NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | position | program | type |
4089 | 1epj | 1729 | cing | recoord | dress | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name Start of MODEL 1 Raw file had 388 H/Q atoms Start of MODEL 1 1 1H ASN 1 3H ASN 1 -2.658 -0.978 0.303 2 2H ASN 1 1H ASN 1 -2.478 -0.566 -1.336 3 3H ASN 1 2H ASN 1 -2.334 -2.185 -0.849 4 HA ASN 1 HA ASN 1 -0.161 -1.832 -0.824 5 1HB ASN 1 1HB ASN 1 0.712 0.609 -0.609 6 2HB ASN 1 2HB ASN 1 -0.216 0.239 -2.062 7 1HD2 ASN 1 2HD2 ASN 1 -1.873 3.264 -0.954 8 2HD2 ASN 1 1HD2 ASN 1 -0.532 2.748 -1.858 9 H SER 2 H SER 2 1.339 -1.926 0.804 10 HA SER 2 HA SER 2 0.551 -2.266 3.431 11 1HB SER 2 1HB SER 2 3.124 -1.700 2.049 12 2HB SER 2 2HB SER 2 3.115 -1.256 3.767 13 HG SER 2 HG SER 2 2.156 -3.715 2.711 14 OH TYR 3 OH TYR 3 -0.561 7.287 3.715 15 H TYR 3 H TYR 3 -0.182 -1.011 4.983 16 HA TYR 3 HA TYR 3 0.723 1.758 5.253 17 1HB TYR 3 1HB TYR 3 -1.565 1.239 3.723 18 2HB TYR 3 2HB TYR 3 -2.238 1.606 5.308 19 HD1 TYR 3 HD1 TYR 3 0.240 2.921 2.826 20 HD2 TYR 3 HD2 TYR 3 -2.488 3.853 5.954 21 HE1 TYR 3 HE1 TYR 3 0.587 5.314 2.420 22 HE2 TYR 3 HE2 TYR 3 -2.147 6.244 5.541 23 HH TYR 3 HH TYR 3 0.134 7.376 3.059 24 HA PRO 4 HA PRO 4 0.176 0.543 9.507 25 1HB PRO 4 1HB PRO 4 -0.635 3.184 10.395 26 2HB PRO 4 2HB PRO 4 0.944 2.424 10.594 27 1HG PRO 4 1HG PRO 4 0.193 4.554 8.761 28 2HG PRO 4 2HG PRO 4 1.796 3.875 9.042 29 1HD PRO 4 2HD PRO 4 0.168 3.508 6.727 30 2HD PRO 4 1HD PRO 4 1.693 2.684 7.103 31 H GLY 5 H GLY 5 -1.581 0.008 10.904 32 1HA GLY 5 1HA GLY 5 -4.068 1.246 11.067 33 2HA GLY 5 2HA GLY 5 -4.187 0.218 9.649 34 H CYS 6 H CYS 6 -4.808 0.349 12.878 35 HA CYS 6 HA CYS 6 -5.417 -2.482 13.007 36 1HB CYS 6 1HB CYS 6 -3.429 -1.441 15.023 37 2HB CYS 6 2HB CYS 6 -3.927 -3.092 14.781 38 HA PRO 7 HA PRO 7 -8.602 -0.737 15.622 39 1HB PRO 7 1HB PRO 7 -8.367 -3.236 17.229 40 2HB PRO 7 2HB PRO 7 -9.793 -2.564 16.427 41 1HG PRO 7 1HG PRO 7 -8.297 -4.752 15.506 42 2HG PRO 7 2HG PRO 7 -9.407 -3.796 14.520 43 1HD PRO 7 2HD PRO 7 -6.508 -3.903 14.369 44 2HD PRO 7 1HD PRO 7 -7.634 -3.053 13.297 45 H SER 8 H SER 8 -9.034 -0.397 17.952 46 HA SER 8 HA SER 8 -7.011 1.010 19.150 47 1HB SER 8 1HB SER 8 -8.350 0.940 21.181 48 2HB SER 8 2HB SER 8 -9.520 0.723 19.864 49 HG SER 8 HG SER 8 -9.831 -1.244 20.522 50 H SER 9 H SER 9 -7.574 -2.441 19.318 51 HA SER 9 HA SER 9 -5.770 -3.045 21.445 52 1HB SER 9 1HB SER 9 -6.428 -4.725 18.967 53 2HB SER 9 2HB SER 9 -5.824 -5.344 20.517 54 HG SER 9 HG SER 9 -7.723 -3.997 21.344 55 OH TYR 10 OH TYR 10 -5.084 -8.782 15.518 56 H TYR 10 H TYR 10 -4.406 -5.014 19.419 57 HA TYR 10 HA TYR 10 -2.113 -5.137 18.830 58 1HB TYR 10 1HB TYR 10 -3.468 -3.044 17.075 59 2HB TYR 10 2HB TYR 10 -1.847 -3.657 16.720 60 HD1 TYR 10 HD2 TYR 10 -1.599 -6.231 16.810 61 HD2 TYR 10 HD1 TYR 10 -5.342 -4.306 16.280 62 HE1 TYR 10 HE2 TYR 10 -2.573 -8.381 16.289 63 HE2 TYR 10 HE1 TYR 10 -6.340 -6.465 15.615 64 HH TYR 10 HH TYR 10 -4.469 -9.233 14.936 65 H ASP 11 H ASP 11 -2.533 -3.416 21.080 66 HA ASP 11 HA ASP 11 -0.605 -1.208 20.598 67 1HB ASP 11 1HB ASP 11 -1.320 -0.426 22.833 68 2HB ASP 11 2HB ASP 11 -2.760 -0.810 21.891 69 H GLY 12 H GLY 12 -0.553 -4.396 21.445 70 1HA GLY 12 1HA GLY 12 2.189 -4.409 22.191 71 2HA GLY 12 2HA GLY 12 1.232 -4.476 23.668 72 OH TYR 13 OH TYR 13 1.434 -10.941 15.395 73 H TYR 13 H TYR 13 0.066 -5.916 20.706 74 HA TYR 13 HA TYR 13 -0.304 -8.458 21.986 75 1HB TYR 13 1HB TYR 13 -1.624 -8.748 20.133 76 2HB TYR 13 2HB TYR 13 -1.038 -7.221 19.501 77 HD1 TYR 13 HD2 TYR 13 0.157 -10.802 19.743 78 HD2 TYR 13 HD1 TYR 13 -0.023 -7.231 17.472 79 HE1 TYR 13 HE2 TYR 13 1.066 -11.983 17.785 80 HE2 TYR 13 HE1 TYR 13 0.637 -8.417 15.495 81 HH TYR 13 HH TYR 13 0.686 -11.273 14.892 82 H CYS 14 H CYS 14 2.251 -7.095 20.062 83 HA CYS 14 HA CYS 14 3.721 -9.690 20.138 84 1HB CYS 14 1HB CYS 14 4.975 -7.340 18.850 85 2HB CYS 14 2HB CYS 14 4.815 -8.969 18.254 86 H LEU 15 H LEU 15 5.475 -9.979 21.420 87 HA LEU 15 HA LEU 15 6.063 -8.079 23.491 88 1HB LEU 15 1HB LEU 15 8.242 -9.995 22.879 89 2HB LEU 15 2HB LEU 15 7.352 -9.770 24.375 90 HG LEU 15 HG LEU 15 5.385 -10.934 22.991 91 1HD1 LEU 15 1HD1 LEU 15 6.779 -11.023 20.893 92 2HD1 LEU 15 2HD1 LEU 15 7.927 -12.047 21.741 93 3HD1 LEU 15 3HD1 LEU 15 6.288 -12.621 21.441 94 1HD2 LEU 15 3HD2 LEU 15 7.746 -12.111 24.431 95 2HD2 LEU 15 1HD2 LEU 15 6.076 -11.974 24.969 96 3HD2 LEU 15 2HD2 LEU 15 6.514 -13.172 23.758 97 H ASN 16 H ASN 16 8.210 -9.239 20.920 98 HA ASN 16 HA ASN 16 10.235 -7.296 21.219 99 1HB ASN 16 1HB ASN 16 9.391 -8.322 18.500 100 2HB ASN 16 2HB ASN 16 11.010 -8.148 19.155 101 1HD2 ASN 16 2HD2 ASN 16 10.886 -11.223 20.985 102 2HD2 ASN 16 1HD2 ASN 16 11.599 -9.682 20.965 103 H GLY 17 H GLY 17 10.432 -6.100 18.623 104 1HA GLY 17 1HA GLY 17 8.957 -3.683 19.059 105 2HA GLY 17 2HA GLY 17 9.807 -4.090 17.566 106 H GLY 18 H GLY 18 8.358 -3.837 15.933 107 1HA GLY 18 1HA GLY 18 6.499 -5.342 14.938 108 2HA GLY 18 2HA GLY 18 5.614 -4.920 16.389 109 H VAL 19 H VAL 19 5.787 -4.267 13.246 110 HA VAL 19 HA VAL 19 5.039 -1.450 13.523 111 HB VAL 19 HB VAL 19 5.784 -3.039 11.043 112 1HG1 VAL 19 3HG1 VAL 19 4.604 -0.391 11.478 113 2HG1 VAL 19 1HG1 VAL 19 6.064 -0.339 10.493 114 3HG1 VAL 19 2HG1 VAL 19 4.704 -1.339 9.997 115 1HG2 VAL 19 2HG2 VAL 19 7.669 -2.645 12.644 116 2HG2 VAL 19 3HG2 VAL 19 7.893 -1.789 11.118 117 3HG2 VAL 19 1HG2 VAL 19 7.345 -0.915 12.547 118 H CYS 20 H CYS 20 2.948 -1.474 13.998 119 HA CYS 20 HA CYS 20 0.999 -3.352 13.224 120 1HB CYS 20 1HB CYS 20 0.307 -2.040 14.910 121 2HB CYS 20 2HB CYS 20 1.088 -0.613 14.287 122 H MET 21 H MET 21 -0.359 -3.638 11.636 123 HA MET 21 HA MET 21 -0.752 -1.619 9.514 124 1HB MET 21 1HB MET 21 -0.110 -4.367 8.507 125 2HB MET 21 2HB MET 21 0.275 -2.807 7.790 126 1HG MET 21 1HG MET 21 2.079 -2.512 9.475 127 2HG MET 21 2HG MET 21 1.683 -4.072 10.151 128 1HE MET 21 1HE MET 21 1.209 -4.547 6.568 129 2HE MET 21 2HE MET 21 2.072 -3.024 6.359 130 3HE MET 21 3HE MET 21 2.796 -4.529 5.807 131 H HIS 22 H HIS 22 -2.248 -2.618 7.778 132 HA HIS 22 HA HIS 22 -4.255 -4.388 9.129 133 1HB HIS 22 1HB HIS 22 -6.012 -3.036 8.296 134 2HB HIS 22 2HB HIS 22 -4.796 -1.828 8.697 135 HD1 HIS 22 HD1 HIS 22 -6.518 -3.269 5.841 136 HD2 HIS 22 HD2 HIS 22 -3.352 -0.786 6.428 137 HE1 HIS 22 HE1 HIS 22 -6.066 -2.268 3.662 138 H ILE 23 H ILE 23 -2.373 -3.756 6.326 139 HA ILE 23 HA ILE 23 -2.106 -4.916 4.317 140 HB ILE 23 HB ILE 23 -3.614 -7.132 5.775 141 1HG1 ILE 23 1HG1 ILE 23 -0.634 -6.563 5.761 142 2HG1 ILE 23 2HG1 ILE 23 -1.708 -6.216 7.111 143 1HG2 ILE 23 2HG2 ILE 23 -2.385 -6.907 3.165 144 2HG2 ILE 23 3HG2 ILE 23 -1.435 -8.032 4.131 145 3HG2 ILE 23 1HG2 ILE 23 -3.152 -8.318 3.882 146 1HD1 ILE 23 1HD1 ILE 23 -2.166 -8.921 6.250 147 2HD1 ILE 23 2HD1 ILE 23 -0.438 -8.689 6.491 148 3HD1 ILE 23 3HD1 ILE 23 -1.559 -8.357 7.804 149 H GLU 24 H GLU 24 -3.116 -4.929 2.415 150 HA GLU 24 HA GLU 24 -5.754 -3.992 2.118 151 1HB GLU 24 1HB GLU 24 -3.830 -4.188 0.361 152 2HB GLU 24 2HB GLU 24 -4.420 -5.823 0.089 153 1HG GLU 24 1HG GLU 24 -6.771 -4.479 -0.020 154 2HG GLU 24 2HG GLU 24 -5.688 -3.216 -0.595 155 H SER 25 H SER 25 -7.017 -5.253 3.579 156 HA SER 25 HA SER 25 -8.282 -7.512 2.244 157 1HB SER 25 1HB SER 25 -7.761 -8.715 4.714 158 2HB SER 25 2HB SER 25 -6.843 -9.051 3.233 159 HG SER 25 HG SER 25 -5.283 -8.235 4.452 160 H LEU 26 H LEU 26 -10.157 -8.300 3.433 161 HA LEU 26 HA LEU 26 -11.689 -6.170 4.523 162 1HB LEU 26 1HB LEU 26 -12.225 -8.719 3.604 163 2HB LEU 26 2HB LEU 26 -12.443 -8.930 5.333 164 HG LEU 26 HG LEU 26 -13.914 -6.800 5.249 165 1HD1 LEU 26 3HD1 LEU 26 -13.542 -7.385 2.300 166 2HD1 LEU 26 1HD1 LEU 26 -15.016 -6.628 2.890 167 3HD1 LEU 26 2HD1 LEU 26 -13.469 -5.833 3.130 168 1HD2 LEU 26 3HD2 LEU 26 -14.667 -9.329 5.257 169 2HD2 LEU 26 1HD2 LEU 26 -15.847 -8.081 4.885 170 3HD2 LEU 26 2HD2 LEU 26 -15.110 -9.008 3.584 171 H ASP 27 H ASP 27 -9.293 -8.058 5.978 172 HA ASP 27 HA ASP 27 -9.929 -6.840 8.595 173 1HB ASP 27 1HB ASP 27 -9.679 -9.851 8.139 174 2HB ASP 27 2HB ASP 27 -9.653 -9.099 9.732 175 H SER 28 H SER 28 -8.014 -9.465 9.086 176 HA SER 28 HA SER 28 -5.743 -9.680 9.575 177 1HB SER 28 1HB SER 28 -5.932 -8.426 6.855 178 2HB SER 28 2HB SER 28 -4.331 -8.424 7.621 179 HG SER 28 HG SER 28 -6.074 -10.627 7.216 180 OH TYR 29 OH TYR 29 -9.820 -3.762 10.329 181 H TYR 29 H TYR 29 -4.862 -8.736 11.240 182 HA TYR 29 HA TYR 29 -3.988 -5.900 11.061 183 1HB TYR 29 1HB TYR 29 -5.652 -7.107 13.333 184 2HB TYR 29 2HB TYR 29 -4.855 -5.543 13.427 185 HD1 TYR 29 HD2 TYR 29 -5.393 -4.015 11.214 186 HD2 TYR 29 HD1 TYR 29 -7.924 -7.035 12.819 187 HE1 TYR 29 HE2 TYR 29 -7.340 -2.929 10.195 188 HE2 TYR 29 HE1 TYR 29 -9.863 -5.960 11.770 189 HH TYR 29 HH TYR 29 -10.486 -4.434 10.170 190 H THR 30 H THR 30 -1.791 -6.122 11.410 191 HA THR 30 HA THR 30 -0.994 -7.508 13.904 192 HB THR 30 HB THR 30 -1.156 -9.293 12.016 193 HG1 THR 30 HG1 THR 30 0.906 -10.076 12.675 194 1HG2 THR 30 2HG2 THR 30 0.163 -7.430 10.467 195 2HG2 THR 30 3HG2 THR 30 1.545 -8.285 11.145 196 3HG2 THR 30 1HG2 THR 30 0.346 -9.162 10.201 197 H CYS 31 H CYS 31 1.424 -7.584 14.098 198 HA CYS 31 HA CYS 31 2.534 -4.972 13.167 199 1HB CYS 31 1HB CYS 31 3.595 -4.811 15.227 200 2HB CYS 31 2HB CYS 31 2.147 -5.673 15.678 201 H ASN 32 H ASN 32 3.964 -5.242 11.537 202 HA ASN 32 HA ASN 32 5.121 -7.688 10.718 203 1HB ASN 32 1HB ASN 32 5.034 -5.269 9.605 204 2HB ASN 32 2HB ASN 32 6.609 -5.082 10.375 205 1HD2 ASN 32 2HD2 ASN 32 6.245 -7.524 7.139 206 2HD2 ASN 32 1HD2 ASN 32 4.877 -6.794 7.830 207 H CYS 33 H CYS 33 6.886 -8.836 11.352 208 HA CYS 33 HA CYS 33 8.019 -8.324 13.899 209 1HB CYS 33 1HB CYS 33 8.202 -10.315 11.834 210 2HB CYS 33 2HB CYS 33 9.807 -9.985 12.429 211 H VAL 34 H VAL 34 10.920 -8.864 13.308 212 HA VAL 34 HA VAL 34 11.599 -6.256 12.024 213 HB VAL 34 HB VAL 34 13.247 -6.342 14.270 214 1HG1 VAL 34 3HG1 VAL 34 10.647 -4.876 13.790 215 2HG1 VAL 34 1HG1 VAL 34 11.825 -4.440 15.024 216 3HG1 VAL 34 2HG1 VAL 34 12.254 -4.332 13.320 217 1HG2 VAL 34 2HG2 VAL 34 11.702 -8.138 15.157 218 2HG2 VAL 34 3HG2 VAL 34 11.785 -6.698 16.169 219 3HG2 VAL 34 1HG2 VAL 34 10.401 -6.954 15.112 220 H ILE 35 H ILE 35 14.094 -5.918 12.495 221 HA ILE 35 HA ILE 35 15.389 -7.943 10.866 222 HB ILE 35 HB ILE 35 15.982 -5.173 11.913 223 1HG1 ILE 35 1HG1 ILE 35 16.642 -6.176 9.170 224 2HG1 ILE 35 2HG1 ILE 35 14.948 -5.960 9.595 225 1HG2 ILE 35 1HG2 ILE 35 17.999 -7.270 11.061 226 2HG2 ILE 35 2HG2 ILE 35 18.315 -5.566 10.764 227 3HG2 ILE 35 3HG2 ILE 35 18.092 -6.141 12.406 228 1HD1 ILE 35 2HD1 ILE 35 16.878 -3.765 10.272 229 2HD1 ILE 35 3HD1 ILE 35 16.364 -3.940 8.595 230 3HD1 ILE 35 1HD1 ILE 35 15.167 -3.658 9.856 231 H GLY 36 H GLY 36 15.923 -9.660 11.922 232 1HA GLY 36 1HA GLY 36 17.886 -10.500 13.271 233 2HA GLY 36 2HA GLY 36 17.358 -9.374 14.514 234 OH TYR 37 OH TYR 37 13.773 -6.679 18.641 235 H TYR 37 H TYR 37 14.514 -10.080 13.660 236 HA TYR 37 HA TYR 37 14.490 -12.831 14.583 237 1HB TYR 37 1HB TYR 37 13.053 -12.342 16.491 238 2HB TYR 37 2HB TYR 37 14.786 -11.986 16.556 239 HD1 TYR 37 HD2 TYR 37 14.105 -9.135 14.895 240 HD2 TYR 37 HD1 TYR 37 12.746 -11.031 18.385 241 HE1 TYR 37 HE2 TYR 37 14.329 -7.073 16.071 242 HE2 TYR 37 HE1 TYR 37 13.099 -9.046 19.646 243 HH TYR 37 HH TYR 37 13.343 -6.001 18.115 244 H SER 38 H SER 38 12.673 -13.978 14.621 245 HA SER 38 HA SER 38 10.234 -12.815 13.488 246 1HB SER 38 1HB SER 38 10.261 -13.879 11.343 247 2HB SER 38 2HB SER 38 11.937 -13.329 11.537 248 HG SER 38 HG SER 38 12.002 -15.501 12.789 249 H GLY 39 H GLY 39 9.055 -15.068 12.443 250 1HA GLY 39 1HA GLY 39 8.607 -17.436 13.147 251 2HA GLY 39 2HA GLY 39 8.894 -16.906 14.807 252 H ASP 40 H ASP 40 6.970 -16.775 15.876 253 HA ASP 40 HA ASP 40 4.501 -16.299 14.382 254 1HB ASP 40 1HB ASP 40 4.202 -15.951 17.262 255 2HB ASP 40 2HB ASP 40 3.603 -17.268 16.266 256 NH1 ARG 41 NH1 ARG 41 1.217 -14.054 19.767 257 NH2 ARG 41 NH2 ARG 41 1.883 -13.458 21.874 258 H ARG 41 H ARG 41 6.727 -14.556 16.361 259 HA ARG 41 HA ARG 41 6.019 -11.987 15.324 260 1HB ARG 41 1HB ARG 41 5.492 -11.242 17.933 261 2HB ARG 41 2HB ARG 41 4.234 -11.573 16.759 262 1HG ARG 41 1HG ARG 41 3.837 -13.726 17.602 263 2HG ARG 41 2HG ARG 41 5.383 -13.794 18.445 264 1HD ARG 41 1HD ARG 41 4.592 -12.007 19.978 265 2HD ARG 41 2HD ARG 41 3.050 -11.968 19.125 266 HE ARG 41 HE ARG 41 3.998 -14.457 20.479 267 1HH1 ARG 41 1HH1 ARG 41 1.461 -14.268 18.821 268 2HH1 ARG 41 2HH1 ARG 41 0.260 -14.081 20.055 269 1HH2 ARG 41 1HH2 ARG 41 2.625 -13.232 22.504 270 2HH2 ARG 41 2HH2 ARG 41 0.936 -13.460 22.195 271 H CYS 42 H CYS 42 8.306 -13.269 15.298 272 HA CYS 42 HA CYS 42 10.575 -13.065 15.828 273 1HB CYS 42 1HB CYS 42 10.427 -10.737 17.500 274 2HB CYS 42 2HB CYS 42 11.226 -10.980 15.967 275 H GLN 43 H GLN 43 8.396 -14.113 17.782 276 HA GLN 43 HA GLN 43 9.392 -13.829 20.404 277 1HB GLN 43 1HB GLN 43 7.355 -15.262 19.635 278 2HB GLN 43 2HB GLN 43 8.524 -16.510 19.207 279 1HG GLN 43 1HG GLN 43 9.353 -15.853 21.733 280 2HG GLN 43 2HG GLN 43 7.617 -15.609 21.876 281 1HE2 GLN 43 2HE2 GLN 43 6.838 -19.070 21.274 282 2HE2 GLN 43 1HE2 GLN 43 6.233 -17.498 21.061 283 H THR 44 H THR 44 10.446 -15.506 17.571 284 HA THR 44 HA THR 44 12.678 -16.842 18.933 285 HB THR 44 HB THR 44 12.476 -16.363 15.903 286 HG1 THR 44 HG1 THR 44 11.225 -18.462 17.336 287 1HG2 THR 44 1HG2 THR 44 14.294 -17.773 17.390 288 2HG2 THR 44 2HG2 THR 44 13.044 -19.004 17.243 289 3HG2 THR 44 3HG2 THR 44 13.787 -18.329 15.796 290 NH1 ARG 45 NH1 ARG 45 14.210 -8.463 24.019 291 NH2 ARG 45 NH2 ARG 45 14.131 -7.108 22.177 292 H ARG 45 H ARG 45 13.099 -14.824 19.914 293 HA ARG 45 HA ARG 45 14.264 -12.677 18.326 294 1HB ARG 45 1HB ARG 45 12.895 -12.076 20.274 295 2HB ARG 45 2HB ARG 45 13.842 -13.137 21.302 296 1HG ARG 45 1HG ARG 45 15.763 -11.707 21.119 297 2HG ARG 45 2HG ARG 45 14.993 -10.728 19.876 298 1HD ARG 45 1HD ARG 45 13.164 -10.225 21.584 299 2HD ARG 45 2HD ARG 45 14.175 -11.003 22.791 300 HE ARG 45 HE ARG 45 15.823 -9.088 21.607 301 1HH1 ARG 45 1HH1 ARG 45 14.441 -9.352 24.420 302 2HH1 ARG 45 2HH1 ARG 45 13.811 -7.746 24.590 303 1HH2 ARG 45 1HH2 ARG 45 14.303 -6.980 21.201 304 2HH2 ARG 45 2HH2 ARG 45 13.727 -6.369 22.714 305 H ASP 46 H ASP 46 16.242 -12.643 17.678 306 HA ASP 46 HA ASP 46 18.133 -14.475 18.878 307 1HB ASP 46 1HB ASP 46 18.120 -12.586 16.546 308 2HB ASP 46 2HB ASP 46 19.697 -12.987 17.210 309 H LEU 47 H LEU 47 17.153 -12.803 20.687 310 HA LEU 47 HA LEU 47 17.655 -11.183 22.311 311 1HB LEU 47 1HB LEU 47 20.461 -12.269 21.748 312 2HB LEU 47 2HB LEU 47 19.933 -11.503 23.238 313 HG LEU 47 HG LEU 47 18.401 -13.895 22.280 314 1HD1 LEU 47 2HD1 LEU 47 21.199 -13.896 23.412 315 2HD1 LEU 47 3HD1 LEU 47 20.108 -15.249 23.688 316 3HD1 LEU 47 1HD1 LEU 47 20.574 -14.815 22.047 317 1HD2 LEU 47 2HD2 LEU 47 17.746 -12.575 24.298 318 2HD2 LEU 47 3HD2 LEU 47 18.166 -14.237 24.695 319 3HD2 LEU 47 1HD2 LEU 47 19.312 -12.940 25.012 320 NH1 ARG 48 NH2 ARG 48 18.930 -3.126 24.758 321 NH2 ARG 48 NH1 ARG 48 20.639 -3.213 26.274 322 H ARG 48 H ARG 48 19.299 -9.608 23.018 323 HA ARG 48 HA ARG 48 19.081 -7.351 21.544 324 1HB ARG 48 1HB ARG 48 21.245 -8.202 23.465 325 2HB ARG 48 2HB ARG 48 21.097 -6.545 22.885 326 1HG ARG 48 1HG ARG 48 18.543 -7.764 23.775 327 2HG ARG 48 2HG ARG 48 19.729 -7.588 25.071 328 1HD ARG 48 1HD ARG 48 19.281 -5.257 23.248 329 2HD ARG 48 2HD ARG 48 18.041 -5.620 24.436 330 HE ARG 48 HE ARG 48 20.523 -5.625 25.799 331 1HH1 ARG 48 1HH2 ARG 48 18.321 -3.604 24.125 332 2HH1 ARG 48 2HH2 ARG 48 18.849 -2.136 24.878 333 1HH2 ARG 48 1HH1 ARG 48 21.310 -3.756 26.777 334 2HH2 ARG 48 2HH1 ARG 48 20.587 -2.223 26.416 335 CH2 TRP 49 CH2 TRP 49 21.248 -8.098 12.618 336 H TRP 49 H TRP 49 19.416 -7.216 19.523 337 HA TRP 49 HA TRP 49 22.126 -6.959 18.590 338 1HB TRP 49 1HB TRP 49 22.422 -8.995 17.585 339 2HB TRP 49 2HB TRP 49 21.078 -9.546 18.556 340 HD1 TRP 49 HD1 TRP 49 18.956 -10.511 17.183 341 HE1 TRP 49 HE1 TRP 49 18.795 -10.871 14.695 342 HE3 TRP 49 HE3 TRP 49 22.319 -7.201 15.671 343 HZ2 TRP 49 HZ2 TRP 49 19.795 -9.612 12.220 344 HZ3 TRP 49 HZ3 TRP 49 22.655 -6.647 13.310 345 HH2 TRP 49 HH2 TRP 49 21.376 -7.835 11.577 346 CH2 TRP 50 CH2 TRP 50 17.537 -5.500 21.240 347 H TRP 50 H TRP 50 21.316 -4.863 18.201 348 HA TRP 50 HA TRP 50 20.793 -3.995 15.710 349 1HB TRP 50 1HB TRP 50 18.216 -3.793 15.626 350 2HB TRP 50 2HB TRP 50 18.936 -5.331 15.232 351 HD1 TRP 50 HD1 TRP 50 16.304 -5.960 15.841 352 HE1 TRP 50 HE1 TRP 50 15.636 -7.214 17.931 353 HE3 TRP 50 HE3 TRP 50 19.581 -4.017 19.100 354 HZ2 TRP 50 HZ2 TRP 50 16.213 -7.099 20.818 355 HZ3 TRP 50 HZ3 TRP 50 19.031 -3.981 21.401 356 HH2 TRP 50 HH2 TRP 50 17.307 -5.507 22.286 357 H GLU 51 H GLU 51 17.996 -3.380 17.524 358 HA GLU 51 HA GLU 51 18.813 -0.594 18.057 359 1HB GLU 51 1HB GLU 51 16.568 -1.907 16.890 360 2HB GLU 51 2HB GLU 51 16.011 -1.278 18.449 361 1HG GLU 51 1HG GLU 51 15.687 0.474 16.774 362 2HG GLU 51 2HG GLU 51 16.973 0.968 17.872 363 H LEU 52 H LEU 52 19.140 0.052 20.088 364 HA LEU 52 HA LEU 52 18.302 -1.725 22.310 365 1HB LEU 52 1HB LEU 52 19.822 0.896 22.597 366 2HB LEU 52 2HB LEU 52 19.869 -0.506 23.659 367 HG LEU 52 HG LEU 52 20.700 -1.555 21.227 368 1HD1 LEU 52 2HD1 LEU 52 20.847 0.777 20.338 369 2HD1 LEU 52 3HD1 LEU 52 21.973 1.172 21.634 370 3HD1 LEU 52 1HD1 LEU 52 22.421 -0.011 20.407 371 1HD2 LEU 52 3HD2 LEU 52 22.271 -0.439 23.571 372 2HD2 LEU 52 1HD2 LEU 52 21.716 -2.098 23.359 373 3HD2 LEU 52 2HD2 LEU 52 22.982 -1.452 22.318 374 NH1 ARG 53 NH2 ARG 53 19.328 6.729 23.611 375 NH2 ARG 53 NH1 ARG 53 17.958 8.535 23.313 376 H ARG 53 H ARG 53 18.025 1.680 21.337 377 HA ARG 53 HA ARG 53 15.657 1.925 23.157 378 1HB ARG 53 1HB ARG 53 17.918 3.433 23.236 379 2HB ARG 53 2HB ARG 53 17.025 4.344 22.025 380 1HG ARG 53 1HG ARG 53 15.117 4.561 23.559 381 2HG ARG 53 2HG ARG 53 15.955 3.591 24.764 382 1HD ARG 53 1HD ARG 53 16.148 6.071 25.169 383 2HD ARG 53 2HD ARG 53 17.707 5.271 24.981 384 HE ARG 53 HE ARG 53 16.558 6.442 22.525 385 1HH1 ARG 53 1HH2 ARG 53 19.433 5.738 23.691 386 2HH1 ARG 53 2HH2 ARG 53 20.130 7.324 23.679 387 1HH2 ARG 53 1HH1 ARG 53 17.037 8.896 23.170 388 2HH2 ARG 53 2HH1 ARG 53 18.736 9.161 23.377 Start of MODEL 2 Raw file had 388 H/Q atoms Start of MODEL 2 1 1H ASN 1 1H ASN 1 3.113 1.483 0.266 2 2H ASN 1 2H ASN 1 3.032 -0.093 -0.365 3 3H ASN 1 3H ASN 1 2.659 1.239 -1.352 4 HA ASN 1 HA ASN 1 0.696 1.721 -0.162 5 1HB ASN 1 1HB ASN 1 0.622 -0.228 -1.808 6 2HB ASN 1 2HB ASN 1 0.895 -1.320 -0.452 7 1HD2 ASN 1 2HD2 ASN 1 -2.809 -0.930 -1.070 8 2HD2 ASN 1 1HD2 ASN 1 -1.509 -1.362 -2.072 9 H SER 2 H SER 2 2.855 -0.461 1.465 10 HA SER 2 HA SER 2 1.184 -1.046 3.720 11 1HB SER 2 1HB SER 2 3.398 -1.625 4.821 12 2HB SER 2 2HB SER 2 3.263 -2.331 3.200 13 HG SER 2 HG SER 2 4.099 0.230 3.077 14 OH TYR 3 OH TYR 3 -4.702 3.267 7.075 15 H TYR 3 H TYR 3 0.992 -0.094 5.695 16 HA TYR 3 HA TYR 3 2.561 2.117 6.624 17 1HB TYR 3 1HB TYR 3 1.287 3.980 5.955 18 2HB TYR 3 2HB TYR 3 0.869 2.923 4.622 19 HD1 TYR 3 HD1 TYR 3 -1.074 1.103 5.464 20 HD2 TYR 3 HD2 TYR 3 -0.577 5.103 6.820 21 HE1 TYR 3 HE1 TYR 3 -3.455 1.214 6.027 22 HE2 TYR 3 HE2 TYR 3 -2.953 5.193 7.416 23 HH TYR 3 HH TYR 3 -4.833 2.802 7.904 24 HA PRO 4 HA PRO 4 0.844 0.889 10.479 25 1HB PRO 4 1HB PRO 4 -0.030 3.614 11.191 26 2HB PRO 4 2HB PRO 4 1.226 2.627 11.940 27 1HG PRO 4 1HG PRO 4 1.604 4.858 10.187 28 2HG PRO 4 2HG PRO 4 2.850 3.786 10.828 29 1HD PRO 4 2HD PRO 4 1.928 3.952 8.121 30 2HD PRO 4 1HD PRO 4 3.113 2.813 8.775 31 H GLY 5 H GLY 5 -1.146 0.348 11.377 32 1HA GLY 5 1HA GLY 5 -3.603 1.613 11.111 33 2HA GLY 5 2HA GLY 5 -3.423 0.704 9.618 34 H CYS 6 H CYS 6 -4.521 0.553 12.780 35 HA CYS 6 HA CYS 6 -5.325 -2.201 12.504 36 1HB CYS 6 1HB CYS 6 -3.932 -3.200 14.189 37 2HB CYS 6 2HB CYS 6 -2.879 -2.402 13.055 38 HA PRO 7 HA PRO 7 -8.301 -0.478 15.359 39 1HB PRO 7 1HB PRO 7 -8.652 -3.197 16.460 40 2HB PRO 7 2HB PRO 7 -9.843 -2.173 15.654 41 1HG PRO 7 1HG PRO 7 -8.553 -4.432 14.541 42 2HG PRO 7 2HG PRO 7 -9.507 -3.239 13.658 43 1HD PRO 7 2HD PRO 7 -6.655 -3.662 13.545 44 2HD PRO 7 1HD PRO 7 -7.618 -2.484 12.642 45 H SER 8 H SER 8 -8.906 -1.146 17.794 46 HA SER 8 HA SER 8 -6.893 -0.104 19.373 47 1HB SER 8 1HB SER 8 -8.187 -1.256 21.305 48 2HB SER 8 2HB SER 8 -9.195 -0.291 20.206 49 HG SER 8 HG SER 8 -9.357 -2.882 20.675 50 H SER 9 H SER 9 -7.764 -3.099 20.681 51 HA SER 9 HA SER 9 -5.884 -4.293 21.866 52 1HB SER 9 1HB SER 9 -6.141 -6.470 20.620 53 2HB SER 9 2HB SER 9 -7.700 -5.640 20.793 54 HG SER 9 HG SER 9 -7.648 -5.059 18.737 55 OH TYR 10 OH TYR 10 -5.667 -9.155 15.137 56 H TYR 10 H TYR 10 -5.358 -4.286 18.338 57 HA TYR 10 HA TYR 10 -2.748 -5.313 18.378 58 1HB TYR 10 1HB TYR 10 -4.156 -3.367 16.505 59 2HB TYR 10 2HB TYR 10 -2.513 -3.924 16.177 60 HD1 TYR 10 HD2 TYR 10 -2.262 -6.593 16.579 61 HD2 TYR 10 HD1 TYR 10 -5.840 -4.617 15.432 62 HE1 TYR 10 HE2 TYR 10 -3.259 -8.751 16.179 63 HE2 TYR 10 HE1 TYR 10 -6.836 -6.804 14.877 64 HH TYR 10 HH TYR 10 -6.245 -9.411 15.860 65 H ASP 11 H ASP 11 -3.559 -2.605 20.035 66 HA ASP 11 HA ASP 11 -1.570 -0.723 19.404 67 1HB ASP 11 1HB ASP 11 -3.197 -0.176 21.128 68 2HB ASP 11 2HB ASP 11 -2.768 -1.598 22.073 69 H GLY 12 H GLY 12 -1.281 -3.906 20.568 70 1HA GLY 12 1HA GLY 12 1.475 -4.156 20.254 71 2HA GLY 12 2HA GLY 12 1.266 -3.648 21.926 72 OH TYR 13 OH TYR 13 0.924 -11.407 15.448 73 H TYR 13 H TYR 13 0.041 -6.070 19.602 74 HA TYR 13 HA TYR 13 -0.703 -7.852 21.820 75 1HB TYR 13 1HB TYR 13 -1.937 -8.981 20.208 76 2HB TYR 13 2HB TYR 13 -1.691 -7.519 19.276 77 HD1 TYR 13 HD2 TYR 13 0.018 -10.851 19.863 78 HD2 TYR 13 HD1 TYR 13 -0.750 -7.631 17.219 79 HE1 TYR 13 HE2 TYR 13 0.893 -12.176 17.971 80 HE2 TYR 13 HE1 TYR 13 -0.119 -8.969 15.340 81 HH TYR 13 HH TYR 13 0.638 -10.976 14.639 82 H CYS 14 H CYS 14 1.875 -7.377 19.634 83 HA CYS 14 HA CYS 14 3.162 -9.950 20.399 84 1HB CYS 14 1HB CYS 14 4.269 -7.791 18.602 85 2HB CYS 14 2HB CYS 14 4.735 -9.465 18.651 86 H LEU 15 H LEU 15 5.383 -10.014 21.046 87 HA LEU 15 HA LEU 15 6.017 -7.953 23.035 88 1HB LEU 15 1HB LEU 15 8.070 -10.020 22.282 89 2HB LEU 15 2HB LEU 15 7.545 -9.523 23.882 90 HG LEU 15 HG LEU 15 5.277 -10.756 22.980 91 1HD1 LEU 15 1HD1 LEU 15 6.495 -11.376 20.856 92 2HD1 LEU 15 2HD1 LEU 15 7.634 -12.292 21.830 93 3HD1 LEU 15 3HD1 LEU 15 5.943 -12.780 21.766 94 1HD2 LEU 15 3HD2 LEU 15 7.714 -11.795 24.423 95 2HD2 LEU 15 1HD2 LEU 15 6.160 -11.324 25.099 96 3HD2 LEU 15 2HD2 LEU 15 6.304 -12.816 24.178 97 H ASN 16 H ASN 16 8.986 -8.317 22.509 98 HA ASN 16 HA ASN 16 10.557 -6.838 21.467 99 1HB ASN 16 1HB ASN 16 9.336 -7.558 18.839 100 2HB ASN 16 2HB ASN 16 10.995 -7.773 19.391 101 1HD2 ASN 16 2HD2 ASN 16 10.443 -11.040 20.652 102 2HD2 ASN 16 1HD2 ASN 16 11.515 -9.725 20.571 103 H GLY 17 H GLY 17 10.306 -5.614 18.894 104 1HA GLY 17 1HA GLY 17 8.933 -3.181 19.646 105 2HA GLY 17 2HA GLY 17 9.645 -3.507 18.063 106 H GLY 18 H GLY 18 8.391 -4.853 16.573 107 1HA GLY 18 1HA GLY 18 6.367 -5.738 15.698 108 2HA GLY 18 2HA GLY 18 5.552 -5.292 17.194 109 H VAL 19 H VAL 19 5.300 -4.766 14.123 110 HA VAL 19 HA VAL 19 4.616 -1.930 14.418 111 HB VAL 19 HB VAL 19 5.519 -3.335 11.882 112 1HG1 VAL 19 3HG1 VAL 19 4.217 -0.835 12.390 113 2HG1 VAL 19 1HG1 VAL 19 5.870 -0.489 11.886 114 3HG1 VAL 19 2HG1 VAL 19 4.818 -1.446 10.850 115 1HG2 VAL 19 2HG2 VAL 19 7.336 -3.204 13.573 116 2HG2 VAL 19 3HG2 VAL 19 7.651 -2.122 12.217 117 3HG2 VAL 19 1HG2 VAL 19 7.046 -1.475 13.737 118 H CYS 20 H CYS 20 2.509 -2.051 14.790 119 HA CYS 20 HA CYS 20 0.706 -3.955 13.642 120 1HB CYS 20 1HB CYS 20 -0.621 -3.063 15.170 121 2HB CYS 20 2HB CYS 20 0.688 -2.002 15.596 122 H MET 21 H MET 21 -0.021 -4.117 11.688 123 HA MET 21 HA MET 21 -0.371 -1.637 10.039 124 1HB MET 21 1HB MET 21 0.184 -4.295 8.742 125 2HB MET 21 2HB MET 21 0.664 -2.685 8.206 126 1HG MET 21 1HG MET 21 2.129 -2.794 10.430 127 2HG MET 21 2HG MET 21 1.975 -4.514 10.173 128 1HE MET 21 2HE MET 21 2.578 -1.246 8.755 129 2HE MET 21 3HE MET 21 4.214 -1.291 8.102 130 3HE MET 21 1HE MET 21 2.842 -1.700 7.075 131 H HIS 22 H HIS 22 -1.659 -2.252 8.007 132 HA HIS 22 HA HIS 22 -3.971 -3.970 8.767 133 1HB HIS 22 1HB HIS 22 -5.185 -2.024 8.822 134 2HB HIS 22 2HB HIS 22 -3.822 -1.103 8.210 135 HD1 HIS 22 HD1 HIS 22 -6.957 -2.533 7.103 136 HD2 HIS 22 HD2 HIS 22 -3.644 -0.991 5.323 137 HE1 HIS 22 HE1 HIS 22 -7.602 -2.101 4.790 138 H ILE 23 H ILE 23 -2.308 -2.323 6.115 139 HA ILE 23 HA ILE 23 -2.027 -2.913 3.870 140 HB ILE 23 HB ILE 23 -2.384 -5.732 5.012 141 1HG1 ILE 23 1HG1 ILE 23 0.297 -4.526 4.451 142 2HG1 ILE 23 2HG1 ILE 23 -0.526 -4.028 5.923 143 1HG2 ILE 23 2HG2 ILE 23 -1.073 -4.623 2.487 144 2HG2 ILE 23 3HG2 ILE 23 -0.879 -6.286 3.032 145 3HG2 ILE 23 1HG2 ILE 23 -2.466 -5.696 2.564 146 1HD1 ILE 23 1HD1 ILE 23 -0.069 -6.924 5.125 147 2HD1 ILE 23 2HD1 ILE 23 0.943 -6.038 6.258 148 3HD1 ILE 23 3HD1 ILE 23 -0.746 -6.350 6.645 149 H GLU 24 H GLU 24 -3.139 -3.624 1.976 150 HA GLU 24 HA GLU 24 -6.061 -3.756 2.428 151 1HB GLU 24 1HB GLU 24 -4.547 -3.576 -0.216 152 2HB GLU 24 2HB GLU 24 -6.236 -3.173 0.064 153 1HG GLU 24 1HG GLU 24 -4.766 -1.628 1.921 154 2HG GLU 24 2HG GLU 24 -3.908 -1.488 0.388 155 H SER 25 H SER 25 -3.441 -5.655 1.067 156 HA SER 25 HA SER 25 -5.161 -7.678 -0.090 157 1HB SER 25 1HB SER 25 -2.266 -8.056 0.808 158 2HB SER 25 2HB SER 25 -3.095 -8.846 -0.548 159 HG SER 25 HG SER 25 -1.793 -6.557 -0.582 160 H LEU 26 H LEU 26 -6.192 -9.272 0.889 161 HA LEU 26 HA LEU 26 -6.992 -10.597 2.662 162 1HB LEU 26 1HB LEU 26 -4.029 -10.961 2.414 163 2HB LEU 26 2HB LEU 26 -4.737 -11.571 3.899 164 HG LEU 26 HG LEU 26 -4.652 -13.314 2.135 165 1HD1 LEU 26 1HD1 LEU 26 -6.765 -12.742 3.804 166 2HD1 LEU 26 2HD1 LEU 26 -7.564 -12.871 2.241 167 3HD1 LEU 26 3HD1 LEU 26 -6.607 -14.217 2.855 168 1HD2 LEU 26 2HD2 LEU 26 -4.890 -11.757 0.199 169 2HD2 LEU 26 3HD2 LEU 26 -6.010 -13.112 0.120 170 3HD2 LEU 26 1HD2 LEU 26 -6.583 -11.526 0.615 171 H ASP 27 H ASP 27 -7.961 -9.214 4.061 172 HA ASP 27 HA ASP 27 -6.549 -7.479 5.863 173 1HB ASP 27 1HB ASP 27 -9.362 -8.655 5.858 174 2HB ASP 27 2HB ASP 27 -8.832 -7.476 7.057 175 H SER 28 H SER 28 -6.565 -7.677 8.241 176 HA SER 28 HA SER 28 -7.107 -9.971 9.718 177 1HB SER 28 1HB SER 28 -5.674 -11.514 8.749 178 2HB SER 28 2HB SER 28 -4.691 -10.253 7.981 179 HG SER 28 HG SER 28 -4.568 -11.301 10.573 180 OH TYR 29 OH TYR 29 -9.747 -3.595 9.388 181 H TYR 29 H TYR 29 -5.054 -7.251 9.165 182 HA TYR 29 HA TYR 29 -3.942 -5.797 10.630 183 1HB TYR 29 1HB TYR 29 -5.860 -7.012 12.680 184 2HB TYR 29 2HB TYR 29 -5.038 -5.463 12.819 185 HD1 TYR 29 HD2 TYR 29 -5.409 -3.895 10.642 186 HD2 TYR 29 HD1 TYR 29 -8.080 -6.933 11.954 187 HE1 TYR 29 HE2 TYR 29 -7.258 -2.776 9.486 188 HE2 TYR 29 HE1 TYR 29 -9.923 -5.820 10.785 189 HH TYR 29 HH TYR 29 -9.586 -2.648 9.416 190 H THR 30 H THR 30 -1.891 -6.114 11.333 191 HA THR 30 HA THR 30 -1.436 -7.913 13.609 192 HB THR 30 HB THR 30 -1.449 -9.667 11.916 193 HG1 THR 30 HG1 THR 30 1.252 -9.014 11.835 194 1HG2 THR 30 2HG2 THR 30 0.071 -7.552 10.324 195 2HG2 THR 30 3HG2 THR 30 0.363 -9.257 9.984 196 3HG2 THR 30 1HG2 THR 30 -1.250 -8.585 9.778 197 H CYS 31 H CYS 31 0.876 -8.163 14.101 198 HA CYS 31 HA CYS 31 2.226 -5.556 13.695 199 1HB CYS 31 1HB CYS 31 3.190 -5.933 15.757 200 2HB CYS 31 2HB CYS 31 1.772 -6.931 15.949 201 H ASN 32 H ASN 32 3.833 -5.425 12.235 202 HA ASN 32 HA ASN 32 4.861 -7.817 10.964 203 1HB ASN 32 1HB ASN 32 4.746 -5.189 10.203 204 2HB ASN 32 2HB ASN 32 6.408 -5.246 10.787 205 1HD2 ASN 32 2HD2 ASN 32 5.554 -7.956 7.810 206 2HD2 ASN 32 1HD2 ASN 32 4.476 -7.782 9.109 207 H CYS 33 H CYS 33 6.637 -8.987 11.520 208 HA CYS 33 HA CYS 33 7.823 -8.472 14.075 209 1HB CYS 33 1HB CYS 33 7.804 -10.555 12.106 210 2HB CYS 33 2HB CYS 33 9.465 -10.269 12.544 211 H VAL 34 H VAL 34 10.663 -9.181 13.306 212 HA VAL 34 HA VAL 34 11.357 -6.567 12.017 213 HB VAL 34 HB VAL 34 13.289 -7.212 13.990 214 1HG1 VAL 34 2HG1 VAL 34 12.733 -4.979 13.010 215 2HG1 VAL 34 3HG1 VAL 34 11.254 -4.982 13.970 216 3HG1 VAL 34 1HG1 VAL 34 12.826 -4.973 14.769 217 1HG2 VAL 34 1HG2 VAL 34 10.434 -7.096 15.009 218 2HG2 VAL 34 2HG2 VAL 34 11.551 -8.444 15.195 219 3HG2 VAL 34 3HG2 VAL 34 11.850 -6.926 16.035 220 H ILE 35 H ILE 35 13.869 -6.430 11.957 221 HA ILE 35 HA ILE 35 14.653 -8.565 10.139 222 HB ILE 35 HB ILE 35 15.657 -5.829 10.952 223 1HG1 ILE 35 1HG1 ILE 35 15.548 -6.871 8.148 224 2HG1 ILE 35 2HG1 ILE 35 14.023 -6.578 8.973 225 1HG2 ILE 35 1HG2 ILE 35 17.225 -8.098 9.705 226 2HG2 ILE 35 2HG2 ILE 35 17.588 -6.437 9.251 227 3HG2 ILE 35 3HG2 ILE 35 17.746 -6.944 10.927 228 1HD1 ILE 35 2HD1 ILE 35 16.203 -4.491 9.008 229 2HD1 ILE 35 3HD1 ILE 35 15.104 -4.611 7.636 230 3HD1 ILE 35 1HD1 ILE 35 14.472 -4.276 9.245 231 H GLY 36 H GLY 36 15.207 -10.306 11.215 232 1HA GLY 36 1HA GLY 36 17.319 -11.313 12.171 233 2HA GLY 36 2HA GLY 36 17.262 -10.040 13.376 234 OH TYR 37 OH TYR 37 14.088 -6.213 18.104 235 H TYR 37 H TYR 37 14.280 -10.234 13.525 236 HA TYR 37 HA TYR 37 14.232 -12.894 14.782 237 1HB TYR 37 1HB TYR 37 12.932 -12.026 16.650 238 2HB TYR 37 2HB TYR 37 14.667 -11.775 16.548 239 HD1 TYR 37 HD2 TYR 37 14.402 -9.135 14.705 240 HD2 TYR 37 HD1 TYR 37 12.639 -10.474 18.311 241 HE1 TYR 37 HE2 TYR 37 14.696 -6.957 15.638 242 HE2 TYR 37 HE1 TYR 37 13.193 -8.378 19.371 243 HH TYR 37 HH TYR 37 13.248 -5.927 18.473 244 H SER 38 H SER 38 12.525 -14.089 14.987 245 HA SER 38 HA SER 38 9.960 -13.131 13.912 246 1HB SER 38 1HB SER 38 11.137 -15.466 12.396 247 2HB SER 38 2HB SER 38 9.917 -14.291 11.862 248 HG SER 38 HG SER 38 12.668 -14.105 11.899 249 H GLY 39 H GLY 39 9.300 -15.888 12.988 250 1HA GLY 39 1HA GLY 39 8.856 -18.059 14.017 251 2HA GLY 39 2HA GLY 39 9.149 -17.329 15.600 252 H ASP 40 H ASP 40 7.198 -17.352 16.685 253 HA ASP 40 HA ASP 40 4.672 -17.205 15.266 254 1HB ASP 40 1HB ASP 40 5.093 -18.153 17.658 255 2HB ASP 40 2HB ASP 40 5.137 -16.477 18.199 256 NH1 ARG 41 NH2 ARG 41 2.629 -12.110 21.987 257 NH2 ARG 41 NH1 ARG 41 1.896 -14.246 22.333 258 H ARG 41 H ARG 41 6.681 -15.008 17.068 259 HA ARG 41 HA ARG 41 5.957 -12.705 15.518 260 1HB ARG 41 1HB ARG 41 5.146 -11.592 17.896 261 2HB ARG 41 2HB ARG 41 4.016 -12.229 16.720 262 1HG ARG 41 1HG ARG 41 3.584 -14.146 17.954 263 2HG ARG 41 2HG ARG 41 5.156 -14.125 18.752 264 1HD ARG 41 1HD ARG 41 4.441 -12.119 20.049 265 2HD ARG 41 2HD ARG 41 2.860 -12.202 19.277 266 HE ARG 41 HE ARG 41 3.497 -14.723 20.513 267 1HH1 ARG 41 1HH2 ARG 41 3.175 -11.468 21.446 268 2HH1 ARG 41 2HH2 ARG 41 2.118 -11.784 22.782 269 1HH2 ARG 41 1HH1 ARG 41 1.890 -15.207 22.053 270 2HH2 ARG 41 2HH1 ARG 41 1.364 -13.955 23.129 271 H CYS 42 H CYS 42 8.285 -13.375 15.567 272 HA CYS 42 HA CYS 42 10.495 -13.004 16.212 273 1HB CYS 42 1HB CYS 42 10.056 -10.663 17.826 274 2HB CYS 42 2HB CYS 42 10.981 -10.869 16.349 275 H GLN 43 H GLN 43 8.404 -14.260 18.095 276 HA GLN 43 HA GLN 43 9.194 -13.857 20.770 277 1HB GLN 43 1HB GLN 43 7.442 -15.490 20.453 278 2HB GLN 43 2HB GLN 43 8.347 -16.335 19.200 279 1HG GLN 43 1HG GLN 43 9.767 -17.383 20.757 280 2HG GLN 43 2HG GLN 43 9.437 -16.188 22.007 281 1HE2 GLN 43 2HE2 GLN 43 7.477 -19.099 23.049 282 2HE2 GLN 43 1HE2 GLN 43 9.099 -18.602 23.008 283 H THR 44 H THR 44 10.633 -15.317 18.041 284 HA THR 44 HA THR 44 12.966 -16.332 19.535 285 HB THR 44 HB THR 44 12.048 -16.424 16.601 286 HG1 THR 44 HG1 THR 44 12.733 -18.703 17.341 287 1HG2 THR 44 1HG2 THR 44 14.803 -16.782 17.800 288 2HG2 THR 44 2HG2 THR 44 14.284 -17.975 16.618 289 3HG2 THR 44 3HG2 THR 44 14.382 -16.277 16.168 290 NH1 ARG 45 NH2 ARG 45 14.252 -8.166 24.046 291 NH2 ARG 45 NH1 ARG 45 15.213 -9.937 25.126 292 H ARG 45 H ARG 45 13.331 -14.185 20.311 293 HA ARG 45 HA ARG 45 14.218 -12.152 18.414 294 1HB ARG 45 1HB ARG 45 13.015 -11.307 20.333 295 2HB ARG 45 2HB ARG 45 13.972 -12.288 21.435 296 1HG ARG 45 1HG ARG 45 15.916 -10.923 21.079 297 2HG ARG 45 2HG ARG 45 15.150 -10.073 19.742 298 1HD ARG 45 1HD ARG 45 14.964 -8.645 21.685 299 2HD ARG 45 2HD ARG 45 13.362 -9.334 21.422 300 HE ARG 45 HE ARG 45 14.282 -11.132 23.152 301 1HH1 ARG 45 1HH2 ARG 45 13.807 -7.800 23.229 302 2HH1 ARG 45 2HH2 ARG 45 14.410 -7.573 24.837 303 1HH2 ARG 45 1HH1 ARG 45 15.487 -10.900 25.115 304 2HH2 ARG 45 2HH1 ARG 45 15.387 -9.379 25.937 305 H ASP 46 H ASP 46 16.161 -11.970 17.661 306 HA ASP 46 HA ASP 46 18.234 -13.643 18.770 307 1HB ASP 46 1HB ASP 46 17.852 -12.724 16.260 308 2HB ASP 46 2HB ASP 46 18.893 -11.428 16.842 309 H LEU 47 H LEU 47 17.348 -12.107 20.688 310 HA LEU 47 HA LEU 47 17.849 -10.460 22.272 311 1HB LEU 47 1HB LEU 47 20.547 -11.635 21.447 312 2HB LEU 47 2HB LEU 47 20.392 -10.508 22.786 313 HG LEU 47 HG LEU 47 18.382 -12.552 23.070 314 1HD1 LEU 47 1HD1 LEU 47 19.936 -13.903 21.652 315 2HD1 LEU 47 2HD1 LEU 47 21.230 -13.577 22.801 316 3HD1 LEU 47 3HD1 LEU 47 19.830 -14.522 23.298 317 1HD2 LEU 47 1HD2 LEU 47 20.920 -11.883 24.606 318 2HD2 LEU 47 2HD2 LEU 47 19.321 -11.199 24.898 319 3HD2 LEU 47 3HD2 LEU 47 19.619 -12.908 25.212 320 NH1 ARG 48 NH1 ARG 48 21.226 -4.708 24.775 321 NH2 ARG 48 NH2 ARG 48 19.512 -3.197 24.762 322 H ARG 48 H ARG 48 20.987 -9.689 20.950 323 HA ARG 48 HA ARG 48 19.683 -7.246 20.001 324 1HB ARG 48 1HB ARG 48 21.971 -7.398 21.907 325 2HB ARG 48 2HB ARG 48 21.616 -5.923 21.014 326 1HG ARG 48 1HG ARG 48 19.292 -7.217 22.381 327 2HG ARG 48 2HG ARG 48 20.483 -6.502 23.431 328 1HD ARG 48 1HD ARG 48 19.480 -4.913 21.079 329 2HD ARG 48 2HD ARG 48 18.431 -5.047 22.496 330 HE ARG 48 HE ARG 48 20.795 -3.397 22.296 331 1HH1 ARG 48 1HH1 ARG 48 21.858 -5.290 24.264 332 2HH1 ARG 48 2HH1 ARG 48 21.275 -4.673 25.773 333 1HH2 ARG 48 1HH2 ARG 48 18.860 -2.645 24.245 334 2HH2 ARG 48 2HH2 ARG 48 19.537 -3.137 25.761 335 CH2 TRP 49 CH2 TRP 49 17.331 -4.760 13.171 336 H TRP 49 H TRP 49 19.831 -7.256 17.987 337 HA TRP 49 HA TRP 49 22.508 -7.357 16.671 338 1HB TRP 49 1HB TRP 49 21.206 -7.924 14.600 339 2HB TRP 49 2HB TRP 49 20.769 -9.050 15.874 340 HD1 TRP 49 HD1 TRP 49 18.203 -9.233 16.526 341 HE1 TRP 49 HE1 TRP 49 16.207 -8.010 15.625 342 HE3 TRP 49 HE3 TRP 49 20.490 -5.635 13.886 343 HZ2 TRP 49 HZ2 TRP 49 15.588 -5.727 13.911 344 HZ3 TRP 49 HZ3 TRP 49 19.232 -3.980 12.600 345 HH2 TRP 49 HH2 TRP 49 16.774 -4.032 12.600 346 CH2 TRP 50 CH2 TRP 50 14.958 -4.508 20.999 347 H TRP 50 H TRP 50 19.367 -5.938 16.805 348 HA TRP 50 HA TRP 50 19.700 -3.500 15.355 349 1HB TRP 50 1HB TRP 50 17.598 -2.870 16.717 350 2HB TRP 50 2HB TRP 50 17.480 -4.414 15.911 351 HD1 TRP 50 HD1 TRP 50 19.570 -5.603 18.477 352 HE1 TRP 50 HE1 TRP 50 18.090 -6.878 20.010 353 HE3 TRP 50 HE3 TRP 50 15.730 -2.634 18.279 354 HZ2 TRP 50 HZ2 TRP 50 15.828 -6.430 21.457 355 HZ3 TRP 50 HZ3 TRP 50 14.279 -2.614 20.257 356 HH2 TRP 50 HH2 TRP 50 14.371 -4.475 21.890 357 H GLU 51 H GLU 51 18.352 -2.844 18.315 358 HA GLU 51 HA GLU 51 19.101 -2.016 20.373 359 1HB GLU 51 1HB GLU 51 21.298 -1.222 20.714 360 2HB GLU 51 2HB GLU 51 21.542 -2.489 19.529 361 1HG GLU 51 1HG GLU 51 22.715 -0.803 18.446 362 2HG GLU 51 2HG GLU 51 21.118 -0.336 17.874 363 H LEU 52 H LEU 52 18.473 -0.790 17.425 364 HA LEU 52 HA LEU 52 18.428 2.052 18.087 365 1HB LEU 52 1HB LEU 52 18.545 1.223 15.716 366 2HB LEU 52 2HB LEU 52 16.978 0.457 15.902 367 HG LEU 52 HG LEU 52 16.017 2.780 16.403 368 1HD1 LEU 52 1HD1 LEU 52 18.846 3.513 15.650 369 2HD1 LEU 52 2HD1 LEU 52 17.515 4.624 15.353 370 3HD1 LEU 52 3HD1 LEU 52 17.879 4.106 16.995 371 1HD2 LEU 52 1HD2 LEU 52 15.813 1.667 14.197 372 2HD2 LEU 52 2HD2 LEU 52 15.947 3.415 14.043 373 3HD2 LEU 52 3HD2 LEU 52 17.341 2.393 13.709 374 NH1 ARG 53 NH2 ARG 53 12.192 -1.610 22.916 375 NH2 ARG 53 NH1 ARG 53 11.577 -1.118 25.059 376 H ARG 53 H ARG 53 17.319 1.705 20.184 377 HA ARG 53 HA ARG 53 14.485 0.933 20.016 378 1HB ARG 53 1HB ARG 53 16.401 0.869 22.052 379 2HB ARG 53 2HB ARG 53 15.390 2.235 22.513 380 1HG ARG 53 1HG ARG 53 13.376 0.685 22.053 381 2HG ARG 53 2HG ARG 53 14.543 -0.634 22.052 382 1HD ARG 53 1HD ARG 53 15.328 0.436 24.331 383 2HD ARG 53 2HD ARG 53 13.726 1.175 24.318 384 HE ARG 53 HE ARG 53 14.265 -1.564 24.945 385 1HH1 ARG 53 1HH2 ARG 53 12.911 -1.683 22.226 386 2HH1 ARG 53 2HH2 ARG 53 11.247 -1.844 22.680 387 1HH2 ARG 53 1HH1 ARG 53 11.837 -0.822 25.979 388 2HH2 ARG 53 2HH1 ARG 53 10.621 -1.321 24.851 Start of MODEL 3 Raw file had 388 H/Q atoms Start of MODEL 3 1 1H ASN 1 2H ASN 1 -5.683 -1.269 2.783 2 2H ASN 1 3H ASN 1 -6.183 -0.009 3.808 3 3H ASN 1 1H ASN 1 -6.679 -0.031 2.183 4 HA ASN 1 HA ASN 1 -4.532 0.431 1.393 5 1HB ASN 1 1HB ASN 1 -4.959 2.095 3.923 6 2HB ASN 1 2HB ASN 1 -4.047 2.585 2.499 7 1HD2 ASN 1 2HD2 ASN 1 -8.113 2.222 1.956 8 2HD2 ASN 1 1HD2 ASN 1 -7.301 1.061 2.890 9 H SER 2 H SER 2 -2.522 -0.297 1.479 10 HA SER 2 HA SER 2 -1.445 -1.890 3.499 11 1HB SER 2 1HB SER 2 0.753 -0.419 2.406 12 2HB SER 2 2HB SER 2 0.130 -1.971 1.813 13 HG SER 2 HG SER 2 -1.508 -0.721 0.715 14 OH TYR 3 OH TYR 3 -0.207 7.905 2.552 15 H TYR 3 H TYR 3 -1.939 1.486 3.552 16 HA TYR 3 HA TYR 3 0.061 2.555 5.107 17 1HB TYR 3 1HB TYR 3 -2.885 2.947 4.907 18 2HB TYR 3 2HB TYR 3 -2.180 3.550 6.400 19 HD1 TYR 3 HD1 TYR 3 -0.911 3.447 2.874 20 HD2 TYR 3 HD2 TYR 3 -1.890 5.873 6.228 21 HE1 TYR 3 HE1 TYR 3 -0.178 5.439 1.650 22 HE2 TYR 3 HE2 TYR 3 -1.161 7.865 5.001 23 HH TYR 3 HH TYR 3 -0.982 8.307 2.151 24 HA PRO 4 HA PRO 4 0.331 0.429 8.935 25 1HB PRO 4 1HB PRO 4 0.069 2.746 10.663 26 2HB PRO 4 2HB PRO 4 1.549 1.890 10.225 27 1HG PRO 4 1HG PRO 4 0.629 4.476 9.275 28 2HG PRO 4 2HG PRO 4 2.155 3.664 8.918 29 1HD PRO 4 2HD PRO 4 -0.040 4.045 7.135 30 2HD PRO 4 1HD PRO 4 1.418 3.077 6.847 31 H GLY 5 H GLY 5 -1.165 -0.622 10.128 32 1HA GLY 5 1HA GLY 5 -3.579 0.809 11.067 33 2HA GLY 5 2HA GLY 5 -3.830 -0.528 9.947 34 H CYS 6 H CYS 6 -4.341 -0.033 12.996 35 HA CYS 6 HA CYS 6 -4.013 -2.774 13.699 36 1HB CYS 6 1HB CYS 6 -2.292 -2.194 15.580 37 2HB CYS 6 2HB CYS 6 -1.758 -2.548 13.960 38 HA PRO 7 HA PRO 7 -7.094 -1.038 16.555 39 1HB PRO 7 1HB PRO 7 -7.071 -3.550 18.030 40 2HB PRO 7 2HB PRO 7 -8.345 -2.923 16.983 41 1HG PRO 7 1HG PRO 7 -6.379 -5.021 16.394 42 2HG PRO 7 2HG PRO 7 -7.779 -4.533 15.439 43 1HD PRO 7 2HD PRO 7 -5.115 -4.114 14.836 44 2HD PRO 7 1HD PRO 7 -6.460 -3.295 14.048 45 H SER 8 H SER 8 -7.316 -1.323 19.106 46 HA SER 8 HA SER 8 -4.689 -0.454 20.067 47 1HB SER 8 1HB SER 8 -6.606 0.950 20.695 48 2HB SER 8 2HB SER 8 -7.445 -0.451 21.388 49 HG SER 8 HG SER 8 -5.693 -0.692 22.829 50 H SER 9 H SER 9 -7.195 -2.355 21.718 51 HA SER 9 HA SER 9 -5.749 -3.647 23.630 52 1HB SER 9 1HB SER 9 -7.309 -5.612 23.329 53 2HB SER 9 2HB SER 9 -8.185 -4.077 23.182 54 HG SER 9 HG SER 9 -8.386 -5.752 21.418 55 OH TYR 10 OH TYR 10 -1.234 -6.256 14.377 56 H TYR 10 H TYR 10 -5.572 -4.364 20.199 57 HA TYR 10 HA TYR 10 -3.769 -6.658 20.738 58 1HB TYR 10 1HB TYR 10 -5.086 -7.324 18.969 59 2HB TYR 10 2HB TYR 10 -5.579 -5.678 18.601 60 HD1 TYR 10 HD2 TYR 10 -3.061 -8.238 18.006 61 HD2 TYR 10 HD1 TYR 10 -4.349 -4.329 17.040 62 HE1 TYR 10 HE2 TYR 10 -1.504 -8.225 16.115 63 HE2 TYR 10 HE1 TYR 10 -2.965 -4.374 15.037 64 HH TYR 10 HH TYR 10 -0.800 -5.401 14.360 65 H ASP 11 H ASP 11 -2.964 -4.042 21.503 66 HA ASP 11 HA ASP 11 -0.977 -3.218 19.471 67 1HB ASP 11 1HB ASP 11 -2.060 -1.360 20.558 68 2HB ASP 11 2HB ASP 11 -1.888 -2.092 22.151 69 H GLY 12 H GLY 12 -0.986 -4.130 22.928 70 1HA GLY 12 1HA GLY 12 1.811 -4.311 23.260 71 2HA GLY 12 2HA GLY 12 0.656 -5.293 24.164 72 OH TYR 13 OH TYR 13 -1.238 -12.339 16.620 73 H TYR 13 H TYR 13 -0.328 -6.175 21.425 74 HA TYR 13 HA TYR 13 0.376 -8.711 21.132 75 1HB TYR 13 1HB TYR 13 -0.844 -7.033 19.511 76 2HB TYR 13 2HB TYR 13 0.712 -6.942 18.694 77 HD1 TYR 13 HD2 TYR 13 -1.881 -9.257 19.899 78 HD2 TYR 13 HD1 TYR 13 1.347 -8.680 17.193 79 HE1 TYR 13 HE2 TYR 13 -2.466 -11.352 18.733 80 HE2 TYR 13 HE1 TYR 13 0.753 -10.702 16.003 81 HH TYR 13 HH TYR 13 -1.546 -12.092 15.744 82 H CYS 14 H CYS 14 2.370 -6.300 19.430 83 HA CYS 14 HA CYS 14 4.521 -8.241 19.105 84 1HB CYS 14 1HB CYS 14 5.281 -5.470 18.674 85 2HB CYS 14 2HB CYS 14 5.191 -6.771 17.517 86 H LEU 15 H LEU 15 6.655 -7.987 19.862 87 HA LEU 15 HA LEU 15 6.921 -6.429 22.407 88 1HB LEU 15 1HB LEU 15 8.460 -8.986 21.930 89 2HB LEU 15 2HB LEU 15 7.908 -8.299 23.452 90 HG LEU 15 HG LEU 15 5.505 -8.745 22.523 91 1HD1 LEU 15 1HD1 LEU 15 7.005 -9.696 20.332 92 2HD1 LEU 15 2HD1 LEU 15 6.453 -11.142 21.166 93 3HD1 LEU 15 3HD1 LEU 15 5.287 -9.947 20.616 94 1HD2 LEU 15 3HD2 LEU 15 7.376 -10.961 23.411 95 2HD2 LEU 15 1HD2 LEU 15 6.440 -9.898 24.457 96 3HD2 LEU 15 2HD2 LEU 15 5.618 -11.072 23.434 97 H ASN 16 H ASN 16 7.675 -6.332 19.434 98 HA ASN 16 HA ASN 16 10.519 -5.493 19.835 99 1HB ASN 16 1HB ASN 16 10.094 -6.274 17.118 100 2HB ASN 16 2HB ASN 16 11.025 -7.142 18.324 101 1HD2 ASN 16 2HD2 ASN 16 8.490 -9.534 19.033 102 2HD2 ASN 16 1HD2 ASN 16 9.900 -8.793 19.632 103 H GLY 17 H GLY 17 10.887 -4.348 17.294 104 1HA GLY 17 1HA GLY 17 9.692 -1.817 17.499 105 2HA GLY 17 2HA GLY 17 10.174 -2.509 15.938 106 H GLY 18 H GLY 18 8.683 -4.392 15.309 107 1HA GLY 18 1HA GLY 18 6.585 -5.182 14.736 108 2HA GLY 18 2HA GLY 18 5.948 -4.397 16.170 109 H VAL 19 H VAL 19 6.648 -4.067 12.813 110 HA VAL 19 HA VAL 19 5.496 -1.436 12.698 111 HB VAL 19 HB VAL 19 6.242 -3.343 10.464 112 1HG1 VAL 19 3HG1 VAL 19 4.879 -0.865 10.507 113 2HG1 VAL 19 1HG1 VAL 19 6.492 -0.532 9.875 114 3HG1 VAL 19 2HG1 VAL 19 5.470 -1.731 9.089 115 1HG2 VAL 19 2HG2 VAL 19 8.123 -2.767 12.084 116 2HG2 VAL 19 3HG2 VAL 19 8.404 -2.243 10.420 117 3HG2 VAL 19 1HG2 VAL 19 7.887 -1.079 11.636 118 H CYS 20 H CYS 20 3.499 -1.673 13.398 119 HA CYS 20 HA CYS 20 1.642 -3.722 12.911 120 1HB CYS 20 1HB CYS 20 0.490 -2.475 14.299 121 2HB CYS 20 2HB CYS 20 1.806 -1.346 14.264 122 H MET 21 H MET 21 0.228 -4.227 11.446 123 HA MET 21 HA MET 21 -0.473 -2.347 9.262 124 1HB MET 21 1HB MET 21 0.255 -5.169 8.497 125 2HB MET 21 2HB MET 21 0.335 -3.712 7.513 126 1HG MET 21 1HG MET 21 2.256 -2.967 8.999 127 2HG MET 21 2HG MET 21 2.231 -4.574 9.688 128 1HE MET 21 1HE MET 21 2.019 -6.594 8.076 129 2HE MET 21 2HE MET 21 3.351 -6.889 6.963 130 3HE MET 21 3HE MET 21 3.676 -6.606 8.672 131 H HIS 22 H HIS 22 -2.102 -3.324 7.820 132 HA HIS 22 HA HIS 22 -3.845 -5.287 9.246 133 1HB HIS 22 1HB HIS 22 -4.757 -2.994 9.516 134 2HB HIS 22 2HB HIS 22 -4.654 -2.728 7.780 135 HD1 HIS 22 HD1 HIS 22 -6.032 -5.736 9.496 136 HD2 HIS 22 HD2 HIS 22 -7.299 -2.769 7.021 137 HE1 HIS 22 HE1 HIS 22 -8.315 -6.336 8.877 138 H ILE 23 H ILE 23 -1.964 -4.914 6.711 139 HA ILE 23 HA ILE 23 -1.882 -5.755 4.537 140 HB ILE 23 HB ILE 23 -3.896 -7.682 5.801 141 1HG1 ILE 23 1HG1 ILE 23 -1.786 -9.135 5.925 142 2HG1 ILE 23 2HG1 ILE 23 -0.869 -7.688 5.536 143 1HG2 ILE 23 3HG2 ILE 23 -2.216 -7.817 3.253 144 2HG2 ILE 23 1HG2 ILE 23 -2.997 -9.228 3.956 145 3HG2 ILE 23 2HG2 ILE 23 -3.970 -7.894 3.357 146 1HD1 ILE 23 1HD1 ILE 23 -2.830 -7.532 7.807 147 2HD1 ILE 23 2HD1 ILE 23 -1.321 -8.394 8.065 148 3HD1 ILE 23 3HD1 ILE 23 -1.292 -6.702 7.595 149 H GLU 24 H GLU 24 -5.220 -6.776 4.986 150 HA GLU 24 HA GLU 24 -6.163 -4.528 3.316 151 1HB GLU 24 1HB GLU 24 -5.371 -6.452 1.811 152 2HB GLU 24 2HB GLU 24 -6.657 -7.429 2.512 153 1HG GLU 24 1HG GLU 24 -8.077 -6.532 0.998 154 2HG GLU 24 2HG GLU 24 -7.864 -4.972 1.785 155 H SER 25 H SER 25 -8.342 -6.828 2.805 156 HA SER 25 HA SER 25 -10.117 -5.824 4.907 157 1HB SER 25 1HB SER 25 -11.089 -6.137 2.686 158 2HB SER 25 2HB SER 25 -10.487 -7.803 2.601 159 HG SER 25 HG SER 25 -12.351 -6.733 4.458 160 H LEU 26 H LEU 26 -8.189 -8.620 4.339 161 HA LEU 26 HA LEU 26 -9.636 -10.435 6.041 162 1HB LEU 26 1HB LEU 26 -6.677 -10.370 5.302 163 2HB LEU 26 2HB LEU 26 -7.525 -11.756 5.975 164 HG LEU 26 HG LEU 26 -8.262 -10.387 3.365 165 1HD1 LEU 26 2HD1 LEU 26 -6.050 -11.551 3.290 166 2HD1 LEU 26 3HD1 LEU 26 -6.841 -13.030 3.825 167 3HD1 LEU 26 1HD1 LEU 26 -7.254 -12.327 2.266 168 1HD2 LEU 26 3HD2 LEU 26 -9.396 -12.650 4.966 169 2HD2 LEU 26 1HD2 LEU 26 -10.221 -11.453 3.975 170 3HD2 LEU 26 2HD2 LEU 26 -9.396 -12.808 3.215 171 H ASP 27 H ASP 27 -8.410 -11.422 7.965 172 HA ASP 27 HA ASP 27 -8.127 -9.284 9.943 173 1HB ASP 27 1HB ASP 27 -9.292 -11.258 10.685 174 2HB ASP 27 2HB ASP 27 -8.089 -12.330 9.984 175 H SER 28 H SER 28 -6.114 -12.091 10.176 176 HA SER 28 HA SER 28 -3.821 -12.164 10.722 177 1HB SER 28 1HB SER 28 -4.218 -12.185 8.083 178 2HB SER 28 2HB SER 28 -3.375 -10.626 8.161 179 HG SER 28 HG SER 28 -2.510 -13.139 9.155 180 OH TYR 29 OH TYR 29 -8.758 -4.376 11.002 181 H TYR 29 H TYR 29 -5.135 -9.513 11.595 182 HA TYR 29 HA TYR 29 -3.468 -7.303 11.143 183 1HB TYR 29 1HB TYR 29 -4.889 -8.326 13.632 184 2HB TYR 29 2HB TYR 29 -3.887 -6.889 13.735 185 HD1 TYR 29 HD2 TYR 29 -4.392 -4.955 12.091 186 HD2 TYR 29 HD1 TYR 29 -7.100 -8.132 12.875 187 HE1 TYR 29 HE2 TYR 29 -6.244 -3.616 11.184 188 HE2 TYR 29 HE1 TYR 29 -8.942 -6.802 11.978 189 HH TYR 29 HH TYR 29 -8.579 -3.453 11.191 190 H THR 30 H THR 30 -1.254 -6.963 11.481 191 HA THR 30 HA THR 30 0.012 -8.413 13.764 192 HB THR 30 HB THR 30 0.037 -10.120 11.915 193 HG1 THR 30 HG1 THR 30 1.944 -9.339 13.355 194 1HG2 THR 30 2HG2 THR 30 0.367 -7.943 10.194 195 2HG2 THR 30 3HG2 THR 30 2.024 -8.512 10.352 196 3HG2 THR 30 1HG2 THR 30 0.774 -9.597 9.751 197 H CYS 31 H CYS 31 2.508 -8.180 13.470 198 HA CYS 31 HA CYS 31 3.100 -5.338 12.730 199 1HB CYS 31 1HB CYS 31 4.817 -6.667 14.735 200 2HB CYS 31 2HB CYS 31 4.133 -5.068 14.754 201 H ASN 32 H ASN 32 4.237 -5.540 10.816 202 HA ASN 32 HA ASN 32 5.708 -7.704 9.886 203 1HB ASN 32 1HB ASN 32 5.426 -5.017 9.126 204 2HB ASN 32 2HB ASN 32 7.157 -5.170 9.423 205 1HD2 ASN 32 2HD2 ASN 32 7.345 -6.346 6.100 206 2HD2 ASN 32 1HD2 ASN 32 7.711 -5.080 7.170 207 H CYS 33 H CYS 33 7.455 -8.763 10.541 208 HA CYS 33 HA CYS 33 8.778 -7.929 12.950 209 1HB CYS 33 1HB CYS 33 8.788 -10.247 11.138 210 2HB CYS 33 2HB CYS 33 10.298 -10.006 11.970 211 H VAL 34 H VAL 34 11.478 -8.789 12.545 212 HA VAL 34 HA VAL 34 12.433 -6.801 10.551 213 HB VAL 34 HB VAL 34 13.999 -6.361 12.892 214 1HG1 VAL 34 3HG1 VAL 34 11.866 -4.667 11.557 215 2HG1 VAL 34 1HG1 VAL 34 13.120 -4.064 12.639 216 3HG1 VAL 34 2HG1 VAL 34 13.558 -4.748 11.077 217 1HG2 VAL 34 2HG2 VAL 34 12.018 -7.303 14.130 218 2HG2 VAL 34 3HG2 VAL 34 12.361 -5.622 14.520 219 3HG2 VAL 34 1HG2 VAL 34 11.038 -6.018 13.431 220 H ILE 35 H ILE 35 14.945 -6.570 11.193 221 HA ILE 35 HA ILE 35 16.031 -9.101 10.264 222 HB ILE 35 HB ILE 35 17.081 -6.289 10.771 223 1HG1 ILE 35 1HG1 ILE 35 15.825 -6.521 8.706 224 2HG1 ILE 35 2HG1 ILE 35 17.523 -6.304 8.326 225 1HG2 ILE 35 1HG2 ILE 35 18.537 -8.865 10.386 226 2HG2 ILE 35 2HG2 ILE 35 19.156 -7.473 9.503 227 3HG2 ILE 35 3HG2 ILE 35 19.020 -7.418 11.256 228 1HD1 ILE 35 3HD1 ILE 35 17.427 -9.021 8.395 229 2HD1 ILE 35 1HD1 ILE 35 15.773 -8.675 7.914 230 3HD1 ILE 35 2HD1 ILE 35 17.115 -8.089 6.940 231 H GLY 36 H GLY 36 16.097 -10.494 11.894 232 1HA GLY 36 1HA GLY 36 17.969 -11.002 13.650 233 2HA GLY 36 2HA GLY 36 17.282 -9.599 14.450 234 OH TYR 37 OH TYR 37 13.832 -5.961 17.487 235 H TYR 37 H TYR 37 14.593 -10.401 13.456 236 HA TYR 37 HA TYR 37 14.238 -12.863 14.929 237 1HB TYR 37 1HB TYR 37 12.675 -11.885 16.529 238 2HB TYR 37 2HB TYR 37 14.413 -11.652 16.707 239 HD1 TYR 37 HD2 TYR 37 13.988 -9.187 14.349 240 HD2 TYR 37 HD1 TYR 37 12.524 -10.203 18.153 241 HE1 TYR 37 HE2 TYR 37 14.377 -6.934 15.047 242 HE2 TYR 37 HE1 TYR 37 13.021 -8.040 18.991 243 HH TYR 37 HH TYR 37 13.340 -5.849 18.305 244 H SER 38 H SER 38 12.335 -13.860 14.958 245 HA SER 38 HA SER 38 10.140 -12.787 13.315 246 1HB SER 38 1HB SER 38 11.801 -15.178 12.386 247 2HB SER 38 2HB SER 38 10.259 -14.694 11.655 248 HG SER 38 HG SER 38 11.266 -13.132 10.696 249 H GLY 39 H GLY 39 8.840 -15.116 12.657 250 1HA GLY 39 1HA GLY 39 7.801 -17.086 13.610 251 2HA GLY 39 2HA GLY 39 8.483 -16.648 15.183 252 H ASP 40 H ASP 40 5.871 -16.137 12.943 253 HA ASP 40 HA ASP 40 3.806 -15.075 13.161 254 1HB ASP 40 1HB ASP 40 4.436 -15.116 16.170 255 2HB ASP 40 2HB ASP 40 2.854 -14.911 15.433 256 NH1 ARG 41 NH1 ARG 41 1.803 -14.587 17.521 257 NH2 ARG 41 NH2 ARG 41 2.865 -14.998 19.504 258 H ARG 41 H ARG 41 5.587 -13.570 15.873 259 HA ARG 41 HA ARG 41 5.951 -11.192 14.205 260 1HB ARG 41 1HB ARG 41 4.910 -9.658 15.883 261 2HB ARG 41 2HB ARG 41 3.738 -10.744 15.167 262 1HG ARG 41 1HG ARG 41 5.076 -11.478 17.766 263 2HG ARG 41 2HG ARG 41 3.722 -10.352 17.743 264 1HD ARG 41 1HD ARG 41 2.211 -11.951 17.313 265 2HD ARG 41 2HD ARG 41 3.246 -12.768 16.148 266 HE ARG 41 HE ARG 41 4.403 -13.264 18.652 267 1HH1 ARG 41 1HH1 ARG 41 1.731 -14.043 16.684 268 2HH1 ARG 41 2HH1 ARG 41 1.163 -15.337 17.685 269 1HH2 ARG 41 1HH2 ARG 41 3.588 -14.761 20.153 270 2HH2 ARG 41 2HH2 ARG 41 2.244 -15.755 19.702 271 H CYS 42 H CYS 42 7.994 -12.622 14.799 272 HA CYS 42 HA CYS 42 10.139 -12.588 15.794 273 1HB CYS 42 1HB CYS 42 9.925 -10.066 17.127 274 2HB CYS 42 2HB CYS 42 10.965 -10.571 15.816 275 H GLN 43 H GLN 43 7.551 -13.260 17.373 276 HA GLN 43 HA GLN 43 7.927 -12.624 20.089 277 1HB GLN 43 1HB GLN 43 6.015 -14.010 19.742 278 2HB GLN 43 2HB GLN 43 6.859 -15.043 18.598 279 1HG GLN 43 1HG GLN 43 8.006 -16.219 20.349 280 2HG GLN 43 2HG GLN 43 7.549 -15.012 21.551 281 1HE2 GLN 43 2HE2 GLN 43 4.911 -17.934 20.448 282 2HE2 GLN 43 1HE2 GLN 43 6.360 -17.710 19.592 283 H THR 44 H THR 44 9.648 -14.518 17.855 284 HA THR 44 HA THR 44 11.452 -15.653 19.910 285 HB THR 44 HB THR 44 11.841 -16.097 16.924 286 HG1 THR 44 HG1 THR 44 9.517 -16.339 18.259 287 1HG2 THR 44 1HG2 THR 44 13.042 -17.317 18.960 288 2HG2 THR 44 2HG2 THR 44 11.502 -18.144 19.159 289 3HG2 THR 44 3HG2 THR 44 12.408 -18.323 17.661 290 NH1 ARG 45 NH1 ARG 45 13.751 -10.564 24.370 291 NH2 ARG 45 NH2 ARG 45 12.856 -8.460 24.346 292 H ARG 45 H ARG 45 12.313 -13.635 20.500 293 HA ARG 45 HA ARG 45 13.768 -12.057 18.485 294 1HB ARG 45 1HB ARG 45 14.137 -11.599 21.440 295 2HB ARG 45 2HB ARG 45 14.007 -10.409 20.157 296 1HG ARG 45 1HG ARG 45 11.565 -10.989 19.969 297 2HG ARG 45 2HG ARG 45 11.740 -12.007 21.385 298 1HD ARG 45 1HD ARG 45 11.643 -9.060 21.139 299 2HD ARG 45 2HD ARG 45 11.192 -10.081 22.503 300 HE ARG 45 HE ARG 45 14.036 -9.382 21.893 301 1HH1 ARG 45 1HH1 ARG 45 14.063 -11.368 23.861 302 2HH1 ARG 45 2HH1 ARG 45 13.793 -10.556 25.367 303 1HH2 ARG 45 1HH2 ARG 45 12.497 -7.690 23.820 304 2HH2 ARG 45 2HH2 ARG 45 12.884 -8.416 25.346 305 H ASP 46 H ASP 46 15.926 -12.169 18.121 306 HA ASP 46 HA ASP 46 17.228 -14.395 19.407 307 1HB ASP 46 1HB ASP 46 17.769 -12.682 17.117 308 2HB ASP 46 2HB ASP 46 19.237 -12.880 18.070 309 H LEU 47 H LEU 47 16.375 -12.677 21.234 310 HA LEU 47 HA LEU 47 16.860 -11.471 23.121 311 1HB LEU 47 1HB LEU 47 19.211 -13.328 22.699 312 2HB LEU 47 2HB LEU 47 19.213 -12.223 24.069 313 HG LEU 47 HG LEU 47 16.736 -13.825 23.560 314 1HD1 LEU 47 2HD1 LEU 47 19.281 -14.887 24.828 315 2HD1 LEU 47 3HD1 LEU 47 17.712 -15.680 24.919 316 3HD1 LEU 47 1HD1 LEU 47 18.515 -15.492 23.363 317 1HD2 LEU 47 2HD2 LEU 47 17.260 -11.994 25.388 318 2HD2 LEU 47 3HD2 LEU 47 16.373 -13.448 25.837 319 3HD2 LEU 47 1HD2 LEU 47 18.093 -13.322 26.194 320 NH1 ARG 48 NH2 ARG 48 14.619 -6.596 26.110 321 NH2 ARG 48 NH1 ARG 48 14.648 -7.714 28.103 322 H ARG 48 H ARG 48 16.975 -9.575 23.074 323 HA ARG 48 HA ARG 48 17.557 -7.415 22.464 324 1HB ARG 48 1HB ARG 48 19.266 -8.613 24.575 325 2HB ARG 48 2HB ARG 48 19.724 -7.006 24.034 326 1HG ARG 48 1HG ARG 48 18.153 -6.805 25.905 327 2HG ARG 48 2HG ARG 48 17.380 -6.223 24.439 328 1HD ARG 48 1HD ARG 48 15.805 -7.860 24.490 329 2HD ARG 48 2HD ARG 48 16.997 -9.104 24.868 330 HE ARG 48 HE ARG 48 16.763 -8.596 27.224 331 1HH1 ARG 48 1HH2 ARG 48 15.034 -6.427 25.215 332 2HH1 ARG 48 2HH2 ARG 48 13.793 -6.099 26.378 333 1HH2 ARG 48 1HH1 ARG 48 15.084 -8.384 28.705 334 2HH2 ARG 48 2HH1 ARG 48 13.827 -7.231 28.406 335 CH2 TRP 49 CH2 TRP 49 20.621 -7.482 13.849 336 H TRP 49 H TRP 49 19.315 -9.432 20.651 337 HA TRP 49 HA TRP 49 21.792 -8.071 20.390 338 1HB TRP 49 1HB TRP 49 22.108 -9.266 18.378 339 2HB TRP 49 2HB TRP 49 20.959 -10.276 19.222 340 HD1 TRP 49 HD1 TRP 49 18.541 -10.702 17.954 341 HE1 TRP 49 HE1 TRP 49 18.325 -10.630 15.467 342 HE3 TRP 49 HE3 TRP 49 21.706 -7.025 16.981 343 HZ2 TRP 49 HZ2 TRP 49 19.243 -8.986 13.243 344 HZ3 TRP 49 HZ3 TRP 49 22.010 -6.123 14.726 345 HH2 TRP 49 HH2 TRP 49 20.716 -7.059 12.860 346 CH2 TRP 50 CH2 TRP 50 14.349 -5.656 21.680 347 H TRP 50 H TRP 50 19.109 -7.703 18.193 348 HA TRP 50 HA TRP 50 19.628 -5.409 16.855 349 1HB TRP 50 1HB TRP 50 17.055 -5.065 17.187 350 2HB TRP 50 2HB TRP 50 17.587 -6.635 16.576 351 HD1 TRP 50 HD1 TRP 50 18.026 -8.544 18.747 352 HE1 TRP 50 HE1 TRP 50 16.489 -9.004 20.594 353 HE3 TRP 50 HE3 TRP 50 15.665 -4.134 18.948 354 HZ2 TRP 50 HZ2 TRP 50 14.751 -7.689 22.256 355 HZ3 TRP 50 HZ3 TRP 50 14.169 -3.682 20.862 356 HH2 TRP 50 HH2 TRP 50 13.709 -5.459 22.528 357 H GLU 51 H GLU 51 18.761 -5.833 20.120 358 HA GLU 51 HA GLU 51 18.369 -3.000 20.725 359 1HB GLU 51 1HB GLU 51 17.460 -5.453 21.574 360 2HB GLU 51 2HB GLU 51 18.617 -5.060 22.848 361 1HG GLU 51 1HG GLU 51 16.450 -3.123 21.951 362 2HG GLU 51 2HG GLU 51 16.237 -4.246 23.286 363 H LEU 52 H LEU 52 19.591 -1.901 22.365 364 HA LEU 52 HA LEU 52 22.300 -3.016 22.908 365 1HB LEU 52 1HB LEU 52 21.920 -1.129 20.966 366 2HB LEU 52 2HB LEU 52 22.043 -0.068 22.362 367 HG LEU 52 HG LEU 52 24.177 -1.780 22.775 368 1HD1 LEU 52 1HD1 LEU 52 23.705 -2.752 20.481 369 2HD1 LEU 52 2HD1 LEU 52 24.045 -1.160 19.806 370 3HD1 LEU 52 3HD1 LEU 52 25.313 -2.049 20.647 371 1HD2 LEU 52 3HD2 LEU 52 23.942 0.886 21.373 372 2HD2 LEU 52 1HD2 LEU 52 24.413 0.573 23.042 373 3HD2 LEU 52 2HD2 LEU 52 25.504 0.153 21.726 374 NH1 ARG 53 NH2 ARG 53 20.227 5.278 26.130 375 NH2 ARG 53 NH1 ARG 53 18.058 5.991 26.228 376 H ARG 53 H ARG 53 19.520 -1.547 24.028 377 HA ARG 53 HA ARG 53 20.898 -0.375 26.403 378 1HB ARG 53 1HB ARG 53 18.471 0.257 24.872 379 2HB ARG 53 2HB ARG 53 18.123 0.119 26.591 380 1HG ARG 53 1HG ARG 53 19.776 1.777 27.150 381 2HG ARG 53 2HG ARG 53 20.449 1.748 25.525 382 1HD ARG 53 1HD ARG 53 18.859 3.167 24.722 383 2HD ARG 53 2HD ARG 53 17.563 2.363 25.606 384 HE ARG 53 HE ARG 53 18.326 3.667 27.627 385 1HH1 ARG 53 1HH2 ARG 53 20.891 4.536 26.233 386 2HH1 ARG 53 2HH2 ARG 53 20.535 6.190 25.861 387 1HH2 ARG 53 1HH1 ARG 53 17.096 5.785 26.405 388 2HH2 ARG 53 2HH1 ARG 53 18.329 6.915 25.959 Start of MODEL 4 Raw file had 388 H/Q atoms Start of MODEL 4 1 1H ASN 1 1H ASN 1 -2.109 -3.143 -0.361 2 2H ASN 1 2H ASN 1 -2.373 -4.521 -1.316 3 3H ASN 1 3H ASN 1 -3.290 -3.117 -1.581 4 HA ASN 1 HA ASN 1 -4.626 -3.436 0.196 5 1HB ASN 1 1HB ASN 1 -3.719 -6.321 -0.119 6 2HB ASN 1 2HB ASN 1 -5.350 -5.726 0.173 7 1HD2 ASN 1 2HD2 ASN 1 -5.681 -4.557 -3.280 8 2HD2 ASN 1 1HD2 ASN 1 -5.936 -3.959 -1.711 9 H SER 2 H SER 2 -1.696 -3.167 0.942 10 HA SER 2 HA SER 2 -1.958 -4.378 3.668 11 1HB SER 2 1HB SER 2 -0.151 -5.364 2.008 12 2HB SER 2 2HB SER 2 0.738 -3.873 2.368 13 HG SER 2 HG SER 2 0.904 -4.441 4.424 14 OH TYR 3 OH TYR 3 -2.525 3.373 -1.278 15 H TYR 3 H TYR 3 -2.850 -1.809 3.038 16 HA TYR 3 HA TYR 3 -0.914 0.223 3.521 17 1HB TYR 3 1HB TYR 3 -3.897 -0.043 3.606 18 2HB TYR 3 2HB TYR 3 -3.225 1.335 4.465 19 HD1 TYR 3 HD1 TYR 3 -2.960 -0.415 1.162 20 HD2 TYR 3 HD2 TYR 3 -2.762 3.288 3.244 21 HE1 TYR 3 HE1 TYR 3 -2.770 0.776 -0.974 22 HE2 TYR 3 HE2 TYR 3 -2.574 4.476 1.108 23 HH TYR 3 HH TYR 3 -2.094 2.784 -1.903 24 HA PRO 4 HA PRO 4 -0.172 -0.054 7.876 25 1HB PRO 4 1HB PRO 4 -0.581 2.736 8.500 26 2HB PRO 4 2HB PRO 4 0.961 1.927 8.220 27 1HG PRO 4 1HG PRO 4 -0.463 3.767 6.461 28 2HG PRO 4 2HG PRO 4 1.153 3.088 6.259 29 1HD PRO 4 2HD PRO 4 -1.182 2.395 4.778 30 2HD PRO 4 1HD PRO 4 0.397 1.593 4.725 31 H GLY 5 H GLY 5 -1.392 -0.314 9.774 32 1HA GLY 5 1HA GLY 5 -3.691 1.181 10.476 33 2HA GLY 5 2HA GLY 5 -4.243 -0.176 9.510 34 H CYS 6 H CYS 6 -4.718 0.441 12.349 35 HA CYS 6 HA CYS 6 -4.501 -2.173 13.431 36 1HB CYS 6 1HB CYS 6 -2.781 -1.519 15.231 37 2HB CYS 6 2HB CYS 6 -2.175 -1.948 13.658 38 HA PRO 7 HA PRO 7 -7.521 0.193 15.887 39 1HB PRO 7 1HB PRO 7 -7.269 -2.140 17.735 40 2HB PRO 7 2HB PRO 7 -8.733 -1.448 17.021 41 1HG PRO 7 1HG PRO 7 -7.505 -3.818 16.191 42 2HG PRO 7 2HG PRO 7 -8.627 -2.877 15.209 43 1HD PRO 7 2HD PRO 7 -5.770 -3.241 14.838 44 2HD PRO 7 1HD PRO 7 -6.919 -2.424 13.768 45 H SER 8 H SER 8 -7.635 0.906 18.162 46 HA SER 8 HA SER 8 -5.276 2.141 18.931 47 1HB SER 8 1HB SER 8 -7.018 1.374 21.222 48 2HB SER 8 2HB SER 8 -6.613 2.997 20.625 49 HG SER 8 HG SER 8 -8.060 2.707 18.941 50 H SER 9 H SER 9 -5.919 -1.142 19.105 51 HA SER 9 HA SER 9 -4.168 -1.596 21.438 52 1HB SER 9 1HB SER 9 -5.453 -3.649 19.569 53 2HB SER 9 2HB SER 9 -4.866 -3.931 21.221 54 HG SER 9 HG SER 9 -6.627 -1.815 20.827 55 OH TYR 10 OH TYR 10 -5.127 -8.519 16.368 56 H TYR 10 H TYR 10 -3.582 -4.209 19.771 57 HA TYR 10 HA TYR 10 -1.508 -4.998 18.960 58 1HB TYR 10 1HB TYR 10 -2.624 -2.956 17.025 59 2HB TYR 10 2HB TYR 10 -1.142 -3.839 16.633 60 HD1 TYR 10 HD2 TYR 10 -1.222 -6.367 17.034 61 HD2 TYR 10 HD1 TYR 10 -4.701 -3.995 16.666 62 HE1 TYR 10 HE2 TYR 10 -2.510 -8.409 16.790 63 HE2 TYR 10 HE1 TYR 10 -6.053 -6.044 16.356 64 HH TYR 10 HH TYR 10 -5.808 -8.528 17.044 65 H ASP 11 H ASP 11 -0.921 -3.388 20.970 66 HA ASP 11 HA ASP 11 1.509 -1.974 19.979 67 1HB ASP 11 1HB ASP 11 -0.311 -0.369 20.781 68 2HB ASP 11 2HB ASP 11 -0.208 -1.132 22.366 69 H GLY 12 H GLY 12 0.296 -4.505 21.594 70 1HA GLY 12 1HA GLY 12 2.815 -4.923 23.047 71 2HA GLY 12 2HA GLY 12 1.378 -4.839 24.058 72 OH TYR 13 OH TYR 13 1.508 -11.339 15.710 73 H TYR 13 H TYR 13 0.400 -6.168 21.135 74 HA TYR 13 HA TYR 13 -0.019 -8.726 22.336 75 1HB TYR 13 1HB TYR 13 -1.348 -8.955 20.486 76 2HB TYR 13 2HB TYR 13 -0.711 -7.456 19.836 77 HD1 TYR 13 HD2 TYR 13 0.617 -11.048 20.139 78 HD2 TYR 13 HD1 TYR 13 0.047 -7.609 17.734 79 HE1 TYR 13 HE2 TYR 13 1.445 -12.256 18.163 80 HE2 TYR 13 HE1 TYR 13 0.587 -8.871 15.767 81 HH TYR 13 HH TYR 13 2.022 -12.091 16.006 82 H CYS 14 H CYS 14 2.495 -7.507 20.200 83 HA CYS 14 HA CYS 14 3.877 -10.101 20.241 84 1HB CYS 14 1HB CYS 14 5.640 -8.253 19.192 85 2HB CYS 14 2HB CYS 14 4.505 -9.191 18.260 86 H LEU 15 H LEU 15 6.241 -10.084 20.766 87 HA LEU 15 HA LEU 15 6.645 -8.752 23.404 88 1HB LEU 15 1HB LEU 15 8.554 -10.792 22.244 89 2HB LEU 15 2HB LEU 15 8.088 -10.560 23.921 90 HG LEU 15 HG LEU 15 5.685 -11.301 22.838 91 1HD1 LEU 15 1HD1 LEU 15 6.864 -11.698 20.620 92 2HD1 LEU 15 2HD1 LEU 15 7.808 -12.948 21.417 93 3HD1 LEU 15 3HD1 LEU 15 6.063 -13.122 21.267 94 1HD2 LEU 15 3HD2 LEU 15 7.928 -13.044 23.901 95 2HD2 LEU 15 1HD2 LEU 15 6.657 -12.273 24.843 96 3HD2 LEU 15 2HD2 LEU 15 6.258 -13.581 23.735 97 H ASN 16 H ASN 16 7.258 -8.398 20.259 98 HA ASN 16 HA ASN 16 9.847 -6.937 20.619 99 1HB ASN 16 1HB ASN 16 9.165 -7.529 17.875 100 2HB ASN 16 2HB ASN 16 10.455 -8.261 18.840 101 1HD2 ASN 16 2HD2 ASN 16 8.590 -11.181 19.670 102 2HD2 ASN 16 1HD2 ASN 16 9.948 -10.230 20.055 103 H GLY 17 H GLY 17 7.086 -7.033 18.373 104 1HA GLY 17 1HA GLY 17 5.810 -5.354 17.372 105 2HA GLY 17 2HA GLY 17 5.931 -4.532 18.917 106 H GLY 18 H GLY 18 6.385 -4.066 15.743 107 1HA GLY 18 1HA GLY 18 8.282 -1.851 16.248 108 2HA GLY 18 2HA GLY 18 8.706 -3.016 15.004 109 H VAL 19 H VAL 19 6.032 -3.488 14.100 110 HA VAL 19 HA VAL 19 5.240 -0.868 13.048 111 HB VAL 19 HB VAL 19 5.115 -3.249 11.265 112 1HG1 VAL 19 3HG1 VAL 19 4.269 -1.065 10.516 113 2HG1 VAL 19 1HG1 VAL 19 5.865 -0.354 10.795 114 3HG1 VAL 19 2HG1 VAL 19 5.645 -1.571 9.543 115 1HG2 VAL 19 1HG2 VAL 19 7.673 -1.804 11.991 116 2HG2 VAL 19 2HG2 VAL 19 7.340 -3.525 12.178 117 3HG2 VAL 19 3HG2 VAL 19 7.508 -2.826 10.566 118 H CYS 20 H CYS 20 3.100 -0.994 11.896 119 HA CYS 20 HA CYS 20 1.363 -3.136 13.007 120 1HB CYS 20 1HB CYS 20 0.147 -1.702 14.235 121 2HB CYS 20 2HB CYS 20 1.462 -0.577 14.026 122 H MET 21 H MET 21 -0.384 -3.725 11.715 123 HA MET 21 HA MET 21 -0.885 -2.148 9.258 124 1HB MET 21 1HB MET 21 -0.413 -5.076 8.846 125 2HB MET 21 2HB MET 21 -0.084 -3.744 7.746 126 1HG MET 21 1HG MET 21 1.900 -3.122 9.097 127 2HG MET 21 2HG MET 21 1.545 -4.421 10.214 128 1HE MET 21 2HE MET 21 1.986 -3.598 6.602 129 2HE MET 21 3HE MET 21 2.898 -4.932 5.897 130 3HE MET 21 1HE MET 21 1.191 -5.140 6.290 131 H HIS 22 H HIS 22 -2.480 -3.220 7.830 132 HA HIS 22 HA HIS 22 -4.459 -4.916 9.279 133 1HB HIS 22 1HB HIS 22 -6.257 -3.473 8.756 134 2HB HIS 22 2HB HIS 22 -4.989 -2.327 9.175 135 HD1 HIS 22 HD1 HIS 22 -6.669 -3.736 6.186 136 HD2 HIS 22 HD2 HIS 22 -4.154 -0.673 7.101 137 HE1 HIS 22 HE1 HIS 22 -6.546 -2.369 4.167 138 H ILE 23 H ILE 23 -5.108 -6.585 8.008 139 HA ILE 23 HA ILE 23 -4.481 -6.397 5.087 140 HB ILE 23 HB ILE 23 -4.987 -8.906 6.748 141 1HG1 ILE 23 1HG1 ILE 23 -2.329 -8.942 6.101 142 2HG1 ILE 23 2HG1 ILE 23 -2.576 -7.224 6.384 143 1HG2 ILE 23 1HG2 ILE 23 -5.251 -8.903 4.159 144 2HG2 ILE 23 2HG2 ILE 23 -3.524 -8.579 4.090 145 3HG2 ILE 23 3HG2 ILE 23 -4.112 -10.073 4.814 146 1HD1 ILE 23 1HD1 ILE 23 -3.351 -9.448 8.303 147 2HD1 ILE 23 2HD1 ILE 23 -1.950 -8.401 8.467 148 3HD1 ILE 23 3HD1 ILE 23 -3.569 -7.724 8.589 149 H GLU 24 H GLU 24 -6.728 -8.478 6.888 150 HA GLU 24 HA GLU 24 -8.706 -8.187 4.774 151 1HB GLU 24 1HB GLU 24 -8.521 -9.612 7.421 152 2HB GLU 24 2HB GLU 24 -10.121 -9.382 6.722 153 1HG GLU 24 1HG GLU 24 -7.932 -10.401 4.941 154 2HG GLU 24 2HG GLU 24 -8.659 -11.518 6.093 155 H SER 25 H SER 25 -11.095 -7.850 5.719 156 HA SER 25 HA SER 25 -11.340 -5.061 6.189 157 1HB SER 25 1HB SER 25 -13.760 -5.783 6.901 158 2HB SER 25 2HB SER 25 -13.253 -6.257 5.269 159 HG SER 25 HG SER 25 -12.469 -8.219 6.230 160 H LEU 26 H LEU 26 -13.193 -6.846 8.427 161 HA LEU 26 HA LEU 26 -12.173 -5.246 10.642 162 1HB LEU 26 1HB LEU 26 -14.438 -7.067 10.081 163 2HB LEU 26 2HB LEU 26 -13.825 -7.224 11.722 164 HG LEU 26 HG LEU 26 -14.014 -4.725 11.969 165 1HD1 LEU 26 3HD1 LEU 26 -14.332 -4.879 9.154 166 2HD1 LEU 26 1HD1 LEU 26 -15.890 -4.363 9.788 167 3HD1 LEU 26 2HD1 LEU 26 -14.439 -3.435 10.154 168 1HD2 LEU 26 2HD2 LEU 26 -16.520 -6.254 11.191 169 2HD2 LEU 26 3HD2 LEU 26 -15.813 -6.153 12.800 170 3HD2 LEU 26 1HD2 LEU 26 -16.523 -4.722 12.060 171 H ASP 27 H ASP 27 -11.962 -6.564 12.803 172 HA ASP 27 HA ASP 27 -10.387 -7.783 14.037 173 1HB ASP 27 1HB ASP 27 -11.299 -9.856 11.992 174 2HB ASP 27 2HB ASP 27 -10.528 -10.229 13.532 175 H SER 28 H SER 28 -8.882 -10.080 12.970 176 HA SER 28 HA SER 28 -6.796 -10.511 12.034 177 1HB SER 28 1HB SER 28 -8.039 -9.763 9.904 178 2HB SER 28 2HB SER 28 -7.339 -8.154 10.154 179 HG SER 28 HG SER 28 -6.123 -9.968 8.940 180 OH TYR 29 OH TYR 29 -9.369 -2.568 11.045 181 H TYR 29 H TYR 29 -5.810 -7.610 10.772 182 HA TYR 29 HA TYR 29 -4.226 -6.037 11.462 183 1HB TYR 29 1HB TYR 29 -5.726 -6.417 14.087 184 2HB TYR 29 2HB TYR 29 -4.563 -5.137 13.799 185 HD1 TYR 29 HD2 TYR 29 -5.031 -3.737 11.580 186 HD2 TYR 29 HD1 TYR 29 -7.971 -5.948 13.711 187 HE1 TYR 29 HE2 TYR 29 -6.785 -2.326 10.628 188 HE2 TYR 29 HE1 TYR 29 -9.735 -4.551 12.730 189 HH TYR 29 HH TYR 29 -9.956 -2.287 11.751 190 H THR 30 H THR 30 -2.118 -6.122 12.045 191 HA THR 30 HA THR 30 -1.289 -7.797 14.322 192 HB THR 30 HB THR 30 -1.410 -9.579 12.638 193 HG1 THR 30 HG1 THR 30 0.535 -10.022 13.313 194 1HG2 THR 30 2HG2 THR 30 -1.407 -7.879 10.656 195 2HG2 THR 30 3HG2 THR 30 0.337 -7.778 10.872 196 3HG2 THR 30 1HG2 THR 30 -0.409 -9.307 10.410 197 H CYS 31 H CYS 31 0.904 -7.593 14.829 198 HA CYS 31 HA CYS 31 2.058 -5.056 13.900 199 1HB CYS 31 1HB CYS 31 3.526 -5.311 15.882 200 2HB CYS 31 2HB CYS 31 1.841 -5.407 16.322 201 H ASN 32 H ASN 32 3.623 -5.121 12.356 202 HA ASN 32 HA ASN 32 4.787 -7.657 11.593 203 1HB ASN 32 1HB ASN 32 4.529 -5.223 10.337 204 2HB ASN 32 2HB ASN 32 6.247 -5.211 10.748 205 1HD2 ASN 32 2HD2 ASN 32 5.486 -7.057 7.478 206 2HD2 ASN 32 1HD2 ASN 32 4.914 -5.572 8.065 207 H CYS 33 H CYS 33 6.719 -8.503 11.989 208 HA CYS 33 HA CYS 33 7.946 -7.995 14.477 209 1HB CYS 33 1HB CYS 33 8.455 -9.673 12.081 210 2HB CYS 33 2HB CYS 33 9.803 -9.473 13.164 211 H VAL 34 H VAL 34 10.796 -8.223 13.885 212 HA VAL 34 HA VAL 34 11.286 -5.536 12.677 213 HB VAL 34 HB VAL 34 13.003 -5.794 14.937 214 1HG1 VAL 34 2HG1 VAL 34 12.239 -3.723 13.825 215 2HG1 VAL 34 3HG1 VAL 34 10.616 -4.032 14.411 216 3HG1 VAL 34 1HG1 VAL 34 11.905 -3.690 15.555 217 1HG2 VAL 34 2HG2 VAL 34 11.286 -7.361 15.833 218 2HG2 VAL 34 3HG2 VAL 34 11.353 -5.864 16.754 219 3HG2 VAL 34 1HG2 VAL 34 10.058 -6.120 15.587 220 H ILE 35 H ILE 35 13.774 -5.096 13.257 221 HA ILE 35 HA ILE 35 15.191 -6.747 11.332 222 HB ILE 35 HB ILE 35 15.747 -4.281 13.019 223 1HG1 ILE 35 1HG1 ILE 35 14.286 -3.906 11.112 224 2HG1 ILE 35 2HG1 ILE 35 15.832 -3.122 10.837 225 1HG2 ILE 35 1HG2 ILE 35 17.641 -6.018 11.539 226 2HG2 ILE 35 2HG2 ILE 35 17.793 -4.301 11.201 227 3HG2 ILE 35 3HG2 ILE 35 17.939 -4.886 12.854 228 1HD1 ILE 35 3HD1 ILE 35 16.296 -5.571 9.683 229 2HD1 ILE 35 1HD1 ILE 35 14.575 -5.375 9.382 230 3HD1 ILE 35 2HD1 ILE 35 15.714 -4.165 8.807 231 H GLY 36 H GLY 36 15.288 -8.736 12.544 232 1HA GLY 36 1HA GLY 36 17.558 -9.591 13.620 233 2HA GLY 36 2HA GLY 36 16.962 -8.661 14.988 234 OH TYR 37 OH TYR 37 13.253 -6.637 19.361 235 H TYR 37 H TYR 37 14.184 -9.395 14.025 236 HA TYR 37 HA TYR 37 14.284 -12.231 14.627 237 1HB TYR 37 1HB TYR 37 12.721 -12.022 16.517 238 2HB TYR 37 2HB TYR 37 14.425 -11.620 16.704 239 HD1 TYR 37 HD2 TYR 37 13.618 -8.612 15.340 240 HD2 TYR 37 HD1 TYR 37 12.459 -11.003 18.595 241 HE1 TYR 37 HE2 TYR 37 13.823 -6.705 16.764 242 HE2 TYR 37 HE1 TYR 37 12.861 -9.186 20.135 243 HH TYR 37 HH TYR 37 12.778 -6.851 20.166 244 H SER 38 H SER 38 12.556 -13.461 14.399 245 HA SER 38 HA SER 38 10.001 -12.425 13.522 246 1HB SER 38 1HB SER 38 11.442 -11.891 11.508 247 2HB SER 38 2HB SER 38 11.762 -13.629 11.339 248 HG SER 38 HG SER 38 9.251 -13.573 11.679 249 H GLY 39 H GLY 39 10.356 -14.825 11.447 250 1HA GLY 39 1HA GLY 39 10.247 -17.223 11.597 251 2HA GLY 39 2HA GLY 39 10.110 -17.086 13.349 252 H ASP 40 H ASP 40 8.076 -15.332 13.628 253 HA ASP 40 HA ASP 40 5.769 -15.959 11.988 254 1HB ASP 40 1HB ASP 40 6.396 -17.959 13.762 255 2HB ASP 40 2HB ASP 40 5.394 -16.942 14.792 256 NH1 ARG 41 NH1 ARG 41 3.219 -16.807 19.291 257 NH2 ARG 41 NH2 ARG 41 2.470 -15.356 20.894 258 H ARG 41 H ARG 41 7.150 -14.815 14.959 259 HA ARG 41 HA ARG 41 5.691 -12.323 14.828 260 1HB ARG 41 1HB ARG 41 3.863 -13.098 16.023 261 2HB ARG 41 2HB ARG 41 4.659 -14.616 16.377 262 1HG ARG 41 1HG ARG 41 5.824 -13.523 18.294 263 2HG ARG 41 2HG ARG 41 4.924 -12.040 17.948 264 1HD ARG 41 1HD ARG 41 3.324 -12.864 19.308 265 2HD ARG 41 2HD ARG 41 2.954 -13.989 18.000 266 HE ARG 41 HE ARG 41 5.096 -14.868 19.805 267 1HH1 ARG 41 1HH1 ARG 41 3.848 -16.997 18.536 268 2HH1 ARG 41 2HH1 ARG 41 2.549 -17.493 19.568 269 1HH2 ARG 41 1HH2 ARG 41 2.538 -14.463 21.340 270 2HH2 ARG 41 2HH2 ARG 41 1.780 -16.014 21.194 271 H CYS 42 H CYS 42 8.352 -13.469 14.853 272 HA CYS 42 HA CYS 42 10.480 -13.010 15.706 273 1HB CYS 42 1HB CYS 42 10.058 -10.975 17.576 274 2HB CYS 42 2HB CYS 42 10.759 -10.861 15.985 275 H GLN 43 H GLN 43 8.268 -14.563 17.150 276 HA GLN 43 HA GLN 43 8.964 -14.477 19.910 277 1HB GLN 43 1HB GLN 43 8.521 -17.165 19.509 278 2HB GLN 43 2HB GLN 43 7.183 -16.020 19.572 279 1HG GLN 43 1HG GLN 43 7.029 -15.903 17.198 280 2HG GLN 43 2HG GLN 43 8.619 -16.634 16.980 281 1HE2 GLN 43 2HE2 GLN 43 5.423 -19.016 17.069 282 2HE2 GLN 43 1HE2 GLN 43 5.335 -17.335 16.866 283 H THR 44 H THR 44 10.341 -15.510 16.967 284 HA THR 44 HA THR 44 12.578 -16.964 18.202 285 HB THR 44 HB THR 44 12.115 -16.032 15.291 286 HG1 THR 44 HG1 THR 44 11.350 -18.147 15.067 287 1HG2 THR 44 1HG2 THR 44 14.247 -17.567 16.697 288 2HG2 THR 44 2HG2 THR 44 13.561 -18.427 15.325 289 3HG2 THR 44 3HG2 THR 44 14.289 -16.840 15.096 290 NH1 ARG 45 NH2 ARG 45 13.222 -13.373 23.465 291 NH2 ARG 45 NH1 ARG 45 15.468 -13.605 23.827 292 H ARG 45 H ARG 45 12.924 -15.069 19.515 293 HA ARG 45 HA ARG 45 13.983 -12.669 18.260 294 1HB ARG 45 1HB ARG 45 12.787 -12.278 20.292 295 2HB ARG 45 2HB ARG 45 13.580 -13.620 21.102 296 1HG ARG 45 1HG ARG 45 15.619 -12.436 21.286 297 2HG ARG 45 2HG ARG 45 15.136 -11.237 20.100 298 1HD ARG 45 1HD ARG 45 14.638 -10.003 21.961 299 2HD ARG 45 2HD ARG 45 13.150 -10.929 21.958 300 HE ARG 45 HE ARG 45 14.954 -11.023 24.065 301 1HH1 ARG 45 1HH2 ARG 45 12.447 -12.779 23.252 302 2HH1 ARG 45 2HH2 ARG 45 13.079 -14.352 23.611 303 1HH2 ARG 45 1HH1 ARG 45 16.373 -13.186 23.886 304 2HH2 ARG 45 2HH1 ARG 45 15.362 -14.587 23.977 305 H ASP 46 H ASP 46 15.994 -12.245 17.775 306 HA ASP 46 HA ASP 46 17.947 -14.320 18.257 307 1HB ASP 46 1HB ASP 46 17.946 -12.909 16.166 308 2HB ASP 46 2HB ASP 46 18.357 -11.502 17.145 309 H LEU 47 H LEU 47 17.043 -13.586 20.592 310 HA LEU 47 HA LEU 47 17.475 -12.221 22.573 311 1HB LEU 47 1HB LEU 47 19.959 -13.969 22.377 312 2HB LEU 47 2HB LEU 47 18.965 -13.638 23.788 313 HG LEU 47 HG LEU 47 17.101 -14.794 22.195 314 1HD1 LEU 47 2HD1 LEU 47 19.116 -15.132 20.531 315 2HD1 LEU 47 3HD1 LEU 47 19.542 -16.457 21.611 316 3HD1 LEU 47 1HD1 LEU 47 17.983 -16.454 20.792 317 1HD2 LEU 47 1HD2 LEU 47 19.113 -15.983 24.111 318 2HD2 LEU 47 2HD2 LEU 47 17.414 -15.614 24.395 319 3HD2 LEU 47 3HD2 LEU 47 17.859 -16.987 23.384 320 NH1 ARG 48 NH2 ARG 48 19.170 -12.501 26.902 321 NH2 ARG 48 NH1 ARG 48 21.331 -12.778 26.218 322 H ARG 48 H ARG 48 17.948 -10.272 22.551 323 HA ARG 48 HA ARG 48 19.111 -8.321 22.471 324 1HB ARG 48 1HB ARG 48 21.151 -10.295 23.475 325 2HB ARG 48 2HB ARG 48 21.517 -8.577 23.375 326 1HG ARG 48 1HG ARG 48 20.668 -8.844 25.588 327 2HG ARG 48 2HG ARG 48 19.312 -8.205 24.677 328 1HD ARG 48 1HD ARG 48 18.810 -10.186 26.216 329 2HD ARG 48 2HD ARG 48 18.223 -10.309 24.563 330 HE ARG 48 HE ARG 48 20.233 -11.788 24.129 331 1HH1 ARG 48 1HH2 ARG 48 18.267 -12.104 26.746 332 2HH1 ARG 48 2HH2 ARG 48 19.333 -13.072 27.707 333 1HH2 ARG 48 1HH1 ARG 48 22.048 -12.589 25.547 334 2HH2 ARG 48 2HH1 ARG 48 21.530 -13.352 27.015 335 CH2 TRP 49 CH2 TRP 49 17.422 -4.418 15.637 336 H TRP 49 H TRP 49 19.721 -7.101 21.072 337 HA TRP 49 HA TRP 49 21.973 -7.399 19.363 338 1HB TRP 49 1HB TRP 49 20.900 -7.945 17.261 339 2HB TRP 49 2HB TRP 49 20.253 -9.099 18.412 340 HD1 TRP 49 HD1 TRP 49 17.589 -9.248 18.554 341 HE1 TRP 49 HE1 TRP 49 15.778 -7.694 17.746 342 HE3 TRP 49 HE3 TRP 49 20.409 -5.679 16.517 343 HZ2 TRP 49 HZ2 TRP 49 15.536 -5.272 16.117 344 HZ3 TRP 49 HZ3 TRP 49 19.433 -3.803 15.278 345 HH2 TRP 49 HH2 TRP 49 16.992 -3.604 15.071 346 CH2 TRP 50 CH2 TRP 50 17.265 -7.062 23.646 347 H TRP 50 H TRP 50 19.009 -5.888 20.259 348 HA TRP 50 HA TRP 50 19.729 -3.417 18.771 349 1HB TRP 50 1HB TRP 50 17.283 -2.870 19.452 350 2HB TRP 50 2HB TRP 50 17.568 -4.096 18.243 351 HD1 TRP 50 HD1 TRP 50 15.009 -4.718 19.163 352 HE1 TRP 50 HE1 TRP 50 14.563 -6.812 20.505 353 HE3 TRP 50 HE3 TRP 50 19.151 -4.868 22.023 354 HZ2 TRP 50 HZ2 TRP 50 15.657 -8.148 22.821 355 HZ3 TRP 50 HZ3 TRP 50 19.012 -5.943 24.149 356 HH2 TRP 50 HH2 TRP 50 17.212 -7.568 24.597 357 H GLU 51 H GLU 51 17.444 -3.340 21.233 358 HA GLU 51 HA GLU 51 19.038 -1.440 22.830 359 1HB GLU 51 1HB GLU 51 16.252 -1.755 21.802 360 2HB GLU 51 2HB GLU 51 16.363 -1.096 23.453 361 1HG GLU 51 1HG GLU 51 18.088 0.019 21.244 362 2HG GLU 51 2HG GLU 51 16.447 0.608 21.508 363 H LEU 52 H LEU 52 16.047 -2.780 23.933 364 HA LEU 52 HA LEU 52 17.356 -4.688 25.752 365 1HB LEU 52 1HB LEU 52 17.548 -2.466 26.895 366 2HB LEU 52 2HB LEU 52 15.824 -2.215 26.704 367 HG LEU 52 HG LEU 52 15.487 -4.337 28.115 368 1HD1 LEU 52 2HD1 LEU 52 18.446 -3.837 28.598 369 2HD1 LEU 52 3HD1 LEU 52 17.443 -4.871 29.608 370 3HD1 LEU 52 1HD1 LEU 52 17.730 -5.302 27.932 371 1HD2 LEU 52 2HD2 LEU 52 16.660 -1.747 29.080 372 2HD2 LEU 52 3HD2 LEU 52 15.002 -2.324 29.196 373 3HD2 LEU 52 1HD2 LEU 52 16.242 -3.006 30.241 374 NH1 ARG 53 NH1 ARG 53 14.587 -11.536 26.186 375 NH2 ARG 53 NH2 ARG 53 16.538 -11.258 27.342 376 H ARG 53 H ARG 53 15.829 -6.045 26.833 377 HA ARG 53 HA ARG 53 13.750 -7.084 25.388 378 1HB ARG 53 1HB ARG 53 14.264 -6.805 28.338 379 2HB ARG 53 2HB ARG 53 12.678 -7.393 27.853 380 1HG ARG 53 1HG ARG 53 13.687 -9.218 26.590 381 2HG ARG 53 2HG ARG 53 15.301 -8.584 26.895 382 1HD ARG 53 1HD ARG 53 15.168 -9.075 29.227 383 2HD ARG 53 2HD ARG 53 13.422 -9.315 29.154 384 HE ARG 53 HE ARG 53 14.199 -11.573 28.941 385 1HH1 ARG 53 1HH1 ARG 53 13.588 -11.502 26.172 386 2HH1 ARG 53 2HH1 ARG 53 15.089 -11.794 25.361 387 1HH2 ARG 53 1HH2 ARG 53 16.999 -11.016 28.196 388 2HH2 ARG 53 2HH2 ARG 53 17.075 -11.520 26.540 Start of MODEL 5 Raw file had 388 H/Q atoms Start of MODEL 5 1 1H ASN 1 2H ASN 1 5.604 0.277 3.859 2 2H ASN 1 3H ASN 1 6.785 0.612 2.686 3 3H ASN 1 1H ASN 1 5.302 1.437 2.655 4 HA ASN 1 HA ASN 1 5.105 -0.136 0.978 5 1HB ASN 1 1HB ASN 1 6.213 -2.111 3.033 6 2HB ASN 1 2HB ASN 1 5.650 -2.555 1.424 7 1HD2 ASN 1 2HD2 ASN 1 8.953 -2.054 0.284 8 2HD2 ASN 1 1HD2 ASN 1 7.649 -3.128 0.449 9 H SER 2 H SER 2 4.386 -0.670 4.371 10 HA SER 2 HA SER 2 1.739 -1.820 3.616 11 1HB SER 2 1HB SER 2 2.368 -1.663 6.497 12 2HB SER 2 2HB SER 2 1.995 -3.098 5.519 13 HG SER 2 HG SER 2 4.429 -1.935 6.129 14 OH TYR 3 OH TYR 3 -2.700 2.684 -0.228 15 H TYR 3 H TYR 3 -0.113 -1.133 4.960 16 HA TYR 3 HA TYR 3 -0.127 1.804 5.105 17 1HB TYR 3 1HB TYR 3 -2.188 -0.392 5.046 18 2HB TYR 3 2HB TYR 3 -2.659 1.173 5.700 19 HD1 TYR 3 HD2 TYR 3 -2.381 3.236 4.253 20 HD2 TYR 3 HD1 TYR 3 -1.930 -0.694 2.684 21 HE1 TYR 3 HE2 TYR 3 -2.700 4.104 1.983 22 HE2 TYR 3 HE1 TYR 3 -2.271 0.175 0.416 23 HH TYR 3 HH TYR 3 -3.642 2.835 -0.347 24 HA PRO 4 HA PRO 4 0.449 1.291 9.569 25 1HB PRO 4 1HB PRO 4 -0.221 4.020 10.141 26 2HB PRO 4 2HB PRO 4 1.402 3.343 10.000 27 1HG PRO 4 1HG PRO 4 -0.001 5.090 8.129 28 2HG PRO 4 2HG PRO 4 1.684 4.568 8.089 29 1HD PRO 4 2HD PRO 4 -0.449 3.677 6.396 30 2HD PRO 4 1HD PRO 4 1.219 3.067 6.440 31 H GLY 5 H GLY 5 -1.238 0.229 10.495 32 1HA GLY 5 1HA GLY 5 -3.563 1.727 11.369 33 2HA GLY 5 2HA GLY 5 -3.950 0.628 10.058 34 H CYS 6 H CYS 6 -4.507 0.738 13.126 35 HA CYS 6 HA CYS 6 -4.493 -2.128 13.414 36 1HB CYS 6 1HB CYS 6 -2.925 -1.236 15.654 37 2HB CYS 6 2HB CYS 6 -2.567 -2.474 14.487 38 HA PRO 7 HA PRO 7 -7.826 -0.393 16.047 39 1HB PRO 7 1HB PRO 7 -8.207 -3.255 16.755 40 2HB PRO 7 2HB PRO 7 -9.389 -2.113 16.103 41 1HG PRO 7 1HG PRO 7 -8.187 -4.163 14.651 42 2HG PRO 7 2HG PRO 7 -8.917 -2.726 13.925 43 1HD PRO 7 2HD PRO 7 -6.089 -3.455 14.138 44 2HD PRO 7 1HD PRO 7 -6.826 -2.175 13.161 45 H SER 8 H SER 8 -8.526 -0.833 18.339 46 HA SER 8 HA SER 8 -6.148 -0.661 19.956 47 1HB SER 8 1HB SER 8 -8.810 -0.940 21.319 48 2HB SER 8 2HB SER 8 -7.577 0.319 21.511 49 HG SER 8 HG SER 8 -9.650 0.748 20.240 50 H SER 9 H SER 9 -5.537 -2.880 19.206 51 HA SER 9 HA SER 9 -5.896 -4.731 21.413 52 1HB SER 9 1HB SER 9 -7.489 -6.128 20.468 53 2HB SER 9 2HB SER 9 -7.699 -4.941 19.165 54 HG SER 9 HG SER 9 -6.909 -6.671 18.123 55 OH TYR 10 OH TYR 10 -4.917 -8.933 14.753 56 H TYR 10 H TYR 10 -4.425 -3.472 18.733 57 HA TYR 10 HA TYR 10 -2.449 -5.678 18.499 58 1HB TYR 10 1HB TYR 10 -3.317 -3.336 16.793 59 2HB TYR 10 2HB TYR 10 -1.694 -4.003 16.561 60 HD1 TYR 10 HD2 TYR 10 -1.464 -6.457 16.251 61 HD2 TYR 10 HD1 TYR 10 -5.236 -4.560 15.973 62 HE1 TYR 10 HE2 TYR 10 -2.415 -8.567 15.537 63 HE2 TYR 10 HE1 TYR 10 -6.214 -6.664 15.133 64 HH TYR 10 HH TYR 10 -5.711 -9.127 15.255 65 H ASP 11 H ASP 11 -2.899 -3.339 20.528 66 HA ASP 11 HA ASP 11 -0.162 -2.199 20.447 67 1HB ASP 11 1HB ASP 11 -2.473 -0.940 21.009 68 2HB ASP 11 2HB ASP 11 -2.189 -1.596 22.618 69 H GLY 12 H GLY 12 -1.308 -4.990 21.257 70 1HA GLY 12 1HA GLY 12 0.556 -5.315 23.530 71 2HA GLY 12 2HA GLY 12 -1.119 -5.772 23.816 72 OH TYR 13 OH TYR 13 1.644 -11.137 14.983 73 H TYR 13 H TYR 13 -0.822 -6.507 20.673 74 HA TYR 13 HA TYR 13 -0.398 -9.332 21.282 75 1HB TYR 13 1HB TYR 13 -1.921 -9.265 19.531 76 2HB TYR 13 2HB TYR 13 -1.362 -7.690 18.970 77 HD1 TYR 13 HD2 TYR 13 -0.152 -11.248 19.142 78 HD2 TYR 13 HD1 TYR 13 -0.134 -7.571 17.074 79 HE1 TYR 13 HE2 TYR 13 0.989 -12.319 17.246 80 HE2 TYR 13 HE1 TYR 13 0.834 -8.625 15.132 81 HH TYR 13 HH TYR 13 0.971 -11.408 14.353 82 H CYS 14 H CYS 14 1.486 -6.697 20.258 83 HA CYS 14 HA CYS 14 3.656 -8.505 19.297 84 1HB CYS 14 1HB CYS 14 3.901 -5.536 19.156 85 2HB CYS 14 2HB CYS 14 4.431 -6.741 18.014 86 H LEU 15 H LEU 15 4.951 -9.089 20.907 87 HA LEU 15 HA LEU 15 5.437 -7.386 23.233 88 1HB LEU 15 1HB LEU 15 7.444 -9.420 23.060 89 2HB LEU 15 2HB LEU 15 6.015 -9.458 24.080 90 HG LEU 15 HG LEU 15 6.045 -10.351 21.167 91 1HD1 LEU 15 2HD1 LEU 15 7.523 -11.730 22.647 92 2HD1 LEU 15 3HD1 LEU 15 6.117 -12.079 23.651 93 3HD1 LEU 15 1HD1 LEU 15 6.161 -12.624 21.973 94 1HD2 LEU 15 1HD2 LEU 15 3.967 -10.083 23.259 95 2HD2 LEU 15 2HD2 LEU 15 3.774 -10.221 21.521 96 3HD2 LEU 15 3HD2 LEU 15 4.005 -11.666 22.491 97 H ASN 16 H ASN 16 7.394 -8.765 20.676 98 HA ASN 16 HA ASN 16 9.752 -7.177 21.106 99 1HB ASN 16 1HB ASN 16 8.766 -8.369 18.482 100 2HB ASN 16 2HB ASN 16 10.425 -8.195 19.020 101 1HD2 ASN 16 2HD2 ASN 16 10.165 -10.941 21.365 102 2HD2 ASN 16 1HD2 ASN 16 10.881 -9.413 21.183 103 H GLY 17 H GLY 17 10.403 -6.018 18.713 104 1HA GLY 17 1HA GLY 17 9.039 -3.527 18.779 105 2HA GLY 17 2HA GLY 17 9.987 -4.093 17.392 106 H GLY 18 H GLY 18 8.884 -4.922 15.609 107 1HA GLY 18 1HA GLY 18 7.017 -5.772 14.432 108 2HA GLY 18 2HA GLY 18 6.155 -5.859 15.957 109 H VAL 19 H VAL 19 6.077 -4.458 13.088 110 HA VAL 19 HA VAL 19 5.068 -1.901 14.054 111 HB VAL 19 HB VAL 19 5.707 -2.826 11.234 112 1HG1 VAL 19 3HG1 VAL 19 4.698 -0.290 12.454 113 2HG1 VAL 19 1HG1 VAL 19 5.855 -0.149 11.131 114 3HG1 VAL 19 2HG1 VAL 19 4.334 -1.000 10.884 115 1HG2 VAL 19 2HG2 VAL 19 7.672 -2.704 12.918 116 2HG2 VAL 19 3HG2 VAL 19 7.828 -1.713 11.465 117 3HG2 VAL 19 1HG2 VAL 19 7.351 -0.970 12.985 118 H CYS 20 H CYS 20 2.985 -2.138 14.598 119 HA CYS 20 HA CYS 20 1.188 -4.000 13.373 120 1HB CYS 20 1HB CYS 20 -0.438 -3.107 14.785 121 2HB CYS 20 2HB CYS 20 1.051 -2.948 15.659 122 H MET 21 H MET 21 0.187 -3.976 11.565 123 HA MET 21 HA MET 21 -0.407 -1.361 10.212 124 1HB MET 21 1HB MET 21 0.030 -3.805 8.547 125 2HB MET 21 2HB MET 21 0.579 -2.157 8.248 126 1HG MET 21 1HG MET 21 2.279 -2.491 10.079 127 2HG MET 21 2HG MET 21 1.790 -4.163 10.168 128 1HE MET 21 2HE MET 21 1.894 -5.813 8.300 129 2HE MET 21 3HE MET 21 3.489 -6.039 7.587 130 3HE MET 21 1HE MET 21 3.314 -5.910 9.337 131 H HIS 22 H HIS 22 -1.802 -1.996 8.169 132 HA HIS 22 HA HIS 22 -4.027 -3.770 9.081 133 1HB HIS 22 1HB HIS 22 -4.716 -1.490 9.527 134 2HB HIS 22 2HB HIS 22 -4.098 -0.926 7.981 135 HD1 HIS 22 HD1 HIS 22 -6.307 -0.249 6.990 136 HD2 HIS 22 HD2 HIS 22 -6.446 -4.082 8.334 137 HE1 HIS 22 HE1 HIS 22 -8.425 -1.148 6.173 138 H ILE 23 H ILE 23 -1.979 -2.695 6.558 139 HA ILE 23 HA ILE 23 -2.076 -2.967 4.196 140 HB ILE 23 HB ILE 23 -2.090 -5.562 3.783 141 1HG1 ILE 23 1HG1 ILE 23 -1.990 -5.462 6.818 142 2HG1 ILE 23 2HG1 ILE 23 -3.328 -6.104 5.872 143 1HG2 ILE 23 2HG2 ILE 23 -0.046 -4.090 4.032 144 2HG2 ILE 23 3HG2 ILE 23 -0.124 -4.321 5.776 145 3HG2 ILE 23 1HG2 ILE 23 0.211 -5.687 4.719 146 1HD1 ILE 23 1HD1 ILE 23 -1.293 -7.501 4.757 147 2HD1 ILE 23 2HD1 ILE 23 -0.624 -7.258 6.368 148 3HD1 ILE 23 3HD1 ILE 23 -2.170 -8.075 6.169 149 H GLU 24 H GLU 24 -3.708 -2.265 3.021 150 HA GLU 24 HA GLU 24 -6.417 -2.770 3.205 151 1HB GLU 24 1HB GLU 24 -4.675 -1.601 1.301 152 2HB GLU 24 2HB GLU 24 -5.603 -2.788 0.394 153 1HG GLU 24 1HG GLU 24 -6.832 -0.682 0.380 154 2HG GLU 24 2HG GLU 24 -7.703 -1.825 1.397 155 H SER 25 H SER 25 -4.135 -4.665 1.228 156 HA SER 25 HA SER 25 -6.048 -6.517 0.236 157 1HB SER 25 1HB SER 25 -3.090 -6.349 0.488 158 2HB SER 25 2HB SER 25 -3.719 -8.007 0.439 159 HG SER 25 HG SER 25 -5.160 -6.969 -1.292 160 H LEU 26 H LEU 26 -7.302 -7.860 1.342 161 HA LEU 26 HA LEU 26 -8.119 -9.114 3.157 162 1HB LEU 26 1HB LEU 26 -5.474 -10.160 2.284 163 2HB LEU 26 2HB LEU 26 -5.970 -10.704 3.881 164 HG LEU 26 HG LEU 26 -8.182 -11.408 2.891 165 1HD1 LEU 26 2HD1 LEU 26 -8.089 -9.851 0.938 166 2HD1 LEU 26 3HD1 LEU 26 -6.767 -10.801 0.272 167 3HD1 LEU 26 1HD1 LEU 26 -8.366 -11.517 0.443 168 1HD2 LEU 26 2HD2 LEU 26 -5.584 -12.557 1.848 169 2HD2 LEU 26 3HD2 LEU 26 -6.589 -13.156 3.164 170 3HD2 LEU 26 1HD2 LEU 26 -7.136 -13.314 1.499 171 H ASP 27 H ASP 27 -8.459 -7.695 4.784 172 HA ASP 27 HA ASP 27 -6.291 -6.698 6.434 173 1HB ASP 27 1HB ASP 27 -9.314 -6.699 6.843 174 2HB ASP 27 2HB ASP 27 -8.168 -5.772 7.812 175 H SER 28 H SER 28 -5.435 -7.527 8.156 176 HA SER 28 HA SER 28 -6.895 -9.535 9.771 177 1HB SER 28 1HB SER 28 -4.379 -10.669 9.710 178 2HB SER 28 2HB SER 28 -5.655 -11.155 8.575 179 HG SER 28 HG SER 28 -3.388 -10.012 7.979 180 OH TYR 29 OH TYR 29 -9.212 -2.918 10.370 181 H TYR 29 H TYR 29 -4.799 -6.973 9.348 182 HA TYR 29 HA TYR 29 -3.567 -5.634 10.792 183 1HB TYR 29 1HB TYR 29 -5.363 -6.993 12.844 184 2HB TYR 29 2HB TYR 29 -4.429 -5.533 13.140 185 HD1 TYR 29 HD2 TYR 29 -4.839 -3.620 11.296 186 HD2 TYR 29 HD1 TYR 29 -7.599 -6.720 12.220 187 HE1 TYR 29 HE2 TYR 29 -6.680 -2.233 10.477 188 HE2 TYR 29 HE1 TYR 29 -9.436 -5.343 11.363 189 HH TYR 29 HH TYR 29 -8.839 -2.090 10.058 190 H THR 30 H THR 30 -1.477 -5.956 11.271 191 HA THR 30 HA THR 30 -0.768 -7.883 13.369 192 HB THR 30 HB THR 30 -0.972 -9.535 11.559 193 HG1 THR 30 HG1 THR 30 1.342 -9.930 11.284 194 1HG2 THR 30 2HG2 THR 30 0.090 -7.264 9.966 195 2HG2 THR 30 3HG2 THR 30 0.983 -8.754 9.675 196 3HG2 THR 30 1HG2 THR 30 -0.755 -8.701 9.392 197 H CYS 31 H CYS 31 1.572 -8.068 13.661 198 HA CYS 31 HA CYS 31 2.819 -5.438 13.154 199 1HB CYS 31 1HB CYS 31 2.880 -7.478 15.264 200 2HB CYS 31 2HB CYS 31 4.454 -6.860 14.860 201 H ASN 32 H ASN 32 4.459 -5.179 11.822 202 HA ASN 32 HA ASN 32 5.518 -7.437 10.323 203 1HB ASN 32 1HB ASN 32 5.270 -4.760 9.784 204 2HB ASN 32 2HB ASN 32 6.942 -4.787 10.329 205 1HD2 ASN 32 2HD2 ASN 32 7.806 -7.223 7.678 206 2HD2 ASN 32 1HD2 ASN 32 7.919 -7.164 9.369 207 H CYS 33 H CYS 33 6.903 -8.816 11.375 208 HA CYS 33 HA CYS 33 8.433 -8.090 13.634 209 1HB CYS 33 1HB CYS 33 8.390 -10.349 11.718 210 2HB CYS 33 2HB CYS 33 9.922 -10.132 12.521 211 H VAL 34 H VAL 34 11.170 -8.913 12.960 212 HA VAL 34 HA VAL 34 11.875 -6.715 11.068 213 HB VAL 34 HB VAL 34 13.712 -6.698 13.271 214 1HG1 VAL 34 2HG1 VAL 34 13.304 -4.878 11.625 215 2HG1 VAL 34 3HG1 VAL 34 11.708 -4.637 12.330 216 3HG1 VAL 34 1HG1 VAL 34 13.152 -4.321 13.287 217 1HG2 VAL 34 2HG2 VAL 34 11.768 -7.534 14.584 218 2HG2 VAL 34 3HG2 VAL 34 12.165 -5.871 15.022 219 3HG2 VAL 34 1HG2 VAL 34 10.805 -6.197 13.973 220 H ILE 35 H ILE 35 14.399 -6.490 11.336 221 HA ILE 35 HA ILE 35 15.374 -8.810 9.893 222 HB ILE 35 HB ILE 35 16.359 -6.045 10.642 223 1HG1 ILE 35 1HG1 ILE 35 14.802 -6.206 8.756 224 2HG1 ILE 35 2HG1 ILE 35 16.385 -5.663 8.232 225 1HG2 ILE 35 1HG2 ILE 35 17.948 -8.401 9.723 226 2HG2 ILE 35 2HG2 ILE 35 18.277 -6.875 8.916 227 3HG2 ILE 35 3HG2 ILE 35 18.446 -7.003 10.659 228 1HD1 ILE 35 3HD1 ILE 35 16.510 -8.462 7.964 229 2HD1 ILE 35 1HD1 ILE 35 14.896 -8.032 7.423 230 3HD1 ILE 35 2HD1 ILE 35 16.303 -7.294 6.674 231 H GLY 36 H GLY 36 15.501 -10.388 11.451 232 1HA GLY 36 1HA GLY 36 17.649 -11.245 12.650 233 2HA GLY 36 2HA GLY 36 17.351 -9.873 13.702 234 OH TYR 37 OH TYR 37 13.398 -5.893 17.633 235 H TYR 37 H TYR 37 14.442 -10.221 13.481 236 HA TYR 37 HA TYR 37 14.264 -12.790 14.888 237 1HB TYR 37 1HB TYR 37 12.999 -11.874 16.673 238 2HB TYR 37 2HB TYR 37 14.717 -11.450 16.609 239 HD1 TYR 37 HD2 TYR 37 14.232 -9.029 14.530 240 HD2 TYR 37 HD1 TYR 37 12.399 -10.242 18.146 241 HE1 TYR 37 HE2 TYR 37 14.331 -6.779 15.295 242 HE2 TYR 37 HE1 TYR 37 12.633 -8.051 19.020 243 HH TYR 37 HH TYR 37 13.833 -5.863 18.487 244 H SER 38 H SER 38 12.415 -13.829 15.111 245 HA SER 38 HA SER 38 10.005 -12.775 13.878 246 1HB SER 38 1HB SER 38 11.802 -14.652 12.313 247 2HB SER 38 2HB SER 38 10.063 -14.580 11.976 248 HG SER 38 HG SER 38 11.961 -12.485 11.926 249 H GLY 39 H GLY 39 8.789 -15.133 13.043 250 1HA GLY 39 1HA GLY 39 8.365 -17.427 13.961 251 2HA GLY 39 2HA GLY 39 8.694 -16.756 15.564 252 H ASP 40 H ASP 40 6.505 -17.323 16.278 253 HA ASP 40 HA ASP 40 4.135 -16.640 14.929 254 1HB ASP 40 1HB ASP 40 4.896 -16.761 17.867 255 2HB ASP 40 2HB ASP 40 3.298 -16.163 17.424 256 NH1 ARG 41 NH1 ARG 41 1.400 -13.925 20.027 257 NH2 ARG 41 NH2 ARG 41 1.649 -12.538 21.823 258 H ARG 41 H ARG 41 6.525 -14.707 16.405 259 HA ARG 41 HA ARG 41 5.869 -12.279 15.189 260 1HB ARG 41 1HB ARG 41 4.998 -11.091 17.369 261 2HB ARG 41 2HB ARG 41 3.842 -12.025 16.435 262 1HG ARG 41 1HG ARG 41 3.807 -13.787 17.997 263 2HG ARG 41 2HG ARG 41 5.386 -13.358 18.662 264 1HD ARG 41 1HD ARG 41 4.453 -11.355 19.667 265 2HD ARG 41 2HD ARG 41 2.887 -11.658 18.919 266 HE ARG 41 HE ARG 41 4.086 -13.442 21.006 267 1HH1 ARG 41 1HH1 ARG 41 1.804 -14.381 19.234 268 2HH1 ARG 41 2HH1 ARG 41 0.434 -14.063 20.247 269 1HH2 ARG 41 1HH2 ARG 41 2.240 -11.954 22.379 270 2HH2 ARG 41 2HH2 ARG 41 0.685 -12.652 22.068 271 H CYS 42 H CYS 42 8.216 -12.977 15.268 272 HA CYS 42 HA CYS 42 10.389 -12.819 16.185 273 1HB CYS 42 1HB CYS 42 10.070 -10.346 17.552 274 2HB CYS 42 2HB CYS 42 10.934 -10.702 16.063 275 H GLN 43 H GLN 43 8.140 -13.904 17.904 276 HA GLN 43 HA GLN 43 8.658 -13.233 20.608 277 1HB GLN 43 1HB GLN 43 8.169 -15.838 20.915 278 2HB GLN 43 2HB GLN 43 6.876 -14.819 20.290 279 1HG GLN 43 1HG GLN 43 7.273 -15.513 18.042 280 2HG GLN 43 2HG GLN 43 8.835 -16.215 18.454 281 1HE2 GLN 43 2HE2 GLN 43 7.063 -19.287 18.542 282 2HE2 GLN 43 1HE2 GLN 43 8.168 -18.337 17.672 283 H THR 44 H THR 44 10.282 -14.978 18.148 284 HA THR 44 HA THR 44 12.447 -15.857 19.958 285 HB THR 44 HB THR 44 11.796 -16.314 16.992 286 HG1 THR 44 HG1 THR 44 12.181 -18.485 17.897 287 1HG2 THR 44 1HG2 THR 44 14.428 -16.521 18.473 288 2HG2 THR 44 2HG2 THR 44 14.012 -17.837 17.378 289 3HG2 THR 44 3HG2 THR 44 14.164 -16.193 16.764 290 NH1 ARG 45 NH1 ARG 45 12.495 -10.951 23.790 291 NH2 ARG 45 NH2 ARG 45 11.820 -8.770 23.924 292 H ARG 45 H ARG 45 12.826 -13.722 20.528 293 HA ARG 45 HA ARG 45 13.944 -11.880 18.533 294 1HB ARG 45 1HB ARG 45 12.517 -10.865 20.236 295 2HB ARG 45 2HB ARG 45 13.346 -11.729 21.520 296 1HG ARG 45 1HG ARG 45 15.324 -10.391 21.259 297 2HG ARG 45 2HG ARG 45 14.731 -9.693 19.756 298 1HD ARG 45 1HD ARG 45 14.262 -8.013 21.368 299 2HD ARG 45 2HD ARG 45 12.719 -8.846 21.209 300 HE ARG 45 HE ARG 45 14.631 -9.250 23.471 301 1HH1 ARG 45 1HH1 ARG 45 13.180 -11.619 23.501 302 2HH1 ARG 45 2HH1 ARG 45 11.661 -11.258 24.249 303 1HH2 ARG 45 1HH2 ARG 45 12.001 -7.803 23.733 304 2HH2 ARG 45 2HH2 ARG 45 10.974 -9.038 24.382 305 H ASP 46 H ASP 46 15.939 -12.152 17.933 306 HA ASP 46 HA ASP 46 17.782 -13.613 19.580 307 1HB ASP 46 1HB ASP 46 17.972 -12.071 16.982 308 2HB ASP 46 2HB ASP 46 19.453 -12.595 17.777 309 H LEU 47 H LEU 47 17.173 -12.082 21.366 310 HA LEU 47 HA LEU 47 17.424 -9.835 22.340 311 1HB LEU 47 1HB LEU 47 19.994 -10.590 23.333 312 2HB LEU 47 2HB LEU 47 18.442 -10.838 24.113 313 HG LEU 47 HG LEU 47 19.577 -12.753 22.046 314 1HD1 LEU 47 2HD1 LEU 47 19.772 -12.754 25.076 315 2HD1 LEU 47 3HD1 LEU 47 20.097 -14.169 24.085 316 3HD1 LEU 47 1HD1 LEU 47 21.108 -12.735 23.929 317 1HD2 LEU 47 2HD2 LEU 47 17.020 -12.461 23.216 318 2HD2 LEU 47 3HD2 LEU 47 17.604 -13.848 22.305 319 3HD2 LEU 47 1HD2 LEU 47 17.771 -13.815 24.060 320 NH1 ARG 48 NH1 ARG 48 17.436 -4.730 25.842 321 NH2 ARG 48 NH2 ARG 48 15.907 -6.424 25.864 322 H ARG 48 H ARG 48 17.883 -8.032 21.848 323 HA ARG 48 HA ARG 48 18.813 -6.472 20.245 324 1HB ARG 48 1HB ARG 48 20.202 -6.642 22.911 325 2HB ARG 48 2HB ARG 48 20.596 -5.353 21.777 326 1HG ARG 48 1HG ARG 48 18.823 -4.555 23.250 327 2HG ARG 48 2HG ARG 48 18.147 -4.795 21.653 328 1HD ARG 48 1HD ARG 48 16.985 -6.734 22.276 329 2HD ARG 48 2HD ARG 48 18.014 -7.021 23.681 330 HE ARG 48 HE ARG 48 15.862 -4.960 23.498 331 1HH1 ARG 48 1HH1 ARG 48 17.966 -4.061 25.322 332 2HH1 ARG 48 2HH1 ARG 48 17.513 -4.764 26.838 333 1HH2 ARG 48 1HH2 ARG 48 15.289 -7.028 25.359 334 2HH2 ARG 48 2HH2 ARG 48 15.961 -6.482 26.862 335 CH2 TRP 49 CH2 TRP 49 21.376 -8.998 12.278 336 H TRP 49 H TRP 49 19.797 -6.612 18.507 337 HA TRP 49 HA TRP 49 22.674 -7.073 18.410 338 1HB TRP 49 1HB TRP 49 22.653 -9.150 17.268 339 2HB TRP 49 2HB TRP 49 21.321 -9.373 18.386 340 HD1 TRP 49 HD1 TRP 49 18.823 -9.819 17.261 341 HE1 TRP 49 HE1 TRP 49 18.342 -10.384 14.886 342 HE3 TRP 49 HE3 TRP 49 22.936 -8.016 15.076 343 HZ2 TRP 49 HZ2 TRP 49 19.486 -9.970 12.209 344 HZ3 TRP 49 HZ3 TRP 49 23.238 -8.020 12.645 345 HH2 TRP 49 HH2 TRP 49 21.495 -8.989 11.203 346 CH2 TRP 50 CH2 TRP 50 16.802 -5.229 19.491 347 H TRP 50 H TRP 50 19.666 -6.675 16.801 348 HA TRP 50 HA TRP 50 20.853 -5.516 14.364 349 1HB TRP 50 1HB TRP 50 18.331 -5.658 13.815 350 2HB TRP 50 2HB TRP 50 19.218 -7.148 14.103 351 HD1 TRP 50 HD1 TRP 50 16.558 -7.921 14.644 352 HE1 TRP 50 HE1 TRP 50 15.610 -8.281 16.931 353 HE3 TRP 50 HE3 TRP 50 19.203 -4.554 17.338 354 HZ2 TRP 50 HZ2 TRP 50 15.623 -6.968 19.501 355 HZ3 TRP 50 HZ3 TRP 50 18.192 -3.633 19.282 356 HH2 TRP 50 HH2 TRP 50 16.368 -4.849 20.399 357 H GLU 51 H GLU 51 17.733 -4.668 15.187 358 HA GLU 51 HA GLU 51 17.920 -1.909 14.743 359 1HB GLU 51 1HB GLU 51 15.999 -3.974 15.304 360 2HB GLU 51 2HB GLU 51 15.667 -2.624 16.410 361 1HG GLU 51 1HG GLU 51 16.012 -2.304 13.403 362 2HG GLU 51 2HG GLU 51 14.451 -2.422 14.208 363 H LEU 52 H LEU 52 16.492 -0.661 16.725 364 HA LEU 52 HA LEU 52 18.118 -0.982 19.190 365 1HB LEU 52 1HB LEU 52 18.561 1.068 17.276 366 2HB LEU 52 2HB LEU 52 17.673 1.854 18.573 367 HG LEU 52 HG LEU 52 20.129 0.125 19.038 368 1HD1 LEU 52 2HD1 LEU 52 19.808 3.085 18.559 369 2HD1 LEU 52 3HD1 LEU 52 21.121 2.480 19.562 370 3HD1 LEU 52 1HD1 LEU 52 21.000 1.982 17.878 371 1HD2 LEU 52 1HD2 LEU 52 18.299 0.629 20.873 372 2HD2 LEU 52 2HD2 LEU 52 19.999 0.829 21.276 373 3HD2 LEU 52 3HD2 LEU 52 19.017 2.232 20.881 374 NH1 ARG 53 NH1 ARG 53 15.730 2.963 24.566 375 NH2 ARG 53 NH2 ARG 53 17.238 1.304 24.138 376 H ARG 53 H ARG 53 16.402 -1.728 20.296 377 HA ARG 53 HA ARG 53 14.509 -1.566 21.651 378 1HB ARG 53 1HB ARG 53 15.712 0.825 21.931 379 2HB ARG 53 2HB ARG 53 14.287 1.381 21.061 380 1HG ARG 53 1HG ARG 53 13.589 1.491 23.308 381 2HG ARG 53 2HG ARG 53 12.954 -0.064 22.783 382 1HD ARG 53 1HD ARG 53 14.046 -0.892 24.605 383 2HD ARG 53 2HD ARG 53 15.495 -0.749 23.613 384 HE ARG 53 HE ARG 53 14.932 0.825 25.936 385 1HH1 ARG 53 1HH1 ARG 53 14.826 3.236 24.895 386 2HH1 ARG 53 2HH1 ARG 53 16.374 3.656 24.238 387 1HH2 ARG 53 1HH2 ARG 53 17.469 0.331 24.147 388 2HH2 ARG 53 2HH2 ARG 53 17.903 1.973 23.803 No H/Q in entry = 388
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