 26 -16.347 4.794 -20.331 183 HB2 SER 26 2HB SER 26 -14.452 2.464 -20.572 184 HB3 SER 26 3HB SER 26 -14.193 4.144 -21.042 185 HG SER 26 HG SER 26 -14.306 4.646 -18.763 186 H ASN 27 H ASN 27 -18.626 3.560 -20.831 187 HA ASN 27 HA ASN 27 -18.722 1.448 -22.619 188 HB2 ASN 27 2HB ASN 27 -20.658 2.674 -21.474 189 HB3 ASN 27 3HB ASN 27 -20.565 3.827 -22.802 190 HD21 ASN 27 1HD2 ASN 27 -22.881 2.631 -22.545 191 HD22 ASN 27 2HD2 ASN 27 -23.117 1.403 -23.737 192 H LYS 28 H LYS 28 -18.322 4.907 -23.277 193 HA LYS 28 HA LYS 28 -17.468 6.017 -25.072 194 HB2 LYS 28 2HB LYS 28 -16.057 3.610 -25.003 195 HB3 LYS 28 3HB LYS 28 -16.587 3.761 -26.673 196 HG2 LYS 28 2HG LYS 28 -15.241 6.032 -25.259 197 HG3 LYS 28 3HG LYS 28 -14.314 4.742 -26.027 198 HD2 LYS 28 2HD LYS 28 -15.175 5.263 -28.164 199 HD3 LYS 28 3HD LYS 28 -16.443 6.288 -27.486 200 HE2 LYS 28 2HE LYS 28 -13.725 7.101 -26.762 201 HE3 LYS 28 3HE LYS 28 -14.059 7.173 -28.491 202 HZ1 LYS 28 1HZ LYS 28 -14.633 9.148 -26.835 203 HZ2 LYS 28 2HZ LYS 28 -16.086 8.290 -26.726 204 HZ3 LYS 28 3HZ LYS 28 -15.539 8.838 -28.230 205 H GLY 29 H GLY 29 -18.585 6.882 -26.703 206 HA2 GLY 29 2HA GLY 29 -19.748 6.877 -28.749 207 HA3 GLY 29 3HA GLY 29 -20.028 5.153 -28.560 208 H ALA 30 H ALA 30 -20.841 5.986 -25.656 209 HA ALA 30 HA ALA 30 -23.522 6.996 -26.319 210 HB1 ALA 30 1HB ALA 30 -23.171 4.391 -25.857 211 HB2 ALA 30 2HB ALA 30 -23.345 4.946 -24.192 212 HB3 ALA 30 3HB ALA 30 -24.625 5.260 -25.365 213 H ILE 31 H ILE 31 -20.879 7.852 -24.877 214 HA ILE 31 HA ILE 31 -22.275 9.185 -22.672 215 HB ILE 31 HB ILE 31 -19.490 8.315 -22.123 216 HG12 ILE 31 2HG1 ILE 31 -21.867 6.472 -22.201 217 HG13 ILE 31 3HG1 ILE 31 -20.251 6.209 -22.848 218 HG21 ILE 31 1HG2 ILE 31 -20.251 8.292 -19.854 219 HG22 ILE 31 2HG2 ILE 31 -20.835 9.771 -20.615 220 HG23 ILE 31 3HG2 ILE 31 -21.934 8.414 -20.365 221 HD11 ILE 31 1HD1 ILE 31 -21.289 5.828 -20.114 222 HD12 ILE 31 2HD1 ILE 31 -20.086 4.907 -21.017 223 HD13 ILE 31 3HD1 ILE 31 -19.640 6.437 -20.262 224 H ILE 32 H ILE 32 -21.510 10.155 -25.250 225 HA ILE 32 HA ILE 32 -19.087 11.650 -25.068 226 HB ILE 32 HB ILE 32 -19.940 11.097 -27.249 227 HG12 ILE 32 2HG1 ILE 32 -19.889 13.299 -28.317 228 HG13 ILE 32 3HG1 ILE 32 -20.232 14.072 -26.773 229 HG21 ILE 32 1HG2 ILE 32 -22.104 12.667 -27.797 230 HG22 ILE 32 2HG2 ILE 32 -22.169 10.949 -27.406 231 HG23 ILE 32 3HG2 ILE 32 -22.434 12.151 -26.143 232 HD11 ILE 32 1HD1 ILE 32 -17.896 14.280 -27.294 233 HD12 ILE 32 2HD1 ILE 32 -18.094 13.208 -25.907 234 HD13 ILE 32 3HD1 ILE 32 -17.751 12.535 -27.500 235 H GLY 33 H GLY 33 -22.305 12.137 -23.946 236 HA2 GLY 33 2HA GLY 33 -21.784 15.001 -23.498 237 HA3 GLY 33 3HA GLY 33 -23.367 14.238 -23.461 238 H LEU 34 H LEU 34 -21.807 12.019 -21.880 239 HA LEU 34 HA LEU 34 -22.220 13.313 -19.275 240 HB2 LEU 34 2HB LEU 34 -22.929 10.753 -20.363 241 HB3 LEU 34 3HB LEU 34 -21.917 10.540 -18.936 242 HG LEU 34 HG LEU 34 -24.256 12.381 -18.771 243 HD11 LEU 34 1HD1 LEU 34 -25.322 10.530 -19.779 244 HD12 LEU 34 2HD1 LEU 34 -25.615 10.381 -18.047 245 HD13 LEU 34 3HD1 LEU 34 -24.390 9.377 -18.823 246 HD21 LEU 34 1HD2 LEU 34 -22.337 11.292 -17.008 247 HD22 LEU 34 2HD2 LEU 34 -23.899 10.593 -16.578 248 HD23 LEU 34 3HD2 LEU 34 -23.699 12.346 -16.625 249 H MET 35 H MET 35 -19.874 11.747 -21.281 250 HA MET 35 HA MET 35 -17.905 11.939 -19.097 251 HB2 MET 35 2HB MET 35 -18.581 9.653 -20.382 252 HB3 MET 35 3HB MET 35 -17.269 10.213 -21.411 253 HG2 MET 35 2HG MET 35 -16.189 10.538 -18.941 254 HG3 MET 35 3HG MET 35 -17.208 9.122 -18.697 255 HE1 MET 35 1HE MET 35 -16.968 7.824 -21.832 256 HE2 MET 35 2HE MET 35 -15.847 6.584 -21.270 257 HE3 MET 35 3HE MET 35 -17.197 7.081 -20.248 258 H VAL 36 H VAL 36 -18.838 13.866 -21.261 259 HA VAL 36 HA VAL 36 -16.237 14.903 -21.878 260 HB VAL 36 HB VAL 36 -17.784 13.470 -23.956 261 HG11 VAL 36 1HG1 VAL 36 -18.152 15.605 -24.861 262 HG12 VAL 36 2HG1 VAL 36 -16.544 16.169 -24.404 263 HG13 VAL 36 3HG1 VAL 36 -16.730 14.993 -25.706 264 HG21 VAL 36 1HG2 VAL 36 -14.948 13.954 -23.207 265 HG22 VAL 36 2HG2 VAL 36 -15.773 12.444 -23.593 266 HG23 VAL 36 3HG2 VAL 36 -15.311 13.551 -24.885 267 H GLY 37 H GLY 37 -19.721 15.028 -22.449 268 HA2 GLY 37 2HA GLY 37 -19.838 17.706 -23.336 269 HA3 GLY 37 3HA GLY 37 -21.173 16.795 -22.646 270 H GLY 38 H GLY 38 -18.599 19.050 -22.019 271 HA2 GLY 38 2HA GLY 38 -18.685 20.743 -20.394 272 HA3 GLY 38 3HA GLY 38 -19.950 19.851 -19.562 273 H VAL 39 H VAL 39 -17.039 18.238 -20.553 274 HA VAL 39 HA VAL 39 -15.986 18.380 -17.814 275 HB VAL 39 HB VAL 39 -16.220 15.821 -19.401 276 HG11 VAL 39 1HG1 VAL 39 -14.579 16.590 -17.180 277 HG12 VAL 39 2HG1 VAL 39 -15.703 15.322 -16.687 278 HG13 VAL 39 3HG1 VAL 39 -14.624 15.062 -18.058 279 HG21 VAL 39 1HG2 VAL 39 -17.827 16.913 -17.109 280 HG22 VAL 39 2HG2 VAL 39 -18.401 16.322 -18.668 281 HG23 VAL 39 3HG2 VAL 39 -17.761 15.189 -17.477 282 H VAL 40 H VAL 40 -15.176 16.755 -20.887 283 HA VAL 40 HA VAL 40 -12.379 17.411 -20.535 284 HB VAL 40 HB VAL 40 -13.772 15.984 -22.805 285 HG11 VAL 40 1HG1 VAL 40 -11.217 15.155 -22.925 286 HG12 VAL 40 2HG1 VAL 40 -11.844 16.515 -23.858 287 HG13 VAL 40 3HG1 VAL 40 -10.974 16.804 -22.350 288 HG21 VAL 40 1HG2 VAL 40 -12.078 14.779 -20.631 289 HG22 VAL 40 2HG2 VAL 40 -13.833 14.902 -20.519 290 HG23 VAL 40 3HG2 VAL 40 -13.097 13.948 -21.806 291 H ILE 41 H ILE 41 -11.186 18.834 -21.729 292 HA ILE 41 HA ILE 41 -12.555 20.373 -23.820 293 HB ILE 41 HB ILE 41 -10.965 21.615 -21.572 294 HG12 ILE 41 2HG1 ILE 41 -13.480 22.768 -21.628 295 HG13 ILE 41 3HG1 ILE 41 -13.812 21.069 -21.946 296 HG21 ILE 41 1HG2 ILE 41 -12.188 22.747 -24.069 297 HG22 ILE 41 2HG2 ILE 41 -11.844 23.748 -22.659 298 HG23 ILE 41 3HG2 ILE 41 -10.533 22.904 -23.482 299 HD11 ILE 41 1HD1 ILE 41 -12.631 22.345 -19.527 300 HD12 ILE 41 2HD1 ILE 41 -13.943 21.173 -19.657 301 HD13 ILE 41 3HD1 ILE 41 -12.274 20.659 -19.898 302 H ALA 42 H ALA 42 -9.413 20.169 -22.136 303 HA ALA 42 HA ALA 42 -7.272 20.129 -22.913 304 HB1 ALA 42 1HB ALA 42 -7.089 18.166 -23.929 305 HB2 ALA 42 2HB ALA 42 -8.776 18.233 -24.438 306 HB3 ALA 42 3HB ALA 42 -7.520 18.944 -25.452 Start of MODEL 2 1 H1 ASP 1 H ASP 1 6.411 -2.415 -4.746 2 HA ASP 1 HA ASP 1 5.158 -0.850 -3.408 3 HB2 ASP 1 2HB ASP 1 4.807 0.569 -5.511 4 HB3 ASP 1 3HB ASP 1 3.392 -0.435 -5.816 5 H ALA 2 H ALA 2 5.114 -3.483 -3.275 6 HA ALA 2 HA ALA 2 2.375 -4.423 -3.671 7 HB1 ALA 2 1HB ALA 2 3.781 -6.086 -4.398 8 HB2 ALA 2 2HB ALA 2 4.990 -5.759 -3.155 9 HB3 ALA 2 3HB ALA 2 3.495 -6.595 -2.733 10 H GLU 3 H GLU 3 3.219 -2.438 -1.584 11 HA GLU 3 HA GLU 3 2.893 -3.859 0.916 12 HB2 GLU 3 2HB GLU 3 2.867 -0.871 0.495 13 HB3 GLU 3 3HB GLU 3 3.209 -1.743 1.983 14 HG2 GLU 3 2HG GLU 3 5.263 -2.621 1.007 15 HG3 GLU 3 3HG GLU 3 4.920 -1.761 -0.493 16 H PHE 4 H PHE 4 1.082 -1.321 -0.815 17 HA PHE 4 HA PHE 4 -1.143 -1.259 0.855 18 HB2 PHE 4 2HB PHE 4 -0.485 0.271 -1.144 19 HB3 PHE 4 3HB PHE 4 -1.405 -0.876 -2.112 20 HD1 PHE 4 HD1 PHE 4 -1.558 2.006 -0.046 21 HD2 PHE 4 HD2 PHE 4 -3.825 -1.333 -1.398 22 HE1 PHE 4 HE1 PHE 4 -3.637 3.181 0.549 23 HE2 PHE 4 HE2 PHE 4 -5.907 -0.164 -0.806 24 HZ PHE 4 HZ PHE 4 -5.815 2.097 0.168 25 H ARG 5 H ARG 5 -0.284 -3.484 -1.694 26 HA ARG 5 HA ARG 5 -2.899 -4.777 -1.582 27 HB2 ARG 5 2HB ARG 5 -0.644 -4.732 -3.471 28 HB3 ARG 5 3HB ARG 5 -1.393 -6.311 -3.270 29 HG2 ARG 5 2HG ARG 5 -2.385 -5.109 -5.127 30 HG3 ARG 5 3HG ARG 5 -3.567 -5.358 -3.840 31 HD2 ARG 5 2HD ARG 5 -3.651 -3.140 -3.300 32 HD3 ARG 5 3HD ARG 5 -1.993 -2.840 -3.818 33 HE ARG 5 HE ARG 5 -3.277 -3.377 -6.137 34 HH11 ARG 5 1HH1 ARG 5 -3.898 -1.178 -3.511 35 HH12 ARG 5 2HH1 ARG 5 -4.674 0.005 -4.512 36 HH21 ARG 5 1HH2 ARG 5 -4.296 -1.828 -7.465 37 HH22 ARG 5 2HH2 ARG 5 -4.900 -0.367 -6.761 38 H HIS 6 H HIS 6 -0.727 -4.809 0.568 39 HA HIS 6 HA HIS 6 -0.351 -7.719 0.759 40 HB2 HIS 6 2HB HIS 6 1.482 -5.698 1.096 41 HB3 HIS 6 3HB HIS 6 1.010 -6.054 2.755 42 HD1 HIS 6 HD1 HIS 6 3.792 -6.726 1.200 43 HD2 HIS 6 HD2 HIS 6 0.784 -9.365 2.315 44 HE1 HIS 6 HE1 HIS 6 4.897 -8.980 1.351 45 H ASP 7 H ASP 7 -2.834 -6.226 1.370 46 HA ASP 7 HA ASP 7 -3.054 -6.418 4.265 47 HB2 ASP 7 2HB ASP 7 -5.184 -5.702 2.241 48 HB3 ASP 7 3HB ASP 7 -5.269 -5.470 3.985 49 H SER 8 H SER 8 -3.405 -8.342 5.142 50 HA SER 8 HA SER 8 -4.427 -10.560 3.675 51 HB2 SER 8 2HB SER 8 -4.040 -11.835 5.610 52 HB3 SER 8 3HB SER 8 -2.815 -10.569 5.697 53 HG SER 8 HG SER 8 -4.456 -9.421 7.022 54 H GLY 9 H GLY 9 -5.934 -7.946 5.124 55 HA2 GLY 9 2HA GLY 9 -8.472 -9.451 5.301 56 HA3 GLY 9 3HA GLY 9 -8.061 -8.171 6.433 57 H TYR 10 H TYR 10 -6.813 -6.635 4.153 58 HA TYR 10 HA TYR 10 -9.312 -5.423 3.235 59 HB2 TYR 10 2HB TYR 10 -6.951 -4.332 4.212 60 HB3 TYR 10 3HB TYR 10 -6.867 -4.033 2.479 61 HD1 TYR 10 HD1 TYR 10 -9.063 -3.034 1.418 62 HD2 TYR 10 HD2 TYR 10 -8.068 -2.810 5.549 63 HE1 TYR 10 HE1 TYR 10 -10.575 -1.110 1.672 64 HE2 TYR 10 HE2 TYR 10 -9.578 -0.887 5.814 65 HH TYR 10 HH TYR 10 -10.557 0.895 4.377 66 H GLU 11 H GLU 11 -6.604 -7.229 2.099 67 HA GLU 11 HA GLU 11 -7.427 -6.759 -0.689 68 HB2 GLU 11 2HB GLU 11 -4.978 -6.348 0.215 69 HB3 GLU 11 3HB GLU 11 -4.841 -8.087 -0.003 70 HG2 GLU 11 2HG GLU 11 -6.016 -7.056 -2.347 71 HG3 GLU 11 3HG GLU 11 -4.655 -6.012 -1.944 72 H VAL 12 H VAL 12 -8.931 -8.488 0.900 73 HA VAL 12 HA VAL 12 -8.144 -11.154 -0.071 74 HB VAL 12 HB VAL 12 -10.352 -11.049 1.852 75 HG11 VAL 12 1HG1 VAL 12 -7.841 -12.532 2.358 76 HG12 VAL 12 2HG1 VAL 12 -9.520 -13.056 2.504 77 HG13 VAL 12 3HG1 VAL 12 -8.755 -12.974 0.917 78 HG21 VAL 12 1HG2 VAL 12 -9.176 -9.240 2.842 79 HG22 VAL 12 2HG2 VAL 12 -8.779 -10.676 3.786 80 HG23 VAL 12 3HG2 VAL 12 -7.620 -10.041 2.619 81 H HIS 13 H HIS 13 -10.724 -12.308 0.341 82 HA HIS 13 HA HIS 13 -11.871 -12.139 -2.135 83 HB2 HIS 13 2HB HIS 13 -12.945 -13.841 -1.142 84 HB3 HIS 13 3HB HIS 13 -12.663 -13.177 0.464 85 HD1 HIS 13 HD1 HIS 13 -15.214 -13.394 -2.230 86 HD2 HIS 13 HD2 HIS 13 -14.749 -11.554 1.466 87 HE1 HIS 13 HE1 HIS 13 -17.507 -12.584 -1.589 88 H HIS 14 H HIS 14 -12.205 -9.926 0.513 89 HA HIS 14 HA HIS 14 -14.554 -8.628 0.079 90 HB2 HIS 14 2HB HIS 14 -12.333 -8.100 1.567 91 HB3 HIS 14 3HB HIS 14 -12.272 -6.787 0.395 92 HD1 HIS 14 HD1 HIS 14 -15.177 -6.017 0.138 93 HD2 HIS 14 HD2 HIS 14 -13.403 -6.962 3.775 94 HE1 HIS 14 HE1 HIS 14 -16.604 -4.912 1.890 95 H GLN 15 H GLN 15 -11.615 -8.366 -1.844 96 HA GLN 15 HA GLN 15 -13.178 -7.004 -3.921 97 HB2 GLN 15 2HB GLN 15 -11.102 -5.643 -4.434 98 HB3 GLN 15 3HB GLN 15 -11.969 -5.205 -2.968 99 HG2 GLN 15 2HG GLN 15 -9.699 -5.157 -2.397 100 HG3 GLN 15 3HG GLN 15 -10.323 -6.660 -1.719 101 HE21 GLN 15 1HE2 GLN 15 -8.884 -8.211 -1.883 102 HE22 GLN 15 2HE2 GLN 15 -7.846 -8.506 -3.232 103 H LYS 16 H LYS 16 -12.592 -7.475 -6.037 104 HA LYS 16 HA LYS 16 -10.303 -8.786 -6.899 105 HB2 LYS 16 2HB LYS 16 -10.818 -10.708 -5.632 106 HB3 LYS 16 3HB LYS 16 -12.527 -10.622 -6.040 107 HG2 LYS 16 2HG LYS 16 -12.043 -11.267 -8.325 108 HG3 LYS 16 3HG LYS 16 -10.314 -11.283 -7.973 109 HD2 LYS 16 2HD LYS 16 -10.807 -13.512 -7.747 110 HD3 LYS 16 3HD LYS 16 -11.043 -12.963 -6.086 111 HE2 LYS 16 2HE LYS 16 -13.422 -12.840 -6.410 112 HE3 LYS 16 3HE LYS 16 -13.249 -13.193 -8.128 113 HZ1 LYS 16 1HZ LYS 16 -12.683 -15.025 -5.864 114 HZ2 LYS 16 2HZ LYS 16 -12.299 -15.371 -7.474 115 HZ3 LYS 16 3HZ LYS 16 -13.915 -15.173 -7.014 116 H LEU 17 H LEU 17 -13.711 -8.187 -7.256 117 HA LEU 17 HA LEU 17 -13.514 -8.518 -10.165 118 HB2 LEU 17 2HB LEU 17 -15.709 -8.652 -8.195 119 HB3 LEU 17 3HB LEU 17 -16.110 -7.944 -9.758 120 HG LEU 17 HG LEU 17 -16.631 -10.369 -9.565 121 HD11 LEU 17 1HD1 LEU 17 -14.671 -10.560 -11.647 122 HD12 LEU 17 2HD1 LEU 17 -15.422 -8.965 -11.669 123 HD13 LEU 17 3HD1 LEU 17 -16.424 -10.412 -11.771 124 HD21 LEU 17 1HD2 LEU 17 -13.651 -10.781 -9.640 125 HD22 LEU 17 2HD2 LEU 17 -14.915 -12.001 -9.477 126 HD23 LEU 17 3HD2 LEU 17 -14.602 -10.872 -8.157 127 H VAL 18 H VAL 18 -13.859 -6.156 -7.660 128 HA VAL 18 HA VAL 18 -14.879 -4.039 -9.268 129 HB VAL 18 HB VAL 18 -15.011 -4.097 -6.774 130 HG11 VAL 18 1HG1 VAL 18 -13.131 -3.534 -5.425 131 HG12 VAL 18 2HG1 VAL 18 -12.643 -4.871 -6.469 132 HG13 VAL 18 3HG1 VAL 18 -12.129 -3.225 -6.843 133 HG21 VAL 18 1HG2 VAL 18 -15.086 -2.002 -8.338 134 HG22 VAL 18 2HG2 VAL 18 -15.050 -1.802 -6.586 135 HG23 VAL 18 3HG2 VAL 18 -13.573 -1.593 -7.527 136 H PHE 19 H PHE 19 -11.892 -5.559 -9.195 137 HA PHE 19 HA PHE 19 -10.296 -3.234 -9.835 138 HB2 PHE 19 2HB PHE 19 -9.637 -5.562 -8.680 139 HB3 PHE 19 3HB PHE 19 -9.261 -5.972 -10.351 140 HD1 PHE 19 HD1 PHE 19 -8.723 -3.135 -7.983 141 HD2 PHE 19 HD2 PHE 19 -7.105 -5.624 -11.033 142 HE1 PHE 19 HE1 PHE 19 -6.560 -1.981 -7.772 143 HE2 PHE 19 HE2 PHE 19 -4.939 -4.474 -10.827 144 HZ PHE 19 HZ PHE 19 -4.664 -2.651 -9.194 145 H PHE 20 H PHE 20 -12.320 -3.256 -11.598 146 HA PHE 20 HA PHE 20 -11.060 -3.190 -14.086 147 HB2 PHE 20 2HB PHE 20 -11.002 -5.576 -14.107 148 HB3 PHE 20 3HB PHE 20 -12.672 -5.687 -13.560 149 HD1 PHE 20 HD1 PHE 20 -14.112 -6.454 -15.159 150 HD2 PHE 20 HD2 PHE 20 -10.869 -3.962 -16.341 151 HE1 PHE 20 HE1 PHE 20 -14.868 -6.584 -17.497 152 HE2 PHE 20 HE2 PHE 20 -11.621 -4.088 -18.680 153 HZ PHE 20 HZ PHE 20 -13.623 -5.399 -19.261 154 H ALA 21 H ALA 21 -14.045 -3.569 -12.289 155 HA ALA 21 HA ALA 21 -15.801 -2.613 -14.294 156 HB1 ALA 21 1HB ALA 21 -15.976 -3.412 -11.529 157 HB2 ALA 21 2HB ALA 21 -16.950 -1.974 -11.838 158 HB3 ALA 21 3HB ALA 21 -17.212 -3.437 -12.787 159 H GLU 22 H GLU 22 -13.605 -1.045 -12.155 160 HA GLU 22 HA GLU 22 -14.894 1.550 -12.447 161 HB2 GLU 22 2HB GLU 22 -13.564 0.522 -10.366 162 HB3 GLU 22 3HB GLU 22 -12.214 1.292 -11.188 163 HG2 GLU 22 2HG GLU 22 -13.224 2.724 -9.472 164 HG3 GLU 22 3HG GLU 22 -13.307 3.433 -11.084 165 H ASP 23 H ASP 23 -14.365 0.876 -14.900 166 HA ASP 23 HA ASP 23 -12.610 2.836 -15.863 167 HB2 ASP 23 2HB ASP 23 -10.793 1.437 -15.142 168 HB3 ASP 23 3HB ASP 23 -11.519 0.018 -15.891 169 H VAL 24 H VAL 24 -14.220 -0.233 -16.444 170 HA VAL 24 HA VAL 24 -14.307 -0.261 -19.213 171 HB VAL 24 HB VAL 24 -16.501 -1.147 -17.333 172 HG11 VAL 24 1HG1 VAL 24 -17.561 -1.300 -19.340 173 HG12 VAL 24 2HG1 VAL 24 -16.057 -1.448 -20.250 174 HG13 VAL 24 3HG1 VAL 24 -16.699 -2.838 -19.374 175 HG21 VAL 24 1HG2 VAL 24 -14.950 -3.298 -18.363 176 HG22 VAL 24 2HG2 VAL 24 -13.854 -2.108 -17.661 177 HG23 VAL 24 3HG2 VAL 24 -15.155 -2.791 -16.686 178 H GLY 25 H GLY 25 -16.077 1.713 -16.953 179 HA2 GLY 25 2HA GLY 25 -18.234 2.519 -18.525 180 HA3 GLY 25 3HA GLY 25 -17.492 3.493 -17.265 181 H SER 26 H SER 26 -14.882 3.364 -18.770 182 HA SER 26 HA SER 26 -15.388 5.700 -20.406 183 HB2 SER 26 2HB SER 26 -12.855 4.295 -19.548 184 HB3 SER 26 3HB SER 26 -12.859 5.678 -20.642 185 HG SER 26 HG SER 26 -14.096 6.754 -18.900 186 H ASN 27 H ASN 27 -16.681 3.808 -21.677 187 HA ASN 27 HA ASN 27 -15.389 2.084 -23.403 188 HB2 ASN 27 2HB ASN 27 -17.906 2.401 -23.013 189 HB3 ASN 27 3HB ASN 27 -17.815 3.670 -24.232 190 HD21 ASN 27 1HD2 ASN 27 -19.066 0.909 -24.073 191 HD22 ASN 27 2HD2 ASN 27 -18.573 0.148 -25.544 192 H LYS 28 H LYS 28 -16.126 5.519 -23.866 193 HA LYS 28 HA LYS 28 -15.213 7.091 -25.237 194 HB2 LYS 28 2HB LYS 28 -13.118 5.190 -24.819 195 HB3 LYS 28 3HB LYS 28 -13.058 5.731 -26.491 196 HG2 LYS 28 2HG LYS 28 -13.245 7.682 -24.225 197 HG3 LYS 28 3HG LYS 28 -11.697 7.022 -24.756 198 HD2 LYS 28 2HD LYS 28 -11.924 7.969 -26.910 199 HD3 LYS 28 3HD LYS 28 -13.632 8.333 -26.651 200 HE2 LYS 28 2HE LYS 28 -12.545 9.721 -24.620 201 HE3 LYS 28 3HE LYS 28 -11.218 9.795 -25.778 202 HZ1 LYS 28 1HZ LYS 28 -12.321 11.493 -26.666 203 HZ2 LYS 28 2HZ LYS 28 -13.740 11.151 -25.811 204 HZ3 LYS 28 3HZ LYS 28 -13.421 10.359 -27.272 205 H GLY 29 H GLY 29 -15.967 7.722 -27.157 206 HA2 GLY 29 2HA GLY 29 -16.297 7.587 -29.483 207 HA3 GLY 29 3HA GLY 29 -15.954 5.865 -29.410 208 H ALA 30 H ALA 30 -17.930 5.961 -26.985 209 HA ALA 30 HA ALA 30 -20.413 6.047 -28.559 210 HB1 ALA 30 1HB ALA 30 -19.929 3.744 -28.511 211 HB2 ALA 30 2HB ALA 30 -19.440 3.800 -26.817 212 HB3 ALA 30 3HB ALA 30 -21.138 3.997 -27.252 213 H ILE 31 H ILE 31 -18.920 7.571 -26.268 214 HA ILE 31 HA ILE 31 -21.356 8.021 -24.704 215 HB ILE 31 HB ILE 31 -18.799 8.116 -23.199 216 HG12 ILE 31 2HG1 ILE 31 -20.141 5.586 -24.123 217 HG13 ILE 31 3HG1 ILE 31 -18.429 5.995 -24.150 218 HG21 ILE 31 1HG2 ILE 31 -20.200 7.522 -21.351 219 HG22 ILE 31 2HG2 ILE 31 -21.009 8.790 -22.269 220 HG23 ILE 31 3HG2 ILE 31 -21.534 7.115 -22.429 221 HD11 ILE 31 1HD1 ILE 31 -18.403 4.597 -22.384 222 HD12 ILE 31 2HD1 ILE 31 -18.841 6.069 -21.517 223 HD13 ILE 31 3HD1 ILE 31 -20.089 4.908 -21.970 224 H ILE 32 H ILE 32 -20.211 9.538 -26.838 225 HA ILE 32 HA ILE 32 -18.731 11.746 -25.803 226 HB ILE 32 HB ILE 32 -18.543 11.229 -28.145 227 HG12 ILE 32 2HG1 ILE 32 -18.972 13.433 -29.121 228 HG13 ILE 32 3HG1 ILE 32 -20.066 13.821 -27.798 229 HG21 ILE 32 1HG2 ILE 32 -21.511 11.425 -28.073 230 HG22 ILE 32 2HG2 ILE 32 -20.671 11.856 -29.562 231 HG23 ILE 32 3HG2 ILE 32 -20.476 10.244 -28.875 232 HD11 ILE 32 1HD1 ILE 32 -17.946 14.900 -27.455 233 HD12 ILE 32 2HD1 ILE 32 -18.175 13.651 -26.231 234 HD13 ILE 32 3HD1 ILE 32 -17.101 13.359 -27.599 235 H GLY 33 H GLY 33 -22.072 10.920 -25.902 236 HA2 GLY 33 2HA GLY 33 -22.843 13.696 -25.293 237 HA3 GLY 33 3HA GLY 33 -23.940 12.430 -25.825 238 H LEU 34 H LEU 34 -22.270 10.711 -23.792 239 HA LEU 34 HA LEU 34 -23.976 11.414 -21.504 240 HB2 LEU 34 2HB LEU 34 -23.220 8.927 -22.760 241 HB3 LEU 34 3HB LEU 34 -22.828 8.913 -21.042 242 HG LEU 34 HG LEU 34 -25.010 7.928 -21.438 243 HD11 LEU 34 1HD1 LEU 34 -25.849 10.477 -20.240 244 HD12 LEU 34 2HD1 LEU 34 -24.408 9.748 -19.531 245 HD13 LEU 34 3HD1 LEU 34 -25.916 8.837 -19.594 246 HD21 LEU 34 1HD2 LEU 34 -26.209 10.506 -22.265 247 HD22 LEU 34 2HD2 LEU 34 -26.674 8.854 -22.671 248 HD23 LEU 34 3HD2 LEU 34 -25.304 9.611 -23.486 249 H MET 35 H MET 35 -20.695 11.049 -22.545 250 HA MET 35 HA MET 35 -19.780 11.621 -19.802 251 HB2 MET 35 2HB MET 35 -19.088 9.437 -21.248 252 HB3 MET 35 3HB MET 35 -17.821 10.553 -21.740 253 HG2 MET 35 2HG MET 35 -17.961 10.827 -18.981 254 HG3 MET 35 3HG MET 35 -18.147 9.099 -19.272 255 HE1 MET 35 1HE MET 35 -16.132 9.112 -22.195 256 HE2 MET 35 2HE MET 35 -14.980 8.171 -21.248 257 HE3 MET 35 3HE MET 35 -16.712 7.898 -21.054 258 H VAL 36 H VAL 36 -20.596 13.374 -22.152 259 HA VAL 36 HA VAL 36 -18.523 15.325 -21.802 260 HB VAL 36 HB VAL 36 -18.650 13.738 -24.298 261 HG11 VAL 36 1HG1 VAL 36 -17.727 15.755 -25.554 262 HG12 VAL 36 2HG1 VAL 36 -19.468 15.715 -25.268 263 HG13 VAL 36 3HG1 VAL 36 -18.432 16.733 -24.267 264 HG21 VAL 36 1HG2 VAL 36 -16.601 13.423 -23.425 265 HG22 VAL 36 2HG2 VAL 36 -16.230 14.959 -24.208 266 HG23 VAL 36 3HG2 VAL 36 -16.654 14.922 -22.496 267 H GLY 37 H GLY 37 -21.406 14.306 -23.572 268 HA2 GLY 37 2HA GLY 37 -22.253 16.768 -24.553 269 HA3 GLY 37 3HA GLY 37 -23.323 15.442 -24.120 270 H GLY 38 H GLY 38 -22.284 18.575 -23.345 271 HA2 GLY 38 2HA GLY 38 -23.233 20.075 -21.858 272 HA3 GLY 38 3HA GLY 38 -24.254 18.778 -21.255 273 H VAL 39 H VAL 39 -20.809 18.363 -21.394 274 HA VAL 39 HA VAL 39 -20.606 18.878 -18.506 275 HB VAL 39 HB VAL 39 -19.465 16.452 -19.900 276 HG11 VAL 39 1HG1 VAL 39 -19.026 15.779 -17.475 277 HG12 VAL 39 2HG1 VAL 39 -17.973 17.007 -18.179 278 HG13 VAL 39 3HG1 VAL 39 -19.274 17.481 -17.086 279 HG21 VAL 39 1HG2 VAL 39 -21.046 15.207 -18.417 280 HG22 VAL 39 2HG2 VAL 39 -21.793 16.751 -18.008 281 HG23 VAL 39 3HG2 VAL 39 -21.830 16.168 -19.672 282 H VAL 40 H VAL 40 -18.439 17.678 -21.070 283 HA VAL 40 HA VAL 40 -16.624 19.918 -20.447 284 HB VAL 40 HB VAL 40 -15.831 17.154 -21.375 285 HG11 VAL 40 1HG1 VAL 40 -14.390 19.706 -21.064 286 HG12 VAL 40 2HG1 VAL 40 -13.576 18.279 -20.421 287 HG13 VAL 40 3HG1 VAL 40 -14.055 18.333 -22.118 288 HG21 VAL 40 1HG2 VAL 40 -14.684 17.468 -18.942 289 HG22 VAL 40 2HG2 VAL 40 -16.206 18.327 -18.704 290 HG23 VAL 40 3HG2 VAL 40 -16.217 16.639 -19.216 291 H ILE 41 H ILE 41 -17.287 21.284 -22.075 292 HA ILE 41 HA ILE 41 -17.481 20.341 -24.804 293 HB ILE 41 HB ILE 41 -17.619 23.178 -23.779 294 HG12 ILE 41 2HG1 ILE 41 -20.169 22.583 -24.344 295 HG13 ILE 41 3HG1 ILE 41 -19.616 20.975 -23.889 296 HG21 ILE 41 1HG2 ILE 41 -19.145 23.048 -26.032 297 HG22 ILE 41 2HG2 ILE 41 -17.474 23.609 -25.974 298 HG23 ILE 41 3HG2 ILE 41 -17.829 21.942 -26.425 299 HD11 ILE 41 1HD1 ILE 41 -18.793 23.047 -22.018 300 HD12 ILE 41 2HD1 ILE 41 -20.542 22.888 -22.177 301 HD13 ILE 41 3HD1 ILE 41 -19.567 21.490 -21.726 302 H ALA 42 H ALA 42 -15.679 23.077 -23.395 303 HA ALA 42 HA ALA 42 -13.662 23.997 -23.925 304 HB1 ALA 42 1HB ALA 42 -11.809 22.386 -24.306 305 HB2 ALA 42 2HB ALA 42 -12.790 22.017 -22.887 306 HB3 ALA 42 3HB ALA 42 -13.004 21.090 -24.372 Start of MODEL 3 1 H1 ASP 1 H ASP 1 0.249 1.226 -6.441 2 HA ASP 1 HA ASP 1 -1.399 -0.566 -7.962 3 HB2 ASP 1 2HB ASP 1 1.043 0.822 -8.359 4 HB3 ASP 1 3HB ASP 1 1.381 -0.894 -8.571 5 H ALA 2 H ALA 2 1.432 -0.948 -5.845 6 HA ALA 2 HA ALA 2 0.771 -3.814 -5.631 7 HB1 ALA 2 1HB ALA 2 2.853 -3.943 -6.542 8 HB2 ALA 2 2HB ALA 2 3.371 -2.401 -5.860 9 HB3 ALA 2 3HB ALA 2 3.302 -3.838 -4.840 10 H GLU 3 H GLU 3 1.506 -0.859 -3.940 11 HA GLU 3 HA GLU 3 1.778 -2.072 -1.356 12 HB2 GLU 3 2HB GLU 3 1.937 0.610 -2.490 13 HB3 GLU 3 3HB GLU 3 1.132 0.590 -0.928 14 HG2 GLU 3 2HG GLU 3 3.687 -0.895 -1.211 15 HG3 GLU 3 3HG GLU 3 3.740 0.865 -1.141 16 H PHE 4 H PHE 4 -0.733 -0.014 -2.834 17 HA PHE 4 HA PHE 4 -2.592 -0.180 -0.770 18 HB2 PHE 4 2HB PHE 4 -2.498 0.957 -3.322 19 HB3 PHE 4 3HB PHE 4 -3.884 -0.128 -3.366 20 HD1 PHE 4 HD1 PHE 4 -2.364 2.593 -1.340 21 HD2 PHE 4 HD2 PHE 4 -5.917 0.554 -2.494 22 HE1 PHE 4 HE1 PHE 4 -3.711 4.276 -0.154 23 HE2 PHE 4 HE2 PHE 4 -7.270 2.234 -1.311 24 HZ PHE 4 HZ PHE 4 -6.168 4.098 -0.139 25 H ARG 5 H ARG 5 -1.800 -2.450 -3.288 26 HA ARG 5 HA ARG 5 -4.109 -4.121 -2.656 27 HB2 ARG 5 2HB ARG 5 -2.167 -3.947 -4.882 28 HB3 ARG 5 3HB ARG 5 -2.732 -5.562 -4.481 29 HG2 ARG 5 2HG ARG 5 -4.084 -4.573 -6.237 30 HG3 ARG 5 3HG ARG 5 -5.042 -4.836 -4.778 31 HD2 ARG 5 2HD ARG 5 -3.721 -2.196 -5.168 32 HD3 ARG 5 3HD ARG 5 -5.164 -2.565 -6.110 33 HE ARG 5 HE ARG 5 -5.070 -1.870 -3.367 34 HH11 ARG 5 1HH1 ARG 5 -6.733 -3.935 -5.623 35 HH12 ARG 5 2HH1 ARG 5 -8.194 -3.993 -4.694 36 HH21 ARG 5 1HH2 ARG 5 -6.989 -1.938 -2.135 37 HH22 ARG 5 2HH2 ARG 5 -8.339 -2.856 -2.711 38 H HIS 6 H HIS 6 -1.677 -3.626 -0.891 39 HA HIS 6 HA HIS 6 -0.727 -6.392 -0.624 40 HB2 HIS 6 2HB HIS 6 0.714 -4.081 -0.646 41 HB3 HIS 6 3HB HIS 6 0.479 -4.312 1.084 42 HD1 HIS 6 HD1 HIS 6 3.190 -4.646 -0.661 43 HD2 HIS 6 HD2 HIS 6 0.830 -7.655 0.963 44 HE1 HIS 6 HE1 HIS 6 4.707 -6.638 -0.426 45 H ASP 7 H ASP 7 -3.371 -5.544 0.225 46 HA ASP 7 HA ASP 7 -3.187 -5.563 3.143 47 HB2 ASP 7 2HB ASP 7 -4.938 -4.325 1.352 48 HB3 ASP 7 3HB ASP 7 -5.885 -5.622 2.076 49 H SER 8 H SER 8 -3.147 -7.448 4.154 50 HA SER 8 HA SER 8 -3.821 -9.901 2.869 51 HB2 SER 8 2HB SER 8 -3.667 -10.035 5.782 52 HB3 SER 8 3HB SER 8 -2.671 -10.834 4.566 53 HG SER 8 HG SER 8 -1.307 -9.151 4.549 54 H GLY 9 H GLY 9 -5.705 -7.541 4.296 55 HA2 GLY 9 2HA GLY 9 -7.876 -9.489 4.771 56 HA3 GLY 9 3HA GLY 9 -7.648 -8.074 5.788 57 H TYR 10 H TYR 10 -6.950 -6.365 3.499 58 HA TYR 10 HA TYR 10 -9.676 -5.767 2.677 59 HB2 TYR 10 2HB TYR 10 -7.711 -4.129 3.488 60 HB3 TYR 10 3HB TYR 10 -7.409 -4.084 1.755 61 HD1 TYR 10 HD1 TYR 10 -8.371 -2.314 0.649 62 HD2 TYR 10 HD2 TYR 10 -10.393 -3.953 4.014 63 HE1 TYR 10 HE1 TYR 10 -10.161 -0.649 0.376 64 HE2 TYR 10 HE2 TYR 10 -12.189 -2.294 3.751 65 HH TYR 10 HH TYR 10 -11.995 0.250 1.298 66 H GLU 11 H GLU 11 -6.820 -7.183 1.405 67 HA GLU 11 HA GLU 11 -7.955 -7.079 -1.313 68 HB2 GLU 11 2HB GLU 11 -5.577 -6.086 -0.700 69 HB3 GLU 11 3HB GLU 11 -5.088 -7.767 -0.851 70 HG2 GLU 11 2HG GLU 11 -6.690 -6.507 -3.025 71 HG3 GLU 11 3HG GLU 11 -4.966 -6.162 -2.897 72 H VAL 12 H VAL 12 -9.058 -8.938 0.254 73 HA VAL 12 HA VAL 12 -7.769 -11.448 -0.604 74 HB VAL 12 HB VAL 12 -9.623 -11.698 1.648 75 HG11 VAL 12 1HG1 VAL 12 -7.113 -12.856 0.656 76 HG12 VAL 12 2HG1 VAL 12 -7.268 -12.802 2.413 77 HG13 VAL 12 3HG1 VAL 12 -8.489 -13.628 1.445 78 HG21 VAL 12 1HG2 VAL 12 -8.024 -10.836 3.320 79 HG22 VAL 12 2HG2 VAL 12 -7.045 -10.172 2.012 80 HG23 VAL 12 3HG2 VAL 12 -8.678 -9.564 2.288 81 H HIS 13 H HIS 13 -9.962 -13.071 0.276 82 HA HIS 13 HA HIS 13 -11.487 -13.281 -1.995 83 HB2 HIS 13 2HB HIS 13 -11.997 -15.123 -0.820 84 HB3 HIS 13 3HB HIS 13 -11.599 -14.344 0.708 85 HD1 HIS 13 HD1 HIS 13 -14.465 -15.147 -1.535 86 HD2 HIS 13 HD2 HIS 13 -13.780 -13.215 2.078 87 HE1 HIS 13 HE1 HIS 13 -16.736 -14.825 -0.504 88 H HIS 14 H HIS 14 -11.832 -11.029 0.603 89 HA HIS 14 HA HIS 14 -14.447 -10.287 0.597 90 HB2 HIS 14 2HB HIS 14 -12.183 -9.207 1.628 91 HB3 HIS 14 3HB HIS 14 -12.579 -8.005 0.402 92 HD1 HIS 14 HD1 HIS 14 -15.780 -8.642 0.948 93 HD2 HIS 14 HD2 HIS 14 -12.886 -7.292 3.606 94 HE1 HIS 14 HE1 HIS 14 -17.044 -7.481 2.786 95 H GLN 15 H GLN 15 -12.042 -9.543 -1.867 96 HA GLN 15 HA GLN 15 -14.147 -9.004 -3.775 97 HB2 GLN 15 2HB GLN 15 -12.649 -6.838 -4.368 98 HB3 GLN 15 3HB GLN 15 -14.087 -6.781 -3.357 99 HG2 GLN 15 2HG GLN 15 -12.293 -5.542 -2.330 100 HG3 GLN 15 3HG GLN 15 -12.682 -6.962 -1.361 101 HE21 GLN 15 1HE2 GLN 15 -11.072 -8.243 -0.780 102 HE22 GLN 15 2HE2 GLN 15 -9.481 -8.233 -1.453 103 H LYS 16 H LYS 16 -13.591 -10.125 -5.508 104 HA LYS 16 HA LYS 16 -10.781 -10.113 -6.368 105 HB2 LYS 16 2HB LYS 16 -11.431 -12.253 -5.165 106 HB3 LYS 16 3HB LYS 16 -12.531 -12.568 -6.501 107 HG2 LYS 16 2HG LYS 16 -10.776 -12.824 -8.033 108 HG3 LYS 16 3HG LYS 16 -9.606 -12.074 -6.945 109 HD2 LYS 16 2HD LYS 16 -9.693 -13.967 -5.462 110 HD3 LYS 16 3HD LYS 16 -11.006 -14.689 -6.395 111 HE2 LYS 16 2HE LYS 16 -9.483 -14.845 -8.338 112 HE3 LYS 16 3HE LYS 16 -8.178 -14.215 -7.334 113 HZ1 LYS 16 1HZ LYS 16 -9.624 -16.553 -6.348 114 HZ2 LYS 16 2HZ LYS 16 -7.987 -16.152 -6.200 115 HZ3 LYS 16 3HZ LYS 16 -8.574 -16.787 -7.654 116 H LEU 17 H LEU 17 -13.823 -9.272 -7.110 117 HA LEU 17 HA LEU 17 -13.406 -9.698 -9.996 118 HB2 LEU 17 2HB LEU 17 -15.888 -9.816 -8.335 119 HB3 LEU 17 3HB LEU 17 -15.988 -9.366 -10.036 120 HG LEU 17 HG LEU 17 -16.492 -11.718 -9.746 121 HD11 LEU 17 1HD1 LEU 17 -13.868 -12.087 -10.938 122 HD12 LEU 17 2HD1 LEU 17 -14.696 -10.653 -11.543 123 HD13 LEU 17 3HD1 LEU 17 -15.472 -12.232 -11.658 124 HD21 LEU 17 1HD2 LEU 17 -15.125 -13.259 -8.692 125 HD22 LEU 17 2HD2 LEU 17 -14.961 -11.840 -7.657 126 HD23 LEU 17 3HD2 LEU 17 -13.695 -12.234 -8.820 127 H VAL 18 H VAL 18 -13.771 -7.466 -7.473 128 HA VAL 18 HA VAL 18 -14.777 -5.302 -9.110 129 HB VAL 18 HB VAL 18 -15.207 -5.590 -6.602 130 HG11 VAL 18 1HG1 VAL 18 -12.617 -5.847 -6.279 131 HG12 VAL 18 2HG1 VAL 18 -12.669 -4.085 -6.186 132 HG13 VAL 18 3HG1 VAL 18 -13.604 -5.057 -5.049 133 HG21 VAL 18 1HG2 VAL 18 -15.964 -3.512 -6.798 134 HG22 VAL 18 2HG2 VAL 18 -14.327 -2.870 -6.669 135 HG23 VAL 18 3HG2 VAL 18 -14.978 -3.313 -8.246 136 H PHE 19 H PHE 19 -11.915 -6.804 -9.060 137 HA PHE 19 HA PHE 19 -10.217 -4.441 -9.095 138 HB2 PHE 19 2HB PHE 19 -9.612 -6.769 -8.103 139 HB3 PHE 19 3HB PHE 19 -9.287 -7.214 -9.775 140 HD1 PHE 19 HD1 PHE 19 -8.607 -4.135 -7.781 141 HD2 PHE 19 HD2 PHE 19 -7.024 -7.310 -10.132 142 HE1 PHE 19 HE1 PHE 19 -6.362 -3.144 -7.603 143 HE2 PHE 19 HE2 PHE 19 -4.777 -6.325 -9.957 144 HZ PHE 19 HZ PHE 19 -4.443 -4.239 -8.690 145 H PHE 20 H PHE 20 -12.340 -5.224 -11.172 146 HA PHE 20 HA PHE 20 -10.746 -4.450 -13.465 147 HB2 PHE 20 2HB PHE 20 -11.605 -7.179 -13.060 148 HB3 PHE 20 3HB PHE 20 -12.350 -6.506 -14.507 149 HD1 PHE 20 HD1 PHE 20 -10.653 -5.138 -16.035 150 HD2 PHE 20 HD2 PHE 20 -9.573 -8.207 -13.290 151 HE1 PHE 20 HE1 PHE 20 -8.569 -5.520 -17.287 152 HE2 PHE 20 HE2 PHE 20 -7.487 -8.593 -14.537 153 HZ PHE 20 HZ PHE 20 -6.982 -7.248 -16.537 154 H ALA 21 H ALA 21 -13.079 -3.581 -11.705 155 HA ALA 21 HA ALA 21 -14.974 -3.028 -13.895 156 HB1 ALA 21 1HB ALA 21 -15.495 -4.303 -11.471 157 HB2 ALA 21 2HB ALA 21 -16.143 -2.673 -11.285 158 HB3 ALA 21 3HB ALA 21 -16.675 -3.686 -12.627 159 H GLU 22 H GLU 22 -13.142 -1.763 -11.209 160 HA GLU 22 HA GLU 22 -14.295 0.876 -11.382 161 HB2 GLU 22 2HB GLU 22 -13.139 -0.396 -9.346 162 HB3 GLU 22 3HB GLU 22 -11.708 0.401 -9.986 163 HG2 GLU 22 2HG GLU 22 -12.792 1.682 -8.197 164 HG3 GLU 22 3HG GLU 22 -12.733 2.561 -9.724 165 H ASP 23 H ASP 23 -13.625 0.522 -13.853 166 HA ASP 23 HA ASP 23 -11.725 2.523 -14.420 167 HB2 ASP 23 2HB ASP 23 -10.180 0.642 -13.784 168 HB3 ASP 23 3HB ASP 23 -10.802 -0.257 -15.165 169 H VAL 24 H VAL 24 -14.418 1.719 -15.108 170 HA VAL 24 HA VAL 24 -14.129 1.398 -18.025 171 HB VAL 24 HB VAL 24 -16.487 0.629 -16.300 172 HG11 VAL 24 1HG1 VAL 24 -17.631 0.941 -18.202 173 HG12 VAL 24 2HG1 VAL 24 -16.166 1.011 -19.183 174 HG13 VAL 24 3HG1 VAL 24 -16.854 -0.550 -18.735 175 HG21 VAL 24 1HG2 VAL 24 -15.612 -1.409 -16.119 176 HG22 VAL 24 2HG2 VAL 24 -15.287 -1.490 -17.850 177 HG23 VAL 24 3HG2 VAL 24 -14.109 -0.750 -16.766 178 H GLY 25 H GLY 25 -15.458 3.277 -15.426 179 HA2 GLY 25 2HA GLY 25 -17.416 4.757 -16.730 180 HA3 GLY 25 3HA GLY 25 -16.438 5.352 -15.396 181 H SER 26 H SER 26 -13.916 5.196 -16.735 182 HA SER 26 HA SER 26 -14.168 7.593 -18.376 183 HB2 SER 26 2HB SER 26 -11.640 6.245 -17.404 184 HB3 SER 26 3HB SER 26 -11.794 7.879 -18.051 185 HG SER 26 HG SER 26 -11.796 7.403 -15.606 186 H ASN 27 H ASN 27 -15.197 5.568 -19.769 187 HA ASN 27 HA ASN 27 -13.403 4.036 -21.306 188 HB2 ASN 27 2HB ASN 27 -15.934 3.730 -21.036 189 HB3 ASN 27 3HB ASN 27 -16.101 4.970 -22.275 190 HD21 ASN 27 1HD2 ASN 27 -16.137 1.774 -21.813 191 HD22 ASN 27 2HD2 ASN 27 -15.604 1.226 -23.362 192 H LYS 28 H LYS 28 -14.953 7.166 -21.924 193 HA LYS 28 HA LYS 28 -14.389 8.888 -23.302 194 HB2 LYS 28 2HB LYS 28 -11.912 7.615 -22.684 195 HB3 LYS 28 3HB LYS 28 -11.882 8.073 -24.381 196 HG2 LYS 28 2HG LYS 28 -12.706 10.017 -22.256 197 HG3 LYS 28 3HG LYS 28 -11.009 9.750 -22.661 198 HD2 LYS 28 2HD LYS 28 -11.319 10.507 -24.877 199 HD3 LYS 28 3HD LYS 28 -13.077 10.426 -24.739 200 HE2 LYS 28 2HE LYS 28 -12.276 12.133 -22.691 201 HE3 LYS 28 3HE LYS 28 -11.263 12.576 -24.063 202 HZ1 LYS 28 1HZ LYS 28 -13.510 13.718 -23.828 203 HZ2 LYS 28 2HZ LYS 28 -14.185 12.259 -24.354 204 HZ3 LYS 28 3HZ LYS 28 -13.110 13.101 -25.352 205 H GLY 29 H GLY 29 -15.157 9.261 -25.283 206 HA2 GLY 29 2HA GLY 29 -15.295 8.992 -27.618 207 HA3 GLY 29 3HA GLY 29 -14.537 7.414 -27.458 208 H ALA 30 H ALA 30 -16.620 7.066 -25.150 209 HA ALA 30 HA ALA 30 -18.943 6.486 -26.857 210 HB1 ALA 30 1HB ALA 30 -19.224 4.341 -25.587 211 HB2 ALA 30 2HB ALA 30 -17.831 4.391 -26.669 212 HB3 ALA 30 3HB ALA 30 -17.607 4.596 -24.932 213 H ILE 31 H ILE 31 -18.039 8.406 -24.568 214 HA ILE 31 HA ILE 31 -20.598 8.261 -23.152 215 HB ILE 31 HB ILE 31 -18.240 9.020 -21.514 216 HG12 ILE 31 2HG1 ILE 31 -18.881 6.213 -22.393 217 HG13 ILE 31 3HG1 ILE 31 -17.319 7.025 -22.368 218 HG21 ILE 31 1HG2 ILE 31 -19.569 8.142 -19.721 219 HG22 ILE 31 2HG2 ILE 31 -20.593 9.169 -20.724 220 HG23 ILE 31 3HG2 ILE 31 -20.703 7.414 -20.858 221 HD11 ILE 31 1HD1 ILE 31 -18.771 5.633 -20.214 222 HD12 ILE 31 2HD1 ILE 31 -17.040 5.742 -20.540 223 HD13 ILE 31 3HD1 ILE 31 -17.877 7.083 -19.758 224 H ILE 32 H ILE 32 -19.689 9.966 -25.276 225 HA ILE 32 HA ILE 32 -18.874 12.493 -24.256 226 HB ILE 32 HB ILE 32 -18.454 11.979 -26.570 227 HG12 ILE 32 2HG1 ILE 32 -19.328 13.995 -27.631 228 HG13 ILE 32 3HG1 ILE 32 -20.576 14.131 -26.397 229 HG21 ILE 32 1HG2 ILE 32 -21.273 11.221 -26.537 230 HG22 ILE 32 2HG2 ILE 32 -20.807 12.157 -27.955 231 HG23 ILE 32 3HG2 ILE 32 -19.959 10.660 -27.570 232 HD11 ILE 32 1HD1 ILE 32 -18.842 14.489 -24.705 233 HD12 ILE 32 2HD1 ILE 32 -17.611 14.392 -25.964 234 HD13 ILE 32 3HD1 ILE 32 -18.791 15.702 -25.983 235 H GLY 33 H GLY 33 -21.897 10.868 -24.432 236 HA2 GLY 33 2HA GLY 33 -23.351 13.386 -23.959 237 HA3 GLY 33 3HA GLY 33 -24.081 11.881 -24.497 238 H LEU 34 H LEU 34 -22.248 10.548 -22.394 239 HA LEU 34 HA LEU 34 -24.151 10.890 -20.191 240 HB2 LEU 34 2HB LEU 34 -22.761 8.651 -21.347 241 HB3 LEU 34 3HB LEU 34 -22.419 8.762 -19.622 242 HG LEU 34 HG LEU 34 -24.311 7.258 -20.179 243 HD11 LEU 34 1HD1 LEU 34 -24.044 8.584 -18.010 244 HD12 LEU 34 2HD1 LEU 34 -25.634 7.908 -18.366 245 HD13 LEU 34 3HD1 LEU 34 -25.324 9.623 -18.637 246 HD21 LEU 34 1HD2 LEU 34 -25.690 9.810 -21.007 247 HD22 LEU 34 2HD2 LEU 34 -26.430 8.214 -20.889 248 HD23 LEU 34 3HD2 LEU 34 -25.180 8.519 -22.095 249 H MET 35 H MET 35 -20.876 11.453 -21.078 250 HA MET 35 HA MET 35 -20.271 12.241 -18.303 251 HB2 MET 35 2HB MET 35 -18.967 10.282 -19.646 252 HB3 MET 35 3HB MET 35 -17.999 11.675 -20.106 253 HG2 MET 35 2HG MET 35 -18.167 12.100 -17.466 254 HG3 MET 35 3HG MET 35 -18.290 10.342 -17.495 255 HE1 MET 35 1HE MET 35 -16.952 9.204 -19.451 256 HE2 MET 35 2HE MET 35 -15.888 10.211 -20.432 257 HE3 MET 35 3HE MET 35 -15.206 9.136 -19.210 258 H VAL 36 H VAL 36 -21.382 13.695 -20.726 259 HA VAL 36 HA VAL 36 -19.904 16.116 -20.336 260 HB VAL 36 HB VAL 36 -19.416 14.493 -22.754 261 HG11 VAL 36 1HG1 VAL 36 -20.705 16.105 -23.877 262 HG12 VAL 36 2HG1 VAL 36 -20.071 17.422 -22.889 263 HG13 VAL 36 3HG1 VAL 36 -19.035 16.634 -24.079 264 HG21 VAL 36 1HG2 VAL 36 -17.972 16.472 -21.055 265 HG22 VAL 36 2HG2 VAL 36 -17.500 14.841 -21.532 266 HG23 VAL 36 3HG2 VAL 36 -17.396 16.163 -22.694 267 H GLY 37 H GLY 37 -22.130 14.473 -22.586 268 HA2 GLY 37 2HA GLY 37 -24.077 15.206 -23.576 269 HA3 GLY 37 3HA GLY 37 -24.426 15.823 -21.967 270 H GLY 38 H GLY 38 -22.864 16.632 -25.041 271 HA2 GLY 38 2HA GLY 38 -22.469 18.660 -26.051 272 HA3 GLY 38 3HA GLY 38 -24.024 19.108 -25.366 273 H VAL 39 H VAL 39 -20.651 18.676 -24.288 274 HA VAL 39 HA VAL 39 -20.722 21.348 -23.121 275 HB VAL 39 HB VAL 39 -20.181 18.849 -21.524 276 HG11 VAL 39 1HG1 VAL 39 -19.050 21.531 -21.246 277 HG12 VAL 39 2HG1 VAL 39 -19.826 20.925 -19.781 278 HG13 VAL 39 3HG1 VAL 39 -18.530 20.000 -20.540 279 HG21 VAL 39 1HG2 VAL 39 -21.990 21.183 -20.927 280 HG22 VAL 39 2HG2 VAL 39 -22.526 19.705 -21.727 281 HG23 VAL 39 3HG2 VAL 39 -21.908 19.640 -20.077 282 H VAL 40 H VAL 40 -18.542 18.575 -22.682 283 HA VAL 40 HA VAL 40 -16.350 20.229 -23.722 284 HB VAL 40 HB VAL 40 -16.243 17.701 -22.071 285 HG11 VAL 40 1HG1 VAL 40 -14.170 19.301 -23.457 286 HG12 VAL 40 2HG1 VAL 40 -13.787 18.707 -21.840 287 HG13 VAL 40 3HG1 VAL 40 -14.229 17.572 -23.116 288 HG21 VAL 40 1HG2 VAL 40 -16.565 19.038 -20.326 289 HG22 VAL 40 2HG2 VAL 40 -15.053 19.854 -20.725 290 HG23 VAL 40 3HG2 VAL 40 -16.579 20.464 -21.364 291 H ILE 41 H ILE 41 -16.711 19.909 -25.934 292 HA ILE 41 HA ILE 41 -16.815 17.238 -27.023 293 HB ILE 41 HB ILE 41 -16.476 19.843 -28.509 294 HG12 ILE 41 2HG1 ILE 41 -18.504 19.933 -27.166 295 HG13 ILE 41 3HG1 ILE 41 -18.925 19.728 -28.863 296 HG21 ILE 41 1HG2 ILE 41 -17.917 17.775 -29.889 297 HG22 ILE 41 2HG2 ILE 41 -16.456 18.634 -30.371 298 HG23 ILE 41 3HG2 ILE 41 -16.337 17.186 -29.373 299 HD11 ILE 41 1HD1 ILE 41 -19.119 17.766 -26.621 300 HD12 ILE 41 2HD1 ILE 41 -20.349 18.268 -27.782 301 HD13 ILE 41 3HD1 ILE 41 -19.028 17.217 -28.295 302 H ALA 42 H ALA 42 -14.823 16.372 -26.293 303 HA ALA 42 HA ALA 42 -12.622 15.812 -26.455 304 HB1 ALA 42 1HB ALA 42 -11.848 16.882 -28.939 305 HB2 ALA 42 2HB ALA 42 -12.338 15.227 -28.575 306 HB3 ALA 42 3HB ALA 42 -13.540 16.407 -29.098 Start of MODEL 4 1 H1 ASP 1 H ASP 1 -1.989 4.445 -1.567 2 HA ASP 1 HA ASP 1 -0.057 3.144 -2.481 3 HB2 ASP 1 2HB ASP 1 0.030 5.146 -0.394 4 HB3 ASP 1 3HB ASP 1 1.412 4.060 -0.277 5 H ALA 2 H ALA 2 -1.280 2.314 0.663 6 HA ALA 2 HA ALA 2 0.632 0.081 0.831 7 HB1 ALA 2 1HB ALA 2 0.189 0.002 3.199 8 HB2 ALA 2 2HB ALA 2 0.623 1.649 2.742 9 HB3 ALA 2 3HB ALA 2 -1.064 1.233 3.041 10 H GLU 3 H GLU 3 -1.773 0.142 -0.845 11 HA GLU 3 HA GLU 3 -3.629 -1.656 0.489 12 HB2 GLU 3 2HB GLU 3 -3.606 -0.392 -2.251 13 HB3 GLU 3 3HB GLU 3 -4.824 -1.554 -1.745 14 HG2 GLU 3 2HG GLU 3 -5.903 0.393 -1.279 15 HG3 GLU 3 3HG GLU 3 -5.112 0.099 0.268 16 H PHE 4 H PHE 4 -1.646 -1.711 -2.474 17 HA PHE 4 HA PHE 4 -2.060 -4.459 -2.995 18 HB2 PHE 4 2HB PHE 4 -1.020 -2.411 -4.426 19 HB3 PHE 4 3HB PHE 4 0.460 -3.239 -3.951 20 HD1 PHE 4 HD1 PHE 4 -2.922 -4.087 -5.285 21 HD2 PHE 4 HD2 PHE 4 1.268 -4.827 -5.387 22 HE1 PHE 4 HE1 PHE 4 -3.257 -5.715 -7.100 23 HE2 PHE 4 HE2 PHE 4 0.940 -6.455 -7.202 24 HZ PHE 4 HZ PHE 4 -1.324 -6.900 -8.062 25 H ARG 5 H ARG 5 0.650 -2.709 -1.502 26 HA ARG 5 HA ARG 5 2.293 -4.918 -1.020 27 HB2 ARG 5 2HB ARG 5 2.079 -2.158 0.033 28 HB3 ARG 5 3HB ARG 5 2.950 -3.306 1.040 29 HG2 ARG 5 2HG ARG 5 4.466 -2.098 -0.418 30 HG3 ARG 5 3HG ARG 5 4.443 -3.816 -0.820 31 HD2 ARG 5 2HD ARG 5 2.562 -2.033 -2.266 32 HD3 ARG 5 3HD ARG 5 4.273 -1.918 -2.673 33 HE ARG 5 HE ARG 5 2.486 -4.029 -3.365 34 HH11 ARG 5 1HH1 ARG 5 5.803 -3.304 -2.595 35 HH12 ARG 5 2HH1 ARG 5 6.439 -4.653 -3.476 36 HH21 ARG 5 1HH2 ARG 5 3.311 -5.809 -4.529 37 HH22 ARG 5 2HH2 ARG 5 5.021 -6.076 -4.577 38 H HIS 6 H HIS 6 -0.617 -3.920 0.504 39 HA HIS 6 HA HIS 6 -0.323 -4.961 3.072 40 HB2 HIS 6 2HB HIS 6 -2.347 -3.738 1.694 41 HB3 HIS 6 3HB HIS 6 -2.976 -5.373 1.873 42 HD1 HIS 6 HD1 HIS 6 -2.908 -2.238 3.566 43 HD2 HIS 6 HD2 HIS 6 -2.788 -6.214 4.764 44 HE1 HIS 6 HE1 HIS 6 -3.573 -2.230 5.992 45 H ASP 7 H ASP 7 -2.187 -6.562 0.491 46 HA ASP 7 HA ASP 7 -2.345 -8.751 -0.130 47 HB2 ASP 7 2HB ASP 7 0.223 -8.605 0.157 48 HB3 ASP 7 3HB ASP 7 -0.046 -9.445 1.681 49 H SER 8 H SER 8 -1.116 -9.028 3.203 50 HA SER 8 HA SER 8 -3.117 -10.941 3.903 51 HB2 SER 8 2HB SER 8 -0.914 -10.998 4.957 52 HB3 SER 8 3HB SER 8 -1.180 -9.396 5.644 53 HG SER 8 HG SER 8 -3.060 -11.390 6.185 54 H GLY 9 H GLY 9 -5.014 -9.675 3.312 55 HA2 GLY 9 2HA GLY 9 -6.795 -8.939 4.990 56 HA3 GLY 9 3HA GLY 9 -5.698 -7.600 5.292 57 H TYR 10 H TYR 10 -4.912 -7.393 2.474 58 HA TYR 10 HA TYR 10 -7.306 -5.982 1.531 59 HB2 TYR 10 2HB TYR 10 -4.918 -4.914 1.851 60 HB3 TYR 10 3HB TYR 10 -4.615 -5.632 0.272 61 HD1 TYR 10 HD1 TYR 10 -6.117 -4.983 -1.657 62 HD2 TYR 10 HD2 TYR 10 -6.126 -2.903 2.055 63 HE1 TYR 10 HE1 TYR 10 -7.200 -3.060 -2.744 64 HE2 TYR 10 HE2 TYR 10 -7.210 -0.975 0.979 65 HH TYR 10 HH TYR 10 -8.211 -0.226 -0.880 66 H GLU 11 H GLU 11 -5.227 -8.631 0.832 67 HA GLU 11 HA GLU 11 -6.199 -8.858 -1.914 68 HB2 GLU 11 2HB GLU 11 -3.773 -9.215 -1.344 69 HB3 GLU 11 3HB GLU 11 -4.255 -10.662 -0.471 70 HG2 GLU 11 2HG GLU 11 -4.410 -11.860 -2.336 71 HG3 GLU 11 3HG GLU 11 -5.309 -10.597 -3.173 72 H VAL 12 H VAL 12 -7.615 -9.448 0.813 73 HA VAL 12 HA VAL 12 -8.441 -12.208 0.272 74 HB VAL 12 HB VAL 12 -9.627 -10.834 2.586 75 HG11 VAL 12 1HG1 VAL 12 -9.320 -13.417 1.744 76 HG12 VAL 12 2HG1 VAL 12 -8.067 -13.274 2.979 77 HG13 VAL 12 3HG1 VAL 12 -9.748 -12.923 3.381 78 HG21 VAL 12 1HG2 VAL 12 -6.656 -11.308 2.421 79 HG22 VAL 12 2HG2 VAL 12 -7.482 -9.781 2.727 80 HG23 VAL 12 3HG2 VAL 12 -7.535 -11.068 3.931 81 H HIS 13 H HIS 13 -10.977 -11.877 1.644 82 HA HIS 13 HA HIS 13 -12.719 -11.559 -0.443 83 HB2 HIS 13 2HB HIS 13 -14.006 -12.327 1.225 84 HB3 HIS 13 3HB HIS 13 -12.928 -11.669 2.452 85 HD1 HIS 13 HD1 HIS 13 -16.077 -10.955 0.605 86 HD2 HIS 13 HD2 HIS 13 -13.634 -9.113 3.416 87 HE1 HIS 13 HE1 HIS 13 -17.423 -9.033 1.509 88 H HIS 14 H HIS 14 -11.137 -9.090 1.395 89 HA HIS 14 HA HIS 14 -12.692 -6.881 1.192 90 HB2 HIS 14 2HB HIS 14 -10.067 -7.306 1.778 91 HB3 HIS 14 3HB HIS 14 -9.930 -6.405 0.271 92 HD1 HIS 14 HD1 HIS 14 -10.977 -3.973 0.268 93 HD2 HIS 14 HD2 HIS 14 -10.753 -5.814 3.986 94 HE1 HIS 14 HE1 HIS 14 -11.303 -2.132 1.950 95 H GLN 15 H GLN 15 -10.913 -8.422 -1.427 96 HA GLN 15 HA GLN 15 -12.458 -6.814 -3.332 97 HB2 GLN 15 2HB GLN 15 -10.361 -6.789 -4.792 98 HB3 GLN 15 3HB GLN 15 -10.387 -5.700 -3.411 99 HG2 GLN 15 2HG GLN 15 -8.243 -6.656 -3.450 100 HG3 GLN 15 3HG GLN 15 -9.111 -7.462 -2.144 101 HE21 GLN 15 1HE2 GLN 15 -8.699 -9.538 -2.053 102 HE22 GLN 15 2HE2 GLN 15 -8.406 -10.586 -3.395 103 H LYS 16 H LYS 16 -12.985 -7.841 -5.257 104 HA LYS 16 HA LYS 16 -11.947 -10.221 -6.236 105 HB2 LYS 16 2HB LYS 16 -12.649 -11.418 -4.329 106 HB3 LYS 16 3HB LYS 16 -14.190 -10.573 -4.262 107 HG2 LYS 16 2HG LYS 16 -14.976 -11.739 -6.209 108 HG3 LYS 16 3HG LYS 16 -13.395 -12.487 -6.446 109 HD2 LYS 16 2HD LYS 16 -14.364 -14.203 -5.335 110 HD3 LYS 16 3HD LYS 16 -13.892 -13.259 -3.920 111 HE2 LYS 16 2HE LYS 16 -16.081 -12.319 -3.732 112 HE3 LYS 16 3HE LYS 16 -16.568 -13.006 -5.280 113 HZ1 LYS 16 1HZ LYS 16 -17.039 -14.956 -4.340 114 HZ2 LYS 16 2HZ LYS 16 -17.001 -14.136 -2.862 115 HZ3 LYS 16 3HZ LYS 16 -15.631 -14.969 -3.402 116 H LEU 17 H LEU 17 -14.674 -8.100 -5.830 117 HA LEU 17 HA LEU 17 -15.610 -8.820 -8.529 118 HB2 LEU 17 2HB LEU 17 -17.749 -7.622 -7.697 119 HB3 LEU 17 3HB LEU 17 -17.425 -9.279 -7.193 120 HG LEU 17 HG LEU 17 -16.427 -7.201 -5.364 121 HD11 LEU 17 1HD1 LEU 17 -19.353 -7.538 -5.952 122 HD12 LEU 17 2HD1 LEU 17 -18.415 -6.049 -5.852 123 HD13 LEU 17 3HD1 LEU 17 -18.762 -6.972 -4.390 124 HD21 LEU 17 1HD2 LEU 17 -16.525 -9.774 -5.110 125 HD22 LEU 17 2HD2 LEU 17 -18.224 -9.506 -4.717 126 HD23 LEU 17 3HD2 LEU 17 -16.963 -8.760 -3.734 127 H VAL 18 H VAL 18 -14.378 -6.341 -6.498 128 HA VAL 18 HA VAL 18 -15.192 -4.173 -8.245 129 HB VAL 18 HB VAL 18 -14.982 -3.943 -5.733 130 HG11 VAL 18 1HG1 VAL 18 -12.633 -5.128 -5.910 131 HG12 VAL 18 2HG1 VAL 18 -12.070 -3.468 -6.115 132 HG13 VAL 18 3HG1 VAL 18 -12.961 -3.926 -4.663 133 HG21 VAL 18 1HG2 VAL 18 -14.835 -1.732 -6.045 134 HG22 VAL 18 2HG2 VAL 18 -13.213 -1.844 -6.729 135 HG23 VAL 18 3HG2 VAL 18 -14.623 -2.123 -7.752 136 H PHE 19 H PHE 19 -13.037 -6.510 -8.649 137 HA PHE 19 HA PHE 19 -10.789 -4.876 -9.517 138 HB2 PHE 19 2HB PHE 19 -10.534 -7.102 -8.308 139 HB3 PHE 19 3HB PHE 19 -11.072 -7.866 -9.800 140 HD1 PHE 19 HD1 PHE 19 -8.761 -5.013 -9.165 141 HD2 PHE 19 HD2 PHE 19 -9.270 -8.928 -10.755 142 HE1 PHE 19 HE1 PHE 19 -6.453 -4.964 -10.017 143 HE2 PHE 19 HE2 PHE 19 -6.963 -8.886 -11.608 144 HZ PHE 19 HZ PHE 19 -5.551 -6.902 -11.239 145 H PHE 20 H PHE 20 -13.562 -5.054 -10.823 146 HA PHE 20 HA PHE 20 -12.562 -5.052 -13.541 147 HB2 PHE 20 2HB PHE 20 -13.346 -7.436 -12.909 148 HB3 PHE 20 3HB PHE 20 -14.971 -6.761 -12.975 149 HD1 PHE 20 HD1 PHE 20 -16.069 -7.311 -14.903 150 HD2 PHE 20 HD2 PHE 20 -11.901 -6.464 -15.083 151 HE1 PHE 20 HE1 PHE 20 -16.109 -7.648 -17.340 152 HE2 PHE 20 HE2 PHE 20 -11.935 -6.799 -17.520 153 HZ PHE 20 HZ PHE 20 -14.041 -7.391 -18.652 154 H ALA 21 H ALA 21 -13.896 -3.307 -11.429 155 HA ALA 21 HA ALA 21 -16.103 -2.335 -13.126 156 HB1 ALA 21 1HB ALA 21 -16.605 -3.283 -10.759 157 HB2 ALA 21 2HB ALA 21 -15.978 -1.731 -10.203 158 HB3 ALA 21 3HB ALA 21 -17.374 -1.783 -11.280 159 H GLU 22 H GLU 22 -13.255 -1.539 -11.276 160 HA GLU 22 HA GLU 22 -13.562 1.309 -11.599 161 HB2 GLU 22 2HB GLU 22 -12.259 -0.109 -9.762 162 HB3 GLU 22 3HB GLU 22 -10.933 0.097 -10.898 163 HG2 GLU 22 2HG GLU 22 -12.459 2.201 -9.410 164 HG3 GLU 22 3HG GLU 22 -10.730 1.860 -9.374 165 H ASP 23 H ASP 23 -13.843 0.581 -14.056 166 HA ASP 23 HA ASP 23 -11.739 1.786 -15.470 167 HB2 ASP 23 2HB ASP 23 -10.488 -0.244 -15.077 168 HB3 ASP 23 3HB ASP 23 -11.834 -1.231 -15.638 169 H VAL 24 H VAL 24 -14.436 -0.480 -15.579 170 HA VAL 24 HA VAL 24 -15.139 -0.325 -18.248 171 HB VAL 24 HB VAL 24 -17.082 -0.414 -15.938 172 HG11 VAL 24 1HG1 VAL 24 -18.348 -1.836 -17.670 173 HG12 VAL 24 2HG1 VAL 24 -18.350 -0.082 -17.865 174 HG13 VAL 24 3HG1 VAL 24 -17.282 -1.079 -18.854 175 HG21 VAL 24 1HG2 VAL 24 -16.236 -2.394 -15.400 176 HG22 VAL 24 2HG2 VAL 24 -16.624 -2.984 -17.016 177 HG23 VAL 24 3HG2 VAL 24 -15.046 -2.265 -16.695 178 H GLY 25 H GLY 25 -15.555 2.032 -15.711 179 HA2 GLY 25 2HA GLY 25 -17.553 3.641 -16.792 180 HA3 GLY 25 3HA GLY 25 -16.248 4.219 -15.767 181 H SER 26 H SER 26 -14.277 3.216 -17.828 182 HA SER 26 HA SER 26 -14.301 5.646 -19.428 183 HB2 SER 26 2HB SER 26 -12.230 3.506 -18.941 184 HB3 SER 26 3HB SER 26 -12.007 4.773 -20.146 185 HG SER 26 HG SER 26 -11.099 5.501 -18.264 186 H ASN 27 H ASN 27 -16.349 4.261 -20.315 187 HA ASN 27 HA ASN 27 -15.990 2.241 -22.177 188 HB2 ASN 27 2HB ASN 27 -18.174 3.261 -21.274 189 HB3 ASN 27 3HB ASN 27 -18.004 4.448 -22.565 190 HD21 ASN 27 1HD2 ASN 27 -20.126 2.589 -22.254 191 HD22 ASN 27 2HD2 ASN 27 -20.111 1.547 -23.632 192 H LYS 28 H LYS 28 -16.555 5.649 -23.061 193 HA LYS 28 HA LYS 28 -15.716 6.947 -24.732 194 HB2 LYS 28 2HB LYS 28 -13.540 5.388 -23.885 195 HB3 LYS 28 3HB LYS 28 -13.523 5.302 -25.641 196 HG2 LYS 28 2HG LYS 28 -13.764 7.925 -24.215 197 HG3 LYS 28 3HG LYS 28 -12.195 7.170 -24.506 198 HD2 LYS 28 2HD LYS 28 -12.468 7.278 -26.850 199 HD3 LYS 28 3HD LYS 28 -14.188 7.647 -26.708 200 HE2 LYS 28 2HE LYS 28 -13.734 9.819 -26.705 201 HE3 LYS 28 3HE LYS 28 -12.728 9.619 -25.271 202 HZ1 LYS 28 1HZ LYS 28 -11.013 8.788 -27.047 203 HZ2 LYS 28 2HZ LYS 28 -11.208 10.438 -26.734 204 HZ3 LYS 28 3HZ LYS 28 -11.942 9.743 -28.090 205 H GLY 29 H GLY 29 -16.511 7.150 -26.727 206 HA2 GLY 29 2HA GLY 29 -16.743 6.485 -29.001 207 HA3 GLY 29 3HA GLY 29 -16.524 4.814 -28.504 208 H ALA 30 H ALA 30 -18.502 5.634 -26.220 209 HA ALA 30 HA ALA 30 -20.965 5.520 -27.820 210 HB1 ALA 30 1HB ALA 30 -19.916 3.476 -26.025 211 HB2 ALA 30 2HB ALA 30 -21.573 3.953 -25.652 212 HB3 ALA 30 3HB ALA 30 -21.166 3.365 -27.265 213 H ILE 31 H ILE 31 -19.394 7.446 -25.948 214 HA ILE 31 HA ILE 31 -21.788 8.397 -24.559 215 HB ILE 31 HB ILE 31 -19.230 8.640 -23.068 216 HG12 ILE 31 2HG1 ILE 31 -20.793 6.087 -23.390 217 HG13 ILE 31 3HG1 ILE 31 -19.053 6.330 -23.503 218 HG21 ILE 31 1HG2 ILE 31 -20.677 8.606 -21.157 219 HG22 ILE 31 2HG2 ILE 31 -21.365 9.700 -22.356 220 HG23 ILE 31 3HG2 ILE 31 -22.044 8.086 -22.143 221 HD11 ILE 31 1HD1 ILE 31 -19.510 5.185 -21.474 222 HD12 ILE 31 2HD1 ILE 31 -19.050 6.837 -21.062 223 HD13 ILE 31 3HD1 ILE 31 -20.746 6.358 -21.022 224 H ILE 32 H ILE 32 -20.532 9.304 -26.957 225 HA ILE 32 HA ILE 32 -18.894 11.577 -26.426 226 HB ILE 32 HB ILE 32 -18.750 10.531 -28.588 227 HG12 ILE 32 2HG1 ILE 32 -19.013 12.482 -30.042 228 HG13 ILE 32 3HG1 ILE 32 -20.076 13.238 -28.860 229 HG21 ILE 32 1HG2 ILE 32 -21.640 10.631 -28.437 230 HG22 ILE 32 2HG2 ILE 32 -21.039 11.231 -29.982 231 HG23 ILE 32 3HG2 ILE 32 -20.596 9.615 -29.431 232 HD11 ILE 32 1HD1 ILE 32 -17.155 12.618 -28.503 233 HD12 ILE 32 2HD1 ILE 32 -17.880 14.209 -28.736 234 HD13 ILE 32 3HD1 ILE 32 -18.208 13.297 -27.262 235 H GLY 33 H GLY 33 -22.286 10.995 -26.382 236 HA2 GLY 33 2HA GLY 33 -22.849 13.885 -26.429 237 HA3 GLY 33 3HA GLY 33 -24.038 12.614 -26.676 238 H LEU 34 H LEU 34 -22.503 11.279 -24.285 239 HA LEU 34 HA LEU 34 -24.146 12.603 -22.240 240 HB2 LEU 34 2HB LEU 34 -23.617 9.860 -22.906 241 HB3 LEU 34 3HB LEU 34 -23.142 10.179 -21.239 242 HG LEU 34 HG LEU 34 -25.863 10.925 -22.270 243 HD11 LEU 34 1HD1 LEU 34 -26.023 8.685 -22.697 244 HD12 LEU 34 2HD1 LEU 34 -26.449 8.706 -20.986 245 HD13 LEU 34 3HD1 LEU 34 -24.818 8.252 -21.483 246 HD21 LEU 34 1HD2 LEU 34 -25.732 11.906 -20.235 247 HD22 LEU 34 2HD2 LEU 34 -24.479 10.807 -19.660 248 HD23 LEU 34 3HD2 LEU 34 -26.164 10.286 -19.688 249 H MET 35 H MET 35 -20.901 11.789 -23.125 250 HA MET 35 HA MET 35 -19.943 12.904 -20.570 251 HB2 MET 35 2HB MET 35 -19.410 10.406 -21.470 252 HB3 MET 35 3HB MET 35 -18.068 11.288 -22.185 253 HG2 MET 35 2HG MET 35 -18.027 12.241 -19.648 254 HG3 MET 35 3HG MET 35 -18.599 10.595 -19.390 255 HE1 MET 35 1HE MET 35 -15.759 8.585 -21.275 256 HE2 MET 35 2HE MET 35 -16.995 8.345 -20.040 257 HE3 MET 35 3HE MET 35 -17.437 9.014 -21.611 258 H VAL 36 H VAL 36 -20.637 14.130 -23.265 259 HA VAL 36 HA VAL 36 -18.432 15.961 -23.338 260 HB VAL 36 HB VAL 36 -18.667 13.857 -25.406 261 HG11 VAL 36 1HG1 VAL 36 -18.245 16.758 -26.061 262 HG12 VAL 36 2HG1 VAL 36 -17.616 15.463 -27.081 263 HG13 VAL 36 3HG1 VAL 36 -19.353 15.611 -26.812 264 HG21 VAL 36 1HG2 VAL 36 -16.172 14.887 -25.569 265 HG22 VAL 36 2HG2 VAL 36 -16.589 15.304 -23.907 266 HG23 VAL 36 3HG2 VAL 36 -16.647 13.623 -24.435 267 H GLY 37 H GLY 37 -21.379 14.764 -24.875 268 HA2 GLY 37 2HA GLY 37 -22.033 17.036 -26.372 269 HA3 GLY 37 3HA GLY 37 -23.190 15.867 -25.752 270 H GLY 38 H GLY 38 -21.883 19.014 -25.431 271 HA2 GLY 38 2HA GLY 38 -22.867 20.813 -24.326 272 HA3 GLY 38 3HA GLY 38 -23.945 19.690 -23.510 273 H VAL 39 H VAL 39 -20.559 19.027 -23.457 274 HA VAL 39 HA VAL 39 -20.342 20.145 -20.744 275 HB VAL 39 HB VAL 39 -19.417 17.391 -21.577 276 HG11 VAL 39 1HG1 VAL 39 -19.117 17.372 -18.938 277 HG12 VAL 39 2HG1 VAL 39 -17.835 17.912 -20.024 278 HG13 VAL 39 3HG1 VAL 39 -18.862 19.095 -19.212 279 HG21 VAL 39 1HG2 VAL 39 -21.839 17.538 -21.234 280 HG22 VAL 39 2HG2 VAL 39 -21.066 16.569 -19.980 281 HG23 VAL 39 3HG2 VAL 39 -21.570 18.223 -19.632 282 H VAL 40 H VAL 40 -18.502 18.619 -23.386 283 HA VAL 40 HA VAL 40 -16.286 20.470 -22.788 284 HB VAL 40 HB VAL 40 -16.113 17.761 -24.115 285 HG11 VAL 40 1HG1 VAL 40 -13.683 18.074 -23.894 286 HG12 VAL 40 2HG1 VAL 40 -14.420 19.292 -24.938 287 HG13 VAL 40 3HG1 VAL 40 -13.962 19.705 -23.285 288 HG21 VAL 40 1HG2 VAL 40 -15.243 18.622 -21.357 289 HG22 VAL 40 2HG2 VAL 40 -16.637 17.605 -21.724 290 HG23 VAL 40 3HG2 VAL 40 -15.008 17.026 -22.072 291 H ILE 41 H ILE 41 -15.727 21.883 -24.315 292 HA ILE 41 HA ILE 41 -16.506 21.352 -27.099 293 HB ILE 41 HB ILE 41 -16.784 24.061 -25.801 294 HG12 ILE 41 2HG1 ILE 41 -19.323 23.327 -26.409 295 HG13 ILE 41 3HG1 ILE 41 -18.644 21.767 -25.955 296 HG21 ILE 41 1HG2 ILE 41 -17.810 23.033 -28.442 297 HG22 ILE 41 2HG2 ILE 41 -17.930 24.681 -27.827 298 HG23 ILE 41 3HG2 ILE 41 -16.353 24.006 -28.237 299 HD11 ILE 41 1HD1 ILE 41 -17.886 22.814 -23.821 300 HD12 ILE 41 2HD1 ILE 41 -18.797 24.254 -24.278 301 HD13 ILE 41 3HD1 ILE 41 -19.635 22.723 -24.025 302 H ALA 42 H ALA 42 -14.651 23.555 -25.000 303 HA ALA 42 HA ALA 42 -12.576 24.468 -25.206 304 HB1 ALA 42 1HB ALA 42 -10.877 23.108 -25.942 305 HB2 ALA 42 2HB ALA 42 -12.151 21.925 -25.645 306 HB3 ALA 42 3HB ALA 42 -11.822 22.472 -27.289 Start of MODEL 5 1 H1 ASP 1 H ASP 1 -0.458 2.897 -7.652 2 HA ASP 1 HA ASP 1 -2.693 1.421 -8.866 3 HB2 ASP 1 2HB ASP 1 -1.014 2.618 -10.346 4 HB3 ASP 1 3HB ASP 1 0.177 1.439 -9.803 5 H ALA 2 H ALA 2 0.701 0.662 -8.076 6 HA ALA 2 HA ALA 2 -0.033 -2.065 -7.439 7 HB1 ALA 2 1HB ALA 2 1.976 -1.961 -8.604 8 HB2 ALA 2 2HB ALA 2 2.566 -0.592 -7.661 9 HB3 ALA 2 3HB ALA 2 2.491 -2.197 -6.933 10 H GLU 3 H GLU 3 0.837 0.871 -5.754 11 HA GLU 3 HA GLU 3 1.425 -0.277 -3.240 12 HB2 GLU 3 2HB GLU 3 0.255 2.468 -3.656 13 HB3 GLU 3 3HB GLU 3 1.317 1.928 -2.364 14 HG2 GLU 3 2HG GLU 3 2.729 1.455 -4.722 15 HG3 GLU 3 3HG GLU 3 1.973 3.033 -4.933 16 H PHE 4 H PHE 4 -1.545 1.260 -4.469 17 HA PHE 4 HA PHE 4 -3.138 0.879 -2.227 18 HB2 PHE 4 2HB PHE 4 -3.749 1.117 -5.156 19 HB3 PHE 4 3HB PHE 4 -5.042 0.804 -4.003 20 HD1 PHE 4 HD1 PHE 4 -3.798 3.298 -5.848 21 HD2 PHE 4 HD2 PHE 4 -4.511 2.422 -1.744 22 HE1 PHE 4 HE1 PHE 4 -3.940 5.706 -5.362 23 HE2 PHE 4 HE2 PHE 4 -4.655 4.828 -1.252 24 HZ PHE 4 HZ PHE 4 -4.370 6.474 -3.062 25 H ARG 5 H ARG 5 -2.277 -1.349 -4.788 26 HA ARG 5 HA ARG 5 -4.081 -3.387 -3.728 27 HB2 ARG 5 2HB ARG 5 -2.544 -3.031 -6.256 28 HB3 ARG 5 3HB ARG 5 -2.893 -4.673 -5.732 29 HG2 ARG 5 2HG ARG 5 -4.576 -3.878 -7.286 30 HG3 ARG 5 3HG ARG 5 -5.279 -4.158 -5.692 31 HD2 ARG 5 2HD ARG 5 -4.268 -1.438 -6.141 32 HD3 ARG 5 3HD ARG 5 -5.627 -1.901 -7.165 33 HE ARG 5 HE ARG 5 -5.673 -1.425 -4.327 34 HH11 ARG 5 1HH1 ARG 5 -7.245 -3.007 -7.001 35 HH12 ARG 5 2HH1 ARG 5 -8.788 -3.082 -6.218 36 HH21 ARG 5 1HH2 ARG 5 -7.700 -1.518 -3.286 37 HH22 ARG 5 2HH2 ARG 5 -9.046 -2.234 -4.105 38 H HIS 6 H HIS 6 -1.575 -2.380 -2.382 39 HA HIS 6 HA HIS 6 -0.024 -4.871 -2.294 40 HB2 HIS 6 2HB HIS 6 0.926 -2.384 -2.569 41 HB3 HIS 6 3HB HIS 6 0.877 -2.456 -0.810 42 HD1 HIS 6 HD1 HIS 6 3.497 -2.372 -2.621 43 HD2 HIS 6 HD2 HIS 6 1.865 -5.725 -0.789 44 HE1 HIS 6 HE1 HIS 6 5.399 -3.999 -2.380 45 H ASP 7 H ASP 7 -2.655 -4.483 -1.027 46 HA ASP 7 HA ASP 7 -1.979 -4.534 1.821 47 HB2 ASP 7 2HB ASP 7 -4.043 -3.317 0.578 48 HB3 ASP 7 3HB ASP 7 -4.794 -4.863 0.960 49 H SER 8 H SER 8 -1.454 -6.442 2.643 50 HA SER 8 HA SER 8 -2.078 -8.912 1.376 51 HB2 SER 8 2HB SER 8 -1.197 -8.697 4.243 52 HB3 SER 8 3HB SER 8 -0.795 -9.932 3.050 53 HG SER 8 HG SER 8 0.947 -8.789 2.782 54 H GLY 9 H GLY 9 -3.940 -6.876 3.231 55 HA2 GLY 9 2HA GLY 9 -5.644 -9.115 4.138 56 HA3 GLY 9 3HA GLY 9 -5.501 -7.598 5.012 57 H TYR 10 H TYR 10 -5.464 -6.229 2.273 58 HA TYR 10 HA TYR 10 -8.382 -6.094 2.029 59 HB2 TYR 10 2HB TYR 10 -6.677 -4.067 2.374 60 HB3 TYR 10 3HB TYR 10 -6.618 -4.155 0.617 61 HD1 TYR 10 HD1 TYR 10 -8.543 -3.565 -0.725 62 HD2 TYR 10 HD2 TYR 10 -8.734 -3.434 3.524 63 HE1 TYR 10 HE1 TYR 10 -10.630 -2.270 -0.864 64 HE2 TYR 10 HE2 TYR 10 -10.822 -2.141 3.396 65 HH TYR 10 HH TYR 10 -11.984 -0.816 0.425 66 H GLU 11 H GLU 11 -5.543 -7.074 0.344 67 HA GLU 11 HA GLU 11 -6.866 -7.123 -2.247 68 HB2 GLU 11 2HB GLU 11 -4.797 -7.413 -3.179 69 HB3 GLU 11 3HB GLU 11 -4.324 -6.634 -1.675 70 HG2 GLU 11 2HG GLU 11 -4.095 -9.022 -0.755 71 HG3 GLU 11 3HG GLU 11 -4.109 -9.515 -2.447 72 H VAL 12 H VAL 12 -7.327 -8.918 0.300 73 HA VAL 12 HA VAL 12 -7.099 -11.533 -1.008 74 HB VAL 12 HB VAL 12 -8.183 -11.431 1.727 75 HG11 VAL 12 1HG1 VAL 12 -7.622 -13.565 1.401 76 HG12 VAL 12 2HG1 VAL 12 -6.597 -13.169 0.020 77 HG13 VAL 12 3HG1 VAL 12 -5.955 -13.056 1.659 78 HG21 VAL 12 1HG2 VAL 12 -5.371 -10.524 1.133 79 HG22 VAL 12 2HG2 VAL 12 -6.630 -9.621 1.975 80 HG23 VAL 12 3HG2 VAL 12 -5.926 -11.056 2.720 81 H HIS 13 H HIS 13 -9.192 -12.696 0.638 82 HA HIS 13 HA HIS 13 -11.336 -12.655 -1.075 83 HB2 HIS 13 2HB HIS 13 -11.823 -14.321 0.345 84 HB3 HIS 13 3HB HIS 13 -10.821 -13.620 1.612 85 HD1 HIS 13 HD1 HIS 13 -14.346 -13.824 0.412 86 HD2 HIS 13 HD2 HIS 13 -12.196 -12.044 3.489 87 HE1 HIS 13 HE1 HIS 13 -16.069 -13.016 2.055 88 H HIS 14 H HIS 14 -10.452 -10.299 1.283 89 HA HIS 14 HA HIS 14 -12.722 -9.038 2.031 90 HB2 HIS 14 2HB HIS 14 -10.101 -8.367 2.104 91 HB3 HIS 14 3HB HIS 14 -10.686 -7.198 0.924 92 HD1 HIS 14 HD1 HIS 14 -13.034 -5.940 1.880 93 HD2 HIS 14 HD2 HIS 14 -10.266 -7.401 4.612 94 HE1 HIS 14 HE1 HIS 14 -13.500 -4.718 4.028 95 H GLN 15 H GLN 15 -11.268 -8.941 -1.175 96 HA GLN 15 HA GLN 15 -13.794 -7.961 -2.250 97 HB2 GLN 15 2HB GLN 15 -12.284 -6.428 -3.771 98 HB3 GLN 15 3HB GLN 15 -12.843 -5.870 -2.200 99 HG2 GLN 15 2HG GLN 15 -10.587 -5.287 -2.279 100 HG3 GLN 15 3HG GLN 15 -10.643 -6.738 -1.279 101 HE21 GLN 15 1HE2 GLN 15 -9.254 -8.280 -1.750 102 HE22 GLN 15 2HE2 GLN 15 -8.428 -8.481 -3.254 103 H LYS 16 H LYS 16 -14.353 -9.113 -3.971 104 HA LYS 16 HA LYS 16 -12.241 -10.299 -5.637 105 HB2 LYS 16 2HB LYS 16 -13.197 -11.981 -4.038 106 HB3 LYS 16 3HB LYS 16 -14.760 -11.748 -4.809 107 HG2 LYS 16 2HG LYS 16 -14.036 -12.706 -6.821 108 HG3 LYS 16 3HG LYS 16 -12.335 -12.577 -6.368 109 HD2 LYS 16 2HD LYS 16 -12.448 -14.671 -5.624 110 HD3 LYS 16 3HD LYS 16 -13.534 -14.105 -4.353 111 HE2 LYS 16 2HE LYS 16 -15.197 -14.317 -6.528 112 HE3 LYS 16 3HE LYS 16 -14.098 -15.678 -6.748 113 HZ1 LYS 16 1HZ LYS 16 -16.239 -15.411 -4.929 114 HZ2 LYS 16 2HZ LYS 16 -14.803 -15.649 -4.068 115 HZ3 LYS 16 3HZ LYS 16 -15.279 -16.768 -5.245 116 H LEU 17 H LEU 17 -14.730 -8.229 -5.544 117 HA LEU 17 HA LEU 17 -15.528 -8.806 -8.321 118 HB2 LEU 17 2HB LEU 17 -17.625 -7.529 -7.758 119 HB3 LEU 17 3HB LEU 17 -17.457 -9.117 -7.013 120 HG LEU 17 HG LEU 17 -16.556 -6.790 -5.417 121 HD11 LEU 17 1HD1 LEU 17 -18.888 -6.385 -4.658 122 HD12 LEU 17 2HD1 LEU 17 -19.453 -7.363 -6.011 123 HD13 LEU 17 3HD1 LEU 17 -18.575 -5.864 -6.313 124 HD21 LEU 17 1HD2 LEU 17 -17.756 -9.480 -4.992 125 HD22 LEU 17 2HD2 LEU 17 -17.990 -8.244 -3.756 126 HD23 LEU 17 3HD2 LEU 17 -16.359 -8.730 -4.220 127 H VAL 18 H VAL 18 -14.411 -6.460 -6.019 128 HA VAL 18 HA VAL 18 -14.865 -4.081 -7.392 129 HB VAL 18 HB VAL 18 -13.926 -4.377 -5.040 130 HG11 VAL 18 1HG1 VAL 18 -12.026 -5.840 -5.889 131 HG12 VAL 18 2HG1 VAL 18 -11.260 -4.343 -6.427 132 HG13 VAL 18 3HG1 VAL 18 -11.606 -4.593 -4.715 133 HG21 VAL 18 1HG2 VAL 18 -12.770 -2.238 -5.104 134 HG22 VAL 18 2HG2 VAL 18 -12.588 -2.369 -6.853 135 HG23 VAL 18 3HG2 VAL 18 -14.194 -2.200 -6.144 136 H PHE 19 H PHE 19 -12.656 -6.644 -8.058 137 HA PHE 19 HA PHE 19 -10.864 -5.097 -9.684 138 HB2 PHE 19 2HB PHE 19 -10.542 -7.432 -8.445 139 HB3 PHE 19 3HB PHE 19 -11.072 -8.052 -10.005 140 HD1 PHE 19 HD1 PHE 19 -8.713 -5.469 -8.699 141 HD2 PHE 19 HD2 PHE 19 -9.422 -8.603 -11.490 142 HE1 PHE 19 HE1 PHE 19 -6.428 -5.202 -9.574 143 HE2 PHE 19 HE2 PHE 19 -7.139 -8.342 -12.369 144 HZ PHE 19 HZ PHE 19 -5.639 -6.641 -11.410 145 H PHE 20 H PHE 20 -13.172 -4.342 -10.654 146 HA PHE 20 HA PHE 20 -13.091 -4.913 -13.368 147 HB2 PHE 20 2HB PHE 20 -14.506 -6.911 -11.861 148 HB3 PHE 20 3HB PHE 20 -15.631 -6.066 -12.919 149 HD1 PHE 20 HD1 PHE 20 -14.386 -5.577 -15.347 150 HD2 PHE 20 HD2 PHE 20 -13.747 -8.878 -12.737 151 HE1 PHE 20 HE1 PHE 20 -13.610 -6.927 -17.251 152 HE2 PHE 20 HE2 PHE 20 -12.969 -10.234 -14.637 153 HZ PHE 20 HZ PHE 20 -12.899 -9.259 -16.898 154 H ALA 21 H ALA 21 -15.020 -3.959 -10.609 155 HA ALA 21 HA ALA 21 -16.974 -2.470 -12.018 156 HB1 ALA 21 1HB ALA 21 -16.024 -2.137 -9.175 157 HB2 ALA 21 2HB ALA 21 -17.514 -1.485 -9.856 158 HB3 ALA 21 3HB ALA 21 -17.299 -3.229 -9.714 159 H GLU 22 H GLU 22 -13.701 -1.825 -11.143 160 HA GLU 22 HA GLU 22 -13.980 1.050 -11.489 161 HB2 GLU 22 2HB GLU 22 -12.370 -0.330 -9.867 162 HB3 GLU 22 3HB GLU 22 -11.307 -0.238 -11.264 163 HG2 GLU 22 2HG GLU 22 -12.506 2.059 -9.740 164 HG3 GLU 22 3HG GLU 22 -10.812 1.577 -9.790 165 H ASP 23 H ASP 23 -14.797 0.139 -13.773 166 HA ASP 23 HA ASP 23 -13.027 1.162 -15.687 167 HB2 ASP 23 2HB ASP 23 -11.702 -0.817 -15.435 168 HB3 ASP 23 3HB ASP 23 -13.126 -1.851 -15.515 169 H VAL 24 H VAL 24 -15.718 -0.990 -15.001 170 HA VAL 24 HA VAL 24 -16.959 -1.118 -17.464 171 HB VAL 24 HB VAL 24 -18.340 -0.843 -14.791 172 HG11 VAL 24 1HG1 VAL 24 -20.061 -2.295 -16.033 173 HG12 VAL 24 2HG1 VAL 24 -20.007 -0.570 -16.400 174 HG13 VAL 24 3HG1 VAL 24 -19.265 -1.730 -17.502 175 HG21 VAL 24 1HG2 VAL 24 -17.288 -2.759 -14.318 176 HG22 VAL 24 2HG2 VAL 24 -18.382 -3.499 -15.487 177 HG23 VAL 24 3HG2 VAL 24 -16.769 -2.990 -15.987 178 H GLY 25 H GLY 25 -16.813 1.542 -15.201 179 HA2 GLY 25 2HA GLY 25 -18.934 3.108 -16.104 180 HA3 GLY 25 3HA GLY 25 -17.457 3.736 -15.388 181 H SER 26 H SER 26 -15.862 2.466 -17.590 182 HA SER 26 HA SER 26 -16.125 4.683 -19.451 183 HB2 SER 26 2HB SER 26 -13.919 3.688 -18.415 184 HB3 SER 26 3HB SER 26 -14.056 2.537 -19.744 185 HG SER 26 HG SER 26 -14.409 4.696 -20.971 186 H ASN 27 H ASN 27 -18.304 3.422 -19.929 187 HA ASN 27 HA ASN 27 -18.362 1.130 -21.486 188 HB2 ASN 27 2HB ASN 27 -20.324 2.452 -20.513 189 HB3 ASN 27 3HB ASN 27 -20.203 3.475 -21.942 190 HD21 ASN 27 1HD2 ASN 27 -21.767 0.913 -20.663 191 HD22 ASN 27 2HD2 ASN 27 -22.268 0.115 -22.111 192 H LYS 28 H LYS 28 -17.963 4.504 -22.494 193 HA LYS 28 HA LYS 28 -17.077 5.426 -24.378 194 HB2 LYS 28 2HB LYS 28 -15.628 3.091 -24.008 195 HB3 LYS 28 3HB LYS 28 -16.160 2.984 -25.681 196 HG2 LYS 28 2HG LYS 28 -14.859 5.463 -24.616 197 HG3 LYS 28 3HG LYS 28 -13.908 4.093 -25.195 198 HD2 LYS 28 2HD LYS 28 -14.786 4.284 -27.381 199 HD3 LYS 28 3HD LYS 28 -16.068 5.376 -26.851 200 HE2 LYS 28 2HE LYS 28 -13.132 6.041 -26.718 201 HE3 LYS 28 3HE LYS 28 -14.174 6.475 -28.072 202 HZ1 LYS 28 1HZ LYS 28 -15.448 7.305 -25.740 203 HZ2 LYS 28 2HZ LYS 28 -14.776 8.271 -26.955 204 HZ3 LYS 28 3HZ LYS 28 -13.838 7.813 -25.623 205 H GLY 29 H GLY 29 -18.162 6.106 -26.114 206 HA2 GLY 29 2HA GLY 29 -19.280 5.877 -28.172 207 HA3 GLY 29 3HA GLY 29 -19.555 4.180 -27.808 208 H ALA 30 H ALA 30 -20.435 5.313 -25.026 209 HA ALA 30 HA ALA 30 -23.106 6.227 -25.848 210 HB1 ALA 30 1HB ALA 30 -23.523 3.970 -25.415 211 HB2 ALA 30 2HB ALA 30 -22.437 3.941 -24.025 212 HB3 ALA 30 3HB ALA 30 -23.981 4.787 -23.920 213 H ILE 31 H ILE 31 -20.500 7.252 -24.452 214 HA ILE 31 HA ILE 31 -21.949 8.799 -22.430 215 HB ILE 31 HB ILE 31 -19.172 8.011 -21.734 216 HG12 ILE 31 2HG1 ILE 31 -21.541 6.156 -21.663 217 HG13 ILE 31 3HG1 ILE 31 -19.911 5.835 -22.246 218 HG21 ILE 31 1HG2 ILE 31 -20.555 9.612 -20.418 219 HG22 ILE 31 2HG2 ILE 31 -21.654 8.283 -20.049 220 HG23 ILE 31 3HG2 ILE 31 -19.982 8.226 -19.491 221 HD11 ILE 31 1HD1 ILE 31 -21.003 5.742 -19.508 222 HD12 ILE 31 2HD1 ILE 31 -19.778 4.736 -20.284 223 HD13 ILE 31 3HD1 ILE 31 -19.354 6.340 -19.687 224 H ILE 32 H ILE 32 -21.132 9.496 -25.080 225 HA ILE 32 HA ILE 32 -18.721 11.019 -25.006 226 HB ILE 32 HB ILE 32 -19.523 10.232 -27.133 227 HG12 ILE 32 2HG1 ILE 32 -19.459 12.309 -28.428 228 HG13 ILE 32 3HG1 ILE 32 -19.838 13.238 -26.982 229 HG21 ILE 32 1HG2 ILE 32 -21.713 10.100 -27.486 230 HG22 ILE 32 2HG2 ILE 32 -22.048 11.207 -26.156 231 HG23 ILE 32 3HG2 ILE 32 -21.714 11.841 -27.768 232 HD11 ILE 32 1HD1 ILE 32 -17.336 11.649 -27.487 233 HD12 ILE 32 2HD1 ILE 32 -17.493 13.406 -27.472 234 HD13 ILE 32 3HD1 ILE 32 -17.718 12.487 -25.984 235 H GLY 33 H GLY 33 -21.966 11.600 -24.012 236 HA2 GLY 33 2HA GLY 33 -21.469 14.498 -23.859 237 HA3 GLY 33 3HA GLY 33 -23.049 13.732 -23.777 238 H LEU 34 H LEU 34 -21.511 11.705 -21.935 239 HA LEU 34 HA LEU 34 -21.990 13.266 -19.492 240 HB2 LEU 34 2HB LEU 34 -22.579 10.550 -20.309 241 HB3 LEU 34 3HB LEU 34 -21.707 10.595 -18.778 242 HG LEU 34 HG LEU 34 -24.171 12.253 -19.214 243 HD11 LEU 34 1HD1 LEU 34 -23.971 9.337 -18.562 244 HD12 LEU 34 2HD1 LEU 34 -25.052 10.156 -19.689 245 HD13 LEU 34 3HD1 LEU 34 -25.304 10.317 -17.951 246 HD21 LEU 34 1HD2 LEU 34 -24.099 11.432 -16.618 247 HD22 LEU 34 2HD2 LEU 34 -23.452 12.961 -17.213 248 HD23 LEU 34 3HD2 LEU 34 -22.382 11.574 -16.996 249 H MET 35 H MET 35 -19.591 11.513 -21.269 250 HA MET 35 HA MET 35 -17.672 11.952 -19.076 251 HB2 MET 35 2HB MET 35 -18.307 9.537 -20.125 252 HB3 MET 35 3HB MET 35 -16.975 9.994 -21.178 253 HG2 MET 35 2HG MET 35 -16.043 10.589 -18.649 254 HG3 MET 35 3HG MET 35 -16.948 9.094 -18.426 255 HE1 MET 35 1HE MET 35 -16.624 7.819 -21.337 256 HE2 MET 35 2HE MET 35 -15.207 6.790 -21.129 257 HE3 MET 35 3HE MET 35 -16.447 6.849 -19.875 258 H VAL 36 H VAL 36 -18.567 13.631 -21.451 259 HA VAL 36 HA VAL 36 -15.958 14.616 -22.120 260 HB VAL 36 HB VAL 36 -17.451 12.957 -24.065 261 HG11 VAL 36 1HG1 VAL 36 -16.369 14.295 -25.945 262 HG12 VAL 36 2HG1 VAL 36 -17.813 14.982 -25.200 263 HG13 VAL 36 3HG1 VAL 36 -16.217 15.603 -24.773 264 HG21 VAL 36 1HG2 VAL 36 -14.668 13.476 -23.228 265 HG22 VAL 36 2HG2 VAL 36 -15.460 11.961 -23.660 266 HG23 VAL 36 3HG2 VAL 36 -14.908 13.058 -24.925 267 H GLY 37 H GLY 37 -19.430 14.652 -22.775 268 HA2 GLY 37 2HA GLY 37 -19.632 17.143 -24.013 269 HA3 GLY 37 3HA GLY 37 -20.900 16.392 -23.054 270 H GLY 38 H GLY 38 -18.534 18.857 -23.198 271 HA2 GLY 38 2HA GLY 38 -18.620 20.804 -21.866 272 HA3 GLY 38 3HA GLY 38 -19.499 19.900 -20.642 273 H VAL 39 H VAL 39 -17.443 17.691 -20.932 274 HA VAL 39 HA VAL 39 -15.631 18.742 -18.929 275 HB VAL 39 HB VAL 39 -15.826 15.965 -20.106 276 HG11 VAL 39 1HG1 VAL 39 -13.633 16.242 -19.246 277 HG12 VAL 39 2HG1 VAL 39 -14.228 17.070 -17.807 278 HG13 VAL 39 3HG1 VAL 39 -14.543 15.349 -18.029 279 HG21 VAL 39 1HG2 VAL 39 -16.634 15.837 -17.486 280 HG22 VAL 39 2HG2 VAL 39 -17.326 17.365 -18.031 281 HG23 VAL 39 3HG2 VAL 39 -17.702 15.871 -18.889 282 H VAL 40 H VAL 40 -15.582 17.893 -22.300 283 HA VAL 40 HA VAL 40 -12.704 17.848 -22.497 284 HB VAL 40 HB VAL 40 -14.142 16.492 -24.000 285 HG11 VAL 40 1HG1 VAL 40 -15.555 17.391 -25.588 286 HG12 VAL 40 2HG1 VAL 40 -15.801 18.488 -24.228 287 HG13 VAL 40 3HG1 VAL 40 -14.754 18.962 -25.566 288 HG21 VAL 40 1HG2 VAL 40 -12.819 16.804 -25.950 289 HG22 VAL 40 2HG2 VAL 40 -12.519 18.497 -25.556 290 HG23 VAL 40 3HG2 VAL 40 -11.802 17.222 -24.571 291 H ILE 41 H ILE 41 -11.416 19.368 -23.596 292 HA ILE 41 HA ILE 41 -12.634 21.966 -24.186 293 HB ILE 41 HB ILE 41 -10.208 21.635 -22.417 294 HG12 ILE 41 2HG1 ILE 41 -11.985 23.063 -20.959 295 HG13 ILE 41 3HG1 ILE 41 -13.090 22.046 -21.878 296 HG21 ILE 41 1HG2 ILE 41 -9.993 23.575 -23.837 297 HG22 ILE 41 2HG2 ILE 41 -11.619 24.107 -23.409 298 HG23 ILE 41 3HG2 ILE 41 -10.347 24.090 -22.188 299 HD11 ILE 41 1HD1 ILE 41 -12.665 20.918 -19.859 300 HD12 ILE 41 2HD1 ILE 41 -11.723 20.078 -21.092 301 HD13 ILE 41 3HD1 ILE 41 -10.928 21.194 -19.982 302 H ALA 42 H ALA 42 -12.110 22.384 -26.221 303 HA ALA 42 HA ALA 42 -10.001 21.151 -27.624 304 HB1 ALA 42 1HB ALA 42 -10.549 22.654 -29.441 305 HB2 ALA 42 2HB ALA 42 -12.028 22.042 -28.700 306 HB3 ALA 42 3HB ALA 42 -11.476 23.680 -28.347 Start of MODEL 6 1 H1 ASP 1 H ASP 1 0.503 3.008 -5.037 2 HA ASP 1 HA ASP 1 -1.483 1.788 -6.839 3 HB2 ASP 1 2HB ASP 1 1.377 2.594 -7.255 4 HB3 ASP 1 3HB ASP 1 0.668 1.318 -8.241 5 H ALA 2 H ALA 2 1.826 0.958 -5.814 6 HA ALA 2 HA ALA 2 1.189 -1.841 -5.755 7 HB1 ALA 2 1HB ALA 2 3.693 -0.545 -4.704 8 HB2 ALA 2 2HB ALA 2 3.479 -2.204 -5.264 9 HB3 ALA 2 3HB ALA 2 3.417 -0.870 -6.415 10 H GLU 3 H GLU 3 1.691 0.704 -3.369 11 HA GLU 3 HA GLU 3 1.774 -0.918 -1.077 12 HB2 GLU 3 2HB GLU 3 0.660 1.884 -1.226 13 HB3 GLU 3 3HB GLU 3 1.348 1.085 0.180 14 HG2 GLU 3 2HG GLU 3 3.298 1.035 -1.867 15 HG3 GLU 3 3HG GLU 3 2.647 2.671 -1.782 16 H PHE 4 H PHE 4 -0.955 0.835 -2.549 17 HA PHE 4 HA PHE 4 -2.937 0.041 -0.774 18 HB2 PHE 4 2HB PHE 4 -3.009 0.782 -3.690 19 HB3 PHE 4 3HB PHE 4 -4.477 0.338 -2.825 20 HD1 PHE 4 HD1 PHE 4 -2.907 3.042 -4.026 21 HD2 PHE 4 HD2 PHE 4 -4.339 1.578 -0.295 22 HE1 PHE 4 HE1 PHE 4 -3.114 5.351 -3.203 23 HE2 PHE 4 HE2 PHE 4 -4.549 3.885 0.534 24 HZ PHE 4 HZ PHE 4 -3.937 5.775 -0.921 25 H ARG 5 H ARG 5 -1.499 -1.673 -3.464 26 HA ARG 5 HA ARG 5 -3.410 -3.866 -3.191 27 HB2 ARG 5 2HB ARG 5 -1.401 -3.055 -5.239 28 HB3 ARG 5 3HB ARG 5 -1.803 -4.762 -5.110 29 HG2 ARG 5 2HG ARG 5 -3.155 -3.675 -6.805 30 HG3 ARG 5 3HG ARG 5 -4.160 -4.239 -5.468 31 HD2 ARG 5 2HD ARG 5 -3.162 -1.497 -5.176 32 HD3 ARG 5 3HD ARG 5 -4.249 -1.739 -6.543 33 HE ARG 5 HE ARG 5 -5.234 -2.867 -4.097 34 HH11 ARG 5 1HH1 ARG 5 -5.003 0.034 -6.007 35 HH12 ARG 5 2HH1 ARG 5 -6.409 0.764 -5.306 36 HH21 ARG 5 1HH2 ARG 5 -7.087 -1.917 -3.165 37 HH22 ARG 5 2HH2 ARG 5 -7.593 -0.346 -3.688 38 H HIS 6 H HIS 6 -1.286 -3.145 -1.185 39 HA HIS 6 HA HIS 6 0.297 -5.621 -1.237 40 HB2 HIS 6 2HB HIS 6 1.203 -3.117 -0.868 41 HB3 HIS 6 3HB HIS 6 0.842 -3.536 0.804 42 HD1 HIS 6 HD1 HIS 6 3.738 -3.122 -0.503 43 HD2 HIS 6 HD2 HIS 6 1.911 -6.739 0.416 44 HE1 HIS 6 HE1 HIS 6 5.615 -4.774 -0.231 45 H ASP 7 H ASP 7 -2.537 -5.445 -0.473 46 HA ASP 7 HA ASP 7 -2.447 -5.975 2.403 47 HB2 ASP 7 2HB ASP 7 -4.516 -5.116 0.497 48 HB3 ASP 7 3HB ASP 7 -5.067 -6.298 1.681 49 H SER 8 H SER 8 -2.066 -7.987 3.027 50 HA SER 8 HA SER 8 -2.267 -10.222 1.279 51 HB2 SER 8 2HB SER 8 -1.079 -11.306 2.869 52 HB3 SER 8 3HB SER 8 -0.917 -9.715 3.611 53 HG SER 8 HG SER 8 -2.890 -10.237 4.773 54 H GLY 9 H GLY 9 -4.476 -8.649 3.384 55 HA2 GLY 9 2HA GLY 9 -6.345 -10.924 3.116 56 HA3 GLY 9 3HA GLY 9 -6.334 -9.840 4.500 57 H TYR 10 H TYR 10 -5.964 -7.435 2.923 58 HA TYR 10 HA TYR 10 -8.731 -6.996 2.240 59 HB2 TYR 10 2HB TYR 10 -6.687 -5.400 3.225 60 HB3 TYR 10 3HB TYR 10 -6.902 -4.824 1.576 61 HD1 TYR 10 HD1 TYR 10 -9.352 -4.302 0.859 62 HD2 TYR 10 HD2 TYR 10 -8.075 -4.602 4.907 63 HE1 TYR 10 HE1 TYR 10 -11.310 -2.994 1.568 64 HE2 TYR 10 HE2 TYR 10 -10.030 -3.295 5.626 65 HH TYR 10 HH TYR 10 -11.595 -1.472 4.353 66 H GLU 11 H GLU 11 -5.806 -7.712 0.573 67 HA GLU 11 HA GLU 11 -7.104 -7.104 -2.002 68 HB2 GLU 11 2HB GLU 11 -4.816 -6.020 -1.252 69 HB3 GLU 11 3HB GLU 11 -4.159 -7.560 -1.788 70 HG2 GLU 11 2HG GLU 11 -5.959 -6.571 -3.768 71 HG3 GLU 11 3HG GLU 11 -4.809 -5.307 -3.340 72 H VAL 12 H VAL 12 -8.134 -9.281 -1.358 73 HA VAL 12 HA VAL 12 -6.663 -11.363 -2.784 74 HB VAL 12 HB VAL 12 -8.076 -12.438 -0.458 75 HG11 VAL 12 1HG1 VAL 12 -5.651 -12.934 -2.052 76 HG12 VAL 12 2HG1 VAL 12 -5.554 -13.397 -0.352 77 HG13 VAL 12 3HG1 VAL 12 -6.821 -14.069 -1.379 78 HG21 VAL 12 1HG2 VAL 12 -7.218 -10.414 0.590 79 HG22 VAL 12 2HG2 VAL 12 -6.347 -11.833 1.172 80 HG23 VAL 12 3HG2 VAL 12 -5.601 -10.768 -0.019 81 H HIS 13 H HIS 13 -8.531 -13.426 -2.092 82 HA HIS 13 HA HIS 13 -10.387 -13.255 -4.090 83 HB2 HIS 13 2HB HIS 13 -10.534 -15.371 -3.350 84 HB3 HIS 13 3HB HIS 13 -10.011 -14.923 -1.729 85 HD1 HIS 13 HD1 HIS 13 -13.033 -15.646 -3.753 86 HD2 HIS 13 HD2 HIS 13 -12.116 -14.295 0.067 87 HE1 HIS 13 HE1 HIS 13 -15.175 -15.817 -2.448 88 H HIS 14 H HIS 14 -10.509 -11.782 -0.955 89 HA HIS 14 HA HIS 14 -13.144 -11.345 -0.457 90 HB2 HIS 14 2HB HIS 14 -10.867 -10.352 0.587 91 HB3 HIS 14 3HB HIS 14 -11.448 -8.921 -0.258 92 HD1 HIS 14 HD1 HIS 14 -14.424 -9.044 0.276 93 HD2 HIS 14 HD2 HIS 14 -11.560 -9.893 3.164 94 HE1 HIS 14 HE1 HIS 14 -15.568 -8.678 2.486 95 H GLN 15 H GLN 15 -11.203 -9.851 -2.965 96 HA GLN 15 HA GLN 15 -13.587 -8.392 -3.893 97 HB2 GLN 15 2HB GLN 15 -10.732 -7.801 -4.664 98 HB3 GLN 15 3HB GLN 15 -12.149 -6.795 -4.933 99 HG2 GLN 15 2HG GLN 15 -12.244 -6.103 -2.739 100 HG3 GLN 15 3HG GLN 15 -11.344 -7.500 -2.150 101 HE21 GLN 15 1HE2 GLN 15 -9.116 -7.537 -3.605 102 HE22 GLN 15 2HE2 GLN 15 -8.200 -6.088 -3.388 103 H LYS 16 H LYS 16 -14.533 -9.917 -5.183 104 HA LYS 16 HA LYS 16 -12.984 -10.730 -7.550 105 HB2 LYS 16 2HB LYS 16 -13.307 -12.627 -5.958 106 HB3 LYS 16 3HB LYS 16 -15.045 -12.438 -6.144 107 HG2 LYS 16 2HG LYS 16 -15.032 -13.223 -8.318 108 HG3 LYS 16 3HG LYS 16 -13.317 -12.869 -8.543 109 HD2 LYS 16 2HD LYS 16 -12.643 -14.756 -7.384 110 HD3 LYS 16 3HD LYS 16 -14.168 -14.885 -6.505 111 HE2 LYS 16 2HE LYS 16 -15.229 -15.382 -8.773 112 HE3 LYS 16 3HE LYS 16 -13.584 -15.613 -9.361 113 HZ1 LYS 16 1HZ LYS 16 -15.096 -17.541 -8.266 114 HZ2 LYS 16 2HZ LYS 16 -14.196 -17.037 -6.926 115 HZ3 LYS 16 3HZ LYS 16 -13.405 -17.571 -8.323 116 H LEU 17 H LEU 17 -15.488 -8.946 -6.444 117 HA LEU 17 HA LEU 17 -17.025 -9.293 -8.935 118 HB2 LEU 17 2HB LEU 17 -18.188 -8.082 -6.459 119 HB3 LEU 17 3HB LEU 17 -19.014 -8.818 -7.831 120 HG LEU 17 HG LEU 17 -17.401 -10.363 -5.805 121 HD11 LEU 17 1HD1 LEU 17 -20.072 -11.016 -5.503 122 HD12 LEU 17 2HD1 LEU 17 -20.074 -9.259 -5.648 123 HD13 LEU 17 3HD1 LEU 17 -19.097 -10.040 -4.404 124 HD21 LEU 17 1HD2 LEU 17 -17.519 -11.609 -7.791 125 HD22 LEU 17 2HD2 LEU 17 -19.188 -11.125 -8.097 126 HD23 LEU 17 3HD2 LEU 17 -18.820 -12.239 -6.780 127 H VAL 18 H VAL 18 -15.418 -7.107 -6.774 128 HA VAL 18 HA VAL 18 -16.399 -4.726 -8.093 129 HB VAL 18 HB VAL 18 -15.791 -4.836 -5.638 130 HG11 VAL 18 1HG1 VAL 18 -12.974 -4.264 -6.282 131 HG12 VAL 18 2HG1 VAL 18 -13.676 -5.132 -4.915 132 HG13 VAL 18 3HG1 VAL 18 -13.476 -5.944 -6.469 133 HG21 VAL 18 1HG2 VAL 18 -15.779 -2.764 -7.375 134 HG22 VAL 18 2HG2 VAL 18 -15.531 -2.596 -5.637 135 HG23 VAL 18 3HG2 VAL 18 -14.144 -2.651 -6.724 136 H PHE 19 H PHE 19 -14.342 -7.022 -9.066 137 HA PHE 19 HA PHE 19 -12.252 -5.283 -10.105 138 HB2 PHE 19 2HB PHE 19 -11.940 -7.695 -9.185 139 HB3 PHE 19 3HB PHE 19 -12.531 -8.200 -10.765 140 HD1 PHE 19 HD1 PHE 19 -10.129 -5.635 -9.498 141 HD2 PHE 19 HD2 PHE 19 -10.870 -8.840 -12.198 142 HE1 PHE 19 HE1 PHE 19 -7.862 -5.378 -10.420 143 HE2 PHE 19 HE2 PHE 19 -8.605 -8.589 -13.124 144 HZ PHE 19 HZ PHE 19 -7.097 -6.857 -12.235 145 H PHE 20 H PHE 20 -15.195 -5.360 -10.979 146 HA PHE 20 HA PHE 20 -14.626 -5.072 -13.805 147 HB2 PHE 20 2HB PHE 20 -15.931 -7.421 -12.752 148 HB3 PHE 20 3HB PHE 20 -17.026 -6.534 -13.807 149 HD1 PHE 20 HD1 PHE 20 -16.179 -5.914 -16.134 150 HD2 PHE 20 HD2 PHE 20 -14.291 -8.803 -13.642 151 HE1 PHE 20 HE1 PHE 20 -15.066 -6.881 -18.104 152 HE2 PHE 20 HE2 PHE 20 -13.174 -9.773 -15.608 153 HZ PHE 20 HZ PHE 20 -13.561 -8.812 -17.842 154 H ALA 21 H ALA 21 -15.604 -3.561 -11.345 155 HA ALA 21 HA ALA 21 -18.030 -2.428 -12.582 156 HB1 ALA 21 1HB ALA 21 -17.785 -3.534 -10.039 157 HB2 ALA 21 2HB ALA 21 -17.781 -1.789 -9.779 158 HB3 ALA 21 3HB ALA 21 -19.116 -2.548 -10.646 159 H GLU 22 H GLU 22 -14.946 -1.816 -11.059 160 HA GLU 22 HA GLU 22 -15.270 1.048 -11.042 161 HB2 GLU 22 2HB GLU 22 -13.741 -0.548 -9.557 162 HB3 GLU 22 3HB GLU 22 -12.580 -0.215 -10.834 163 HG2 GLU 22 2HG GLU 22 -13.938 1.780 -9.042 164 HG3 GLU 22 3HG GLU 22 -12.231 1.342 -9.063 165 H ASP 23 H ASP 23 -15.887 0.585 -13.499 166 HA ASP 23 HA ASP 23 -13.982 1.942 -15.051 167 HB2 ASP 23 2HB ASP 23 -12.700 -0.095 -15.065 168 HB3 ASP 23 3HB ASP 23 -14.119 -1.043 -15.499 169 H VAL 24 H VAL 24 -16.653 -0.372 -15.095 170 HA VAL 24 HA VAL 24 -17.686 0.553 -17.607 171 HB VAL 24 HB VAL 24 -19.047 -1.120 -15.491 172 HG11 VAL 24 1HG1 VAL 24 -20.479 -1.855 -17.371 173 HG12 VAL 24 2HG1 VAL 24 -20.653 -0.139 -17.000 174 HG13 VAL 24 3HG1 VAL 24 -19.703 -0.648 -18.396 175 HG21 VAL 24 1HG2 VAL 24 -17.008 -2.187 -16.250 176 HG22 VAL 24 2HG2 VAL 24 -18.408 -3.034 -16.908 177 HG23 VAL 24 3HG2 VAL 24 -17.477 -1.942 -17.933 178 H GLY 25 H GLY 25 -19.159 0.586 -14.351 179 HA2 GLY 25 2HA GLY 25 -21.174 2.415 -14.921 180 HA3 GLY 25 3HA GLY 25 -20.507 2.131 -13.320 181 H SER 26 H SER 26 -17.802 2.976 -14.349 182 HA SER 26 HA SER 26 -18.311 5.879 -14.308 183 HB2 SER 26 2HB SER 26 -15.884 5.901 -13.347 184 HB3 SER 26 3HB SER 26 -17.224 5.468 -12.286 185 HG SER 26 HG SER 26 -15.657 3.574 -13.699 186 H ASN 27 H ASN 27 -18.438 5.715 -16.663 187 HA ASN 27 HA ASN 27 -15.888 5.220 -18.010 188 HB2 ASN 27 2HB ASN 27 -18.484 4.602 -18.713 189 HB3 ASN 27 3HB ASN 27 -18.144 6.025 -19.693 190 HD21 ASN 27 1HD2 ASN 27 -17.785 2.704 -19.406 191 HD22 ASN 27 2HD2 ASN 27 -16.648 2.458 -20.684 192 H LYS 28 H LYS 28 -16.117 7.525 -16.349 193 HA LYS 28 HA LYS 28 -15.783 9.622 -18.385 194 HB2 LYS 28 2HB LYS 28 -16.817 11.256 -16.961 195 HB3 LYS 28 3HB LYS 28 -17.926 9.901 -17.132 196 HG2 LYS 28 2HG LYS 28 -16.076 9.903 -14.811 197 HG3 LYS 28 3HG LYS 28 -17.442 11.020 -14.795 198 HD2 LYS 28 2HD LYS 28 -19.006 9.309 -14.808 199 HD3 LYS 28 3HD LYS 28 -17.867 8.138 -15.479 200 HE2 LYS 28 2HE LYS 28 -16.862 7.750 -13.439 201 HE3 LYS 28 3HE LYS 28 -17.351 9.312 -12.783 202 HZ1 LYS 28 1HZ LYS 28 -19.442 7.374 -13.455 203 HZ2 LYS 28 2HZ LYS 28 -19.408 8.543 -12.233 204 HZ3 LYS 28 3HZ LYS 28 -18.531 7.108 -12.054 205 H GLY 29 H GLY 29 -15.054 11.625 -16.474 206 HA2 GLY 29 2HA GLY 29 -13.120 12.457 -15.552 207 HA3 GLY 29 3HA GLY 29 -13.095 10.949 -14.649 208 H ALA 30 H ALA 30 -12.836 11.160 -18.144 209 HA ALA 30 HA ALA 30 -10.025 11.140 -18.324 210 HB1 ALA 30 1HB ALA 30 -10.546 8.483 -19.176 211 HB2 ALA 30 2HB ALA 30 -9.462 9.038 -17.900 212 HB3 ALA 30 3HB ALA 30 -11.143 8.658 -17.525 213 H ILE 31 H ILE 31 -13.115 10.202 -19.693 214 HA ILE 31 HA ILE 31 -12.065 10.849 -22.371 215 HB ILE 31 HB ILE 31 -14.565 9.343 -22.345 216 HG12 ILE 31 2HG1 ILE 31 -12.085 8.176 -21.090 217 HG13 ILE 31 3HG1 ILE 31 -13.727 8.183 -20.455 218 HG21 ILE 31 1HG2 ILE 31 -13.493 8.123 -24.112 219 HG22 ILE 31 2HG2 ILE 31 -13.147 9.839 -24.323 220 HG23 ILE 31 3HG2 ILE 31 -11.915 8.766 -23.658 221 HD11 ILE 31 1HD1 ILE 31 -14.314 6.723 -22.463 222 HD12 ILE 31 2HD1 ILE 31 -12.573 6.504 -22.646 223 HD13 ILE 31 3HD1 ILE 31 -13.375 5.995 -21.160 224 H ILE 32 H ILE 32 -13.021 12.810 -20.570 225 HA ILE 32 HA ILE 32 -15.744 13.459 -21.170 226 HB ILE 32 HB ILE 32 -14.818 14.240 -19.091 227 HG12 ILE 32 2HG1 ILE 32 -15.386 16.623 -19.219 228 HG13 ILE 32 3HG1 ILE 32 -15.230 16.576 -20.972 229 HG21 ILE 32 1HG2 ILE 32 -12.671 14.798 -18.992 230 HG22 ILE 32 2HG2 ILE 32 -12.575 14.941 -20.746 231 HG23 ILE 32 3HG2 ILE 32 -13.082 16.323 -19.775 232 HD11 ILE 32 1HD1 ILE 32 -17.546 16.521 -20.395 233 HD12 ILE 32 2HD1 ILE 32 -17.091 14.941 -21.034 234 HD13 ILE 32 3HD1 ILE 32 -17.289 15.165 -19.296 235 H GLY 33 H GLY 33 -12.702 14.018 -22.694 236 HA2 GLY 33 2HA GLY 33 -13.884 16.090 -24.422 237 HA3 GLY 33 3HA GLY 33 -12.163 15.791 -24.228 238 H LEU 34 H LEU 34 -13.139 12.793 -24.383 239 HA LEU 34 HA LEU 34 -12.998 12.699 -27.321 240 HB2 LEU 34 2HB LEU 34 -11.638 11.254 -25.224 241 HB3 LEU 34 3HB LEU 34 -12.467 10.149 -26.318 242 HG LEU 34 HG LEU 34 -10.438 12.227 -27.140 243 HD11 LEU 34 1HD1 LEU 34 -9.225 9.984 -27.744 244 HD12 LEU 34 2HD1 LEU 34 -10.242 9.334 -26.459 245 HD13 LEU 34 3HD1 LEU 34 -9.125 10.654 -26.116 246 HD21 LEU 34 1HD2 LEU 34 -12.351 10.606 -28.613 247 HD22 LEU 34 2HD2 LEU 34 -10.689 10.353 -29.144 248 HD23 LEU 34 3HD2 LEU 34 -11.378 11.976 -29.147 249 H MET 35 H MET 35 -14.849 11.805 -24.546 250 HA MET 35 HA MET 35 -16.732 10.351 -26.286 251 HB2 MET 35 2HB MET 35 -15.461 9.297 -24.129 252 HB3 MET 35 3HB MET 35 -16.925 9.914 -23.374 253 HG2 MET 35 2HG MET 35 -18.301 8.502 -24.581 254 HG3 MET 35 3HG MET 35 -17.095 8.239 -25.839 255 HE1 MET 35 1HE MET 35 -16.162 7.283 -21.674 256 HE2 MET 35 2HE MET 35 -17.568 8.212 -22.195 257 HE3 MET 35 3HE MET 35 -17.733 6.495 -21.824 258 H VAL 36 H VAL 36 -16.435 13.269 -25.443 259 HA VAL 36 HA VAL 36 -19.245 13.751 -25.087 260 HB VAL 36 HB VAL 36 -17.363 14.082 -22.815 261 HG11 VAL 36 1HG1 VAL 36 -19.416 16.123 -23.603 262 HG12 VAL 36 2HG1 VAL 36 -18.954 15.881 -21.917 263 HG13 VAL 36 3HG1 VAL 36 -17.743 16.370 -23.103 264 HG21 VAL 36 1HG2 VAL 36 -18.882 12.518 -22.222 265 HG22 VAL 36 2HG2 VAL 36 -19.839 13.929 -21.771 266 HG23 VAL 36 3HG2 VAL 36 -20.112 13.138 -23.323 267 H GLY 37 H GLY 37 -15.963 15.062 -25.128 268 HA2 GLY 37 2HA GLY 37 -16.509 17.742 -25.590 269 HA3 GLY 37 3HA GLY 37 -15.089 16.899 -26.191 270 H GLY 38 H GLY 38 -15.790 15.319 -28.116 271 HA2 GLY 38 2HA GLY 38 -16.928 17.120 -30.112 272 HA3 GLY 38 3HA GLY 38 -16.032 15.643 -30.434 273 H VAL 39 H VAL 39 -18.519 15.470 -28.069 274 HA VAL 39 HA VAL 39 -20.267 14.123 -30.025 275 HB VAL 39 HB VAL 39 -19.931 13.481 -27.092 276 HG11 VAL 39 1HG1 VAL 39 -21.310 11.415 -27.967 277 HG12 VAL 39 2HG1 VAL 39 -22.117 12.897 -27.449 278 HG13 VAL 39 3HG1 VAL 39 -21.867 12.581 -29.167 279 HG21 VAL 39 1HG2 VAL 39 -18.030 12.749 -28.425 280 HG22 VAL 39 2HG2 VAL 39 -18.983 11.365 -27.889 281 HG23 VAL 39 3HG2 VAL 39 -19.116 11.936 -29.552 282 H VAL 40 H VAL 40 -20.433 15.593 -26.775 283 HA VAL 40 HA VAL 40 -22.927 16.922 -27.613 284 HB VAL 40 HB VAL 40 -23.437 15.106 -26.046 285 HG11 VAL 40 1HG1 VAL 40 -22.463 14.822 -23.990 286 HG12 VAL 40 2HG1 VAL 40 -21.097 15.465 -24.903 287 HG13 VAL 40 3HG1 VAL 40 -22.025 16.524 -23.840 288 HG21 VAL 40 1HG2 VAL 40 -24.709 17.271 -26.055 289 HG22 VAL 40 2HG2 VAL 40 -24.808 16.355 -24.551 290 HG23 VAL 40 3HG2 VAL 40 -23.749 17.762 -24.659 291 H ILE 41 H ILE 41 -23.260 19.016 -26.902 292 HA ILE 41 HA ILE 41 -21.088 20.265 -25.365 293 HB ILE 41 HB ILE 41 -22.326 21.441 -27.858 294 HG12 ILE 41 2HG1 ILE 41 -19.740 21.312 -28.462 295 HG13 ILE 41 3HG1 ILE 41 -19.783 19.975 -27.317 296 HG21 ILE 41 1HG2 ILE 41 -20.460 23.139 -27.509 297 HG22 ILE 41 2HG2 ILE 41 -21.846 23.236 -26.425 298 HG23 ILE 41 3HG2 ILE 41 -20.342 22.502 -25.869 299 HD11 ILE 41 1HD1 ILE 41 -21.948 19.475 -28.924 300 HD12 ILE 41 2HD1 ILE 41 -20.754 20.127 -30.047 301 HD13 ILE 41 3HD1 ILE 41 -20.359 18.723 -29.057 302 H ALA 42 H ALA 42 -21.934 21.116 -23.593 303 HA ALA 42 HA ALA 42 -24.739 21.920 -23.553 304 HB1 ALA 42 1HB ALA 42 -22.944 22.038 -21.167 305 HB2 ALA 42 2HB ALA 42 -24.676 21.718 -21.253 306 HB3 ALA 42 3HB ALA 42 -23.525 20.483 -21.762 Start of MODEL 7 1 H1 ASP 1 H ASP 1 3.583 1.948 -8.104 2 HA ASP 1 HA ASP 1 1.037 2.056 -9.297 3 HB2 ASP 1 2HB ASP 1 3.328 1.742 -10.418 4 HB3 ASP 1 3HB ASP 1 3.148 0.035 -10.025 5 H ALA 2 H ALA 2 2.781 -0.908 -8.354 6 HA ALA 2 HA ALA 2 0.203 -2.239 -7.973 7 HB1 ALA 2 1HB ALA 2 2.790 -3.691 -7.732 8 HB2 ALA 2 2HB ALA 2 1.246 -4.233 -8.392 9 HB3 ALA 2 3HB ALA 2 2.271 -3.144 -9.326 10 H GLU 3 H GLU 3 1.432 -0.285 -6.060 11 HA GLU 3 HA GLU 3 2.173 -1.870 -3.764 12 HB2 GLU 3 2HB GLU 3 1.579 1.088 -3.961 13 HB3 GLU 3 3HB GLU 3 2.325 0.273 -2.593 14 HG2 GLU 3 2HG GLU 3 4.311 -0.104 -3.740 15 HG3 GLU 3 3HG GLU 3 3.561 0.155 -5.314 16 H PHE 4 H PHE 4 -0.511 0.350 -4.526 17 HA PHE 4 HA PHE 4 -2.022 -0.106 -2.234 18 HB2 PHE 4 2HB PHE 4 -2.303 1.517 -4.368 19 HB3 PHE 4 3HB PHE 4 -3.516 0.303 -4.762 20 HD1 PHE 4 HD1 PHE 4 -2.535 2.922 -2.400 21 HD2 PHE 4 HD2 PHE 4 -5.513 0.066 -3.445 22 HE1 PHE 4 HE1 PHE 4 -4.117 4.016 -0.866 23 HE2 PHE 4 HE2 PHE 4 -7.101 1.157 -1.914 24 HZ PHE 4 HZ PHE 4 -6.404 3.135 -0.623 25 H ARG 5 H ARG 5 -1.697 -1.997 -5.146 26 HA ARG 5 HA ARG 5 -3.877 -3.771 -4.361 27 HB2 ARG 5 2HB ARG 5 -2.403 -3.208 -6.845 28 HB3 ARG 5 3HB ARG 5 -2.778 -4.907 -6.589 29 HG2 ARG 5 2HG ARG 5 -4.503 -3.823 -7.904 30 HG3 ARG 5 3HG ARG 5 -5.143 -4.353 -6.347 31 HD2 ARG 5 2HD ARG 5 -5.404 -2.218 -5.572 32 HD3 ARG 5 3HD ARG 5 -4.078 -1.587 -6.549 33 HE ARG 5 HE ARG 5 -5.949 -2.245 -8.390 34 HH11 ARG 5 1HH1 ARG 5 -6.014 -0.325 -5.487 35 HH12 ARG 5 2HH1 ARG 5 -7.254 0.740 -6.063 36 HH21 ARG 5 1HH2 ARG 5 -7.582 -0.851 -9.160 37 HH22 ARG 5 2HH2 ARG 5 -8.146 0.439 -8.152 38 H HIS 6 H HIS 6 -1.148 -3.488 -3.014 39 HA HIS 6 HA HIS 6 -0.257 -6.279 -3.259 40 HB2 HIS 6 2HB HIS 6 1.225 -3.960 -3.306 41 HB3 HIS 6 3HB HIS 6 1.401 -4.489 -1.635 42 HD1 HIS 6 HD1 HIS 6 3.561 -4.534 -4.082 43 HD2 HIS 6 HD2 HIS 6 1.594 -7.750 -2.336 44 HE1 HIS 6 HE1 HIS 6 5.007 -6.538 -4.546 45 H ASP 7 H ASP 7 -2.608 -5.324 -1.745 46 HA ASP 7 HA ASP 7 -1.825 -5.672 1.036 47 HB2 ASP 7 2HB ASP 7 -4.595 -5.307 -0.122 48 HB3 ASP 7 3HB ASP 7 -4.131 -5.156 1.570 49 H SER 8 H SER 8 -1.540 -7.659 1.784 50 HA SER 8 HA SER 8 -2.585 -9.975 0.497 51 HB2 SER 8 2HB SER 8 -1.408 -11.228 2.117 52 HB3 SER 8 3HB SER 8 -0.430 -9.780 1.884 53 HG SER 8 HG SER 8 -1.615 -8.926 3.756 54 H GLY 9 H GLY 9 -3.968 -7.762 2.595 55 HA2 GLY 9 2HA GLY 9 -6.017 -9.736 3.396 56 HA3 GLY 9 3HA GLY 9 -5.490 -8.446 4.466 57 H TYR 10 H TYR 10 -5.325 -6.589 2.109 58 HA TYR 10 HA TYR 10 -8.155 -5.856 2.124 59 HB2 TYR 10 2HB TYR 10 -5.825 -4.369 2.419 60 HB3 TYR 10 3HB TYR 10 -6.361 -3.991 0.786 61 HD1 TYR 10 HD1 TYR 10 -7.812 -2.218 0.527 62 HD2 TYR 10 HD2 TYR 10 -7.794 -4.321 4.225 63 HE1 TYR 10 HE1 TYR 10 -9.459 -0.630 1.431 64 HE2 TYR 10 HE2 TYR 10 -9.442 -2.741 5.139 65 HH TYR 10 HH TYR 10 -11.251 -1.183 4.136 66 H GLU 11 H GLU 11 -5.706 -7.079 0.033 67 HA GLU 11 HA GLU 11 -7.457 -6.667 -2.299 68 HB2 GLU 11 2HB GLU 11 -4.967 -5.802 -2.178 69 HB3 GLU 11 3HB GLU 11 -4.593 -7.471 -2.585 70 HG2 GLU 11 2HG GLU 11 -6.654 -6.187 -4.246 71 HG3 GLU 11 3HG GLU 11 -5.024 -5.534 -4.399 72 H VAL 12 H VAL 12 -8.069 -8.710 -0.533 73 HA VAL 12 HA VAL 12 -7.168 -11.131 -1.951 74 HB VAL 12 HB VAL 12 -8.611 -11.541 0.567 75 HG11 VAL 12 1HG1 VAL 12 -6.797 -12.902 -1.073 76 HG12 VAL 12 2HG1 VAL 12 -5.940 -12.600 0.440 77 HG13 VAL 12 3HG1 VAL 12 -7.485 -13.453 0.455 78 HG21 VAL 12 1HG2 VAL 12 -7.512 -9.573 1.315 79 HG22 VAL 12 2HG2 VAL 12 -6.586 -10.938 1.940 80 HG23 VAL 12 3HG2 VAL 12 -5.999 -10.042 0.539 81 H HIS 13 H HIS 13 -9.229 -12.788 -0.867 82 HA HIS 13 HA HIS 13 -11.130 -12.759 -2.831 83 HB2 HIS 13 2HB HIS 13 -11.508 -14.674 -1.722 84 HB3 HIS 13 3HB HIS 13 -10.840 -14.024 -0.227 85 HD1 HIS 13 HD1 HIS 13 -14.048 -14.642 -1.998 86 HD2 HIS 13 HD2 HIS 13 -12.737 -12.880 1.528 87 HE1 HIS 13 HE1 HIS 13 -16.113 -14.322 -0.598 88 H HIS 14 H HIS 14 -10.969 -10.754 -0.006 89 HA HIS 14 HA HIS 14 -13.522 -9.927 0.437 90 HB2 HIS 14 2HB HIS 14 -11.068 -9.032 1.213 91 HB3 HIS 14 3HB HIS 14 -11.616 -7.688 0.216 92 HD1 HIS 14 HD1 HIS 14 -14.643 -7.835 1.018 93 HD2 HIS 14 HD2 HIS 14 -11.445 -7.870 3.670 94 HE1 HIS 14 HE1 HIS 14 -15.574 -7.014 3.206 95 H GLN 15 H GLN 15 -11.450 -9.020 -2.262 96 HA GLN 15 HA GLN 15 -13.809 -7.921 -3.616 97 HB2 GLN 15 2HB GLN 15 -12.288 -6.144 -4.594 98 HB3 GLN 15 3HB GLN 15 -12.711 -5.950 -2.898 99 HG2 GLN 15 2HG GLN 15 -10.428 -5.458 -3.036 100 HG3 GLN 15 3HG GLN 15 -10.518 -7.083 -2.359 101 HE21 GLN 15 1HE2 GLN 15 -8.943 -8.293 -3.105 102 HE22 GLN 15 2HE2 GLN 15 -8.350 -8.316 -4.727 103 H LYS 16 H LYS 16 -13.851 -8.185 -5.844 104 HA LYS 16 HA LYS 16 -11.753 -8.961 -7.488 105 HB2 LYS 16 2HB LYS 16 -11.481 -10.994 -6.318 106 HB3 LYS 16 3HB LYS 16 -13.217 -11.248 -6.190 107 HG2 LYS 16 2HG LYS 16 -13.387 -12.114 -8.280 108 HG3 LYS 16 3HG LYS 16 -12.062 -11.134 -8.914 109 HD2 LYS 16 2HD LYS 16 -10.447 -12.607 -8.185 110 HD3 LYS 16 3HD LYS 16 -11.468 -13.253 -6.898 111 HE2 LYS 16 2HE LYS 16 -12.685 -14.592 -8.384 112 HE3 LYS 16 3HE LYS 16 -12.137 -13.684 -9.791 113 HZ1 LYS 16 1HZ LYS 16 -11.069 -15.886 -9.527 114 HZ2 LYS 16 2HZ LYS 16 -10.355 -15.342 -8.094 115 HZ3 LYS 16 3HZ LYS 16 -9.965 -14.605 -9.566 116 H LEU 17 H LEU 17 -15.148 -9.065 -6.732 117 HA LEU 17 HA LEU 17 -15.818 -9.210 -9.588 118 HB2 LEU 17 2HB LEU 17 -17.304 -9.809 -7.074 119 HB3 LEU 17 3HB LEU 17 -18.209 -9.345 -8.513 120 HG LEU 17 HG LEU 17 -18.095 -11.781 -8.212 121 HD11 LEU 17 1HD1 LEU 17 -18.371 -11.673 -10.416 122 HD12 LEU 17 2HD1 LEU 17 -16.637 -11.961 -10.556 123 HD13 LEU 17 3HD1 LEU 17 -17.260 -10.311 -10.564 124 HD21 LEU 17 1HD2 LEU 17 -15.245 -11.877 -8.980 125 HD22 LEU 17 2HD2 LEU 17 -16.184 -12.962 -7.955 126 HD23 LEU 17 3HD2 LEU 17 -15.594 -11.429 -7.310 127 H VAL 18 H VAL 18 -15.663 -7.079 -6.910 128 HA VAL 18 HA VAL 18 -17.550 -5.160 -7.966 129 HB VAL 18 HB VAL 18 -17.109 -5.486 -5.502 130 HG11 VAL 18 1HG1 VAL 18 -14.707 -3.738 -5.890 131 HG12 VAL 18 2HG1 VAL 18 -15.175 -4.695 -4.483 132 HG13 VAL 18 3HG1 VAL 18 -14.563 -5.495 -5.931 133 HG21 VAL 18 1HG2 VAL 18 -16.584 -2.635 -6.222 134 HG22 VAL 18 2HG2 VAL 18 -18.089 -3.401 -6.729 135 HG23 VAL 18 3HG2 VAL 18 -17.683 -3.305 -5.015 136 H PHE 19 H PHE 19 -14.597 -6.053 -8.963 137 HA PHE 19 HA PHE 19 -13.509 -3.393 -9.420 138 HB2 PHE 19 2HB PHE 19 -12.094 -5.418 -8.800 139 HB3 PHE 19 3HB PHE 19 -12.392 -6.007 -10.432 140 HD1 PHE 19 HD1 PHE 19 -11.503 -2.686 -8.975 141 HD2 PHE 19 HD2 PHE 19 -10.559 -5.748 -11.776 142 HE1 PHE 19 HE1 PHE 19 -9.612 -1.345 -9.799 143 HE2 PHE 19 HE2 PHE 19 -8.667 -4.412 -12.604 144 HZ PHE 19 HZ PHE 19 -8.190 -2.208 -11.615 145 H PHE 20 H PHE 20 -16.014 -4.605 -10.714 146 HA PHE 20 HA PHE 20 -15.475 -3.541 -13.355 147 HB2 PHE 20 2HB PHE 20 -15.708 -6.406 -12.836 148 HB3 PHE 20 3HB PHE 20 -16.872 -5.834 -14.026 149 HD1 PHE 20 HD1 PHE 20 -15.686 -4.020 -15.711 150 HD2 PHE 20 HD2 PHE 20 -13.796 -7.277 -13.727 151 HE1 PHE 20 HE1 PHE 20 -13.937 -4.053 -17.440 152 HE2 PHE 20 HE2 PHE 20 -12.043 -7.315 -15.453 153 HZ PHE 20 HZ PHE 20 -12.111 -5.701 -17.312 154 H ALA 21 H ALA 21 -17.194 -3.148 -10.870 155 HA ALA 21 HA ALA 21 -19.790 -3.017 -12.264 156 HB1 ALA 21 1HB ALA 21 -20.002 -2.889 -9.379 157 HB2 ALA 21 2HB ALA 21 -20.819 -3.952 -10.526 158 HB3 ALA 21 3HB ALA 21 -19.219 -4.376 -9.917 159 H GLU 22 H GLU 22 -17.444 -1.378 -10.265 160 HA GLU 22 HA GLU 22 -19.074 0.965 -9.872 161 HB2 GLU 22 2HB GLU 22 -17.051 -0.012 -8.448 162 HB3 GLU 22 3HB GLU 22 -16.118 1.041 -9.502 163 HG2 GLU 22 2HG GLU 22 -16.722 2.111 -7.379 164 HG3 GLU 22 3HG GLU 22 -17.373 2.961 -8.779 165 H ASP 23 H ASP 23 -19.288 0.756 -12.428 166 HA ASP 23 HA ASP 23 -18.114 3.090 -13.492 167 HB2 ASP 23 2HB ASP 23 -16.085 1.865 -13.747 168 HB3 ASP 23 3HB ASP 23 -16.934 0.460 -14.385 169 H VAL 24 H VAL 24 -19.630 -0.022 -14.140 170 HA VAL 24 HA VAL 24 -20.703 0.470 -16.654 171 HB VAL 24 HB VAL 24 -22.007 -1.100 -14.426 172 HG11 VAL 24 1HG1 VAL 24 -22.525 -0.832 -17.345 173 HG12 VAL 24 2HG1 VAL 24 -22.774 -2.403 -16.581 174 HG13 VAL 24 3HG1 VAL 24 -23.661 -0.990 -16.006 175 HG21 VAL 24 1HG2 VAL 24 -19.805 -1.950 -14.717 176 HG22 VAL 24 2HG2 VAL 24 -20.895 -3.050 -15.562 177 HG23 VAL 24 3HG2 VAL 24 -19.941 -1.880 -16.474 178 H GLY 25 H GLY 25 -22.203 1.049 -13.470 179 HA2 GLY 25 2HA GLY 25 -24.596 2.156 -14.412 180 HA3 GLY 25 3HA GLY 25 -23.893 2.463 -12.830 181 H SER 26 H SER 26 -21.450 3.627 -13.883 182 HA SER 26 HA SER 26 -22.325 5.972 -15.362 183 HB2 SER 26 2HB SER 26 -21.042 7.331 -13.457 184 HB3 SER 26 3HB SER 26 -22.771 6.999 -13.358 185 HG SER 26 HG SER 26 -20.689 5.503 -12.138 186 H ASN 27 H ASN 27 -20.886 5.793 -16.976 187 HA ASN 27 HA ASN 27 -18.094 5.190 -16.368 188 HB2 ASN 27 2HB ASN 27 -19.478 4.119 -18.284 189 HB3 ASN 27 3HB ASN 27 -19.195 5.637 -19.130 190 HD21 ASN 27 1HD2 ASN 27 -18.266 3.494 -20.332 191 HD22 ASN 27 2HD2 ASN 27 -16.549 3.362 -20.184 192 H LYS 28 H LYS 28 -19.006 7.684 -15.466 193 HA LYS 28 HA LYS 28 -17.484 9.498 -17.219 194 HB2 LYS 28 2HB LYS 28 -19.750 10.403 -15.454 195 HB3 LYS 28 3HB LYS 28 -18.970 11.284 -16.761 196 HG2 LYS 28 2HG LYS 28 -20.649 8.811 -17.125 197 HG3 LYS 28 3HG LYS 28 -21.227 10.466 -17.333 198 HD2 LYS 28 2HD LYS 28 -19.686 10.830 -19.146 199 HD3 LYS 28 3HD LYS 28 -18.930 9.258 -18.873 200 HE2 LYS 28 2HE LYS 28 -20.541 8.158 -19.985 201 HE3 LYS 28 3HE LYS 28 -21.827 9.146 -19.293 202 HZ1 LYS 28 1HZ LYS 28 -20.758 10.922 -20.904 203 HZ2 LYS 28 2HZ LYS 28 -21.942 9.836 -21.433 204 HZ3 LYS 28 3HZ LYS 28 -20.310 9.531 -21.757 205 H GLY 29 H GLY 29 -17.718 11.691 -15.343 206 HA2 GLY 29 2HA GLY 29 -16.436 12.593 -13.662 207 HA3 GLY 29 3HA GLY 29 -16.931 11.174 -12.751 208 H ALA 30 H ALA 30 -14.985 11.057 -15.669 209 HA ALA 30 HA ALA 30 -12.449 11.018 -14.453 210 HB1 ALA 30 1HB ALA 30 -11.988 8.566 -14.662 211 HB2 ALA 30 2HB ALA 30 -13.099 9.001 -13.362 212 HB3 ALA 30 3HB ALA 30 -13.723 8.320 -14.864 213 H ILE 31 H ILE 31 -14.527 9.932 -17.061 214 HA ILE 31 HA ILE 31 -12.282 10.313 -18.934 215 HB ILE 31 HB ILE 31 -14.528 8.777 -19.989 216 HG12 ILE 31 2HG1 ILE 31 -13.015 7.778 -17.580 217 HG13 ILE 31 3HG1 ILE 31 -14.758 7.831 -17.825 218 HG21 ILE 31 1HG2 ILE 31 -12.771 7.400 -20.876 219 HG22 ILE 31 2HG2 ILE 31 -12.312 9.091 -21.061 220 HG23 ILE 31 3HG2 ILE 31 -11.595 8.119 -19.776 221 HD11 ILE 31 1HD1 ILE 31 -14.266 5.597 -18.095 222 HD12 ILE 31 2HD1 ILE 31 -14.286 6.183 -19.759 223 HD13 ILE 31 3HD1 ILE 31 -12.750 5.924 -18.933 224 H ILE 32 H ILE 32 -13.913 12.434 -18.031 225 HA ILE 32 HA ILE 32 -15.981 12.974 -19.936 226 HB ILE 32 HB ILE 32 -16.151 13.979 -17.756 227 HG12 ILE 32 2HG1 ILE 32 -16.498 16.328 -18.376 228 HG13 ILE 32 3HG1 ILE 32 -15.517 16.101 -19.819 229 HG21 ILE 32 1HG2 ILE 32 -13.420 15.015 -18.382 230 HG22 ILE 32 2HG2 ILE 32 -14.461 15.893 -17.263 231 HG23 ILE 32 3HG2 ILE 32 -14.013 14.222 -16.922 232 HD11 ILE 32 1HD1 ILE 32 -18.179 14.839 -19.220 233 HD12 ILE 32 2HD1 ILE 32 -17.823 16.069 -20.434 234 HD13 ILE 32 3HD1 ILE 32 -17.174 14.439 -20.613 235 H GLY 33 H GLY 33 -12.564 13.423 -19.836 236 HA2 GLY 33 2HA GLY 33 -12.684 15.287 -22.113 237 HA3 GLY 33 3HA GLY 33 -11.286 15.038 -21.078 238 H LEU 34 H LEU 34 -12.184 12.024 -21.403 239 HA LEU 34 HA LEU 34 -10.637 11.631 -23.876 240 HB2 LEU 34 2HB LEU 34 -10.456 10.477 -21.257 241 HB3 LEU 34 3HB LEU 34 -10.785 9.215 -22.443 242 HG LEU 34 HG LEU 34 -8.494 11.168 -22.630 243 HD11 LEU 34 1HD1 LEU 34 -7.596 9.959 -20.979 244 HD12 LEU 34 2HD1 LEU 34 -7.416 8.694 -22.194 245 HD13 LEU 34 3HD1 LEU 34 -8.813 8.690 -21.118 246 HD21 LEU 34 1HD2 LEU 34 -8.855 8.560 -24.080 247 HD22 LEU 34 2HD2 LEU 34 -7.710 9.858 -24.419 248 HD23 LEU 34 3HD2 LEU 34 -9.430 10.093 -24.735 249 H MET 35 H MET 35 -13.628 10.997 -22.272 250 HA MET 35 HA MET 35 -14.484 9.338 -24.552 251 HB2 MET 35 2HB MET 35 -14.448 8.527 -21.963 252 HB3 MET 35 3HB MET 35 -16.069 9.202 -22.064 253 HG2 MET 35 2HG MET 35 -15.816 7.666 -24.359 254 HG3 MET 35 3HG MET 35 -15.032 6.716 -23.099 255 HE1 MET 35 1HE MET 35 -17.890 6.409 -20.434 256 HE2 MET 35 2HE MET 35 -16.303 5.801 -20.908 257 HE3 MET 35 3HE MET 35 -16.514 7.510 -20.522 258 H VAL 36 H VAL 36 -14.531 12.332 -23.965 259 HA VAL 36 HA VAL 36 -17.148 12.797 -25.059 260 HB VAL 36 HB VAL 36 -16.580 13.399 -22.208 261 HG11 VAL 36 1HG1 VAL 36 -18.343 15.251 -22.371 262 HG12 VAL 36 2HG1 VAL 36 -16.698 15.638 -22.880 263 HG13 VAL 36 3HG1 VAL 36 -17.941 15.303 -24.087 264 HG21 VAL 36 1HG2 VAL 36 -19.225 13.277 -22.389 265 HG22 VAL 36 2HG2 VAL 36 -18.831 12.431 -23.886 266 HG23 VAL 36 3HG2 VAL 36 -18.224 11.825 -22.345 267 H GLY 37 H GLY 37 -14.208 14.156 -23.644 268 HA2 GLY 37 2HA GLY 37 -14.388 16.760 -24.610 269 HA3 GLY 37 3HA GLY 37 -12.882 15.907 -24.307 270 H GLY 38 H GLY 38 -14.967 17.189 -26.668 271 HA2 GLY 38 2HA GLY 38 -14.478 17.582 -28.906 272 HA3 GLY 38 3HA GLY 38 -13.059 16.557 -28.747 273 H VAL 39 H VAL 39 -16.044 15.265 -27.639 274 HA VAL 39 HA VAL 39 -16.225 13.621 -30.081 275 HB VAL 39 HB VAL 39 -16.909 12.796 -27.256 276 HG11 VAL 39 1HG1 VAL 39 -18.257 11.349 -28.306 277 HG12 VAL 39 2HG1 VAL 39 -17.519 11.657 -29.879 278 HG13 VAL 39 3HG1 VAL 39 -16.768 10.519 -28.759 279 HG21 VAL 39 1HG2 VAL 39 -14.555 12.863 -27.410 280 HG22 VAL 39 2HG2 VAL 39 -14.999 11.174 -27.652 281 HG23 VAL 39 3HG2 VAL 39 -14.564 12.177 -29.035 282 H VAL 40 H VAL 40 -18.305 14.196 -27.244 283 HA VAL 40 HA VAL 40 -20.555 14.626 -29.090 284 HB VAL 40 HB VAL 40 -20.674 12.766 -27.358 285 HG11 VAL 40 1HG1 VAL 40 -21.407 14.877 -25.382 286 HG12 VAL 40 2HG1 VAL 40 -20.887 13.213 -25.112 287 HG13 VAL 40 3HG1 VAL 40 -19.711 14.439 -25.589 288 HG21 VAL 40 1HG2 VAL 40 -22.968 14.465 -26.726 289 HG22 VAL 40 2HG2 VAL 40 -22.604 14.369 -28.449 290 HG23 VAL 40 3HG2 VAL 40 -22.906 12.895 -27.528 291 H ILE 41 H ILE 41 -18.500 16.615 -28.160 292 HA ILE 41 HA ILE 41 -20.406 18.695 -27.434 293 HB ILE 41 HB ILE 41 -19.101 19.570 -25.614 294 HG12 ILE 41 2HG1 ILE 41 -17.230 17.241 -26.096 295 HG13 ILE 41 3HG1 ILE 41 -16.874 18.935 -26.417 296 HG21 ILE 41 1HG2 ILE 41 -20.771 17.819 -25.124 297 HG22 ILE 41 2HG2 ILE 41 -19.490 16.611 -25.198 298 HG23 ILE 41 3HG2 ILE 41 -19.455 17.856 -23.950 299 HD11 ILE 41 1HD1 ILE 41 -17.031 17.485 -23.829 300 HD12 ILE 41 2HD1 ILE 41 -15.835 18.646 -24.407 301 HD13 ILE 41 3HD1 ILE 41 -17.420 19.204 -23.870 302 H ALA 42 H ALA 42 -18.775 20.806 -27.058 303 HA ALA 42 HA ALA 42 -17.525 22.374 -28.135 304 HB1 ALA 42 1HB ALA 42 -15.427 21.734 -28.551 305 HB2 ALA 42 2HB ALA 42 -15.956 20.122 -28.067 306 HB3 ALA 42 3HB ALA 42 -15.932 20.567 -29.774 Start of MODEL 8 1 H1 ASP 1 H ASP 1 4.313 1.063 -2.629 2 HA ASP 1 HA ASP 1 2.271 1.504 -3.801 3 HB2 ASP 1 2HB ASP 1 2.484 1.153 -6.398 4 HB3 ASP 1 3HB ASP 1 2.926 2.694 -5.669 5 H ALA 2 H ALA 2 4.695 -0.922 -4.404 6 HA ALA 2 HA ALA 2 3.128 -2.943 -5.524 7 HB1 ALA 2 1HB ALA 2 4.930 -4.292 -5.245 8 HB2 ALA 2 2HB ALA 2 5.725 -2.743 -4.962 9 HB3 ALA 2 3HB ALA 2 5.228 -3.741 -3.596 10 H GLU 3 H GLU 3 3.644 -2.038 -2.149 11 HA GLU 3 HA GLU 3 2.442 -4.207 -0.896 12 HB2 GLU 3 2HB GLU 3 2.396 -1.306 -0.047 13 HB3 GLU 3 3HB GLU 3 2.024 -2.674 0.993 14 HG2 GLU 3 2HG GLU 3 4.414 -3.471 0.267 15 HG3 GLU 3 3HG GLU 3 4.644 -1.756 -0.070 16 H PHE 4 H PHE 4 0.979 -1.266 -2.209 17 HA PHE 4 HA PHE 4 -1.648 -1.778 -1.312 18 HB2 PHE 4 2HB PHE 4 -0.329 0.109 -3.121 19 HB3 PHE 4 3HB PHE 4 -1.969 -0.299 -3.616 20 HD1 PHE 4 HD1 PHE 4 -0.206 2.075 -1.969 21 HD2 PHE 4 HD2 PHE 4 -3.568 -0.461 -1.351 22 HE1 PHE 4 HE1 PHE 4 -1.094 3.663 -0.312 23 HE2 PHE 4 HE2 PHE 4 -4.462 1.123 0.307 24 HZ PHE 4 HZ PHE 4 -3.226 3.188 0.827 25 H ARG 5 H ARG 5 -0.097 -2.345 -4.466 26 HA ARG 5 HA ARG 5 -2.357 -3.625 -5.612 27 HB2 ARG 5 2HB ARG 5 0.523 -3.329 -6.353 28 HB3 ARG 5 3HB ARG 5 -0.448 -4.530 -7.194 29 HG2 ARG 5 2HG ARG 5 -0.391 -2.453 -8.434 30 HG3 ARG 5 3HG ARG 5 -2.026 -2.785 -7.861 31 HD2 ARG 5 2HD ARG 5 -0.369 -1.188 -6.035 32 HD3 ARG 5 3HD ARG 5 -0.738 -0.411 -7.574 33 HE ARG 5 HE ARG 5 -2.565 -0.954 -5.425 34 HH11 ARG 5 1HH1 ARG 5 -2.259 -0.411 -8.850 35 HH12 ARG 5 2HH1 ARG 5 -3.889 0.145 -9.040 36 HH21 ARG 5 1HH2 ARG 5 -4.713 -0.223 -5.662 37 HH22 ARG 5 2HH2 ARG 5 -5.283 0.253 -7.225 38 H HIS 6 H HIS 6 -0.138 -4.638 -3.297 39 HA HIS 6 HA HIS 6 -1.002 -7.421 -3.644 40 HB2 HIS 6 2HB HIS 6 1.183 -7.543 -4.515 41 HB3 HIS 6 3HB HIS 6 1.819 -6.428 -3.309 42 HD1 HIS 6 HD1 HIS 6 2.859 -7.448 -1.286 43 HD2 HIS 6 HD2 HIS 6 0.518 -10.159 -3.391 44 HE1 HIS 6 HE1 HIS 6 3.245 -9.672 -0.178 45 H ASP 7 H ASP 7 -2.455 -7.227 -1.952 46 HA ASP 7 HA ASP 7 -1.239 -6.853 0.706 47 HB2 ASP 7 2HB ASP 7 -3.270 -5.316 -0.439 48 HB3 ASP 7 3HB ASP 7 -4.106 -6.402 0.668 49 H SER 8 H SER 8 -1.171 -8.697 1.788 50 HA SER 8 HA SER 8 -2.687 -10.987 1.022 51 HB2 SER 8 2HB SER 8 -1.534 -11.183 3.678 52 HB3 SER 8 3HB SER 8 -1.136 -12.087 2.217 53 HG SER 8 HG SER 8 0.141 -9.962 3.353 54 H GLY 9 H GLY 9 -3.471 -8.295 2.835 55 HA2 GLY 9 2HA GLY 9 -5.622 -9.783 4.211 56 HA3 GLY 9 3HA GLY 9 -4.794 -8.426 4.960 57 H TYR 10 H TYR 10 -4.698 -6.920 2.429 58 HA TYR 10 HA TYR 10 -7.385 -5.814 2.595 59 HB2 TYR 10 2HB TYR 10 -5.007 -4.575 2.513 60 HB3 TYR 10 3HB TYR 10 -5.354 -4.614 0.788 61 HD1 TYR 10 HD1 TYR 10 -7.123 -3.278 -0.154 62 HD2 TYR 10 HD2 TYR 10 -6.441 -3.305 4.045 63 HE1 TYR 10 HE1 TYR 10 -8.571 -1.304 0.088 64 HE2 TYR 10 HE2 TYR 10 -7.888 -1.333 4.299 65 HH TYR 10 HH TYR 10 -9.988 -0.369 2.667 66 H GLU 11 H GLU 11 -5.483 -7.764 0.502 67 HA GLU 11 HA GLU 11 -7.501 -7.480 -1.626 68 HB2 GLU 11 2HB GLU 11 -4.933 -6.951 -1.991 69 HB3 GLU 11 3HB GLU 11 -4.830 -8.697 -2.165 70 HG2 GLU 11 2HG GLU 11 -5.541 -8.562 -4.249 71 HG3 GLU 11 3HG GLU 11 -7.018 -7.758 -3.721 72 H VAL 12 H VAL 12 -8.250 -9.076 0.384 73 HA VAL 12 HA VAL 12 -7.818 -11.797 -0.667 74 HB VAL 12 HB VAL 12 -8.751 -11.654 2.104 75 HG11 VAL 12 1HG1 VAL 12 -6.257 -13.042 1.336 76 HG12 VAL 12 2HG1 VAL 12 -7.627 -13.612 2.290 77 HG13 VAL 12 3HG1 VAL 12 -7.734 -13.569 0.530 78 HG21 VAL 12 1HG2 VAL 12 -5.999 -10.633 1.411 79 HG22 VAL 12 2HG2 VAL 12 -7.291 -9.730 2.202 80 HG23 VAL 12 3HG2 VAL 12 -6.530 -11.087 3.031 81 H HIS 13 H HIS 13 -9.792 -12.959 1.055 82 HA HIS 13 HA HIS 13 -12.043 -12.910 -0.510 83 HB2 HIS 13 2HB HIS 13 -12.405 -14.603 0.917 84 HB3 HIS 13 3HB HIS 13 -11.356 -13.890 2.139 85 HD1 HIS 13 HD1 HIS 13 -14.930 -14.170 1.117 86 HD2 HIS 13 HD2 HIS 13 -12.670 -12.344 4.087 87 HE1 HIS 13 HE1 HIS 13 -16.586 -13.405 2.848 88 H HIS 14 H HIS 14 -11.038 -10.595 1.850 89 HA HIS 14 HA HIS 14 -13.316 -9.370 2.694 90 HB2 HIS 14 2HB HIS 14 -10.679 -8.730 2.788 91 HB3 HIS 14 3HB HIS 14 -11.273 -7.485 1.694 92 HD1 HIS 14 HD1 HIS 14 -13.769 -6.495 2.831 93 HD2 HIS 14 HD2 HIS 14 -10.647 -7.721 5.282 94 HE1 HIS 14 HE1 HIS 14 -14.165 -5.362 5.041 95 H GLN 15 H GLN 15 -11.855 -9.143 -0.501 96 HA GLN 15 HA GLN 15 -14.363 -8.245 -1.610 97 HB2 GLN 15 2HB GLN 15 -12.839 -6.377 -2.825 98 HB3 GLN 15 3HB GLN 15 -13.809 -6.061 -1.392 99 HG2 GLN 15 2HG GLN 15 -11.598 -5.142 -1.122 100 HG3 GLN 15 3HG GLN 15 -11.847 -6.465 0.016 101 HE21 GLN 15 1HE2 GLN 15 -10.405 -8.054 0.064 102 HE22 GLN 15 2HE2 GLN 15 -9.149 -8.303 -1.095 103 H LYS 16 H LYS 16 -14.630 -9.449 -3.356 104 HA LYS 16 HA LYS 16 -12.329 -9.934 -5.116 105 HB2 LYS 16 2HB LYS 16 -12.847 -11.917 -3.616 106 HB3 LYS 16 3HB LYS 16 -14.376 -12.057 -4.475 107 HG2 LYS 16 2HG LYS 16 -13.388 -12.793 -6.401 108 HG3 LYS 16 3HG LYS 16 -11.858 -11.982 -6.057 109 HD2 LYS 16 2HD LYS 16 -11.156 -13.654 -4.603 110 HD3 LYS 16 3HD LYS 16 -12.797 -14.243 -4.331 111 HE2 LYS 16 2HE LYS 16 -11.505 -14.412 -7.033 112 HE3 LYS 16 3HE LYS 16 -11.218 -15.643 -5.805 113 HZ1 LYS 16 1HZ LYS 16 -13.002 -16.480 -6.977 114 HZ2 LYS 16 2HZ LYS 16 -13.726 -14.966 -7.195 115 HZ3 LYS 16 3HZ LYS 16 -13.773 -15.716 -5.679 116 H LEU 17 H LEU 17 -15.233 -8.555 -4.849 117 HA LEU 17 HA LEU 17 -15.926 -9.086 -7.663 118 HB2 LEU 17 2HB LEU 17 -17.827 -8.402 -5.426 119 HB3 LEU 17 3HB LEU 17 -18.261 -8.687 -7.111 120 HG LEU 17 HG LEU 17 -17.089 -10.761 -5.259 121 HD11 LEU 17 1HD1 LEU 17 -19.908 -10.066 -5.988 122 HD12 LEU 17 2HD1 LEU 17 -19.216 -10.401 -4.401 123 HD13 LEU 17 3HD1 LEU 17 -19.463 -11.715 -5.550 124 HD21 LEU 17 1HD2 LEU 17 -17.926 -10.742 -8.122 125 HD22 LEU 17 2HD2 LEU 17 -18.141 -12.211 -7.168 126 HD23 LEU 17 3HD2 LEU 17 -16.533 -11.509 -7.360 127 H VAL 18 H VAL 18 -14.860 -6.837 -5.445 128 HA VAL 18 HA VAL 18 -16.113 -4.523 -6.665 129 HB VAL 18 HB VAL 18 -15.529 -4.706 -4.192 130 HG11 VAL 18 1HG1 VAL 18 -13.141 -5.513 -4.865 131 HG12 VAL 18 2HG1 VAL 18 -12.795 -3.785 -4.962 132 HG13 VAL 18 3HG1 VAL 18 -13.359 -4.488 -3.446 133 HG21 VAL 18 1HG2 VAL 18 -14.228 -2.237 -5.098 134 HG22 VAL 18 2HG2 VAL 18 -15.796 -2.558 -5.838 135 HG23 VAL 18 3HG2 VAL 18 -15.652 -2.464 -4.083 136 H PHE 19 H PHE 19 -13.844 -6.507 -7.749 137 HA PHE 19 HA PHE 19 -11.897 -4.517 -8.599 138 HB2 PHE 19 2HB PHE 19 -11.685 -7.195 -7.996 139 HB3 PHE 19 3HB PHE 19 -11.668 -7.199 -9.757 140 HD1 PHE 19 HD1 PHE 19 -10.173 -5.144 -7.018 141 HD2 PHE 19 HD2 PHE 19 -9.587 -7.198 -10.700 142 HE1 PHE 19 HE1 PHE 19 -7.796 -4.509 -6.990 143 HE2 PHE 19 HE2 PHE 19 -7.209 -6.567 -10.677 144 HZ PHE 19 HZ PHE 19 -6.311 -5.221 -8.821 145 H PHE 20 H PHE 20 -14.818 -4.818 -9.545 146 HA PHE 20 HA PHE 20 -14.226 -4.257 -12.331 147 HB2 PHE 20 2HB PHE 20 -14.771 -6.788 -11.954 148 HB3 PHE 20 3HB PHE 20 -16.430 -6.219 -11.801 149 HD1 PHE 20 HD1 PHE 20 -17.683 -6.444 -13.698 150 HD2 PHE 20 HD2 PHE 20 -13.537 -5.554 -14.070 151 HE1 PHE 20 HE1 PHE 20 -17.906 -6.441 -16.148 152 HE2 PHE 20 HE2 PHE 20 -13.754 -5.549 -16.520 153 HZ PHE 20 HZ PHE 20 -15.941 -5.992 -17.563 154 H ALA 21 H ALA 21 -15.381 -3.043 -9.766 155 HA ALA 21 HA ALA 21 -17.855 -1.995 -10.982 156 HB1 ALA 21 1HB ALA 21 -17.373 -3.089 -8.351 157 HB2 ALA 21 2HB ALA 21 -18.008 -1.446 -8.262 158 HB3 ALA 21 3HB ALA 21 -18.897 -2.688 -9.144 159 H GLU 22 H GLU 22 -14.852 -1.279 -9.359 160 HA GLU 22 HA GLU 22 -15.417 1.553 -9.156 161 HB2 GLU 22 2HB GLU 22 -13.868 -0.023 -7.661 162 HB3 GLU 22 3HB GLU 22 -12.655 0.493 -8.824 163 HG2 GLU 22 2HG GLU 22 -12.691 1.889 -6.810 164 HG3 GLU 22 3HG GLU 22 -13.042 2.804 -8.275 165 H ASP 23 H ASP 23 -15.822 1.163 -11.681 166 HA ASP 23 HA ASP 23 -13.959 2.768 -13.020 167 HB2 ASP 23 2HB ASP 23 -12.448 0.915 -13.041 168 HB3 ASP 23 3HB ASP 23 -13.719 -0.194 -13.551 169 H VAL 24 H VAL 24 -16.433 0.282 -13.272 170 HA VAL 24 HA VAL 24 -17.333 0.664 -15.852 171 HB VAL 24 HB VAL 24 -19.049 0.140 -13.421 172 HG11 VAL 24 1HG1 VAL 24 -19.546 -0.211 -16.368 173 HG12 VAL 24 2HG1 VAL 24 -20.508 -1.014 -15.125 174 HG13 VAL 24 3HG1 VAL 24 -20.473 0.747 -15.214 175 HG21 VAL 24 1HG2 VAL 24 -18.790 -2.264 -14.500 176 HG22 VAL 24 2HG2 VAL 24 -17.268 -1.577 -15.068 177 HG23 VAL 24 3HG2 VAL 24 -17.618 -1.638 -13.340 178 H GLY 25 H GLY 25 -17.773 2.694 -13.045 179 HA2 GLY 25 2HA GLY 25 -19.947 4.239 -13.793 180 HA3 GLY 25 3HA GLY 25 -18.594 4.829 -12.840 181 H SER 26 H SER 26 -16.663 4.339 -14.999 182 HA SER 26 HA SER 26 -17.430 6.575 -16.759 183 HB2 SER 26 2HB SER 26 -15.043 7.141 -16.896 184 HB3 SER 26 3HB SER 26 -15.595 7.151 -15.221 185 HG SER 26 HG SER 26 -14.109 5.127 -16.539 186 H ASN 27 H ASN 27 -18.333 5.169 -18.317 187 HA ASN 27 HA ASN 27 -17.187 2.917 -19.428 188 HB2 ASN 27 2HB ASN 27 -19.498 3.975 -19.866 189 HB3 ASN 27 3HB ASN 27 -18.680 4.922 -21.106 190 HD21 ASN 27 1HD2 ASN 27 -18.707 1.542 -20.012 191 HD22 ASN 27 2HD2 ASN 27 -18.876 0.857 -21.589 192 H LYS 28 H LYS 28 -17.136 6.103 -21.029 193 HA LYS 28 HA LYS 28 -15.551 7.151 -22.283 194 HB2 LYS 28 2HB LYS 28 -14.099 5.822 -20.262 195 HB3 LYS 28 3HB LYS 28 -13.240 5.514 -21.765 196 HG2 LYS 28 2HG LYS 28 -14.006 8.230 -20.713 197 HG3 LYS 28 3HG LYS 28 -12.401 7.501 -20.621 198 HD2 LYS 28 2HD LYS 28 -12.267 7.449 -23.051 199 HD3 LYS 28 3HD LYS 28 -13.896 8.117 -23.170 200 HE2 LYS 28 2HE LYS 28 -12.220 9.748 -21.477 201 HE3 LYS 28 3HE LYS 28 -11.493 9.531 -23.068 202 HZ1 LYS 28 1HZ LYS 28 -14.328 10.150 -23.053 203 HZ2 LYS 28 2HZ LYS 28 -13.098 10.727 -24.061 204 HZ3 LYS 28 3HZ LYS 28 -13.310 11.393 -22.520 205 H GLY 29 H GLY 29 -15.227 6.994 -24.414 206 HA2 GLY 29 2HA GLY 29 -14.370 5.949 -26.369 207 HA3 GLY 29 3HA GLY 29 -14.504 4.393 -25.562 208 H ALA 30 H ALA 30 -17.294 5.447 -24.684 209 HA ALA 30 HA ALA 30 -18.672 4.978 -27.242 210 HB1 ALA 30 1HB ALA 30 -19.723 3.147 -26.520 211 HB2 ALA 30 2HB ALA 30 -18.516 3.103 -25.233 212 HB3 ALA 30 3HB ALA 30 -20.080 3.868 -24.950 213 H ILE 31 H ILE 31 -18.121 7.224 -25.093 214 HA ILE 31 HA ILE 31 -20.818 8.351 -25.314 215 HB ILE 31 HB ILE 31 -19.378 8.948 -22.795 216 HG12 ILE 31 2HG1 ILE 31 -20.601 6.273 -23.434 217 HG13 ILE 31 3HG1 ILE 31 -19.043 6.617 -22.690 218 HG21 ILE 31 1HG2 ILE 31 -22.277 8.333 -23.329 219 HG22 ILE 31 2HG2 ILE 31 -21.591 9.122 -21.910 220 HG23 ILE 31 3HG2 ILE 31 -21.567 9.940 -23.472 221 HD11 ILE 31 1HD1 ILE 31 -20.274 7.487 -20.706 222 HD12 ILE 31 2HD1 ILE 31 -21.764 6.905 -21.450 223 HD13 ILE 31 3HD1 ILE 31 -20.492 5.764 -21.013 224 H ILE 32 H ILE 32 -18.690 8.961 -26.963 225 HA ILE 32 HA ILE 32 -17.302 11.292 -26.017 226 HB ILE 32 HB ILE 32 -16.210 9.906 -27.661 227 HG12 ILE 32 2HG1 ILE 32 -16.234 12.582 -27.724 228 HG13 ILE 32 3HG1 ILE 32 -15.290 11.621 -28.857 229 HG21 ILE 32 1HG2 ILE 32 -17.990 8.900 -28.832 230 HG22 ILE 32 2HG2 ILE 32 -18.650 10.459 -29.325 231 HG23 ILE 32 3HG2 ILE 32 -17.137 9.882 -30.023 232 HD11 ILE 32 1HD1 ILE 32 -16.748 12.016 -30.602 233 HD12 ILE 32 2HD1 ILE 32 -18.084 12.429 -29.527 234 HD13 ILE 32 3HD1 ILE 32 -16.743 13.555 -29.741 235 H GLY 33 H GLY 33 -20.340 10.660 -27.484 236 HA2 GLY 33 2HA GLY 33 -20.632 13.470 -28.302 237 HA3 GLY 33 3HA GLY 33 -21.676 12.147 -28.801 238 H LEU 34 H LEU 34 -21.326 11.474 -25.699 239 HA LEU 34 HA LEU 34 -23.565 13.204 -24.876 240 HB2 LEU 34 2HB LEU 34 -23.163 10.313 -24.743 241 HB3 LEU 34 3HB LEU 34 -23.677 11.025 -23.215 242 HG LEU 34 HG LEU 34 -25.163 11.461 -25.796 243 HD11 LEU 34 1HD1 LEU 34 -25.369 9.167 -25.587 244 HD12 LEU 34 2HD1 LEU 34 -26.764 9.757 -24.685 245 HD13 LEU 34 3HD1 LEU 34 -25.322 9.219 -23.825 246 HD21 LEU 34 1HD2 LEU 34 -25.336 12.783 -23.430 247 HD22 LEU 34 2HD2 LEU 34 -26.533 11.508 -23.202 248 HD23 LEU 34 3HD2 LEU 34 -26.663 12.603 -24.578 249 H MET 35 H MET 35 -20.442 11.942 -24.096 250 HA MET 35 HA MET 35 -20.499 13.433 -21.555 251 HB2 MET 35 2HB MET 35 -20.110 10.749 -21.774 252 HB3 MET 35 3HB MET 35 -18.452 11.332 -21.849 253 HG2 MET 35 2HG MET 35 -19.525 12.752 -19.751 254 HG3 MET 35 3HG MET 35 -20.275 11.165 -19.597 255 HE1 MET 35 1HE MET 35 -18.758 8.886 -18.800 256 HE2 MET 35 2HE MET 35 -18.565 9.154 -20.532 257 HE3 MET 35 3HE MET 35 -17.152 8.826 -19.527 258 H VAL 36 H VAL 36 -19.727 14.184 -24.373 259 HA VAL 36 HA VAL 36 -17.340 15.624 -23.669 260 HB VAL 36 HB VAL 36 -17.204 13.276 -25.482 261 HG11 VAL 36 1HG1 VAL 36 -15.199 14.376 -26.606 262 HG12 VAL 36 2HG1 VAL 36 -16.801 14.891 -27.140 263 HG13 VAL 36 3HG1 VAL 36 -15.867 15.907 -26.041 264 HG21 VAL 36 1HG2 VAL 36 -14.702 13.754 -24.591 265 HG22 VAL 36 2HG2 VAL 36 -15.646 14.517 -23.311 266 HG23 VAL 36 3HG2 VAL 36 -15.899 12.815 -23.699 267 H GLY 37 H GLY 37 -19.640 14.666 -26.172 268 HA2 GLY 37 2HA GLY 37 -19.166 16.626 -28.071 269 HA3 GLY 37 3HA GLY 37 -20.739 15.908 -27.759 270 H GLY 38 H GLY 38 -21.643 16.805 -25.502 271 HA2 GLY 38 2HA GLY 38 -21.825 19.687 -25.932 272 HA3 GLY 38 3HA GLY 38 -22.899 18.714 -24.939 273 H VAL 39 H VAL 39 -19.526 18.220 -24.515 274 HA VAL 39 HA VAL 39 -19.602 19.836 -22.049 275 HB VAL 39 HB VAL 39 -18.174 17.208 -22.477 276 HG11 VAL 39 1HG1 VAL 39 -18.252 19.096 -20.134 277 HG12 VAL 39 2HG1 VAL 39 -17.736 17.413 -20.005 278 HG13 VAL 39 3HG1 VAL 39 -16.841 18.535 -21.030 279 HG21 VAL 39 1HG2 VAL 39 -19.880 16.940 -20.333 280 HG22 VAL 39 2HG2 VAL 39 -20.820 17.899 -21.475 281 HG23 VAL 39 3HG2 VAL 39 -20.168 16.336 -21.965 282 H VAL 40 H VAL 40 -17.102 18.111 -23.916 283 HA VAL 40 HA VAL 40 -15.323 20.400 -23.593 284 HB VAL 40 HB VAL 40 -14.752 17.690 -24.800 285 HG11 VAL 40 1HG1 VAL 40 -12.934 18.729 -25.582 286 HG12 VAL 40 2HG1 VAL 40 -13.213 20.157 -24.584 287 HG13 VAL 40 3HG1 VAL 40 -12.383 18.755 -23.908 288 HG21 VAL 40 1HG2 VAL 40 -14.128 18.749 -22.044 289 HG22 VAL 40 2HG2 VAL 40 -15.353 17.540 -22.430 290 HG23 VAL 40 3HG2 VAL 40 -13.647 17.178 -22.686 291 H ILE 41 H ILE 41 -14.848 21.796 -25.168 292 HA ILE 41 HA ILE 41 -15.702 21.134 -27.911 293 HB ILE 41 HB ILE 41 -15.628 23.909 -26.732 294 HG12 ILE 41 2HG1 ILE 41 -17.336 22.617 -25.574 295 HG13 ILE 41 3HG1 ILE 41 -18.100 23.758 -26.676 296 HG21 ILE 41 1HG2 ILE 41 -15.423 24.068 -29.060 297 HG22 ILE 41 2HG2 ILE 41 -16.569 22.758 -29.338 298 HG23 ILE 41 3HG2 ILE 41 -17.141 24.318 -28.748 299 HD11 ILE 41 1HD1 ILE 41 -18.255 20.874 -26.591 300 HD12 ILE 41 2HD1 ILE 41 -19.287 22.041 -27.418 301 HD13 ILE 41 3HD1 ILE 41 -17.808 21.468 -28.190 302 H ALA 42 H ALA 42 -13.741 20.466 -28.699 303 HA ALA 42 HA ALA 42 -11.259 21.668 -28.192 304 HB1 ALA 42 1HB ALA 42 -10.797 20.573 -30.578 305 HB2 ALA 42 2HB ALA 42 -10.940 19.616 -29.103 306 HB3 ALA 42 3HB ALA 42 -12.316 19.763 -30.195 Start of MODEL 9 1 H1 ASP 1 H ASP 1 2.942 0.502 -7.196 2 HA ASP 1 HA ASP 1 1.627 1.840 -5.483 3 HB2 ASP 1 2HB ASP 1 -0.079 1.982 -7.947 4 HB3 ASP 1 3HB ASP 1 -0.827 2.046 -6.354 5 H ALA 2 H ALA 2 2.485 -0.710 -5.638 6 HA ALA 2 HA ALA 2 0.141 -2.456 -5.579 7 HB1 ALA 2 1HB ALA 2 1.513 -4.128 -6.141 8 HB2 ALA 2 2HB ALA 2 2.687 -2.862 -6.504 9 HB3 ALA 2 3HB ALA 2 2.716 -3.670 -4.936 10 H GLU 3 H GLU 3 0.777 -0.384 -3.507 11 HA GLU 3 HA GLU 3 1.455 -1.926 -1.152 12 HB2 GLU 3 2HB GLU 3 1.592 0.780 -1.855 13 HB3 GLU 3 3HB GLU 3 0.360 0.697 -0.603 14 HG2 GLU 3 2HG GLU 3 3.070 -0.553 -0.290 15 HG3 GLU 3 3HG GLU 3 2.729 1.116 0.161 16 H PHE 4 H PHE 4 -1.352 0.059 -2.115 17 HA PHE 4 HA PHE 4 -3.057 -0.736 -0.066 18 HB2 PHE 4 2HB PHE 4 -3.266 1.040 -2.070 19 HB3 PHE 4 3HB PHE 4 -4.271 -0.246 -2.731 20 HD1 PHE 4 HD1 PHE 4 -3.946 2.286 -0.133 21 HD2 PHE 4 HD2 PHE 4 -6.342 -0.896 -1.635 22 HE1 PHE 4 HE1 PHE 4 -5.828 3.052 1.255 23 HE2 PHE 4 HE2 PHE 4 -8.227 -0.134 -0.250 24 HZ PHE 4 HZ PHE 4 -7.972 1.842 1.197 25 H ARG 5 H ARG 5 -2.128 -2.377 -2.977 26 HA ARG 5 HA ARG 5 -4.227 -4.383 -2.651 27 HB2 ARG 5 2HB ARG 5 -2.341 -3.633 -4.828 28 HB3 ARG 5 3HB ARG 5 -2.871 -5.307 -4.752 29 HG2 ARG 5 2HG ARG 5 -4.270 -4.015 -6.256 30 HG3 ARG 5 3HG ARG 5 -5.198 -4.582 -4.866 31 HD2 ARG 5 2HD ARG 5 -3.941 -1.930 -4.584 32 HD3 ARG 5 3HD ARG 5 -5.239 -2.042 -5.772 33 HE ARG 5 HE ARG 5 -5.491 -2.168 -2.914 34 HH11 ARG 5 1HH1 ARG 5 -6.930 -3.068 -5.953 35 HH12 ARG 5 2HH1 ARG 5 -8.532 -3.194 -5.306 36 HH21 ARG 5 1HH2 ARG 5 -7.595 -2.330 -2.050 37 HH22 ARG 5 2HH2 ARG 5 -8.910 -2.774 -3.086 38 H HIS 6 H HIS 6 -1.877 -4.003 -0.811 39 HA HIS 6 HA HIS 6 -0.655 -6.667 -1.100 40 HB2 HIS 6 2HB HIS 6 0.580 -4.214 -0.762 41 HB3 HIS 6 3HB HIS 6 0.586 -4.893 0.862 42 HD1 HIS 6 HD1 HIS 6 3.015 -4.514 -1.320 43 HD2 HIS 6 HD2 HIS 6 1.217 -8.028 -0.023 44 HE1 HIS 6 HE1 HIS 6 4.707 -6.328 -1.736 45 H ASP 7 H ASP 7 -3.270 -6.238 0.009 46 HA ASP 7 HA ASP 7 -2.905 -6.603 2.884 47 HB2 ASP 7 2HB ASP 7 -4.999 -5.565 1.216 48 HB3 ASP 7 3HB ASP 7 -5.631 -6.894 2.184 49 H SER 8 H SER 8 -2.493 -8.588 3.580 50 HA SER 8 HA SER 8 -2.982 -10.924 2.042 51 HB2 SER 8 2HB SER 8 -1.700 -11.979 3.591 52 HB3 SER 8 3HB SER 8 -1.331 -10.339 4.125 53 HG SER 8 HG SER 8 -2.951 -10.531 5.684 54 H GLY 9 H GLY 9 -5.007 -9.036 3.941 55 HA2 GLY 9 2HA GLY 9 -6.935 -11.263 4.144 56 HA3 GLY 9 3HA GLY 9 -6.736 -10.103 5.449 57 H TYR 10 H TYR 10 -6.425 -7.815 3.696 58 HA TYR 10 HA TYR 10 -9.251 -7.417 3.085 59 HB2 TYR 10 2HB TYR 10 -7.240 -5.790 4.201 60 HB3 TYR 10 3HB TYR 10 -7.626 -5.081 2.637 61 HD1 TYR 10 HD1 TYR 10 -9.982 -4.399 2.149 62 HD2 TYR 10 HD2 TYR 10 -8.740 -5.620 6.031 63 HE1 TYR 10 HE1 TYR 10 -11.989 -3.354 3.113 64 HE2 TYR 10 HE2 TYR 10 -10.744 -4.579 7.005 65 HH TYR 10 HH TYR 10 -12.568 -3.376 6.618 66 H GLU 11 H GLU 11 -7.042 -8.820 1.406 67 HA GLU 11 HA GLU 11 -7.974 -7.736 -1.127 68 HB2 GLU 11 2HB GLU 11 -5.671 -6.716 -0.292 69 HB3 GLU 11 3HB GLU 11 -5.038 -8.225 -0.935 70 HG2 GLU 11 2HG GLU 11 -6.876 -6.904 -2.759 71 HG3 GLU 11 3HG GLU 11 -5.476 -5.914 -2.350 72 H VAL 12 H VAL 12 -8.406 -10.191 0.361 73 HA VAL 12 HA VAL 12 -7.064 -12.169 -1.351 74 HB VAL 12 HB VAL 12 -8.737 -13.186 0.837 75 HG11 VAL 12 1HG1 VAL 12 -5.825 -13.728 0.471 76 HG12 VAL 12 2HG1 VAL 12 -7.120 -14.819 0.970 77 HG13 VAL 12 3HG1 VAL 12 -6.976 -14.333 -0.720 78 HG21 VAL 12 1HG2 VAL 12 -7.943 -11.213 1.971 79 HG22 VAL 12 2HG2 VAL 12 -7.075 -12.619 2.587 80 HG23 VAL 12 3HG2 VAL 12 -6.290 -11.529 1.444 81 H HIS 13 H HIS 13 -8.990 -14.230 -0.860 82 HA HIS 13 HA HIS 13 -10.615 -14.072 -3.054 83 HB2 HIS 13 2HB HIS 13 -10.858 -16.187 -2.344 84 HB3 HIS 13 3HB HIS 13 -10.465 -15.748 -0.684 85 HD1 HIS 13 HD1 HIS 13 -13.328 -16.403 -2.962 86 HD2 HIS 13 HD2 HIS 13 -12.695 -15.173 0.956 87 HE1 HIS 13 HE1 HIS 13 -15.566 -16.588 -1.829 88 H HIS 14 H HIS 14 -11.087 -12.598 0.046 89 HA HIS 14 HA HIS 14 -13.758 -12.179 0.270 90 HB2 HIS 14 2HB HIS 14 -11.554 -11.106 1.467 91 HB3 HIS 14 3HB HIS 14 -12.198 -9.702 0.620 92 HD1 HIS 14 HD1 HIS 14 -15.188 -10.096 1.003 93 HD2 HIS 14 HD2 HIS 14 -12.394 -10.713 4.015 94 HE1 HIS 14 HE1 HIS 14 -16.459 -9.851 3.159 95 H GLN 15 H GLN 15 -11.569 -10.568 -1.974 96 HA GLN 15 HA GLN 15 -13.917 -9.556 -3.421 97 HB2 GLN 15 2HB GLN 15 -12.212 -7.592 -3.996 98 HB3 GLN 15 3HB GLN 15 -13.279 -7.526 -2.600 99 HG2 GLN 15 2HG GLN 15 -10.640 -8.786 -2.191 100 HG3 GLN 15 3HG GLN 15 -10.660 -7.045 -2.466 101 HE21 GLN 15 1HE2 GLN 15 -9.784 -8.097 -0.092 102 HE22 GLN 15 2HE2 GLN 15 -10.902 -7.702 1.164 103 H LYS 16 H LYS 16 -13.940 -10.368 -5.399 104 HA LYS 16 HA LYS 16 -11.399 -10.694 -6.835 105 HB2 LYS 16 2HB LYS 16 -12.215 -12.883 -5.882 106 HB3 LYS 16 3HB LYS 16 -13.626 -12.732 -6.921 107 HG2 LYS 16 2HG LYS 16 -12.420 -13.104 -8.844 108 HG3 LYS 16 3HG LYS 16 -10.898 -12.581 -8.117 109 HD2 LYS 16 2HD LYS 16 -10.405 -14.660 -7.480 110 HD3 LYS 16 3HD LYS 16 -11.990 -14.873 -6.734 111 HE2 LYS 16 2HE LYS 16 -12.953 -15.566 -8.799 112 HE3 LYS 16 3HE LYS 16 -11.509 -15.100 -9.698 113 HZ1 LYS 16 1HZ LYS 16 -10.945 -17.233 -9.488 114 HZ2 LYS 16 2HZ LYS 16 -12.065 -17.524 -8.255 115 HZ3 LYS 16 3HZ LYS 16 -10.553 -16.862 -7.885 116 H LEU 17 H LEU 17 -14.228 -9.156 -6.756 117 HA LEU 17 HA LEU 17 -14.462 -9.088 -9.692 118 HB2 LEU 17 2HB LEU 17 -16.745 -8.474 -7.849 119 HB3 LEU 17 3HB LEU 17 -16.787 -8.858 -9.569 120 HG LEU 17 HG LEU 17 -15.730 -11.135 -8.362 121 HD11 LEU 17 1HD1 LEU 17 -17.724 -9.785 -6.615 122 HD12 LEU 17 2HD1 LEU 17 -16.325 -10.767 -6.184 123 HD13 LEU 17 3HD1 LEU 17 -17.792 -11.539 -6.786 124 HD21 LEU 17 1HD2 LEU 17 -18.645 -10.918 -8.922 125 HD22 LEU 17 2HD2 LEU 17 -17.499 -12.182 -9.369 126 HD23 LEU 17 3HD2 LEU 17 -17.505 -10.649 -10.241 127 H VAL 18 H VAL 18 -13.635 -7.399 -6.955 128 HA VAL 18 HA VAL 18 -14.586 -4.801 -7.817 129 HB VAL 18 HB VAL 18 -14.335 -5.504 -5.385 130 HG11 VAL 18 1HG1 VAL 18 -11.442 -4.794 -5.804 131 HG12 VAL 18 2HG1 VAL 18 -12.211 -5.436 -4.351 132 HG13 VAL 18 3HG1 VAL 18 -12.023 -6.459 -5.776 133 HG21 VAL 18 1HG2 VAL 18 -14.587 -3.143 -6.303 134 HG22 VAL 18 2HG2 VAL 18 -13.919 -3.298 -4.678 135 HG23 VAL 18 3HG2 VAL 18 -12.851 -2.975 -6.043 136 H PHE 19 H PHE 19 -12.301 -6.706 -9.014 137 HA PHE 19 HA PHE 19 -10.167 -4.737 -9.221 138 HB2 PHE 19 2HB PHE 19 -9.764 -7.230 -8.887 139 HB3 PHE 19 3HB PHE 19 -10.275 -7.440 -10.558 140 HD1 PHE 19 HD1 PHE 19 -8.072 -4.980 -8.817 141 HD2 PHE 19 HD2 PHE 19 -8.483 -7.867 -11.917 142 HE1 PHE 19 HE1 PHE 19 -5.782 -4.490 -9.572 143 HE2 PHE 19 HE2 PHE 19 -6.194 -7.382 -12.677 144 HZ PHE 19 HZ PHE 19 -4.840 -5.692 -11.504 145 H PHE 20 H PHE 20 -12.942 -4.602 -10.527 146 HA PHE 20 HA PHE 20 -11.981 -3.570 -13.058 147 HB2 PHE 20 2HB PHE 20 -12.656 -6.084 -13.278 148 HB3 PHE 20 3HB PHE 20 -14.302 -5.465 -13.199 149 HD1 PHE 20 HD1 PHE 20 -15.354 -4.771 -15.132 150 HD2 PHE 20 HD2 PHE 20 -11.104 -4.985 -15.041 151 HE1 PHE 20 HE1 PHE 20 -15.280 -4.262 -17.538 152 HE2 PHE 20 HE2 PHE 20 -11.023 -4.476 -17.446 153 HZ PHE 20 HZ PHE 20 -13.113 -4.113 -18.698 154 H ALA 21 H ALA 21 -13.384 -2.777 -10.471 155 HA ALA 21 HA ALA 21 -15.670 -1.398 -11.724 156 HB1 ALA 21 1HB ALA 21 -16.725 -2.713 -10.166 157 HB2 ALA 21 2HB ALA 21 -15.374 -2.648 -9.034 158 HB3 ALA 21 3HB ALA 21 -16.434 -1.251 -9.224 159 H GLU 22 H GLU 22 -12.819 -1.132 -9.744 160 HA GLU 22 HA GLU 22 -13.300 1.625 -9.033 161 HB2 GLU 22 2HB GLU 22 -11.888 -0.268 -7.804 162 HB3 GLU 22 3HB GLU 22 -10.595 0.401 -8.790 163 HG2 GLU 22 2HG GLU 22 -10.688 1.388 -6.547 164 HG3 GLU 22 3HG GLU 22 -10.917 2.580 -7.825 165 H ASP 23 H ASP 23 -13.580 1.780 -11.593 166 HA ASP 23 HA ASP 23 -11.542 3.507 -12.484 167 HB2 ASP 23 2HB ASP 23 -10.201 1.569 -12.897 168 HB3 ASP 23 3HB ASP 23 -11.543 0.729 -13.669 169 H VAL 24 H VAL 24 -14.146 1.318 -13.434 170 HA VAL 24 HA VAL 24 -14.907 2.486 -15.832 171 HB VAL 24 HB VAL 24 -16.772 1.308 -13.768 172 HG11 VAL 24 1HG1 VAL 24 -17.613 0.687 -16.360 173 HG12 VAL 24 2HG1 VAL 24 -18.367 1.816 -15.232 174 HG13 VAL 24 3HG1 VAL 24 -17.181 2.396 -16.402 175 HG21 VAL 24 1HG2 VAL 24 -15.173 -0.357 -14.116 176 HG22 VAL 24 2HG2 VAL 24 -16.456 -0.764 -15.256 177 HG23 VAL 24 3HG2 VAL 24 -14.993 0.041 -15.824 178 H GLY 25 H GLY 25 -15.449 3.554 -12.552 179 HA2 GLY 25 2HA GLY 25 -17.566 5.335 -12.943 180 HA3 GLY 25 3HA GLY 25 -16.330 5.496 -11.705 181 H SER 26 H SER 26 -14.294 5.552 -13.989 182 HA SER 26 HA SER 26 -14.683 8.396 -14.653 183 HB2 SER 26 2HB SER 26 -12.249 6.816 -13.910 184 HB3 SER 26 3HB SER 26 -12.073 8.226 -14.955 185 HG SER 26 HG SER 26 -13.243 8.168 -12.369 186 H ASN 27 H ASN 27 -15.902 7.680 -16.533 187 HA ASN 27 HA ASN 27 -14.355 6.371 -18.634 188 HB2 ASN 27 2HB ASN 27 -16.942 6.056 -17.936 189 HB3 ASN 27 3HB ASN 27 -17.119 7.292 -19.178 190 HD21 ASN 27 1HD2 ASN 27 -17.916 4.458 -19.121 191 HD22 ASN 27 2HD2 ASN 27 -17.189 3.747 -20.517 192 H LYS 28 H LYS 28 -13.439 8.912 -17.919 193 HA LYS 28 HA LYS 28 -14.112 10.456 -20.337 194 HB2 LYS 28 2HB LYS 28 -13.207 11.717 -17.756 195 HB3 LYS 28 3HB LYS 28 -13.934 12.499 -19.153 196 HG2 LYS 28 2HG LYS 28 -15.355 10.557 -17.344 197 HG3 LYS 28 3HG LYS 28 -15.462 12.315 -17.226 198 HD2 LYS 28 2HD LYS 28 -16.453 12.452 -19.415 199 HD3 LYS 28 3HD LYS 28 -16.202 10.726 -19.682 200 HE2 LYS 28 2HE LYS 28 -17.996 11.966 -17.597 201 HE3 LYS 28 3HE LYS 28 -18.522 11.196 -19.093 202 HZ1 LYS 28 1HZ LYS 28 -18.774 9.597 -17.413 203 HZ2 LYS 28 2HZ LYS 28 -17.258 9.923 -16.738 204 HZ3 LYS 28 3HZ LYS 28 -17.367 9.144 -18.236 205 H GLY 29 H GLY 29 -12.095 12.453 -19.757 206 HA2 GLY 29 2HA GLY 29 -9.917 12.854 -20.375 207 HA3 GLY 29 3HA GLY 29 -9.543 11.518 -19.296 208 H ALA 30 H ALA 30 -11.469 11.206 -22.212 209 HA ALA 30 HA ALA 30 -9.409 10.439 -23.968 210 HB1 ALA 30 1HB ALA 30 -10.854 7.970 -23.224 211 HB2 ALA 30 2HB ALA 30 -9.190 8.196 -23.765 212 HB3 ALA 30 3HB ALA 30 -9.628 8.542 -22.092 213 H ILE 31 H ILE 31 -12.762 10.138 -22.987 214 HA ILE 31 HA ILE 31 -13.537 10.153 -25.832 215 HB ILE 31 HB ILE 31 -15.630 9.272 -24.005 216 HG12 ILE 31 2HG1 ILE 31 -13.042 7.730 -24.163 217 HG13 ILE 31 3HG1 ILE 31 -13.911 8.239 -22.720 218 HG21 ILE 31 1HG2 ILE 31 -15.722 9.132 -26.458 219 HG22 ILE 31 2HG2 ILE 31 -14.383 7.986 -26.429 220 HG23 ILE 31 3HG2 ILE 31 -15.927 7.557 -25.692 221 HD11 ILE 31 1HD1 ILE 31 -14.687 6.089 -24.668 222 HD12 ILE 31 2HD1 ILE 31 -14.243 5.910 -22.970 223 HD13 ILE 31 3HD1 ILE 31 -15.759 6.699 -23.407 224 H ILE 32 H ILE 32 -12.972 12.488 -24.313 225 HA ILE 32 HA ILE 32 -15.408 13.653 -23.367 226 HB ILE 32 HB ILE 32 -13.337 14.459 -22.451 227 HG12 ILE 32 2HG1 ILE 32 -13.602 16.873 -22.791 228 HG13 ILE 32 3HG1 ILE 32 -14.545 16.576 -24.247 229 HG21 ILE 32 1HG2 ILE 32 -11.797 15.814 -23.959 230 HG22 ILE 32 2HG2 ILE 32 -11.753 14.061 -24.137 231 HG23 ILE 32 3HG2 ILE 32 -12.628 15.044 -25.310 232 HD11 ILE 32 1HD1 ILE 32 -16.020 17.128 -22.445 233 HD12 ILE 32 2HD1 ILE 32 -16.235 15.426 -22.854 234 HD13 ILE 32 3HD1 ILE 32 -15.310 15.879 -21.423 235 H GLY 33 H GLY 33 -13.876 13.342 -26.444 236 HA2 GLY 33 2HA GLY 33 -15.654 15.388 -27.596 237 HA3 GLY 33 3HA GLY 33 -14.206 14.753 -28.364 238 H LEU 34 H LEU 34 -15.378 12.044 -27.230 239 HA LEU 34 HA LEU 34 -17.047 11.554 -29.604 240 HB2 LEU 34 2HB LEU 34 -15.259 10.138 -29.857 241 HB3 LEU 34 3HB LEU 34 -15.061 9.906 -28.121 242 HG LEU 34 HG LEU 34 -17.066 8.453 -28.127 243 HD11 LEU 34 1HD1 LEU 34 -18.364 8.108 -29.921 244 HD12 LEU 34 2HD1 LEU 34 -16.997 8.082 -31.034 245 HD13 LEU 34 3HD1 LEU 34 -17.670 9.622 -30.501 246 HD21 LEU 34 1HD2 LEU 34 -14.486 7.906 -29.256 247 HD22 LEU 34 2HD2 LEU 34 -15.708 6.892 -30.021 248 HD23 LEU 34 3HD2 LEU 34 -15.516 6.871 -28.267 249 H MET 35 H MET 35 -16.925 11.440 -26.155 250 HA MET 35 HA MET 35 -19.610 10.226 -26.113 251 HB2 MET 35 2HB MET 35 -17.413 9.197 -24.898 252 HB3 MET 35 3HB MET 35 -18.043 10.216 -23.610 253 HG2 MET 35 2HG MET 35 -19.986 8.997 -23.410 254 HG3 MET 35 3HG MET 35 -19.871 8.349 -25.044 255 HE1 MET 35 1HE MET 35 -16.997 7.034 -21.698 256 HE2 MET 35 2HE MET 35 -17.200 8.674 -22.315 257 HE3 MET 35 3HE MET 35 -18.442 7.958 -21.286 258 H VAL 36 H VAL 36 -18.549 13.094 -26.279 259 HA VAL 36 HA VAL 36 -20.522 14.221 -24.518 260 HB VAL 36 HB VAL 36 -17.630 14.414 -23.868 261 HG11 VAL 36 1HG1 VAL 36 -19.536 16.729 -23.769 262 HG12 VAL 36 2HG1 VAL 36 -18.172 16.604 -22.656 263 HG13 VAL 36 3HG1 VAL 36 -17.888 16.678 -24.395 264 HG21 VAL 36 1HG2 VAL 36 -18.597 13.315 -22.159 265 HG22 VAL 36 2HG2 VAL 36 -19.026 14.933 -21.605 266 HG23 VAL 36 3HG2 VAL 36 -20.197 13.971 -22.506 267 H GLY 37 H GLY 37 -17.802 14.767 -26.708 268 HA2 GLY 37 2HA GLY 37 -18.233 17.423 -27.378 269 HA3 GLY 37 3HA GLY 37 -17.553 16.222 -28.466 270 H GLY 38 H GLY 38 -19.425 14.611 -29.232 271 HA2 GLY 38 2HA GLY 38 -21.339 16.360 -30.576 272 HA3 GLY 38 3HA GLY 38 -20.971 14.696 -31.006 273 H VAL 39 H VAL 39 -21.555 15.367 -27.684 274 HA VAL 39 HA VAL 39 -24.264 14.230 -27.939 275 HB VAL 39 HB VAL 39 -22.292 13.795 -25.691 276 HG11 VAL 39 1HG1 VAL 39 -24.493 13.844 -24.774 277 HG12 VAL 39 2HG1 VAL 39 -25.124 12.843 -26.084 278 HG13 VAL 39 3HG1 VAL 39 -24.011 12.152 -24.902 279 HG21 VAL 39 1HG2 VAL 39 -23.389 11.767 -27.627 280 HG22 VAL 39 2HG2 VAL 39 -21.845 12.589 -27.854 281 HG23 VAL 39 3HG2 VAL 39 -22.094 11.551 -26.450 282 H VAL 40 H VAL 40 -22.304 15.864 -25.443 283 HA VAL 40 HA VAL 40 -24.538 17.746 -25.052 284 HB VAL 40 HB VAL 40 -24.561 16.203 -23.189 285 HG11 VAL 40 1HG1 VAL 40 -21.778 16.186 -23.528 286 HG12 VAL 40 2HG1 VAL 40 -22.070 16.861 -21.924 287 HG13 VAL 40 3HG1 VAL 40 -22.724 15.279 -22.348 288 HG21 VAL 40 1HG2 VAL 40 -23.343 18.836 -22.363 289 HG22 VAL 40 2HG2 VAL 40 -25.044 18.570 -22.744 290 HG23 VAL 40 3HG2 VAL 40 -24.318 17.774 -21.348 291 H ILE 41 H ILE 41 -23.972 19.797 -25.315 292 HA ILE 41 HA ILE 41 -21.284 20.670 -24.572 293 HB ILE 41 HB ILE 41 -21.021 21.945 -26.664 294 HG12 ILE 41 2HG1 ILE 41 -23.616 21.764 -27.074 295 HG13 ILE 41 3HG1 ILE 41 -22.503 21.862 -28.435 296 HG21 ILE 41 1HG2 ILE 41 -19.852 19.887 -26.549 297 HG22 ILE 41 2HG2 ILE 41 -21.313 18.959 -26.884 298 HG23 ILE 41 3HG2 ILE 41 -20.590 19.953 -28.149 299 HD11 ILE 41 1HD1 ILE 41 -23.229 19.172 -27.424 300 HD12 ILE 41 2HD1 ILE 41 -24.434 20.077 -28.341 301 HD13 ILE 41 3HD1 ILE 41 -22.868 19.710 -29.064 302 H ALA 42 H ALA 42 -23.579 21.152 -23.145 303 HA ALA 42 HA ALA 42 -23.921 24.044 -23.556 304 HB1 ALA 42 1HB ALA 42 -26.232 23.976 -23.207 305 HB2 ALA 42 2HB ALA 42 -25.918 22.632 -24.306 306 HB3 ALA 42 3HB ALA 42 -26.182 22.324 -22.590 Start of MODEL 10 1 H1 ASP 1 H ASP 1 0.770 -2.612 -12.014 2 HA ASP 1 HA ASP 1 1.978 -1.736 -10.195 3 HB2 ASP 1 2HB ASP 1 -0.752 -1.318 -8.961 4 HB3 ASP 1 3HB ASP 1 0.777 -0.926 -8.179 5 H ALA 2 H ALA 2 3.024 -3.498 -9.542 6 HA ALA 2 HA ALA 2 1.599 -5.819 -8.563 7 HB1 ALA 2 1HB ALA 2 4.523 -5.799 -8.325 8 HB2 ALA 2 2HB ALA 2 3.450 -6.984 -9.071 9 HB3 ALA 2 3HB ALA 2 3.912 -5.531 -9.958 10 H GLU 3 H GLU 3 3.760 -3.335 -7.279 11 HA GLU 3 HA GLU 3 4.094 -4.424 -4.709 12 HB2 GLU 3 2HB GLU 3 5.343 -2.470 -5.846 13 HB3 GLU 3 3HB GLU 3 4.027 -1.467 -5.251 14 HG2 GLU 3 2HG GLU 3 5.118 -3.172 -3.180 15 HG3 GLU 3 3HG GLU 3 6.341 -2.128 -3.900 16 H PHE 4 H PHE 4 1.823 -1.939 -5.874 17 HA PHE 4 HA PHE 4 0.475 -1.490 -3.487 18 HB2 PHE 4 2HB PHE 4 0.252 -0.194 -5.653 19 HB3 PHE 4 3HB PHE 4 -0.828 -1.468 -6.211 20 HD1 PHE 4 HD1 PHE 4 -0.529 0.161 -2.879 21 HD2 PHE 4 HD2 PHE 4 -2.937 -0.538 -6.317 22 HE1 PHE 4 HE1 PHE 4 -2.419 1.290 -1.780 23 HE2 PHE 4 HE2 PHE 4 -4.831 0.590 -5.224 24 HZ PHE 4 HZ PHE 4 -4.573 1.506 -2.953 25 H ARG 5 H ARG 5 0.152 -4.084 -5.807 26 HA ARG 5 HA ARG 5 -2.182 -5.153 -4.411 27 HB2 ARG 5 2HB ARG 5 -0.885 -5.652 -7.047 28 HB3 ARG 5 3HB ARG 5 -1.787 -6.970 -6.312 29 HG2 ARG 5 2HG ARG 5 -3.178 -5.715 -7.853 30 HG3 ARG 5 3HG ARG 5 -3.773 -5.555 -6.199 31 HD2 ARG 5 2HD ARG 5 -1.841 -3.506 -7.056 32 HD3 ARG 5 3HD ARG 5 -3.392 -3.479 -7.894 33 HE ARG 5 HE ARG 5 -2.890 -2.790 -5.144 34 HH11 ARG 5 1HH1 ARG 5 -5.273 -3.815 -7.466 35 HH12 ARG 5 2HH1 ARG 5 -6.614 -3.198 -6.558 36 HH21 ARG 5 1HH2 ARG 5 -4.646 -1.974 -3.939 37 HH22 ARG 5 2HH2 ARG 5 -6.256 -2.150 -4.552 38 H HIS 6 H HIS 6 0.622 -5.089 -3.323 39 HA HIS 6 HA HIS 6 1.075 -7.977 -3.006 40 HB2 HIS 6 2HB HIS 6 2.887 -6.090 -3.691 41 HB3 HIS 6 3HB HIS 6 3.067 -6.065 -1.939 42 HD1 HIS 6 HD1 HIS 6 5.157 -7.177 -4.120 43 HD2 HIS 6 HD2 HIS 6 2.688 -9.416 -1.639 44 HE1 HIS 6 HE1 HIS 6 6.262 -9.427 -3.925 45 H ASP 7 H ASP 7 -1.009 -6.460 -1.627 46 HA ASP 7 HA ASP 7 -0.051 -6.385 1.134 47 HB2 ASP 7 2HB ASP 7 -1.922 -4.860 -0.298 48 HB3 ASP 7 3HB ASP 7 -2.871 -5.824 0.831 49 H SER 8 H SER 8 -0.154 -8.183 2.289 50 HA SER 8 HA SER 8 -1.722 -10.434 1.497 51 HB2 SER 8 2HB SER 8 -0.426 -11.592 2.945 52 HB3 SER 8 3HB SER 8 0.530 -10.113 3.021 53 HG SER 8 HG SER 8 -0.812 -9.499 4.822 54 H GLY 9 H GLY 9 -2.508 -7.629 3.112 55 HA2 GLY 9 2HA GLY 9 -4.825 -8.947 4.388 56 HA3 GLY 9 3HA GLY 9 -3.978 -7.610 5.152 57 H TYR 10 H TYR 10 -3.614 -6.227 2.563 58 HA TYR 10 HA TYR 10 -6.255 -4.990 2.480 59 HB2 TYR 10 2HB TYR 10 -3.845 -3.836 2.621 60 HB3 TYR 10 3HB TYR 10 -3.998 -3.913 0.869 61 HD1 TYR 10 HD1 TYR 10 -4.999 -2.134 -0.210 62 HD2 TYR 10 HD2 TYR 10 -5.989 -2.880 3.860 63 HE1 TYR 10 HE1 TYR 10 -6.386 -0.103 -0.182 64 HE2 TYR 10 HE2 TYR 10 -7.379 -0.851 3.900 65 HH TYR 10 HH TYR 10 -8.577 0.592 2.316 66 H GLU 11 H GLU 11 -4.306 -7.120 0.658 67 HA GLU 11 HA GLU 11 -6.064 -6.771 -1.682 68 HB2 GLU 11 2HB GLU 11 -3.450 -6.383 -1.801 69 HB3 GLU 11 3HB GLU 11 -3.419 -8.136 -1.919 70 HG2 GLU 11 2HG GLU 11 -5.361 -6.905 -3.703 71 HG3 GLU 11 3HG GLU 11 -3.704 -6.384 -4.005 72 H VAL 12 H VAL 12 -6.965 -8.298 0.406 73 HA VAL 12 HA VAL 12 -6.598 -11.061 -0.555 74 HB VAL 12 HB VAL 12 -7.856 -10.752 2.074 75 HG11 VAL 12 1HG1 VAL 12 -5.446 -12.312 2.001 76 HG12 VAL 12 2HG1 VAL 12 -7.113 -12.840 2.240 77 HG13 VAL 12 3HG1 VAL 12 -6.459 -12.691 0.609 78 HG21 VAL 12 1HG2 VAL 12 -5.004 -9.869 1.654 79 HG22 VAL 12 2HG2 VAL 12 -6.331 -8.915 2.317 80 HG23 VAL 12 3HG2 VAL 12 -5.694 -10.288 3.222 81 H HIS 13 H HIS 13 -8.817 -12.077 0.942 82 HA HIS 13 HA HIS 13 -10.851 -12.032 -0.882 83 HB2 HIS 13 2HB HIS 13 -11.463 -13.607 0.596 84 HB3 HIS 13 3HB HIS 13 -10.561 -12.839 1.899 85 HD1 HIS 13 HD1 HIS 13 -13.971 -13.149 0.458 86 HD2 HIS 13 HD2 HIS 13 -12.062 -11.045 3.490 87 HE1 HIS 13 HE1 HIS 13 -15.814 -12.189 1.875 88 H HIS 14 H HIS 14 -10.081 -9.624 1.493 89 HA HIS 14 HA HIS 14 -12.393 -8.253 1.904 90 HB2 HIS 14 2HB HIS 14 -9.763 -7.726 2.369 91 HB3 HIS 14 3HB HIS 14 -10.136 -6.507 1.154 92 HD1 HIS 14 HD1 HIS 14 -12.716 -5.364 1.873 93 HD2 HIS 14 HD2 HIS 14 -10.056 -6.625 4.805 94 HE1 HIS 14 HE1 HIS 14 -13.380 -4.126 3.960 95 H GLN 15 H GLN 15 -10.436 -8.256 -1.025 96 HA GLN 15 HA GLN 15 -12.655 -6.928 -2.420 97 HB2 GLN 15 2HB GLN 15 -10.898 -5.792 -3.851 98 HB3 GLN 15 3HB GLN 15 -11.065 -5.187 -2.209 99 HG2 GLN 15 2HG GLN 15 -8.761 -5.304 -2.609 100 HG3 GLN 15 3HG GLN 15 -9.135 -6.697 -1.595 101 HE21 GLN 15 1HE2 GLN 15 -7.878 -8.314 -2.170 102 HE22 GLN 15 2HE2 GLN 15 -7.539 -8.815 -3.788 103 H LYS 16 H LYS 16 -13.012 -7.580 -4.540 104 HA LYS 16 HA LYS 16 -11.352 -9.140 -6.125 105 HB2 LYS 16 2HB LYS 16 -11.409 -10.926 -4.585 106 HB3 LYS 16 3HB LYS 16 -13.127 -10.714 -4.274 107 HG2 LYS 16 2HG LYS 16 -13.753 -11.841 -6.157 108 HG3 LYS 16 3HG LYS 16 -12.277 -11.424 -7.031 109 HD2 LYS 16 2HD LYS 16 -11.606 -13.006 -4.744 110 HD3 LYS 16 3HD LYS 16 -12.875 -13.820 -5.663 111 HE2 LYS 16 2HE LYS 16 -11.004 -14.614 -6.726 112 HE3 LYS 16 3HE LYS 16 -11.358 -13.194 -7.709 113 HZ1 LYS 16 1HZ LYS 16 -9.642 -12.706 -5.432 114 HZ2 LYS 16 2HZ LYS 16 -9.506 -12.160 -7.027 115 HZ3 LYS 16 3HZ LYS 16 -8.972 -13.712 -6.616 116 H LEU 17 H LEU 17 -14.569 -8.265 -5.132 117 HA LEU 17 HA LEU 17 -15.571 -8.750 -7.851 118 HB2 LEU 17 2HB LEU 17 -16.707 -9.047 -5.236 119 HB3 LEU 17 3HB LEU 17 -17.669 -7.906 -6.174 120 HG LEU 17 HG LEU 17 -18.497 -10.235 -6.291 121 HD11 LEU 17 1HD1 LEU 17 -19.137 -8.833 -8.072 122 HD12 LEU 17 2HD1 LEU 17 -18.567 -10.324 -8.820 123 HD13 LEU 17 3HD1 LEU 17 -17.533 -8.896 -8.803 124 HD21 LEU 17 1HD2 LEU 17 -16.337 -11.376 -6.161 125 HD22 LEU 17 2HD2 LEU 17 -15.911 -10.754 -7.756 126 HD23 LEU 17 3HD2 LEU 17 -17.253 -11.886 -7.580 127 H VAL 18 H VAL 18 -14.822 -6.287 -5.542 128 HA VAL 18 HA VAL 18 -16.345 -4.186 -6.710 129 HB VAL 18 HB VAL 18 -15.460 -4.148 -4.374 130 HG11 VAL 18 1HG1 VAL 18 -13.107 -4.895 -5.375 131 HG12 VAL 18 2HG1 VAL 18 -12.845 -3.150 -5.345 132 HG13 VAL 18 3HG1 VAL 18 -13.253 -4.007 -3.858 133 HG21 VAL 18 1HG2 VAL 18 -14.285 -1.692 -5.336 134 HG22 VAL 18 2HG2 VAL 18 -15.782 -2.060 -6.192 135 HG23 VAL 18 3HG2 VAL 18 -15.778 -1.944 -4.432 136 H PHE 19 H PHE 19 -13.624 -5.834 -7.767 137 HA PHE 19 HA PHE 19 -12.362 -3.608 -9.114 138 HB2 PHE 19 2HB PHE 19 -11.355 -5.920 -8.204 139 HB3 PHE 19 3HB PHE 19 -11.697 -6.407 -9.861 140 HD1 PHE 19 HD1 PHE 19 -9.874 -3.926 -7.809 141 HD2 PHE 19 HD2 PHE 19 -10.292 -5.769 -11.623 142 HE1 PHE 19 HE1 PHE 19 -7.781 -2.865 -8.546 143 HE2 PHE 19 HE2 PHE 19 -8.198 -4.712 -12.366 144 HZ PHE 19 HZ PHE 19 -6.939 -3.258 -10.828 145 H PHE 20 H PHE 20 -14.927 -3.604 -9.909 146 HA PHE 20 HA PHE 20 -14.778 -3.684 -12.693 147 HB2 PHE 20 2HB PHE 20 -14.796 -6.070 -12.614 148 HB3 PHE 20 3HB PHE 20 -16.104 -6.086 -11.437 149 HD1 PHE 20 HD1 PHE 20 -17.905 -7.135 -12.414 150 HD2 PHE 20 HD2 PHE 20 -15.717 -4.256 -14.658 151 HE1 PHE 20 HE1 PHE 20 -19.545 -7.316 -14.240 152 HE2 PHE 20 HE2 PHE 20 -17.353 -4.432 -16.487 153 HZ PHE 20 HZ PHE 20 -19.271 -5.963 -16.279 154 H ALA 21 H ALA 21 -16.791 -3.866 -9.831 155 HA ALA 21 HA ALA 21 -19.182 -2.904 -11.006 156 HB1 ALA 21 1HB ALA 21 -18.294 -2.713 -8.130 157 HB2 ALA 21 2HB ALA 21 -19.943 -2.534 -8.732 158 HB3 ALA 21 3HB ALA 21 -19.122 -4.091 -8.856 159 H GLU 22 H GLU 22 -16.271 -1.360 -9.994 160 HA GLU 22 HA GLU 22 -17.501 1.277 -9.880 161 HB2 GLU 22 2HB GLU 22 -15.472 0.261 -8.457 162 HB3 GLU 22 3HB GLU 22 -14.549 0.953 -9.783 163 HG2 GLU 22 2HG GLU 22 -14.755 2.475 -7.871 164 HG3 GLU 22 3HG GLU 22 -15.460 3.136 -9.345 165 H ASP 23 H ASP 23 -18.006 0.476 -12.308 166 HA ASP 23 HA ASP 23 -16.688 2.320 -13.981 167 HB2 ASP 23 2HB ASP 23 -14.909 0.549 -13.822 168 HB3 ASP 23 3HB ASP 23 -16.026 -0.561 -14.610 169 H VAL 24 H VAL 24 -19.348 1.450 -13.239 170 HA VAL 24 HA VAL 24 -20.378 0.590 -15.864 171 HB VAL 24 HB VAL 24 -21.684 0.305 -13.154 172 HG11 VAL 24 1HG1 VAL 24 -23.597 0.184 -14.283 173 HG12 VAL 24 2HG1 VAL 24 -22.757 0.242 -15.834 174 HG13 VAL 24 3HG1 VAL 24 -22.992 -1.302 -15.014 175 HG21 VAL 24 1HG2 VAL 24 -20.406 -1.711 -14.995 176 HG22 VAL 24 2HG2 VAL 24 -19.889 -1.269 -13.367 177 HG23 VAL 24 3HG2 VAL 24 -21.408 -2.134 -13.606 178 H GLY 25 H GLY 25 -20.647 2.926 -13.265 179 HA2 GLY 25 2HA GLY 25 -22.845 4.307 -14.600 180 HA3 GLY 25 3HA GLY 25 -22.158 4.714 -13.034 181 H SER 26 H SER 26 -19.922 4.163 -15.573 182 HA SER 26 HA SER 26 -18.720 6.665 -15.370 183 HB2 SER 26 2HB SER 26 -17.317 5.107 -16.337 184 HB3 SER 26 3HB SER 26 -18.590 4.437 -17.356 185 HG SER 26 HG SER 26 -17.145 6.844 -17.713 186 H ASN 27 H ASN 27 -21.467 5.645 -17.205 187 HA ASN 27 HA ASN 27 -22.913 6.739 -18.579 188 HB2 ASN 27 2HB ASN 27 -21.669 9.148 -17.237 189 HB3 ASN 27 3HB ASN 27 -23.096 9.215 -18.268 190 HD21 ASN 27 1HD2 ASN 27 -22.417 9.582 -15.276 191 HD22 ASN 27 2HD2 ASN 27 -23.698 8.736 -14.484 192 H LYS 28 H LYS 28 -21.341 5.838 -20.232 193 HA LYS 28 HA LYS 28 -20.378 8.060 -21.899 194 HB2 LYS 28 2HB LYS 28 -18.411 6.829 -22.531 195 HB3 LYS 28 3HB LYS 28 -18.471 6.909 -20.775 196 HG2 LYS 28 2HG LYS 28 -19.665 4.538 -22.102 197 HG3 LYS 28 3HG LYS 28 -17.905 4.672 -22.052 198 HD2 LYS 28 2HD LYS 28 -17.833 4.565 -19.740 199 HD3 LYS 28 3HD LYS 28 -19.504 5.105 -19.562 200 HE2 LYS 28 2HE LYS 28 -19.680 2.862 -19.059 201 HE3 LYS 28 3HE LYS 28 -20.067 2.873 -20.779 202 HZ1 LYS 28 1HZ LYS 28 -18.081 1.911 -21.327 203 HZ2 LYS 28 2HZ LYS 28 -18.352 1.186 -19.823 204 HZ3 LYS 28 3HZ LYS 28 -17.277 2.485 -19.953 205 H GLY 29 H GLY 29 -19.466 6.383 -24.009 206 HA2 GLY 29 2HA GLY 29 -20.310 5.515 -25.964 207 HA3 GLY 29 3HA GLY 29 -21.181 4.418 -24.903 208 H ALA 30 H ALA 30 -21.651 7.897 -24.967 209 HA ALA 30 HA ALA 30 -23.829 7.962 -26.750 210 HB1 ALA 30 1HB ALA 30 -25.352 6.918 -25.468 211 HB2 ALA 30 2HB ALA 30 -24.439 7.183 -23.982 212 HB3 ALA 30 3HB ALA 30 -25.444 8.473 -24.641 213 H ILE 31 H ILE 31 -22.231 9.310 -23.935 214 HA ILE 31 HA ILE 31 -22.937 12.008 -24.890 215 HB ILE 31 HB ILE 31 -21.977 11.886 -22.140 216 HG12 ILE 31 2HG1 ILE 31 -24.449 10.356 -22.936 217 HG13 ILE 31 3HG1 ILE 31 -23.107 9.812 -21.935 218 HG21 ILE 31 1HG2 ILE 31 -23.751 13.432 -21.761 219 HG22 ILE 31 2HG2 ILE 31 -23.026 13.828 -23.318 220 HG23 ILE 31 3HG2 ILE 31 -24.559 12.959 -23.255 221 HD11 ILE 31 1HD1 ILE 31 -25.448 11.480 -21.232 222 HD12 ILE 31 2HD1 ILE 31 -24.643 10.204 -20.318 223 HD13 ILE 31 3HD1 ILE 31 -23.924 11.812 -20.409 224 H ILE 32 H ILE 32 -20.754 10.544 -25.921 225 HA ILE 32 HA ILE 32 -18.333 11.347 -24.610 226 HB ILE 32 HB ILE 32 -18.294 9.337 -25.935 227 HG12 ILE 32 2HG1 ILE 32 -16.361 9.798 -27.378 228 HG13 ILE 32 3HG1 ILE 32 -16.716 11.521 -27.316 229 HG21 ILE 32 1HG2 ILE 32 -19.164 11.122 -28.196 230 HG22 ILE 32 2HG2 ILE 32 -18.511 9.502 -28.437 231 HG23 ILE 32 3HG2 ILE 32 -20.007 9.723 -27.529 232 HD11 ILE 32 1HD1 ILE 32 -14.922 11.057 -25.819 233 HD12 ILE 32 2HD1 ILE 32 -16.353 11.436 -24.860 234 HD13 ILE 32 3HD1 ILE 32 -15.833 9.761 -25.045 235 H GLY 33 H GLY 33 -20.491 12.779 -26.879 236 HA2 GLY 33 2HA GLY 33 -18.481 14.806 -27.605 237 HA3 GLY 33 3HA GLY 33 -19.971 14.494 -28.484 238 H LEU 34 H LEU 34 -21.093 14.322 -25.527 239 HA LEU 34 HA LEU 34 -21.592 17.218 -25.345 240 HB2 LEU 34 2HB LEU 34 -23.467 15.638 -23.851 241 HB3 LEU 34 3HB LEU 34 -23.758 16.787 -25.156 242 HG LEU 34 HG LEU 34 -22.991 13.914 -25.635 243 HD11 LEU 34 1HD1 LEU 34 -25.741 14.558 -26.212 244 HD12 LEU 34 2HD1 LEU 34 -25.377 14.797 -24.503 245 HD13 LEU 34 3HD1 LEU 34 -25.070 13.234 -25.259 246 HD21 LEU 34 1HD2 LEU 34 -22.801 15.900 -27.364 247 HD22 LEU 34 2HD2 LEU 34 -24.533 15.612 -27.527 248 HD23 LEU 34 3HD2 LEU 34 -23.387 14.309 -27.848 249 H MET 35 H MET 35 -20.461 14.412 -23.681 250 HA MET 35 HA MET 35 -20.144 16.010 -21.225 251 HB2 MET 35 2HB MET 35 -21.552 13.696 -21.416 252 HB3 MET 35 3HB MET 35 -19.961 13.072 -20.999 253 HG2 MET 35 2HG MET 35 -20.275 15.139 -19.229 254 HG3 MET 35 3HG MET 35 -21.907 14.490 -19.365 255 HE1 MET 35 1HE MET 35 -22.591 11.987 -18.175 256 HE2 MET 35 2HE MET 35 -21.946 11.776 -19.803 257 HE3 MET 35 3HE MET 35 -21.378 10.745 -18.489 258 H VAL 36 H VAL 36 -18.406 15.586 -23.679 259 HA VAL 36 HA VAL 36 -15.925 15.356 -22.250 260 HB VAL 36 HB VAL 36 -16.896 13.117 -23.941 261 HG11 VAL 36 1HG1 VAL 36 -14.443 12.517 -24.358 262 HG12 VAL 36 2HG1 VAL 36 -15.170 13.749 -25.391 263 HG13 VAL 36 3HG1 VAL 36 -14.108 14.223 -24.065 264 HG21 VAL 36 1HG2 VAL 36 -14.902 12.224 -22.276 265 HG22 VAL 36 2HG2 VAL 36 -15.613 13.551 -21.357 266 HG23 VAL 36 3HG2 VAL 36 -16.627 12.218 -21.910 267 H GLY 37 H GLY 37 -17.586 15.527 -25.364 268 HA2 GLY 37 2HA GLY 37 -15.500 16.378 -26.985 269 HA3 GLY 37 3HA GLY 37 -17.184 16.822 -27.217 270 H GLY 38 H GLY 38 -14.087 17.930 -26.438 271 HA2 GLY 38 2HA GLY 38 -13.361 20.123 -26.252 272 HA3 GLY 38 3HA GLY 38 -15.039 20.645 -26.259 273 H VAL 39 H VAL 39 -14.028 18.208 -24.015 274 HA VAL 39 HA VAL 39 -13.988 20.210 -21.854 275 HB VAL 39 HB VAL 39 -15.322 17.501 -21.744 276 HG11 VAL 39 1HG1 VAL 39 -14.412 17.940 -19.603 277 HG12 VAL 39 2HG1 VAL 39 -14.906 19.633 -19.662 278 HG13 VAL 39 3HG1 VAL 39 -16.121 18.363 -19.510 279 HG21 VAL 39 1HG2 VAL 39 -16.428 20.298 -21.870 280 HG22 VAL 39 2HG2 VAL 39 -16.709 18.969 -22.995 281 HG23 VAL 39 3HG2 VAL 39 -17.381 18.902 -21.367 282 H VAL 40 H VAL 40 -13.305 16.774 -22.532 283 HA VAL 40 HA VAL 40 -10.804 17.073 -21.000 284 HB VAL 40 HB VAL 40 -12.326 15.734 -19.679 285 HG11 VAL 40 1HG1 VAL 40 -13.764 15.013 -21.572 286 HG12 VAL 40 2HG1 VAL 40 -12.515 13.853 -22.028 287 HG13 VAL 40 3HG1 VAL 40 -13.335 13.703 -20.473 288 HG21 VAL 40 1HG2 VAL 40 -10.788 13.457 -20.518 289 HG22 VAL 40 2HG2 VAL 40 -9.791 14.911 -20.551 290 HG23 VAL 40 3HG2 VAL 40 -10.621 14.445 -19.066 291 H ILE 41 H ILE 41 -12.483 15.451 -23.641 292 HA ILE 41 HA ILE 41 -11.720 14.657 -25.640 293 HB ILE 41 HB ILE 41 -8.955 15.581 -24.882 294 HG12 ILE 41 2HG1 ILE 41 -10.103 17.513 -26.541 295 HG13 ILE 41 3HG1 ILE 41 -11.351 17.155 -25.353 296 HG21 ILE 41 1HG2 ILE 41 -9.182 14.124 -26.856 297 HG22 ILE 41 2HG2 ILE 41 -10.301 15.287 -27.564 298 HG23 ILE 41 3HG2 ILE 41 -8.622 15.743 -27.274 299 HD11 ILE 41 1HD1 ILE 41 -8.622 17.582 -24.316 300 HD12 ILE 41 2HD1 ILE 41 -9.460 18.988 -24.974 301 HD13 ILE 41 3HD1 ILE 41 -10.183 18.068 -23.654 302 H ALA 42 H ALA 42 -8.866 14.216 -23.552 303 HA ALA 42 HA ALA 42 -8.989 11.338 -24.133 304 HB1 ALA 42 1HB ALA 42 -6.602 12.550 -22.847 305 HB2 ALA 42 2HB ALA 42 -6.714 11.243 -24.027 306 HB3 ALA 42 3HB ALA 42 -6.907 12.918 -24.545
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