NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
9383 | 1ntx | 132 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name Start of MODEL 1 Raw file had 605 H/Q atoms Start of MODEL 1 1 NH1 ARG 1 NH2 ARG 1 0.670 5.507 6.447 2 NH2 ARG 1 NH1 ARG 1 2.550 4.344 7.111 3 H ARG 1 HN ARG 1 -3.263 4.939 12.546 4 HA ARG 1 HA ARG 1 -2.676 6.482 10.745 5 1HB ARG 1 2HB ARG 1 -1.645 4.193 10.891 6 2HB ARG 1 3HB ARG 1 -2.911 3.576 9.833 7 1HG ARG 1 2HG ARG 1 -1.169 3.830 8.418 8 2HG ARG 1 3HG ARG 1 -2.085 5.304 8.093 9 1HD ARG 1 2HD ARG 1 -0.314 6.614 8.716 10 2HD ARG 1 3HD ARG 1 -0.128 5.778 10.230 11 HE ARG 1 HE ARG 1 1.583 4.524 9.366 12 1HH1 ARG 1 2HH2 ARG 1 -0.264 5.800 6.683 13 2HH1 ARG 1 1HH2 ARG 1 1.120 5.930 5.638 14 1HH2 ARG 1 2HH1 ARG 1 3.042 3.941 7.908 15 2HH2 ARG 1 1HH1 ARG 1 2.907 4.163 6.172 16 QB ARG 1 QB ARG 1 -2.278 3.884 10.362 17 QG ARG 1 QG ARG 1 -1.627 4.567 8.256 18 QD ARG 1 QD ARG 1 -0.221 6.196 9.473 19 QH1 ARG 1 QH2 ARG 1 0.428 5.865 6.161 20 QH2 ARG 1 QH1 ARG 1 2.975 4.052 7.040 21 H ILE 2 HN ILE 2 -3.349 7.422 8.720 22 HA ILE 2 HA ILE 2 -5.929 6.479 7.505 23 HB ILE 2 HB ILE 2 -4.616 9.194 7.280 24 1HG1 ILE 2 2HG1 ILE 2 -5.255 8.929 9.620 25 2HG1 ILE 2 3HG1 ILE 2 -6.265 10.109 8.799 26 1HG2 ILE 2 1HG2 ILE 2 -7.361 8.173 6.459 27 2HG2 ILE 2 2HG2 ILE 2 -6.880 9.885 6.458 28 3HG2 ILE 2 3HG2 ILE 2 -6.054 8.730 5.401 29 1HD1 ILE 2 1HD1 ILE 2 -7.085 7.246 9.437 30 2HD1 ILE 2 2HD1 ILE 2 -7.584 8.705 10.305 31 3HD1 ILE 2 3HD1 ILE 2 -8.110 8.461 8.635 32 QG1 ILE 2 QG1 ILE 2 -5.760 9.519 9.210 33 QG2 ILE 2 QG2 ILE 2 -6.765 8.929 6.106 34 QD1 ILE 2 QD1 ILE 2 -7.593 8.137 9.459 35 H CYS 3 HN CYS 3 -5.803 5.765 5.363 36 HA CYS 3 HA CYS 3 -3.355 6.307 3.782 37 1HB CYS 3 2HB CYS 3 -4.122 3.565 4.857 38 2HB CYS 3 3HB CYS 3 -3.081 3.788 3.450 39 QB CYS 3 QB CYS 3 -3.601 3.676 4.154 40 OH TYR 4 OH TYR 4 -4.676 11.651 -0.600 41 H TYR 4 HN TYR 4 -3.451 5.551 1.623 42 HA TYR 4 HA TYR 4 -6.136 5.891 0.479 43 1HB TYR 4 2HB TYR 4 -3.359 5.663 -0.581 44 2HB TYR 4 3HB TYR 4 -4.698 5.560 -1.692 45 HD1 TYR 4 HD2 TYR 4 -6.473 7.578 -1.491 46 HD2 TYR 4 HD1 TYR 4 -2.404 7.756 -0.074 47 HE1 TYR 4 HE2 TYR 4 -6.603 10.038 -1.443 48 HE2 TYR 4 HE1 TYR 4 -2.524 10.227 -0.111 49 HH TYR 4 HH TYR 4 -5.394 12.023 -1.118 50 QB TYR 4 QB TYR 4 -4.028 5.611 -1.136 51 QR TYR 4 QR TYR 4 -4.501 8.900 -0.779 52 H ASN 5 HN ASN 5 -7.332 4.367 -0.508 53 HA ASN 5 HA ASN 5 -6.242 1.631 -0.912 54 1HB ASN 5 2HB ASN 5 -8.012 0.555 0.213 55 2HB ASN 5 3HB ASN 5 -7.295 1.692 1.358 56 1HD2 ASN 5 2HD2 ASN 5 -11.189 1.824 1.069 57 2HD2 ASN 5 1HD2 ASN 5 -10.143 0.427 0.912 58 QB ASN 5 QB ASN 5 -7.653 1.123 0.786 59 QD2 ASN 5 QD2 ASN 5 -10.666 1.125 0.991 60 H HIS 6 HN HIS 6 -6.507 3.366 -2.927 61 HA HIS 6 HA HIS 6 -8.796 2.196 -4.444 62 1HB HIS 6 2HB HIS 6 -8.476 3.980 -6.120 63 2HB HIS 6 3HB HIS 6 -9.095 4.543 -4.604 64 HD1 HIS 6 HD1 HIS 6 -6.410 5.188 -7.087 65 HD2 HIS 6 HD2 HIS 6 -7.020 5.735 -2.956 66 HE1 HIS 6 HE1 HIS 6 -4.575 6.862 -6.269 67 HE2 HIS 6 HE2 HIS 6 -4.999 7.200 -3.767 68 QB HIS 6 QB HIS 6 -8.785 4.261 -5.362 69 H GLN 7 HN GLN 7 -8.179 1.237 -6.316 70 HA GLN 7 HA GLN 7 -5.327 0.547 -6.573 71 1HB GLN 7 2HB GLN 7 -6.194 -1.116 -8.223 72 2HB GLN 7 3HB GLN 7 -6.764 -1.306 -6.570 73 1HG GLN 7 2HG GLN 7 -8.968 -0.411 -7.172 74 2HG GLN 7 3HG GLN 7 -8.373 0.007 -8.790 75 1HE2 GLN 7 2HE2 GLN 7 -8.544 -4.052 -8.199 76 2HE2 GLN 7 1HE2 GLN 7 -7.629 -3.077 -7.069 77 QB GLN 7 QB GLN 7 -6.479 -1.211 -7.396 78 QG GLN 7 QG GLN 7 -8.670 -0.202 -7.981 79 QE2 GLN 7 QE2 GLN 7 -8.086 -3.565 -7.634 80 H SER 8 HN SER 8 -5.058 0.245 -9.300 81 HA SER 8 HA SER 8 -4.670 2.769 -10.386 82 1HB SER 8 2HB SER 8 -5.345 0.097 -11.711 83 2HB SER 8 3HB SER 8 -5.061 1.560 -12.672 84 HG SER 8 HG SER 8 -3.115 0.650 -12.502 85 QB SER 8 QB SER 8 -5.203 0.828 -12.191 86 H THR 9 HN THR 9 -5.916 3.995 -11.903 87 HA THR 9 HA THR 9 -7.799 5.084 -12.614 88 HB THR 9 HB THR 9 -6.879 3.583 -14.303 89 HG1 THR 9 1HG THR 9 -8.601 4.980 -14.810 90 1HG2 THR 9 1HG2 THR 9 -9.093 1.633 -13.552 91 2HG2 THR 9 2HG2 THR 9 -8.076 1.553 -14.997 92 3HG2 THR 9 3HG2 THR 9 -7.351 1.351 -13.401 93 QG2 THR 9 QG2 THR 9 -8.173 1.512 -13.983 94 H THR 10 HN THR 10 -8.422 4.424 -10.014 95 HA THR 10 HA THR 10 -11.374 4.128 -10.233 96 HB THR 10 HB THR 10 -11.193 2.933 -7.959 97 HG1 THR 10 1HG THR 10 -8.614 2.360 -8.988 98 1HG2 THR 10 1HG2 THR 10 -10.226 1.483 -10.475 99 2HG2 THR 10 2HG2 THR 10 -10.869 0.719 -9.016 100 3HG2 THR 10 3HG2 THR 10 -11.905 1.769 -10.007 101 QG2 THR 10 QG2 THR 10 -11.000 1.324 -9.832 102 NH1 ARG 11 NH2 ARG 11 -18.071 8.827 -6.180 103 NH2 ARG 11 NH1 ARG 11 -17.943 9.422 -8.415 104 H ARG 11 HN ARG 11 -12.500 5.285 -8.649 105 HA ARG 11 HA ARG 11 -11.656 7.885 -8.172 106 1HB ARG 11 2HB ARG 11 -13.987 7.090 -8.096 107 2HB ARG 11 3HB ARG 11 -13.652 6.194 -6.606 108 1HG ARG 11 2HG ARG 11 -13.225 8.269 -5.391 109 2HG ARG 11 3HG ARG 11 -13.413 9.231 -6.865 110 1HD ARG 11 2HD ARG 11 -15.593 7.448 -5.684 111 2HD ARG 11 3HD ARG 11 -15.398 9.171 -5.297 112 HE ARG 11 HE ARG 11 -15.488 8.919 -8.116 113 1HH1 ARG 11 2HH2 ARG 11 -17.614 8.513 -5.337 114 2HH1 ARG 11 1HH2 ARG 11 -19.068 8.988 -6.161 115 1HH2 ARG 11 2HH1 ARG 11 -17.408 9.576 -9.259 116 2HH2 ARG 11 1HH1 ARG 11 -18.937 9.600 -8.447 117 QB ARG 11 QB ARG 11 -13.819 6.642 -7.351 118 QG ARG 11 QG ARG 11 -13.319 8.750 -6.128 119 QD ARG 11 QD ARG 11 -15.495 8.309 -5.490 120 QH1 ARG 11 QH2 ARG 11 -18.341 8.750 -5.749 121 QH2 ARG 11 QH1 ARG 11 -18.172 9.588 -8.853 122 H ALA 12 HN ALA 12 -10.463 8.908 -6.577 123 HA ALA 12 HA ALA 12 -8.683 7.415 -4.975 124 1HB ALA 12 3HB ALA 12 -8.207 9.678 -5.765 125 2HB ALA 12 1HB ALA 12 -9.514 10.330 -4.751 126 3HB ALA 12 2HB ALA 12 -8.083 9.593 -3.995 127 QB ALA 12 QB ALA 12 -8.601 9.867 -4.837 128 H THR 13 HN THR 13 -9.403 6.062 -3.352 129 HA THR 13 HA THR 13 -11.335 7.056 -1.324 130 HB THR 13 HB THR 13 -11.410 4.531 -0.850 131 HG1 THR 13 1HG THR 13 -10.252 3.265 -2.144 132 1HG2 THR 13 1HG2 THR 13 -12.301 5.491 -3.613 133 2HG2 THR 13 2HG2 THR 13 -12.888 4.036 -2.791 134 3HG2 THR 13 3HG2 THR 13 -13.230 5.637 -2.108 135 QG2 THR 13 QG2 THR 13 -12.806 5.055 -2.837 136 H THR 14 HN THR 14 -10.751 6.878 0.870 137 HA THR 14 HA THR 14 -8.068 5.819 1.513 138 HB THR 14 HB THR 14 -8.169 7.471 3.492 139 HG1 THR 14 1HG THR 14 -10.372 8.087 3.061 140 1HG2 THR 14 3HG2 THR 14 -7.775 8.627 0.707 141 2HG2 THR 14 1HG2 THR 14 -7.207 9.346 2.229 142 3HG2 THR 14 2HG2 THR 14 -6.545 7.797 1.692 143 QG2 THR 14 QG2 THR 14 -7.176 8.590 1.543 144 H LYS 15 HN LYS 15 -7.952 4.722 3.441 145 HA LYS 15 HA LYS 15 -10.438 4.316 5.007 146 1HB LYS 15 2HB LYS 15 -8.673 2.270 3.767 147 2HB LYS 15 3HB LYS 15 -8.879 2.031 5.480 148 1HG LYS 15 2HG LYS 15 -11.243 2.512 3.657 149 2HG LYS 15 3HG LYS 15 -10.592 0.889 3.856 150 1HD LYS 15 2HD LYS 15 -11.367 2.529 6.312 151 2HD LYS 15 3HD LYS 15 -12.589 1.743 5.350 152 1HE LYS 15 2HE LYS 15 -11.937 0.401 7.302 153 2HE LYS 15 3HE LYS 15 -11.731 -0.450 5.771 154 1HZ LYS 15 2HZ LYS 15 -9.493 0.828 7.269 155 2HZ LYS 15 3HZ LYS 15 -9.902 -0.749 7.350 156 3HZ LYS 15 1HZ LYS 15 -9.390 -0.116 5.924 157 QB LYS 15 QB LYS 15 -8.776 2.150 4.624 158 QG LYS 15 QG LYS 15 -10.917 1.700 3.757 159 QD LYS 15 QD LYS 15 -11.978 2.136 5.831 160 QE LYS 15 QE LYS 15 -11.834 -0.025 6.537 161 QZ LYS 15 QZ LYS 15 -9.595 -0.012 6.848 162 H SER 16 HN SER 16 -9.778 3.548 7.183 163 HA SER 16 HA SER 16 -7.194 4.706 8.057 164 1HB SER 16 2HB SER 16 -9.115 5.714 9.232 165 2HB SER 16 3HB SER 16 -9.631 4.103 9.783 166 HG SER 16 HG SER 16 -7.029 5.152 10.255 167 QB SER 16 QB SER 16 -9.373 4.908 9.508 168 H CYS 17 HN CYS 17 -5.918 3.366 9.356 169 HA CYS 17 HA CYS 17 -6.622 0.543 9.716 170 1HB CYS 17 2HB CYS 17 -4.839 1.225 7.663 171 2HB CYS 17 3HB CYS 17 -3.951 0.434 8.983 172 QB CYS 17 QB CYS 17 -4.395 0.829 8.323 173 H GLU 20 HN GLU 20 -5.144 -0.461 11.241 174 HA GLU 20 HA GLU 20 -4.346 1.355 13.388 175 1HB GLU 20 2HB GLU 20 -4.075 -0.719 14.668 176 2HB GLU 20 3HB GLU 20 -5.668 -0.562 13.926 177 1HG GLU 20 2HG GLU 20 -4.786 -2.146 12.049 178 2HG GLU 20 3HG GLU 20 -3.410 -2.425 13.128 179 QB GLU 20 QB GLU 20 -4.871 -0.641 14.297 180 QG GLU 20 QG GLU 20 -4.098 -2.286 12.589 181 H GLU 21 HN GLU 21 -2.776 -0.852 11.056 182 HA GLU 21 HA GLU 21 -0.230 -1.015 12.023 183 1HB GLU 21 2HB GLU 21 -1.188 -0.589 9.188 184 2HB GLU 21 3HB GLU 21 0.469 -0.734 9.474 185 1HG GLU 21 2HG GLU 21 -1.294 -2.895 10.644 186 2HG GLU 21 3HG GLU 21 -0.792 -2.941 8.957 187 QB GLU 21 QB GLU 21 -0.359 -0.662 9.331 188 QG GLU 21 QG GLU 21 -1.043 -2.918 9.801 189 H ASN 22 HN ASN 22 1.655 -0.048 11.545 190 HA ASN 22 HA ASN 22 1.629 2.929 11.697 191 1HB ASN 22 2HB ASN 22 3.038 1.638 13.286 192 2HB ASN 22 3HB ASN 22 3.962 0.987 11.916 193 1HD2 ASN 22 2HD2 ASN 22 6.163 3.717 12.603 194 2HD2 ASN 22 1HD2 ASN 22 5.941 1.978 12.708 195 QB ASN 22 QB ASN 22 3.500 1.312 12.601 196 QD2 ASN 22 QD2 ASN 22 6.052 2.847 12.656 197 H SER 23 HN SER 23 2.120 0.322 9.384 198 HA SER 23 HA SER 23 3.683 2.048 7.528 199 1HB SER 23 2HB SER 23 3.193 -0.884 7.236 200 2HB SER 23 3HB SER 23 4.517 0.106 6.663 201 HG SER 23 HG SER 23 4.109 -0.976 9.222 202 QB SER 23 QB SER 23 3.855 -0.389 6.950 203 H CYS 24 HN CYS 24 3.008 1.911 5.262 204 HA CYS 24 HA CYS 24 0.523 0.502 4.598 205 1HB CYS 24 2HB CYS 24 0.716 3.529 4.341 206 2HB CYS 24 3HB CYS 24 -0.431 2.546 3.415 207 QB CYS 24 QB CYS 24 0.143 3.037 3.878 208 OH TYR 25 OH TYR 25 -2.475 -4.008 -0.438 209 H TYR 25 HN TYR 25 0.230 0.448 2.151 210 HA TYR 25 HA TYR 25 2.829 0.811 0.783 211 1HB TYR 25 2HB TYR 25 3.094 -1.486 0.327 212 2HB TYR 25 3HB TYR 25 2.627 -1.465 2.019 213 HD1 TYR 25 HD2 TYR 25 1.632 -2.332 -1.401 214 HD2 TYR 25 HD1 TYR 25 0.350 -2.324 2.697 215 HE1 TYR 25 HE2 TYR 25 -0.650 -3.051 -2.095 216 HE2 TYR 25 HE1 TYR 25 -1.670 -3.613 2.049 217 HH TYR 25 HH TYR 25 -2.772 -3.723 -1.321 218 QB TYR 25 QB TYR 25 2.861 -1.476 1.173 219 QR TYR 25 QR TYR 25 -0.084 -2.830 0.313 220 H LYS 26 HN LYS 26 2.955 0.317 -1.385 221 HA LYS 26 HA LYS 26 0.478 0.426 -3.023 222 1HB LYS 26 2HB LYS 26 1.862 2.536 -3.190 223 2HB LYS 26 3HB LYS 26 3.252 1.541 -3.625 224 1HG LYS 26 2HG LYS 26 1.620 0.653 -5.537 225 2HG LYS 26 3HG LYS 26 0.745 2.138 -5.224 226 1HD LYS 26 2HD LYS 26 3.714 1.885 -5.930 227 2HD LYS 26 3HD LYS 26 2.467 2.193 -7.124 228 1HE LYS 26 2HE LYS 26 3.295 3.988 -4.812 229 2HE LYS 26 3HE LYS 26 3.725 4.209 -6.529 230 1HZ LYS 26 1HZ LYS 26 1.003 4.473 -5.379 231 2HZ LYS 26 2HZ LYS 26 1.958 5.666 -5.759 232 3HZ LYS 26 3HZ LYS 26 1.427 4.708 -6.976 233 QB LYS 26 QB LYS 26 2.557 2.038 -3.407 234 QG LYS 26 QG LYS 26 1.183 1.395 -5.380 235 QD LYS 26 QD LYS 26 3.091 2.039 -6.527 236 QE LYS 26 QE LYS 26 3.510 4.098 -5.670 237 QZ LYS 26 QZ LYS 26 1.463 4.949 -6.038 238 H LYS 27 HN LYS 27 0.308 -1.615 -3.901 239 HA LYS 27 HA LYS 27 2.648 -3.265 -4.712 240 1HB LYS 27 2HB LYS 27 -0.365 -3.732 -4.625 241 2HB LYS 27 3HB LYS 27 0.705 -4.664 -5.669 242 1HG LYS 27 2HG LYS 27 2.080 -5.275 -3.654 243 2HG LYS 27 3HG LYS 27 0.739 -4.727 -2.660 244 1HD LYS 27 2HD LYS 27 0.767 -6.919 -4.777 245 2HD LYS 27 3HD LYS 27 0.580 -7.142 -3.045 246 1HE LYS 27 2HE LYS 27 -1.479 -5.835 -4.898 247 2HE LYS 27 3HE LYS 27 -1.520 -7.478 -4.279 248 1HZ LYS 27 3HZ LYS 27 -1.653 -6.498 -2.003 249 2HZ LYS 27 1HZ LYS 27 -1.879 -5.006 -2.734 250 3HZ LYS 27 2HZ LYS 27 -2.927 -6.136 -2.987 251 QB LYS 27 QB LYS 27 0.170 -4.198 -5.147 252 QG LYS 27 QG LYS 27 1.410 -5.001 -3.157 253 QD LYS 27 QD LYS 27 0.674 -7.031 -3.911 254 QE LYS 27 QE LYS 27 -1.499 -6.657 -4.588 255 QZ LYS 27 QZ LYS 27 -2.153 -5.880 -2.574 256 OH TYR 28 OH TYR 28 8.194 -1.441 -6.632 257 H TYR 28 HN TYR 28 3.112 -3.453 -7.042 258 HA TYR 28 HA TYR 28 1.173 -2.320 -8.882 259 1HB TYR 28 2HB TYR 28 3.023 -1.074 -9.942 260 2HB TYR 28 3HB TYR 28 2.418 -0.386 -8.431 261 HD1 TYR 28 HD1 TYR 28 5.317 -1.992 -10.095 262 HD2 TYR 28 HD2 TYR 28 3.789 -0.382 -6.404 263 HE1 TYR 28 HE1 TYR 28 7.594 -2.061 -9.116 264 HE2 TYR 28 HE2 TYR 28 6.081 -0.265 -5.503 265 HH TYR 28 HH TYR 28 8.172 -1.398 -5.668 266 QB TYR 28 QB TYR 28 2.721 -0.730 -9.186 267 QR TYR 28 QR TYR 28 5.695 -1.175 -7.779 268 CH2 TRP 29 CH2 TRP 29 -2.577 -5.806 -8.371 269 H TRP 29 HN TRP 29 1.178 -3.328 -10.828 270 HA TRP 29 HA TRP 29 3.545 -4.706 -11.790 271 1HB TRP 29 2HB TRP 29 2.461 -6.816 -12.093 272 2HB TRP 29 3HB TRP 29 2.517 -6.420 -10.383 273 HD1 TRP 29 HD1 TRP 29 0.261 -7.664 -12.964 274 HE1 TRP 29 HE1 TRP 29 -2.110 -7.885 -12.113 275 HE3 TRP 29 HE3 TRP 29 0.720 -4.993 -8.600 276 HZ2 TRP 29 HZ2 TRP 29 -3.646 -7.049 -9.780 277 HZ3 TRP 29 HZ3 TRP 29 -1.243 -4.596 -7.181 278 HH2 TRP 29 HH2 TRP 29 -3.424 -5.667 -7.715 279 QB TRP 29 QB TRP 29 2.489 -6.618 -11.238 280 NH1 ARG 30 NH2 ARG 30 5.873 -3.622 -17.898 281 NH2 ARG 30 NH1 ARG 30 6.229 -2.653 -19.973 282 H ARG 30 HN ARG 30 2.747 -5.761 -14.078 283 HA ARG 30 HA ARG 30 0.746 -4.145 -15.415 284 1HB ARG 30 2HB ARG 30 2.555 -2.546 -15.375 285 2HB ARG 30 3HB ARG 30 3.735 -3.765 -15.884 286 1HG ARG 30 2HG ARG 30 1.409 -2.901 -17.634 287 2HG ARG 30 3HG ARG 30 2.915 -2.005 -17.587 288 1HD ARG 30 2HD ARG 30 3.500 -4.860 -18.061 289 2HD ARG 30 3HD ARG 30 2.281 -4.271 -19.170 290 HE ARG 30 HE ARG 30 3.748 -2.968 -20.243 291 1HH1 ARG 30 2HH2 ARG 30 5.237 -4.036 -17.234 292 2HH1 ARG 30 1HH2 ARG 30 6.851 -3.560 -17.658 293 1HH2 ARG 30 2HH1 ARG 30 5.882 -2.344 -20.870 294 2HH2 ARG 30 1HH1 ARG 30 7.217 -2.566 -19.788 295 QB ARG 30 QB ARG 30 3.145 -3.156 -15.629 296 QG ARG 30 QG ARG 30 2.162 -2.453 -17.610 297 QD ARG 30 QD ARG 30 2.891 -4.566 -18.615 298 QH1 ARG 30 QH2 ARG 30 6.044 -3.798 -17.446 299 QH2 ARG 30 QH1 ARG 30 6.550 -2.455 -20.329 300 H ASP 31 HN ASP 31 0.419 -4.905 -17.486 301 HA ASP 31 HA ASP 31 1.613 -7.524 -18.258 302 1HB ASP 31 2HB ASP 31 -1.340 -7.173 -17.491 303 2HB ASP 31 3HB ASP 31 -0.662 -8.562 -18.357 304 QB ASP 31 QB ASP 31 -1.001 -7.868 -17.924 305 H HIS 32 HN HIS 32 -1.392 -5.788 -18.876 306 HA HIS 32 HA HIS 32 -0.913 -5.833 -21.782 307 1HB HIS 32 2HB HIS 32 -3.074 -6.479 -20.489 308 2HB HIS 32 3HB HIS 32 -3.346 -4.750 -20.312 309 HD1 HIS 32 HD1 HIS 32 -2.229 -6.801 -23.461 310 HD2 HIS 32 HD2 HIS 32 -5.437 -4.531 -21.915 311 HE1 HIS 32 HE1 HIS 32 -4.017 -6.705 -25.302 312 HE2 HIS 32 HE2 HIS 32 -5.955 -5.313 -24.355 313 QB HIS 32 QB HIS 32 -3.210 -5.615 -20.400 314 NH1 ARG 33 NH2 ARG 33 -1.331 3.889 -23.613 315 NH2 ARG 33 NH1 ARG 33 -3.599 3.700 -24.049 316 H ARG 33 HN ARG 33 -2.537 -3.330 -22.155 317 HA ARG 33 HA ARG 33 -0.243 -1.561 -22.235 318 1HB ARG 33 2HB ARG 33 -2.205 -2.152 -23.983 319 2HB ARG 33 3HB ARG 33 -2.974 -0.755 -23.250 320 1HG ARG 33 2HG ARG 33 -0.144 -0.850 -24.421 321 2HG ARG 33 3HG ARG 33 -1.573 -0.418 -25.357 322 1HD ARG 33 2HD ARG 33 -0.562 1.137 -22.937 323 2HD ARG 33 3HD ARG 33 -0.265 1.538 -24.642 324 HE ARG 33 HE ARG 33 -3.077 1.237 -24.175 325 1HH1 ARG 33 2HH2 ARG 33 -0.436 3.445 -23.475 326 2HH1 ARG 33 1HH2 ARG 33 -1.394 4.892 -23.519 327 1HH2 ARG 33 2HH1 ARG 33 -4.408 3.138 -24.270 328 2HH2 ARG 33 1HH1 ARG 33 -3.721 4.699 -23.966 329 QB ARG 33 QB ARG 33 -2.589 -1.454 -23.616 330 QG ARG 33 QG ARG 33 -0.858 -0.634 -24.889 331 QD ARG 33 QD ARG 33 -0.413 1.337 -23.789 332 QH1 ARG 33 QH2 ARG 33 -0.915 4.168 -23.497 333 QH2 ARG 33 QH1 ARG 33 -4.064 3.918 -24.118 334 H GLY 34 HN GLY 34 -1.030 -2.069 -19.590 335 1HA GLY 34 1HA GLY 34 -1.030 0.584 -18.614 336 2HA GLY 34 2HA GLY 34 -2.650 -0.090 -18.335 337 QA GLY 34 QA GLY 34 -1.840 0.247 -18.474 338 H THR 35 HN THR 35 -0.866 0.627 -16.291 339 HA THR 35 HA THR 35 0.175 -1.903 -15.184 340 HB THR 35 HB THR 35 1.692 -0.020 -15.316 341 HG1 THR 35 1HG THR 35 1.517 -1.552 -13.385 342 1HG2 THR 35 3HG2 THR 35 -0.163 1.443 -13.402 343 2HG2 THR 35 1HG2 THR 35 1.486 1.917 -13.819 344 3HG2 THR 35 2HG2 THR 35 0.230 1.928 -15.061 345 QG2 THR 35 QG2 THR 35 0.518 1.763 -14.094 346 H ILE 36 HN ILE 36 -0.608 -2.761 -13.294 347 HA ILE 36 HA ILE 36 -3.183 -1.669 -12.259 348 HB ILE 36 HB ILE 36 -2.060 -4.467 -11.996 349 1HG1 ILE 36 2HG1 ILE 36 -4.268 -3.387 -13.811 350 2HG1 ILE 36 3HG1 ILE 36 -2.681 -3.964 -14.344 351 1HG2 ILE 36 3HG2 ILE 36 -3.581 -3.641 -10.142 352 2HG2 ILE 36 1HG2 ILE 36 -4.819 -3.297 -11.364 353 3HG2 ILE 36 2HG2 ILE 36 -4.295 -4.962 -11.067 354 1HD1 ILE 36 3HD1 ILE 36 -3.204 -6.224 -13.439 355 2HD1 ILE 36 1HD1 ILE 36 -4.865 -5.672 -13.109 356 3HD1 ILE 36 2HD1 ILE 36 -4.253 -5.696 -14.765 357 QG1 ILE 36 QG1 ILE 36 -3.474 -3.676 -14.077 358 QG2 ILE 36 QG2 ILE 36 -4.232 -3.967 -10.857 359 QD1 ILE 36 QD1 ILE 36 -4.107 -5.864 -13.771 360 H ILE 37 HN ILE 37 -2.719 -0.356 -10.636 361 HA ILE 37 HA ILE 37 -0.555 -0.933 -8.696 362 HB ILE 37 HB ILE 37 -2.204 1.620 -9.037 363 1HG1 ILE 37 2HG1 ILE 37 -1.081 1.338 -11.175 364 2HG1 ILE 37 3HG1 ILE 37 -0.355 2.639 -10.255 365 1HG2 ILE 37 2HG2 ILE 37 0.495 0.957 -7.708 366 2HG2 ILE 37 3HG2 ILE 37 -0.118 2.589 -7.895 367 3HG2 ILE 37 1HG2 ILE 37 -0.989 1.414 -6.876 368 1HD1 ILE 37 2HD1 ILE 37 0.811 -0.162 -10.525 369 2HD1 ILE 37 3HD1 ILE 37 1.310 1.271 -11.436 370 3HD1 ILE 37 1HD1 ILE 37 1.564 1.234 -9.697 371 QG1 ILE 37 QG1 ILE 37 -0.718 1.988 -10.715 372 QG2 ILE 37 QG2 ILE 37 -0.204 1.653 -7.493 373 QD1 ILE 37 QD1 ILE 37 1.228 0.781 -10.552 374 H GLU 38 HN GLU 38 -1.226 -1.337 -6.522 375 HA GLU 38 HA GLU 38 -4.024 -0.893 -5.763 376 1HB GLU 38 2HB GLU 38 -4.112 -3.113 -6.724 377 2HB GLU 38 3HB GLU 38 -2.781 -3.660 -5.697 378 1HG GLU 38 2HG GLU 38 -5.208 -2.516 -4.302 379 2HG GLU 38 3HG GLU 38 -5.383 -4.050 -5.124 380 QB GLU 38 QB GLU 38 -3.446 -3.387 -6.210 381 QG GLU 38 QG GLU 38 -5.295 -3.283 -4.713 382 NH1 ARG 39 NH2 ARG 39 -1.629 3.896 -6.076 383 NH2 ARG 39 NH1 ARG 39 -3.842 3.584 -6.667 384 H ARG 39 HN ARG 39 -4.187 -1.004 -3.283 385 HA ARG 39 HA ARG 39 -1.594 -0.435 -2.038 386 1HB ARG 39 2HB ARG 39 -4.036 1.394 -1.962 387 2HB ARG 39 3HB ARG 39 -2.408 1.671 -1.353 388 1HG ARG 39 2HG ARG 39 -1.611 1.575 -3.799 389 2HG ARG 39 3HG ARG 39 -3.337 1.569 -4.232 390 1HD ARG 39 2HD ARG 39 -3.159 3.692 -2.438 391 2HD ARG 39 3HD ARG 39 -1.603 3.748 -3.280 392 HE ARG 39 HE ARG 39 -4.157 4.502 -4.266 393 1HH1 ARG 39 2HH2 ARG 39 -1.094 4.519 -5.455 394 2HH1 ARG 39 1HH2 ARG 39 -1.343 3.774 -7.026 395 1HH2 ARG 39 2HH1 ARG 39 -4.738 3.252 -6.309 396 2HH2 ARG 39 1HH1 ARG 39 -3.625 3.432 -7.642 397 QB ARG 39 QB ARG 39 -3.222 1.532 -1.657 398 QG ARG 39 QG ARG 39 -2.474 1.572 -4.015 399 QD ARG 39 QD ARG 39 -2.381 3.720 -2.859 400 QH1 ARG 39 QH2 ARG 39 -1.218 4.146 -6.240 401 QH2 ARG 39 QH1 ARG 39 -4.181 3.342 -6.975 402 H GLY 40 HN GLY 40 -1.848 -0.215 0.324 403 1HA GLY 40 1HA GLY 40 -4.331 -0.401 1.606 404 2HA GLY 40 2HA GLY 40 -3.663 -2.049 1.546 405 QA GLY 40 QA GLY 40 -3.997 -1.225 1.576 406 H CYS 41 HN CYS 41 -3.721 -1.637 3.964 407 HA CYS 41 HA CYS 41 -1.661 0.134 5.018 408 1HB CYS 41 2HB CYS 41 -3.053 0.210 6.899 409 2HB CYS 41 3HB CYS 41 -4.209 -0.080 5.631 410 QB CYS 41 QB CYS 41 -3.631 0.065 6.265 411 H GLY 42 HN GLY 42 -0.204 -0.693 6.698 412 1HA GLY 42 1HA GLY 42 1.190 -2.286 7.637 413 2HA GLY 42 2HA GLY 42 0.318 -3.594 6.823 414 QA GLY 42 QA GLY 42 0.754 -2.940 7.230 415 H CYS 43 HN CYS 43 2.663 -4.251 6.515 416 HA CYS 43 HA CYS 43 3.600 -3.409 3.830 417 1HB CYS 43 2HB CYS 43 4.786 -1.914 5.332 418 2HB CYS 43 3HB CYS 43 5.369 -3.272 6.298 419 QB CYS 43 QB CYS 43 5.078 -2.593 5.815 420 HA PRO 44 HA PRO 44 3.946 -7.964 4.760 421 1HB PRO 44 2HB PRO 44 2.245 -8.992 2.916 422 2HB PRO 44 3HB PRO 44 1.632 -8.240 4.417 423 1HG PRO 44 2HG PRO 44 1.926 -6.918 1.695 424 2HG PRO 44 3HG PRO 44 0.462 -6.977 2.722 425 1HD PRO 44 2HD PRO 44 2.166 -4.850 2.756 426 2HD PRO 44 3HD PRO 44 1.371 -5.421 4.251 427 QB PRO 44 QB PRO 44 1.939 -8.616 3.667 428 QG PRO 44 QG PRO 44 1.194 -6.948 2.209 429 QD PRO 44 QD PRO 44 1.769 -5.136 3.504 430 H LYS 45 HN LYS 45 4.944 -9.643 3.324 431 HA LYS 45 HA LYS 45 6.384 -8.425 1.039 432 1HB LYS 45 2HB LYS 45 7.708 -9.588 2.619 433 2HB LYS 45 3HB LYS 45 6.794 -11.088 2.336 434 1HG LYS 45 2HG LYS 45 8.915 -11.234 1.225 435 2HG LYS 45 3HG LYS 45 7.654 -11.160 0.025 436 1HD LYS 45 2HD LYS 45 9.584 -9.821 -0.648 437 2HD LYS 45 3HD LYS 45 8.175 -8.806 -0.478 438 1HE LYS 45 2HE LYS 45 10.112 -7.665 0.404 439 2HE LYS 45 3HE LYS 45 8.958 -7.952 1.702 440 1HZ LYS 45 2HZ LYS 45 11.378 -9.562 1.165 441 2HZ LYS 45 3HZ LYS 45 11.215 -8.440 2.352 442 3HZ LYS 45 1HZ LYS 45 10.319 -9.814 2.403 443 QB LYS 45 QB LYS 45 7.251 -10.338 2.478 444 QG LYS 45 QG LYS 45 8.285 -11.197 0.625 445 QD LYS 45 QD LYS 45 8.880 -9.314 -0.563 446 QE LYS 45 QE LYS 45 9.535 -7.809 1.053 447 QZ LYS 45 QZ LYS 45 10.971 -9.272 1.974 448 H VAL 46 HN VAL 46 6.286 -9.175 -0.826 449 HA VAL 46 HA VAL 46 3.918 -10.785 -1.724 450 HB VAL 46 HB VAL 46 3.596 -9.354 -3.610 451 1HG1 VAL 46 3HG1 VAL 46 2.451 -8.768 -1.513 452 2HG1 VAL 46 1HG1 VAL 46 3.794 -7.704 -1.052 453 3HG1 VAL 46 2HG1 VAL 46 2.823 -7.330 -2.482 454 1HG2 VAL 46 2HG2 VAL 46 5.903 -8.641 -4.071 455 2HG2 VAL 46 3HG2 VAL 46 4.813 -7.264 -3.943 456 3HG2 VAL 46 1HG2 VAL 46 5.904 -7.656 -2.596 457 QG1 VAL 46 QG1 VAL 46 3.023 -7.934 -1.682 458 QG2 VAL 46 QG2 VAL 46 5.540 -7.854 -3.536 459 QQG VAL 46 QQG VAL 46 4.281 -7.894 -2.609 460 H LYS 47 HN LYS 47 4.258 -11.376 -4.168 461 HA LYS 47 HA LYS 47 6.676 -13.087 -4.015 462 1HB LYS 47 2HB LYS 47 4.311 -13.752 -5.719 463 2HB LYS 47 3HB LYS 47 5.394 -14.824 -4.838 464 1HG LYS 47 2HG LYS 47 3.102 -13.181 -3.733 465 2HG LYS 47 3HG LYS 47 3.185 -14.925 -3.881 466 1HD LYS 47 2HD LYS 47 4.760 -15.158 -2.102 467 2HD LYS 47 3HD LYS 47 5.137 -13.448 -2.062 468 1HE LYS 47 2HE LYS 47 2.558 -13.120 -1.522 469 2HE LYS 47 3HE LYS 47 2.623 -14.835 -1.107 470 1HZ LYS 47 3HZ LYS 47 4.435 -14.189 0.468 471 2HZ LYS 47 1HZ LYS 47 4.099 -12.593 0.166 472 3HZ LYS 47 2HZ LYS 47 2.964 -13.554 0.815 473 QB LYS 47 QB LYS 47 4.853 -14.288 -5.278 474 QG LYS 47 QG LYS 47 3.144 -14.053 -3.807 475 QD LYS 47 QD LYS 47 4.949 -14.303 -2.082 476 QE LYS 47 QE LYS 47 2.591 -13.978 -1.314 477 QZ LYS 47 QZ LYS 47 3.833 -13.445 0.483 478 HA PRO 48 HA PRO 48 8.561 -11.111 -7.143 479 1HB PRO 48 2HB PRO 48 9.540 -12.971 -8.992 480 2HB PRO 48 3HB PRO 48 10.189 -12.681 -7.351 481 1HG PRO 48 2HG PRO 48 8.205 -14.787 -8.218 482 2HG PRO 48 3HG PRO 48 9.653 -15.002 -7.187 483 1HD PRO 48 2HD PRO 48 7.206 -14.773 -6.100 484 2HD PRO 48 3HD PRO 48 8.579 -13.908 -5.339 485 QB PRO 48 QB PRO 48 9.865 -12.826 -8.171 486 QG PRO 48 QG PRO 48 8.929 -14.895 -7.702 487 QD PRO 48 QD PRO 48 7.893 -14.341 -5.719 488 H GLY 49 HN GLY 49 8.553 -10.103 -9.196 489 1HA GLY 49 1HA GLY 49 7.836 -9.564 -11.291 490 2HA GLY 49 2HA GLY 49 6.556 -10.763 -11.129 491 QA GLY 49 QA GLY 49 7.196 -10.164 -11.210 492 H VAL 50 HN VAL 50 5.480 -10.042 -8.655 493 HA VAL 50 HA VAL 50 4.020 -7.587 -9.321 494 HB VAL 50 HB VAL 50 3.737 -9.414 -6.909 495 1HG1 VAL 50 1HG1 VAL 50 1.890 -7.288 -8.077 496 2HG1 VAL 50 2HG1 VAL 50 1.506 -8.361 -6.718 497 3HG1 VAL 50 3HG1 VAL 50 2.790 -7.148 -6.551 498 1HG2 VAL 50 3HG2 VAL 50 2.253 -9.369 -9.572 499 2HG2 VAL 50 1HG2 VAL 50 3.255 -10.691 -8.940 500 3HG2 VAL 50 2HG2 VAL 50 1.734 -10.281 -8.144 501 QG1 VAL 50 QG1 VAL 50 2.062 -7.599 -7.115 502 QG2 VAL 50 QG2 VAL 50 2.414 -10.114 -8.885 503 QQG VAL 50 QQG VAL 50 2.238 -8.856 -8.000 504 H GLY 51 HN GLY 51 5.064 -5.651 -8.904 505 1HA GLY 51 1HA GLY 51 7.207 -5.573 -7.033 506 2HA GLY 51 2HA GLY 51 6.644 -4.230 -7.996 507 QA GLY 51 QA GLY 51 6.926 -4.902 -7.514 508 H ILE 52 HN ILE 52 7.285 -3.675 -5.509 509 HA ILE 52 HA ILE 52 4.793 -2.823 -4.311 510 HB ILE 52 HB ILE 52 4.940 -5.055 -3.355 511 1HG1 ILE 52 2HG1 ILE 52 5.772 -3.211 -1.106 512 2HG1 ILE 52 3HG1 ILE 52 4.230 -2.997 -1.955 513 1HG2 ILE 52 2HG2 ILE 52 7.721 -4.223 -2.391 514 2HG2 ILE 52 3HG2 ILE 52 6.877 -5.668 -1.843 515 3HG2 ILE 52 1HG2 ILE 52 7.332 -5.516 -3.541 516 1HD1 ILE 52 1HD1 ILE 52 5.051 -5.543 -0.527 517 2HD1 ILE 52 2HD1 ILE 52 3.943 -4.303 0.081 518 3HD1 ILE 52 3HD1 ILE 52 3.511 -5.232 -1.365 519 QG1 ILE 52 QG1 ILE 52 5.001 -3.104 -1.530 520 QG2 ILE 52 QG2 ILE 52 7.310 -5.136 -2.591 521 QD1 ILE 52 QD1 ILE 52 4.168 -5.026 -0.603 522 H HIS 53 HN HIS 53 5.050 -1.173 -2.724 523 HA HIS 53 HA HIS 53 7.710 -0.729 -1.628 524 1HB HIS 53 2HB HIS 53 7.510 0.822 -3.666 525 2HB HIS 53 3HB HIS 53 6.184 1.626 -2.839 526 HD1 HIS 53 HD1 HIS 53 9.988 1.089 -2.539 527 HD2 HIS 53 HD2 HIS 53 6.801 3.005 -0.547 528 HE1 HIS 53 HE1 HIS 53 11.029 2.451 -0.619 529 HE2 HIS 53 HE2 HIS 53 9.060 3.571 0.603 530 QB HIS 53 QB HIS 53 6.847 1.224 -3.252 531 H CYS 54 HN CYS 54 7.433 -0.173 0.587 532 HA CYS 54 HA CYS 54 4.779 0.818 1.389 533 1HB CYS 54 2HB CYS 54 4.748 -0.456 3.289 534 2HB CYS 54 3HB CYS 54 5.271 -1.566 2.044 535 QB CYS 54 QB CYS 54 5.010 -1.011 2.667 536 H CYS 55 HN CYS 55 4.725 2.113 3.271 537 HA CYS 55 HA CYS 55 7.079 3.752 3.792 538 1HB CYS 55 2HB CYS 55 5.961 5.801 2.939 539 2HB CYS 55 3HB CYS 55 6.477 4.660 1.709 540 QB CYS 55 QB CYS 55 6.219 5.230 2.324 541 H GLN 56 HN GLN 56 6.728 5.366 5.261 542 HA GLN 56 HA GLN 56 5.019 4.213 7.386 543 1HB GLN 56 2HB GLN 56 7.725 5.560 7.623 544 2HB GLN 56 3HB GLN 56 6.859 4.666 8.874 545 1HG GLN 56 2HG GLN 56 8.091 3.552 6.319 546 2HG GLN 56 3HG GLN 56 8.597 3.248 7.978 547 1HE2 GLN 56 2HE2 GLN 56 5.780 0.998 8.651 548 2HE2 GLN 56 1HE2 GLN 56 6.637 2.328 9.424 549 QB GLN 56 QB GLN 56 7.292 5.113 8.249 550 QG GLN 56 QG GLN 56 8.344 3.400 7.149 551 QE2 GLN 56 QE2 GLN 56 6.209 1.663 9.038 552 H SER 57 HN SER 57 3.842 6.365 5.916 553 HA SER 57 HA SER 57 3.307 8.168 8.165 554 1HB SER 57 2HB SER 57 3.743 10.203 6.573 555 2HB SER 57 3HB SER 57 5.090 9.468 7.458 556 HG SER 57 HG SER 57 4.455 8.506 4.902 557 QB SER 57 QB SER 57 4.417 9.835 7.016 558 H ASP 58 HN ASP 58 1.313 9.251 8.016 559 HA ASP 58 HA ASP 58 -0.662 7.860 6.739 560 1HB ASP 58 2HB ASP 58 -0.706 10.709 7.791 561 2HB ASP 58 3HB ASP 58 -2.137 9.774 7.325 562 QB ASP 58 QB ASP 58 -1.421 10.241 7.558 563 H LYS 59 HN LYS 59 -1.848 8.024 4.922 564 HA LYS 59 HA LYS 59 -2.183 8.320 2.682 565 1HB LYS 59 2HB LYS 59 -1.830 11.214 3.537 566 2HB LYS 59 3HB LYS 59 -2.544 10.716 2.019 567 1HG LYS 59 2HG LYS 59 -4.241 9.360 3.246 568 2HG LYS 59 3HG LYS 59 -3.653 10.018 4.766 569 1HD LYS 59 2HD LYS 59 -4.955 11.482 2.416 570 2HD LYS 59 3HD LYS 59 -5.620 11.266 4.027 571 1HE LYS 59 2HE LYS 59 -3.352 13.090 3.134 572 2HE LYS 59 3HE LYS 59 -4.887 13.533 3.884 573 1HZ LYS 59 1HZ LYS 59 -4.080 12.362 5.901 574 2HZ LYS 59 2HZ LYS 59 -2.613 12.173 5.177 575 3HZ LYS 59 3HZ LYS 59 -3.180 13.676 5.498 576 QB LYS 59 QB LYS 59 -2.187 10.965 2.778 577 QG LYS 59 QG LYS 59 -3.947 9.689 4.006 578 QD LYS 59 QD LYS 59 -5.287 11.374 3.222 579 QE LYS 59 QE LYS 59 -4.119 13.311 3.509 580 QZ LYS 59 QZ LYS 59 -3.291 12.737 5.526 581 H CYS 60 HN CYS 60 0.787 8.037 3.539 582 HA CYS 60 HA CYS 60 2.251 9.306 1.408 583 1HB CYS 60 2HB CYS 60 4.046 7.842 1.997 584 2HB CYS 60 3HB CYS 60 3.238 8.398 3.453 585 QB CYS 60 QB CYS 60 3.642 8.120 2.725 586 H ASN 61 HN ASN 61 0.433 6.290 1.711 587 HA ASN 61 HA ASN 61 1.638 5.109 -0.626 588 1HB ASN 61 2HB ASN 61 0.505 3.174 -0.038 589 2HB ASN 61 3HB ASN 61 1.005 3.886 1.497 590 1HD2 ASN 61 2HD2 ASN 61 -2.790 2.786 1.020 591 2HD2 ASN 61 1HD2 ASN 61 -1.283 2.020 0.511 592 QB ASN 61 QB ASN 61 0.755 3.530 0.730 593 QD2 ASN 61 QD2 ASN 61 -2.036 2.403 0.766 594 OH TYR 62 OH TYR 62 -5.422 11.961 -4.132 595 H TYR 62 HN TYR 62 0.660 7.271 -1.760 596 HA TYR 62 HA TYR 62 -2.080 6.837 -2.830 597 1HB TYR 62 2HB TYR 62 -0.313 9.036 -2.485 598 2HB TYR 62 3HB TYR 62 -0.281 8.743 -4.212 599 HD1 TYR 62 HD2 TYR 62 -3.168 8.055 -4.745 600 HD2 TYR 62 HD1 TYR 62 -1.284 11.168 -2.456 601 HE1 TYR 62 HE2 TYR 62 -5.137 9.519 -5.121 602 HE2 TYR 62 HE1 TYR 62 -3.208 12.656 -2.904 603 HH TYR 62 HH TYR 62 -6.077 11.612 -4.738 604 QB TYR 62 QB TYR 62 -0.297 8.889 -3.348 605 QR TYR 62 QR TYR 62 -3.199 10.349 -3.806 Start of MODEL 2 Raw file had 605 H/Q atoms Start of MODEL 2 1 NH1 ARG 1 NH2 ARG 1 1.434 7.979 10.617 2 NH2 ARG 1 NH1 ARG 1 3.107 6.417 10.175 3 H ARG 1 HN ARG 1 -4.392 3.590 11.773 4 HA ARG 1 HA ARG 1 -3.006 6.137 11.206 5 1HB ARG 1 2HB ARG 1 -1.535 4.081 11.263 6 2HB ARG 1 3HB ARG 1 -2.572 3.340 10.046 7 1HG ARG 1 2HG ARG 1 -0.582 4.059 8.994 8 2HG ARG 1 3HG ARG 1 -1.880 5.058 8.396 9 1HD ARG 1 2HD ARG 1 -0.640 6.852 8.966 10 2HD ARG 1 3HD ARG 1 -0.924 6.492 10.670 11 HE ARG 1 HE ARG 1 1.257 4.917 9.669 12 1HH1 ARG 1 2HH2 ARG 1 0.439 8.235 10.599 13 2HH1 ARG 1 1HH2 ARG 1 2.066 8.742 10.799 14 1HH2 ARG 1 2HH1 ARG 1 3.304 5.431 10.001 15 2HH2 ARG 1 1HH1 ARG 1 3.872 7.082 10.152 16 QB ARG 1 QB ARG 1 -2.054 3.710 10.655 17 QG ARG 1 QG ARG 1 -1.231 4.559 8.695 18 QD ARG 1 QD ARG 1 -0.782 6.672 9.818 19 QH1 ARG 1 QH2 ARG 1 1.252 8.489 10.699 20 QH2 ARG 1 QH1 ARG 1 3.588 6.257 10.076 21 H ILE 2 HN ILE 2 -3.220 6.809 8.808 22 HA ILE 2 HA ILE 2 -5.792 5.864 7.614 23 HB ILE 2 HB ILE 2 -4.531 8.605 7.334 24 1HG1 ILE 2 2HG1 ILE 2 -5.337 8.424 9.635 25 2HG1 ILE 2 3HG1 ILE 2 -6.285 9.556 8.682 26 1HG2 ILE 2 2HG2 ILE 2 -7.221 7.504 6.414 27 2HG2 ILE 2 3HG2 ILE 2 -6.712 9.202 6.299 28 3HG2 ILE 2 1HG2 ILE 2 -5.852 7.950 5.394 29 1HD1 ILE 2 2HD1 ILE 2 -7.158 6.720 9.381 30 2HD1 ILE 2 3HD1 ILE 2 -7.704 8.211 10.158 31 3HD1 ILE 2 1HD1 ILE 2 -8.114 7.909 8.466 32 QG1 ILE 2 QG1 ILE 2 -5.811 8.990 9.159 33 QG2 ILE 2 QG2 ILE 2 -6.595 8.219 6.036 34 QD1 ILE 2 QD1 ILE 2 -7.659 7.613 9.335 35 H CYS 3 HN CYS 3 -5.587 5.100 5.529 36 HA CYS 3 HA CYS 3 -3.042 5.603 4.044 37 1HB CYS 3 2HB CYS 3 -4.301 2.887 4.560 38 2HB CYS 3 3HB CYS 3 -3.052 3.202 3.356 39 QB CYS 3 QB CYS 3 -3.677 3.044 3.958 40 OH TYR 4 OH TYR 4 -4.610 11.579 -0.292 41 H TYR 4 HN TYR 4 -3.247 5.346 1.792 42 HA TYR 4 HA TYR 4 -5.921 5.774 0.652 43 1HB TYR 4 2HB TYR 4 -3.125 5.640 -0.394 44 2HB TYR 4 3HB TYR 4 -4.451 5.542 -1.506 45 HD1 TYR 4 HD2 TYR 4 -6.160 7.519 -1.576 46 HD2 TYR 4 HD1 TYR 4 -2.381 7.730 0.492 47 HE1 TYR 4 HE2 TYR 4 -6.318 9.974 -1.551 48 HE2 TYR 4 HE1 TYR 4 -2.443 10.204 0.253 49 HH TYR 4 HH TYR 4 -5.318 11.974 -0.806 50 QB TYR 4 QB TYR 4 -3.788 5.591 -0.950 51 QR TYR 4 QR TYR 4 -4.326 8.857 -0.596 52 H ASN 5 HN ASN 5 -6.995 4.295 -0.614 53 HA ASN 5 HA ASN 5 -6.028 1.463 -0.741 54 1HB ASN 5 2HB ASN 5 -8.088 0.636 0.216 55 2HB ASN 5 3HB ASN 5 -7.254 1.674 1.371 56 1HD2 ASN 5 2HD2 ASN 5 -9.635 4.400 0.986 57 2HD2 ASN 5 1HD2 ASN 5 -7.952 4.035 1.331 58 QB ASN 5 QB ASN 5 -7.671 1.155 0.794 59 QD2 ASN 5 QD2 ASN 5 -8.793 4.217 1.158 60 H HIS 6 HN HIS 6 -6.280 3.464 -2.836 61 HA HIS 6 HA HIS 6 -8.721 2.637 -4.329 62 1HB HIS 6 2HB HIS 6 -8.087 4.324 -5.997 63 2HB HIS 6 3HB HIS 6 -8.503 4.938 -4.419 64 HD1 HIS 6 HD1 HIS 6 -6.072 5.600 -7.031 65 HD2 HIS 6 HD2 HIS 6 -6.248 5.651 -2.825 66 HE1 HIS 6 HE1 HIS 6 -4.197 7.277 -6.161 67 HE2 HIS 6 HE2 HIS 6 -4.260 7.206 -3.720 68 QB HIS 6 QB HIS 6 -8.295 4.631 -5.208 69 H GLN 7 HN GLN 7 -8.456 2.004 -6.606 70 HA GLN 7 HA GLN 7 -6.046 0.299 -7.055 71 1HB GLN 7 2HB GLN 7 -8.232 -0.832 -7.007 72 2HB GLN 7 3HB GLN 7 -8.828 0.237 -8.284 73 1HG GLN 7 2HG GLN 7 -7.264 -0.774 -9.887 74 2HG GLN 7 3HG GLN 7 -6.485 -1.694 -8.578 75 1HE2 GLN 7 2HE2 GLN 7 -10.339 -2.821 -9.564 76 2HE2 GLN 7 1HE2 GLN 7 -9.960 -1.112 -9.450 77 QB GLN 7 QB GLN 7 -8.530 -0.297 -7.646 78 QG GLN 7 QG GLN 7 -6.875 -1.234 -9.233 79 QE2 GLN 7 QE2 GLN 7 -10.149 -1.967 -9.507 80 H SER 8 HN SER 8 -5.395 0.350 -9.415 81 HA SER 8 HA SER 8 -5.065 2.815 -10.736 82 1HB SER 8 2HB SER 8 -4.029 0.944 -11.770 83 2HB SER 8 3HB SER 8 -5.580 0.065 -11.925 84 HG SER 8 HG SER 8 -4.838 1.098 -13.880 85 QB SER 8 QB SER 8 -4.804 0.505 -11.848 86 H THR 9 HN THR 9 -6.409 4.107 -11.973 87 HA THR 9 HA THR 9 -8.104 4.915 -13.153 88 HB THR 9 HB THR 9 -9.274 2.100 -13.186 89 HG1 THR 9 1HG THR 9 -7.013 2.277 -13.867 90 1HG2 THR 9 1HG2 THR 9 -9.508 4.461 -15.093 91 2HG2 THR 9 2HG2 THR 9 -10.146 2.828 -15.374 92 3HG2 THR 9 3HG2 THR 9 -10.811 3.820 -14.065 93 QG2 THR 9 QG2 THR 9 -10.155 3.703 -14.844 94 H THR 10 HN THR 10 -9.125 2.960 -10.368 95 HA THR 10 HA THR 10 -11.639 4.263 -9.992 96 HB THR 10 HB THR 10 -11.558 3.294 -7.746 97 HG1 THR 10 1HG THR 10 -8.813 3.132 -8.329 98 1HG2 THR 10 2HG2 THR 10 -12.028 1.782 -9.684 99 2HG2 THR 10 3HG2 THR 10 -10.303 1.394 -9.788 100 3HG2 THR 10 1HG2 THR 10 -11.216 0.948 -8.337 101 QG2 THR 10 QG2 THR 10 -11.182 1.374 -9.270 102 NH1 ARG 11 NH2 ARG 11 -12.604 12.576 -5.844 103 NH2 ARG 11 NH1 ARG 11 -13.156 14.095 -7.506 104 H ARG 11 HN ARG 11 -12.218 5.878 -8.453 105 HA ARG 11 HA ARG 11 -10.488 8.135 -8.536 106 1HB ARG 11 2HB ARG 11 -13.084 7.972 -8.431 107 2HB ARG 11 3HB ARG 11 -12.881 7.865 -6.674 108 1HG ARG 11 2HG ARG 11 -11.656 10.063 -6.750 109 2HG ARG 11 3HG ARG 11 -11.875 10.089 -8.512 110 1HD ARG 11 2HD ARG 11 -14.392 9.928 -8.087 111 2HD ARG 11 3HD ARG 11 -14.075 10.273 -6.393 112 HE ARG 11 HE ARG 11 -14.094 12.074 -8.661 113 1HH1 ARG 11 2HH2 ARG 11 -12.603 11.625 -5.505 114 2HH1 ARG 11 1HH2 ARG 11 -12.202 13.297 -5.264 115 1HH2 ARG 11 2HH1 ARG 11 -13.559 14.306 -8.409 116 2HH2 ARG 11 1HH1 ARG 11 -12.760 14.859 -6.976 117 QB ARG 11 QB ARG 11 -12.983 7.919 -7.552 118 QG ARG 11 QG ARG 11 -11.765 10.076 -7.631 119 QD ARG 11 QD ARG 11 -14.233 10.101 -7.240 120 QH1 ARG 11 QH2 ARG 11 -12.403 12.461 -5.385 121 QH2 ARG 11 QH1 ARG 11 -13.159 14.582 -7.693 122 H ALA 12 HN ALA 12 -9.411 9.224 -6.746 123 HA ALA 12 HA ALA 12 -8.035 7.429 -5.034 124 1HB ALA 12 2HB ALA 12 -7.059 9.533 -5.829 125 2HB ALA 12 3HB ALA 12 -8.246 10.459 -4.882 126 3HB ALA 12 1HB ALA 12 -7.035 9.455 -4.054 127 QB ALA 12 QB ALA 12 -7.447 9.816 -4.922 128 H THR 13 HN THR 13 -8.557 6.598 -3.048 129 HA THR 13 HA THR 13 -10.533 7.950 -1.311 130 HB THR 13 HB THR 13 -11.421 5.590 -0.893 131 HG1 THR 13 1HG THR 13 -11.009 4.114 -2.607 132 1HG2 THR 13 3HG2 THR 13 -12.663 7.268 -2.255 133 2HG2 THR 13 1HG2 THR 13 -11.855 6.663 -3.714 134 3HG2 THR 13 2HG2 THR 13 -12.941 5.602 -2.798 135 QG2 THR 13 QG2 THR 13 -12.486 6.511 -2.923 136 H THR 14 HN THR 14 -10.210 7.586 0.875 137 HA THR 14 HA THR 14 -7.753 6.153 1.732 138 HB THR 14 HB THR 14 -7.716 7.912 3.532 139 HG1 THR 14 1HG THR 14 -9.927 8.616 3.115 140 1HG2 THR 14 2HG2 THR 14 -7.441 8.875 0.649 141 2HG2 THR 14 3HG2 THR 14 -6.760 9.694 2.057 142 3HG2 THR 14 1HG2 THR 14 -6.177 8.075 1.619 143 QG2 THR 14 QG2 THR 14 -6.793 8.881 1.442 144 H LYS 15 HN LYS 15 -7.880 5.111 3.742 145 HA LYS 15 HA LYS 15 -10.436 4.991 5.201 146 1HB LYS 15 2HB LYS 15 -9.320 2.720 3.578 147 2HB LYS 15 3HB LYS 15 -9.709 2.332 5.233 148 1HG LYS 15 2HG LYS 15 -11.520 1.719 3.904 149 2HG LYS 15 3HG LYS 15 -12.032 3.035 4.970 150 1HD LYS 15 2HD LYS 15 -12.383 4.510 3.191 151 2HD LYS 15 3HD LYS 15 -11.062 3.818 2.265 152 1HE LYS 15 2HE LYS 15 -13.070 3.353 1.071 153 2HE LYS 15 3HE LYS 15 -12.377 1.844 1.663 154 1HZ LYS 15 2HZ LYS 15 -13.988 1.901 3.464 155 2HZ LYS 15 3HZ LYS 15 -14.636 3.300 2.880 156 3HZ LYS 15 1HZ LYS 15 -14.732 1.915 1.999 157 QB LYS 15 QB LYS 15 -9.514 2.526 4.405 158 QG LYS 15 QG LYS 15 -11.776 2.377 4.437 159 QD LYS 15 QD LYS 15 -11.723 4.164 2.728 160 QE LYS 15 QE LYS 15 -12.723 2.598 1.367 161 QZ LYS 15 QZ LYS 15 -14.452 2.372 2.781 162 H SER 16 HN SER 16 -10.000 3.602 7.201 163 HA SER 16 HA SER 16 -7.584 4.521 8.507 164 1HB SER 16 2HB SER 16 -9.748 4.271 9.694 165 2HB SER 16 3HB SER 16 -9.660 2.509 9.472 166 HG SER 16 HG SER 16 -7.958 2.445 10.860 167 QB SER 16 QB SER 16 -9.704 3.390 9.583 168 H CYS 17 HN CYS 17 -6.099 3.052 9.524 169 HA CYS 17 HA CYS 17 -5.664 0.339 8.427 170 1HB CYS 17 2HB CYS 17 -4.426 1.672 6.868 171 2HB CYS 17 3HB CYS 17 -3.845 2.725 8.155 172 QB CYS 17 QB CYS 17 -4.136 2.199 7.512 173 H GLU 20 HN GLU 20 -4.894 -0.935 10.079 174 HA GLU 20 HA GLU 20 -4.657 0.209 12.718 175 1HB GLU 20 2HB GLU 20 -4.270 -2.175 13.369 176 2HB GLU 20 3HB GLU 20 -5.816 -1.790 12.600 177 1HG GLU 20 2HG GLU 20 -3.597 -2.993 10.938 178 2HG GLU 20 3HG GLU 20 -4.652 -3.985 11.928 179 QB GLU 20 QB GLU 20 -5.043 -1.982 12.985 180 QG GLU 20 QG GLU 20 -4.125 -3.489 11.433 181 H GLU 21 HN GLU 21 -2.374 -1.374 10.424 182 HA GLU 21 HA GLU 21 -0.079 -1.119 12.118 183 1HB GLU 21 2HB GLU 21 -0.375 -1.265 9.099 184 2HB GLU 21 3HB GLU 21 1.194 -1.254 9.938 185 1HG GLU 21 2HG GLU 21 0.439 -3.260 11.234 186 2HG GLU 21 3HG GLU 21 -0.930 -3.402 10.098 187 QB GLU 21 QB GLU 21 0.410 -1.259 9.519 188 QG GLU 21 QG GLU 21 -0.246 -3.331 10.666 189 H ASN 22 HN ASN 22 1.764 0.279 11.684 190 HA ASN 22 HA ASN 22 0.878 3.086 11.455 191 1HB ASN 22 2HB ASN 22 2.274 2.273 13.374 192 2HB ASN 22 3HB ASN 22 3.612 2.023 12.239 193 1HD2 ASN 22 2HD2 ASN 22 4.565 5.402 12.798 194 2HD2 ASN 22 1HD2 ASN 22 5.063 3.730 12.623 195 QB ASN 22 QB ASN 22 2.943 2.148 12.807 196 QD2 ASN 22 QD2 ASN 22 4.814 4.566 12.710 197 H SER 23 HN SER 23 2.050 0.764 9.265 198 HA SER 23 HA SER 23 3.313 2.807 7.511 199 1HB SER 23 2HB SER 23 3.976 0.624 6.271 200 2HB SER 23 3HB SER 23 4.864 1.106 7.715 201 HG SER 23 HG SER 23 3.895 -0.499 8.857 202 QB SER 23 QB SER 23 4.420 0.865 6.993 203 H CYS 24 HN CYS 24 2.910 2.394 5.231 204 HA CYS 24 HA CYS 24 0.314 1.188 4.550 205 1HB CYS 24 2HB CYS 24 1.215 3.826 3.367 206 2HB CYS 24 3HB CYS 24 -0.266 2.934 3.017 207 QB CYS 24 QB CYS 24 0.475 3.380 3.192 208 OH TYR 25 OH TYR 25 -2.198 -4.969 0.009 209 H TYR 25 HN TYR 25 0.352 0.520 2.267 210 HA TYR 25 HA TYR 25 3.012 0.485 1.017 211 1HB TYR 25 2HB TYR 25 2.899 -1.773 0.408 212 2HB TYR 25 3HB TYR 25 2.559 -1.712 2.120 213 HD1 TYR 25 HD2 TYR 25 0.819 -1.848 -1.251 214 HD2 TYR 25 HD1 TYR 25 0.830 -3.083 2.847 215 HE1 TYR 25 HE2 TYR 25 -1.203 -3.163 -1.668 216 HE2 TYR 25 HE1 TYR 25 -1.049 -4.652 2.368 217 HH TYR 25 HH TYR 25 -2.448 -4.988 -0.935 218 QB TYR 25 QB TYR 25 2.729 -1.743 1.264 219 QR TYR 25 QR TYR 25 -0.151 -3.187 0.574 220 H LYS 26 HN LYS 26 3.041 -0.061 -1.184 221 HA LYS 26 HA LYS 26 0.612 0.603 -2.737 222 1HB LYS 26 2HB LYS 26 2.378 2.507 -2.488 223 2HB LYS 26 3HB LYS 26 3.406 1.533 -3.538 224 1HG LYS 26 2HG LYS 26 0.593 2.434 -4.132 225 2HG LYS 26 3HG LYS 26 2.041 3.346 -4.632 226 1HD LYS 26 2HD LYS 26 2.447 0.695 -5.474 227 2HD LYS 26 3HD LYS 26 0.790 0.981 -5.927 228 1HE LYS 26 2HE LYS 26 3.165 2.799 -6.640 229 2HE LYS 26 3HE LYS 26 2.712 1.415 -7.633 230 1HZ LYS 26 2HZ LYS 26 0.608 2.441 -8.026 231 2HZ LYS 26 3HZ LYS 26 1.032 3.770 -7.152 232 3HZ LYS 26 1HZ LYS 26 1.849 3.390 -8.521 233 QB LYS 26 QB LYS 26 2.892 2.020 -3.013 234 QG LYS 26 QG LYS 26 1.317 2.890 -4.382 235 QD LYS 26 QD LYS 26 1.618 0.838 -5.701 236 QE LYS 26 QE LYS 26 2.938 2.107 -7.137 237 QZ LYS 26 QZ LYS 26 1.163 3.201 -7.900 238 H LYS 27 HN LYS 27 0.218 -1.027 -4.159 239 HA LYS 27 HA LYS 27 2.309 -3.098 -4.733 240 1HB LYS 27 2HB LYS 27 -0.611 -3.130 -4.059 241 2HB LYS 27 3HB LYS 27 -0.134 -4.213 -5.352 242 1HG LYS 27 2HG LYS 27 1.443 -4.384 -2.796 243 2HG LYS 27 3HG LYS 27 -0.240 -4.888 -2.780 244 1HD LYS 27 2HD LYS 27 0.964 -6.814 -3.151 245 2HD LYS 27 3HD LYS 27 0.055 -6.469 -4.605 246 1HE LYS 27 2HE LYS 27 2.964 -5.575 -4.287 247 2HE LYS 27 3HE LYS 27 2.585 -7.232 -4.763 248 1HZ LYS 27 1HZ LYS 27 1.517 -4.950 -6.233 249 2HZ LYS 27 2HZ LYS 27 2.995 -5.576 -6.572 250 3HZ LYS 27 3HZ LYS 27 1.624 -6.505 -6.733 251 QB LYS 27 QB LYS 27 -0.372 -3.671 -4.706 252 QG LYS 27 QG LYS 27 0.601 -4.636 -2.788 253 QD LYS 27 QD LYS 27 0.509 -6.642 -3.878 254 QE LYS 27 QE LYS 27 2.774 -6.403 -4.525 255 QZ LYS 27 QZ LYS 27 2.045 -5.677 -6.513 256 OH TYR 28 OH TYR 28 7.782 -1.503 -7.065 257 H TYR 28 HN TYR 28 2.718 -3.421 -7.034 258 HA TYR 28 HA TYR 28 0.607 -2.543 -8.864 259 1HB TYR 28 2HB TYR 28 2.468 -1.526 -10.242 260 2HB TYR 28 3HB TYR 28 1.967 -0.621 -8.833 261 HD1 TYR 28 HD2 TYR 28 3.345 -0.753 -6.698 262 HD2 TYR 28 HD1 TYR 28 4.840 -2.135 -10.483 263 HE1 TYR 28 HE2 TYR 28 5.630 -0.577 -5.827 264 HE2 TYR 28 HE1 TYR 28 7.152 -2.045 -9.575 265 HH TYR 28 HH TYR 28 7.797 -1.377 -6.106 266 QB TYR 28 QB TYR 28 2.217 -1.073 -9.538 267 QR TYR 28 QR TYR 28 5.242 -1.378 -8.146 268 CH2 TRP 29 CH2 TRP 29 -3.197 -6.025 -7.952 269 H TRP 29 HN TRP 29 0.715 -3.598 -10.943 270 HA TRP 29 HA TRP 29 2.895 -5.364 -11.593 271 1HB TRP 29 2HB TRP 29 1.496 -7.326 -11.909 272 2HB TRP 29 3HB TRP 29 1.647 -6.925 -10.208 273 HD1 TRP 29 HD1 TRP 29 -0.883 -7.330 -12.998 274 HE1 TRP 29 HE1 TRP 29 -3.246 -7.256 -12.063 275 HE3 TRP 29 HE3 TRP 29 0.193 -5.771 -8.259 276 HZ2 TRP 29 HZ2 TRP 29 -4.539 -6.628 -9.535 277 HZ3 TRP 29 HZ3 TRP 29 -1.617 -5.486 -6.594 278 HH2 TRP 29 HH2 TRP 29 -3.978 -5.915 -7.213 279 QB TRP 29 QB TRP 29 1.571 -7.126 -11.059 280 NH1 ARG 30 NH2 ARG 30 7.342 -4.911 -15.311 281 NH2 ARG 30 NH1 ARG 30 8.254 -6.847 -16.207 282 H ARG 30 HN ARG 30 2.648 -6.102 -13.869 283 HA ARG 30 HA ARG 30 1.545 -4.042 -15.525 284 1HB ARG 30 2HB ARG 30 2.630 -6.738 -16.385 285 2HB ARG 30 3HB ARG 30 2.479 -5.246 -17.287 286 1HG ARG 30 2HG ARG 30 4.691 -5.126 -16.832 287 2HG ARG 30 3HG ARG 30 4.064 -4.222 -15.453 288 1HD ARG 30 2HD ARG 30 5.054 -5.725 -14.013 289 2HD ARG 30 3HD ARG 30 4.155 -7.049 -14.736 290 HE ARG 30 HE ARG 30 5.931 -7.756 -15.879 291 1HH1 ARG 30 2HH2 ARG 30 6.530 -4.420 -14.969 292 2HH1 ARG 30 1HH2 ARG 30 8.219 -4.417 -15.383 293 1HH2 ARG 30 2HH1 ARG 30 8.159 -7.809 -16.502 294 2HH2 ARG 30 1HH1 ARG 30 9.154 -6.404 -16.316 295 QB ARG 30 QB ARG 30 2.554 -5.992 -16.836 296 QG ARG 30 QG ARG 30 4.377 -4.674 -16.142 297 QD ARG 30 QD ARG 30 4.605 -6.387 -14.375 298 QH1 ARG 30 QH2 ARG 30 7.374 -4.419 -15.176 299 QH2 ARG 30 QH1 ARG 30 8.656 -7.106 -16.409 300 H ASP 31 HN ASP 31 -0.302 -4.222 -16.931 301 HA ASP 31 HA ASP 31 -2.091 -6.562 -16.438 302 1HB ASP 31 2HB ASP 31 -3.824 -5.315 -17.659 303 2HB ASP 31 3HB ASP 31 -3.297 -4.603 -16.147 304 QB ASP 31 QB ASP 31 -3.560 -4.959 -16.903 305 H HIS 32 HN HIS 32 -1.517 -4.641 -19.302 306 HA HIS 32 HA HIS 32 -0.519 -6.822 -20.998 307 1HB HIS 32 2HB HIS 32 -3.281 -5.525 -21.300 308 2HB HIS 32 3HB HIS 32 -2.470 -6.429 -22.577 309 HD1 HIS 32 HD1 HIS 32 -4.267 -7.022 -19.252 310 HD2 HIS 32 HD2 HIS 32 -2.302 -9.114 -22.342 311 HE1 HIS 32 HE1 HIS 32 -4.790 -9.521 -18.900 312 HE2 HIS 32 HE2 HIS 32 -3.590 -10.775 -20.794 313 QB HIS 32 QB HIS 32 -2.875 -5.977 -21.938 314 NH1 ARG 33 NH2 ARG 33 -4.258 1.926 -25.903 315 NH2 ARG 33 NH1 ARG 33 -3.094 3.802 -25.191 316 H ARG 33 HN ARG 33 -1.962 -3.534 -20.691 317 HA ARG 33 HA ARG 33 -0.039 -2.463 -22.714 318 1HB ARG 33 2HB ARG 33 -2.209 -2.268 -23.622 319 2HB ARG 33 3HB ARG 33 -2.940 -1.815 -22.068 320 1HG ARG 33 2HG ARG 33 -1.919 0.316 -22.058 321 2HG ARG 33 3HG ARG 33 -0.822 -0.112 -23.395 322 1HD ARG 33 2HD ARG 33 -2.711 -0.237 -24.946 323 2HD ARG 33 3HD ARG 33 -3.860 0.091 -23.621 324 HE ARG 33 HE ARG 33 -2.006 2.187 -23.602 325 1HH1 ARG 33 2HH2 ARG 33 -4.448 0.939 -25.819 326 2HH1 ARG 33 1HH2 ARG 33 -4.769 2.462 -26.589 327 1HH2 ARG 33 2HH1 ARG 33 -2.411 4.234 -24.585 328 2HH2 ARG 33 1HH1 ARG 33 -3.578 4.386 -25.858 329 QB ARG 33 QB ARG 33 -2.575 -2.041 -22.845 330 QG ARG 33 QG ARG 33 -1.370 0.102 -22.727 331 QD ARG 33 QD ARG 33 -3.286 -0.073 -24.283 332 QH1 ARG 33 QH2 ARG 33 -4.608 1.701 -26.204 333 QH2 ARG 33 QH1 ARG 33 -2.994 4.310 -25.221 334 H GLY 34 HN GLY 34 -1.796 -2.016 -19.608 335 1HA GLY 34 1HA GLY 34 0.048 0.227 -18.842 336 2HA GLY 34 2HA GLY 34 -1.619 -0.037 -18.300 337 QA GLY 34 QA GLY 34 -0.786 0.095 -18.571 338 H THR 35 HN THR 35 -0.600 0.110 -16.165 339 HA THR 35 HA THR 35 0.012 -2.593 -15.216 340 HB THR 35 HB THR 35 1.952 -0.871 -15.419 341 HG1 THR 35 1HG THR 35 1.334 -2.500 -13.242 342 1HG2 THR 35 3HG2 THR 35 0.751 1.022 -14.251 343 2HG2 THR 35 1HG2 THR 35 0.983 0.092 -12.741 344 3HG2 THR 35 2HG2 THR 35 2.383 0.640 -13.666 345 QG2 THR 35 QG2 THR 35 1.372 0.585 -13.553 346 H ILE 36 HN ILE 36 -1.190 -3.199 -13.477 347 HA ILE 36 HA ILE 36 -3.339 -1.379 -12.579 348 HB ILE 36 HB ILE 36 -2.731 -4.291 -12.008 349 1HG1 ILE 36 2HG1 ILE 36 -5.098 -2.835 -13.296 350 2HG1 ILE 36 3HG1 ILE 36 -3.797 -3.635 -14.178 351 1HG2 ILE 36 2HG2 ILE 36 -4.886 -2.513 -10.768 352 2HG2 ILE 36 3HG2 ILE 36 -4.817 -4.276 -10.617 353 3HG2 ILE 36 1HG2 ILE 36 -3.551 -3.304 -9.900 354 1HD1 ILE 36 1HD1 ILE 36 -4.462 -5.813 -13.103 355 2HD1 ILE 36 2HD1 ILE 36 -5.884 -4.980 -12.418 356 3HD1 ILE 36 3HD1 ILE 36 -5.685 -5.096 -14.170 357 QG1 ILE 36 QG1 ILE 36 -4.448 -3.235 -13.737 358 QG2 ILE 36 QG2 ILE 36 -4.418 -3.364 -10.428 359 QD1 ILE 36 QD1 ILE 36 -5.344 -5.296 -13.230 360 H ILE 37 HN ILE 37 -3.361 -0.484 -10.603 361 HA ILE 37 HA ILE 37 -0.968 -0.646 -8.851 362 HB ILE 37 HB ILE 37 -2.819 1.686 -9.569 363 1HG1 ILE 37 2HG1 ILE 37 -0.577 2.886 -9.772 364 2HG1 ILE 37 3HG1 ILE 37 0.208 1.295 -9.679 365 1HG2 ILE 37 3HG2 ILE 37 -0.937 1.396 -7.214 366 2HG2 ILE 37 1HG2 ILE 37 -1.611 2.941 -7.795 367 3HG2 ILE 37 2HG2 ILE 37 -2.680 1.700 -7.152 368 1HD1 ILE 37 2HD1 ILE 37 -1.819 2.154 -11.785 369 2HD1 ILE 37 3HD1 ILE 37 -0.052 2.194 -11.972 370 3HD1 ILE 37 1HD1 ILE 37 -0.875 0.651 -11.754 371 QG1 ILE 37 QG1 ILE 37 -0.184 2.091 -9.725 372 QG2 ILE 37 QG2 ILE 37 -1.743 2.012 -7.387 373 QD1 ILE 37 QD1 ILE 37 -0.915 1.666 -11.837 374 H GLU 38 HN GLU 38 -1.497 -1.198 -6.794 375 HA GLU 38 HA GLU 38 -4.312 -1.217 -5.845 376 1HB GLU 38 2HB GLU 38 -3.775 -3.548 -6.293 377 2HB GLU 38 3HB GLU 38 -2.175 -3.363 -5.606 378 1HG GLU 38 2HG GLU 38 -3.477 -2.871 -3.338 379 2HG GLU 38 3HG GLU 38 -4.810 -3.634 -4.177 380 QB GLU 38 QB GLU 38 -2.975 -3.455 -5.950 381 QG GLU 38 QG GLU 38 -4.143 -3.252 -3.758 382 NH1 ARG 39 NH2 ARG 39 -0.804 3.898 -5.599 383 NH2 ARG 39 NH1 ARG 39 -1.897 5.810 -6.276 384 H ARG 39 HN ARG 39 -4.365 -0.677 -3.567 385 HA ARG 39 HA ARG 39 -1.878 0.467 -2.395 386 1HB ARG 39 2HB ARG 39 -4.695 1.655 -2.487 387 2HB ARG 39 3HB ARG 39 -3.322 2.278 -1.566 388 1HG ARG 39 2HG ARG 39 -2.712 1.963 -4.444 389 2HG ARG 39 3HG ARG 39 -4.156 2.944 -4.136 390 1HD ARG 39 2HD ARG 39 -2.930 4.197 -2.404 391 2HD ARG 39 3HD ARG 39 -1.433 3.490 -2.944 392 HE ARG 39 HE ARG 39 -2.832 5.651 -3.966 393 1HH1 ARG 39 2HH2 ARG 39 -1.024 3.019 -5.152 394 2HH1 ARG 39 1HH2 ARG 39 0.075 4.316 -5.325 395 1HH2 ARG 39 2HH1 ARG 39 -2.065 6.672 -5.742 396 2HH2 ARG 39 1HH1 ARG 39 -1.334 5.890 -7.105 397 QB ARG 39 QB ARG 39 -4.008 1.967 -2.026 398 QG ARG 39 QG ARG 39 -3.434 2.454 -4.290 399 QD ARG 39 QD ARG 39 -2.181 3.843 -2.674 400 QH1 ARG 39 QH2 ARG 39 -0.474 3.668 -5.239 401 QH2 ARG 39 QH1 ARG 39 -1.699 6.281 -6.424 402 H GLY 40 HN GLY 40 -1.697 -0.136 -0.197 403 1HA GLY 40 1HA GLY 40 -4.031 -0.990 1.257 404 2HA GLY 40 2HA GLY 40 -2.995 -2.354 0.832 405 QA GLY 40 QA GLY 40 -3.513 -1.672 1.044 406 H CYS 41 HN CYS 41 -2.950 -2.234 3.334 407 HA CYS 41 HA CYS 41 -1.567 0.154 4.442 408 1HB CYS 41 2HB CYS 41 -3.470 0.219 5.435 409 2HB CYS 41 3HB CYS 41 -3.916 -1.477 5.142 410 QB CYS 41 QB CYS 41 -3.693 -0.629 5.288 411 H GLY 42 HN GLY 42 -0.318 -0.245 6.456 412 1HA GLY 42 1HA GLY 42 1.272 -1.534 7.705 413 2HA GLY 42 2HA GLY 42 0.550 -2.947 6.944 414 QA GLY 42 QA GLY 42 0.911 -2.241 7.324 415 H CYS 43 HN CYS 43 2.653 -3.889 6.695 416 HA CYS 43 HA CYS 43 3.603 -3.310 3.970 417 1HB CYS 43 2HB CYS 43 5.033 -1.834 5.369 418 2HB CYS 43 3HB CYS 43 5.607 -3.267 6.233 419 QB CYS 43 QB CYS 43 5.320 -2.551 5.801 420 HA PRO 44 HA PRO 44 3.782 -7.831 4.960 421 1HB PRO 44 2HB PRO 44 2.003 -8.798 3.168 422 2HB PRO 44 3HB PRO 44 1.449 -7.941 4.637 423 1HG PRO 44 2HG PRO 44 1.787 -6.797 1.849 424 2HG PRO 44 3HG PRO 44 0.364 -6.663 2.923 425 1HD PRO 44 2HD PRO 44 2.370 -4.759 2.723 426 2HD PRO 44 3HD PRO 44 1.413 -5.004 4.226 427 QB PRO 44 QB PRO 44 1.726 -8.370 3.902 428 QG PRO 44 QG PRO 44 1.075 -6.730 2.386 429 QD PRO 44 QD PRO 44 1.892 -4.881 3.475 430 H LYS 45 HN LYS 45 4.377 -9.654 3.395 431 HA LYS 45 HA LYS 45 6.217 -8.676 1.281 432 1HB LYS 45 2HB LYS 45 7.147 -10.220 2.838 433 2HB LYS 45 3HB LYS 45 5.833 -11.393 2.565 434 1HG LYS 45 2HG LYS 45 6.628 -11.851 0.336 435 2HG LYS 45 3HG LYS 45 7.811 -10.508 0.442 436 1HD LYS 45 2HD LYS 45 9.059 -11.709 2.166 437 2HD LYS 45 3HD LYS 45 7.794 -12.931 2.299 438 1HE LYS 45 2HE LYS 45 9.764 -13.731 1.002 439 2HE LYS 45 3HE LYS 45 8.244 -13.819 0.102 440 1HZ LYS 45 1HZ LYS 45 10.195 -11.636 -0.194 441 2HZ LYS 45 2HZ LYS 45 10.092 -12.937 -1.190 442 3HZ LYS 45 3HZ LYS 45 8.835 -11.884 -1.102 443 QB LYS 45 QB LYS 45 6.490 -10.807 2.702 444 QG LYS 45 QG LYS 45 7.220 -11.180 0.389 445 QD LYS 45 QD LYS 45 8.426 -12.320 2.232 446 QE LYS 45 QE LYS 45 9.004 -13.775 0.552 447 QZ LYS 45 QZ LYS 45 9.707 -12.152 -0.829 448 H VAL 46 HN VAL 46 6.192 -9.712 -0.730 449 HA VAL 46 HA VAL 46 3.601 -10.824 -1.693 450 HB VAL 46 HB VAL 46 3.710 -9.363 -3.665 451 1HG1 VAL 46 2HG1 VAL 46 3.689 -7.895 -0.987 452 2HG1 VAL 46 3HG1 VAL 46 3.144 -7.213 -2.501 453 3HG1 VAL 46 1HG1 VAL 46 2.321 -8.634 -1.827 454 1HG2 VAL 46 2HG2 VAL 46 6.188 -8.960 -3.685 455 2HG2 VAL 46 3HG2 VAL 46 5.219 -7.495 -3.837 456 3HG2 VAL 46 1HG2 VAL 46 5.991 -7.885 -2.282 457 QG1 VAL 46 QG1 VAL 46 3.052 -7.914 -1.772 458 QG2 VAL 46 QG2 VAL 46 5.800 -8.113 -3.268 459 QQG VAL 46 QQG VAL 46 4.426 -8.014 -2.520 460 H LYS 47 HN LYS 47 3.893 -11.510 -4.048 461 HA LYS 47 HA LYS 47 5.970 -13.529 -4.154 462 1HB LYS 47 2HB LYS 47 3.493 -12.803 -5.639 463 2HB LYS 47 3HB LYS 47 4.651 -13.567 -6.623 464 1HG LYS 47 2HG LYS 47 4.794 -15.476 -4.993 465 2HG LYS 47 3HG LYS 47 3.563 -14.680 -3.988 466 1HD LYS 47 2HD LYS 47 1.937 -14.797 -5.825 467 2HD LYS 47 3HD LYS 47 3.176 -15.440 -6.922 468 1HE LYS 47 2HE LYS 47 3.414 -17.448 -5.384 469 2HE LYS 47 3HE LYS 47 2.054 -16.828 -4.429 470 1HZ LYS 47 2HZ LYS 47 0.687 -17.027 -6.414 471 2HZ LYS 47 3HZ LYS 47 1.961 -17.629 -7.267 472 3HZ LYS 47 1HZ LYS 47 1.352 -18.469 -5.995 473 QB LYS 47 QB LYS 47 4.072 -13.185 -6.131 474 QG LYS 47 QG LYS 47 4.178 -15.078 -4.491 475 QD LYS 47 QD LYS 47 2.556 -15.118 -6.373 476 QE LYS 47 QE LYS 47 2.734 -17.138 -4.907 477 QZ LYS 47 QZ LYS 47 1.333 -17.709 -6.559 478 HA PRO 48 HA PRO 48 8.838 -11.409 -6.691 479 1HB PRO 48 2HB PRO 48 9.889 -13.306 -8.337 480 2HB PRO 48 3HB PRO 48 10.032 -13.405 -6.559 481 1HG PRO 48 2HG PRO 48 8.081 -14.849 -8.350 482 2HG PRO 48 3HG PRO 48 9.006 -15.503 -6.969 483 1HD PRO 48 2HD PRO 48 6.374 -14.621 -6.891 484 2HD PRO 48 3HD PRO 48 7.390 -14.680 -5.443 485 QB PRO 48 QB PRO 48 9.960 -13.355 -7.448 486 QG PRO 48 QG PRO 48 8.543 -15.176 -7.659 487 QD PRO 48 QD PRO 48 6.882 -14.650 -6.167 488 H GLY 49 HN GLY 49 9.408 -10.668 -8.920 489 1HA GLY 49 1HA GLY 49 8.863 -9.744 -10.924 490 2HA GLY 49 2HA GLY 49 7.812 -11.138 -11.182 491 QA GLY 49 QA GLY 49 8.337 -10.441 -11.053 492 H VAL 50 HN VAL 50 7.014 -9.369 -8.351 493 HA VAL 50 HA VAL 50 4.876 -7.752 -9.655 494 HB VAL 50 HB VAL 50 4.645 -9.897 -7.496 495 1HG1 VAL 50 3HG1 VAL 50 2.684 -7.708 -8.267 496 2HG1 VAL 50 1HG1 VAL 50 2.237 -9.167 -7.351 497 3HG1 VAL 50 2HG1 VAL 50 3.407 -8.038 -6.671 498 1HG2 VAL 50 1HG2 VAL 50 3.229 -9.469 -10.169 499 2HG2 VAL 50 2HG2 VAL 50 4.433 -10.728 -9.813 500 3HG2 VAL 50 3HG2 VAL 50 2.863 -10.759 -9.001 501 QG1 VAL 50 QG1 VAL 50 2.776 -8.304 -7.429 502 QG2 VAL 50 QG2 VAL 50 3.508 -10.319 -9.661 503 QQG VAL 50 QQG VAL 50 3.142 -9.312 -8.545 504 H GLY 51 HN GLY 51 5.683 -5.736 -9.131 505 1HA GLY 51 1HA GLY 51 7.435 -5.428 -6.942 506 2HA GLY 51 2HA GLY 51 6.859 -4.128 -7.958 507 QA GLY 51 QA GLY 51 7.147 -4.778 -7.450 508 H ILE 52 HN ILE 52 7.315 -3.680 -5.415 509 HA ILE 52 HA ILE 52 4.731 -3.072 -4.169 510 HB ILE 52 HB ILE 52 5.583 -5.301 -3.251 511 1HG1 ILE 52 2HG1 ILE 52 5.381 -3.040 -1.213 512 2HG1 ILE 52 3HG1 ILE 52 4.029 -3.873 -1.996 513 1HG2 ILE 52 2HG2 ILE 52 8.031 -4.662 -3.365 514 2HG2 ILE 52 3HG2 ILE 52 7.768 -3.655 -1.925 515 3HG2 ILE 52 1HG2 ILE 52 7.512 -5.408 -1.854 516 1HD1 ILE 52 1HD1 ILE 52 4.955 -6.023 -0.991 517 2HD1 ILE 52 2HD1 ILE 52 6.076 -5.013 -0.056 518 3HD1 ILE 52 3HD1 ILE 52 4.330 -4.832 0.165 519 QG1 ILE 52 QG1 ILE 52 4.705 -3.456 -1.605 520 QG2 ILE 52 QG2 ILE 52 7.770 -4.575 -2.381 521 QD1 ILE 52 QD1 ILE 52 5.121 -5.289 -0.294 522 H HIS 53 HN HIS 53 5.040 -1.354 -2.497 523 HA HIS 53 HA HIS 53 7.721 -0.402 -1.871 524 1HB HIS 53 2HB HIS 53 7.272 1.085 -3.690 525 2HB HIS 53 3HB HIS 53 5.586 1.265 -3.240 526 HD1 HIS 53 HD1 HIS 53 9.034 2.548 -2.034 527 HD2 HIS 53 HD2 HIS 53 4.878 3.088 -1.472 528 HE1 HIS 53 HE1 HIS 53 8.750 4.640 -0.566 529 HE2 HIS 53 HE2 HIS 53 6.225 4.973 -0.261 530 QB HIS 53 QB HIS 53 6.429 1.175 -3.465 531 H CYS 54 HN CYS 54 7.624 0.671 0.269 532 HA CYS 54 HA CYS 54 4.990 0.691 1.623 533 1HB CYS 54 2HB CYS 54 7.562 -0.471 2.724 534 2HB CYS 54 3HB CYS 54 6.125 -0.085 3.672 535 QB CYS 54 QB CYS 54 6.844 -0.278 3.198 536 H CYS 55 HN CYS 55 4.909 2.258 3.435 537 HA CYS 55 HA CYS 55 7.142 4.027 3.863 538 1HB CYS 55 2HB CYS 55 5.872 6.055 3.189 539 2HB CYS 55 3HB CYS 55 6.415 5.051 1.859 540 QB CYS 55 QB CYS 55 6.144 5.553 2.524 541 H GLN 56 HN GLN 56 6.361 5.817 5.384 542 HA GLN 56 HA GLN 56 4.639 4.531 7.464 543 1HB GLN 56 2HB GLN 56 6.442 4.879 9.074 544 2HB GLN 56 3HB GLN 56 6.910 3.782 7.772 545 1HG GLN 56 2HG GLN 56 8.218 5.541 6.674 546 2HG GLN 56 3HG GLN 56 7.677 6.733 7.871 547 1HE2 GLN 56 2HE2 GLN 56 10.937 5.912 9.163 548 2HE2 GLN 56 1HE2 GLN 56 10.151 6.955 7.992 549 QB GLN 56 QB GLN 56 6.676 4.330 8.423 550 QG GLN 56 QG GLN 56 7.948 6.137 7.273 551 QE2 GLN 56 QE2 GLN 56 10.544 6.433 8.578 552 H SER 57 HN SER 57 3.596 6.637 6.029 553 HA SER 57 HA SER 57 3.209 8.461 8.282 554 1HB SER 57 2HB SER 57 3.948 9.677 5.599 555 2HB SER 57 3HB SER 57 3.625 10.499 7.132 556 HG SER 57 HG SER 57 5.481 8.960 7.842 557 QB SER 57 QB SER 57 3.786 10.088 6.366 558 H ASP 58 HN ASP 58 1.269 9.733 8.110 559 HA ASP 58 HA ASP 58 -0.867 8.133 7.278 560 1HB ASP 58 2HB ASP 58 -0.983 11.117 7.835 561 2HB ASP 58 3HB ASP 58 -2.237 9.901 8.154 562 QB ASP 58 QB ASP 58 -1.610 10.509 7.994 563 H LYS 59 HN LYS 59 -1.831 7.839 5.395 564 HA LYS 59 HA LYS 59 -2.332 8.027 3.185 565 1HB LYS 59 2HB LYS 59 -2.096 11.020 3.686 566 2HB LYS 59 3HB LYS 59 -2.939 10.261 2.360 567 1HG LYS 59 2HG LYS 59 -4.403 9.068 3.975 568 2HG LYS 59 3HG LYS 59 -3.756 10.077 5.277 569 1HD LYS 59 2HD LYS 59 -5.077 11.156 2.722 570 2HD LYS 59 3HD LYS 59 -5.953 10.797 4.207 571 1HE LYS 59 2HE LYS 59 -5.593 13.129 4.167 572 2HE LYS 59 3HE LYS 59 -4.574 12.467 5.453 573 1HZ LYS 59 1HZ LYS 59 -3.548 13.027 2.748 574 2HZ LYS 59 2HZ LYS 59 -3.569 14.166 3.935 575 3HZ LYS 59 3HZ LYS 59 -2.685 12.799 4.132 576 QB LYS 59 QB LYS 59 -2.518 10.641 3.023 577 QG LYS 59 QG LYS 59 -4.080 9.572 4.626 578 QD LYS 59 QD LYS 59 -5.515 10.977 3.465 579 QE LYS 59 QE LYS 59 -5.084 12.798 4.810 580 QZ LYS 59 QZ LYS 59 -3.267 13.331 3.605 581 H CYS 60 HN CYS 60 0.621 7.890 3.992 582 HA CYS 60 HA CYS 60 2.082 9.442 2.109 583 1HB CYS 60 2HB CYS 60 3.946 7.993 2.581 584 2HB CYS 60 3HB CYS 60 3.062 8.363 4.049 585 QB CYS 60 QB CYS 60 3.504 8.178 3.315 586 H ASN 61 HN ASN 61 0.454 6.308 1.749 587 HA ASN 61 HA ASN 61 1.793 5.682 -0.749 588 1HB ASN 61 2HB ASN 61 0.554 3.646 -0.693 589 2HB ASN 61 3HB ASN 61 1.190 3.948 0.924 590 1HD2 ASN 61 2HD2 ASN 61 -2.554 2.885 0.809 591 2HD2 ASN 61 1HD2 ASN 61 -1.055 2.207 0.173 592 QB ASN 61 QB ASN 61 0.872 3.797 0.116 593 QD2 ASN 61 QD2 ASN 61 -1.804 2.546 0.491 594 OH TYR 62 OH TYR 62 -4.342 13.782 -2.655 595 H TYR 62 HN TYR 62 0.768 8.093 -1.380 596 HA TYR 62 HA TYR 62 -1.958 8.314 -2.029 597 1HB TYR 62 2HB TYR 62 0.384 9.889 -2.282 598 2HB TYR 62 3HB TYR 62 -0.127 9.503 -3.927 599 HD1 TYR 62 HD1 TYR 62 -2.653 9.988 -4.519 600 HD2 TYR 62 HD2 TYR 62 -0.535 11.774 -1.211 601 HE1 TYR 62 HE1 TYR 62 -4.335 11.803 -4.418 602 HE2 TYR 62 HE2 TYR 62 -2.212 13.589 -1.125 603 HH TYR 62 HH TYR 62 -4.941 13.811 -3.403 604 QB TYR 62 QB TYR 62 0.129 9.696 -3.104 605 QR TYR 62 QR TYR 62 -2.434 11.789 -2.818 Start of MODEL 3 Raw file had 605 H/Q atoms Start of MODEL 3 1 NH1 ARG 1 NH2 ARG 1 1.700 7.841 10.274 2 NH2 ARG 1 NH1 ARG 1 3.106 5.988 10.064 3 H ARG 1 HN ARG 1 -3.351 4.991 13.018 4 HA ARG 1 HA ARG 1 -2.708 6.530 11.228 5 1HB ARG 1 2HB ARG 1 -1.479 4.342 11.456 6 2HB ARG 1 3HB ARG 1 -2.677 3.570 10.422 7 1HG ARG 1 2HG ARG 1 -0.692 3.978 9.175 8 2HG ARG 1 3HG ARG 1 -1.972 4.963 8.501 9 1HD ARG 1 2HD ARG 1 -0.797 6.849 8.879 10 2HD ARG 1 3HD ARG 1 -0.627 6.492 10.607 11 HE ARG 1 HE ARG 1 1.186 4.887 9.095 12 1HH1 ARG 1 2HH2 ARG 1 0.785 8.278 10.082 13 2HH1 ARG 1 1HH2 ARG 1 2.405 8.388 10.740 14 1HH2 ARG 1 2HH1 ARG 1 3.146 4.998 9.822 15 2HH2 ARG 1 1HH1 ARG 1 3.988 6.497 10.092 16 QB ARG 1 QB ARG 1 -2.078 3.956 10.939 17 QG ARG 1 QG ARG 1 -1.332 4.470 8.838 18 QD ARG 1 QD ARG 1 -0.712 6.670 9.743 19 QH1 ARG 1 QH2 ARG 1 1.595 8.333 10.411 20 QH2 ARG 1 QH1 ARG 1 3.567 5.747 9.957 21 H ILE 2 HN ILE 2 -3.042 7.184 8.929 22 HA ILE 2 HA ILE 2 -5.560 6.122 7.741 23 HB ILE 2 HB ILE 2 -4.653 9.017 7.739 24 1HG1 ILE 2 2HG1 ILE 2 -6.690 7.508 9.436 25 2HG1 ILE 2 3HG1 ILE 2 -5.371 8.565 9.971 26 1HG2 ILE 2 2HG2 ILE 2 -5.953 8.250 5.719 27 2HG2 ILE 2 3HG2 ILE 2 -7.270 7.760 6.806 28 3HG2 ILE 2 1HG2 ILE 2 -6.802 9.463 6.657 29 1HD1 ILE 2 3HD1 ILE 2 -6.609 10.486 8.862 30 2HD1 ILE 2 1HD1 ILE 2 -7.984 9.363 8.659 31 3HD1 ILE 2 2HD1 ILE 2 -7.400 9.760 10.281 32 QG1 ILE 2 QG1 ILE 2 -6.030 8.037 9.704 33 QG2 ILE 2 QG2 ILE 2 -6.675 8.491 6.394 34 QD1 ILE 2 QD1 ILE 2 -7.331 9.869 9.267 35 H CYS 3 HN CYS 3 -5.453 5.706 5.626 36 HA CYS 3 HA CYS 3 -3.012 6.480 4.091 37 1HB CYS 3 2HB CYS 3 -4.322 3.784 3.808 38 2HB CYS 3 3HB CYS 3 -2.726 4.282 3.240 39 QB CYS 3 QB CYS 3 -3.524 4.033 3.524 40 OH TYR 4 OH TYR 4 -3.276 11.360 -0.197 41 H TYR 4 HN TYR 4 -3.758 5.374 1.738 42 HA TYR 4 HA TYR 4 -6.624 6.016 1.255 43 1HB TYR 4 2HB TYR 4 -4.531 5.400 -0.838 44 2HB TYR 4 3HB TYR 4 -6.177 6.014 -1.017 45 HD1 TYR 4 HD2 TYR 4 -6.707 8.375 -0.394 46 HD2 TYR 4 HD1 TYR 4 -2.671 6.859 -0.226 47 HE1 TYR 4 HE2 TYR 4 -5.839 10.692 -0.296 48 HE2 TYR 4 HE1 TYR 4 -1.809 9.182 -0.197 49 HH TYR 4 HH TYR 4 -3.958 12.035 -0.172 50 QB TYR 4 QB TYR 4 -5.354 5.707 -0.928 51 QR TYR 4 QR TYR 4 -4.256 8.777 -0.278 52 H ASN 5 HN ASN 5 -7.802 4.355 0.123 53 HA ASN 5 HA ASN 5 -6.618 1.576 0.208 54 1HB ASN 5 2HB ASN 5 -8.875 0.728 0.174 55 2HB ASN 5 3HB ASN 5 -8.689 1.809 1.560 56 1HD2 ASN 5 2HD2 ASN 5 -10.970 4.253 0.305 57 2HD2 ASN 5 1HD2 ASN 5 -9.693 3.940 1.476 58 QB ASN 5 QB ASN 5 -8.782 1.268 0.867 59 QD2 ASN 5 QD2 ASN 5 -10.331 4.097 0.891 60 H HIS 6 HN HIS 6 -6.952 4.181 -1.784 61 HA HIS 6 HA HIS 6 -8.571 3.214 -3.877 62 1HB HIS 6 2HB HIS 6 -7.748 5.098 -5.168 63 2HB HIS 6 3HB HIS 6 -8.204 5.538 -3.526 64 HD1 HIS 6 HD1 HIS 6 -6.478 7.441 -2.836 65 HD2 HIS 6 HD2 HIS 6 -4.737 4.347 -5.109 66 HE1 HIS 6 HE1 HIS 6 -3.998 7.995 -3.068 67 HE2 HIS 6 HE2 HIS 6 -2.935 6.094 -4.435 68 QB HIS 6 QB HIS 6 -7.976 5.318 -4.347 69 H GLN 7 HN GLN 7 -7.834 2.858 -6.185 70 HA GLN 7 HA GLN 7 -5.500 1.022 -6.320 71 1HB GLN 7 2HB GLN 7 -8.361 0.378 -5.729 72 2HB GLN 7 3HB GLN 7 -7.698 -0.581 -7.045 73 1HG GLN 7 2HG GLN 7 -5.975 -1.451 -5.706 74 2HG GLN 7 3HG GLN 7 -6.216 -0.272 -4.409 75 1HE2 GLN 7 2HE2 GLN 7 -8.955 -1.977 -2.929 76 2HE2 GLN 7 1HE2 GLN 7 -8.115 -0.432 -3.033 77 QB GLN 7 QB GLN 7 -8.030 -0.102 -6.387 78 QG GLN 7 QG GLN 7 -6.096 -0.862 -5.058 79 QE2 GLN 7 QE2 GLN 7 -8.535 -1.204 -2.981 80 H SER 8 HN SER 8 -5.981 -0.322 -8.520 81 HA SER 8 HA SER 8 -6.349 1.434 -10.745 82 1HB SER 8 2HB SER 8 -6.380 -1.537 -10.381 83 2HB SER 8 3HB SER 8 -6.948 -0.844 -11.910 84 HG SER 8 HG SER 8 -5.036 0.122 -12.273 85 QB SER 8 QB SER 8 -6.664 -1.191 -11.145 86 H THR 9 HN THR 9 -8.349 2.461 -9.560 87 HA THR 9 HA THR 9 -10.825 1.597 -10.773 88 HB THR 9 HB THR 9 -10.674 -0.055 -8.934 89 HG1 THR 9 1HG THR 9 -12.700 0.626 -9.620 90 1HG2 THR 9 3HG2 THR 9 -9.507 1.714 -7.342 91 2HG2 THR 9 1HG2 THR 9 -11.174 2.103 -6.893 92 3HG2 THR 9 2HG2 THR 9 -10.577 0.453 -6.686 93 QG2 THR 9 QG2 THR 9 -10.419 1.423 -6.974 94 H THR 10 HN THR 10 -9.632 3.866 -11.236 95 HA THR 10 HA THR 10 -10.481 5.999 -11.604 96 HB THR 10 HB THR 10 -12.731 6.098 -11.822 97 HG1 THR 10 1HG THR 10 -12.940 4.609 -9.426 98 1HG2 THR 10 2HG2 THR 10 -11.825 3.830 -12.729 99 2HG2 THR 10 3HG2 THR 10 -12.707 3.103 -11.362 100 3HG2 THR 10 1HG2 THR 10 -13.578 4.043 -12.563 101 QG2 THR 10 QG2 THR 10 -12.703 3.659 -12.218 102 NH1 ARG 11 NH2 ARG 11 -12.575 13.441 -7.508 103 NH2 ARG 11 NH1 ARG 11 -13.552 13.741 -9.588 104 H ARG 11 HN ARG 11 -12.543 7.218 -9.911 105 HA ARG 11 HA ARG 11 -10.902 8.967 -8.439 106 1HB ARG 11 2HB ARG 11 -13.238 9.479 -9.093 107 2HB ARG 11 3HB ARG 11 -13.826 8.347 -7.856 108 1HG ARG 11 2HG ARG 11 -12.846 9.672 -6.065 109 2HG ARG 11 3HG ARG 11 -11.989 10.705 -7.219 110 1HD ARG 11 2HD ARG 11 -15.020 10.457 -7.051 111 2HD ARG 11 3HD ARG 11 -14.124 11.684 -6.177 112 HE ARG 11 HE ARG 11 -14.742 11.589 -9.031 113 1HH1 ARG 11 2HH2 ARG 11 -12.465 12.879 -6.677 114 2HH1 ARG 11 1HH2 ARG 11 -12.042 14.293 -7.593 115 1HH2 ARG 11 2HH1 ARG 11 -14.188 13.441 -10.314 116 2HH2 ARG 11 1HH1 ARG 11 -13.027 14.590 -9.737 117 QB ARG 11 QB ARG 11 -13.532 8.913 -8.474 118 QG ARG 11 QG ARG 11 -12.417 10.188 -6.642 119 QD ARG 11 QD ARG 11 -14.572 11.071 -6.614 120 QH1 ARG 11 QH2 ARG 11 -12.253 13.586 -7.135 121 QH2 ARG 11 QH1 ARG 11 -13.607 14.016 -10.026 122 H ALA 12 HN ALA 12 -10.198 9.069 -6.372 123 HA ALA 12 HA ALA 12 -9.889 6.450 -5.083 124 1HB ALA 12 3HB ALA 12 -8.511 9.159 -4.906 125 2HB ALA 12 1HB ALA 12 -8.202 7.878 -3.733 126 3HB ALA 12 2HB ALA 12 -7.849 7.607 -5.462 127 QB ALA 12 QB ALA 12 -8.187 8.215 -4.700 128 H THR 13 HN THR 13 -9.952 6.261 -2.742 129 HA THR 13 HA THR 13 -11.558 8.252 -1.290 130 HB THR 13 HB THR 13 -12.972 6.586 -0.332 131 HG1 THR 13 1HG THR 13 -11.600 4.605 -1.833 132 1HG2 THR 13 3HG2 THR 13 -13.611 7.279 -2.686 133 2HG2 THR 13 1HG2 THR 13 -12.797 5.821 -3.295 134 3HG2 THR 13 2HG2 THR 13 -14.190 5.659 -2.221 135 QG2 THR 13 QG2 THR 13 -13.532 6.253 -2.734 136 H THR 14 HN THR 14 -11.120 8.112 1.032 137 HA THR 14 HA THR 14 -8.487 6.933 1.710 138 HB THR 14 HB THR 14 -8.827 8.557 3.700 139 HG1 THR 14 1HG THR 14 -11.027 8.981 3.461 140 1HG2 THR 14 2HG2 THR 14 -8.635 9.660 0.861 141 2HG2 THR 14 3HG2 THR 14 -8.166 10.524 2.341 142 3HG2 THR 14 1HG2 THR 14 -7.294 9.054 1.868 143 QG2 THR 14 QG2 THR 14 -8.032 9.746 1.690 144 H LYS 15 HN LYS 15 -8.360 6.048 3.985 145 HA LYS 15 HA LYS 15 -10.740 5.533 5.394 146 1HB LYS 15 2HB LYS 15 -10.076 3.492 3.449 147 2HB LYS 15 3HB LYS 15 -9.799 2.820 5.044 148 1HG LYS 15 2HG LYS 15 -12.075 3.486 5.739 149 2HG LYS 15 3HG LYS 15 -12.352 4.229 4.147 150 1HD LYS 15 2HD LYS 15 -11.931 2.004 3.068 151 2HD LYS 15 3HD LYS 15 -11.848 1.258 4.668 152 1HE LYS 15 2HE LYS 15 -14.241 2.773 3.478 153 2HE LYS 15 3HE LYS 15 -14.085 1.015 3.578 154 1HZ LYS 15 1HZ LYS 15 -13.987 1.266 6.003 155 2HZ LYS 15 2HZ LYS 15 -14.293 2.879 5.847 156 3HZ LYS 15 3HZ LYS 15 -15.410 1.780 5.362 157 QB LYS 15 QB LYS 15 -9.938 3.156 4.247 158 QG LYS 15 QG LYS 15 -12.214 3.858 4.943 159 QD LYS 15 QD LYS 15 -11.890 1.631 3.868 160 QE LYS 15 QE LYS 15 -14.163 1.894 3.528 161 QZ LYS 15 QZ LYS 15 -14.563 1.975 5.737 162 H SER 16 HN SER 16 -10.144 3.913 7.233 163 HA SER 16 HA SER 16 -7.750 5.144 8.466 164 1HB SER 16 2HB SER 16 -9.955 5.207 9.647 165 2HB SER 16 3HB SER 16 -9.935 3.428 9.726 166 HG SER 16 HG SER 16 -9.074 4.344 11.624 167 QB SER 16 QB SER 16 -9.945 4.317 9.687 168 H CYS 17 HN CYS 17 -6.430 3.683 9.852 169 HA CYS 17 HA CYS 17 -6.131 0.866 9.042 170 1HB CYS 17 2HB CYS 17 -4.952 1.852 7.239 171 2HB CYS 17 3HB CYS 17 -4.302 3.127 8.270 172 QB CYS 17 QB CYS 17 -4.627 2.490 7.755 173 H GLU 20 HN GLU 20 -4.981 -0.274 10.585 174 HA GLU 20 HA GLU 20 -4.520 1.118 13.149 175 1HB GLU 20 2HB GLU 20 -4.695 -1.031 14.137 176 2HB GLU 20 3HB GLU 20 -5.990 -0.899 12.943 177 1HG GLU 20 2HG GLU 20 -4.515 -2.219 11.325 178 2HG GLU 20 3HG GLU 20 -3.385 -2.453 12.674 179 QB GLU 20 QB GLU 20 -5.343 -0.965 13.540 180 QG GLU 20 QG GLU 20 -3.950 -2.336 11.999 181 H GLU 21 HN GLU 21 -2.808 -0.829 10.686 182 HA GLU 21 HA GLU 21 -0.351 -1.021 12.112 183 1HB GLU 21 2HB GLU 21 -0.859 -1.159 9.108 184 2HB GLU 21 3HB GLU 21 0.639 -1.598 9.931 185 1HG GLU 21 2HG GLU 21 -0.682 -3.241 11.333 186 2HG GLU 21 3HG GLU 21 -2.047 -2.987 10.224 187 QB GLU 21 QB GLU 21 -0.110 -1.378 9.519 188 QG GLU 21 QG GLU 21 -1.365 -3.114 10.778 189 H ASN 22 HN ASN 22 1.696 -0.031 11.455 190 HA ASN 22 HA ASN 22 1.426 2.868 11.552 191 1HB ASN 22 2HB ASN 22 3.841 2.861 11.769 192 2HB ASN 22 3HB ASN 22 3.152 1.632 12.841 193 1HD2 ASN 22 2HD2 ASN 22 5.780 0.499 9.974 194 2HD2 ASN 22 1HD2 ASN 22 5.506 2.185 10.377 195 QB ASN 22 QB ASN 22 3.497 2.247 12.305 196 QD2 ASN 22 QD2 ASN 22 5.643 1.342 10.175 197 H SER 23 HN SER 23 2.164 0.404 9.078 198 HA SER 23 HA SER 23 3.145 2.485 7.225 199 1HB SER 23 2HB SER 23 3.624 0.081 6.032 200 2HB SER 23 3HB SER 23 4.756 0.894 7.126 201 HG SER 23 HG SER 23 4.390 -1.264 7.803 202 QB SER 23 QB SER 23 4.190 0.488 6.579 203 H CYS 24 HN CYS 24 2.581 2.308 4.996 204 HA CYS 24 HA CYS 24 0.255 0.624 4.393 205 1HB CYS 24 2HB CYS 24 0.199 3.347 3.172 206 2HB CYS 24 3HB CYS 24 -1.123 2.227 3.502 207 QB CYS 24 QB CYS 24 -0.462 2.787 3.337 208 OH TYR 25 OH TYR 25 -2.261 -4.843 -0.446 209 H TYR 25 HN TYR 25 0.176 0.067 2.107 210 HA TYR 25 HA TYR 25 2.933 0.299 0.963 211 1HB TYR 25 2HB TYR 25 3.045 -1.987 0.666 212 2HB TYR 25 3HB TYR 25 2.371 -1.807 2.274 213 HD1 TYR 25 HD2 TYR 25 1.692 -2.756 -1.234 214 HD2 TYR 25 HD1 TYR 25 0.041 -2.529 2.742 215 HE1 TYR 25 HE2 TYR 25 -0.294 -4.023 -1.990 216 HE2 TYR 25 HE1 TYR 25 -1.857 -3.953 2.022 217 HH TYR 25 HH TYR 25 -2.161 -5.222 -1.339 218 QB TYR 25 QB TYR 25 2.708 -1.897 1.470 219 QR TYR 25 QR TYR 25 -0.104 -3.315 0.385 220 H LYS 26 HN LYS 26 3.146 -0.286 -1.281 221 HA LYS 26 HA LYS 26 0.683 -0.132 -2.875 222 1HB LYS 26 2HB LYS 26 1.457 2.192 -2.669 223 2HB LYS 26 3HB LYS 26 3.102 1.736 -3.130 224 1HG LYS 26 2HG LYS 26 2.487 1.287 -5.375 225 2HG LYS 26 3HG LYS 26 0.758 1.199 -4.984 226 1HD LYS 26 2HD LYS 26 0.766 3.617 -4.414 227 2HD LYS 26 3HD LYS 26 2.476 3.722 -4.818 228 1HE LYS 26 2HE LYS 26 2.086 3.268 -7.132 229 2HE LYS 26 3HE LYS 26 0.434 2.698 -6.850 230 1HZ LYS 26 1HZ LYS 26 1.213 5.462 -6.233 231 2HZ LYS 26 2HZ LYS 26 0.607 5.038 -7.728 232 3HZ LYS 26 3HZ LYS 26 -0.238 4.925 -6.286 233 QB LYS 26 QB LYS 26 2.279 1.964 -2.899 234 QG LYS 26 QG LYS 26 1.622 1.243 -5.179 235 QD LYS 26 QD LYS 26 1.621 3.669 -4.616 236 QE LYS 26 QE LYS 26 1.260 2.983 -6.991 237 QZ LYS 26 QZ LYS 26 0.528 5.142 -6.749 238 H LYS 27 HN LYS 27 0.667 -1.423 -4.611 239 HA LYS 27 HA LYS 27 3.161 -2.866 -5.292 240 1HB LYS 27 2HB LYS 27 1.992 -4.062 -3.473 241 2HB LYS 27 3HB LYS 27 0.508 -4.078 -4.427 242 1HG LYS 27 2HG LYS 27 1.807 -5.394 -6.222 243 2HG LYS 27 3HG LYS 27 3.170 -5.392 -5.090 244 1HD LYS 27 2HD LYS 27 2.193 -7.451 -4.608 245 2HD LYS 27 3HD LYS 27 1.417 -6.400 -3.398 246 1HE LYS 27 2HE LYS 27 -0.431 -6.084 -5.218 247 2HE LYS 27 3HE LYS 27 0.282 -7.485 -6.024 248 1HZ LYS 27 2HZ LYS 27 -0.218 -8.734 -3.932 249 2HZ LYS 27 3HZ LYS 27 -0.874 -7.304 -3.316 250 3HZ LYS 27 1HZ LYS 27 -1.569 -7.955 -4.562 251 QB LYS 27 QB LYS 27 1.250 -4.070 -3.950 252 QG LYS 27 QG LYS 27 2.488 -5.393 -5.656 253 QD LYS 27 QD LYS 27 1.805 -6.925 -4.003 254 QE LYS 27 QE LYS 27 -0.075 -6.784 -5.621 255 QZ LYS 27 QZ LYS 27 -0.887 -7.998 -3.937 256 OH TYR 28 OH TYR 28 7.876 -0.694 -6.954 257 H TYR 28 HN TYR 28 3.275 -3.366 -7.425 258 HA TYR 28 HA TYR 28 1.042 -2.642 -9.218 259 1HB TYR 28 2HB TYR 28 2.743 -1.133 -10.348 260 2HB TYR 28 3HB TYR 28 2.012 -0.547 -8.865 261 HD1 TYR 28 HD2 TYR 28 3.339 -0.391 -6.767 262 HD2 TYR 28 HD1 TYR 28 5.147 -1.737 -10.434 263 HE1 TYR 28 HE2 TYR 28 5.575 -0.120 -5.753 264 HE2 TYR 28 HE1 TYR 28 7.398 -1.439 -9.424 265 HH TYR 28 HH TYR 28 7.871 -0.477 -6.018 266 QB TYR 28 QB TYR 28 2.378 -0.840 -9.606 267 QR TYR 28 QR TYR 28 5.365 -0.922 -8.094 268 CH2 TRP 29 CH2 TRP 29 -2.233 -6.494 -8.682 269 H TRP 29 HN TRP 29 1.174 -3.727 -11.149 270 HA TRP 29 HA TRP 29 3.701 -4.812 -12.105 271 1HB TRP 29 2HB TRP 29 2.862 -7.048 -12.377 272 2HB TRP 29 3HB TRP 29 2.852 -6.626 -10.671 273 HD1 TRP 29 HD1 TRP 29 0.628 -7.832 -13.434 274 HE1 TRP 29 HE1 TRP 29 -1.750 -8.175 -12.608 275 HE3 TRP 29 HE3 TRP 29 1.049 -5.586 -8.853 276 HZ2 TRP 29 HZ2 TRP 29 -3.302 -7.573 -10.221 277 HZ3 TRP 29 HZ3 TRP 29 -0.909 -5.390 -7.381 278 HH2 TRP 29 HH2 TRP 29 -3.081 -6.437 -8.014 279 QB TRP 29 QB TRP 29 2.857 -6.837 -11.524 280 NH1 ARG 30 NH2 ARG 30 6.199 -2.030 -13.224 281 NH2 ARG 30 NH1 ARG 30 6.847 -0.214 -14.514 282 H ARG 30 HN ARG 30 3.286 -5.727 -14.382 283 HA ARG 30 HA ARG 30 1.388 -3.943 -15.776 284 1HB ARG 30 2HB ARG 30 3.920 -5.385 -16.585 285 2HB ARG 30 3HB ARG 30 2.778 -4.740 -17.733 286 1HG ARG 30 2HG ARG 30 4.467 -3.087 -17.467 287 2HG ARG 30 3HG ARG 30 2.984 -2.462 -16.730 288 1HD ARG 30 2HD ARG 30 3.813 -2.885 -14.504 289 2HD ARG 30 3HD ARG 30 5.182 -3.846 -15.140 290 HE ARG 30 HE ARG 30 5.295 -1.228 -16.221 291 1HH1 ARG 30 2HH2 ARG 30 5.656 -2.875 -13.128 292 2HH1 ARG 30 1HH2 ARG 30 6.791 -1.745 -12.459 293 1HH2 ARG 30 2HH1 ARG 30 6.803 0.310 -15.376 294 2HH2 ARG 30 1HH1 ARG 30 7.451 0.126 -13.781 295 QB ARG 30 QB ARG 30 3.349 -5.063 -17.159 296 QG ARG 30 QG ARG 30 3.726 -2.775 -17.098 297 QD ARG 30 QD ARG 30 4.498 -3.366 -14.822 298 QH1 ARG 30 QH2 ARG 30 6.224 -2.310 -12.794 299 QH2 ARG 30 QH1 ARG 30 7.127 0.218 -14.579 300 H ASP 31 HN ASP 31 0.125 -4.788 -17.370 301 HA ASP 31 HA ASP 31 -0.661 -7.676 -17.029 302 1HB ASP 31 2HB ASP 31 -2.432 -6.301 -16.303 303 2HB ASP 31 3HB ASP 31 -2.211 -5.129 -17.606 304 QB ASP 31 QB ASP 31 -2.322 -5.715 -16.954 305 H HIS 32 HN HIS 32 -1.393 -5.323 -19.536 306 HA HIS 32 HA HIS 32 -0.042 -7.011 -21.619 307 1HB HIS 32 2HB HIS 32 -2.873 -5.882 -21.720 308 2HB HIS 32 3HB HIS 32 -2.037 -6.741 -23.023 309 HD1 HIS 32 HD1 HIS 32 -0.904 -8.951 -20.689 310 HD2 HIS 32 HD2 HIS 32 -4.820 -7.616 -21.344 311 HE1 HIS 32 HE1 HIS 32 -2.438 -10.765 -19.775 312 HE2 HIS 32 HE2 HIS 32 -4.818 -9.906 -20.108 313 QB HIS 32 QB HIS 32 -2.455 -6.311 -22.371 314 NH1 ARG 33 NH2 ARG 33 -2.642 -4.787 -26.816 315 NH2 ARG 33 NH1 ARG 33 -1.174 -5.051 -28.592 316 H ARG 33 HN ARG 33 -1.848 -3.912 -21.235 317 HA ARG 33 HA ARG 33 0.544 -2.470 -22.249 318 1HB ARG 33 2HB ARG 33 -2.272 -2.097 -23.366 319 2HB ARG 33 3HB ARG 33 -0.865 -1.076 -23.712 320 1HG ARG 33 2HG ARG 33 0.331 -3.092 -24.616 321 2HG ARG 33 3HG ARG 33 -1.176 -4.013 -24.444 322 1HD ARG 33 2HD ARG 33 -2.313 -2.281 -25.930 323 2HD ARG 33 3HD ARG 33 -0.757 -1.486 -26.102 324 HE ARG 33 HE ARG 33 0.008 -3.091 -27.536 325 1HH1 ARG 33 2HH2 ARG 33 -2.886 -4.306 -25.963 326 2HH1 ARG 33 1HH2 ARG 33 -3.222 -5.552 -27.129 327 1HH2 ARG 33 2HH1 ARG 33 -0.361 -4.751 -29.110 328 2HH2 ARG 33 1HH1 ARG 33 -1.693 -5.846 -28.936 329 QB ARG 33 QB ARG 33 -1.569 -1.587 -23.539 330 QG ARG 33 QG ARG 33 -0.422 -3.552 -24.530 331 QD ARG 33 QD ARG 33 -1.535 -1.884 -26.016 332 QH1 ARG 33 QH2 ARG 33 -3.054 -4.929 -26.546 333 QH2 ARG 33 QH1 ARG 33 -1.027 -5.298 -29.023 334 H GLY 34 HN GLY 34 -0.567 -2.865 -19.560 335 1HA GLY 34 1HA GLY 34 -0.704 -0.125 -18.739 336 2HA GLY 34 2HA GLY 34 -2.295 -0.924 -18.637 337 QA GLY 34 QA GLY 34 -1.499 -0.524 -18.688 338 H THR 35 HN THR 35 -1.233 -0.107 -16.317 339 HA THR 35 HA THR 35 0.018 -2.462 -15.057 340 HB THR 35 HB THR 35 1.313 -0.315 -15.141 341 HG1 THR 35 1HG THR 35 1.261 -2.056 -13.361 342 1HG2 THR 35 2HG2 THR 35 -0.573 1.283 -14.756 343 2HG2 THR 35 3HG2 THR 35 -0.720 0.674 -13.097 344 3HG2 THR 35 1HG2 THR 35 0.758 1.497 -13.605 345 QG2 THR 35 QG2 THR 35 -0.179 1.151 -13.819 346 H ILE 36 HN ILE 36 -0.816 -3.247 -13.148 347 HA ILE 36 HA ILE 36 -3.568 -2.309 -12.441 348 HB ILE 36 HB ILE 36 -2.250 -4.981 -11.930 349 1HG1 ILE 36 2HG1 ILE 36 -2.648 -4.779 -14.309 350 2HG1 ILE 36 3HG1 ILE 36 -3.814 -5.887 -13.598 351 1HG2 ILE 36 1HG2 ILE 36 -5.016 -3.857 -11.327 352 2HG2 ILE 36 2HG2 ILE 36 -4.682 -5.600 -11.371 353 3HG2 ILE 36 3HG2 ILE 36 -3.850 -4.565 -10.202 354 1HD1 ILE 36 2HD1 ILE 36 -5.513 -4.006 -13.588 355 2HD1 ILE 36 3HD1 ILE 36 -4.333 -3.002 -14.460 356 3HD1 ILE 36 1HD1 ILE 36 -4.952 -4.480 -15.200 357 QG1 ILE 36 QG1 ILE 36 -3.231 -5.333 -13.954 358 QG2 ILE 36 QG2 ILE 36 -4.516 -4.674 -10.966 359 QD1 ILE 36 QD1 ILE 36 -4.933 -3.829 -14.416 360 H ILE 37 HN ILE 37 -3.712 -1.204 -10.600 361 HA ILE 37 HA ILE 37 -1.360 -1.070 -8.803 362 HB ILE 37 HB ILE 37 -3.730 0.816 -9.346 363 1HG1 ILE 37 2HG1 ILE 37 -2.226 0.837 -11.214 364 2HG1 ILE 37 3HG1 ILE 37 -2.009 2.310 -10.278 365 1HG2 ILE 37 2HG2 ILE 37 -1.416 0.924 -7.365 366 2HG2 ILE 37 3HG2 ILE 37 -2.229 2.399 -7.938 367 3HG2 ILE 37 1HG2 ILE 37 -3.144 1.163 -7.066 368 1HD1 ILE 37 3HD1 ILE 37 0.017 1.150 -9.168 369 2HD1 ILE 37 1HD1 ILE 37 -0.150 -0.097 -10.428 370 3HD1 ILE 37 2HD1 ILE 37 0.181 1.578 -10.878 371 QG1 ILE 37 QG1 ILE 37 -2.117 1.573 -10.746 372 QG2 ILE 37 QG2 ILE 37 -2.263 1.495 -7.456 373 QD1 ILE 37 QD1 ILE 37 0.016 0.877 -10.158 374 H GLU 38 HN GLU 38 -1.495 -2.181 -6.991 375 HA GLU 38 HA GLU 38 -4.153 -2.641 -5.732 376 1HB GLU 38 2HB GLU 38 -2.787 -4.640 -6.250 377 2HB GLU 38 3HB GLU 38 -1.541 -4.014 -5.156 378 1HG GLU 38 2HG GLU 38 -3.326 -4.051 -3.306 379 2HG GLU 38 3HG GLU 38 -4.416 -4.809 -4.487 380 QB GLU 38 QB GLU 38 -2.164 -4.327 -5.703 381 QG GLU 38 QG GLU 38 -3.871 -4.430 -3.897 382 NH1 ARG 39 NH1 ARG 39 -1.225 1.360 -3.068 383 NH2 ARG 39 NH2 ARG 39 -1.829 3.040 -4.544 384 H ARG 39 HN ARG 39 -4.298 -2.220 -3.474 385 HA ARG 39 HA ARG 39 -2.150 -0.775 -2.151 386 1HB ARG 39 2HB ARG 39 -3.674 0.949 -3.286 387 2HB ARG 39 3HB ARG 39 -5.009 0.342 -2.331 388 1HG ARG 39 2HG ARG 39 -4.319 1.199 -0.371 389 2HG ARG 39 3HG ARG 39 -2.609 1.063 -0.757 390 1HD ARG 39 2HD ARG 39 -4.450 3.089 -2.091 391 2HD ARG 39 3HD ARG 39 -3.540 3.423 -0.617 392 HE ARG 39 HE ARG 39 -1.816 4.021 -1.993 393 1HH1 ARG 39 2HH1 ARG 39 -0.951 1.126 -2.115 394 2HH1 ARG 39 1HH1 ARG 39 -1.189 0.625 -3.778 395 1HH2 ARG 39 2HH2 ARG 39 -1.856 4.061 -4.634 396 2HH2 ARG 39 1HH2 ARG 39 -1.606 2.471 -5.341 397 QB ARG 39 QB ARG 39 -4.341 0.645 -2.809 398 QG ARG 39 QG ARG 39 -3.464 1.131 -0.564 399 QD ARG 39 QD ARG 39 -3.995 3.256 -1.354 400 QH1 ARG 39 QH1 ARG 39 -1.070 0.876 -2.947 401 QH2 ARG 39 QH2 ARG 39 -1.731 3.266 -4.988 402 H GLY 40 HN GLY 40 -2.238 -0.924 0.094 403 1HA GLY 40 1HA GLY 40 -4.693 -1.161 1.372 404 2HA GLY 40 2HA GLY 40 -3.869 -2.733 1.505 405 QA GLY 40 QA GLY 40 -4.281 -1.947 1.438 406 H CYS 41 HN CYS 41 -4.003 -1.902 3.814 407 HA CYS 41 HA CYS 41 -1.833 -0.027 4.581 408 1HB CYS 41 2HB CYS 41 -3.407 0.839 5.781 409 2HB CYS 41 3HB CYS 41 -4.556 -0.468 5.543 410 QB CYS 41 QB CYS 41 -3.981 0.185 5.662 411 H GLY 42 HN GLY 42 -0.509 -0.651 6.375 412 1HA GLY 42 1HA GLY 42 0.607 -2.299 7.670 413 2HA GLY 42 2HA GLY 42 -0.082 -3.588 6.655 414 QA GLY 42 QA GLY 42 0.263 -2.943 7.163 415 H CYS 43 HN CYS 43 2.138 -4.315 6.460 416 HA CYS 43 HA CYS 43 3.201 -3.346 3.895 417 1HB CYS 43 2HB CYS 43 4.508 -2.001 5.448 418 2HB CYS 43 3HB CYS 43 4.968 -3.457 6.350 419 QB CYS 43 QB CYS 43 4.738 -2.729 5.899 420 HA PRO 44 HA PRO 44 3.249 -7.926 4.444 421 1HB PRO 44 2HB PRO 44 1.800 -8.515 2.137 422 2HB PRO 44 3HB PRO 44 1.110 -8.345 3.771 423 1HG PRO 44 2HG PRO 44 0.946 -6.452 1.481 424 2HG PRO 44 3HG PRO 44 -0.129 -6.623 2.894 425 1HD PRO 44 2HD PRO 44 1.937 -4.684 2.483 426 2HD PRO 44 3HD PRO 44 0.972 -4.937 3.969 427 QB PRO 44 QB PRO 44 1.455 -8.430 2.954 428 QG PRO 44 QG PRO 44 0.408 -6.538 2.188 429 QD PRO 44 QD PRO 44 1.454 -4.811 3.226 430 H LYS 45 HN LYS 45 4.390 -9.424 3.065 431 HA LYS 45 HA LYS 45 6.230 -8.174 1.117 432 1HB LYS 45 2HB LYS 45 7.232 -9.717 2.636 433 2HB LYS 45 3HB LYS 45 6.017 -10.969 2.275 434 1HG LYS 45 2HG LYS 45 6.842 -11.263 0.072 435 2HG LYS 45 3HG LYS 45 7.950 -9.851 0.223 436 1HD LYS 45 2HD LYS 45 9.407 -11.047 1.642 437 2HD LYS 45 3HD LYS 45 8.180 -12.249 2.059 438 1HE LYS 45 2HE LYS 45 9.951 -13.057 0.422 439 2HE LYS 45 3HE LYS 45 8.271 -13.317 -0.063 440 1HZ LYS 45 2HZ LYS 45 9.820 -11.005 -1.000 441 2HZ LYS 45 3HZ LYS 45 9.758 -12.429 -1.812 442 3HZ LYS 45 1HZ LYS 45 8.378 -11.559 -1.600 443 QB LYS 45 QB LYS 45 6.624 -10.343 2.456 444 QG LYS 45 QG LYS 45 7.396 -10.557 0.148 445 QD LYS 45 QD LYS 45 8.794 -11.648 1.851 446 QE LYS 45 QE LYS 45 9.111 -13.187 0.180 447 QZ LYS 45 QZ LYS 45 9.319 -11.664 -1.471 448 H VAL 46 HN VAL 46 6.432 -9.189 -0.955 449 HA VAL 46 HA VAL 46 3.898 -10.242 -2.124 450 HB VAL 46 HB VAL 46 4.238 -8.861 -4.064 451 1HG1 VAL 46 1HG1 VAL 46 3.031 -7.869 -2.122 452 2HG1 VAL 46 2HG1 VAL 46 4.545 -7.154 -1.541 453 3HG1 VAL 46 3HG1 VAL 46 3.875 -6.636 -3.085 454 1HG2 VAL 46 3HG2 VAL 46 6.719 -8.802 -4.138 455 2HG2 VAL 46 1HG2 VAL 46 6.021 -7.191 -4.232 456 3HG2 VAL 46 2HG2 VAL 46 6.737 -7.755 -2.706 457 QG1 VAL 46 QG1 VAL 46 3.817 -7.219 -2.249 458 QG2 VAL 46 QG2 VAL 46 6.492 -7.916 -3.692 459 QQG VAL 46 QQG VAL 46 5.155 -7.568 -2.971 460 H LYS 47 HN LYS 47 4.286 -11.260 -4.255 461 HA LYS 47 HA LYS 47 6.534 -13.112 -4.126 462 1HB LYS 47 2HB LYS 47 4.200 -12.850 -6.035 463 2HB LYS 47 3HB LYS 47 5.407 -14.077 -6.213 464 1HG LYS 47 2HG LYS 47 4.999 -14.909 -3.926 465 2HG LYS 47 3HG LYS 47 3.656 -13.754 -3.756 466 1HD LYS 47 2HD LYS 47 2.467 -14.849 -5.640 467 2HD LYS 47 3HD LYS 47 3.871 -15.869 -5.959 468 1HE LYS 47 2HE LYS 47 2.256 -17.205 -4.771 469 2HE LYS 47 3HE LYS 47 3.656 -16.940 -3.726 470 1HZ LYS 47 3HZ LYS 47 1.139 -15.407 -3.584 471 2HZ LYS 47 1HZ LYS 47 1.536 -16.656 -2.594 472 3HZ LYS 47 2HZ LYS 47 2.417 -15.271 -2.554 473 QB LYS 47 QB LYS 47 4.803 -13.463 -6.124 474 QG LYS 47 QG LYS 47 4.328 -14.331 -3.841 475 QD LYS 47 QD LYS 47 3.169 -15.359 -5.800 476 QE LYS 47 QE LYS 47 2.956 -17.072 -4.249 477 QZ LYS 47 QZ LYS 47 1.697 -15.778 -2.911 478 HA PRO 48 HA PRO 48 8.991 -10.766 -6.934 479 1HB PRO 48 2HB PRO 48 10.348 -12.753 -8.347 480 2HB PRO 48 3HB PRO 48 10.716 -12.220 -6.686 481 1HG PRO 48 2HG PRO 48 9.391 -14.728 -7.571 482 2HG PRO 48 3HG PRO 48 10.258 -14.377 -6.052 483 1HD PRO 48 2HD PRO 48 7.430 -14.419 -6.521 484 2HD PRO 48 3HD PRO 48 8.252 -13.965 -5.012 485 QB PRO 48 QB PRO 48 10.532 -12.487 -7.517 486 QG PRO 48 QG PRO 48 9.825 -14.553 -6.812 487 QD PRO 48 QD PRO 48 7.841 -14.192 -5.766 488 H GLY 49 HN GLY 49 9.417 -10.305 -9.280 489 1HA GLY 49 1HA GLY 49 8.644 -9.845 -11.358 490 2HA GLY 49 2HA GLY 49 7.522 -11.194 -11.203 491 QA GLY 49 QA GLY 49 8.083 -10.520 -11.280 492 H VAL 50 HN VAL 50 7.194 -9.225 -8.455 493 HA VAL 50 HA VAL 50 5.328 -7.271 -9.672 494 HB VAL 50 HB VAL 50 4.735 -9.140 -7.332 495 1HG1 VAL 50 2HG1 VAL 50 3.286 -6.673 -8.359 496 2HG1 VAL 50 3HG1 VAL 50 2.521 -7.904 -7.329 497 3HG1 VAL 50 1HG1 VAL 50 3.908 -6.984 -6.727 498 1HG2 VAL 50 3HG2 VAL 50 3.506 -8.808 -10.102 499 2HG2 VAL 50 1HG2 VAL 50 4.323 -10.242 -9.453 500 3HG2 VAL 50 2HG2 VAL 50 2.763 -9.745 -8.793 501 QG1 VAL 50 QG1 VAL 50 3.238 -7.187 -7.472 502 QG2 VAL 50 QG2 VAL 50 3.531 -9.598 -9.449 503 QQG VAL 50 QQG VAL 50 3.385 -8.393 -8.460 504 H GLY 51 HN GLY 51 6.181 -5.335 -9.163 505 1HA GLY 51 1HA GLY 51 8.135 -5.064 -7.120 506 2HA GLY 51 2HA GLY 51 7.493 -3.750 -8.095 507 QA GLY 51 QA GLY 51 7.814 -4.407 -7.608 508 H ILE 52 HN ILE 52 7.888 -3.131 -5.577 509 HA ILE 52 HA ILE 52 5.273 -2.704 -4.449 510 HB ILE 52 HB ILE 52 5.694 -5.009 -3.758 511 1HG1 ILE 52 2HG1 ILE 52 4.615 -3.162 -2.230 512 2HG1 ILE 52 3HG1 ILE 52 4.811 -4.824 -1.720 513 1HG2 ILE 52 1HG2 ILE 52 8.235 -3.994 -2.419 514 2HG2 ILE 52 2HG2 ILE 52 7.507 -5.588 -2.163 515 3HG2 ILE 52 3HG2 ILE 52 8.109 -5.140 -3.762 516 1HD1 ILE 52 2HD1 ILE 52 6.875 -2.725 -0.977 517 2HD1 ILE 52 3HD1 ILE 52 5.431 -3.104 -0.024 518 3HD1 ILE 52 1HD1 ILE 52 6.650 -4.353 -0.313 519 QG1 ILE 52 QG1 ILE 52 4.713 -3.993 -1.975 520 QG2 ILE 52 QG2 ILE 52 7.950 -4.907 -2.781 521 QD1 ILE 52 QD1 ILE 52 6.319 -3.394 -0.438 522 H HIS 53 HN HIS 53 5.342 -1.108 -2.746 523 HA HIS 53 HA HIS 53 7.972 -0.429 -1.678 524 1HB HIS 53 2HB HIS 53 7.380 1.122 -3.722 525 2HB HIS 53 3HB HIS 53 6.254 1.890 -2.608 526 HD1 HIS 53 HD1 HIS 53 7.761 2.579 -0.085 527 HD2 HIS 53 HD2 HIS 53 9.739 2.145 -3.804 528 HE1 HIS 53 HE1 HIS 53 9.986 3.774 0.138 529 HE2 HIS 53 HE2 HIS 53 11.197 3.520 -2.120 530 QB HIS 53 QB HIS 53 6.817 1.506 -3.165 531 H CYS 54 HN CYS 54 7.769 0.041 0.487 532 HA CYS 54 HA CYS 54 5.032 0.462 1.631 533 1HB CYS 54 2HB CYS 54 7.540 -0.733 2.859 534 2HB CYS 54 3HB CYS 54 6.130 -0.208 3.784 535 QB CYS 54 QB CYS 54 6.835 -0.470 3.321 536 H CYS 55 HN CYS 55 4.915 2.063 3.365 537 HA CYS 55 HA CYS 55 7.197 3.771 3.867 538 1HB CYS 55 2HB CYS 55 5.883 5.842 3.220 539 2HB CYS 55 3HB CYS 55 6.566 4.891 1.915 540 QB CYS 55 QB CYS 55 6.224 5.366 2.567 541 H GLN 56 HN GLN 56 6.623 5.339 5.503 542 HA GLN 56 HA GLN 56 4.738 4.076 7.451 543 1HB GLN 56 2HB GLN 56 6.507 4.183 9.120 544 2HB GLN 56 3HB GLN 56 7.044 3.238 7.727 545 1HG GLN 56 2HG GLN 56 8.335 5.175 6.880 546 2HG GLN 56 3HG GLN 56 7.774 6.169 8.235 547 1HE2 GLN 56 2HE2 GLN 56 11.113 5.121 9.224 548 2HE2 GLN 56 1HE2 GLN 56 10.372 6.201 8.059 549 QB GLN 56 QB GLN 56 6.775 3.710 8.424 550 QG GLN 56 QG GLN 56 8.055 5.672 7.557 551 QE2 GLN 56 QE2 GLN 56 10.743 5.661 8.642 552 H SER 57 HN SER 57 4.285 6.530 5.916 553 HA SER 57 HA SER 57 3.764 8.247 8.289 554 1HB SER 57 2HB SER 57 3.761 10.194 6.699 555 2HB SER 57 3HB SER 57 5.357 9.514 7.064 556 HG SER 57 HG SER 57 4.855 9.946 4.776 557 QB SER 57 QB SER 57 4.559 9.854 6.881 558 H ASP 58 HN ASP 58 1.775 9.583 7.841 559 HA ASP 58 HA ASP 58 -0.435 7.951 7.021 560 1HB ASP 58 2HB ASP 58 0.021 10.882 7.709 561 2HB ASP 58 3HB ASP 58 -1.436 10.412 6.850 562 QB ASP 58 QB ASP 58 -0.708 10.647 7.279 563 H LYS 59 HN LYS 59 -1.581 7.930 5.160 564 HA LYS 59 HA LYS 59 -2.085 8.254 2.894 565 1HB LYS 59 2HB LYS 59 -1.259 11.076 3.716 566 2HB LYS 59 3HB LYS 59 -2.389 10.681 2.426 567 1HG LYS 59 2HG LYS 59 -4.080 9.989 3.922 568 2HG LYS 59 3HG LYS 59 -2.977 9.754 5.275 569 1HD LYS 59 2HD LYS 59 -2.513 12.287 5.217 570 2HD LYS 59 3HD LYS 59 -3.873 12.383 4.098 571 1HE LYS 59 2HE LYS 59 -4.937 12.769 6.123 572 2HE LYS 59 3HE LYS 59 -5.191 11.034 5.946 573 1HZ LYS 59 3HZ LYS 59 -3.043 12.285 7.565 574 2HZ LYS 59 1HZ LYS 59 -4.454 11.735 8.171 575 3HZ LYS 59 2HZ LYS 59 -3.366 10.690 7.601 576 QB LYS 59 QB LYS 59 -1.824 10.879 3.071 577 QG LYS 59 QG LYS 59 -3.528 9.872 4.599 578 QD LYS 59 QD LYS 59 -3.193 12.335 4.657 579 QE LYS 59 QE LYS 59 -5.064 11.902 6.034 580 QZ LYS 59 QZ LYS 59 -3.621 11.570 7.779 581 H CYS 60 HN CYS 60 0.517 7.331 3.297 582 HA CYS 60 HA CYS 60 2.368 9.006 1.784 583 1HB CYS 60 2HB CYS 60 4.038 7.613 2.724 584 2HB CYS 60 3HB CYS 60 2.823 7.899 3.965 585 QB CYS 60 QB CYS 60 3.431 7.756 3.344 586 H ASN 61 HN ASN 61 0.490 6.077 1.328 587 HA ASN 61 HA ASN 61 2.338 5.008 -0.665 588 1HB ASN 61 2HB ASN 61 1.058 2.983 -0.416 589 2HB ASN 61 3HB ASN 61 1.459 3.614 1.178 590 1HD2 ASN 61 2HD2 ASN 61 -2.248 2.612 0.892 591 2HD2 ASN 61 1HD2 ASN 61 -0.850 1.796 0.218 592 QB ASN 61 QB ASN 61 1.259 3.299 0.381 593 QD2 ASN 61 QD2 ASN 61 -1.549 2.204 0.555 594 OH TYR 62 OH TYR 62 -3.482 10.997 -7.299 595 H TYR 62 HN TYR 62 0.935 7.374 -1.509 596 HA TYR 62 HA TYR 62 -1.567 7.032 -2.682 597 1HB TYR 62 2HB TYR 62 -0.403 9.169 -2.330 598 2HB TYR 62 3HB TYR 62 0.792 8.744 -3.546 599 HD1 TYR 62 HD1 TYR 62 0.209 8.712 -5.959 600 HD2 TYR 62 HD2 TYR 62 -2.593 10.001 -2.949 601 HE1 TYR 62 HE1 TYR 62 -1.214 9.734 -7.715 602 HE2 TYR 62 HE2 TYR 62 -4.029 10.989 -4.704 603 HH TYR 62 HH TYR 62 -4.208 11.517 -6.949 604 QB TYR 62 QB TYR 62 0.194 8.956 -2.938 605 QR TYR 62 QR TYR 62 -1.907 9.859 -5.332 Start of MODEL 4 Raw file had 605 H/Q atoms Start of MODEL 4 1 NH1 ARG 1 NH2 ARG 1 1.399 7.942 10.407 2 NH2 ARG 1 NH1 ARG 1 2.979 6.246 10.319 3 H ARG 1 HN ARG 1 -4.902 5.444 12.303 4 HA ARG 1 HA ARG 1 -3.079 6.355 11.020 5 1HB ARG 1 2HB ARG 1 -1.626 4.325 11.304 6 2HB ARG 1 3HB ARG 1 -2.686 3.402 10.256 7 1HG ARG 1 2HG ARG 1 -0.771 3.954 8.981 8 2HG ARG 1 3HG ARG 1 -2.059 4.954 8.359 9 1HD ARG 1 2HD ARG 1 -0.544 6.609 8.603 10 2HD ARG 1 3HD ARG 1 -1.079 6.663 10.278 11 HE ARG 1 HE ARG 1 1.114 4.804 9.732 12 1HH1 ARG 1 2HH2 ARG 1 0.433 8.268 10.269 13 2HH1 ARG 1 1HH2 ARG 1 2.073 8.613 10.734 14 1HH2 ARG 1 2HH1 ARG 1 3.142 5.257 10.139 15 2HH2 ARG 1 1HH1 ARG 1 3.784 6.859 10.195 16 QB ARG 1 QB ARG 1 -2.156 3.863 10.780 17 QG ARG 1 QG ARG 1 -1.415 4.454 8.670 18 QD ARG 1 QD ARG 1 -0.812 6.636 9.441 19 QH1 ARG 1 QH2 ARG 1 1.253 8.440 10.502 20 QH2 ARG 1 QH1 ARG 1 3.463 6.058 10.167 21 H ILE 2 HN ILE 2 -3.456 6.946 8.663 22 HA ILE 2 HA ILE 2 -5.733 5.480 7.386 23 HB ILE 2 HB ILE 2 -5.117 8.451 7.320 24 1HG1 ILE 2 2HG1 ILE 2 -7.395 6.870 8.601 25 2HG1 ILE 2 3HG1 ILE 2 -6.163 7.830 9.436 26 1HG2 ILE 2 2HG2 ILE 2 -5.992 7.573 5.132 27 2HG2 ILE 2 3HG2 ILE 2 -7.412 6.947 5.995 28 3HG2 ILE 2 1HG2 ILE 2 -7.098 8.687 5.909 29 1HD1 ILE 2 3HD1 ILE 2 -7.077 9.886 8.295 30 2HD1 ILE 2 1HD1 ILE 2 -8.437 8.882 7.723 31 3HD1 ILE 2 2HD1 ILE 2 -8.164 9.095 9.453 32 QG1 ILE 2 QG1 ILE 2 -6.779 7.350 9.018 33 QG2 ILE 2 QG2 ILE 2 -6.834 7.736 5.679 34 QD1 ILE 2 QD1 ILE 2 -7.893 9.288 8.490 35 H CYS 3 HN CYS 3 -5.391 4.894 5.298 36 HA CYS 3 HA CYS 3 -2.855 5.691 3.932 37 1HB CYS 3 2HB CYS 3 -3.956 2.870 4.234 38 2HB CYS 3 3HB CYS 3 -2.590 3.335 3.217 39 QB CYS 3 QB CYS 3 -3.273 3.102 3.726 40 OH TYR 4 OH TYR 4 -5.233 11.527 -0.655 41 H TYR 4 HN TYR 4 -3.134 5.345 1.492 42 HA TYR 4 HA TYR 4 -6.015 5.504 0.785 43 1HB TYR 4 2HB TYR 4 -3.628 5.609 -1.103 44 2HB TYR 4 3HB TYR 4 -5.295 5.529 -1.505 45 HD1 TYR 4 HD2 TYR 4 -6.935 7.319 -0.929 46 HD2 TYR 4 HD1 TYR 4 -2.754 7.764 -0.020 47 HE1 TYR 4 HE2 TYR 4 -7.179 9.776 -1.080 48 HE2 TYR 4 HE1 TYR 4 -3.022 10.249 -0.136 49 HH TYR 4 HH TYR 4 -6.100 11.835 -0.928 50 QB TYR 4 QB TYR 4 -4.461 5.569 -1.304 51 QR TYR 4 QR TYR 4 -4.972 8.777 -0.541 52 H ASN 5 HN ASN 5 -7.071 3.964 -0.314 53 HA ASN 5 HA ASN 5 -5.770 1.283 -0.542 54 1HB ASN 5 2HB ASN 5 -7.613 0.142 0.196 55 2HB ASN 5 3HB ASN 5 -7.497 1.474 1.348 56 1HD2 ASN 5 2HD2 ASN 5 -10.431 3.107 -0.376 57 2HD2 ASN 5 1HD2 ASN 5 -8.821 3.633 -0.023 58 QB ASN 5 QB ASN 5 -7.555 0.808 0.772 59 QD2 ASN 5 QD2 ASN 5 -9.626 3.370 -0.200 60 H HIS 6 HN HIS 6 -6.256 3.727 -2.357 61 HA HIS 6 HA HIS 6 -8.237 2.819 -4.226 62 1HB HIS 6 2HB HIS 6 -7.373 4.602 -5.695 63 2HB HIS 6 3HB HIS 6 -8.133 5.019 -4.168 64 HD1 HIS 6 HD1 HIS 6 -6.841 7.126 -3.149 65 HD2 HIS 6 HD2 HIS 6 -4.385 4.531 -5.348 66 HE1 HIS 6 HE1 HIS 6 -4.504 8.213 -3.265 67 HE2 HIS 6 HE2 HIS 6 -3.037 6.654 -4.620 68 QB HIS 6 QB HIS 6 -7.753 4.811 -4.932 69 H GLN 7 HN GLN 7 -8.106 1.579 -5.837 70 HA GLN 7 HA GLN 7 -5.551 0.207 -6.536 71 1HB GLN 7 2HB GLN 7 -7.474 -1.057 -5.555 72 2HB GLN 7 3HB GLN 7 -8.444 -0.676 -6.978 73 1HG GLN 7 2HG GLN 7 -6.838 -2.030 -8.362 74 2HG GLN 7 3HG GLN 7 -5.906 -2.372 -6.889 75 1HE2 GLN 7 2HE2 GLN 7 -8.407 -4.582 -5.535 76 2HE2 GLN 7 1HE2 GLN 7 -7.285 -3.337 -5.017 77 QB GLN 7 QB GLN 7 -7.959 -0.867 -6.266 78 QG GLN 7 QG GLN 7 -6.372 -2.201 -7.625 79 QE2 GLN 7 QE2 GLN 7 -7.846 -3.960 -5.276 80 H SER 8 HN SER 8 -5.622 -0.545 -8.967 81 HA SER 8 HA SER 8 -6.007 1.613 -10.786 82 1HB SER 8 2HB SER 8 -5.735 -1.355 -11.262 83 2HB SER 8 3HB SER 8 -6.074 -0.219 -12.577 84 HG SER 8 HG SER 8 -3.936 -0.261 -12.544 85 QB SER 8 QB SER 8 -5.904 -0.787 -11.920 86 H THR 9 HN THR 9 -8.308 2.176 -9.921 87 HA THR 9 HA THR 9 -10.323 1.088 -11.778 88 HB THR 9 HB THR 9 -10.313 -0.509 -9.894 89 HG1 THR 9 1HG THR 9 -12.208 -0.200 -11.000 90 1HG2 THR 9 3HG2 THR 9 -9.691 1.049 -8.046 91 2HG2 THR 9 1HG2 THR 9 -11.312 1.763 -8.129 92 3HG2 THR 9 2HG2 THR 9 -11.123 0.058 -7.705 93 QG2 THR 9 QG2 THR 9 -10.709 0.957 -7.960 94 H THR 10 HN THR 10 -9.253 3.519 -11.994 95 HA THR 10 HA THR 10 -9.824 5.762 -12.154 96 HB THR 10 HB THR 10 -11.892 6.304 -12.754 97 HG1 THR 10 1HG THR 10 -12.824 4.203 -11.117 98 1HG2 THR 10 2HG2 THR 10 -10.913 4.567 -14.233 99 2HG2 THR 10 3HG2 THR 10 -11.863 3.331 -13.374 100 3HG2 THR 10 1HG2 THR 10 -12.686 4.623 -14.260 101 QG2 THR 10 QG2 THR 10 -11.820 4.174 -13.956 102 NH1 ARG 11 NH2 ARG 11 -13.682 12.311 -8.266 103 NH2 ARG 11 NH1 ARG 11 -14.446 12.413 -10.451 104 H ARG 11 HN ARG 11 -12.275 6.444 -10.641 105 HA ARG 11 HA ARG 11 -11.133 8.219 -8.815 106 1HB ARG 11 2HB ARG 11 -13.447 8.287 -9.745 107 2HB ARG 11 3HB ARG 11 -13.935 7.048 -8.576 108 1HG ARG 11 2HG ARG 11 -13.500 8.528 -6.715 109 2HG ARG 11 3HG ARG 11 -12.668 9.704 -7.749 110 1HD ARG 11 2HD ARG 11 -15.605 8.934 -8.030 111 2HD ARG 11 3HD ARG 11 -15.075 10.310 -7.082 112 HE ARG 11 HE ARG 11 -15.272 10.081 -9.979 113 1HH1 ARG 11 2HH2 ARG 11 -13.576 11.787 -7.411 114 2HH1 ARG 11 1HH2 ARG 11 -13.303 13.244 -8.317 115 1HH2 ARG 11 2HH1 ARG 11 -14.929 12.001 -11.237 116 2HH2 ARG 11 1HH1 ARG 11 -14.080 13.348 -10.558 117 QB ARG 11 QB ARG 11 -13.691 7.667 -9.161 118 QG ARG 11 QG ARG 11 -13.084 9.116 -7.232 119 QD ARG 11 QD ARG 11 -15.340 9.622 -7.556 120 QH1 ARG 11 QH2 ARG 11 -13.440 12.515 -7.864 121 QH2 ARG 11 QH1 ARG 11 -14.505 12.674 -10.897 122 H ALA 12 HN ALA 12 -11.088 8.325 -6.503 123 HA ALA 12 HA ALA 12 -9.996 5.740 -5.501 124 1HB ALA 12 3HB ALA 12 -8.949 8.608 -5.563 125 2HB ALA 12 1HB ALA 12 -8.149 7.268 -4.754 126 3HB ALA 12 2HB ALA 12 -8.345 7.235 -6.520 127 QB ALA 12 QB ALA 12 -8.481 7.704 -5.612 128 H THR 13 HN THR 13 -9.723 5.508 -3.179 129 HA THR 13 HA THR 13 -11.166 7.457 -1.483 130 HB THR 13 HB THR 13 -12.355 5.681 -0.376 131 HG1 THR 13 1HG THR 13 -11.415 3.864 -2.328 132 1HG2 THR 13 3HG2 THR 13 -13.355 6.671 -2.471 133 2HG2 THR 13 1HG2 THR 13 -12.697 5.305 -3.397 134 3HG2 THR 13 2HG2 THR 13 -13.898 5.009 -2.139 135 QG2 THR 13 QG2 THR 13 -13.317 5.662 -2.669 136 H THR 14 HN THR 14 -10.398 7.699 0.588 137 HA THR 14 HA THR 14 -7.958 6.318 1.500 138 HB THR 14 HB THR 14 -8.576 7.687 3.570 139 HG1 THR 14 1HG THR 14 -10.813 7.921 2.880 140 1HG2 THR 14 1HG2 THR 14 -6.899 8.553 1.942 141 2HG2 THR 14 2HG2 THR 14 -8.227 9.329 1.033 142 3HG2 THR 14 3HG2 THR 14 -7.857 9.854 2.684 143 QG2 THR 14 QG2 THR 14 -7.661 9.246 1.886 144 H LYS 15 HN LYS 15 -8.079 4.931 3.360 145 HA LYS 15 HA LYS 15 -10.552 4.686 4.756 146 1HB LYS 15 2HB LYS 15 -9.661 2.405 2.992 147 2HB LYS 15 3HB LYS 15 -10.135 2.004 4.610 148 1HG LYS 15 2HG LYS 15 -12.228 1.888 3.925 149 2HG LYS 15 3HG LYS 15 -12.246 3.654 3.861 150 1HD LYS 15 2HD LYS 15 -11.412 3.486 1.482 151 2HD LYS 15 3HD LYS 15 -11.647 1.739 1.559 152 1HE LYS 15 2HE LYS 15 -13.792 3.902 1.905 153 2HE LYS 15 3HE LYS 15 -13.508 2.956 0.439 154 1HZ LYS 15 1HZ LYS 15 -14.091 0.974 1.648 155 2HZ LYS 15 2HZ LYS 15 -14.362 1.837 3.026 156 3HZ LYS 15 3HZ LYS 15 -15.316 2.067 1.710 157 QB LYS 15 QB LYS 15 -9.898 2.204 3.801 158 QG LYS 15 QG LYS 15 -12.237 2.771 3.893 159 QD LYS 15 QD LYS 15 -11.529 2.613 1.520 160 QE LYS 15 QE LYS 15 -13.650 3.429 1.172 161 QZ LYS 15 QZ LYS 15 -14.589 1.626 2.128 162 H SER 16 HN SER 16 -10.161 3.210 6.681 163 HA SER 16 HA SER 16 -7.909 4.549 7.943 164 1HB SER 16 2HB SER 16 -10.239 4.313 8.917 165 2HB SER 16 3HB SER 16 -9.847 2.612 9.255 166 HG SER 16 HG SER 16 -9.395 4.120 10.996 167 QB SER 16 QB SER 16 -10.043 3.462 9.086 168 H CYS 17 HN CYS 17 -6.475 3.309 9.495 169 HA CYS 17 HA CYS 17 -5.721 0.569 8.638 170 1HB CYS 17 2HB CYS 17 -4.553 2.044 7.093 171 2HB CYS 17 3HB CYS 17 -3.989 3.030 8.424 172 QB CYS 17 QB CYS 17 -4.271 2.537 7.759 173 H GLU 20 HN GLU 20 -4.798 -0.586 10.314 174 HA GLU 20 HA GLU 20 -4.579 0.703 12.943 175 1HB GLU 20 2HB GLU 20 -4.266 -1.577 13.770 176 2HB GLU 20 3HB GLU 20 -5.749 -1.347 12.834 177 1HG GLU 20 2HG GLU 20 -4.499 -2.426 10.842 178 2HG GLU 20 3HG GLU 20 -3.262 -2.887 12.033 179 QB GLU 20 QB GLU 20 -5.008 -1.462 13.302 180 QG GLU 20 QG GLU 20 -3.880 -2.656 11.437 181 H GLU 21 HN GLU 21 -2.377 -1.334 10.907 182 HA GLU 21 HA GLU 21 -0.051 -0.971 12.367 183 1HB GLU 21 2HB GLU 21 -0.384 -1.087 9.367 184 2HB GLU 21 3HB GLU 21 1.180 -1.181 10.185 185 1HG GLU 21 2HG GLU 21 0.340 -3.209 11.409 186 2HG GLU 21 3HG GLU 21 -0.990 -3.281 10.242 187 QB GLU 21 QB GLU 21 0.398 -1.134 9.776 188 QG GLU 21 QG GLU 21 -0.325 -3.245 10.825 189 H ASN 22 HN ASN 22 1.831 0.337 11.986 190 HA ASN 22 HA ASN 22 1.177 3.175 11.722 191 1HB ASN 22 2HB ASN 22 3.380 3.637 12.386 192 2HB ASN 22 3HB ASN 22 2.850 2.279 13.385 193 1HD2 ASN 22 2HD2 ASN 22 6.270 1.874 11.423 194 2HD2 ASN 22 1HD2 ASN 22 5.557 3.394 11.913 195 QB ASN 22 QB ASN 22 3.115 2.958 12.885 196 QD2 ASN 22 QD2 ASN 22 5.914 2.634 11.668 197 H SER 23 HN SER 23 2.116 0.622 9.486 198 HA SER 23 HA SER 23 3.478 2.435 7.665 199 1HB SER 23 2HB SER 23 3.560 -0.022 6.540 200 2HB SER 23 3HB SER 23 4.680 0.507 7.802 201 HG SER 23 HG SER 23 3.401 -1.588 8.231 202 QB SER 23 QB SER 23 4.120 0.243 7.171 203 H CYS 24 HN CYS 24 3.001 2.249 5.404 204 HA CYS 24 HA CYS 24 0.322 1.304 4.602 205 1HB CYS 24 2HB CYS 24 1.500 3.944 3.655 206 2HB CYS 24 3HB CYS 24 -0.012 3.194 3.126 207 QB CYS 24 QB CYS 24 0.744 3.569 3.390 208 OH TYR 25 OH TYR 25 -2.043 -4.416 -0.109 209 H TYR 25 HN TYR 25 0.387 0.747 2.242 210 HA TYR 25 HA TYR 25 3.049 0.857 1.018 211 1HB TYR 25 2HB TYR 25 3.285 -1.437 0.612 212 2HB TYR 25 3HB TYR 25 2.780 -1.371 2.289 213 HD1 TYR 25 HD1 TYR 25 0.234 -1.727 2.764 214 HD2 TYR 25 HD2 TYR 25 2.093 -2.732 -0.986 215 HE1 TYR 25 HE1 TYR 25 -1.698 -3.183 2.181 216 HE2 TYR 25 HE2 TYR 25 0.090 -4.051 -1.622 217 HH TYR 25 HH TYR 25 -1.988 -4.820 -0.994 218 QB TYR 25 QB TYR 25 3.033 -1.404 1.451 219 QR TYR 25 QR TYR 25 0.180 -2.923 0.584 220 H LYS 26 HN LYS 26 3.129 0.182 -1.135 221 HA LYS 26 HA LYS 26 0.684 0.440 -2.816 222 1HB LYS 26 2HB LYS 26 2.229 2.455 -2.898 223 2HB LYS 26 3HB LYS 26 3.530 1.360 -3.384 224 1HG LYS 26 2HG LYS 26 1.974 0.722 -5.389 225 2HG LYS 26 3HG LYS 26 1.018 2.104 -4.924 226 1HD LYS 26 2HD LYS 26 3.191 3.493 -5.029 227 2HD LYS 26 3HD LYS 26 3.984 2.057 -5.675 228 1HE LYS 26 2HE LYS 26 2.308 2.048 -7.582 229 2HE LYS 26 3HE LYS 26 1.660 3.571 -6.968 230 1HZ LYS 26 3HZ LYS 26 3.875 4.530 -7.260 231 2HZ LYS 26 1HZ LYS 26 4.398 3.124 -7.944 232 3HZ LYS 26 2HZ LYS 26 3.218 4.008 -8.670 233 QB LYS 26 QB LYS 26 2.879 1.908 -3.141 234 QG LYS 26 QG LYS 26 1.496 1.413 -5.157 235 QD LYS 26 QD LYS 26 3.587 2.775 -5.352 236 QE LYS 26 QE LYS 26 1.984 2.809 -7.275 237 QZ LYS 26 QZ LYS 26 3.830 3.887 -7.958 238 H LYS 27 HN LYS 27 0.603 -1.215 -4.420 239 HA LYS 27 HA LYS 27 2.979 -2.937 -4.862 240 1HB LYS 27 2HB LYS 27 1.651 -4.185 -3.313 241 2HB LYS 27 3HB LYS 27 0.160 -3.856 -4.196 242 1HG LYS 27 2HG LYS 27 1.129 -5.182 -6.148 243 2HG LYS 27 3HG LYS 27 2.530 -5.507 -5.122 244 1HD LYS 27 2HD LYS 27 1.366 -7.399 -4.501 245 2HD LYS 27 3HD LYS 27 0.494 -6.291 -3.441 246 1HE LYS 27 2HE LYS 27 -1.188 -7.511 -4.556 247 2HE LYS 27 3HE LYS 27 -1.149 -5.936 -5.359 248 1HZ LYS 27 2HZ LYS 27 0.150 -6.927 -7.107 249 2HZ LYS 27 3HZ LYS 27 0.074 -8.409 -6.382 250 3HZ LYS 27 1HZ LYS 27 -1.294 -7.670 -6.920 251 QB LYS 27 QB LYS 27 0.906 -4.021 -3.755 252 QG LYS 27 QG LYS 27 1.830 -5.345 -5.635 253 QD LYS 27 QD LYS 27 0.930 -6.845 -3.971 254 QE LYS 27 QE LYS 27 -1.168 -6.724 -4.957 255 QZ LYS 27 QZ LYS 27 -0.357 -7.669 -6.803 256 OH TYR 28 OH TYR 28 7.921 -0.297 -6.684 257 H TYR 28 HN TYR 28 3.283 -3.297 -7.130 258 HA TYR 28 HA TYR 28 1.115 -2.447 -8.938 259 1HB TYR 28 2HB TYR 28 2.793 -0.948 -9.998 260 2HB TYR 28 3HB TYR 28 2.052 -0.386 -8.507 261 HD1 TYR 28 HD2 TYR 28 3.422 -0.570 -6.327 262 HD2 TYR 28 HD1 TYR 28 5.185 -1.080 -10.226 263 HE1 TYR 28 HE2 TYR 28 5.626 -0.039 -5.386 264 HE2 TYR 28 HE1 TYR 28 7.421 -0.619 -9.253 265 HH TYR 28 HH TYR 28 7.930 -0.492 -5.736 266 QB TYR 28 QB TYR 28 2.423 -0.667 -9.253 267 QR TYR 28 QR TYR 28 5.414 -0.577 -7.798 268 CH2 TRP 29 CH2 TRP 29 -2.382 -6.293 -8.438 269 H TRP 29 HN TRP 29 1.122 -3.492 -10.858 270 HA TRP 29 HA TRP 29 3.540 -4.593 -12.005 271 1HB TRP 29 2HB TRP 29 2.871 -6.835 -11.976 272 2HB TRP 29 3HB TRP 29 2.888 -6.299 -10.313 273 HD1 TRP 29 HD1 TRP 29 0.955 -8.288 -12.615 274 HE1 TRP 29 HE1 TRP 29 -1.361 -8.835 -11.746 275 HE3 TRP 29 HE3 TRP 29 0.651 -4.817 -8.831 276 HZ2 TRP 29 HZ2 TRP 29 -3.094 -7.989 -9.574 277 HZ3 TRP 29 HZ3 TRP 29 -1.440 -4.546 -7.586 278 HH2 TRP 29 HH2 TRP 29 -3.274 -6.213 -7.831 279 QB TRP 29 QB TRP 29 2.880 -6.567 -11.145 280 NH1 ARG 30 NH2 ARG 30 3.852 -0.494 -15.184 281 NH2 ARG 30 NH1 ARG 30 3.708 0.591 -17.225 282 H ARG 30 HN ARG 30 2.720 -5.986 -14.037 283 HA ARG 30 HA ARG 30 0.885 -4.191 -15.509 284 1HB ARG 30 2HB ARG 30 3.217 -5.804 -16.262 285 2HB ARG 30 3HB ARG 30 1.856 -6.029 -17.330 286 1HG ARG 30 2HG ARG 30 3.178 -4.244 -18.210 287 2HG ARG 30 3HG ARG 30 1.613 -3.621 -17.668 288 1HD ARG 30 2HD ARG 30 2.751 -2.931 -15.504 289 2HD ARG 30 3HD ARG 30 4.301 -3.368 -16.241 290 HE ARG 30 HE ARG 30 3.159 -1.701 -18.100 291 1HH1 ARG 30 2HH2 ARG 30 3.632 -1.311 -14.634 292 2HH1 ARG 30 1HH2 ARG 30 4.089 0.359 -14.702 293 1HH2 ARG 30 2HH1 ARG 30 3.542 0.572 -18.221 294 2HH2 ARG 30 1HH1 ARG 30 3.927 1.476 -16.794 295 QB ARG 30 QB ARG 30 2.537 -5.916 -16.796 296 QG ARG 30 QG ARG 30 2.395 -3.932 -17.939 297 QD ARG 30 QD ARG 30 3.526 -3.150 -15.873 298 QH1 ARG 30 QH2 ARG 30 3.861 -0.476 -14.668 299 QH2 ARG 30 QH1 ARG 30 3.734 1.024 -17.507 300 H ASP 31 HN ASP 31 -0.573 -5.052 -16.966 301 HA ASP 31 HA ASP 31 -1.476 -7.861 -16.583 302 1HB ASP 31 2HB ASP 31 -3.223 -6.325 -15.715 303 2HB ASP 31 3HB ASP 31 -3.295 -5.509 -17.286 304 QB ASP 31 QB ASP 31 -3.259 -5.917 -16.500 305 H HIS 32 HN HIS 32 -3.155 -6.912 -19.171 306 HA HIS 32 HA HIS 32 -0.969 -7.583 -21.068 307 1HB HIS 32 2HB HIS 32 -3.999 -7.498 -21.319 308 2HB HIS 32 3HB HIS 32 -2.881 -7.838 -22.649 309 HD1 HIS 32 HD1 HIS 32 -2.671 -10.379 -23.046 310 HD2 HIS 32 HD2 HIS 32 -3.492 -9.351 -19.034 311 HE1 HIS 32 HE1 HIS 32 -2.979 -12.581 -21.753 312 HE2 HIS 32 HE2 HIS 32 -3.464 -11.915 -19.310 313 QB HIS 32 QB HIS 32 -3.440 -7.668 -21.984 314 NH1 ARG 33 NH2 ARG 33 -4.331 -5.927 -27.202 315 NH2 ARG 33 NH1 ARG 33 -3.038 -5.037 -28.907 316 H ARG 33 HN ARG 33 -3.802 -5.392 -21.422 317 HA ARG 33 HA ARG 33 -1.956 -3.196 -22.319 318 1HB ARG 33 2HB ARG 33 -4.868 -3.725 -23.042 319 2HB ARG 33 3HB ARG 33 -3.977 -2.236 -23.385 320 1HG ARG 33 2HG ARG 33 -2.298 -3.539 -24.687 321 2HG ARG 33 3HG ARG 33 -3.299 -4.989 -24.487 322 1HD ARG 33 2HD ARG 33 -5.180 -3.856 -25.679 323 2HD ARG 33 3HD ARG 33 -4.273 -2.355 -25.699 324 HE ARG 33 HE ARG 33 -2.996 -3.000 -27.446 325 1HH1 ARG 33 2HH2 ARG 33 -4.762 -5.816 -26.296 326 2HH1 ARG 33 1HH2 ARG 33 -4.445 -6.800 -27.694 327 1HH2 ARG 33 2HH1 ARG 33 -2.513 -4.271 -29.306 328 2HH2 ARG 33 1HH1 ARG 33 -3.100 -5.895 -29.436 329 QB ARG 33 QB ARG 33 -4.422 -2.981 -23.214 330 QG ARG 33 QG ARG 33 -2.799 -4.264 -24.587 331 QD ARG 33 QD ARG 33 -4.726 -3.106 -25.689 332 QH1 ARG 33 QH2 ARG 33 -4.604 -6.308 -26.995 333 QH2 ARG 33 QH1 ARG 33 -2.807 -5.083 -29.371 334 H GLY 34 HN GLY 34 -1.902 -3.546 -19.672 335 1HA GLY 34 1HA GLY 34 -3.030 -1.114 -18.679 336 2HA GLY 34 2HA GLY 34 -3.959 -2.516 -18.096 337 QA GLY 34 QA GLY 34 -3.495 -1.815 -18.388 338 H THR 35 HN THR 35 -2.594 -0.923 -16.283 339 HA THR 35 HA THR 35 -0.697 -2.899 -15.232 340 HB THR 35 HB THR 35 0.204 -0.571 -16.076 341 HG1 THR 35 1HG THR 35 0.875 -2.009 -13.756 342 1HG2 THR 35 2HG2 THR 35 -1.360 0.829 -14.753 343 2HG2 THR 35 3HG2 THR 35 -0.619 0.217 -13.255 344 3HG2 THR 35 1HG2 THR 35 0.345 1.162 -14.399 345 QG2 THR 35 QG2 THR 35 -0.545 0.736 -14.136 346 H ILE 36 HN ILE 36 -1.053 -3.493 -13.136 347 HA ILE 36 HA ILE 36 -3.627 -2.538 -11.980 348 HB ILE 36 HB ILE 36 -2.060 -4.985 -11.220 349 1HG1 ILE 36 2HG1 ILE 36 -2.624 -5.342 -13.530 350 2HG1 ILE 36 3HG1 ILE 36 -3.656 -6.328 -12.507 351 1HG2 ILE 36 1HG2 ILE 36 -4.928 -4.036 -10.719 352 2HG2 ILE 36 2HG2 ILE 36 -4.316 -5.634 -10.283 353 3HG2 ILE 36 3HG2 ILE 36 -3.635 -4.175 -9.528 354 1HD1 ILE 36 3HD1 ILE 36 -4.502 -3.691 -13.804 355 2HD1 ILE 36 1HD1 ILE 36 -4.923 -5.314 -14.364 356 3HD1 ILE 36 2HD1 ILE 36 -5.533 -4.744 -12.807 357 QG1 ILE 36 QG1 ILE 36 -3.140 -5.835 -13.018 358 QG2 ILE 36 QG2 ILE 36 -4.293 -4.615 -10.177 359 QD1 ILE 36 QD1 ILE 36 -4.986 -4.583 -13.658 360 H ILE 37 HN ILE 37 -3.336 -0.954 -10.596 361 HA ILE 37 HA ILE 37 -0.990 -0.760 -8.799 362 HB ILE 37 HB ILE 37 -3.414 1.049 -9.331 363 1HG1 ILE 37 2HG1 ILE 37 -1.954 1.036 -11.289 364 2HG1 ILE 37 3HG1 ILE 37 -1.987 2.587 -10.463 365 1HG2 ILE 37 2HG2 ILE 37 -0.957 1.463 -7.570 366 2HG2 ILE 37 3HG2 ILE 37 -2.106 2.743 -8.024 367 3HG2 ILE 37 1HG2 ILE 37 -2.651 1.366 -7.059 368 1HD1 ILE 37 1HD1 ILE 37 0.254 2.064 -9.459 369 2HD1 ILE 37 2HD1 ILE 37 0.272 0.541 -10.390 370 3HD1 ILE 37 3HD1 ILE 37 0.244 2.102 -11.228 371 QG1 ILE 37 QG1 ILE 37 -1.970 1.811 -10.876 372 QG2 ILE 37 QG2 ILE 37 -1.905 1.857 -7.551 373 QD1 ILE 37 QD1 ILE 37 0.257 1.569 -10.359 374 H GLU 38 HN GLU 38 -1.295 -1.684 -6.818 375 HA GLU 38 HA GLU 38 -4.003 -1.793 -5.605 376 1HB GLU 38 2HB GLU 38 -3.272 -4.119 -5.973 377 2HB GLU 38 3HB GLU 38 -1.701 -3.731 -5.268 378 1HG GLU 38 2HG GLU 38 -2.913 -3.255 -3.059 379 2HG GLU 38 3HG GLU 38 -4.390 -3.854 -3.838 380 QB GLU 38 QB GLU 38 -2.487 -3.925 -5.621 381 QG GLU 38 QG GLU 38 -3.652 -3.555 -3.449 382 NH1 ARG 39 NH2 ARG 39 -1.054 4.919 -5.852 383 NH2 ARG 39 NH1 ARG 39 1.023 4.960 -4.886 384 H ARG 39 HN ARG 39 -3.856 -1.247 -3.306 385 HA ARG 39 HA ARG 39 -1.441 0.055 -2.343 386 1HB ARG 39 2HB ARG 39 -2.513 1.578 -4.059 387 2HB ARG 39 3HB ARG 39 -3.958 1.644 -3.028 388 1HG ARG 39 2HG ARG 39 -2.923 2.987 -1.496 389 2HG ARG 39 3HG ARG 39 -1.284 2.391 -1.872 390 1HD ARG 39 2HD ARG 39 -2.820 3.815 -4.016 391 2HD ARG 39 3HD ARG 39 -2.149 4.780 -2.689 392 HE ARG 39 HE ARG 39 0.000 3.812 -3.066 393 1HH1 ARG 39 1HH2 ARG 39 -1.944 4.477 -6.013 394 2HH1 ARG 39 2HH2 ARG 39 -0.908 5.904 -6.094 395 1HH2 ARG 39 2HH1 ARG 39 1.483 4.915 -3.974 396 2HH2 ARG 39 1HH1 ARG 39 1.159 5.904 -5.258 397 QB ARG 39 QB ARG 39 -3.235 1.611 -3.544 398 QG ARG 39 QG ARG 39 -2.104 2.689 -1.684 399 QD ARG 39 QD ARG 39 -2.484 4.298 -3.353 400 QH1 ARG 39 QH2 ARG 39 -1.426 5.190 -6.054 401 QH2 ARG 39 QH1 ARG 39 1.321 5.410 -4.616 402 H GLY 40 HN GLY 40 -1.611 0.230 -0.041 403 1HA GLY 40 1HA GLY 40 -4.160 0.045 1.291 404 2HA GLY 40 2HA GLY 40 -3.405 -1.553 1.139 405 QA GLY 40 QA GLY 40 -3.782 -0.754 1.215 406 H CYS 41 HN CYS 41 -3.431 -1.538 3.419 407 HA CYS 41 HA CYS 41 -1.816 0.450 4.900 408 1HB CYS 41 2HB CYS 41 -3.826 0.475 5.744 409 2HB CYS 41 3HB CYS 41 -4.238 -1.241 5.430 410 QB CYS 41 QB CYS 41 -4.032 -0.383 5.587 411 H GLY 42 HN GLY 42 -0.681 -0.192 6.718 412 1HA GLY 42 1HA GLY 42 0.936 -1.497 7.808 413 2HA GLY 42 2HA GLY 42 0.152 -2.927 7.105 414 QA GLY 42 QA GLY 42 0.544 -2.212 7.456 415 H CYS 43 HN CYS 43 2.407 -3.716 6.923 416 HA CYS 43 HA CYS 43 3.433 -3.004 4.209 417 1HB CYS 43 2HB CYS 43 4.924 -1.860 5.748 418 2HB CYS 43 3HB CYS 43 5.231 -3.383 6.605 419 QB CYS 43 QB CYS 43 5.078 -2.622 6.177 420 HA PRO 44 HA PRO 44 2.997 -7.551 4.631 421 1HB PRO 44 2HB PRO 44 1.315 -8.074 2.563 422 2HB PRO 44 3HB PRO 44 0.713 -7.369 4.095 423 1HG PRO 44 2HG PRO 44 1.477 -5.866 1.566 424 2HG PRO 44 3HG PRO 44 -0.064 -5.758 2.468 425 1HD PRO 44 2HD PRO 44 1.998 -4.011 2.869 426 2HD PRO 44 3HD PRO 44 0.955 -4.537 4.225 427 QB PRO 44 QB PRO 44 1.014 -7.722 3.329 428 QG PRO 44 QG PRO 44 0.706 -5.812 2.017 429 QD PRO 44 QD PRO 44 1.477 -4.274 3.547 430 H LYS 45 HN LYS 45 3.646 -9.217 2.969 431 HA LYS 45 HA LYS 45 5.707 -8.213 1.084 432 1HB LYS 45 2HB LYS 45 6.407 -9.903 2.602 433 2HB LYS 45 3HB LYS 45 5.047 -10.967 2.185 434 1HG LYS 45 2HG LYS 45 5.996 -11.385 -0.007 435 2HG LYS 45 3HG LYS 45 7.265 -10.151 0.269 436 1HD LYS 45 2HD LYS 45 8.236 -11.522 2.055 437 2HD LYS 45 3HD LYS 45 6.868 -12.634 1.999 438 1HE LYS 45 2HE LYS 45 8.838 -13.597 0.887 439 2HE LYS 45 3HE LYS 45 7.467 -13.430 -0.220 440 1HZ LYS 45 2HZ LYS 45 9.711 -11.524 -0.073 441 2HZ LYS 45 3HZ LYS 45 9.582 -12.738 -1.173 442 3HZ LYS 45 1HZ LYS 45 8.479 -11.523 -1.176 443 QB LYS 45 QB LYS 45 5.727 -10.435 2.393 444 QG LYS 45 QG LYS 45 6.631 -10.768 0.131 445 QD LYS 45 QD LYS 45 7.552 -12.078 2.027 446 QE LYS 45 QE LYS 45 8.153 -13.514 0.333 447 QZ LYS 45 QZ LYS 45 9.257 -11.928 -0.807 448 H VAL 46 HN VAL 46 5.783 -9.292 -1.019 449 HA VAL 46 HA VAL 46 3.130 -9.963 -2.200 450 HB VAL 46 HB VAL 46 3.665 -8.614 -4.159 451 1HG1 VAL 46 1HG1 VAL 46 2.359 -7.594 -2.311 452 2HG1 VAL 46 2HG1 VAL 46 3.847 -6.966 -1.590 453 3HG1 VAL 46 3HG1 VAL 46 3.337 -6.385 -3.174 454 1HG2 VAL 46 3HG2 VAL 46 6.201 -8.679 -3.925 455 2HG2 VAL 46 1HG2 VAL 46 5.506 -7.110 -4.309 456 3HG2 VAL 46 2HG2 VAL 46 6.047 -7.463 -2.650 457 QG1 VAL 46 QG1 VAL 46 3.181 -6.981 -2.358 458 QG2 VAL 46 QG2 VAL 46 5.918 -7.751 -3.628 459 QQG VAL 46 QQG VAL 46 4.550 -7.366 -2.993 460 H LYS 47 HN LYS 47 3.389 -10.913 -4.392 461 HA LYS 47 HA LYS 47 5.276 -13.103 -4.460 462 1HB LYS 47 2HB LYS 47 3.076 -12.029 -6.174 463 2HB LYS 47 3HB LYS 47 4.244 -12.897 -7.039 464 1HG LYS 47 2HG LYS 47 3.949 -14.810 -5.333 465 2HG LYS 47 3HG LYS 47 2.530 -13.914 -4.743 466 1HD LYS 47 2HD LYS 47 1.520 -14.044 -7.034 467 2HD LYS 47 3HD LYS 47 3.012 -14.745 -7.653 468 1HE LYS 47 2HE LYS 47 1.517 -16.559 -7.449 469 2HE LYS 47 3HE LYS 47 2.714 -16.740 -6.164 470 1HZ LYS 47 2HZ LYS 47 1.070 -15.814 -4.631 471 2HZ LYS 47 3HZ LYS 47 -0.030 -15.689 -5.852 472 3HZ LYS 47 1HZ LYS 47 0.506 -17.163 -5.376 473 QB LYS 47 QB LYS 47 3.660 -12.463 -6.606 474 QG LYS 47 QG LYS 47 3.240 -14.362 -5.038 475 QD LYS 47 QD LYS 47 2.266 -14.395 -7.344 476 QE LYS 47 QE LYS 47 2.115 -16.649 -6.806 477 QZ LYS 47 QZ LYS 47 0.515 -16.222 -5.286 478 HA PRO 48 HA PRO 48 8.448 -11.045 -6.843 479 1HB PRO 48 2HB PRO 48 9.483 -13.001 -8.414 480 2HB PRO 48 3HB PRO 48 9.559 -13.087 -6.631 481 1HG PRO 48 2HG PRO 48 7.648 -14.505 -8.478 482 2HG PRO 48 3HG PRO 48 8.473 -15.147 -7.030 483 1HD PRO 48 2HD PRO 48 5.864 -14.124 -7.169 484 2HD PRO 48 3HD PRO 48 6.738 -14.290 -5.644 485 QB PRO 48 QB PRO 48 9.521 -13.044 -7.522 486 QG PRO 48 QG PRO 48 8.061 -14.826 -7.754 487 QD PRO 48 QD PRO 48 6.301 -14.207 -6.406 488 H GLY 49 HN GLY 49 9.071 -10.461 -9.166 489 1HA GLY 49 1HA GLY 49 8.458 -9.437 -11.105 490 2HA GLY 49 2HA GLY 49 7.343 -10.787 -11.357 491 QA GLY 49 QA GLY 49 7.900 -10.112 -11.231 492 H VAL 50 HN VAL 50 7.143 -8.671 -8.538 493 HA VAL 50 HA VAL 50 4.954 -7.021 -9.634 494 HB VAL 50 HB VAL 50 4.843 -8.772 -7.133 495 1HG1 VAL 50 2HG1 VAL 50 2.903 -6.591 -7.992 496 2HG1 VAL 50 3HG1 VAL 50 2.647 -7.759 -6.676 497 3HG1 VAL 50 1HG1 VAL 50 3.957 -6.584 -6.561 498 1HG2 VAL 50 1HG2 VAL 50 4.142 -9.954 -9.208 499 2HG2 VAL 50 2HG2 VAL 50 2.796 -9.710 -8.096 500 3HG2 VAL 50 3HG2 VAL 50 2.961 -8.670 -9.528 501 QG1 VAL 50 QG1 VAL 50 3.169 -6.978 -7.076 502 QG2 VAL 50 QG2 VAL 50 3.300 -9.444 -8.944 503 QQG VAL 50 QQG VAL 50 3.234 -8.211 -8.010 504 H GLY 51 HN GLY 51 5.499 -4.890 -9.075 505 1HA GLY 51 1HA GLY 51 7.726 -4.493 -7.345 506 2HA GLY 51 2HA GLY 51 6.866 -3.218 -8.166 507 QA GLY 51 QA GLY 51 7.296 -3.855 -7.756 508 H ILE 52 HN ILE 52 7.554 -2.899 -5.641 509 HA ILE 52 HA ILE 52 5.064 -2.761 -4.100 510 HB ILE 52 HB ILE 52 5.909 -5.006 -3.748 511 1HG1 ILE 52 2HG1 ILE 52 4.756 -3.650 -1.890 512 2HG1 ILE 52 3HG1 ILE 52 5.449 -5.240 -1.587 513 1HG2 ILE 52 3HG2 ILE 52 8.297 -4.715 -4.103 514 2HG2 ILE 52 1HG2 ILE 52 8.444 -3.800 -2.593 515 3HG2 ILE 52 2HG2 ILE 52 7.981 -5.516 -2.563 516 1HD1 ILE 52 2HD1 ILE 52 6.857 -2.672 -0.786 517 2HD1 ILE 52 3HD1 ILE 52 5.872 -3.717 0.248 518 3HD1 ILE 52 1HD1 ILE 52 7.368 -4.336 -0.455 519 QG1 ILE 52 QG1 ILE 52 5.102 -4.445 -1.739 520 QG2 ILE 52 QG2 ILE 52 8.241 -4.677 -3.087 521 QD1 ILE 52 QD1 ILE 52 6.699 -3.575 -0.331 522 H HIS 53 HN HIS 53 5.259 -1.263 -2.316 523 HA HIS 53 HA HIS 53 7.878 -0.285 -1.565 524 1HB HIS 53 2HB HIS 53 7.244 1.124 -3.587 525 2HB HIS 53 3HB HIS 53 5.923 1.794 -2.630 526 HD1 HIS 53 HD1 HIS 53 7.723 2.352 0.106 527 HD2 HIS 53 HD2 HIS 53 8.692 3.222 -3.927 528 HE1 HIS 53 HE1 HIS 53 9.410 4.242 0.155 529 HE2 HIS 53 HE2 HIS 53 10.007 4.778 -2.289 530 QB HIS 53 QB HIS 53 6.583 1.459 -3.109 531 H CYS 54 HN CYS 54 7.706 -0.118 0.616 532 HA CYS 54 HA CYS 54 5.054 0.435 1.895 533 1HB CYS 54 2HB CYS 54 7.588 -0.782 3.045 534 2HB CYS 54 3HB CYS 54 6.154 -0.321 3.971 535 QB CYS 54 QB CYS 54 6.871 -0.552 3.508 536 H CYS 55 HN CYS 55 5.072 2.058 3.682 537 HA CYS 55 HA CYS 55 7.446 3.554 4.282 538 1HB CYS 55 2HB CYS 55 6.466 5.729 3.524 539 2HB CYS 55 3HB CYS 55 7.034 4.684 2.238 540 QB CYS 55 QB CYS 55 6.750 5.206 2.881 541 H GLN 56 HN GLN 56 6.701 5.476 5.745 542 HA GLN 56 HA GLN 56 4.833 4.225 7.725 543 1HB GLN 56 2HB GLN 56 6.499 4.693 9.430 544 2HB GLN 56 3HB GLN 56 7.087 3.567 8.208 545 1HG GLN 56 2HG GLN 56 8.456 5.267 7.159 546 2HG GLN 56 3HG GLN 56 7.755 6.541 8.176 547 1HE2 GLN 56 2HE2 GLN 56 11.002 5.767 9.720 548 2HE2 GLN 56 1HE2 GLN 56 10.426 6.529 8.250 549 QB GLN 56 QB GLN 56 6.793 4.130 8.819 550 QG GLN 56 QG GLN 56 8.106 5.904 7.667 551 QE2 GLN 56 QE2 GLN 56 10.714 6.148 8.985 552 H SER 57 HN SER 57 3.996 6.418 6.098 553 HA SER 57 HA SER 57 3.322 8.288 8.295 554 1HB SER 57 2HB SER 57 3.515 9.969 6.103 555 2HB SER 57 3HB SER 57 4.660 9.854 7.450 556 HG SER 57 HG SER 57 5.692 9.650 5.416 557 QB SER 57 QB SER 57 4.087 9.911 6.776 558 H ASP 58 HN ASP 58 1.260 9.272 8.066 559 HA ASP 58 HA ASP 58 -0.768 7.698 6.894 560 1HB ASP 58 2HB ASP 58 -0.638 10.592 7.795 561 2HB ASP 58 3HB ASP 58 -2.075 9.947 7.002 562 QB ASP 58 QB ASP 58 -1.357 10.269 7.398 563 H LYS 59 HN LYS 59 -1.564 7.439 5.029 564 HA LYS 59 HA LYS 59 -1.854 7.519 2.761 565 1HB LYS 59 2HB LYS 59 -1.556 10.508 3.200 566 2HB LYS 59 3HB LYS 59 -2.364 9.725 1.861 567 1HG LYS 59 2HG LYS 59 -4.121 8.852 3.274 568 2HG LYS 59 3HG LYS 59 -3.245 9.304 4.738 569 1HD LYS 59 2HD LYS 59 -3.349 11.758 3.795 570 2HD LYS 59 3HD LYS 59 -4.592 11.123 2.722 571 1HE LYS 59 2HE LYS 59 -5.616 12.145 4.680 572 2HE LYS 59 3HE LYS 59 -5.928 10.406 4.712 573 1HZ LYS 59 3HZ LYS 59 -3.786 11.762 6.241 574 2HZ LYS 59 1HZ LYS 59 -5.245 11.344 6.863 575 3HZ LYS 59 2HZ LYS 59 -4.204 10.180 6.376 576 QB LYS 59 QB LYS 59 -1.960 10.117 2.530 577 QG LYS 59 QG LYS 59 -3.683 9.078 4.006 578 QD LYS 59 QD LYS 59 -3.971 11.440 3.259 579 QE LYS 59 QE LYS 59 -5.772 11.275 4.696 580 QZ LYS 59 QZ LYS 59 -4.412 11.095 6.493 581 H CYS 60 HN CYS 60 1.154 7.860 3.903 582 HA CYS 60 HA CYS 60 2.702 9.138 1.945 583 1HB CYS 60 2HB CYS 60 4.537 7.840 2.793 584 2HB CYS 60 3HB CYS 60 3.453 8.203 4.133 585 QB CYS 60 QB CYS 60 3.995 8.022 3.463 586 H ASN 61 HN ASN 61 0.989 6.082 1.857 587 HA ASN 61 HA ASN 61 2.521 4.982 -0.232 588 1HB ASN 61 2HB ASN 61 0.910 3.246 -0.404 589 2HB ASN 61 3HB ASN 61 1.209 3.583 1.294 590 1HD2 ASN 61 2HD2 ASN 61 -2.463 2.979 0.655 591 2HD2 ASN 61 1HD2 ASN 61 -0.960 2.091 0.574 592 QB ASN 61 QB ASN 61 1.059 3.415 0.445 593 QD2 ASN 61 QD2 ASN 61 -1.711 2.535 0.615 594 OH TYR 62 OH TYR 62 -2.397 12.451 -6.428 595 H TYR 62 HN TYR 62 0.532 7.519 -0.573 596 HA TYR 62 HA TYR 62 -1.214 6.989 -2.606 597 1HB TYR 62 2HB TYR 62 -1.423 9.032 -1.404 598 2HB TYR 62 3HB TYR 62 0.213 9.511 -1.734 599 HD1 TYR 62 HD1 TYR 62 0.891 10.542 -3.910 600 HD2 TYR 62 HD2 TYR 62 -3.198 9.865 -2.793 601 HE1 TYR 62 HE1 TYR 62 0.140 12.076 -5.701 602 HE2 TYR 62 HE2 TYR 62 -3.961 11.303 -4.659 603 HH TYR 62 HH TYR 62 -1.688 12.751 -7.002 604 QB TYR 62 QB TYR 62 -0.605 9.272 -1.569 605 QR TYR 62 QR TYR 62 -1.532 10.946 -4.266 Start of MODEL 5 Raw file had 605 H/Q atoms Start of MODEL 5 1 NH1 ARG 1 NH2 ARG 1 2.849 7.914 10.963 2 NH2 ARG 1 NH1 ARG 1 3.724 5.872 10.334 3 H ARG 1 HN ARG 1 -4.629 5.130 12.507 4 HA ARG 1 HA ARG 1 -3.219 6.835 11.417 5 1HB ARG 1 2HB ARG 1 -1.941 4.293 10.372 6 2HB ARG 1 3HB ARG 1 -1.891 5.736 9.392 7 1HG ARG 1 2HG ARG 1 -1.192 6.485 12.129 8 2HG ARG 1 3HG ARG 1 -0.287 5.051 11.692 9 1HD ARG 1 2HD ARG 1 -0.225 7.046 9.498 10 2HD ARG 1 3HD ARG 1 0.228 7.768 11.019 11 HE ARG 1 HE ARG 1 1.399 5.182 10.027 12 1HH1 ARG 1 2HH2 ARG 1 2.053 8.498 11.165 13 2HH1 ARG 1 1HH2 ARG 1 3.779 8.282 11.103 14 1HH2 ARG 1 2HH1 ARG 1 3.585 4.868 10.181 15 2HH2 ARG 1 1HH1 ARG 1 4.636 6.277 10.121 16 QB ARG 1 QB ARG 1 -1.916 5.015 9.882 17 QG ARG 1 QG ARG 1 -0.739 5.768 11.911 18 QD ARG 1 QD ARG 1 0.002 7.407 10.258 19 QH1 ARG 1 QH2 ARG 1 2.916 8.390 11.134 20 QH2 ARG 1 QH1 ARG 1 4.111 5.572 10.151 21 H ILE 2 HN ILE 2 -3.361 7.216 8.855 22 HA ILE 2 HA ILE 2 -5.845 6.066 7.774 23 HB ILE 2 HB ILE 2 -5.044 9.007 8.013 24 1HG1 ILE 2 2HG1 ILE 2 -7.679 8.959 8.619 25 2HG1 ILE 2 3HG1 ILE 2 -7.272 7.327 9.131 26 1HG2 ILE 2 2HG2 ILE 2 -7.214 7.827 6.230 27 2HG2 ILE 2 3HG2 ILE 2 -6.934 9.554 6.527 28 3HG2 ILE 2 1HG2 ILE 2 -5.719 8.618 5.678 29 1HD1 ILE 2 1HD1 ILE 2 -5.933 9.913 10.062 30 2HD1 ILE 2 2HD1 ILE 2 -7.129 8.962 10.970 31 3HD1 ILE 2 3HD1 ILE 2 -5.521 8.291 10.655 32 QG1 ILE 2 QG1 ILE 2 -7.475 8.143 8.875 33 QG2 ILE 2 QG2 ILE 2 -6.622 8.666 6.145 34 QD1 ILE 2 QD1 ILE 2 -6.194 9.055 10.562 35 H CYS 3 HN CYS 3 -5.688 5.890 5.460 36 HA CYS 3 HA CYS 3 -3.293 6.818 4.067 37 1HB CYS 3 2HB CYS 3 -3.573 3.975 4.995 38 2HB CYS 3 3HB CYS 3 -2.923 4.220 3.393 39 QB CYS 3 QB CYS 3 -3.248 4.097 4.194 40 OH TYR 4 OH TYR 4 -3.973 11.886 0.010 41 H TYR 4 HN TYR 4 -3.366 5.745 1.729 42 HA TYR 4 HA TYR 4 -6.201 5.875 0.902 43 1HB TYR 4 2HB TYR 4 -3.942 5.842 -1.109 44 2HB TYR 4 3HB TYR 4 -5.637 6.123 -1.184 45 HD1 TYR 4 HD1 TYR 4 -2.509 7.584 0.236 46 HD2 TYR 4 HD2 TYR 4 -6.606 8.317 -0.884 47 HE1 TYR 4 HE1 TYR 4 -2.139 10.027 0.348 48 HE2 TYR 4 HE2 TYR 4 -6.262 10.727 -0.640 49 HH TYR 4 HH TYR 4 -4.688 12.400 -0.370 50 QB TYR 4 QB TYR 4 -4.790 5.983 -1.147 51 QR TYR 4 QR TYR 4 -4.379 9.164 -0.235 52 H ASN 5 HN ASN 5 -7.209 4.248 -0.236 53 HA ASN 5 HA ASN 5 -5.837 1.576 -0.224 54 1HB ASN 5 2HB ASN 5 -7.871 0.576 0.545 55 2HB ASN 5 3HB ASN 5 -7.409 1.830 1.698 56 1HD2 ASN 5 2HD2 ASN 5 -11.118 1.940 0.446 57 2HD2 ASN 5 1HD2 ASN 5 -10.095 0.537 0.700 58 QB ASN 5 QB ASN 5 -7.640 1.203 1.122 59 QD2 ASN 5 QD2 ASN 5 -10.607 1.238 0.573 60 H HIS 6 HN HIS 6 -6.718 3.920 -2.187 61 HA HIS 6 HA HIS 6 -8.526 2.666 -3.995 62 1HB HIS 6 2HB HIS 6 -7.809 4.562 -5.480 63 2HB HIS 6 3HB HIS 6 -8.503 4.929 -3.910 64 HD1 HIS 6 HD1 HIS 6 -7.227 6.884 -2.656 65 HD2 HIS 6 HD2 HIS 6 -4.865 4.671 -5.307 66 HE1 HIS 6 HE1 HIS 6 -4.973 8.211 -3.067 67 HE2 HIS 6 HE2 HIS 6 -3.588 6.799 -4.580 68 QB HIS 6 QB HIS 6 -8.156 4.746 -4.695 69 H GLN 7 HN GLN 7 -8.137 1.898 -6.123 70 HA GLN 7 HA GLN 7 -5.535 0.506 -6.488 71 1HB GLN 7 2HB GLN 7 -8.207 -0.549 -6.151 72 2HB GLN 7 3HB GLN 7 -7.719 -0.863 -7.806 73 1HG GLN 7 2HG GLN 7 -5.713 -2.055 -7.018 74 2HG GLN 7 3HG GLN 7 -6.155 -1.700 -5.329 75 1HE2 GLN 7 2HE2 GLN 7 -7.416 -5.144 -6.234 76 2HE2 GLN 7 1HE2 GLN 7 -5.806 -4.520 -6.165 77 QB GLN 7 QB GLN 7 -7.963 -0.706 -6.979 78 QG GLN 7 QG GLN 7 -5.934 -1.877 -6.174 79 QE2 GLN 7 QE2 GLN 7 -6.611 -4.832 -6.200 80 H SER 8 HN SER 8 -5.625 -0.256 -9.040 81 HA SER 8 HA SER 8 -5.577 1.967 -10.722 82 1HB SER 8 2HB SER 8 -6.183 -0.163 -12.413 83 2HB SER 8 3HB SER 8 -4.580 0.327 -11.876 84 HG SER 8 HG SER 8 -6.280 -1.592 -10.646 85 QB SER 8 QB SER 8 -5.381 0.082 -12.145 86 H THR 9 HN THR 9 -7.149 3.137 -11.722 87 HA THR 9 HA THR 9 -9.023 3.715 -12.782 88 HB THR 9 HB THR 9 -10.570 1.204 -12.196 89 HG1 THR 9 1HG THR 9 -8.761 0.247 -12.776 90 1HG2 THR 9 3HG2 THR 9 -11.529 3.058 -13.557 91 2HG2 THR 9 1HG2 THR 9 -10.184 2.883 -14.709 92 3HG2 THR 9 2HG2 THR 9 -11.343 1.557 -14.486 93 QG2 THR 9 QG2 THR 9 -11.019 2.499 -14.251 94 H THR 10 HN THR 10 -9.507 1.950 -9.697 95 HA THR 10 HA THR 10 -11.997 3.182 -9.122 96 HB THR 10 HB THR 10 -11.738 2.277 -6.895 97 HG1 THR 10 1HG THR 10 -9.784 0.962 -6.590 98 1HG2 THR 10 3HG2 THR 10 -12.341 0.794 -8.862 99 2HG2 THR 10 1HG2 THR 10 -10.635 0.325 -8.994 100 3HG2 THR 10 2HG2 THR 10 -11.546 -0.086 -7.537 101 QG2 THR 10 QG2 THR 10 -11.508 0.344 -8.464 102 NH1 ARG 11 NH2 ARG 11 -14.788 11.035 -8.516 103 NH2 ARG 11 NH1 ARG 11 -13.642 13.029 -8.222 104 H ARG 11 HN ARG 11 -12.548 4.847 -7.667 105 HA ARG 11 HA ARG 11 -11.014 7.147 -8.220 106 1HB ARG 11 2HB ARG 11 -13.510 7.038 -7.873 107 2HB ARG 11 3HB ARG 11 -13.217 6.824 -6.142 108 1HG ARG 11 2HG ARG 11 -13.830 9.107 -6.626 109 2HG ARG 11 3HG ARG 11 -12.174 9.078 -6.035 110 1HD ARG 11 2HD ARG 11 -11.298 9.359 -8.319 111 2HD ARG 11 3HD ARG 11 -12.895 9.171 -9.022 112 HE ARG 11 HE ARG 11 -11.677 11.523 -7.805 113 1HH1 ARG 11 2HH2 ARG 11 -14.784 10.026 -8.516 114 2HH1 ARG 11 1HH2 ARG 11 -15.654 11.517 -8.700 115 1HH2 ARG 11 2HH1 ARG 11 -12.788 13.535 -8.036 116 2HH2 ARG 11 1HH1 ARG 11 -14.481 13.562 -8.394 117 QB ARG 11 QB ARG 11 -13.364 6.931 -7.008 118 QG ARG 11 QG ARG 11 -13.002 9.092 -6.330 119 QD ARG 11 QD ARG 11 -12.096 9.265 -8.671 120 QH1 ARG 11 QH2 ARG 11 -15.219 10.772 -8.608 121 QH2 ARG 11 QH1 ARG 11 -13.635 13.548 -8.215 122 H ALA 12 HN ALA 12 -9.806 8.565 -6.822 123 HA ALA 12 HA ALA 12 -8.154 7.025 -5.153 124 1HB ALA 12 2HB ALA 12 -8.062 9.986 -5.719 125 2HB ALA 12 3HB ALA 12 -6.817 9.078 -4.850 126 3HB ALA 12 1HB ALA 12 -7.170 8.677 -6.535 127 QB ALA 12 QB ALA 12 -7.350 9.247 -5.701 128 H THR 13 HN THR 13 -9.705 6.288 -3.429 129 HA THR 13 HA THR 13 -10.669 8.320 -1.549 130 HB THR 13 HB THR 13 -11.817 6.152 -0.702 131 HG1 THR 13 1HG THR 13 -11.768 4.481 -2.285 132 1HG2 THR 13 1HG2 THR 13 -12.949 7.844 -2.149 133 2HG2 THR 13 2HG2 THR 13 -12.319 7.021 -3.590 134 3HG2 THR 13 3HG2 THR 13 -13.471 6.192 -2.524 135 QG2 THR 13 QG2 THR 13 -12.913 7.019 -2.754 136 H THR 14 HN THR 14 -10.628 7.573 0.784 137 HA THR 14 HA THR 14 -7.971 6.582 1.629 138 HB THR 14 HB THR 14 -8.389 8.157 3.616 139 HG1 THR 14 1HG THR 14 -10.070 9.477 1.758 140 1HG2 THR 14 1HG2 THR 14 -7.909 9.422 0.897 141 2HG2 THR 14 2HG2 THR 14 -7.516 10.151 2.466 142 3HG2 THR 14 3HG2 THR 14 -6.685 8.670 1.962 143 QG2 THR 14 QG2 THR 14 -7.370 9.414 1.775 144 H LYS 15 HN LYS 15 -7.931 5.489 3.692 145 HA LYS 15 HA LYS 15 -10.437 5.109 5.096 146 1HB LYS 15 2HB LYS 15 -8.792 2.854 3.888 147 2HB LYS 15 3HB LYS 15 -9.765 2.567 5.311 148 1HG LYS 15 2HG LYS 15 -10.999 3.553 2.700 149 2HG LYS 15 3HG LYS 15 -10.680 1.880 3.088 150 1HD LYS 15 2HD LYS 15 -12.932 2.148 3.611 151 2HD LYS 15 3HD LYS 15 -12.050 1.952 5.111 152 1HE LYS 15 2HE LYS 15 -13.890 3.598 5.259 153 2HE LYS 15 3HE LYS 15 -12.341 4.295 5.695 154 1HZ LYS 15 1HZ LYS 15 -13.669 4.598 3.064 155 2HZ LYS 15 2HZ LYS 15 -13.625 5.737 4.246 156 3HZ LYS 15 3HZ LYS 15 -12.242 5.294 3.491 157 QB LYS 15 QB LYS 15 -9.278 2.710 4.600 158 QG LYS 15 QG LYS 15 -10.839 2.716 2.894 159 QD LYS 15 QD LYS 15 -12.491 2.050 4.361 160 QE LYS 15 QE LYS 15 -13.115 3.946 5.477 161 QZ LYS 15 QZ LYS 15 -13.179 5.210 3.600 162 H SER 16 HN SER 16 -9.897 3.841 7.152 163 HA SER 16 HA SER 16 -7.610 5.006 8.502 164 1HB SER 16 2HB SER 16 -9.684 4.463 9.713 165 2HB SER 16 3HB SER 16 -9.492 2.741 9.317 166 HG SER 16 HG SER 16 -7.932 2.595 10.784 167 QB SER 16 QB SER 16 -9.588 3.602 9.515 168 H CYS 17 HN CYS 17 -6.087 3.563 9.584 169 HA CYS 17 HA CYS 17 -5.423 0.995 8.344 170 1HB CYS 17 2HB CYS 17 -4.200 2.345 6.840 171 2HB CYS 17 3HB CYS 17 -3.635 3.412 8.123 172 QB CYS 17 QB CYS 17 -3.918 2.879 7.482 173 H GLU 20 HN GLU 20 -5.500 -0.122 10.218 174 HA GLU 20 HA GLU 20 -4.888 0.730 12.767 175 1HB GLU 20 2HB GLU 20 -4.520 -1.921 12.994 176 2HB GLU 20 3HB GLU 20 -6.098 -1.119 12.803 177 1HG GLU 20 2HG GLU 20 -4.769 -2.127 10.319 178 2HG GLU 20 3HG GLU 20 -5.552 -3.245 11.422 179 QB GLU 20 QB GLU 20 -5.309 -1.520 12.898 180 QG GLU 20 QG GLU 20 -5.160 -2.686 10.871 181 H GLU 21 HN GLU 21 -2.637 -1.302 10.674 182 HA GLU 21 HA GLU 21 -0.441 -1.063 12.354 183 1HB GLU 21 2HB GLU 21 -0.586 -1.206 9.323 184 2HB GLU 21 3HB GLU 21 0.930 -1.268 10.207 185 1HG GLU 21 2HG GLU 21 0.385 -3.503 9.725 186 2HG GLU 21 3HG GLU 21 0.169 -3.270 11.460 187 QB GLU 21 QB GLU 21 0.172 -1.237 9.765 188 QG GLU 21 QG GLU 21 0.277 -3.386 10.592 189 H ASN 22 HN ASN 22 1.542 0.102 12.040 190 HA ASN 22 HA ASN 22 1.228 2.974 11.995 191 1HB ASN 22 2HB ASN 22 2.907 1.810 13.373 192 2HB ASN 22 3HB ASN 22 3.691 1.184 11.913 193 1HD2 ASN 22 2HD2 ASN 22 4.501 4.974 13.171 194 2HD2 ASN 22 1HD2 ASN 22 3.311 3.994 14.001 195 QB ASN 22 QB ASN 22 3.299 1.497 12.643 196 QD2 ASN 22 QD2 ASN 22 3.906 4.484 13.586 197 H SER 23 HN SER 23 2.060 0.538 9.549 198 HA SER 23 HA SER 23 3.237 2.544 7.697 199 1HB SER 23 2HB SER 23 3.427 -0.480 7.737 200 2HB SER 23 3HB SER 23 4.379 0.655 6.775 201 HG SER 23 HG SER 23 5.073 1.541 8.892 202 QB SER 23 QB SER 23 3.903 0.087 7.256 203 H CYS 24 HN CYS 24 2.905 1.903 5.374 204 HA CYS 24 HA CYS 24 0.382 0.546 4.767 205 1HB CYS 24 2HB CYS 24 0.977 3.415 3.944 206 2HB CYS 24 3HB CYS 24 -0.375 2.445 3.338 207 QB CYS 24 QB CYS 24 0.301 2.930 3.641 208 OH TYR 25 OH TYR 25 -2.799 -4.461 -0.182 209 H TYR 25 HN TYR 25 0.250 0.150 2.410 210 HA TYR 25 HA TYR 25 2.920 0.110 1.142 211 1HB TYR 25 2HB TYR 25 2.818 -2.136 0.595 212 2HB TYR 25 3HB TYR 25 2.330 -2.080 2.276 213 HD1 TYR 25 HD2 TYR 25 1.145 -2.513 -1.232 214 HD2 TYR 25 HD1 TYR 25 0.134 -2.880 2.933 215 HE1 TYR 25 HE2 TYR 25 -1.063 -3.435 -1.844 216 HE2 TYR 25 HE1 TYR 25 -1.915 -4.150 2.314 217 HH TYR 25 HH TYR 25 -3.380 -3.808 -0.595 218 QB TYR 25 QB TYR 25 2.574 -2.108 1.435 219 QR TYR 25 QR TYR 25 -0.424 -3.244 0.543 220 H LYS 26 HN LYS 26 2.948 -0.361 -1.028 221 HA LYS 26 HA LYS 26 0.617 0.403 -2.682 222 1HB LYS 26 2HB LYS 26 2.338 2.246 -2.080 223 2HB LYS 26 3HB LYS 26 3.496 1.363 -3.066 224 1HG LYS 26 2HG LYS 26 0.790 2.323 -4.057 225 2HG LYS 26 3HG LYS 26 2.218 3.352 -4.090 226 1HD LYS 26 2HD LYS 26 3.338 2.157 -5.710 227 2HD LYS 26 3HD LYS 26 2.541 0.642 -5.326 228 1HE LYS 26 2HE LYS 26 1.114 2.984 -6.645 229 2HE LYS 26 3HE LYS 26 1.848 1.631 -7.524 230 1HZ LYS 26 2HZ LYS 26 -0.315 1.230 -5.529 231 2HZ LYS 26 3HZ LYS 26 -0.469 1.191 -7.154 232 3HZ LYS 26 1HZ LYS 26 0.437 0.103 -6.379 233 QB LYS 26 QB LYS 26 2.917 1.805 -2.573 234 QG LYS 26 QG LYS 26 1.504 2.838 -4.074 235 QD LYS 26 QD LYS 26 2.939 1.399 -5.518 236 QE LYS 26 QE LYS 26 1.481 2.308 -7.084 237 QZ LYS 26 QZ LYS 26 -0.116 0.841 -6.354 238 H LYS 27 HN LYS 27 0.364 -1.287 -4.206 239 HA LYS 27 HA LYS 27 2.654 -3.117 -4.800 240 1HB LYS 27 2HB LYS 27 -0.054 -3.738 -3.850 241 2HB LYS 27 3HB LYS 27 0.100 -4.220 -5.518 242 1HG LYS 27 2HG LYS 27 0.907 -6.129 -4.865 243 2HG LYS 27 3HG LYS 27 2.412 -5.286 -4.627 244 1HD LYS 27 2HD LYS 27 2.312 -6.109 -2.547 245 2HD LYS 27 3HD LYS 27 1.212 -4.809 -2.185 246 1HE LYS 27 2HE LYS 27 0.440 -7.662 -3.063 247 2HE LYS 27 3HE LYS 27 0.442 -7.075 -1.403 248 1HZ LYS 27 2HZ LYS 27 -1.333 -5.544 -2.004 249 2HZ LYS 27 3HZ LYS 27 -1.391 -6.129 -3.552 250 3HZ LYS 27 1HZ LYS 27 -1.753 -7.082 -2.325 251 QB LYS 27 QB LYS 27 0.023 -3.979 -4.684 252 QG LYS 27 QG LYS 27 1.659 -5.708 -4.746 253 QD LYS 27 QD LYS 27 1.762 -5.459 -2.366 254 QE LYS 27 QE LYS 27 0.441 -7.368 -2.233 255 QZ LYS 27 QZ LYS 27 -1.492 -6.251 -2.627 256 OH TYR 28 OH TYR 28 7.921 -0.394 -7.308 257 H TYR 28 HN TYR 28 2.888 -3.669 -7.170 258 HA TYR 28 HA TYR 28 0.843 -2.684 -8.977 259 1HB TYR 28 2HB TYR 28 2.646 -1.467 -10.194 260 2HB TYR 28 3HB TYR 28 2.019 -0.668 -8.764 261 HD1 TYR 28 HD1 TYR 28 3.477 -0.828 -6.589 262 HD2 TYR 28 HD2 TYR 28 4.978 -1.733 -10.520 263 HE1 TYR 28 HE1 TYR 28 5.760 -0.297 -5.826 264 HE2 TYR 28 HE2 TYR 28 7.264 -1.174 -9.764 265 HH TYR 28 HH TYR 28 8.584 -0.454 -7.998 266 QB TYR 28 QB TYR 28 2.333 -1.068 -9.479 267 QR TYR 28 QR TYR 28 5.370 -1.008 -8.175 268 CH2 TRP 29 CH2 TRP 29 -2.029 -7.567 -7.748 269 H TRP 29 HN TRP 29 0.902 -3.837 -10.957 270 HA TRP 29 HA TRP 29 3.331 -4.982 -11.870 271 1HB TRP 29 2HB TRP 29 2.669 -7.232 -11.921 272 2HB TRP 29 3HB TRP 29 2.741 -6.725 -10.246 273 HD1 TRP 29 HD1 TRP 29 0.527 -8.309 -12.793 274 HE1 TRP 29 HE1 TRP 29 -1.615 -9.141 -11.714 275 HE3 TRP 29 HE3 TRP 29 0.889 -5.880 -8.279 276 HZ2 TRP 29 HZ2 TRP 29 -2.973 -8.892 -9.170 277 HZ3 TRP 29 HZ3 TRP 29 -0.871 -6.191 -6.569 278 HH2 TRP 29 HH2 TRP 29 -2.798 -7.685 -6.996 279 QB TRP 29 QB TRP 29 2.705 -6.979 -11.084 280 NH1 ARG 30 NH2 ARG 30 6.485 -7.125 -17.181 281 NH2 ARG 30 NH1 ARG 30 8.444 -6.056 -16.554 282 H ARG 30 HN ARG 30 2.921 -6.126 -14.028 283 HA ARG 30 HA ARG 30 0.848 -4.637 -15.489 284 1HB ARG 30 2HB ARG 30 2.622 -5.890 -17.265 285 2HB ARG 30 3HB ARG 30 2.443 -4.168 -16.880 286 1HG ARG 30 2HG ARG 30 4.175 -4.398 -15.106 287 2HG ARG 30 3HG ARG 30 4.373 -6.108 -15.572 288 1HD ARG 30 2HD ARG 30 4.813 -5.182 -17.985 289 2HD ARG 30 3HD ARG 30 4.875 -3.599 -17.228 290 HE ARG 30 HE ARG 30 6.949 -4.033 -16.375 291 1HH1 ARG 30 2HH2 ARG 30 5.488 -7.084 -17.335 292 2HH1 ARG 30 1HH2 ARG 30 6.956 -8.012 -17.288 293 1HH2 ARG 30 2HH1 ARG 30 8.940 -5.220 -16.276 294 2HH2 ARG 30 1HH1 ARG 30 8.967 -6.915 -16.638 295 QB ARG 30 QB ARG 30 2.533 -5.029 -17.073 296 QG ARG 30 QG ARG 30 4.274 -5.253 -15.339 297 QD ARG 30 QD ARG 30 4.844 -4.390 -17.606 298 QH1 ARG 30 QH2 ARG 30 6.222 -7.548 -17.311 299 QH2 ARG 30 QH1 ARG 30 8.953 -6.067 -16.457 300 H ASP 31 HN ASP 31 -0.284 -5.679 -17.229 301 HA ASP 31 HA ASP 31 -0.532 -8.624 -17.129 302 1HB ASP 31 2HB ASP 31 -1.991 -7.981 -15.350 303 2HB ASP 31 3HB ASP 31 -2.649 -6.620 -16.257 304 QB ASP 31 QB ASP 31 -2.320 -7.300 -15.803 305 H HIS 32 HN HIS 32 -3.192 -7.010 -18.405 306 HA HIS 32 HA HIS 32 -2.617 -7.486 -21.120 307 1HB HIS 32 2HB HIS 32 -4.815 -6.582 -21.459 308 2HB HIS 32 3HB HIS 32 -4.835 -7.451 -19.942 309 HD1 HIS 32 HD1 HIS 32 -6.339 -4.495 -21.169 310 HD2 HIS 32 HD2 HIS 32 -4.117 -5.432 -17.701 311 HE1 HIS 32 HE1 HIS 32 -6.879 -2.695 -19.425 312 HE2 HIS 32 HE2 HIS 32 -5.532 -3.305 -17.322 313 QB HIS 32 QB HIS 32 -4.825 -7.017 -20.700 314 NH1 ARG 33 NH2 ARG 33 -3.989 -1.532 -28.227 315 NH2 ARG 33 NH1 ARG 33 -6.074 -1.416 -27.225 316 H ARG 33 HN ARG 33 -3.808 -4.913 -22.106 317 HA ARG 33 HA ARG 33 -1.392 -3.260 -22.393 318 1HB ARG 33 2HB ARG 33 -4.202 -2.848 -23.494 319 2HB ARG 33 3HB ARG 33 -2.752 -1.907 -23.872 320 1HG ARG 33 2HG ARG 33 -1.712 -4.129 -24.688 321 2HG ARG 33 3HG ARG 33 -3.360 -4.776 -24.665 322 1HD ARG 33 2HD ARG 33 -2.301 -2.377 -26.218 323 2HD ARG 33 3HD ARG 33 -2.810 -3.937 -26.901 324 HE ARG 33 HE ARG 33 -5.041 -2.979 -25.539 325 1HH1 ARG 33 2HH2 ARG 33 -3.051 -1.904 -28.241 326 2HH1 ARG 33 1HH2 ARG 33 -4.276 -0.915 -28.972 327 1HH2 ARG 33 2HH1 ARG 33 -6.711 -1.666 -26.480 328 2HH2 ARG 33 1HH1 ARG 33 -6.413 -0.802 -27.950 329 QB ARG 33 QB ARG 33 -3.477 -2.378 -23.683 330 QG ARG 33 QG ARG 33 -2.536 -4.452 -24.677 331 QD ARG 33 QD ARG 33 -2.555 -3.157 -26.559 332 QH1 ARG 33 QH2 ARG 33 -3.664 -1.410 -28.607 333 QH2 ARG 33 QH1 ARG 33 -6.562 -1.234 -27.215 334 H GLY 34 HN GLY 34 -2.025 -3.486 -19.805 335 1HA GLY 34 1HA GLY 34 -2.043 -0.789 -19.023 336 2HA GLY 34 2HA GLY 34 -3.616 -1.478 -18.559 337 QA GLY 34 QA GLY 34 -2.830 -1.133 -18.791 338 H THR 35 HN THR 35 -1.726 -0.660 -16.658 339 HA THR 35 HA THR 35 -0.685 -3.217 -15.565 340 HB THR 35 HB THR 35 0.907 -1.215 -16.169 341 HG1 THR 35 1HG THR 35 0.937 -2.722 -13.795 342 1HG2 THR 35 1HG2 THR 35 -0.398 0.530 -14.910 343 2HG2 THR 35 2HG2 THR 35 0.006 -0.332 -13.404 344 3HG2 THR 35 3HG2 THR 35 1.294 0.377 -14.392 345 QG2 THR 35 QG2 THR 35 0.301 0.192 -14.235 346 H ILE 36 HN ILE 36 -1.175 -3.719 -13.392 347 HA ILE 36 HA ILE 36 -3.598 -2.369 -12.403 348 HB ILE 36 HB ILE 36 -2.931 -5.014 -12.513 349 1HG1 ILE 36 2HG1 ILE 36 -4.760 -3.780 -10.417 350 2HG1 ILE 36 3HG1 ILE 36 -5.160 -3.960 -12.135 351 1HG2 ILE 36 2HG2 ILE 36 -1.171 -4.804 -10.794 352 2HG2 ILE 36 3HG2 ILE 36 -2.387 -4.234 -9.617 353 3HG2 ILE 36 1HG2 ILE 36 -2.499 -5.854 -10.302 354 1HD1 ILE 36 2HD1 ILE 36 -4.819 -6.442 -11.913 355 2HD1 ILE 36 3HD1 ILE 36 -4.689 -6.212 -10.153 356 3HD1 ILE 36 1HD1 ILE 36 -6.180 -5.778 -10.992 357 QG1 ILE 36 QG1 ILE 36 -4.960 -3.870 -11.276 358 QG2 ILE 36 QG2 ILE 36 -2.019 -4.964 -10.237 359 QD1 ILE 36 QD1 ILE 36 -5.229 -6.144 -11.019 360 H ILE 37 HN ILE 37 -3.603 -1.173 -10.535 361 HA ILE 37 HA ILE 37 -0.970 -0.502 -9.261 362 HB ILE 37 HB ILE 37 -3.368 1.240 -9.980 363 1HG1 ILE 37 2HG1 ILE 37 -2.009 0.787 -11.976 364 2HG1 ILE 37 3HG1 ILE 37 -1.964 2.477 -11.493 365 1HG2 ILE 37 2HG2 ILE 37 -2.357 1.918 -7.844 366 2HG2 ILE 37 3HG2 ILE 37 -0.801 2.162 -8.682 367 3HG2 ILE 37 1HG2 ILE 37 -2.200 3.147 -9.109 368 1HD1 ILE 37 1HD1 ILE 37 0.261 0.454 -10.960 369 2HD1 ILE 37 2HD1 ILE 37 0.233 1.690 -12.229 370 3HD1 ILE 37 3HD1 ILE 37 0.307 2.185 -10.548 371 QG1 ILE 37 QG1 ILE 37 -1.986 1.632 -11.735 372 QG2 ILE 37 QG2 ILE 37 -1.786 2.409 -8.545 373 QD1 ILE 37 QD1 ILE 37 0.267 1.443 -11.246 374 H GLU 38 HN GLU 38 -1.123 -1.374 -7.157 375 HA GLU 38 HA GLU 38 -3.801 -1.348 -5.833 376 1HB GLU 38 2HB GLU 38 -3.466 -3.484 -6.843 377 2HB GLU 38 3HB GLU 38 -1.835 -3.625 -6.230 378 1HG GLU 38 2HG GLU 38 -2.657 -3.882 -3.936 379 2HG GLU 38 3HG GLU 38 -4.326 -3.545 -4.475 380 QB GLU 38 QB GLU 38 -2.650 -3.555 -6.537 381 QG GLU 38 QG GLU 38 -3.492 -3.713 -4.205 382 NH1 ARG 39 NH2 ARG 39 -3.018 3.004 -5.270 383 NH2 ARG 39 NH1 ARG 39 -1.189 4.366 -5.286 384 H ARG 39 HN ARG 39 -3.441 -2.024 -3.385 385 HA ARG 39 HA ARG 39 -1.315 -0.487 -2.136 386 1HB ARG 39 2HB ARG 39 -2.580 1.144 -3.563 387 2HB ARG 39 3HB ARG 39 -4.080 0.707 -2.737 388 1HG ARG 39 2HG ARG 39 -3.209 1.738 -0.745 389 2HG ARG 39 3HG ARG 39 -1.596 1.939 -1.485 390 1HD ARG 39 2HD ARG 39 -4.108 3.166 -2.724 391 2HD ARG 39 3HD ARG 39 -3.159 3.925 -1.463 392 HE ARG 39 HE ARG 39 -1.474 4.441 -2.816 393 1HH1 ARG 39 2HH2 ARG 39 -3.787 2.522 -4.792 394 2HH1 ARG 39 1HH2 ARG 39 -3.035 3.040 -6.276 395 1HH2 ARG 39 2HH1 ARG 39 -0.413 4.733 -4.719 396 2HH2 ARG 39 1HH1 ARG 39 -1.558 5.251 -5.642 397 QB ARG 39 QB ARG 39 -3.330 0.925 -3.150 398 QG ARG 39 QG ARG 39 -2.403 1.839 -1.115 399 QD ARG 39 QD ARG 39 -3.634 3.546 -2.094 400 QH1 ARG 39 QH2 ARG 39 -3.411 2.781 -5.534 401 QH2 ARG 39 QH1 ARG 39 -0.986 4.992 -5.181 402 H GLY 40 HN GLY 40 -1.838 -0.094 0.215 403 1HA GLY 40 1HA GLY 40 -4.266 -0.568 1.400 404 2HA GLY 40 2HA GLY 40 -3.499 -2.161 1.409 405 QA GLY 40 QA GLY 40 -3.882 -1.364 1.404 406 H CYS 41 HN CYS 41 -3.596 -1.893 3.758 407 HA CYS 41 HA CYS 41 -1.716 0.059 4.974 408 1HB CYS 41 2HB CYS 41 -3.683 0.338 5.855 409 2HB CYS 41 3HB CYS 41 -4.177 -1.385 5.925 410 QB CYS 41 QB CYS 41 -3.930 -0.523 5.890 411 H GLY 42 HN GLY 42 -0.617 -0.667 6.813 412 1HA GLY 42 1HA GLY 42 1.065 -2.018 7.795 413 2HA GLY 42 2HA GLY 42 0.231 -3.444 7.145 414 QA GLY 42 QA GLY 42 0.648 -2.731 7.470 415 H CYS 43 HN CYS 43 2.218 -4.431 6.444 416 HA CYS 43 HA CYS 43 3.217 -3.473 3.861 417 1HB CYS 43 2HB CYS 43 4.611 -2.157 5.392 418 2HB CYS 43 3HB CYS 43 5.117 -3.647 6.205 419 QB CYS 43 QB CYS 43 4.864 -2.902 5.799 420 HA PRO 44 HA PRO 44 3.354 -8.079 4.300 421 1HB PRO 44 2HB PRO 44 1.809 -8.789 2.184 422 2HB PRO 44 3HB PRO 44 1.090 -8.132 3.675 423 1HG PRO 44 2HG PRO 44 1.762 -6.619 1.137 424 2HG PRO 44 3HG PRO 44 0.204 -6.634 2.018 425 1HD PRO 44 2HD PRO 44 2.126 -4.700 2.361 426 2HD PRO 44 3HD PRO 44 1.053 -5.214 3.701 427 QB PRO 44 QB PRO 44 1.449 -8.461 2.930 428 QG PRO 44 QG PRO 44 0.983 -6.627 1.577 429 QD PRO 44 QD PRO 44 1.589 -4.957 3.031 430 H LYS 45 HN LYS 45 3.808 -9.640 2.183 431 HA LYS 45 HA LYS 45 5.884 -8.363 0.475 432 1HB LYS 45 2HB LYS 45 6.923 -9.697 2.223 433 2HB LYS 45 3HB LYS 45 5.935 -11.094 1.815 434 1HG LYS 45 2HG LYS 45 8.193 -11.393 1.048 435 2HG LYS 45 3HG LYS 45 7.134 -11.318 -0.330 436 1HD LYS 45 2HD LYS 45 9.132 -10.102 -0.831 437 2HD LYS 45 3HD LYS 45 7.864 -8.884 -0.673 438 1HE LYS 45 2HE LYS 45 8.619 -8.335 1.617 439 2HE LYS 45 3HE LYS 45 9.824 -9.634 1.552 440 1HZ LYS 45 3HZ LYS 45 9.786 -7.241 -0.165 441 2HZ LYS 45 1HZ LYS 45 10.779 -7.498 1.117 442 3HZ LYS 45 2HZ LYS 45 10.914 -8.440 -0.221 443 QB LYS 45 QB LYS 45 6.429 -10.395 2.019 444 QG LYS 45 QG LYS 45 7.664 -11.356 0.359 445 QD LYS 45 QD LYS 45 8.498 -9.493 -0.752 446 QE LYS 45 QE LYS 45 9.221 -8.985 1.585 447 QZ LYS 45 QZ LYS 45 10.493 -7.726 0.244 448 H VAL 46 HN VAL 46 6.245 -9.714 -1.449 449 HA VAL 46 HA VAL 46 3.945 -11.240 -2.475 450 HB VAL 46 HB VAL 46 4.080 -9.940 -4.635 451 1HG1 VAL 46 2HG1 VAL 46 2.231 -9.625 -3.040 452 2HG1 VAL 46 3HG1 VAL 46 3.142 -8.327 -2.237 453 3HG1 VAL 46 1HG1 VAL 46 2.628 -8.143 -3.930 454 1HG2 VAL 46 3HG2 VAL 46 6.258 -8.799 -4.290 455 2HG2 VAL 46 1HG2 VAL 46 4.955 -7.648 -4.611 456 3HG2 VAL 46 2HG2 VAL 46 5.554 -7.852 -2.960 457 QG1 VAL 46 QG1 VAL 46 2.667 -8.698 -3.069 458 QG2 VAL 46 QG2 VAL 46 5.589 -8.100 -3.954 459 QQG VAL 46 QQG VAL 46 4.128 -8.399 -3.511 460 H LYS 47 HN LYS 47 4.540 -12.289 -4.530 461 HA LYS 47 HA LYS 47 7.220 -13.423 -4.476 462 1HB LYS 47 2HB LYS 47 4.648 -13.859 -5.866 463 2HB LYS 47 3HB LYS 47 5.944 -14.127 -6.930 464 1HG LYS 47 2HG LYS 47 6.339 -16.175 -6.026 465 2HG LYS 47 3HG LYS 47 6.574 -15.483 -4.438 466 1HD LYS 47 2HD LYS 47 4.831 -17.088 -4.240 467 2HD LYS 47 3HD LYS 47 4.165 -15.482 -3.987 468 1HE LYS 47 2HE LYS 47 2.643 -16.900 -5.292 469 2HE LYS 47 3HE LYS 47 3.135 -15.490 -6.230 470 1HZ LYS 47 3HZ LYS 47 4.288 -18.193 -6.504 471 2HZ LYS 47 1HZ LYS 47 3.172 -17.521 -7.505 472 3HZ LYS 47 2HZ LYS 47 4.678 -16.876 -7.417 473 QB LYS 47 QB LYS 47 5.296 -13.993 -6.398 474 QG LYS 47 QG LYS 47 6.456 -15.829 -5.232 475 QD LYS 47 QD LYS 47 4.498 -16.285 -4.113 476 QE LYS 47 QE LYS 47 2.889 -16.195 -5.761 477 QZ LYS 47 QZ LYS 47 4.046 -17.530 -7.142 478 HA PRO 48 HA PRO 48 9.258 -10.680 -7.093 479 1HB PRO 48 2HB PRO 48 10.723 -12.179 -8.872 480 2HB PRO 48 3HB PRO 48 11.037 -12.142 -7.115 481 1HG PRO 48 2HG PRO 48 9.566 -14.230 -8.699 482 2HG PRO 48 3HG PRO 48 10.720 -14.468 -7.358 483 1HD PRO 48 2HD PRO 48 7.962 -14.521 -7.155 484 2HD PRO 48 3HD PRO 48 8.969 -14.143 -5.756 485 QB PRO 48 QB PRO 48 10.880 -12.161 -7.993 486 QG PRO 48 QG PRO 48 10.143 -14.349 -8.029 487 QD PRO 48 QD PRO 48 8.466 -14.332 -6.456 488 H GLY 49 HN GLY 49 9.492 -9.779 -9.373 489 1HA GLY 49 1HA GLY 49 8.643 -9.199 -11.394 490 2HA GLY 49 2HA GLY 49 7.557 -10.577 -11.300 491 QA GLY 49 QA GLY 49 8.100 -9.888 -11.347 492 H VAL 50 HN VAL 50 6.490 -9.722 -8.606 493 HA VAL 50 HA VAL 50 4.629 -7.604 -9.470 494 HB VAL 50 HB VAL 50 4.733 -9.375 -6.992 495 1HG1 VAL 50 1HG1 VAL 50 2.563 -7.497 -7.986 496 2HG1 VAL 50 2HG1 VAL 50 2.407 -8.618 -6.617 497 3HG1 VAL 50 3HG1 VAL 50 3.537 -7.258 -6.524 498 1HG2 VAL 50 1HG2 VAL 50 3.001 -9.517 -9.502 499 2HG2 VAL 50 2HG2 VAL 50 4.269 -10.675 -9.044 500 3HG2 VAL 50 3HG2 VAL 50 2.809 -10.534 -8.057 501 QG1 VAL 50 QG1 VAL 50 2.836 -7.791 -7.042 502 QG2 VAL 50 QG2 VAL 50 3.360 -10.242 -8.868 503 QQG VAL 50 QQG VAL 50 3.098 -9.016 -7.955 504 H GLY 51 HN GLY 51 5.161 -5.454 -9.013 505 1HA GLY 51 1HA GLY 51 7.384 -4.944 -7.311 506 2HA GLY 51 2HA GLY 51 6.481 -3.713 -8.147 507 QA GLY 51 QA GLY 51 6.933 -4.329 -7.729 508 H ILE 52 HN ILE 52 7.275 -3.345 -5.659 509 HA ILE 52 HA ILE 52 4.848 -2.870 -4.193 510 HB ILE 52 HB ILE 52 5.183 -5.189 -3.539 511 1HG1 ILE 52 2HG1 ILE 52 5.979 -3.373 -1.222 512 2HG1 ILE 52 3HG1 ILE 52 4.341 -3.502 -1.887 513 1HG2 ILE 52 2HG2 ILE 52 7.625 -5.351 -3.963 514 2HG2 ILE 52 3HG2 ILE 52 7.938 -4.394 -2.502 515 3HG2 ILE 52 1HG2 ILE 52 7.179 -5.989 -2.388 516 1HD1 ILE 52 3HD1 ILE 52 4.385 -5.966 -1.320 517 2HD1 ILE 52 1HD1 ILE 52 5.944 -5.688 -0.514 518 3HD1 ILE 52 2HD1 ILE 52 4.492 -4.869 0.069 519 QG1 ILE 52 QG1 ILE 52 5.160 -3.438 -1.555 520 QG2 ILE 52 QG2 ILE 52 7.581 -5.245 -2.951 521 QD1 ILE 52 QD1 ILE 52 4.940 -5.508 -0.589 522 H HIS 53 HN HIS 53 5.104 -1.268 -2.597 523 HA HIS 53 HA HIS 53 7.801 -0.448 -1.745 524 1HB HIS 53 2HB HIS 53 6.982 0.967 -3.766 525 2HB HIS 53 3HB HIS 53 5.740 1.595 -2.688 526 HD1 HIS 53 HD1 HIS 53 7.397 2.487 -0.125 527 HD2 HIS 53 HD2 HIS 53 8.607 2.863 -4.170 528 HE1 HIS 53 HE1 HIS 53 9.065 4.394 -0.211 529 HE2 HIS 53 HE2 HIS 53 9.808 4.628 -2.664 530 QB HIS 53 QB HIS 53 6.361 1.281 -3.227 531 H CYS 54 HN CYS 54 7.640 0.234 0.483 532 HA CYS 54 HA CYS 54 4.892 0.479 1.636 533 1HB CYS 54 2HB CYS 54 7.368 -0.712 2.903 534 2HB CYS 54 3HB CYS 54 5.884 -0.298 3.768 535 QB CYS 54 QB CYS 54 6.626 -0.505 3.335 536 H CYS 55 HN CYS 55 4.795 1.984 3.592 537 HA CYS 55 HA CYS 55 6.970 3.834 3.942 538 1HB CYS 55 2HB CYS 55 5.610 5.814 3.333 539 2HB CYS 55 3HB CYS 55 6.144 4.855 1.974 540 QB CYS 55 QB CYS 55 5.877 5.335 2.654 541 H GLN 56 HN GLN 56 6.392 5.406 5.552 542 HA GLN 56 HA GLN 56 4.259 4.474 7.442 543 1HB GLN 56 2HB GLN 56 5.862 4.561 9.268 544 2HB GLN 56 3HB GLN 56 6.298 3.349 8.075 545 1HG GLN 56 2HG GLN 56 7.576 6.120 8.035 546 2HG GLN 56 3HG GLN 56 8.143 4.859 9.116 547 1HE2 GLN 56 2HE2 GLN 56 9.760 2.964 6.604 548 2HE2 GLN 56 1HE2 GLN 56 9.178 2.971 8.252 549 QB GLN 56 QB GLN 56 6.080 3.955 8.671 550 QG GLN 56 QG GLN 56 7.860 5.489 8.576 551 QE2 GLN 56 QE2 GLN 56 9.469 2.967 7.428 552 H SER 57 HN SER 57 3.381 6.526 6.189 553 HA SER 57 HA SER 57 3.183 8.349 8.436 554 1HB SER 57 2HB SER 57 4.180 9.387 5.762 555 2HB SER 57 3HB SER 57 3.366 10.408 6.955 556 HG SER 57 HG SER 57 5.452 8.780 7.874 557 QB SER 57 QB SER 57 3.773 9.898 6.359 558 H ASP 58 HN ASP 58 1.254 9.769 8.222 559 HA ASP 58 HA ASP 58 -0.962 8.324 7.128 560 1HB ASP 58 2HB ASP 58 -1.377 9.797 8.992 561 2HB ASP 58 3HB ASP 58 -0.718 11.192 8.109 562 QB ASP 58 QB ASP 58 -1.047 10.494 8.550 563 H LYS 59 HN LYS 59 -2.182 8.995 5.311 564 HA LYS 59 HA LYS 59 -2.213 9.002 2.972 565 1HB LYS 59 2HB LYS 59 -1.151 11.819 3.512 566 2HB LYS 59 3HB LYS 59 -2.181 11.317 2.176 567 1HG LYS 59 2HG LYS 59 -3.856 10.569 4.072 568 2HG LYS 59 3HG LYS 59 -2.852 11.622 5.090 569 1HD LYS 59 2HD LYS 59 -3.225 13.512 3.555 570 2HD LYS 59 3HD LYS 59 -4.295 12.491 2.563 571 1HE LYS 59 2HE LYS 59 -5.792 12.132 4.520 572 2HE LYS 59 3HE LYS 59 -4.704 13.077 5.550 573 1HZ LYS 59 3HZ LYS 59 -5.184 14.999 4.198 574 2HZ LYS 59 1HZ LYS 59 -6.202 14.127 3.238 575 3HZ LYS 59 2HZ LYS 59 -6.566 14.368 4.822 576 QB LYS 59 QB LYS 59 -1.666 11.568 2.844 577 QG LYS 59 QG LYS 59 -3.354 11.095 4.581 578 QD LYS 59 QD LYS 59 -3.760 13.001 3.059 579 QE LYS 59 QE LYS 59 -5.248 12.605 5.035 580 QZ LYS 59 QZ LYS 59 -5.984 14.498 4.086 581 H CYS 60 HN CYS 60 0.543 8.085 3.974 582 HA CYS 60 HA CYS 60 2.400 9.285 2.158 583 1HB CYS 60 2HB CYS 60 3.971 7.686 2.873 584 2HB CYS 60 3HB CYS 60 2.994 8.154 4.251 585 QB CYS 60 QB CYS 60 3.482 7.920 3.562 586 H ASN 61 HN ASN 61 0.261 6.458 1.860 587 HA ASN 61 HA ASN 61 1.670 5.601 -0.557 588 1HB ASN 61 2HB ASN 61 0.548 3.551 -0.340 589 2HB ASN 61 3HB ASN 61 1.112 3.989 1.273 590 1HD2 ASN 61 2HD2 ASN 61 -2.567 2.805 1.076 591 2HD2 ASN 61 1HD2 ASN 61 -1.008 2.085 0.636 592 QB ASN 61 QB ASN 61 0.830 3.770 0.467 593 QD2 ASN 61 QD2 ASN 61 -1.787 2.445 0.856 594 OH TYR 62 OH TYR 62 -4.597 12.330 -6.054 595 H TYR 62 HN TYR 62 0.549 7.947 -1.329 596 HA TYR 62 HA TYR 62 -2.165 7.641 -2.320 597 1HB TYR 62 2HB TYR 62 -0.955 9.829 -1.969 598 2HB TYR 62 3HB TYR 62 0.022 9.396 -3.367 599 HD1 TYR 62 HD1 TYR 62 -3.553 9.787 -2.435 600 HD2 TYR 62 HD2 TYR 62 -0.537 10.387 -5.418 601 HE1 TYR 62 HE1 TYR 62 -5.161 11.129 -3.755 602 HE2 TYR 62 HE2 TYR 62 -2.116 11.769 -6.730 603 HH TYR 62 HH TYR 62 -5.428 12.500 -5.608 604 QB TYR 62 QB TYR 62 -0.467 9.612 -2.668 605 QR TYR 62 QR TYR 62 -2.842 10.768 -4.584 Start of MODEL 6 Raw file had 605 H/Q atoms Start of MODEL 6 1 NH1 ARG 1 NH2 ARG 1 2.211 7.873 10.111 2 NH2 ARG 1 NH1 ARG 1 3.514 5.975 9.805 3 H ARG 1 HN ARG 1 -4.125 3.753 11.894 4 HA ARG 1 HA ARG 1 -2.715 6.269 11.215 5 1HB ARG 1 2HB ARG 1 -1.286 4.153 11.207 6 2HB ARG 1 3HB ARG 1 -2.370 3.507 9.969 7 1HG ARG 1 2HG ARG 1 -0.433 4.262 8.878 8 2HG ARG 1 3HG ARG 1 -1.671 5.396 8.453 9 1HD ARG 1 2HD ARG 1 -0.290 7.037 9.151 10 2HD ARG 1 3HD ARG 1 -0.472 6.496 10.828 11 HE ARG 1 HE ARG 1 1.408 4.805 9.603 12 1HH1 ARG 1 2HH2 ARG 1 1.299 8.305 10.123 13 2HH1 ARG 1 1HH2 ARG 1 3.029 8.456 10.209 14 1HH2 ARG 1 2HH1 ARG 1 3.548 4.968 9.624 15 2HH2 ARG 1 1HH1 ARG 1 4.367 6.510 9.629 16 QB ARG 1 QB ARG 1 -1.828 3.830 10.588 17 QG ARG 1 QG ARG 1 -1.052 4.829 8.666 18 QD ARG 1 QD ARG 1 -0.381 6.767 9.989 19 QH1 ARG 1 QH2 ARG 1 2.164 8.381 10.166 20 QH2 ARG 1 QH1 ARG 1 3.957 5.739 9.626 21 H ILE 2 HN ILE 2 -3.091 6.867 8.808 22 HA ILE 2 HA ILE 2 -5.602 5.752 7.701 23 HB ILE 2 HB ILE 2 -4.689 8.650 7.578 24 1HG1 ILE 2 2HG1 ILE 2 -7.147 8.938 8.452 25 2HG1 ILE 2 3HG1 ILE 2 -7.019 7.267 8.986 26 1HG2 ILE 2 1HG2 ILE 2 -7.054 7.265 6.253 27 2HG2 ILE 2 2HG2 ILE 2 -6.730 9.009 6.228 28 3HG2 ILE 2 3HG2 ILE 2 -5.623 7.907 5.421 29 1HD1 ILE 2 2HD1 ILE 2 -5.168 9.558 9.802 30 2HD1 ILE 2 3HD1 ILE 2 -6.561 8.982 10.737 31 3HD1 ILE 2 1HD1 ILE 2 -5.168 7.926 10.508 32 QG1 ILE 2 QG1 ILE 2 -7.083 8.102 8.719 33 QG2 ILE 2 QG2 ILE 2 -6.469 8.060 5.967 34 QD1 ILE 2 QD1 ILE 2 -5.632 8.822 10.349 35 H CYS 3 HN CYS 3 -5.467 5.140 5.598 36 HA CYS 3 HA CYS 3 -2.910 5.607 4.120 37 1HB CYS 3 2HB CYS 3 -4.306 2.946 4.573 38 2HB CYS 3 3HB CYS 3 -3.007 3.216 3.420 39 QB CYS 3 QB CYS 3 -3.656 3.081 3.997 40 OH TYR 4 OH TYR 4 -4.158 11.730 -0.909 41 H TYR 4 HN TYR 4 -3.177 5.234 1.819 42 HA TYR 4 HA TYR 4 -5.805 6.006 0.737 43 1HB TYR 4 2HB TYR 4 -3.015 5.709 -0.360 44 2HB TYR 4 3HB TYR 4 -4.368 5.650 -1.440 45 HD1 TYR 4 HD1 TYR 4 -6.078 7.650 -1.387 46 HD2 TYR 4 HD2 TYR 4 -2.051 7.836 0.131 47 HE1 TYR 4 HE1 TYR 4 -6.153 10.101 -1.525 48 HE2 TYR 4 HE2 TYR 4 -2.095 10.312 -0.159 49 HH TYR 4 HH TYR 4 -4.943 12.074 -1.341 50 QB TYR 4 QB TYR 4 -3.691 5.679 -0.900 51 QR TYR 4 QR TYR 4 -4.094 8.975 -0.735 52 H ASN 5 HN ASN 5 -7.127 4.722 -0.470 53 HA ASN 5 HA ASN 5 -6.349 1.915 -1.021 54 1HB ASN 5 2HB ASN 5 -8.119 0.946 0.145 55 2HB ASN 5 3HB ASN 5 -7.375 2.061 1.300 56 1HD2 ASN 5 2HD2 ASN 5 -11.272 2.304 0.839 57 2HD2 ASN 5 1HD2 ASN 5 -10.235 0.893 0.833 58 QB ASN 5 QB ASN 5 -7.747 1.503 0.723 59 QD2 ASN 5 QD2 ASN 5 -10.753 1.598 0.836 60 H HIS 6 HN HIS 6 -6.453 3.733 -2.913 61 HA HIS 6 HA HIS 6 -9.034 3.388 -4.388 62 1HB HIS 6 2HB HIS 6 -8.224 5.123 -5.943 63 2HB HIS 6 3HB HIS 6 -8.602 5.675 -4.323 64 HD1 HIS 6 HD1 HIS 6 -6.182 6.476 -6.836 65 HD2 HIS 6 HD2 HIS 6 -6.177 5.782 -2.693 66 HE1 HIS 6 HE1 HIS 6 -3.982 7.571 -5.864 67 HE2 HIS 6 HE2 HIS 6 -3.967 7.047 -3.410 68 QB HIS 6 QB HIS 6 -8.413 5.399 -5.133 69 H GLN 7 HN GLN 7 -8.796 2.701 -6.687 70 HA GLN 7 HA GLN 7 -6.749 0.579 -6.712 71 1HB GLN 7 2HB GLN 7 -8.855 0.733 -8.834 72 2HB GLN 7 3HB GLN 7 -8.168 -0.625 -7.962 73 1HG GLN 7 2HG GLN 7 -10.337 1.263 -7.026 74 2HG GLN 7 3HG GLN 7 -10.467 -0.463 -7.362 75 1HE2 GLN 7 2HE2 GLN 7 -10.007 0.410 -3.604 76 2HE2 GLN 7 1HE2 GLN 7 -11.058 1.097 -4.824 77 QB GLN 7 QB GLN 7 -8.511 0.054 -8.398 78 QG GLN 7 QG GLN 7 -10.402 0.400 -7.194 79 QE2 GLN 7 QE2 GLN 7 -10.533 0.753 -4.214 80 H SER 8 HN SER 8 -6.313 0.076 -9.275 81 HA SER 8 HA SER 8 -4.626 2.063 -10.326 82 1HB SER 8 2HB SER 8 -5.106 -0.519 -10.977 83 2HB SER 8 3HB SER 8 -6.141 0.227 -12.196 84 HG SER 8 HG SER 8 -4.316 1.480 -12.836 85 QB SER 8 QB SER 8 -5.623 -0.146 -11.587 86 H THR 9 HN THR 9 -4.984 3.923 -11.404 87 HA THR 9 HA THR 9 -6.101 5.678 -12.362 88 HB THR 9 HB THR 9 -7.273 4.785 -14.550 89 HG1 THR 9 1HG THR 9 -7.458 2.615 -13.592 90 1HG2 THR 9 1HG2 THR 9 -4.355 4.175 -13.931 91 2HG2 THR 9 2HG2 THR 9 -5.079 4.326 -15.546 92 3HG2 THR 9 3HG2 THR 9 -5.011 5.732 -14.478 93 QG2 THR 9 QG2 THR 9 -4.815 4.744 -14.652 94 H THR 10 HN THR 10 -7.500 4.987 -10.049 95 HA THR 10 HA THR 10 -10.263 5.764 -10.836 96 HB THR 10 HB THR 10 -10.915 4.151 -8.854 97 HG1 THR 10 1HG THR 10 -8.635 2.850 -9.892 98 1HG2 THR 10 2HG2 THR 10 -10.143 3.066 -11.603 99 2HG2 THR 10 3HG2 THR 10 -11.192 2.263 -10.423 100 3HG2 THR 10 1HG2 THR 10 -11.695 3.799 -11.158 101 QG2 THR 10 QG2 THR 10 -11.010 3.043 -11.061 102 NH1 ARG 11 NH2 ARG 11 -14.346 8.581 -3.970 103 NH2 ARG 11 NH1 ARG 11 -16.097 7.317 -4.808 104 H ARG 11 HN ARG 11 -11.489 6.684 -9.181 105 HA ARG 11 HA ARG 11 -10.370 8.938 -8.158 106 1HB ARG 11 2HB ARG 11 -12.773 8.588 -8.536 107 2HB ARG 11 3HB ARG 11 -12.838 7.459 -7.165 108 1HG ARG 11 2HG ARG 11 -12.247 9.291 -5.613 109 2HG ARG 11 3HG ARG 11 -12.049 10.403 -6.965 110 1HD ARG 11 2HD ARG 11 -14.227 10.725 -5.812 111 2HD ARG 11 3HD ARG 11 -14.389 10.304 -7.512 112 HE ARG 11 HE ARG 11 -15.556 8.460 -6.964 113 1HH1 ARG 11 2HH2 ARG 11 -13.577 9.220 -4.122 114 2HH1 ARG 11 1HH2 ARG 11 -14.455 8.185 -3.050 115 1HH2 ARG 11 2HH1 ARG 11 -16.707 7.052 -5.569 116 2HH2 ARG 11 1HH1 ARG 11 -16.253 6.890 -3.907 117 QB ARG 11 QB ARG 11 -12.805 8.023 -7.850 118 QG ARG 11 QG ARG 11 -12.148 9.847 -6.289 119 QD ARG 11 QD ARG 11 -14.308 10.514 -6.662 120 QH1 ARG 11 QH2 ARG 11 -14.016 8.702 -3.586 121 QH2 ARG 11 QH1 ARG 11 -16.480 6.971 -4.738 122 H ALA 12 HN ALA 12 -9.499 9.657 -6.290 123 HA ALA 12 HA ALA 12 -8.153 7.977 -4.510 124 1HB ALA 12 1HB ALA 12 -7.535 10.295 -4.911 125 2HB ALA 12 2HB ALA 12 -9.037 10.857 -4.133 126 3HB ALA 12 3HB ALA 12 -7.802 10.007 -3.181 127 QB ALA 12 QB ALA 12 -8.125 10.387 -4.075 128 H THR 13 HN THR 13 -8.582 7.076 -2.573 129 HA THR 13 HA THR 13 -10.840 7.843 -0.892 130 HB THR 13 HB THR 13 -11.081 5.264 -0.502 131 HG1 THR 13 1HG THR 13 -10.211 3.986 -2.016 132 1HG2 THR 13 2HG2 THR 13 -12.892 6.618 -1.406 133 2HG2 THR 13 3HG2 THR 13 -12.234 6.436 -3.054 134 3HG2 THR 13 1HG2 THR 13 -12.828 5.016 -2.166 135 QG2 THR 13 QG2 THR 13 -12.651 6.023 -2.209 136 H THR 14 HN THR 14 -10.233 7.511 1.283 137 HA THR 14 HA THR 14 -7.715 6.112 1.822 138 HB THR 14 HB THR 14 -7.163 7.762 3.585 139 HG1 THR 14 1HG THR 14 -9.469 8.721 3.296 140 1HG2 THR 14 1HG2 THR 14 -7.238 8.905 0.764 141 2HG2 THR 14 2HG2 THR 14 -6.312 9.618 2.087 142 3HG2 THR 14 3HG2 THR 14 -5.913 8.000 1.542 143 QG2 THR 14 QG2 THR 14 -6.488 8.841 1.464 144 H LYS 15 HN LYS 15 -7.763 5.040 3.856 145 HA LYS 15 HA LYS 15 -10.203 5.274 5.489 146 1HB LYS 15 2HB LYS 15 -9.247 2.707 4.143 147 2HB LYS 15 3HB LYS 15 -10.209 2.705 5.609 148 1HG LYS 15 2HG LYS 15 -11.963 4.113 4.396 149 2HG LYS 15 3HG LYS 15 -11.014 3.872 2.936 150 1HD LYS 15 2HD LYS 15 -12.809 2.246 2.952 151 2HD LYS 15 3HD LYS 15 -11.253 1.433 3.104 152 1HE LYS 15 2HE LYS 15 -13.005 0.409 4.483 153 2HE LYS 15 3HE LYS 15 -11.587 0.893 5.407 154 1HZ LYS 15 3HZ LYS 15 -14.100 2.434 5.254 155 2HZ LYS 15 1HZ LYS 15 -13.661 1.443 6.485 156 3HZ LYS 15 2HZ LYS 15 -12.787 2.797 6.180 157 QB LYS 15 QB LYS 15 -9.728 2.706 4.876 158 QG LYS 15 QG LYS 15 -11.489 3.992 3.666 159 QD LYS 15 QD LYS 15 -12.031 1.840 3.028 160 QE LYS 15 QE LYS 15 -12.296 0.651 4.945 161 QZ LYS 15 QZ LYS 15 -13.516 2.225 5.973 162 H SER 16 HN SER 16 -9.890 4.167 7.571 163 HA SER 16 HA SER 16 -7.174 4.657 8.512 164 1HB SER 16 2HB SER 16 -9.143 5.525 9.762 165 2HB SER 16 3HB SER 16 -9.552 3.847 10.191 166 HG SER 16 HG SER 16 -6.965 4.940 10.633 167 QB SER 16 QB SER 16 -9.348 4.686 9.976 168 H CYS 17 HN CYS 17 -5.953 3.134 9.669 169 HA CYS 17 HA CYS 17 -6.627 0.271 9.716 170 1HB CYS 17 2HB CYS 17 -4.607 1.355 7.870 171 2HB CYS 17 3HB CYS 17 -4.335 -0.156 8.752 172 QB CYS 17 QB CYS 17 -4.471 0.600 8.311 173 H GLU 20 HN GLU 20 -4.961 -0.832 11.145 174 HA GLU 20 HA GLU 20 -4.349 1.035 13.324 175 1HB GLU 20 2HB GLU 20 -3.881 -0.989 14.610 176 2HB GLU 20 3HB GLU 20 -5.494 -0.960 13.891 177 1HG GLU 20 2HG GLU 20 -4.727 -2.543 12.113 178 2HG GLU 20 3HG GLU 20 -3.136 -2.603 12.892 179 QB GLU 20 QB GLU 20 -4.687 -0.975 14.250 180 QG GLU 20 QG GLU 20 -3.931 -2.573 12.503 181 H GLU 21 HN GLU 21 -2.625 -1.042 11.011 182 HA GLU 21 HA GLU 21 -0.104 -0.987 12.116 183 1HB GLU 21 2HB GLU 21 -0.620 -0.811 9.127 184 2HB GLU 21 3HB GLU 21 0.754 -1.546 9.962 185 1HG GLU 21 2HG GLU 21 -0.399 -3.456 9.496 186 2HG GLU 21 3HG GLU 21 -1.155 -3.087 11.041 187 QB GLU 21 QB GLU 21 0.067 -1.178 9.545 188 QG GLU 21 QG GLU 21 -0.777 -3.271 10.269 189 H ASN 22 HN ASN 22 1.785 0.196 11.755 190 HA ASN 22 HA ASN 22 1.458 3.068 11.490 191 1HB ASN 22 2HB ASN 22 3.888 3.139 11.832 192 2HB ASN 22 3HB ASN 22 3.088 2.122 13.038 193 1HD2 ASN 22 2HD2 ASN 22 5.794 0.448 10.474 194 2HD2 ASN 22 1HD2 ASN 22 5.363 2.147 10.325 195 QB ASN 22 QB ASN 22 3.488 2.631 12.435 196 QD2 ASN 22 QD2 ASN 22 5.578 1.298 10.399 197 H SER 23 HN SER 23 2.412 0.407 9.259 198 HA SER 23 HA SER 23 3.503 2.309 7.315 199 1HB SER 23 2HB SER 23 3.640 -0.068 6.119 200 2HB SER 23 3HB SER 23 4.799 0.456 7.342 201 HG SER 23 HG SER 23 3.990 -1.635 7.844 202 QB SER 23 QB SER 23 4.220 0.194 6.731 203 H CYS 24 HN CYS 24 2.853 2.195 5.138 204 HA CYS 24 HA CYS 24 0.236 0.971 4.534 205 1HB CYS 24 2HB CYS 24 1.092 3.587 3.297 206 2HB CYS 24 3HB CYS 24 -0.429 2.743 3.059 207 QB CYS 24 QB CYS 24 0.332 3.165 3.178 208 OH TYR 25 OH TYR 25 -2.848 -4.133 -0.032 209 H TYR 25 HN TYR 25 0.167 0.426 2.144 210 HA TYR 25 HA TYR 25 2.827 0.425 0.874 211 1HB TYR 25 2HB TYR 25 2.871 -1.888 0.448 212 2HB TYR 25 3HB TYR 25 2.435 -1.766 2.137 213 HD1 TYR 25 HD1 TYR 25 1.269 -2.645 -1.268 214 HD2 TYR 25 HD2 TYR 25 0.168 -2.420 2.885 215 HE1 TYR 25 HE1 TYR 25 -0.935 -3.652 -1.793 216 HE2 TYR 25 HE2 TYR 25 -1.969 -3.580 2.370 217 HH TYR 25 HH TYR 25 -3.081 -4.017 -0.973 218 QB TYR 25 QB TYR 25 2.653 -1.827 1.293 219 QR TYR 25 QR TYR 25 -0.367 -3.074 0.549 220 H LYS 26 HN LYS 26 2.852 -0.087 -1.313 221 HA LYS 26 HA LYS 26 0.308 0.160 -2.745 222 1HB LYS 26 2HB LYS 26 2.214 2.241 -2.768 223 2HB LYS 26 3HB LYS 26 2.571 1.332 -4.255 224 1HG LYS 26 2HG LYS 26 0.124 1.409 -4.827 225 2HG LYS 26 3HG LYS 26 -0.141 2.269 -3.285 226 1HD LYS 26 2HD LYS 26 -0.289 3.825 -5.038 227 2HD LYS 26 3HD LYS 26 1.092 4.186 -4.025 228 1HE LYS 26 2HE LYS 26 1.798 2.505 -6.384 229 2HE LYS 26 3HE LYS 26 0.972 4.004 -6.840 230 1HZ LYS 26 2HZ LYS 26 2.505 5.239 -5.530 231 2HZ LYS 26 3HZ LYS 26 3.380 3.872 -5.188 232 3HZ LYS 26 1HZ LYS 26 3.272 4.411 -6.742 233 QB LYS 26 QB LYS 26 2.392 1.786 -3.511 234 QG LYS 26 QG LYS 26 -0.008 1.839 -4.056 235 QD LYS 26 QD LYS 26 0.402 4.005 -4.532 236 QE LYS 26 QE LYS 26 1.385 3.254 -6.612 237 QZ LYS 26 QZ LYS 26 3.052 4.508 -5.820 238 H LYS 27 HN LYS 27 0.033 -1.372 -4.181 239 HA LYS 27 HA LYS 27 2.241 -3.231 -4.846 240 1HB LYS 27 2HB LYS 27 -0.651 -3.527 -4.097 241 2HB LYS 27 3HB LYS 27 -0.218 -4.409 -5.547 242 1HG LYS 27 2HG LYS 27 1.033 -4.800 -2.814 243 2HG LYS 27 3HG LYS 27 -0.037 -5.896 -3.703 244 1HD LYS 27 2HD LYS 27 1.974 -5.325 -5.564 245 2HD LYS 27 3HD LYS 27 2.863 -5.384 -4.021 246 1HE LYS 27 2HE LYS 27 1.747 -7.722 -3.760 247 2HE LYS 27 3HE LYS 27 1.206 -7.504 -5.432 248 1HZ LYS 27 2HZ LYS 27 3.713 -6.959 -5.812 249 2HZ LYS 27 3HZ LYS 27 3.964 -7.780 -4.454 250 3HZ LYS 27 1HZ LYS 27 3.251 -8.532 -5.707 251 QB LYS 27 QB LYS 27 -0.434 -3.968 -4.822 252 QG LYS 27 QG LYS 27 0.498 -5.348 -3.259 253 QD LYS 27 QD LYS 27 2.418 -5.354 -4.793 254 QE LYS 27 QE LYS 27 1.477 -7.613 -4.596 255 QZ LYS 27 QZ LYS 27 3.643 -7.757 -5.324 256 OH TYR 28 OH TYR 28 7.407 -0.988 -6.719 257 H TYR 28 HN TYR 28 2.601 -3.600 -7.152 258 HA TYR 28 HA TYR 28 0.585 -2.801 -8.997 259 1HB TYR 28 2HB TYR 28 2.294 -1.303 -10.098 260 2HB TYR 28 3HB TYR 28 1.550 -0.619 -8.651 261 HD1 TYR 28 HD2 TYR 28 2.888 -0.388 -6.547 262 HD2 TYR 28 HD1 TYR 28 4.650 -1.838 -10.207 263 HE1 TYR 28 HE2 TYR 28 5.126 -0.301 -5.502 264 HE2 TYR 28 HE1 TYR 28 6.901 -1.666 -9.187 265 HH TYR 28 HH TYR 28 7.419 -1.121 -5.764 266 QB TYR 28 QB TYR 28 1.922 -0.961 -9.375 267 QR TYR 28 QR TYR 28 4.891 -1.048 -7.861 268 CH2 TRP 29 CH2 TRP 29 -2.531 -7.100 -8.701 269 H TRP 29 HN TRP 29 1.033 -3.693 -11.117 270 HA TRP 29 HA TRP 29 3.548 -4.836 -11.771 271 1HB TRP 29 2HB TRP 29 2.887 -7.070 -11.956 272 2HB TRP 29 3HB TRP 29 2.733 -6.603 -10.269 273 HD1 TRP 29 HD1 TRP 29 0.943 -8.235 -13.077 274 HE1 TRP 29 HE1 TRP 29 -1.424 -8.824 -12.493 275 HE3 TRP 29 HE3 TRP 29 0.581 -5.687 -8.637 276 HZ2 TRP 29 HZ2 TRP 29 -3.265 -8.384 -10.285 277 HZ3 TRP 29 HZ3 TRP 29 -1.502 -5.817 -7.305 278 HH2 TRP 29 HH2 TRP 29 -3.441 -7.147 -8.123 279 QB TRP 29 QB TRP 29 2.810 -6.836 -11.112 280 NH1 ARG 30 NH2 ARG 30 6.982 -2.443 -17.621 281 NH2 ARG 30 NH1 ARG 30 7.650 -3.219 -15.539 282 H ARG 30 HN ARG 30 2.811 -6.241 -14.088 283 HA ARG 30 HA ARG 30 0.730 -4.629 -15.457 284 1HB ARG 30 2HB ARG 30 3.467 -5.614 -16.267 285 2HB ARG 30 3HB ARG 30 2.255 -5.221 -17.436 286 1HG ARG 30 2HG ARG 30 2.175 -2.932 -16.881 287 2HG ARG 30 3HG ARG 30 3.028 -3.148 -15.342 288 1HD ARG 30 2HD ARG 30 4.352 -3.728 -18.020 289 2HD ARG 30 3HD ARG 30 4.278 -2.090 -17.318 290 HE ARG 30 HE ARG 30 5.233 -3.939 -15.357 291 1HH1 ARG 30 2HH2 ARG 30 6.255 -2.336 -18.312 292 2HH1 ARG 30 1HH2 ARG 30 7.910 -2.112 -17.840 293 1HH2 ARG 30 2HH1 ARG 30 7.435 -3.654 -14.652 294 2HH2 ARG 30 1HH1 ARG 30 8.597 -2.909 -15.700 295 QB ARG 30 QB ARG 30 2.861 -5.418 -16.851 296 QG ARG 30 QG ARG 30 2.601 -3.040 -16.112 297 QD ARG 30 QD ARG 30 4.315 -2.909 -17.669 298 QH1 ARG 30 QH2 ARG 30 7.082 -2.224 -18.076 299 QH2 ARG 30 QH1 ARG 30 8.016 -3.282 -15.176 300 H ASP 31 HN ASP 31 -0.409 -5.798 -16.940 301 HA ASP 31 HA ASP 31 -0.158 -8.715 -17.228 302 1HB ASP 31 2HB ASP 31 -2.274 -7.456 -15.424 303 2HB ASP 31 3HB ASP 31 -2.748 -8.806 -16.457 304 QB ASP 31 QB ASP 31 -2.511 -8.131 -15.941 305 H HIS 32 HN HIS 32 -3.060 -6.821 -17.301 306 HA HIS 32 HA HIS 32 -3.022 -6.447 -20.237 307 1HB HIS 32 2HB HIS 32 -4.441 -8.389 -19.745 308 2HB HIS 32 3HB HIS 32 -5.326 -7.480 -18.517 309 HD1 HIS 32 HD1 HIS 32 -5.146 -8.050 -22.276 310 HD2 HIS 32 HD2 HIS 32 -7.237 -5.785 -19.388 311 HE1 HIS 32 HE1 HIS 32 -7.259 -7.150 -23.436 312 HE2 HIS 32 HE2 HIS 32 -8.512 -5.762 -21.675 313 QB HIS 32 QB HIS 32 -4.883 -7.935 -19.131 314 NH1 ARG 33 NH2 ARG 33 -4.207 -1.491 -15.269 315 NH2 ARG 33 NH1 ARG 33 -4.414 0.771 -15.523 316 H ARG 33 HN ARG 33 -4.598 -4.691 -20.664 317 HA ARG 33 HA ARG 33 -4.693 -2.456 -20.650 318 1HB ARG 33 2HB ARG 33 -6.052 -1.362 -19.001 319 2HB ARG 33 3HB ARG 33 -6.780 -2.891 -19.483 320 1HG ARG 33 2HG ARG 33 -6.480 -3.874 -17.423 321 2HG ARG 33 3HG ARG 33 -5.016 -2.970 -17.093 322 1HD ARG 33 2HD ARG 33 -7.776 -1.742 -16.968 323 2HD ARG 33 3HD ARG 33 -6.929 -2.400 -15.575 324 HE ARG 33 HE ARG 33 -6.577 0.182 -16.691 325 1HH1 ARG 33 2HH2 ARG 33 -4.536 -2.437 -15.362 326 2HH1 ARG 33 1HH2 ARG 33 -3.257 -1.322 -14.952 327 1HH2 ARG 33 2HH1 ARG 33 -4.951 1.602 -15.733 328 2HH2 ARG 33 1HH1 ARG 33 -3.474 0.849 -15.142 329 QB ARG 33 QB ARG 33 -6.416 -2.127 -19.242 330 QG ARG 33 QG ARG 33 -5.748 -3.422 -17.258 331 QD ARG 33 QD ARG 33 -7.352 -2.071 -16.272 332 QH1 ARG 33 QH2 ARG 33 -3.897 -1.879 -15.157 333 QH2 ARG 33 QH1 ARG 33 -4.212 1.226 -15.438 334 H GLY 34 HN GLY 34 -2.069 -3.560 -19.558 335 1HA GLY 34 1HA GLY 34 -0.111 -2.255 -19.365 336 2HA GLY 34 2HA GLY 34 -1.090 -0.839 -18.983 337 QA GLY 34 QA GLY 34 -0.601 -1.547 -19.174 338 H THR 35 HN THR 35 0.395 -0.475 -17.235 339 HA THR 35 HA THR 35 0.697 -2.413 -15.157 340 HB THR 35 HB THR 35 2.245 -0.466 -15.641 341 HG1 THR 35 1HG THR 35 1.466 -1.171 -13.014 342 1HG2 THR 35 2HG2 THR 35 0.562 1.365 -15.508 343 2HG2 THR 35 3HG2 THR 35 0.371 1.044 -13.767 344 3HG2 THR 35 1HG2 THR 35 1.935 1.584 -14.403 345 QG2 THR 35 QG2 THR 35 0.956 1.331 -14.559 346 H ILE 36 HN ILE 36 -0.370 -2.738 -13.281 347 HA ILE 36 HA ILE 36 -2.925 -1.314 -12.836 348 HB ILE 36 HB ILE 36 -2.684 -3.914 -13.301 349 1HG1 ILE 36 2HG1 ILE 36 -4.438 -2.972 -10.995 350 2HG1 ILE 36 3HG1 ILE 36 -4.750 -2.562 -12.685 351 1HG2 ILE 36 3HG2 ILE 36 -1.020 -4.351 -11.523 352 2HG2 ILE 36 1HG2 ILE 36 -2.235 -3.917 -10.296 353 3HG2 ILE 36 2HG2 ILE 36 -2.490 -5.307 -11.365 354 1HD1 ILE 36 1HD1 ILE 36 -4.856 -4.978 -13.265 355 2HD1 ILE 36 2HD1 ILE 36 -4.734 -5.374 -11.536 356 3HD1 ILE 36 3HD1 ILE 36 -6.116 -4.447 -12.135 357 QG1 ILE 36 QG1 ILE 36 -4.594 -2.767 -11.840 358 QG2 ILE 36 QG2 ILE 36 -1.915 -4.525 -11.061 359 QD1 ILE 36 QD1 ILE 36 -5.235 -4.933 -12.312 360 H ILE 37 HN ILE 37 -3.135 -0.272 -10.876 361 HA ILE 37 HA ILE 37 -0.991 -0.674 -8.830 362 HB ILE 37 HB ILE 37 -2.964 1.608 -8.893 363 1HG1 ILE 37 2HG1 ILE 37 -1.701 1.827 -10.982 364 2HG1 ILE 37 3HG1 ILE 37 -1.292 3.086 -9.825 365 1HG2 ILE 37 1HG2 ILE 37 -0.343 1.118 -7.428 366 2HG2 ILE 37 2HG2 ILE 37 -1.182 2.676 -7.457 367 3HG2 ILE 37 3HG2 ILE 37 -1.960 1.268 -6.735 368 1HD1 ILE 37 2HD1 ILE 37 0.419 0.628 -10.400 369 2HD1 ILE 37 3HD1 ILE 37 0.696 2.272 -10.994 370 3HD1 ILE 37 1HD1 ILE 37 0.826 1.935 -9.260 371 QG1 ILE 37 QG1 ILE 37 -1.497 2.456 -10.404 372 QG2 ILE 37 QG2 ILE 37 -1.162 1.687 -7.206 373 QD1 ILE 37 QD1 ILE 37 0.647 1.612 -10.218 374 H GLU 38 HN GLU 38 -1.617 -1.276 -6.779 375 HA GLU 38 HA GLU 38 -4.441 -1.367 -5.979 376 1HB GLU 38 2HB GLU 38 -3.997 -3.604 -6.820 377 2HB GLU 38 3HB GLU 38 -2.482 -3.717 -5.928 378 1HG GLU 38 2HG GLU 38 -5.060 -3.310 -4.388 379 2HG GLU 38 3HG GLU 38 -4.683 -4.895 -5.067 380 QB GLU 38 QB GLU 38 -3.239 -3.660 -6.374 381 QG GLU 38 QG GLU 38 -4.871 -4.102 -4.727 382 NH1 ARG 39 NH2 ARG 39 -4.240 3.350 -6.572 383 NH2 ARG 39 NH1 ARG 39 -2.678 5.037 -6.938 384 H ARG 39 HN ARG 39 -4.470 -1.186 -3.479 385 HA ARG 39 HA ARG 39 -1.954 -0.157 -2.353 386 1HB ARG 39 2HB ARG 39 -4.622 1.358 -2.533 387 2HB ARG 39 3HB ARG 39 -3.104 1.862 -1.782 388 1HG ARG 39 2HG ARG 39 -2.072 1.855 -4.051 389 2HG ARG 39 3HG ARG 39 -3.650 1.459 -4.735 390 1HD ARG 39 2HD ARG 39 -4.632 3.499 -3.729 391 2HD ARG 39 3HD ARG 39 -3.163 3.801 -2.830 392 HE ARG 39 HE ARG 39 -2.320 4.900 -4.505 393 1HH1 ARG 39 2HH2 ARG 39 -4.729 2.773 -5.887 394 2HH1 ARG 39 1HH2 ARG 39 -4.655 3.390 -7.500 395 1HH2 ARG 39 2HH1 ARG 39 -2.090 5.733 -6.456 396 2HH2 ARG 39 1HH1 ARG 39 -2.808 5.070 -7.935 397 QB ARG 39 QB ARG 39 -3.863 1.610 -2.157 398 QG ARG 39 QG ARG 39 -2.861 1.657 -4.393 399 QD ARG 39 QD ARG 39 -3.897 3.650 -3.280 400 QH1 ARG 39 QH2 ARG 39 -4.692 3.081 -6.694 401 QH2 ARG 39 QH1 ARG 39 -2.449 5.402 -7.196 402 H GLY 40 HN GLY 40 -1.971 -0.271 -0.045 403 1HA GLY 40 1HA GLY 40 -4.456 -0.244 1.327 404 2HA GLY 40 2HA GLY 40 -3.817 -1.898 1.335 405 QA GLY 40 QA GLY 40 -4.137 -1.071 1.331 406 H CYS 41 HN CYS 41 -3.833 -1.435 3.695 407 HA CYS 41 HA CYS 41 -1.800 0.394 4.733 408 1HB CYS 41 2HB CYS 41 -3.158 0.170 6.768 409 2HB CYS 41 3HB CYS 41 -4.146 0.600 5.371 410 QB CYS 41 QB CYS 41 -3.652 0.385 6.069 411 H GLY 42 HN GLY 42 -0.486 -0.419 6.632 412 1HA GLY 42 1HA GLY 42 0.787 -2.067 7.680 413 2HA GLY 42 2HA GLY 42 -0.071 -3.330 6.794 414 QA GLY 42 QA GLY 42 0.358 -2.698 7.237 415 H CYS 43 HN CYS 43 2.099 -4.203 6.402 416 HA CYS 43 HA CYS 43 3.107 -3.364 3.790 417 1HB CYS 43 2HB CYS 43 4.513 -1.961 5.204 418 2HB CYS 43 3HB CYS 43 4.966 -3.367 6.181 419 QB CYS 43 QB CYS 43 4.739 -2.664 5.692 420 HA PRO 44 HA PRO 44 3.207 -7.918 4.637 421 1HB PRO 44 2HB PRO 44 1.952 -8.809 2.402 422 2HB PRO 44 3HB PRO 44 1.025 -8.126 3.776 423 1HG PRO 44 2HG PRO 44 1.890 -6.701 1.240 424 2HG PRO 44 3HG PRO 44 0.260 -6.727 1.972 425 1HD PRO 44 2HD PRO 44 2.070 -4.708 2.374 426 2HD PRO 44 3HD PRO 44 0.909 -5.185 3.650 427 QB PRO 44 QB PRO 44 1.489 -8.467 3.089 428 QG PRO 44 QG PRO 44 1.075 -6.714 1.606 429 QD PRO 44 QD PRO 44 1.490 -4.946 3.012 430 H LYS 45 HN LYS 45 4.593 -9.440 3.510 431 HA LYS 45 HA LYS 45 6.232 -8.293 1.296 432 1HB LYS 45 2HB LYS 45 7.492 -9.072 3.122 433 2HB LYS 45 3HB LYS 45 6.779 -10.701 3.065 434 1HG LYS 45 2HG LYS 45 7.783 -10.979 0.794 435 2HG LYS 45 3HG LYS 45 8.522 -9.377 0.906 436 1HD LYS 45 2HD LYS 45 9.070 -11.691 2.841 437 2HD LYS 45 3HD LYS 45 9.947 -11.439 1.342 438 1HE LYS 45 2HE LYS 45 11.287 -10.591 3.120 439 2HE LYS 45 3HE LYS 45 10.785 -9.250 2.090 440 1HZ LYS 45 3HZ LYS 45 9.494 -9.957 4.649 441 2HZ LYS 45 1HZ LYS 45 10.658 -8.808 4.481 442 3HZ LYS 45 2HZ LYS 45 9.215 -8.612 3.739 443 QB LYS 45 QB LYS 45 7.136 -9.886 3.094 444 QG LYS 45 QG LYS 45 8.153 -10.178 0.850 445 QD LYS 45 QD LYS 45 9.509 -11.565 2.091 446 QE LYS 45 QE LYS 45 11.036 -9.920 2.605 447 QZ LYS 45 QZ LYS 45 9.789 -9.126 4.290 448 H VAL 46 HN VAL 46 6.525 -9.608 -0.454 449 HA VAL 46 HA VAL 46 4.375 -11.474 -1.245 450 HB VAL 46 HB VAL 46 3.783 -9.839 -3.133 451 1HG1 VAL 46 1HG1 VAL 46 2.334 -10.313 -1.150 452 2HG1 VAL 46 2HG1 VAL 46 3.050 -8.909 -0.325 453 3HG1 VAL 46 3HG1 VAL 46 2.122 -8.686 -1.800 454 1HG2 VAL 46 2HG2 VAL 46 5.156 -7.822 -1.266 455 2HG2 VAL 46 3HG2 VAL 46 5.657 -8.237 -2.921 456 3HG2 VAL 46 1HG2 VAL 46 4.106 -7.418 -2.600 457 QG1 VAL 46 QG1 VAL 46 2.502 -9.303 -1.092 458 QG2 VAL 46 QG2 VAL 46 4.973 -7.826 -2.262 459 QQG VAL 46 QQG VAL 46 3.737 -8.564 -1.677 460 H LYS 47 HN LYS 47 4.718 -11.777 -3.857 461 HA LYS 47 HA LYS 47 7.470 -12.812 -3.797 462 1HB LYS 47 2HB LYS 47 4.978 -13.536 -5.242 463 2HB LYS 47 3HB LYS 47 6.416 -13.893 -6.081 464 1HG LYS 47 2HG LYS 47 7.275 -15.062 -3.958 465 2HG LYS 47 3HG LYS 47 5.639 -14.935 -3.318 466 1HD LYS 47 2HD LYS 47 6.528 -16.302 -5.922 467 2HD LYS 47 3HD LYS 47 6.217 -17.152 -4.416 468 1HE LYS 47 2HE LYS 47 4.128 -15.607 -6.043 469 2HE LYS 47 3HE LYS 47 4.372 -17.353 -6.076 470 1HZ LYS 47 3HZ LYS 47 3.790 -17.457 -3.764 471 2HZ LYS 47 1HZ LYS 47 3.569 -15.827 -3.694 472 3HZ LYS 47 2HZ LYS 47 2.584 -16.754 -4.626 473 QB LYS 47 QB LYS 47 5.697 -13.715 -5.661 474 QG LYS 47 QG LYS 47 6.457 -14.998 -3.638 475 QD LYS 47 QD LYS 47 6.372 -16.727 -5.169 476 QE LYS 47 QE LYS 47 4.250 -16.480 -6.060 477 QZ LYS 47 QZ LYS 47 3.314 -16.679 -4.028 478 HA PRO 48 HA PRO 48 9.129 -9.910 -6.441 479 1HB PRO 48 2HB PRO 48 10.989 -11.264 -7.940 480 2HB PRO 48 3HB PRO 48 11.097 -11.093 -6.165 481 1HG PRO 48 2HG PRO 48 10.088 -13.454 -7.746 482 2HG PRO 48 3HG PRO 48 11.159 -13.457 -6.315 483 1HD PRO 48 2HD PRO 48 8.445 -13.918 -6.245 484 2HD PRO 48 3HD PRO 48 9.291 -13.231 -4.854 485 QB PRO 48 QB PRO 48 11.043 -11.179 -7.052 486 QG PRO 48 QG PRO 48 10.623 -13.456 -7.031 487 QD PRO 48 QD PRO 48 8.868 -13.574 -5.550 488 H GLY 49 HN GLY 49 9.400 -9.077 -8.680 489 1HA GLY 49 1HA GLY 49 8.897 -8.786 -10.872 490 2HA GLY 49 2HA GLY 49 8.131 -10.374 -10.869 491 QA GLY 49 QA GLY 49 8.514 -9.580 -10.870 492 H VAL 50 HN VAL 50 6.396 -9.974 -8.700 493 HA VAL 50 HA VAL 50 4.385 -8.041 -9.709 494 HB VAL 50 HB VAL 50 4.172 -9.776 -7.188 495 1HG1 VAL 50 1HG1 VAL 50 2.564 -7.773 -7.711 496 2HG1 VAL 50 2HG1 VAL 50 2.048 -8.703 -9.117 497 3HG1 VAL 50 3HG1 VAL 50 1.792 -9.363 -7.494 498 1HG2 VAL 50 1HG2 VAL 50 3.411 -10.509 -10.047 499 2HG2 VAL 50 2HG2 VAL 50 4.582 -11.349 -9.007 500 3HG2 VAL 50 3HG2 VAL 50 2.869 -11.358 -8.588 501 QG1 VAL 50 QG1 VAL 50 2.135 -8.613 -8.108 502 QG2 VAL 50 QG2 VAL 50 3.621 -11.072 -9.214 503 QQG VAL 50 QQG VAL 50 2.878 -9.843 -8.661 504 H GLY 51 HN GLY 51 5.531 -6.086 -9.379 505 1HA GLY 51 1HA GLY 51 7.244 -5.425 -7.333 506 2HA GLY 51 2HA GLY 51 6.286 -4.235 -8.217 507 QA GLY 51 QA GLY 51 6.765 -4.830 -7.775 508 H ILE 52 HN ILE 52 6.959 -3.569 -5.782 509 HA ILE 52 HA ILE 52 4.574 -3.434 -4.162 510 HB ILE 52 HB ILE 52 5.395 -5.675 -3.497 511 1HG1 ILE 52 2HG1 ILE 52 5.928 -5.363 -1.101 512 2HG1 ILE 52 3HG1 ILE 52 6.144 -3.641 -1.341 513 1HG2 ILE 52 1HG2 ILE 52 7.751 -5.456 -4.241 514 2HG2 ILE 52 2HG2 ILE 52 8.069 -4.360 -2.879 515 3HG2 ILE 52 3HG2 ILE 52 7.624 -6.049 -2.586 516 1HD1 ILE 52 1HD1 ILE 52 3.714 -3.503 -2.021 517 2HD1 ILE 52 2HD1 ILE 52 3.577 -5.249 -1.705 518 3HD1 ILE 52 3HD1 ILE 52 3.962 -4.137 -0.385 519 QG1 ILE 52 QG1 ILE 52 6.036 -4.502 -1.221 520 QG2 ILE 52 QG2 ILE 52 7.815 -5.288 -3.236 521 QD1 ILE 52 QD1 ILE 52 3.751 -4.296 -1.370 522 H HIS 53 HN HIS 53 4.847 -1.707 -2.594 523 HA HIS 53 HA HIS 53 7.546 -0.815 -1.962 524 1HB HIS 53 2HB HIS 53 7.025 0.588 -3.966 525 2HB HIS 53 3HB HIS 53 5.516 1.111 -3.200 526 HD1 HIS 53 HD1 HIS 53 9.348 1.422 -2.720 527 HD2 HIS 53 HD2 HIS 53 5.700 3.006 -1.300 528 HE1 HIS 53 HE1 HIS 53 9.949 3.333 -1.107 529 HE2 HIS 53 HE2 HIS 53 7.729 4.273 -0.248 530 QB HIS 53 QB HIS 53 6.270 0.849 -3.583 531 H CYS 54 HN CYS 54 7.514 0.106 0.174 532 HA CYS 54 HA CYS 54 4.847 0.375 1.476 533 1HB CYS 54 2HB CYS 54 7.362 -0.799 2.671 534 2HB CYS 54 3HB CYS 54 5.907 -0.346 3.557 535 QB CYS 54 QB CYS 54 6.635 -0.572 3.114 536 H CYS 55 HN CYS 55 4.749 2.025 3.130 537 HA CYS 55 HA CYS 55 7.031 3.802 3.425 538 1HB CYS 55 2HB CYS 55 5.747 5.789 2.686 539 2HB CYS 55 3HB CYS 55 6.162 4.676 1.399 540 QB CYS 55 QB CYS 55 5.954 5.233 2.043 541 H GLN 56 HN GLN 56 6.449 5.595 4.888 542 HA GLN 56 HA GLN 56 5.007 4.377 7.197 543 1HB GLN 56 2HB GLN 56 7.284 3.687 7.206 544 2HB GLN 56 3HB GLN 56 7.867 5.301 6.812 545 1HG GLN 56 2HG GLN 56 8.398 4.521 9.087 546 2HG GLN 56 3HG GLN 56 7.594 6.075 9.044 547 1HE2 GLN 56 2HE2 GLN 56 5.983 4.460 11.861 548 2HE2 GLN 56 1HE2 GLN 56 7.405 5.375 11.411 549 QB GLN 56 QB GLN 56 7.575 4.494 7.009 550 QG GLN 56 QG GLN 56 7.996 5.298 9.065 551 QE2 GLN 56 QE2 GLN 56 6.694 4.918 11.636 552 H SER 57 HN SER 57 3.988 6.560 5.636 553 HA SER 57 HA SER 57 3.685 8.469 7.883 554 1HB SER 57 2HB SER 57 3.672 9.471 5.018 555 2HB SER 57 3HB SER 57 3.547 10.383 6.520 556 HG SER 57 HG SER 57 5.677 10.404 5.631 557 QB SER 57 QB SER 57 3.609 9.927 5.769 558 H ASP 58 HN ASP 58 1.419 9.548 7.689 559 HA ASP 58 HA ASP 58 -0.528 7.502 6.977 560 1HB ASP 58 2HB ASP 58 -2.132 9.290 7.618 561 2HB ASP 58 3HB ASP 58 -0.944 9.070 8.906 562 QB ASP 58 QB ASP 58 -1.538 9.180 8.262 563 H LYS 59 HN LYS 59 -1.924 7.715 5.228 564 HA LYS 59 HA LYS 59 -2.450 8.077 3.031 565 1HB LYS 59 2HB LYS 59 -1.695 10.980 3.429 566 2HB LYS 59 3HB LYS 59 -3.063 10.307 2.538 567 1HG LYS 59 2HG LYS 59 -4.103 9.681 4.773 568 2HG LYS 59 3HG LYS 59 -2.705 10.387 5.574 569 1HD LYS 59 2HD LYS 59 -4.235 12.080 5.767 570 2HD LYS 59 3HD LYS 59 -3.115 12.572 4.513 571 1HE LYS 59 2HE LYS 59 -5.324 13.186 3.792 572 2HE LYS 59 3HE LYS 59 -4.792 11.859 2.758 573 1HZ LYS 59 1HZ LYS 59 -6.118 10.379 4.181 574 2HZ LYS 59 2HZ LYS 59 -6.625 11.664 5.070 575 3HZ LYS 59 3HZ LYS 59 -7.050 11.529 3.490 576 QB LYS 59 QB LYS 59 -2.379 10.643 2.983 577 QG LYS 59 QG LYS 59 -3.404 10.034 5.173 578 QD LYS 59 QD LYS 59 -3.675 12.326 5.140 579 QE LYS 59 QE LYS 59 -5.058 12.522 3.275 580 QZ LYS 59 QZ LYS 59 -6.598 11.191 4.247 581 H CYS 60 HN CYS 60 0.366 7.354 3.502 582 HA CYS 60 HA CYS 60 1.926 9.002 1.688 583 1HB CYS 60 2HB CYS 60 3.783 7.693 2.376 584 2HB CYS 60 3HB CYS 60 2.747 8.024 3.767 585 QB CYS 60 QB CYS 60 3.265 7.859 3.071 586 H ASN 61 HN ASN 61 0.152 5.959 1.426 587 HA ASN 61 HA ASN 61 1.668 5.103 -0.920 588 1HB ASN 61 2HB ASN 61 0.334 3.109 -0.819 589 2HB ASN 61 3HB ASN 61 1.013 3.473 0.773 590 1HD2 ASN 61 2HD2 ASN 61 -2.816 2.629 0.695 591 2HD2 ASN 61 1HD2 ASN 61 -1.387 1.847 0.002 592 QB ASN 61 QB ASN 61 0.673 3.291 -0.023 593 QD2 ASN 61 QD2 ASN 61 -2.102 2.238 0.349 594 OH TYR 62 OH TYR 62 -3.824 12.574 -6.246 595 H TYR 62 HN TYR 62 0.750 7.450 -1.711 596 HA TYR 62 HA TYR 62 -1.927 7.477 -2.699 597 1HB TYR 62 2HB TYR 62 -0.497 9.503 -2.259 598 2HB TYR 62 3HB TYR 62 0.439 9.027 -3.694 599 HD1 TYR 62 HD2 TYR 62 -3.304 9.200 -3.248 600 HD2 TYR 62 HD1 TYR 62 0.206 10.788 -5.179 601 HE1 TYR 62 HE2 TYR 62 -4.715 10.764 -4.524 602 HE2 TYR 62 HE1 TYR 62 -1.215 12.359 -6.450 603 HH TYR 62 HH TYR 62 -4.744 12.579 -5.976 604 QB TYR 62 QB TYR 62 -0.029 9.265 -2.977 605 QR TYR 62 QR TYR 62 -2.257 10.778 -4.850 Start of MODEL 7 Raw file had 605 H/Q atoms Start of MODEL 7 1 NH1 ARG 1 NH2 ARG 1 1.215 7.758 10.144 2 NH2 ARG 1 NH1 ARG 1 2.885 6.168 9.864 3 H ARG 1 HN ARG 1 -4.645 5.538 12.428 4 HA ARG 1 HA ARG 1 -2.911 6.338 10.964 5 1HB ARG 1 2HB ARG 1 -1.543 4.260 11.105 6 2HB ARG 1 3HB ARG 1 -2.778 3.369 10.211 7 1HG ARG 1 2HG ARG 1 -0.953 3.780 8.729 8 2HG ARG 1 3HG ARG 1 -2.301 4.757 8.194 9 1HD ARG 1 2HD ARG 1 -0.671 6.362 8.105 10 2HD ARG 1 3HD ARG 1 -1.133 6.571 9.800 11 HE ARG 1 HE ARG 1 1.054 4.668 9.239 12 1HH1 ARG 1 2HH2 ARG 1 0.233 8.055 10.077 13 2HH1 ARG 1 1HH2 ARG 1 1.865 8.498 10.360 14 1HH2 ARG 1 2HH1 ARG 1 3.128 5.196 9.657 15 2HH2 ARG 1 1HH1 ARG 1 3.649 6.837 9.872 16 QB ARG 1 QB ARG 1 -2.160 3.815 10.658 17 QG ARG 1 QG ARG 1 -1.627 4.269 8.461 18 QD ARG 1 QD ARG 1 -0.902 6.467 8.952 19 QH1 ARG 1 QH2 ARG 1 1.049 8.276 10.219 20 QH2 ARG 1 QH1 ARG 1 3.388 6.017 9.764 21 H ILE 2 HN ILE 2 -3.385 6.848 8.607 22 HA ILE 2 HA ILE 2 -5.804 5.604 7.505 23 HB ILE 2 HB ILE 2 -5.408 8.608 7.655 24 1HG1 ILE 2 2HG1 ILE 2 -7.454 6.803 9.034 25 2HG1 ILE 2 3HG1 ILE 2 -6.168 7.738 9.821 26 1HG2 ILE 2 2HG2 ILE 2 -6.438 7.862 5.520 27 2HG2 ILE 2 3HG2 ILE 2 -7.697 7.005 6.435 28 3HG2 ILE 2 1HG2 ILE 2 -7.571 8.775 6.491 29 1HD1 ILE 2 3HD1 ILE 2 -7.247 9.833 8.981 30 2HD1 ILE 2 1HD1 ILE 2 -8.632 8.839 8.446 31 3HD1 ILE 2 2HD1 ILE 2 -8.199 8.899 10.157 32 QG1 ILE 2 QG1 ILE 2 -6.811 7.270 9.427 33 QG2 ILE 2 QG2 ILE 2 -7.235 7.881 6.148 34 QD1 ILE 2 QD1 ILE 2 -8.026 9.190 9.195 35 H CYS 3 HN CYS 3 -5.612 5.209 5.359 36 HA CYS 3 HA CYS 3 -3.392 6.418 3.834 37 1HB CYS 3 2HB CYS 3 -3.370 3.615 4.929 38 2HB CYS 3 3HB CYS 3 -2.626 3.925 3.367 39 QB CYS 3 QB CYS 3 -2.998 3.770 4.148 40 OH TYR 4 OH TYR 4 -4.168 11.594 -1.129 41 H TYR 4 HN TYR 4 -3.281 5.592 1.617 42 HA TYR 4 HA TYR 4 -5.931 5.811 0.475 43 1HB TYR 4 2HB TYR 4 -3.166 5.537 -0.696 44 2HB TYR 4 3HB TYR 4 -4.614 5.566 -1.675 45 HD1 TYR 4 HD1 TYR 4 -6.252 7.573 -1.384 46 HD2 TYR 4 HD2 TYR 4 -2.101 7.647 -0.223 47 HE1 TYR 4 HE1 TYR 4 -6.270 10.030 -1.513 48 HE2 TYR 4 HE2 TYR 4 -2.083 10.110 -0.572 49 HH TYR 4 HH TYR 4 -5.001 11.960 -1.432 50 QB TYR 4 QB TYR 4 -3.890 5.552 -1.186 51 QR TYR 4 QR TYR 4 -4.177 8.840 -0.923 52 H ASN 5 HN ASN 5 -7.030 4.321 -0.745 53 HA ASN 5 HA ASN 5 -5.973 1.578 -1.094 54 1HB ASN 5 2HB ASN 5 -7.771 0.494 -0.070 55 2HB ASN 5 3HB ASN 5 -7.162 1.653 1.113 56 1HD2 ASN 5 2HD2 ASN 5 -11.012 1.707 0.688 57 2HD2 ASN 5 1HD2 ASN 5 -9.913 0.345 0.715 58 QB ASN 5 QB ASN 5 -7.466 1.074 0.522 59 QD2 ASN 5 QD2 ASN 5 -10.463 1.026 0.701 60 H HIS 6 HN HIS 6 -6.338 3.664 -2.987 61 HA HIS 6 HA HIS 6 -8.749 2.818 -4.541 62 1HB HIS 6 2HB HIS 6 -8.249 4.606 -6.075 63 2HB HIS 6 3HB HIS 6 -8.475 5.197 -4.446 64 HD1 HIS 6 HD1 HIS 6 -5.902 5.030 -7.247 65 HD2 HIS 6 HD2 HIS 6 -6.218 6.213 -3.213 66 HE1 HIS 6 HE1 HIS 6 -3.839 6.613 -6.709 67 HE2 HIS 6 HE2 HIS 6 -3.965 7.136 -4.309 68 QB HIS 6 QB HIS 6 -8.362 4.901 -5.261 69 H GLN 7 HN GLN 7 -8.382 2.278 -6.864 70 HA GLN 7 HA GLN 7 -6.041 0.552 -7.193 71 1HB GLN 7 2HB GLN 7 -8.074 1.178 -9.339 72 2HB GLN 7 3HB GLN 7 -7.069 -0.235 -9.110 73 1HG GLN 7 2HG GLN 7 -8.466 -0.954 -7.210 74 2HG GLN 7 3HG GLN 7 -9.433 0.529 -7.342 75 1HE2 GLN 7 2HE2 GLN 7 -11.665 -1.230 -9.418 76 2HE2 GLN 7 1HE2 GLN 7 -11.447 -0.369 -7.905 77 QB GLN 7 QB GLN 7 -7.571 0.471 -9.224 78 QG GLN 7 QG GLN 7 -8.949 -0.213 -7.276 79 QE2 GLN 7 QE2 GLN 7 -11.556 -0.800 -8.662 80 H SER 8 HN SER 8 -5.045 0.825 -9.536 81 HA SER 8 HA SER 8 -3.996 3.350 -10.278 82 1HB SER 8 2HB SER 8 -4.318 1.902 -12.621 83 2HB SER 8 3HB SER 8 -2.994 1.665 -11.488 84 HG SER 8 HG SER 8 -5.453 0.235 -11.526 85 QB SER 8 QB SER 8 -3.656 1.784 -12.054 86 H THR 9 HN THR 9 -4.782 4.871 -11.723 87 HA THR 9 HA THR 9 -6.294 6.210 -12.743 88 HB THR 9 HB THR 9 -7.047 3.641 -14.161 89 HG1 THR 9 1HG THR 9 -4.971 3.709 -15.087 90 1HG2 THR 9 3HG2 THR 9 -7.804 5.849 -15.121 91 2HG2 THR 9 1HG2 THR 9 -6.110 6.369 -15.187 92 3HG2 THR 9 2HG2 THR 9 -6.662 5.008 -16.177 93 QG2 THR 9 QG2 THR 9 -6.859 5.742 -15.495 94 H THR 10 HN THR 10 -7.518 5.484 -10.296 95 HA THR 10 HA THR 10 -10.392 5.591 -11.064 96 HB THR 10 HB THR 10 -10.760 4.040 -9.007 97 HG1 THR 10 1HG THR 10 -8.167 3.202 -9.739 98 1HG2 THR 10 3HG2 THR 10 -9.550 2.850 -11.548 99 2HG2 THR 10 1HG2 THR 10 -10.514 1.984 -10.347 100 3HG2 THR 10 2HG2 THR 10 -11.247 3.288 -11.303 101 QG2 THR 10 QG2 THR 10 -10.437 2.708 -11.066 102 NH1 ARG 11 NH2 ARG 11 -14.471 8.572 -3.457 103 NH2 ARG 11 NH1 ARG 11 -15.863 10.415 -3.255 104 H ARG 11 HN ARG 11 -11.754 6.254 -9.271 105 HA ARG 11 HA ARG 11 -11.065 8.722 -8.203 106 1HB ARG 11 2HB ARG 11 -13.360 7.800 -8.489 107 2HB ARG 11 3HB ARG 11 -13.067 6.684 -7.142 108 1HG ARG 11 2HG ARG 11 -12.741 8.655 -5.628 109 2HG ARG 11 3HG ARG 11 -13.079 9.736 -6.990 110 1HD ARG 11 2HD ARG 11 -15.317 8.757 -7.259 111 2HD ARG 11 3HD ARG 11 -15.032 7.608 -5.958 112 HE ARG 11 HE ARG 11 -15.801 10.392 -5.768 113 1HH1 ARG 11 2HH2 ARG 11 -13.908 7.974 -4.044 114 2HH1 ARG 11 1HH2 ARG 11 -14.379 8.482 -2.457 115 1HH2 ARG 11 2HH1 ARG 11 -16.426 11.141 -3.674 116 2HH2 ARG 11 1HH1 ARG 11 -15.826 10.363 -2.248 117 QB ARG 11 QB ARG 11 -13.214 7.242 -7.815 118 QG ARG 11 QG ARG 11 -12.910 9.196 -6.309 119 QD ARG 11 QD ARG 11 -15.175 8.182 -6.609 120 QH1 ARG 11 QH2 ARG 11 -14.143 8.228 -3.251 121 QH2 ARG 11 QH1 ARG 11 -16.126 10.752 -2.961 122 H ALA 12 HN ALA 12 -9.890 9.370 -6.461 123 HA ALA 12 HA ALA 12 -8.346 7.576 -4.922 124 1HB ALA 12 2HB ALA 12 -7.731 9.919 -5.305 125 2HB ALA 12 3HB ALA 12 -9.109 10.458 -4.318 126 3HB ALA 12 1HB ALA 12 -7.780 9.547 -3.567 127 QB ALA 12 QB ALA 12 -8.207 9.975 -4.397 128 H THR 13 HN THR 13 -8.631 6.642 -2.908 129 HA THR 13 HA THR 13 -10.916 7.300 -1.215 130 HB THR 13 HB THR 13 -11.398 4.850 -0.931 131 HG1 THR 13 1HG THR 13 -9.713 3.798 -1.732 132 1HG2 THR 13 1HG2 THR 13 -12.834 6.243 -2.433 133 2HG2 THR 13 2HG2 THR 13 -11.816 5.751 -3.812 134 3HG2 THR 13 3HG2 THR 13 -12.746 4.538 -2.922 135 QG2 THR 13 QG2 THR 13 -12.465 5.511 -3.056 136 H THR 14 HN THR 14 -10.386 6.894 0.942 137 HA THR 14 HA THR 14 -7.772 5.682 1.577 138 HB THR 14 HB THR 14 -7.726 7.408 3.479 139 HG1 THR 14 1HG THR 14 -9.967 8.065 2.999 140 1HG2 THR 14 1HG2 THR 14 -7.363 8.365 0.621 141 2HG2 THR 14 2HG2 THR 14 -6.890 9.326 2.024 142 3HG2 THR 14 3HG2 THR 14 -6.111 7.764 1.737 143 QG2 THR 14 QG2 THR 14 -6.788 8.485 1.461 144 H LYS 15 HN LYS 15 -7.792 4.605 3.650 145 HA LYS 15 HA LYS 15 -10.298 4.662 5.153 146 1HB LYS 15 2HB LYS 15 -10.286 2.225 5.344 147 2HB LYS 15 3HB LYS 15 -10.701 2.813 3.735 148 1HG LYS 15 2HG LYS 15 -9.421 0.886 3.439 149 2HG LYS 15 3HG LYS 15 -8.386 2.239 2.977 150 1HD LYS 15 2HD LYS 15 -7.063 2.056 4.957 151 2HD LYS 15 3HD LYS 15 -8.228 0.999 5.762 152 1HE LYS 15 2HE LYS 15 -6.792 0.196 3.191 153 2HE LYS 15 3HE LYS 15 -6.050 -0.009 4.773 154 1HZ LYS 15 2HZ LYS 15 -8.622 -1.213 4.010 155 2HZ LYS 15 3HZ LYS 15 -7.178 -1.995 4.082 156 3HZ LYS 15 1HZ LYS 15 -7.850 -1.393 5.451 157 QB LYS 15 QB LYS 15 -10.494 2.519 4.540 158 QG LYS 15 QG LYS 15 -8.904 1.563 3.208 159 QD LYS 15 QD LYS 15 -7.646 1.527 5.360 160 QE LYS 15 QE LYS 15 -6.421 0.094 3.982 161 QZ LYS 15 QZ LYS 15 -7.883 -1.534 4.514 162 H SER 16 HN SER 16 -9.975 3.633 7.303 163 HA SER 16 HA SER 16 -7.379 4.497 8.354 164 1HB SER 16 2HB SER 16 -9.516 5.276 9.399 165 2HB SER 16 3HB SER 16 -9.767 3.610 9.973 166 HG SER 16 HG SER 16 -7.327 5.001 10.433 167 QB SER 16 QB SER 16 -9.642 4.443 9.686 168 H CYS 17 HN CYS 17 -6.215 3.151 9.889 169 HA CYS 17 HA CYS 17 -6.556 0.238 9.984 170 1HB CYS 17 2HB CYS 17 -4.622 1.454 8.136 171 2HB CYS 17 3HB CYS 17 -4.158 0.070 9.129 172 QB CYS 17 QB CYS 17 -4.390 0.762 8.633 173 H GLU 20 HN GLU 20 -4.648 -0.650 11.354 174 HA GLU 20 HA GLU 20 -4.140 1.298 13.517 175 1HB GLU 20 2HB GLU 20 -3.582 -0.650 14.836 176 2HB GLU 20 3HB GLU 20 -5.197 -0.754 14.111 177 1HG GLU 20 2HG GLU 20 -4.408 -2.369 12.445 178 2HG GLU 20 3HG GLU 20 -2.758 -2.247 13.082 179 QB GLU 20 QB GLU 20 -4.390 -0.702 14.474 180 QG GLU 20 QG GLU 20 -3.583 -2.308 12.763 181 H GLU 21 HN GLU 21 -2.411 -0.798 11.195 182 HA GLU 21 HA GLU 21 0.111 -0.676 12.255 183 1HB GLU 21 2HB GLU 21 -0.421 -0.561 9.275 184 2HB GLU 21 3HB GLU 21 0.971 -1.249 10.099 185 1HG GLU 21 2HG GLU 21 -0.132 -3.184 9.648 186 2HG GLU 21 3HG GLU 21 -0.827 -2.856 11.224 187 QB GLU 21 QB GLU 21 0.275 -0.905 9.687 188 QG GLU 21 QG GLU 21 -0.479 -3.020 10.436 189 H ASN 22 HN ASN 22 1.933 0.538 11.939 190 HA ASN 22 HA ASN 22 1.619 3.398 11.447 191 1HB ASN 22 2HB ASN 22 3.258 2.520 13.088 192 2HB ASN 22 3HB ASN 22 4.162 1.762 11.765 193 1HD2 ASN 22 2HD2 ASN 22 4.731 5.698 12.536 194 2HD2 ASN 22 1HD2 ASN 22 3.786 4.669 13.587 195 QB ASN 22 QB ASN 22 3.710 2.141 12.426 196 QD2 ASN 22 QD2 ASN 22 4.259 5.184 13.062 197 H SER 23 HN SER 23 2.707 0.529 9.611 198 HA SER 23 HA SER 23 3.910 2.006 7.440 199 1HB SER 23 2HB SER 23 3.485 -0.777 6.922 200 2HB SER 23 3HB SER 23 4.997 -0.011 7.461 201 HG SER 23 HG SER 23 4.344 -1.656 8.905 202 QB SER 23 QB SER 23 4.241 -0.394 7.192 203 H CYS 24 HN CYS 24 3.229 1.839 5.249 204 HA CYS 24 HA CYS 24 0.622 0.645 4.644 205 1HB CYS 24 2HB CYS 24 1.266 3.563 4.040 206 2HB CYS 24 3HB CYS 24 -0.115 2.670 3.413 207 QB CYS 24 QB CYS 24 0.576 3.117 3.726 208 OH TYR 25 OH TYR 25 -3.196 -4.473 0.601 209 H TYR 25 HN TYR 25 0.431 0.112 2.476 210 HA TYR 25 HA TYR 25 3.012 -0.058 1.023 211 1HB TYR 25 2HB TYR 25 2.407 -2.237 0.311 212 2HB TYR 25 3HB TYR 25 2.237 -2.174 2.054 213 HD1 TYR 25 HD1 TYR 25 0.273 -2.134 -1.161 214 HD2 TYR 25 HD2 TYR 25 0.145 -2.681 3.105 215 HE1 TYR 25 HE1 TYR 25 -1.867 -3.343 -1.381 216 HE2 TYR 25 HE2 TYR 25 -1.952 -3.957 2.883 217 HH TYR 25 HH TYR 25 -3.580 -4.738 1.441 218 QB TYR 25 QB TYR 25 2.322 -2.206 1.182 219 QR TYR 25 QR TYR 25 -0.850 -3.029 0.861 220 H LYS 26 HN LYS 26 2.993 -0.243 -1.195 221 HA LYS 26 HA LYS 26 0.460 0.083 -2.656 222 1HB LYS 26 2HB LYS 26 1.788 2.223 -2.605 223 2HB LYS 26 3HB LYS 26 3.093 1.404 -3.478 224 1HG LYS 26 2HG LYS 26 1.668 1.077 -5.422 225 2HG LYS 26 3HG LYS 26 0.225 1.457 -4.485 226 1HD LYS 26 2HD LYS 26 0.487 3.426 -5.587 227 2HD LYS 26 3HD LYS 26 1.290 3.782 -4.071 228 1HE LYS 26 2HE LYS 26 3.509 3.286 -5.216 229 2HE LYS 26 3HE LYS 26 2.616 3.048 -6.725 230 1HZ LYS 26 2HZ LYS 26 1.762 5.321 -6.453 231 2HZ LYS 26 3HZ LYS 26 2.691 5.534 -5.141 232 3HZ LYS 26 1HZ LYS 26 3.410 5.287 -6.609 233 QB LYS 26 QB LYS 26 2.440 1.813 -3.042 234 QG LYS 26 QG LYS 26 0.947 1.267 -4.953 235 QD LYS 26 QD LYS 26 0.889 3.604 -4.829 236 QE LYS 26 QE LYS 26 3.062 3.167 -5.971 237 QZ LYS 26 QZ LYS 26 2.621 5.381 -6.067 238 H LYS 27 HN LYS 27 0.296 -1.651 -4.086 239 HA LYS 27 HA LYS 27 2.696 -3.376 -4.611 240 1HB LYS 27 2HB LYS 27 -0.203 -4.109 -4.039 241 2HB LYS 27 3HB LYS 27 0.945 -5.222 -4.800 242 1HG LYS 27 2HG LYS 27 2.410 -5.171 -2.897 243 2HG LYS 27 3HG LYS 27 1.431 -3.925 -2.099 244 1HD LYS 27 2HD LYS 27 -0.544 -5.498 -2.153 245 2HD LYS 27 3HD LYS 27 0.514 -6.777 -2.753 246 1HE LYS 27 2HE LYS 27 0.760 -5.257 -0.107 247 2HE LYS 27 3HE LYS 27 0.142 -6.906 -0.280 248 1HZ LYS 27 1HZ LYS 27 2.860 -6.226 -1.155 249 2HZ LYS 27 2HZ LYS 27 2.567 -6.552 0.410 250 3HZ LYS 27 3HZ LYS 27 2.290 -7.703 -0.689 251 QB LYS 27 QB LYS 27 0.371 -4.665 -4.419 252 QG LYS 27 QG LYS 27 1.921 -4.548 -2.498 253 QD LYS 27 QD LYS 27 -0.015 -6.138 -2.453 254 QE LYS 27 QE LYS 27 0.451 -6.082 -0.194 255 QZ LYS 27 QZ LYS 27 2.572 -6.827 -0.478 256 OH TYR 28 OH TYR 28 7.324 0.115 -6.345 257 H TYR 28 HN TYR 28 2.930 -3.940 -6.872 258 HA TYR 28 HA TYR 28 0.806 -3.033 -8.664 259 1HB TYR 28 2HB TYR 28 2.672 -1.624 -9.783 260 2HB TYR 28 3HB TYR 28 1.802 -0.988 -8.386 261 HD1 TYR 28 HD2 TYR 28 2.861 -0.661 -6.237 262 HD2 TYR 28 HD1 TYR 28 5.091 -2.177 -9.592 263 HE1 TYR 28 HE2 TYR 28 4.937 0.261 -5.265 264 HE2 TYR 28 HE1 TYR 28 7.179 -1.290 -8.600 265 HH TYR 28 HH TYR 28 8.130 -0.167 -6.782 266 QB TYR 28 QB TYR 28 2.237 -1.306 -9.085 267 QR TYR 28 QR TYR 28 5.017 -0.967 -7.423 268 CH2 TRP 29 CH2 TRP 29 -2.622 -6.284 -7.705 269 H TRP 29 HN TRP 29 0.919 -3.721 -10.793 270 HA TRP 29 HA TRP 29 3.192 -5.316 -11.670 271 1HB TRP 29 2HB TRP 29 1.813 -7.312 -12.073 272 2HB TRP 29 3HB TRP 29 2.106 -6.990 -10.379 273 HD1 TRP 29 HD1 TRP 29 -0.628 -7.313 -12.956 274 HE1 TRP 29 HE1 TRP 29 -2.918 -7.365 -11.850 275 HE3 TRP 29 HE3 TRP 29 0.721 -5.889 -8.207 276 HZ2 TRP 29 HZ2 TRP 29 -4.038 -6.922 -9.209 277 HZ3 TRP 29 HZ3 TRP 29 -0.987 -5.659 -6.449 278 HH2 TRP 29 HH2 TRP 29 -3.361 -6.208 -6.920 279 QB TRP 29 QB TRP 29 1.960 -7.151 -11.226 280 NH1 ARG 30 NH2 ARG 30 7.860 -5.524 -16.611 281 NH2 ARG 30 NH1 ARG 30 7.673 -7.598 -17.627 282 H ARG 30 HN ARG 30 3.249 -5.542 -13.833 283 HA ARG 30 HA ARG 30 1.936 -3.716 -15.513 284 1HB ARG 30 2HB ARG 30 3.155 -6.329 -16.436 285 2HB ARG 30 3HB ARG 30 3.016 -4.795 -17.273 286 1HG ARG 30 2HG ARG 30 5.155 -4.432 -16.698 287 2HG ARG 30 3HG ARG 30 4.503 -3.981 -15.131 288 1HD ARG 30 2HD ARG 30 6.174 -5.547 -14.535 289 2HD ARG 30 3HD ARG 30 4.750 -6.561 -14.559 290 HE ARG 30 HE ARG 30 5.488 -7.707 -16.379 291 1HH1 ARG 30 2HH2 ARG 30 7.464 -4.813 -16.016 292 2HH1 ARG 30 1HH2 ARG 30 8.754 -5.352 -17.046 293 1HH2 ARG 30 2HH1 ARG 30 7.173 -8.463 -17.781 294 2HH2 ARG 30 1HH1 ARG 30 8.556 -7.470 -18.098 295 QB ARG 30 QB ARG 30 3.085 -5.562 -16.855 296 QG ARG 30 QG ARG 30 4.829 -4.206 -15.915 297 QD ARG 30 QD ARG 30 5.462 -6.054 -14.547 298 QH1 ARG 30 QH2 ARG 30 8.109 -5.082 -16.531 299 QH2 ARG 30 QH1 ARG 30 7.865 -7.966 -17.939 300 H ASP 31 HN ASP 31 0.088 -3.930 -16.830 301 HA ASP 31 HA ASP 31 -1.462 -6.490 -16.647 302 1HB ASP 31 2HB ASP 31 -2.218 -5.057 -14.903 303 2HB ASP 31 3HB ASP 31 -2.433 -3.677 -15.994 304 QB ASP 31 QB ASP 31 -2.325 -4.367 -15.448 305 H HIS 32 HN HIS 32 -2.446 -3.372 -18.105 306 HA HIS 32 HA HIS 32 -1.559 -4.233 -20.734 307 1HB HIS 32 2HB HIS 32 -3.880 -3.831 -21.716 308 2HB HIS 32 3HB HIS 32 -3.516 -5.377 -20.968 309 HD1 HIS 32 HD1 HIS 32 -4.779 -2.039 -19.509 310 HD2 HIS 32 HD2 HIS 32 -5.120 -6.159 -19.105 311 HE1 HIS 32 HE1 HIS 32 -6.172 -2.453 -17.434 312 HE2 HIS 32 HE2 HIS 32 -6.085 -4.890 -17.117 313 QB HIS 32 QB HIS 32 -3.698 -4.604 -21.342 314 NH1 ARG 33 NH2 ARG 33 -3.864 3.191 -20.593 315 NH2 ARG 33 NH1 ARG 33 -2.546 4.658 -21.806 316 H ARG 33 HN ARG 33 -1.040 -2.600 -21.872 317 HA ARG 33 HA ARG 33 -0.048 -0.548 -22.033 318 1HB ARG 33 2HB ARG 33 -1.501 1.176 -22.816 319 2HB ARG 33 3HB ARG 33 -1.941 -0.367 -23.541 320 1HG ARG 33 2HG ARG 33 -3.934 -0.572 -22.296 321 2HG ARG 33 3HG ARG 33 -3.438 0.595 -21.080 322 1HD ARG 33 2HD ARG 33 -4.192 1.187 -23.965 323 2HD ARG 33 3HD ARG 33 -5.162 1.582 -22.551 324 HE ARG 33 HE ARG 33 -3.017 3.094 -23.706 325 1HH1 ARG 33 2HH2 ARG 33 -4.398 2.338 -20.558 326 2HH1 ARG 33 1HH2 ARG 33 -3.707 3.703 -19.738 327 1HH2 ARG 33 2HH1 ARG 33 -2.095 4.931 -22.667 328 2HH2 ARG 33 1HH1 ARG 33 -2.401 5.233 -20.989 329 QB ARG 33 QB ARG 33 -1.721 0.404 -23.179 330 QG ARG 33 QG ARG 33 -3.686 0.012 -21.688 331 QD ARG 33 QD ARG 33 -4.677 1.384 -23.258 332 QH1 ARG 33 QH2 ARG 33 -4.052 3.020 -20.148 333 QH2 ARG 33 QH1 ARG 33 -2.248 5.082 -21.828 334 H GLY 34 HN GLY 34 -0.053 -1.286 -19.339 335 1HA GLY 34 1HA GLY 34 0.602 0.927 -17.854 336 2HA GLY 34 2HA GLY 34 -1.165 0.779 -17.695 337 QA GLY 34 QA GLY 34 -0.281 0.853 -17.775 338 H THR 35 HN THR 35 0.099 0.480 -15.446 339 HA THR 35 HA THR 35 0.293 -2.400 -14.819 340 HB THR 35 HB THR 35 2.338 -1.068 -14.664 341 HG1 THR 35 1HG THR 35 2.783 -1.498 -12.421 342 1HG2 THR 35 3HG2 THR 35 0.850 0.712 -12.731 343 2HG2 THR 35 1HG2 THR 35 2.614 0.687 -12.918 344 3HG2 THR 35 2HG2 THR 35 1.595 1.181 -14.266 345 QG2 THR 35 QG2 THR 35 1.686 0.860 -13.305 346 H ILE 36 HN ILE 36 -0.953 -3.148 -13.101 347 HA ILE 36 HA ILE 36 -3.163 -1.468 -12.135 348 HB ILE 36 HB ILE 36 -2.199 -4.260 -11.478 349 1HG1 ILE 36 2HG1 ILE 36 -3.484 -3.830 -13.615 350 2HG1 ILE 36 3HG1 ILE 36 -4.131 -5.074 -12.543 351 1HG2 ILE 36 3HG2 ILE 36 -4.422 -2.688 -10.120 352 2HG2 ILE 36 1HG2 ILE 36 -4.305 -4.458 -10.083 353 3HG2 ILE 36 2HG2 ILE 36 -3.018 -3.479 -9.372 354 1HD1 ILE 36 3HD1 ILE 36 -5.213 -2.231 -12.811 355 2HD1 ILE 36 1HD1 ILE 36 -5.894 -3.691 -13.542 356 3HD1 ILE 36 2HD1 ILE 36 -5.896 -3.518 -11.786 357 QG1 ILE 36 QG1 ILE 36 -3.808 -4.452 -13.079 358 QG2 ILE 36 QG2 ILE 36 -3.915 -3.542 -9.858 359 QD1 ILE 36 QD1 ILE 36 -5.668 -3.147 -12.713 360 H ILE 37 HN ILE 37 -2.974 -0.219 -10.297 361 HA ILE 37 HA ILE 37 -0.603 -0.680 -8.501 362 HB ILE 37 HB ILE 37 -2.031 1.956 -8.956 363 1HG1 ILE 37 2HG1 ILE 37 -0.762 1.447 -11.012 364 2HG1 ILE 37 3HG1 ILE 37 -0.190 2.845 -10.115 365 1HG2 ILE 37 3HG2 ILE 37 0.455 1.134 -7.407 366 2HG2 ILE 37 1HG2 ILE 37 -0.037 2.817 -7.706 367 3HG2 ILE 37 2HG2 ILE 37 -1.051 1.728 -6.733 368 1HD1 ILE 37 2HD1 ILE 37 1.693 1.385 -9.178 369 2HD1 ILE 37 3HD1 ILE 37 1.130 0.128 -10.323 370 3HD1 ILE 37 1HD1 ILE 37 1.724 1.701 -10.903 371 QG1 ILE 37 QG1 ILE 37 -0.476 2.146 -10.564 372 QG2 ILE 37 QG2 ILE 37 -0.211 1.893 -7.282 373 QD1 ILE 37 QD1 ILE 37 1.516 1.071 -10.135 374 H GLU 38 HN GLU 38 -1.415 -1.776 -6.794 375 HA GLU 38 HA GLU 38 -4.093 -1.140 -5.672 376 1HB GLU 38 2HB GLU 38 -3.789 -3.454 -6.375 377 2HB GLU 38 3HB GLU 38 -2.262 -3.577 -5.485 378 1HG GLU 38 2HG GLU 38 -4.089 -4.733 -4.338 379 2HG GLU 38 3HG GLU 38 -3.499 -3.409 -3.340 380 QB GLU 38 QB GLU 38 -3.025 -3.515 -5.930 381 QG GLU 38 QG GLU 38 -3.794 -4.071 -3.839 382 NH1 ARG 39 NH2 ARG 39 -3.533 2.759 -6.448 383 NH2 ARG 39 NH1 ARG 39 -2.118 4.543 -6.992 384 H ARG 39 HN ARG 39 -4.158 -1.063 -3.227 385 HA ARG 39 HA ARG 39 -1.680 0.032 -1.978 386 1HB ARG 39 2HB ARG 39 -4.325 1.423 -2.581 387 2HB ARG 39 3HB ARG 39 -3.118 2.045 -1.439 388 1HG ARG 39 2HG ARG 39 -1.495 2.273 -3.182 389 2HG ARG 39 3HG ARG 39 -2.596 1.522 -4.365 390 1HD ARG 39 2HD ARG 39 -4.294 3.339 -3.859 391 2HD ARG 39 3HD ARG 39 -3.104 4.068 -2.809 392 HE ARG 39 HE ARG 39 -1.794 4.652 -4.548 393 1HH1 ARG 39 2HH2 ARG 39 -4.137 2.336 -5.742 394 2HH1 ARG 39 1HH2 ARG 39 -3.460 2.229 -7.314 395 1HH2 ARG 39 2HH1 ARG 39 -1.716 5.405 -6.592 396 2HH2 ARG 39 1HH1 ARG 39 -2.180 4.399 -7.987 397 QB ARG 39 QB ARG 39 -3.721 1.734 -2.010 398 QG ARG 39 QG ARG 39 -2.046 1.898 -3.773 399 QD ARG 39 QD ARG 39 -3.699 3.703 -3.334 400 QH1 ARG 39 QH2 ARG 39 -3.798 2.282 -6.528 401 QH2 ARG 39 QH1 ARG 39 -1.948 4.902 -7.289 402 H GLY 40 HN GLY 40 -1.707 0.016 0.316 403 1HA GLY 40 1HA GLY 40 -4.181 0.078 1.717 404 2HA GLY 40 2HA GLY 40 -3.574 -1.589 1.714 405 QA GLY 40 QA GLY 40 -3.878 -0.756 1.715 406 H CYS 41 HN CYS 41 -3.628 -1.103 4.059 407 HA CYS 41 HA CYS 41 -1.498 0.535 5.237 408 1HB CYS 41 2HB CYS 41 -2.914 0.235 7.243 409 2HB CYS 41 3HB CYS 41 -3.895 0.696 5.861 410 QB CYS 41 QB CYS 41 -3.405 0.465 6.552 411 H GLY 42 HN GLY 42 -0.110 -0.574 6.956 412 1HA GLY 42 1HA GLY 42 1.123 -2.332 7.760 413 2HA GLY 42 2HA GLY 42 0.095 -3.494 6.910 414 QA GLY 42 QA GLY 42 0.609 -2.913 7.335 415 H CYS 43 HN CYS 43 2.553 -4.314 6.553 416 HA CYS 43 HA CYS 43 3.282 -3.537 3.790 417 1HB CYS 43 2HB CYS 43 5.078 -3.532 6.232 418 2HB CYS 43 3HB CYS 43 5.701 -3.788 4.610 419 QB CYS 43 QB CYS 43 5.389 -3.660 5.421 420 HA PRO 44 HA PRO 44 3.324 -8.175 4.462 421 1HB PRO 44 2HB PRO 44 1.353 -8.856 2.658 422 2HB PRO 44 3HB PRO 44 1.054 -8.533 4.388 423 1HG PRO 44 2HG PRO 44 0.711 -6.603 2.080 424 2HG PRO 44 3HG PRO 44 -0.434 -6.944 3.403 425 1HD PRO 44 2HD PRO 44 1.238 -4.800 3.468 426 2HD PRO 44 3HD PRO 44 0.862 -5.721 4.952 427 QB PRO 44 QB PRO 44 1.203 -8.694 3.523 428 QG PRO 44 QG PRO 44 0.138 -6.773 2.741 429 QD PRO 44 QD PRO 44 1.050 -5.260 4.210 430 H LYS 45 HN LYS 45 4.234 -9.562 2.817 431 HA LYS 45 HA LYS 45 5.834 -8.160 0.823 432 1HB LYS 45 2HB LYS 45 6.555 -9.961 2.435 433 2HB LYS 45 3HB LYS 45 5.614 -11.109 1.516 434 1HG LYS 45 2HG LYS 45 8.068 -11.207 1.169 435 2HG LYS 45 3HG LYS 45 7.143 -11.079 -0.283 436 1HD LYS 45 2HD LYS 45 8.963 -9.720 -0.664 437 2HD LYS 45 3HD LYS 45 7.743 -8.525 -0.282 438 1HE LYS 45 2HE LYS 45 9.934 -9.623 1.577 439 2HE LYS 45 3HE LYS 45 9.965 -8.070 0.740 440 1HZ LYS 45 3HZ LYS 45 8.057 -7.389 2.051 441 2HZ LYS 45 1HZ LYS 45 8.074 -8.824 2.861 442 3HZ LYS 45 2HZ LYS 45 9.337 -7.792 2.998 443 QB LYS 45 QB LYS 45 6.084 -10.535 1.975 444 QG LYS 45 QG LYS 45 7.605 -11.143 0.443 445 QD LYS 45 QD LYS 45 8.353 -9.123 -0.473 446 QE LYS 45 QE LYS 45 9.949 -8.846 1.158 447 QZ LYS 45 QZ LYS 45 8.489 -8.002 2.637 448 H VAL 46 HN VAL 46 6.102 -9.744 -1.245 449 HA VAL 46 HA VAL 46 3.605 -10.776 -2.328 450 HB VAL 46 HB VAL 46 4.382 -9.600 -4.611 451 1HG1 VAL 46 3HG1 VAL 46 2.506 -8.404 -2.578 452 2HG1 VAL 46 1HG1 VAL 46 2.604 -7.906 -4.273 453 3HG1 VAL 46 2HG1 VAL 46 2.136 -9.565 -3.859 454 1HG2 VAL 46 1HG2 VAL 46 6.216 -8.290 -3.592 455 2HG2 VAL 46 2HG2 VAL 46 4.987 -7.292 -4.382 456 3HG2 VAL 46 3HG2 VAL 46 5.014 -7.412 -2.612 457 QG1 VAL 46 QG1 VAL 46 2.415 -8.625 -3.570 458 QG2 VAL 46 QG2 VAL 46 5.406 -7.665 -3.528 459 QQG VAL 46 QQG VAL 46 3.910 -8.145 -3.549 460 H LYS 47 HN LYS 47 4.096 -11.924 -4.410 461 HA LYS 47 HA LYS 47 6.547 -13.524 -4.192 462 1HB LYS 47 2HB LYS 47 4.468 -13.548 -6.398 463 2HB LYS 47 3HB LYS 47 5.555 -14.850 -5.941 464 1HG LYS 47 2HG LYS 47 4.413 -15.005 -3.722 465 2HG LYS 47 3HG LYS 47 3.175 -13.880 -4.335 466 1HD LYS 47 2HD LYS 47 2.843 -15.430 -6.309 467 2HD LYS 47 3HD LYS 47 3.873 -16.613 -5.504 468 1HE LYS 47 2HE LYS 47 1.220 -15.463 -4.480 469 2HE LYS 47 3HE LYS 47 1.475 -17.083 -5.139 470 1HZ LYS 47 1HZ LYS 47 2.957 -17.524 -3.274 471 2HZ LYS 47 2HZ LYS 47 2.635 -16.036 -2.641 472 3HZ LYS 47 3HZ LYS 47 1.435 -17.151 -2.775 473 QB LYS 47 QB LYS 47 5.012 -14.199 -6.170 474 QG LYS 47 QG LYS 47 3.794 -14.442 -4.029 475 QD LYS 47 QD LYS 47 3.358 -16.021 -5.906 476 QE LYS 47 QE LYS 47 1.347 -16.273 -4.809 477 QZ LYS 47 QZ LYS 47 2.342 -16.904 -2.897 478 HA PRO 48 HA PRO 48 8.789 -10.878 -6.886 479 1HB PRO 48 2HB PRO 48 10.244 -12.459 -8.602 480 2HB PRO 48 3HB PRO 48 10.562 -12.344 -6.849 481 1HG PRO 48 2HG PRO 48 9.030 -14.476 -8.323 482 2HG PRO 48 3HG PRO 48 10.235 -14.686 -7.022 483 1HD PRO 48 2HD PRO 48 7.530 -14.738 -6.645 484 2HD PRO 48 3HD PRO 48 8.610 -14.164 -5.355 485 QB PRO 48 QB PRO 48 10.403 -12.402 -7.726 486 QG PRO 48 QG PRO 48 9.632 -14.581 -7.673 487 QD PRO 48 QD PRO 48 8.070 -14.451 -6.000 488 H GLY 49 HN GLY 49 9.017 -10.041 -9.139 489 1HA GLY 49 1HA GLY 49 8.348 -9.659 -11.301 490 2HA GLY 49 2HA GLY 49 7.103 -10.890 -11.085 491 QA GLY 49 QA GLY 49 7.726 -10.275 -11.193 492 H VAL 50 HN VAL 50 5.908 -10.135 -8.783 493 HA VAL 50 HA VAL 50 4.401 -7.705 -9.445 494 HB VAL 50 HB VAL 50 4.269 -9.450 -6.954 495 1HG1 VAL 50 3HG1 VAL 50 2.478 -7.252 -8.049 496 2HG1 VAL 50 1HG1 VAL 50 2.023 -8.319 -6.708 497 3HG1 VAL 50 2HG1 VAL 50 3.385 -7.201 -6.530 498 1HG2 VAL 50 3HG2 VAL 50 2.555 -9.446 -9.478 499 2HG2 VAL 50 1HG2 VAL 50 3.628 -10.755 -8.936 500 3HG2 VAL 50 2HG2 VAL 50 2.192 -10.345 -7.991 501 QG1 VAL 50 QG1 VAL 50 2.629 -7.590 -7.096 502 QG2 VAL 50 QG2 VAL 50 2.792 -10.182 -8.802 503 QQG VAL 50 QQG VAL 50 2.710 -8.886 -7.949 504 H GLY 51 HN GLY 51 5.025 -5.668 -8.828 505 1HA GLY 51 1HA GLY 51 7.354 -5.361 -7.214 506 2HA GLY 51 2HA GLY 51 6.567 -4.082 -8.106 507 QA GLY 51 QA GLY 51 6.960 -4.722 -7.660 508 H ILE 52 HN ILE 52 7.349 -3.504 -5.665 509 HA ILE 52 HA ILE 52 4.897 -2.937 -4.227 510 HB ILE 52 HB ILE 52 5.463 -5.154 -3.347 511 1HG1 ILE 52 2HG1 ILE 52 6.003 -2.954 -1.303 512 2HG1 ILE 52 3HG1 ILE 52 4.411 -3.471 -1.881 513 1HG2 ILE 52 2HG2 ILE 52 7.957 -5.032 -3.757 514 2HG2 ILE 52 3HG2 ILE 52 8.088 -3.985 -2.332 515 3HG2 ILE 52 1HG2 ILE 52 7.515 -5.654 -2.172 516 1HD1 ILE 52 3HD1 ILE 52 4.926 -5.768 -0.950 517 2HD1 ILE 52 1HD1 ILE 52 6.410 -5.085 -0.249 518 3HD1 ILE 52 2HD1 ILE 52 4.833 -4.469 0.259 519 QG1 ILE 52 QG1 ILE 52 5.207 -3.213 -1.592 520 QG2 ILE 52 QG2 ILE 52 7.853 -4.890 -2.754 521 QD1 ILE 52 QD1 ILE 52 5.390 -5.107 -0.313 522 H HIS 53 HN HIS 53 5.089 -1.173 -2.866 523 HA HIS 53 HA HIS 53 7.763 -0.200 -2.118 524 1HB HIS 53 2HB HIS 53 6.984 1.283 -3.988 525 2HB HIS 53 3HB HIS 53 5.502 1.608 -3.094 526 HD1 HIS 53 HD1 HIS 53 5.645 3.507 -1.240 527 HD2 HIS 53 HD2 HIS 53 9.358 2.190 -2.769 528 HE1 HIS 53 HE1 HIS 53 7.434 5.095 -0.308 529 HE2 HIS 53 HE2 HIS 53 9.682 4.271 -1.208 530 QB HIS 53 QB HIS 53 6.243 1.446 -3.541 531 H CYS 54 HN CYS 54 7.646 0.783 0.023 532 HA CYS 54 HA CYS 54 4.984 0.914 1.275 533 1HB CYS 54 2HB CYS 54 7.202 -0.846 2.235 534 2HB CYS 54 3HB CYS 54 6.550 0.259 3.418 535 QB CYS 54 QB CYS 54 6.876 -0.293 2.827 536 H CYS 55 HN CYS 55 4.969 2.240 3.181 537 HA CYS 55 HA CYS 55 7.115 4.104 3.671 538 1HB CYS 55 2HB CYS 55 5.717 6.092 3.060 539 2HB CYS 55 3HB CYS 55 6.366 5.170 1.721 540 QB CYS 55 QB CYS 55 6.041 5.631 2.390 541 H GLN 56 HN GLN 56 6.266 5.765 5.282 542 HA GLN 56 HA GLN 56 4.562 4.308 7.280 543 1HB GLN 56 2HB GLN 56 7.300 5.559 7.758 544 2HB GLN 56 3HB GLN 56 6.289 4.760 8.937 545 1HG GLN 56 2HG GLN 56 6.441 2.627 7.664 546 2HG GLN 56 3HG GLN 56 7.528 3.413 6.505 547 1HE2 GLN 56 2HE2 GLN 56 10.207 2.242 8.484 548 2HE2 GLN 56 1HE2 GLN 56 9.435 2.231 6.911 549 QB GLN 56 QB GLN 56 6.795 5.159 8.348 550 QG GLN 56 QG GLN 56 6.984 3.020 7.085 551 QE2 GLN 56 QE2 GLN 56 9.821 2.236 7.698 552 H SER 57 HN SER 57 3.385 6.320 5.880 553 HA SER 57 HA SER 57 3.022 8.327 7.979 554 1HB SER 57 2HB SER 57 3.855 9.367 5.247 555 2HB SER 57 3HB SER 57 3.537 10.276 6.725 556 HG SER 57 HG SER 57 5.346 8.724 7.534 557 QB SER 57 QB SER 57 3.696 9.821 5.986 558 H ASP 58 HN ASP 58 1.138 9.649 7.711 559 HA ASP 58 HA ASP 58 -1.007 8.086 6.821 560 1HB ASP 58 2HB ASP 58 -1.098 11.058 7.417 561 2HB ASP 58 3HB ASP 58 -2.375 9.850 7.666 562 QB ASP 58 QB ASP 58 -1.736 10.454 7.542 563 H LYS 59 HN LYS 59 -2.131 8.011 4.974 564 HA LYS 59 HA LYS 59 -2.492 8.182 2.698 565 1HB LYS 59 2HB LYS 59 -2.123 11.138 3.315 566 2HB LYS 59 3HB LYS 59 -2.944 10.482 1.904 567 1HG LYS 59 2HG LYS 59 -4.734 9.583 3.196 568 2HG LYS 59 3HG LYS 59 -3.886 9.839 4.731 569 1HD LYS 59 2HD LYS 59 -3.913 12.250 4.435 570 2HD LYS 59 3HD LYS 59 -4.705 12.087 2.855 571 1HE LYS 59 2HE LYS 59 -6.709 11.108 3.930 572 2HE LYS 59 3HE LYS 59 -5.911 11.140 5.511 573 1HZ LYS 59 2HZ LYS 59 -6.558 13.524 3.905 574 2HZ LYS 59 3HZ LYS 59 -7.403 12.992 5.210 575 3HZ LYS 59 1HZ LYS 59 -5.861 13.523 5.395 576 QB LYS 59 QB LYS 59 -2.534 10.810 2.609 577 QG LYS 59 QG LYS 59 -4.310 9.711 3.963 578 QD LYS 59 QD LYS 59 -4.309 12.169 3.645 579 QE LYS 59 QE LYS 59 -6.310 11.124 4.720 580 QZ LYS 59 QZ LYS 59 -6.607 13.347 4.837 581 H CYS 60 HN CYS 60 0.377 7.751 3.487 582 HA CYS 60 HA CYS 60 1.945 9.268 1.595 583 1HB CYS 60 2HB CYS 60 3.774 7.911 2.270 584 2HB CYS 60 3HB CYS 60 2.787 8.290 3.668 585 QB CYS 60 QB CYS 60 3.280 8.100 2.969 586 H ASN 61 HN ASN 61 0.238 6.175 1.423 587 HA ASN 61 HA ASN 61 1.746 5.233 -0.858 588 1HB ASN 61 2HB ASN 61 0.517 3.209 -0.531 589 2HB ASN 61 3HB ASN 61 1.075 3.796 1.049 590 1HD2 ASN 61 2HD2 ASN 61 -2.662 2.723 0.916 591 2HD2 ASN 61 1HD2 ASN 61 -1.152 1.960 0.385 592 QB ASN 61 QB ASN 61 0.796 3.503 0.259 593 QD2 ASN 61 QD2 ASN 61 -1.907 2.342 0.651 594 OH TYR 62 OH TYR 62 -4.382 11.838 -6.637 595 H TYR 62 HN TYR 62 0.714 7.444 -1.910 596 HA TYR 62 HA TYR 62 -1.950 7.295 -2.870 597 1HB TYR 62 2HB TYR 62 -0.291 9.356 -2.749 598 2HB TYR 62 3HB TYR 62 0.225 8.696 -4.332 599 HD1 TYR 62 HD1 TYR 62 -3.368 8.905 -3.318 600 HD2 TYR 62 HD2 TYR 62 -0.139 10.592 -5.627 601 HE1 TYR 62 HE1 TYR 62 -4.993 10.191 -4.644 602 HE2 TYR 62 HE2 TYR 62 -1.775 11.895 -6.944 603 HH TYR 62 HH TYR 62 -5.293 11.724 -6.365 604 QB TYR 62 QB TYR 62 -0.033 9.026 -3.540 605 QR TYR 62 QR TYR 62 -2.569 10.395 -5.133 Start of MODEL 8 Raw file had 605 H/Q atoms Start of MODEL 8 1 NH1 ARG 1 NH2 ARG 1 -0.402 5.846 6.510 2 NH2 ARG 1 NH1 ARG 1 1.674 4.862 6.786 3 H ARG 1 HN ARG 1 -4.984 5.482 12.336 4 HA ARG 1 HA ARG 1 -3.031 6.512 11.216 5 1HB ARG 1 2HB ARG 1 -1.472 4.639 11.527 6 2HB ARG 1 3HB ARG 1 -2.562 3.568 10.652 7 1HG ARG 1 2HG ARG 1 -0.754 3.996 9.284 8 2HG ARG 1 3HG ARG 1 -2.127 4.750 8.527 9 1HD ARG 1 2HD ARG 1 -1.205 6.924 8.832 10 2HD ARG 1 3HD ARG 1 -0.355 6.480 10.295 11 HE ARG 1 HE ARG 1 1.414 5.557 9.132 12 1HH1 ARG 1 2HH2 ARG 1 -1.273 6.239 6.863 13 2HH1 ARG 1 1HH2 ARG 1 -0.375 5.679 5.514 14 1HH2 ARG 1 2HH1 ARG 1 2.354 4.506 7.458 15 2HH2 ARG 1 1HH1 ARG 1 1.639 4.468 5.857 16 QB ARG 1 QB ARG 1 -2.017 4.103 11.089 17 QG ARG 1 QG ARG 1 -1.440 4.373 8.905 18 QD ARG 1 QD ARG 1 -0.780 6.702 9.563 19 QH1 ARG 1 QH2 ARG 1 -0.824 5.959 6.189 20 QH2 ARG 1 QH1 ARG 1 1.996 4.487 6.658 21 H ILE 2 HN ILE 2 -3.412 7.186 8.927 22 HA ILE 2 HA ILE 2 -5.805 5.884 7.719 23 HB ILE 2 HB ILE 2 -5.054 8.742 7.269 24 1HG1 ILE 2 2HG1 ILE 2 -5.168 8.713 9.660 25 2HG1 ILE 2 3HG1 ILE 2 -6.485 9.618 8.921 26 1HG2 ILE 2 2HG2 ILE 2 -7.684 7.254 7.098 27 2HG2 ILE 2 3HG2 ILE 2 -7.450 8.985 6.772 28 3HG2 ILE 2 1HG2 ILE 2 -6.663 7.783 5.745 29 1HD1 ILE 2 1HD1 ILE 2 -6.743 6.786 9.973 30 2HD1 ILE 2 2HD1 ILE 2 -7.207 8.263 10.842 31 3HD1 ILE 2 3HD1 ILE 2 -8.044 7.825 9.333 32 QG1 ILE 2 QG1 ILE 2 -5.826 9.165 9.291 33 QG2 ILE 2 QG2 ILE 2 -7.265 8.008 6.538 34 QD1 ILE 2 QD1 ILE 2 -7.331 7.625 10.049 35 H CYS 3 HN CYS 3 -5.736 5.682 5.379 36 HA CYS 3 HA CYS 3 -3.406 6.567 3.883 37 1HB CYS 3 2HB CYS 3 -3.315 4.058 5.202 38 2HB CYS 3 3HB CYS 3 -3.547 3.692 3.507 39 QB CYS 3 QB CYS 3 -3.431 3.875 4.355 40 OH TYR 4 OH TYR 4 -4.680 11.589 -0.850 41 H TYR 4 HN TYR 4 -3.524 5.520 1.602 42 HA TYR 4 HA TYR 4 -6.289 5.794 0.640 43 1HB TYR 4 2HB TYR 4 -3.624 5.539 -0.765 44 2HB TYR 4 3HB TYR 4 -5.149 5.525 -1.596 45 HD1 TYR 4 HD2 TYR 4 -6.783 7.583 -1.116 46 HD2 TYR 4 HD1 TYR 4 -2.556 7.615 -0.240 47 HE1 TYR 4 HE2 TYR 4 -6.782 10.061 -1.166 48 HE2 TYR 4 HE1 TYR 4 -2.541 10.066 -0.508 49 HH TYR 4 HH TYR 4 -3.801 11.973 -0.800 50 QB TYR 4 QB TYR 4 -4.386 5.532 -1.181 51 QR TYR 4 QR TYR 4 -4.666 8.831 -0.757 52 H ASN 5 HN ASN 5 -7.330 4.193 -0.569 53 HA ASN 5 HA ASN 5 -6.120 1.463 -0.686 54 1HB ASN 5 2HB ASN 5 -8.167 0.428 0.124 55 2HB ASN 5 3HB ASN 5 -7.527 1.514 1.350 56 1HD2 ASN 5 2HD2 ASN 5 -10.309 3.689 1.368 57 2HD2 ASN 5 1HD2 ASN 5 -8.630 3.445 1.825 58 QB ASN 5 QB ASN 5 -7.847 0.971 0.737 59 QD2 ASN 5 QD2 ASN 5 -9.470 3.567 1.596 60 H HIS 6 HN HIS 6 -6.704 3.687 -2.696 61 HA HIS 6 HA HIS 6 -8.831 2.482 -4.353 62 1HB HIS 6 2HB HIS 6 -8.227 4.142 -6.069 63 2HB HIS 6 3HB HIS 6 -8.721 4.797 -4.525 64 HD1 HIS 6 HD1 HIS 6 -5.854 5.058 -6.967 65 HD2 HIS 6 HD2 HIS 6 -6.887 6.019 -2.992 66 HE1 HIS 6 HE1 HIS 6 -4.086 6.819 -6.089 67 HE2 HIS 6 HE2 HIS 6 -4.716 7.318 -3.725 68 QB HIS 6 QB HIS 6 -8.474 4.470 -5.297 69 H GLN 7 HN GLN 7 -8.366 1.749 -6.562 70 HA GLN 7 HA GLN 7 -6.099 -0.076 -6.688 71 1HB GLN 7 2HB GLN 7 -8.488 -0.428 -7.595 72 2HB GLN 7 3HB GLN 7 -8.086 0.679 -8.887 73 1HG GLN 7 2HG GLN 7 -7.749 -1.505 -9.743 74 2HG GLN 7 3HG GLN 7 -6.109 -0.927 -9.429 75 1HE2 GLN 7 2HE2 GLN 7 -6.261 -4.386 -8.137 76 2HE2 GLN 7 1HE2 GLN 7 -6.236 -3.576 -9.693 77 QB GLN 7 QB GLN 7 -8.287 0.125 -8.241 78 QG GLN 7 QG GLN 7 -6.929 -1.216 -9.586 79 QE2 GLN 7 QE2 GLN 7 -6.248 -3.981 -8.915 80 H SER 8 HN SER 8 -6.289 1.108 -9.753 81 HA SER 8 HA SER 8 -3.928 2.722 -9.713 82 1HB SER 8 2HB SER 8 -4.750 1.292 -11.638 83 2HB SER 8 3HB SER 8 -6.044 2.480 -11.899 84 HG SER 8 HG SER 8 -4.022 2.705 -13.174 85 QB SER 8 QB SER 8 -5.397 1.886 -11.769 86 H THR 9 HN THR 9 -4.689 4.690 -11.551 87 HA THR 9 HA THR 9 -5.397 6.837 -9.669 88 HB THR 9 HB THR 9 -4.900 7.062 -12.670 89 HG1 THR 9 1HG THR 9 -3.138 6.017 -11.794 90 1HG2 THR 9 1HG2 THR 9 -4.484 8.982 -10.325 91 2HG2 THR 9 2HG2 THR 9 -4.043 9.298 -12.011 92 3HG2 THR 9 3HG2 THR 9 -5.748 9.121 -11.567 93 QG2 THR 9 QG2 THR 9 -4.758 9.134 -11.301 94 H THR 10 HN THR 10 -7.330 5.091 -9.622 95 HA THR 10 HA THR 10 -9.650 6.138 -11.206 96 HB THR 10 HB THR 10 -10.687 3.895 -10.495 97 HG1 THR 10 1HG THR 10 -7.969 3.299 -9.942 98 1HG2 THR 10 2HG2 THR 10 -9.896 4.314 -12.787 99 2HG2 THR 10 3HG2 THR 10 -8.278 3.735 -12.352 100 3HG2 THR 10 1HG2 THR 10 -9.671 2.632 -12.292 101 QG2 THR 10 QG2 THR 10 -9.282 3.560 -12.477 102 NH1 ARG 11 NH2 ARG 11 -14.654 2.543 -6.804 103 NH2 ARG 11 NH1 ARG 11 -14.318 2.092 -4.561 104 H ARG 11 HN ARG 11 -11.672 5.517 -9.622 105 HA ARG 11 HA ARG 11 -12.209 7.426 -7.967 106 1HB ARG 11 2HB ARG 11 -13.649 5.406 -8.464 107 2HB ARG 11 3HB ARG 11 -12.824 4.574 -7.131 108 1HG ARG 11 2HG ARG 11 -13.592 6.509 -5.614 109 2HG ARG 11 3HG ARG 11 -14.498 7.123 -7.001 110 1HD ARG 11 2HD ARG 11 -16.018 5.935 -5.630 111 2HD ARG 11 3HD ARG 11 -15.792 4.943 -7.054 112 HE ARG 11 HE ARG 11 -14.838 4.520 -4.258 113 1HH1 ARG 11 2HH2 ARG 11 -14.865 3.202 -7.537 114 2HH1 ARG 11 1HH2 ARG 11 -14.465 1.584 -7.057 115 1HH2 ARG 11 2HH1 ARG 11 -14.308 2.386 -3.595 116 2HH2 ARG 11 1HH1 ARG 11 -14.092 1.130 -4.764 117 QB ARG 11 QB ARG 11 -13.237 4.990 -7.797 118 QG ARG 11 QG ARG 11 -14.045 6.816 -6.307 119 QD ARG 11 QD ARG 11 -15.905 5.439 -6.342 120 QH1 ARG 11 QH2 ARG 11 -14.665 2.393 -7.297 121 QH2 ARG 11 QH1 ARG 11 -14.200 1.758 -4.179 122 H ALA 12 HN ALA 12 -10.836 8.460 -6.584 123 HA ALA 12 HA ALA 12 -8.914 7.194 -4.929 124 1HB ALA 12 1HB ALA 12 -8.731 9.521 -5.657 125 2HB ALA 12 2HB ALA 12 -10.179 9.954 -4.719 126 3HB ALA 12 3HB ALA 12 -8.703 9.426 -3.884 127 QB ALA 12 QB ALA 12 -9.204 9.634 -4.753 128 H THR 13 HN THR 13 -9.191 6.088 -3.018 129 HA THR 13 HA THR 13 -11.425 6.812 -1.212 130 HB THR 13 HB THR 13 -11.559 4.370 -0.678 131 HG1 THR 13 1HG THR 13 -10.429 2.966 -1.821 132 1HG2 THR 13 3HG2 THR 13 -13.244 5.483 -2.154 133 2HG2 THR 13 1HG2 THR 13 -12.279 5.019 -3.573 134 3HG2 THR 13 2HG2 THR 13 -12.993 3.766 -2.535 135 QG2 THR 13 QG2 THR 13 -12.839 4.756 -2.754 136 H THR 14 HN THR 14 -10.873 6.835 0.893 137 HA THR 14 HA THR 14 -8.112 6.134 1.712 138 HB THR 14 HB THR 14 -8.636 7.883 3.547 139 HG1 THR 14 1HG THR 14 -10.891 8.026 3.092 140 1HG2 THR 14 2HG2 THR 14 -8.435 8.837 0.656 141 2HG2 THR 14 3HG2 THR 14 -8.037 9.787 2.101 142 3HG2 THR 14 1HG2 THR 14 -7.074 8.350 1.696 143 QG2 THR 14 QG2 THR 14 -7.849 8.991 1.484 144 H LYS 15 HN LYS 15 -7.943 5.244 3.895 145 HA LYS 15 HA LYS 15 -10.363 4.561 5.321 146 1HB LYS 15 2HB LYS 15 -10.269 2.768 3.624 147 2HB LYS 15 3HB LYS 15 -8.652 2.290 4.213 148 1HG LYS 15 2HG LYS 15 -9.594 1.448 6.233 149 2HG LYS 15 3HG LYS 15 -11.139 2.311 5.952 150 1HD LYS 15 2HD LYS 15 -11.567 0.839 4.001 151 2HD LYS 15 3HD LYS 15 -10.045 -0.025 4.333 152 1HE LYS 15 2HE LYS 15 -10.894 -0.655 6.593 153 2HE LYS 15 3HE LYS 15 -12.390 0.243 6.296 154 1HZ LYS 15 1HZ LYS 15 -12.886 -1.286 4.510 155 2HZ LYS 15 2HZ LYS 15 -11.505 -2.136 4.805 156 3HZ LYS 15 3HZ LYS 15 -12.693 -2.078 5.936 157 QB LYS 15 QB LYS 15 -9.461 2.529 3.918 158 QG LYS 15 QG LYS 15 -10.367 1.879 6.092 159 QD LYS 15 QD LYS 15 -10.806 0.407 4.167 160 QE LYS 15 QE LYS 15 -11.642 -0.206 6.445 161 QZ LYS 15 QZ LYS 15 -12.361 -1.834 5.083 162 H SER 16 HN SER 16 -9.681 3.221 7.225 163 HA SER 16 HA SER 16 -7.229 4.396 8.425 164 1HB SER 16 2HB SER 16 -9.398 5.095 9.435 165 2HB SER 16 3HB SER 16 -9.697 3.393 9.873 166 HG SER 16 HG SER 16 -8.723 4.508 11.591 167 QB SER 16 QB SER 16 -9.547 4.244 9.654 168 H CYS 17 HN CYS 17 -5.971 3.056 9.739 169 HA CYS 17 HA CYS 17 -6.304 0.139 9.878 170 1HB CYS 17 2HB CYS 17 -4.332 1.379 8.079 171 2HB CYS 17 3HB CYS 17 -3.973 -0.088 8.993 172 QB CYS 17 QB CYS 17 -4.153 0.645 8.536 173 H GLU 20 HN GLU 20 -4.439 -0.724 11.302 174 HA GLU 20 HA GLU 20 -4.115 1.241 13.490 175 1HB GLU 20 2HB GLU 20 -3.725 -0.719 14.870 176 2HB GLU 20 3HB GLU 20 -5.267 -0.767 13.995 177 1HG GLU 20 2HG GLU 20 -4.365 -2.400 12.391 178 2HG GLU 20 3HG GLU 20 -2.804 -2.368 13.233 179 QB GLU 20 QB GLU 20 -4.496 -0.743 14.432 180 QG GLU 20 QG GLU 20 -3.585 -2.384 12.812 181 H GLU 21 HN GLU 21 -2.247 -0.920 11.378 182 HA GLU 21 HA GLU 21 0.315 -0.536 12.418 183 1HB GLU 21 2HB GLU 21 -0.214 -0.596 9.442 184 2HB GLU 21 3HB GLU 21 1.142 -1.270 10.340 185 1HG GLU 21 2HG GLU 21 0.018 -3.206 9.874 186 2HG GLU 21 3HG GLU 21 -0.745 -2.837 11.410 187 QB GLU 21 QB GLU 21 0.464 -0.933 9.891 188 QG GLU 21 QG GLU 21 -0.364 -3.022 10.642 189 H ASN 22 HN ASN 22 1.911 1.008 12.038 190 HA ASN 22 HA ASN 22 1.027 3.700 11.246 191 1HB ASN 22 2HB ASN 22 2.593 3.135 13.180 192 2HB ASN 22 3HB ASN 22 3.851 2.882 11.971 193 1HD2 ASN 22 2HD2 ASN 22 3.822 6.506 11.129 194 2HD2 ASN 22 1HD2 ASN 22 3.714 4.993 10.239 195 QB ASN 22 QB ASN 22 3.222 3.008 12.575 196 QD2 ASN 22 QD2 ASN 22 3.768 5.750 10.684 197 H SER 23 HN SER 23 2.412 0.915 9.643 198 HA SER 23 HA SER 23 3.657 2.440 7.487 199 1HB SER 23 2HB SER 23 3.863 -0.108 6.736 200 2HB SER 23 3HB SER 23 4.913 0.605 7.959 201 HG SER 23 HG SER 23 3.999 -1.377 8.687 202 QB SER 23 QB SER 23 4.388 0.248 7.347 203 H CYS 24 HN CYS 24 3.180 1.910 5.315 204 HA CYS 24 HA CYS 24 0.667 0.560 4.673 205 1HB CYS 24 2HB CYS 24 1.333 3.322 3.553 206 2HB CYS 24 3HB CYS 24 0.072 2.262 2.930 207 QB CYS 24 QB CYS 24 0.702 2.792 3.241 208 OH TYR 25 OH TYR 25 -1.838 -5.452 0.810 209 H TYR 25 HN TYR 25 0.598 0.172 2.238 210 HA TYR 25 HA TYR 25 3.244 0.169 1.016 211 1HB TYR 25 2HB TYR 25 3.293 -2.155 0.564 212 2HB TYR 25 3HB TYR 25 2.913 -2.012 2.273 213 HD1 TYR 25 HD2 TYR 25 0.360 -2.089 2.917 214 HD2 TYR 25 HD1 TYR 25 1.983 -3.581 -0.792 215 HE1 TYR 25 HE2 TYR 25 -1.543 -3.649 2.705 216 HE2 TYR 25 HE1 TYR 25 0.084 -5.165 -0.973 217 HH TYR 25 HH TYR 25 -2.493 -5.337 1.501 218 QB TYR 25 QB TYR 25 3.103 -2.084 1.418 219 QR TYR 25 QR TYR 25 0.221 -3.621 0.964 220 H LYS 26 HN LYS 26 3.324 -0.175 -1.189 221 HA LYS 26 HA LYS 26 0.737 0.087 -2.661 222 1HB LYS 26 2HB LYS 26 1.870 2.299 -2.441 223 2HB LYS 26 3HB LYS 26 3.338 1.622 -3.116 224 1HG LYS 26 2HG LYS 26 2.287 1.216 -5.246 225 2HG LYS 26 3HG LYS 26 0.682 1.631 -4.608 226 1HD LYS 26 2HD LYS 26 1.101 3.915 -4.569 227 2HD LYS 26 3HD LYS 26 2.810 3.710 -4.228 228 1HE LYS 26 2HE LYS 26 2.443 4.701 -6.444 229 2HE LYS 26 3HE LYS 26 3.346 3.168 -6.508 230 1HZ LYS 26 3HZ LYS 26 1.291 2.095 -7.146 231 2HZ LYS 26 1HZ LYS 26 0.532 3.552 -7.160 232 3HZ LYS 26 2HZ LYS 26 1.748 3.261 -8.223 233 QB LYS 26 QB LYS 26 2.604 1.960 -2.778 234 QG LYS 26 QG LYS 26 1.485 1.423 -4.927 235 QD LYS 26 QD LYS 26 1.955 3.812 -4.398 236 QE LYS 26 QE LYS 26 2.895 3.934 -6.476 237 QZ LYS 26 QZ LYS 26 1.190 2.970 -7.510 238 H LYS 27 HN LYS 27 0.652 -1.397 -4.317 239 HA LYS 27 HA LYS 27 3.132 -2.841 -5.125 240 1HB LYS 27 2HB LYS 27 2.071 -4.403 -3.801 241 2HB LYS 27 3HB LYS 27 0.449 -3.811 -4.165 242 1HG LYS 27 2HG LYS 27 0.420 -4.846 -6.333 243 2HG LYS 27 3HG LYS 27 2.147 -5.240 -6.229 244 1HD LYS 27 2HD LYS 27 1.808 -7.079 -4.985 245 2HD LYS 27 3HD LYS 27 0.632 -6.302 -3.930 246 1HE LYS 27 2HE LYS 27 -0.100 -7.305 -6.723 247 2HE LYS 27 3HE LYS 27 -0.187 -8.297 -5.256 248 1HZ LYS 27 1HZ LYS 27 -1.607 -6.541 -4.296 249 2HZ LYS 27 2HZ LYS 27 -1.705 -5.841 -5.740 250 3HZ LYS 27 3HZ LYS 27 -2.307 -7.362 -5.555 251 QB LYS 27 QB LYS 27 1.260 -4.107 -3.983 252 QG LYS 27 QG LYS 27 1.283 -5.043 -6.281 253 QD LYS 27 QD LYS 27 1.220 -6.690 -4.458 254 QE LYS 27 QE LYS 27 -0.144 -7.801 -5.989 255 QZ LYS 27 QZ LYS 27 -1.873 -6.581 -5.197 256 OH TYR 28 OH TYR 28 7.361 1.139 -8.107 257 H TYR 28 HN TYR 28 3.317 -3.288 -7.427 258 HA TYR 28 HA TYR 28 0.959 -2.840 -9.016 259 1HB TYR 28 2HB TYR 28 2.387 -1.443 -10.560 260 2HB TYR 28 3HB TYR 28 1.670 -0.697 -9.140 261 HD1 TYR 28 HD1 TYR 28 4.945 -2.590 -9.028 262 HD2 TYR 28 HD2 TYR 28 3.020 1.255 -9.383 263 HE1 TYR 28 HE1 TYR 28 7.060 -1.477 -8.463 264 HE2 TYR 28 HE2 TYR 28 5.166 2.367 -8.824 265 HH TYR 28 HH TYR 28 8.133 0.567 -8.087 266 QB TYR 28 QB TYR 28 2.028 -1.070 -9.850 267 QR TYR 28 QR TYR 28 5.047 -0.112 -8.925 268 CH2 TRP 29 CH2 TRP 29 -3.127 -6.034 -9.505 269 H TRP 29 HN TRP 29 1.080 -3.596 -11.206 270 HA TRP 29 HA TRP 29 3.473 -5.046 -12.035 271 1HB TRP 29 2HB TRP 29 2.269 -7.036 -12.650 272 2HB TRP 29 3HB TRP 29 2.178 -6.794 -10.923 273 HD1 TRP 29 HD1 TRP 29 0.117 -7.245 -14.026 274 HE1 TRP 29 HE1 TRP 29 -2.364 -7.087 -13.633 275 HE3 TRP 29 HE3 TRP 29 0.246 -5.640 -9.159 276 HZ2 TRP 29 HZ2 TRP 29 -4.120 -6.656 -11.325 277 HZ3 TRP 29 HZ3 TRP 29 -1.863 -5.319 -7.913 278 HH2 TRP 29 HH2 TRP 29 -4.041 -5.909 -8.947 279 QB TRP 29 QB TRP 29 2.224 -6.915 -11.787 280 NH1 ARG 30 NH2 ARG 30 5.698 -1.986 -18.353 281 NH2 ARG 30 NH1 ARG 30 5.303 -0.855 -20.336 282 H ARG 30 HN ARG 30 3.507 -5.293 -14.298 283 HA ARG 30 HA ARG 30 2.145 -3.203 -15.783 284 1HB ARG 30 2HB ARG 30 4.312 -3.955 -16.484 285 2HB ARG 30 3HB ARG 30 3.634 -5.579 -16.879 286 1HG ARG 30 2HG ARG 30 2.192 -4.541 -18.603 287 2HG ARG 30 3HG ARG 30 2.824 -2.952 -18.170 288 1HD ARG 30 2HD ARG 30 5.106 -4.609 -18.790 289 2HD ARG 30 3HD ARG 30 3.866 -5.003 -19.959 290 HE ARG 30 HE ARG 30 4.070 -2.971 -20.960 291 1HH1 ARG 30 2HH2 ARG 30 5.553 -2.810 -17.789 292 2HH1 ARG 30 1HH2 ARG 30 6.237 -1.223 -17.974 293 1HH2 ARG 30 2HH1 ARG 30 4.887 -0.810 -21.255 294 2HH2 ARG 30 1HH1 ARG 30 5.814 -0.051 -20.005 295 QB ARG 30 QB ARG 30 3.973 -4.767 -16.681 296 QG ARG 30 QG ARG 30 2.508 -3.747 -18.387 297 QD ARG 30 QD ARG 30 4.486 -4.806 -19.375 298 QH1 ARG 30 QH2 ARG 30 5.895 -2.017 -17.882 299 QH2 ARG 30 QH1 ARG 30 5.351 -0.430 -20.630 300 H ASP 31 HN ASP 31 0.505 -3.425 -17.168 301 HA ASP 31 HA ASP 31 -0.900 -5.926 -17.647 302 1HB ASP 31 2HB ASP 31 -1.469 -5.075 -15.172 303 2HB ASP 31 3HB ASP 31 -2.557 -3.991 -16.037 304 QB ASP 31 QB ASP 31 -2.013 -4.533 -15.604 305 H HIS 32 HN HIS 32 -3.151 -5.340 -18.617 306 HA HIS 32 HA HIS 32 -3.764 -4.765 -20.814 307 1HB HIS 32 2HB HIS 32 -5.194 -3.955 -18.954 308 2HB HIS 32 3HB HIS 32 -4.436 -2.380 -19.050 309 HD1 HIS 32 HD1 HIS 32 -6.109 -4.788 -21.636 310 HD2 HIS 32 HD2 HIS 32 -6.133 -0.776 -20.319 311 HE1 HIS 32 HE1 HIS 32 -7.850 -3.554 -23.072 312 HE2 HIS 32 HE2 HIS 32 -7.858 -1.117 -22.255 313 QB HIS 32 QB HIS 32 -4.815 -3.167 -19.002 314 NH1 ARG 33 NH2 ARG 33 -3.932 -0.402 -26.962 315 NH2 ARG 33 NH1 ARG 33 -3.321 -2.439 -27.882 316 H ARG 33 HN ARG 33 -3.480 -1.319 -20.523 317 HA ARG 33 HA ARG 33 -0.873 -1.183 -21.913 318 1HB ARG 33 2HB ARG 33 -3.466 0.409 -22.384 319 2HB ARG 33 3HB ARG 33 -1.857 1.001 -22.809 320 1HG ARG 33 2HG ARG 33 -2.381 0.144 -24.754 321 2HG ARG 33 3HG ARG 33 -1.555 -1.257 -24.035 322 1HD ARG 33 2HD ARG 33 -3.770 -2.244 -23.508 323 2HD ARG 33 3HD ARG 33 -4.585 -0.896 -24.306 324 HE ARG 33 HE ARG 33 -3.223 -3.189 -25.489 325 1HH1 ARG 33 2HH2 ARG 33 -4.101 0.166 -26.147 326 2HH1 ARG 33 1HH2 ARG 33 -4.002 0.026 -27.874 327 1HH2 ARG 33 2HH1 ARG 33 -3.039 -3.403 -27.780 328 2HH2 ARG 33 1HH1 ARG 33 -3.373 -2.057 -28.815 329 QB ARG 33 QB ARG 33 -2.661 0.705 -22.597 330 QG ARG 33 QG ARG 33 -1.968 -0.556 -24.394 331 QD ARG 33 QD ARG 33 -4.177 -1.570 -23.907 332 QH1 ARG 33 QH2 ARG 33 -4.051 0.096 -27.011 333 QH2 ARG 33 QH1 ARG 33 -3.206 -2.730 -28.297 334 H GLY 34 HN GLY 34 -0.502 -1.355 -19.380 335 1HA GLY 34 1HA GLY 34 0.383 1.203 -18.445 336 2HA GLY 34 2HA GLY 34 -1.229 0.845 -17.802 337 QA GLY 34 QA GLY 34 -0.423 1.024 -18.123 338 H THR 35 HN THR 35 -0.274 0.799 -15.736 339 HA THR 35 HA THR 35 0.560 -1.934 -15.059 340 HB THR 35 HB THR 35 2.295 0.026 -14.843 341 HG1 THR 35 1HG THR 35 3.177 -1.008 -13.006 342 1HG2 THR 35 3HG2 THR 35 0.759 1.529 -13.499 343 2HG2 THR 35 1HG2 THR 35 0.990 0.385 -12.146 344 3HG2 THR 35 2HG2 THR 35 2.374 1.256 -12.821 345 QG2 THR 35 QG2 THR 35 1.374 1.057 -12.822 346 H ILE 36 HN ILE 36 -0.697 -2.797 -13.345 347 HA ILE 36 HA ILE 36 -3.023 -1.100 -12.477 348 HB ILE 36 HB ILE 36 -2.613 -4.087 -12.441 349 1HG1 ILE 36 2HG1 ILE 36 -3.601 -2.795 -14.484 350 2HG1 ILE 36 3HG1 ILE 36 -4.413 -4.249 -13.896 351 1HG2 ILE 36 2HG2 ILE 36 -4.710 -2.418 -10.980 352 2HG2 ILE 36 3HG2 ILE 36 -4.851 -4.166 -11.268 353 3HG2 ILE 36 1HG2 ILE 36 -3.547 -3.526 -10.258 354 1HD1 ILE 36 1HD1 ILE 36 -5.276 -1.429 -13.125 355 2HD1 ILE 36 2HD1 ILE 36 -5.948 -2.353 -14.480 356 3HD1 ILE 36 3HD1 ILE 36 -6.155 -2.950 -12.835 357 QG1 ILE 36 QG1 ILE 36 -4.007 -3.522 -14.190 358 QG2 ILE 36 QG2 ILE 36 -4.369 -3.370 -10.835 359 QD1 ILE 36 QD1 ILE 36 -5.793 -2.244 -13.480 360 H ILE 37 HN ILE 37 -3.197 -0.629 -10.334 361 HA ILE 37 HA ILE 37 -0.799 -1.103 -8.651 362 HB ILE 37 HB ILE 37 -2.709 1.267 -8.704 363 1HG1 ILE 37 2HG1 ILE 37 -0.602 2.606 -9.196 364 2HG1 ILE 37 3HG1 ILE 37 0.250 1.086 -9.506 365 1HG2 ILE 37 2HG2 ILE 37 -0.255 0.630 -6.979 366 2HG2 ILE 37 3HG2 ILE 37 -1.013 2.214 -7.056 367 3HG2 ILE 37 1HG2 ILE 37 -1.927 0.867 -6.431 368 1HD1 ILE 37 3HD1 ILE 37 -2.198 2.050 -11.039 369 2HD1 ILE 37 1HD1 ILE 37 -0.521 2.385 -11.514 370 3HD1 ILE 37 2HD1 ILE 37 -1.109 0.724 -11.481 371 QG1 ILE 37 QG1 ILE 37 -0.176 1.846 -9.351 372 QG2 ILE 37 QG2 ILE 37 -1.065 1.237 -6.822 373 QD1 ILE 37 QD1 ILE 37 -1.276 1.720 -11.345 374 H GLU 38 HN GLU 38 -1.212 -1.698 -6.551 375 HA GLU 38 HA GLU 38 -3.995 -1.871 -5.528 376 1HB GLU 38 2HB GLU 38 -3.339 -4.105 -6.110 377 2HB GLU 38 3HB GLU 38 -1.731 -3.879 -5.375 378 1HG GLU 38 2HG GLU 38 -4.088 -3.550 -3.546 379 2HG GLU 38 3HG GLU 38 -3.776 -5.180 -4.141 380 QB GLU 38 QB GLU 38 -2.535 -3.992 -5.742 381 QG GLU 38 QG GLU 38 -3.932 -4.365 -3.843 382 NH1 ARG 39 NH2 ARG 39 -3.015 3.956 -6.891 383 NH2 ARG 39 NH1 ARG 39 -1.012 5.022 -6.692 384 H ARG 39 HN ARG 39 -4.040 -1.208 -3.269 385 HA ARG 39 HA ARG 39 -1.584 -0.052 -2.115 386 1HB ARG 39 2HB ARG 39 -4.211 1.370 -2.771 387 2HB ARG 39 3HB ARG 39 -3.104 1.949 -1.531 388 1HG ARG 39 2HG ARG 39 -1.350 2.330 -3.064 389 2HG ARG 39 3HG ARG 39 -2.183 1.460 -4.364 390 1HD ARG 39 2HD ARG 39 -3.933 3.189 -4.488 391 2HD ARG 39 3HD ARG 39 -3.244 3.986 -3.089 392 HE ARG 39 HE ARG 39 -1.352 4.664 -4.208 393 1HH1 ARG 39 2HH2 ARG 39 -3.743 3.330 -6.545 394 2HH1 ARG 39 1HH2 ARG 39 -3.010 4.121 -7.881 395 1HH2 ARG 39 2HH1 ARG 39 -0.548 5.644 -6.017 396 2HH2 ARG 39 1HH1 ARG 39 -1.082 5.362 -7.637 397 QB ARG 39 QB ARG 39 -3.658 1.660 -2.151 398 QG ARG 39 QG ARG 39 -1.767 1.895 -3.714 399 QD ARG 39 QD ARG 39 -3.589 3.588 -3.789 400 QH1 ARG 39 QH2 ARG 39 -3.377 3.726 -7.213 401 QH2 ARG 39 QH1 ARG 39 -0.815 5.503 -6.827 402 H GLY 40 HN GLY 40 -1.550 -0.379 0.101 403 1HA GLY 40 1HA GLY 40 -4.078 -0.598 1.563 404 2HA GLY 40 2HA GLY 40 -3.147 -2.102 1.490 405 QA GLY 40 QA GLY 40 -3.612 -1.350 1.527 406 H CYS 41 HN CYS 41 -3.432 -1.402 3.904 407 HA CYS 41 HA CYS 41 -1.431 0.465 4.936 408 1HB CYS 41 2HB CYS 41 -2.809 0.255 6.960 409 2HB CYS 41 3HB CYS 41 -3.807 0.587 5.544 410 QB CYS 41 QB CYS 41 -3.308 0.421 6.252 411 H GLY 42 HN GLY 42 -0.156 -0.379 6.908 412 1HA GLY 42 1HA GLY 42 1.129 -2.009 7.966 413 2HA GLY 42 2HA GLY 42 0.251 -3.279 7.105 414 QA GLY 42 QA GLY 42 0.690 -2.644 7.535 415 H CYS 43 HN CYS 43 2.398 -4.251 6.699 416 HA CYS 43 HA CYS 43 3.443 -3.391 4.094 417 1HB CYS 43 2HB CYS 43 4.848 -2.081 5.627 418 2HB CYS 43 3HB CYS 43 5.301 -3.568 6.474 419 QB CYS 43 QB CYS 43 5.075 -2.824 6.051 420 HA PRO 44 HA PRO 44 3.378 -7.983 4.754 421 1HB PRO 44 2HB PRO 44 1.596 -8.720 2.837 422 2HB PRO 44 3HB PRO 44 1.057 -8.022 4.390 423 1HG PRO 44 2HG PRO 44 1.464 -6.565 1.760 424 2HG PRO 44 3HG PRO 44 0.013 -6.549 2.803 425 1HD PRO 44 2HD PRO 44 1.963 -4.621 2.923 426 2HD PRO 44 3HD PRO 44 1.063 -5.135 4.379 427 QB PRO 44 QB PRO 44 1.326 -8.371 3.613 428 QG PRO 44 QG PRO 44 0.739 -6.557 2.282 429 QD PRO 44 QD PRO 44 1.513 -4.878 3.651 430 H LYS 45 HN LYS 45 3.657 -9.650 2.787 431 HA LYS 45 HA LYS 45 5.561 -8.513 0.787 432 1HB LYS 45 2HB LYS 45 6.657 -9.908 2.353 433 2HB LYS 45 3HB LYS 45 5.521 -11.251 2.112 434 1HG LYS 45 2HG LYS 45 6.359 -11.516 -0.203 435 2HG LYS 45 3HG LYS 45 7.440 -10.132 0.000 436 1HD LYS 45 2HD LYS 45 7.486 -12.847 1.397 437 2HD LYS 45 3HD LYS 45 8.650 -12.245 0.225 438 1HE LYS 45 2HE LYS 45 8.256 -11.347 3.121 439 2HE LYS 45 3HE LYS 45 9.652 -12.162 2.419 440 1HZ LYS 45 1HZ LYS 45 10.073 -10.184 1.106 441 2HZ LYS 45 2HZ LYS 45 8.776 -9.423 1.783 442 3HZ LYS 45 3HZ LYS 45 10.064 -9.836 2.713 443 QB LYS 45 QB LYS 45 6.089 -10.580 2.233 444 QG LYS 45 QG LYS 45 6.900 -10.824 -0.102 445 QD LYS 45 QD LYS 45 8.068 -12.546 0.811 446 QE LYS 45 QE LYS 45 8.954 -11.754 2.770 447 QZ LYS 45 QZ LYS 45 9.638 -9.814 1.868 448 H VAL 46 HN VAL 46 5.548 -9.670 -1.206 449 HA VAL 46 HA VAL 46 2.918 -10.789 -2.038 450 HB VAL 46 HB VAL 46 2.872 -9.268 -3.967 451 1HG1 VAL 46 1HG1 VAL 46 3.018 -7.833 -1.270 452 2HG1 VAL 46 2HG1 VAL 46 2.301 -7.177 -2.727 453 3HG1 VAL 46 3HG1 VAL 46 1.603 -8.628 -1.983 454 1HG2 VAL 46 1HG2 VAL 46 5.310 -8.783 -4.165 455 2HG2 VAL 46 2HG2 VAL 46 4.325 -7.320 -4.125 456 3HG2 VAL 46 3HG2 VAL 46 5.224 -7.814 -2.678 457 QG1 VAL 46 QG1 VAL 46 2.308 -7.879 -1.993 458 QG2 VAL 46 QG2 VAL 46 4.953 -7.972 -3.656 459 QQG VAL 46 QQG VAL 46 3.630 -7.926 -2.825 460 H LYS 47 HN LYS 47 3.114 -11.490 -4.436 461 HA LYS 47 HA LYS 47 5.151 -13.502 -4.488 462 1HB LYS 47 2HB LYS 47 4.029 -14.281 -6.476 463 2HB LYS 47 3HB LYS 47 2.847 -13.775 -5.317 464 1HG LYS 47 2HG LYS 47 2.645 -11.576 -6.592 465 2HG LYS 47 3HG LYS 47 3.803 -12.199 -7.769 466 1HD LYS 47 2HD LYS 47 1.071 -13.401 -7.140 467 2HD LYS 47 3HD LYS 47 1.494 -12.410 -8.547 468 1HE LYS 47 2HE LYS 47 3.227 -14.168 -9.183 469 2HE LYS 47 3HE LYS 47 2.575 -15.199 -7.897 470 1HZ LYS 47 2HZ LYS 47 1.048 -14.212 -10.208 471 2HZ LYS 47 3HZ LYS 47 1.636 -15.732 -10.007 472 3HZ LYS 47 1HZ LYS 47 0.458 -15.174 -9.008 473 QB LYS 47 QB LYS 47 3.438 -14.028 -5.896 474 QG LYS 47 QG LYS 47 3.224 -11.887 -7.180 475 QD LYS 47 QD LYS 47 1.283 -12.906 -7.844 476 QE LYS 47 QE LYS 47 2.901 -14.683 -8.540 477 QZ LYS 47 QZ LYS 47 1.048 -15.039 -9.741 478 HA PRO 48 HA PRO 48 8.271 -11.398 -6.779 479 1HB PRO 48 2HB PRO 48 9.406 -13.272 -8.417 480 2HB PRO 48 3HB PRO 48 9.529 -13.339 -6.636 481 1HG PRO 48 2HG PRO 48 7.580 -14.815 -8.411 482 2HG PRO 48 3HG PRO 48 8.574 -15.487 -7.086 483 1HD PRO 48 2HD PRO 48 5.977 -14.774 -6.797 484 2HD PRO 48 3HD PRO 48 7.092 -14.566 -5.435 485 QB PRO 48 QB PRO 48 9.467 -13.305 -7.526 486 QG PRO 48 QG PRO 48 8.077 -15.151 -7.748 487 QD PRO 48 QD PRO 48 6.534 -14.670 -6.116 488 H GLY 49 HN GLY 49 8.934 -10.641 -8.976 489 1HA GLY 49 1HA GLY 49 8.453 -9.656 -10.955 490 2HA GLY 49 2HA GLY 49 7.375 -11.013 -11.291 491 QA GLY 49 QA GLY 49 7.914 -10.335 -11.123 492 H VAL 50 HN VAL 50 6.745 -9.149 -8.407 493 HA VAL 50 HA VAL 50 4.803 -7.322 -9.718 494 HB VAL 50 HB VAL 50 4.271 -9.191 -7.353 495 1HG1 VAL 50 2HG1 VAL 50 2.564 -6.956 -8.520 496 2HG1 VAL 50 3HG1 VAL 50 2.030 -8.161 -7.323 497 3HG1 VAL 50 1HG1 VAL 50 3.313 -7.015 -6.906 498 1HG2 VAL 50 2HG2 VAL 50 3.026 -9.011 -10.132 499 2HG2 VAL 50 3HG2 VAL 50 3.972 -10.362 -9.478 500 3HG2 VAL 50 1HG2 VAL 50 2.384 -9.988 -8.798 501 QG1 VAL 50 QG1 VAL 50 2.635 -7.377 -7.583 502 QG2 VAL 50 QG2 VAL 50 3.127 -9.787 -9.470 503 QQG VAL 50 QQG VAL 50 2.881 -8.582 -8.526 504 H GLY 51 HN GLY 51 5.684 -5.328 -9.175 505 1HA GLY 51 1HA GLY 51 7.658 -5.232 -7.133 506 2HA GLY 51 2HA GLY 51 7.133 -3.831 -8.026 507 QA GLY 51 QA GLY 51 7.395 -4.532 -7.580 508 H ILE 52 HN ILE 52 7.656 -3.669 -5.443 509 HA ILE 52 HA ILE 52 5.141 -2.854 -4.237 510 HB ILE 52 HB ILE 52 5.180 -5.173 -3.566 511 1HG1 ILE 52 2HG1 ILE 52 6.038 -3.558 -1.130 512 2HG1 ILE 52 3HG1 ILE 52 4.479 -3.334 -1.944 513 1HG2 ILE 52 3HG2 ILE 52 7.611 -5.627 -3.796 514 2HG2 ILE 52 1HG2 ILE 52 7.929 -4.662 -2.339 515 3HG2 ILE 52 2HG2 ILE 52 7.002 -6.164 -2.236 516 1HD1 ILE 52 2HD1 ILE 52 3.897 -5.675 -1.541 517 2HD1 ILE 52 3HD1 ILE 52 5.421 -5.928 -0.659 518 3HD1 ILE 52 1HD1 ILE 52 4.213 -4.798 -0.037 519 QG1 ILE 52 QG1 ILE 52 5.258 -3.446 -1.537 520 QG2 ILE 52 QG2 ILE 52 7.514 -5.484 -2.790 521 QD1 ILE 52 QD1 ILE 52 4.511 -5.467 -0.745 522 H HIS 53 HN HIS 53 5.409 -1.302 -2.495 523 HA HIS 53 HA HIS 53 8.037 -0.725 -1.479 524 1HB HIS 53 2HB HIS 53 6.865 1.787 -1.646 525 2HB HIS 53 3HB HIS 53 8.105 1.019 -2.627 526 HD1 HIS 53 HD1 HIS 53 4.988 -0.208 -4.024 527 HD2 HIS 53 HD2 HIS 53 7.620 3.068 -4.317 528 HE1 HIS 53 HE1 HIS 53 4.598 0.801 -6.311 529 HE2 HIS 53 HE2 HIS 53 6.262 2.782 -6.528 530 QB HIS 53 QB HIS 53 7.485 1.403 -2.136 531 H CYS 54 HN CYS 54 7.835 0.336 0.587 532 HA CYS 54 HA CYS 54 5.150 0.401 1.772 533 1HB CYS 54 2HB CYS 54 7.643 -0.712 3.081 534 2HB CYS 54 3HB CYS 54 6.156 -0.288 3.931 535 QB CYS 54 QB CYS 54 6.900 -0.500 3.506 536 H CYS 55 HN CYS 55 4.918 2.044 3.389 537 HA CYS 55 HA CYS 55 7.028 4.037 3.692 538 1HB CYS 55 2HB CYS 55 5.645 5.849 2.792 539 2HB CYS 55 3HB CYS 55 6.160 4.695 1.587 540 QB CYS 55 QB CYS 55 5.903 5.272 2.189 541 H GLN 56 HN GLN 56 6.204 5.848 5.027 542 HA GLN 56 HA GLN 56 4.744 4.584 7.325 543 1HB GLN 56 2HB GLN 56 7.294 4.350 7.167 544 2HB GLN 56 3HB GLN 56 7.380 6.093 7.404 545 1HG GLN 56 2HG GLN 56 7.846 5.036 9.469 546 2HG GLN 56 3HG GLN 56 6.264 5.770 9.674 547 1HE2 GLN 56 2HE2 GLN 56 5.948 2.469 11.211 548 2HE2 GLN 56 1HE2 GLN 56 6.581 4.068 11.555 549 QB GLN 56 QB GLN 56 7.337 5.222 7.285 550 QG GLN 56 QG GLN 56 7.055 5.403 9.571 551 QE2 GLN 56 QE2 GLN 56 6.265 3.268 11.383 552 H SER 57 HN SER 57 3.515 6.667 5.694 553 HA SER 57 HA SER 57 2.950 8.508 7.914 554 1HB SER 57 2HB SER 57 3.245 10.481 6.227 555 2HB SER 57 3HB SER 57 4.665 9.821 7.055 556 HG SER 57 HG SER 57 5.016 10.065 4.799 557 QB SER 57 QB SER 57 3.955 10.151 6.641 558 H ASP 58 HN ASP 58 1.016 9.682 7.713 559 HA ASP 58 HA ASP 58 -1.119 8.266 6.655 560 1HB ASP 58 2HB ASP 58 -1.646 9.787 8.356 561 2HB ASP 58 3HB ASP 58 -0.935 11.157 7.483 562 QB ASP 58 QB ASP 58 -1.291 10.472 7.919 563 H LYS 59 HN LYS 59 -2.284 8.486 4.773 564 HA LYS 59 HA LYS 59 -2.430 8.357 2.437 565 1HB LYS 59 2HB LYS 59 -1.858 11.257 3.116 566 2HB LYS 59 3HB LYS 59 -2.397 10.797 1.529 567 1HG LYS 59 2HG LYS 59 -4.544 10.329 2.174 568 2HG LYS 59 3HG LYS 59 -4.017 9.584 3.681 569 1HD LYS 59 2HD LYS 59 -3.425 11.912 4.503 570 2HD LYS 59 3HD LYS 59 -4.328 12.561 3.126 571 1HE LYS 59 2HE LYS 59 -6.397 11.747 3.998 572 2HE LYS 59 3HE LYS 59 -5.598 10.498 4.975 573 1HZ LYS 59 3HZ LYS 59 -5.417 13.357 5.593 574 2HZ LYS 59 1HZ LYS 59 -6.367 12.246 6.377 575 3HZ LYS 59 2HZ LYS 59 -4.735 12.115 6.408 576 QB LYS 59 QB LYS 59 -2.128 11.027 2.322 577 QG LYS 59 QG LYS 59 -4.280 9.956 2.927 578 QD LYS 59 QD LYS 59 -3.876 12.237 3.815 579 QE LYS 59 QE LYS 59 -5.997 11.122 4.487 580 QZ LYS 59 QZ LYS 59 -5.506 12.573 6.126 581 H CYS 60 HN CYS 60 0.575 8.033 3.444 582 HA CYS 60 HA CYS 60 2.132 9.102 1.361 583 1HB CYS 60 2HB CYS 60 3.866 7.623 2.058 584 2HB CYS 60 3HB CYS 60 2.993 8.238 3.450 585 QB CYS 60 QB CYS 60 3.430 7.930 2.754 586 H ASN 61 HN ASN 61 0.228 6.096 1.404 587 HA ASN 61 HA ASN 61 1.449 5.123 -1.048 588 1HB ASN 61 2HB ASN 61 0.047 3.203 -0.779 589 2HB ASN 61 3HB ASN 61 0.745 3.612 0.790 590 1HD2 ASN 61 2HD2 ASN 61 -2.943 2.854 1.192 591 2HD2 ASN 61 1HD2 ASN 61 -1.485 1.946 0.808 592 QB ASN 61 QB ASN 61 0.396 3.408 0.005 593 QD2 ASN 61 QD2 ASN 61 -2.214 2.400 1.000 594 OH TYR 62 OH TYR 62 -5.063 10.671 -7.085 595 H TYR 62 HN TYR 62 0.341 7.698 -1.613 596 HA TYR 62 HA TYR 62 -2.311 7.410 -2.729 597 1HB TYR 62 2HB TYR 62 -1.124 9.705 -2.303 598 2HB TYR 62 3HB TYR 62 -0.211 9.277 -3.762 599 HD1 TYR 62 HD1 TYR 62 -3.889 9.000 -3.060 600 HD2 TYR 62 HD2 TYR 62 -0.776 10.600 -5.567 601 HE1 TYR 62 HE1 TYR 62 -5.582 9.655 -4.735 602 HE2 TYR 62 HE2 TYR 62 -2.468 11.231 -7.248 603 HH TYR 62 HH TYR 62 -4.701 11.105 -7.862 604 QB TYR 62 QB TYR 62 -0.667 9.491 -3.033 605 QR TYR 62 QR TYR 62 -3.179 10.121 -5.152 Start of MODEL 9 Raw file had 605 H/Q atoms Start of MODEL 9 1 NH1 ARG 1 NH2 ARG 1 2.102 8.508 10.389 2 NH2 ARG 1 NH1 ARG 1 3.262 6.537 10.043 3 H ARG 1 HN ARG 1 -5.168 4.938 12.392 4 HA ARG 1 HA ARG 1 -3.552 6.619 11.524 5 1HB ARG 1 2HB ARG 1 -2.067 4.090 11.217 6 2HB ARG 1 3HB ARG 1 -2.036 4.995 9.733 7 1HG ARG 1 2HG ARG 1 -1.482 6.578 12.250 8 2HG ARG 1 3HG ARG 1 -0.324 5.326 11.882 9 1HD ARG 1 2HD ARG 1 -0.926 6.864 9.466 10 2HD ARG 1 3HD ARG 1 -0.403 7.911 10.800 11 HE ARG 1 HE ARG 1 1.125 5.473 9.887 12 1HH1 ARG 1 2HH2 ARG 1 1.249 9.070 10.255 13 2HH1 ARG 1 1HH2 ARG 1 2.958 9.016 10.539 14 1HH2 ARG 1 2HH1 ARG 1 3.208 5.525 9.930 15 2HH2 ARG 1 1HH1 ARG 1 4.140 7.015 9.840 16 QB ARG 1 QB ARG 1 -2.051 4.543 10.475 17 QG ARG 1 QG ARG 1 -0.903 5.952 12.066 18 QD ARG 1 QD ARG 1 -0.664 7.388 10.133 19 QH1 ARG 1 QH2 ARG 1 2.104 9.043 10.397 20 QH2 ARG 1 QH1 ARG 1 3.674 6.270 9.885 21 H ILE 2 HN ILE 2 -3.337 6.867 8.885 22 HA ILE 2 HA ILE 2 -5.880 5.848 7.722 23 HB ILE 2 HB ILE 2 -4.750 8.630 7.352 24 1HG1 ILE 2 2HG1 ILE 2 -5.530 8.514 9.680 25 2HG1 ILE 2 3HG1 ILE 2 -6.486 9.598 8.682 26 1HG2 ILE 2 2HG2 ILE 2 -7.385 7.368 6.508 27 2HG2 ILE 2 3HG2 ILE 2 -6.993 9.091 6.348 28 3HG2 ILE 2 1HG2 ILE 2 -6.059 7.881 5.457 29 1HD1 ILE 2 1HD1 ILE 2 -7.351 6.785 9.462 30 2HD1 ILE 2 2HD1 ILE 2 -7.891 8.293 10.216 31 3HD1 ILE 2 3HD1 ILE 2 -8.311 7.957 8.532 32 QG1 ILE 2 QG1 ILE 2 -6.008 9.056 9.181 33 QG2 ILE 2 QG2 ILE 2 -6.812 8.114 6.104 34 QD1 ILE 2 QD1 ILE 2 -7.851 7.678 9.403 35 H CYS 3 HN CYS 3 -5.532 4.937 5.741 36 HA CYS 3 HA CYS 3 -2.968 5.555 4.316 37 1HB CYS 3 2HB CYS 3 -4.226 2.828 4.725 38 2HB CYS 3 3HB CYS 3 -2.993 3.183 3.516 39 QB CYS 3 QB CYS 3 -3.610 3.005 4.121 40 OH TYR 4 OH TYR 4 -4.573 12.025 0.412 41 H TYR 4 HN TYR 4 -3.095 5.347 2.055 42 HA TYR 4 HA TYR 4 -5.764 5.946 0.943 43 1HB TYR 4 2HB TYR 4 -2.917 6.094 -0.087 44 2HB TYR 4 3HB TYR 4 -4.299 6.150 -1.150 45 HD1 TYR 4 HD2 TYR 4 -4.885 7.839 2.084 46 HD2 TYR 4 HD1 TYR 4 -3.277 8.341 -1.866 47 HE1 TYR 4 HE2 TYR 4 -5.390 10.240 2.130 48 HE2 TYR 4 HE1 TYR 4 -3.471 10.783 -1.659 49 HH TYR 4 HH TYR 4 -4.230 12.525 -0.333 50 QB TYR 4 QB TYR 4 -3.608 6.122 -0.618 51 QR TYR 4 QR TYR 4 -4.256 9.301 0.172 52 H ASN 5 HN ASN 5 -6.762 4.567 -0.598 53 HA ASN 5 HA ASN 5 -5.566 1.851 -0.984 54 1HB ASN 5 2HB ASN 5 -7.313 0.700 0.019 55 2HB ASN 5 3HB ASN 5 -6.701 1.840 1.214 56 1HD2 ASN 5 2HD2 ASN 5 -10.586 1.747 0.694 57 2HD2 ASN 5 1HD2 ASN 5 -9.423 0.434 0.641 58 QB ASN 5 QB ASN 5 -7.007 1.270 0.616 59 QD2 ASN 5 QD2 ASN 5 -10.004 1.090 0.667 60 H HIS 6 HN HIS 6 -5.686 3.457 -3.045 61 HA HIS 6 HA HIS 6 -8.230 2.938 -4.524 62 1HB HIS 6 2HB HIS 6 -7.397 4.644 -6.136 63 2HB HIS 6 3HB HIS 6 -8.032 5.168 -4.605 64 HD1 HIS 6 HD1 HIS 6 -5.211 6.022 -6.764 65 HD2 HIS 6 HD2 HIS 6 -5.970 5.634 -2.639 66 HE1 HIS 6 HE1 HIS 6 -3.306 7.321 -5.508 67 HE2 HIS 6 HE2 HIS 6 -3.756 6.978 -3.049 68 QB HIS 6 QB HIS 6 -7.714 4.906 -5.371 69 H GLN 7 HN GLN 7 -8.267 1.659 -6.068 70 HA GLN 7 HA GLN 7 -5.909 0.158 -6.974 71 1HB GLN 7 2HB GLN 7 -7.604 -1.354 -7.939 72 2HB GLN 7 3HB GLN 7 -7.746 -1.178 -6.197 73 1HG GLN 7 2HG GLN 7 -9.471 0.544 -7.996 74 2HG GLN 7 3HG GLN 7 -9.875 -1.155 -7.765 75 1HE2 GLN 7 2HE2 GLN 7 -11.173 -0.736 -4.513 76 2HE2 GLN 7 1HE2 GLN 7 -10.755 -1.870 -5.784 77 QB GLN 7 QB GLN 7 -7.675 -1.266 -7.068 78 QG GLN 7 QG GLN 7 -9.673 -0.306 -7.880 79 QE2 GLN 7 QE2 GLN 7 -10.964 -1.303 -5.149 80 H SER 8 HN SER 8 -5.839 -0.475 -9.343 81 HA SER 8 HA SER 8 -5.718 1.821 -11.005 82 1HB SER 8 2HB SER 8 -5.322 -0.058 -12.763 83 2HB SER 8 3HB SER 8 -4.156 0.330 -11.514 84 HG SER 8 HG SER 8 -6.148 -1.711 -11.431 85 QB SER 8 QB SER 8 -4.739 0.136 -12.139 86 H THR 9 HN THR 9 -8.152 2.258 -10.544 87 HA THR 9 HA THR 9 -9.494 2.149 -13.014 88 HB THR 9 HB THR 9 -10.040 -0.184 -12.664 89 HG1 THR 9 1HG THR 9 -12.006 1.717 -12.704 90 1HG2 THR 9 2HG2 THR 9 -11.336 0.618 -10.040 91 2HG2 THR 9 3HG2 THR 9 -11.423 -0.972 -10.821 92 3HG2 THR 9 1HG2 THR 9 -9.867 -0.378 -10.234 93 QG2 THR 9 QG2 THR 9 -10.875 -0.244 -10.365 94 H THR 10 HN THR 10 -9.295 3.337 -9.762 95 HA THR 10 HA THR 10 -11.629 5.086 -10.279 96 HB THR 10 HB THR 10 -12.096 4.758 -7.736 97 HG1 THR 10 1HG THR 10 -10.791 2.319 -8.355 98 1HG2 THR 10 2HG2 THR 10 -13.671 4.051 -9.498 99 2HG2 THR 10 3HG2 THR 10 -12.802 2.517 -9.684 100 3HG2 THR 10 1HG2 THR 10 -13.621 2.891 -8.159 101 QG2 THR 10 QG2 THR 10 -13.365 3.153 -9.114 102 NH1 ARG 11 NH2 ARG 11 -9.392 13.504 -7.211 103 NH2 ARG 11 NH1 ARG 11 -10.518 14.281 -5.339 104 H ARG 11 HN ARG 11 -11.665 6.952 -8.950 105 HA ARG 11 HA ARG 11 -9.182 8.349 -8.795 106 1HB ARG 11 2HB ARG 11 -11.284 9.459 -9.243 107 2HB ARG 11 3HB ARG 11 -11.979 8.898 -7.714 108 1HG ARG 11 2HG ARG 11 -10.557 10.329 -6.429 109 2HG ARG 11 3HG ARG 11 -9.584 10.768 -7.858 110 1HD ARG 11 2HD ARG 11 -11.349 12.122 -8.754 111 2HD ARG 11 3HD ARG 11 -12.567 11.283 -7.802 112 HE ARG 11 HE ARG 11 -12.326 12.724 -6.118 113 1HH1 ARG 11 2HH2 ARG 11 -9.389 12.928 -8.038 114 2HH1 ARG 11 1HH2 ARG 11 -8.595 14.094 -7.023 115 1HH2 ARG 11 2HH1 ARG 11 -11.325 14.268 -4.730 116 2HH2 ARG 11 1HH1 ARG 11 -9.753 14.892 -5.099 117 QB ARG 11 QB ARG 11 -11.631 9.178 -8.479 118 QG ARG 11 QG ARG 11 -10.070 10.549 -7.144 119 QD ARG 11 QD ARG 11 -11.958 11.703 -8.278 120 QH1 ARG 11 QH2 ARG 11 -8.992 13.511 -7.531 121 QH2 ARG 11 QH1 ARG 11 -10.539 14.580 -4.914 122 H ALA 12 HN ALA 12 -8.368 9.378 -6.742 123 HA ALA 12 HA ALA 12 -7.481 7.429 -5.012 124 1HB ALA 12 3HB ALA 12 -6.336 9.555 -5.413 125 2HB ALA 12 1HB ALA 12 -7.584 10.409 -4.476 126 3HB ALA 12 2HB ALA 12 -6.520 9.230 -3.679 127 QB ALA 12 QB ALA 12 -6.813 9.731 -4.523 128 H THR 13 HN THR 13 -8.023 6.595 -3.043 129 HA THR 13 HA THR 13 -10.458 7.499 -1.617 130 HB THR 13 HB THR 13 -10.696 4.975 -1.185 131 HG1 THR 13 1HG THR 13 -9.455 3.620 -2.449 132 1HG2 THR 13 2HG2 THR 13 -12.141 6.123 -2.885 133 2HG2 THR 13 3HG2 THR 13 -10.921 5.770 -4.125 134 3HG2 THR 13 1HG2 THR 13 -11.765 4.442 -3.316 135 QG2 THR 13 QG2 THR 13 -11.609 5.445 -3.442 136 H THR 14 HN THR 14 -10.384 6.979 0.649 137 HA THR 14 HA THR 14 -7.740 6.243 1.802 138 HB THR 14 HB THR 14 -8.389 7.709 3.694 139 HG1 THR 14 1HG THR 14 -10.716 7.645 2.995 140 1HG2 THR 14 1HG2 THR 14 -7.058 8.525 1.674 141 2HG2 THR 14 2HG2 THR 14 -8.498 9.403 1.160 142 3HG2 THR 14 3HG2 THR 14 -7.743 9.786 2.727 143 QG2 THR 14 QG2 THR 14 -7.766 9.238 1.854 144 H LYS 15 HN LYS 15 -7.859 4.947 3.693 145 HA LYS 15 HA LYS 15 -10.392 4.796 5.063 146 1HB LYS 15 2HB LYS 15 -9.118 2.301 3.846 147 2HB LYS 15 3HB LYS 15 -9.995 2.251 5.364 148 1HG LYS 15 2HG LYS 15 -11.809 3.635 3.821 149 2HG LYS 15 3HG LYS 15 -11.055 2.614 2.609 150 1HD LYS 15 2HD LYS 15 -12.393 1.782 5.225 151 2HD LYS 15 3HD LYS 15 -13.074 1.599 3.601 152 1HE LYS 15 2HE LYS 15 -11.348 -0.045 3.000 153 2HE LYS 15 3HE LYS 15 -10.529 0.172 4.552 154 1HZ LYS 15 2HZ LYS 15 -13.269 -0.859 4.270 155 2HZ LYS 15 3HZ LYS 15 -11.925 -1.773 4.528 156 3HZ LYS 15 1HZ LYS 15 -12.420 -0.706 5.672 157 QB LYS 15 QB LYS 15 -9.556 2.276 4.605 158 QG LYS 15 QG LYS 15 -11.432 3.124 3.215 159 QD LYS 15 QD LYS 15 -12.734 1.690 4.413 160 QE LYS 15 QE LYS 15 -10.938 0.064 3.776 161 QZ LYS 15 QZ LYS 15 -12.538 -1.113 4.823 162 H SER 16 HN SER 16 -10.028 3.633 7.191 163 HA SER 16 HA SER 16 -7.638 4.699 8.390 164 1HB SER 16 2HB SER 16 -9.865 4.433 9.584 165 2HB SER 16 3HB SER 16 -9.519 2.690 9.662 166 HG SER 16 HG SER 16 -7.723 4.725 10.575 167 QB SER 16 QB SER 16 -9.692 3.562 9.623 168 H CYS 17 HN CYS 17 -6.116 3.306 9.593 169 HA CYS 17 HA CYS 17 -5.643 0.570 8.579 170 1HB CYS 17 2HB CYS 17 -4.395 1.925 7.022 171 2HB CYS 17 3HB CYS 17 -3.764 2.915 8.340 172 QB CYS 17 QB CYS 17 -4.080 2.420 7.681 173 H GLU 20 HN GLU 20 -5.203 -0.614 10.368 174 HA GLU 20 HA GLU 20 -4.818 0.579 12.949 175 1HB GLU 20 2HB GLU 20 -4.377 -1.809 13.622 176 2HB GLU 20 3HB GLU 20 -5.965 -1.428 12.944 177 1HG GLU 20 2HG GLU 20 -3.839 -2.686 11.193 178 2HG GLU 20 3HG GLU 20 -4.872 -3.626 12.268 179 QB GLU 20 QB GLU 20 -5.171 -1.619 13.283 180 QG GLU 20 QG GLU 20 -4.355 -3.156 11.730 181 H GLU 21 HN GLU 21 -2.622 -1.034 10.623 182 HA GLU 21 HA GLU 21 -0.289 -0.789 12.230 183 1HB GLU 21 2HB GLU 21 -0.512 -0.835 9.188 184 2HB GLU 21 3HB GLU 21 0.962 -1.109 10.119 185 1HG GLU 21 2HG GLU 21 -1.516 -2.874 10.177 186 2HG GLU 21 3HG GLU 21 0.005 -3.238 9.378 187 QB GLU 21 QB GLU 21 0.225 -0.972 9.653 188 QG GLU 21 QG GLU 21 -0.755 -3.056 9.778 189 H ASN 22 HN ASN 22 1.552 0.559 11.895 190 HA ASN 22 HA ASN 22 0.813 3.374 11.656 191 1HB ASN 22 2HB ASN 22 2.344 2.573 13.413 192 2HB ASN 22 3HB ASN 22 3.517 2.104 12.169 193 1HD2 ASN 22 2HD2 ASN 22 4.913 5.362 12.330 194 2HD2 ASN 22 1HD2 ASN 22 5.184 3.634 12.218 195 QB ASN 22 QB ASN 22 2.930 2.339 12.791 196 QD2 ASN 22 QD2 ASN 22 5.048 4.498 12.274 197 H SER 23 HN SER 23 2.104 0.941 9.486 198 HA SER 23 HA SER 23 3.248 2.928 7.607 199 1HB SER 23 2HB SER 23 3.906 0.630 6.524 200 2HB SER 23 3HB SER 23 4.788 1.256 7.921 201 HG SER 23 HG SER 23 4.131 -0.987 8.137 202 QB SER 23 QB SER 23 4.347 0.943 7.223 203 H CYS 24 HN CYS 24 2.910 2.453 5.340 204 HA CYS 24 HA CYS 24 0.350 1.192 4.610 205 1HB CYS 24 2HB CYS 24 1.211 3.863 3.461 206 2HB CYS 24 3HB CYS 24 -0.273 2.964 3.152 207 QB CYS 24 QB CYS 24 0.469 3.413 3.307 208 OH TYR 25 OH TYR 25 -1.425 -5.116 0.341 209 H TYR 25 HN TYR 25 0.403 0.760 2.174 210 HA TYR 25 HA TYR 25 3.031 0.891 0.930 211 1HB TYR 25 2HB TYR 25 3.431 -1.427 0.769 212 2HB TYR 25 3HB TYR 25 2.867 -1.254 2.413 213 HD1 TYR 25 HD2 TYR 25 0.478 -1.906 2.962 214 HD2 TYR 25 HD1 TYR 25 2.283 -2.788 -0.835 215 HE1 TYR 25 HE2 TYR 25 -1.238 -3.649 2.549 216 HE2 TYR 25 HE1 TYR 25 0.554 -4.507 -1.260 217 HH TYR 25 HH TYR 25 -2.058 -5.209 1.059 218 QB TYR 25 QB TYR 25 3.149 -1.341 1.591 219 QR TYR 25 QR TYR 25 0.519 -3.213 0.854 220 H LYS 26 HN LYS 26 2.999 -0.183 -1.245 221 HA LYS 26 HA LYS 26 0.338 -0.442 -2.467 222 1HB LYS 26 2HB LYS 26 1.126 1.916 -2.881 223 2HB LYS 26 3HB LYS 26 2.564 1.263 -3.674 224 1HG LYS 26 2HG LYS 26 1.040 0.150 -5.392 225 2HG LYS 26 3HG LYS 26 -0.324 0.742 -4.489 226 1HD LYS 26 2HD LYS 26 -0.239 2.349 -6.095 227 2HD LYS 26 3HD LYS 26 0.745 3.148 -4.877 228 1HE LYS 26 2HE LYS 26 1.725 1.527 -7.296 229 2HE LYS 26 3HE LYS 26 1.644 3.288 -7.198 230 1HZ LYS 26 2HZ LYS 26 3.235 3.191 -5.380 231 2HZ LYS 26 3HZ LYS 26 3.342 1.553 -5.534 232 3HZ LYS 26 1HZ LYS 26 3.852 2.522 -6.754 233 QB LYS 26 QB LYS 26 1.845 1.590 -3.277 234 QG LYS 26 QG LYS 26 0.358 0.446 -4.941 235 QD LYS 26 QD LYS 26 0.253 2.748 -5.486 236 QE LYS 26 QE LYS 26 1.685 2.408 -7.247 237 QZ LYS 26 QZ LYS 26 3.476 2.422 -5.889 238 H LYS 27 HN LYS 27 0.278 -2.142 -3.850 239 HA LYS 27 HA LYS 27 2.837 -3.381 -4.727 240 1HB LYS 27 2HB LYS 27 1.706 -5.510 -4.845 241 2HB LYS 27 3HB LYS 27 1.737 -4.904 -3.187 242 1HG LYS 27 2HG LYS 27 -0.628 -4.160 -3.434 243 2HG LYS 27 3HG LYS 27 -0.618 -4.747 -5.103 244 1HD LYS 27 2HD LYS 27 0.162 -7.018 -3.737 245 2HD LYS 27 3HD LYS 27 -0.905 -6.235 -2.556 246 1HE LYS 27 2HE LYS 27 -2.628 -6.027 -4.505 247 2HE LYS 27 3HE LYS 27 -1.552 -7.075 -5.435 248 1HZ LYS 27 1HZ LYS 27 -2.895 -7.728 -2.894 249 2HZ LYS 27 2HZ LYS 27 -3.344 -8.230 -4.388 250 3HZ LYS 27 3HZ LYS 27 -1.920 -8.757 -3.745 251 QB LYS 27 QB LYS 27 1.721 -5.207 -4.016 252 QG LYS 27 QG LYS 27 -0.623 -4.454 -4.268 253 QD LYS 27 QD LYS 27 -0.372 -6.626 -3.147 254 QE LYS 27 QE LYS 27 -2.090 -6.551 -4.970 255 QZ LYS 27 QZ LYS 27 -2.720 -8.238 -3.675 256 OH TYR 28 OH TYR 28 7.183 0.346 -6.567 257 H TYR 28 HN TYR 28 2.984 -3.721 -7.002 258 HA TYR 28 HA TYR 28 0.682 -2.974 -8.669 259 1HB TYR 28 2HB TYR 28 2.239 -1.303 -9.745 260 2HB TYR 28 3HB TYR 28 1.464 -0.840 -8.238 261 HD1 TYR 28 HD1 TYR 28 2.877 -0.944 -6.068 262 HD2 TYR 28 HD2 TYR 28 4.619 -1.183 -10.008 263 HE1 TYR 28 HE1 TYR 28 5.027 -0.151 -5.163 264 HE2 TYR 28 HE2 TYR 28 6.759 -0.341 -9.094 265 HH TYR 28 HH TYR 28 7.908 0.354 -7.197 266 QB TYR 28 QB TYR 28 1.852 -1.071 -8.992 267 QR TYR 28 QR TYR 28 4.821 -0.655 -7.583 268 CH2 TRP 29 CH2 TRP 29 -2.813 -6.352 -8.269 269 H TRP 29 HN TRP 29 0.782 -3.880 -10.726 270 HA TRP 29 HA TRP 29 3.303 -5.104 -11.639 271 1HB TRP 29 2HB TRP 29 2.331 -7.287 -11.871 272 2HB TRP 29 3HB TRP 29 2.372 -6.816 -10.187 273 HD1 TRP 29 HD1 TRP 29 0.152 -8.178 -12.790 274 HE1 TRP 29 HE1 TRP 29 -2.228 -8.471 -11.951 275 HE3 TRP 29 HE3 TRP 29 0.467 -5.452 -8.445 276 HZ2 TRP 29 HZ2 TRP 29 -3.815 -7.659 -9.664 277 HZ3 TRP 29 HZ3 TRP 29 -1.564 -5.029 -7.117 278 HH2 TRP 29 HH2 TRP 29 -3.690 -6.199 -7.653 279 QB TRP 29 QB TRP 29 2.351 -7.051 -11.029 280 NH1 ARG 30 NH2 ARG 30 2.604 -0.944 -17.770 281 NH2 ARG 30 NH1 ARG 30 4.649 -0.016 -18.304 282 H ARG 30 HN ARG 30 3.185 -5.847 -13.854 283 HA ARG 30 HA ARG 30 1.580 -4.086 -15.512 284 1HB ARG 30 2HB ARG 30 3.629 -6.236 -15.978 285 2HB ARG 30 3HB ARG 30 2.640 -5.701 -17.312 286 1HG ARG 30 2HG ARG 30 3.712 -3.405 -15.803 287 2HG ARG 30 3HG ARG 30 4.989 -4.457 -16.424 288 1HD ARG 30 2HD ARG 30 4.166 -4.319 -18.677 289 2HD ARG 30 3HD ARG 30 2.687 -3.513 -18.192 290 HE ARG 30 HE ARG 30 5.439 -2.401 -18.339 291 1HH1 ARG 30 2HH2 ARG 30 2.025 -1.749 -17.521 292 2HH1 ARG 30 1HH2 ARG 30 2.180 -0.035 -17.711 293 1HH2 ARG 30 2HH1 ARG 30 5.628 -0.114 -18.522 294 2HH2 ARG 30 1HH1 ARG 30 4.263 0.916 -18.261 295 QB ARG 30 QB ARG 30 3.134 -5.968 -16.645 296 QG ARG 30 QG ARG 30 4.350 -3.931 -16.113 297 QD ARG 30 QD ARG 30 3.426 -3.916 -18.435 298 QH1 ARG 30 QH2 ARG 30 2.102 -0.892 -17.616 299 QH2 ARG 30 QH1 ARG 30 4.945 0.401 -18.392 300 H ASP 31 HN ASP 31 0.211 -4.725 -17.155 301 HA ASP 31 HA ASP 31 -0.684 -7.462 -17.438 302 1HB ASP 31 2HB ASP 31 -2.447 -6.792 -15.910 303 2HB ASP 31 3HB ASP 31 -2.633 -5.220 -16.711 304 QB ASP 31 QB ASP 31 -2.540 -6.006 -16.311 305 H HIS 32 HN HIS 32 -1.915 -7.530 -19.458 306 HA HIS 32 HA HIS 32 -1.623 -7.220 -21.826 307 1HB HIS 32 2HB HIS 32 -3.845 -7.043 -20.895 308 2HB HIS 32 3HB HIS 32 -3.620 -5.359 -20.484 309 HD1 HIS 32 HD1 HIS 32 -3.309 -7.334 -23.845 310 HD2 HIS 32 HD2 HIS 32 -5.000 -3.879 -22.102 311 HE1 HIS 32 HE1 HIS 32 -4.583 -6.111 -25.719 312 HE2 HIS 32 HE2 HIS 32 -5.606 -4.014 -24.644 313 QB HIS 32 QB HIS 32 -3.733 -6.201 -20.690 314 NH1 ARG 33 NH2 ARG 33 3.341 -1.796 -24.367 315 NH2 ARG 33 NH1 ARG 33 2.515 0.371 -24.431 316 H ARG 33 HN ARG 33 -2.332 -3.843 -21.016 317 HA ARG 33 HA ARG 33 0.232 -2.864 -22.033 318 1HB ARG 33 2HB ARG 33 -2.476 -2.328 -23.337 319 2HB ARG 33 3HB ARG 33 -1.164 -1.180 -23.493 320 1HG ARG 33 2HG ARG 33 -1.064 -4.076 -24.442 321 2HG ARG 33 3HG ARG 33 -1.335 -2.653 -25.443 322 1HD ARG 33 2HD ARG 33 1.191 -3.403 -23.938 323 2HD ARG 33 3HD ARG 33 0.967 -3.294 -25.689 324 HE ARG 33 HE ARG 33 0.328 -0.767 -24.887 325 1HH1 ARG 33 2HH2 ARG 33 3.178 -2.788 -24.458 326 2HH1 ARG 33 1HH2 ARG 33 4.284 -1.471 -24.210 327 1HH2 ARG 33 2HH1 ARG 33 1.741 1.014 -24.523 328 2HH2 ARG 33 1HH1 ARG 33 3.437 0.756 -24.282 329 QB ARG 33 QB ARG 33 -1.820 -1.754 -23.415 330 QG ARG 33 QG ARG 33 -1.200 -3.364 -24.942 331 QD ARG 33 QD ARG 33 1.079 -3.348 -24.814 332 QH1 ARG 33 QH2 ARG 33 3.731 -2.129 -24.334 333 QH2 ARG 33 QH1 ARG 33 2.589 0.885 -24.402 334 H GLY 34 HN GLY 34 -0.784 -3.058 -19.442 335 1HA GLY 34 1HA GLY 34 -1.047 -0.213 -18.683 336 2HA GLY 34 2HA GLY 34 -2.373 -1.324 -18.253 337 QA GLY 34 QA GLY 34 -1.710 -0.768 -18.468 338 H THR 35 HN THR 35 -1.630 -0.565 -16.058 339 HA THR 35 HA THR 35 0.096 -2.610 -14.910 340 HB THR 35 HB THR 35 0.929 0.189 -15.243 341 HG1 THR 35 1HG THR 35 2.850 -0.983 -14.239 342 1HG2 THR 35 1HG2 THR 35 0.892 -0.828 -12.384 343 2HG2 THR 35 2HG2 THR 35 1.916 0.492 -12.998 344 3HG2 THR 35 3HG2 THR 35 0.168 0.661 -13.064 345 QG2 THR 35 QG2 THR 35 0.992 0.108 -12.815 346 H ILE 36 HN ILE 36 -0.996 -3.477 -13.298 347 HA ILE 36 HA ILE 36 -3.468 -2.198 -12.403 348 HB ILE 36 HB ILE 36 -2.288 -4.946 -11.879 349 1HG1 ILE 36 2HG1 ILE 36 -4.691 -4.017 -13.533 350 2HG1 ILE 36 3HG1 ILE 36 -3.126 -4.493 -14.207 351 1HG2 ILE 36 3HG2 ILE 36 -3.687 -4.135 -9.944 352 2HG2 ILE 36 1HG2 ILE 36 -5.022 -3.838 -11.072 353 3HG2 ILE 36 2HG2 ILE 36 -4.446 -5.475 -10.787 354 1HD1 ILE 36 3HD1 ILE 36 -3.408 -6.779 -13.324 355 2HD1 ILE 36 1HD1 ILE 36 -5.026 -6.341 -12.711 356 3HD1 ILE 36 2HD1 ILE 36 -4.696 -6.305 -14.448 357 QG1 ILE 36 QG1 ILE 36 -3.909 -4.255 -13.870 358 QG2 ILE 36 QG2 ILE 36 -4.385 -4.482 -10.601 359 QD1 ILE 36 QD1 ILE 36 -4.377 -6.475 -13.494 360 H ILE 37 HN ILE 37 -3.647 -1.241 -10.411 361 HA ILE 37 HA ILE 37 -1.273 -1.160 -8.577 362 HB ILE 37 HB ILE 37 -3.459 0.779 -9.406 363 1HG1 ILE 37 2HG1 ILE 37 -1.523 2.439 -9.130 364 2HG1 ILE 37 3HG1 ILE 37 -0.456 1.044 -8.937 365 1HG2 ILE 37 2HG2 ILE 37 -3.630 0.631 -6.872 366 2HG2 ILE 37 3HG2 ILE 37 -1.957 1.215 -6.840 367 3HG2 ILE 37 1HG2 ILE 37 -3.272 2.138 -7.630 368 1HD1 ILE 37 1HD1 ILE 37 -2.209 1.670 -11.362 369 2HD1 ILE 37 2HD1 ILE 37 -0.462 1.939 -11.230 370 3HD1 ILE 37 3HD1 ILE 37 -1.102 0.284 -11.209 371 QG1 ILE 37 QG1 ILE 37 -0.990 1.741 -9.034 372 QG2 ILE 37 QG2 ILE 37 -2.953 1.328 -7.114 373 QD1 ILE 37 QD1 ILE 37 -1.258 1.297 -11.267 374 H GLU 38 HN GLU 38 -1.632 -1.947 -6.505 375 HA GLU 38 HA GLU 38 -4.404 -1.711 -5.485 376 1HB GLU 38 2HB GLU 38 -3.450 -4.204 -5.899 377 2HB GLU 38 3HB GLU 38 -2.629 -3.831 -4.368 378 1HG GLU 38 2HG GLU 38 -4.574 -4.819 -3.597 379 2HG GLU 38 3HG GLU 38 -5.068 -3.124 -3.579 380 QB GLU 38 QB GLU 38 -3.040 -4.018 -5.133 381 QG GLU 38 QG GLU 38 -4.821 -3.971 -3.588 382 NH1 ARG 39 NH2 ARG 39 -2.768 4.241 -6.702 383 NH2 ARG 39 NH1 ARG 39 -0.717 5.300 -6.549 384 H ARG 39 HN ARG 39 -4.334 -0.348 -3.750 385 HA ARG 39 HA ARG 39 -1.720 0.232 -2.392 386 1HB ARG 39 2HB ARG 39 -4.208 1.898 -2.820 387 2HB ARG 39 3HB ARG 39 -2.950 2.305 -1.621 388 1HG ARG 39 2HG ARG 39 -1.277 2.448 -3.300 389 2HG ARG 39 3HG ARG 39 -2.403 1.885 -4.574 390 1HD ARG 39 2HD ARG 39 -3.776 3.872 -4.275 391 2HD ARG 39 3HD ARG 39 -2.859 4.346 -2.859 392 HE ARG 39 HE ARG 39 -1.025 5.019 -4.098 393 1HH1 ARG 39 2HH2 ARG 39 -3.498 3.677 -6.273 394 2HH1 ARG 39 1HH2 ARG 39 -2.728 4.291 -7.710 395 1HH2 ARG 39 2HH1 ARG 39 -0.193 5.899 -5.887 396 2HH2 ARG 39 1HH1 ARG 39 -0.654 5.522 -7.528 397 QB ARG 39 QB ARG 39 -3.579 2.101 -2.220 398 QG ARG 39 QG ARG 39 -1.840 2.166 -3.937 399 QD ARG 39 QD ARG 39 -3.317 4.109 -3.567 400 QH1 ARG 39 QH2 ARG 39 -3.113 3.984 -6.991 401 QH2 ARG 39 QH1 ARG 39 -0.424 5.710 -6.707 402 H GLY 40 HN GLY 40 -1.596 -0.104 -0.150 403 1HA GLY 40 1HA GLY 40 -4.022 -0.723 1.319 404 2HA GLY 40 2HA GLY 40 -3.011 -2.146 0.963 405 QA GLY 40 QA GLY 40 -3.517 -1.434 1.141 406 H CYS 41 HN CYS 41 -3.102 -2.030 3.435 407 HA CYS 41 HA CYS 41 -1.603 0.211 4.665 408 1HB CYS 41 2HB CYS 41 -3.545 0.342 5.576 409 2HB CYS 41 3HB CYS 41 -4.036 -1.348 5.288 410 QB CYS 41 QB CYS 41 -3.790 -0.503 5.432 411 H GLY 42 HN GLY 42 -0.403 -0.223 6.598 412 1HA GLY 42 1HA GLY 42 1.302 -1.408 7.744 413 2HA GLY 42 2HA GLY 42 0.556 -2.899 7.166 414 QA GLY 42 QA GLY 42 0.929 -2.154 7.455 415 H CYS 43 HN CYS 43 2.407 -3.978 6.471 416 HA CYS 43 HA CYS 43 3.468 -3.183 3.864 417 1HB CYS 43 2HB CYS 43 4.948 -1.901 5.356 418 2HB CYS 43 3HB CYS 43 5.353 -3.390 6.224 419 QB CYS 43 QB CYS 43 5.150 -2.645 5.790 420 HA PRO 44 HA PRO 44 3.465 -7.767 4.477 421 1HB PRO 44 2HB PRO 44 1.628 -8.536 2.660 422 2HB PRO 44 3HB PRO 44 1.130 -7.746 4.184 423 1HG PRO 44 2HG PRO 44 1.499 -6.448 1.469 424 2HG PRO 44 3HG PRO 44 0.090 -6.323 2.564 425 1HD PRO 44 2HD PRO 44 2.183 -4.495 2.471 426 2HD PRO 44 3HD PRO 44 1.209 -4.787 3.951 427 QB PRO 44 QB PRO 44 1.379 -8.141 3.422 428 QG PRO 44 QG PRO 44 0.795 -6.386 2.017 429 QD PRO 44 QD PRO 44 1.696 -4.641 3.211 430 H LYS 45 HN LYS 45 3.808 -9.483 2.692 431 HA LYS 45 HA LYS 45 5.878 -8.516 0.791 432 1HB LYS 45 2HB LYS 45 6.563 -10.061 2.428 433 2HB LYS 45 3HB LYS 45 5.267 -11.204 2.046 434 1HG LYS 45 2HG LYS 45 7.382 -10.462 0.003 435 2HG LYS 45 3HG LYS 45 7.831 -11.520 1.313 436 1HD LYS 45 2HD LYS 45 5.433 -12.227 -0.434 437 2HD LYS 45 3HD LYS 45 7.093 -12.556 -0.917 438 1HE LYS 45 2HE LYS 45 6.182 -14.540 0.043 439 2HE LYS 45 3HE LYS 45 7.512 -13.939 1.037 440 1HZ LYS 45 3HZ LYS 45 4.643 -13.574 1.625 441 2HZ LYS 45 1HZ LYS 45 5.635 -14.672 2.342 442 3HZ LYS 45 2HZ LYS 45 5.896 -13.067 2.569 443 QB LYS 45 QB LYS 45 5.915 -10.632 2.237 444 QG LYS 45 QG LYS 45 7.606 -10.991 0.658 445 QD LYS 45 QD LYS 45 6.263 -12.391 -0.676 446 QE LYS 45 QE LYS 45 6.847 -14.239 0.540 447 QZ LYS 45 QZ LYS 45 5.391 -13.771 2.179 448 H VAL 46 HN VAL 46 5.988 -9.644 -1.238 449 HA VAL 46 HA VAL 46 3.394 -10.490 -2.430 450 HB VAL 46 HB VAL 46 3.814 -9.136 -4.419 451 1HG1 VAL 46 1HG1 VAL 46 2.357 -8.229 -2.652 452 2HG1 VAL 46 2HG1 VAL 46 3.752 -7.430 -1.894 453 3HG1 VAL 46 3HG1 VAL 46 3.226 -6.944 -3.514 454 1HG2 VAL 46 3HG2 VAL 46 6.287 -8.892 -4.275 455 2HG2 VAL 46 1HG2 VAL 46 5.457 -7.353 -4.488 456 3HG2 VAL 46 2HG2 VAL 46 6.086 -7.798 -2.889 457 QG1 VAL 46 QG1 VAL 46 3.112 -7.534 -2.686 458 QG2 VAL 46 QG2 VAL 46 5.943 -8.014 -3.884 459 QQG VAL 46 QQG VAL 46 4.527 -7.774 -3.285 460 H LYS 47 HN LYS 47 3.691 -11.577 -4.523 461 HA LYS 47 HA LYS 47 5.927 -13.467 -4.508 462 1HB LYS 47 2HB LYS 47 3.605 -12.951 -6.398 463 2HB LYS 47 3HB LYS 47 4.712 -14.288 -6.608 464 1HG LYS 47 2HG LYS 47 4.066 -15.362 -4.564 465 2HG LYS 47 3HG LYS 47 3.161 -13.963 -4.023 466 1HD LYS 47 2HD LYS 47 1.637 -15.705 -4.823 467 2HD LYS 47 3HD LYS 47 1.477 -14.194 -5.702 468 1HE LYS 47 2HE LYS 47 1.303 -16.082 -7.229 469 2HE LYS 47 3HE LYS 47 2.708 -15.096 -7.630 470 1HZ LYS 47 3HZ LYS 47 2.747 -17.647 -6.142 471 2HZ LYS 47 1HZ LYS 47 3.217 -17.425 -7.698 472 3HZ LYS 47 2HZ LYS 47 4.074 -16.730 -6.483 473 QB LYS 47 QB LYS 47 4.159 -13.619 -6.503 474 QG LYS 47 QG LYS 47 3.614 -14.663 -4.293 475 QD LYS 47 QD LYS 47 1.557 -14.950 -5.262 476 QE LYS 47 QE LYS 47 2.005 -15.589 -7.430 477 QZ LYS 47 QZ LYS 47 3.346 -17.267 -6.774 478 HA PRO 48 HA PRO 48 8.547 -11.032 -6.919 479 1HB PRO 48 2HB PRO 48 9.930 -12.667 -8.604 480 2HB PRO 48 3HB PRO 48 10.024 -12.808 -6.826 481 1HG PRO 48 2HG PRO 48 8.359 -14.446 -8.735 482 2HG PRO 48 3HG PRO 48 9.350 -15.027 -7.367 483 1HD PRO 48 2HD PRO 48 6.647 -14.595 -7.308 484 2HD PRO 48 3HD PRO 48 7.612 -14.464 -5.815 485 QB PRO 48 QB PRO 48 9.977 -12.738 -7.715 486 QG PRO 48 QG PRO 48 8.854 -14.736 -8.051 487 QD PRO 48 QD PRO 48 7.130 -14.529 -6.562 488 H GLY 49 HN GLY 49 9.147 -10.123 -9.094 489 1HA GLY 49 1HA GLY 49 8.551 -9.138 -11.045 490 2HA GLY 49 2HA GLY 49 7.552 -10.554 -11.386 491 QA GLY 49 QA GLY 49 8.052 -9.846 -11.216 492 H VAL 50 HN VAL 50 6.928 -8.846 -8.415 493 HA VAL 50 HA VAL 50 4.752 -7.162 -9.569 494 HB VAL 50 HB VAL 50 4.751 -8.812 -6.998 495 1HG1 VAL 50 3HG1 VAL 50 2.742 -6.763 -8.002 496 2HG1 VAL 50 1HG1 VAL 50 2.431 -7.928 -6.702 497 3HG1 VAL 50 2HG1 VAL 50 3.692 -6.708 -6.509 498 1HG2 VAL 50 3HG2 VAL 50 3.003 -8.994 -9.491 499 2HG2 VAL 50 1HG2 VAL 50 4.220 -10.179 -8.977 500 3HG2 VAL 50 2HG2 VAL 50 2.771 -9.925 -7.998 501 QG1 VAL 50 QG1 VAL 50 2.955 -7.133 -7.071 502 QG2 VAL 50 QG2 VAL 50 3.331 -9.699 -8.822 503 QQG VAL 50 QQG VAL 50 3.143 -8.416 -7.947 504 H GLY 51 HN GLY 51 5.241 -5.024 -9.104 505 1HA GLY 51 1HA GLY 51 7.525 -4.442 -7.516 506 2HA GLY 51 2HA GLY 51 6.491 -3.223 -8.233 507 QA GLY 51 QA GLY 51 7.008 -3.832 -7.874 508 H ILE 52 HN ILE 52 7.394 -2.941 -5.767 509 HA ILE 52 HA ILE 52 5.042 -2.948 -4.053 510 HB ILE 52 HB ILE 52 5.802 -5.193 -3.665 511 1HG1 ILE 52 2HG1 ILE 52 6.488 -5.170 -1.275 512 2HG1 ILE 52 3HG1 ILE 52 6.704 -3.433 -1.337 513 1HG2 ILE 52 3HG2 ILE 52 8.108 -5.037 -4.515 514 2HG2 ILE 52 1HG2 ILE 52 8.582 -4.087 -3.090 515 3HG2 ILE 52 2HG2 ILE 52 8.061 -5.771 -2.915 516 1HD1 ILE 52 3HD1 ILE 52 4.105 -4.962 -1.858 517 2HD1 ILE 52 1HD1 ILE 52 4.525 -4.096 -0.368 518 3HD1 ILE 52 2HD1 ILE 52 4.275 -3.197 -1.871 519 QG1 ILE 52 QG1 ILE 52 6.596 -4.302 -1.306 520 QG2 ILE 52 QG2 ILE 52 8.250 -4.965 -3.506 521 QD1 ILE 52 QD1 ILE 52 4.302 -4.085 -1.366 522 H HIS 53 HN HIS 53 5.224 -1.419 -2.397 523 HA HIS 53 HA HIS 53 7.812 -0.351 -1.634 524 1HB HIS 53 2HB HIS 53 7.288 1.016 -3.680 525 2HB HIS 53 3HB HIS 53 5.768 1.512 -2.924 526 HD1 HIS 53 HD1 HIS 53 9.544 2.103 -2.695 527 HD2 HIS 53 HD2 HIS 53 5.969 3.158 -0.712 528 HE1 HIS 53 HE1 HIS 53 10.163 3.901 -0.958 529 HE2 HIS 53 HE2 HIS 53 7.984 4.493 0.259 530 QB HIS 53 QB HIS 53 6.528 1.264 -3.302 531 H CYS 54 HN CYS 54 7.673 0.348 0.495 532 HA CYS 54 HA CYS 54 4.993 0.598 1.770 533 1HB CYS 54 2HB CYS 54 7.542 -0.557 2.936 534 2HB CYS 54 3HB CYS 54 6.029 -0.263 3.801 535 QB CYS 54 QB CYS 54 6.786 -0.410 3.369 536 H CYS 55 HN CYS 55 4.948 2.210 3.594 537 HA CYS 55 HA CYS 55 7.242 3.901 4.010 538 1HB CYS 55 2HB CYS 55 6.054 5.957 3.234 539 2HB CYS 55 3HB CYS 55 6.638 4.898 1.974 540 QB CYS 55 QB CYS 55 6.346 5.428 2.604 541 H GLN 56 HN GLN 56 6.708 5.606 5.523 542 HA GLN 56 HA GLN 56 4.794 4.581 7.594 543 1HB GLN 56 2HB GLN 56 7.488 5.911 8.082 544 2HB GLN 56 3HB GLN 56 6.473 4.996 9.197 545 1HG GLN 56 2HG GLN 56 8.193 3.522 8.709 546 2HG GLN 56 3HG GLN 56 6.882 2.960 7.662 547 1HE2 GLN 56 2HE2 GLN 56 9.887 2.901 5.543 548 2HE2 GLN 56 1HE2 GLN 56 9.172 1.984 6.856 549 QB GLN 56 QB GLN 56 6.981 5.453 8.639 550 QG GLN 56 QG GLN 56 7.537 3.241 8.185 551 QE2 GLN 56 QE2 GLN 56 9.529 2.442 6.199 552 H SER 57 HN SER 57 3.778 6.564 5.919 553 HA SER 57 HA SER 57 3.323 8.597 8.018 554 1HB SER 57 2HB SER 57 3.078 9.937 5.515 555 2HB SER 57 3HB SER 57 4.119 10.305 6.886 556 HG SER 57 HG SER 57 5.364 9.944 5.020 557 QB SER 57 QB SER 57 3.599 10.121 6.200 558 H ASP 58 HN ASP 58 1.162 9.207 8.199 559 HA ASP 58 HA ASP 58 -0.870 7.607 7.028 560 1HB ASP 58 2HB ASP 58 -2.262 9.789 7.641 561 2HB ASP 58 3HB ASP 58 -1.685 8.758 8.904 562 QB ASP 58 QB ASP 58 -1.973 9.273 8.273 563 H LYS 59 HN LYS 59 -2.005 7.876 5.187 564 HA LYS 59 HA LYS 59 -2.375 8.322 3.007 565 1HB LYS 59 2HB LYS 59 -1.329 11.162 3.522 566 2HB LYS 59 3HB LYS 59 -2.281 10.612 2.173 567 1HG LYS 59 2HG LYS 59 -3.843 11.659 3.395 568 2HG LYS 59 3HG LYS 59 -4.098 9.966 3.906 569 1HD LYS 59 2HD LYS 59 -3.557 10.381 6.033 570 2HD LYS 59 3HD LYS 59 -2.196 11.442 5.618 571 1HE LYS 59 2HE LYS 59 -3.786 12.729 6.849 572 2HE LYS 59 3HE LYS 59 -3.713 13.319 5.184 573 1HZ LYS 59 3HZ LYS 59 -5.797 11.545 6.296 574 2HZ LYS 59 1HZ LYS 59 -5.966 13.148 5.971 575 3HZ LYS 59 2HZ LYS 59 -5.742 12.083 4.739 576 QB LYS 59 QB LYS 59 -1.805 10.887 2.848 577 QG LYS 59 QG LYS 59 -3.971 10.812 3.650 578 QD LYS 59 QD LYS 59 -2.876 10.912 5.826 579 QE LYS 59 QE LYS 59 -3.749 13.024 6.017 580 QZ LYS 59 QZ LYS 59 -5.835 12.259 5.669 581 H CYS 60 HN CYS 60 0.770 7.970 3.996 582 HA CYS 60 HA CYS 60 2.214 9.215 1.966 583 1HB CYS 60 2HB CYS 60 4.063 7.851 2.569 584 2HB CYS 60 3HB CYS 60 3.129 8.196 4.007 585 QB CYS 60 QB CYS 60 3.596 8.023 3.288 586 H ASN 61 HN ASN 61 0.386 6.188 1.723 587 HA ASN 61 HA ASN 61 1.878 5.353 -0.643 588 1HB ASN 61 2HB ASN 61 0.623 3.338 -0.551 589 2HB ASN 61 3HB ASN 61 1.250 3.707 1.055 590 1HD2 ASN 61 2HD2 ASN 61 -2.490 2.704 0.963 591 2HD2 ASN 61 1HD2 ASN 61 -1.016 1.964 0.334 592 QB ASN 61 QB ASN 61 0.936 3.523 0.252 593 QD2 ASN 61 QD2 ASN 61 -1.753 2.334 0.648 594 OH TYR 62 OH TYR 62 -3.069 12.698 -6.581 595 H TYR 62 HN TYR 62 0.916 7.685 -1.385 596 HA TYR 62 HA TYR 62 -1.681 7.403 -2.726 597 1HB TYR 62 2HB TYR 62 -1.009 9.585 -1.752 598 2HB TYR 62 3HB TYR 62 0.432 9.519 -2.748 599 HD1 TYR 62 HD1 TYR 62 -3.125 9.055 -3.893 600 HD2 TYR 62 HD2 TYR 62 0.425 11.493 -3.929 601 HE1 TYR 62 HE1 TYR 62 -4.170 10.556 -5.555 602 HE2 TYR 62 HE2 TYR 62 -0.628 12.992 -5.580 603 HH TYR 62 HH TYR 62 -2.505 13.426 -6.848 604 QB TYR 62 QB TYR 62 -0.288 9.552 -2.250 605 QR TYR 62 QR TYR 62 -1.874 11.024 -4.740 Start of MODEL 10 Raw file had 605 H/Q atoms Start of MODEL 10 1 NH1 ARG 1 NH2 ARG 1 -0.189 5.858 6.540 2 NH2 ARG 1 NH1 ARG 1 1.880 4.920 6.830 3 H ARG 1 HN ARG 1 -4.636 4.546 11.676 4 HA ARG 1 HA ARG 1 -3.029 6.899 10.798 5 1HB ARG 1 2HB ARG 1 -1.548 5.108 11.562 6 2HB ARG 1 3HB ARG 1 -2.527 3.893 10.743 7 1HG ARG 1 2HG ARG 1 -0.589 4.144 9.504 8 2HG ARG 1 3HG ARG 1 -1.862 4.798 8.520 9 1HD ARG 1 2HD ARG 1 -1.011 7.028 8.768 10 2HD ARG 1 3HD ARG 1 -0.203 6.685 10.269 11 HE ARG 1 HE ARG 1 1.587 5.677 9.228 12 1HH1 ARG 1 2HH2 ARG 1 -1.075 6.243 6.861 13 2HH1 ARG 1 1HH2 ARG 1 -0.093 5.676 5.556 14 1HH2 ARG 1 2HH1 ARG 1 2.515 4.516 7.516 15 2HH2 ARG 1 1HH1 ARG 1 1.871 4.569 5.881 16 QB ARG 1 QB ARG 1 -2.037 4.501 11.153 17 QG ARG 1 QG ARG 1 -1.225 4.471 9.012 18 QD ARG 1 QD ARG 1 -0.607 6.857 9.518 19 QH1 ARG 1 QH2 ARG 1 -0.584 5.960 6.209 20 QH2 ARG 1 QH1 ARG 1 2.193 4.543 6.699 21 H ILE 2 HN ILE 2 -3.420 7.537 8.582 22 HA ILE 2 HA ILE 2 -5.584 6.002 7.237 23 HB ILE 2 HB ILE 2 -4.558 8.714 6.468 24 1HG1 ILE 2 2HG1 ILE 2 -5.103 9.022 8.797 25 2HG1 ILE 2 3HG1 ILE 2 -6.285 9.801 7.765 26 1HG2 ILE 2 3HG2 ILE 2 -6.062 7.497 4.889 27 2HG2 ILE 2 1HG2 ILE 2 -7.272 7.331 6.156 28 3HG2 ILE 2 2HG2 ILE 2 -6.854 8.942 5.553 29 1HD1 ILE 2 2HD1 ILE 2 -6.710 7.128 9.179 30 2HD1 ILE 2 3HD1 ILE 2 -7.335 8.705 9.691 31 3HD1 ILE 2 1HD1 ILE 2 -7.912 7.987 8.185 32 QG1 ILE 2 QG1 ILE 2 -5.694 9.412 8.281 33 QG2 ILE 2 QG2 ILE 2 -6.729 7.923 5.533 34 QD1 ILE 2 QD1 ILE 2 -7.319 7.940 9.018 35 H CYS 3 HN CYS 3 -5.296 5.071 5.222 36 HA CYS 3 HA CYS 3 -2.736 5.463 3.747 37 1HB CYS 3 2HB CYS 3 -3.970 2.804 4.574 38 2HB CYS 3 3HB CYS 3 -2.822 2.962 3.247 39 QB CYS 3 QB CYS 3 -3.396 2.883 3.910 40 OH TYR 4 OH TYR 4 -3.910 10.758 -1.430 41 H TYR 4 HN TYR 4 -3.006 4.786 1.420 42 HA TYR 4 HA TYR 4 -5.833 5.035 0.550 43 1HB TYR 4 2HB TYR 4 -3.377 4.607 -1.217 44 2HB TYR 4 3HB TYR 4 -5.014 4.847 -1.676 45 HD1 TYR 4 HD1 TYR 4 -6.263 6.970 -0.623 46 HD2 TYR 4 HD2 TYR 4 -1.992 6.638 -1.081 47 HE1 TYR 4 HE1 TYR 4 -6.110 9.422 -0.953 48 HE2 TYR 4 HE2 TYR 4 -1.863 9.099 -1.400 49 HH TYR 4 HH TYR 4 -3.050 11.062 -1.731 50 QB TYR 4 QB TYR 4 -4.195 4.727 -1.446 51 QR TYR 4 QR TYR 4 -4.057 8.032 -1.015 52 H ASN 5 HN ASN 5 -6.999 3.373 -0.263 53 HA ASN 5 HA ASN 5 -5.777 0.653 -0.229 54 1HB ASN 5 2HB ASN 5 -7.771 -0.323 0.602 55 2HB ASN 5 3HB ASN 5 -7.291 0.937 1.739 56 1HD2 ASN 5 2HD2 ASN 5 -10.081 3.100 0.858 57 2HD2 ASN 5 1HD2 ASN 5 -8.398 3.140 1.362 58 QB ASN 5 QB ASN 5 -7.531 0.307 1.171 59 QD2 ASN 5 QD2 ASN 5 -9.240 3.120 1.110 60 H HIS 6 HN HIS 6 -6.563 3.040 -2.196 61 HA HIS 6 HA HIS 6 -8.573 1.840 -3.851 62 1HB HIS 6 2HB HIS 6 -7.950 3.709 -5.413 63 2HB HIS 6 3HB HIS 6 -8.578 4.075 -3.817 64 HD1 HIS 6 HD1 HIS 6 -7.353 6.203 -2.877 65 HD2 HIS 6 HD2 HIS 6 -4.911 3.752 -5.292 66 HE1 HIS 6 HE1 HIS 6 -5.210 7.571 -3.482 67 HE2 HIS 6 HE2 HIS 6 -3.808 6.057 -4.925 68 QB HIS 6 QB HIS 6 -8.264 3.892 -4.615 69 H GLN 7 HN GLN 7 -8.449 0.814 -5.722 70 HA GLN 7 HA GLN 7 -5.862 -0.354 -6.567 71 1HB GLN 7 2HB GLN 7 -7.619 -1.877 -5.894 72 2HB GLN 7 3HB GLN 7 -8.773 -1.154 -7.020 73 1HG GLN 7 2HG GLN 7 -7.551 -2.050 -8.925 74 2HG GLN 7 3HG GLN 7 -6.229 -2.604 -7.876 75 1HE2 GLN 7 2HE2 GLN 7 -7.999 -5.425 -6.600 76 2HE2 GLN 7 1HE2 GLN 7 -6.725 -4.278 -6.225 77 QB GLN 7 QB GLN 7 -8.196 -1.516 -6.457 78 QG GLN 7 QG GLN 7 -6.890 -2.327 -8.400 79 QE2 GLN 7 QE2 GLN 7 -7.362 -4.852 -6.413 80 H SER 8 HN SER 8 -5.674 -0.591 -9.029 81 HA SER 8 HA SER 8 -6.104 1.842 -10.464 82 1HB SER 8 2HB SER 8 -5.650 0.243 -12.455 83 2HB SER 8 3HB SER 8 -4.397 0.666 -11.296 84 HG SER 8 HG SER 8 -6.078 -1.639 -11.275 85 QB SER 8 QB SER 8 -5.024 0.455 -11.876 86 H THR 9 HN THR 9 -8.522 2.022 -9.895 87 HA THR 9 HA THR 9 -10.132 0.983 -12.143 88 HB THR 9 HB THR 9 -10.253 -0.822 -10.501 89 HG1 THR 9 1HG THR 9 -12.024 -0.562 -11.760 90 1HG2 THR 9 3HG2 THR 9 -9.991 0.487 -8.392 91 2HG2 THR 9 1HG2 THR 9 -11.649 1.095 -8.592 92 3HG2 THR 9 2HG2 THR 9 -11.364 -0.635 -8.388 93 QG2 THR 9 QG2 THR 9 -11.002 0.316 -8.457 94 H THR 10 HN THR 10 -9.459 3.441 -12.221 95 HA THR 10 HA THR 10 -10.276 5.607 -12.336 96 HB THR 10 HB THR 10 -12.391 5.971 -12.852 97 HG1 THR 10 1HG THR 10 -13.098 3.736 -11.278 98 1HG2 THR 10 2HG2 THR 10 -11.343 4.414 -14.442 99 2HG2 THR 10 3HG2 THR 10 -12.093 3.040 -13.594 100 3HG2 THR 10 1HG2 THR 10 -13.108 4.257 -14.380 101 QG2 THR 10 QG2 THR 10 -12.181 3.904 -14.139 102 NH1 ARG 11 NH2 ARG 11 -18.390 8.108 -6.898 103 NH2 ARG 11 NH1 ARG 11 -18.480 9.090 -8.996 104 H ARG 11 HN ARG 11 -12.712 6.045 -10.717 105 HA ARG 11 HA ARG 11 -11.836 7.924 -8.934 106 1HB ARG 11 2HB ARG 11 -14.214 7.481 -9.478 107 2HB ARG 11 3HB ARG 11 -14.187 6.079 -8.393 108 1HG ARG 11 2HG ARG 11 -13.522 7.672 -6.509 109 2HG ARG 11 3HG ARG 11 -13.778 9.017 -7.626 110 1HD ARG 11 2HD ARG 11 -15.833 6.921 -6.792 111 2HD ARG 11 3HD ARG 11 -15.687 8.556 -6.102 112 HE ARG 11 HE ARG 11 -15.963 8.845 -8.897 113 1HH1 ARG 11 2HH2 ARG 11 -17.841 7.715 -6.147 114 2HH1 ARG 11 1HH2 ARG 11 -19.394 8.139 -6.798 115 1HH2 ARG 11 2HH1 ARG 11 -18.020 9.440 -9.824 116 2HH2 ARG 11 1HH1 ARG 11 -19.486 9.150 -8.949 117 QB ARG 11 QB ARG 11 -14.201 6.780 -8.936 118 QG ARG 11 QG ARG 11 -13.650 8.345 -7.068 119 QD ARG 11 QD ARG 11 -15.760 7.738 -6.447 120 QH1 ARG 11 QH2 ARG 11 -18.617 7.927 -6.472 121 QH2 ARG 11 QH1 ARG 11 -18.753 9.295 -9.387 122 H ALA 12 HN ALA 12 -10.617 7.987 -7.183 123 HA ALA 12 HA ALA 12 -9.723 5.538 -5.833 124 1HB ALA 12 3HB ALA 12 -8.867 8.459 -5.883 125 2HB ALA 12 1HB ALA 12 -8.128 7.281 -4.810 126 3HB ALA 12 2HB ALA 12 -8.021 7.052 -6.569 127 QB ALA 12 QB ALA 12 -8.339 7.597 -5.754 128 H THR 13 HN THR 13 -9.386 5.644 -3.364 129 HA THR 13 HA THR 13 -11.191 7.316 -1.827 130 HB THR 13 HB THR 13 -11.997 5.212 -0.620 131 HG1 THR 13 1HG THR 13 -11.410 3.834 -2.997 132 1HG2 THR 13 1HG2 THR 13 -13.472 6.457 -2.227 133 2HG2 THR 13 2HG2 THR 13 -12.967 5.338 -3.508 134 3HG2 THR 13 3HG2 THR 13 -13.830 4.727 -2.090 135 QG2 THR 13 QG2 THR 13 -13.423 5.507 -2.608 136 H THR 14 HN THR 14 -10.700 6.773 0.568 137 HA THR 14 HA THR 14 -7.883 5.980 1.111 138 HB THR 14 HB THR 14 -8.395 7.601 3.123 139 HG1 THR 14 1HG THR 14 -9.969 9.165 2.585 140 1HG2 THR 14 3HG2 THR 14 -8.058 8.673 0.294 141 2HG2 THR 14 1HG2 THR 14 -7.775 9.613 1.776 142 3HG2 THR 14 2HG2 THR 14 -6.770 8.194 1.434 143 QG2 THR 14 QG2 THR 14 -7.534 8.827 1.168 144 H LYS 15 HN LYS 15 -7.678 5.056 3.415 145 HA LYS 15 HA LYS 15 -10.107 4.687 4.873 146 1HB LYS 15 2HB LYS 15 -10.200 2.760 3.259 147 2HB LYS 15 3HB LYS 15 -8.750 2.089 4.017 148 1HG LYS 15 2HG LYS 15 -11.204 2.751 5.671 149 2HG LYS 15 3HG LYS 15 -11.296 1.380 4.578 150 1HD LYS 15 2HD LYS 15 -8.816 1.428 6.179 151 2HD LYS 15 3HD LYS 15 -10.313 1.223 7.138 152 1HE LYS 15 2HE LYS 15 -10.836 -0.770 5.763 153 2HE LYS 15 3HE LYS 15 -9.387 -0.475 4.781 154 1HZ LYS 15 1HZ LYS 15 -8.071 -0.732 6.814 155 2HZ LYS 15 2HZ LYS 15 -9.417 -1.071 7.673 156 3HZ LYS 15 3HZ LYS 15 -8.935 -2.097 6.477 157 QB LYS 15 QB LYS 15 -9.475 2.425 3.638 158 QG LYS 15 QG LYS 15 -11.250 2.065 5.124 159 QD LYS 15 QD LYS 15 -9.565 1.326 6.658 160 QE LYS 15 QE LYS 15 -10.111 -0.623 5.272 161 QZ LYS 15 QZ LYS 15 -8.808 -1.300 6.988 162 H SER 16 HN SER 16 -9.548 3.357 6.892 163 HA SER 16 HA SER 16 -6.968 4.420 7.948 164 1HB SER 16 2HB SER 16 -8.997 5.514 8.824 165 2HB SER 16 3HB SER 16 -9.516 3.963 9.521 166 HG SER 16 HG SER 16 -7.709 4.005 10.847 167 QB SER 16 QB SER 16 -9.257 4.738 9.173 168 H CYS 17 HN CYS 17 -5.769 3.277 9.409 169 HA CYS 17 HA CYS 17 -6.408 0.466 10.045 170 1HB CYS 17 2HB CYS 17 -4.328 1.290 8.268 171 2HB CYS 17 3HB CYS 17 -3.760 0.258 9.579 172 QB CYS 17 QB CYS 17 -4.044 0.774 8.924 173 H GLU 20 HN GLU 20 -4.942 -0.296 11.817 174 HA GLU 20 HA GLU 20 -4.211 1.828 13.700 175 1HB GLU 20 2HB GLU 20 -3.825 0.061 15.268 176 2HB GLU 20 3HB GLU 20 -5.388 -0.100 14.488 177 1HG GLU 20 2HG GLU 20 -4.706 -2.277 14.543 178 2HG GLU 20 3HG GLU 20 -4.190 -1.866 12.913 179 QB GLU 20 QB GLU 20 -4.607 -0.019 14.878 180 QG GLU 20 QG GLU 20 -4.448 -2.071 13.728 181 H GLU 21 HN GLU 21 -2.527 -0.810 11.902 182 HA GLU 21 HA GLU 21 0.015 -0.354 12.562 183 1HB GLU 21 2HB GLU 21 -0.541 -0.640 9.612 184 2HB GLU 21 3HB GLU 21 0.769 -1.332 10.558 185 1HG GLU 21 2HG GLU 21 -0.875 -2.823 11.694 186 2HG GLU 21 3HG GLU 21 -2.136 -2.225 10.568 187 QB GLU 21 QB GLU 21 0.114 -0.986 10.085 188 QG GLU 21 QG GLU 21 -1.506 -2.524 11.131 189 H ASN 22 HN ASN 22 1.662 1.049 12.101 190 HA ASN 22 HA ASN 22 0.871 3.692 11.115 191 1HB ASN 22 2HB ASN 22 2.285 3.503 13.116 192 2HB ASN 22 3HB ASN 22 3.583 2.819 12.117 193 1HD2 ASN 22 2HD2 ASN 22 4.722 6.185 11.788 194 2HD2 ASN 22 1HD2 ASN 22 5.048 4.602 12.472 195 QB ASN 22 QB ASN 22 2.934 3.161 12.616 196 QD2 ASN 22 QD2 ASN 22 4.885 5.393 12.130 197 H SER 23 HN SER 23 2.181 0.844 9.613 198 HA SER 23 HA SER 23 3.565 2.335 7.507 199 1HB SER 23 2HB SER 23 3.586 -0.191 6.668 200 2HB SER 23 3HB SER 23 4.704 0.438 7.866 201 HG SER 23 HG SER 23 3.604 -1.547 8.542 202 QB SER 23 QB SER 23 4.145 0.124 7.267 203 H CYS 24 HN CYS 24 3.017 2.064 5.367 204 HA CYS 24 HA CYS 24 0.387 0.881 4.671 205 1HB CYS 24 2HB CYS 24 1.655 3.142 3.091 206 2HB CYS 24 3HB CYS 24 0.133 2.291 2.765 207 QB CYS 24 QB CYS 24 0.894 2.717 2.928 208 OH TYR 25 OH TYR 25 -2.153 -5.359 0.525 209 H TYR 25 HN TYR 25 0.530 -0.061 2.483 210 HA TYR 25 HA TYR 25 3.215 -0.144 1.314 211 1HB TYR 25 2HB TYR 25 3.179 -2.407 0.770 212 2HB TYR 25 3HB TYR 25 2.769 -2.345 2.471 213 HD1 TYR 25 HD1 TYR 25 0.200 -2.385 3.039 214 HD2 TYR 25 HD2 TYR 25 1.825 -3.580 -0.763 215 HE1 TYR 25 HE1 TYR 25 -1.755 -3.861 2.674 216 HE2 TYR 25 HE2 TYR 25 -0.158 -5.027 -1.153 217 HH TYR 25 HH TYR 25 -2.818 -5.306 1.213 218 QB TYR 25 QB TYR 25 2.974 -2.376 1.620 219 QR TYR 25 QR TYR 25 0.028 -3.713 0.949 220 H LYS 26 HN LYS 26 3.285 -0.669 -0.843 221 HA LYS 26 HA LYS 26 0.947 0.065 -2.512 222 1HB LYS 26 2HB LYS 26 2.699 1.926 -2.123 223 2HB LYS 26 3HB LYS 26 3.883 0.872 -2.906 224 1HG LYS 26 2HG LYS 26 2.313 0.796 -4.936 225 2HG LYS 26 3HG LYS 26 1.315 1.972 -4.066 226 1HD LYS 26 2HD LYS 26 3.383 3.430 -3.863 227 2HD LYS 26 3HD LYS 26 4.208 2.340 -5.000 228 1HE LYS 26 2HE LYS 26 2.450 2.848 -6.726 229 2HE LYS 26 3HE LYS 26 1.547 3.721 -5.476 230 1HZ LYS 26 1HZ LYS 26 3.387 5.261 -5.254 231 2HZ LYS 26 2HZ LYS 26 3.997 4.730 -6.735 232 3HZ LYS 26 3HZ LYS 26 2.478 5.402 -6.485 233 QB LYS 26 QB LYS 26 3.291 1.399 -2.514 234 QG LYS 26 QG LYS 26 1.814 1.384 -4.501 235 QD LYS 26 QD LYS 26 3.795 2.885 -4.432 236 QE LYS 26 QE LYS 26 1.998 3.285 -6.101 237 QZ LYS 26 QZ LYS 26 3.287 5.131 -6.158 238 H LYS 27 HN LYS 27 0.730 -1.485 -4.163 239 HA LYS 27 HA LYS 27 3.010 -3.274 -4.825 240 1HB LYS 27 2HB LYS 27 1.659 -4.454 -3.225 241 2HB LYS 27 3HB LYS 27 0.160 -3.969 -4.028 242 1HG LYS 27 2HG LYS 27 0.810 -5.345 -6.010 243 2HG LYS 27 3HG LYS 27 2.298 -5.837 -5.167 244 1HD LYS 27 2HD LYS 27 1.045 -6.895 -3.397 245 2HD LYS 27 3HD LYS 27 -0.488 -6.270 -3.981 246 1HE LYS 27 2HE LYS 27 1.233 -8.220 -5.578 247 2HE LYS 27 3HE LYS 27 -0.057 -8.701 -4.450 248 1HZ LYS 27 2HZ LYS 27 -1.614 -7.405 -5.727 249 2HZ LYS 27 3HZ LYS 27 -0.479 -7.051 -6.843 250 3HZ LYS 27 1HZ LYS 27 -0.953 -8.606 -6.636 251 QB LYS 27 QB LYS 27 0.910 -4.211 -3.626 252 QG LYS 27 QG LYS 27 1.554 -5.591 -5.589 253 QD LYS 27 QD LYS 27 0.278 -6.582 -3.689 254 QE LYS 27 QE LYS 27 0.588 -8.461 -5.014 255 QZ LYS 27 QZ LYS 27 -1.015 -7.687 -6.402 256 OH TYR 28 OH TYR 28 7.851 0.398 -6.911 257 H TYR 28 HN TYR 28 3.347 -3.007 -7.088 258 HA TYR 28 HA TYR 28 1.029 -2.240 -8.765 259 1HB TYR 28 2HB TYR 28 2.384 -0.387 -9.572 260 2HB TYR 28 3HB TYR 28 1.802 -0.157 -7.936 261 HD1 TYR 28 HD2 TYR 28 3.552 -0.725 -6.005 262 HD2 TYR 28 HD1 TYR 28 4.649 -0.005 -10.114 263 HE1 TYR 28 HE2 TYR 28 5.839 -0.178 -5.292 264 HE2 TYR 28 HE1 TYR 28 6.958 0.517 -9.393 265 HH TYR 28 HH TYR 28 7.997 0.213 -5.982 266 QB TYR 28 QB TYR 28 2.093 -0.272 -8.754 267 QR TYR 28 QR TYR 28 5.250 -0.098 -7.701 268 CH2 TRP 29 CH2 TRP 29 -2.075 -6.119 -8.713 269 H TRP 29 HN TRP 29 1.206 -2.765 -10.910 270 HA TRP 29 HA TRP 29 3.783 -3.688 -11.963 271 1HB TRP 29 2HB TRP 29 2.902 -5.830 -12.653 272 2HB TRP 29 3HB TRP 29 2.993 -5.690 -10.914 273 HD1 TRP 29 HD1 TRP 29 0.801 -6.796 -13.599 274 HE1 TRP 29 HE1 TRP 29 -1.459 -7.546 -12.706 275 HE3 TRP 29 HE3 TRP 29 1.000 -4.689 -8.907 276 HZ2 TRP 29 HZ2 TRP 29 -2.963 -7.359 -10.243 277 HZ3 TRP 29 HZ3 TRP 29 -0.954 -4.805 -7.428 278 HH2 TRP 29 HH2 TRP 29 -2.916 -6.199 -8.038 279 QB TRP 29 QB TRP 29 2.948 -5.760 -11.784 280 NH1 ARG 30 NH2 ARG 30 4.143 -3.393 -20.646 281 NH2 ARG 30 NH1 ARG 30 6.418 -3.735 -20.423 282 H ARG 30 HN ARG 30 3.760 -3.951 -14.267 283 HA ARG 30 HA ARG 30 1.706 -2.285 -15.620 284 1HB ARG 30 2HB ARG 30 4.053 -1.629 -15.878 285 2HB ARG 30 3HB ARG 30 4.396 -3.194 -16.657 286 1HG ARG 30 2HG ARG 30 2.682 -2.523 -18.418 287 2HG ARG 30 3HG ARG 30 2.507 -0.977 -17.612 288 1HD ARG 30 2HD ARG 30 3.956 -0.804 -19.560 289 2HD ARG 30 3HD ARG 30 4.845 -0.451 -18.080 290 HE ARG 30 HE ARG 30 6.218 -2.213 -18.459 291 1HH1 ARG 30 2HH2 ARG 30 3.236 -3.142 -20.245 292 2HH1 ARG 30 1HH2 ARG 30 4.116 -3.995 -21.452 293 1HH2 ARG 30 2HH1 ARG 30 7.298 -3.538 -19.969 294 2HH2 ARG 30 1HH1 ARG 30 6.416 -4.373 -21.204 295 QB ARG 30 QB ARG 30 4.224 -2.412 -16.267 296 QG ARG 30 QG ARG 30 2.594 -1.750 -18.015 297 QD ARG 30 QD ARG 30 4.401 -0.627 -18.820 298 QH1 ARG 30 QH2 ARG 30 3.676 -3.568 -20.848 299 QH2 ARG 30 QH1 ARG 30 6.857 -3.956 -20.587 300 H ASP 31 HN ASP 31 0.846 -3.109 -17.603 301 HA ASP 31 HA ASP 31 1.292 -5.960 -18.223 302 1HB ASP 31 2HB ASP 31 -0.898 -6.661 -18.245 303 2HB ASP 31 3HB ASP 31 -0.795 -5.721 -16.762 304 QB ASP 31 QB ASP 31 -0.846 -6.191 -17.504 305 H HIS 32 HN HIS 32 -0.921 -5.657 -20.225 306 HA HIS 32 HA HIS 32 0.847 -4.596 -22.390 307 1HB HIS 32 2HB HIS 32 -1.030 -5.688 -23.858 308 2HB HIS 32 3HB HIS 32 0.347 -6.557 -23.219 309 HD1 HIS 32 HD1 HIS 32 -2.744 -5.767 -21.001 310 HD2 HIS 32 HD2 HIS 32 -0.691 -8.957 -22.865 311 HE1 HIS 32 HE1 HIS 32 -3.799 -7.900 -20.128 312 HE2 HIS 32 HE2 HIS 32 -2.529 -9.855 -21.231 313 QB HIS 32 QB HIS 32 -0.341 -6.123 -23.538 314 NH1 ARG 33 NH2 ARG 33 -3.599 1.002 -26.566 315 NH2 ARG 33 NH1 ARG 33 -5.639 1.461 -25.575 316 H ARG 33 HN ARG 33 0.429 -2.725 -23.030 317 HA ARG 33 HA ARG 33 -0.351 -0.576 -22.845 318 1HB ARG 33 2HB ARG 33 -2.357 -0.112 -24.180 319 2HB ARG 33 3HB ARG 33 -1.166 -1.115 -25.011 320 1HG ARG 33 2HG ARG 33 -2.484 -3.111 -24.704 321 2HG ARG 33 3HG ARG 33 -3.632 -2.279 -23.644 322 1HD ARG 33 2HD ARG 33 -3.187 -1.605 -26.594 323 2HD ARG 33 3HD ARG 33 -4.438 -2.658 -25.971 324 HE ARG 33 HE ARG 33 -5.543 -0.930 -24.857 325 1HH1 ARG 33 2HH2 ARG 33 -2.843 0.359 -26.740 326 2HH1 ARG 33 1HH2 ARG 33 -3.520 1.947 -26.911 327 1HH2 ARG 33 2HH1 ARG 33 -6.443 1.168 -25.038 328 2HH2 ARG 33 1HH1 ARG 33 -5.597 2.422 -25.881 329 QB ARG 33 QB ARG 33 -1.762 -0.614 -24.596 330 QG ARG 33 QG ARG 33 -3.058 -2.695 -24.174 331 QD ARG 33 QD ARG 33 -3.813 -2.132 -26.282 332 QH1 ARG 33 QH2 ARG 33 -3.182 1.153 -26.825 333 QH2 ARG 33 QH1 ARG 33 -6.020 1.795 -25.459 334 H GLY 34 HN GLY 34 -0.550 -1.643 -20.359 335 1HA GLY 34 1HA GLY 34 -2.668 -0.110 -19.168 336 2HA GLY 34 2HA GLY 34 -2.970 -1.862 -19.102 337 QA GLY 34 QA GLY 34 -2.819 -0.986 -19.135 338 H THR 35 HN THR 35 -2.686 -0.555 -16.754 339 HA THR 35 HA THR 35 -0.271 -1.589 -15.559 340 HB THR 35 HB THR 35 -0.813 1.346 -15.966 341 HG1 THR 35 1HG THR 35 1.590 -0.134 -15.782 342 1HG2 THR 35 2HG2 THR 35 0.641 0.221 -13.538 343 2HG2 THR 35 3HG2 THR 35 0.805 1.892 -14.134 344 3HG2 THR 35 1HG2 THR 35 -0.773 1.311 -13.592 345 QG2 THR 35 QG2 THR 35 0.224 1.141 -13.754 346 H ILE 36 HN ILE 36 -0.658 -2.175 -13.458 347 HA ILE 36 HA ILE 36 -3.404 -1.673 -12.465 348 HB ILE 36 HB ILE 36 -1.775 -4.220 -12.386 349 1HG1 ILE 36 2HG1 ILE 36 -4.442 -3.609 -13.753 350 2HG1 ILE 36 3HG1 ILE 36 -2.891 -3.601 -14.599 351 1HG2 ILE 36 3HG2 ILE 36 -3.120 -3.917 -10.301 352 2HG2 ILE 36 1HG2 ILE 36 -4.567 -3.622 -11.283 353 3HG2 ILE 36 2HG2 ILE 36 -3.797 -5.203 -11.294 354 1HD1 ILE 36 2HD1 ILE 36 -2.518 -5.957 -14.077 355 2HD1 ILE 36 3HD1 ILE 36 -4.115 -6.049 -13.290 356 3HD1 ILE 36 1HD1 ILE 36 -3.994 -5.681 -15.013 357 QG1 ILE 36 QG1 ILE 36 -3.667 -3.605 -14.176 358 QG2 ILE 36 QG2 ILE 36 -3.828 -4.247 -10.959 359 QD1 ILE 36 QD1 ILE 36 -3.542 -5.896 -14.127 360 H ILE 37 HN ILE 37 -3.543 -0.882 -10.434 361 HA ILE 37 HA ILE 37 -1.079 -0.691 -8.727 362 HB ILE 37 HB ILE 37 -3.408 1.223 -9.252 363 1HG1 ILE 37 2HG1 ILE 37 -1.686 2.914 -9.512 364 2HG1 ILE 37 3HG1 ILE 37 -0.402 1.782 -9.051 365 1HG2 ILE 37 2HG2 ILE 37 -3.156 1.032 -6.765 366 2HG2 ILE 37 3HG2 ILE 37 -1.419 1.341 -6.944 367 3HG2 ILE 37 1HG2 ILE 37 -2.632 2.574 -7.385 368 1HD1 ILE 37 3HD1 ILE 37 -2.084 1.496 -11.563 369 2HD1 ILE 37 1HD1 ILE 37 -0.534 2.363 -11.465 370 3HD1 ILE 37 2HD1 ILE 37 -0.580 0.630 -11.135 371 QG1 ILE 37 QG1 ILE 37 -1.044 2.348 -9.281 372 QG2 ILE 37 QG2 ILE 37 -2.403 1.649 -7.031 373 QD1 ILE 37 QD1 ILE 37 -1.066 1.496 -11.388 374 H GLU 38 HN GLU 38 -1.323 -1.606 -6.713 375 HA GLU 38 HA GLU 38 -4.032 -1.892 -5.539 376 1HB GLU 38 2HB GLU 38 -3.191 -4.079 -6.456 377 2HB GLU 38 3HB GLU 38 -1.767 -3.886 -5.409 378 1HG GLU 38 2HG GLU 38 -3.353 -3.856 -3.423 379 2HG GLU 38 3HG GLU 38 -4.643 -4.330 -4.552 380 QB GLU 38 QB GLU 38 -2.479 -3.983 -5.933 381 QG GLU 38 QG GLU 38 -3.998 -4.093 -3.987 382 NH1 ARG 39 NH2 ARG 39 -1.857 5.416 -5.996 383 NH2 ARG 39 NH1 ARG 39 -0.431 4.191 -7.348 384 H ARG 39 HN ARG 39 -3.966 -1.206 -3.305 385 HA ARG 39 HA ARG 39 -1.379 -0.353 -2.139 386 1HB ARG 39 2HB ARG 39 -3.737 1.398 -2.971 387 2HB ARG 39 3HB ARG 39 -2.678 1.856 -1.643 388 1HG ARG 39 2HG ARG 39 -0.722 1.779 -3.050 389 2HG ARG 39 3HG ARG 39 -1.668 1.133 -4.401 390 1HD ARG 39 2HD ARG 39 -2.979 3.218 -4.458 391 2HD ARG 39 3HD ARG 39 -1.813 3.940 -3.320 392 HE ARG 39 HE ARG 39 -0.367 2.659 -5.348 393 1HH1 ARG 39 2HH2 ARG 39 -1.969 5.654 -5.027 394 2HH1 ARG 39 1HH2 ARG 39 -1.898 6.139 -6.701 395 1HH2 ARG 39 2HH1 ARG 39 0.065 3.338 -7.549 396 2HH2 ARG 39 1HH1 ARG 39 -0.377 4.947 -8.016 397 QB ARG 39 QB ARG 39 -3.207 1.627 -2.307 398 QG ARG 39 QG ARG 39 -1.195 1.456 -3.725 399 QD ARG 39 QD ARG 39 -2.396 3.579 -3.889 400 QH1 ARG 39 QH2 ARG 39 -1.933 5.896 -5.864 401 QH2 ARG 39 QH1 ARG 39 -0.156 4.142 -7.783 402 H GLY 40 HN GLY 40 -1.497 -0.355 0.166 403 1HA GLY 40 1HA GLY 40 -4.095 -0.603 1.444 404 2HA GLY 40 2HA GLY 40 -3.190 -2.130 1.402 405 QA GLY 40 QA GLY 40 -3.642 -1.366 1.423 406 H CYS 41 HN CYS 41 -3.669 -1.469 3.791 407 HA CYS 41 HA CYS 41 -1.783 0.414 4.990 408 1HB CYS 41 2HB CYS 41 -3.326 0.482 6.690 409 2HB CYS 41 3HB CYS 41 -4.397 -0.228 5.513 410 QB CYS 41 QB CYS 41 -3.861 0.127 6.101 411 H GLY 42 HN GLY 42 -0.440 -0.325 6.880 412 1HA GLY 42 1HA GLY 42 0.710 -1.921 8.119 413 2HA GLY 42 2HA GLY 42 0.006 -3.213 7.128 414 QA GLY 42 QA GLY 42 0.358 -2.567 7.623 415 H CYS 43 HN CYS 43 2.230 -4.096 7.090 416 HA CYS 43 HA CYS 43 3.318 -3.383 4.444 417 1HB CYS 43 2HB CYS 43 4.789 -2.100 5.926 418 2HB CYS 43 3HB CYS 43 5.193 -3.589 6.796 419 QB CYS 43 QB CYS 43 4.991 -2.845 6.361 420 HA PRO 44 HA PRO 44 3.130 -7.967 5.071 421 1HB PRO 44 2HB PRO 44 1.322 -8.604 3.142 422 2HB PRO 44 3HB PRO 44 0.803 -7.988 4.740 423 1HG PRO 44 2HG PRO 44 1.175 -6.386 2.185 424 2HG PRO 44 3HG PRO 44 -0.267 -6.425 3.245 425 1HD PRO 44 2HD PRO 44 1.676 -4.506 3.464 426 2HD PRO 44 3HD PRO 44 0.821 -5.131 4.904 427 QB PRO 44 QB PRO 44 1.063 -8.296 3.941 428 QG PRO 44 QG PRO 44 0.454 -6.405 2.715 429 QD PRO 44 QD PRO 44 1.249 -4.819 4.184 430 H LYS 45 HN LYS 45 3.838 -9.559 3.403 431 HA LYS 45 HA LYS 45 5.601 -8.363 1.345 432 1HB LYS 45 2HB LYS 45 6.538 -9.993 2.805 433 2HB LYS 45 3HB LYS 45 5.312 -11.210 2.374 434 1HG LYS 45 2HG LYS 45 6.267 -11.306 0.090 435 2HG LYS 45 3HG LYS 45 7.418 -10.009 0.512 436 1HD LYS 45 2HD LYS 45 8.366 -11.476 2.279 437 2HD LYS 45 3HD LYS 45 7.204 -12.746 1.842 438 1HE LYS 45 2HE LYS 45 8.189 -12.797 -0.482 439 2HE LYS 45 3HE LYS 45 9.355 -11.559 0.013 440 1HZ LYS 45 2HZ LYS 45 10.035 -13.213 1.769 441 2HZ LYS 45 3HZ LYS 45 9.183 -14.344 0.926 442 3HZ LYS 45 1HZ LYS 45 10.452 -13.574 0.222 443 QB LYS 45 QB LYS 45 5.925 -10.602 2.590 444 QG LYS 45 QG LYS 45 6.843 -10.657 0.301 445 QD LYS 45 QD LYS 45 7.785 -12.111 2.060 446 QE LYS 45 QE LYS 45 8.772 -12.178 -0.234 447 QZ LYS 45 QZ LYS 45 9.890 -13.710 0.972 448 H VAL 46 HN VAL 46 5.590 -9.260 -0.734 449 HA VAL 46 HA VAL 46 2.841 -9.868 -1.784 450 HB VAL 46 HB VAL 46 3.345 -8.477 -3.688 451 1HG1 VAL 46 1HG1 VAL 46 2.421 -7.365 -1.689 452 2HG1 VAL 46 2HG1 VAL 46 4.049 -7.020 -1.107 453 3HG1 VAL 46 3HG1 VAL 46 3.481 -6.282 -2.616 454 1HG2 VAL 46 3HG2 VAL 46 5.813 -8.919 -3.846 455 2HG2 VAL 46 1HG2 VAL 46 5.389 -7.221 -3.941 456 3HG2 VAL 46 2HG2 VAL 46 6.063 -7.875 -2.431 457 QG1 VAL 46 QG1 VAL 46 3.317 -6.889 -1.804 458 QG2 VAL 46 QG2 VAL 46 5.755 -8.005 -3.406 459 QQG VAL 46 QQG VAL 46 4.536 -7.447 -2.605 460 H LYS 47 HN LYS 47 3.304 -10.425 -4.340 461 HA LYS 47 HA LYS 47 4.797 -12.996 -4.278 462 1HB LYS 47 2HB LYS 47 2.724 -12.021 -6.259 463 2HB LYS 47 3HB LYS 47 3.335 -13.658 -6.100 464 1HG LYS 47 2HG LYS 47 2.361 -13.833 -3.828 465 2HG LYS 47 3HG LYS 47 1.604 -12.237 -4.044 466 1HD LYS 47 2HD LYS 47 0.494 -13.072 -6.126 467 2HD LYS 47 3HD LYS 47 1.120 -14.690 -5.811 468 1HE LYS 47 2HE LYS 47 -0.809 -13.091 -4.038 469 2HE LYS 47 3HE LYS 47 -1.239 -14.429 -5.109 470 1HZ LYS 47 1HZ LYS 47 0.169 -15.864 -3.752 471 2HZ LYS 47 2HZ LYS 47 0.468 -14.617 -2.715 472 3HZ LYS 47 3HZ LYS 47 -1.058 -15.196 -2.890 473 QB LYS 47 QB LYS 47 3.029 -12.839 -6.180 474 QG LYS 47 QG LYS 47 1.982 -13.035 -3.936 475 QD LYS 47 QD LYS 47 0.807 -13.881 -5.968 476 QE LYS 47 QE LYS 47 -1.024 -13.760 -4.574 477 QZ LYS 47 QZ LYS 47 -0.140 -15.226 -3.119 478 HA PRO 48 HA PRO 48 7.751 -11.104 -6.857 479 1HB PRO 48 2HB PRO 48 8.744 -13.055 -8.480 480 2HB PRO 48 3HB PRO 48 8.857 -13.144 -6.698 481 1HG PRO 48 2HG PRO 48 6.792 -14.441 -8.485 482 2HG PRO 48 3HG PRO 48 7.749 -15.217 -7.187 483 1HD PRO 48 2HD PRO 48 5.208 -14.297 -6.853 484 2HD PRO 48 3HD PRO 48 6.364 -14.221 -5.500 485 QB PRO 48 QB PRO 48 8.800 -13.100 -7.589 486 QG PRO 48 QG PRO 48 7.271 -14.829 -7.836 487 QD PRO 48 QD PRO 48 5.786 -14.259 -6.176 488 H GLY 49 HN GLY 49 8.505 -10.629 -9.163 489 1HA GLY 49 1HA GLY 49 8.104 -9.701 -11.189 490 2HA GLY 49 2HA GLY 49 6.821 -10.898 -11.398 491 QA GLY 49 QA GLY 49 7.463 -10.300 -11.294 492 H VAL 50 HN VAL 50 6.732 -8.654 -8.687 493 HA VAL 50 HA VAL 50 4.936 -6.735 -10.016 494 HB VAL 50 HB VAL 50 4.285 -8.364 -7.495 495 1HG1 VAL 50 3HG1 VAL 50 3.015 -5.859 -8.646 496 2HG1 VAL 50 1HG1 VAL 50 2.154 -6.950 -7.542 497 3HG1 VAL 50 2HG1 VAL 50 3.633 -6.136 -7.008 498 1HG2 VAL 50 2HG2 VAL 50 2.838 -8.130 -10.172 499 2HG2 VAL 50 3HG2 VAL 50 3.664 -9.568 -9.537 500 3HG2 VAL 50 1HG2 VAL 50 2.216 -8.967 -8.735 501 QG1 VAL 50 QG1 VAL 50 2.934 -6.315 -7.732 502 QG2 VAL 50 QG2 VAL 50 2.906 -8.888 -9.481 503 QQG VAL 50 QQG VAL 50 2.920 -7.602 -8.607 504 H GLY 51 HN GLY 51 5.392 -4.603 -9.173 505 1HA GLY 51 1HA GLY 51 7.711 -4.446 -7.528 506 2HA GLY 51 2HA GLY 51 6.853 -3.058 -8.149 507 QA GLY 51 QA GLY 51 7.282 -3.752 -7.839 508 H ILE 52 HN ILE 52 7.703 -3.092 -5.645 509 HA ILE 52 HA ILE 52 5.240 -2.853 -4.113 510 HB ILE 52 HB ILE 52 5.806 -5.127 -3.711 511 1HG1 ILE 52 2HG1 ILE 52 4.925 -3.602 -1.804 512 2HG1 ILE 52 3HG1 ILE 52 5.384 -5.270 -1.526 513 1HG2 ILE 52 1HG2 ILE 52 8.195 -5.185 -4.119 514 2HG2 ILE 52 2HG2 ILE 52 8.510 -4.230 -2.654 515 3HG2 ILE 52 3HG2 ILE 52 7.837 -5.870 -2.530 516 1HD1 ILE 52 2HD1 ILE 52 7.239 -2.990 -0.804 517 2HD1 ILE 52 3HD1 ILE 52 6.086 -3.782 0.279 518 3HD1 ILE 52 1HD1 ILE 52 7.411 -4.713 -0.429 519 QG1 ILE 52 QG1 ILE 52 5.154 -4.436 -1.665 520 QG2 ILE 52 QG2 ILE 52 8.181 -5.095 -3.101 521 QD1 ILE 52 QD1 ILE 52 6.912 -3.829 -0.318 522 H HIS 53 HN HIS 53 5.405 -1.390 -2.296 523 HA HIS 53 HA HIS 53 8.028 -0.752 -1.292 524 1HB HIS 53 2HB HIS 53 6.581 1.160 -3.027 525 2HB HIS 53 3HB HIS 53 6.735 1.755 -1.391 526 HD1 HIS 53 HD1 HIS 53 9.292 -0.280 -3.482 527 HD2 HIS 53 HD2 HIS 53 8.861 3.353 -1.377 528 HE1 HIS 53 HE1 HIS 53 11.609 0.858 -3.498 529 HE2 HIS 53 HE2 HIS 53 11.325 3.070 -2.217 530 QB HIS 53 QB HIS 53 6.658 1.458 -2.209 531 H CYS 54 HN CYS 54 7.814 0.270 0.853 532 HA CYS 54 HA CYS 54 5.115 0.340 1.984 533 1HB CYS 54 2HB CYS 54 7.530 -0.955 3.303 534 2HB CYS 54 3HB CYS 54 6.061 -0.462 4.144 535 QB CYS 54 QB CYS 54 6.795 -0.708 3.724 536 H CYS 55 HN CYS 55 4.979 1.949 3.694 537 HA CYS 55 HA CYS 55 7.257 3.680 4.208 538 1HB CYS 55 2HB CYS 55 6.142 5.657 3.158 539 2HB CYS 55 3HB CYS 55 6.799 4.487 2.026 540 QB CYS 55 QB CYS 55 6.471 5.072 2.592 541 H GLN 56 HN GLN 56 6.622 5.525 5.489 542 HA GLN 56 HA GLN 56 4.549 4.672 7.474 543 1HB GLN 56 2HB GLN 56 6.178 5.225 9.218 544 2HB GLN 56 3HB GLN 56 6.688 3.907 8.165 545 1HG GLN 56 2HG GLN 56 8.221 5.389 6.947 546 2HG GLN 56 3HG GLN 56 7.689 6.782 7.895 547 1HE2 GLN 56 2HE2 GLN 56 9.831 6.028 10.608 548 2HE2 GLN 56 1HE2 GLN 56 8.625 7.122 9.951 549 QB GLN 56 QB GLN 56 6.433 4.566 8.691 550 QG GLN 56 QG GLN 56 7.955 6.086 7.421 551 QE2 GLN 56 QE2 GLN 56 9.228 6.575 10.279 552 H SER 57 HN SER 57 3.666 6.583 5.746 553 HA SER 57 HA SER 57 3.141 8.707 7.688 554 1HB SER 57 2HB SER 57 3.472 10.379 5.590 555 2HB SER 57 3HB SER 57 4.732 10.055 6.790 556 HG SER 57 HG SER 57 5.673 8.595 5.416 557 QB SER 57 QB SER 57 4.102 10.217 6.190 558 H ASP 58 HN ASP 58 1.147 9.803 7.326 559 HA ASP 58 HA ASP 58 -0.841 8.171 6.472 560 1HB ASP 58 2HB ASP 58 -0.865 11.116 6.945 561 2HB ASP 58 3HB ASP 58 -2.314 10.199 6.495 562 QB ASP 58 QB ASP 58 -1.589 10.657 6.720 563 H LYS 59 HN LYS 59 -1.788 7.647 4.594 564 HA LYS 59 HA LYS 59 -2.109 7.376 2.348 565 1HB LYS 59 2HB LYS 59 -2.070 10.415 2.514 566 2HB LYS 59 3HB LYS 59 -2.217 9.614 0.996 567 1HG LYS 59 2HG LYS 59 -4.408 9.972 1.503 568 2HG LYS 59 3HG LYS 59 -4.159 8.277 1.873 569 1HD LYS 59 2HD LYS 59 -5.530 9.367 3.571 570 2HD LYS 59 3HD LYS 59 -4.024 8.754 4.258 571 1HE LYS 59 2HE LYS 59 -4.695 11.002 5.141 572 2HE LYS 59 3HE LYS 59 -3.090 10.994 4.411 573 1HZ LYS 59 3HZ LYS 59 -5.548 11.952 3.090 574 2HZ LYS 59 1HZ LYS 59 -4.358 12.893 3.731 575 3HZ LYS 59 2HZ LYS 59 -4.032 11.941 2.429 576 QB LYS 59 QB LYS 59 -2.143 10.015 1.755 577 QG LYS 59 QG LYS 59 -4.283 9.125 1.688 578 QD LYS 59 QD LYS 59 -4.777 9.061 3.915 579 QE LYS 59 QE LYS 59 -3.893 10.998 4.776 580 QZ LYS 59 QZ LYS 59 -4.646 12.262 3.083 581 H CYS 60 HN CYS 60 0.901 7.648 3.367 582 HA CYS 60 HA CYS 60 2.364 8.736 1.280 583 1HB CYS 60 2HB CYS 60 4.250 7.474 2.093 584 2HB CYS 60 3HB CYS 60 3.275 8.055 3.430 585 QB CYS 60 QB CYS 60 3.762 7.764 2.762 586 H ASN 61 HN ASN 61 0.749 5.591 1.243 587 HA ASN 61 HA ASN 61 2.498 4.392 -0.670 588 1HB ASN 61 2HB ASN 61 0.918 2.554 -0.675 589 2HB ASN 61 3HB ASN 61 1.352 3.062 0.936 590 1HD2 ASN 61 2HD2 ASN 61 -2.342 2.308 0.758 591 2HD2 ASN 61 1HD2 ASN 61 -0.825 1.447 0.513 592 QB ASN 61 QB ASN 61 1.135 2.808 0.131 593 QD2 ASN 61 QD2 ASN 61 -1.583 1.877 0.635 594 OH TYR 62 OH TYR 62 -1.837 11.757 -7.475 595 H TYR 62 HN TYR 62 1.046 6.936 -1.704 596 HA TYR 62 HA TYR 62 -0.400 5.788 -3.974 597 1HB TYR 62 2HB TYR 62 -1.553 7.529 -3.332 598 2HB TYR 62 3HB TYR 62 -0.216 8.393 -2.654 599 HD1 TYR 62 HD1 TYR 62 -0.585 7.564 -6.393 600 HD2 TYR 62 HD2 TYR 62 -0.723 10.535 -3.253 601 HE1 TYR 62 HE1 TYR 62 -1.220 9.227 -8.020 602 HE2 TYR 62 HE2 TYR 62 -1.467 12.198 -4.916 603 HH TYR 62 HH TYR 62 -1.830 11.443 -8.382 604 QB TYR 62 QB TYR 62 -0.885 7.961 -2.993 605 QR TYR 62 QR TYR 62 -0.999 9.881 -5.646 Start of MODEL 11 Raw file had 605 H/Q atoms Start of MODEL 11 1 NH1 ARG 1 NH2 ARG 1 1.113 7.624 12.130 2 NH2 ARG 1 NH1 ARG 1 2.923 6.466 11.288 3 H ARG 1 HN ARG 1 -3.663 4.657 12.897 4 HA ARG 1 HA ARG 1 -3.157 6.520 11.331 5 1HB ARG 1 2HB ARG 1 -1.672 4.474 11.564 6 2HB ARG 1 3HB ARG 1 -2.636 3.709 10.290 7 1HG ARG 1 2HG ARG 1 -0.546 4.389 9.397 8 2HG ARG 1 3HG ARG 1 -1.802 5.319 8.639 9 1HD ARG 1 2HD ARG 1 -0.613 7.123 9.127 10 2HD ARG 1 3HD ARG 1 -1.063 6.962 10.818 11 HE ARG 1 HE ARG 1 1.333 5.598 9.625 12 1HH1 ARG 1 2HH2 ARG 1 0.166 7.946 12.033 13 2HH1 ARG 1 1HH2 ARG 1 1.677 7.996 12.880 14 1HH2 ARG 1 2HH1 ARG 1 3.353 6.007 10.480 15 2HH2 ARG 1 1HH1 ARG 1 3.536 6.797 12.016 16 QB ARG 1 QB ARG 1 -2.154 4.091 10.927 17 QG ARG 1 QG ARG 1 -1.174 4.854 9.018 18 QD ARG 1 QD ARG 1 -0.838 7.042 9.973 19 QH1 ARG 1 QH2 ARG 1 0.921 7.971 12.456 20 QH2 ARG 1 QH1 ARG 1 3.445 6.402 11.248 21 H ILE 2 HN ILE 2 -3.161 6.958 8.793 22 HA ILE 2 HA ILE 2 -5.690 5.986 7.570 23 HB ILE 2 HB ILE 2 -4.520 8.750 7.193 24 1HG1 ILE 2 2HG1 ILE 2 -5.298 8.608 9.534 25 2HG1 ILE 2 3HG1 ILE 2 -6.242 9.716 8.553 26 1HG2 ILE 2 1HG2 ILE 2 -7.209 7.514 6.432 27 2HG2 ILE 2 2HG2 ILE 2 -6.752 9.210 6.187 28 3HG2 ILE 2 3HG2 ILE 2 -5.895 7.921 5.325 29 1HD1 ILE 2 1HD1 ILE 2 -7.163 6.877 9.148 30 2HD1 ILE 2 2HD1 ILE 2 -7.584 8.286 10.129 31 3HD1 ILE 2 3HD1 ILE 2 -8.115 8.200 8.444 32 QG1 ILE 2 QG1 ILE 2 -5.770 9.162 9.043 33 QG2 ILE 2 QG2 ILE 2 -6.619 8.215 5.981 34 QD1 ILE 2 QD1 ILE 2 -7.621 7.787 9.241 35 H CYS 3 HN CYS 3 -5.441 5.213 5.505 36 HA CYS 3 HA CYS 3 -2.841 5.593 4.100 37 1HB CYS 3 2HB CYS 3 -4.193 2.930 4.728 38 2HB CYS 3 3HB CYS 3 -2.893 3.150 3.557 39 QB CYS 3 QB CYS 3 -3.543 3.040 4.142 40 OH TYR 4 OH TYR 4 -3.516 11.323 -0.952 41 H TYR 4 HN TYR 4 -3.018 5.173 1.813 42 HA TYR 4 HA TYR 4 -5.664 5.691 0.653 43 1HB TYR 4 2HB TYR 4 -2.909 5.234 -0.515 44 2HB TYR 4 3HB TYR 4 -4.352 5.354 -1.482 45 HD1 TYR 4 HD1 TYR 4 -5.858 7.446 -1.201 46 HD2 TYR 4 HD2 TYR 4 -1.703 7.242 -0.061 47 HE1 TYR 4 HE1 TYR 4 -5.693 9.915 -1.347 48 HE2 TYR 4 HE2 TYR 4 -1.503 9.680 -0.452 49 HH TYR 4 HH TYR 4 -2.640 11.661 -0.746 50 QB TYR 4 QB TYR 4 -3.631 5.294 -0.999 51 QR TYR 4 QR TYR 4 -3.689 8.571 -0.765 52 H ASN 5 HN ASN 5 -6.798 4.194 -0.685 53 HA ASN 5 HA ASN 5 -5.811 1.395 -0.785 54 1HB ASN 5 2HB ASN 5 -7.673 0.390 0.183 55 2HB ASN 5 3HB ASN 5 -7.093 1.591 1.329 56 1HD2 ASN 5 2HD2 ASN 5 -10.062 3.713 0.736 57 2HD2 ASN 5 1HD2 ASN 5 -8.316 3.926 0.793 58 QB ASN 5 QB ASN 5 -7.383 0.991 0.756 59 QD2 ASN 5 QD2 ASN 5 -9.189 3.820 0.765 60 H HIS 6 HN HIS 6 -6.255 3.555 -2.765 61 HA HIS 6 HA HIS 6 -8.539 2.646 -4.360 62 1HB HIS 6 2HB HIS 6 -7.636 4.167 -6.125 63 2HB HIS 6 3HB HIS 6 -8.186 4.884 -4.629 64 HD1 HIS 6 HD1 HIS 6 -5.566 5.508 -6.992 65 HD2 HIS 6 HD2 HIS 6 -6.081 5.560 -2.829 66 HE1 HIS 6 HE1 HIS 6 -3.696 7.064 -5.999 67 HE2 HIS 6 HE2 HIS 6 -4.072 7.056 -3.487 68 QB HIS 6 QB HIS 6 -7.911 4.526 -5.377 69 H GLN 7 HN GLN 7 -8.431 1.568 -6.378 70 HA GLN 7 HA GLN 7 -5.972 -0.019 -6.929 71 1HB GLN 7 2HB GLN 7 -7.978 -1.343 -6.420 72 2HB GLN 7 3HB GLN 7 -8.875 -0.512 -7.700 73 1HG GLN 7 2HG GLN 7 -7.366 -1.543 -9.390 74 2HG GLN 7 3HG GLN 7 -6.461 -2.360 -8.103 75 1HE2 GLN 7 2HE2 GLN 7 -8.988 -4.877 -7.683 76 2HE2 GLN 7 1HE2 GLN 7 -7.505 -4.257 -7.005 77 QB GLN 7 QB GLN 7 -8.427 -0.928 -7.060 78 QG GLN 7 QG GLN 7 -6.913 -1.951 -8.747 79 QE2 GLN 7 QE2 GLN 7 -8.246 -4.567 -7.344 80 H SER 8 HN SER 8 -5.590 -0.264 -9.334 81 HA SER 8 HA SER 8 -5.538 2.223 -10.696 82 1HB SER 8 2HB SER 8 -5.058 0.660 -12.733 83 2HB SER 8 3HB SER 8 -3.903 0.822 -11.428 84 HG SER 8 HG SER 8 -5.955 -1.149 -11.675 85 QB SER 8 QB SER 8 -4.481 0.741 -12.081 86 H THR 9 HN THR 9 -7.892 2.774 -10.527 87 HA THR 9 HA THR 9 -9.376 1.849 -12.931 88 HB THR 9 HB THR 9 -10.656 1.787 -10.157 89 HG1 THR 9 1HG THR 9 -9.256 -0.156 -11.599 90 1HG2 THR 9 1HG2 THR 9 -11.546 0.636 -12.843 91 2HG2 THR 9 2HG2 THR 9 -12.394 0.471 -11.290 92 3HG2 THR 9 3HG2 THR 9 -12.244 2.065 -12.046 93 QG2 THR 9 QG2 THR 9 -12.061 1.057 -12.059 94 H THR 10 HN THR 10 -9.220 4.030 -10.108 95 HA THR 10 HA THR 10 -10.516 6.235 -11.524 96 HB THR 10 HB THR 10 -12.434 6.012 -9.613 97 HG1 THR 10 1HG THR 10 -11.706 4.089 -8.735 98 1HG2 THR 10 2HG2 THR 10 -12.780 6.140 -12.086 99 2HG2 THR 10 3HG2 THR 10 -12.653 4.368 -12.142 100 3HG2 THR 10 1HG2 THR 10 -13.933 5.126 -11.193 101 QG2 THR 10 QG2 THR 10 -13.122 5.211 -11.807 102 NH1 ARG 11 NH2 ARG 11 -13.664 13.806 -5.819 103 NH2 ARG 11 NH1 ARG 11 -11.796 15.132 -5.459 104 H ARG 11 HN ARG 11 -11.336 7.818 -9.730 105 HA ARG 11 HA ARG 11 -9.262 9.112 -8.607 106 1HB ARG 11 2HB ARG 11 -11.645 9.876 -8.940 107 2HB ARG 11 3HB ARG 11 -12.078 9.037 -7.439 108 1HG ARG 11 2HG ARG 11 -10.495 10.514 -6.189 109 2HG ARG 11 3HG ARG 11 -10.040 11.292 -7.726 110 1HD ARG 11 2HD ARG 11 -12.481 11.957 -7.981 111 2HD ARG 11 3HD ARG 11 -12.751 11.288 -6.351 112 HE ARG 11 HE ARG 11 -10.564 13.212 -6.494 113 1HH1 ARG 11 2HH2 ARG 11 -14.068 12.952 -6.172 114 2HH1 ARG 11 1HH2 ARG 11 -14.276 14.498 -5.410 115 1HH2 ARG 11 2HH1 ARG 11 -10.801 15.290 -5.535 116 2HH2 ARG 11 1HH1 ARG 11 -12.363 15.864 -5.055 117 QB ARG 11 QB ARG 11 -11.862 9.457 -8.189 118 QG ARG 11 QG ARG 11 -10.268 10.903 -6.957 119 QD ARG 11 QD ARG 11 -12.616 11.622 -7.166 120 QH1 ARG 11 QH2 ARG 11 -14.172 13.725 -5.791 121 QH2 ARG 11 QH1 ARG 11 -11.582 15.577 -5.295 122 H ALA 12 HN ALA 12 -8.385 9.428 -6.554 123 HA ALA 12 HA ALA 12 -7.785 7.093 -5.121 124 1HB ALA 12 3HB ALA 12 -6.279 9.021 -5.273 125 2HB ALA 12 1HB ALA 12 -7.416 10.004 -4.318 126 3HB ALA 12 2HB ALA 12 -6.604 8.615 -3.569 127 QB ALA 12 QB ALA 12 -6.766 9.213 -4.387 128 H THR 13 HN THR 13 -8.255 6.374 -3.044 129 HA THR 13 HA THR 13 -10.413 7.607 -1.471 130 HB THR 13 HB THR 13 -11.278 5.235 -1.175 131 HG1 THR 13 1HG THR 13 -10.740 3.792 -2.885 132 1HG2 THR 13 2HG2 THR 13 -12.402 6.950 -2.676 133 2HG2 THR 13 3HG2 THR 13 -11.504 6.272 -4.045 134 3HG2 THR 13 1HG2 THR 13 -12.673 5.272 -3.173 135 QG2 THR 13 QG2 THR 13 -12.193 6.165 -3.298 136 H THR 14 HN THR 14 -10.124 7.197 0.753 137 HA THR 14 HA THR 14 -7.594 5.861 1.580 138 HB THR 14 HB THR 14 -7.495 7.615 3.366 139 HG1 THR 14 1HG THR 14 -9.762 8.262 3.017 140 1HG2 THR 14 3HG2 THR 14 -7.335 8.556 0.468 141 2HG2 THR 14 1HG2 THR 14 -6.717 9.483 1.835 142 3HG2 THR 14 2HG2 THR 14 -6.017 7.892 1.481 143 QG2 THR 14 QG2 THR 14 -6.690 8.644 1.261 144 H LYS 15 HN LYS 15 -7.640 4.827 3.603 145 HA LYS 15 HA LYS 15 -10.236 4.671 5.005 146 1HB LYS 15 2HB LYS 15 -9.935 2.302 5.340 147 2HB LYS 15 3HB LYS 15 -10.121 2.644 3.620 148 1HG LYS 15 2HG LYS 15 -7.626 2.481 3.376 149 2HG LYS 15 3HG LYS 15 -7.477 2.042 5.071 150 1HD LYS 15 2HD LYS 15 -9.005 0.494 2.926 151 2HD LYS 15 3HD LYS 15 -7.408 0.072 3.538 152 1HE LYS 15 2HE LYS 15 -10.053 0.007 5.073 153 2HE LYS 15 3HE LYS 15 -9.126 -1.374 4.493 154 1HZ LYS 15 2HZ LYS 15 -7.344 -0.728 6.064 155 2HZ LYS 15 3HZ LYS 15 -8.275 0.499 6.613 156 3HZ LYS 15 1HZ LYS 15 -8.766 -1.041 6.810 157 QB LYS 15 QB LYS 15 -10.028 2.473 4.480 158 QG LYS 15 QG LYS 15 -7.552 2.261 4.223 159 QD LYS 15 QD LYS 15 -8.207 0.283 3.232 160 QE LYS 15 QE LYS 15 -9.589 -0.683 4.783 161 QZ LYS 15 QZ LYS 15 -8.128 -0.423 6.496 162 H SER 16 HN SER 16 -9.864 3.853 7.218 163 HA SER 16 HA SER 16 -7.270 4.736 8.278 164 1HB SER 16 2HB SER 16 -9.388 5.312 9.495 165 2HB SER 16 3HB SER 16 -9.578 3.586 9.871 166 HG SER 16 HG SER 16 -7.188 5.016 10.429 167 QB SER 16 QB SER 16 -9.483 4.449 9.683 168 H CYS 17 HN CYS 17 -6.064 3.245 9.715 169 HA CYS 17 HA CYS 17 -6.705 0.441 9.703 170 1HB CYS 17 2HB CYS 17 -4.948 1.220 7.675 171 2HB CYS 17 3HB CYS 17 -4.019 0.358 8.916 172 QB CYS 17 QB CYS 17 -4.484 0.789 8.295 173 H GLU 20 HN GLU 20 -5.370 -0.709 11.173 174 HA GLU 20 HA GLU 20 -4.592 0.719 13.533 175 1HB GLU 20 2HB GLU 20 -3.869 -1.625 14.224 176 2HB GLU 20 3HB GLU 20 -5.575 -1.354 13.872 177 1HG GLU 20 2HG GLU 20 -3.881 -2.465 11.625 178 2HG GLU 20 3HG GLU 20 -4.311 -3.498 12.979 179 QB GLU 20 QB GLU 20 -4.722 -1.490 14.048 180 QG GLU 20 QG GLU 20 -4.096 -2.981 12.302 181 H GLU 21 HN GLU 21 -2.709 -0.906 10.942 182 HA GLU 21 HA GLU 21 -0.187 -0.785 12.169 183 1HB GLU 21 2HB GLU 21 -0.923 -0.527 9.230 184 2HB GLU 21 3HB GLU 21 0.714 -0.724 9.827 185 1HG GLU 21 2HG GLU 21 -1.121 -2.797 10.888 186 2HG GLU 21 3HG GLU 21 -0.879 -2.849 9.141 187 QB GLU 21 QB GLU 21 -0.105 -0.625 9.529 188 QG GLU 21 QG GLU 21 -1.000 -2.823 10.014 189 H ASN 22 HN ASN 22 1.613 0.578 11.713 190 HA ASN 22 HA ASN 22 0.983 3.461 11.641 191 1HB ASN 22 2HB ASN 22 3.241 3.875 12.130 192 2HB ASN 22 3HB ASN 22 2.787 2.501 13.142 193 1HD2 ASN 22 2HD2 ASN 22 5.059 0.270 11.480 194 2HD2 ASN 22 1HD2 ASN 22 3.782 0.413 12.669 195 QB ASN 22 QB ASN 22 3.014 3.188 12.636 196 QD2 ASN 22 QD2 ASN 22 4.421 0.341 12.074 197 H SER 23 HN SER 23 2.142 0.911 9.472 198 HA SER 23 HA SER 23 3.131 2.855 7.530 199 1HB SER 23 2HB SER 23 3.259 -0.143 7.220 200 2HB SER 23 3HB SER 23 4.391 1.090 6.665 201 HG SER 23 HG SER 23 4.691 1.459 9.070 202 QB SER 23 QB SER 23 3.825 0.473 6.943 203 H CYS 24 HN CYS 24 2.777 2.388 5.203 204 HA CYS 24 HA CYS 24 0.151 1.206 4.515 205 1HB CYS 24 2HB CYS 24 1.121 3.858 3.400 206 2HB CYS 24 3HB CYS 24 -0.427 3.051 3.142 207 QB CYS 24 QB CYS 24 0.347 3.454 3.271 208 OH TYR 25 OH TYR 25 -1.685 -5.200 0.506 209 H TYR 25 HN TYR 25 0.160 0.536 2.193 210 HA TYR 25 HA TYR 25 2.762 0.750 0.852 211 1HB TYR 25 2HB TYR 25 3.212 -1.534 0.732 212 2HB TYR 25 3HB TYR 25 2.699 -1.327 2.398 213 HD1 TYR 25 HD2 TYR 25 0.247 -1.916 2.996 214 HD2 TYR 25 HD1 TYR 25 2.117 -3.041 -0.713 215 HE1 TYR 25 HE2 TYR 25 -1.480 -3.650 2.646 216 HE2 TYR 25 HE1 TYR 25 0.535 -4.895 -0.946 217 HH TYR 25 HH TYR 25 -2.276 -5.292 1.258 218 QB TYR 25 QB TYR 25 2.955 -1.430 1.565 219 QR TYR 25 QR TYR 25 0.355 -3.375 0.996 220 H LYS 26 HN LYS 26 2.892 -0.080 -1.260 221 HA LYS 26 HA LYS 26 0.399 0.163 -2.840 222 1HB LYS 26 2HB LYS 26 2.253 2.162 -2.401 223 2HB LYS 26 3HB LYS 26 2.955 1.429 -3.825 224 1HG LYS 26 2HG LYS 26 0.010 2.128 -3.754 225 2HG LYS 26 3HG LYS 26 1.150 3.424 -3.836 226 1HD LYS 26 2HD LYS 26 1.043 1.098 -5.809 227 2HD LYS 26 3HD LYS 26 0.165 2.615 -6.007 228 1HE LYS 26 2HE LYS 26 3.197 2.293 -5.989 229 2HE LYS 26 3HE LYS 26 2.171 2.676 -7.368 230 1HZ LYS 26 2HZ LYS 26 1.529 4.753 -6.145 231 2HZ LYS 26 3HZ LYS 26 2.592 4.486 -5.042 232 3HZ LYS 26 1HZ LYS 26 3.116 4.700 -6.593 233 QB LYS 26 QB LYS 26 2.604 1.796 -3.113 234 QG LYS 26 QG LYS 26 0.580 2.776 -3.795 235 QD LYS 26 QD LYS 26 0.604 1.857 -5.908 236 QE LYS 26 QE LYS 26 2.684 2.484 -6.679 237 QZ LYS 26 QZ LYS 26 2.412 4.646 -5.927 238 H LYS 27 HN LYS 27 0.266 -1.561 -4.249 239 HA LYS 27 HA LYS 27 2.720 -3.112 -4.914 240 1HB LYS 27 2HB LYS 27 1.588 -5.103 -4.677 241 2HB LYS 27 3HB LYS 27 0.975 -4.178 -3.306 242 1HG LYS 27 2HG LYS 27 -0.955 -3.556 -5.030 243 2HG LYS 27 3HG LYS 27 -0.352 -4.962 -5.902 244 1HD LYS 27 2HD LYS 27 -2.158 -5.782 -4.646 245 2HD LYS 27 3HD LYS 27 -0.723 -6.334 -3.792 246 1HE LYS 27 2HE LYS 27 -1.315 -5.240 -1.924 247 2HE LYS 27 3HE LYS 27 -1.535 -3.699 -2.769 248 1HZ LYS 27 1HZ LYS 27 -3.801 -4.786 -3.377 249 2HZ LYS 27 2HZ LYS 27 -3.512 -5.775 -2.142 250 3HZ LYS 27 3HZ LYS 27 -3.566 -4.140 -1.883 251 QB LYS 27 QB LYS 27 1.282 -4.641 -3.991 252 QG LYS 27 QG LYS 27 -0.653 -4.259 -5.466 253 QD LYS 27 QD LYS 27 -1.441 -6.058 -4.219 254 QE LYS 27 QE LYS 27 -1.425 -4.469 -2.347 255 QZ LYS 27 QZ LYS 27 -3.626 -4.900 -2.467 256 OH TYR 28 OH TYR 28 7.199 0.318 -6.511 257 H TYR 28 HN TYR 28 3.014 -3.424 -7.234 258 HA TYR 28 HA TYR 28 0.784 -2.729 -8.997 259 1HB TYR 28 2HB TYR 28 2.387 -1.066 -10.065 260 2HB TYR 28 3HB TYR 28 1.521 -0.565 -8.624 261 HD1 TYR 28 HD1 TYR 28 2.735 -0.437 -6.405 262 HD2 TYR 28 HD2 TYR 28 4.813 -1.135 -10.115 263 HE1 TYR 28 HE1 TYR 28 4.874 0.149 -5.314 264 HE2 TYR 28 HE2 TYR 28 6.932 -0.422 -9.053 265 HH TYR 28 HH TYR 28 7.957 0.312 -7.100 266 QB TYR 28 QB TYR 28 1.954 -0.816 -9.345 267 QR TYR 28 QR TYR 28 4.839 -0.461 -7.722 268 CH2 TRP 29 CH2 TRP 29 -2.862 -6.144 -8.963 269 H TRP 29 HN TRP 29 0.965 -3.598 -11.053 270 HA TRP 29 HA TRP 29 3.489 -4.815 -11.916 271 1HB TRP 29 2HB TRP 29 2.590 -7.004 -12.116 272 2HB TRP 29 3HB TRP 29 2.485 -6.508 -10.442 273 HD1 TRP 29 HD1 TRP 29 0.549 -8.071 -13.113 274 HE1 TRP 29 HE1 TRP 29 -1.882 -8.406 -12.479 275 HE3 TRP 29 HE3 TRP 29 0.380 -5.102 -8.920 276 HZ2 TRP 29 HZ2 TRP 29 -3.694 -7.538 -10.392 277 HZ3 TRP 29 HZ3 TRP 29 -1.762 -4.759 -7.740 278 HH2 TRP 29 HH2 TRP 29 -3.783 -6.032 -8.409 279 QB TRP 29 QB TRP 29 2.538 -6.756 -11.279 280 NH1 ARG 30 NH2 ARG 30 5.282 -1.075 -13.774 281 NH2 ARG 30 NH1 ARG 30 5.023 0.702 -15.239 282 H ARG 30 HN ARG 30 2.951 -5.994 -14.178 283 HA ARG 30 HA ARG 30 0.987 -4.364 -15.688 284 1HB ARG 30 2HB ARG 30 3.683 -5.527 -16.424 285 2HB ARG 30 3HB ARG 30 2.442 -5.235 -17.595 286 1HG ARG 30 2HG ARG 30 3.824 -3.341 -17.727 287 2HG ARG 30 3HG ARG 30 2.327 -2.827 -16.943 288 1HD ARG 30 2HD ARG 30 3.495 -2.957 -14.733 289 2HD ARG 30 3HD ARG 30 4.993 -3.426 -15.575 290 HE ARG 30 HE ARG 30 4.118 -1.065 -16.784 291 1HH1 ARG 30 2HH2 ARG 30 5.172 -2.059 -13.581 292 2HH1 ARG 30 1HH2 ARG 30 5.683 -0.480 -13.065 293 1HH2 ARG 30 2HH1 ARG 30 4.723 1.071 -16.131 294 2HH2 ARG 30 1HH1 ARG 30 5.412 1.345 -14.567 295 QB ARG 30 QB ARG 30 3.062 -5.381 -17.009 296 QG ARG 30 QG ARG 30 3.076 -3.084 -17.335 297 QD ARG 30 QD ARG 30 4.244 -3.192 -15.154 298 QH1 ARG 30 QH2 ARG 30 5.428 -1.269 -13.323 299 QH2 ARG 30 QH1 ARG 30 5.068 1.208 -15.349 300 H ASP 31 HN ASP 31 -0.178 -5.440 -17.170 301 HA ASP 31 HA ASP 31 -0.097 -8.179 -17.762 302 1HB ASP 31 2HB ASP 31 -0.979 -8.384 -15.389 303 2HB ASP 31 3HB ASP 31 -2.395 -7.446 -15.879 304 QB ASP 31 QB ASP 31 -1.687 -7.915 -15.634 305 H HIS 32 HN HIS 32 -3.170 -8.056 -18.146 306 HA HIS 32 HA HIS 32 -3.198 -6.527 -20.610 307 1HB HIS 32 2HB HIS 32 -4.373 -8.658 -20.270 308 2HB HIS 32 3HB HIS 32 -5.364 -7.929 -18.999 309 HD1 HIS 32 HD1 HIS 32 -7.718 -7.462 -19.938 310 HD2 HIS 32 HD2 HIS 32 -4.633 -7.208 -22.808 311 HE1 HIS 32 HE1 HIS 32 -8.854 -6.963 -22.195 312 HE2 HIS 32 HE2 HIS 32 -6.964 -6.803 -23.929 313 QB HIS 32 QB HIS 32 -4.869 -8.293 -19.635 314 NH1 ARG 33 NH2 ARG 33 -10.391 -1.306 -18.850 315 NH2 ARG 33 NH1 ARG 33 -9.935 -0.542 -16.710 316 H ARG 33 HN ARG 33 -4.851 -4.942 -20.960 317 HA ARG 33 HA ARG 33 -5.932 -2.982 -20.698 318 1HB ARG 33 2HB ARG 33 -6.381 -4.065 -17.925 319 2HB ARG 33 3HB ARG 33 -6.624 -2.342 -18.208 320 1HG ARG 33 2HG ARG 33 -8.205 -2.755 -19.987 321 2HG ARG 33 3HG ARG 33 -7.882 -4.493 -19.945 322 1HD ARG 33 2HD ARG 33 -10.005 -4.015 -18.776 323 2HD ARG 33 3HD ARG 33 -8.799 -4.667 -17.680 324 HE ARG 33 HE ARG 33 -8.786 -2.760 -16.457 325 1HH1 ARG 33 2HH2 ARG 33 -10.300 -2.025 -19.551 326 2HH1 ARG 33 1HH2 ARG 33 -10.886 -0.457 -19.087 327 1HH2 ARG 33 2HH1 ARG 33 -9.523 -0.673 -15.797 328 2HH2 ARG 33 1HH1 ARG 33 -10.415 0.327 -16.893 329 QB ARG 33 QB ARG 33 -6.502 -3.204 -18.066 330 QG ARG 33 QG ARG 33 -8.043 -3.624 -19.966 331 QD ARG 33 QD ARG 33 -9.402 -4.341 -18.228 332 QH1 ARG 33 QH2 ARG 33 -10.593 -1.241 -19.319 333 QH2 ARG 33 QH1 ARG 33 -9.969 -0.173 -16.345 334 H GLY 34 HN GLY 34 -3.137 -3.543 -18.607 335 1HA GLY 34 1HA GLY 34 -1.497 -1.537 -19.429 336 2HA GLY 34 2HA GLY 34 -2.611 -0.669 -18.360 337 QA GLY 34 QA GLY 34 -2.054 -1.103 -18.895 338 H THR 35 HN THR 35 -0.868 -0.263 -16.994 339 HA THR 35 HA THR 35 0.150 -2.510 -15.396 340 HB THR 35 HB THR 35 1.631 -0.615 -15.990 341 HG1 THR 35 1HG THR 35 1.412 -1.942 -13.719 342 1HG2 THR 35 1HG2 THR 35 -0.006 1.254 -15.557 343 2HG2 THR 35 2HG2 THR 35 0.169 0.908 -13.828 344 3HG2 THR 35 3HG2 THR 35 1.572 1.442 -14.757 345 QG2 THR 35 QG2 THR 35 0.578 1.201 -14.714 346 H ILE 36 HN ILE 36 -0.778 -3.189 -13.547 347 HA ILE 36 HA ILE 36 -3.303 -1.886 -12.718 348 HB ILE 36 HB ILE 36 -2.143 -4.557 -11.883 349 1HG1 ILE 36 2HG1 ILE 36 -2.517 -4.721 -14.263 350 2HG1 ILE 36 3HG1 ILE 36 -3.739 -5.639 -13.396 351 1HG2 ILE 36 3HG2 ILE 36 -4.956 -3.413 -11.596 352 2HG2 ILE 36 1HG2 ILE 36 -4.469 -5.052 -11.167 353 3HG2 ILE 36 2HG2 ILE 36 -3.786 -3.671 -10.293 354 1HD1 ILE 36 2HD1 ILE 36 -4.174 -2.870 -14.616 355 2HD1 ILE 36 3HD1 ILE 36 -4.693 -4.413 -15.302 356 3HD1 ILE 36 1HD1 ILE 36 -5.406 -3.850 -13.785 357 QG1 ILE 36 QG1 ILE 36 -3.128 -5.180 -13.830 358 QG2 ILE 36 QG2 ILE 36 -4.403 -4.045 -11.019 359 QD1 ILE 36 QD1 ILE 36 -4.758 -3.711 -14.568 360 H ILE 37 HN ILE 37 -3.392 -0.851 -10.709 361 HA ILE 37 HA ILE 37 -0.991 -0.974 -8.942 362 HB ILE 37 HB ILE 37 -2.864 1.403 -9.519 363 1HG1 ILE 37 2HG1 ILE 37 -0.469 2.495 -9.740 364 2HG1 ILE 37 3HG1 ILE 37 0.119 0.852 -9.989 365 1HG2 ILE 37 1HG2 ILE 37 -0.691 0.964 -7.425 366 2HG2 ILE 37 2HG2 ILE 37 -1.457 2.532 -7.765 367 3HG2 ILE 37 3HG2 ILE 37 -2.413 1.212 -7.097 368 1HD1 ILE 37 3HD1 ILE 37 -2.018 2.260 -11.645 369 2HD1 ILE 37 1HD1 ILE 37 -0.297 2.151 -12.047 370 3HD1 ILE 37 2HD1 ILE 37 -1.281 0.672 -11.997 371 QG1 ILE 37 QG1 ILE 37 -0.175 1.674 -9.865 372 QG2 ILE 37 QG2 ILE 37 -1.520 1.569 -7.429 373 QD1 ILE 37 QD1 ILE 37 -1.198 1.694 -11.896 374 H GLU 38 HN GLU 38 -1.475 -1.438 -6.812 375 HA GLU 38 HA GLU 38 -4.177 -0.985 -5.844 376 1HB GLU 38 2HB GLU 38 -3.660 -3.576 -6.650 377 2HB GLU 38 3HB GLU 38 -3.076 -3.619 -4.992 378 1HG GLU 38 2HG GLU 38 -5.290 -2.861 -4.167 379 2HG GLU 38 3HG GLU 38 -5.844 -2.696 -5.837 380 QB GLU 38 QB GLU 38 -3.368 -3.598 -5.821 381 QG GLU 38 QG GLU 38 -5.567 -2.779 -5.002 382 NH1 ARG 39 NH2 ARG 39 -3.642 3.052 -5.788 383 NH2 ARG 39 NH1 ARG 39 -2.008 4.627 -5.998 384 H ARG 39 HN ARG 39 -4.050 -1.666 -3.362 385 HA ARG 39 HA ARG 39 -1.527 -0.669 -2.168 386 1HB ARG 39 2HB ARG 39 -4.260 0.663 -2.362 387 2HB ARG 39 3HB ARG 39 -3.210 1.030 -0.980 388 1HG ARG 39 2HG ARG 39 -1.519 1.884 -2.305 389 2HG ARG 39 3HG ARG 39 -2.264 1.301 -3.821 390 1HD ARG 39 2HD ARG 39 -4.292 2.765 -3.227 391 2HD ARG 39 3HD ARG 39 -3.248 3.421 -1.944 392 HE ARG 39 HE ARG 39 -1.791 4.296 -3.415 393 1HH1 ARG 39 2HH2 ARG 39 -4.185 2.396 -5.225 394 2HH1 ARG 39 1HH2 ARG 39 -3.730 2.968 -6.790 395 1HH2 ARG 39 2HH1 ARG 39 -1.229 5.156 -5.595 396 2HH2 ARG 39 1HH1 ARG 39 -2.064 4.597 -7.005 397 QB ARG 39 QB ARG 39 -3.735 0.846 -1.671 398 QG ARG 39 QG ARG 39 -1.892 1.592 -3.063 399 QD ARG 39 QD ARG 39 -3.770 3.093 -2.585 400 QH1 ARG 39 QH2 ARG 39 -3.958 2.682 -6.007 401 QH2 ARG 39 QH1 ARG 39 -1.646 4.876 -6.300 402 H GLY 40 HN GLY 40 -1.822 -0.507 0.251 403 1HA GLY 40 1HA GLY 40 -4.266 -1.073 1.345 404 2HA GLY 40 2HA GLY 40 -3.333 -2.564 1.589 405 QA GLY 40 QA GLY 40 -3.800 -1.818 1.467 406 H CYS 41 HN CYS 41 -3.729 -1.715 3.914 407 HA CYS 41 HA CYS 41 -1.924 0.404 4.812 408 1HB CYS 41 2HB CYS 41 -3.236 0.313 6.760 409 2HB CYS 41 3HB CYS 41 -4.394 0.049 5.469 410 QB CYS 41 QB CYS 41 -3.815 0.181 6.115 411 H GLY 42 HN GLY 42 -0.448 -0.152 6.659 412 1HA GLY 42 1HA GLY 42 1.015 -1.527 7.791 413 2HA GLY 42 2HA GLY 42 0.270 -2.972 7.069 414 QA GLY 42 QA GLY 42 0.643 -2.249 7.430 415 H CYS 43 HN CYS 43 2.652 -3.482 6.965 416 HA CYS 43 HA CYS 43 3.648 -2.764 4.231 417 1HB CYS 43 2HB CYS 43 4.937 -1.402 5.819 418 2HB CYS 43 3HB CYS 43 5.410 -2.870 6.685 419 QB CYS 43 QB CYS 43 5.173 -2.136 6.252 420 HA PRO 44 HA PRO 44 3.656 -7.358 4.947 421 1HB PRO 44 2HB PRO 44 1.766 -8.161 3.178 422 2HB PRO 44 3HB PRO 44 1.300 -7.449 4.753 423 1HG PRO 44 2HG PRO 44 1.544 -6.001 2.090 424 2HG PRO 44 3HG PRO 44 0.127 -6.031 3.185 425 1HD PRO 44 2HD PRO 44 2.015 -4.036 3.259 426 2HD PRO 44 3HD PRO 44 1.194 -4.618 4.743 427 QB PRO 44 QB PRO 44 1.533 -7.805 3.966 428 QG PRO 44 QG PRO 44 0.836 -6.016 2.638 429 QD PRO 44 QD PRO 44 1.605 -4.327 4.001 430 H LYS 45 HN LYS 45 4.050 -8.989 3.069 431 HA LYS 45 HA LYS 45 5.797 -7.737 1.003 432 1HB LYS 45 2HB LYS 45 6.903 -9.099 2.577 433 2HB LYS 45 3HB LYS 45 5.821 -10.483 2.304 434 1HG LYS 45 2HG LYS 45 6.733 -10.731 0.036 435 2HG LYS 45 3HG LYS 45 7.754 -9.295 0.252 436 1HD LYS 45 2HD LYS 45 7.894 -11.902 1.842 437 2HD LYS 45 3HD LYS 45 8.951 -11.445 0.496 438 1HE LYS 45 2HE LYS 45 9.661 -9.400 1.865 439 2HE LYS 45 3HE LYS 45 8.780 -10.093 3.238 440 1HZ LYS 45 3HZ LYS 45 10.204 -12.022 3.098 441 2HZ LYS 45 1HZ LYS 45 11.050 -11.349 1.855 442 3HZ LYS 45 2HZ LYS 45 11.069 -10.649 3.340 443 QB LYS 45 QB LYS 45 6.362 -9.791 2.441 444 QG LYS 45 QG LYS 45 7.244 -10.013 0.144 445 QD LYS 45 QD LYS 45 8.422 -11.674 1.169 446 QE LYS 45 QE LYS 45 9.221 -9.747 2.552 447 QZ LYS 45 QZ LYS 45 10.774 -11.340 2.764 448 H VAL 46 HN VAL 46 5.882 -8.870 -1.007 449 HA VAL 46 HA VAL 46 3.241 -9.930 -1.958 450 HB VAL 46 HB VAL 46 3.613 -8.764 -4.080 451 1HG1 VAL 46 3HG1 VAL 46 2.270 -7.674 -2.322 452 2HG1 VAL 46 1HG1 VAL 46 3.721 -6.844 -1.722 453 3HG1 VAL 46 2HG1 VAL 46 3.113 -6.508 -3.357 454 1HG2 VAL 46 1HG2 VAL 46 6.142 -8.642 -3.944 455 2HG2 VAL 46 2HG2 VAL 46 5.341 -7.154 -4.430 456 3HG2 VAL 46 3HG2 VAL 46 5.949 -7.332 -2.766 457 QG1 VAL 46 QG1 VAL 46 3.035 -7.009 -2.467 458 QG2 VAL 46 QG2 VAL 46 5.811 -7.709 -3.713 459 QQG VAL 46 QQG VAL 46 4.423 -7.359 -3.090 460 H LYS 47 HN LYS 47 3.665 -10.847 -4.313 461 HA LYS 47 HA LYS 47 5.781 -12.908 -4.099 462 1HB LYS 47 2HB LYS 47 3.155 -12.644 -5.446 463 2HB LYS 47 3HB LYS 47 4.316 -13.387 -6.443 464 1HG LYS 47 2HG LYS 47 3.136 -15.093 -5.209 465 2HG LYS 47 3HG LYS 47 4.803 -15.061 -4.620 466 1HD LYS 47 2HD LYS 47 4.086 -13.690 -2.662 467 2HD LYS 47 3HD LYS 47 2.420 -13.690 -3.279 468 1HE LYS 47 2HE LYS 47 2.341 -16.171 -3.055 469 2HE LYS 47 3HE LYS 47 4.027 -16.183 -2.506 470 1HZ LYS 47 3HZ LYS 47 3.334 -14.880 -0.596 471 2HZ LYS 47 1HZ LYS 47 1.766 -14.937 -1.089 472 3HZ LYS 47 2HZ LYS 47 2.548 -16.319 -0.668 473 QB LYS 47 QB LYS 47 3.735 -13.016 -5.945 474 QG LYS 47 QG LYS 47 3.970 -15.077 -4.914 475 QD LYS 47 QD LYS 47 3.253 -13.690 -2.970 476 QE LYS 47 QE LYS 47 3.184 -16.177 -2.781 477 QZ LYS 47 QZ LYS 47 2.549 -15.378 -0.784 478 HA PRO 48 HA PRO 48 8.431 -10.964 -6.844 479 1HB PRO 48 2HB PRO 48 9.480 -12.894 -8.468 480 2HB PRO 48 3HB PRO 48 9.699 -12.896 -6.696 481 1HG PRO 48 2HG PRO 48 7.702 -14.469 -8.318 482 2HG PRO 48 3HG PRO 48 8.732 -15.055 -6.983 483 1HD PRO 48 2HD PRO 48 6.109 -14.306 -6.724 484 2HD PRO 48 3HD PRO 48 7.223 -14.138 -5.361 485 QB PRO 48 QB PRO 48 9.590 -12.895 -7.582 486 QG PRO 48 QG PRO 48 8.217 -14.762 -7.650 487 QD PRO 48 QD PRO 48 6.666 -14.222 -6.042 488 H GLY 49 HN GLY 49 8.946 -10.281 -9.121 489 1HA GLY 49 1HA GLY 49 8.337 -9.446 -11.135 490 2HA GLY 49 2HA GLY 49 7.191 -10.780 -11.272 491 QA GLY 49 QA GLY 49 7.764 -10.113 -11.204 492 H VAL 50 HN VAL 50 6.733 -8.848 -8.444 493 HA VAL 50 HA VAL 50 4.732 -7.044 -9.717 494 HB VAL 50 HB VAL 50 4.490 -8.711 -7.169 495 1HG1 VAL 50 1HG1 VAL 50 2.662 -6.503 -8.203 496 2HG1 VAL 50 2HG1 VAL 50 2.243 -7.661 -6.926 497 3HG1 VAL 50 3HG1 VAL 50 3.573 -6.524 -6.680 498 1HG2 VAL 50 2HG2 VAL 50 2.880 -8.699 -9.761 499 2HG2 VAL 50 3HG2 VAL 50 3.943 -9.994 -9.181 500 3HG2 VAL 50 1HG2 VAL 50 2.458 -9.616 -8.302 501 QG1 VAL 50 QG1 VAL 50 2.826 -6.896 -7.270 502 QG2 VAL 50 QG2 VAL 50 3.093 -9.436 -9.081 503 QQG VAL 50 QQG VAL 50 2.960 -8.166 -8.175 504 H GLY 51 HN GLY 51 5.303 -4.933 -9.250 505 1HA GLY 51 1HA GLY 51 7.540 -4.467 -7.556 506 2HA GLY 51 2HA GLY 51 6.647 -3.205 -8.368 507 QA GLY 51 QA GLY 51 7.094 -3.836 -7.962 508 H ILE 52 HN ILE 52 7.413 -2.892 -5.860 509 HA ILE 52 HA ILE 52 4.972 -2.746 -4.260 510 HB ILE 52 HB ILE 52 5.518 -5.016 -3.844 511 1HG1 ILE 52 2HG1 ILE 52 6.108 -5.093 -1.465 512 2HG1 ILE 52 3HG1 ILE 52 6.573 -3.406 -1.467 513 1HG2 ILE 52 2HG2 ILE 52 8.385 -4.161 -3.251 514 2HG2 ILE 52 3HG2 ILE 52 7.729 -5.785 -3.005 515 3HG2 ILE 52 1HG2 ILE 52 7.834 -5.133 -4.636 516 1HD1 ILE 52 3HD1 ILE 52 3.792 -4.455 -2.201 517 2HD1 ILE 52 1HD1 ILE 52 4.287 -3.980 -0.562 518 3HD1 ILE 52 2HD1 ILE 52 4.236 -2.775 -1.849 519 QG1 ILE 52 QG1 ILE 52 6.341 -4.250 -1.466 520 QG2 ILE 52 QG2 ILE 52 7.983 -5.026 -3.630 521 QD1 ILE 52 QD1 ILE 52 4.105 -3.736 -1.537 522 H HIS 53 HN HIS 53 5.129 -1.261 -2.636 523 HA HIS 53 HA HIS 53 7.711 -0.481 -1.588 524 1HB HIS 53 2HB HIS 53 7.280 1.041 -3.645 525 2HB HIS 53 3HB HIS 53 5.948 1.734 -2.734 526 HD1 HIS 53 HD1 HIS 53 6.650 3.647 -1.025 527 HD2 HIS 53 HD2 HIS 53 9.793 1.106 -2.253 528 HE1 HIS 53 HE1 HIS 53 8.787 4.537 0.082 529 HE2 HIS 53 HE2 HIS 53 10.694 2.997 -0.679 530 QB HIS 53 QB HIS 53 6.614 1.388 -3.189 531 H CYS 54 HN CYS 54 7.441 0.251 0.600 532 HA CYS 54 HA CYS 54 4.753 1.055 1.419 533 1HB CYS 54 2HB CYS 54 4.700 -0.343 3.217 534 2HB CYS 54 3HB CYS 54 5.452 -1.405 2.046 535 QB CYS 54 QB CYS 54 5.076 -0.874 2.632 536 H CYS 55 HN CYS 55 4.847 2.160 3.552 537 HA CYS 55 HA CYS 55 7.293 3.539 4.265 538 1HB CYS 55 2HB CYS 55 6.275 5.805 3.621 539 2HB CYS 55 3HB CYS 55 7.026 4.831 2.369 540 QB CYS 55 QB CYS 55 6.650 5.318 2.995 541 H GLN 56 HN GLN 56 6.926 5.026 5.974 542 HA GLN 56 HA GLN 56 4.902 3.861 7.765 543 1HB GLN 56 2HB GLN 56 6.310 4.590 9.610 544 2HB GLN 56 3HB GLN 56 7.096 3.460 8.515 545 1HG GLN 56 2HG GLN 56 7.503 6.473 8.301 546 2HG GLN 56 3HG GLN 56 8.445 5.454 9.396 547 1HE2 GLN 56 2HE2 GLN 56 9.634 5.608 5.589 548 2HE2 GLN 56 1HE2 GLN 56 8.498 6.757 6.275 549 QB GLN 56 QB GLN 56 6.703 4.025 9.063 550 QG GLN 56 QG GLN 56 7.974 5.963 8.849 551 QE2 GLN 56 QE2 GLN 56 9.066 6.183 5.932 552 H SER 57 HN SER 57 5.024 6.606 6.062 553 HA SER 57 HA SER 57 3.904 8.466 8.044 554 1HB SER 57 2HB SER 57 3.639 9.672 5.602 555 2HB SER 57 3HB SER 57 5.119 9.704 6.570 556 HG SER 57 HG SER 57 4.563 7.793 4.554 557 QB SER 57 QB SER 57 4.379 9.688 6.086 558 H ASP 58 HN ASP 58 1.684 9.447 7.684 559 HA ASP 58 HA ASP 58 -0.309 7.431 6.986 560 1HB ASP 58 2HB ASP 58 -1.873 9.213 7.556 561 2HB ASP 58 3HB ASP 58 -0.623 9.198 8.809 562 QB ASP 58 QB ASP 58 -1.248 9.205 8.182 563 H LYS 59 HN LYS 59 -1.701 7.640 5.255 564 HA LYS 59 HA LYS 59 -2.170 7.827 3.011 565 1HB LYS 59 2HB LYS 59 -1.669 10.787 3.480 566 2HB LYS 59 3HB LYS 59 -2.905 10.021 2.465 567 1HG LYS 59 2HG LYS 59 -3.908 9.084 4.644 568 2HG LYS 59 3HG LYS 59 -2.715 10.058 5.508 569 1HD LYS 59 2HD LYS 59 -4.558 11.370 5.642 570 2HD LYS 59 3HD LYS 59 -3.615 12.113 4.346 571 1HE LYS 59 2HE LYS 59 -5.078 11.081 2.644 572 2HE LYS 59 3HE LYS 59 -5.905 10.128 3.895 573 1HZ LYS 59 1HZ LYS 59 -6.733 12.177 4.829 574 2HZ LYS 59 2HZ LYS 59 -6.026 13.052 3.627 575 3HZ LYS 59 3HZ LYS 59 -7.225 11.979 3.276 576 QB LYS 59 QB LYS 59 -2.287 10.404 2.973 577 QG LYS 59 QG LYS 59 -3.311 9.571 5.076 578 QD LYS 59 QD LYS 59 -4.087 11.742 4.994 579 QE LYS 59 QE LYS 59 -5.491 10.604 3.270 580 QZ LYS 59 QZ LYS 59 -6.661 12.402 3.911 581 H CYS 60 HN CYS 60 0.523 7.136 3.328 582 HA CYS 60 HA CYS 60 2.089 8.869 1.525 583 1HB CYS 60 2HB CYS 60 3.981 7.857 2.440 584 2HB CYS 60 3HB CYS 60 2.826 8.068 3.765 585 QB CYS 60 QB CYS 60 3.403 7.963 3.103 586 H ASN 61 HN ASN 61 0.475 5.741 1.482 587 HA ASN 61 HA ASN 61 2.001 4.747 -0.784 588 1HB ASN 61 2HB ASN 61 0.544 2.848 -0.687 589 2HB ASN 61 3HB ASN 61 1.194 3.210 0.919 590 1HD2 ASN 61 2HD2 ASN 61 -2.609 2.501 0.892 591 2HD2 ASN 61 1HD2 ASN 61 -1.209 1.667 0.213 592 QB ASN 61 QB ASN 61 0.869 3.029 0.116 593 QD2 ASN 61 QD2 ASN 61 -1.909 2.084 0.553 594 OH TYR 62 OH TYR 62 -4.333 11.304 -5.930 595 H TYR 62 HN TYR 62 1.212 7.067 -1.740 596 HA TYR 62 HA TYR 62 -1.125 6.602 -3.517 597 1HB TYR 62 2HB TYR 62 0.100 8.975 -2.715 598 2HB TYR 62 3HB TYR 62 0.874 8.632 -4.261 599 HD1 TYR 62 HD1 TYR 62 -2.602 8.347 -2.951 600 HD2 TYR 62 HD2 TYR 62 0.000 9.929 -5.979 601 HE1 TYR 62 HE1 TYR 62 -4.467 9.726 -3.825 602 HE2 TYR 62 HE2 TYR 62 -1.895 11.199 -6.941 603 HH TYR 62 HH TYR 62 -5.048 11.404 -5.301 604 QB TYR 62 QB TYR 62 0.487 8.803 -3.488 605 QR TYR 62 QR TYR 62 -2.241 9.800 -4.924 Start of MODEL 12 Raw file had 605 H/Q atoms Start of MODEL 12 1 NH1 ARG 1 NH2 ARG 1 0.633 8.888 10.479 2 NH2 ARG 1 NH1 ARG 1 2.789 8.202 10.059 3 H ARG 1 HN ARG 1 -4.034 4.812 12.911 4 HA ARG 1 HA ARG 1 -3.241 6.426 11.230 5 1HB ARG 1 2HB ARG 1 -1.874 4.193 12.076 6 2HB ARG 1 3HB ARG 1 -1.729 4.084 10.329 7 1HG ARG 1 2HG ARG 1 -1.186 6.721 11.830 8 2HG ARG 1 3HG ARG 1 -0.005 5.458 11.784 9 1HD ARG 1 2HD ARG 1 -0.438 5.455 9.158 10 2HD ARG 1 3HD ARG 1 -1.026 7.070 9.430 11 HE ARG 1 HE ARG 1 1.651 5.919 9.704 12 1HH1 ARG 1 2HH2 ARG 1 -0.299 8.625 10.739 13 2HH1 ARG 1 1HH2 ARG 1 0.744 9.841 10.100 14 1HH2 ARG 1 2HH1 ARG 1 3.449 7.578 9.592 15 2HH2 ARG 1 1HH1 ARG 1 3.133 9.103 10.354 16 QB ARG 1 QB ARG 1 -1.801 4.139 11.202 17 QG ARG 1 QG ARG 1 -0.595 6.090 11.807 18 QD ARG 1 QD ARG 1 -0.732 6.263 9.294 19 QH1 ARG 1 QH2 ARG 1 0.223 9.233 10.420 20 QH2 ARG 1 QH1 ARG 1 3.291 8.340 9.973 21 H ILE 2 HN ILE 2 -3.397 7.115 9.040 22 HA ILE 2 HA ILE 2 -5.598 5.686 7.691 23 HB ILE 2 HB ILE 2 -4.584 8.504 7.307 24 1HG1 ILE 2 2HG1 ILE 2 -5.259 8.386 9.610 25 2HG1 ILE 2 3HG1 ILE 2 -6.499 9.228 8.695 26 1HG2 ILE 2 2HG2 ILE 2 -7.190 7.145 6.496 27 2HG2 ILE 2 3HG2 ILE 2 -6.861 8.886 6.374 28 3HG2 ILE 2 1HG2 ILE 2 -5.912 7.739 5.423 29 1HD1 ILE 2 1HD1 ILE 2 -7.866 7.090 8.683 30 2HD1 ILE 2 2HD1 ILE 2 -6.637 6.372 9.751 31 3HD1 ILE 2 3HD1 ILE 2 -7.566 7.776 10.285 32 QG1 ILE 2 QG1 ILE 2 -5.879 8.807 9.153 33 QG2 ILE 2 QG2 ILE 2 -6.655 7.923 6.098 34 QD1 ILE 2 QD1 ILE 2 -7.356 7.080 9.573 35 H CYS 3 HN CYS 3 -5.489 4.904 5.616 36 HA CYS 3 HA CYS 3 -3.066 5.467 3.982 37 1HB CYS 3 2HB CYS 3 -4.116 2.690 4.678 38 2HB CYS 3 3HB CYS 3 -2.896 3.043 3.465 39 QB CYS 3 QB CYS 3 -3.506 2.866 4.072 40 OH TYR 4 OH TYR 4 -5.378 11.400 -0.580 41 H TYR 4 HN TYR 4 -3.370 5.130 1.771 42 HA TYR 4 HA TYR 4 -6.133 5.414 0.853 43 1HB TYR 4 2HB TYR 4 -3.441 5.571 -0.491 44 2HB TYR 4 3HB TYR 4 -4.908 5.397 -1.403 45 HD1 TYR 4 HD1 TYR 4 -6.807 7.134 -1.113 46 HD2 TYR 4 HD2 TYR 4 -2.776 7.759 0.261 47 HE1 TYR 4 HE1 TYR 4 -7.183 9.557 -1.165 48 HE2 TYR 4 HE2 TYR 4 -3.094 10.209 -0.008 49 HH TYR 4 HH TYR 4 -6.095 11.642 -1.173 50 QB TYR 4 QB TYR 4 -4.174 5.484 -0.947 51 QR TYR 4 QR TYR 4 -4.965 8.665 -0.506 52 H ASN 5 HN ASN 5 -7.140 4.010 -0.540 53 HA ASN 5 HA ASN 5 -6.075 1.346 -1.129 54 1HB ASN 5 2HB ASN 5 -7.722 0.080 -0.075 55 2HB ASN 5 3HB ASN 5 -6.960 1.090 1.147 56 1HD2 ASN 5 2HD2 ASN 5 -10.067 3.117 1.471 57 2HD2 ASN 5 1HD2 ASN 5 -8.378 3.471 1.130 58 QB ASN 5 QB ASN 5 -7.341 0.585 0.536 59 QD2 ASN 5 QD2 ASN 5 -9.222 3.294 1.300 60 H HIS 6 HN HIS 6 -6.370 3.111 -2.976 61 HA HIS 6 HA HIS 6 -8.736 2.228 -4.558 62 1HB HIS 6 2HB HIS 6 -8.276 4.178 -6.041 63 2HB HIS 6 3HB HIS 6 -8.861 4.549 -4.438 64 HD1 HIS 6 HD1 HIS 6 -6.346 5.823 -6.759 65 HD2 HIS 6 HD2 HIS 6 -6.849 5.310 -2.614 66 HE1 HIS 6 HE1 HIS 6 -4.665 7.470 -5.564 67 HE2 HIS 6 HE2 HIS 6 -4.944 7.065 -3.099 68 QB HIS 6 QB HIS 6 -8.569 4.364 -5.239 69 H GLN 7 HN GLN 7 -8.243 1.591 -6.737 70 HA GLN 7 HA GLN 7 -5.546 0.424 -7.041 71 1HB GLN 7 2HB GLN 7 -8.105 0.255 -8.685 72 2HB GLN 7 3HB GLN 7 -6.601 -0.599 -9.066 73 1HG GLN 7 2HG GLN 7 -6.649 -1.746 -6.916 74 2HG GLN 7 3HG GLN 7 -8.175 -0.978 -6.476 75 1HE2 GLN 7 2HE2 GLN 7 -10.068 -3.030 -8.816 76 2HE2 GLN 7 1HE2 GLN 7 -10.074 -1.410 -8.133 77 QB GLN 7 QB GLN 7 -7.353 -0.172 -8.875 78 QG GLN 7 QG GLN 7 -7.412 -1.362 -6.696 79 QE2 GLN 7 QE2 GLN 7 -10.071 -2.220 -8.474 80 H SER 8 HN SER 8 -4.734 0.603 -9.433 81 HA SER 8 HA SER 8 -4.203 3.134 -10.454 82 1HB SER 8 2HB SER 8 -4.399 1.569 -12.718 83 2HB SER 8 3HB SER 8 -3.024 1.516 -11.621 84 HG SER 8 HG SER 8 -5.353 -0.117 -11.509 85 QB SER 8 QB SER 8 -3.711 1.543 -12.170 86 H THR 9 HN THR 9 -5.492 4.701 -11.088 87 HA THR 9 HA THR 9 -7.150 5.903 -11.925 88 HB THR 9 HB THR 9 -7.790 3.690 -13.891 89 HG1 THR 9 1HG THR 9 -5.604 3.732 -13.878 90 1HG2 THR 9 3HG2 THR 9 -7.509 6.722 -14.198 91 2HG2 THR 9 1HG2 THR 9 -7.943 5.572 -15.472 92 3HG2 THR 9 2HG2 THR 9 -9.052 5.844 -14.120 93 QG2 THR 9 QG2 THR 9 -8.168 6.046 -14.597 94 H THR 10 HN THR 10 -7.915 4.710 -9.619 95 HA THR 10 HA THR 10 -10.854 4.608 -10.110 96 HB THR 10 HB THR 10 -11.128 2.997 -8.281 97 HG1 THR 10 1HG THR 10 -8.296 2.996 -8.355 98 1HG2 THR 10 1HG2 THR 10 -11.041 2.166 -10.621 99 2HG2 THR 10 2HG2 THR 10 -9.302 1.875 -10.463 100 3HG2 THR 10 3HG2 THR 10 -10.442 0.978 -9.448 101 QG2 THR 10 QG2 THR 10 -10.262 1.673 -10.177 102 NH1 ARG 11 NH2 ARG 11 -17.479 7.219 -3.934 103 NH2 ARG 11 NH1 ARG 11 -16.445 5.412 -2.917 104 H ARG 11 HN ARG 11 -12.110 5.414 -8.394 105 HA ARG 11 HA ARG 11 -11.484 7.924 -7.532 106 1HB ARG 11 2HB ARG 11 -13.741 6.874 -7.559 107 2HB ARG 11 3HB ARG 11 -13.300 5.912 -6.138 108 1HG ARG 11 2HG ARG 11 -12.986 8.087 -4.852 109 2HG ARG 11 3HG ARG 11 -13.492 8.956 -6.308 110 1HD ARG 11 2HD ARG 11 -15.358 8.794 -4.820 111 2HD ARG 11 3HD ARG 11 -15.687 7.754 -6.225 112 HE ARG 11 HE ARG 11 -14.463 6.125 -4.292 113 1HH1 ARG 11 2HH2 ARG 11 -17.440 7.989 -4.584 114 2HH1 ARG 11 1HH2 ARG 11 -18.344 7.045 -3.444 115 1HH2 ARG 11 2HH1 ARG 11 -15.639 4.819 -2.782 116 2HH2 ARG 11 1HH1 ARG 11 -17.287 5.193 -2.401 117 QB ARG 11 QB ARG 11 -13.521 6.393 -6.849 118 QG ARG 11 QG ARG 11 -13.239 8.521 -5.580 119 QD ARG 11 QD ARG 11 -15.523 8.274 -5.523 120 QH1 ARG 11 QH2 ARG 11 -17.892 7.517 -4.014 121 QH2 ARG 11 QH1 ARG 11 -16.463 5.006 -2.592 122 H ALA 12 HN ALA 12 -10.219 8.813 -5.955 123 HA ALA 12 HA ALA 12 -8.402 7.221 -4.518 124 1HB ALA 12 1HB ALA 12 -9.089 10.159 -4.225 125 2HB ALA 12 2HB ALA 12 -7.669 9.354 -3.530 126 3HB ALA 12 3HB ALA 12 -7.860 9.450 -5.294 127 QB ALA 12 QB ALA 12 -8.206 9.654 -4.350 128 H THR 13 HN THR 13 -9.453 5.707 -3.066 129 HA THR 13 HA THR 13 -11.154 6.802 -0.928 130 HB THR 13 HB THR 13 -11.311 4.234 -0.562 131 HG1 THR 13 1HG THR 13 -10.209 3.051 -2.023 132 1HG2 THR 13 2HG2 THR 13 -12.314 5.479 -3.170 133 2HG2 THR 13 3HG2 THR 13 -12.962 4.010 -2.412 134 3HG2 THR 13 1HG2 THR 13 -13.120 5.578 -1.589 135 QG2 THR 13 QG2 THR 13 -12.799 5.023 -2.390 136 H THR 14 HN THR 14 -10.653 6.580 1.222 137 HA THR 14 HA THR 14 -7.930 5.637 1.975 138 HB THR 14 HB THR 14 -8.291 7.255 3.938 139 HG1 THR 14 1HG THR 14 -10.545 7.596 3.521 140 1HG2 THR 14 3HG2 THR 14 -6.738 7.755 2.068 141 2HG2 THR 14 1HG2 THR 14 -8.089 8.478 1.157 142 3HG2 THR 14 2HG2 THR 14 -7.548 9.212 2.680 143 QG2 THR 14 QG2 THR 14 -7.458 8.482 1.968 144 H LYS 15 HN LYS 15 -7.771 4.542 4.028 145 HA LYS 15 HA LYS 15 -10.235 4.033 5.509 146 1HB LYS 15 2HB LYS 15 -9.637 1.673 5.742 147 2HB LYS 15 3HB LYS 15 -10.116 2.069 4.096 148 1HG LYS 15 2HG LYS 15 -7.732 2.057 3.413 149 2HG LYS 15 3HG LYS 15 -7.227 1.745 5.066 150 1HD LYS 15 2HD LYS 15 -9.237 -0.244 4.277 151 2HD LYS 15 3HD LYS 15 -8.010 -0.130 3.034 152 1HE LYS 15 2HE LYS 15 -7.309 -1.841 4.552 153 2HE LYS 15 3HE LYS 15 -6.223 -0.465 4.713 154 1HZ LYS 15 2HZ LYS 15 -7.574 0.142 6.738 155 2HZ LYS 15 3HZ LYS 15 -8.379 -1.276 6.559 156 3HZ LYS 15 1HZ LYS 15 -6.757 -1.262 6.859 157 QB LYS 15 QB LYS 15 -9.877 1.871 4.919 158 QG LYS 15 QG LYS 15 -7.480 1.901 4.240 159 QD LYS 15 QD LYS 15 -8.623 -0.187 3.656 160 QE LYS 15 QE LYS 15 -6.766 -1.153 4.633 161 QZ LYS 15 QZ LYS 15 -7.570 -0.798 6.719 162 H SER 16 HN SER 16 -9.632 3.270 7.681 163 HA SER 16 HA SER 16 -6.977 4.283 8.567 164 1HB SER 16 2HB SER 16 -8.994 4.807 9.961 165 2HB SER 16 3HB SER 16 -9.141 3.072 10.298 166 HG SER 16 HG SER 16 -7.765 3.539 11.845 167 QB SER 16 QB SER 16 -9.067 3.939 10.130 168 H CYS 17 HN CYS 17 -5.674 2.825 9.888 169 HA CYS 17 HA CYS 17 -6.216 -0.026 9.885 170 1HB CYS 17 2HB CYS 17 -4.622 0.925 7.881 171 2HB CYS 17 3HB CYS 17 -3.482 0.269 9.075 172 QB CYS 17 QB CYS 17 -4.052 0.597 8.478 173 H GLU 20 HN GLU 20 -4.574 -1.095 11.395 174 HA GLU 20 HA GLU 20 -4.004 0.695 13.628 175 1HB GLU 20 2HB GLU 20 -3.409 -1.284 14.847 176 2HB GLU 20 3HB GLU 20 -4.982 -1.416 14.077 177 1HG GLU 20 2HG GLU 20 -4.242 -3.486 13.593 178 2HG GLU 20 3HG GLU 20 -3.545 -2.721 12.170 179 QB GLU 20 QB GLU 20 -4.195 -1.350 14.462 180 QG GLU 20 QG GLU 20 -3.893 -3.103 12.881 181 H GLU 21 HN GLU 21 -1.995 -1.398 11.464 182 HA GLU 21 HA GLU 21 0.481 -0.602 12.243 183 1HB GLU 21 2HB GLU 21 -0.304 -0.826 9.324 184 2HB GLU 21 3HB GLU 21 1.314 -1.035 10.002 185 1HG GLU 21 2HG GLU 21 0.485 -3.002 11.299 186 2HG GLU 21 3HG GLU 21 -1.047 -2.902 10.394 187 QB GLU 21 QB GLU 21 0.505 -0.930 9.663 188 QG GLU 21 QG GLU 21 -0.281 -2.952 10.847 189 H ASN 22 HN ASN 22 1.975 0.999 11.636 190 HA ASN 22 HA ASN 22 0.714 3.607 11.137 191 1HB ASN 22 2HB ASN 22 2.699 4.607 12.025 192 2HB ASN 22 3HB ASN 22 2.196 3.312 13.119 193 1HD2 ASN 22 2HD2 ASN 22 5.949 3.212 12.088 194 2HD2 ASN 22 1HD2 ASN 22 4.952 4.607 12.469 195 QB ASN 22 QB ASN 22 2.448 3.959 12.572 196 QD2 ASN 22 QD2 ASN 22 5.450 3.909 12.278 197 H SER 23 HN SER 23 2.097 1.273 9.246 198 HA SER 23 HA SER 23 3.341 3.112 7.307 199 1HB SER 23 2HB SER 23 3.127 0.089 7.189 200 2HB SER 23 3HB SER 23 4.319 1.139 6.414 201 HG SER 23 HG SER 23 5.026 -0.006 8.385 202 QB SER 23 QB SER 23 3.723 0.614 6.801 203 H CYS 24 HN CYS 24 2.857 2.691 5.033 204 HA CYS 24 HA CYS 24 0.337 1.312 4.390 205 1HB CYS 24 2HB CYS 24 1.021 3.949 3.083 206 2HB CYS 24 3HB CYS 24 -0.456 2.999 2.937 207 QB CYS 24 QB CYS 24 0.283 3.474 3.010 208 OH TYR 25 OH TYR 25 -1.389 -4.755 0.052 209 H TYR 25 HN TYR 25 0.414 0.838 1.917 210 HA TYR 25 HA TYR 25 3.081 1.155 0.749 211 1HB TYR 25 2HB TYR 25 3.557 -1.159 0.522 212 2HB TYR 25 3HB TYR 25 3.013 -1.001 2.186 213 HD1 TYR 25 HD1 TYR 25 0.623 -1.688 2.767 214 HD2 TYR 25 HD2 TYR 25 2.433 -2.563 -1.035 215 HE1 TYR 25 HE1 TYR 25 -1.141 -3.371 2.312 216 HE2 TYR 25 HE2 TYR 25 0.641 -4.184 -1.516 217 HH TYR 25 HH TYR 25 -1.947 -4.896 0.824 218 QB TYR 25 QB TYR 25 3.285 -1.080 1.354 219 QR TYR 25 QR TYR 25 0.639 -2.951 0.632 220 H LYS 26 HN LYS 26 3.240 0.413 -1.479 221 HA LYS 26 HA LYS 26 0.621 0.079 -2.871 222 1HB LYS 26 2HB LYS 26 2.861 1.975 -3.393 223 2HB LYS 26 3HB LYS 26 2.441 0.970 -4.788 224 1HG LYS 26 2HG LYS 26 0.071 1.547 -4.566 225 2HG LYS 26 3HG LYS 26 0.450 2.677 -3.251 226 1HD LYS 26 2HD LYS 26 1.484 2.790 -6.142 227 2HD LYS 26 3HD LYS 26 0.138 3.752 -5.529 228 1HE LYS 26 2HE LYS 26 2.940 3.915 -4.378 229 2HE LYS 26 3HE LYS 26 2.396 4.940 -5.703 230 1HZ LYS 26 2HZ LYS 26 0.847 4.826 -3.228 231 2HZ LYS 26 3HZ LYS 26 2.146 5.866 -3.379 232 3HZ LYS 26 1HZ LYS 26 0.850 5.958 -4.366 233 QB LYS 26 QB LYS 26 2.651 1.472 -4.090 234 QG LYS 26 QG LYS 26 0.261 2.112 -3.909 235 QD LYS 26 QD LYS 26 0.811 3.271 -5.835 236 QE LYS 26 QE LYS 26 2.668 4.427 -5.040 237 QZ LYS 26 QZ LYS 26 1.281 5.550 -3.658 238 H LYS 27 HN LYS 27 0.608 -1.650 -4.285 239 HA LYS 27 HA LYS 27 3.164 -2.981 -4.897 240 1HB LYS 27 2HB LYS 27 2.005 -5.121 -4.988 241 2HB LYS 27 3HB LYS 27 2.057 -4.459 -3.349 242 1HG LYS 27 2HG LYS 27 -0.328 -3.713 -3.615 243 2HG LYS 27 3HG LYS 27 -0.323 -4.415 -5.249 244 1HD LYS 27 2HD LYS 27 0.117 -6.633 -4.387 245 2HD LYS 27 3HD LYS 27 0.253 -6.048 -2.732 246 1HE LYS 27 2HE LYS 27 -2.296 -6.002 -4.422 247 2HE LYS 27 3HE LYS 27 -1.878 -7.201 -3.193 248 1HZ LYS 27 2HZ LYS 27 -1.837 -5.242 -1.568 249 2HZ LYS 27 3HZ LYS 27 -2.619 -4.387 -2.765 250 3HZ LYS 27 1HZ LYS 27 -3.303 -5.661 -2.209 251 QB LYS 27 QB LYS 27 2.031 -4.790 -4.168 252 QG LYS 27 QG LYS 27 -0.325 -4.064 -4.432 253 QD LYS 27 QD LYS 27 0.185 -6.341 -3.560 254 QE LYS 27 QE LYS 27 -2.087 -6.601 -3.807 255 QZ LYS 27 QZ LYS 27 -2.586 -5.097 -2.181 256 OH TYR 28 OH TYR 28 8.177 -0.306 -8.590 257 H TYR 28 HN TYR 28 3.348 -3.579 -7.163 258 HA TYR 28 HA TYR 28 1.018 -2.974 -8.820 259 1HB TYR 28 2HB TYR 28 2.512 -1.642 -10.261 260 2HB TYR 28 3HB TYR 28 2.080 -0.883 -8.725 261 HD1 TYR 28 HD1 TYR 28 4.908 -3.034 -10.139 262 HD2 TYR 28 HD2 TYR 28 3.745 0.592 -8.168 263 HE1 TYR 28 HE1 TYR 28 7.267 -2.481 -9.812 264 HE2 TYR 28 HE2 TYR 28 6.157 1.220 -7.974 265 HH TYR 28 HH TYR 28 8.781 -0.942 -8.978 266 QB TYR 28 QB TYR 28 2.296 -1.262 -9.493 267 QR TYR 28 QR TYR 28 5.519 -0.926 -9.023 268 CH2 TRP 29 CH2 TRP 29 -2.941 -6.166 -8.651 269 H TRP 29 HN TRP 29 1.183 -3.705 -10.980 270 HA TRP 29 HA TRP 29 3.460 -5.432 -11.682 271 1HB TRP 29 2HB TRP 29 1.951 -7.209 -12.484 272 2HB TRP 29 3HB TRP 29 1.983 -7.046 -10.737 273 HD1 TRP 29 HD1 TRP 29 -0.357 -6.993 -13.673 274 HE1 TRP 29 HE1 TRP 29 -2.760 -6.949 -12.879 275 HE3 TRP 29 HE3 TRP 29 0.455 -5.874 -8.728 276 HZ2 TRP 29 HZ2 TRP 29 -4.182 -6.644 -10.354 277 HZ3 TRP 29 HZ3 TRP 29 -1.448 -5.703 -7.166 278 HH2 TRP 29 HH2 TRP 29 -3.770 -6.086 -7.962 279 QB TRP 29 QB TRP 29 1.967 -7.128 -11.610 280 NH1 ARG 30 NH2 ARG 30 6.140 -4.096 -21.158 281 NH2 ARG 30 NH1 ARG 30 4.362 -3.356 -22.459 282 H ARG 30 HN ARG 30 3.603 -5.696 -14.004 283 HA ARG 30 HA ARG 30 2.207 -3.597 -15.552 284 1HB ARG 30 2HB ARG 30 4.507 -3.992 -16.125 285 2HB ARG 30 3HB ARG 30 4.124 -5.694 -16.541 286 1HG ARG 30 2HG ARG 30 2.600 -4.921 -18.316 287 2HG ARG 30 3HG ARG 30 2.858 -3.225 -17.828 288 1HD ARG 30 2HD ARG 30 5.223 -3.428 -18.479 289 2HD ARG 30 3HD ARG 30 4.955 -5.143 -18.888 290 HE ARG 30 HE ARG 30 3.074 -3.492 -20.329 291 1HH1 ARG 30 2HH2 ARG 30 6.490 -4.370 -20.252 292 2HH1 ARG 30 1HH2 ARG 30 6.775 -4.111 -21.942 293 1HH2 ARG 30 2HH1 ARG 30 3.384 -3.095 -22.516 294 2HH2 ARG 30 1HH1 ARG 30 4.934 -3.332 -23.290 295 QB ARG 30 QB ARG 30 4.316 -4.843 -16.333 296 QG ARG 30 QG ARG 30 2.729 -4.073 -18.072 297 QD ARG 30 QD ARG 30 5.089 -4.285 -18.684 298 QH1 ARG 30 QH2 ARG 30 6.632 -4.240 -21.097 299 QH2 ARG 30 QH1 ARG 30 4.159 -3.213 -22.903 300 H ASP 31 HN ASP 31 0.746 -4.068 -17.106 301 HA ASP 31 HA ASP 31 -0.538 -6.783 -16.980 302 1HB ASP 31 2HB ASP 31 -1.677 -4.978 -15.657 303 2HB ASP 31 3HB ASP 31 -2.112 -4.190 -17.188 304 QB ASP 31 QB ASP 31 -1.895 -4.584 -16.422 305 H HIS 32 HN HIS 32 -0.600 -3.731 -18.950 306 HA HIS 32 HA HIS 32 0.373 -5.237 -21.236 307 1HB HIS 32 2HB HIS 32 -1.607 -4.377 -22.675 308 2HB HIS 32 3HB HIS 32 -1.695 -5.883 -21.781 309 HD1 HIS 32 HD1 HIS 32 -3.144 -5.821 -19.374 310 HD2 HIS 32 HD2 HIS 32 -3.804 -2.847 -22.326 311 HE1 HIS 32 HE1 HIS 32 -5.428 -4.850 -18.921 312 HE2 HIS 32 HE2 HIS 32 -5.839 -3.036 -20.691 313 QB HIS 32 QB HIS 32 -1.651 -5.130 -22.228 314 NH1 ARG 33 NH2 ARG 33 1.261 2.651 -22.767 315 NH2 ARG 33 NH1 ARG 33 0.187 4.202 -24.097 316 H ARG 33 HN ARG 33 -1.455 -2.377 -21.904 317 HA ARG 33 HA ARG 33 1.027 -0.840 -22.413 318 1HB ARG 33 2HB ARG 33 -1.804 -0.798 -23.371 319 2HB ARG 33 3HB ARG 33 -1.108 0.787 -23.169 320 1HG ARG 33 2HG ARG 33 0.241 -1.393 -24.785 321 2HG ARG 33 3HG ARG 33 -0.892 -0.221 -25.453 322 1HD ARG 33 2HD ARG 33 1.791 0.478 -24.162 323 2HD ARG 33 3HD ARG 33 1.411 0.449 -25.865 324 HE ARG 33 HE ARG 33 0.033 2.319 -25.736 325 1HH1 ARG 33 2HH2 ARG 33 1.511 1.695 -22.583 326 2HH1 ARG 33 1HH2 ARG 33 1.307 3.303 -21.999 327 1HH2 ARG 33 2HH1 ARG 33 -0.280 4.462 -24.954 328 2HH2 ARG 33 1HH1 ARG 33 0.287 4.904 -23.378 329 QB ARG 33 QB ARG 33 -1.456 -0.005 -23.270 330 QG ARG 33 QG ARG 33 -0.326 -0.807 -25.119 331 QD ARG 33 QD ARG 33 1.601 0.464 -25.013 332 QH1 ARG 33 QH2 ARG 33 1.409 2.499 -22.291 333 QH2 ARG 33 QH1 ARG 33 0.003 4.683 -24.166 334 H GLY 34 HN GLY 34 0.359 -1.517 -19.651 335 1HA GLY 34 1HA GLY 34 0.500 0.968 -18.356 336 2HA GLY 34 2HA GLY 34 -1.192 0.402 -18.336 337 QA GLY 34 QA GLY 34 -0.346 0.685 -18.346 338 H THR 35 HN THR 35 0.034 0.593 -15.993 339 HA THR 35 HA THR 35 0.675 -2.163 -15.164 340 HB THR 35 HB THR 35 2.334 0.171 -14.972 341 HG1 THR 35 1HG THR 35 2.427 -2.339 -13.713 342 1HG2 THR 35 2HG2 THR 35 1.373 -0.651 -12.210 343 2HG2 THR 35 3HG2 THR 35 2.747 0.401 -12.588 344 3HG2 THR 35 1HG2 THR 35 1.106 0.936 -12.981 345 QG2 THR 35 QG2 THR 35 1.742 0.229 -12.593 346 H ILE 36 HN ILE 36 -0.443 -2.883 -13.405 347 HA ILE 36 HA ILE 36 -2.751 -1.216 -12.574 348 HB ILE 36 HB ILE 36 -2.032 -4.103 -12.087 349 1HG1 ILE 36 2HG1 ILE 36 -2.890 -3.637 -14.359 350 2HG1 ILE 36 3HG1 ILE 36 -3.944 -4.691 -13.424 351 1HG2 ILE 36 1HG2 ILE 36 -4.337 -2.476 -10.950 352 2HG2 ILE 36 2HG2 ILE 36 -4.363 -4.239 -11.048 353 3HG2 ILE 36 3HG2 ILE 36 -3.121 -3.425 -10.083 354 1HD1 ILE 36 3HD1 ILE 36 -5.464 -2.762 -12.981 355 2HD1 ILE 36 1HD1 ILE 36 -4.406 -1.724 -13.970 356 3HD1 ILE 36 2HD1 ILE 36 -5.252 -3.089 -14.706 357 QG1 ILE 36 QG1 ILE 36 -3.417 -4.164 -13.891 358 QG2 ILE 36 QG2 ILE 36 -3.940 -3.380 -10.694 359 QD1 ILE 36 QD1 ILE 36 -5.041 -2.525 -13.886 360 H ILE 37 HN ILE 37 -2.765 -0.283 -10.623 361 HA ILE 37 HA ILE 37 -0.464 -0.652 -8.736 362 HB ILE 37 HB ILE 37 -2.299 1.769 -9.065 363 1HG1 ILE 37 2HG1 ILE 37 -0.817 1.663 -11.025 364 2HG1 ILE 37 3HG1 ILE 37 -0.489 3.041 -9.984 365 1HG2 ILE 37 1HG2 ILE 37 0.116 1.267 -7.295 366 2HG2 ILE 37 2HG2 ILE 37 -0.615 2.867 -7.563 367 3HG2 ILE 37 3HG2 ILE 37 -1.544 1.583 -6.785 368 1HD1 ILE 37 3HD1 ILE 37 1.484 1.810 -9.032 369 2HD1 ILE 37 1HD1 ILE 37 1.119 0.478 -10.160 370 3HD1 ILE 37 2HD1 ILE 37 1.585 2.070 -10.780 371 QG1 ILE 37 QG1 ILE 37 -0.653 2.352 -10.505 372 QG2 ILE 37 QG2 ILE 37 -0.681 1.906 -7.214 373 QD1 ILE 37 QD1 ILE 37 1.396 1.453 -9.991 374 H GLU 38 HN GLU 38 -1.088 -1.425 -6.752 375 HA GLU 38 HA GLU 38 -3.926 -1.169 -5.931 376 1HB GLU 38 2HB GLU 38 -2.983 -3.552 -6.781 377 2HB GLU 38 3HB GLU 38 -2.348 -3.590 -5.133 378 1HG GLU 38 2HG GLU 38 -5.256 -3.230 -5.952 379 2HG GLU 38 3HG GLU 38 -4.550 -4.695 -5.274 380 QB GLU 38 QB GLU 38 -2.665 -3.571 -5.957 381 QG GLU 38 QG GLU 38 -4.903 -3.963 -5.613 382 NH1 ARG 39 NH2 ARG 39 -3.726 3.484 -6.604 383 NH2 ARG 39 NH1 ARG 39 -2.427 5.419 -6.689 384 H ARG 39 HN ARG 39 -4.120 -0.911 -3.592 385 HA ARG 39 HA ARG 39 -1.667 0.218 -2.295 386 1HB ARG 39 2HB ARG 39 -4.456 1.439 -2.663 387 2HB ARG 39 3HB ARG 39 -3.162 2.104 -1.647 388 1HG ARG 39 2HG ARG 39 -1.763 2.372 -3.603 389 2HG ARG 39 3HG ARG 39 -3.063 1.728 -4.649 390 1HD ARG 39 2HD ARG 39 -4.577 3.580 -3.782 391 2HD ARG 39 3HD ARG 39 -3.291 4.069 -2.704 392 HE ARG 39 HE ARG 39 -2.473 5.303 -4.259 393 1HH1 ARG 39 2HH2 ARG 39 -4.260 2.833 -6.022 394 2HH1 ARG 39 1HH2 ARG 39 -3.810 3.419 -7.609 395 1HH2 ARG 39 2HH1 ARG 39 -2.099 6.205 -6.106 396 2HH2 ARG 39 1HH1 ARG 39 -2.408 5.489 -7.694 397 QB ARG 39 QB ARG 39 -3.809 1.771 -2.155 398 QG ARG 39 QG ARG 39 -2.413 2.050 -4.126 399 QD ARG 39 QD ARG 39 -3.934 3.824 -3.243 400 QH1 ARG 39 QH2 ARG 39 -4.035 3.126 -6.816 401 QH2 ARG 39 QH1 ARG 39 -2.254 5.847 -6.900 402 H GLY 40 HN GLY 40 -1.580 -0.212 -0.056 403 1HA GLY 40 1HA GLY 40 -4.120 -0.647 1.325 404 2HA GLY 40 2HA GLY 40 -3.072 -2.075 1.266 405 QA GLY 40 QA GLY 40 -3.596 -1.361 1.296 406 H CYS 41 HN CYS 41 -3.650 -1.255 3.674 407 HA CYS 41 HA CYS 41 -1.799 0.695 4.746 408 1HB CYS 41 2HB CYS 41 -2.985 0.403 6.709 409 2HB CYS 41 3HB CYS 41 -4.225 -0.052 5.563 410 QB CYS 41 QB CYS 41 -3.605 0.175 6.136 411 H GLY 42 HN GLY 42 -0.239 0.038 6.488 412 1HA GLY 42 1HA GLY 42 1.068 -1.478 7.641 413 2HA GLY 42 2HA GLY 42 0.232 -2.796 6.789 414 QA GLY 42 QA GLY 42 0.650 -2.137 7.215 415 H CYS 43 HN CYS 43 2.386 -3.783 6.662 416 HA CYS 43 HA CYS 43 3.531 -3.144 3.998 417 1HB CYS 43 2HB CYS 43 4.886 -1.843 5.605 418 2HB CYS 43 3HB CYS 43 5.302 -3.344 6.444 419 QB CYS 43 QB CYS 43 5.094 -2.594 6.024 420 HA PRO 44 HA PRO 44 3.320 -7.719 4.722 421 1HB PRO 44 2HB PRO 44 1.463 -8.439 2.879 422 2HB PRO 44 3HB PRO 44 0.982 -7.658 4.410 423 1HG PRO 44 2HG PRO 44 1.446 -6.301 1.731 424 2HG PRO 44 3HG PRO 44 -0.019 -6.206 2.754 425 1HD PRO 44 2HD PRO 44 1.973 -4.334 2.868 426 2HD PRO 44 3HD PRO 44 1.076 -4.827 4.337 427 QB PRO 44 QB PRO 44 1.222 -8.048 3.645 428 QG PRO 44 QG PRO 44 0.714 -6.254 2.243 429 QD PRO 44 QD PRO 44 1.525 -4.580 3.602 430 H LYS 45 HN LYS 45 3.473 -9.430 2.758 431 HA LYS 45 HA LYS 45 5.437 -8.437 0.746 432 1HB LYS 45 2HB LYS 45 6.246 -10.123 2.322 433 2HB LYS 45 3HB LYS 45 4.945 -11.220 1.877 434 1HG LYS 45 2HG LYS 45 7.078 -11.896 0.950 435 2HG LYS 45 3HG LYS 45 5.949 -11.557 -0.329 436 1HD LYS 45 2HD LYS 45 8.106 -10.706 -0.944 437 2HD LYS 45 3HD LYS 45 7.099 -9.287 -0.648 438 1HE LYS 45 2HE LYS 45 8.100 -9.021 1.614 439 2HE LYS 45 3HE LYS 45 9.051 -10.496 1.374 440 1HZ LYS 45 2HZ LYS 45 10.153 -9.366 -0.464 441 2HZ LYS 45 3HZ LYS 45 9.302 -7.990 -0.153 442 3HZ LYS 45 1HZ LYS 45 10.357 -8.575 0.959 443 QB LYS 45 QB LYS 45 5.596 -10.671 2.099 444 QG LYS 45 QG LYS 45 6.514 -11.726 0.311 445 QD LYS 45 QD LYS 45 7.603 -9.996 -0.796 446 QE LYS 45 QE LYS 45 8.575 -9.758 1.494 447 QZ LYS 45 QZ LYS 45 9.938 -8.644 0.114 448 H VAL 46 HN VAL 46 5.289 -9.866 -1.276 449 HA VAL 46 HA VAL 46 2.540 -10.473 -2.152 450 HB VAL 46 HB VAL 46 2.884 -9.120 -4.224 451 1HG1 VAL 46 3HG1 VAL 46 1.507 -8.246 -2.392 452 2HG1 VAL 46 1HG1 VAL 46 2.934 -7.488 -1.657 453 3HG1 VAL 46 2HG1 VAL 46 2.372 -6.949 -3.246 454 1HG2 VAL 46 1HG2 VAL 46 5.359 -8.908 -4.177 455 2HG2 VAL 46 2HG2 VAL 46 4.555 -7.340 -4.295 456 3HG2 VAL 46 3HG2 VAL 46 5.236 -7.864 -2.746 457 QG1 VAL 46 QG1 VAL 46 2.271 -7.561 -2.432 458 QG2 VAL 46 QG2 VAL 46 5.050 -8.037 -3.739 459 QQG VAL 46 QQG VAL 46 3.661 -7.799 -3.085 460 H LYS 47 HN LYS 47 2.627 -11.404 -4.409 461 HA LYS 47 HA LYS 47 4.455 -13.602 -4.495 462 1HB LYS 47 2HB LYS 47 3.276 -14.188 -6.566 463 2HB LYS 47 3HB LYS 47 2.165 -13.690 -5.325 464 1HG LYS 47 2HG LYS 47 2.005 -11.427 -6.463 465 2HG LYS 47 3HG LYS 47 3.159 -12.013 -7.679 466 1HD LYS 47 2HD LYS 47 1.602 -13.829 -8.308 467 2HD LYS 47 3HD LYS 47 0.429 -13.246 -7.107 468 1HE LYS 47 2HE LYS 47 0.275 -11.069 -8.315 469 2HE LYS 47 3HE LYS 47 1.474 -11.636 -9.496 470 1HZ LYS 47 3HZ LYS 47 -0.084 -13.343 -10.154 471 2HZ LYS 47 1HZ LYS 47 -1.207 -12.785 -9.084 472 3HZ LYS 47 2HZ LYS 47 -0.723 -11.844 -10.340 473 QB LYS 47 QB LYS 47 2.720 -13.939 -5.945 474 QG LYS 47 QG LYS 47 2.582 -11.720 -7.071 475 QD LYS 47 QD LYS 47 1.015 -13.537 -7.708 476 QE LYS 47 QE LYS 47 0.874 -11.352 -8.905 477 QZ LYS 47 QZ LYS 47 -0.672 -12.657 -9.860 478 HA PRO 48 HA PRO 48 7.805 -11.778 -6.671 479 1HB PRO 48 2HB PRO 48 8.749 -13.696 -8.390 480 2HB PRO 48 3HB PRO 48 8.878 -13.819 -6.613 481 1HG PRO 48 2HG PRO 48 6.795 -15.067 -8.404 482 2HG PRO 48 3HG PRO 48 7.720 -15.853 -7.093 483 1HD PRO 48 2HD PRO 48 5.199 -14.919 -6.784 484 2HD PRO 48 3HD PRO 48 6.331 -14.823 -5.424 485 QB PRO 48 QB PRO 48 8.813 -13.757 -7.501 486 QG PRO 48 QG PRO 48 7.258 -15.460 -7.749 487 QD PRO 48 QD PRO 48 5.765 -14.871 -6.104 488 H GLY 49 HN GLY 49 8.554 -10.944 -8.793 489 1HA GLY 49 1HA GLY 49 8.209 -9.854 -10.749 490 2HA GLY 49 2HA GLY 49 7.001 -11.081 -11.143 491 QA GLY 49 QA GLY 49 7.605 -10.468 -10.946 492 H VAL 50 HN VAL 50 6.598 -9.218 -8.206 493 HA VAL 50 HA VAL 50 4.779 -7.220 -9.445 494 HB VAL 50 HB VAL 50 4.202 -8.989 -7.015 495 1HG1 VAL 50 2HG1 VAL 50 3.366 -6.639 -6.737 496 2HG1 VAL 50 3HG1 VAL 50 2.447 -6.853 -8.244 497 3HG1 VAL 50 1HG1 VAL 50 2.082 -7.852 -6.831 498 1HG2 VAL 50 2HG2 VAL 50 2.949 -8.847 -9.789 499 2HG2 VAL 50 3HG2 VAL 50 3.768 -10.232 -9.058 500 3HG2 VAL 50 1HG2 VAL 50 2.219 -9.672 -8.403 501 QG1 VAL 50 QG1 VAL 50 2.631 -7.115 -7.270 502 QG2 VAL 50 QG2 VAL 50 2.979 -9.584 -9.084 503 QQG VAL 50 QQG VAL 50 2.805 -8.349 -8.177 504 H GLY 51 HN GLY 51 5.797 -5.281 -8.894 505 1HA GLY 51 1HA GLY 51 7.747 -5.275 -6.824 506 2HA GLY 51 2HA GLY 51 7.260 -3.833 -7.668 507 QA GLY 51 QA GLY 51 7.503 -4.554 -7.246 508 H ILE 52 HN ILE 52 7.665 -3.769 -5.059 509 HA ILE 52 HA ILE 52 5.097 -2.924 -3.988 510 HB ILE 52 HB ILE 52 4.992 -5.178 -3.222 511 1HG1 ILE 52 2HG1 ILE 52 6.067 -3.676 -0.807 512 2HG1 ILE 52 3HG1 ILE 52 4.575 -3.173 -1.619 513 1HG2 ILE 52 3HG2 ILE 52 7.837 -4.835 -2.160 514 2HG2 ILE 52 1HG2 ILE 52 6.794 -6.224 -1.834 515 3HG2 ILE 52 2HG2 ILE 52 7.318 -5.897 -3.485 516 1HD1 ILE 52 2HD1 ILE 52 5.011 -5.938 -0.450 517 2HD1 ILE 52 3HD1 ILE 52 4.102 -4.609 0.295 518 3HD1 ILE 52 1HD1 ILE 52 3.536 -5.315 -1.227 519 QG1 ILE 52 QG1 ILE 52 5.321 -3.425 -1.213 520 QG2 ILE 52 QG2 ILE 52 7.316 -5.652 -2.493 521 QD1 ILE 52 QD1 ILE 52 4.216 -5.287 -0.461 522 H HIS 53 HN HIS 53 5.304 -1.125 -2.563 523 HA HIS 53 HA HIS 53 7.924 -0.566 -1.423 524 1HB HIS 53 2HB HIS 53 7.367 1.741 -2.089 525 2HB HIS 53 3HB HIS 53 8.017 0.690 -3.366 526 HD1 HIS 53 HD1 HIS 53 6.389 3.520 -3.536 527 HD2 HIS 53 HD2 HIS 53 5.549 -0.392 -4.828 528 HE1 HIS 53 HE1 HIS 53 5.079 3.727 -5.733 529 HE2 HIS 53 HE2 HIS 53 4.492 1.329 -6.433 530 QB HIS 53 QB HIS 53 7.692 1.215 -2.727 531 H CYS 54 HN CYS 54 7.647 -0.094 0.651 532 HA CYS 54 HA CYS 54 4.975 0.619 1.723 533 1HB CYS 54 2HB CYS 54 7.462 -0.398 3.128 534 2HB CYS 54 3HB CYS 54 5.892 -0.062 3.872 535 QB CYS 54 QB CYS 54 6.677 -0.230 3.500 536 H CYS 55 HN CYS 55 4.862 2.420 3.267 537 HA CYS 55 HA CYS 55 7.131 4.212 3.587 538 1HB CYS 55 2HB CYS 55 5.887 6.143 2.637 539 2HB CYS 55 3HB CYS 55 6.417 4.962 1.466 540 QB CYS 55 QB CYS 55 6.152 5.552 2.052 541 H GLN 56 HN GLN 56 6.375 6.114 4.911 542 HA GLN 56 HA GLN 56 4.924 4.801 7.153 543 1HB GLN 56 2HB GLN 56 7.485 4.789 7.000 544 2HB GLN 56 3HB GLN 56 7.416 6.510 7.374 545 1HG GLN 56 2HG GLN 56 7.928 5.335 9.371 546 2HG GLN 56 3HG GLN 56 6.264 5.837 9.595 547 1HE2 GLN 56 2HE2 GLN 56 5.011 2.418 9.238 548 2HE2 GLN 56 1HE2 GLN 56 4.523 4.092 9.037 549 QB GLN 56 QB GLN 56 7.451 5.650 7.187 550 QG GLN 56 QG GLN 56 7.096 5.586 9.483 551 QE2 GLN 56 QE2 GLN 56 4.767 3.255 9.137 552 H SER 57 HN SER 57 4.017 7.250 5.398 553 HA SER 57 HA SER 57 3.246 8.942 7.740 554 1HB SER 57 2HB SER 57 2.979 10.838 6.267 555 2HB SER 57 3HB SER 57 4.647 10.304 6.507 556 HG SER 57 HG SER 57 3.051 10.081 4.221 557 QB SER 57 QB SER 57 3.813 10.571 6.387 558 H ASP 58 HN ASP 58 1.109 9.601 7.869 559 HA ASP 58 HA ASP 58 -0.903 7.802 7.032 560 1HB ASP 58 2HB ASP 58 -2.360 9.944 7.466 561 2HB ASP 58 3HB ASP 58 -1.523 9.201 8.827 562 QB ASP 58 QB ASP 58 -1.942 9.573 8.146 563 H LYS 59 HN LYS 59 -1.926 7.631 5.130 564 HA LYS 59 HA LYS 59 -2.564 7.922 2.987 565 1HB LYS 59 2HB LYS 59 -2.044 10.896 3.433 566 2HB LYS 59 3HB LYS 59 -3.023 10.149 2.184 567 1HG LYS 59 2HG LYS 59 -4.599 9.273 3.852 568 2HG LYS 59 3HG LYS 59 -3.613 9.956 5.156 569 1HD LYS 59 2HD LYS 59 -5.487 11.411 4.738 570 2HD LYS 59 3HD LYS 59 -3.967 12.224 4.331 571 1HE LYS 59 2HE LYS 59 -4.353 11.886 1.928 572 2HE LYS 59 3HE LYS 59 -5.762 10.864 2.254 573 1HZ LYS 59 3HZ LYS 59 -5.537 13.732 2.876 574 2HZ LYS 59 1HZ LYS 59 -6.327 13.082 1.592 575 3HZ LYS 59 2HZ LYS 59 -6.874 12.798 3.118 576 QB LYS 59 QB LYS 59 -2.534 10.523 2.809 577 QG LYS 59 QG LYS 59 -4.106 9.614 4.504 578 QD LYS 59 QD LYS 59 -4.727 11.817 4.535 579 QE LYS 59 QE LYS 59 -5.058 11.375 2.091 580 QZ LYS 59 QZ LYS 59 -6.246 13.204 2.529 581 H CYS 60 HN CYS 60 0.562 7.891 3.723 582 HA CYS 60 HA CYS 60 1.860 9.248 1.647 583 1HB CYS 60 2HB CYS 60 3.784 7.930 2.152 584 2HB CYS 60 3HB CYS 60 2.872 8.185 3.623 585 QB CYS 60 QB CYS 60 3.328 8.057 2.888 586 H ASN 61 HN ASN 61 0.251 6.078 1.524 587 HA ASN 61 HA ASN 61 1.564 5.379 -0.954 588 1HB ASN 61 2HB ASN 61 0.397 3.329 -0.865 589 2HB ASN 61 3HB ASN 61 1.002 3.702 0.746 590 1HD2 ASN 61 2HD2 ASN 61 -2.670 2.516 0.731 591 2HD2 ASN 61 1HD2 ASN 61 -1.154 1.866 0.072 592 QB ASN 61 QB ASN 61 0.699 3.515 -0.059 593 QD2 ASN 61 QD2 ASN 61 -1.912 2.191 0.401 594 OH TYR 62 OH TYR 62 -5.182 12.596 -5.400 595 H TYR 62 HN TYR 62 -0.088 7.840 -1.150 596 HA TYR 62 HA TYR 62 -2.560 7.556 -2.266 597 1HB TYR 62 2HB TYR 62 -1.219 9.711 -1.672 598 2HB TYR 62 3HB TYR 62 -0.497 9.459 -3.285 599 HD1 TYR 62 HD1 TYR 62 -4.104 8.859 -3.088 600 HD2 TYR 62 HD2 TYR 62 -1.006 11.767 -3.788 601 HE1 TYR 62 HE1 TYR 62 -5.701 10.264 -4.342 602 HE2 TYR 62 HE2 TYR 62 -2.623 13.197 -4.986 603 HH TYR 62 HH TYR 62 -4.806 13.412 -5.736 604 QB TYR 62 QB TYR 62 -0.858 9.585 -2.479 605 QR TYR 62 QR TYR 62 -3.359 11.022 -4.051 Start of MODEL 13 Raw file had 605 H/Q atoms Start of MODEL 13 1 NH1 ARG 1 NH2 ARG 1 1.812 8.466 10.327 2 NH2 ARG 1 NH1 ARG 1 2.979 6.546 9.808 3 H ARG 1 HN ARG 1 -3.978 4.711 13.146 4 HA ARG 1 HA ARG 1 -3.543 6.578 11.552 5 1HB ARG 1 2HB ARG 1 -2.204 3.959 11.651 6 2HB ARG 1 3HB ARG 1 -1.979 4.689 10.067 7 1HG ARG 1 2HG ARG 1 -1.589 6.391 12.550 8 2HG ARG 1 3HG ARG 1 -0.340 5.249 12.154 9 1HD ARG 1 2HD ARG 1 -1.288 6.940 9.852 10 2HD ARG 1 3HD ARG 1 -0.512 7.789 11.178 11 HE ARG 1 HE ARG 1 0.808 5.442 9.793 12 1HH1 ARG 1 2HH2 ARG 1 0.924 8.990 10.314 13 2HH1 ARG 1 1HH2 ARG 1 2.659 9.012 10.373 14 1HH2 ARG 1 2HH1 ARG 1 2.941 5.558 9.570 15 2HH2 ARG 1 1HH1 ARG 1 3.855 7.051 9.679 16 QB ARG 1 QB ARG 1 -2.092 4.324 10.859 17 QG ARG 1 QG ARG 1 -0.965 5.820 12.352 18 QD ARG 1 QD ARG 1 -0.900 7.364 10.515 19 QH1 ARG 1 QH2 ARG 1 1.792 9.001 10.344 20 QH2 ARG 1 QH1 ARG 1 3.398 6.305 9.625 21 H ILE 2 HN ILE 2 -3.283 7.037 9.087 22 HA ILE 2 HA ILE 2 -5.528 5.690 7.659 23 HB ILE 2 HB ILE 2 -4.941 8.648 7.629 24 1HG1 ILE 2 2HG1 ILE 2 -6.921 6.896 9.145 25 2HG1 ILE 2 3HG1 ILE 2 -5.853 8.156 9.785 26 1HG2 ILE 2 1HG2 ILE 2 -5.918 7.651 5.511 27 2HG2 ILE 2 2HG2 ILE 2 -7.289 7.081 6.486 28 3HG2 ILE 2 3HG2 ILE 2 -6.974 8.815 6.304 29 1HD1 ILE 2 3HD1 ILE 2 -7.292 9.851 8.609 30 2HD1 ILE 2 1HD1 ILE 2 -8.399 8.519 8.164 31 3HD1 ILE 2 2HD1 ILE 2 -8.122 8.903 9.866 32 QG1 ILE 2 QG1 ILE 2 -6.387 7.526 9.465 33 QG2 ILE 2 QG2 ILE 2 -6.727 7.849 6.101 34 QD1 ILE 2 QD1 ILE 2 -7.938 9.091 8.880 35 H CYS 3 HN CYS 3 -5.198 5.033 5.703 36 HA CYS 3 HA CYS 3 -2.584 5.617 4.376 37 1HB CYS 3 2HB CYS 3 -3.894 2.918 4.864 38 2HB CYS 3 3HB CYS 3 -2.647 3.188 3.655 39 QB CYS 3 QB CYS 3 -3.271 3.053 4.259 40 OH TYR 4 OH TYR 4 -4.798 11.437 -1.052 41 H TYR 4 HN TYR 4 -2.747 5.231 2.060 42 HA TYR 4 HA TYR 4 -5.486 5.646 0.975 43 1HB TYR 4 2HB TYR 4 -2.669 5.774 -0.081 44 2HB TYR 4 3HB TYR 4 -3.957 5.407 -1.175 45 HD1 TYR 4 HD1 TYR 4 -6.111 7.091 -0.962 46 HD2 TYR 4 HD2 TYR 4 -2.079 8.024 0.218 47 HE1 TYR 4 HE1 TYR 4 -6.523 9.485 -1.445 48 HE2 TYR 4 HE2 TYR 4 -2.495 10.414 -0.254 49 HH TYR 4 HH TYR 4 -4.002 11.971 -1.003 50 QB TYR 4 QB TYR 4 -3.313 5.590 -0.628 51 QR TYR 4 QR TYR 4 -4.302 8.754 -0.611 52 H ASN 5 HN ASN 5 -6.444 4.061 -0.368 53 HA ASN 5 HA ASN 5 -5.172 1.373 -0.502 54 1HB ASN 5 2HB ASN 5 -7.077 0.308 0.504 55 2HB ASN 5 3HB ASN 5 -6.511 1.553 1.619 56 1HD2 ASN 5 2HD2 ASN 5 -10.287 1.765 0.173 57 2HD2 ASN 5 1HD2 ASN 5 -9.222 0.403 -0.153 58 QB ASN 5 QB ASN 5 -6.794 0.930 1.061 59 QD2 ASN 5 QD2 ASN 5 -9.754 1.084 0.010 60 H HIS 6 HN HIS 6 -5.724 3.475 -2.493 61 HA HIS 6 HA HIS 6 -8.013 2.573 -4.029 62 1HB HIS 6 2HB HIS 6 -7.173 4.135 -5.785 63 2HB HIS 6 3HB HIS 6 -7.593 4.823 -4.222 64 HD1 HIS 6 HD1 HIS 6 -4.920 5.105 -6.710 65 HD2 HIS 6 HD2 HIS 6 -5.549 5.552 -2.591 66 HE1 HIS 6 HE1 HIS 6 -3.047 6.706 -5.811 67 HE2 HIS 6 HE2 HIS 6 -3.278 6.750 -3.336 68 QB HIS 6 QB HIS 6 -7.383 4.479 -5.003 69 H GLN 7 HN GLN 7 -8.115 1.493 -5.853 70 HA GLN 7 HA GLN 7 -5.811 -0.091 -6.778 71 1HB GLN 7 2HB GLN 7 -7.758 -1.284 -6.012 72 2HB GLN 7 3HB GLN 7 -8.822 -0.392 -7.116 73 1HG GLN 7 2HG GLN 7 -8.018 -1.554 -9.012 74 2HG GLN 7 3HG GLN 7 -6.517 -2.032 -8.206 75 1HE2 GLN 7 2HE2 GLN 7 -9.785 -4.116 -6.838 76 2HE2 GLN 7 1HE2 GLN 7 -9.883 -2.366 -6.956 77 QB GLN 7 QB GLN 7 -8.290 -0.838 -6.564 78 QG GLN 7 QG GLN 7 -7.268 -1.793 -8.609 79 QE2 GLN 7 QE2 GLN 7 -9.834 -3.241 -6.897 80 H SER 8 HN SER 8 -5.684 -0.393 -9.196 81 HA SER 8 HA SER 8 -5.916 1.906 -10.838 82 1HB SER 8 2HB SER 8 -5.858 -0.008 -12.654 83 2HB SER 8 3HB SER 8 -4.462 0.543 -11.738 84 HG SER 8 HG SER 8 -6.114 -1.692 -11.144 85 QB SER 8 QB SER 8 -5.160 0.268 -12.196 86 H THR 9 HN THR 9 -8.193 2.425 -10.008 87 HA THR 9 HA THR 9 -10.254 1.514 -11.930 88 HB THR 9 HB THR 9 -10.662 1.262 -8.916 89 HG1 THR 9 1HG THR 9 -9.754 -0.519 -10.851 90 1HG2 THR 9 2HG2 THR 9 -12.400 0.498 -11.313 91 2HG2 THR 9 3HG2 THR 9 -12.661 -0.099 -9.660 92 3HG2 THR 9 1HG2 THR 9 -12.803 1.628 -10.000 93 QG2 THR 9 QG2 THR 9 -12.621 0.676 -10.324 94 H THR 10 HN THR 10 -9.254 3.819 -12.292 95 HA THR 10 HA THR 10 -9.717 6.081 -12.426 96 HB THR 10 HB THR 10 -11.839 6.735 -12.674 97 HG1 THR 10 1HG THR 10 -12.538 4.809 -10.744 98 1HG2 THR 10 3HG2 THR 10 -11.239 4.869 -14.213 99 2HG2 THR 10 1HG2 THR 10 -12.158 3.759 -13.169 100 3HG2 THR 10 2HG2 THR 10 -12.978 5.106 -13.971 101 QG2 THR 10 QG2 THR 10 -12.125 4.578 -13.784 102 NH1 ARG 11 NH2 ARG 11 -12.363 11.846 -5.176 103 NH2 ARG 11 NH1 ARG 11 -12.658 13.745 -6.478 104 H ARG 11 HN ARG 11 -11.769 7.149 -10.595 105 HA ARG 11 HA ARG 11 -10.167 8.701 -8.932 106 1HB ARG 11 2HB ARG 11 -12.438 9.298 -9.401 107 2HB ARG 11 3HB ARG 11 -13.062 7.847 -8.586 108 1HG ARG 11 2HG ARG 11 -12.364 8.637 -6.430 109 2HG ARG 11 3HG ARG 11 -11.443 9.977 -7.137 110 1HD ARG 11 2HD ARG 11 -14.304 9.937 -7.943 111 2HD ARG 11 3HD ARG 11 -14.116 10.037 -6.205 112 HE ARG 11 HE ARG 11 -13.585 12.097 -8.156 113 1HH1 ARG 11 2HH2 ARG 11 -12.412 10.840 -5.090 114 2HH1 ARG 11 1HH2 ARG 11 -11.977 12.379 -4.412 115 1HH2 ARG 11 2HH1 ARG 11 -12.971 14.186 -7.331 116 2HH2 ARG 11 1HH1 ARG 11 -12.265 14.331 -5.756 117 QB ARG 11 QB ARG 11 -12.750 8.573 -8.994 118 QG ARG 11 QG ARG 11 -11.903 9.307 -6.784 119 QD ARG 11 QD ARG 11 -14.210 9.987 -7.074 120 QH1 ARG 11 QH2 ARG 11 -12.195 11.610 -4.751 121 QH2 ARG 11 QH1 ARG 11 -12.618 14.258 -6.543 122 H ALA 12 HN ALA 12 -9.057 8.409 -7.127 123 HA ALA 12 HA ALA 12 -8.909 5.856 -5.806 124 1HB ALA 12 3HB ALA 12 -7.655 8.593 -5.283 125 2HB ALA 12 1HB ALA 12 -7.210 7.136 -4.392 126 3HB ALA 12 2HB ALA 12 -6.914 7.229 -6.147 127 QB ALA 12 QB ALA 12 -7.260 7.653 -5.274 128 H THR 13 HN THR 13 -9.023 5.592 -3.382 129 HA THR 13 HA THR 13 -10.729 7.461 -1.918 130 HB THR 13 HB THR 13 -12.050 5.583 -1.031 131 HG1 THR 13 1HG THR 13 -11.862 3.551 -2.095 132 1HG2 THR 13 3HG2 THR 13 -12.849 6.813 -3.097 133 2HG2 THR 13 1HG2 THR 13 -12.163 5.502 -4.081 134 3HG2 THR 13 2HG2 THR 13 -13.473 5.159 -2.942 135 QG2 THR 13 QG2 THR 13 -12.828 5.825 -3.374 136 H THR 14 HN THR 14 -10.609 6.872 0.464 137 HA THR 14 HA THR 14 -7.887 5.988 1.263 138 HB THR 14 HB THR 14 -8.535 7.679 3.169 139 HG1 THR 14 1HG THR 14 -10.174 9.064 2.663 140 1HG2 THR 14 2HG2 THR 14 -8.021 8.630 0.320 141 2HG2 THR 14 3HG2 THR 14 -7.822 9.627 1.770 142 3HG2 THR 14 1HG2 THR 14 -6.795 8.194 1.540 143 QG2 THR 14 QG2 THR 14 -7.546 8.817 1.210 144 H LYS 15 HN LYS 15 -7.748 5.113 3.495 145 HA LYS 15 HA LYS 15 -10.211 4.587 4.897 146 1HB LYS 15 2HB LYS 15 -10.047 2.716 3.203 147 2HB LYS 15 3HB LYS 15 -8.571 2.180 4.022 148 1HG LYS 15 2HG LYS 15 -9.705 1.315 5.796 149 2HG LYS 15 3HG LYS 15 -11.017 2.518 5.734 150 1HD LYS 15 2HD LYS 15 -10.730 0.338 3.648 151 2HD LYS 15 3HD LYS 15 -11.619 0.124 5.169 152 1HE LYS 15 2HE LYS 15 -13.056 2.094 4.638 153 2HE LYS 15 3HE LYS 15 -12.237 2.290 3.083 154 1HZ LYS 15 2HZ LYS 15 -13.751 -0.102 3.898 155 2HZ LYS 15 3HZ LYS 15 -14.317 1.098 2.930 156 3HZ LYS 15 1HZ LYS 15 -13.065 0.161 2.423 157 QB LYS 15 QB LYS 15 -9.309 2.448 3.612 158 QG LYS 15 QG LYS 15 -10.361 1.916 5.765 159 QD LYS 15 QD LYS 15 -11.175 0.231 4.409 160 QE LYS 15 QE LYS 15 -12.647 2.192 3.861 161 QZ LYS 15 QZ LYS 15 -13.711 0.385 3.084 162 H SER 16 HN SER 16 -9.618 3.250 6.886 163 HA SER 16 HA SER 16 -7.148 4.415 8.057 164 1HB SER 16 2HB SER 16 -9.278 5.290 9.002 165 2HB SER 16 3HB SER 16 -9.656 3.647 9.571 166 HG SER 16 HG SER 16 -7.176 4.890 10.163 167 QB SER 16 QB SER 16 -9.467 4.469 9.286 168 H CYS 17 HN CYS 17 -6.043 3.044 9.599 169 HA CYS 17 HA CYS 17 -6.713 0.185 9.778 170 1HB CYS 17 2HB CYS 17 -4.647 1.128 8.070 171 2HB CYS 17 3HB CYS 17 -4.079 -0.035 9.285 172 QB CYS 17 QB CYS 17 -4.363 0.546 8.677 173 H GLU 20 HN GLU 20 -5.501 -0.792 11.541 174 HA GLU 20 HA GLU 20 -4.671 0.911 13.697 175 1HB GLU 20 2HB GLU 20 -3.719 -1.249 14.587 176 2HB GLU 20 3HB GLU 20 -5.468 -1.175 14.321 177 1HG GLU 20 2HG GLU 20 -3.675 -2.540 12.282 178 2HG GLU 20 3HG GLU 20 -4.233 -3.334 13.734 179 QB GLU 20 QB GLU 20 -4.593 -1.212 14.454 180 QG GLU 20 QG GLU 20 -3.954 -2.937 13.008 181 H GLU 21 HN GLU 21 -2.874 -1.074 11.305 182 HA GLU 21 HA GLU 21 -0.343 -0.569 12.183 183 1HB GLU 21 2HB GLU 21 -0.947 -0.586 9.222 184 2HB GLU 21 3HB GLU 21 0.507 -1.139 10.045 185 1HG GLU 21 2HG GLU 21 -2.181 -2.568 10.223 186 2HG GLU 21 3HG GLU 21 -0.844 -3.017 9.199 187 QB GLU 21 QB GLU 21 -0.220 -0.862 9.634 188 QG GLU 21 QG GLU 21 -1.512 -2.793 9.711 189 H ASN 22 HN ASN 22 1.239 0.873 11.856 190 HA ASN 22 HA ASN 22 0.405 3.587 11.075 191 1HB ASN 22 2HB ASN 22 2.428 4.340 12.182 192 2HB ASN 22 3HB ASN 22 1.535 3.241 13.239 193 1HD2 ASN 22 2HD2 ASN 22 5.333 2.315 12.225 194 2HD2 ASN 22 1HD2 ASN 22 4.615 3.883 11.903 195 QB ASN 22 QB ASN 22 1.981 3.791 12.710 196 QD2 ASN 22 QD2 ASN 22 4.974 3.099 12.064 197 H SER 23 HN SER 23 2.079 0.913 9.633 198 HA SER 23 HA SER 23 3.488 2.561 7.658 199 1HB SER 23 2HB SER 23 3.700 -0.004 6.820 200 2HB SER 23 3HB SER 23 4.743 0.717 8.046 201 HG SER 23 HG SER 23 3.886 -1.217 8.879 202 QB SER 23 QB SER 23 4.222 0.356 7.433 203 H CYS 24 HN CYS 24 3.103 2.122 5.400 204 HA CYS 24 HA CYS 24 0.439 1.096 4.615 205 1HB CYS 24 2HB CYS 24 1.527 3.698 3.515 206 2HB CYS 24 3HB CYS 24 -0.038 2.939 3.218 207 QB CYS 24 QB CYS 24 0.745 3.318 3.367 208 OH TYR 25 OH TYR 25 -1.589 -5.226 0.608 209 H TYR 25 HN TYR 25 0.448 0.592 2.225 210 HA TYR 25 HA TYR 25 3.078 0.674 0.931 211 1HB TYR 25 2HB TYR 25 3.344 -1.647 0.700 212 2HB TYR 25 3HB TYR 25 2.859 -1.455 2.378 213 HD1 TYR 25 HD2 TYR 25 0.423 -1.947 3.018 214 HD2 TYR 25 HD1 TYR 25 2.097 -2.986 -0.814 215 HE1 TYR 25 HE2 TYR 25 -1.372 -3.628 2.677 216 HE2 TYR 25 HE1 TYR 25 0.340 -4.677 -1.121 217 HH TYR 25 HH TYR 25 -1.305 -5.920 0.013 218 QB TYR 25 QB TYR 25 3.102 -1.551 1.539 219 QR TYR 25 QR TYR 25 0.372 -3.310 0.940 220 H LYS 26 HN LYS 26 3.131 -0.074 -1.257 221 HA LYS 26 HA LYS 26 0.533 -0.118 -2.692 222 1HB LYS 26 2HB LYS 26 1.505 2.140 -2.920 223 2HB LYS 26 3HB LYS 26 3.017 1.451 -3.487 224 1HG LYS 26 2HG LYS 26 0.713 0.428 -5.033 225 2HG LYS 26 3HG LYS 26 0.700 2.167 -5.011 226 1HD LYS 26 2HD LYS 26 3.372 1.021 -5.583 227 2HD LYS 26 3HD LYS 26 2.101 0.546 -6.728 228 1HE LYS 26 2HE LYS 26 1.594 2.806 -7.305 229 2HE LYS 26 3HE LYS 26 2.619 3.441 -6.011 230 1HZ LYS 26 1HZ LYS 26 4.525 2.482 -7.186 231 2HZ LYS 26 2HZ LYS 26 3.545 1.961 -8.399 232 3HZ LYS 26 3HZ LYS 26 3.728 3.570 -8.122 233 QB LYS 26 QB LYS 26 2.261 1.796 -3.204 234 QG LYS 26 QG LYS 26 0.706 1.297 -5.022 235 QD LYS 26 QD LYS 26 2.737 0.783 -6.155 236 QE LYS 26 QE LYS 26 2.107 3.123 -6.658 237 QZ LYS 26 QZ LYS 26 3.933 2.671 -7.902 238 H LYS 27 HN LYS 27 0.409 -1.766 -4.118 239 HA LYS 27 HA LYS 27 2.835 -3.318 -4.861 240 1HB LYS 27 2HB LYS 27 1.356 -5.308 -4.942 241 2HB LYS 27 3HB LYS 27 1.639 -4.645 -3.322 242 1HG LYS 27 2HG LYS 27 -0.562 -3.631 -3.266 243 2HG LYS 27 3HG LYS 27 -0.879 -4.151 -4.926 244 1HD LYS 27 2HD LYS 27 -0.932 -6.509 -4.265 245 2HD LYS 27 3HD LYS 27 -0.173 -6.138 -2.734 246 1HE LYS 27 2HE LYS 27 -2.355 -6.468 -2.025 247 2HE LYS 27 3HE LYS 27 -2.309 -4.713 -2.200 248 1HZ LYS 27 2HZ LYS 27 -3.223 -5.327 -4.555 249 2HZ LYS 27 3HZ LYS 27 -3.744 -6.680 -3.777 250 3HZ LYS 27 1HZ LYS 27 -4.177 -5.170 -3.265 251 QB LYS 27 QB LYS 27 1.498 -4.976 -4.132 252 QG LYS 27 QG LYS 27 -0.720 -3.891 -4.096 253 QD LYS 27 QD LYS 27 -0.552 -6.324 -3.499 254 QE LYS 27 QE LYS 27 -2.332 -5.591 -2.113 255 QZ LYS 27 QZ LYS 27 -3.715 -5.726 -3.866 256 OH TYR 28 OH TYR 28 7.831 -0.378 -6.855 257 H TYR 28 HN TYR 28 3.082 -3.665 -7.105 258 HA TYR 28 HA TYR 28 0.917 -2.777 -8.903 259 1HB TYR 28 2HB TYR 28 2.648 -1.342 -9.997 260 2HB TYR 28 3HB TYR 28 1.959 -0.728 -8.514 261 HD1 TYR 28 HD2 TYR 28 3.448 -1.251 -6.289 262 HD2 TYR 28 HD1 TYR 28 4.980 -1.152 -10.327 263 HE1 TYR 28 HE2 TYR 28 5.590 -0.435 -5.456 264 HE2 TYR 28 HE1 TYR 28 7.221 -0.577 -9.430 265 HH TYR 28 HH TYR 28 7.901 -0.592 -5.914 266 QB TYR 28 QB TYR 28 2.303 -1.035 -9.255 267 QR TYR 28 QR TYR 28 5.310 -0.854 -7.875 268 CH2 TRP 29 CH2 TRP 29 -2.234 -6.507 -7.674 269 H TRP 29 HN TRP 29 0.979 -3.672 -10.960 270 HA TRP 29 HA TRP 29 3.373 -5.131 -11.840 271 1HB TRP 29 2HB TRP 29 2.089 -7.216 -12.182 272 2HB TRP 29 3HB TRP 29 2.351 -6.806 -10.498 273 HD1 TRP 29 HD1 TRP 29 -0.390 -7.417 -13.002 274 HE1 TRP 29 HE1 TRP 29 -2.618 -7.651 -11.793 275 HE3 TRP 29 HE3 TRP 29 1.015 -5.755 -8.353 276 HZ2 TRP 29 HZ2 TRP 29 -3.655 -7.273 -9.108 277 HZ3 TRP 29 HZ3 TRP 29 -0.587 -5.757 -6.502 278 HH2 TRP 29 HH2 TRP 29 -2.940 -6.496 -6.857 279 QB TRP 29 QB TRP 29 2.220 -7.011 -11.340 280 NH1 ARG 30 NH2 ARG 30 6.145 -5.621 -17.494 281 NH2 ARG 30 NH1 ARG 30 7.866 -4.137 -17.038 282 H ARG 30 HN ARG 30 2.820 -6.179 -14.077 283 HA ARG 30 HA ARG 30 1.252 -4.199 -15.663 284 1HB ARG 30 2HB ARG 30 3.838 -5.578 -16.125 285 2HB ARG 30 3HB ARG 30 2.741 -5.529 -17.504 286 1HG ARG 30 2HG ARG 30 2.455 -3.086 -17.178 287 2HG ARG 30 3HG ARG 30 3.716 -3.081 -15.957 288 1HD ARG 30 2HD ARG 30 4.212 -4.173 -18.790 289 2HD ARG 30 3HD ARG 30 4.134 -2.455 -18.489 290 HE ARG 30 HE ARG 30 6.108 -2.396 -17.430 291 1HH1 ARG 30 2HH2 ARG 30 5.178 -5.768 -17.741 292 2HH1 ARG 30 1HH2 ARG 30 6.738 -6.422 -17.335 293 1HH2 ARG 30 2HH1 ARG 30 8.213 -3.191 -16.962 294 2HH2 ARG 30 1HH1 ARG 30 8.515 -4.896 -16.886 295 QB ARG 30 QB ARG 30 3.289 -5.553 -16.814 296 QG ARG 30 QG ARG 30 3.085 -3.083 -16.568 297 QD ARG 30 QD ARG 30 4.173 -3.314 -18.639 298 QH1 ARG 30 QH2 ARG 30 5.958 -6.095 -17.538 299 QH2 ARG 30 QH1 ARG 30 8.364 -4.043 -16.924 300 H ASP 31 HN ASP 31 0.255 -5.031 -17.604 301 HA ASP 31 HA ASP 31 -0.969 -7.725 -17.201 302 1HB ASP 31 2HB ASP 31 -3.063 -6.825 -17.957 303 2HB ASP 31 3HB ASP 31 -2.493 -5.929 -16.549 304 QB ASP 31 QB ASP 31 -2.778 -6.377 -17.253 305 H HIS 32 HN HIS 32 -0.387 -5.233 -19.634 306 HA HIS 32 HA HIS 32 0.733 -6.899 -21.684 307 1HB HIS 32 2HB HIS 32 -1.434 -6.055 -23.161 308 2HB HIS 32 3HB HIS 32 -1.150 -7.664 -22.534 309 HD1 HIS 32 HD1 HIS 32 -3.213 -4.562 -21.188 310 HD2 HIS 32 HD2 HIS 32 -2.907 -8.765 -21.079 311 HE1 HIS 32 HE1 HIS 32 -5.292 -5.391 -20.046 312 HE2 HIS 32 HE2 HIS 32 -5.094 -7.937 -19.905 313 QB HIS 32 QB HIS 32 -1.292 -6.859 -22.847 314 NH1 ARG 33 NH2 ARG 33 -5.552 -2.997 -23.916 315 NH2 ARG 33 NH1 ARG 33 -5.152 -4.583 -25.558 316 H ARG 33 HN ARG 33 -1.445 -4.078 -21.882 317 HA ARG 33 HA ARG 33 0.860 -2.340 -22.651 318 1HB ARG 33 2HB ARG 33 -0.500 -1.194 -24.135 319 2HB ARG 33 3HB ARG 33 -0.939 -2.883 -24.405 320 1HG ARG 33 2HG ARG 33 -2.929 -2.426 -22.773 321 2HG ARG 33 3HG ARG 33 -2.473 -0.720 -22.895 322 1HD ARG 33 2HD ARG 33 -4.098 -0.857 -24.557 323 2HD ARG 33 3HD ARG 33 -2.604 -1.013 -25.451 324 HE ARG 33 HE ARG 33 -3.106 -3.181 -26.021 325 1HH1 ARG 33 2HH2 ARG 33 -5.268 -2.154 -23.438 326 2HH1 ARG 33 1HH2 ARG 33 -6.428 -3.426 -23.658 327 1HH2 ARG 33 2HH1 ARG 33 -4.598 -4.935 -26.326 328 2HH2 ARG 33 1HH1 ARG 33 -6.002 -5.076 -25.321 329 QB ARG 33 QB ARG 33 -0.719 -2.039 -24.270 330 QG ARG 33 QG ARG 33 -2.701 -1.573 -22.834 331 QD ARG 33 QD ARG 33 -3.351 -0.935 -25.004 332 QH1 ARG 33 QH2 ARG 33 -5.848 -2.790 -23.548 333 QH2 ARG 33 QH1 ARG 33 -5.300 -5.005 -25.824 334 H GLY 34 HN GLY 34 -1.158 -3.058 -20.066 335 1HA GLY 34 1HA GLY 34 -1.434 -0.274 -19.105 336 2HA GLY 34 2HA GLY 34 -2.626 -1.567 -18.861 337 QA GLY 34 QA GLY 34 -2.030 -0.920 -18.983 338 H THR 35 HN THR 35 -2.196 -1.157 -16.585 339 HA THR 35 HA THR 35 0.105 -2.481 -15.357 340 HB THR 35 HB THR 35 -0.250 0.500 -15.656 341 HG1 THR 35 1HG THR 35 1.240 -0.958 -16.882 342 1HG2 THR 35 1HG2 THR 35 1.146 -0.875 -13.337 343 2HG2 THR 35 2HG2 THR 35 1.527 0.773 -13.880 344 3HG2 THR 35 3HG2 THR 35 -0.099 0.397 -13.296 345 QG2 THR 35 QG2 THR 35 0.858 0.098 -13.504 346 H ILE 36 HN ILE 36 -0.665 -3.168 -13.311 347 HA ILE 36 HA ILE 36 -3.374 -2.166 -12.518 348 HB ILE 36 HB ILE 36 -1.863 -4.708 -11.927 349 1HG1 ILE 36 2HG1 ILE 36 -2.901 -4.564 -14.219 350 2HG1 ILE 36 3HG1 ILE 36 -3.512 -5.869 -13.218 351 1HG2 ILE 36 2HG2 ILE 36 -4.515 -3.689 -10.841 352 2HG2 ILE 36 3HG2 ILE 36 -4.029 -5.390 -10.780 353 3HG2 ILE 36 1HG2 ILE 36 -3.070 -4.160 -9.932 354 1HD1 ILE 36 2HD1 ILE 36 -4.956 -3.209 -13.649 355 2HD1 ILE 36 3HD1 ILE 36 -5.297 -4.728 -14.483 356 3HD1 ILE 36 1HD1 ILE 36 -5.563 -4.611 -12.738 357 QG1 ILE 36 QG1 ILE 36 -3.207 -5.217 -13.719 358 QG2 ILE 36 QG2 ILE 36 -3.871 -4.413 -10.518 359 QD1 ILE 36 QD1 ILE 36 -5.272 -4.183 -13.623 360 H ILE 37 HN ILE 37 -3.496 -0.956 -10.673 361 HA ILE 37 HA ILE 37 -1.010 -0.696 -9.005 362 HB ILE 37 HB ILE 37 -3.247 1.246 -9.738 363 1HG1 ILE 37 2HG1 ILE 37 -1.662 0.971 -11.608 364 2HG1 ILE 37 3HG1 ILE 37 -1.640 2.584 -10.914 365 1HG2 ILE 37 1HG2 ILE 37 -0.848 1.663 -7.923 366 2HG2 ILE 37 2HG2 ILE 37 -1.930 2.919 -8.593 367 3HG2 ILE 37 3HG2 ILE 37 -2.570 1.683 -7.486 368 1HD1 ILE 37 3HD1 ILE 37 0.462 2.068 -9.696 369 2HD1 ILE 37 1HD1 ILE 37 0.449 0.424 -10.385 370 3HD1 ILE 37 2HD1 ILE 37 0.626 1.839 -11.436 371 QG1 ILE 37 QG1 ILE 37 -1.651 1.778 -11.261 372 QG2 ILE 37 QG2 ILE 37 -1.783 2.088 -8.001 373 QD1 ILE 37 QD1 ILE 37 0.513 1.443 -10.506 374 H GLU 38 HN GLU 38 -1.372 -1.210 -6.779 375 HA GLU 38 HA GLU 38 -4.102 -0.941 -5.758 376 1HB GLU 38 2HB GLU 38 -3.217 -3.447 -6.750 377 2HB GLU 38 3HB GLU 38 -2.912 -3.497 -5.004 378 1HG GLU 38 2HG GLU 38 -5.577 -2.704 -6.225 379 2HG GLU 38 3HG GLU 38 -5.205 -4.349 -5.711 380 QB GLU 38 QB GLU 38 -3.065 -3.472 -5.877 381 QG GLU 38 QG GLU 38 -5.391 -3.526 -5.968 382 NH1 ARG 39 NH2 ARG 39 -1.622 3.851 -6.243 383 NH2 ARG 39 NH1 ARG 39 0.334 4.938 -5.756 384 H ARG 39 HN ARG 39 -4.177 -0.953 -3.382 385 HA ARG 39 HA ARG 39 -1.530 -0.464 -2.093 386 1HB ARG 39 2HB ARG 39 -3.749 1.526 -2.673 387 2HB ARG 39 3HB ARG 39 -2.710 1.726 -1.261 388 1HG ARG 39 2HG ARG 39 -0.768 1.993 -2.520 389 2HG ARG 39 3HG ARG 39 -1.513 1.399 -4.026 390 1HD ARG 39 2HD ARG 39 -3.016 3.313 -4.113 391 2HD ARG 39 3HD ARG 39 -2.450 3.858 -2.542 392 HE ARG 39 HE ARG 39 -0.502 4.657 -3.335 393 1HH1 ARG 39 2HH2 ARG 39 -2.371 3.235 -5.959 394 2HH1 ARG 39 1HH2 ARG 39 -1.493 4.082 -7.214 395 1HH2 ARG 39 2HH1 ARG 39 0.765 5.531 -5.039 396 2HH2 ARG 39 1HH1 ARG 39 0.443 5.247 -6.705 397 QB ARG 39 QB ARG 39 -3.230 1.626 -1.967 398 QG ARG 39 QG ARG 39 -1.141 1.696 -3.273 399 QD ARG 39 QD ARG 39 -2.733 3.586 -3.328 400 QH1 ARG 39 QH2 ARG 39 -1.932 3.659 -6.586 401 QH2 ARG 39 QH1 ARG 39 0.604 5.389 -5.872 402 H GLY 40 HN GLY 40 -1.584 -0.359 0.208 403 1HA GLY 40 1HA GLY 40 -4.137 -0.782 1.541 404 2HA GLY 40 2HA GLY 40 -3.113 -2.228 1.516 405 QA GLY 40 QA GLY 40 -3.625 -1.505 1.529 406 H CYS 41 HN CYS 41 -3.709 -1.351 3.901 407 HA CYS 41 HA CYS 41 -1.769 0.518 4.992 408 1HB CYS 41 2HB CYS 41 -3.138 0.318 6.950 409 2HB CYS 41 3HB CYS 41 -4.265 0.173 5.615 410 QB CYS 41 QB CYS 41 -3.702 0.245 6.282 411 H GLY 42 HN GLY 42 -0.350 -0.206 6.830 412 1HA GLY 42 1HA GLY 42 1.007 -1.743 7.923 413 2HA GLY 42 2HA GLY 42 0.206 -3.077 7.093 414 QA GLY 42 QA GLY 42 0.606 -2.410 7.508 415 H CYS 43 HN CYS 43 2.357 -3.955 6.697 416 HA CYS 43 HA CYS 43 3.297 -3.145 4.035 417 1HB CYS 43 2HB CYS 43 4.773 -1.809 5.468 418 2HB CYS 43 3HB CYS 43 5.226 -3.269 6.362 419 QB CYS 43 QB CYS 43 4.999 -2.539 5.915 420 HA PRO 44 HA PRO 44 3.408 -7.717 4.639 421 1HB PRO 44 2HB PRO 44 1.406 -8.514 3.036 422 2HB PRO 44 3HB PRO 44 1.041 -7.735 4.604 423 1HG PRO 44 2HG PRO 44 1.090 -6.435 1.868 424 2HG PRO 44 3HG PRO 44 -0.192 -6.322 3.112 425 1HD PRO 44 2HD PRO 44 1.900 -4.493 2.768 426 2HD PRO 44 3HD PRO 44 1.024 -4.727 4.317 427 QB PRO 44 QB PRO 44 1.223 -8.124 3.820 428 QG PRO 44 QG PRO 44 0.449 -6.378 2.490 429 QD PRO 44 QD PRO 44 1.462 -4.610 3.543 430 H LYS 45 HN LYS 45 3.915 -9.334 2.918 431 HA LYS 45 HA LYS 45 5.611 -8.181 0.798 432 1HB LYS 45 2HB LYS 45 6.560 -9.857 2.207 433 2HB LYS 45 3HB LYS 45 5.185 -10.951 1.959 434 1HG LYS 45 2HG LYS 45 5.827 -11.370 -0.308 435 2HG LYS 45 3HG LYS 45 7.154 -10.169 -0.229 436 1HD LYS 45 2HD LYS 45 8.264 -11.558 1.487 437 2HD LYS 45 3HD LYS 45 6.888 -12.673 1.481 438 1HE LYS 45 2HE LYS 45 7.612 -12.528 -1.248 439 2HE LYS 45 3HE LYS 45 9.171 -12.423 -0.423 440 1HZ LYS 45 1HZ LYS 45 8.547 -14.474 0.750 441 2HZ LYS 45 2HZ LYS 45 7.148 -14.548 -0.120 442 3HZ LYS 45 3HZ LYS 45 8.598 -14.675 -0.881 443 QB LYS 45 QB LYS 45 5.872 -10.404 2.083 444 QG LYS 45 QG LYS 45 6.490 -10.769 -0.268 445 QD LYS 45 QD LYS 45 7.576 -12.116 1.484 446 QE LYS 45 QE LYS 45 8.391 -12.476 -0.835 447 QZ LYS 45 QZ LYS 45 8.098 -14.566 -0.084 448 H VAL 46 HN VAL 46 5.571 -9.270 -1.318 449 HA VAL 46 HA VAL 46 2.882 -10.061 -2.321 450 HB VAL 46 HB VAL 46 3.375 -8.770 -4.400 451 1HG1 VAL 46 1HG1 VAL 46 1.876 -7.837 -2.719 452 2HG1 VAL 46 2HG1 VAL 46 3.245 -7.083 -1.870 453 3HG1 VAL 46 3HG1 VAL 46 2.833 -6.573 -3.518 454 1HG2 VAL 46 3HG2 VAL 46 5.864 -8.594 -4.138 455 2HG2 VAL 46 1HG2 VAL 46 5.061 -7.055 -4.458 456 3HG2 VAL 46 2HG2 VAL 46 5.610 -7.439 -2.813 457 QG1 VAL 46 QG1 VAL 46 2.651 -7.164 -2.703 458 QG2 VAL 46 QG2 VAL 46 5.512 -7.696 -3.803 459 QQG VAL 46 QQG VAL 46 4.081 -7.430 -3.253 460 H LYS 47 HN LYS 47 3.275 -10.859 -4.722 461 HA LYS 47 HA LYS 47 5.170 -13.079 -4.558 462 1HB LYS 47 2HB LYS 47 2.767 -12.397 -6.120 463 2HB LYS 47 3HB LYS 47 4.012 -12.921 -7.175 464 1HG LYS 47 2HG LYS 47 3.096 -14.960 -6.676 465 2HG LYS 47 3HG LYS 47 4.267 -14.912 -5.376 466 1HD LYS 47 2HD LYS 47 2.472 -15.380 -4.045 467 2HD LYS 47 3HD LYS 47 2.263 -13.636 -4.087 468 1HE LYS 47 2HE LYS 47 0.131 -14.735 -4.493 469 2HE LYS 47 3HE LYS 47 0.615 -13.872 -5.961 470 1HZ LYS 47 2HZ LYS 47 1.064 -16.761 -5.530 471 2HZ LYS 47 3HZ LYS 47 -0.252 -16.149 -6.297 472 3HZ LYS 47 1HZ LYS 47 1.239 -15.930 -6.939 473 QB LYS 47 QB LYS 47 3.389 -12.659 -6.647 474 QG LYS 47 QG LYS 47 3.682 -14.936 -6.026 475 QD LYS 47 QD LYS 47 2.368 -14.508 -4.066 476 QE LYS 47 QE LYS 47 0.373 -14.303 -5.227 477 QZ LYS 47 QZ LYS 47 0.684 -16.280 -6.256 478 HA PRO 48 HA PRO 48 8.355 -11.230 -6.957 479 1HB PRO 48 2HB PRO 48 9.344 -13.185 -8.555 480 2HB PRO 48 3HB PRO 48 9.348 -13.346 -6.775 481 1HG PRO 48 2HG PRO 48 7.372 -14.510 -8.741 482 2HG PRO 48 3HG PRO 48 8.168 -15.337 -7.372 483 1HD PRO 48 2HD PRO 48 5.642 -14.228 -7.324 484 2HD PRO 48 3HD PRO 48 6.601 -14.392 -5.839 485 QB PRO 48 QB PRO 48 9.346 -13.266 -7.665 486 QG PRO 48 QG PRO 48 7.770 -14.924 -8.057 487 QD PRO 48 QD PRO 48 6.122 -14.310 -6.582 488 H GLY 49 HN GLY 49 9.102 -10.587 -9.203 489 1HA GLY 49 1HA GLY 49 8.692 -9.601 -11.209 490 2HA GLY 49 2HA GLY 49 7.505 -10.879 -11.501 491 QA GLY 49 QA GLY 49 8.098 -10.240 -11.355 492 H VAL 50 HN VAL 50 7.050 -8.905 -8.675 493 HA VAL 50 HA VAL 50 5.090 -7.081 -9.949 494 HB VAL 50 HB VAL 50 4.746 -8.911 -7.520 495 1HG1 VAL 50 2HG1 VAL 50 3.059 -6.545 -8.329 496 2HG1 VAL 50 3HG1 VAL 50 2.574 -7.773 -7.142 497 3HG1 VAL 50 1HG1 VAL 50 3.965 -6.740 -6.820 498 1HG2 VAL 50 1HG2 VAL 50 3.504 -8.749 -10.263 499 2HG2 VAL 50 2HG2 VAL 50 3.973 -10.157 -9.307 500 3HG2 VAL 50 3HG2 VAL 50 2.494 -9.274 -8.907 501 QG1 VAL 50 QG1 VAL 50 3.199 -7.019 -7.430 502 QG2 VAL 50 QG2 VAL 50 3.324 -9.393 -9.492 503 QQG VAL 50 QQG VAL 50 3.261 -8.206 -8.461 504 H GLY 51 HN GLY 51 5.370 -4.996 -9.158 505 1HA GLY 51 1HA GLY 51 7.678 -4.548 -7.549 506 2HA GLY 51 2HA GLY 51 6.717 -3.298 -8.286 507 QA GLY 51 QA GLY 51 7.198 -3.923 -7.918 508 H ILE 52 HN ILE 52 7.568 -3.052 -5.802 509 HA ILE 52 HA ILE 52 5.159 -2.966 -4.133 510 HB ILE 52 HB ILE 52 6.109 -5.176 -3.713 511 1HG1 ILE 52 2HG1 ILE 52 6.432 -5.174 -1.324 512 2HG1 ILE 52 3HG1 ILE 52 6.695 -3.432 -1.282 513 1HG2 ILE 52 1HG2 ILE 52 8.478 -4.736 -4.317 514 2HG2 ILE 52 2HG2 ILE 52 8.675 -3.816 -2.808 515 3HG2 ILE 52 3HG2 ILE 52 8.307 -5.548 -2.762 516 1HD1 ILE 52 3HD1 ILE 52 4.115 -4.671 -2.335 517 2HD1 ILE 52 1HD1 ILE 52 4.381 -4.331 -0.612 518 3HD1 ILE 52 2HD1 ILE 52 4.388 -3.006 -1.774 519 QG1 ILE 52 QG1 ILE 52 6.564 -4.303 -1.303 520 QG2 ILE 52 QG2 ILE 52 8.487 -4.700 -3.296 521 QD1 ILE 52 QD1 ILE 52 4.295 -4.002 -1.574 522 H HIS 53 HN HIS 53 5.379 -1.398 -2.408 523 HA HIS 53 HA HIS 53 7.950 -0.370 -1.666 524 1HB HIS 53 2HB HIS 53 7.465 1.045 -3.697 525 2HB HIS 53 3HB HIS 53 5.948 1.546 -2.949 526 HD1 HIS 53 HD1 HIS 53 6.625 4.115 -2.786 527 HD2 HIS 53 HD2 HIS 53 9.378 1.429 -1.040 528 HE1 HIS 53 HE1 HIS 53 8.339 5.536 -1.509 529 HE2 HIS 53 HE2 HIS 53 9.976 3.885 -0.418 530 QB HIS 53 QB HIS 53 6.707 1.295 -3.323 531 H CYS 54 HN CYS 54 7.776 0.382 0.492 532 HA CYS 54 HA CYS 54 5.061 0.649 1.678 533 1HB CYS 54 2HB CYS 54 7.541 -0.598 2.905 534 2HB CYS 54 3HB CYS 54 6.078 -0.157 3.790 535 QB CYS 54 QB CYS 54 6.809 -0.377 3.347 536 H CYS 55 HN CYS 55 5.003 2.187 3.545 537 HA CYS 55 HA CYS 55 7.275 3.883 4.066 538 1HB CYS 55 2HB CYS 55 6.112 5.949 3.319 539 2HB CYS 55 3HB CYS 55 6.652 4.913 2.014 540 QB CYS 55 QB CYS 55 6.382 5.431 2.666 541 H GLN 56 HN GLN 56 6.448 5.763 5.513 542 HA GLN 56 HA GLN 56 4.525 4.674 7.535 543 1HB GLN 56 2HB GLN 56 6.844 3.803 7.846 544 2HB GLN 56 3HB GLN 56 7.439 5.457 8.021 545 1HG GLN 56 2HG GLN 56 6.275 5.728 10.126 546 2HG GLN 56 3HG GLN 56 5.308 4.270 9.845 547 1HE2 GLN 56 2HE2 GLN 56 7.991 2.077 10.846 548 2HE2 GLN 56 1HE2 GLN 56 6.568 2.156 9.819 549 QB GLN 56 QB GLN 56 7.142 4.630 7.934 550 QG GLN 56 QG GLN 56 5.792 4.999 9.985 551 QE2 GLN 56 QE2 GLN 56 7.280 2.117 10.333 552 H SER 57 HN SER 57 3.830 6.784 5.931 553 HA SER 57 HA SER 57 3.452 8.784 8.080 554 1HB SER 57 2HB SER 57 4.237 9.532 5.236 555 2HB SER 57 3HB SER 57 3.455 10.634 6.370 556 HG SER 57 HG SER 57 5.249 10.368 7.732 557 QB SER 57 QB SER 57 3.846 10.083 5.803 558 H ASP 58 HN ASP 58 1.373 9.964 7.812 559 HA ASP 58 HA ASP 58 -0.736 8.185 7.155 560 1HB ASP 58 2HB ASP 58 -0.697 11.217 7.514 561 2HB ASP 58 3HB ASP 58 -2.153 10.234 7.342 562 QB ASP 58 QB ASP 58 -1.425 10.725 7.428 563 H LYS 59 HN LYS 59 -1.764 7.833 5.244 564 HA LYS 59 HA LYS 59 -2.138 7.834 2.964 565 1HB LYS 59 2HB LYS 59 -2.074 10.837 3.517 566 2HB LYS 59 3HB LYS 59 -2.764 10.113 2.078 567 1HG LYS 59 2HG LYS 59 -4.452 8.927 3.334 568 2HG LYS 59 3HG LYS 59 -3.668 9.312 4.862 569 1HD LYS 59 2HD LYS 59 -5.455 10.717 4.838 570 2HD LYS 59 3HD LYS 59 -4.088 11.760 4.451 571 1HE LYS 59 2HE LYS 59 -4.845 12.201 2.299 572 2HE LYS 59 3HE LYS 59 -5.557 10.600 2.093 573 1HZ LYS 59 1HZ LYS 59 -6.713 12.765 3.725 574 2HZ LYS 59 2HZ LYS 59 -7.245 12.277 2.246 575 3HZ LYS 59 3HZ LYS 59 -7.354 11.263 3.535 576 QB LYS 59 QB LYS 59 -2.419 10.475 2.798 577 QG LYS 59 QG LYS 59 -4.060 9.119 4.098 578 QD LYS 59 QD LYS 59 -4.771 11.239 4.644 579 QE LYS 59 QE LYS 59 -5.201 11.400 2.196 580 QZ LYS 59 QZ LYS 59 -7.104 12.102 3.169 581 H CYS 60 HN CYS 60 0.701 7.735 3.846 582 HA CYS 60 HA CYS 60 2.301 9.270 2.056 583 1HB CYS 60 2HB CYS 60 4.134 7.933 2.814 584 2HB CYS 60 3HB CYS 60 3.027 8.221 4.146 585 QB CYS 60 QB CYS 60 3.580 8.077 3.480 586 H ASN 61 HN ASN 61 0.867 6.021 1.850 587 HA ASN 61 HA ASN 61 2.160 5.410 -0.681 588 1HB ASN 61 2HB ASN 61 0.926 3.356 -0.601 589 2HB ASN 61 3HB ASN 61 1.619 3.650 0.996 590 1HD2 ASN 61 2HD2 ASN 61 -2.092 2.611 1.114 591 2HD2 ASN 61 1HD2 ASN 61 -0.688 1.917 0.315 592 QB ASN 61 QB ASN 61 1.273 3.503 0.197 593 QD2 ASN 61 QD2 ASN 61 -1.390 2.264 0.714 594 OH TYR 62 OH TYR 62 -4.363 11.543 -6.346 595 H TYR 62 HN TYR 62 0.905 7.885 -1.036 596 HA TYR 62 HA TYR 62 -1.715 7.500 -2.212 597 1HB TYR 62 2HB TYR 62 -0.676 9.832 -1.658 598 2HB TYR 62 3HB TYR 62 0.322 9.492 -3.092 599 HD1 TYR 62 HD2 TYR 62 -3.335 8.714 -2.974 600 HD2 TYR 62 HD1 TYR 62 -0.240 11.349 -4.420 601 HE1 TYR 62 HE2 TYR 62 -4.894 9.624 -4.643 602 HE2 TYR 62 HE1 TYR 62 -1.842 12.331 -6.018 603 HH TYR 62 HH TYR 62 -3.994 12.255 -6.873 604 QB TYR 62 QB TYR 62 -0.177 9.662 -2.375 605 QR TYR 62 QR TYR 62 -2.578 10.505 -4.514 Start of MODEL 14 Raw file had 605 H/Q atoms Start of MODEL 14 1 NH1 ARG 1 NH2 ARG 1 0.378 5.711 6.644 2 NH2 ARG 1 NH1 ARG 1 2.399 4.731 7.209 3 H ARG 1 HN ARG 1 -3.561 4.685 12.788 4 HA ARG 1 HA ARG 1 -2.953 6.258 11.019 5 1HB ARG 1 2HB ARG 1 -1.638 4.178 11.258 6 2HB ARG 1 3HB ARG 1 -2.769 3.314 10.257 7 1HG ARG 1 2HG ARG 1 -0.962 3.648 8.936 8 2HG ARG 1 3HG ARG 1 -2.115 4.805 8.298 9 1HD ARG 1 2HD ARG 1 -0.757 6.625 8.981 10 2HD ARG 1 3HD ARG 1 -0.278 5.811 10.463 11 HE ARG 1 HE ARG 1 1.521 4.810 9.495 12 1HH1 ARG 1 2HH2 ARG 1 -0.590 5.857 6.891 13 2HH1 ARG 1 1HH2 ARG 1 0.765 6.217 5.848 14 1HH2 ARG 1 2HH1 ARG 1 2.936 4.329 7.977 15 2HH2 ARG 1 1HH1 ARG 1 2.708 4.550 6.255 16 QB ARG 1 QB ARG 1 -2.204 3.746 10.758 17 QG ARG 1 QG ARG 1 -1.539 4.227 8.617 18 QD ARG 1 QD ARG 1 -0.517 6.218 9.722 19 QH1 ARG 1 QH2 ARG 1 0.088 6.037 6.369 20 QH2 ARG 1 QH1 ARG 1 2.822 4.440 7.116 21 H ILE 2 HN ILE 2 -3.367 6.945 8.707 22 HA ILE 2 HA ILE 2 -5.982 6.012 7.604 23 HB ILE 2 HB ILE 2 -4.804 8.805 7.619 24 1HG1 ILE 2 2HG1 ILE 2 -5.652 8.313 9.867 25 2HG1 ILE 2 3HG1 ILE 2 -6.612 9.536 9.055 26 1HG2 ILE 2 2HG2 ILE 2 -7.392 7.773 6.431 27 2HG2 ILE 2 3HG2 ILE 2 -7.027 9.493 6.694 28 3HG2 ILE 2 1HG2 ILE 2 -6.026 8.537 5.599 29 1HD1 ILE 2 1HD1 ILE 2 -8.360 7.821 8.531 30 2HD1 ILE 2 2HD1 ILE 2 -7.399 6.614 9.410 31 3HD1 ILE 2 3HD1 ILE 2 -8.061 8.009 10.263 32 QG1 ILE 2 QG1 ILE 2 -6.132 8.924 9.461 33 QG2 ILE 2 QG2 ILE 2 -6.815 8.601 6.242 34 QD1 ILE 2 QD1 ILE 2 -7.940 7.482 9.401 35 H CYS 3 HN CYS 3 -5.871 5.499 5.429 36 HA CYS 3 HA CYS 3 -3.516 6.282 3.822 37 1HB CYS 3 2HB CYS 3 -3.981 3.471 4.835 38 2HB CYS 3 3HB CYS 3 -3.141 3.750 3.304 39 QB CYS 3 QB CYS 3 -3.561 3.610 4.069 40 OH TYR 4 OH TYR 4 -6.092 11.726 -0.190 41 H TYR 4 HN TYR 4 -3.619 5.476 1.599 42 HA TYR 4 HA TYR 4 -6.367 5.801 0.587 43 1HB TYR 4 2HB TYR 4 -3.618 6.026 -0.607 44 2HB TYR 4 3HB TYR 4 -5.059 5.876 -1.596 45 HD1 TYR 4 HD2 TYR 4 -4.155 7.960 1.469 46 HD2 TYR 4 HD1 TYR 4 -5.643 7.925 -2.569 47 HE1 TYR 4 HE2 TYR 4 -4.929 10.301 1.707 48 HE2 TYR 4 HE1 TYR 4 -6.262 10.288 -2.376 49 HH TYR 4 HH TYR 4 -5.816 12.160 0.618 50 QB TYR 4 QB TYR 4 -4.339 5.951 -1.102 51 QR TYR 4 QR TYR 4 -5.247 9.118 -0.442 52 H ASN 5 HN ASN 5 -7.400 4.272 -0.632 53 HA ASN 5 HA ASN 5 -6.124 1.537 -0.875 54 1HB ASN 5 2HB ASN 5 -8.281 0.534 -0.363 55 2HB ASN 5 3HB ASN 5 -7.672 1.504 0.968 56 1HD2 ASN 5 2HD2 ASN 5 -10.384 3.709 1.097 57 2HD2 ASN 5 1HD2 ASN 5 -8.746 3.352 1.583 58 QB ASN 5 QB ASN 5 -7.976 1.019 0.303 59 QD2 ASN 5 QD2 ASN 5 -9.565 3.530 1.340 60 H HIS 6 HN HIS 6 -7.161 4.032 -2.810 61 HA HIS 6 HA HIS 6 -8.988 2.633 -4.504 62 1HB HIS 6 2HB HIS 6 -8.632 4.387 -6.166 63 2HB HIS 6 3HB HIS 6 -8.952 5.009 -4.566 64 HD1 HIS 6 HD1 HIS 6 -6.085 4.671 -7.132 65 HD2 HIS 6 HD2 HIS 6 -6.848 6.210 -3.273 66 HE1 HIS 6 HE1 HIS 6 -4.024 6.280 -6.402 67 HE2 HIS 6 HE2 HIS 6 -4.523 7.000 -4.126 68 QB HIS 6 QB HIS 6 -8.792 4.698 -5.366 69 H GLN 7 HN GLN 7 -8.796 1.723 -6.477 70 HA GLN 7 HA GLN 7 -6.389 0.236 -7.059 71 1HB GLN 7 2HB GLN 7 -9.212 0.321 -7.887 72 2HB GLN 7 3HB GLN 7 -8.208 0.219 -9.304 73 1HG GLN 7 2HG GLN 7 -7.966 -1.625 -6.880 74 2HG GLN 7 3HG GLN 7 -8.896 -1.992 -8.339 75 1HE2 GLN 7 2HE2 GLN 7 -5.260 -3.320 -8.462 76 2HE2 GLN 7 1HE2 GLN 7 -6.342 -3.245 -7.078 77 QB GLN 7 QB GLN 7 -8.710 0.270 -8.595 78 QG GLN 7 QG GLN 7 -8.431 -1.808 -7.610 79 QE2 GLN 7 QE2 GLN 7 -5.801 -3.283 -7.770 80 H SER 8 HN SER 8 -5.863 0.268 -9.575 81 HA SER 8 HA SER 8 -4.721 2.672 -10.534 82 1HB SER 8 2HB SER 8 -5.968 0.778 -12.498 83 2HB SER 8 3HB SER 8 -4.337 1.451 -12.459 84 HG SER 8 HG SER 8 -5.416 -0.749 -11.004 85 QB SER 8 QB SER 8 -5.152 1.115 -12.479 86 H THR 9 HN THR 9 -5.634 4.342 -11.757 87 HA THR 9 HA THR 9 -7.147 5.604 -12.885 88 HB THR 9 HB THR 9 -8.064 2.902 -13.925 89 HG1 THR 9 1HG THR 9 -5.554 4.103 -14.476 90 1HG2 THR 9 1HG2 THR 9 -7.260 5.490 -15.353 91 2HG2 THR 9 2HG2 THR 9 -7.736 3.968 -16.135 92 3HG2 THR 9 3HG2 THR 9 -8.911 4.869 -15.172 93 QG2 THR 9 QG2 THR 9 -7.969 4.776 -15.554 94 H THR 10 HN THR 10 -8.217 4.819 -10.248 95 HA THR 10 HA THR 10 -11.145 5.016 -10.804 96 HB THR 10 HB THR 10 -11.279 3.610 -8.601 97 HG1 THR 10 1HG THR 10 -8.792 2.733 -9.634 98 1HG2 THR 10 2HG2 THR 10 -10.411 2.352 -11.237 99 2HG2 THR 10 3HG2 THR 10 -11.210 1.497 -9.904 100 3HG2 THR 10 1HG2 THR 10 -12.073 2.771 -10.789 101 QG2 THR 10 QG2 THR 10 -11.231 2.207 -10.644 102 NH1 ARG 11 NH2 ARG 11 -13.315 12.073 -9.609 103 NH2 ARG 11 NH1 ARG 11 -14.758 10.773 -10.878 104 H ARG 11 HN ARG 11 -12.357 5.855 -8.965 105 HA ARG 11 HA ARG 11 -11.437 8.390 -8.298 106 1HB ARG 11 2HB ARG 11 -13.826 7.508 -8.284 107 2HB ARG 11 3HB ARG 11 -13.467 6.743 -6.736 108 1HG ARG 11 2HG ARG 11 -14.650 8.800 -6.342 109 2HG ARG 11 3HG ARG 11 -13.016 8.965 -5.717 110 1HD ARG 11 2HD ARG 11 -13.827 10.994 -6.876 111 2HD ARG 11 3HD ARG 11 -12.369 10.343 -7.638 112 HE ARG 11 HE ARG 11 -14.785 9.304 -8.847 113 1HH1 ARG 11 2HH2 ARG 11 -12.828 12.231 -8.740 114 2HH1 ARG 11 1HH2 ARG 11 -13.229 12.759 -10.345 115 1HH2 ARG 11 2HH1 ARG 11 -15.332 9.948 -10.989 116 2HH2 ARG 11 1HH1 ARG 11 -14.714 11.424 -11.648 117 QB ARG 11 QB ARG 11 -13.647 7.126 -7.510 118 QG ARG 11 QG ARG 11 -13.833 8.883 -6.030 119 QD ARG 11 QD ARG 11 -13.098 10.669 -7.257 120 QH1 ARG 11 QH2 ARG 11 -13.029 12.495 -9.543 121 QH2 ARG 11 QH1 ARG 11 -15.023 10.686 -11.318 122 H ALA 12 HN ALA 12 -10.285 9.253 -6.590 123 HA ALA 12 HA ALA 12 -8.610 7.638 -4.987 124 1HB ALA 12 1HB ALA 12 -9.536 10.514 -4.639 125 2HB ALA 12 2HB ALA 12 -8.217 9.755 -3.726 126 3HB ALA 12 3HB ALA 12 -8.071 9.961 -5.483 127 QB ALA 12 QB ALA 12 -8.608 10.077 -4.616 128 H THR 13 HN THR 13 -9.095 6.436 -3.176 129 HA THR 13 HA THR 13 -11.297 7.287 -1.390 130 HB THR 13 HB THR 13 -11.632 4.844 -0.978 131 HG1 THR 13 1HG THR 13 -10.620 3.392 -2.212 132 1HG2 THR 13 2HG2 THR 13 -13.171 6.158 -2.487 133 2HG2 THR 13 3HG2 THR 13 -12.170 5.687 -3.872 134 3HG2 THR 13 1HG2 THR 13 -13.035 4.447 -2.947 135 QG2 THR 13 QG2 THR 13 -12.792 5.430 -3.102 136 H THR 14 HN THR 14 -10.808 7.185 0.732 137 HA THR 14 HA THR 14 -8.132 6.294 1.613 138 HB THR 14 HB THR 14 -8.856 7.874 3.590 139 HG1 THR 14 1HG THR 14 -10.316 9.497 2.835 140 1HG2 THR 14 3HG2 THR 14 -8.168 8.992 0.832 141 2HG2 THR 14 1HG2 THR 14 -7.992 9.862 2.371 142 3HG2 THR 14 2HG2 THR 14 -7.034 8.404 2.068 143 QG2 THR 14 QG2 THR 14 -7.731 9.086 1.757 144 H LYS 15 HN LYS 15 -8.106 5.314 3.802 145 HA LYS 15 HA LYS 15 -10.605 4.670 5.058 146 1HB LYS 15 2HB LYS 15 -10.080 2.819 3.265 147 2HB LYS 15 3HB LYS 15 -8.885 2.244 4.413 148 1HG LYS 15 2HG LYS 15 -11.651 2.690 5.491 149 2HG LYS 15 3HG LYS 15 -11.610 1.621 4.108 150 1HD LYS 15 2HD LYS 15 -10.161 1.171 6.739 151 2HD LYS 15 3HD LYS 15 -11.550 0.304 6.081 152 1HE LYS 15 2HE LYS 15 -10.182 -1.171 5.065 153 2HE LYS 15 3HE LYS 15 -9.535 0.111 4.064 154 1HZ LYS 15 1HZ LYS 15 -8.020 0.568 6.075 155 2HZ LYS 15 2HZ LYS 15 -8.461 -0.911 6.601 156 3HZ LYS 15 3HZ LYS 15 -7.708 -0.740 5.145 157 QB LYS 15 QB LYS 15 -9.483 2.531 3.839 158 QG LYS 15 QG LYS 15 -11.631 2.155 4.800 159 QD LYS 15 QD LYS 15 -10.855 0.738 6.410 160 QE LYS 15 QE LYS 15 -9.859 -0.530 4.564 161 QZ LYS 15 QZ LYS 15 -8.063 -0.361 5.941 162 H SER 16 HN SER 16 -10.013 3.305 7.047 163 HA SER 16 HA SER 16 -7.767 4.547 8.439 164 1HB SER 16 2HB SER 16 -9.936 4.070 9.566 165 2HB SER 16 3HB SER 16 -9.652 2.329 9.347 166 HG SER 16 HG SER 16 -8.974 3.029 11.403 167 QB SER 16 QB SER 16 -9.794 3.199 9.456 168 H CYS 17 HN CYS 17 -6.253 3.106 9.683 169 HA CYS 17 HA CYS 17 -5.556 0.462 8.650 170 1HB CYS 17 2HB CYS 17 -4.325 1.713 7.032 171 2HB CYS 17 3HB CYS 17 -3.876 2.928 8.212 172 QB CYS 17 QB CYS 17 -4.101 2.320 7.622 173 H GLU 20 HN GLU 20 -4.417 -0.662 10.250 174 HA GLU 20 HA GLU 20 -4.316 0.611 12.896 175 1HB GLU 20 2HB GLU 20 -3.955 -1.672 13.703 176 2HB GLU 20 3HB GLU 20 -5.401 -1.482 12.715 177 1HG GLU 20 2HG GLU 20 -3.888 -2.450 10.752 178 2HG GLU 20 3HG GLU 20 -2.895 -3.027 12.101 179 QB GLU 20 QB GLU 20 -4.678 -1.577 13.209 180 QG GLU 20 QG GLU 20 -3.392 -2.738 11.427 181 H GLU 21 HN GLU 21 -2.019 -1.300 10.894 182 HA GLU 21 HA GLU 21 0.233 -0.887 12.415 183 1HB GLU 21 2HB GLU 21 0.042 -1.146 9.397 184 2HB GLU 21 3HB GLU 21 1.537 -1.319 10.320 185 1HG GLU 21 2HG GLU 21 0.492 -3.162 11.636 186 2HG GLU 21 3HG GLU 21 -0.903 -3.120 10.534 187 QB GLU 21 QB GLU 21 0.790 -1.233 9.859 188 QG GLU 21 QG GLU 21 -0.206 -3.141 11.085 189 H ASN 22 HN ASN 22 2.130 0.307 12.096 190 HA ASN 22 HA ASN 22 1.752 3.158 11.820 191 1HB ASN 22 2HB ASN 22 3.362 2.243 13.409 192 2HB ASN 22 3HB ASN 22 4.245 1.444 12.102 193 1HD2 ASN 22 2HD2 ASN 22 4.596 5.552 11.956 194 2HD2 ASN 22 1HD2 ASN 22 2.989 4.854 11.968 195 QB ASN 22 QB ASN 22 3.804 1.844 12.755 196 QD2 ASN 22 QD2 ASN 22 3.793 5.203 11.962 197 H SER 23 HN SER 23 2.580 0.545 9.541 198 HA SER 23 HA SER 23 3.724 2.412 7.564 199 1HB SER 23 2HB SER 23 4.048 -0.064 6.560 200 2HB SER 23 3HB SER 23 5.152 0.655 7.722 201 HG SER 23 HG SER 23 4.382 -1.497 8.356 202 QB SER 23 QB SER 23 4.600 0.296 7.141 203 H CYS 24 HN CYS 24 3.090 2.156 5.433 204 HA CYS 24 HA CYS 24 0.681 0.576 4.816 205 1HB CYS 24 2HB CYS 24 0.870 3.555 4.281 206 2HB CYS 24 3HB CYS 24 -0.219 2.496 3.377 207 QB CYS 24 QB CYS 24 0.326 3.026 3.829 208 OH TYR 25 OH TYR 25 -1.741 -5.089 0.252 209 H TYR 25 HN TYR 25 0.417 0.451 2.367 210 HA TYR 25 HA TYR 25 3.022 0.650 1.020 211 1HB TYR 25 2HB TYR 25 3.307 -1.657 0.676 212 2HB TYR 25 3HB TYR 25 2.823 -1.562 2.353 213 HD1 TYR 25 HD2 TYR 25 0.328 -2.004 2.896 214 HD2 TYR 25 HD1 TYR 25 2.171 -3.070 -0.845 215 HE1 TYR 25 HE2 TYR 25 -1.501 -3.626 2.452 216 HE2 TYR 25 HE1 TYR 25 0.302 -4.641 -1.306 217 HH TYR 25 HH TYR 25 -2.451 -5.062 0.897 218 QB TYR 25 QB TYR 25 3.065 -1.609 1.515 219 QR TYR 25 QR TYR 25 0.325 -3.335 0.799 220 H LYS 26 HN LYS 26 3.036 -0.270 -1.077 221 HA LYS 26 HA LYS 26 0.614 0.127 -2.713 222 1HB LYS 26 2HB LYS 26 2.794 1.959 -2.404 223 2HB LYS 26 3HB LYS 26 3.097 1.149 -3.932 224 1HG LYS 26 2HG LYS 26 0.431 2.382 -3.125 225 2HG LYS 26 3HG LYS 26 1.681 3.308 -3.960 226 1HD LYS 26 2HD LYS 26 0.628 0.681 -5.069 227 2HD LYS 26 3HD LYS 26 -0.238 2.174 -5.362 228 1HE LYS 26 2HE LYS 26 2.703 1.741 -6.080 229 2HE LYS 26 3HE LYS 26 1.381 1.331 -7.166 230 1HZ LYS 26 2HZ LYS 26 1.901 4.033 -6.113 231 2HZ LYS 26 3HZ LYS 26 2.348 3.491 -7.596 232 3HZ LYS 26 1HZ LYS 26 0.758 3.623 -7.225 233 QB LYS 26 QB LYS 26 2.945 1.554 -3.168 234 QG LYS 26 QG LYS 26 1.056 2.845 -3.542 235 QD LYS 26 QD LYS 26 0.195 1.428 -5.216 236 QE LYS 26 QE LYS 26 2.042 1.536 -6.623 237 QZ LYS 26 QZ LYS 26 1.669 3.716 -6.978 238 H LYS 27 HN LYS 27 0.473 -1.515 -4.181 239 HA LYS 27 HA LYS 27 2.786 -3.326 -4.710 240 1HB LYS 27 2HB LYS 27 1.294 -4.528 -3.314 241 2HB LYS 27 3HB LYS 27 -0.149 -3.915 -4.144 242 1HG LYS 27 2HG LYS 27 0.404 -5.202 -6.142 243 2HG LYS 27 3HG LYS 27 1.928 -5.735 -5.410 244 1HD LYS 27 2HD LYS 27 0.873 -7.479 -4.403 245 2HD LYS 27 3HD LYS 27 -0.188 -6.363 -3.559 246 1HE LYS 27 2HE LYS 27 -1.559 -7.929 -4.748 247 2HE LYS 27 3HE LYS 27 -1.758 -6.337 -5.482 248 1HZ LYS 27 2HZ LYS 27 -0.230 -7.046 -7.222 249 2HZ LYS 27 3HZ LYS 27 -0.084 -8.535 -6.538 250 3HZ LYS 27 1HZ LYS 27 -1.531 -8.031 -7.138 251 QB LYS 27 QB LYS 27 0.573 -4.222 -3.729 252 QG LYS 27 QG LYS 27 1.166 -5.468 -5.776 253 QD LYS 27 QD LYS 27 0.342 -6.921 -3.981 254 QE LYS 27 QE LYS 27 -1.658 -7.133 -5.115 255 QZ LYS 27 QZ LYS 27 -0.615 -7.871 -6.966 256 OH TYR 28 OH TYR 28 7.547 -0.001 -6.180 257 H TYR 28 HN TYR 28 3.141 -3.620 -6.995 258 HA TYR 28 HA TYR 28 1.033 -2.722 -8.825 259 1HB TYR 28 2HB TYR 28 2.855 -1.270 -9.881 260 2HB TYR 28 3HB TYR 28 1.969 -0.667 -8.486 261 HD1 TYR 28 HD1 TYR 28 3.053 -0.588 -6.221 262 HD2 TYR 28 HD2 TYR 28 5.266 -1.592 -9.785 263 HE1 TYR 28 HE1 TYR 28 5.162 -0.007 -5.072 264 HE2 TYR 28 HE2 TYR 28 7.365 -0.941 -8.655 265 HH TYR 28 HH TYR 28 8.312 -0.044 -6.756 266 QB TYR 28 QB TYR 28 2.412 -0.969 -9.184 267 QR TYR 28 QR TYR 28 5.212 -0.782 -7.433 268 CH2 TRP 29 CH2 TRP 29 -2.880 -5.873 -8.669 269 H TRP 29 HN TRP 29 1.134 -3.617 -10.842 270 HA TRP 29 HA TRP 29 3.504 -5.089 -11.699 271 1HB TRP 29 2HB TRP 29 2.359 -7.159 -12.000 272 2HB TRP 29 3HB TRP 29 2.320 -6.736 -10.303 273 HD1 TRP 29 HD1 TRP 29 0.176 -7.950 -13.023 274 HE1 TRP 29 HE1 TRP 29 -2.256 -8.089 -12.294 275 HE3 TRP 29 HE3 TRP 29 0.432 -5.095 -8.766 276 HZ2 TRP 29 HZ2 TRP 29 -3.896 -7.158 -10.077 277 HZ3 TRP 29 HZ3 TRP 29 -1.604 -4.565 -7.517 278 HH2 TRP 29 HH2 TRP 29 -3.763 -5.684 -8.075 279 QB TRP 29 QB TRP 29 2.339 -6.948 -11.152 280 NH1 ARG 30 NH2 ARG 30 6.032 -3.825 -18.269 281 NH2 ARG 30 NH1 ARG 30 6.136 -3.004 -20.434 282 H ARG 30 HN ARG 30 2.789 -6.184 -13.950 283 HA ARG 30 HA ARG 30 1.046 -4.383 -15.484 284 1HB ARG 30 2HB ARG 30 3.272 -3.319 -15.350 285 2HB ARG 30 3HB ARG 30 4.028 -4.758 -16.037 286 1HG ARG 30 2HG ARG 30 1.850 -3.213 -17.508 287 2HG ARG 30 3HG ARG 30 3.492 -2.616 -17.468 288 1HD ARG 30 2HD ARG 30 3.728 -5.377 -18.235 289 2HD ARG 30 3HD ARG 30 2.344 -4.737 -19.107 290 HE ARG 30 HE ARG 30 3.660 -3.537 -20.444 291 1HH1 ARG 30 2HH2 ARG 30 5.472 -4.190 -17.514 292 2HH1 ARG 30 1HH2 ARG 30 7.017 -3.672 -18.116 293 1HH2 ARG 30 2HH1 ARG 30 5.690 -2.785 -21.313 294 2HH2 ARG 30 1HH1 ARG 30 7.123 -2.813 -20.342 295 QB ARG 30 QB ARG 30 3.650 -4.038 -15.694 296 QG ARG 30 QG ARG 30 2.671 -2.914 -17.488 297 QD ARG 30 QD ARG 30 3.036 -5.057 -18.671 298 QH1 ARG 30 QH2 ARG 30 6.244 -3.931 -17.815 299 QH2 ARG 30 QH1 ARG 30 6.407 -2.799 -20.827 300 H ASP 31 HN ASP 31 0.635 -5.223 -17.522 301 HA ASP 31 HA ASP 31 1.433 -7.959 -18.255 302 1HB ASP 31 2HB ASP 31 -0.297 -8.693 -16.806 303 2HB ASP 31 3HB ASP 31 -1.334 -7.309 -17.158 304 QB ASP 31 QB ASP 31 -0.816 -8.001 -16.982 305 H HIS 32 HN HIS 32 -1.499 -6.201 -18.846 306 HA HIS 32 HA HIS 32 -1.198 -6.301 -21.657 307 1HB HIS 32 2HB HIS 32 -3.280 -6.151 -19.890 308 2HB HIS 32 3HB HIS 32 -3.254 -4.481 -20.395 309 HD1 HIS 32 HD1 HIS 32 -3.348 -8.041 -21.911 310 HD2 HIS 32 HD2 HIS 32 -4.800 -4.124 -22.549 311 HE1 HIS 32 HE1 HIS 32 -4.944 -8.158 -23.950 312 HE2 HIS 32 HE2 HIS 32 -5.814 -5.766 -24.314 313 QB HIS 32 QB HIS 32 -3.267 -5.316 -20.143 314 NH1 ARG 33 NH2 ARG 33 2.444 -2.503 -26.853 315 NH2 ARG 33 NH1 ARG 33 1.586 -4.243 -28.128 316 H ARG 33 HN ARG 33 -2.348 -3.720 -22.340 317 HA ARG 33 HA ARG 33 0.027 -1.982 -22.419 318 1HB ARG 33 2HB ARG 33 -2.798 -1.578 -23.495 319 2HB ARG 33 3HB ARG 33 -1.394 -0.577 -23.862 320 1HG ARG 33 2HG ARG 33 -1.674 -3.525 -24.626 321 2HG ARG 33 3HG ARG 33 -2.036 -2.152 -25.678 322 1HD ARG 33 2HD ARG 33 0.250 -1.367 -25.588 323 2HD ARG 33 3HD ARG 33 0.708 -2.678 -24.469 324 HE ARG 33 HE ARG 33 -0.433 -3.952 -26.659 325 1HH1 ARG 33 2HH2 ARG 33 2.326 -1.839 -26.102 326 2HH1 ARG 33 1HH2 ARG 33 3.307 -2.495 -27.376 327 1HH2 ARG 33 2HH1 ARG 33 0.842 -4.890 -28.346 328 2HH2 ARG 33 1HH1 ARG 33 2.433 -4.295 -28.675 329 QB ARG 33 QB ARG 33 -2.096 -1.077 -23.678 330 QG ARG 33 QG ARG 33 -1.855 -2.838 -25.152 331 QD ARG 33 QD ARG 33 0.479 -2.023 -25.029 332 QH1 ARG 33 QH2 ARG 33 2.816 -2.167 -26.739 333 QH2 ARG 33 QH1 ARG 33 1.637 -4.593 -28.510 334 H GLY 34 HN GLY 34 -0.716 -2.512 -19.824 335 1HA GLY 34 1HA GLY 34 -1.172 0.100 -18.764 336 2HA GLY 34 2HA GLY 34 -2.609 -0.924 -18.524 337 QA GLY 34 QA GLY 34 -1.891 -0.412 -18.644 338 H THR 35 HN THR 35 -0.958 0.113 -16.505 339 HA THR 35 HA THR 35 0.432 -2.238 -15.309 340 HB THR 35 HB THR 35 0.772 0.707 -14.752 341 HG1 THR 35 1HG THR 35 2.598 0.568 -16.039 342 1HG2 THR 35 2HG2 THR 35 1.469 -0.827 -12.883 343 2HG2 THR 35 3HG2 THR 35 2.558 -1.655 -14.005 344 3HG2 THR 35 1HG2 THR 35 2.839 0.046 -13.599 345 QG2 THR 35 QG2 THR 35 2.289 -0.812 -13.495 346 H ILE 36 HN ILE 36 -0.526 -3.002 -13.412 347 HA ILE 36 HA ILE 36 -3.007 -1.633 -12.553 348 HB ILE 36 HB ILE 36 -2.019 -4.423 -11.892 349 1HG1 ILE 36 2HG1 ILE 36 -4.091 -5.055 -13.259 350 2HG1 ILE 36 3HG1 ILE 36 -4.069 -3.425 -13.929 351 1HG2 ILE 36 1HG2 ILE 36 -4.647 -2.969 -11.355 352 2HG2 ILE 36 2HG2 ILE 36 -4.370 -4.683 -11.042 353 3HG2 ILE 36 3HG2 ILE 36 -3.462 -3.473 -10.133 354 1HD1 ILE 36 3HD1 ILE 36 -1.677 -5.328 -14.077 355 2HD1 ILE 36 1HD1 ILE 36 -2.997 -5.350 -15.262 356 3HD1 ILE 36 2HD1 ILE 36 -2.001 -3.901 -15.098 357 QG1 ILE 36 QG1 ILE 36 -4.080 -4.240 -13.594 358 QG2 ILE 36 QG2 ILE 36 -4.160 -3.708 -10.843 359 QD1 ILE 36 QD1 ILE 36 -2.225 -4.860 -14.813 360 H ILE 37 HN ILE 37 -3.080 -0.644 -10.631 361 HA ILE 37 HA ILE 37 -0.744 -0.648 -8.777 362 HB ILE 37 HB ILE 37 -2.604 1.477 -9.886 363 1HG1 ILE 37 2HG1 ILE 37 -0.539 2.853 -9.849 364 2HG1 ILE 37 3HG1 ILE 37 0.364 1.484 -9.192 365 1HG2 ILE 37 1HG2 ILE 37 -1.259 1.607 -7.187 366 2HG2 ILE 37 2HG2 ILE 37 -1.911 3.006 -8.078 367 3HG2 ILE 37 3HG2 ILE 37 -3.003 1.744 -7.506 368 1HD1 ILE 37 2HD1 ILE 37 -1.086 1.415 -11.866 369 2HD1 ILE 37 3HD1 ILE 37 0.615 1.888 -11.668 370 3HD1 ILE 37 1HD1 ILE 37 0.115 0.253 -11.239 371 QG1 ILE 37 QG1 ILE 37 -0.088 2.169 -9.521 372 QG2 ILE 37 QG2 ILE 37 -2.058 2.119 -7.591 373 QD1 ILE 37 QD1 ILE 37 -0.119 1.185 -11.591 374 H GLU 38 HN GLU 38 -1.232 -1.386 -6.742 375 HA GLU 38 HA GLU 38 -3.985 -1.202 -5.763 376 1HB GLU 38 2HB GLU 38 -3.575 -3.534 -6.658 377 2HB GLU 38 3HB GLU 38 -2.193 -3.689 -5.541 378 1HG GLU 38 2HG GLU 38 -4.320 -4.842 -4.802 379 2HG GLU 38 3HG GLU 38 -3.686 -3.679 -3.636 380 QB GLU 38 QB GLU 38 -2.884 -3.611 -6.100 381 QG GLU 38 QG GLU 38 -4.003 -4.261 -4.219 382 NH1 ARG 39 NH2 ARG 39 -2.535 3.843 -5.612 383 NH2 ARG 39 NH1 ARG 39 -0.818 4.766 -4.375 384 H ARG 39 HN ARG 39 -3.996 -1.360 -3.317 385 HA ARG 39 HA ARG 39 -1.446 -0.356 -2.148 386 1HB ARG 39 2HB ARG 39 -4.077 0.896 -1.494 387 2HB ARG 39 3HB ARG 39 -2.452 1.557 -1.540 388 1HG ARG 39 2HG ARG 39 -2.655 1.483 -4.111 389 2HG ARG 39 3HG ARG 39 -4.365 1.071 -3.851 390 1HD ARG 39 2HD ARG 39 -4.569 3.414 -3.919 391 2HD ARG 39 3HD ARG 39 -4.287 3.179 -2.220 392 HE ARG 39 HE ARG 39 -2.467 4.580 -2.544 393 1HH1 ARG 39 2HH2 ARG 39 -3.387 3.294 -5.641 394 2HH1 ARG 39 1HH2 ARG 39 -2.097 4.138 -6.469 395 1HH2 ARG 39 2HH1 ARG 39 -0.512 4.860 -3.409 396 2HH2 ARG 39 1HH1 ARG 39 -0.851 5.703 -4.798 397 QB ARG 39 QB ARG 39 -3.264 1.227 -1.517 398 QG ARG 39 QG ARG 39 -3.510 1.277 -3.981 399 QD ARG 39 QD ARG 39 -4.428 3.296 -3.070 400 QH1 ARG 39 QH2 ARG 39 -2.742 3.716 -6.055 401 QH2 ARG 39 QH1 ARG 39 -0.681 5.282 -4.104 402 H GLY 40 HN GLY 40 -1.648 -0.066 0.300 403 1HA GLY 40 1HA GLY 40 -4.001 -0.394 1.543 404 2HA GLY 40 2HA GLY 40 -3.397 -2.052 1.609 405 QA GLY 40 QA GLY 40 -3.699 -1.223 1.576 406 H CYS 41 HN CYS 41 -3.153 -2.065 3.839 407 HA CYS 41 HA CYS 41 -1.464 -0.010 5.153 408 1HB CYS 41 2HB CYS 41 -3.409 0.007 6.048 409 2HB CYS 41 3HB CYS 41 -3.771 -1.745 6.003 410 QB CYS 41 QB CYS 41 -3.590 -0.869 6.025 411 H GLY 42 HN GLY 42 -0.222 -0.657 6.905 412 1HA GLY 42 1HA GLY 42 1.465 -1.982 7.919 413 2HA GLY 42 2HA GLY 42 0.769 -3.398 7.090 414 QA GLY 42 QA GLY 42 1.117 -2.690 7.505 415 H CYS 43 HN CYS 43 2.977 -4.065 6.740 416 HA CYS 43 HA CYS 43 3.787 -3.174 4.025 417 1HB CYS 43 2HB CYS 43 5.284 -1.973 5.587 418 2HB CYS 43 3HB CYS 43 5.807 -3.526 6.262 419 QB CYS 43 QB CYS 43 5.545 -2.749 5.925 420 HA PRO 44 HA PRO 44 3.559 -7.753 4.645 421 1HB PRO 44 2HB PRO 44 1.617 -8.427 2.867 422 2HB PRO 44 3HB PRO 44 1.236 -7.703 4.454 423 1HG PRO 44 2HG PRO 44 1.445 -6.293 1.780 424 2HG PRO 44 3HG PRO 44 0.130 -6.170 2.984 425 1HD PRO 44 2HD PRO 44 2.212 -4.367 2.826 426 2HD PRO 44 3HD PRO 44 1.407 -4.772 4.368 427 QB PRO 44 QB PRO 44 1.426 -8.065 3.660 428 QG PRO 44 QG PRO 44 0.788 -6.231 2.382 429 QD PRO 44 QD PRO 44 1.810 -4.569 3.597 430 H LYS 45 HN LYS 45 4.071 -9.499 3.120 431 HA LYS 45 HA LYS 45 5.919 -8.682 0.998 432 1HB LYS 45 2HB LYS 45 6.571 -10.499 2.405 433 2HB LYS 45 3HB LYS 45 5.043 -11.359 2.115 434 1HG LYS 45 2HG LYS 45 5.593 -11.859 -0.108 435 2HG LYS 45 3HG LYS 45 7.032 -10.783 -0.086 436 1HD LYS 45 2HD LYS 45 8.254 -12.296 1.272 437 2HD LYS 45 3HD LYS 45 6.796 -13.188 1.737 438 1HE LYS 45 2HE LYS 45 8.231 -14.378 0.016 439 2HE LYS 45 3HE LYS 45 6.530 -14.178 -0.410 440 1HZ LYS 45 3HZ LYS 45 7.117 -12.326 -1.811 441 2HZ LYS 45 1HZ LYS 45 8.726 -12.497 -1.431 442 3HZ LYS 45 2HZ LYS 45 7.921 -13.663 -2.259 443 QB LYS 45 QB LYS 45 5.807 -10.929 2.260 444 QG LYS 45 QG LYS 45 6.313 -11.321 -0.097 445 QD LYS 45 QD LYS 45 7.525 -12.742 1.504 446 QE LYS 45 QE LYS 45 7.381 -14.278 -0.197 447 QZ LYS 45 QZ LYS 45 7.921 -12.828 -1.834 448 H VAL 46 HN VAL 46 5.758 -9.652 -1.109 449 HA VAL 46 HA VAL 46 3.033 -10.204 -2.169 450 HB VAL 46 HB VAL 46 3.636 -8.930 -4.207 451 1HG1 VAL 46 3HG1 VAL 46 2.270 -7.906 -2.410 452 2HG1 VAL 46 1HG1 VAL 46 3.733 -7.260 -1.656 453 3HG1 VAL 46 2HG1 VAL 46 3.251 -6.701 -3.267 454 1HG2 VAL 46 1HG2 VAL 46 6.156 -9.010 -3.907 455 2HG2 VAL 46 2HG2 VAL 46 5.505 -7.417 -4.280 456 3HG2 VAL 46 3HG2 VAL 46 5.978 -7.810 -2.615 457 QG1 VAL 46 QG1 VAL 46 3.084 -7.289 -2.444 458 QG2 VAL 46 QG2 VAL 46 5.880 -8.079 -3.601 459 QQG VAL 46 QQG VAL 46 4.482 -7.684 -3.023 460 H LYS 47 HN LYS 47 3.240 -11.133 -4.418 461 HA LYS 47 HA LYS 47 4.915 -13.505 -4.476 462 1HB LYS 47 2HB LYS 47 2.729 -12.294 -6.070 463 2HB LYS 47 3HB LYS 47 3.848 -13.096 -7.053 464 1HG LYS 47 2HG LYS 47 2.162 -14.644 -6.572 465 2HG LYS 47 3HG LYS 47 3.562 -15.180 -5.627 466 1HD LYS 47 2HD LYS 47 2.565 -14.278 -3.565 467 2HD LYS 47 3HD LYS 47 1.341 -13.411 -4.487 468 1HE LYS 47 2HE LYS 47 0.510 -15.462 -3.304 469 2HE LYS 47 3HE LYS 47 0.111 -15.350 -5.019 470 1HZ LYS 47 2HZ LYS 47 2.361 -16.939 -3.976 471 2HZ LYS 47 3HZ LYS 47 0.870 -17.548 -4.294 472 3HZ LYS 47 1HZ LYS 47 1.775 -16.934 -5.515 473 QB LYS 47 QB LYS 47 3.289 -12.695 -6.561 474 QG LYS 47 QG LYS 47 2.862 -14.912 -6.100 475 QD LYS 47 QD LYS 47 1.953 -13.845 -4.026 476 QE LYS 47 QE LYS 47 0.310 -15.406 -4.161 477 QZ LYS 47 QZ LYS 47 1.669 -17.140 -4.595 478 HA PRO 48 HA PRO 48 8.231 -11.735 -6.905 479 1HB PRO 48 2HB PRO 48 8.941 -13.671 -8.676 480 2HB PRO 48 3HB PRO 48 9.137 -13.885 -6.914 481 1HG PRO 48 2HG PRO 48 6.974 -14.973 -8.698 482 2HG PRO 48 3HG PRO 48 7.805 -15.787 -7.344 483 1HD PRO 48 2HD PRO 48 5.323 -14.508 -7.282 484 2HD PRO 48 3HD PRO 48 6.235 -14.830 -5.804 485 QB PRO 48 QB PRO 48 9.039 -13.778 -7.795 486 QG PRO 48 QG PRO 48 7.390 -15.380 -8.021 487 QD PRO 48 QD PRO 48 5.779 -14.669 -6.543 488 H GLY 49 HN GLY 49 8.787 -10.917 -9.110 489 1HA GLY 49 1HA GLY 49 8.269 -9.811 -11.020 490 2HA GLY 49 2HA GLY 49 7.069 -11.070 -11.332 491 QA GLY 49 QA GLY 49 7.669 -10.440 -11.176 492 H VAL 50 HN VAL 50 6.845 -9.161 -8.398 493 HA VAL 50 HA VAL 50 4.767 -7.337 -9.496 494 HB VAL 50 HB VAL 50 4.604 -9.144 -7.038 495 1HG1 VAL 50 3HG1 VAL 50 2.750 -6.881 -7.883 496 2HG1 VAL 50 1HG1 VAL 50 2.390 -8.098 -6.636 497 3HG1 VAL 50 2HG1 VAL 50 3.734 -6.976 -6.404 498 1HG2 VAL 50 1HG2 VAL 50 2.864 -8.972 -9.538 499 2HG2 VAL 50 2HG2 VAL 50 3.949 -10.300 -9.101 500 3HG2 VAL 50 3HG2 VAL 50 2.523 -9.979 -8.117 501 QG1 VAL 50 QG1 VAL 50 2.958 -7.318 -6.974 502 QG2 VAL 50 QG2 VAL 50 3.112 -9.750 -8.919 503 QQG VAL 50 QQG VAL 50 3.035 -8.534 -7.947 504 H GLY 51 HN GLY 51 5.386 -5.248 -8.946 505 1HA GLY 51 1HA GLY 51 7.618 -4.908 -7.210 506 2HA GLY 51 2HA GLY 51 6.818 -3.611 -8.056 507 QA GLY 51 QA GLY 51 7.218 -4.260 -7.633 508 H ILE 52 HN ILE 52 7.509 -3.266 -5.534 509 HA ILE 52 HA ILE 52 5.033 -2.943 -4.064 510 HB ILE 52 HB ILE 52 5.501 -5.241 -3.622 511 1HG1 ILE 52 2HG1 ILE 52 4.665 -3.636 -1.777 512 2HG1 ILE 52 3HG1 ILE 52 5.063 -5.311 -1.427 513 1HG2 ILE 52 2HG2 ILE 52 8.254 -4.432 -2.619 514 2HG2 ILE 52 3HG2 ILE 52 7.506 -6.023 -2.390 515 3HG2 ILE 52 1HG2 ILE 52 7.859 -5.448 -4.021 516 1HD1 ILE 52 2HD1 ILE 52 6.928 -2.999 -0.782 517 2HD1 ILE 52 3HD1 ILE 52 5.835 -3.839 0.329 518 3HD1 ILE 52 1HD1 ILE 52 7.176 -4.715 -0.401 519 QG1 ILE 52 QG1 ILE 52 4.864 -4.474 -1.602 520 QG2 ILE 52 QG2 ILE 52 7.873 -5.301 -3.010 521 QD1 ILE 52 QD1 ILE 52 6.646 -3.851 -0.285 522 H HIS 53 HN HIS 53 5.191 -1.363 -2.458 523 HA HIS 53 HA HIS 53 7.841 -0.471 -1.577 524 1HB HIS 53 2HB HIS 53 7.282 0.860 -3.675 525 2HB HIS 53 3HB HIS 53 5.880 1.504 -2.826 526 HD1 HIS 53 HD1 HIS 53 9.740 1.587 -2.683 527 HD2 HIS 53 HD2 HIS 53 6.357 3.277 -0.813 528 HE1 HIS 53 HE1 HIS 53 10.614 3.371 -1.043 529 HE2 HIS 53 HE2 HIS 53 8.537 4.349 0.113 530 QB HIS 53 QB HIS 53 6.581 1.182 -3.251 531 H CYS 54 HN CYS 54 7.707 0.570 0.474 532 HA CYS 54 HA CYS 54 5.019 0.691 1.739 533 1HB CYS 54 2HB CYS 54 7.603 -0.321 2.944 534 2HB CYS 54 3HB CYS 54 6.107 -0.023 3.833 535 QB CYS 54 QB CYS 54 6.855 -0.172 3.389 536 H CYS 55 HN CYS 55 4.814 2.341 3.421 537 HA CYS 55 HA CYS 55 6.984 4.216 3.801 538 1HB CYS 55 2HB CYS 55 5.677 6.142 3.010 539 2HB CYS 55 3HB CYS 55 6.196 5.053 1.745 540 QB CYS 55 QB CYS 55 5.936 5.598 2.378 541 H GLN 56 HN GLN 56 6.569 5.798 5.283 542 HA GLN 56 HA GLN 56 4.941 4.644 7.489 543 1HB GLN 56 2HB GLN 56 7.518 4.402 7.351 544 2HB GLN 56 3HB GLN 56 7.557 6.104 7.806 545 1HG GLN 56 2HG GLN 56 7.663 5.171 9.898 546 2HG GLN 56 3HG GLN 56 5.907 5.222 9.768 547 1HE2 GLN 56 2HE2 GLN 56 7.791 1.650 10.084 548 2HE2 GLN 56 1HE2 GLN 56 8.648 3.174 10.225 549 QB GLN 56 QB GLN 56 7.538 5.253 7.579 550 QG GLN 56 QG GLN 56 6.785 5.196 9.833 551 QE2 GLN 56 QE2 GLN 56 8.219 2.412 10.154 552 H SER 57 HN SER 57 3.676 6.760 6.041 553 HA SER 57 HA SER 57 3.283 8.611 8.286 554 1HB SER 57 2HB SER 57 3.965 9.797 5.562 555 2HB SER 57 3HB SER 57 3.579 10.659 7.059 556 HG SER 57 HG SER 57 5.521 9.186 7.800 557 QB SER 57 QB SER 57 3.772 10.228 6.311 558 H ASP 58 HN ASP 58 1.183 9.760 8.116 559 HA ASP 58 HA ASP 58 -0.822 8.044 7.118 560 1HB ASP 58 2HB ASP 58 -2.391 9.660 7.796 561 2HB ASP 58 3HB ASP 58 -1.074 9.736 8.975 562 QB ASP 58 QB ASP 58 -1.733 9.698 8.386 563 H LYS 59 HN LYS 59 -2.068 8.080 5.302 564 HA LYS 59 HA LYS 59 -2.569 8.312 3.121 565 1HB LYS 59 2HB LYS 59 -1.630 11.186 3.401 566 2HB LYS 59 3HB LYS 59 -2.800 10.572 2.257 567 1HG LYS 59 2HG LYS 59 -4.361 9.996 4.124 568 2HG LYS 59 3HG LYS 59 -3.187 10.589 5.300 569 1HD LYS 59 2HD LYS 59 -4.657 12.275 3.254 570 2HD LYS 59 3HD LYS 59 -4.841 12.239 5.015 571 1HE LYS 59 2HE LYS 59 -2.151 12.775 4.848 572 2HE LYS 59 3HE LYS 59 -2.684 13.503 3.333 573 1HZ LYS 59 3HZ LYS 59 -4.246 14.820 4.715 574 2HZ LYS 59 1HZ LYS 59 -3.635 14.070 6.067 575 3HZ LYS 59 2HZ LYS 59 -2.678 15.039 5.163 576 QB LYS 59 QB LYS 59 -2.215 10.879 2.829 577 QG LYS 59 QG LYS 59 -3.774 10.293 4.712 578 QD LYS 59 QD LYS 59 -4.749 12.257 4.135 579 QE LYS 59 QE LYS 59 -2.418 13.139 4.090 580 QZ LYS 59 QZ LYS 59 -3.520 14.643 5.315 581 H CYS 60 HN CYS 60 0.690 8.469 3.934 582 HA CYS 60 HA CYS 60 2.024 9.458 1.797 583 1HB CYS 60 2HB CYS 60 3.861 8.007 2.384 584 2HB CYS 60 3HB CYS 60 3.026 8.525 3.839 585 QB CYS 60 QB CYS 60 3.443 8.266 3.112 586 H ASN 61 HN ASN 61 0.303 6.359 1.821 587 HA ASN 61 HA ASN 61 1.632 5.436 -0.586 588 1HB ASN 61 2HB ASN 61 0.446 3.428 -0.291 589 2HB ASN 61 3HB ASN 61 0.896 3.942 1.338 590 1HD2 ASN 61 2HD2 ASN 61 -2.809 2.842 0.859 591 2HD2 ASN 61 1HD2 ASN 61 -1.244 2.094 0.487 592 QB ASN 61 QB ASN 61 0.671 3.685 0.524 593 QD2 ASN 61 QD2 ASN 61 -2.027 2.468 0.673 594 OH TYR 62 OH TYR 62 -4.538 13.873 -1.924 595 H TYR 62 HN TYR 62 0.328 7.911 -1.243 596 HA TYR 62 HA TYR 62 -2.353 7.845 -1.433 597 1HB TYR 62 2HB TYR 62 -0.274 9.680 -2.014 598 2HB TYR 62 3HB TYR 62 -0.974 9.335 -3.588 599 HD1 TYR 62 HD1 TYR 62 -3.115 10.230 -4.245 600 HD2 TYR 62 HD2 TYR 62 -1.497 10.920 -0.309 601 HE1 TYR 62 HE1 TYR 62 -4.519 12.252 -4.021 602 HE2 TYR 62 HE2 TYR 62 -2.889 12.956 -0.096 603 HH TYR 62 HH TYR 62 -5.139 14.002 -2.659 604 QB TYR 62 QB TYR 62 -0.624 9.507 -2.801 605 QR TYR 62 QR TYR 62 -3.005 11.589 -2.168 Start of MODEL 15 Raw file had 605 H/Q atoms Start of MODEL 15 1 NH1 ARG 1 NH2 ARG 1 -0.349 6.257 7.326 2 NH2 ARG 1 NH1 ARG 1 1.469 4.854 7.499 3 H ARG 1 HN ARG 1 -5.424 5.174 11.704 4 HA ARG 1 HA ARG 1 -3.434 6.579 11.210 5 1HB ARG 1 2HB ARG 1 -2.220 4.006 11.601 6 2HB ARG 1 3HB ARG 1 -1.944 4.392 9.913 7 1HG ARG 1 2HG ARG 1 -1.391 6.438 12.128 8 2HG ARG 1 3HG ARG 1 -0.241 5.152 11.804 9 1HD ARG 1 2HD ARG 1 -1.306 6.863 9.576 10 2HD ARG 1 3HD ARG 1 0.060 7.430 10.502 11 HE ARG 1 HE ARG 1 1.171 5.162 9.935 12 1HH1 ARG 1 2HH2 ARG 1 -1.047 6.874 7.726 13 2HH1 ARG 1 1HH2 ARG 1 -0.205 6.323 6.323 14 1HH2 ARG 1 2HH1 ARG 1 2.095 4.337 8.114 15 2HH2 ARG 1 1HH1 ARG 1 1.401 4.594 6.522 16 QB ARG 1 QB ARG 1 -2.082 4.199 10.757 17 QG ARG 1 QG ARG 1 -0.816 5.795 11.966 18 QD ARG 1 QD ARG 1 -0.623 7.146 10.039 19 QH1 ARG 1 QH2 ARG 1 -0.626 6.598 7.025 20 QH2 ARG 1 QH1 ARG 1 1.748 4.466 7.318 21 H ILE 2 HN ILE 2 -3.324 7.382 8.777 22 HA ILE 2 HA ILE 2 -5.620 6.056 7.387 23 HB ILE 2 HB ILE 2 -4.788 8.952 7.470 24 1HG1 ILE 2 2HG1 ILE 2 -7.217 9.190 8.387 25 2HG1 ILE 2 3HG1 ILE 2 -7.222 7.448 8.640 26 1HG2 ILE 2 2HG2 ILE 2 -7.091 7.555 6.024 27 2HG2 ILE 2 3HG2 ILE 2 -6.928 9.309 6.167 28 3HG2 ILE 2 1HG2 ILE 2 -5.726 8.394 5.265 29 1HD1 ILE 2 1HD1 ILE 2 -5.159 9.299 9.906 30 2HD1 ILE 2 2HD1 ILE 2 -6.748 8.977 10.635 31 3HD1 ILE 2 3HD1 ILE 2 -5.612 7.651 10.416 32 QG1 ILE 2 QG1 ILE 2 -7.219 8.319 8.513 33 QG2 ILE 2 QG2 ILE 2 -6.582 8.419 5.819 34 QD1 ILE 2 QD1 ILE 2 -5.840 8.642 10.319 35 H CYS 3 HN CYS 3 -5.419 5.554 5.265 36 HA CYS 3 HA CYS 3 -3.144 6.605 3.734 37 1HB CYS 3 2HB CYS 3 -3.156 3.866 4.888 38 2HB CYS 3 3HB CYS 3 -2.685 3.950 3.212 39 QB CYS 3 QB CYS 3 -2.921 3.908 4.050 40 OH TYR 4 OH TYR 4 -3.610 11.370 -1.549 41 H TYR 4 HN TYR 4 -3.015 5.405 1.591 42 HA TYR 4 HA TYR 4 -5.648 5.714 0.314 43 1HB TYR 4 2HB TYR 4 -2.793 5.366 -0.593 44 2HB TYR 4 3HB TYR 4 -4.102 5.285 -1.734 45 HD1 TYR 4 HD2 TYR 4 -5.880 7.447 -1.279 46 HD2 TYR 4 HD1 TYR 4 -1.626 7.410 -0.575 47 HE1 TYR 4 HE2 TYR 4 -5.798 9.878 -1.661 48 HE2 TYR 4 HE1 TYR 4 -1.540 9.832 -1.068 49 HH TYR 4 HH TYR 4 -4.461 11.773 -1.730 50 QB TYR 4 QB TYR 4 -3.447 5.325 -1.164 51 QR TYR 4 QR TYR 4 -3.711 8.642 -1.146 52 H ASN 5 HN ASN 5 -6.755 4.083 -0.498 53 HA ASN 5 HA ASN 5 -5.775 1.256 -0.479 54 1HB ASN 5 2HB ASN 5 -8.408 1.272 0.655 55 2HB ASN 5 3HB ASN 5 -6.892 0.844 1.435 56 1HD2 ASN 5 2HD2 ASN 5 -6.794 3.746 3.429 57 2HD2 ASN 5 1HD2 ASN 5 -6.215 2.115 3.140 58 QB ASN 5 QB ASN 5 -7.650 1.058 1.045 59 QD2 ASN 5 QD2 ASN 5 -6.504 2.931 3.285 60 H HIS 6 HN HIS 6 -6.241 3.267 -2.583 61 HA HIS 6 HA HIS 6 -8.683 2.271 -3.932 62 1HB HIS 6 2HB HIS 6 -8.283 4.014 -5.605 63 2HB HIS 6 3HB HIS 6 -8.701 4.542 -4.004 64 HD1 HIS 6 HD1 HIS 6 -6.358 5.336 -6.723 65 HD2 HIS 6 HD2 HIS 6 -6.313 5.381 -2.520 66 HE1 HIS 6 HE1 HIS 6 -4.317 6.830 -5.987 67 HE2 HIS 6 HE2 HIS 6 -4.400 6.887 -3.439 68 QB HIS 6 QB HIS 6 -8.492 4.278 -4.805 69 H GLN 7 HN GLN 7 -8.589 1.000 -5.482 70 HA GLN 7 HA GLN 7 -6.181 -0.221 -6.545 71 1HB GLN 7 2HB GLN 7 -8.261 -1.420 -6.127 72 2HB GLN 7 3HB GLN 7 -9.125 -0.446 -7.332 73 1HG GLN 7 2HG GLN 7 -7.657 -1.459 -9.102 74 2HG GLN 7 3HG GLN 7 -6.856 -2.428 -7.848 75 1HE2 GLN 7 2HE2 GLN 7 -10.479 -3.911 -7.590 76 2HE2 GLN 7 1HE2 GLN 7 -9.743 -2.704 -6.553 77 QB GLN 7 QB GLN 7 -8.693 -0.933 -6.730 78 QG GLN 7 QG GLN 7 -7.256 -1.943 -8.475 79 QE2 GLN 7 QE2 GLN 7 -10.111 -3.308 -7.072 80 H SER 8 HN SER 8 -5.935 -0.271 -9.046 81 HA SER 8 HA SER 8 -5.989 2.253 -10.391 82 1HB SER 8 2HB SER 8 -5.897 0.628 -12.439 83 2HB SER 8 3HB SER 8 -4.537 0.873 -11.349 84 HG SER 8 HG SER 8 -6.456 -1.231 -11.252 85 QB SER 8 QB SER 8 -5.217 0.751 -11.894 86 H THR 9 HN THR 9 -8.262 2.777 -9.600 87 HA THR 9 HA THR 9 -10.139 2.316 -11.834 88 HB THR 9 HB THR 9 -10.660 0.525 -10.287 89 HG1 THR 9 1HG THR 9 -12.889 1.049 -10.151 90 1HG2 THR 9 1HG2 THR 9 -10.044 1.712 -8.122 91 2HG2 THR 9 2HG2 THR 9 -11.595 2.564 -8.231 92 3HG2 THR 9 3HG2 THR 9 -11.565 0.804 -8.109 93 QG2 THR 9 QG2 THR 9 -11.068 1.693 -8.154 94 H THR 10 HN THR 10 -9.043 4.412 -12.080 95 HA THR 10 HA THR 10 -9.189 6.737 -12.102 96 HB THR 10 HB THR 10 -11.189 7.613 -12.571 97 HG1 THR 10 1HG THR 10 -13.176 6.428 -11.925 98 1HG2 THR 10 1HG2 THR 10 -10.565 5.703 -14.076 99 2HG2 THR 10 2HG2 THR 10 -11.680 4.664 -13.156 100 3HG2 THR 10 3HG2 THR 10 -12.299 6.073 -14.034 101 QG2 THR 10 QG2 THR 10 -11.515 5.480 -13.755 102 NH1 ARG 11 NH2 ARG 11 -8.874 13.695 -8.149 103 NH2 ARG 11 NH1 ARG 11 -8.224 13.347 -5.952 104 H ARG 11 HN ARG 11 -11.374 7.798 -10.415 105 HA ARG 11 HA ARG 11 -9.754 9.417 -8.848 106 1HB ARG 11 2HB ARG 11 -12.161 9.878 -9.462 107 2HB ARG 11 3HB ARG 11 -12.650 8.732 -8.208 108 1HG ARG 11 2HG ARG 11 -12.865 10.940 -7.314 109 2HG ARG 11 3HG ARG 11 -11.518 10.172 -6.494 110 1HD ARG 11 2HD ARG 11 -10.424 11.516 -8.799 111 2HD ARG 11 3HD ARG 11 -11.629 12.609 -8.115 112 HE ARG 11 HE ARG 11 -10.175 11.749 -5.920 113 1HH1 ARG 11 2HH2 ARG 11 -9.516 13.510 -8.906 114 2HH1 ARG 11 1HH2 ARG 11 -8.147 14.380 -8.293 115 1HH2 ARG 11 2HH1 ARG 11 -8.366 12.918 -5.049 116 2HH2 ARG 11 1HH1 ARG 11 -7.476 14.019 -6.045 117 QB ARG 11 QB ARG 11 -12.405 9.305 -8.835 118 QG ARG 11 QG ARG 11 -12.191 10.556 -6.904 119 QD ARG 11 QD ARG 11 -11.026 12.063 -8.457 120 QH1 ARG 11 QH2 ARG 11 -8.831 13.945 -8.599 121 QH2 ARG 11 QH1 ARG 11 -7.921 13.469 -5.547 122 H ALA 12 HN ALA 12 -8.882 9.423 -6.875 123 HA ALA 12 HA ALA 12 -8.429 6.902 -5.627 124 1HB ALA 12 1HB ALA 12 -6.751 8.684 -5.815 125 2HB ALA 12 2HB ALA 12 -7.713 9.737 -4.753 126 3HB ALA 12 3HB ALA 12 -6.995 8.257 -4.097 127 QB ALA 12 QB ALA 12 -7.153 8.893 -4.889 128 H THR 13 HN THR 13 -8.644 6.405 -3.300 129 HA THR 13 HA THR 13 -10.744 7.807 -1.805 130 HB THR 13 HB THR 13 -11.725 5.636 -1.148 131 HG1 THR 13 1HG THR 13 -11.128 3.775 -2.291 132 1HG2 THR 13 2HG2 THR 13 -12.698 6.900 -3.110 133 2HG2 THR 13 3HG2 THR 13 -11.738 5.873 -4.196 134 3HG2 THR 13 1HG2 THR 13 -12.985 5.150 -3.168 135 QG2 THR 13 QG2 THR 13 -12.474 5.974 -3.491 136 H THR 14 HN THR 14 -10.468 7.371 0.517 137 HA THR 14 HA THR 14 -7.775 6.367 1.307 138 HB THR 14 HB THR 14 -7.899 8.296 2.989 139 HG1 THR 14 1HG THR 14 -10.178 8.706 2.513 140 1HG2 THR 14 3HG2 THR 14 -7.710 9.044 0.037 141 2HG2 THR 14 1HG2 THR 14 -7.092 10.004 1.394 142 3HG2 THR 14 2HG2 THR 14 -6.395 8.402 1.056 143 QG2 THR 14 QG2 THR 14 -7.066 9.150 0.829 144 H LYS 15 HN LYS 15 -7.722 5.557 3.484 145 HA LYS 15 HA LYS 15 -10.142 5.444 5.050 146 1HB LYS 15 2HB LYS 15 -10.345 3.682 3.124 147 2HB LYS 15 3HB LYS 15 -9.177 2.736 4.049 148 1HG LYS 15 2HG LYS 15 -10.675 2.162 5.616 149 2HG LYS 15 3HG LYS 15 -11.523 3.738 5.560 150 1HD LYS 15 2HD LYS 15 -12.483 3.103 3.333 151 2HD LYS 15 3HD LYS 15 -11.837 1.475 3.546 152 1HE LYS 15 2HE LYS 15 -13.859 2.928 5.346 153 2HE LYS 15 3HE LYS 15 -14.250 1.688 4.152 154 1HZ LYS 15 3HZ LYS 15 -12.969 0.114 5.440 155 2HZ LYS 15 1HZ LYS 15 -12.615 1.261 6.566 156 3HZ LYS 15 2HZ LYS 15 -14.167 0.778 6.345 157 QB LYS 15 QB LYS 15 -9.761 3.209 3.587 158 QG LYS 15 QG LYS 15 -11.099 2.950 5.588 159 QD LYS 15 QD LYS 15 -12.160 2.289 3.440 160 QE LYS 15 QE LYS 15 -14.055 2.308 4.749 161 QZ LYS 15 QZ LYS 15 -13.250 0.718 6.117 162 H SER 16 HN SER 16 -9.783 3.880 6.887 163 HA SER 16 HA SER 16 -7.218 4.673 8.074 164 1HB SER 16 2HB SER 16 -9.438 5.113 9.203 165 2HB SER 16 3HB SER 16 -9.520 3.370 9.539 166 HG SER 16 HG SER 16 -8.543 4.563 11.242 167 QB SER 16 QB SER 16 -9.479 4.242 9.371 168 H CYS 17 HN CYS 17 -6.060 3.215 9.413 169 HA CYS 17 HA CYS 17 -5.867 0.350 8.639 170 1HB CYS 17 2HB CYS 17 -4.521 1.482 7.003 171 2HB CYS 17 3HB CYS 17 -3.945 2.630 8.207 172 QB CYS 17 QB CYS 17 -4.233 2.056 7.605 173 H GLU 20 HN GLU 20 -5.013 -0.860 10.373 174 HA GLU 20 HA GLU 20 -4.803 0.522 12.930 175 1HB GLU 20 2HB GLU 20 -4.746 -1.744 13.875 176 2HB GLU 20 3HB GLU 20 -6.160 -1.389 12.875 177 1HG GLU 20 2HG GLU 20 -5.080 -2.699 10.990 178 2HG GLU 20 3HG GLU 20 -3.805 -3.153 12.132 179 QB GLU 20 QB GLU 20 -5.453 -1.566 13.375 180 QG GLU 20 QG GLU 20 -4.442 -2.926 11.561 181 H GLU 21 HN GLU 21 -2.591 -1.544 10.872 182 HA GLU 21 HA GLU 21 -0.274 -1.147 12.377 183 1HB GLU 21 2HB GLU 21 -0.576 -1.210 9.338 184 2HB GLU 21 3HB GLU 21 0.943 -1.317 10.220 185 1HG GLU 21 2HG GLU 21 0.579 -3.507 9.761 186 2HG GLU 21 3HG GLU 21 -0.049 -3.387 11.391 187 QB GLU 21 QB GLU 21 0.183 -1.264 9.779 188 QG GLU 21 QG GLU 21 0.265 -3.447 10.576 189 H ASN 22 HN ASN 22 1.534 0.251 12.001 190 HA ASN 22 HA ASN 22 0.726 3.053 11.573 191 1HB ASN 22 2HB ASN 22 2.084 2.394 13.532 192 2HB ASN 22 3HB ASN 22 3.420 1.970 12.445 193 1HD2 ASN 22 2HD2 ASN 22 4.402 5.376 12.081 194 2HD2 ASN 22 1HD2 ASN 22 4.810 3.688 11.839 195 QB ASN 22 QB ASN 22 2.752 2.182 12.988 196 QD2 ASN 22 QD2 ASN 22 4.606 4.532 11.960 197 H SER 23 HN SER 23 2.176 0.527 9.667 198 HA SER 23 HA SER 23 3.436 2.431 7.756 199 1HB SER 23 2HB SER 23 4.060 0.059 6.759 200 2HB SER 23 3HB SER 23 4.975 0.769 8.083 201 HG SER 23 HG SER 23 4.072 -0.609 9.493 202 QB SER 23 QB SER 23 4.518 0.414 7.421 203 H CYS 24 HN CYS 24 3.112 1.846 5.443 204 HA CYS 24 HA CYS 24 0.590 0.543 4.748 205 1HB CYS 24 2HB CYS 24 1.252 3.336 3.742 206 2HB CYS 24 3HB CYS 24 -0.183 2.377 3.352 207 QB CYS 24 QB CYS 24 0.535 2.856 3.547 208 OH TYR 25 OH TYR 25 -2.062 -5.168 0.403 209 H TYR 25 HN TYR 25 0.578 -0.127 2.516 210 HA TYR 25 HA TYR 25 3.107 0.199 1.065 211 1HB TYR 25 2HB TYR 25 3.217 -2.048 0.422 212 2HB TYR 25 3HB TYR 25 2.938 -2.062 2.154 213 HD1 TYR 25 HD1 TYR 25 1.516 -2.846 -1.183 214 HD2 TYR 25 HD2 TYR 25 0.799 -2.821 3.043 215 HE1 TYR 25 HE1 TYR 25 -0.539 -4.188 -1.524 216 HE2 TYR 25 HE2 TYR 25 -1.104 -4.407 2.733 217 HH TYR 25 HH TYR 25 -2.353 -5.220 -0.508 218 QB TYR 25 QB TYR 25 3.077 -2.055 1.288 219 QR TYR 25 QR TYR 25 0.168 -3.566 0.767 220 H LYS 26 HN LYS 26 3.079 -0.237 -1.138 221 HA LYS 26 HA LYS 26 0.544 0.239 -2.620 222 1HB LYS 26 2HB LYS 26 2.139 2.223 -2.541 223 2HB LYS 26 3HB LYS 26 3.378 1.179 -3.249 224 1HG LYS 26 2HG LYS 26 1.677 0.842 -5.214 225 2HG LYS 26 3HG LYS 26 0.793 2.181 -4.476 226 1HD LYS 26 2HD LYS 26 2.890 3.539 -4.542 227 2HD LYS 26 3HD LYS 26 3.718 2.221 -5.375 228 1HE LYS 26 2HE LYS 26 2.908 2.854 -7.384 229 2HE LYS 26 3HE LYS 26 1.249 2.822 -6.790 230 1HZ LYS 26 1HZ LYS 26 3.092 5.096 -6.425 231 2HZ LYS 26 2HZ LYS 26 1.861 5.039 -7.517 232 3HZ LYS 26 3HZ LYS 26 1.529 5.012 -5.912 233 QB LYS 26 QB LYS 26 2.758 1.701 -2.895 234 QG LYS 26 QG LYS 26 1.235 1.511 -4.845 235 QD LYS 26 QD LYS 26 3.304 2.880 -4.958 236 QE LYS 26 QE LYS 26 2.078 2.838 -7.087 237 QZ LYS 26 QZ LYS 26 2.160 5.049 -6.618 238 H LYS 27 HN LYS 27 0.321 -1.261 -4.300 239 HA LYS 27 HA LYS 27 2.491 -3.191 -4.917 240 1HB LYS 27 2HB LYS 27 -0.229 -3.578 -3.831 241 2HB LYS 27 3HB LYS 27 -0.057 -4.372 -5.384 242 1HG LYS 27 2HG LYS 27 2.125 -4.737 -3.338 243 2HG LYS 27 3HG LYS 27 0.609 -5.571 -3.059 244 1HD LYS 27 2HD LYS 27 1.863 -5.783 -5.809 245 2HD LYS 27 3HD LYS 27 2.588 -6.670 -4.493 246 1HE LYS 27 2HE LYS 27 1.074 -8.226 -5.405 247 2HE LYS 27 3HE LYS 27 0.310 -7.671 -3.928 248 1HZ LYS 27 2HZ LYS 27 -0.313 -6.737 -6.655 249 2HZ LYS 27 3HZ LYS 27 -1.237 -7.751 -5.761 250 3HZ LYS 27 1HZ LYS 27 -1.048 -6.194 -5.287 251 QB LYS 27 QB LYS 27 -0.143 -3.975 -4.607 252 QG LYS 27 QG LYS 27 1.367 -5.154 -3.199 253 QD LYS 27 QD LYS 27 2.226 -6.226 -5.151 254 QE LYS 27 QE LYS 27 0.692 -7.949 -4.666 255 QZ LYS 27 QZ LYS 27 -0.866 -6.894 -5.901 256 OH TYR 28 OH TYR 28 7.667 -0.367 -6.420 257 H TYR 28 HN TYR 28 2.925 -3.236 -7.169 258 HA TYR 28 HA TYR 28 0.865 -2.239 -9.025 259 1HB TYR 28 2HB TYR 28 2.618 -0.692 -9.893 260 2HB TYR 28 3HB TYR 28 1.806 -0.211 -8.421 261 HD1 TYR 28 HD1 TYR 28 3.134 -0.544 -6.173 262 HD2 TYR 28 HD2 TYR 28 4.987 -0.810 -10.056 263 HE1 TYR 28 HE1 TYR 28 5.337 -0.207 -5.137 264 HE2 TYR 28 HE2 TYR 28 7.209 -0.512 -8.999 265 HH TYR 28 HH TYR 28 7.691 -0.664 -5.503 266 QB TYR 28 QB TYR 28 2.212 -0.452 -9.157 267 QR TYR 28 QR TYR 28 5.167 -0.518 -7.591 268 CH2 TRP 29 CH2 TRP 29 -2.431 -6.121 -8.729 269 H TRP 29 HN TRP 29 1.024 -3.183 -11.028 270 HA TRP 29 HA TRP 29 3.577 -4.186 -11.975 271 1HB TRP 29 2HB TRP 29 2.897 -6.453 -12.154 272 2HB TRP 29 3HB TRP 29 2.874 -5.988 -10.466 273 HD1 TRP 29 HD1 TRP 29 0.768 -7.240 -13.312 274 HE1 TRP 29 HE1 TRP 29 -1.629 -7.552 -12.732 275 HE3 TRP 29 HE3 TRP 29 0.801 -5.034 -8.682 276 HZ2 TRP 29 HZ2 TRP 29 -3.335 -7.241 -10.344 277 HZ3 TRP 29 HZ3 TRP 29 -1.321 -4.806 -7.434 278 HH2 TRP 29 HH2 TRP 29 -3.339 -6.074 -8.143 279 QB TRP 29 QB TRP 29 2.885 -6.221 -11.310 280 NH1 ARG 30 NH2 ARG 30 7.137 -5.617 -16.042 281 NH2 ARG 30 NH1 ARG 30 6.927 -6.626 -18.118 282 H ARG 30 HN ARG 30 3.290 -5.122 -14.190 283 HA ARG 30 HA ARG 30 1.566 -3.348 -15.702 284 1HB ARG 30 2HB ARG 30 3.498 -5.352 -16.802 285 2HB ARG 30 3HB ARG 30 2.971 -3.807 -17.453 286 1HG ARG 30 2HG ARG 30 4.154 -2.662 -15.505 287 2HG ARG 30 3HG ARG 30 4.872 -4.227 -15.109 288 1HD ARG 30 2HD ARG 30 5.218 -2.607 -17.650 289 2HD ARG 30 3HD ARG 30 6.460 -2.949 -16.457 290 HE ARG 30 HE ARG 30 5.572 -4.588 -18.672 291 1HH1 ARG 30 2HH2 ARG 30 6.929 -4.841 -15.433 292 2HH1 ARG 30 1HH2 ARG 30 7.685 -6.385 -15.684 293 1HH2 ARG 30 2HH1 ARG 30 6.576 -6.624 -19.065 294 2HH2 ARG 30 1HH1 ARG 30 7.477 -7.416 -17.816 295 QB ARG 30 QB ARG 30 3.234 -4.579 -17.128 296 QG ARG 30 QG ARG 30 4.513 -3.445 -15.307 297 QD ARG 30 QD ARG 30 5.839 -2.778 -17.053 298 QH1 ARG 30 QH2 ARG 30 7.307 -5.613 -15.558 299 QH2 ARG 30 QH1 ARG 30 7.027 -7.020 -18.441 300 H ASP 31 HN ASP 31 -0.198 -4.052 -16.953 301 HA ASP 31 HA ASP 31 -0.653 -6.958 -17.370 302 1HB ASP 31 2HB ASP 31 -2.768 -5.001 -16.410 303 2HB ASP 31 3HB ASP 31 -2.961 -6.748 -16.605 304 QB ASP 31 QB ASP 31 -2.865 -5.875 -16.507 305 H HIS 32 HN HIS 32 -2.911 -6.897 -18.573 306 HA HIS 32 HA HIS 32 -2.901 -5.301 -21.025 307 1HB HIS 32 2HB HIS 32 -5.387 -6.159 -21.014 308 2HB HIS 32 3HB HIS 32 -4.056 -7.259 -21.347 309 HD1 HIS 32 HD1 HIS 32 -4.375 -9.505 -20.172 310 HD2 HIS 32 HD2 HIS 32 -5.735 -6.199 -17.918 311 HE1 HIS 32 HE1 HIS 32 -5.126 -10.421 -17.892 312 HE2 HIS 32 HE2 HIS 32 -5.942 -8.398 -16.536 313 QB HIS 32 QB HIS 32 -4.722 -6.709 -21.180 314 NH1 ARG 33 NH2 ARG 33 -10.143 0.459 -20.458 315 NH2 ARG 33 NH1 ARG 33 -9.979 2.369 -19.155 316 H ARG 33 HN ARG 33 -4.323 -3.498 -21.436 317 HA ARG 33 HA ARG 33 -5.504 -1.748 -21.143 318 1HB ARG 33 2HB ARG 33 -6.952 -3.220 -19.542 319 2HB ARG 33 3HB ARG 33 -6.132 -2.320 -18.240 320 1HG ARG 33 2HG ARG 33 -6.713 -0.216 -19.523 321 2HG ARG 33 3HG ARG 33 -7.686 -1.219 -20.611 322 1HD ARG 33 2HD ARG 33 -9.311 -1.667 -18.859 323 2HD ARG 33 3HD ARG 33 -8.142 -1.292 -17.601 324 HE ARG 33 HE ARG 33 -8.643 0.888 -17.634 325 1HH1 ARG 33 2HH2 ARG 33 -9.907 -0.511 -20.600 326 2HH1 ARG 33 1HH2 ARG 33 -10.708 0.931 -21.148 327 1HH2 ARG 33 2HH1 ARG 33 -9.628 2.849 -18.339 328 2HH2 ARG 33 1HH1 ARG 33 -10.528 2.898 -19.817 329 QB ARG 33 QB ARG 33 -6.542 -2.770 -18.891 330 QG ARG 33 QG ARG 33 -7.200 -0.717 -20.067 331 QD ARG 33 QD ARG 33 -8.726 -1.480 -18.230 332 QH1 ARG 33 QH2 ARG 33 -10.308 0.210 -20.874 333 QH2 ARG 33 QH1 ARG 33 -10.078 2.873 -19.078 334 H GLY 34 HN GLY 34 -3.245 -2.541 -18.540 335 1HA GLY 34 1HA GLY 34 -1.583 -0.301 -18.825 336 2HA GLY 34 2HA GLY 34 -2.848 0.169 -17.671 337 QA GLY 34 QA GLY 34 -2.215 -0.066 -18.248 338 H THR 35 HN THR 35 -1.112 0.311 -16.135 339 HA THR 35 HA THR 35 -0.110 -2.260 -15.066 340 HB THR 35 HB THR 35 1.478 -0.409 -15.441 341 HG1 THR 35 1HG THR 35 2.437 -0.450 -13.396 342 1HG2 THR 35 3HG2 THR 35 -0.036 1.546 -14.914 343 2HG2 THR 35 1HG2 THR 35 0.117 1.117 -13.200 344 3HG2 THR 35 2HG2 THR 35 1.544 1.598 -14.123 345 QG2 THR 35 QG2 THR 35 0.542 1.421 -14.079 346 H ILE 36 HN ILE 36 -1.568 -3.333 -13.663 347 HA ILE 36 HA ILE 36 -3.698 -1.708 -12.507 348 HB ILE 36 HB ILE 36 -2.885 -4.581 -12.228 349 1HG1 ILE 36 2HG1 ILE 36 -5.406 -4.830 -12.636 350 2HG1 ILE 36 3HG1 ILE 36 -5.542 -3.076 -12.694 351 1HG2 ILE 36 1HG2 ILE 36 -4.830 -3.194 -10.330 352 2HG2 ILE 36 2HG2 ILE 36 -4.584 -4.934 -10.481 353 3HG2 ILE 36 3HG2 ILE 36 -3.278 -3.914 -9.885 354 1HD1 ILE 36 2HD1 ILE 36 -4.009 -3.153 -14.757 355 2HD1 ILE 36 3HD1 ILE 36 -4.214 -4.923 -14.667 356 3HD1 ILE 36 1HD1 ILE 36 -5.613 -3.884 -14.926 357 QG1 ILE 36 QG1 ILE 36 -5.474 -3.953 -12.665 358 QG2 ILE 36 QG2 ILE 36 -4.231 -4.014 -10.232 359 QD1 ILE 36 QD1 ILE 36 -4.612 -3.987 -14.783 360 H ILE 37 HN ILE 37 -3.827 -0.800 -10.506 361 HA ILE 37 HA ILE 37 -1.350 -0.833 -8.824 362 HB ILE 37 HB ILE 37 -3.491 1.320 -9.099 363 1HG1 ILE 37 2HG1 ILE 37 -2.126 1.262 -11.170 364 2HG1 ILE 37 3HG1 ILE 37 -1.913 2.725 -10.226 365 1HG2 ILE 37 2HG2 ILE 37 -0.959 1.037 -7.446 366 2HG2 ILE 37 3HG2 ILE 37 -1.634 2.606 -7.902 367 3HG2 ILE 37 1HG2 ILE 37 -2.603 1.463 -6.930 368 1HD1 ILE 37 2HD1 ILE 37 0.239 1.819 -9.311 369 2HD1 ILE 37 3HD1 ILE 37 0.025 0.376 -10.337 370 3HD1 ILE 37 1HD1 ILE 37 0.231 1.980 -11.067 371 QG1 ILE 37 QG1 ILE 37 -2.019 1.994 -10.698 372 QG2 ILE 37 QG2 ILE 37 -1.732 1.702 -7.426 373 QD1 ILE 37 QD1 ILE 37 0.165 1.392 -10.239 374 H GLU 38 HN GLU 38 -1.693 -1.500 -6.723 375 HA GLU 38 HA GLU 38 -4.434 -1.571 -5.664 376 1HB GLU 38 2HB GLU 38 -3.806 -3.877 -6.609 377 2HB GLU 38 3HB GLU 38 -2.468 -3.905 -5.438 378 1HG GLU 38 2HG GLU 38 -4.369 -5.170 -4.571 379 2HG GLU 38 3HG GLU 38 -4.197 -3.709 -3.589 380 QB GLU 38 QB GLU 38 -3.137 -3.891 -6.023 381 QG GLU 38 QG GLU 38 -4.283 -4.439 -4.080 382 NH1 ARG 39 NH2 ARG 39 -1.153 4.133 -5.990 383 NH2 ARG 39 NH1 ARG 39 -3.303 4.291 -6.804 384 H ARG 39 HN ARG 39 -4.366 -1.176 -3.294 385 HA ARG 39 HA ARG 39 -1.657 -0.601 -2.219 386 1HB ARG 39 2HB ARG 39 -4.085 1.254 -2.197 387 2HB ARG 39 3HB ARG 39 -2.518 1.482 -1.420 388 1HG ARG 39 2HG ARG 39 -1.507 1.200 -3.798 389 2HG ARG 39 3HG ARG 39 -3.175 1.402 -4.384 390 1HD ARG 39 2HD ARG 39 -2.699 3.498 -2.532 391 2HD ARG 39 3HD ARG 39 -1.209 3.339 -3.464 392 HE ARG 39 HE ARG 39 -3.840 4.259 -4.318 393 1HH1 ARG 39 2HH2 ARG 39 -0.551 4.005 -5.171 394 2HH1 ARG 39 1HH2 ARG 39 -0.795 4.953 -6.485 395 1HH2 ARG 39 2HH1 ARG 39 -4.233 3.906 -6.722 396 2HH2 ARG 39 1HH1 ARG 39 -2.932 4.458 -7.731 397 QB ARG 39 QB ARG 39 -3.302 1.368 -1.809 398 QG ARG 39 QG ARG 39 -2.341 1.301 -4.091 399 QD ARG 39 QD ARG 39 -1.954 3.419 -2.998 400 QH1 ARG 39 QH2 ARG 39 -0.673 4.479 -5.828 401 QH2 ARG 39 QH1 ARG 39 -3.583 4.182 -7.227 402 H GLY 40 HN GLY 40 -1.531 -0.731 0.071 403 1HA GLY 40 1HA GLY 40 -3.898 -1.244 1.581 404 2HA GLY 40 2HA GLY 40 -3.037 -2.762 1.268 405 QA GLY 40 QA GLY 40 -3.467 -2.003 1.424 406 H CYS 41 HN CYS 41 -2.881 -2.539 3.732 407 HA CYS 41 HA CYS 41 -1.382 -0.161 4.666 408 1HB CYS 41 2HB CYS 41 -3.248 0.128 5.646 409 2HB CYS 41 3HB CYS 41 -3.845 -1.514 5.382 410 QB CYS 41 QB CYS 41 -3.547 -0.693 5.514 411 H GLY 42 HN GLY 42 -0.207 -0.551 6.837 412 1HA GLY 42 1HA GLY 42 1.442 -1.758 8.030 413 2HA GLY 42 2HA GLY 42 0.790 -3.234 7.326 414 QA GLY 42 QA GLY 42 1.116 -2.496 7.678 415 H CYS 43 HN CYS 43 2.914 -4.087 6.837 416 HA CYS 43 HA CYS 43 3.827 -3.232 4.188 417 1HB CYS 43 2HB CYS 43 5.170 -1.775 5.616 418 2HB CYS 43 3HB CYS 43 5.806 -3.178 6.482 419 QB CYS 43 QB CYS 43 5.488 -2.476 6.049 420 HA PRO 44 HA PRO 44 4.079 -7.805 5.016 421 1HB PRO 44 2HB PRO 44 2.142 -8.714 3.337 422 2HB PRO 44 3HB PRO 44 1.741 -8.013 4.933 423 1HG PRO 44 2HG PRO 44 1.715 -6.608 2.242 424 2HG PRO 44 3HG PRO 44 0.415 -6.639 3.470 425 1HD PRO 44 2HD PRO 44 2.266 -4.612 3.278 426 2HD PRO 44 3HD PRO 44 1.562 -5.116 4.846 427 QB PRO 44 QB PRO 44 1.941 -8.363 4.135 428 QG PRO 44 QG PRO 44 1.065 -6.624 2.856 429 QD PRO 44 QD PRO 44 1.914 -4.864 4.062 430 H LYS 45 HN LYS 45 4.592 -9.510 3.368 431 HA LYS 45 HA LYS 45 6.150 -8.441 1.082 432 1HB LYS 45 2HB LYS 45 7.247 -9.949 2.542 433 2HB LYS 45 3HB LYS 45 5.968 -11.170 2.393 434 1HG LYS 45 2HG LYS 45 6.606 -11.619 0.095 435 2HG LYS 45 3HG LYS 45 7.806 -10.309 0.102 436 1HD LYS 45 2HD LYS 45 7.839 -12.626 2.078 437 2HD LYS 45 3HD LYS 45 8.582 -12.791 0.497 438 1HE LYS 45 2HE LYS 45 9.384 -10.419 2.231 439 2HE LYS 45 3HE LYS 45 9.975 -12.023 2.663 440 1HZ LYS 45 3HZ LYS 45 10.356 -10.785 0.021 441 2HZ LYS 45 1HZ LYS 45 11.475 -10.830 1.227 442 3HZ LYS 45 2HZ LYS 45 10.967 -12.228 0.531 443 QB LYS 45 QB LYS 45 6.608 -10.559 2.468 444 QG LYS 45 QG LYS 45 7.206 -10.964 0.098 445 QD LYS 45 QD LYS 45 8.211 -12.709 1.288 446 QE LYS 45 QE LYS 45 9.679 -11.221 2.447 447 QZ LYS 45 QZ LYS 45 10.933 -11.281 0.593 448 H VAL 46 HN VAL 46 5.941 -9.545 -0.932 449 HA VAL 46 HA VAL 46 3.206 -10.538 -1.612 450 HB VAL 46 HB VAL 46 3.131 -9.011 -3.515 451 1HG1 VAL 46 2HG1 VAL 46 2.155 -8.280 -1.360 452 2HG1 VAL 46 3HG1 VAL 46 3.684 -7.497 -0.916 453 3HG1 VAL 46 1HG1 VAL 46 2.767 -6.905 -2.288 454 1HG2 VAL 46 1HG2 VAL 46 5.639 -8.795 -3.848 455 2HG2 VAL 46 2HG2 VAL 46 4.750 -7.283 -3.899 456 3HG2 VAL 46 3HG2 VAL 46 5.676 -7.712 -2.445 457 QG1 VAL 46 QG1 VAL 46 2.869 -7.560 -1.521 458 QG2 VAL 46 QG2 VAL 46 5.355 -7.930 -3.397 459 QQG VAL 46 QQG VAL 46 4.112 -7.745 -2.459 460 H LYS 47 HN LYS 47 3.381 -10.970 -4.221 461 HA LYS 47 HA LYS 47 5.213 -13.230 -4.401 462 1HB LYS 47 2HB LYS 47 4.176 -13.381 -6.749 463 2HB LYS 47 3HB LYS 47 3.144 -13.722 -5.368 464 1HG LYS 47 2HG LYS 47 3.217 -10.893 -6.407 465 2HG LYS 47 3HG LYS 47 2.465 -12.077 -7.444 466 1HD LYS 47 2HD LYS 47 1.584 -12.169 -4.557 467 2HD LYS 47 3HD LYS 47 1.148 -10.727 -5.467 468 1HE LYS 47 2HE LYS 47 -0.646 -12.380 -5.580 469 2HE LYS 47 3HE LYS 47 0.011 -12.019 -7.181 470 1HZ LYS 47 1HZ LYS 47 1.276 -14.069 -7.041 471 2HZ LYS 47 2HZ LYS 47 0.637 -14.406 -5.562 472 3HZ LYS 47 3HZ LYS 47 -0.334 -14.354 -6.887 473 QB LYS 47 QB LYS 47 3.660 -13.552 -6.059 474 QG LYS 47 QG LYS 47 2.841 -11.485 -6.926 475 QD LYS 47 QD LYS 47 1.366 -11.448 -5.012 476 QE LYS 47 QE LYS 47 -0.318 -12.200 -6.381 477 QZ LYS 47 QZ LYS 47 0.527 -14.276 -6.497 478 HA PRO 48 HA PRO 48 8.424 -10.987 -6.501 479 1HB PRO 48 2HB PRO 48 9.593 -12.890 -8.090 480 2HB PRO 48 3HB PRO 48 9.696 -12.932 -6.307 481 1HG PRO 48 2HG PRO 48 7.721 -14.407 -8.074 482 2HG PRO 48 3HG PRO 48 8.748 -15.095 -6.781 483 1HD PRO 48 2HD PRO 48 6.169 -14.408 -6.326 484 2HD PRO 48 3HD PRO 48 7.406 -14.088 -5.081 485 QB PRO 48 QB PRO 48 9.644 -12.911 -7.198 486 QG PRO 48 QG PRO 48 8.235 -14.751 -7.427 487 QD PRO 48 QD PRO 48 6.788 -14.248 -5.704 488 H GLY 49 HN GLY 49 9.125 -10.287 -8.703 489 1HA GLY 49 1HA GLY 49 8.728 -9.454 -10.771 490 2HA GLY 49 2HA GLY 49 7.698 -10.862 -11.056 491 QA GLY 49 QA GLY 49 8.213 -10.158 -10.914 492 H VAL 50 HN VAL 50 6.825 -8.845 -8.364 493 HA VAL 50 HA VAL 50 4.870 -7.211 -9.894 494 HB VAL 50 HB VAL 50 4.383 -8.841 -7.339 495 1HG1 VAL 50 3HG1 VAL 50 3.216 -6.553 -7.488 496 2HG1 VAL 50 1HG1 VAL 50 2.310 -7.240 -8.854 497 3HG1 VAL 50 2HG1 VAL 50 2.197 -7.989 -7.275 498 1HG2 VAL 50 2HG2 VAL 50 3.319 -9.142 -10.185 499 2HG2 VAL 50 3HG2 VAL 50 4.232 -10.337 -9.245 500 3HG2 VAL 50 1HG2 VAL 50 2.578 -9.924 -8.778 501 QG1 VAL 50 QG1 VAL 50 2.574 -7.261 -7.872 502 QG2 VAL 50 QG2 VAL 50 3.376 -9.801 -9.402 503 QQG VAL 50 QQG VAL 50 2.975 -8.531 -8.637 504 H GLY 51 HN GLY 51 5.100 -5.016 -9.193 505 1HA GLY 51 1HA GLY 51 7.306 -4.549 -7.469 506 2HA GLY 51 2HA GLY 51 6.328 -3.295 -8.187 507 QA GLY 51 QA GLY 51 6.817 -3.922 -7.828 508 H ILE 52 HN ILE 52 7.205 -3.181 -5.697 509 HA ILE 52 HA ILE 52 4.798 -2.944 -4.102 510 HB ILE 52 HB ILE 52 5.481 -5.256 -3.686 511 1HG1 ILE 52 2HG1 ILE 52 4.505 -3.654 -1.863 512 2HG1 ILE 52 3HG1 ILE 52 4.963 -5.318 -1.524 513 1HG2 ILE 52 2HG2 ILE 52 7.862 -5.153 -4.095 514 2HG2 ILE 52 3HG2 ILE 52 8.117 -4.166 -2.646 515 3HG2 ILE 52 1HG2 ILE 52 7.539 -5.839 -2.500 516 1HD1 ILE 52 2HD1 ILE 52 6.817 -2.995 -0.896 517 2HD1 ILE 52 3HD1 ILE 52 5.657 -3.708 0.233 518 3HD1 ILE 52 1HD1 ILE 52 6.975 -4.691 -0.415 519 QG1 ILE 52 QG1 ILE 52 4.734 -4.486 -1.694 520 QG2 ILE 52 QG2 ILE 52 7.839 -5.053 -3.080 521 QD1 ILE 52 QD1 ILE 52 6.483 -3.798 -0.359 522 H HIS 53 HN HIS 53 5.119 -1.390 -2.352 523 HA HIS 53 HA HIS 53 7.794 -0.774 -1.506 524 1HB HIS 53 2HB HIS 53 7.467 0.820 -3.513 525 2HB HIS 53 3HB HIS 53 6.187 1.589 -2.582 526 HD1 HIS 53 HD1 HIS 53 7.060 2.932 -0.290 527 HD2 HIS 53 HD2 HIS 53 10.017 1.144 -2.720 528 HE1 HIS 53 HE1 HIS 53 9.305 3.816 0.537 529 HE2 HIS 53 HE2 HIS 53 11.105 2.738 -0.948 530 QB HIS 53 QB HIS 53 6.827 1.204 -3.048 531 H CYS 54 HN CYS 54 7.627 0.285 0.704 532 HA CYS 54 HA CYS 54 4.936 1.028 1.499 533 1HB CYS 54 2HB CYS 54 4.945 -0.413 3.359 534 2HB CYS 54 3HB CYS 54 5.517 -1.419 2.053 535 QB CYS 54 QB CYS 54 5.231 -0.916 2.706 536 H CYS 55 HN CYS 55 4.882 2.111 3.612 537 HA CYS 55 HA CYS 55 7.141 3.808 4.273 538 1HB CYS 55 2HB CYS 55 5.979 5.862 3.409 539 2HB CYS 55 3HB CYS 55 6.676 4.806 2.206 540 QB CYS 55 QB CYS 55 6.328 5.334 2.808 541 H GLN 56 HN GLN 56 6.470 5.482 5.764 542 HA GLN 56 HA GLN 56 4.505 4.293 7.673 543 1HB GLN 56 2HB GLN 56 7.025 5.858 8.305 544 2HB GLN 56 3HB GLN 56 6.003 4.928 9.397 545 1HG GLN 56 2HG GLN 56 7.831 3.533 9.048 546 2HG GLN 56 3HG GLN 56 6.565 2.856 8.012 547 1HE2 GLN 56 2HE2 GLN 56 9.469 2.734 5.832 548 2HE2 GLN 56 1HE2 GLN 56 8.681 1.828 7.107 549 QB GLN 56 QB GLN 56 6.514 5.393 8.851 550 QG GLN 56 QG GLN 56 7.198 3.195 8.530 551 QE2 GLN 56 QE2 GLN 56 9.075 2.281 6.470 552 H SER 57 HN SER 57 3.882 6.560 5.755 553 HA SER 57 HA SER 57 3.190 8.659 7.773 554 1HB SER 57 2HB SER 57 3.557 10.078 5.486 555 2HB SER 57 3HB SER 57 4.791 9.790 6.723 556 HG SER 57 HG SER 57 5.608 9.268 4.689 557 QB SER 57 QB SER 57 4.174 9.934 6.105 558 H ASP 58 HN ASP 58 1.391 10.022 7.339 559 HA ASP 58 HA ASP 58 -0.869 8.451 6.654 560 1HB ASP 58 2HB ASP 58 -0.470 10.730 8.100 561 2HB ASP 58 3HB ASP 58 -1.486 11.276 6.742 562 QB ASP 58 QB ASP 58 -0.978 11.003 7.421 563 H LYS 59 HN LYS 59 -1.917 8.253 4.851 564 HA LYS 59 HA LYS 59 -2.076 8.038 2.488 565 1HB LYS 59 2HB LYS 59 -2.128 11.060 2.823 566 2HB LYS 59 3HB LYS 59 -2.561 10.225 1.358 567 1HG LYS 59 2HG LYS 59 -4.594 9.774 2.029 568 2HG LYS 59 3HG LYS 59 -4.028 8.953 3.473 569 1HD LYS 59 2HD LYS 59 -4.498 11.961 3.220 570 2HD LYS 59 3HD LYS 59 -5.596 10.785 3.969 571 1HE LYS 59 2HE LYS 59 -3.650 10.095 5.497 572 2HE LYS 59 3HE LYS 59 -2.780 11.527 4.899 573 1HZ LYS 59 2HZ LYS 59 -5.372 11.614 6.272 574 2HZ LYS 59 3HZ LYS 59 -3.936 11.713 7.038 575 3HZ LYS 59 1HZ LYS 59 -4.399 12.884 5.917 576 QB LYS 59 QB LYS 59 -2.344 10.642 2.091 577 QG LYS 59 QG LYS 59 -4.311 9.363 2.751 578 QD LYS 59 QD LYS 59 -5.047 11.373 3.595 579 QE LYS 59 QE LYS 59 -3.215 10.811 5.198 580 QZ LYS 59 QZ LYS 59 -4.569 12.070 6.409 581 H CYS 60 HN CYS 60 0.626 7.770 3.419 582 HA CYS 60 HA CYS 60 2.346 9.131 1.553 583 1HB CYS 60 2HB CYS 60 4.077 7.763 2.423 584 2HB CYS 60 3HB CYS 60 2.982 8.196 3.727 585 QB CYS 60 QB CYS 60 3.529 7.979 3.075 586 H ASN 61 HN ASN 61 0.540 6.087 1.440 587 HA ASN 61 HA ASN 61 2.117 5.043 -0.773 588 1HB ASN 61 2HB ASN 61 0.902 3.018 -0.407 589 2HB ASN 61 3HB ASN 61 1.451 3.630 1.156 590 1HD2 ASN 61 2HD2 ASN 61 -2.304 2.559 0.972 591 2HD2 ASN 61 1HD2 ASN 61 -0.819 1.748 0.482 592 QB ASN 61 QB ASN 61 1.176 3.324 0.375 593 QD2 ASN 61 QD2 ASN 61 -1.561 2.153 0.727 594 OH TYR 62 OH TYR 62 -4.649 11.676 -5.156 595 H TYR 62 HN TYR 62 1.143 7.170 -1.973 596 HA TYR 62 HA TYR 62 -1.407 6.512 -3.372 597 1HB TYR 62 2HB TYR 62 0.288 8.835 -2.932 598 2HB TYR 62 3HB TYR 62 0.387 8.428 -4.632 599 HD1 TYR 62 HD2 TYR 62 -2.711 7.590 -4.672 600 HD2 TYR 62 HD1 TYR 62 -0.345 11.055 -3.816 601 HE1 TYR 62 HE2 TYR 62 -4.673 9.056 -5.163 602 HE2 TYR 62 HE1 TYR 62 -2.241 12.517 -4.461 603 HH TYR 62 HH TYR 62 -5.380 11.181 -5.527 604 QB TYR 62 QB TYR 62 0.338 8.632 -3.782 605 QR TYR 62 QR TYR 62 -2.493 10.054 -4.528 Start of MODEL 16 Raw file had 605 H/Q atoms Start of MODEL 16 1 NH1 ARG 1 NH2 ARG 1 1.359 7.989 10.790 2 NH2 ARG 1 NH1 ARG 1 2.922 6.470 9.981 3 H ARG 1 HN ARG 1 -3.970 4.530 13.045 4 HA ARG 1 HA ARG 1 -3.306 6.244 11.447 5 1HB ARG 1 2HB ARG 1 -1.901 4.219 11.719 6 2HB ARG 1 3HB ARG 1 -2.831 3.386 10.491 7 1HG ARG 1 2HG ARG 1 -0.775 4.004 9.602 8 2HG ARG 1 3HG ARG 1 -1.972 4.949 8.749 9 1HD ARG 1 2HD ARG 1 -1.109 6.930 9.524 10 2HD ARG 1 3HD ARG 1 -0.906 6.338 11.175 11 HE ARG 1 HE ARG 1 1.017 5.054 9.524 12 1HH1 ARG 1 2HH2 ARG 1 0.380 8.295 10.816 13 2HH1 ARG 1 1HH2 ARG 1 2.033 8.727 10.928 14 1HH2 ARG 1 2HH1 ARG 1 3.067 5.500 9.697 15 2HH2 ARG 1 1HH1 ARG 1 3.726 7.087 10.032 16 QB ARG 1 QB ARG 1 -2.366 3.802 11.105 17 QG ARG 1 QG ARG 1 -1.373 4.476 9.176 18 QD ARG 1 QD ARG 1 -1.007 6.634 10.349 19 QH1 ARG 1 QH2 ARG 1 1.206 8.511 10.872 20 QH2 ARG 1 QH1 ARG 1 3.397 6.294 9.864 21 H ILE 2 HN ILE 2 -3.271 6.740 8.977 22 HA ILE 2 HA ILE 2 -5.811 5.936 7.633 23 HB ILE 2 HB ILE 2 -4.428 8.630 7.488 24 1HG1 ILE 2 2HG1 ILE 2 -5.471 8.422 9.699 25 2HG1 ILE 2 3HG1 ILE 2 -6.225 9.639 8.687 26 1HG2 ILE 2 1HG2 ILE 2 -7.035 7.606 6.290 27 2HG2 ILE 2 2HG2 ILE 2 -6.517 9.308 6.279 28 3HG2 ILE 2 3HG2 ILE 2 -5.576 8.085 5.412 29 1HD1 ILE 2 1HD1 ILE 2 -7.385 6.851 9.119 30 2HD1 ILE 2 2HD1 ILE 2 -7.866 8.318 9.982 31 3HD1 ILE 2 3HD1 ILE 2 -8.144 8.198 8.241 32 QG1 ILE 2 QG1 ILE 2 -5.848 9.030 9.193 33 QG2 ILE 2 QG2 ILE 2 -6.376 8.333 5.993 34 QD1 ILE 2 QD1 ILE 2 -7.798 7.789 9.114 35 H CYS 3 HN CYS 3 -5.544 5.268 5.519 36 HA CYS 3 HA CYS 3 -2.947 5.780 4.174 37 1HB CYS 3 2HB CYS 3 -4.236 3.038 4.497 38 2HB CYS 3 3HB CYS 3 -2.934 3.414 3.367 39 QB CYS 3 QB CYS 3 -3.585 3.226 3.932 40 OH TYR 4 OH TYR 4 -4.774 11.553 -0.556 41 H TYR 4 HN TYR 4 -3.152 5.252 1.822 42 HA TYR 4 HA TYR 4 -5.929 5.629 0.821 43 1HB TYR 4 2HB TYR 4 -3.233 5.574 -0.583 44 2HB TYR 4 3HB TYR 4 -4.734 5.529 -1.407 45 HD1 TYR 4 HD1 TYR 4 -6.537 7.386 -0.638 46 HD2 TYR 4 HD2 TYR 4 -2.291 7.771 -0.066 47 HE1 TYR 4 HE1 TYR 4 -6.738 9.839 -0.878 48 HE2 TYR 4 HE2 TYR 4 -2.535 10.228 -0.067 49 HH TYR 4 HH TYR 4 -3.939 11.986 -0.744 50 QB TYR 4 QB TYR 4 -3.983 5.551 -0.995 51 QR TYR 4 QR TYR 4 -4.525 8.806 -0.412 52 H ASN 5 HN ASN 5 -7.077 4.020 -0.058 53 HA ASN 5 HA ASN 5 -5.711 1.387 -0.492 54 1HB ASN 5 2HB ASN 5 -7.710 0.275 0.060 55 2HB ASN 5 3HB ASN 5 -7.388 1.397 1.389 56 1HD2 ASN 5 2HD2 ASN 5 -10.956 1.565 -0.289 57 2HD2 ASN 5 1HD2 ASN 5 -9.877 0.175 -0.181 58 QB ASN 5 QB ASN 5 -7.549 0.836 0.724 59 QD2 ASN 5 QD2 ASN 5 -10.417 0.870 -0.235 60 H HIS 6 HN HIS 6 -6.232 3.941 -2.197 61 HA HIS 6 HA HIS 6 -8.169 3.097 -4.122 62 1HB HIS 6 2HB HIS 6 -7.141 4.861 -5.580 63 2HB HIS 6 3HB HIS 6 -7.981 5.293 -4.101 64 HD1 HIS 6 HD1 HIS 6 -6.788 7.404 -3.077 65 HD2 HIS 6 HD2 HIS 6 -4.198 4.591 -4.797 66 HE1 HIS 6 HE1 HIS 6 -4.417 8.439 -3.014 67 HE2 HIS 6 HE2 HIS 6 -2.854 6.708 -3.941 68 QB HIS 6 QB HIS 6 -7.561 5.077 -4.841 69 H GLN 7 HN GLN 7 -8.050 1.895 -5.802 70 HA GLN 7 HA GLN 7 -5.546 0.429 -6.515 71 1HB GLN 7 2HB GLN 7 -7.230 -0.956 -5.481 72 2HB GLN 7 3HB GLN 7 -8.511 -0.270 -6.475 73 1HG GLN 7 2HG GLN 7 -7.646 -1.459 -8.460 74 2HG GLN 7 3HG GLN 7 -6.274 -2.060 -7.502 75 1HE2 GLN 7 2HE2 GLN 7 -10.003 -3.580 -6.598 76 2HE2 GLN 7 1HE2 GLN 7 -9.878 -1.882 -7.020 77 QB GLN 7 QB GLN 7 -7.870 -0.613 -5.978 78 QG GLN 7 QG GLN 7 -6.960 -1.760 -7.981 79 QE2 GLN 7 QE2 GLN 7 -9.941 -2.731 -6.809 80 H SER 8 HN SER 8 -5.669 -0.274 -8.957 81 HA SER 8 HA SER 8 -5.973 1.957 -10.635 82 1HB SER 8 2HB SER 8 -5.737 -0.977 -11.200 83 2HB SER 8 3HB SER 8 -6.083 0.159 -12.515 84 HG SER 8 HG SER 8 -4.267 1.297 -12.121 85 QB SER 8 QB SER 8 -5.910 -0.409 -11.857 86 H THR 9 HN THR 9 -8.324 2.522 -9.818 87 HA THR 9 HA THR 9 -10.321 1.560 -11.764 88 HB THR 9 HB THR 9 -10.565 -0.156 -10.104 89 HG1 THR 9 1HG THR 9 -12.560 1.827 -9.885 90 1HG2 THR 9 2HG2 THR 9 -9.570 0.941 -8.126 91 2HG2 THR 9 3HG2 THR 9 -10.970 2.020 -7.997 92 3HG2 THR 9 1HG2 THR 9 -11.175 0.275 -7.780 93 QG2 THR 9 QG2 THR 9 -10.572 1.079 -7.967 94 H THR 10 HN THR 10 -9.301 3.935 -11.931 95 HA THR 10 HA THR 10 -9.814 6.214 -11.944 96 HB THR 10 HB THR 10 -11.851 6.778 -12.667 97 HG1 THR 10 1HG THR 10 -13.691 5.307 -12.340 98 1HG2 THR 10 1HG2 THR 10 -10.714 5.099 -14.123 99 2HG2 THR 10 2HG2 THR 10 -11.715 3.824 -13.385 100 3HG2 THR 10 3HG2 THR 10 -12.477 5.129 -14.309 101 QG2 THR 10 QG2 THR 10 -11.635 4.684 -13.939 102 NH1 ARG 11 NH2 ARG 11 -14.450 9.960 -4.881 103 NH2 ARG 11 NH1 ARG 11 -16.263 8.517 -4.870 104 H ARG 11 HN ARG 11 -12.346 6.871 -10.563 105 HA ARG 11 HA ARG 11 -11.153 8.665 -8.836 106 1HB ARG 11 2HB ARG 11 -13.577 8.656 -9.719 107 2HB ARG 11 3HB ARG 11 -13.973 7.722 -8.263 108 1HG ARG 11 2HG ARG 11 -12.808 9.613 -6.938 109 2HG ARG 11 3HG ARG 11 -12.696 10.498 -8.462 110 1HD ARG 11 2HD ARG 11 -14.657 11.326 -7.304 111 2HD ARG 11 3HD ARG 11 -15.171 10.400 -8.704 112 HE ARG 11 HE ARG 11 -16.265 8.940 -7.350 113 1HH1 ARG 11 2HH2 ARG 11 -13.824 10.559 -5.396 114 2HH1 ARG 11 1HH2 ARG 11 -14.277 9.819 -3.896 115 1HH2 ARG 11 2HH1 ARG 11 -16.998 8.022 -5.356 116 2HH2 ARG 11 1HH1 ARG 11 -16.197 8.406 -3.870 117 QB ARG 11 QB ARG 11 -13.775 8.189 -8.991 118 QG ARG 11 QG ARG 11 -12.752 10.056 -7.700 119 QD ARG 11 QD ARG 11 -14.914 10.863 -8.004 120 QH1 ARG 11 QH2 ARG 11 -14.051 10.189 -4.646 121 QH2 ARG 11 QH1 ARG 11 -16.597 8.214 -4.613 122 H ALA 12 HN ALA 12 -10.442 8.751 -6.796 123 HA ALA 12 HA ALA 12 -9.946 6.125 -5.577 124 1HB ALA 12 3HB ALA 12 -8.528 8.819 -5.667 125 2HB ALA 12 1HB ALA 12 -8.012 7.504 -4.631 126 3HB ALA 12 2HB ALA 12 -8.028 7.272 -6.388 127 QB ALA 12 QB ALA 12 -8.189 7.865 -5.562 128 H THR 13 HN THR 13 -9.537 5.930 -3.238 129 HA THR 13 HA THR 13 -11.133 7.696 -1.471 130 HB THR 13 HB THR 13 -11.772 5.525 -0.356 131 HG1 THR 13 1HG THR 13 -10.145 4.174 -1.137 132 1HG2 THR 13 3HG2 THR 13 -13.286 6.617 -2.017 133 2HG2 THR 13 1HG2 THR 13 -12.566 5.621 -3.303 134 3HG2 THR 13 2HG2 THR 13 -13.453 4.849 -1.978 135 QG2 THR 13 QG2 THR 13 -13.102 5.695 -2.433 136 H THR 14 HN THR 14 -10.317 7.904 0.653 137 HA THR 14 HA THR 14 -7.770 6.642 1.443 138 HB THR 14 HB THR 14 -8.496 7.935 3.606 139 HG1 THR 14 1HG THR 14 -9.986 9.592 3.182 140 1HG2 THR 14 2HG2 THR 14 -6.675 8.714 2.088 141 2HG2 THR 14 3HG2 THR 14 -7.896 9.599 1.133 142 3HG2 THR 14 1HG2 THR 14 -7.585 10.050 2.819 143 QG2 THR 14 QG2 THR 14 -7.385 9.454 2.013 144 H LYS 15 HN LYS 15 -7.832 5.394 3.501 145 HA LYS 15 HA LYS 15 -10.357 4.702 4.685 146 1HB LYS 15 2HB LYS 15 -8.861 2.700 3.001 147 2HB LYS 15 3HB LYS 15 -9.441 2.130 4.534 148 1HG LYS 15 2HG LYS 15 -11.604 3.587 3.280 149 2HG LYS 15 3HG LYS 15 -10.962 2.469 2.114 150 1HD LYS 15 2HD LYS 15 -11.904 1.851 4.963 151 2HD LYS 15 3HD LYS 15 -12.846 1.571 3.507 152 1HE LYS 15 2HE LYS 15 -10.273 0.100 4.302 153 2HE LYS 15 3HE LYS 15 -11.920 -0.526 4.379 154 1HZ LYS 15 3HZ LYS 15 -10.532 0.270 1.922 155 2HZ LYS 15 1HZ LYS 15 -10.760 -1.278 2.435 156 3HZ LYS 15 2HZ LYS 15 -12.050 -0.358 2.000 157 QB LYS 15 QB LYS 15 -9.151 2.415 3.767 158 QG LYS 15 QG LYS 15 -11.283 3.028 2.697 159 QD LYS 15 QD LYS 15 -12.375 1.711 4.235 160 QE LYS 15 QE LYS 15 -11.097 -0.213 4.341 161 QZ LYS 15 QZ LYS 15 -11.114 -0.455 2.119 162 H SER 16 HN SER 16 -9.801 3.229 6.654 163 HA SER 16 HA SER 16 -7.516 4.603 7.934 164 1HB SER 16 2HB SER 16 -9.690 4.525 9.110 165 2HB SER 16 3HB SER 16 -9.496 2.762 9.287 166 HG SER 16 HG SER 16 -7.524 4.648 10.119 167 QB SER 16 QB SER 16 -9.593 3.644 9.199 168 H CYS 17 HN CYS 17 -6.323 3.152 9.559 169 HA CYS 17 HA CYS 17 -5.498 0.548 8.480 170 1HB CYS 17 2HB CYS 17 -4.266 2.063 7.093 171 2HB CYS 17 3HB CYS 17 -3.746 3.003 8.476 172 QB CYS 17 QB CYS 17 -4.006 2.533 7.784 173 H GLU 20 HN GLU 20 -4.556 -0.695 9.979 174 HA GLU 20 HA GLU 20 -4.628 0.135 12.788 175 1HB GLU 20 2HB GLU 20 -4.400 -2.299 13.178 176 2HB GLU 20 3HB GLU 20 -5.782 -1.854 12.180 177 1HG GLU 20 2HG GLU 20 -4.485 -2.562 10.118 178 2HG GLU 20 3HG GLU 20 -3.181 -3.096 11.193 179 QB GLU 20 QB GLU 20 -5.091 -2.076 12.679 180 QG GLU 20 QG GLU 20 -3.833 -2.829 10.656 181 H GLU 21 HN GLU 21 -2.273 -1.246 10.438 182 HA GLU 21 HA GLU 21 -0.007 -1.067 12.183 183 1HB GLU 21 2HB GLU 21 -0.424 -1.491 9.266 184 2HB GLU 21 3HB GLU 21 0.898 -0.510 9.601 185 1HG GLU 21 2HG GLU 21 1.623 -2.381 11.349 186 2HG GLU 21 3HG GLU 21 0.642 -3.413 10.286 187 QB GLU 21 QB GLU 21 0.237 -1.000 9.434 188 QG GLU 21 QG GLU 21 1.133 -2.897 10.817 189 H ASN 22 HN ASN 22 1.845 0.362 11.537 190 HA ASN 22 HA ASN 22 0.965 3.200 11.513 191 1HB ASN 22 2HB ASN 22 2.535 2.389 13.261 192 2HB ASN 22 3HB ASN 22 3.732 2.064 11.996 193 1HD2 ASN 22 2HD2 ASN 22 4.803 5.449 12.256 194 2HD2 ASN 22 1HD2 ASN 22 5.234 3.764 12.025 195 QB ASN 22 QB ASN 22 3.134 2.226 12.628 196 QD2 ASN 22 QD2 ASN 22 5.019 4.606 12.140 197 H SER 23 HN SER 23 2.197 0.742 9.316 198 HA SER 23 HA SER 23 3.365 2.758 7.516 199 1HB SER 23 2HB SER 23 3.327 -0.229 7.111 200 2HB SER 23 3HB SER 23 4.507 0.971 6.550 201 HG SER 23 HG SER 23 4.206 -0.306 8.985 202 QB SER 23 QB SER 23 3.917 0.371 6.831 203 H CYS 24 HN CYS 24 2.896 2.462 5.160 204 HA CYS 24 HA CYS 24 0.232 1.324 4.506 205 1HB CYS 24 2HB CYS 24 1.228 4.000 3.473 206 2HB CYS 24 3HB CYS 24 -0.283 3.175 3.087 207 QB CYS 24 QB CYS 24 0.472 3.587 3.280 208 OH TYR 25 OH TYR 25 -1.962 -5.281 0.946 209 H TYR 25 HN TYR 25 0.194 0.680 2.205 210 HA TYR 25 HA TYR 25 2.850 0.652 0.894 211 1HB TYR 25 2HB TYR 25 2.664 -1.657 0.341 212 2HB TYR 25 3HB TYR 25 2.531 -1.492 2.072 213 HD1 TYR 25 HD2 TYR 25 0.540 -2.080 -1.074 214 HD2 TYR 25 HD1 TYR 25 0.505 -2.249 3.214 215 HE1 TYR 25 HE2 TYR 25 -1.042 -4.014 -1.131 216 HE2 TYR 25 HE1 TYR 25 -1.205 -4.046 3.117 217 HH TYR 25 HH TYR 25 -2.465 -5.429 1.750 218 QB TYR 25 QB TYR 25 2.598 -1.575 1.206 219 QR TYR 25 QR TYR 25 -0.300 -3.097 1.032 220 H LYS 26 HN LYS 26 2.912 0.081 -1.260 221 HA LYS 26 HA LYS 26 0.437 0.274 -2.873 222 1HB LYS 26 2HB LYS 26 2.027 2.281 -3.149 223 2HB LYS 26 3HB LYS 26 3.225 1.122 -3.731 224 1HG LYS 26 2HG LYS 26 1.393 0.442 -5.486 225 2HG LYS 26 3HG LYS 26 0.585 1.926 -4.999 226 1HD LYS 26 2HD LYS 26 2.724 3.195 -5.558 227 2HD LYS 26 3HD LYS 26 3.442 1.665 -6.048 228 1HE LYS 26 2HE LYS 26 2.748 2.610 -8.090 229 2HE LYS 26 3HE LYS 26 1.534 1.388 -7.732 230 1HZ LYS 26 1HZ LYS 26 1.292 4.287 -7.195 231 2HZ LYS 26 2HZ LYS 26 0.625 3.500 -8.475 232 3HZ LYS 26 3HZ LYS 26 0.116 3.152 -6.948 233 QB LYS 26 QB LYS 26 2.626 1.702 -3.440 234 QG LYS 26 QG LYS 26 0.989 1.184 -5.242 235 QD LYS 26 QD LYS 26 3.083 2.430 -5.803 236 QE LYS 26 QE LYS 26 2.141 1.999 -7.911 237 QZ LYS 26 QZ LYS 26 0.678 3.646 -7.539 238 H LYS 27 HN LYS 27 0.262 -1.467 -4.315 239 HA LYS 27 HA LYS 27 2.602 -3.255 -4.760 240 1HB LYS 27 2HB LYS 27 -0.318 -3.983 -4.390 241 2HB LYS 27 3HB LYS 27 0.892 -5.106 -5.004 242 1HG LYS 27 2HG LYS 27 1.064 -3.791 -2.305 243 2HG LYS 27 3HG LYS 27 0.185 -5.303 -2.586 244 1HD LYS 27 2HD LYS 27 2.291 -6.306 -3.472 245 2HD LYS 27 3HD LYS 27 3.166 -4.845 -3.045 246 1HE LYS 27 2HE LYS 27 1.633 -6.711 -1.124 247 2HE LYS 27 3HE LYS 27 3.389 -6.639 -1.304 248 1HZ LYS 27 3HZ LYS 27 3.163 -4.274 -0.540 249 2HZ LYS 27 1HZ LYS 27 1.620 -4.653 -0.092 250 3HZ LYS 27 2HZ LYS 27 2.911 -5.474 0.550 251 QB LYS 27 QB LYS 27 0.287 -4.545 -4.697 252 QG LYS 27 QG LYS 27 0.624 -4.547 -2.445 253 QD LYS 27 QD LYS 27 2.728 -5.575 -3.258 254 QE LYS 27 QE LYS 27 2.511 -6.675 -1.214 255 QZ LYS 27 QZ LYS 27 2.564 -4.800 -0.027 256 OH TYR 28 OH TYR 28 7.477 -0.158 -7.221 257 H TYR 28 HN TYR 28 2.792 -3.799 -7.080 258 HA TYR 28 HA TYR 28 0.598 -2.988 -8.800 259 1HB TYR 28 2HB TYR 28 2.271 -1.590 -10.062 260 2HB TYR 28 3HB TYR 28 1.614 -0.879 -8.599 261 HD1 TYR 28 HD1 TYR 28 3.069 -0.866 -6.477 262 HD2 TYR 28 HD2 TYR 28 4.625 -1.710 -10.409 263 HE1 TYR 28 HE1 TYR 28 5.330 -0.234 -5.716 264 HE2 TYR 28 HE2 TYR 28 6.868 -0.989 -9.667 265 HH TYR 28 HH TYR 28 8.137 -0.189 -7.915 266 QB TYR 28 QB TYR 28 1.943 -1.234 -9.331 267 QR TYR 28 QR TYR 28 4.973 -0.950 -8.067 268 CH2 TRP 29 CH2 TRP 29 -2.837 -6.257 -7.733 269 H TRP 29 HN TRP 29 0.688 -3.874 -10.901 270 HA TRP 29 HA TRP 29 3.016 -5.432 -11.731 271 1HB TRP 29 2HB TRP 29 1.761 -7.522 -11.849 272 2HB TRP 29 3HB TRP 29 1.979 -7.002 -10.191 273 HD1 TRP 29 HD1 TRP 29 -0.648 -7.697 -12.800 274 HE1 TRP 29 HE1 TRP 29 -2.979 -7.708 -11.785 275 HE3 TRP 29 HE3 TRP 29 0.523 -5.864 -8.165 276 HZ2 TRP 29 HZ2 TRP 29 -4.198 -7.026 -9.226 277 HZ3 TRP 29 HZ3 TRP 29 -1.243 -5.549 -6.468 278 HH2 TRP 29 HH2 TRP 29 -3.600 -6.136 -6.977 279 QB TRP 29 QB TRP 29 1.870 -7.262 -11.020 280 NH1 ARG 30 NH2 ARG 30 4.567 -9.824 -14.321 281 NH2 ARG 30 NH1 ARG 30 2.269 -9.880 -14.717 282 H ARG 30 HN ARG 30 2.795 -6.196 -13.907 283 HA ARG 30 HA ARG 30 1.037 -4.538 -15.558 284 1HB ARG 30 2HB ARG 30 2.587 -6.243 -17.201 285 2HB ARG 30 3HB ARG 30 2.727 -4.524 -16.893 286 1HG ARG 30 2HG ARG 30 4.862 -5.251 -16.519 287 2HG ARG 30 3HG ARG 30 4.250 -5.078 -14.899 288 1HD ARG 30 2HD ARG 30 5.101 -7.496 -16.451 289 2HD ARG 30 3HD ARG 30 5.315 -7.135 -14.726 290 HE ARG 30 HE ARG 30 2.564 -7.696 -15.624 291 1HH1 ARG 30 2HH2 ARG 30 5.430 -9.302 -14.328 292 2HH1 ARG 30 1HH2 ARG 30 4.561 -10.741 -13.901 293 1HH2 ARG 30 2HH1 ARG 30 1.450 -9.364 -15.054 294 2HH2 ARG 30 1HH1 ARG 30 2.158 -10.820 -14.371 295 QB ARG 30 QB ARG 30 2.657 -5.383 -17.047 296 QG ARG 30 QG ARG 30 4.556 -5.165 -15.709 297 QD ARG 30 QD ARG 30 5.208 -7.315 -15.589 298 QH1 ARG 30 QH2 ARG 30 4.995 -10.021 -14.114 299 QH2 ARG 30 QH1 ARG 30 1.804 -10.092 -14.712 300 H ASP 31 HN ASP 31 -0.947 -5.250 -16.278 301 HA ASP 31 HA ASP 31 -1.475 -7.941 -17.139 302 1HB ASP 31 2HB ASP 31 -1.425 -8.502 -14.770 303 2HB ASP 31 3HB ASP 31 -2.379 -7.055 -14.367 304 QB ASP 31 QB ASP 31 -1.902 -7.779 -14.569 305 H HIS 32 HN HIS 32 -3.890 -8.142 -17.460 306 HA HIS 32 HA HIS 32 -5.870 -7.476 -18.297 307 1HB HIS 32 2HB HIS 32 -6.070 -6.856 -15.981 308 2HB HIS 32 3HB HIS 32 -5.343 -5.277 -16.268 309 HD1 HIS 32 HD1 HIS 32 -7.094 -3.452 -16.183 310 HD2 HIS 32 HD2 HIS 32 -8.499 -7.133 -17.699 311 HE1 HIS 32 HE1 HIS 32 -9.606 -3.144 -16.629 312 HE2 HIS 32 HE2 HIS 32 -10.451 -5.391 -17.554 313 QB HIS 32 QB HIS 32 -5.706 -6.067 -16.124 314 NH1 ARG 33 NH2 ARG 33 -10.497 -1.473 -22.419 315 NH2 ARG 33 NH1 ARG 33 -11.091 -3.600 -23.123 316 H ARG 33 HN ARG 33 -4.354 -4.262 -17.957 317 HA ARG 33 HA ARG 33 -4.300 -3.840 -20.829 318 1HB ARG 33 2HB ARG 33 -6.157 -2.096 -19.138 319 2HB ARG 33 3HB ARG 33 -5.636 -1.745 -20.791 320 1HG ARG 33 2HG ARG 33 -6.621 -3.945 -21.519 321 2HG ARG 33 3HG ARG 33 -7.381 -4.072 -19.918 322 1HD ARG 33 2HD ARG 33 -8.601 -1.985 -20.294 323 2HD ARG 33 3HD ARG 33 -7.744 -1.741 -21.839 324 HE ARG 33 HE ARG 33 -8.976 -4.280 -21.934 325 1HH1 ARG 33 2HH2 ARG 33 -9.851 -0.867 -21.938 326 2HH1 ARG 33 1HH2 ARG 33 -11.300 -1.061 -22.871 327 1HH2 ARG 33 2HH1 ARG 33 -10.907 -4.592 -23.181 328 2HH2 ARG 33 1HH1 ARG 33 -11.912 -3.244 -23.590 329 QB ARG 33 QB ARG 33 -5.897 -1.921 -19.964 330 QG ARG 33 QG ARG 33 -7.001 -4.008 -20.718 331 QD ARG 33 QD ARG 33 -8.172 -1.863 -21.066 332 QH1 ARG 33 QH2 ARG 33 -10.576 -0.964 -22.404 333 QH2 ARG 33 QH1 ARG 33 -11.410 -3.918 -23.386 334 H GLY 34 HN GLY 34 -2.561 -3.690 -18.105 335 1HA GLY 34 1HA GLY 34 -0.588 -1.973 -18.937 336 2HA GLY 34 2HA GLY 34 -1.759 -0.894 -18.159 337 QA GLY 34 QA GLY 34 -1.173 -1.434 -18.548 338 H THR 35 HN THR 35 0.051 -0.502 -16.635 339 HA THR 35 HA THR 35 0.620 -2.552 -14.659 340 HB THR 35 HB THR 35 0.919 0.426 -14.346 341 HG1 THR 35 1HG THR 35 2.633 -1.491 -15.558 342 1HG2 THR 35 2HG2 THR 35 1.214 -0.953 -12.288 343 2HG2 THR 35 3HG2 THR 35 2.410 -1.962 -13.131 344 3HG2 THR 35 1HG2 THR 35 2.746 -0.246 -12.829 345 QG2 THR 35 QG2 THR 35 2.123 -1.054 -12.749 346 H ILE 36 HN ILE 36 -1.064 -3.351 -13.474 347 HA ILE 36 HA ILE 36 -3.264 -1.658 -12.520 348 HB ILE 36 HB ILE 36 -2.410 -4.524 -12.022 349 1HG1 ILE 36 2HG1 ILE 36 -4.948 -3.211 -13.126 350 2HG1 ILE 36 3HG1 ILE 36 -3.648 -3.901 -14.109 351 1HG2 ILE 36 2HG2 ILE 36 -4.615 -2.990 -10.575 352 2HG2 ILE 36 3HG2 ILE 36 -4.382 -4.741 -10.509 353 3HG2 ILE 36 1HG2 ILE 36 -3.163 -3.690 -9.831 354 1HD1 ILE 36 2HD1 ILE 36 -4.086 -6.135 -13.028 355 2HD1 ILE 36 3HD1 ILE 36 -5.518 -5.427 -12.245 356 3HD1 ILE 36 1HD1 ILE 36 -5.428 -5.505 -13.998 357 QG1 ILE 36 QG1 ILE 36 -4.298 -3.556 -13.618 358 QG2 ILE 36 QG2 ILE 36 -4.053 -3.807 -10.305 359 QD1 ILE 36 QD1 ILE 36 -5.010 -5.689 -13.090 360 H ILE 37 HN ILE 37 -3.260 -0.577 -10.685 361 HA ILE 37 HA ILE 37 -0.991 -0.617 -8.771 362 HB ILE 37 HB ILE 37 -3.226 1.419 -9.437 363 1HG1 ILE 37 2HG1 ILE 37 -1.300 2.990 -9.681 364 2HG1 ILE 37 3HG1 ILE 37 -0.161 1.665 -9.380 365 1HG2 ILE 37 3HG2 ILE 37 -1.239 1.348 -7.104 366 2HG2 ILE 37 1HG2 ILE 37 -2.155 2.792 -7.581 367 3HG2 ILE 37 2HG2 ILE 37 -3.010 1.373 -6.996 368 1HD1 ILE 37 2HD1 ILE 37 -2.061 1.747 -11.746 369 2HD1 ILE 37 3HD1 ILE 37 -0.401 2.368 -11.766 370 3HD1 ILE 37 1HD1 ILE 37 -0.672 0.652 -11.482 371 QG1 ILE 37 QG1 ILE 37 -0.730 2.328 -9.530 372 QG2 ILE 37 QG2 ILE 37 -2.134 1.838 -7.227 373 QD1 ILE 37 QD1 ILE 37 -1.045 1.589 -11.665 374 H GLU 38 HN GLU 38 -1.461 -1.370 -6.717 375 HA GLU 38 HA GLU 38 -4.245 -1.317 -5.764 376 1HB GLU 38 2HB GLU 38 -3.776 -3.646 -6.328 377 2HB GLU 38 3HB GLU 38 -2.293 -3.626 -5.381 378 1HG GLU 38 2HG GLU 38 -5.024 -3.054 -4.137 379 2HG GLU 38 3HG GLU 38 -4.421 -4.695 -4.373 380 QB GLU 38 QB GLU 38 -3.035 -3.636 -5.854 381 QG GLU 38 QG GLU 38 -4.723 -3.874 -4.255 382 NH1 ARG 39 NH2 ARG 39 0.746 4.712 -3.645 383 NH2 ARG 39 NH1 ARG 39 -0.005 5.651 -5.596 384 H ARG 39 HN ARG 39 -4.223 -0.817 -3.387 385 HA ARG 39 HA ARG 39 -1.642 -0.165 -2.236 386 1HB ARG 39 2HB ARG 39 -3.995 1.781 -2.559 387 2HB ARG 39 3HB ARG 39 -2.647 1.953 -1.436 388 1HG ARG 39 2HG ARG 39 -1.116 1.764 -3.534 389 2HG ARG 39 3HG ARG 39 -2.596 2.069 -4.473 390 1HD ARG 39 2HD ARG 39 -2.950 4.052 -2.840 391 2HD ARG 39 3HD ARG 39 -1.352 3.728 -2.258 392 HE ARG 39 HE ARG 39 -2.204 4.914 -4.825 393 1HH1 ARG 39 2HH2 ARG 39 0.613 4.128 -2.837 394 2HH1 ARG 39 1HH2 ARG 39 1.414 5.496 -3.605 395 1HH2 ARG 39 2HH1 ARG 39 -0.733 5.877 -6.253 396 2HH2 ARG 39 1HH1 ARG 39 0.626 6.454 -5.423 397 QB ARG 39 QB ARG 39 -3.321 1.867 -1.998 398 QG ARG 39 QG ARG 39 -1.856 1.916 -4.004 399 QD ARG 39 QD ARG 39 -2.151 3.890 -2.549 400 QH1 ARG 39 QH2 ARG 39 1.013 4.812 -3.221 401 QH2 ARG 39 QH1 ARG 39 -0.054 6.165 -5.838 402 H GLY 40 HN GLY 40 -1.718 -0.190 0.040 403 1HA GLY 40 1HA GLY 40 -4.252 -0.722 1.382 404 2HA GLY 40 2HA GLY 40 -3.216 -2.155 1.214 405 QA GLY 40 QA GLY 40 -3.734 -1.438 1.298 406 H CYS 41 HN CYS 41 -3.359 -1.951 3.601 407 HA CYS 41 HA CYS 41 -1.798 0.259 4.826 408 1HB CYS 41 2HB CYS 41 -3.710 0.383 5.800 409 2HB CYS 41 3HB CYS 41 -4.197 -1.327 5.597 410 QB CYS 41 QB CYS 41 -3.953 -0.472 5.699 411 H GLY 42 HN GLY 42 -0.463 -0.128 6.480 412 1HA GLY 42 1HA GLY 42 1.271 -1.186 7.563 413 2HA GLY 42 2HA GLY 42 0.495 -2.751 7.242 414 QA GLY 42 QA GLY 42 0.883 -1.969 7.402 415 H CYS 43 HN CYS 43 2.524 -3.800 6.630 416 HA CYS 43 HA CYS 43 3.328 -3.146 3.833 417 1HB CYS 43 2HB CYS 43 4.787 -1.784 5.303 418 2HB CYS 43 3HB CYS 43 5.322 -3.263 6.110 419 QB CYS 43 QB CYS 43 5.055 -2.523 5.707 420 HA PRO 44 HA PRO 44 3.540 -7.655 4.482 421 1HB PRO 44 2HB PRO 44 1.580 -8.563 2.816 422 2HB PRO 44 3HB PRO 44 1.222 -7.894 4.435 423 1HG PRO 44 2HG PRO 44 1.070 -6.499 1.759 424 2HG PRO 44 3HG PRO 44 -0.137 -6.478 3.069 425 1HD PRO 44 2HD PRO 44 1.812 -4.513 2.668 426 2HD PRO 44 3HD PRO 44 1.072 -4.853 4.261 427 QB PRO 44 QB PRO 44 1.401 -8.228 3.625 428 QG PRO 44 QG PRO 44 0.467 -6.488 2.414 429 QD PRO 44 QD PRO 44 1.442 -4.683 3.464 430 H LYS 45 HN LYS 45 4.419 -9.218 2.970 431 HA LYS 45 HA LYS 45 5.817 -8.127 0.621 432 1HB LYS 45 2HB LYS 45 7.082 -9.328 2.240 433 2HB LYS 45 3HB LYS 45 5.963 -10.704 2.223 434 1HG LYS 45 2HG LYS 45 6.688 -11.325 -0.010 435 2HG LYS 45 3HG LYS 45 7.763 -9.925 -0.120 436 1HD LYS 45 2HD LYS 45 7.912 -12.255 1.863 437 2HD LYS 45 3HD LYS 45 8.855 -12.135 0.389 438 1HE LYS 45 2HE LYS 45 9.078 -10.274 2.810 439 2HE LYS 45 3HE LYS 45 10.181 -11.580 2.382 440 1HZ LYS 45 2HZ LYS 45 10.716 -10.415 0.355 441 2HZ LYS 45 3HZ LYS 45 9.708 -9.174 0.757 442 3HZ LYS 45 1HZ LYS 45 11.036 -9.487 1.671 443 QB LYS 45 QB LYS 45 6.523 -10.016 2.232 444 QG LYS 45 QG LYS 45 7.225 -10.625 -0.065 445 QD LYS 45 QD LYS 45 8.383 -12.195 1.126 446 QE LYS 45 QE LYS 45 9.630 -10.927 2.596 447 QZ LYS 45 QZ LYS 45 10.486 -9.692 0.928 448 H VAL 46 HN VAL 46 5.954 -9.604 -1.292 449 HA VAL 46 HA VAL 46 3.648 -11.306 -1.891 450 HB VAL 46 HB VAL 46 3.503 -10.176 -4.215 451 1HG1 VAL 46 2HG1 VAL 46 2.427 -8.735 -1.791 452 2HG1 VAL 46 3HG1 VAL 46 1.834 -8.577 -3.462 453 3HG1 VAL 46 1HG1 VAL 46 1.701 -10.121 -2.613 454 1HG2 VAL 46 2HG2 VAL 46 5.519 -8.756 -4.036 455 2HG2 VAL 46 3HG2 VAL 46 4.057 -7.825 -4.371 456 3HG2 VAL 46 1HG2 VAL 46 4.748 -7.816 -2.745 457 QG1 VAL 46 QG1 VAL 46 1.987 -9.144 -2.622 458 QG2 VAL 46 QG2 VAL 46 4.775 -8.132 -3.717 459 QQG VAL 46 QQG VAL 46 3.381 -8.638 -3.170 460 H LYS 47 HN LYS 47 4.099 -12.116 -4.296 461 HA LYS 47 HA LYS 47 6.653 -13.521 -4.229 462 1HB LYS 47 2HB LYS 47 4.068 -13.708 -5.628 463 2HB LYS 47 3HB LYS 47 5.348 -13.897 -6.746 464 1HG LYS 47 2HG LYS 47 4.753 -16.053 -6.008 465 2HG LYS 47 3HG LYS 47 6.298 -15.723 -5.207 466 1HD LYS 47 2HD LYS 47 5.040 -15.014 -3.149 467 2HD LYS 47 3HD LYS 47 3.525 -15.463 -3.930 468 1HE LYS 47 2HE LYS 47 5.875 -17.336 -3.305 469 2HE LYS 47 3HE LYS 47 4.384 -17.207 -2.368 470 1HZ LYS 47 2HZ LYS 47 3.174 -17.978 -4.316 471 2HZ LYS 47 3HZ LYS 47 4.582 -18.155 -5.153 472 3HZ LYS 47 1HZ LYS 47 4.295 -19.067 -3.821 473 QB LYS 47 QB LYS 47 4.708 -13.802 -6.187 474 QG LYS 47 QG LYS 47 5.526 -15.888 -5.607 475 QD LYS 47 QD LYS 47 4.282 -15.239 -3.540 476 QE LYS 47 QE LYS 47 5.130 -17.272 -2.836 477 QZ LYS 47 QZ LYS 47 4.017 -18.400 -4.430 478 HA PRO 48 HA PRO 48 8.861 -10.814 -6.888 479 1HB PRO 48 2HB PRO 48 10.302 -12.398 -8.577 480 2HB PRO 48 3HB PRO 48 10.532 -12.428 -6.807 481 1HG PRO 48 2HG PRO 48 8.951 -14.351 -8.502 482 2HG PRO 48 3HG PRO 48 10.076 -14.726 -7.168 483 1HD PRO 48 2HD PRO 48 7.318 -14.560 -6.970 484 2HD PRO 48 3HD PRO 48 8.358 -14.305 -5.555 485 QB PRO 48 QB PRO 48 10.417 -12.413 -7.692 486 QG PRO 48 QG PRO 48 9.513 -14.538 -7.835 487 QD PRO 48 QD PRO 48 7.838 -14.432 -6.262 488 H GLY 49 HN GLY 49 9.173 -10.041 -9.196 489 1HA GLY 49 1HA GLY 49 8.301 -9.308 -11.153 490 2HA GLY 49 2HA GLY 49 7.434 -10.845 -11.271 491 QA GLY 49 QA GLY 49 7.867 -10.076 -11.212 492 H VAL 50 HN VAL 50 6.816 -9.082 -8.370 493 HA VAL 50 HA VAL 50 4.512 -7.543 -9.431 494 HB VAL 50 HB VAL 50 4.627 -9.218 -6.860 495 1HG1 VAL 50 1HG1 VAL 50 2.418 -7.421 -7.953 496 2HG1 VAL 50 2HG1 VAL 50 2.312 -8.451 -6.513 497 3HG1 VAL 50 3HG1 VAL 50 3.416 -7.071 -6.532 498 1HG2 VAL 50 1HG2 VAL 50 2.931 -9.517 -9.375 499 2HG2 VAL 50 2HG2 VAL 50 4.187 -10.640 -8.807 500 3HG2 VAL 50 3HG2 VAL 50 2.706 -10.428 -7.866 501 QG1 VAL 50 QG1 VAL 50 2.715 -7.648 -6.999 502 QG2 VAL 50 QG2 VAL 50 3.275 -10.195 -8.683 503 QQG VAL 50 QQG VAL 50 2.995 -8.921 -7.841 504 H GLY 51 HN GLY 51 4.965 -5.386 -8.961 505 1HA GLY 51 1HA GLY 51 7.264 -4.805 -7.387 506 2HA GLY 51 2HA GLY 51 6.291 -3.603 -8.194 507 QA GLY 51 QA GLY 51 6.778 -4.204 -7.791 508 H ILE 52 HN ILE 52 7.155 -3.137 -5.746 509 HA ILE 52 HA ILE 52 4.779 -2.949 -4.085 510 HB ILE 52 HB ILE 52 5.575 -5.217 -3.651 511 1HG1 ILE 52 2HG1 ILE 52 4.628 -3.623 -1.811 512 2HG1 ILE 52 3HG1 ILE 52 5.210 -5.259 -1.458 513 1HG2 ILE 52 1HG2 ILE 52 7.946 -5.024 -4.152 514 2HG2 ILE 52 2HG2 ILE 52 8.205 -4.015 -2.719 515 3HG2 ILE 52 3HG2 ILE 52 7.697 -5.708 -2.541 516 1HD1 ILE 52 2HD1 ILE 52 7.282 -4.389 -0.517 517 2HD1 ILE 52 3HD1 ILE 52 6.753 -2.722 -0.841 518 3HD1 ILE 52 1HD1 ILE 52 5.846 -3.755 0.272 519 QG1 ILE 52 QG1 ILE 52 4.919 -4.441 -1.635 520 QG2 ILE 52 QG2 ILE 52 7.949 -4.916 -3.138 521 QD1 ILE 52 QD1 ILE 52 6.627 -3.622 -0.362 522 H HIS 53 HN HIS 53 4.984 -1.309 -2.488 523 HA HIS 53 HA HIS 53 7.633 -0.393 -1.750 524 1HB HIS 53 2HB HIS 53 7.165 0.952 -3.819 525 2HB HIS 53 3HB HIS 53 5.686 1.551 -3.066 526 HD1 HIS 53 HD1 HIS 53 6.545 4.087 -3.148 527 HD2 HIS 53 HD2 HIS 53 9.112 1.379 -1.167 528 HE1 HIS 53 HE1 HIS 53 8.345 5.494 -1.980 529 HE2 HIS 53 HE2 HIS 53 9.868 3.837 -0.743 530 QB HIS 53 QB HIS 53 6.425 1.251 -3.443 531 H CYS 54 HN CYS 54 7.521 0.746 0.313 532 HA CYS 54 HA CYS 54 4.871 0.921 1.604 533 1HB CYS 54 2HB CYS 54 7.362 -0.408 2.735 534 2HB CYS 54 3HB CYS 54 5.923 0.010 3.663 535 QB CYS 54 QB CYS 54 6.642 -0.199 3.199 536 H CYS 55 HN CYS 55 4.905 2.418 3.438 537 HA CYS 55 HA CYS 55 7.310 3.869 4.098 538 1HB CYS 55 2HB CYS 55 6.275 6.087 3.475 539 2HB CYS 55 3HB CYS 55 6.912 5.120 2.161 540 QB CYS 55 QB CYS 55 6.593 5.603 2.818 541 H GLN 56 HN GLN 56 6.881 5.410 5.770 542 HA GLN 56 HA GLN 56 4.748 4.418 7.602 543 1HB GLN 56 2HB GLN 56 7.445 5.570 8.382 544 2HB GLN 56 3HB GLN 56 6.287 4.661 9.352 545 1HG GLN 56 2HG GLN 56 7.843 3.052 8.946 546 2HG GLN 56 3HG GLN 56 6.707 2.714 7.635 547 1HE2 GLN 56 2HE2 GLN 56 10.308 2.772 6.406 548 2HE2 GLN 56 1HE2 GLN 56 9.476 1.888 7.669 549 QB GLN 56 QB GLN 56 6.866 5.115 8.867 550 QG GLN 56 QG GLN 56 7.275 2.883 8.290 551 QE2 GLN 56 QE2 GLN 56 9.892 2.330 7.038 552 H SER 57 HN SER 57 3.875 6.567 6.039 553 HA SER 57 HA SER 57 3.457 8.539 8.218 554 1HB SER 57 2HB SER 57 3.404 9.940 5.693 555 2HB SER 57 3HB SER 57 4.301 10.295 7.161 556 HG SER 57 HG SER 57 5.887 8.771 6.451 557 QB SER 57 QB SER 57 3.852 10.117 6.427 558 H ASP 58 HN ASP 58 1.414 9.596 8.156 559 HA ASP 58 HA ASP 58 -0.718 7.944 7.418 560 1HB ASP 58 2HB ASP 58 -0.879 10.971 7.729 561 2HB ASP 58 3HB ASP 58 -2.103 9.759 8.149 562 QB ASP 58 QB ASP 58 -1.491 10.365 7.939 563 H LYS 59 HN LYS 59 -1.751 7.671 5.473 564 HA LYS 59 HA LYS 59 -2.267 7.879 3.240 565 1HB LYS 59 2HB LYS 59 -1.774 10.830 3.755 566 2HB LYS 59 3HB LYS 59 -2.653 10.170 2.376 567 1HG LYS 59 2HG LYS 59 -4.503 9.554 3.641 568 2HG LYS 59 3HG LYS 59 -3.619 9.561 5.166 569 1HD LYS 59 2HD LYS 59 -5.199 11.443 4.932 570 2HD LYS 59 3HD LYS 59 -3.553 11.923 5.322 571 1HE LYS 59 2HE LYS 59 -4.637 11.979 2.454 572 2HE LYS 59 3HE LYS 59 -4.880 13.312 3.591 573 1HZ LYS 59 2HZ LYS 59 -2.479 13.472 3.831 574 2HZ LYS 59 3HZ LYS 59 -2.273 12.344 2.658 575 3HZ LYS 59 1HZ LYS 59 -2.991 13.775 2.301 576 QB LYS 59 QB LYS 59 -2.213 10.500 3.066 577 QG LYS 59 QG LYS 59 -4.061 9.557 4.404 578 QD LYS 59 QD LYS 59 -4.376 11.683 5.127 579 QE LYS 59 QE LYS 59 -4.759 12.646 3.022 580 QZ LYS 59 QZ LYS 59 -2.581 13.197 2.930 581 H CYS 60 HN CYS 60 0.803 7.820 4.117 582 HA CYS 60 HA CYS 60 2.211 9.362 2.225 583 1HB CYS 60 2HB CYS 60 4.137 8.074 2.793 584 2HB CYS 60 3HB CYS 60 3.165 8.262 4.233 585 QB CYS 60 QB CYS 60 3.651 8.168 3.513 586 H ASN 61 HN ASN 61 0.645 6.234 1.857 587 HA ASN 61 HA ASN 61 1.962 5.604 -0.652 588 1HB ASN 61 2HB ASN 61 0.584 3.665 -0.707 589 2HB ASN 61 3HB ASN 61 1.261 3.841 0.903 590 1HD2 ASN 61 2HD2 ASN 61 -2.430 2.886 0.960 591 2HD2 ASN 61 1HD2 ASN 61 -0.985 2.204 0.252 592 QB ASN 61 QB ASN 61 0.923 3.753 0.098 593 QD2 ASN 61 QD2 ASN 61 -1.707 2.545 0.606 594 OH TYR 62 OH TYR 62 -5.045 12.371 -4.587 595 H TYR 62 HN TYR 62 1.252 7.974 -1.248 596 HA TYR 62 HA TYR 62 -1.163 7.655 -3.026 597 1HB TYR 62 2HB TYR 62 -0.724 9.704 -1.347 598 2HB TYR 62 3HB TYR 62 0.360 10.243 -2.609 599 HD1 TYR 62 HD1 TYR 62 -2.089 8.946 -4.667 600 HD2 TYR 62 HD2 TYR 62 -1.499 12.073 -1.756 601 HE1 TYR 62 HE1 TYR 62 -4.106 10.089 -5.485 602 HE2 TYR 62 HE2 TYR 62 -3.428 13.303 -2.703 603 HH TYR 62 HH TYR 62 -5.159 13.254 -4.229 604 QB TYR 62 QB TYR 62 -0.182 9.974 -1.978 605 QR TYR 62 QR TYR 62 -2.780 11.103 -3.653 Start of MODEL 17 Raw file had 605 H/Q atoms Start of MODEL 17 1 NH1 ARG 1 NH2 ARG 1 1.898 8.258 10.380 2 NH2 ARG 1 NH1 ARG 1 3.339 6.454 10.509 3 H ARG 1 HN ARG 1 -4.163 5.253 12.263 4 HA ARG 1 HA ARG 1 -2.557 6.527 10.949 5 1HB ARG 1 2HB ARG 1 -1.036 4.479 10.740 6 2HB ARG 1 3HB ARG 1 -2.175 3.814 9.571 7 1HG ARG 1 2HG ARG 1 -0.371 4.701 8.325 8 2HG ARG 1 3HG ARG 1 -1.702 5.826 8.096 9 1HD ARG 1 2HD ARG 1 0.072 7.219 8.524 10 2HD ARG 1 3HD ARG 1 -0.657 7.132 10.136 11 HE ARG 1 HE ARG 1 1.394 5.133 9.758 12 1HH1 ARG 1 2HH2 ARG 1 0.974 8.655 10.162 13 2HH1 ARG 1 1HH2 ARG 1 2.601 8.891 10.721 14 1HH2 ARG 1 2HH1 ARG 1 3.515 5.445 10.469 15 2HH2 ARG 1 1HH1 ARG 1 4.159 7.041 10.419 16 QB ARG 1 QB ARG 1 -1.606 4.146 10.156 17 QG ARG 1 QG ARG 1 -1.036 5.264 8.210 18 QD ARG 1 QD ARG 1 -0.292 7.176 9.330 19 QH1 ARG 1 QH2 ARG 1 1.787 8.773 10.441 20 QH2 ARG 1 QH1 ARG 1 3.837 6.243 10.444 21 H ILE 2 HN ILE 2 -3.279 7.419 8.776 22 HA ILE 2 HA ILE 2 -5.716 6.056 7.681 23 HB ILE 2 HB ILE 2 -5.159 9.029 7.769 24 1HG1 ILE 2 2HG1 ILE 2 -6.991 7.274 9.478 25 2HG1 ILE 2 3HG1 ILE 2 -5.645 8.289 10.029 26 1HG2 ILE 2 2HG2 ILE 2 -6.500 8.240 5.815 27 2HG2 ILE 2 3HG2 ILE 2 -7.679 7.534 6.939 28 3HG2 ILE 2 1HG2 ILE 2 -7.415 9.291 6.883 29 1HD1 ILE 2 2HD1 ILE 2 -6.927 10.313 9.279 30 2HD1 ILE 2 3HD1 ILE 2 -8.323 9.247 8.966 31 3HD1 ILE 2 1HD1 ILE 2 -7.675 9.393 10.604 32 QG1 ILE 2 QG1 ILE 2 -6.318 7.781 9.754 33 QG2 ILE 2 QG2 ILE 2 -7.198 8.355 6.546 34 QD1 ILE 2 QD1 ILE 2 -7.641 9.651 9.616 35 H CYS 3 HN CYS 3 -5.650 5.598 5.552 36 HA CYS 3 HA CYS 3 -3.412 6.617 3.886 37 1HB CYS 3 2HB CYS 3 -3.615 3.829 5.034 38 2HB CYS 3 3HB CYS 3 -2.851 4.078 3.476 39 QB CYS 3 QB CYS 3 -3.233 3.954 4.255 40 OH TYR 4 OH TYR 4 -3.964 11.600 -0.881 41 H TYR 4 HN TYR 4 -3.401 5.563 1.727 42 HA TYR 4 HA TYR 4 -6.083 5.900 0.631 43 1HB TYR 4 2HB TYR 4 -3.353 5.497 -0.578 44 2HB TYR 4 3HB TYR 4 -4.813 5.593 -1.521 45 HD1 TYR 4 HD1 TYR 4 -6.368 7.750 -1.039 46 HD2 TYR 4 HD2 TYR 4 -2.141 7.494 -0.195 47 HE1 TYR 4 HE1 TYR 4 -6.186 10.210 -1.182 48 HE2 TYR 4 HE2 TYR 4 -1.952 9.939 -0.524 49 HH TYR 4 HH TYR 4 -3.051 11.890 -0.941 50 QB TYR 4 QB TYR 4 -4.083 5.545 -1.050 51 QR TYR 4 QR TYR 4 -4.162 8.848 -0.735 52 H ASN 5 HN ASN 5 -7.284 4.341 -0.403 53 HA ASN 5 HA ASN 5 -6.277 1.503 -0.379 54 1HB ASN 5 2HB ASN 5 -8.303 0.692 0.523 55 2HB ASN 5 3HB ASN 5 -7.655 1.893 1.642 56 1HD2 ASN 5 2HD2 ASN 5 -10.325 4.276 0.948 57 2HD2 ASN 5 1HD2 ASN 5 -8.584 4.233 1.196 58 QB ASN 5 QB ASN 5 -7.979 1.293 1.082 59 QD2 ASN 5 QD2 ASN 5 -9.454 4.255 1.072 60 H HIS 6 HN HIS 6 -7.106 3.935 -2.355 61 HA HIS 6 HA HIS 6 -9.136 2.710 -4.018 62 1HB HIS 6 2HB HIS 6 -8.544 4.434 -5.673 63 2HB HIS 6 3HB HIS 6 -8.884 5.038 -4.057 64 HD1 HIS 6 HD1 HIS 6 -6.253 5.343 -6.696 65 HD2 HIS 6 HD2 HIS 6 -6.849 6.031 -2.591 66 HE1 HIS 6 HE1 HIS 6 -4.319 6.942 -5.887 67 HE2 HIS 6 HE2 HIS 6 -4.697 7.289 -3.420 68 QB HIS 6 QB HIS 6 -8.714 4.736 -4.865 69 H GLN 7 HN GLN 7 -8.706 2.014 -6.311 70 HA GLN 7 HA GLN 7 -6.334 0.202 -6.308 71 1HB GLN 7 2HB GLN 7 -8.767 -0.584 -6.411 72 2HB GLN 7 3HB GLN 7 -8.821 0.032 -8.057 73 1HG GLN 7 2HG GLN 7 -7.340 -1.675 -8.814 74 2HG GLN 7 3HG GLN 7 -6.619 -1.888 -7.207 75 1HE2 GLN 7 2HE2 GLN 7 -8.905 -4.410 -6.280 76 2HE2 GLN 7 1HE2 GLN 7 -7.462 -3.483 -5.865 77 QB GLN 7 QB GLN 7 -8.794 -0.276 -7.234 78 QG GLN 7 QG GLN 7 -6.979 -1.782 -8.011 79 QE2 GLN 7 QE2 GLN 7 -8.184 -3.947 -6.073 80 H SER 8 HN SER 8 -6.309 -0.141 -9.123 81 HA SER 8 HA SER 8 -4.976 2.092 -10.241 82 1HB SER 8 2HB SER 8 -6.685 -0.092 -11.551 83 2HB SER 8 3HB SER 8 -5.546 0.941 -12.412 84 HG SER 8 HG SER 8 -4.818 -0.759 -10.215 85 QB SER 8 QB SER 8 -6.116 0.424 -11.982 86 H THR 9 HN THR 9 -5.662 3.855 -11.321 87 HA THR 9 HA THR 9 -7.049 5.596 -11.917 88 HB THR 9 HB THR 9 -8.393 4.722 -13.953 89 HG1 THR 9 1HG THR 9 -8.017 2.587 -14.467 90 1HG2 THR 9 2HG2 THR 9 -5.431 4.020 -13.695 91 2HG2 THR 9 3HG2 THR 9 -6.327 4.237 -15.208 92 3HG2 THR 9 1HG2 THR 9 -6.093 5.615 -14.119 93 QG2 THR 9 QG2 THR 9 -5.950 4.624 -14.340 94 H THR 10 HN THR 10 -8.125 4.626 -9.464 95 HA THR 10 HA THR 10 -11.030 5.179 -9.917 96 HB THR 10 HB THR 10 -11.230 3.710 -7.751 97 HG1 THR 10 1HG THR 10 -8.912 2.593 -8.903 98 1HG2 THR 10 3HG2 THR 10 -10.641 2.547 -10.520 99 2HG2 THR 10 1HG2 THR 10 -11.369 1.649 -9.179 100 3HG2 THR 10 2HG2 THR 10 -12.208 3.047 -9.880 101 QG2 THR 10 QG2 THR 10 -11.406 2.414 -9.860 102 NH1 ARG 11 NH2 ARG 11 -16.943 9.313 -6.243 103 NH2 ARG 11 NH1 ARG 11 -17.116 11.477 -5.435 104 H ARG 11 HN ARG 11 -12.152 6.131 -8.292 105 HA ARG 11 HA ARG 11 -11.555 8.536 -7.363 106 1HB ARG 11 2HB ARG 11 -13.707 7.075 -7.174 107 2HB ARG 11 3HB ARG 11 -13.052 6.522 -5.638 108 1HG ARG 11 2HG ARG 11 -14.592 8.203 -5.127 109 2HG ARG 11 3HG ARG 11 -13.028 8.985 -4.897 110 1HD ARG 11 2HD ARG 11 -13.226 10.181 -6.992 111 2HD ARG 11 3HD ARG 11 -14.575 9.203 -7.541 112 HE ARG 11 HE ARG 11 -14.626 11.517 -5.790 113 1HH1 ARG 11 2HH2 ARG 11 -16.369 8.557 -6.584 114 2HH1 ARG 11 1HH2 ARG 11 -17.937 9.160 -6.152 115 1HH2 ARG 11 2HH1 ARG 11 -16.695 12.362 -5.191 116 2HH2 ARG 11 1HH1 ARG 11 -18.114 11.376 -5.318 117 QB ARG 11 QB ARG 11 -13.380 6.799 -6.406 118 QG ARG 11 QG ARG 11 -13.810 8.594 -5.012 119 QD ARG 11 QD ARG 11 -13.901 9.692 -7.266 120 QH1 ARG 11 QH2 ARG 11 -17.153 8.859 -6.368 121 QH2 ARG 11 QH1 ARG 11 -17.404 11.869 -5.254 122 H ALA 12 HN ALA 12 -10.115 9.455 -5.931 123 HA ALA 12 HA ALA 12 -8.119 7.776 -4.817 124 1HB ALA 12 3HB ALA 12 -7.626 9.919 -5.851 125 2HB ALA 12 1HB ALA 12 -8.543 10.776 -4.590 126 3HB ALA 12 2HB ALA 12 -7.060 9.897 -4.168 127 QB ALA 12 QB ALA 12 -7.743 10.197 -4.870 128 H THR 13 HN THR 13 -9.879 6.610 -3.324 129 HA THR 13 HA THR 13 -10.737 8.097 -1.024 130 HB THR 13 HB THR 13 -11.653 5.813 -0.408 131 HG1 THR 13 1HG THR 13 -10.125 4.559 -1.564 132 1HG2 THR 13 2HG2 THR 13 -12.293 6.868 -3.202 133 2HG2 THR 13 3HG2 THR 13 -13.321 5.798 -2.230 134 3HG2 THR 13 1HG2 THR 13 -12.994 7.453 -1.678 135 QG2 THR 13 QG2 THR 13 -12.869 6.706 -2.370 136 H THR 14 HN THR 14 -10.143 7.951 1.069 137 HA THR 14 HA THR 14 -7.790 6.349 1.834 138 HB THR 14 HB THR 14 -7.866 8.006 3.816 139 HG1 THR 14 1HG THR 14 -9.007 9.904 3.392 140 1HG2 THR 14 3HG2 THR 14 -6.171 8.151 1.995 141 2HG2 THR 14 1HG2 THR 14 -7.302 9.148 1.047 142 3HG2 THR 14 2HG2 THR 14 -6.655 9.748 2.587 143 QG2 THR 14 QG2 THR 14 -6.709 9.016 1.877 144 H LYS 15 HN LYS 15 -7.899 5.291 3.920 145 HA LYS 15 HA LYS 15 -10.402 5.328 5.392 146 1HB LYS 15 2HB LYS 15 -9.220 2.781 4.188 147 2HB LYS 15 3HB LYS 15 -10.175 2.778 5.667 148 1HG LYS 15 2HG LYS 15 -12.066 3.906 4.396 149 2HG LYS 15 3HG LYS 15 -11.107 3.728 2.941 150 1HD LYS 15 2HD LYS 15 -12.605 1.905 2.888 151 2HD LYS 15 3HD LYS 15 -11.014 1.261 3.258 152 1HE LYS 15 2HE LYS 15 -12.698 0.144 4.618 153 2HE LYS 15 3HE LYS 15 -11.618 1.060 5.667 154 1HZ LYS 15 1HZ LYS 15 -14.309 1.908 4.793 155 2HZ LYS 15 2HZ LYS 15 -13.911 1.332 6.280 156 3HZ LYS 15 3HZ LYS 15 -13.315 2.777 5.778 157 QB LYS 15 QB LYS 15 -9.697 2.779 4.927 158 QG LYS 15 QG LYS 15 -11.587 3.817 3.669 159 QD LYS 15 QD LYS 15 -11.810 1.583 3.073 160 QE LYS 15 QE LYS 15 -12.158 0.602 5.143 161 QZ LYS 15 QZ LYS 15 -13.845 2.006 5.617 162 H SER 16 HN SER 16 -9.946 4.103 7.512 163 HA SER 16 HA SER 16 -7.416 4.974 8.610 164 1HB SER 16 2HB SER 16 -9.567 4.848 9.907 165 2HB SER 16 3HB SER 16 -9.411 3.072 9.874 166 HG SER 16 HG SER 16 -8.469 3.994 11.752 167 QB SER 16 QB SER 16 -9.489 3.960 9.891 168 H CYS 17 HN CYS 17 -6.005 3.409 9.696 169 HA CYS 17 HA CYS 17 -5.647 0.681 8.598 170 1HB CYS 17 2HB CYS 17 -4.493 1.902 6.917 171 2HB CYS 17 3HB CYS 17 -3.901 3.080 8.084 172 QB CYS 17 QB CYS 17 -4.197 2.491 7.501 173 H GLU 20 HN GLU 20 -5.497 -0.342 10.605 174 HA GLU 20 HA GLU 20 -4.740 0.940 12.958 175 1HB GLU 20 2HB GLU 20 -4.435 -1.542 13.729 176 2HB GLU 20 3HB GLU 20 -6.013 -0.828 13.342 177 1HG GLU 20 2HG GLU 20 -4.648 -2.361 11.153 178 2HG GLU 20 3HG GLU 20 -5.420 -3.220 12.479 179 QB GLU 20 QB GLU 20 -5.224 -1.185 13.535 180 QG GLU 20 QG GLU 20 -5.034 -2.790 11.816 181 H GLU 21 HN GLU 21 -2.604 -1.169 10.852 182 HA GLU 21 HA GLU 21 -0.298 -0.857 12.371 183 1HB GLU 21 2HB GLU 21 -0.644 -0.994 9.344 184 2HB GLU 21 3HB GLU 21 0.922 -1.012 10.144 185 1HG GLU 21 2HG GLU 21 0.436 -3.266 9.711 186 2HG GLU 21 3HG GLU 21 0.279 -3.022 11.439 187 QB GLU 21 QB GLU 21 0.139 -1.003 9.744 188 QG GLU 21 QG GLU 21 0.358 -3.144 10.575 189 H ASN 22 HN ASN 22 1.643 0.369 11.870 190 HA ASN 22 HA ASN 22 1.150 3.260 11.780 191 1HB ASN 22 2HB ASN 22 3.425 3.449 12.431 192 2HB ASN 22 3HB ASN 22 2.737 2.145 13.401 193 1HD2 ASN 22 2HD2 ASN 22 6.067 1.336 11.430 194 2HD2 ASN 22 1HD2 ASN 22 5.482 2.944 11.857 195 QB ASN 22 QB ASN 22 3.081 2.797 12.916 196 QD2 ASN 22 QD2 ASN 22 5.775 2.140 11.643 197 H SER 23 HN SER 23 2.209 0.686 9.631 198 HA SER 23 HA SER 23 3.458 2.530 7.677 199 1HB SER 23 2HB SER 23 4.021 0.053 6.794 200 2HB SER 23 3HB SER 23 4.998 0.886 7.999 201 HG SER 23 HG SER 23 3.990 -0.283 9.638 202 QB SER 23 QB SER 23 4.510 0.469 7.397 203 H CYS 24 HN CYS 24 3.055 1.928 5.400 204 HA CYS 24 HA CYS 24 0.522 0.618 4.785 205 1HB CYS 24 2HB CYS 24 1.014 3.543 4.100 206 2HB CYS 24 3HB CYS 24 -0.300 2.559 3.429 207 QB CYS 24 QB CYS 24 0.357 3.051 3.764 208 OH TYR 25 OH TYR 25 -2.436 -4.735 0.113 209 H TYR 25 HN TYR 25 0.340 0.232 2.422 210 HA TYR 25 HA TYR 25 2.919 0.396 1.021 211 1HB TYR 25 2HB TYR 25 2.981 -1.881 0.462 212 2HB TYR 25 3HB TYR 25 2.591 -1.856 2.171 213 HD1 TYR 25 HD1 TYR 25 1.280 -2.506 -1.273 214 HD2 TYR 25 HD2 TYR 25 0.510 -2.727 2.937 215 HE1 TYR 25 HE1 TYR 25 -0.816 -3.748 -1.732 216 HE2 TYR 25 HE2 TYR 25 -1.467 -4.191 2.498 217 HH TYR 25 HH TYR 25 -2.821 -4.546 -0.746 218 QB TYR 25 QB TYR 25 2.786 -1.869 1.316 219 QR TYR 25 QR TYR 25 -0.123 -3.293 0.607 220 H LYS 26 HN LYS 26 2.922 -0.114 -1.127 221 HA LYS 26 HA LYS 26 0.453 0.265 -2.700 222 1HB LYS 26 2HB LYS 26 2.569 2.191 -2.307 223 2HB LYS 26 3HB LYS 26 2.819 1.521 -3.914 224 1HG LYS 26 2HG LYS 26 0.089 2.489 -2.946 225 2HG LYS 26 3HG LYS 26 1.269 3.624 -3.556 226 1HD LYS 26 2HD LYS 26 0.564 1.143 -5.187 227 2HD LYS 26 3HD LYS 26 -0.481 2.561 -5.237 228 1HE LYS 26 2HE LYS 26 2.513 2.848 -5.708 229 2HE LYS 26 3HE LYS 26 1.432 2.398 -7.028 230 1HZ LYS 26 2HZ LYS 26 0.775 4.736 -5.396 231 2HZ LYS 26 3HZ LYS 26 1.908 4.866 -6.595 232 3HZ LYS 26 1HZ LYS 26 0.366 4.404 -6.924 233 QB LYS 26 QB LYS 26 2.694 1.856 -3.111 234 QG LYS 26 QG LYS 26 0.679 3.056 -3.251 235 QD LYS 26 QD LYS 26 0.042 1.852 -5.212 236 QE LYS 26 QE LYS 26 1.973 2.623 -6.368 237 QZ LYS 26 QZ LYS 26 1.016 4.669 -6.305 238 H LYS 27 HN LYS 27 0.370 -1.338 -4.243 239 HA LYS 27 HA LYS 27 2.771 -3.045 -4.750 240 1HB LYS 27 2HB LYS 27 1.337 -4.166 -3.146 241 2HB LYS 27 3HB LYS 27 -0.101 -3.740 -4.080 242 1HG LYS 27 2HG LYS 27 0.835 -5.219 -5.955 243 2HG LYS 27 3HG LYS 27 2.052 -5.772 -4.798 244 1HD LYS 27 2HD LYS 27 0.224 -6.546 -3.282 245 2HD LYS 27 3HD LYS 27 -0.978 -5.839 -4.375 246 1HE LYS 27 2HE LYS 27 0.041 -7.426 -6.196 247 2HE LYS 27 3HE LYS 27 0.767 -8.285 -4.834 248 1HZ LYS 27 1HZ LYS 27 -2.118 -7.766 -5.245 249 2HZ LYS 27 2HZ LYS 27 -1.363 -9.197 -5.496 250 3HZ LYS 27 3HZ LYS 27 -1.483 -8.592 -3.972 251 QB LYS 27 QB LYS 27 0.618 -3.953 -3.613 252 QG LYS 27 QG LYS 27 1.443 -5.496 -5.377 253 QD LYS 27 QD LYS 27 -0.377 -6.193 -3.828 254 QE LYS 27 QE LYS 27 0.404 -7.855 -5.515 255 QZ LYS 27 QZ LYS 27 -1.655 -8.518 -4.904 256 OH TYR 28 OH TYR 28 7.659 -0.784 -6.648 257 H TYR 28 HN TYR 28 2.970 -3.663 -7.022 258 HA TYR 28 HA TYR 28 0.808 -2.838 -8.796 259 1HB TYR 28 2HB TYR 28 2.518 -1.374 -9.946 260 2HB TYR 28 3HB TYR 28 1.781 -0.734 -8.480 261 HD1 TYR 28 HD1 TYR 28 3.119 -0.551 -6.367 262 HD2 TYR 28 HD2 TYR 28 4.897 -1.740 -10.112 263 HE1 TYR 28 HE1 TYR 28 5.363 -0.280 -5.383 264 HE2 TYR 28 HE2 TYR 28 7.148 -1.328 -9.159 265 HH TYR 28 HH TYR 28 7.677 -0.876 -5.688 266 QB TYR 28 QB TYR 28 2.150 -1.054 -9.213 267 QR TYR 28 QR TYR 28 5.132 -0.975 -7.756 268 CH2 TRP 29 CH2 TRP 29 -2.756 -6.340 -8.256 269 H TRP 29 HN TRP 29 0.883 -3.826 -10.822 270 HA TRP 29 HA TRP 29 3.363 -5.179 -11.648 271 1HB TRP 29 2HB TRP 29 2.231 -7.293 -12.031 272 2HB TRP 29 3HB TRP 29 2.309 -6.892 -10.327 273 HD1 TRP 29 HD1 TRP 29 -0.064 -7.738 -13.093 274 HE1 TRP 29 HE1 TRP 29 -2.453 -7.911 -12.235 275 HE3 TRP 29 HE3 TRP 29 0.587 -5.672 -8.445 276 HZ2 TRP 29 HZ2 TRP 29 -3.924 -7.256 -9.825 277 HZ3 TRP 29 HZ3 TRP 29 -1.335 -5.426 -6.920 278 HH2 TRP 29 HH2 TRP 29 -3.594 -6.235 -7.580 279 QB TRP 29 QB TRP 29 2.270 -7.092 -11.179 280 NH1 ARG 30 NH2 ARG 30 7.260 -6.179 -14.667 281 NH2 ARG 30 NH1 ARG 30 7.219 -8.055 -16.026 282 H ARG 30 HN ARG 30 3.418 -5.676 -13.862 283 HA ARG 30 HA ARG 30 2.096 -3.763 -15.488 284 1HB ARG 30 2HB ARG 30 3.674 -6.219 -16.268 285 2HB ARG 30 3HB ARG 30 3.263 -4.851 -17.292 286 1HG ARG 30 2HG ARG 30 4.509 -3.296 -15.848 287 2HG ARG 30 3HG ARG 30 4.988 -4.622 -14.783 288 1HD ARG 30 2HD ARG 30 5.707 -4.291 -17.726 289 2HD ARG 30 3HD ARG 30 6.806 -4.032 -16.383 290 HE ARG 30 HE ARG 30 6.065 -6.523 -17.646 291 1HH1 ARG 30 2HH2 ARG 30 7.067 -5.198 -14.541 292 2HH1 ARG 30 1HH2 ARG 30 7.677 -6.688 -13.899 293 1HH2 ARG 30 2HH1 ARG 30 6.975 -8.504 -16.897 294 2HH2 ARG 30 1HH1 ARG 30 7.702 -8.599 -15.327 295 QB ARG 30 QB ARG 30 3.468 -5.535 -16.780 296 QG ARG 30 QG ARG 30 4.748 -3.959 -15.316 297 QD ARG 30 QD ARG 30 6.256 -4.162 -17.055 298 QH1 ARG 30 QH2 ARG 30 7.372 -5.943 -14.220 299 QH2 ARG 30 QH1 ARG 30 7.339 -8.551 -16.112 300 H ASP 31 HN ASP 31 0.518 -4.044 -17.086 301 HA ASP 31 HA ASP 31 -1.027 -6.599 -17.038 302 1HB ASP 31 2HB ASP 31 -2.892 -5.473 -16.806 303 2HB ASP 31 3HB ASP 31 -1.974 -3.987 -16.582 304 QB ASP 31 QB ASP 31 -2.433 -4.730 -16.694 305 H HIS 32 HN HIS 32 -0.603 -3.927 -19.345 306 HA HIS 32 HA HIS 32 0.746 -5.271 -21.468 307 1HB HIS 32 2HB HIS 32 -2.121 -6.004 -21.096 308 2HB HIS 32 3HB HIS 32 -1.806 -5.292 -22.660 309 HD1 HIS 32 HD1 HIS 32 0.384 -6.467 -24.046 310 HD2 HIS 32 HD2 HIS 32 -1.576 -8.592 -20.969 311 HE1 HIS 32 HE1 HIS 32 0.965 -8.954 -24.387 312 HE2 HIS 32 HE2 HIS 32 -0.239 -10.235 -22.508 313 QB HIS 32 QB HIS 32 -1.963 -5.648 -21.878 314 NH1 ARG 33 NH2 ARG 33 -7.979 -0.553 -22.528 315 NH2 ARG 33 NH1 ARG 33 -7.774 -2.645 -23.510 316 H ARG 33 HN ARG 33 -1.979 -3.090 -20.634 317 HA ARG 33 HA ARG 33 -1.050 -1.175 -22.737 318 1HB ARG 33 2HB ARG 33 -3.141 -0.060 -22.489 319 2HB ARG 33 3HB ARG 33 -3.383 -1.756 -22.928 320 1HG ARG 33 2HG ARG 33 -3.995 -2.293 -20.568 321 2HG ARG 33 3HG ARG 33 -3.666 -0.620 -20.098 322 1HD ARG 33 2HD ARG 33 -6.008 -0.816 -20.317 323 2HD ARG 33 3HD ARG 33 -5.425 0.143 -21.700 324 HE ARG 33 HE ARG 33 -5.565 -2.690 -22.293 325 1HH1 ARG 33 2HH2 ARG 33 -7.596 0.161 -21.925 326 2HH1 ARG 33 1HH2 ARG 33 -8.879 -0.394 -22.956 327 1HH2 ARG 33 2HH1 ARG 33 -7.253 -3.498 -23.655 328 2HH2 ARG 33 1HH1 ARG 33 -8.673 -2.553 -23.960 329 QB ARG 33 QB ARG 33 -3.262 -0.908 -22.708 330 QG ARG 33 QG ARG 33 -3.831 -1.457 -20.333 331 QD ARG 33 QD ARG 33 -5.716 -0.336 -21.009 332 QH1 ARG 33 QH2 ARG 33 -8.237 -0.117 -22.441 333 QH2 ARG 33 QH1 ARG 33 -7.963 -3.025 -23.807 334 H GLY 34 HN GLY 34 -1.401 -1.755 -19.270 335 1HA GLY 34 1HA GLY 34 0.420 0.486 -18.635 336 2HA GLY 34 2HA GLY 34 -1.213 0.524 -17.941 337 QA GLY 34 QA GLY 34 -0.397 0.505 -18.288 338 H THR 35 HN THR 35 -0.211 0.295 -15.898 339 HA THR 35 HA THR 35 0.447 -2.486 -15.150 340 HB THR 35 HB THR 35 2.326 -0.792 -15.277 341 HG1 THR 35 1HG THR 35 3.213 -1.530 -13.277 342 1HG2 THR 35 2HG2 THR 35 1.160 1.169 -14.280 343 2HG2 THR 35 3HG2 THR 35 1.159 0.325 -12.715 344 3HG2 THR 35 1HG2 THR 35 2.690 0.777 -13.479 345 QG2 THR 35 QG2 THR 35 1.670 0.757 -13.491 346 H ILE 36 HN ILE 36 -0.768 -3.312 -13.554 347 HA ILE 36 HA ILE 36 -3.079 -1.785 -12.607 348 HB ILE 36 HB ILE 36 -2.168 -4.643 -12.102 349 1HG1 ILE 36 2HG1 ILE 36 -4.374 -3.458 -13.861 350 2HG1 ILE 36 3HG1 ILE 36 -2.856 -4.171 -14.430 351 1HG2 ILE 36 1HG2 ILE 36 -3.504 -3.754 -10.193 352 2HG2 ILE 36 2HG2 ILE 36 -4.758 -3.215 -11.329 353 3HG2 ILE 36 3HG2 ILE 36 -4.428 -4.942 -11.091 354 1HD1 ILE 36 1HD1 ILE 36 -3.531 -6.357 -13.419 355 2HD1 ILE 36 2HD1 ILE 36 -5.131 -5.654 -13.071 356 3HD1 ILE 36 3HD1 ILE 36 -4.569 -5.794 -14.740 357 QG1 ILE 36 QG1 ILE 36 -3.615 -3.815 -14.145 358 QG2 ILE 36 QG2 ILE 36 -4.230 -3.970 -10.871 359 QD1 ILE 36 QD1 ILE 36 -4.410 -5.935 -13.743 360 H ILE 37 HN ILE 37 -2.905 -0.562 -10.905 361 HA ILE 37 HA ILE 37 -0.837 -0.941 -8.812 362 HB ILE 37 HB ILE 37 -2.914 1.267 -9.151 363 1HG1 ILE 37 2HG1 ILE 37 -1.500 1.411 -11.100 364 2HG1 ILE 37 3HG1 ILE 37 -1.118 2.718 -9.985 365 1HG2 ILE 37 3HG2 ILE 37 -0.491 0.931 -7.361 366 2HG2 ILE 37 1HG2 ILE 37 -1.275 2.502 -7.647 367 3HG2 ILE 37 2HG2 ILE 37 -2.179 1.185 -6.885 368 1HD1 ILE 37 3HD1 ILE 37 0.884 1.412 -9.189 369 2HD1 ILE 37 1HD1 ILE 37 0.507 0.176 -10.415 370 3HD1 ILE 37 2HD1 ILE 37 0.931 1.827 -10.908 371 QG1 ILE 37 QG1 ILE 37 -1.309 2.064 -10.542 372 QG2 ILE 37 QG2 ILE 37 -1.315 1.539 -7.297 373 QD1 ILE 37 QD1 ILE 37 0.774 1.138 -10.171 374 H GLU 38 HN GLU 38 -1.392 -1.493 -6.787 375 HA GLU 38 HA GLU 38 -4.193 -1.732 -5.901 376 1HB GLU 38 2HB GLU 38 -3.225 -3.961 -6.670 377 2HB GLU 38 3HB GLU 38 -1.937 -3.751 -5.465 378 1HG GLU 38 2HG GLU 38 -3.534 -5.236 -4.506 379 2HG GLU 38 3HG GLU 38 -3.863 -3.696 -3.704 380 QB GLU 38 QB GLU 38 -2.581 -3.856 -6.067 381 QG GLU 38 QG GLU 38 -3.699 -4.466 -4.105 382 NH1 ARG 39 NH2 ARG 39 -4.342 3.034 -6.091 383 NH2 ARG 39 NH1 ARG 39 -2.745 4.596 -6.668 384 H ARG 39 HN ARG 39 -4.242 -1.436 -3.461 385 HA ARG 39 HA ARG 39 -1.740 -0.367 -2.277 386 1HB ARG 39 2HB ARG 39 -4.535 0.917 -2.267 387 2HB ARG 39 3HB ARG 39 -3.083 1.471 -1.408 388 1HG ARG 39 2HG ARG 39 -1.930 1.715 -3.548 389 2HG ARG 39 3HG ARG 39 -3.418 1.254 -4.388 390 1HD ARG 39 2HD ARG 39 -4.614 3.206 -3.354 391 2HD ARG 39 3HD ARG 39 -3.186 3.565 -2.429 392 HE ARG 39 HE ARG 39 -2.087 4.380 -4.210 393 1HH1 ARG 39 2HH2 ARG 39 -4.797 2.474 -5.369 394 2HH1 ARG 39 1HH2 ARG 39 -4.773 2.995 -7.014 395 1HH2 ARG 39 2HH1 ARG 39 -2.197 5.386 -6.300 396 2HH2 ARG 39 1HH1 ARG 39 -2.980 4.554 -7.646 397 QB ARG 39 QB ARG 39 -3.809 1.194 -1.837 398 QG ARG 39 QG ARG 39 -2.674 1.484 -3.968 399 QD ARG 39 QD ARG 39 -3.900 3.386 -2.892 400 QH1 ARG 39 QH2 ARG 39 -4.785 2.734 -6.192 401 QH2 ARG 39 QH1 ARG 39 -2.589 4.970 -6.973 402 H GLY 40 HN GLY 40 -1.794 -0.385 0.066 403 1HA GLY 40 1HA GLY 40 -4.110 -0.872 1.453 404 2HA GLY 40 2HA GLY 40 -3.366 -2.469 1.314 405 QA GLY 40 QA GLY 40 -3.738 -1.671 1.384 406 H CYS 41 HN CYS 41 -3.106 -2.291 3.687 407 HA CYS 41 HA CYS 41 -1.499 -0.004 4.699 408 1HB CYS 41 2HB CYS 41 -3.419 0.218 5.622 409 2HB CYS 41 3HB CYS 41 -3.908 -1.496 5.584 410 QB CYS 41 QB CYS 41 -3.664 -0.639 5.603 411 H GLY 42 HN GLY 42 -0.345 -0.470 6.772 412 1HA GLY 42 1HA GLY 42 1.425 -1.624 7.856 413 2HA GLY 42 2HA GLY 42 0.650 -3.117 7.318 414 QA GLY 42 QA GLY 42 1.038 -2.371 7.587 415 H CYS 43 HN CYS 43 2.481 -4.221 6.572 416 HA CYS 43 HA CYS 43 3.427 -3.407 3.928 417 1HB CYS 43 2HB CYS 43 4.978 -2.179 5.402 418 2HB CYS 43 3HB CYS 43 5.445 -3.705 6.163 419 QB CYS 43 QB CYS 43 5.211 -2.942 5.782 420 HA PRO 44 HA PRO 44 3.267 -8.002 4.451 421 1HB PRO 44 2HB PRO 44 1.533 -8.640 2.477 422 2HB PRO 44 3HB PRO 44 0.950 -7.919 4.008 423 1HG PRO 44 2HG PRO 44 1.529 -6.487 1.398 424 2HG PRO 44 3HG PRO 44 0.049 -6.386 2.393 425 1HD PRO 44 2HD PRO 44 2.160 -4.604 2.541 426 2HD PRO 44 3HD PRO 44 1.118 -4.970 3.959 427 QB PRO 44 QB PRO 44 1.241 -8.280 3.242 428 QG PRO 44 QG PRO 44 0.789 -6.437 1.895 429 QD PRO 44 QD PRO 44 1.639 -4.787 3.250 430 H LYS 45 HN LYS 45 3.842 -9.651 2.719 431 HA LYS 45 HA LYS 45 5.837 -8.510 0.814 432 1HB LYS 45 2HB LYS 45 6.764 -9.739 2.588 433 2HB LYS 45 3HB LYS 45 5.721 -11.141 2.318 434 1HG LYS 45 2HG LYS 45 7.633 -10.211 0.152 435 2HG LYS 45 3HG LYS 45 8.302 -10.967 1.577 436 1HD LYS 45 2HD LYS 45 6.114 -12.323 -0.042 437 2HD LYS 45 3HD LYS 45 7.843 -12.506 -0.375 438 1HE LYS 45 2HE LYS 45 8.190 -13.322 1.981 439 2HE LYS 45 3HE LYS 45 6.441 -13.246 2.248 440 1HZ LYS 45 2HZ LYS 45 6.174 -14.840 0.465 441 2HZ LYS 45 3HZ LYS 45 7.808 -14.934 0.263 442 3HZ LYS 45 1HZ LYS 45 7.121 -15.436 1.670 443 QB LYS 45 QB LYS 45 6.243 -10.440 2.453 444 QG LYS 45 QG LYS 45 7.968 -10.589 0.864 445 QD LYS 45 QD LYS 45 6.979 -12.414 -0.208 446 QE LYS 45 QE LYS 45 7.316 -13.284 2.114 447 QZ LYS 45 QZ LYS 45 7.034 -15.070 0.799 448 H VAL 46 HN VAL 46 6.139 -9.767 -1.095 449 HA VAL 46 HA VAL 46 3.666 -10.983 -2.243 450 HB VAL 46 HB VAL 46 3.913 -9.624 -4.265 451 1HG1 VAL 46 3HG1 VAL 46 2.401 -8.878 -2.447 452 2HG1 VAL 46 1HG1 VAL 46 3.704 -7.868 -1.786 453 3HG1 VAL 46 2HG1 VAL 46 3.052 -7.528 -3.397 454 1HG2 VAL 46 3HG2 VAL 46 6.346 -9.118 -4.150 455 2HG2 VAL 46 1HG2 VAL 46 5.363 -7.667 -4.362 456 3HG2 VAL 46 2HG2 VAL 46 6.049 -8.042 -2.768 457 QG1 VAL 46 QG1 VAL 46 3.052 -8.091 -2.543 458 QG2 VAL 46 QG2 VAL 46 5.919 -8.276 -3.760 459 QQG VAL 46 QQG VAL 46 4.486 -8.184 -3.152 460 H LYS 47 HN LYS 47 4.292 -11.706 -4.623 461 HA LYS 47 HA LYS 47 6.710 -13.416 -4.392 462 1HB LYS 47 2HB LYS 47 4.680 -13.537 -6.632 463 2HB LYS 47 3HB LYS 47 5.765 -14.790 -6.046 464 1HG LYS 47 2HG LYS 47 4.452 -14.757 -3.851 465 2HG LYS 47 3HG LYS 47 3.217 -13.850 -4.757 466 1HD LYS 47 2HD LYS 47 3.279 -15.760 -6.489 467 2HD LYS 47 3HD LYS 47 4.376 -16.605 -5.403 468 1HE LYS 47 2HE LYS 47 2.295 -17.558 -4.901 469 2HE LYS 47 3HE LYS 47 2.581 -16.422 -3.578 470 1HZ LYS 47 1HZ LYS 47 0.869 -15.955 -5.942 471 2HZ LYS 47 2HZ LYS 47 0.347 -16.285 -4.422 472 3HZ LYS 47 3HZ LYS 47 1.115 -14.866 -4.732 473 QB LYS 47 QB LYS 47 5.223 -14.163 -6.339 474 QG LYS 47 QG LYS 47 3.834 -14.304 -4.304 475 QD LYS 47 QD LYS 47 3.827 -16.182 -5.946 476 QE LYS 47 QE LYS 47 2.438 -16.990 -4.240 477 QZ LYS 47 QZ LYS 47 0.777 -15.702 -5.032 478 HA PRO 48 HA PRO 48 8.852 -10.672 -7.038 479 1HB PRO 48 2HB PRO 48 10.302 -12.220 -8.806 480 2HB PRO 48 3HB PRO 48 10.648 -12.099 -7.057 481 1HG PRO 48 2HG PRO 48 9.093 -14.250 -8.500 482 2HG PRO 48 3HG PRO 48 10.359 -14.453 -7.253 483 1HD PRO 48 2HD PRO 48 7.713 -14.573 -6.727 484 2HD PRO 48 3HD PRO 48 8.830 -13.889 -5.519 485 QB PRO 48 QB PRO 48 10.475 -12.160 -7.932 486 QG PRO 48 QG PRO 48 9.726 -14.352 -7.876 487 QD PRO 48 QD PRO 48 8.272 -14.231 -6.123 488 H GLY 49 HN GLY 49 9.180 -9.884 -9.327 489 1HA GLY 49 1HA GLY 49 8.518 -9.445 -11.473 490 2HA GLY 49 2HA GLY 49 7.251 -10.654 -11.283 491 QA GLY 49 QA GLY 49 7.884 -10.049 -11.378 492 H VAL 50 HN VAL 50 6.065 -9.884 -8.980 493 HA VAL 50 HA VAL 50 4.540 -7.471 -9.667 494 HB VAL 50 HB VAL 50 4.408 -9.330 -7.252 495 1HG1 VAL 50 3HG1 VAL 50 2.598 -7.036 -8.112 496 2HG1 VAL 50 1HG1 VAL 50 2.212 -8.218 -6.849 497 3HG1 VAL 50 2HG1 VAL 50 3.577 -7.123 -6.637 498 1HG2 VAL 50 2HG2 VAL 50 2.667 -9.124 -9.754 499 2HG2 VAL 50 3HG2 VAL 50 3.731 -10.472 -9.320 500 3HG2 VAL 50 1HG2 VAL 50 2.304 -10.122 -8.336 501 QG1 VAL 50 QG1 VAL 50 2.796 -7.459 -7.200 502 QG2 VAL 50 QG2 VAL 50 2.901 -9.906 -9.137 503 QQG VAL 50 QQG VAL 50 2.848 -8.682 -8.168 504 H GLY 51 HN GLY 51 5.088 -5.433 -9.000 505 1HA GLY 51 1HA GLY 51 7.359 -5.063 -7.320 506 2HA GLY 51 2HA GLY 51 6.495 -3.804 -8.172 507 QA GLY 51 QA GLY 51 6.927 -4.433 -7.746 508 H ILE 52 HN ILE 52 7.232 -3.322 -5.697 509 HA ILE 52 HA ILE 52 4.823 -3.131 -4.055 510 HB ILE 52 HB ILE 52 5.672 -5.408 -3.604 511 1HG1 ILE 52 2HG1 ILE 52 6.007 -5.317 -1.174 512 2HG1 ILE 52 3HG1 ILE 52 6.164 -3.566 -1.222 513 1HG2 ILE 52 3HG2 ILE 52 8.065 -5.028 -4.175 514 2HG2 ILE 52 1HG2 ILE 52 8.260 -4.092 -2.679 515 3HG2 ILE 52 2HG2 ILE 52 7.855 -5.815 -2.612 516 1HD1 ILE 52 2HD1 ILE 52 3.711 -5.142 -2.146 517 2HD1 ILE 52 3HD1 ILE 52 3.897 -4.394 -0.548 518 3HD1 ILE 52 1HD1 ILE 52 3.823 -3.375 -1.991 519 QG1 ILE 52 QG1 ILE 52 6.086 -4.442 -1.198 520 QG2 ILE 52 QG2 ILE 52 8.060 -4.979 -3.156 521 QD1 ILE 52 QD1 ILE 52 3.810 -4.304 -1.562 522 H HIS 53 HN HIS 53 5.057 -1.537 -2.395 523 HA HIS 53 HA HIS 53 7.698 -0.554 -1.681 524 1HB HIS 53 2HB HIS 53 7.179 0.918 -3.621 525 2HB HIS 53 3HB HIS 53 5.597 1.288 -2.919 526 HD1 HIS 53 HD1 HIS 53 5.581 3.470 -1.470 527 HD2 HIS 53 HD2 HIS 53 9.350 1.583 -1.760 528 HE1 HIS 53 HE1 HIS 53 7.248 4.941 -0.177 529 HE2 HIS 53 HE2 HIS 53 9.516 3.764 -0.322 530 QB HIS 53 QB HIS 53 6.388 1.103 -3.270 531 H CYS 54 HN CYS 54 7.601 0.305 0.449 532 HA CYS 54 HA CYS 54 4.927 0.471 1.733 533 1HB CYS 54 2HB CYS 54 7.453 -0.729 2.894 534 2HB CYS 54 3HB CYS 54 5.968 -0.373 3.788 535 QB CYS 54 QB CYS 54 6.711 -0.551 3.341 536 H CYS 55 HN CYS 55 4.835 2.027 3.518 537 HA CYS 55 HA CYS 55 6.951 3.983 3.810 538 1HB CYS 55 2HB CYS 55 5.519 5.852 3.047 539 2HB CYS 55 3HB CYS 55 6.032 4.767 1.778 540 QB CYS 55 QB CYS 55 5.775 5.309 2.412 541 H GLN 56 HN GLN 56 5.997 5.794 5.245 542 HA GLN 56 HA GLN 56 4.688 4.376 7.530 543 1HB GLN 56 2HB GLN 56 7.335 4.258 7.070 544 2HB GLN 56 3HB GLN 56 7.324 5.803 7.911 545 1HG GLN 56 2HG GLN 56 6.135 3.169 8.937 546 2HG GLN 56 3HG GLN 56 7.766 3.735 9.297 547 1HE2 GLN 56 2HE2 GLN 56 6.715 6.316 11.582 548 2HE2 GLN 56 1HE2 GLN 56 7.884 6.027 10.313 549 QB GLN 56 QB GLN 56 7.329 5.031 7.491 550 QG GLN 56 QG GLN 56 6.951 3.452 9.117 551 QE2 GLN 56 QE2 GLN 56 7.299 6.172 10.948 552 H SER 57 HN SER 57 3.488 6.459 6.023 553 HA SER 57 HA SER 57 3.190 8.550 8.068 554 1HB SER 57 2HB SER 57 3.455 10.230 6.072 555 2HB SER 57 3HB SER 57 4.881 9.643 6.949 556 HG SER 57 HG SER 57 5.091 9.540 4.641 557 QB SER 57 QB SER 57 4.168 9.936 6.510 558 H ASP 58 HN ASP 58 1.218 9.814 7.727 559 HA ASP 58 HA ASP 58 -0.882 8.140 6.738 560 1HB ASP 58 2HB ASP 58 -0.864 11.044 7.658 561 2HB ASP 58 3HB ASP 58 -2.323 10.123 7.250 562 QB ASP 58 QB ASP 58 -1.594 10.583 7.454 563 H LYS 59 HN LYS 59 -2.109 8.292 4.948 564 HA LYS 59 HA LYS 59 -2.466 8.494 2.690 565 1HB LYS 59 2HB LYS 59 -1.614 11.394 3.027 566 2HB LYS 59 3HB LYS 59 -2.784 10.730 1.895 567 1HG LYS 59 2HG LYS 59 -4.328 10.238 3.832 568 2HG LYS 59 3HG LYS 59 -3.114 10.914 4.927 569 1HD LYS 59 2HD LYS 59 -4.566 12.709 4.618 570 2HD LYS 59 3HD LYS 59 -3.179 13.052 3.580 571 1HE LYS 59 2HE LYS 59 -4.583 11.956 1.659 572 2HE LYS 59 3HE LYS 59 -5.948 12.027 2.774 573 1HZ LYS 59 2HZ LYS 59 -4.367 14.339 1.860 574 2HZ LYS 59 3HZ LYS 59 -5.829 13.893 1.267 575 3HZ LYS 59 1HZ LYS 59 -5.701 14.406 2.824 576 QB LYS 59 QB LYS 59 -2.199 11.062 2.461 577 QG LYS 59 QG LYS 59 -3.721 10.576 4.380 578 QD LYS 59 QD LYS 59 -3.872 12.881 4.099 579 QE LYS 59 QE LYS 59 -5.265 11.991 2.217 580 QZ LYS 59 QZ LYS 59 -5.299 14.213 1.984 581 H CYS 60 HN CYS 60 0.242 7.654 3.401 582 HA CYS 60 HA CYS 60 2.007 9.042 1.528 583 1HB CYS 60 2HB CYS 60 3.723 7.654 2.374 584 2HB CYS 60 3HB CYS 60 2.693 8.195 3.693 585 QB CYS 60 QB CYS 60 3.208 7.924 3.033 586 H ASN 61 HN ASN 61 0.075 6.065 1.475 587 HA ASN 61 HA ASN 61 1.607 4.967 -0.740 588 1HB ASN 61 2HB ASN 61 0.313 3.007 -0.434 589 2HB ASN 61 3HB ASN 61 0.904 3.556 1.141 590 1HD2 ASN 61 2HD2 ASN 61 -2.842 2.576 1.102 591 2HD2 ASN 61 1HD2 ASN 61 -1.347 1.747 0.612 592 QB ASN 61 QB ASN 61 0.609 3.281 0.353 593 QD2 ASN 61 QD2 ASN 61 -2.094 2.161 0.857 594 OH TYR 62 OH TYR 62 -4.282 12.086 -6.120 595 H TYR 62 HN TYR 62 0.737 7.154 -1.868 596 HA TYR 62 HA TYR 62 -1.980 7.173 -2.697 597 1HB TYR 62 2HB TYR 62 -0.310 9.153 -2.601 598 2HB TYR 62 3HB TYR 62 0.262 8.506 -4.162 599 HD1 TYR 62 HD2 TYR 62 -3.322 8.830 -3.113 600 HD2 TYR 62 HD1 TYR 62 -0.121 10.351 -5.558 601 HE1 TYR 62 HE2 TYR 62 -4.878 10.419 -4.159 602 HE2 TYR 62 HE1 TYR 62 -1.721 11.868 -6.685 603 HH TYR 62 HH TYR 62 -5.156 12.089 -5.728 604 QB TYR 62 QB TYR 62 -0.024 8.829 -3.382 605 QR TYR 62 QR TYR 62 -2.511 10.367 -4.879 Start of MODEL 18 Raw file had 605 H/Q atoms Start of MODEL 18 1 NH1 ARG 1 NH2 ARG 1 1.242 8.578 11.308 2 NH2 ARG 1 NH1 ARG 1 3.359 7.683 11.250 3 H ARG 1 HN ARG 1 -2.272 4.464 11.987 4 HA ARG 1 HA ARG 1 -2.524 6.525 10.580 5 1HB ARG 1 2HB ARG 1 -1.884 3.846 9.301 6 2HB ARG 1 3HB ARG 1 -1.684 5.367 8.426 7 1HG ARG 1 2HG ARG 1 -0.310 5.096 11.117 8 2HG ARG 1 3HG ARG 1 0.307 4.261 9.692 9 1HD ARG 1 2HD ARG 1 0.449 6.289 8.420 10 2HD ARG 1 3HD ARG 1 -0.337 7.204 9.699 11 HE ARG 1 HE ARG 1 2.424 6.019 9.711 12 1HH1 ARG 1 2HH2 ARG 1 0.310 8.685 10.892 13 2HH1 ARG 1 1HH2 ARG 1 1.537 9.336 11.899 14 1HH2 ARG 1 2HH1 ARG 1 4.005 7.060 10.768 15 2HH2 ARG 1 1HH1 ARG 1 3.699 8.348 11.926 16 QB ARG 1 QB ARG 1 -1.784 4.607 8.863 17 QG ARG 1 QG ARG 1 -0.001 4.679 10.404 18 QD ARG 1 QD ARG 1 0.056 6.747 9.060 19 QH1 ARG 1 QH2 ARG 1 0.924 9.011 11.395 20 QH2 ARG 1 QH1 ARG 1 3.852 7.704 11.347 21 H ILE 2 HN ILE 2 -3.391 7.255 8.447 22 HA ILE 2 HA ILE 2 -5.765 5.812 7.395 23 HB ILE 2 HB ILE 2 -5.376 8.813 7.599 24 1HG1 ILE 2 2HG1 ILE 2 -7.274 6.965 9.142 25 2HG1 ILE 2 3HG1 ILE 2 -5.915 7.883 9.805 26 1HG2 ILE 2 2HG2 ILE 2 -6.606 8.093 5.554 27 2HG2 ILE 2 3HG2 ILE 2 -7.762 7.201 6.563 28 3HG2 ILE 2 1HG2 ILE 2 -7.658 8.971 6.645 29 1HD1 ILE 2 2HD1 ILE 2 -7.066 9.997 9.204 30 2HD1 ILE 2 3HD1 ILE 2 -8.486 9.044 8.687 31 3HD1 ILE 2 1HD1 ILE 2 -7.953 8.988 10.369 32 QG1 ILE 2 QG1 ILE 2 -6.594 7.424 9.473 33 QG2 ILE 2 QG2 ILE 2 -7.342 8.088 6.254 34 QD1 ILE 2 QD1 ILE 2 -7.835 9.343 9.420 35 H CYS 3 HN CYS 3 -5.644 5.477 5.219 36 HA CYS 3 HA CYS 3 -3.487 6.701 3.619 37 1HB CYS 3 2HB CYS 3 -3.373 4.001 4.939 38 2HB CYS 3 3HB CYS 3 -2.758 4.104 3.312 39 QB CYS 3 QB CYS 3 -3.066 4.053 4.125 40 OH TYR 4 OH TYR 4 -3.660 11.194 0.010 41 H TYR 4 HN TYR 4 -3.411 5.262 1.438 42 HA TYR 4 HA TYR 4 -6.271 5.254 0.670 43 1HB TYR 4 2HB TYR 4 -4.081 5.215 -1.367 44 2HB TYR 4 3HB TYR 4 -5.753 5.583 -1.444 45 HD1 TYR 4 HD1 TYR 4 -6.655 7.834 -0.685 46 HD2 TYR 4 HD2 TYR 4 -2.521 6.838 -0.167 47 HE1 TYR 4 HE1 TYR 4 -6.105 10.235 -0.424 48 HE2 TYR 4 HE2 TYR 4 -1.929 9.218 -0.131 49 HH TYR 4 HH TYR 4 -2.700 11.287 -0.048 50 QB TYR 4 QB TYR 4 -4.917 5.399 -1.405 51 QR TYR 4 QR TYR 4 -4.302 8.531 -0.352 52 H ASN 5 HN ASN 5 -7.215 3.708 -0.470 53 HA ASN 5 HA ASN 5 -5.997 1.003 -0.683 54 1HB ASN 5 2HB ASN 5 -7.979 -0.020 0.185 55 2HB ASN 5 3HB ASN 5 -7.456 1.163 1.385 56 1HD2 ASN 5 2HD2 ASN 5 -10.229 3.449 0.533 57 2HD2 ASN 5 1HD2 ASN 5 -8.529 3.464 0.990 58 QB ASN 5 QB ASN 5 -7.718 0.572 0.785 59 QD2 ASN 5 QD2 ASN 5 -9.379 3.456 0.762 60 H HIS 6 HN HIS 6 -6.602 3.372 -2.509 61 HA HIS 6 HA HIS 6 -8.646 2.240 -4.344 62 1HB HIS 6 2HB HIS 6 -8.100 4.269 -5.692 63 2HB HIS 6 3HB HIS 6 -8.865 4.507 -4.139 64 HD1 HIS 6 HD1 HIS 6 -7.615 6.510 -2.727 65 HD2 HIS 6 HD2 HIS 6 -5.243 4.560 -5.602 66 HE1 HIS 6 HE1 HIS 6 -5.464 7.969 -3.133 67 HE2 HIS 6 HE2 HIS 6 -4.016 6.669 -4.705 68 QB HIS 6 QB HIS 6 -8.483 4.388 -4.915 69 H GLN 7 HN GLN 7 -7.979 1.774 -6.638 70 HA GLN 7 HA GLN 7 -5.425 0.296 -6.472 71 1HB GLN 7 2HB GLN 7 -7.664 0.108 -8.524 72 2HB GLN 7 3HB GLN 7 -6.329 -1.013 -8.252 73 1HG GLN 7 2HG GLN 7 -7.211 -1.368 -5.910 74 2HG GLN 7 3HG GLN 7 -8.614 -0.395 -6.326 75 1HE2 GLN 7 2HE2 GLN 7 -8.411 -4.269 -7.588 76 2HE2 GLN 7 1HE2 GLN 7 -7.041 -3.557 -6.740 77 QB GLN 7 QB GLN 7 -6.996 -0.452 -8.388 78 QG GLN 7 QG GLN 7 -7.913 -0.881 -6.118 79 QE2 GLN 7 QE2 GLN 7 -7.726 -3.913 -7.164 80 H SER 8 HN SER 8 -5.060 0.189 -9.376 81 HA SER 8 HA SER 8 -4.260 2.884 -10.138 82 1HB SER 8 2HB SER 8 -3.267 0.836 -11.173 83 2HB SER 8 3HB SER 8 -4.834 0.515 -11.960 84 HG SER 8 HG SER 8 -3.175 1.665 -13.174 85 QB SER 8 QB SER 8 -4.050 0.676 -11.567 86 H THR 9 HN THR 9 -5.546 3.420 -12.329 87 HA THR 9 HA THR 9 -7.580 4.277 -13.196 88 HB THR 9 HB THR 9 -8.535 2.053 -14.228 89 HG1 THR 9 1HG THR 9 -7.262 0.277 -13.838 90 1HG2 THR 9 3HG2 THR 9 -5.591 2.796 -14.477 91 2HG2 THR 9 1HG2 THR 9 -6.519 1.793 -15.611 92 3HG2 THR 9 2HG2 THR 9 -6.948 3.499 -15.385 93 QG2 THR 9 QG2 THR 9 -6.353 2.696 -15.158 94 H THR 10 HN THR 10 -8.221 4.005 -10.211 95 HA THR 10 HA THR 10 -11.172 3.666 -10.571 96 HB THR 10 HB THR 10 -11.203 2.434 -8.397 97 HG1 THR 10 1HG THR 10 -8.421 2.170 -8.837 98 1HG2 THR 10 2HG2 THR 10 -11.270 1.238 -10.607 99 2HG2 THR 10 3HG2 THR 10 -9.525 0.986 -10.488 100 3HG2 THR 10 1HG2 THR 10 -10.599 0.282 -9.272 101 QG2 THR 10 QG2 THR 10 -10.465 0.835 -10.122 102 NH1 ARG 11 NH2 ARG 11 -17.005 9.061 -7.014 103 NH2 ARG 11 NH1 ARG 11 -16.630 10.917 -5.678 104 H ARG 11 HN ARG 11 -12.437 4.416 -8.714 105 HA ARG 11 HA ARG 11 -12.034 7.141 -8.251 106 1HB ARG 11 2HB ARG 11 -14.210 5.944 -8.138 107 2HB ARG 11 3HB ARG 11 -13.685 5.117 -6.669 108 1HG ARG 11 2HG ARG 11 -15.196 6.911 -6.120 109 2HG ARG 11 3HG ARG 11 -13.604 7.274 -5.456 110 1HD ARG 11 2HD ARG 11 -13.141 8.853 -7.257 111 2HD ARG 11 3HD ARG 11 -14.623 8.430 -8.106 112 HE ARG 11 HE ARG 11 -14.234 10.167 -5.776 113 1HH1 ARG 11 2HH2 ARG 11 -16.644 8.244 -7.483 114 2HH1 ARG 11 1HH2 ARG 11 -17.997 9.243 -7.052 115 1HH2 ARG 11 2HH1 ARG 11 -16.000 11.528 -5.176 116 2HH2 ARG 11 1HH1 ARG 11 -17.614 11.145 -5.677 117 QB ARG 11 QB ARG 11 -13.948 5.531 -7.403 118 QG ARG 11 QG ARG 11 -14.400 7.092 -5.788 119 QD ARG 11 QD ARG 11 -13.882 8.642 -7.681 120 QH1 ARG 11 QH2 ARG 11 -17.321 8.744 -7.267 121 QH2 ARG 11 QH1 ARG 11 -16.807 11.336 -5.427 122 H ALA 12 HN ALA 12 -10.259 7.984 -7.115 123 HA ALA 12 HA ALA 12 -8.962 6.555 -5.094 124 1HB ALA 12 1HB ALA 12 -8.928 9.549 -5.522 125 2HB ALA 12 2HB ALA 12 -7.926 8.696 -4.347 126 3HB ALA 12 3HB ALA 12 -7.732 8.339 -6.066 127 QB ALA 12 QB ALA 12 -8.195 8.861 -5.312 128 H THR 13 HN THR 13 -9.541 6.002 -3.106 129 HA THR 13 HA THR 13 -11.174 7.775 -1.398 130 HB THR 13 HB THR 13 -12.143 5.569 -0.512 131 HG1 THR 13 1HG THR 13 -11.364 4.553 -3.034 132 1HG2 THR 13 2HG2 THR 13 -13.448 7.094 -2.013 133 2HG2 THR 13 3HG2 THR 13 -12.840 6.194 -3.415 134 3HG2 THR 13 1HG2 THR 13 -13.864 5.381 -2.221 135 QG2 THR 13 QG2 THR 13 -13.384 6.223 -2.550 136 H THR 14 HN THR 14 -10.840 6.890 0.939 137 HA THR 14 HA THR 14 -8.070 5.979 1.434 138 HB THR 14 HB THR 14 -8.491 7.366 3.649 139 HG1 THR 14 1HG THR 14 -10.086 8.791 1.779 140 1HG2 THR 14 3HG2 THR 14 -6.693 7.868 2.029 141 2HG2 THR 14 1HG2 THR 14 -7.835 8.881 1.106 142 3HG2 THR 14 2HG2 THR 14 -7.396 9.312 2.771 143 QG2 THR 14 QG2 THR 14 -7.308 8.687 1.969 144 H LYS 15 HN LYS 15 -7.871 4.899 3.582 145 HA LYS 15 HA LYS 15 -10.308 4.329 5.024 146 1HB LYS 15 2HB LYS 15 -8.622 2.120 3.769 147 2HB LYS 15 3HB LYS 15 -9.454 1.890 5.302 148 1HG LYS 15 2HG LYS 15 -11.611 2.562 4.213 149 2HG LYS 15 3HG LYS 15 -10.787 2.527 2.649 150 1HD LYS 15 2HD LYS 15 -10.102 0.143 3.113 151 2HD LYS 15 3HD LYS 15 -11.072 0.182 4.587 152 1HE LYS 15 2HE LYS 15 -12.032 0.414 1.688 153 2HE LYS 15 3HE LYS 15 -12.312 -0.926 2.802 154 1HZ LYS 15 2HZ LYS 15 -13.383 1.801 3.112 155 2HZ LYS 15 3HZ LYS 15 -14.221 0.494 2.584 156 3HZ LYS 15 1HZ LYS 15 -13.670 0.537 4.133 157 QB LYS 15 QB LYS 15 -9.038 2.005 4.536 158 QG LYS 15 QG LYS 15 -11.199 2.545 3.431 159 QD LYS 15 QD LYS 15 -10.587 0.162 3.850 160 QE LYS 15 QE LYS 15 -12.172 -0.256 2.245 161 QZ LYS 15 QZ LYS 15 -13.758 0.944 3.277 162 H SER 16 HN SER 16 -9.738 3.459 7.143 163 HA SER 16 HA SER 16 -7.288 4.693 8.258 164 1HB SER 16 2HB SER 16 -9.455 5.115 9.308 165 2HB SER 16 3HB SER 16 -9.619 3.382 9.677 166 HG SER 16 HG SER 16 -7.817 3.566 11.014 167 QB SER 16 QB SER 16 -9.537 4.249 9.493 168 H CYS 17 HN CYS 17 -5.930 3.282 9.687 169 HA CYS 17 HA CYS 17 -6.484 0.438 9.808 170 1HB CYS 17 2HB CYS 17 -5.209 0.757 7.626 171 2HB CYS 17 3HB CYS 17 -3.792 1.017 8.678 172 QB CYS 17 QB CYS 17 -4.500 0.887 8.152 173 H GLU 20 HN GLU 20 -5.133 -0.665 11.325 174 HA GLU 20 HA GLU 20 -4.255 0.899 13.562 175 1HB GLU 20 2HB GLU 20 -3.965 -1.314 14.584 176 2HB GLU 20 3HB GLU 20 -5.524 -1.148 13.774 177 1HG GLU 20 2HG GLU 20 -4.385 -2.409 11.755 178 2HG GLU 20 3HG GLU 20 -3.141 -2.818 12.944 179 QB GLU 20 QB GLU 20 -4.745 -1.231 14.179 180 QG GLU 20 QG GLU 20 -3.763 -2.613 12.349 181 H GLU 21 HN GLU 21 -2.610 -0.975 10.989 182 HA GLU 21 HA GLU 21 -0.009 -0.979 11.990 183 1HB GLU 21 2HB GLU 21 -1.060 -0.651 9.187 184 2HB GLU 21 3HB GLU 21 0.628 -0.719 9.451 185 1HG GLU 21 2HG GLU 21 -1.024 -2.945 10.674 186 2HG GLU 21 3HG GLU 21 -0.620 -2.988 8.958 187 QB GLU 21 QB GLU 21 -0.216 -0.685 9.319 188 QG GLU 21 QG GLU 21 -0.822 -2.966 9.816 189 H ASN 22 HN ASN 22 1.784 0.220 11.423 190 HA ASN 22 HA ASN 22 1.445 3.176 11.586 191 1HB ASN 22 2HB ASN 22 3.100 2.149 13.065 192 2HB ASN 22 3HB ASN 22 3.936 1.431 11.681 193 1HD2 ASN 22 2HD2 ASN 22 5.951 4.311 11.343 194 2HD2 ASN 22 1HD2 ASN 22 5.794 2.569 11.199 195 QB ASN 22 QB ASN 22 3.518 1.790 12.373 196 QD2 ASN 22 QD2 ASN 22 5.872 3.440 11.271 197 H SER 23 HN SER 23 2.122 0.605 9.270 198 HA SER 23 HA SER 23 3.326 2.505 7.380 199 1HB SER 23 2HB SER 23 3.377 -0.514 7.397 200 2HB SER 23 3HB SER 23 4.293 0.570 6.361 201 HG SER 23 HG SER 23 5.441 -0.238 8.284 202 QB SER 23 QB SER 23 3.835 0.028 6.879 203 H CYS 24 HN CYS 24 2.921 1.987 5.104 204 HA CYS 24 HA CYS 24 0.327 0.795 4.429 205 1HB CYS 24 2HB CYS 24 1.029 3.651 3.637 206 2HB CYS 24 3HB CYS 24 -0.453 2.759 3.244 207 QB CYS 24 QB CYS 24 0.288 3.205 3.441 208 OH TYR 25 OH TYR 25 -2.780 -4.381 0.147 209 H TYR 25 HN TYR 25 0.327 0.134 2.225 210 HA TYR 25 HA TYR 25 3.002 0.242 0.917 211 1HB TYR 25 2HB TYR 25 2.886 -2.017 0.338 212 2HB TYR 25 3HB TYR 25 2.530 -1.914 2.051 213 HD1 TYR 25 HD1 TYR 25 1.177 -2.666 -1.307 214 HD2 TYR 25 HD2 TYR 25 0.292 -2.480 2.900 215 HE1 TYR 25 HE1 TYR 25 -0.998 -3.767 -1.725 216 HE2 TYR 25 HE2 TYR 25 -1.818 -3.735 2.500 217 HH TYR 25 HH TYR 25 -3.043 -4.399 -0.776 218 QB TYR 25 QB TYR 25 2.708 -1.965 1.194 219 QR TYR 25 QR TYR 25 -0.337 -3.162 0.592 220 H LYS 26 HN LYS 26 3.065 -0.249 -1.285 221 HA LYS 26 HA LYS 26 0.666 0.208 -2.940 222 1HB LYS 26 2HB LYS 26 2.199 2.199 -2.810 223 2HB LYS 26 3HB LYS 26 3.532 1.194 -3.404 224 1HG LYS 26 2HG LYS 26 2.211 0.712 -5.485 225 2HG LYS 26 3HG LYS 26 0.922 1.735 -4.863 226 1HD LYS 26 2HD LYS 26 3.751 2.639 -5.626 227 2HD LYS 26 3HD LYS 26 2.255 2.968 -6.508 228 1HE LYS 26 2HE LYS 26 1.449 3.847 -4.114 229 2HE LYS 26 3HE LYS 26 3.171 4.057 -3.819 230 1HZ LYS 26 3HZ LYS 26 1.912 5.208 -6.216 231 2HZ LYS 26 1HZ LYS 26 1.599 5.823 -4.758 232 3HZ LYS 26 2HZ LYS 26 3.167 5.822 -5.326 233 QB LYS 26 QB LYS 26 2.866 1.697 -3.107 234 QG LYS 26 QG LYS 26 1.567 1.223 -5.174 235 QD LYS 26 QD LYS 26 3.003 2.804 -6.067 236 QE LYS 26 QE LYS 26 2.310 3.952 -3.967 237 QZ LYS 26 QZ LYS 26 2.226 5.618 -5.433 238 H LYS 27 HN LYS 27 0.564 -1.481 -4.512 239 HA LYS 27 HA LYS 27 2.896 -3.297 -4.859 240 1HB LYS 27 2HB LYS 27 1.425 -4.293 -3.181 241 2HB LYS 27 3HB LYS 27 0.023 -4.027 -4.216 242 1HG LYS 27 2HG LYS 27 1.066 -5.602 -5.927 243 2HG LYS 27 3HG LYS 27 2.391 -5.830 -4.793 244 1HD LYS 27 2HD LYS 27 1.023 -7.692 -4.324 245 2HD LYS 27 3HD LYS 27 0.598 -6.539 -3.065 246 1HE LYS 27 2HE LYS 27 -1.451 -7.502 -3.845 247 2HE LYS 27 3HE LYS 27 -1.417 -5.844 -4.430 248 1HZ LYS 27 1HZ LYS 27 -0.655 -6.745 -6.572 249 2HZ LYS 27 2HZ LYS 27 -0.821 -8.274 -5.995 250 3HZ LYS 27 3HZ LYS 27 -2.134 -7.298 -6.142 251 QB LYS 27 QB LYS 27 0.724 -4.160 -3.698 252 QG LYS 27 QG LYS 27 1.729 -5.716 -5.360 253 QD LYS 27 QD LYS 27 0.811 -7.115 -3.695 254 QE LYS 27 QE LYS 27 -1.434 -6.673 -4.138 255 QZ LYS 27 QZ LYS 27 -1.203 -7.439 -6.236 256 OH TYR 28 OH TYR 28 7.965 -1.108 -6.814 257 H TYR 28 HN TYR 28 3.304 -3.384 -7.102 258 HA TYR 28 HA TYR 28 1.061 -2.710 -8.896 259 1HB TYR 28 2HB TYR 28 2.675 -1.152 -10.029 260 2HB TYR 28 3HB TYR 28 2.047 -0.587 -8.509 261 HD1 TYR 28 HD2 TYR 28 3.471 -0.729 -6.421 262 HD2 TYR 28 HD1 TYR 28 5.098 -1.619 -10.302 263 HE1 TYR 28 HE2 TYR 28 5.737 -0.429 -5.521 264 HE2 TYR 28 HE1 TYR 28 7.386 -1.505 -9.350 265 HH TYR 28 HH TYR 28 7.981 -1.132 -5.847 266 QB TYR 28 QB TYR 28 2.361 -0.869 -9.269 267 QR TYR 28 QR TYR 28 5.423 -1.071 -7.898 268 CH2 TRP 29 CH2 TRP 29 -2.716 -5.655 -8.668 269 H TRP 29 HN TRP 29 1.191 -3.461 -10.968 270 HA TRP 29 HA TRP 29 3.513 -4.902 -11.927 271 1HB TRP 29 2HB TRP 29 2.345 -6.977 -12.261 272 2HB TRP 29 3HB TRP 29 2.431 -6.638 -10.550 273 HD1 TRP 29 HD1 TRP 29 0.071 -7.325 -13.356 274 HE1 TRP 29 HE1 TRP 29 -2.362 -7.266 -12.634 275 HE3 TRP 29 HE3 TRP 29 0.687 -5.368 -8.668 276 HZ2 TRP 29 HZ2 TRP 29 -3.879 -6.524 -10.269 277 HZ3 TRP 29 HZ3 TRP 29 -1.290 -4.772 -7.308 278 HH2 TRP 29 HH2 TRP 29 -3.579 -5.405 -8.067 279 QB TRP 29 QB TRP 29 2.388 -6.808 -11.406 280 NH1 ARG 30 NH2 ARG 30 5.507 -7.412 -16.839 281 NH2 ARG 30 NH1 ARG 30 7.760 -7.093 -16.395 282 H ARG 30 HN ARG 30 3.095 -5.490 -14.232 283 HA ARG 30 HA ARG 30 1.970 -3.233 -15.553 284 1HB ARG 30 2HB ARG 30 2.882 -5.919 -16.615 285 2HB ARG 30 3HB ARG 30 2.528 -4.492 -17.575 286 1HG ARG 30 2HG ARG 30 4.284 -3.211 -16.333 287 2HG ARG 30 3HG ARG 30 4.740 -4.691 -15.487 288 1HD ARG 30 2HD ARG 30 4.686 -5.290 -18.333 289 2HD ARG 30 3HD ARG 30 5.489 -3.749 -18.134 290 HE ARG 30 HE ARG 30 7.292 -4.741 -17.170 291 1HH1 ARG 30 2HH2 ARG 30 4.627 -7.034 -17.154 292 2HH1 ARG 30 1HH2 ARG 30 5.549 -8.384 -16.571 293 1HH2 ARG 30 2HH1 ARG 30 8.572 -6.496 -16.361 294 2HH2 ARG 30 1HH1 ARG 30 7.861 -8.054 -16.103 295 QB ARG 30 QB ARG 30 2.705 -5.205 -17.095 296 QG ARG 30 QG ARG 30 4.512 -3.951 -15.910 297 QD ARG 30 QD ARG 30 5.087 -4.519 -18.234 298 QH1 ARG 30 QH2 ARG 30 5.088 -7.709 -16.863 299 QH2 ARG 30 QH1 ARG 30 8.217 -7.275 -16.232 300 H ASP 31 HN ASP 31 0.221 -3.089 -16.938 301 HA ASP 31 HA ASP 31 -1.706 -5.361 -17.035 302 1HB ASP 31 2HB ASP 31 -2.728 -3.378 -15.991 303 2HB ASP 31 3HB ASP 31 -2.316 -2.396 -17.409 304 QB ASP 31 QB ASP 31 -2.522 -2.887 -16.700 305 H HIS 32 HN HIS 32 -2.525 -3.350 -19.442 306 HA HIS 32 HA HIS 32 -0.811 -4.770 -21.445 307 1HB HIS 32 2HB HIS 32 -3.631 -3.653 -21.701 308 2HB HIS 32 3HB HIS 32 -2.756 -4.614 -22.893 309 HD1 HIS 32 HD1 HIS 32 -4.465 -4.951 -19.451 310 HD2 HIS 32 HD2 HIS 32 -2.777 -7.303 -22.539 311 HE1 HIS 32 HE1 HIS 32 -5.069 -7.381 -18.926 312 HE2 HIS 32 HE2 HIS 32 -4.052 -8.812 -20.825 313 QB HIS 32 QB HIS 32 -3.193 -4.134 -22.297 314 NH1 ARG 33 NH2 ARG 33 -4.929 3.539 -22.933 315 NH2 ARG 33 NH1 ARG 33 -4.309 3.837 -25.146 316 H ARG 33 HN ARG 33 -2.553 -1.716 -20.773 317 HA ARG 33 HA ARG 33 -0.531 -0.216 -22.386 318 1HB ARG 33 2HB ARG 33 -2.228 1.237 -23.232 319 2HB ARG 33 3HB ARG 33 -2.601 -0.432 -23.683 320 1HG ARG 33 2HG ARG 33 -4.235 -0.497 -21.714 321 2HG ARG 33 3HG ARG 33 -3.966 1.234 -21.519 322 1HD ARG 33 2HD ARG 33 -5.188 -0.259 -23.857 323 2HD ARG 33 3HD ARG 33 -5.976 0.943 -22.850 324 HE ARG 33 HE ARG 33 -4.367 1.332 -25.217 325 1HH1 ARG 33 2HH2 ARG 33 -5.126 2.911 -22.169 326 2HH1 ARG 33 1HH2 ARG 33 -4.933 4.533 -22.759 327 1HH2 ARG 33 2HH1 ARG 33 -4.080 3.461 -26.054 328 2HH2 ARG 33 1HH1 ARG 33 -4.300 4.841 -25.032 329 QB ARG 33 QB ARG 33 -2.415 0.402 -23.458 330 QG ARG 33 QG ARG 33 -4.100 0.369 -21.616 331 QD ARG 33 QD ARG 33 -5.582 0.342 -23.354 332 QH1 ARG 33 QH2 ARG 33 -5.030 3.722 -22.464 333 QH2 ARG 33 QH1 ARG 33 -4.190 4.151 -25.543 334 H GLY 34 HN GLY 34 -0.420 -0.841 -19.600 335 1HA GLY 34 1HA GLY 34 0.087 1.557 -18.293 336 2HA GLY 34 2HA GLY 34 -1.623 1.171 -17.982 337 QA GLY 34 QA GLY 34 -0.768 1.364 -18.137 338 H THR 35 HN THR 35 -0.767 0.925 -15.712 339 HA THR 35 HA THR 35 0.030 -1.865 -15.191 340 HB THR 35 HB THR 35 1.868 0.022 -15.229 341 HG1 THR 35 1HG THR 35 1.571 -1.968 -13.259 342 1HG2 THR 35 3HG2 THR 35 0.698 1.555 -13.679 343 2HG2 THR 35 1HG2 THR 35 0.911 0.323 -12.389 344 3HG2 THR 35 2HG2 THR 35 2.323 1.085 -13.129 345 QG2 THR 35 QG2 THR 35 1.311 0.988 -13.066 346 H ILE 36 HN ILE 36 -0.709 -2.642 -13.140 347 HA ILE 36 HA ILE 36 -3.040 -1.190 -12.030 348 HB ILE 36 HB ILE 36 -2.025 -3.903 -11.238 349 1HG1 ILE 36 2HG1 ILE 36 -2.494 -4.121 -13.612 350 2HG1 ILE 36 3HG1 ILE 36 -3.694 -4.965 -12.649 351 1HG2 ILE 36 1HG2 ILE 36 -4.659 -2.409 -10.866 352 2HG2 ILE 36 2HG2 ILE 36 -4.489 -4.137 -10.553 353 3HG2 ILE 36 3HG2 ILE 36 -3.538 -2.978 -9.616 354 1HD1 ILE 36 3HD1 ILE 36 -5.317 -3.121 -12.985 355 2HD1 ILE 36 1HD1 ILE 36 -4.117 -2.255 -13.975 356 3HD1 ILE 36 2HD1 ILE 36 -4.759 -3.818 -14.509 357 QG1 ILE 36 QG1 ILE 36 -3.094 -4.543 -13.131 358 QG2 ILE 36 QG2 ILE 36 -4.229 -3.175 -10.345 359 QD1 ILE 36 QD1 ILE 36 -4.731 -3.065 -13.823 360 H ILE 37 HN ILE 37 -2.926 -0.546 -9.759 361 HA ILE 37 HA ILE 37 -0.354 -0.818 -8.324 362 HB ILE 37 HB ILE 37 -1.794 1.839 -8.746 363 1HG1 ILE 37 2HG1 ILE 37 0.745 2.376 -9.526 364 2HG1 ILE 37 3HG1 ILE 37 0.724 0.679 -10.000 365 1HG2 ILE 37 1HG2 ILE 37 -0.616 1.388 -6.461 366 2HG2 ILE 37 2HG2 ILE 37 0.885 1.255 -7.391 367 3HG2 ILE 37 3HG2 ILE 37 -0.022 2.783 -7.369 368 1HD1 ILE 37 2HD1 ILE 37 -1.429 2.674 -10.800 369 2HD1 ILE 37 3HD1 ILE 37 0.073 2.451 -11.708 370 3HD1 ILE 37 1HD1 ILE 37 -1.057 1.091 -11.528 371 QG1 ILE 37 QG1 ILE 37 0.735 1.528 -9.763 372 QG2 ILE 37 QG2 ILE 37 0.082 1.809 -7.073 373 QD1 ILE 37 QD1 ILE 37 -0.804 2.072 -11.345 374 H GLU 38 HN GLU 38 -1.461 -2.290 -6.993 375 HA GLU 38 HA GLU 38 -3.976 -1.557 -5.703 376 1HB GLU 38 2HB GLU 38 -3.168 -3.963 -6.180 377 2HB GLU 38 3HB GLU 38 -1.978 -3.689 -4.885 378 1HG GLU 38 2HG GLU 38 -3.989 -4.929 -4.112 379 2HG GLU 38 3HG GLU 38 -3.887 -3.374 -3.275 380 QB GLU 38 QB GLU 38 -2.573 -3.826 -5.533 381 QG GLU 38 QG GLU 38 -3.938 -4.151 -3.694 382 NH1 ARG 39 NH2 ARG 39 -3.141 3.115 -6.512 383 NH2 ARG 39 NH1 ARG 39 -1.971 5.069 -6.871 384 H ARG 39 HN ARG 39 -4.076 -1.030 -3.348 385 HA ARG 39 HA ARG 39 -1.536 -0.197 -2.088 386 1HB ARG 39 2HB ARG 39 -4.059 1.479 -2.534 387 2HB ARG 39 3HB ARG 39 -2.698 1.922 -1.508 388 1HG ARG 39 2HG ARG 39 -1.196 1.993 -3.395 389 2HG ARG 39 3HG ARG 39 -2.464 1.400 -4.485 390 1HD ARG 39 2HD ARG 39 -3.877 3.392 -3.959 391 2HD ARG 39 3HD ARG 39 -2.727 3.886 -2.784 392 HE ARG 39 HE ARG 39 -1.306 4.668 -4.382 393 1HH1 ARG 39 2HH2 ARG 39 -3.275 2.261 -5.980 394 2HH1 ARG 39 1HH2 ARG 39 -3.718 3.205 -7.343 395 1HH2 ARG 39 2HH1 ARG 39 -1.444 5.855 -6.470 396 2HH2 ARG 39 1HH1 ARG 39 -2.251 5.119 -7.838 397 QB ARG 39 QB ARG 39 -3.379 1.701 -2.021 398 QG ARG 39 QG ARG 39 -1.830 1.697 -3.940 399 QD ARG 39 QD ARG 39 -3.302 3.639 -3.371 400 QH1 ARG 39 QH2 ARG 39 -3.496 2.733 -6.662 401 QH2 ARG 39 QH1 ARG 39 -1.848 5.487 -7.154 402 H GLY 40 HN GLY 40 -1.738 -0.151 0.245 403 1HA GLY 40 1HA GLY 40 -4.259 -0.286 1.520 404 2HA GLY 40 2HA GLY 40 -3.604 -1.933 1.433 405 QA GLY 40 QA GLY 40 -3.931 -1.109 1.477 406 H CYS 41 HN CYS 41 -3.622 -1.736 3.783 407 HA CYS 41 HA CYS 41 -1.736 0.143 5.066 408 1HB CYS 41 2HB CYS 41 -3.419 0.268 6.464 409 2HB CYS 41 3HB CYS 41 -4.281 -1.103 5.755 410 QB CYS 41 QB CYS 41 -3.850 -0.417 6.110 411 H GLY 42 HN GLY 42 -0.218 -0.603 6.617 412 1HA GLY 42 1HA GLY 42 1.287 -2.132 7.562 413 2HA GLY 42 2HA GLY 42 0.541 -3.464 6.667 414 QA GLY 42 QA GLY 42 0.914 -2.798 7.114 415 H CYS 43 HN CYS 43 2.915 -3.945 6.373 416 HA CYS 43 HA CYS 43 3.766 -2.944 3.713 417 1HB CYS 43 2HB CYS 43 5.000 -1.538 5.264 418 2HB CYS 43 3HB CYS 43 5.607 -2.962 6.123 419 QB CYS 43 QB CYS 43 5.303 -2.250 5.693 420 HA PRO 44 HA PRO 44 3.940 -7.507 4.558 421 1HB PRO 44 2HB PRO 44 2.172 -8.451 2.713 422 2HB PRO 44 3HB PRO 44 1.634 -7.703 4.244 423 1HG PRO 44 2HG PRO 44 1.881 -6.372 1.527 424 2HG PRO 44 3HG PRO 44 0.469 -6.356 2.628 425 1HD PRO 44 2HD PRO 44 2.302 -4.333 2.571 426 2HD PRO 44 3HD PRO 44 1.518 -4.848 4.094 427 QB PRO 44 QB PRO 44 1.903 -8.077 3.479 428 QG PRO 44 QG PRO 44 1.175 -6.364 2.077 429 QD PRO 44 QD PRO 44 1.910 -4.590 3.333 430 H LYS 45 HN LYS 45 4.695 -9.274 3.173 431 HA LYS 45 HA LYS 45 6.405 -8.478 0.932 432 1HB LYS 45 2HB LYS 45 7.063 -10.233 2.483 433 2HB LYS 45 3HB LYS 45 5.644 -11.194 2.082 434 1HG LYS 45 2HG LYS 45 7.633 -12.119 1.090 435 2HG LYS 45 3HG LYS 45 6.559 -11.591 -0.176 436 1HD LYS 45 2HD LYS 45 8.829 -11.038 -0.755 437 2HD LYS 45 3HD LYS 45 7.998 -9.509 -0.464 438 1HE LYS 45 2HE LYS 45 8.999 -9.353 1.800 439 2HE LYS 45 3HE LYS 45 9.741 -10.950 1.597 440 1HZ LYS 45 3HZ LYS 45 11.022 -10.003 -0.233 441 2HZ LYS 45 1HZ LYS 45 10.369 -8.517 0.059 442 3HZ LYS 45 2HZ LYS 45 11.311 -9.242 1.193 443 QB LYS 45 QB LYS 45 6.354 -10.713 2.283 444 QG LYS 45 QG LYS 45 7.096 -11.855 0.457 445 QD LYS 45 QD LYS 45 8.414 -10.273 -0.609 446 QE LYS 45 QE LYS 45 9.370 -10.152 1.698 447 QZ LYS 45 QZ LYS 45 10.901 -9.254 0.340 448 H VAL 46 HN VAL 46 6.110 -9.694 -1.094 449 HA VAL 46 HA VAL 46 3.335 -10.298 -1.891 450 HB VAL 46 HB VAL 46 3.495 -8.947 -3.892 451 1HG1 VAL 46 1HG1 VAL 46 2.548 -7.880 -1.856 452 2HG1 VAL 46 2HG1 VAL 46 4.148 -7.239 -1.447 453 3HG1 VAL 46 3HG1 VAL 46 3.336 -6.691 -2.913 454 1HG2 VAL 46 1HG2 VAL 46 5.968 -8.981 -4.239 455 2HG2 VAL 46 2HG2 VAL 46 5.284 -7.367 -4.338 456 3HG2 VAL 46 3HG2 VAL 46 6.154 -7.868 -2.869 457 QG1 VAL 46 QG1 VAL 46 3.344 -7.270 -2.072 458 QG2 VAL 46 QG2 VAL 46 5.802 -8.072 -3.815 459 QQG VAL 46 QQG VAL 46 4.573 -7.671 -2.944 460 H LYS 47 HN LYS 47 3.331 -11.521 -3.933 461 HA LYS 47 HA LYS 47 5.385 -13.507 -4.011 462 1HB LYS 47 2HB LYS 47 4.243 -14.287 -6.058 463 2HB LYS 47 3HB LYS 47 3.172 -14.041 -4.693 464 1HG LYS 47 2HG LYS 47 2.511 -11.796 -5.750 465 2HG LYS 47 3HG LYS 47 3.566 -12.163 -7.101 466 1HD LYS 47 2HD LYS 47 1.055 -13.644 -6.202 467 2HD LYS 47 3HD LYS 47 1.233 -12.668 -7.656 468 1HE LYS 47 2HE LYS 47 2.541 -15.373 -7.057 469 2HE LYS 47 3HE LYS 47 1.263 -15.045 -8.218 470 1HZ LYS 47 3HZ LYS 47 4.011 -13.929 -8.447 471 2HZ LYS 47 1HZ LYS 47 3.436 -15.251 -9.238 472 3HZ LYS 47 2HZ LYS 47 2.784 -13.778 -9.534 473 QB LYS 47 QB LYS 47 3.708 -14.164 -5.375 474 QG LYS 47 QG LYS 47 3.038 -11.979 -6.426 475 QD LYS 47 QD LYS 47 1.144 -13.156 -6.929 476 QE LYS 47 QE LYS 47 1.902 -15.209 -7.637 477 QZ LYS 47 QZ LYS 47 3.411 -14.319 -9.073 478 HA PRO 48 HA PRO 48 8.254 -11.528 -6.770 479 1HB PRO 48 2HB PRO 48 9.335 -13.609 -8.197 480 2HB PRO 48 3HB PRO 48 9.691 -13.294 -6.475 481 1HG PRO 48 2HG PRO 48 7.713 -15.260 -7.619 482 2HG PRO 48 3HG PRO 48 8.902 -15.531 -6.312 483 1HD PRO 48 2HD PRO 48 6.267 -14.975 -5.860 484 2HD PRO 48 3HD PRO 48 7.486 -14.393 -4.725 485 QB PRO 48 QB PRO 48 9.513 -13.451 -7.336 486 QG PRO 48 QG PRO 48 8.308 -15.395 -6.966 487 QD PRO 48 QD PRO 48 6.877 -14.684 -5.292 488 H GLY 49 HN GLY 49 8.556 -11.040 -9.054 489 1HA GLY 49 1HA GLY 49 7.805 -10.373 -11.061 490 2HA GLY 49 2HA GLY 49 6.671 -11.725 -11.050 491 QA GLY 49 QA GLY 49 7.238 -11.049 -11.056 492 H VAL 50 HN VAL 50 6.542 -9.512 -8.321 493 HA VAL 50 HA VAL 50 4.587 -7.686 -9.575 494 HB VAL 50 HB VAL 50 4.147 -9.251 -6.979 495 1HG1 VAL 50 2HG1 VAL 50 2.531 -6.979 -8.200 496 2HG1 VAL 50 3HG1 VAL 50 2.009 -7.995 -6.841 497 3HG1 VAL 50 1HG1 VAL 50 3.421 -6.948 -6.665 498 1HG2 VAL 50 3HG2 VAL 50 2.592 -9.206 -9.605 499 2HG2 VAL 50 1HG2 VAL 50 3.512 -10.576 -8.946 500 3HG2 VAL 50 2HG2 VAL 50 2.057 -10.013 -8.115 501 QG1 VAL 50 QG1 VAL 50 2.654 -7.307 -7.235 502 QG2 VAL 50 QG2 VAL 50 2.720 -9.932 -8.889 503 QQG VAL 50 QQG VAL 50 2.687 -8.620 -8.062 504 H GLY 51 HN GLY 51 5.173 -5.559 -8.982 505 1HA GLY 51 1HA GLY 51 7.464 -5.278 -7.311 506 2HA GLY 51 2HA GLY 51 6.695 -3.983 -8.190 507 QA GLY 51 QA GLY 51 7.079 -4.630 -7.751 508 H ILE 52 HN ILE 52 7.439 -3.504 -5.708 509 HA ILE 52 HA ILE 52 4.969 -3.019 -4.246 510 HB ILE 52 HB ILE 52 5.520 -5.280 -3.572 511 1HG1 ILE 52 2HG1 ILE 52 4.621 -3.468 -1.913 512 2HG1 ILE 52 3HG1 ILE 52 4.978 -5.111 -1.421 513 1HG2 ILE 52 2HG2 ILE 52 8.205 -4.218 -2.619 514 2HG2 ILE 52 3HG2 ILE 52 7.547 -5.832 -2.274 515 3HG2 ILE 52 1HG2 ILE 52 7.910 -5.365 -3.939 516 1HD1 ILE 52 3HD1 ILE 52 6.985 -2.880 -0.977 517 2HD1 ILE 52 1HD1 ILE 52 5.749 -3.381 0.189 518 3HD1 ILE 52 2HD1 ILE 52 6.994 -4.526 -0.324 519 QG1 ILE 52 QG1 ILE 52 4.800 -4.289 -1.667 520 QG2 ILE 52 QG2 ILE 52 7.887 -5.138 -2.944 521 QD1 ILE 52 QD1 ILE 52 6.576 -3.596 -0.371 522 H HIS 53 HN HIS 53 5.197 -1.410 -2.582 523 HA HIS 53 HA HIS 53 7.816 -0.665 -1.711 524 1HB HIS 53 2HB HIS 53 7.393 0.811 -3.814 525 2HB HIS 53 3HB HIS 53 6.100 1.564 -2.904 526 HD1 HIS 53 HD1 HIS 53 7.171 3.945 -2.460 527 HD2 HIS 53 HD2 HIS 53 9.662 0.672 -1.481 528 HE1 HIS 53 HE1 HIS 53 9.211 4.906 -1.233 529 HE2 HIS 53 HE2 HIS 53 10.698 2.905 -0.625 530 QB HIS 53 QB HIS 53 6.746 1.187 -3.359 531 H CYS 54 HN CYS 54 7.559 0.627 0.411 532 HA CYS 54 HA CYS 54 4.836 1.240 1.148 533 1HB CYS 54 2HB CYS 54 4.795 -0.214 2.943 534 2HB CYS 54 3HB CYS 54 5.524 -1.222 1.711 535 QB CYS 54 QB CYS 54 5.159 -0.718 2.327 536 H CYS 55 HN CYS 55 4.761 2.273 3.268 537 HA CYS 55 HA CYS 55 7.036 4.000 3.963 538 1HB CYS 55 2HB CYS 55 5.760 6.036 3.270 539 2HB CYS 55 3HB CYS 55 6.377 5.031 1.982 540 QB CYS 55 QB CYS 55 6.069 5.533 2.626 541 H GLN 56 HN GLN 56 6.215 5.661 5.549 542 HA GLN 56 HA GLN 56 4.498 4.189 7.526 543 1HB GLN 56 2HB GLN 56 7.047 5.721 8.064 544 2HB GLN 56 3HB GLN 56 6.045 4.863 9.227 545 1HG GLN 56 2HG GLN 56 7.680 3.306 8.885 546 2HG GLN 56 3HG GLN 56 6.427 2.746 7.775 547 1HE2 GLN 56 2HE2 GLN 56 8.844 2.779 5.165 548 2HE2 GLN 56 1HE2 GLN 56 7.459 1.986 5.900 549 QB GLN 56 QB GLN 56 6.546 5.292 8.646 550 QG GLN 56 QG GLN 56 7.053 3.026 8.330 551 QE2 GLN 56 QE2 GLN 56 8.152 2.383 5.533 552 H SER 57 HN SER 57 3.878 6.742 5.801 553 HA SER 57 HA SER 57 3.175 8.543 8.082 554 1HB SER 57 2HB SER 57 3.108 9.805 5.454 555 2HB SER 57 3HB SER 57 3.936 10.288 6.927 556 HG SER 57 HG SER 57 5.570 8.730 6.398 557 QB SER 57 QB SER 57 3.522 10.047 6.191 558 H ASP 58 HN ASP 58 1.134 9.603 8.018 559 HA ASP 58 HA ASP 58 -1.083 8.077 7.018 560 1HB ASP 58 2HB ASP 58 -0.790 10.909 8.104 561 2HB ASP 58 3HB ASP 58 -2.327 10.291 7.479 562 QB ASP 58 QB ASP 58 -1.559 10.600 7.791 563 H LYS 59 HN LYS 59 -2.026 8.184 5.056 564 HA LYS 59 HA LYS 59 -2.254 8.492 2.806 565 1HB LYS 59 2HB LYS 59 -1.963 11.367 3.738 566 2HB LYS 59 3HB LYS 59 -2.485 10.895 2.127 567 1HG LYS 59 2HG LYS 59 -4.513 9.907 2.889 568 2HG LYS 59 3HG LYS 59 -3.881 9.713 4.520 569 1HD LYS 59 2HD LYS 59 -5.440 11.388 4.758 570 2HD LYS 59 3HD LYS 59 -3.883 12.191 4.839 571 1HE LYS 59 2HE LYS 59 -5.932 12.203 2.558 572 2HE LYS 59 3HE LYS 59 -5.416 13.553 3.576 573 1HZ LYS 59 3HZ LYS 59 -3.156 13.146 2.540 574 2HZ LYS 59 1HZ LYS 59 -3.953 12.251 1.397 575 3HZ LYS 59 2HZ LYS 59 -4.309 13.842 1.592 576 QB LYS 59 QB LYS 59 -2.224 11.131 2.932 577 QG LYS 59 QG LYS 59 -4.197 9.810 3.704 578 QD LYS 59 QD LYS 59 -4.662 11.790 4.799 579 QE LYS 59 QE LYS 59 -5.674 12.878 3.067 580 QZ LYS 59 QZ LYS 59 -3.806 13.080 1.843 581 H CYS 60 HN CYS 60 0.490 7.892 3.603 582 HA CYS 60 HA CYS 60 2.188 9.334 1.743 583 1HB CYS 60 2HB CYS 60 3.906 7.857 2.431 584 2HB CYS 60 3HB CYS 60 2.934 8.301 3.826 585 QB CYS 60 QB CYS 60 3.420 8.079 3.129 586 H ASN 61 HN ASN 61 0.336 6.276 1.597 587 HA ASN 61 HA ASN 61 1.605 5.496 -0.898 588 1HB ASN 61 2HB ASN 61 0.485 3.427 -0.651 589 2HB ASN 61 3HB ASN 61 1.162 3.858 0.924 590 1HD2 ASN 61 2HD2 ASN 61 -2.488 2.609 1.066 591 2HD2 ASN 61 1HD2 ASN 61 -0.997 1.968 0.361 592 QB ASN 61 QB ASN 61 0.824 3.643 0.136 593 QD2 ASN 61 QD2 ASN 61 -1.743 2.288 0.713 594 OH TYR 62 OH TYR 62 -6.266 11.246 -5.173 595 H TYR 62 HN TYR 62 0.409 7.798 -1.696 596 HA TYR 62 HA TYR 62 -2.186 7.074 -2.992 597 1HB TYR 62 2HB TYR 62 -1.048 9.494 -2.447 598 2HB TYR 62 3HB TYR 62 -0.597 9.285 -4.119 599 HD1 TYR 62 HD1 TYR 62 -2.884 8.264 -5.604 600 HD2 TYR 62 HD2 TYR 62 -2.620 11.205 -2.476 601 HE1 TYR 62 HE1 TYR 62 -5.057 9.149 -6.277 602 HE2 TYR 62 HE2 TYR 62 -4.775 12.162 -3.225 603 HH TYR 62 HH TYR 62 -6.588 10.926 -6.018 604 QB TYR 62 QB TYR 62 -0.823 9.390 -3.283 605 QR TYR 62 QR TYR 62 -3.834 10.195 -4.396 Start of MODEL 19 Raw file had 605 H/Q atoms Start of MODEL 19 1 NH1 ARG 1 NH2 ARG 1 1.139 8.475 11.654 2 NH2 ARG 1 NH1 ARG 1 3.121 7.581 10.867 3 H ARG 1 HN ARG 1 -4.433 4.354 11.884 4 HA ARG 1 HA ARG 1 -3.335 6.940 10.913 5 1HB ARG 1 2HB ARG 1 -2.487 4.100 10.572 6 2HB ARG 1 3HB ARG 1 -2.311 5.129 9.170 7 1HG ARG 1 2HG ARG 1 -1.190 6.066 11.854 8 2HG ARG 1 3HG ARG 1 -0.423 4.822 10.864 9 1HD ARG 1 2HD ARG 1 -0.520 6.423 8.896 10 2HD ARG 1 3HD ARG 1 -0.830 7.715 10.040 11 HE ARG 1 HE ARG 1 1.544 5.901 9.742 12 1HH1 ARG 1 2HH2 ARG 1 0.133 8.448 11.712 13 2HH1 ARG 1 1HH2 ARG 1 1.631 9.161 12.207 14 1HH2 ARG 1 2HH1 ARG 1 3.653 7.048 10.175 15 2HH2 ARG 1 1HH1 ARG 1 3.658 8.212 11.440 16 QB ARG 1 QB ARG 1 -2.399 4.614 9.871 17 QG ARG 1 QG ARG 1 -0.807 5.444 11.359 18 QD ARG 1 QD ARG 1 -0.675 7.069 9.468 19 QH1 ARG 1 QH2 ARG 1 0.882 8.805 11.960 20 QH2 ARG 1 QH1 ARG 1 3.656 7.630 10.808 21 H ILE 2 HN ILE 2 -3.491 6.915 8.371 22 HA ILE 2 HA ILE 2 -5.937 5.647 7.330 23 HB ILE 2 HB ILE 2 -4.875 8.352 6.571 24 1HG1 ILE 2 2HG1 ILE 2 -5.887 8.610 8.800 25 2HG1 ILE 2 3HG1 ILE 2 -6.768 9.474 7.554 26 1HG2 ILE 2 3HG2 ILE 2 -5.983 7.217 4.727 27 2HG2 ILE 2 1HG2 ILE 2 -7.446 7.004 5.706 28 3HG2 ILE 2 2HG2 ILE 2 -6.904 8.635 5.241 29 1HD1 ILE 2 2HD1 ILE 2 -7.619 6.783 8.694 30 2HD1 ILE 2 3HD1 ILE 2 -8.268 8.363 9.157 31 3HD1 ILE 2 1HD1 ILE 2 -8.528 7.759 7.515 32 QG1 ILE 2 QG1 ILE 2 -6.328 9.042 8.177 33 QG2 ILE 2 QG2 ILE 2 -6.777 7.618 5.225 34 QD1 ILE 2 QD1 ILE 2 -8.138 7.635 8.455 35 H CYS 3 HN CYS 3 -5.448 4.672 5.331 36 HA CYS 3 HA CYS 3 -2.787 5.248 4.105 37 1HB CYS 3 2HB CYS 3 -4.043 2.517 4.579 38 2HB CYS 3 3HB CYS 3 -2.704 2.820 3.473 39 QB CYS 3 QB CYS 3 -3.374 2.669 4.026 40 OH TYR 4 OH TYR 4 -4.179 10.992 -1.800 41 H TYR 4 HN TYR 4 -2.798 5.022 1.858 42 HA TYR 4 HA TYR 4 -5.381 5.456 0.588 43 1HB TYR 4 2HB TYR 4 -2.513 5.289 -0.290 44 2HB TYR 4 3HB TYR 4 -3.679 4.922 -1.496 45 HD1 TYR 4 HD1 TYR 4 -5.867 6.882 -1.011 46 HD2 TYR 4 HD2 TYR 4 -1.626 7.445 -0.523 47 HE1 TYR 4 HE1 TYR 4 -6.116 9.229 -1.680 48 HE2 TYR 4 HE2 TYR 4 -1.922 9.863 -0.969 49 HH TYR 4 HH TYR 4 -3.365 11.501 -1.778 50 QB TYR 4 QB TYR 4 -3.096 5.105 -0.893 51 QR TYR 4 QR TYR 4 -3.883 8.355 -1.046 52 H ASN 5 HN ASN 5 -6.588 4.004 -0.561 53 HA ASN 5 HA ASN 5 -5.585 1.208 -0.775 54 1HB ASN 5 2HB ASN 5 -7.817 0.370 -0.598 55 2HB ASN 5 3HB ASN 5 -7.252 1.184 0.862 56 1HD2 ASN 5 2HD2 ASN 5 -10.744 2.211 0.414 57 2HD2 ASN 5 1HD2 ASN 5 -9.964 0.634 0.443 58 QB ASN 5 QB ASN 5 -7.534 0.777 0.132 59 QD2 ASN 5 QD2 ASN 5 -10.354 1.422 0.428 60 H HIS 6 HN HIS 6 -6.913 4.001 -2.491 61 HA HIS 6 HA HIS 6 -8.018 3.095 -4.646 62 1HB HIS 6 2HB HIS 6 -6.989 4.680 -6.178 63 2HB HIS 6 3HB HIS 6 -7.680 5.275 -4.701 64 HD1 HIS 6 HD1 HIS 6 -5.104 6.531 -6.730 65 HD2 HIS 6 HD2 HIS 6 -5.395 5.399 -2.703 66 HE1 HIS 6 HE1 HIS 6 -3.232 7.855 -5.413 67 HE2 HIS 6 HE2 HIS 6 -3.486 7.164 -3.012 68 QB HIS 6 QB HIS 6 -7.334 4.978 -5.440 69 H GLN 7 HN GLN 7 -7.909 1.713 -6.101 70 HA GLN 7 HA GLN 7 -5.372 0.354 -6.848 71 1HB GLN 7 2HB GLN 7 -8.303 -0.299 -7.358 72 2HB GLN 7 3HB GLN 7 -6.942 -1.327 -7.807 73 1HG GLN 7 2HG GLN 7 -6.345 -1.546 -5.368 74 2HG GLN 7 3HG GLN 7 -7.777 -0.583 -4.962 75 1HE2 GLN 7 2HE2 GLN 7 -8.372 -4.358 -6.554 76 2HE2 GLN 7 1HE2 GLN 7 -6.959 -3.438 -7.046 77 QB GLN 7 QB GLN 7 -7.623 -0.813 -7.583 78 QG GLN 7 QG GLN 7 -7.061 -1.064 -5.165 79 QE2 GLN 7 QE2 GLN 7 -7.665 -3.898 -6.800 80 H SER 8 HN SER 8 -5.790 -0.451 -9.375 81 HA SER 8 HA SER 8 -5.970 1.904 -11.035 82 1HB SER 8 2HB SER 8 -6.056 -1.026 -11.786 83 2HB SER 8 3HB SER 8 -6.119 0.324 -12.937 84 HG SER 8 HG SER 8 -3.980 -0.154 -12.701 85 QB SER 8 QB SER 8 -6.087 -0.351 -12.362 86 H THR 9 HN THR 9 -8.156 2.502 -9.883 87 HA THR 9 HA THR 9 -10.374 1.765 -11.688 88 HB THR 9 HB THR 9 -10.873 1.355 -8.723 89 HG1 THR 9 1HG THR 9 -9.825 -0.437 -10.626 90 1HG2 THR 9 1HG2 THR 9 -12.232 0.366 -11.287 91 2HG2 THR 9 2HG2 THR 9 -12.736 -0.036 -9.636 92 3HG2 THR 9 3HG2 THR 9 -12.840 1.638 -10.209 93 QG2 THR 9 QG2 THR 9 -12.603 0.656 -10.377 94 H THR 10 HN THR 10 -9.337 4.030 -11.930 95 HA THR 10 HA THR 10 -9.710 6.346 -11.841 96 HB THR 10 HB THR 10 -11.778 6.964 -12.488 97 HG1 THR 10 1HG THR 10 -13.558 5.360 -12.181 98 1HG2 THR 10 2HG2 THR 10 -10.632 5.335 -14.004 99 2HG2 THR 10 3HG2 THR 10 -11.617 4.034 -13.299 100 3HG2 THR 10 1HG2 THR 10 -12.394 5.360 -14.179 101 QG2 THR 10 QG2 THR 10 -11.548 4.910 -13.827 102 NH1 ARG 11 NH2 ARG 11 -16.574 8.411 -9.397 103 NH2 ARG 11 NH1 ARG 11 -16.883 10.587 -10.126 104 H ARG 11 HN ARG 11 -12.226 6.937 -10.391 105 HA ARG 11 HA ARG 11 -11.370 8.928 -8.741 106 1HB ARG 11 2HB ARG 11 -13.709 8.539 -9.296 107 2HB ARG 11 3HB ARG 11 -13.786 7.171 -8.165 108 1HG ARG 11 2HG ARG 11 -13.289 8.677 -6.274 109 2HG ARG 11 3HG ARG 11 -13.112 10.050 -7.373 110 1HD ARG 11 2HD ARG 11 -15.686 8.460 -6.899 111 2HD ARG 11 3HD ARG 11 -15.264 9.986 -6.160 112 HE ARG 11 HE ARG 11 -15.532 11.182 -8.108 113 1HH1 ARG 11 2HH2 ARG 11 -16.152 7.764 -8.749 114 2HH1 ARG 11 1HH2 ARG 11 -17.118 8.041 -10.162 115 1HH2 ARG 11 2HH1 ARG 11 -16.744 11.581 -10.015 116 2HH2 ARG 11 1HH1 ARG 11 -17.414 10.269 -10.924 117 QB ARG 11 QB ARG 11 -13.748 7.855 -8.731 118 QG ARG 11 QG ARG 11 -13.201 9.363 -6.824 119 QD ARG 11 QD ARG 11 -15.475 9.223 -6.529 120 QH1 ARG 11 QH2 ARG 11 -16.635 7.903 -9.455 121 QH2 ARG 11 QH1 ARG 11 -17.079 10.925 -10.469 122 H ALA 12 HN ALA 12 -9.887 8.972 -7.179 123 HA ALA 12 HA ALA 12 -8.995 6.638 -5.904 124 1HB ALA 12 3HB ALA 12 -7.525 8.539 -6.367 125 2HB ALA 12 1HB ALA 12 -8.429 9.551 -5.219 126 3HB ALA 12 2HB ALA 12 -7.494 8.158 -4.632 127 QB ALA 12 QB ALA 12 -7.816 8.750 -5.406 128 H THR 13 HN THR 13 -8.745 6.257 -3.559 129 HA THR 13 HA THR 13 -10.817 7.210 -1.749 130 HB THR 13 HB THR 13 -11.261 4.721 -1.245 131 HG1 THR 13 1HG THR 13 -10.841 3.317 -2.994 132 1HG2 THR 13 3HG2 THR 13 -12.918 6.179 -2.441 133 2HG2 THR 13 1HG2 THR 13 -12.219 5.657 -3.987 134 3HG2 THR 13 2HG2 THR 13 -12.999 4.476 -2.923 135 QG2 THR 13 QG2 THR 13 -12.712 5.437 -3.117 136 H THR 14 HN THR 14 -10.230 6.738 0.401 137 HA THR 14 HA THR 14 -7.536 5.631 0.996 138 HB THR 14 HB THR 14 -7.842 7.113 3.095 139 HG1 THR 14 1HG THR 14 -10.051 7.577 2.822 140 1HG2 THR 14 2HG2 THR 14 -7.583 8.543 0.420 141 2HG2 THR 14 3HG2 THR 14 -7.149 9.206 2.004 142 3HG2 THR 14 1HG2 THR 14 -6.265 7.808 1.373 143 QG2 THR 14 QG2 THR 14 -6.999 8.519 1.266 144 H LYS 15 HN LYS 15 -7.552 4.626 3.291 145 HA LYS 15 HA LYS 15 -10.171 4.358 4.469 146 1HB LYS 15 2HB LYS 15 -9.789 2.326 2.907 147 2HB LYS 15 3HB LYS 15 -8.629 1.764 4.113 148 1HG LYS 15 2HG LYS 15 -11.248 2.543 5.248 149 2HG LYS 15 3HG LYS 15 -11.445 1.392 3.954 150 1HD LYS 15 2HD LYS 15 -9.463 0.951 6.241 151 2HD LYS 15 3HD LYS 15 -11.145 0.457 6.373 152 1HE LYS 15 2HE LYS 15 -9.191 -0.517 4.216 153 2HE LYS 15 3HE LYS 15 -9.565 -1.367 5.717 154 1HZ LYS 15 3HZ LYS 15 -11.861 -1.502 5.012 155 2HZ LYS 15 1HZ LYS 15 -11.500 -0.766 3.586 156 3HZ LYS 15 2HZ LYS 15 -10.858 -2.232 3.943 157 QB LYS 15 QB LYS 15 -9.209 2.045 3.510 158 QG LYS 15 QG LYS 15 -11.346 1.968 4.601 159 QD LYS 15 QD LYS 15 -10.304 0.704 6.307 160 QE LYS 15 QE LYS 15 -9.378 -0.942 4.967 161 QZ LYS 15 QZ LYS 15 -11.407 -1.500 4.180 162 H SER 16 HN SER 16 -9.814 3.127 6.640 163 HA SER 16 HA SER 16 -7.696 4.627 7.988 164 1HB SER 16 2HB SER 16 -9.887 4.388 9.074 165 2HB SER 16 3HB SER 16 -9.577 2.645 9.272 166 HG SER 16 HG SER 16 -7.846 4.721 10.223 167 QB SER 16 QB SER 16 -9.732 3.516 9.173 168 H CYS 17 HN CYS 17 -6.284 3.441 9.642 169 HA CYS 17 HA CYS 17 -5.450 0.715 8.921 170 1HB CYS 17 2HB CYS 17 -4.244 2.056 7.291 171 2HB CYS 17 3HB CYS 17 -3.651 3.110 8.571 172 QB CYS 17 QB CYS 17 -3.947 2.583 7.931 173 H GLU 20 HN GLU 20 -4.745 -0.298 10.715 174 HA GLU 20 HA GLU 20 -4.659 1.114 13.271 175 1HB GLU 20 2HB GLU 20 -4.557 -1.160 14.173 176 2HB GLU 20 3HB GLU 20 -5.818 -1.019 12.942 177 1HG GLU 20 2HG GLU 20 -4.095 -1.993 11.258 178 2HG GLU 20 3HG GLU 20 -3.146 -2.438 12.687 179 QB GLU 20 QB GLU 20 -5.187 -1.090 13.558 180 QG GLU 20 QG GLU 20 -3.621 -2.216 11.973 181 H GLU 21 HN GLU 21 -2.435 -0.739 11.229 182 HA GLU 21 HA GLU 21 -0.002 -0.425 12.604 183 1HB GLU 21 2HB GLU 21 -0.843 -1.016 9.834 184 2HB GLU 21 3HB GLU 21 0.538 -0.117 9.855 185 1HG GLU 21 2HG GLU 21 0.421 -2.503 11.692 186 2HG GLU 21 3HG GLU 21 0.728 -2.728 9.971 187 QB GLU 21 QB GLU 21 -0.153 -0.566 9.844 188 QG GLU 21 QG GLU 21 0.575 -2.616 10.832 189 H ASN 22 HN ASN 22 1.796 0.800 11.712 190 HA ASN 22 HA ASN 22 1.136 3.716 11.696 191 1HB ASN 22 2HB ASN 22 3.373 4.222 12.114 192 2HB ASN 22 3HB ASN 22 2.884 2.969 13.266 193 1HD2 ASN 22 2HD2 ASN 22 5.367 1.979 10.141 194 2HD2 ASN 22 1HD2 ASN 22 4.630 3.567 10.179 195 QB ASN 22 QB ASN 22 3.128 3.595 12.690 196 QD2 ASN 22 QD2 ASN 22 4.999 2.773 10.160 197 H SER 23 HN SER 23 1.984 0.969 9.604 198 HA SER 23 HA SER 23 3.147 2.839 7.602 199 1HB SER 23 2HB SER 23 3.367 -0.188 7.564 200 2HB SER 23 3HB SER 23 4.423 1.057 6.909 201 HG SER 23 HG SER 23 4.000 0.285 9.641 202 QB SER 23 QB SER 23 3.895 0.435 7.236 203 H CYS 24 HN CYS 24 2.892 2.369 5.361 204 HA CYS 24 HA CYS 24 0.302 1.116 4.607 205 1HB CYS 24 2HB CYS 24 1.210 3.798 3.504 206 2HB CYS 24 3HB CYS 24 -0.292 2.914 3.245 207 QB CYS 24 QB CYS 24 0.459 3.356 3.375 208 OH TYR 25 OH TYR 25 -1.812 -5.193 -0.288 209 H TYR 25 HN TYR 25 0.458 0.072 2.626 210 HA TYR 25 HA TYR 25 3.064 0.253 1.219 211 1HB TYR 25 2HB TYR 25 3.227 -1.971 0.920 212 2HB TYR 25 3HB TYR 25 2.569 -1.916 2.528 213 HD1 TYR 25 HD1 TYR 25 0.164 -2.624 2.908 214 HD2 TYR 25 HD2 TYR 25 2.017 -2.828 -0.982 215 HE1 TYR 25 HE1 TYR 25 -1.532 -4.282 2.168 216 HE2 TYR 25 HE2 TYR 25 0.104 -4.167 -1.799 217 HH TYR 25 HH TYR 25 -2.052 -5.089 -1.227 218 QB TYR 25 QB TYR 25 2.898 -1.943 1.724 219 QR TYR 25 QR TYR 25 0.188 -3.475 0.574 220 H LYS 26 HN LYS 26 3.086 -0.217 -0.990 221 HA LYS 26 HA LYS 26 0.642 0.333 -2.577 222 1HB LYS 26 2HB LYS 26 2.047 2.413 -2.254 223 2HB LYS 26 3HB LYS 26 3.423 1.527 -2.912 224 1HG LYS 26 2HG LYS 26 2.155 1.261 -5.074 225 2HG LYS 26 3HG LYS 26 0.825 2.209 -4.371 226 1HD LYS 26 2HD LYS 26 2.324 4.103 -4.010 227 2HD LYS 26 3HD LYS 26 3.727 3.172 -4.574 228 1HE LYS 26 2HE LYS 26 2.838 3.054 -6.847 229 2HE LYS 26 3HE LYS 26 1.320 3.814 -6.325 230 1HZ LYS 26 3HZ LYS 26 3.947 5.159 -6.225 231 2HZ LYS 26 1HZ LYS 26 2.740 5.451 -7.318 232 3HZ LYS 26 2HZ LYS 26 2.510 5.758 -5.732 233 QB LYS 26 QB LYS 26 2.735 1.970 -2.583 234 QG LYS 26 QG LYS 26 1.490 1.735 -4.723 235 QD LYS 26 QD LYS 26 3.026 3.638 -4.292 236 QE LYS 26 QE LYS 26 2.079 3.434 -6.586 237 QZ LYS 26 QZ LYS 26 3.066 5.456 -6.425 238 H LYS 27 HN LYS 27 0.650 -0.902 -4.522 239 HA LYS 27 HA LYS 27 2.965 -2.649 -5.118 240 1HB LYS 27 2HB LYS 27 1.818 -3.864 -3.456 241 2HB LYS 27 3HB LYS 27 0.256 -3.331 -4.081 242 1HG LYS 27 2HG LYS 27 0.746 -4.892 -6.125 243 2HG LYS 27 3HG LYS 27 2.039 -5.579 -5.109 244 1HD LYS 27 2HD LYS 27 0.379 -5.862 -3.272 245 2HD LYS 27 3HD LYS 27 -0.830 -5.097 -4.293 246 1HE LYS 27 2HE LYS 27 -0.900 -7.010 -5.807 247 2HE LYS 27 3HE LYS 27 0.261 -7.857 -4.786 248 1HZ LYS 27 1HZ LYS 27 -2.229 -6.743 -3.619 249 2HZ LYS 27 2HZ LYS 27 -2.232 -8.222 -4.307 250 3HZ LYS 27 3HZ LYS 27 -1.255 -7.880 -3.022 251 QB LYS 27 QB LYS 27 1.037 -3.597 -3.768 252 QG LYS 27 QG LYS 27 1.392 -5.236 -5.617 253 QD LYS 27 QD LYS 27 -0.226 -5.480 -3.783 254 QE LYS 27 QE LYS 27 -0.320 -7.433 -5.296 255 QZ LYS 27 QZ LYS 27 -1.905 -7.615 -3.649 256 OH TYR 28 OH TYR 28 7.551 0.230 -6.730 257 H TYR 28 HN TYR 28 3.088 -3.158 -7.295 258 HA TYR 28 HA TYR 28 0.888 -2.352 -9.096 259 1HB TYR 28 2HB TYR 28 2.689 -0.968 -10.285 260 2HB TYR 28 3HB TYR 28 1.873 -0.297 -8.877 261 HD1 TYR 28 HD1 TYR 28 3.026 -0.107 -6.695 262 HD2 TYR 28 HD2 TYR 28 5.114 -1.237 -10.289 263 HE1 TYR 28 HE1 TYR 28 5.189 0.407 -5.596 264 HE2 TYR 28 HE2 TYR 28 7.265 -0.651 -9.220 265 HH TYR 28 HH TYR 28 8.313 0.088 -7.298 266 QB TYR 28 QB TYR 28 2.281 -0.633 -9.581 267 QR TYR 28 QR TYR 28 5.149 -0.397 -7.950 268 CH2 TRP 29 CH2 TRP 29 -2.638 -6.129 -8.233 269 H TRP 29 HN TRP 29 0.796 -3.583 -10.893 270 HA TRP 29 HA TRP 29 3.240 -4.773 -11.985 271 1HB TRP 29 2HB TRP 29 2.341 -6.983 -12.072 272 2HB TRP 29 3HB TRP 29 2.442 -6.468 -10.401 273 HD1 TRP 29 HD1 TRP 29 0.149 -7.970 -12.862 274 HE1 TRP 29 HE1 TRP 29 -2.165 -8.336 -11.881 275 HE3 TRP 29 HE3 TRP 29 0.556 -5.028 -8.665 276 HZ2 TRP 29 HZ2 TRP 29 -3.656 -7.525 -9.532 277 HZ3 TRP 29 HZ3 TRP 29 -1.384 -4.728 -7.185 278 HH2 TRP 29 HH2 TRP 29 -3.477 -6.008 -7.562 279 QB TRP 29 QB TRP 29 2.391 -6.725 -11.236 280 NH1 ARG 30 NH2 ARG 30 7.208 -5.387 -17.250 281 NH2 ARG 30 NH1 ARG 30 7.140 -7.568 -18.030 282 H ARG 30 HN ARG 30 2.817 -5.646 -14.167 283 HA ARG 30 HA ARG 30 1.308 -3.783 -15.702 284 1HB ARG 30 2HB ARG 30 2.478 -6.422 -16.647 285 2HB ARG 30 3HB ARG 30 2.140 -4.959 -17.557 286 1HG ARG 30 2HG ARG 30 4.336 -4.498 -17.310 287 2HG ARG 30 3HG ARG 30 3.849 -3.910 -15.725 288 1HD ARG 30 2HD ARG 30 5.622 -5.322 -15.131 289 2HD ARG 30 3HD ARG 30 4.301 -6.450 -14.971 290 HE ARG 30 HE ARG 30 4.953 -7.652 -16.780 291 1HH1 ARG 30 2HH2 ARG 30 6.761 -4.632 -16.751 292 2HH1 ARG 30 1HH2 ARG 30 8.092 -5.212 -17.704 293 1HH2 ARG 30 2HH1 ARG 30 6.696 -8.474 -18.080 294 2HH2 ARG 30 1HH1 ARG 30 8.016 -7.443 -18.516 295 QB ARG 30 QB ARG 30 2.309 -5.690 -17.102 296 QG ARG 30 QG ARG 30 4.092 -4.204 -16.518 297 QD ARG 30 QD ARG 30 4.962 -5.886 -15.051 298 QH1 ARG 30 QH2 ARG 30 7.427 -4.922 -17.228 299 QH2 ARG 30 QH1 ARG 30 7.356 -7.958 -18.298 300 H ASP 31 HN ASP 31 -0.644 -4.082 -16.811 301 HA ASP 31 HA ASP 31 -2.256 -6.502 -16.156 302 1HB ASP 31 2HB ASP 31 -4.098 -5.276 -16.254 303 2HB ASP 31 3HB ASP 31 -3.027 -3.870 -16.095 304 QB ASP 31 QB ASP 31 -3.562 -4.573 -16.175 305 H HIS 32 HN HIS 32 -1.693 -4.430 -18.957 306 HA HIS 32 HA HIS 32 -0.984 -6.456 -20.917 307 1HB HIS 32 2HB HIS 32 -3.308 -7.176 -20.440 308 2HB HIS 32 3HB HIS 32 -3.879 -5.524 -20.617 309 HD1 HIS 32 HD1 HIS 32 -1.715 -5.737 -23.469 310 HD2 HIS 32 HD2 HIS 32 -5.480 -7.289 -22.335 311 HE1 HIS 32 HE1 HIS 32 -2.958 -6.322 -25.648 312 HE2 HIS 32 HE2 HIS 32 -5.247 -7.265 -24.945 313 QB HIS 32 QB HIS 32 -3.594 -6.350 -20.529 314 NH1 ARG 33 NH2 ARG 33 -1.581 2.406 -22.159 315 NH2 ARG 33 NH1 ARG 33 -2.828 4.031 -23.233 316 H ARG 33 HN ARG 33 -2.752 -3.425 -20.246 317 HA ARG 33 HA ARG 33 -1.562 -2.054 -22.615 318 1HB ARG 33 2HB ARG 33 -3.927 -2.281 -22.875 319 2HB ARG 33 3HB ARG 33 -4.224 -1.978 -21.161 320 1HG ARG 33 2HG ARG 33 -4.943 -0.107 -22.439 321 2HG ARG 33 3HG ARG 33 -3.624 0.353 -21.371 322 1HD ARG 33 2HD ARG 33 -2.054 0.093 -23.452 323 2HD ARG 33 3HD ARG 33 -3.521 -0.142 -24.384 324 HE ARG 33 HE ARG 33 -4.028 2.084 -24.254 325 1HH1 ARG 33 2HH2 ARG 33 -1.399 1.427 -21.933 326 2HH1 ARG 33 1HH2 ARG 33 -1.008 3.098 -21.706 327 1HH2 ARG 33 2HH1 ARG 33 -3.571 4.303 -23.860 328 2HH2 ARG 33 1HH1 ARG 33 -2.300 4.762 -22.779 329 QB ARG 33 QB ARG 33 -4.076 -2.129 -22.018 330 QG ARG 33 QG ARG 33 -4.283 0.123 -21.905 331 QD ARG 33 QD ARG 33 -2.788 -0.025 -23.918 332 QH1 ARG 33 QH2 ARG 33 -1.203 2.262 -21.820 333 QH2 ARG 33 QH1 ARG 33 -2.936 4.532 -23.319 334 H GLY 34 HN GLY 34 -2.204 -2.038 -19.129 335 1HA GLY 34 1HA GLY 34 -0.384 0.264 -18.632 336 2HA GLY 34 2HA GLY 34 -2.063 0.281 -18.069 337 QA GLY 34 QA GLY 34 -1.223 0.272 -18.351 338 H THR 35 HN THR 35 -1.364 0.270 -15.979 339 HA THR 35 HA THR 35 -0.035 -2.171 -14.879 340 HB THR 35 HB THR 35 -0.267 0.580 -13.660 341 HG1 THR 35 1HG THR 35 0.956 0.563 -15.641 342 1HG2 THR 35 2HG2 THR 35 0.303 -1.242 -12.055 343 2HG2 THR 35 3HG2 THR 35 1.672 -1.702 -13.096 344 3HG2 THR 35 1HG2 THR 35 1.662 -0.123 -12.307 345 QG2 THR 35 QG2 THR 35 1.212 -1.022 -12.486 346 H ILE 36 HN ILE 36 -1.259 -3.388 -13.413 347 HA ILE 36 HA ILE 36 -3.814 -2.328 -12.351 348 HB ILE 36 HB ILE 36 -2.470 -4.993 -11.830 349 1HG1 ILE 36 2HG1 ILE 36 -4.980 -4.346 -13.451 350 2HG1 ILE 36 3HG1 ILE 36 -3.380 -4.699 -14.122 351 1HG2 ILE 36 2HG2 ILE 36 -5.183 -3.825 -11.003 352 2HG2 ILE 36 3HG2 ILE 36 -4.666 -5.483 -10.680 353 3HG2 ILE 36 1HG2 ILE 36 -3.828 -4.145 -9.908 354 1HD1 ILE 36 1HD1 ILE 36 -3.379 -6.935 -13.185 355 2HD1 ILE 36 2HD1 ILE 36 -4.992 -6.677 -12.480 356 3HD1 ILE 36 3HD1 ILE 36 -4.780 -6.679 -14.231 357 QG1 ILE 36 QG1 ILE 36 -4.180 -4.522 -13.787 358 QG2 ILE 36 QG2 ILE 36 -4.559 -4.484 -10.530 359 QD1 ILE 36 QD1 ILE 36 -4.383 -6.764 -13.299 360 H ILE 37 HN ILE 37 -3.605 -0.955 -10.721 361 HA ILE 37 HA ILE 37 -1.191 -0.901 -9.012 362 HB ILE 37 HB ILE 37 -3.431 1.084 -9.642 363 1HG1 ILE 37 2HG1 ILE 37 -1.809 0.635 -11.558 364 2HG1 ILE 37 3HG1 ILE 37 -1.963 2.299 -11.026 365 1HG2 ILE 37 2HG2 ILE 37 -0.986 1.345 -7.866 366 2HG2 ILE 37 3HG2 ILE 37 -1.872 2.740 -8.522 367 3HG2 ILE 37 1HG2 ILE 37 -2.697 1.581 -7.461 368 1HD1 ILE 37 3HD1 ILE 37 0.263 0.398 -10.227 369 2HD1 ILE 37 1HD1 ILE 37 0.386 1.678 -11.448 370 3HD1 ILE 37 2HD1 ILE 37 0.154 2.111 -9.753 371 QG1 ILE 37 QG1 ILE 37 -1.886 1.467 -11.292 372 QG2 ILE 37 QG2 ILE 37 -1.852 1.889 -7.950 373 QD1 ILE 37 QD1 ILE 37 0.268 1.396 -10.476 374 H GLU 38 HN GLU 38 -1.423 -1.006 -6.745 375 HA GLU 38 HA GLU 38 -4.070 -1.251 -5.510 376 1HB GLU 38 2HB GLU 38 -3.415 -3.506 -6.362 377 2HB GLU 38 3HB GLU 38 -1.948 -3.421 -5.386 378 1HG GLU 38 2HG GLU 38 -4.547 -3.112 -3.890 379 2HG GLU 38 3HG GLU 38 -4.277 -4.659 -4.680 380 QB GLU 38 QB GLU 38 -2.682 -3.463 -5.874 381 QG GLU 38 QG GLU 38 -4.412 -3.885 -4.285 382 NH1 ARG 39 NH2 ARG 39 -2.859 3.848 -6.140 383 NH2 ARG 39 NH1 ARG 39 -1.506 5.579 -5.582 384 H ARG 39 HN ARG 39 -3.821 -1.262 -3.106 385 HA ARG 39 HA ARG 39 -1.281 -0.508 -1.956 386 1HB ARG 39 2HB ARG 39 -3.804 1.198 -1.883 387 2HB ARG 39 3HB ARG 39 -2.625 1.186 -0.586 388 1HG ARG 39 2HG ARG 39 -1.830 2.990 -1.531 389 2HG ARG 39 3HG ARG 39 -0.992 1.885 -2.636 390 1HD ARG 39 2HD ARG 39 -2.927 2.109 -4.151 391 2HD ARG 39 3HD ARG 39 -3.752 3.177 -3.040 392 HE ARG 39 HE ARG 39 -1.433 4.488 -3.282 393 1HH1 ARG 39 2HH2 ARG 39 -3.510 3.125 -5.834 394 2HH1 ARG 39 1HH2 ARG 39 -2.864 4.150 -7.102 395 1HH2 ARG 39 2HH1 ARG 39 -1.411 6.272 -4.865 396 2HH2 ARG 39 1HH1 ARG 39 -0.566 5.523 -5.992 397 QB ARG 39 QB ARG 39 -3.214 1.192 -1.235 398 QG ARG 39 QG ARG 39 -1.411 2.437 -2.083 399 QD ARG 39 QD ARG 39 -3.340 2.643 -3.596 400 QH1 ARG 39 QH2 ARG 39 -3.187 3.638 -6.468 401 QH2 ARG 39 QH1 ARG 39 -0.989 5.898 -5.428 402 H GLY 40 HN GLY 40 -1.441 -0.698 0.420 403 1HA GLY 40 1HA GLY 40 -4.012 -1.105 1.571 404 2HA GLY 40 2HA GLY 40 -3.120 -2.627 1.623 405 QA GLY 40 QA GLY 40 -3.566 -1.866 1.597 406 H CYS 41 HN CYS 41 -3.396 -2.158 3.986 407 HA CYS 41 HA CYS 41 -1.704 -0.014 5.142 408 1HB CYS 41 2HB CYS 41 -3.672 0.159 6.057 409 2HB CYS 41 3HB CYS 41 -4.094 -1.579 6.014 410 QB CYS 41 QB CYS 41 -3.883 -0.710 6.036 411 H GLY 42 HN GLY 42 -0.489 -0.441 6.938 412 1HA GLY 42 1HA GLY 42 1.354 -1.479 7.964 413 2HA GLY 42 2HA GLY 42 0.645 -3.059 7.566 414 QA GLY 42 QA GLY 42 1.000 -2.269 7.765 415 H CYS 43 HN CYS 43 2.834 -3.835 6.959 416 HA CYS 43 HA CYS 43 3.636 -3.091 4.194 417 1HB CYS 43 2HB CYS 43 5.440 -3.528 6.598 418 2HB CYS 43 3HB CYS 43 5.913 -3.365 4.899 419 QB CYS 43 QB CYS 43 5.677 -3.446 5.749 420 HA PRO 44 HA PRO 44 3.281 -7.745 4.809 421 1HB PRO 44 2HB PRO 44 1.461 -8.329 2.856 422 2HB PRO 44 3HB PRO 44 0.960 -7.752 4.472 423 1HG PRO 44 2HG PRO 44 1.328 -6.107 1.950 424 2HG PRO 44 3HG PRO 44 -0.086 -6.137 3.049 425 1HD PRO 44 2HD PRO 44 1.922 -4.255 3.237 426 2HD PRO 44 3HD PRO 44 1.058 -4.859 4.684 427 QB PRO 44 QB PRO 44 1.211 -8.040 3.664 428 QG PRO 44 QG PRO 44 0.621 -6.122 2.499 429 QD PRO 44 QD PRO 44 1.490 -4.557 3.961 430 H LYS 45 HN LYS 45 3.638 -9.379 2.923 431 HA LYS 45 HA LYS 45 5.679 -8.267 1.060 432 1HB LYS 45 2HB LYS 45 6.458 -9.910 2.601 433 2HB LYS 45 3HB LYS 45 5.184 -11.062 2.133 434 1HG LYS 45 2HG LYS 45 6.267 -11.316 -0.076 435 2HG LYS 45 3HG LYS 45 7.418 -10.021 0.324 436 1HD LYS 45 2HD LYS 45 8.494 -12.147 0.533 437 2HD LYS 45 3HD LYS 45 8.342 -11.427 2.144 438 1HE LYS 45 2HE LYS 45 6.393 -12.898 2.635 439 2HE LYS 45 3HE LYS 45 6.437 -13.534 0.979 440 1HZ LYS 45 2HZ LYS 45 8.592 -14.474 1.480 441 2HZ LYS 45 3HZ LYS 45 8.542 -13.876 3.014 442 3HZ LYS 45 1HZ LYS 45 7.459 -15.015 2.539 443 QB LYS 45 QB LYS 45 5.821 -10.486 2.367 444 QG LYS 45 QG LYS 45 6.843 -10.669 0.124 445 QD LYS 45 QD LYS 45 8.418 -11.787 1.339 446 QE LYS 45 QE LYS 45 6.415 -13.216 1.807 447 QZ LYS 45 QZ LYS 45 8.198 -14.455 2.345 448 H VAL 46 HN VAL 46 5.791 -9.288 -1.017 449 HA VAL 46 HA VAL 46 3.151 -9.991 -2.238 450 HB VAL 46 HB VAL 46 3.836 -8.721 -4.234 451 1HG1 VAL 46 2HG1 VAL 46 2.423 -7.650 -2.511 452 2HG1 VAL 46 3HG1 VAL 46 3.869 -7.030 -1.696 453 3HG1 VAL 46 1HG1 VAL 46 3.469 -6.474 -3.331 454 1HG2 VAL 46 3HG2 VAL 46 6.323 -8.834 -3.906 455 2HG2 VAL 46 1HG2 VAL 46 5.730 -7.209 -4.226 456 3HG2 VAL 46 2HG2 VAL 46 6.171 -7.676 -2.570 457 QG1 VAL 46 QG1 VAL 46 3.253 -7.051 -2.513 458 QG2 VAL 46 QG2 VAL 46 6.075 -7.907 -3.567 459 QQG VAL 46 QQG VAL 46 4.664 -7.479 -3.040 460 H LYS 47 HN LYS 47 3.517 -10.953 -4.469 461 HA LYS 47 HA LYS 47 5.482 -13.165 -4.339 462 1HB LYS 47 2HB LYS 47 3.758 -12.675 -6.733 463 2HB LYS 47 3HB LYS 47 4.226 -14.196 -5.979 464 1HG LYS 47 2HG LYS 47 2.116 -14.359 -5.282 465 2HG LYS 47 3HG LYS 47 2.608 -13.263 -4.021 466 1HD LYS 47 2HD LYS 47 0.714 -12.198 -4.821 467 2HD LYS 47 3HD LYS 47 1.929 -11.362 -5.791 468 1HE LYS 47 2HE LYS 47 0.149 -13.714 -6.638 469 2HE LYS 47 3HE LYS 47 -0.017 -12.032 -7.148 470 1HZ LYS 47 3HZ LYS 47 2.140 -12.238 -8.249 471 2HZ LYS 47 1HZ LYS 47 2.220 -13.820 -7.813 472 3HZ LYS 47 2HZ LYS 47 1.042 -13.313 -8.838 473 QB LYS 47 QB LYS 47 3.992 -13.436 -6.356 474 QG LYS 47 QG LYS 47 2.362 -13.811 -4.651 475 QD LYS 47 QD LYS 47 1.322 -11.780 -5.306 476 QE LYS 47 QE LYS 47 0.066 -12.873 -6.893 477 QZ LYS 47 QZ LYS 47 1.801 -13.124 -8.300 478 HA PRO 48 HA PRO 48 8.272 -10.962 -7.022 479 1HB PRO 48 2HB PRO 48 9.274 -12.827 -8.765 480 2HB PRO 48 3HB PRO 48 9.662 -12.813 -7.022 481 1HG PRO 48 2HG PRO 48 7.569 -14.471 -8.436 482 2HG PRO 48 3HG PRO 48 8.791 -15.030 -7.257 483 1HD PRO 48 2HD PRO 48 6.232 -14.474 -6.573 484 2HD PRO 48 3HD PRO 48 7.543 -14.098 -5.428 485 QB PRO 48 QB PRO 48 9.468 -12.820 -7.893 486 QG PRO 48 QG PRO 48 8.180 -14.750 -7.846 487 QD PRO 48 QD PRO 48 6.887 -14.286 -6.001 488 H GLY 49 HN GLY 49 8.647 -10.364 -9.380 489 1HA GLY 49 1HA GLY 49 7.872 -9.534 -11.341 490 2HA GLY 49 2HA GLY 49 6.690 -10.846 -11.354 491 QA GLY 49 QA GLY 49 7.281 -10.190 -11.348 492 H VAL 50 HN VAL 50 6.656 -8.750 -8.564 493 HA VAL 50 HA VAL 50 4.573 -6.940 -9.647 494 HB VAL 50 HB VAL 50 4.421 -8.596 -7.079 495 1HG1 VAL 50 2HG1 VAL 50 2.564 -6.436 -8.151 496 2HG1 VAL 50 3HG1 VAL 50 2.181 -7.527 -6.805 497 3HG1 VAL 50 1HG1 VAL 50 3.528 -6.388 -6.666 498 1HG2 VAL 50 2HG2 VAL 50 2.702 -8.696 -9.592 499 2HG2 VAL 50 3HG2 VAL 50 3.783 -9.970 -8.995 500 3HG2 VAL 50 1HG2 VAL 50 2.341 -9.536 -8.072 501 QG1 VAL 50 QG1 VAL 50 2.758 -6.784 -7.207 502 QG2 VAL 50 QG2 VAL 50 2.942 -9.401 -8.886 503 QQG VAL 50 QQG VAL 50 2.850 -8.092 -8.047 504 H GLY 51 HN GLY 51 5.308 -4.841 -9.169 505 1HA GLY 51 1HA GLY 51 7.551 -4.566 -7.438 506 2HA GLY 51 2HA GLY 51 6.758 -3.225 -8.217 507 QA GLY 51 QA GLY 51 7.154 -3.895 -7.828 508 H ILE 52 HN ILE 52 7.491 -3.016 -5.686 509 HA ILE 52 HA ILE 52 5.015 -2.673 -4.197 510 HB ILE 52 HB ILE 52 5.549 -4.991 -3.746 511 1HG1 ILE 52 2HG1 ILE 52 4.627 -3.372 -1.938 512 2HG1 ILE 52 3HG1 ILE 52 5.041 -5.036 -1.565 513 1HG2 ILE 52 1HG2 ILE 52 7.947 -5.049 -4.103 514 2HG2 ILE 52 2HG2 ILE 52 8.236 -4.058 -2.663 515 3HG2 ILE 52 3HG2 ILE 52 7.566 -5.689 -2.503 516 1HD1 ILE 52 1HD1 ILE 52 6.924 -2.741 -0.915 517 2HD1 ILE 52 2HD1 ILE 52 5.727 -3.433 0.187 518 3HD1 ILE 52 3HD1 ILE 52 7.045 -4.439 -0.425 519 QG1 ILE 52 QG1 ILE 52 4.834 -4.204 -1.751 520 QG2 ILE 52 QG2 ILE 52 7.917 -4.932 -3.090 521 QD1 ILE 52 QD1 ILE 52 6.565 -3.538 -0.384 522 H HIS 53 HN HIS 53 5.198 -1.180 -2.488 523 HA HIS 53 HA HIS 53 7.861 -0.316 -1.612 524 1HB HIS 53 2HB HIS 53 7.253 1.159 -3.578 525 2HB HIS 53 3HB HIS 53 5.808 1.666 -2.706 526 HD1 HIS 53 HD1 HIS 53 9.646 1.986 -2.534 527 HD2 HIS 53 HD2 HIS 53 6.131 3.422 -0.683 528 HE1 HIS 53 HE1 HIS 53 10.373 3.847 -0.909 529 HE2 HIS 53 HE2 HIS 53 8.226 4.689 0.221 530 QB HIS 53 QB HIS 53 6.531 1.412 -3.142 531 H CYS 54 HN CYS 54 7.691 0.549 0.589 532 HA CYS 54 HA CYS 54 4.978 0.927 1.652 533 1HB CYS 54 2HB CYS 54 5.890 -1.364 2.425 534 2HB CYS 54 3HB CYS 54 7.083 -0.398 3.364 535 QB CYS 54 QB CYS 54 6.486 -0.881 2.895 536 H CYS 55 HN CYS 55 5.017 2.237 3.655 537 HA CYS 55 HA CYS 55 7.331 3.850 4.264 538 1HB CYS 55 2HB CYS 55 6.171 5.981 3.551 539 2HB CYS 55 3HB CYS 55 6.863 4.988 2.285 540 QB CYS 55 QB CYS 55 6.517 5.484 2.918 541 H GLN 56 HN GLN 56 6.688 5.520 5.867 542 HA GLN 56 HA GLN 56 4.768 4.212 7.757 543 1HB GLN 56 2HB GLN 56 7.444 5.537 8.274 544 2HB GLN 56 3HB GLN 56 6.339 4.936 9.514 545 1HG GLN 56 2HG GLN 56 7.899 3.215 9.269 546 2HG GLN 56 3HG GLN 56 6.444 2.644 8.448 547 1HE2 GLN 56 2HE2 GLN 56 9.738 3.645 6.158 548 2HE2 GLN 56 1HE2 GLN 56 9.465 4.491 7.671 549 QB GLN 56 QB GLN 56 6.891 5.237 8.894 550 QG GLN 56 QG GLN 56 7.172 2.930 8.858 551 QE2 GLN 56 QE2 GLN 56 9.601 4.068 6.914 552 H SER 57 HN SER 57 3.638 6.291 6.160 553 HA SER 57 HA SER 57 2.905 8.136 8.329 554 1HB SER 57 2HB SER 57 4.232 9.088 5.776 555 2HB SER 57 3HB SER 57 3.230 10.137 6.791 556 HG SER 57 HG SER 57 5.208 8.616 8.073 557 QB SER 57 QB SER 57 3.731 9.613 6.283 558 H ASP 58 HN ASP 58 1.009 9.378 7.897 559 HA ASP 58 HA ASP 58 -0.963 7.620 6.892 560 1HB ASP 58 2HB ASP 58 -2.227 8.842 8.217 561 2HB ASP 58 3HB ASP 58 -0.952 10.056 8.410 562 QB ASP 58 QB ASP 58 -1.590 9.449 8.314 563 H LYS 59 HN LYS 59 -2.107 7.608 5.051 564 HA LYS 59 HA LYS 59 -2.284 7.555 2.742 565 1HB LYS 59 2HB LYS 59 -1.878 10.557 3.073 566 2HB LYS 59 3HB LYS 59 -2.615 9.743 1.684 567 1HG LYS 59 2HG LYS 59 -4.444 8.926 3.063 568 2HG LYS 59 3HG LYS 59 -3.774 9.699 4.490 569 1HD LYS 59 2HD LYS 59 -3.887 11.655 2.317 570 2HD LYS 59 3HD LYS 59 -5.431 10.845 2.402 571 1HE LYS 59 2HE LYS 59 -5.365 12.938 3.699 572 2HE LYS 59 3HE LYS 59 -5.778 11.541 4.705 573 1HZ LYS 59 3HZ LYS 59 -2.981 12.500 4.607 574 2HZ LYS 59 1HZ LYS 59 -4.084 13.158 5.624 575 3HZ LYS 59 2HZ LYS 59 -3.724 11.586 5.705 576 QB LYS 59 QB LYS 59 -2.246 10.150 2.378 577 QG LYS 59 QG LYS 59 -4.109 9.313 3.776 578 QD LYS 59 QD LYS 59 -4.659 11.250 2.359 579 QE LYS 59 QE LYS 59 -5.571 12.240 4.202 580 QZ LYS 59 QZ LYS 59 -3.596 12.415 5.312 581 H CYS 60 HN CYS 60 0.703 7.551 3.829 582 HA CYS 60 HA CYS 60 2.199 9.050 1.968 583 1HB CYS 60 2HB CYS 60 4.107 7.848 2.766 584 2HB CYS 60 3HB CYS 60 3.004 8.145 4.101 585 QB CYS 60 QB CYS 60 3.555 7.996 3.434 586 H ASN 61 HN ASN 61 0.685 5.923 1.614 587 HA ASN 61 HA ASN 61 2.352 4.997 -0.569 588 1HB ASN 61 2HB ASN 61 0.809 3.076 -0.562 589 2HB ASN 61 3HB ASN 61 1.536 3.398 1.014 590 1HD2 ASN 61 2HD2 ASN 61 -2.249 2.663 1.144 591 2HD2 ASN 61 1HD2 ASN 61 -0.835 1.832 0.520 592 QB ASN 61 QB ASN 61 1.172 3.237 0.226 593 QD2 ASN 61 QD2 ASN 61 -1.542 2.248 0.832 594 OH TYR 62 OH TYR 62 -1.811 11.366 -7.938 595 H TYR 62 HN TYR 62 1.710 7.284 -1.566 596 HA TYR 62 HA TYR 62 -0.599 6.887 -3.390 597 1HB TYR 62 2HB TYR 62 -0.385 9.099 -2.441 598 2HB TYR 62 3HB TYR 62 1.190 9.262 -3.179 599 HD1 TYR 62 HD1 TYR 62 1.515 9.254 -5.662 600 HD2 TYR 62 HD2 TYR 62 -2.312 9.745 -3.732 601 HE1 TYR 62 HE1 TYR 62 0.662 10.431 -7.653 602 HE2 TYR 62 HE2 TYR 62 -3.185 10.855 -5.770 603 HH TYR 62 HH TYR 62 -1.145 11.532 -8.609 604 QB TYR 62 QB TYR 62 0.403 9.181 -2.810 605 QR TYR 62 QR TYR 62 -0.830 10.071 -5.705 Start of MODEL 20 Raw file had 605 H/Q atoms Start of MODEL 20 1 NH1 ARG 1 NH2 ARG 1 1.516 8.667 11.462 2 NH2 ARG 1 NH1 ARG 1 3.325 7.323 10.983 3 H ARG 1 HN ARG 1 -3.811 3.593 11.188 4 HA ARG 1 HA ARG 1 -2.828 6.361 10.998 5 1HB ARG 1 2HB ARG 1 -1.076 4.427 10.590 6 2HB ARG 1 3HB ARG 1 -1.984 4.114 9.108 7 1HG ARG 1 2HG ARG 1 -0.129 5.500 8.519 8 2HG ARG 1 3HG ARG 1 -1.544 6.510 8.479 9 1HD ARG 1 2HD ARG 1 -0.350 7.922 9.708 10 2HD ARG 1 3HD ARG 1 -0.768 6.930 11.108 11 HE ARG 1 HE ARG 1 1.533 5.756 10.036 12 1HH1 ARG 1 2HH2 ARG 1 0.516 8.815 11.455 13 2HH1 ARG 1 1HH2 ARG 1 2.111 9.377 11.862 14 1HH2 ARG 1 2HH1 ARG 1 3.727 6.450 10.615 15 2HH2 ARG 1 1HH1 ARG 1 3.982 8.019 11.297 16 QB ARG 1 QB ARG 1 -1.530 4.270 9.849 17 QG ARG 1 QG ARG 1 -0.837 6.005 8.499 18 QD ARG 1 QD ARG 1 -0.559 7.426 10.408 19 QH1 ARG 1 QH2 ARG 1 1.313 9.096 11.658 20 QH2 ARG 1 QH1 ARG 1 3.855 7.234 10.956 21 H ILE 2 HN ILE 2 -3.333 7.340 8.718 22 HA ILE 2 HA ILE 2 -5.740 6.133 7.462 23 HB ILE 2 HB ILE 2 -4.443 8.858 7.234 24 1HG1 ILE 2 2HG1 ILE 2 -6.602 9.746 8.035 25 2HG1 ILE 2 3HG1 ILE 2 -7.258 8.119 8.225 26 1HG2 ILE 2 2HG2 ILE 2 -6.888 7.686 5.810 27 2HG2 ILE 2 3HG2 ILE 2 -6.416 9.395 5.757 28 3HG2 ILE 2 1HG2 ILE 2 -5.370 8.177 5.041 29 1HD1 ILE 2 3HD1 ILE 2 -4.858 9.134 9.796 30 2HD1 ILE 2 1HD1 ILE 2 -6.538 9.350 10.323 31 3HD1 ILE 2 2HD1 ILE 2 -5.893 7.718 10.150 32 QG1 ILE 2 QG1 ILE 2 -6.930 8.932 8.130 33 QG2 ILE 2 QG2 ILE 2 -6.225 8.419 5.536 34 QD1 ILE 2 QD1 ILE 2 -5.763 8.734 10.090 35 H CYS 3 HN CYS 3 -5.539 5.424 5.300 36 HA CYS 3 HA CYS 3 -2.923 5.844 3.946 37 1HB CYS 3 2HB CYS 3 -4.370 3.180 4.119 38 2HB CYS 3 3HB CYS 3 -2.995 3.550 3.076 39 QB CYS 3 QB CYS 3 -3.683 3.365 3.597 40 OH TYR 4 OH TYR 4 -3.708 11.864 -0.272 41 H TYR 4 HN TYR 4 -3.194 5.688 1.538 42 HA TYR 4 HA TYR 4 -6.020 6.014 0.703 43 1HB TYR 4 2HB TYR 4 -3.727 5.787 -1.285 44 2HB TYR 4 3HB TYR 4 -5.413 6.110 -1.442 45 HD1 TYR 4 HD2 TYR 4 -6.371 8.297 -1.121 46 HD2 TYR 4 HD1 TYR 4 -2.231 7.564 -0.178 47 HE1 TYR 4 HE2 TYR 4 -5.998 10.722 -0.925 48 HE2 TYR 4 HE1 TYR 4 -1.832 10.006 -0.118 49 HH TYR 4 HH TYR 4 -4.409 12.389 -0.663 50 QB TYR 4 QB TYR 4 -4.570 5.948 -1.363 51 QR TYR 4 QR TYR 4 -4.108 9.147 -0.586 52 H ASN 5 HN ASN 5 -7.123 4.248 -0.310 53 HA ASN 5 HA ASN 5 -5.688 1.613 -0.340 54 1HB ASN 5 2HB ASN 5 -7.736 0.554 0.226 55 2HB ASN 5 3HB ASN 5 -7.389 1.782 1.452 56 1HD2 ASN 5 2HD2 ASN 5 -11.001 1.868 0.001 57 2HD2 ASN 5 1HD2 ASN 5 -9.972 0.473 0.281 58 QB ASN 5 QB ASN 5 -7.562 1.168 0.839 59 QD2 ASN 5 QD2 ASN 5 -10.486 1.171 0.141 60 H HIS 6 HN HIS 6 -6.452 3.993 -2.345 61 HA HIS 6 HA HIS 6 -8.284 2.826 -4.134 62 1HB HIS 6 2HB HIS 6 -7.478 4.615 -5.728 63 2HB HIS 6 3HB HIS 6 -8.200 5.042 -4.193 64 HD1 HIS 6 HD1 HIS 6 -6.944 7.096 -3.072 65 HD2 HIS 6 HD2 HIS 6 -4.539 4.688 -5.518 66 HE1 HIS 6 HE1 HIS 6 -4.635 8.334 -3.424 67 HE2 HIS 6 HE2 HIS 6 -3.212 6.772 -4.804 68 QB HIS 6 QB HIS 6 -7.839 4.828 -4.961 69 H GLN 7 HN GLN 7 -8.181 1.665 -5.922 70 HA GLN 7 HA GLN 7 -5.648 0.294 -6.709 71 1HB GLN 7 2HB GLN 7 -7.001 -1.118 -5.292 72 2HB GLN 7 3HB GLN 7 -8.475 -0.704 -6.179 73 1HG GLN 7 2HG GLN 7 -7.555 -1.971 -8.161 74 2HG GLN 7 3HG GLN 7 -6.212 -2.499 -7.131 75 1HE2 GLN 7 2HE2 GLN 7 -8.217 -4.753 -5.218 76 2HE2 GLN 7 1HE2 GLN 7 -6.737 -3.815 -5.188 77 QB GLN 7 QB GLN 7 -7.738 -0.911 -5.736 78 QG GLN 7 QG GLN 7 -6.884 -2.235 -7.646 79 QE2 GLN 7 QE2 GLN 7 -7.477 -4.284 -5.203 80 H SER 8 HN SER 8 -5.797 -0.520 -8.970 81 HA SER 8 HA SER 8 -6.551 1.501 -10.778 82 1HB SER 8 2HB SER 8 -5.742 -1.376 -11.192 83 2HB SER 8 3HB SER 8 -6.368 -0.435 -12.550 84 HG SER 8 HG SER 8 -4.266 0.006 -12.652 85 QB SER 8 QB SER 8 -6.055 -0.905 -11.871 86 H THR 9 HN THR 9 -8.733 1.989 -10.449 87 HA THR 9 HA THR 9 -10.723 0.248 -11.817 88 HB THR 9 HB THR 9 -12.265 0.600 -9.860 89 HG1 THR 9 1HG THR 9 -9.853 1.337 -8.522 90 1HG2 THR 9 3HG2 THR 9 -11.000 -1.573 -10.130 91 2HG2 THR 9 1HG2 THR 9 -9.820 -0.965 -8.950 92 3HG2 THR 9 2HG2 THR 9 -11.509 -1.179 -8.480 93 QG2 THR 9 QG2 THR 9 -10.776 -1.239 -9.186 94 H THR 10 HN THR 10 -10.219 3.195 -9.888 95 HA THR 10 HA THR 10 -11.933 4.896 -11.566 96 HB THR 10 HB THR 10 -13.644 4.975 -9.645 97 HG1 THR 10 1HG THR 10 -12.172 2.687 -8.837 98 1HG2 THR 10 2HG2 THR 10 -14.088 3.743 -11.799 99 2HG2 THR 10 3HG2 THR 10 -13.681 2.246 -10.931 100 3HG2 THR 10 1HG2 THR 10 -15.015 3.248 -10.373 101 QG2 THR 10 QG2 THR 10 -14.261 3.079 -11.034 102 NH1 ARG 11 NH2 ARG 11 -13.883 10.109 -4.755 103 NH2 ARG 11 NH1 ARG 11 -13.625 12.327 -4.134 104 H ARG 11 HN ARG 11 -12.665 6.787 -9.998 105 HA ARG 11 HA ARG 11 -10.590 8.414 -9.264 106 1HB ARG 11 2HB ARG 11 -12.926 9.109 -9.554 107 2HB ARG 11 3HB ARG 11 -13.398 8.170 -8.127 108 1HG ARG 11 2HG ARG 11 -12.014 9.661 -6.696 109 2HG ARG 11 3HG ARG 11 -11.571 10.618 -8.118 110 1HD ARG 11 2HD ARG 11 -13.804 11.378 -8.434 111 2HD ARG 11 3HD ARG 11 -14.502 10.147 -7.392 112 HE ARG 11 HE ARG 11 -13.385 12.705 -6.615 113 1HH1 ARG 11 2HH2 ARG 11 -13.848 9.404 -5.476 114 2HH1 ARG 11 1HH2 ARG 11 -13.950 9.808 -3.795 115 1HH2 ARG 11 2HH1 ARG 11 -13.468 13.295 -4.373 116 2HH2 ARG 11 1HH1 ARG 11 -13.731 12.087 -3.159 117 QB ARG 11 QB ARG 11 -13.162 8.640 -8.840 118 QG ARG 11 QG ARG 11 -11.793 10.139 -7.407 119 QD ARG 11 QD ARG 11 -14.153 10.763 -7.913 120 QH1 ARG 11 QH2 ARG 11 -13.899 9.606 -4.635 121 QH2 ARG 11 QH1 ARG 11 -13.600 12.691 -3.766 122 H ALA 12 HN ALA 12 -9.452 8.888 -7.418 123 HA ALA 12 HA ALA 12 -8.852 6.789 -5.640 124 1HB ALA 12 3HB ALA 12 -8.134 9.727 -5.751 125 2HB ALA 12 1HB ALA 12 -7.580 8.714 -4.424 126 3HB ALA 12 2HB ALA 12 -7.121 8.307 -6.092 127 QB ALA 12 QB ALA 12 -7.612 8.916 -5.422 128 H THR 13 HN THR 13 -9.155 6.471 -3.483 129 HA THR 13 HA THR 13 -11.043 8.033 -1.862 130 HB THR 13 HB THR 13 -11.847 5.702 -1.102 131 HG1 THR 13 1HG THR 13 -11.461 4.054 -2.671 132 1HG2 THR 13 3HG2 THR 13 -13.196 7.155 -2.638 133 2HG2 THR 13 1HG2 THR 13 -12.421 6.363 -4.026 134 3HG2 THR 13 2HG2 THR 13 -13.438 5.424 -2.921 135 QG2 THR 13 QG2 THR 13 -13.018 6.314 -3.195 136 H THR 14 HN THR 14 -10.793 7.010 0.488 137 HA THR 14 HA THR 14 -8.048 6.229 1.162 138 HB THR 14 HB THR 14 -8.314 7.846 3.173 139 HG1 THR 14 1HG THR 14 -10.138 9.072 1.374 140 1HG2 THR 14 1HG2 THR 14 -7.923 9.100 0.436 141 2HG2 THR 14 2HG2 THR 14 -7.447 9.806 1.995 142 3HG2 THR 14 3HG2 THR 14 -6.677 8.307 1.447 143 QG2 THR 14 QG2 THR 14 -7.349 9.071 1.293 144 H LYS 15 HN LYS 15 -7.943 5.224 3.338 145 HA LYS 15 HA LYS 15 -10.402 4.915 4.820 146 1HB LYS 15 2HB LYS 15 -8.975 2.539 3.528 147 2HB LYS 15 3HB LYS 15 -9.965 2.408 4.967 148 1HG LYS 15 2HG LYS 15 -11.833 3.611 3.536 149 2HG LYS 15 3HG LYS 15 -10.805 3.192 2.180 150 1HD LYS 15 2HD LYS 15 -12.344 1.420 2.255 151 2HD LYS 15 3HD LYS 15 -10.861 0.775 2.959 152 1HE LYS 15 2HE LYS 15 -12.774 0.022 4.257 153 2HE LYS 15 3HE LYS 15 -11.805 1.106 5.256 154 1HZ LYS 15 3HZ LYS 15 -14.297 1.817 3.841 155 2HZ LYS 15 1HZ LYS 15 -14.134 1.564 5.454 156 3HZ LYS 15 2HZ LYS 15 -13.404 2.855 4.754 157 QB LYS 15 QB LYS 15 -9.470 2.473 4.248 158 QG LYS 15 QG LYS 15 -11.319 3.401 2.858 159 QD LYS 15 QD LYS 15 -11.603 1.098 2.607 160 QE LYS 15 QE LYS 15 -12.290 0.564 4.757 161 QZ LYS 15 QZ LYS 15 -13.945 2.079 4.683 162 H SER 16 HN SER 16 -9.855 3.821 6.953 163 HA SER 16 HA SER 16 -7.240 4.772 7.855 164 1HB SER 16 2HB SER 16 -9.252 5.070 9.279 165 2HB SER 16 3HB SER 16 -9.275 3.311 9.534 166 HG SER 16 HG SER 16 -6.942 4.886 10.001 167 QB SER 16 QB SER 16 -9.264 4.190 9.406 168 H CYS 17 HN CYS 17 -6.135 3.184 9.412 169 HA CYS 17 HA CYS 17 -5.638 0.497 8.254 170 1HB CYS 17 2HB CYS 17 -4.369 1.898 6.815 171 2HB CYS 17 3HB CYS 17 -3.894 2.958 8.134 172 QB CYS 17 QB CYS 17 -4.131 2.428 7.474 173 H GLU 20 HN GLU 20 -5.097 -0.836 10.071 174 HA GLU 20 HA GLU 20 -5.034 0.524 12.628 175 1HB GLU 20 2HB GLU 20 -4.930 -1.698 13.621 176 2HB GLU 20 3HB GLU 20 -6.269 -1.424 12.513 177 1HG GLU 20 2HG GLU 20 -4.887 -2.704 10.732 178 2HG GLU 20 3HG GLU 20 -3.853 -3.185 12.084 179 QB GLU 20 QB GLU 20 -5.600 -1.561 13.067 180 QG GLU 20 QG GLU 20 -4.370 -2.945 11.408 181 H GLU 21 HN GLU 21 -2.542 -1.314 10.745 182 HA GLU 21 HA GLU 21 -0.358 -0.781 12.365 183 1HB GLU 21 2HB GLU 21 -0.515 -0.775 9.315 184 2HB GLU 21 3HB GLU 21 0.982 -0.832 10.242 185 1HG GLU 21 2HG GLU 21 0.797 -3.035 9.895 186 2HG GLU 21 3HG GLU 21 -0.127 -2.944 11.386 187 QB GLU 21 QB GLU 21 0.234 -0.803 9.779 188 QG GLU 21 QG GLU 21 0.335 -2.989 10.640 189 H ASN 22 HN ASN 22 1.481 0.603 11.811 190 HA ASN 22 HA ASN 22 0.817 3.452 11.781 191 1HB ASN 22 2HB ASN 22 2.624 2.391 13.173 192 2HB ASN 22 3HB ASN 22 3.526 2.077 11.683 193 1HD2 ASN 22 2HD2 ASN 22 3.900 5.647 13.476 194 2HD2 ASN 22 1HD2 ASN 22 3.146 4.260 14.224 195 QB ASN 22 QB ASN 22 3.075 2.234 12.428 196 QD2 ASN 22 QD2 ASN 22 3.523 4.954 13.850 197 H SER 23 HN SER 23 1.986 0.964 9.464 198 HA SER 23 HA SER 23 2.880 3.001 7.567 199 1HB SER 23 2HB SER 23 3.750 0.706 6.530 200 2HB SER 23 3HB SER 23 4.550 1.427 7.927 201 HG SER 23 HG SER 23 4.093 -0.797 8.257 202 QB SER 23 QB SER 23 4.150 1.066 7.228 203 H CYS 24 HN CYS 24 2.687 2.508 5.309 204 HA CYS 24 HA CYS 24 0.068 1.362 4.490 205 1HB CYS 24 2HB CYS 24 1.209 4.029 3.549 206 2HB CYS 24 3HB CYS 24 -0.280 3.253 2.997 207 QB CYS 24 QB CYS 24 0.464 3.641 3.273 208 OH TYR 25 OH TYR 25 -1.227 -5.380 0.248 209 H TYR 25 HN TYR 25 0.182 0.638 2.194 210 HA TYR 25 HA TYR 25 2.783 0.962 0.901 211 1HB TYR 25 2HB TYR 25 3.313 -1.284 0.593 212 2HB TYR 25 3HB TYR 25 2.745 -1.262 2.256 213 HD1 TYR 25 HD2 TYR 25 0.204 -1.763 2.590 214 HD2 TYR 25 HD1 TYR 25 2.569 -3.091 -0.739 215 HE1 TYR 25 HE2 TYR 25 -1.420 -3.575 2.171 216 HE2 TYR 25 HE1 TYR 25 1.047 -5.034 -1.004 217 HH TYR 25 HH TYR 25 -2.008 -5.337 0.804 218 QB TYR 25 QB TYR 25 3.029 -1.273 1.425 219 QR TYR 25 QR TYR 25 0.600 -3.366 0.754 220 H LYS 26 HN LYS 26 2.913 0.285 -1.238 221 HA LYS 26 HA LYS 26 0.390 0.419 -2.824 222 1HB LYS 26 2HB LYS 26 1.791 2.476 -2.954 223 2HB LYS 26 3HB LYS 26 3.192 1.486 -3.391 224 1HG LYS 26 2HG LYS 26 1.979 0.765 -5.479 225 2HG LYS 26 3HG LYS 26 0.640 1.822 -5.028 226 1HD LYS 26 2HD LYS 26 2.212 3.771 -5.031 227 2HD LYS 26 3HD LYS 26 3.552 2.679 -5.429 228 1HE LYS 26 2HE LYS 26 2.473 2.085 -7.581 229 2HE LYS 26 3HE LYS 26 1.101 3.135 -7.201 230 1HZ LYS 26 3HZ LYS 26 3.892 4.064 -7.487 231 2HZ LYS 26 1HZ LYS 26 2.734 4.188 -8.645 232 3HZ LYS 26 2HZ LYS 26 2.575 5.018 -7.233 233 QB LYS 26 QB LYS 26 2.492 1.981 -3.173 234 QG LYS 26 QG LYS 26 1.310 1.293 -5.253 235 QD LYS 26 QD LYS 26 2.882 3.225 -5.230 236 QE LYS 26 QE LYS 26 1.787 2.610 -7.391 237 QZ LYS 26 QZ LYS 26 3.067 4.423 -7.788 238 H LYS 27 HN LYS 27 0.288 -1.199 -4.436 239 HA LYS 27 HA LYS 27 2.498 -3.182 -4.603 240 1HB LYS 27 2HB LYS 27 0.491 -3.472 -2.869 241 2HB LYS 27 3HB LYS 27 -0.426 -3.958 -4.259 242 1HG LYS 27 2HG LYS 27 2.123 -5.148 -3.114 243 2HG LYS 27 3HG LYS 27 0.507 -5.869 -3.071 244 1HD LYS 27 2HD LYS 27 2.218 -5.412 -5.542 245 2HD LYS 27 3HD LYS 27 2.052 -6.947 -4.708 246 1HE LYS 27 2HE LYS 27 -0.247 -5.425 -6.032 247 2HE LYS 27 3HE LYS 27 0.601 -6.778 -6.772 248 1HZ LYS 27 3HZ LYS 27 -0.904 -6.905 -4.239 249 2HZ LYS 27 1HZ LYS 27 -1.545 -7.286 -5.620 250 3HZ LYS 27 2HZ LYS 27 -0.290 -8.226 -5.079 251 QB LYS 27 QB LYS 27 0.032 -3.715 -3.564 252 QG LYS 27 QG LYS 27 1.315 -5.509 -3.092 253 QD LYS 27 QD LYS 27 2.135 -6.180 -5.125 254 QE LYS 27 QE LYS 27 0.177 -6.102 -6.402 255 QZ LYS 27 QZ LYS 27 -0.913 -7.472 -4.979 256 OH TYR 28 OH TYR 28 7.764 -0.513 -7.034 257 H TYR 28 HN TYR 28 2.950 -3.320 -6.890 258 HA TYR 28 HA TYR 28 0.714 -2.584 -8.720 259 1HB TYR 28 2HB TYR 28 2.279 -1.006 -9.738 260 2HB TYR 28 3HB TYR 28 1.702 -0.554 -8.152 261 HD1 TYR 28 HD2 TYR 28 3.345 -0.914 -6.129 262 HD2 TYR 28 HD1 TYR 28 4.606 -1.077 -10.250 263 HE1 TYR 28 HE2 TYR 28 5.651 -0.402 -5.444 264 HE2 TYR 28 HE1 TYR 28 6.946 -0.690 -9.536 265 HH TYR 28 HH TYR 28 7.882 -0.593 -6.082 266 QB TYR 28 QB TYR 28 1.991 -0.780 -8.945 267 QR TYR 28 QR TYR 28 5.137 -0.771 -7.840 268 CH2 TRP 29 CH2 TRP 29 -2.870 -7.260 -9.147 269 H TRP 29 HN TRP 29 0.699 -3.493 -10.708 270 HA TRP 29 HA TRP 29 3.187 -4.422 -11.852 271 1HB TRP 29 2HB TRP 29 2.623 -6.621 -12.150 272 2HB TRP 29 3HB TRP 29 2.357 -6.357 -10.445 273 HD1 TRP 29 HD1 TRP 29 0.744 -7.669 -13.531 274 HE1 TRP 29 HE1 TRP 29 -1.663 -8.395 -13.136 275 HE3 TRP 29 HE3 TRP 29 0.088 -5.572 -8.915 276 HZ2 TRP 29 HZ2 TRP 29 -3.509 -8.408 -10.863 277 HZ3 TRP 29 HZ3 TRP 29 -2.021 -5.946 -7.668 278 HH2 TRP 29 HH2 TRP 29 -3.758 -7.463 -8.566 279 QB TRP 29 QB TRP 29 2.490 -6.489 -11.298 280 NH1 ARG 30 NH2 ARG 30 6.577 -7.243 -14.251 281 NH2 ARG 30 NH1 ARG 30 7.816 -7.090 -16.205 282 H ARG 30 HN ARG 30 2.834 -5.334 -13.989 283 HA ARG 30 HA ARG 30 0.712 -4.091 -15.606 284 1HB ARG 30 2HB ARG 30 2.852 -4.962 -17.221 285 2HB ARG 30 3HB ARG 30 2.403 -3.303 -16.803 286 1HG ARG 30 2HG ARG 30 4.754 -3.579 -16.500 287 2HG ARG 30 3HG ARG 30 3.979 -3.275 -14.961 288 1HD ARG 30 2HD ARG 30 5.069 -5.030 -14.131 289 2HD ARG 30 3HD ARG 30 4.094 -6.126 -15.151 290 HE ARG 30 HE ARG 30 6.102 -5.326 -16.818 291 1HH1 ARG 30 2HH2 ARG 30 5.792 -6.962 -13.683 292 2HH1 ARG 30 1HH2 ARG 30 7.182 -7.940 -13.840 293 1HH2 ARG 30 2HH1 ARG 30 7.977 -6.685 -17.117 294 2HH2 ARG 30 1HH1 ARG 30 8.444 -7.813 -15.885 295 QB ARG 30 QB ARG 30 2.627 -4.133 -17.012 296 QG ARG 30 QG ARG 30 4.366 -3.427 -15.731 297 QD ARG 30 QD ARG 30 4.581 -5.578 -14.641 298 QH1 ARG 30 QH2 ARG 30 6.487 -7.451 -13.762 299 QH2 ARG 30 QH1 ARG 30 8.211 -7.249 -16.501 300 H ASP 31 HN ASP 31 -0.637 -5.589 -16.585 301 HA ASP 31 HA ASP 31 0.597 -8.022 -17.557 302 1HB ASP 31 2HB ASP 31 -0.927 -9.633 -16.807 303 2HB ASP 31 3HB ASP 31 -0.388 -8.781 -15.375 304 QB ASP 31 QB ASP 31 -0.657 -9.207 -16.091 305 H HIS 32 HN HIS 32 -1.612 -9.137 -18.767 306 HA HIS 32 HA HIS 32 -1.553 -7.381 -21.033 307 1HB HIS 32 2HB HIS 32 -1.902 -10.099 -20.669 308 2HB HIS 32 3HB HIS 32 -3.498 -9.598 -21.197 309 HD1 HIS 32 HD1 HIS 32 -0.064 -10.247 -22.576 310 HD2 HIS 32 HD2 HIS 32 -3.541 -8.085 -23.610 311 HE1 HIS 32 HE1 HIS 32 0.160 -9.647 -25.066 312 HE2 HIS 32 HE2 HIS 32 -1.969 -8.343 -25.686 313 QB HIS 32 QB HIS 32 -2.700 -9.849 -20.933 314 NH1 ARG 33 NH2 ARG 33 -5.400 -8.345 -14.870 315 NH2 ARG 33 NH1 ARG 33 -4.656 -10.421 -15.452 316 H ARG 33 HN ARG 33 -3.794 -7.651 -18.420 317 HA ARG 33 HA ARG 33 -6.012 -6.289 -19.831 318 1HB ARG 33 2HB ARG 33 -5.400 -6.828 -16.924 319 2HB ARG 33 3HB ARG 33 -6.791 -5.873 -17.450 320 1HG ARG 33 2HG ARG 33 -7.770 -7.634 -18.677 321 2HG ARG 33 3HG ARG 33 -6.350 -8.676 -18.545 322 1HD ARG 33 2HD ARG 33 -7.831 -7.849 -16.014 323 2HD ARG 33 3HD ARG 33 -8.516 -9.066 -17.073 324 HE ARG 33 HE ARG 33 -6.875 -10.589 -16.633 325 1HH1 ARG 33 2HH2 ARG 33 -6.096 -7.620 -14.849 326 2HH1 ARG 33 1HH2 ARG 33 -4.425 -8.151 -14.610 327 1HH2 ARG 33 2HH1 ARG 33 -4.697 -11.270 -15.989 328 2HH2 ARG 33 1HH1 ARG 33 -3.771 -10.111 -15.032 329 QB ARG 33 QB ARG 33 -6.096 -6.350 -17.187 330 QG ARG 33 QG ARG 33 -7.060 -8.155 -18.611 331 QD ARG 33 QD ARG 33 -8.173 -8.457 -16.543 332 QH1 ARG 33 QH2 ARG 33 -5.261 -7.886 -14.729 333 QH2 ARG 33 QH1 ARG 33 -4.234 -10.691 -15.511 334 H GLY 34 HN GLY 34 -3.005 -5.303 -18.132 335 1HA GLY 34 1HA GLY 34 -2.548 -2.906 -19.043 336 2HA GLY 34 2HA GLY 34 -3.960 -2.482 -18.061 337 QA GLY 34 QA GLY 34 -3.254 -2.694 -18.552 338 H THR 35 HN THR 35 -2.512 -1.097 -16.912 339 HA THR 35 HA THR 35 -0.515 -2.317 -15.107 340 HB THR 35 HB THR 35 -1.356 0.569 -15.269 341 HG1 THR 35 1HG THR 35 -0.483 -0.149 -17.254 342 1HG2 THR 35 3HG2 THR 35 -0.132 -0.089 -13.189 343 2HG2 THR 35 1HG2 THR 35 1.153 -0.804 -14.187 344 3HG2 THR 35 2HG2 THR 35 0.861 0.943 -14.235 345 QG2 THR 35 QG2 THR 35 0.627 0.017 -13.870 346 H ILE 36 HN ILE 36 -1.398 -3.354 -13.362 347 HA ILE 36 HA ILE 36 -3.880 -2.269 -12.148 348 HB ILE 36 HB ILE 36 -2.533 -4.925 -11.698 349 1HG1 ILE 36 2HG1 ILE 36 -5.088 -3.944 -13.074 350 2HG1 ILE 36 3HG1 ILE 36 -3.706 -4.727 -13.855 351 1HG2 ILE 36 2HG2 ILE 36 -3.601 -3.950 -9.607 352 2HG2 ILE 36 3HG2 ILE 36 -5.106 -3.740 -10.522 353 3HG2 ILE 36 1HG2 ILE 36 -4.458 -5.353 -10.192 354 1HD1 ILE 36 2HD1 ILE 36 -5.572 -6.100 -11.862 355 2HD1 ILE 36 3HD1 ILE 36 -5.669 -6.151 -13.609 356 3HD1 ILE 36 1HD1 ILE 36 -4.239 -6.840 -12.789 357 QG1 ILE 36 QG1 ILE 36 -4.397 -4.336 -13.464 358 QG2 ILE 36 QG2 ILE 36 -4.388 -4.348 -10.107 359 QD1 ILE 36 QD1 ILE 36 -5.160 -6.364 -12.753 360 H ILE 37 HN ILE 37 -3.521 -0.687 -10.849 361 HA ILE 37 HA ILE 37 -1.311 -0.581 -8.923 362 HB ILE 37 HB ILE 37 -3.848 1.078 -9.473 363 1HG1 ILE 37 2HG1 ILE 37 -2.244 1.337 -11.318 364 2HG1 ILE 37 3HG1 ILE 37 -2.416 2.803 -10.369 365 1HG2 ILE 37 2HG2 ILE 37 -1.546 1.549 -7.544 366 2HG2 ILE 37 3HG2 ILE 37 -2.763 2.762 -8.033 367 3HG2 ILE 37 1HG2 ILE 37 -3.262 1.289 -7.167 368 1HD1 ILE 37 2HD1 ILE 37 -0.250 2.326 -9.228 369 2HD1 ILE 37 3HD1 ILE 37 -0.075 0.854 -10.216 370 3HD1 ILE 37 1HD1 ILE 37 -0.092 2.449 -10.983 371 QG1 ILE 37 QG1 ILE 37 -2.330 2.070 -10.843 372 QG2 ILE 37 QG2 ILE 37 -2.524 1.867 -7.582 373 QD1 ILE 37 QD1 ILE 37 -0.139 1.876 -10.142 374 H GLU 38 HN GLU 38 -1.577 -1.601 -6.946 375 HA GLU 38 HA GLU 38 -4.284 -1.965 -5.816 376 1HB GLU 38 2HB GLU 38 -3.414 -4.159 -6.775 377 2HB GLU 38 3HB GLU 38 -1.999 -3.953 -5.757 378 1HG GLU 38 2HG GLU 38 -3.737 -4.035 -3.760 379 2HG GLU 38 3HG GLU 38 -4.802 -4.750 -4.981 380 QB GLU 38 QB GLU 38 -2.706 -4.056 -6.266 381 QG GLU 38 QG GLU 38 -4.270 -4.392 -4.370 382 NH1 ARG 39 NH2 ARG 39 -2.743 3.037 -5.208 383 NH2 ARG 39 NH1 ARG 39 -0.729 4.033 -4.814 384 H ARG 39 HN ARG 39 -3.920 -2.161 -3.315 385 HA ARG 39 HA ARG 39 -1.635 -0.657 -2.318 386 1HB ARG 39 2HB ARG 39 -2.905 0.964 -3.713 387 2HB ARG 39 3HB ARG 39 -4.398 0.583 -2.831 388 1HG ARG 39 2HG ARG 39 -3.495 1.533 -0.822 389 2HG ARG 39 3HG ARG 39 -1.878 1.650 -1.553 390 1HD ARG 39 2HD ARG 39 -4.202 3.115 -2.851 391 2HD ARG 39 3HD ARG 39 -3.347 3.737 -1.431 392 HE ARG 39 HE ARG 39 -1.437 4.086 -2.479 393 1HH1 ARG 39 2HH2 ARG 39 -3.622 2.617 -4.907 394 2HH1 ARG 39 1HH2 ARG 39 -2.500 3.018 -6.180 395 1HH2 ARG 39 2HH1 ARG 39 -0.062 4.289 -4.082 396 2HH2 ARG 39 1HH1 ARG 39 -0.852 4.897 -5.355 397 QB ARG 39 QB ARG 39 -3.652 0.773 -3.272 398 QG ARG 39 QG ARG 39 -2.686 1.592 -1.188 399 QD ARG 39 QD ARG 39 -3.775 3.426 -2.141 400 QH1 ARG 39 QH2 ARG 39 -3.061 2.817 -5.544 401 QH2 ARG 39 QH1 ARG 39 -0.457 4.593 -4.718 402 H GLY 40 HN GLY 40 -1.828 -0.322 0.027 403 1HA GLY 40 1HA GLY 40 -4.261 -0.776 1.382 404 2HA GLY 40 2HA GLY 40 -3.361 -2.304 1.380 405 QA GLY 40 QA GLY 40 -3.811 -1.540 1.381 406 H CYS 41 HN CYS 41 -3.310 -2.090 3.637 407 HA CYS 41 HA CYS 41 -1.793 0.129 4.870 408 1HB CYS 41 2HB CYS 41 -3.796 0.032 5.748 409 2HB CYS 41 3HB CYS 41 -3.994 -1.748 5.705 410 QB CYS 41 QB CYS 41 -3.895 -0.858 5.727 411 H GLY 42 HN GLY 42 -0.598 -0.371 6.701 412 1HA GLY 42 1HA GLY 42 1.139 -1.473 7.866 413 2HA GLY 42 2HA GLY 42 0.537 -2.985 7.192 414 QA GLY 42 QA GLY 42 0.838 -2.229 7.529 415 H CYS 43 HN CYS 43 2.590 -3.786 6.769 416 HA CYS 43 HA CYS 43 3.791 -2.868 4.225 417 1HB CYS 43 2HB CYS 43 5.083 -1.666 5.966 418 2HB CYS 43 3HB CYS 43 5.442 -3.216 6.740 419 QB CYS 43 QB CYS 43 5.262 -2.441 6.353 420 HA PRO 44 HA PRO 44 3.623 -7.491 4.740 421 1HB PRO 44 2HB PRO 44 1.985 -8.163 2.683 422 2HB PRO 44 3HB PRO 44 1.333 -7.510 4.215 423 1HG PRO 44 2HG PRO 44 1.954 -5.963 1.679 424 2HG PRO 44 3HG PRO 44 0.413 -5.987 2.592 425 1HD PRO 44 2HD PRO 44 2.292 -4.040 2.968 426 2HD PRO 44 3HD PRO 44 1.336 -4.678 4.338 427 QB PRO 44 QB PRO 44 1.659 -7.837 3.449 428 QG PRO 44 QG PRO 44 1.183 -5.975 2.135 429 QD PRO 44 QD PRO 44 1.814 -4.359 3.653 430 H LYS 45 HN LYS 45 4.345 -9.129 3.091 431 HA LYS 45 HA LYS 45 6.084 -7.988 0.948 432 1HB LYS 45 2HB LYS 45 7.362 -9.065 2.615 433 2HB LYS 45 3HB LYS 45 6.371 -10.541 2.566 434 1HG LYS 45 2HG LYS 45 7.195 -10.994 0.278 435 2HG LYS 45 3HG LYS 45 8.143 -9.494 0.301 436 1HD LYS 45 2HD LYS 45 8.480 -11.856 2.211 437 2HD LYS 45 3HD LYS 45 9.424 -11.598 0.734 438 1HE LYS 45 2HE LYS 45 10.225 -9.392 1.672 439 2HE LYS 45 3HE LYS 45 9.397 -9.769 3.193 440 1HZ LYS 45 3HZ LYS 45 11.567 -11.361 2.007 441 2HZ LYS 45 1HZ LYS 45 11.699 -10.337 3.283 442 3HZ LYS 45 2HZ LYS 45 10.790 -11.697 3.420 443 QB LYS 45 QB LYS 45 6.866 -9.803 2.590 444 QG LYS 45 QG LYS 45 7.669 -10.244 0.289 445 QD LYS 45 QD LYS 45 8.952 -11.727 1.473 446 QE LYS 45 QE LYS 45 9.811 -9.580 2.432 447 QZ LYS 45 QZ LYS 45 11.352 -11.132 2.904 448 H VAL 46 HN VAL 46 6.194 -9.325 -0.922 449 HA VAL 46 HA VAL 46 3.650 -10.711 -1.631 450 HB VAL 46 HB VAL 46 3.331 -9.276 -3.554 451 1HG1 VAL 46 1HG1 VAL 46 2.303 -8.638 -1.378 452 2HG1 VAL 46 2HG1 VAL 46 3.673 -7.544 -1.070 453 3HG1 VAL 46 3HG1 VAL 46 2.606 -7.264 -2.444 454 1HG2 VAL 46 2HG2 VAL 46 5.686 -8.651 -4.044 455 2HG2 VAL 46 3HG2 VAL 46 4.626 -7.248 -3.932 456 3HG2 VAL 46 1HG2 VAL 46 5.716 -7.642 -2.583 457 QG1 VAL 46 QG1 VAL 46 2.861 -7.815 -1.631 458 QG2 VAL 46 QG2 VAL 46 5.343 -7.847 -3.520 459 QQG VAL 46 QQG VAL 46 4.102 -7.831 -2.575 460 H LYS 47 HN LYS 47 3.974 -11.071 -4.269 461 HA LYS 47 HA LYS 47 6.115 -13.090 -4.305 462 1HB LYS 47 2HB LYS 47 3.990 -12.531 -6.387 463 2HB LYS 47 3HB LYS 47 4.886 -14.021 -6.181 464 1HG LYS 47 2HG LYS 47 2.728 -12.975 -4.314 465 2HG LYS 47 3HG LYS 47 2.655 -14.356 -5.407 466 1HD LYS 47 2HD LYS 47 4.456 -15.491 -4.145 467 2HD LYS 47 3HD LYS 47 4.540 -14.123 -3.012 468 1HE LYS 47 2HE LYS 47 2.226 -14.490 -2.296 469 2HE LYS 47 3HE LYS 47 2.025 -15.793 -3.481 470 1HZ LYS 47 1HZ LYS 47 3.710 -17.039 -2.306 471 2HZ LYS 47 2HZ LYS 47 3.888 -15.836 -1.196 472 3HZ LYS 47 3HZ LYS 47 2.467 -16.652 -1.305 473 QB LYS 47 QB LYS 47 4.438 -13.276 -6.284 474 QG LYS 47 QG LYS 47 2.691 -13.666 -4.860 475 QD LYS 47 QD LYS 47 4.498 -14.807 -3.579 476 QE LYS 47 QE LYS 47 2.126 -15.141 -2.888 477 QZ LYS 47 QZ LYS 47 3.355 -16.509 -1.602 478 HA PRO 48 HA PRO 48 8.714 -10.602 -6.758 479 1HB PRO 48 2HB PRO 48 10.159 -12.321 -8.298 480 2HB PRO 48 3HB PRO 48 10.213 -12.363 -6.513 481 1HG PRO 48 2HG PRO 48 8.545 -14.095 -8.349 482 2HG PRO 48 3HG PRO 48 9.583 -14.627 -6.995 483 1HD PRO 48 2HD PRO 48 6.894 -14.254 -6.785 484 2HD PRO 48 3HD PRO 48 7.956 -13.924 -5.395 485 QB PRO 48 QB PRO 48 10.186 -12.342 -7.406 486 QG PRO 48 QG PRO 48 9.064 -14.361 -7.672 487 QD PRO 48 QD PRO 48 7.425 -14.089 -6.090 488 H GLY 49 HN GLY 49 9.391 -9.952 -9.055 489 1HA GLY 49 1HA GLY 49 8.883 -9.281 -11.161 490 2HA GLY 49 2HA GLY 49 7.742 -10.620 -11.255 491 QA GLY 49 QA GLY 49 8.313 -9.950 -11.208 492 H VAL 50 HN VAL 50 6.860 -8.932 -8.552 493 HA VAL 50 HA VAL 50 4.916 -7.104 -9.871 494 HB VAL 50 HB VAL 50 4.713 -9.033 -7.505 495 1HG1 VAL 50 3HG1 VAL 50 2.737 -6.858 -8.273 496 2HG1 VAL 50 1HG1 VAL 50 2.445 -8.194 -7.135 497 3HG1 VAL 50 2HG1 VAL 50 3.674 -6.979 -6.768 498 1HG2 VAL 50 1HG2 VAL 50 3.112 -8.768 -10.087 499 2HG2 VAL 50 2HG2 VAL 50 4.289 -10.042 -9.710 500 3HG2 VAL 50 3HG2 VAL 50 2.788 -9.930 -8.783 501 QG1 VAL 50 QG1 VAL 50 2.952 -7.344 -7.392 502 QG2 VAL 50 QG2 VAL 50 3.396 -9.580 -9.527 503 QQG VAL 50 QQG VAL 50 3.174 -8.462 -8.459 504 H GLY 51 HN GLY 51 5.130 -4.966 -9.079 505 1HA GLY 51 1HA GLY 51 7.383 -4.514 -7.398 506 2HA GLY 51 2HA GLY 51 6.416 -3.260 -8.116 507 QA GLY 51 QA GLY 51 6.899 -3.887 -7.757 508 H ILE 52 HN ILE 52 7.244 -3.080 -5.614 509 HA ILE 52 HA ILE 52 4.789 -2.845 -4.074 510 HB ILE 52 HB ILE 52 5.391 -5.155 -3.697 511 1HG1 ILE 52 2HG1 ILE 52 4.485 -3.568 -1.843 512 2HG1 ILE 52 3HG1 ILE 52 4.875 -5.253 -1.523 513 1HG2 ILE 52 1HG2 ILE 52 7.786 -5.153 -4.083 514 2HG2 ILE 52 2HG2 ILE 52 8.069 -4.211 -2.609 515 3HG2 ILE 52 3HG2 ILE 52 7.425 -5.861 -2.508 516 1HD1 ILE 52 2HD1 ILE 52 6.763 -2.966 -0.834 517 2HD1 ILE 52 3HD1 ILE 52 5.623 -3.742 0.277 518 3HD1 ILE 52 1HD1 ILE 52 6.945 -4.683 -0.422 519 QG1 ILE 52 QG1 ILE 52 4.680 -4.410 -1.683 520 QG2 ILE 52 QG2 ILE 52 7.760 -5.075 -3.066 521 QD1 ILE 52 QD1 ILE 52 6.443 -3.797 -0.327 522 H HIS 53 HN HIS 53 4.984 -1.277 -2.418 523 HA HIS 53 HA HIS 53 7.607 -0.695 -1.383 524 1HB HIS 53 2HB HIS 53 7.499 0.838 -3.430 525 2HB HIS 53 3HB HIS 53 6.164 1.675 -2.643 526 HD1 HIS 53 HD1 HIS 53 9.921 0.935 -2.113 527 HD2 HIS 53 HD2 HIS 53 6.730 3.077 -0.381 528 HE1 HIS 53 HE1 HIS 53 10.889 2.206 -0.101 529 HE2 HIS 53 HE2 HIS 53 8.916 3.458 0.959 530 QB HIS 53 QB HIS 53 6.831 1.257 -3.036 531 H CYS 54 HN CYS 54 7.357 -0.187 0.790 532 HA CYS 54 HA CYS 54 4.745 0.861 1.691 533 1HB CYS 54 2HB CYS 54 4.723 -0.549 3.516 534 2HB CYS 54 3HB CYS 54 5.336 -1.613 2.260 535 QB CYS 54 QB CYS 54 5.030 -1.081 2.888 536 H CYS 55 HN CYS 55 4.897 1.969 3.800 537 HA CYS 55 HA CYS 55 7.414 3.103 4.664 538 1HB CYS 55 2HB CYS 55 6.669 5.462 3.994 539 2HB CYS 55 3HB CYS 55 7.382 4.442 2.755 540 QB CYS 55 QB CYS 55 7.025 4.952 3.374 541 H GLN 56 HN GLN 56 7.020 4.789 6.318 542 HA GLN 56 HA GLN 56 4.778 3.816 8.017 543 1HB GLN 56 2HB GLN 56 7.396 5.016 8.923 544 2HB GLN 56 3HB GLN 56 6.180 4.156 9.876 545 1HG GLN 56 2HG GLN 56 6.625 2.105 8.457 546 2HG GLN 56 3HG GLN 56 8.019 2.955 7.770 547 1HE2 GLN 56 2HE2 GLN 56 9.728 3.000 11.033 548 2HE2 GLN 56 1HE2 GLN 56 9.379 4.110 9.716 549 QB GLN 56 QB GLN 56 6.788 4.586 9.400 550 QG GLN 56 QG GLN 56 7.322 2.530 8.113 551 QE2 GLN 56 QE2 GLN 56 9.554 3.555 10.374 552 H SER 57 HN SER 57 4.265 6.086 6.214 553 HA SER 57 HA SER 57 3.771 8.200 8.267 554 1HB SER 57 2HB SER 57 3.832 9.502 5.794 555 2HB SER 57 3HB SER 57 5.032 9.604 7.082 556 HG SER 57 HG SER 57 6.135 7.861 6.120 557 QB SER 57 QB SER 57 4.432 9.553 6.438 558 H ASP 58 HN ASP 58 1.851 9.473 7.894 559 HA ASP 58 HA ASP 58 -0.373 7.827 7.231 560 1HB ASP 58 2HB ASP 58 -0.356 9.959 8.757 561 2HB ASP 58 3HB ASP 58 -0.538 10.842 7.191 562 QB ASP 58 QB ASP 58 -0.447 10.400 7.974 563 H LYS 59 HN LYS 59 -1.522 7.655 5.423 564 HA LYS 59 HA LYS 59 -1.938 7.576 3.131 565 1HB LYS 59 2HB LYS 59 -1.307 10.517 3.514 566 2HB LYS 59 3HB LYS 59 -2.154 9.834 2.135 567 1HG LYS 59 2HG LYS 59 -4.078 9.293 3.343 568 2HG LYS 59 3HG LYS 59 -3.234 9.299 4.897 569 1HD LYS 59 2HD LYS 59 -4.600 11.269 4.784 570 2HD LYS 59 3HD LYS 59 -2.888 11.690 4.808 571 1HE LYS 59 2HE LYS 59 -2.961 11.954 2.277 572 2HE LYS 59 3HE LYS 59 -4.706 11.643 2.335 573 1HZ LYS 59 3HZ LYS 59 -3.297 13.851 3.689 574 2HZ LYS 59 1HZ LYS 59 -4.118 13.984 2.272 575 3HZ LYS 59 2HZ LYS 59 -4.929 13.628 3.661 576 QB LYS 59 QB LYS 59 -1.731 10.176 2.825 577 QG LYS 59 QG LYS 59 -3.656 9.296 4.120 578 QD LYS 59 QD LYS 59 -3.744 11.479 4.796 579 QE LYS 59 QE LYS 59 -3.834 11.799 2.306 580 QZ LYS 59 QZ LYS 59 -4.115 13.821 3.207 581 H CYS 60 HN CYS 60 1.101 7.376 3.953 582 HA CYS 60 HA CYS 60 2.553 8.765 1.986 583 1HB CYS 60 2HB CYS 60 4.458 7.655 2.864 584 2HB CYS 60 3HB CYS 60 3.319 7.849 4.188 585 QB CYS 60 QB CYS 60 3.889 7.752 3.526 586 H ASN 61 HN ASN 61 0.460 6.394 1.134 587 HA ASN 61 HA ASN 61 2.263 4.970 -0.692 588 1HB ASN 61 2HB ASN 61 0.773 3.139 -0.532 589 2HB ASN 61 3HB ASN 61 1.178 3.666 1.097 590 1HD2 ASN 61 2HD2 ASN 61 -2.540 2.933 0.765 591 2HD2 ASN 61 1HD2 ASN 61 -1.069 2.009 0.480 592 QB ASN 61 QB ASN 61 0.975 3.403 0.283 593 QD2 ASN 61 QD2 ASN 61 -1.805 2.471 0.622 594 OH TYR 62 OH TYR 62 -4.513 12.576 -4.656 595 H TYR 62 HN TYR 62 0.669 7.619 -1.234 596 HA TYR 62 HA TYR 62 -1.632 7.394 -2.573 597 1HB TYR 62 2HB TYR 62 0.055 9.405 -2.104 598 2HB TYR 62 3HB TYR 62 0.421 9.156 -3.803 599 HD1 TYR 62 HD1 TYR 62 -2.032 8.842 -5.255 600 HD2 TYR 62 HD2 TYR 62 -1.004 11.458 -1.995 601 HE1 TYR 62 HE1 TYR 62 -3.898 10.322 -5.863 602 HE2 TYR 62 HE2 TYR 62 -2.766 13.020 -2.705 603 HH TYR 62 HH TYR 62 -4.465 13.433 -4.229 604 QB TYR 62 QB TYR 62 0.238 9.280 -2.954 605 QR TYR 62 QR TYR 62 -2.425 10.910 -3.955 No H/Q in entry = 605
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