NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
608508 | 5kvn | 30138 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASN 1 1HT ASN 1 -2.006 10.002 3.198 2 H2 ASN 1 2HT ASN 1 -0.613 10.694 2.569 3 H3 ASN 1 3HT ASN 1 -0.814 8.991 2.589 4 HA ASN 1 HA ASN 1 -2.501 10.872 1.086 5 HB2 ASN 1 2HB ASN 1 -0.454 8.864 0.128 6 HB3 ASN 1 1HB ASN 1 -1.492 9.785 -0.929 7 HD21 ASN 1 1HD2 ASN 1 -1.066 12.311 0.768 8 HD22 ASN 1 2HD2 ASN 1 0.536 12.768 0.366 9 H ASP 2 H ASP 2 -3.949 9.655 -0.359 10 HA ASP 2 HA ASP 2 -5.165 7.480 1.073 11 HB2 ASP 2 2HB ASP 2 -6.940 7.560 -0.635 12 HB3 ASP 2 1HB ASP 2 -6.613 9.145 0.058 13 H LYS 3 H LYS 3 -2.686 7.505 -0.836 14 HA LYS 3 HA LYS 3 -3.151 5.453 -2.724 15 HB2 LYS 3 2HB LYS 3 -0.512 6.328 -1.568 16 HB3 LYS 3 1HB LYS 3 -0.707 5.224 -2.918 17 HG2 LYS 3 2HG LYS 3 -1.886 7.050 -4.139 18 HG3 LYS 3 1HG LYS 3 -1.463 8.136 -2.815 19 HD2 LYS 3 2HD LYS 3 0.142 8.387 -4.618 20 HD3 LYS 3 1HD LYS 3 0.929 7.639 -3.229 21 HE2 LYS 3 2HE LYS 3 0.779 5.445 -4.268 22 HE3 LYS 3 1HE LYS 3 -0.150 6.110 -5.611 23 HZ1 LYS 3 1HZ LYS 3 2.640 6.887 -4.957 24 HZ2 LYS 3 2HZ LYS 3 1.766 7.314 -6.338 25 HZ3 LYS 3 3HZ LYS 3 2.230 5.722 -6.088 26 H CYS 4 H CYS 4 -2.295 5.254 0.667 27 HA CYS 4 HA CYS 4 -1.203 2.638 0.578 28 HB2 CYS 4 2HB CYS 4 -0.934 4.161 2.539 29 HB3 CYS 4 1HB CYS 4 -2.640 3.967 2.904 30 H LYS 5 H LYS 5 -4.491 3.822 1.098 31 HA LYS 5 HA LYS 5 -5.554 1.199 1.430 32 HB2 LYS 5 2HB LYS 5 -6.889 3.872 1.087 33 HB3 LYS 5 1HB LYS 5 -7.770 2.371 1.369 34 HG2 LYS 5 2HG LYS 5 -6.634 2.071 3.491 35 HG3 LYS 5 1HG LYS 5 -5.680 3.522 3.209 36 HD2 LYS 5 2HD LYS 5 -7.729 4.862 3.234 37 HD3 LYS 5 1HD LYS 5 -8.677 3.401 3.512 38 HE2 LYS 5 2HE LYS 5 -8.282 4.626 5.602 39 HE3 LYS 5 1HE LYS 5 -7.534 3.031 5.630 40 HZ1 LYS 5 1HZ LYS 5 -5.390 4.073 5.162 41 HZ2 LYS 5 2HZ LYS 5 -6.074 4.735 6.540 42 HZ3 LYS 5 3HZ LYS 5 -6.112 5.594 5.108 43 H GLU 6 H GLU 6 -4.952 3.211 -1.256 44 HA GLU 6 HA GLU 6 -6.578 1.663 -3.023 45 HB2 GLU 6 2HB GLU 6 -4.449 3.730 -3.457 46 HB3 GLU 6 1HB GLU 6 -5.096 2.800 -4.798 47 HG2 GLU 6 2HG GLU 6 -6.719 4.509 -2.934 48 HG3 GLU 6 1HG GLU 6 -6.179 4.982 -4.546 49 H LEU 7 H LEU 7 -3.078 1.886 -2.450 50 HA LEU 7 HA LEU 7 -2.343 -0.067 -4.328 51 HB2 LEU 7 2HB LEU 7 -0.862 0.781 -1.849 52 HB3 LEU 7 1HB LEU 7 -0.181 -0.147 -3.165 53 HG LEU 7 HG LEU 7 -1.132 2.716 -3.306 54 HD11 LEU 7 1HD1 LEU 7 1.232 3.230 -3.620 55 HD12 LEU 7 2HD1 LEU 7 1.625 1.528 -3.367 56 HD13 LEU 7 3HD1 LEU 7 0.908 2.474 -2.061 57 HD21 LEU 7 1HD2 LEU 7 -0.130 2.740 -5.526 58 HD22 LEU 7 2HD2 LEU 7 -1.480 1.606 -5.440 59 HD23 LEU 7 3HD2 LEU 7 0.187 1.009 -5.411 60 H LYS 8 H LYS 8 -3.068 -0.453 -0.839 61 HA LYS 8 HA LYS 8 -2.205 -3.187 -0.888 62 HB2 LYS 8 2HB LYS 8 -2.343 -1.706 1.174 63 HB3 LYS 8 1HB LYS 8 -4.084 -1.954 1.120 64 HG2 LYS 8 2HG LYS 8 -3.723 -4.379 1.343 65 HG3 LYS 8 1HG LYS 8 -1.992 -4.087 1.483 66 HD2 LYS 8 2HD LYS 8 -2.433 -2.687 3.474 67 HD3 LYS 8 1HD LYS 8 -4.141 -3.098 3.348 68 HE2 LYS 8 2HE LYS 8 -1.875 -5.044 3.779 69 HE3 LYS 8 1HE LYS 8 -3.017 -4.498 5.003 70 HZ1 LYS 8 1HZ LYS 8 -4.804 -5.547 3.718 71 HZ2 LYS 8 2HZ LYS 8 -3.606 -6.656 4.139 72 HZ3 LYS 8 3HZ LYS 8 -3.678 -6.080 2.575 73 H LYS 9 H LYS 9 -4.963 -1.672 -1.987 74 HA LYS 9 HA LYS 9 -6.670 -4.030 -1.839 75 HB2 LYS 9 2HB LYS 9 -7.628 -1.835 -1.382 76 HB3 LYS 9 1HB LYS 9 -7.035 -1.256 -2.927 77 HG2 LYS 9 2HG LYS 9 -8.614 -2.662 -4.099 78 HG3 LYS 9 1HG LYS 9 -9.152 -3.363 -2.568 79 HD2 LYS 9 2HD LYS 9 -10.681 -1.592 -3.402 80 HD3 LYS 9 1HD LYS 9 -9.990 -1.224 -1.822 81 HE2 LYS 9 2HE LYS 9 -8.315 0.225 -2.905 82 HE3 LYS 9 1HE LYS 9 -9.036 -0.131 -4.474 83 HZ1 LYS 9 1HZ LYS 9 -9.693 1.978 -3.530 84 HZ2 LYS 9 2HZ LYS 9 -10.391 1.197 -2.206 85 HZ3 LYS 9 3HZ LYS 9 -11.030 0.960 -3.773 86 H ARG 10 H ARG 10 -4.789 -2.139 -4.046 87 HA ARG 10 HA ARG 10 -5.543 -3.465 -6.467 88 HB2 ARG 10 2HB ARG 10 -3.135 -1.801 -5.755 89 HB3 ARG 10 1HB ARG 10 -3.509 -2.291 -7.391 90 HG2 ARG 10 2HG ARG 10 -5.574 -1.022 -7.318 91 HG3 ARG 10 1HG ARG 10 -5.263 -0.610 -5.630 92 HD2 ARG 10 2HD ARG 10 -3.182 0.504 -6.335 93 HD3 ARG 10 1HD ARG 10 -3.619 0.187 -8.013 94 HE ARG 10 HE ARG 10 -5.769 1.453 -6.842 95 HH11 ARG 10 1HH1 ARG 10 -2.407 2.219 -7.622 96 HH12 ARG 10 2HH1 ARG 10 -2.694 3.887 -7.804 97 HH21 ARG 10 1HH2 ARG 10 -6.143 3.762 -7.048 98 HH22 ARG 10 2HH2 ARG 10 -4.855 4.782 -7.485 99 H TYR 11 H TYR 11 -2.966 -3.760 -4.125 100 HA TYR 11 HA TYR 11 -2.155 -6.324 -5.315 101 HB2 TYR 11 2HB TYR 11 -0.518 -4.494 -3.528 102 HB3 TYR 11 1HB TYR 11 0.050 -5.932 -4.357 103 HD1 TYR 11 1HD TYR 11 0.525 -5.847 -6.779 104 HD2 TYR 11 2HD TYR 11 -0.731 -2.396 -4.644 105 HE1 TYR 11 1HE TYR 11 1.288 -4.423 -8.631 106 HE2 TYR 11 2HE TYR 11 0.010 -0.965 -6.478 107 HH TYR 11 HH TYR 11 1.665 -1.088 -8.352 108 HA PRO 12 HA PRO 12 -4.285 -6.692 -1.201 109 HB2 PRO 12 2HB PRO 12 -5.809 -8.822 -1.694 110 HB3 PRO 12 1HB PRO 12 -6.244 -7.206 -2.263 111 HG2 PRO 12 2HG PRO 12 -4.927 -9.442 -3.761 112 HG3 PRO 12 1HG PRO 12 -6.260 -8.396 -4.281 113 HD2 PRO 12 2HD PRO 12 -3.699 -7.971 -5.045 114 HD3 PRO 12 1HD PRO 12 -4.852 -6.650 -4.799 115 H ASN 13 H ASN 13 -2.355 -9.021 -2.891 116 HA ASN 13 HA ASN 13 -2.079 -10.496 -0.362 117 HB2 ASN 13 2HB ASN 13 -1.395 -11.394 -3.179 118 HB3 ASN 13 1HB ASN 13 -0.946 -12.288 -1.740 119 HD21 ASN 13 1HD2 ASN 13 -2.141 -14.064 -2.339 120 HD22 ASN 13 2HD2 ASN 13 -3.868 -14.100 -2.303 121 H CYS 14 H CYS 14 -0.774 -8.041 -1.821 122 HA CYS 14 HA CYS 14 2.018 -8.756 -1.395 123 HB2 CYS 14 2HB CYS 14 0.752 -6.280 -2.529 124 HB3 CYS 14 1HB CYS 14 2.476 -6.590 -2.424 125 H GLU 15 H GLU 15 3.323 -7.070 -0.296 126 HA GLU 15 HA GLU 15 1.845 -6.047 2.012 127 HB2 GLU 15 2HB GLU 15 4.780 -6.654 1.738 128 HB3 GLU 15 1HB GLU 15 3.994 -6.025 3.176 129 HG2 GLU 15 2HG GLU 15 2.620 -8.088 3.247 130 HG3 GLU 15 1HG GLU 15 3.589 -8.710 1.908 131 H VAL 16 H VAL 16 1.327 -4.035 1.611 132 HA VAL 16 HA VAL 16 3.216 -2.281 0.260 133 HB VAL 16 HB VAL 16 0.437 -1.636 1.293 134 HG11 VAL 16 1HG1 VAL 16 0.560 0.284 -0.228 135 HG12 VAL 16 2HG1 VAL 16 2.199 -0.181 -0.679 136 HG13 VAL 16 3HG1 VAL 16 1.850 0.323 0.975 137 HG21 VAL 16 1HG2 VAL 16 1.264 -2.416 -1.503 138 HG22 VAL 16 2HG2 VAL 16 -0.342 -1.876 -1.017 139 HG23 VAL 16 3HG2 VAL 16 0.303 -3.396 -0.397 140 H ARG 17 H ARG 17 4.741 -1.586 1.586 141 HA ARG 17 HA ARG 17 4.162 -1.106 4.362 142 HB2 ARG 17 2HB ARG 17 6.670 -0.712 2.723 143 HB3 ARG 17 1HB ARG 17 6.554 -0.299 4.425 144 HG2 ARG 17 2HG ARG 17 6.043 -2.659 4.933 145 HG3 ARG 17 1HG ARG 17 6.252 -3.046 3.225 146 HD2 ARG 17 2HD ARG 17 8.385 -1.754 4.920 147 HD3 ARG 17 1HD ARG 17 8.254 -3.494 4.694 148 HE ARG 17 HE ARG 17 8.878 -3.246 2.453 149 HH11 ARG 17 1HH1 ARG 17 8.978 -0.100 4.125 150 HH12 ARG 17 2HH1 ARG 17 9.902 0.635 2.901 151 HH21 ARG 17 1HH2 ARG 17 10.236 -2.269 0.915 152 HH22 ARG 17 2HH2 ARG 17 10.681 -0.614 1.060 153 H CYS 18 H CYS 18 3.047 0.570 4.819 154 HA CYS 18 HA CYS 18 3.282 2.990 3.220 155 HB2 CYS 18 2HB CYS 18 1.252 2.242 5.334 156 HB3 CYS 18 1HB CYS 18 1.183 3.646 4.280 157 H ASP 19 H ASP 19 4.730 4.360 3.940 158 HA ASP 19 HA ASP 19 4.799 4.920 6.806 159 HB2 ASP 19 2HB ASP 19 6.864 3.765 6.317 160 HB3 ASP 19 1HB ASP 19 7.154 4.781 4.911 161 HA DPR 20 HA DPR 20 4.470 9.242 5.733 162 HB2 DPR 20 1HB DPR 20 1.546 8.667 5.942 163 HB3 DPR 20 2HB DPR 20 2.502 9.913 6.762 164 HG2 DPR 20 1HG DPR 20 1.774 7.841 8.197 165 HG3 DPR 20 2HG DPR 20 3.505 8.352 8.148 166 HD2 DPR 20 1HD DPR 20 2.268 6.157 6.556 167 HD3 DPR 20 2HD DPR 20 3.603 6.090 7.734 168 HA PRO 21 HA PRO 21 2.664 9.210 1.609 169 HB2 PRO 21 2HB PRO 21 4.456 10.789 0.437 170 HB3 PRO 21 1HB PRO 21 3.300 11.455 1.594 171 HG2 PRO 21 2HG PRO 21 6.189 10.824 1.960 172 HG3 PRO 21 1HG PRO 21 5.238 12.158 2.630 173 HD2 PRO 21 2HD PRO 21 5.902 9.775 3.962 174 HD3 PRO 21 1HD PRO 21 4.660 10.945 4.457 175 H ARG 22 H ARG 22 5.260 7.618 2.864 176 HA ARG 22 HA ARG 22 6.429 6.825 0.303 177 HB2 ARG 22 2HB ARG 22 8.064 7.282 2.035 178 HB3 ARG 22 1HB ARG 22 7.234 6.221 3.157 179 HG2 ARG 22 2HG ARG 22 7.869 4.284 1.888 180 HG3 ARG 22 1HG ARG 22 8.556 5.292 0.619 181 HD2 ARG 22 2HD ARG 22 10.288 4.343 2.068 182 HD3 ARG 22 1HD ARG 22 10.257 6.098 2.139 183 HE ARG 22 HE ARG 22 9.098 5.862 4.302 184 HH11 ARG 22 1HH1 ARG 22 10.615 2.882 3.160 185 HH12 ARG 22 2HH1 ARG 22 11.225 2.447 4.697 186 HH21 ARG 22 1HH2 ARG 22 9.857 5.242 6.367 187 HH22 ARG 22 2HH2 ARG 22 10.753 3.799 6.596 188 H TYR 23 H TYR 23 5.687 5.123 -0.739 189 HA TYR 23 HA TYR 23 4.401 3.004 0.815 190 HB2 TYR 23 2HB TYR 23 3.410 4.030 -1.861 191 HB3 TYR 23 1HB TYR 23 2.682 2.756 -0.886 192 HD1 TYR 23 1HD TYR 23 2.060 3.482 1.556 193 HD2 TYR 23 2HD TYR 23 2.536 6.154 -1.694 194 HE1 TYR 23 1HE TYR 23 0.778 5.174 2.777 195 HE2 TYR 23 2HE TYR 23 1.243 7.861 -0.490 196 HH TYR 23 HH TYR 23 0.665 7.606 2.789 197 H GLU 24 H GLU 24 5.662 1.367 0.630 198 HA GLU 24 HA GLU 24 6.912 0.795 -1.976 199 HB2 GLU 24 2HB GLU 24 7.884 0.107 0.803 200 HB3 GLU 24 1HB GLU 24 8.682 -0.352 -0.692 201 HG2 GLU 24 2HG GLU 24 9.183 1.940 -1.201 202 HG3 GLU 24 1HG GLU 24 8.227 2.500 0.173 203 H VAL 25 H VAL 25 5.838 -0.835 -2.912 204 HA VAL 25 HA VAL 25 4.515 -2.766 -1.178 205 HB VAL 25 HB VAL 25 3.011 -1.693 -2.774 206 HG11 VAL 25 1HG1 VAL 25 4.786 -2.803 -4.932 207 HG12 VAL 25 2HG1 VAL 25 4.487 -1.098 -4.559 208 HG13 VAL 25 3HG1 VAL 25 3.190 -2.103 -5.198 209 HG21 VAL 25 1HG2 VAL 25 2.009 -3.668 -3.814 210 HG22 VAL 25 2HG2 VAL 25 2.527 -4.006 -2.158 211 HG23 VAL 25 3HG2 VAL 25 3.494 -4.570 -3.518 212 H HIS 26 H HIS 26 5.100 -4.769 -0.982 213 HA HIS 26 HA HIS 26 7.157 -5.814 -2.784 214 HB2 HIS 26 2HB HIS 26 6.421 -6.599 0.040 215 HB3 HIS 26 1HB HIS 26 7.530 -7.518 -0.961 216 HD1 HIS 26 1HD HIS 26 9.960 -6.777 -0.913 217 HD2 HIS 26 2HD HIS 26 7.362 -3.977 0.724 218 HE1 HIS 26 1HE HIS 26 11.414 -5.080 0.208 219 H CYS 27 H CYS 27 6.532 -7.325 -4.154 220 HA CYS 27 HA CYS 27 4.175 -8.929 -3.513 221 HB2 CYS 27 2HB CYS 27 4.913 -7.732 -6.188 222 HB3 CYS 27 1HB CYS 27 3.695 -8.983 -5.980 Start of MODEL 2 1 H1 ASN 1 1HT ASN 1 -7.499 9.563 -2.587 2 H2 ASN 1 2HT ASN 1 -6.626 11.007 -2.678 3 H3 ASN 1 3HT ASN 1 -8.289 11.050 -2.794 4 HA ASN 1 HA ASN 1 -7.480 11.819 -0.684 5 HB2 ASN 1 2HB ASN 1 -9.717 10.828 -0.704 6 HB3 ASN 1 1HB ASN 1 -9.030 9.224 -0.548 7 HD21 ASN 1 1HD2 ASN 1 -8.523 8.455 1.448 8 HD22 ASN 1 2HD2 ASN 1 -8.751 9.341 2.907 9 H ASP 2 H ASP 2 -6.893 8.289 -0.902 10 HA ASP 2 HA ASP 2 -4.596 8.731 0.861 11 HB2 ASP 2 2HB ASP 2 -6.605 7.764 2.066 12 HB3 ASP 2 1HB ASP 2 -6.489 6.371 1.001 13 H LYS 3 H LYS 3 -2.832 7.587 0.285 14 HA LYS 3 HA LYS 3 -2.913 6.281 -2.323 15 HB2 LYS 3 2HB LYS 3 -0.557 7.090 -0.612 16 HB3 LYS 3 1HB LYS 3 -0.470 6.470 -2.252 17 HG2 LYS 3 2HG LYS 3 -1.578 8.416 -3.110 18 HG3 LYS 3 1HG LYS 3 -1.860 9.030 -1.478 19 HD2 LYS 3 2HD LYS 3 0.585 9.160 -1.151 20 HD3 LYS 3 1HD LYS 3 0.820 8.624 -2.817 21 HE2 LYS 3 2HE LYS 3 -0.675 11.108 -1.988 22 HE3 LYS 3 1HE LYS 3 0.998 11.096 -2.513 23 HZ1 LYS 3 1HZ LYS 3 -1.332 10.254 -4.162 24 HZ2 LYS 3 2HZ LYS 3 0.285 10.270 -4.656 25 HZ3 LYS 3 3HZ LYS 3 -0.490 11.712 -4.293 26 H CYS 4 H CYS 4 -2.416 5.581 1.035 27 HA CYS 4 HA CYS 4 -1.025 3.128 0.635 28 HB2 CYS 4 2HB CYS 4 -0.715 4.410 2.695 29 HB3 CYS 4 1HB CYS 4 -2.423 4.238 3.074 30 H LYS 5 H LYS 5 -4.328 4.042 1.512 31 HA LYS 5 HA LYS 5 -5.289 1.383 1.679 32 HB2 LYS 5 2HB LYS 5 -6.804 3.951 1.198 33 HB3 LYS 5 1HB LYS 5 -7.571 2.398 1.495 34 HG2 LYS 5 2HG LYS 5 -5.720 3.824 3.396 35 HG3 LYS 5 1HG LYS 5 -7.480 3.788 3.510 36 HD2 LYS 5 2HD LYS 5 -7.435 1.369 3.804 37 HD3 LYS 5 1HD LYS 5 -5.685 1.354 3.612 38 HE2 LYS 5 2HE LYS 5 -5.432 2.692 5.618 39 HE3 LYS 5 1HE LYS 5 -7.184 2.768 5.809 40 HZ1 LYS 5 1HZ LYS 5 -7.232 0.402 6.105 41 HZ2 LYS 5 2HZ LYS 5 -6.141 1.046 7.214 42 HZ3 LYS 5 3HZ LYS 5 -5.590 0.266 5.828 43 H GLU 6 H GLU 6 -4.886 3.537 -0.998 44 HA GLU 6 HA GLU 6 -6.443 2.050 -2.817 45 HB2 GLU 6 2HB GLU 6 -5.707 4.412 -3.174 46 HB3 GLU 6 1HB GLU 6 -4.070 3.814 -3.410 47 HG2 GLU 6 2HG GLU 6 -4.898 2.411 -5.257 48 HG3 GLU 6 1HG GLU 6 -6.474 3.179 -5.078 49 H LEU 7 H LEU 7 -2.945 2.238 -2.171 50 HA LEU 7 HA LEU 7 -2.214 0.200 -3.970 51 HB2 LEU 7 2HB LEU 7 -0.793 1.122 -1.476 52 HB3 LEU 7 1HB LEU 7 -0.093 0.109 -2.719 53 HG LEU 7 HG LEU 7 -0.981 2.974 -3.093 54 HD11 LEU 7 1HD1 LEU 7 1.402 3.440 -3.278 55 HD12 LEU 7 2HD1 LEU 7 1.751 1.751 -2.900 56 HD13 LEU 7 3HD1 LEU 7 0.981 2.785 -1.694 57 HD21 LEU 7 1HD2 LEU 7 0.156 2.827 -5.233 58 HD22 LEU 7 2HD2 LEU 7 -1.185 1.680 -5.158 59 HD23 LEU 7 3HD2 LEU 7 0.482 1.118 -4.959 60 H LYS 8 H LYS 8 -3.202 0.144 -0.637 61 HA LYS 8 HA LYS 8 -2.547 -2.511 0.020 62 HB2 LYS 8 2HB LYS 8 -3.377 -0.477 1.464 63 HB3 LYS 8 1HB LYS 8 -4.970 -1.112 1.103 64 HG2 LYS 8 2HG LYS 8 -4.317 -1.934 3.237 65 HG3 LYS 8 1HG LYS 8 -4.236 -3.288 2.104 66 HD2 LYS 8 2HD LYS 8 -1.845 -3.059 1.915 67 HD3 LYS 8 1HD LYS 8 -1.869 -1.585 2.875 68 HE2 LYS 8 2HE LYS 8 -2.714 -2.932 4.792 69 HE3 LYS 8 1HE LYS 8 -2.520 -4.378 3.805 70 HZ1 LYS 8 1HZ LYS 8 -0.663 -3.937 5.316 71 HZ2 LYS 8 2HZ LYS 8 -0.306 -2.518 4.498 72 HZ3 LYS 8 3HZ LYS 8 -0.132 -4.009 3.731 73 H LYS 9 H LYS 9 -5.263 -1.052 -1.643 74 HA LYS 9 HA LYS 9 -6.833 -3.478 -1.672 75 HB2 LYS 9 2HB LYS 9 -7.926 -1.254 -1.599 76 HB3 LYS 9 1HB LYS 9 -7.231 -0.877 -3.165 77 HG2 LYS 9 2HG LYS 9 -8.509 -2.701 -4.172 78 HG3 LYS 9 1HG LYS 9 -9.209 -3.071 -2.596 79 HD2 LYS 9 2HD LYS 9 -10.174 -0.798 -2.528 80 HD3 LYS 9 1HD LYS 9 -9.505 -0.502 -4.132 81 HE2 LYS 9 2HE LYS 9 -11.867 -1.103 -4.249 82 HE3 LYS 9 1HE LYS 9 -10.850 -2.291 -5.063 83 HZ1 LYS 9 1HZ LYS 9 -11.986 -2.577 -2.329 84 HZ2 LYS 9 2HZ LYS 9 -11.038 -3.716 -3.121 85 HZ3 LYS 9 3HZ LYS 9 -12.562 -3.335 -3.720 86 H ARG 10 H ARG 10 -4.952 -1.554 -3.888 87 HA ARG 10 HA ARG 10 -5.320 -2.987 -6.243 88 HB2 ARG 10 2HB ARG 10 -3.054 -1.305 -5.253 89 HB3 ARG 10 1HB ARG 10 -3.055 -2.023 -6.852 90 HG2 ARG 10 2HG ARG 10 -4.937 -0.755 -7.517 91 HG3 ARG 10 1HG ARG 10 -5.257 -0.267 -5.850 92 HD2 ARG 10 2HD ARG 10 -4.234 1.539 -7.155 93 HD3 ARG 10 1HD ARG 10 -3.247 1.020 -5.791 94 HE ARG 10 HE ARG 10 -2.339 -0.392 -7.942 95 HH11 ARG 10 1HH1 ARG 10 -2.723 3.115 -7.270 96 HH12 ARG 10 2HH1 ARG 10 -1.320 3.533 -8.124 97 HH21 ARG 10 1HH2 ARG 10 -0.398 0.262 -9.093 98 HH22 ARG 10 2HH2 ARG 10 0.015 1.912 -9.183 99 H TYR 11 H TYR 11 -3.014 -3.451 -3.606 100 HA TYR 11 HA TYR 11 -2.138 -5.916 -4.931 101 HB2 TYR 11 2HB TYR 11 -0.449 -4.174 -3.113 102 HB3 TYR 11 1HB TYR 11 0.070 -5.592 -4.014 103 HD1 TYR 11 1HD TYR 11 -0.850 -2.037 -4.269 104 HD2 TYR 11 2HD TYR 11 0.621 -5.425 -6.372 105 HE1 TYR 11 1HE TYR 11 -0.210 -0.583 -6.130 106 HE2 TYR 11 2HE TYR 11 1.282 -3.983 -8.241 107 HH TYR 11 HH TYR 11 0.726 -1.830 -9.166 108 HA PRO 12 HA PRO 12 -3.800 -7.110 -0.773 109 HB2 PRO 12 2HB PRO 12 -5.165 -9.301 -2.081 110 HB3 PRO 12 1HB PRO 12 -5.869 -7.916 -1.248 111 HG2 PRO 12 2HG PRO 12 -6.063 -8.300 -3.944 112 HG3 PRO 12 1HG PRO 12 -6.089 -6.702 -3.180 113 HD2 PRO 12 2HD PRO 12 -3.814 -8.126 -4.511 114 HD3 PRO 12 1HD PRO 12 -4.302 -6.419 -4.646 115 H ASN 13 H ASN 13 -2.297 -8.910 -3.336 116 HA ASN 13 HA ASN 13 -1.674 -11.206 -1.620 117 HB2 ASN 13 2HB ASN 13 -1.205 -10.715 -4.557 118 HB3 ASN 13 1HB ASN 13 -0.778 -12.196 -3.717 119 HD21 ASN 13 1HD2 ASN 13 -2.654 -11.587 -5.939 120 HD22 ASN 13 2HD2 ASN 13 -4.153 -12.273 -5.436 121 H CYS 14 H CYS 14 -0.484 -8.348 -1.877 122 HA CYS 14 HA CYS 14 2.301 -9.194 -1.635 123 HB2 CYS 14 2HB CYS 14 1.348 -6.664 -2.984 124 HB3 CYS 14 1HB CYS 14 3.000 -7.232 -2.844 125 H GLU 15 H GLU 15 3.494 -7.421 -0.384 126 HA GLU 15 HA GLU 15 1.595 -6.187 1.455 127 HB2 GLU 15 2HB GLU 15 3.035 -7.795 2.595 128 HB3 GLU 15 1HB GLU 15 4.462 -6.973 1.978 129 HG2 GLU 15 2HG GLU 15 4.098 -6.347 4.283 130 HG3 GLU 15 1HG GLU 15 3.840 -4.955 3.237 131 H VAL 16 H VAL 16 1.360 -4.143 1.186 132 HA VAL 16 HA VAL 16 3.602 -2.633 0.146 133 HB VAL 16 HB VAL 16 1.556 -2.268 -1.156 134 HG11 VAL 16 1HG1 VAL 16 0.289 -1.349 1.403 135 HG12 VAL 16 2HG1 VAL 16 -0.106 -2.805 0.485 136 HG13 VAL 16 3HG1 VAL 16 -0.423 -1.212 -0.207 137 HG21 VAL 16 1HG2 VAL 16 2.254 0.134 0.529 138 HG22 VAL 16 2HG2 VAL 16 1.397 0.185 -1.011 139 HG23 VAL 16 3HG2 VAL 16 3.067 -0.382 -0.949 140 H ARG 17 H ARG 17 4.780 -1.614 1.374 141 HA ARG 17 HA ARG 17 4.096 -1.361 4.180 142 HB2 ARG 17 2HB ARG 17 6.619 -0.530 2.781 143 HB3 ARG 17 1HB ARG 17 6.392 -0.828 4.495 144 HG2 ARG 17 2HG ARG 17 6.071 -3.196 4.050 145 HG3 ARG 17 1HG ARG 17 6.277 -2.899 2.320 146 HD2 ARG 17 2HD ARG 17 8.362 -3.654 3.132 147 HD3 ARG 17 1HD ARG 17 8.516 -1.924 2.856 148 HE ARG 17 HE ARG 17 8.241 -3.235 5.457 149 HH11 ARG 17 1HH1 ARG 17 9.068 -0.282 3.619 150 HH12 ARG 17 2HH1 ARG 17 9.922 0.400 4.908 151 HH21 ARG 17 1HH2 ARG 17 9.423 -2.263 7.179 152 HH22 ARG 17 2HH2 ARG 17 10.154 -0.739 6.986 153 H CYS 18 H CYS 18 3.106 0.408 4.770 154 HA CYS 18 HA CYS 18 3.537 2.879 3.262 155 HB2 CYS 18 2HB CYS 18 1.359 2.180 5.243 156 HB3 CYS 18 1HB CYS 18 1.458 3.647 4.280 157 H ASP 19 H ASP 19 5.145 3.981 4.179 158 HA ASP 19 HA ASP 19 4.953 4.486 7.034 159 HB2 ASP 19 2HB ASP 19 7.497 3.813 5.550 160 HB3 ASP 19 1HB ASP 19 7.499 4.611 7.103 161 HA DPR 20 HA DPR 20 5.995 8.742 6.165 162 HB2 DPR 20 1HB DPR 20 3.025 8.863 6.535 163 HB3 DPR 20 2HB DPR 20 4.283 9.910 7.212 164 HG2 DPR 20 1HG DPR 20 3.284 8.109 8.821 165 HG3 DPR 20 2HG DPR 20 5.070 8.199 8.584 166 HD2 DPR 20 1HD DPR 20 3.189 6.294 7.262 167 HD3 DPR 20 2HD DPR 20 4.628 5.965 8.261 168 HA PRO 21 HA PRO 21 4.015 9.467 2.187 169 HB2 PRO 21 2HB PRO 21 6.056 10.704 1.021 170 HB3 PRO 21 1HB PRO 21 5.161 11.502 2.322 171 HG2 PRO 21 2HG PRO 21 7.812 10.126 2.414 172 HG3 PRO 21 1HG PRO 21 7.302 11.634 3.192 173 HD2 PRO 21 2HD PRO 21 7.392 9.141 4.428 174 HD3 PRO 21 1HD PRO 21 6.446 10.533 4.996 175 H ARG 22 H ARG 22 6.177 7.196 3.173 176 HA ARG 22 HA ARG 22 6.972 6.463 0.464 177 HB2 ARG 22 2HB ARG 22 8.841 6.587 2.012 178 HB3 ARG 22 1HB ARG 22 8.043 5.471 3.110 179 HG2 ARG 22 2HG ARG 22 9.788 4.332 1.841 180 HG3 ARG 22 1HG ARG 22 8.195 3.697 1.430 181 HD2 ARG 22 2HD ARG 22 8.187 5.219 -0.551 182 HD3 ARG 22 1HD ARG 22 9.858 5.635 -0.176 183 HE ARG 22 HE ARG 22 9.708 2.894 -0.292 184 HH11 ARG 22 1HH1 ARG 22 9.207 5.637 -2.515 185 HH12 ARG 22 2HH1 ARG 22 9.584 4.768 -3.924 186 HH21 ARG 22 1HH2 ARG 22 10.228 1.689 -2.304 187 HH22 ARG 22 2HH2 ARG 22 10.122 2.470 -3.804 188 H TYR 23 H TYR 23 6.124 4.760 -0.540 189 HA TYR 23 HA TYR 23 4.752 2.715 1.036 190 HB2 TYR 23 2HB TYR 23 3.727 3.774 -1.605 191 HB3 TYR 23 1HB TYR 23 2.918 2.685 -0.493 192 HD1 TYR 23 1HD TYR 23 3.371 6.052 -1.520 193 HD2 TYR 23 2HD TYR 23 2.163 3.652 1.752 194 HE1 TYR 23 1HE TYR 23 2.263 7.996 -0.528 195 HE2 TYR 23 2HE TYR 23 1.037 5.590 2.767 196 HH TYR 23 HH TYR 23 1.203 8.033 2.660 197 H GLU 24 H GLU 24 5.921 0.906 0.562 198 HA GLU 24 HA GLU 24 6.395 0.509 -2.293 199 HB2 GLU 24 2HB GLU 24 8.495 -0.740 -1.965 200 HB3 GLU 24 1HB GLU 24 8.632 0.929 -1.470 201 HG2 GLU 24 2HG GLU 24 8.094 -1.186 0.569 202 HG3 GLU 24 1HG GLU 24 9.716 -0.991 -0.081 203 H VAL 25 H VAL 25 5.834 -1.356 -3.185 204 HA VAL 25 HA VAL 25 4.611 -3.209 -1.308 205 HB VAL 25 HB VAL 25 3.004 -2.137 -2.836 206 HG11 VAL 25 1HG1 VAL 25 4.361 -1.757 -4.778 207 HG12 VAL 25 2HG1 VAL 25 2.940 -2.709 -5.217 208 HG13 VAL 25 3HG1 VAL 25 4.514 -3.492 -5.044 209 HG21 VAL 25 1HG2 VAL 25 1.887 -4.163 -3.616 210 HG22 VAL 25 2HG2 VAL 25 2.506 -4.327 -1.971 211 HG23 VAL 25 3HG2 VAL 25 3.366 -5.074 -3.318 212 H HIS 26 H HIS 26 5.396 -5.068 -1.013 213 HA HIS 26 HA HIS 26 7.310 -6.164 -2.949 214 HB2 HIS 26 2HB HIS 26 7.006 -6.734 0.014 215 HB3 HIS 26 1HB HIS 26 8.202 -7.459 -1.051 216 HD1 HIS 26 1HD HIS 26 8.611 -5.491 1.592 217 HD2 HIS 26 2HD HIS 26 9.239 -4.641 -2.428 218 HE1 HIS 26 1HE HIS 26 10.255 -3.607 1.539 219 H CYS 27 H CYS 27 6.657 -7.946 -3.992 220 HA CYS 27 HA CYS 27 4.253 -9.300 -3.023 221 HB2 CYS 27 2HB CYS 27 5.512 -9.217 -5.767 222 HB3 CYS 27 1HB CYS 27 4.109 -10.193 -5.351 Start of MODEL 3 1 H1 ASN 1 1HT ASN 1 -2.273 10.153 0.890 2 H2 ASN 1 2HT ASN 1 -0.868 9.200 1.014 3 H3 ASN 1 3HT ASN 1 -0.931 10.707 1.735 4 HA ASN 1 HA ASN 1 -1.130 8.925 3.326 5 HB2 ASN 1 2HB ASN 1 -3.598 10.641 2.988 6 HB3 ASN 1 1HB ASN 1 -3.224 9.724 4.444 7 HD21 ASN 1 1HD2 ASN 1 -3.565 12.591 4.073 8 HD22 ASN 1 2HD2 ASN 1 -2.085 13.306 4.602 9 H ASP 2 H ASP 2 -4.296 9.133 1.672 10 HA ASP 2 HA ASP 2 -4.958 6.491 2.513 11 HB2 ASP 2 2HB ASP 2 -6.406 8.468 0.776 12 HB3 ASP 2 1HB ASP 2 -6.992 6.824 0.973 13 H LYS 3 H LYS 3 -3.104 7.470 0.107 14 HA LYS 3 HA LYS 3 -3.767 5.751 -2.033 15 HB2 LYS 3 2HB LYS 3 -1.038 6.746 -1.231 16 HB3 LYS 3 1HB LYS 3 -1.411 5.952 -2.754 17 HG2 LYS 3 2HG LYS 3 -2.990 7.767 -3.266 18 HG3 LYS 3 1HG LYS 3 -2.492 8.567 -1.775 19 HD2 LYS 3 2HD LYS 3 -0.220 8.698 -2.577 20 HD3 LYS 3 1HD LYS 3 -0.671 7.845 -4.052 21 HE2 LYS 3 2HE LYS 3 -2.228 9.638 -4.610 22 HE3 LYS 3 1HE LYS 3 -1.755 10.507 -3.150 23 HZ1 LYS 3 1HZ LYS 3 -0.611 11.341 -5.087 24 HZ2 LYS 3 2HZ LYS 3 0.056 9.805 -5.388 25 HZ3 LYS 3 3HZ LYS 3 0.478 10.655 -4.003 26 H CYS 4 H CYS 4 -2.144 5.191 0.953 27 HA CYS 4 HA CYS 4 -0.892 2.741 0.458 28 HB2 CYS 4 2HB CYS 4 -0.659 4.143 2.513 29 HB3 CYS 4 1HB CYS 4 -2.275 3.635 2.990 30 H LYS 5 H LYS 5 -4.197 3.604 1.147 31 HA LYS 5 HA LYS 5 -5.089 0.918 1.648 32 HB2 LYS 5 2HB LYS 5 -6.738 3.400 1.177 33 HB3 LYS 5 1HB LYS 5 -7.229 1.933 2.017 34 HG2 LYS 5 2HG LYS 5 -5.632 2.397 3.800 35 HG3 LYS 5 1HG LYS 5 -5.098 3.846 2.952 36 HD2 LYS 5 2HD LYS 5 -7.425 4.699 3.103 37 HD3 LYS 5 1HD LYS 5 -7.820 3.316 4.127 38 HE2 LYS 5 2HE LYS 5 -5.780 5.469 4.689 39 HE3 LYS 5 1HE LYS 5 -7.338 5.273 5.480 40 HZ1 LYS 5 1HZ LYS 5 -5.017 3.434 5.659 41 HZ2 LYS 5 2HZ LYS 5 -6.521 3.106 6.314 42 HZ3 LYS 5 3HZ LYS 5 -5.626 4.416 6.876 43 H GLU 6 H GLU 6 -4.928 3.188 -0.985 44 HA GLU 6 HA GLU 6 -6.652 1.795 -2.773 45 HB2 GLU 6 2HB GLU 6 -4.325 3.633 -3.405 46 HB3 GLU 6 1HB GLU 6 -5.536 3.101 -4.553 47 HG2 GLU 6 2HG GLU 6 -7.244 4.302 -3.280 48 HG3 GLU 6 1HG GLU 6 -6.002 4.857 -2.155 49 H LEU 7 H LEU 7 -3.160 2.003 -2.362 50 HA LEU 7 HA LEU 7 -2.495 0.172 -4.377 51 HB2 LEU 7 2HB LEU 7 -0.873 1.007 -1.986 52 HB3 LEU 7 1HB LEU 7 -0.249 0.148 -3.378 53 HG LEU 7 HG LEU 7 -1.322 2.969 -3.342 54 HD11 LEU 7 1HD1 LEU 7 0.853 2.769 -2.342 55 HD12 LEU 7 2HD1 LEU 7 0.966 3.584 -3.902 56 HD13 LEU 7 3HD1 LEU 7 1.447 1.893 -3.751 57 HD21 LEU 7 1HD2 LEU 7 -0.544 3.075 -5.683 58 HD22 LEU 7 2HD2 LEU 7 -1.896 1.984 -5.442 59 HD23 LEU 7 3HD2 LEU 7 -0.264 1.330 -5.646 60 H LYS 8 H LYS 8 -3.141 -0.325 -0.926 61 HA LYS 8 HA LYS 8 -2.194 -2.964 -0.840 62 HB2 LYS 8 2HB LYS 8 -2.751 -1.654 1.177 63 HB3 LYS 8 1HB LYS 8 -4.463 -1.788 0.785 64 HG2 LYS 8 2HG LYS 8 -3.969 -3.409 2.469 65 HG3 LYS 8 1HG LYS 8 -4.224 -4.272 0.950 66 HD2 LYS 8 2HD LYS 8 -1.712 -4.260 0.650 67 HD3 LYS 8 1HD LYS 8 -1.597 -3.649 2.300 68 HE2 LYS 8 2HE LYS 8 -1.289 -6.001 2.399 69 HE3 LYS 8 1HE LYS 8 -2.902 -5.674 3.020 70 HZ1 LYS 8 1HZ LYS 8 -2.214 -6.625 0.308 71 HZ2 LYS 8 2HZ LYS 8 -3.793 -6.283 0.813 72 HZ3 LYS 8 3HZ LYS 8 -2.926 -7.546 1.526 73 H LYS 9 H LYS 9 -5.219 -1.645 -1.959 74 HA LYS 9 HA LYS 9 -6.452 -4.227 -2.244 75 HB2 LYS 9 2HB LYS 9 -7.856 -2.286 -1.784 76 HB3 LYS 9 1HB LYS 9 -7.281 -1.494 -3.240 77 HG2 LYS 9 2HG LYS 9 -9.530 -2.384 -3.573 78 HG3 LYS 9 1HG LYS 9 -8.371 -3.204 -4.608 79 HD2 LYS 9 2HD LYS 9 -8.318 -5.107 -3.106 80 HD3 LYS 9 1HD LYS 9 -9.389 -4.276 -1.976 81 HE2 LYS 9 2HE LYS 9 -10.088 -5.049 -4.810 82 HE3 LYS 9 1HE LYS 9 -10.573 -5.934 -3.366 83 HZ1 LYS 9 1HZ LYS 9 -11.799 -3.964 -2.635 84 HZ2 LYS 9 2HZ LYS 9 -12.351 -4.500 -4.121 85 HZ3 LYS 9 3HZ LYS 9 -11.380 -3.138 -4.039 86 H ARG 10 H ARG 10 -4.777 -1.901 -4.261 87 HA ARG 10 HA ARG 10 -5.281 -3.124 -6.759 88 HB2 ARG 10 2HB ARG 10 -2.894 -1.475 -5.940 89 HB3 ARG 10 1HB ARG 10 -3.344 -1.887 -7.584 90 HG2 ARG 10 2HG ARG 10 -5.421 -0.596 -7.318 91 HG3 ARG 10 1HG ARG 10 -4.909 -0.156 -5.686 92 HD2 ARG 10 2HD ARG 10 -2.830 0.791 -6.687 93 HD3 ARG 10 1HD ARG 10 -3.528 0.506 -8.269 94 HE ARG 10 HE ARG 10 -5.354 1.986 -6.774 95 HH11 ARG 10 1HH1 ARG 10 -2.214 2.381 -8.366 96 HH12 ARG 10 2HH1 ARG 10 -2.385 4.068 -8.543 97 HH21 ARG 10 1HH2 ARG 10 -5.530 4.314 -6.989 98 HH22 ARG 10 2HH2 ARG 10 -4.258 5.181 -7.733 99 H TYR 11 H TYR 11 -2.832 -3.617 -4.319 100 HA TYR 11 HA TYR 11 -1.902 -5.993 -5.785 101 HB2 TYR 11 2HB TYR 11 -0.403 -4.392 -3.673 102 HB3 TYR 11 1HB TYR 11 0.236 -5.758 -4.569 103 HD1 TYR 11 1HD TYR 11 -0.714 -2.219 -4.745 104 HD2 TYR 11 2HD TYR 11 1.084 -5.454 -6.832 105 HE1 TYR 11 1HE TYR 11 0.141 -0.647 -6.414 106 HE2 TYR 11 2HE TYR 11 1.946 -3.889 -8.516 107 HH TYR 11 HH TYR 11 1.837 -0.477 -8.063 108 HA PRO 12 HA PRO 12 -4.495 -6.948 -2.046 109 HB2 PRO 12 2HB PRO 12 -5.585 -9.256 -2.989 110 HB3 PRO 12 1HB PRO 12 -6.240 -7.653 -3.334 111 HG2 PRO 12 2HG PRO 12 -4.460 -9.374 -5.014 112 HG3 PRO 12 1HG PRO 12 -5.882 -8.432 -5.499 113 HD2 PRO 12 2HD PRO 12 -3.397 -7.534 -5.938 114 HD3 PRO 12 1HD PRO 12 -4.715 -6.435 -5.501 115 H ASN 13 H ASN 13 -2.295 -9.097 -3.737 116 HA ASN 13 HA ASN 13 -2.138 -10.780 -1.335 117 HB2 ASN 13 2HB ASN 13 -1.002 -11.289 -4.100 118 HB3 ASN 13 1HB ASN 13 -0.872 -12.384 -2.731 119 HD21 ASN 13 1HD2 ASN 13 -2.105 -12.888 -5.297 120 HD22 ASN 13 2HD2 ASN 13 -3.751 -13.264 -4.965 121 H CYS 14 H CYS 14 -0.858 -8.063 -2.104 122 HA CYS 14 HA CYS 14 1.824 -8.809 -1.210 123 HB2 CYS 14 2HB CYS 14 1.041 -6.462 -2.926 124 HB3 CYS 14 1HB CYS 14 2.668 -6.932 -2.466 125 H GLU 15 H GLU 15 2.854 -6.980 -0.068 126 HA GLU 15 HA GLU 15 0.932 -5.591 1.656 127 HB2 GLU 15 2HB GLU 15 3.784 -6.445 2.080 128 HB3 GLU 15 1HB GLU 15 2.952 -5.319 3.140 129 HG2 GLU 15 2HG GLU 15 2.098 -8.121 2.557 130 HG3 GLU 15 1HG GLU 15 2.969 -7.590 4.002 131 H VAL 16 H VAL 16 1.004 -3.442 1.708 132 HA VAL 16 HA VAL 16 3.138 -2.168 0.194 133 HB VAL 16 HB VAL 16 0.415 -0.999 0.873 134 HG11 VAL 16 1HG1 VAL 16 2.584 -0.042 -0.998 135 HG12 VAL 16 2HG1 VAL 16 2.169 0.671 0.559 136 HG13 VAL 16 3HG1 VAL 16 1.012 0.726 -0.771 137 HG21 VAL 16 1HG2 VAL 16 -0.164 -1.332 -1.486 138 HG22 VAL 16 2HG2 VAL 16 0.169 -2.869 -0.686 139 HG23 VAL 16 3HG2 VAL 16 1.377 -2.150 -1.748 140 H ARG 17 H ARG 17 4.621 -1.606 1.537 141 HA ARG 17 HA ARG 17 3.985 -0.922 4.262 142 HB2 ARG 17 2HB ARG 17 6.626 -1.086 2.795 143 HB3 ARG 17 1HB ARG 17 6.476 -0.646 4.493 144 HG2 ARG 17 2HG ARG 17 5.390 -2.826 4.918 145 HG3 ARG 17 1HG ARG 17 5.677 -3.260 3.236 146 HD2 ARG 17 2HD ARG 17 7.819 -2.546 5.228 147 HD3 ARG 17 1HD ARG 17 7.355 -4.187 4.815 148 HE ARG 17 HE ARG 17 8.513 -2.270 2.893 149 HH11 ARG 17 1HH1 ARG 17 8.099 -5.597 4.023 150 HH12 ARG 17 2HH1 ARG 17 9.409 -6.214 3.146 151 HH21 ARG 17 1HH2 ARG 17 10.256 -3.104 1.661 152 HH22 ARG 17 2HH2 ARG 17 10.683 -4.771 1.736 153 H CYS 18 H CYS 18 3.355 0.950 4.732 154 HA CYS 18 HA CYS 18 3.948 3.149 2.904 155 HB2 CYS 18 2HB CYS 18 1.640 2.813 4.789 156 HB3 CYS 18 1HB CYS 18 1.836 4.044 3.542 157 H ASP 19 H ASP 19 5.007 4.771 3.646 158 HA ASP 19 HA ASP 19 4.942 5.403 6.502 159 HB2 ASP 19 2HB ASP 19 7.419 5.599 4.729 160 HB3 ASP 19 1HB ASP 19 7.296 6.246 6.350 161 HA DPR 20 HA DPR 20 4.089 9.580 5.168 162 HB2 DPR 20 1HB DPR 20 1.244 8.693 5.069 163 HB3 DPR 20 2HB DPR 20 1.975 10.004 6.009 164 HG2 DPR 20 1HG DPR 20 1.295 7.839 7.324 165 HG3 DPR 20 2HG DPR 20 2.956 8.525 7.489 166 HD2 DPR 20 1HD DPR 20 2.163 6.271 5.700 167 HD3 DPR 20 2HD DPR 20 3.317 6.272 7.057 168 HA PRO 21 HA PRO 21 2.814 9.422 0.854 169 HB2 PRO 21 2HB PRO 21 4.845 10.824 -0.165 170 HB3 PRO 21 1HB PRO 21 3.608 11.617 0.816 171 HG2 PRO 21 2HG PRO 21 6.379 10.797 1.558 172 HG3 PRO 21 1HG PRO 21 5.473 12.242 2.038 173 HD2 PRO 21 2HD PRO 21 5.784 9.945 3.583 174 HD3 PRO 21 1HD PRO 21 4.530 11.180 3.814 175 H ARG 22 H ARG 22 5.208 7.758 2.394 176 HA ARG 22 HA ARG 22 6.552 6.776 -0.038 177 HB2 ARG 22 2HB ARG 22 7.943 7.246 1.936 178 HB3 ARG 22 1HB ARG 22 6.991 6.094 2.865 179 HG2 ARG 22 2HG ARG 22 7.720 4.339 1.214 180 HG3 ARG 22 1HG ARG 22 8.849 5.534 0.575 181 HD2 ARG 22 2HD ARG 22 9.835 5.750 2.820 182 HD3 ARG 22 1HD ARG 22 8.746 4.483 3.393 183 HE ARG 22 HE ARG 22 10.468 3.927 1.138 184 HH11 ARG 22 1HH1 ARG 22 9.558 3.190 4.520 185 HH12 ARG 22 2HH1 ARG 22 10.818 2.084 4.746 186 HH21 ARG 22 1HH2 ARG 22 12.127 2.300 1.445 187 HH22 ARG 22 2HH2 ARG 22 12.282 1.522 2.950 188 H TYR 23 H TYR 23 5.886 4.957 -1.012 189 HA TYR 23 HA TYR 23 4.354 3.030 0.572 190 HB2 TYR 23 2HB TYR 23 3.585 3.896 -2.235 191 HB3 TYR 23 1HB TYR 23 2.731 2.742 -1.216 192 HD1 TYR 23 1HD TYR 23 2.776 6.059 -2.329 193 HD2 TYR 23 2HD TYR 23 1.984 3.735 1.127 194 HE1 TYR 23 1HE TYR 23 1.497 7.924 -1.376 195 HE2 TYR 23 2HE TYR 23 0.698 5.580 2.084 196 HH TYR 23 HH TYR 23 0.819 8.025 1.818 197 H GLU 24 H GLU 24 5.627 1.323 0.560 198 HA GLU 24 HA GLU 24 6.929 0.597 -1.963 199 HB2 GLU 24 2HB GLU 24 8.557 1.159 -0.239 200 HB3 GLU 24 1HB GLU 24 7.804 0.022 0.870 201 HG2 GLU 24 2HG GLU 24 8.389 -1.817 -0.634 202 HG3 GLU 24 1HG GLU 24 9.173 -0.668 -1.714 203 H VAL 25 H VAL 25 5.905 -0.999 -2.874 204 HA VAL 25 HA VAL 25 4.369 -2.813 -1.231 205 HB VAL 25 HB VAL 25 3.190 -1.932 -3.144 206 HG11 VAL 25 1HG1 VAL 25 5.342 -3.162 -4.858 207 HG12 VAL 25 2HG1 VAL 25 5.018 -1.442 -4.635 208 HG13 VAL 25 3HG1 VAL 25 3.842 -2.462 -5.467 209 HG21 VAL 25 1HG2 VAL 25 2.442 -4.008 -4.243 210 HG22 VAL 25 2HG2 VAL 25 2.589 -4.183 -2.494 211 HG23 VAL 25 3HG2 VAL 25 3.831 -4.850 -3.553 212 H HIS 26 H HIS 26 4.795 -4.822 -0.871 213 HA HIS 26 HA HIS 26 7.117 -6.094 -2.130 214 HB2 HIS 26 2HB HIS 26 7.739 -5.275 0.123 215 HB3 HIS 26 1HB HIS 26 6.344 -6.092 0.808 216 HD1 HIS 26 1HD HIS 26 6.590 -8.611 1.314 217 HD2 HIS 26 2HD HIS 26 9.865 -6.955 -0.643 218 HE1 HIS 26 1HE HIS 26 8.416 -10.347 1.416 219 H CYS 27 H CYS 27 6.607 -8.113 -2.827 220 HA CYS 27 HA CYS 27 4.037 -9.201 -1.952 221 HB2 CYS 27 2HB CYS 27 5.524 -9.705 -4.546 222 HB3 CYS 27 1HB CYS 27 3.969 -10.390 -4.102 Start of MODEL 4 1 H1 ASN 1 1HT ASN 1 -7.978 10.706 -0.721 2 H2 ASN 1 2HT ASN 1 -9.396 10.013 -1.325 3 H3 ASN 1 3HT ASN 1 -7.905 9.827 -2.141 4 HA ASN 1 HA ASN 1 -8.413 8.733 0.545 5 HB2 ASN 1 2HB ASN 1 -9.566 7.643 -1.578 6 HB3 ASN 1 1HB ASN 1 -7.927 7.212 -2.034 7 HD21 ASN 1 1HD2 ASN 1 -10.074 5.410 -1.514 8 HD22 ASN 1 2HD2 ASN 1 -9.628 4.451 -0.167 9 H ASP 2 H ASP 2 -6.474 7.631 1.284 10 HA ASP 2 HA ASP 2 -4.145 8.947 0.210 11 HB2 ASP 2 2HB ASP 2 -4.333 8.526 2.679 12 HB3 ASP 2 1HB ASP 2 -4.198 6.796 2.352 13 H LYS 3 H LYS 3 -2.410 7.948 -0.721 14 HA LYS 3 HA LYS 3 -2.927 6.161 -2.764 15 HB2 LYS 3 2HB LYS 3 -0.251 6.607 -1.438 16 HB3 LYS 3 1HB LYS 3 -0.541 6.065 -3.083 17 HG2 LYS 3 2HG LYS 3 -1.502 8.234 -3.643 18 HG3 LYS 3 1HG LYS 3 -1.269 8.770 -1.982 19 HD2 LYS 3 2HD LYS 3 0.488 9.660 -3.388 20 HD3 LYS 3 1HD LYS 3 1.166 8.477 -2.271 21 HE2 LYS 3 2HE LYS 3 1.253 6.812 -3.986 22 HE3 LYS 3 1HE LYS 3 0.381 7.849 -5.110 23 HZ1 LYS 3 1HZ LYS 3 2.282 9.375 -5.057 24 HZ2 LYS 3 2HZ LYS 3 2.736 7.828 -5.562 25 HZ3 LYS 3 3HZ LYS 3 3.090 8.331 -4.005 26 H CYS 4 H CYS 4 -1.819 5.604 0.533 27 HA CYS 4 HA CYS 4 -0.890 2.983 0.279 28 HB2 CYS 4 2HB CYS 4 -0.467 4.354 2.270 29 HB3 CYS 4 1HB CYS 4 -2.183 4.297 2.668 30 H LYS 5 H LYS 5 -4.098 4.232 1.062 31 HA LYS 5 HA LYS 5 -5.113 1.642 1.660 32 HB2 LYS 5 2HB LYS 5 -6.636 4.200 1.174 33 HB3 LYS 5 1HB LYS 5 -7.257 2.739 1.938 34 HG2 LYS 5 2HG LYS 5 -5.560 2.994 3.717 35 HG3 LYS 5 1HG LYS 5 -5.067 4.518 2.991 36 HD2 LYS 5 2HD LYS 5 -6.539 4.996 4.819 37 HD3 LYS 5 1HD LYS 5 -7.400 5.342 3.319 38 HE2 LYS 5 2HE LYS 5 -8.826 4.176 4.918 39 HE3 LYS 5 1HE LYS 5 -8.561 3.200 3.480 40 HZ1 LYS 5 1HZ LYS 5 -7.147 2.870 6.078 41 HZ2 LYS 5 2HZ LYS 5 -6.889 1.929 4.716 42 HZ3 LYS 5 3HZ LYS 5 -8.382 1.886 5.491 43 H GLU 6 H GLU 6 -4.869 3.579 -1.149 44 HA GLU 6 HA GLU 6 -6.735 2.002 -2.642 45 HB2 GLU 6 2HB GLU 6 -4.640 3.936 -3.639 46 HB3 GLU 6 1HB GLU 6 -5.937 3.243 -4.602 47 HG2 GLU 6 2HG GLU 6 -7.530 4.330 -2.930 48 HG3 GLU 6 1HG GLU 6 -6.128 5.235 -2.372 49 H LEU 7 H LEU 7 -3.258 2.114 -2.181 50 HA LEU 7 HA LEU 7 -2.593 0.143 -4.090 51 HB2 LEU 7 2HB LEU 7 -1.142 1.036 -1.610 52 HB3 LEU 7 1HB LEU 7 -0.467 -0.084 -2.776 53 HG LEU 7 HG LEU 7 -1.189 2.801 -3.294 54 HD11 LEU 7 1HD1 LEU 7 1.489 1.449 -3.053 55 HD12 LEU 7 2HD1 LEU 7 0.776 2.569 -1.892 56 HD13 LEU 7 3HD1 LEU 7 1.219 3.132 -3.502 57 HD21 LEU 7 1HD2 LEU 7 -1.514 1.469 -5.289 58 HD22 LEU 7 2HD2 LEU 7 0.080 0.738 -5.087 59 HD23 LEU 7 3HD2 LEU 7 -0.064 2.457 -5.449 60 H LYS 8 H LYS 8 -3.527 -0.058 -0.678 61 HA LYS 8 HA LYS 8 -2.996 -2.768 -0.297 62 HB2 LYS 8 2HB LYS 8 -5.111 -0.995 0.927 63 HB3 LYS 8 1HB LYS 8 -4.794 -2.635 1.451 64 HG2 LYS 8 2HG LYS 8 -2.878 -0.307 1.593 65 HG3 LYS 8 1HG LYS 8 -3.745 -1.038 2.945 66 HD2 LYS 8 2HD LYS 8 -2.564 -3.178 2.454 67 HD3 LYS 8 1HD LYS 8 -1.618 -2.329 1.235 68 HE2 LYS 8 2HE LYS 8 -0.312 -2.445 3.247 69 HE3 LYS 8 1HE LYS 8 -0.840 -0.778 3.035 70 HZ1 LYS 8 1HZ LYS 8 -1.095 -1.507 5.326 71 HZ2 LYS 8 2HZ LYS 8 -2.091 -2.768 4.857 72 HZ3 LYS 8 3HZ LYS 8 -2.608 -1.187 4.664 73 H LYS 9 H LYS 9 -5.737 -1.155 -1.862 74 HA LYS 9 HA LYS 9 -7.323 -3.463 -2.068 75 HB2 LYS 9 2HB LYS 9 -7.291 -0.836 -3.527 76 HB3 LYS 9 1HB LYS 9 -8.560 -2.042 -3.631 77 HG2 LYS 9 2HG LYS 9 -9.030 -1.763 -1.260 78 HG3 LYS 9 1HG LYS 9 -7.731 -0.580 -1.141 79 HD2 LYS 9 2HD LYS 9 -8.909 0.874 -2.723 80 HD3 LYS 9 1HD LYS 9 -10.213 -0.311 -2.837 81 HE2 LYS 9 2HE LYS 9 -9.355 1.124 -0.324 82 HE3 LYS 9 1HE LYS 9 -10.770 1.523 -1.297 83 HZ1 LYS 9 1HZ LYS 9 -10.328 -1.057 0.127 84 HZ2 LYS 9 2HZ LYS 9 -11.657 -0.678 -0.818 85 HZ3 LYS 9 3HZ LYS 9 -11.376 0.183 0.601 86 H ARG 10 H ARG 10 -5.074 -1.694 -4.127 87 HA ARG 10 HA ARG 10 -5.388 -3.213 -6.471 88 HB2 ARG 10 2HB ARG 10 -3.057 -1.595 -5.484 89 HB3 ARG 10 1HB ARG 10 -3.076 -2.368 -7.052 90 HG2 ARG 10 2HG ARG 10 -5.074 -1.014 -7.635 91 HG3 ARG 10 1HG ARG 10 -4.921 -0.202 -6.072 92 HD2 ARG 10 2HD ARG 10 -2.693 0.568 -6.665 93 HD3 ARG 10 1HD ARG 10 -2.788 -0.272 -8.207 94 HE ARG 10 HE ARG 10 -4.958 1.442 -8.019 95 HH11 ARG 10 1HH1 ARG 10 -1.425 1.634 -8.358 96 HH12 ARG 10 2HH1 ARG 10 -1.435 3.143 -9.125 97 HH21 ARG 10 1HH2 ARG 10 -4.964 3.560 -9.090 98 HH22 ARG 10 2HH2 ARG 10 -3.486 4.265 -9.549 99 H TYR 11 H TYR 11 -3.141 -3.596 -3.758 100 HA TYR 11 HA TYR 11 -2.370 -6.192 -4.908 101 HB2 TYR 11 2HB TYR 11 -0.679 -4.443 -3.108 102 HB3 TYR 11 1HB TYR 11 -0.216 -5.962 -3.852 103 HD1 TYR 11 1HD TYR 11 0.514 -6.029 -6.168 104 HD2 TYR 11 2HD TYR 11 -0.812 -2.396 -4.410 105 HE1 TYR 11 1HE TYR 11 1.497 -4.779 -8.030 106 HE2 TYR 11 2HE TYR 11 0.156 -1.126 -6.266 107 HH TYR 11 HH TYR 11 1.301 -2.641 -9.123 108 HA PRO 12 HA PRO 12 -4.185 -7.032 -0.747 109 HB2 PRO 12 2HB PRO 12 -5.616 -9.205 -1.405 110 HB3 PRO 12 1HB PRO 12 -6.208 -7.567 -1.710 111 HG2 PRO 12 2HG PRO 12 -4.946 -9.514 -3.592 112 HG3 PRO 12 1HG PRO 12 -6.339 -8.453 -3.856 113 HD2 PRO 12 2HD PRO 12 -3.809 -7.878 -4.740 114 HD3 PRO 12 1HD PRO 12 -5.017 -6.643 -4.356 115 H ASN 13 H ASN 13 -2.302 -8.875 -2.967 116 HA ASN 13 HA ASN 13 -1.684 -10.852 -0.883 117 HB2 ASN 13 2HB ASN 13 -1.409 -11.055 -3.889 118 HB3 ASN 13 1HB ASN 13 -0.705 -12.220 -2.783 119 HD21 ASN 13 1HD2 ASN 13 -1.956 -13.865 -3.693 120 HD22 ASN 13 2HD2 ASN 13 -3.643 -14.015 -3.365 121 H CYS 14 H CYS 14 -0.544 -8.070 -1.872 122 HA CYS 14 HA CYS 14 2.240 -8.904 -1.437 123 HB2 CYS 14 2HB CYS 14 1.353 -6.432 -2.949 124 HB3 CYS 14 1HB CYS 14 2.986 -6.986 -2.700 125 H GLU 15 H GLU 15 3.509 -7.317 -0.267 126 HA GLU 15 HA GLU 15 1.877 -6.114 1.789 127 HB2 GLU 15 2HB GLU 15 4.777 -6.846 1.668 128 HB3 GLU 15 1HB GLU 15 4.129 -5.821 2.944 129 HG2 GLU 15 2HG GLU 15 3.177 -8.595 2.296 130 HG3 GLU 15 1HG GLU 15 4.266 -8.164 3.618 131 H VAL 16 H VAL 16 1.356 -4.116 1.567 132 HA VAL 16 HA VAL 16 3.139 -2.360 0.077 133 HB VAL 16 HB VAL 16 0.356 -1.740 1.097 134 HG11 VAL 16 1HG1 VAL 16 0.431 0.108 -0.508 135 HG12 VAL 16 2HG1 VAL 16 2.079 -0.342 -0.940 136 HG13 VAL 16 3HG1 VAL 16 1.719 0.226 0.690 137 HG21 VAL 16 1HG2 VAL 16 0.236 -3.577 -0.517 138 HG22 VAL 16 2HG2 VAL 16 1.171 -2.629 -1.675 139 HG23 VAL 16 3HG2 VAL 16 -0.441 -2.098 -1.199 140 H ARG 17 H ARG 17 4.662 -1.678 1.369 141 HA ARG 17 HA ARG 17 4.064 -1.054 4.111 142 HB2 ARG 17 2HB ARG 17 6.633 -1.021 2.557 143 HB3 ARG 17 1HB ARG 17 6.510 -0.389 4.189 144 HG2 ARG 17 2HG ARG 17 6.023 -3.218 3.299 145 HG3 ARG 17 1HG ARG 17 7.373 -2.617 4.268 146 HD2 ARG 17 2HD ARG 17 4.465 -2.797 5.066 147 HD3 ARG 17 1HD ARG 17 5.827 -3.662 5.750 148 HE ARG 17 HE ARG 17 6.192 -0.850 6.036 149 HH11 ARG 17 1HH1 ARG 17 4.434 -3.589 7.415 150 HH12 ARG 17 2HH1 ARG 17 4.202 -2.874 8.932 151 HH21 ARG 17 1HH2 ARG 17 5.841 0.199 8.115 152 HH22 ARG 17 2HH2 ARG 17 5.065 -0.654 9.354 153 H CYS 18 H CYS 18 2.907 0.607 4.278 154 HA CYS 18 HA CYS 18 3.681 3.077 2.928 155 HB2 CYS 18 2HB CYS 18 1.363 2.660 4.792 156 HB3 CYS 18 1HB CYS 18 1.547 3.866 3.526 157 H ASP 19 H ASP 19 5.224 4.026 4.070 158 HA ASP 19 HA ASP 19 4.793 4.314 6.930 159 HB2 ASP 19 2HB ASP 19 7.427 3.548 5.635 160 HB3 ASP 19 1HB ASP 19 7.318 4.195 7.262 161 HA DPR 20 HA DPR 20 6.026 8.574 6.358 162 HB2 DPR 20 1HB DPR 20 3.054 8.903 6.280 163 HB3 DPR 20 2HB DPR 20 4.255 9.746 7.275 164 HG2 DPR 20 1HG DPR 20 2.805 7.918 8.471 165 HG3 DPR 20 2HG DPR 20 4.604 7.882 8.598 166 HD2 DPR 20 1HD DPR 20 2.929 6.261 6.729 167 HD3 DPR 20 2HD DPR 20 4.064 5.720 7.994 168 HA PRO 21 HA PRO 21 4.655 9.464 2.164 169 HB2 PRO 21 2HB PRO 21 6.906 10.580 1.295 170 HB3 PRO 21 1HB PRO 21 5.872 11.426 2.454 171 HG2 PRO 21 2HG PRO 21 8.421 9.944 2.928 172 HG3 PRO 21 1HG PRO 21 7.847 11.453 3.659 173 HD2 PRO 21 2HD PRO 21 7.673 8.926 4.817 174 HD3 PRO 21 1HD PRO 21 6.724 10.354 5.283 175 H ARG 22 H ARG 22 6.530 7.071 3.384 176 HA ARG 22 HA ARG 22 7.724 6.279 0.829 177 HB2 ARG 22 2HB ARG 22 9.092 6.019 2.918 178 HB3 ARG 22 1HB ARG 22 7.917 4.838 3.487 179 HG2 ARG 22 2HG ARG 22 8.376 3.509 1.412 180 HG3 ARG 22 1HG ARG 22 9.703 4.613 1.073 181 HD2 ARG 22 2HD ARG 22 10.628 2.698 2.129 182 HD3 ARG 22 1HD ARG 22 10.649 4.001 3.312 183 HE ARG 22 HE ARG 22 8.584 2.962 4.237 184 HH11 ARG 22 1HH1 ARG 22 10.748 0.905 2.284 185 HH12 ARG 22 2HH1 ARG 22 10.452 -0.484 3.218 186 HH21 ARG 22 1HH2 ARG 22 8.145 0.925 5.448 187 HH22 ARG 22 2HH2 ARG 22 9.007 -0.470 5.019 188 H TYR 23 H TYR 23 6.663 5.045 -0.462 189 HA TYR 23 HA TYR 23 4.686 3.142 0.596 190 HB2 TYR 23 2HB TYR 23 4.664 4.646 -2.035 191 HB3 TYR 23 1HB TYR 23 3.531 3.384 -1.592 192 HD1 TYR 23 1HD TYR 23 4.554 6.872 -0.972 193 HD2 TYR 23 2HD TYR 23 1.698 3.841 -0.130 194 HE1 TYR 23 1HE TYR 23 3.028 8.568 -0.075 195 HE2 TYR 23 2HE TYR 23 0.175 5.527 0.772 196 HH TYR 23 HH TYR 23 -0.036 7.697 1.461 197 H GLU 24 H GLU 24 5.738 1.220 0.447 198 HA GLU 24 HA GLU 24 6.928 0.616 -2.158 199 HB2 GLU 24 2HB GLU 24 8.092 -0.180 0.509 200 HB3 GLU 24 1HB GLU 24 8.599 -0.861 -1.025 201 HG2 GLU 24 2HG GLU 24 9.116 1.552 -1.703 202 HG3 GLU 24 1HG GLU 24 8.987 1.917 0.018 203 H VAL 25 H VAL 25 6.012 -1.036 -3.101 204 HA VAL 25 HA VAL 25 4.515 -2.859 -1.409 205 HB VAL 25 HB VAL 25 3.116 -1.823 -3.111 206 HG11 VAL 25 1HG1 VAL 25 5.024 -2.934 -5.158 207 HG12 VAL 25 2HG1 VAL 25 4.757 -1.233 -4.776 208 HG13 VAL 25 3HG1 VAL 25 3.468 -2.184 -5.514 209 HG21 VAL 25 1HG2 VAL 25 2.216 -3.814 -4.222 210 HG22 VAL 25 2HG2 VAL 25 2.601 -4.126 -2.528 211 HG23 VAL 25 3HG2 VAL 25 3.678 -4.702 -3.797 212 H HIS 26 H HIS 26 5.305 -4.723 -0.973 213 HA HIS 26 HA HIS 26 7.360 -5.852 -2.739 214 HB2 HIS 26 2HB HIS 26 8.202 -5.376 -0.481 215 HB3 HIS 26 1HB HIS 26 6.887 -6.303 0.227 216 HD1 HIS 26 1HD HIS 26 7.272 -8.822 0.494 217 HD2 HIS 26 2HD HIS 26 10.153 -6.964 -1.850 218 HE1 HIS 26 1HE HIS 26 9.029 -10.556 0.084 219 H CYS 27 H CYS 27 6.682 -7.483 -3.915 220 HA CYS 27 HA CYS 27 4.475 -9.101 -2.937 221 HB2 CYS 27 2HB CYS 27 5.655 -8.834 -5.719 222 HB3 CYS 27 1HB CYS 27 4.342 -9.922 -5.288 Start of MODEL 5 1 H1 ASN 1 1HT ASN 1 -9.032 7.057 0.193 2 H2 ASN 1 2HT ASN 1 -10.360 8.047 0.016 3 H3 ASN 1 3HT ASN 1 -9.323 8.238 1.346 4 HA ASN 1 HA ASN 1 -8.551 8.675 -1.469 5 HB2 ASN 1 2HB ASN 1 -9.235 10.624 0.746 6 HB3 ASN 1 1HB ASN 1 -8.390 11.088 -0.727 7 HD21 ASN 1 1HD2 ASN 1 -11.455 10.188 0.670 8 HD22 ASN 1 2HD2 ASN 1 -12.378 10.504 -0.745 9 H ASP 2 H ASP 2 -7.136 6.913 -0.025 10 HA ASP 2 HA ASP 2 -4.903 8.434 1.112 11 HB2 ASP 2 2HB ASP 2 -5.971 5.731 1.923 12 HB3 ASP 2 1HB ASP 2 -4.560 6.515 2.595 13 H LYS 3 H LYS 3 -3.114 8.042 -0.041 14 HA LYS 3 HA LYS 3 -2.824 6.401 -2.244 15 HB2 LYS 3 2HB LYS 3 -0.783 7.397 -0.276 16 HB3 LYS 3 1HB LYS 3 -0.325 6.493 -1.704 17 HG2 LYS 3 2HG LYS 3 -1.887 9.069 -1.775 18 HG3 LYS 3 1HG LYS 3 -0.131 8.981 -1.891 19 HD2 LYS 3 2HD LYS 3 -2.084 7.668 -3.801 20 HD3 LYS 3 1HD LYS 3 -1.214 9.171 -4.093 21 HE2 LYS 3 2HE LYS 3 0.936 7.927 -3.870 22 HE3 LYS 3 1HE LYS 3 0.018 6.440 -3.688 23 HZ1 LYS 3 1HZ LYS 3 -0.839 6.694 -5.904 24 HZ2 LYS 3 2HZ LYS 3 0.846 6.806 -5.940 25 HZ3 LYS 3 3HZ LYS 3 -0.072 8.189 -6.081 26 H CYS 4 H CYS 4 -2.044 5.659 1.109 27 HA CYS 4 HA CYS 4 -0.947 3.118 0.631 28 HB2 CYS 4 2HB CYS 4 -0.614 4.423 2.730 29 HB3 CYS 4 1HB CYS 4 -2.292 4.123 3.156 30 H LYS 5 H LYS 5 -4.274 4.163 1.288 31 HA LYS 5 HA LYS 5 -5.252 1.491 1.526 32 HB2 LYS 5 2HB LYS 5 -6.757 4.074 1.124 33 HB3 LYS 5 1HB LYS 5 -7.517 2.521 1.418 34 HG2 LYS 5 2HG LYS 5 -6.453 2.378 3.600 35 HG3 LYS 5 1HG LYS 5 -5.625 3.908 3.301 36 HD2 LYS 5 2HD LYS 5 -7.774 5.060 3.173 37 HD3 LYS 5 1HD LYS 5 -8.617 3.532 3.429 38 HE2 LYS 5 2HE LYS 5 -8.497 4.832 5.499 39 HE3 LYS 5 1HE LYS 5 -7.597 3.325 5.625 40 HZ1 LYS 5 1HZ LYS 5 -6.400 5.173 6.609 41 HZ2 LYS 5 2HZ LYS 5 -6.364 6.015 5.152 42 HZ3 LYS 5 3HZ LYS 5 -5.547 4.549 5.313 43 H GLU 6 H GLU 6 -4.878 3.746 -1.083 44 HA GLU 6 HA GLU 6 -6.426 2.340 -2.998 45 HB2 GLU 6 2HB GLU 6 -4.067 4.200 -3.361 46 HB3 GLU 6 1HB GLU 6 -5.086 3.623 -4.668 47 HG2 GLU 6 2HG GLU 6 -5.979 5.335 -2.358 48 HG3 GLU 6 1HG GLU 6 -5.653 5.897 -3.996 49 H LEU 7 H LEU 7 -2.957 2.443 -2.291 50 HA LEU 7 HA LEU 7 -2.218 0.532 -4.214 51 HB2 LEU 7 2HB LEU 7 -0.786 1.405 -1.719 52 HB3 LEU 7 1HB LEU 7 -0.076 0.415 -2.980 53 HG LEU 7 HG LEU 7 -1.036 3.260 -3.305 54 HD11 LEU 7 1HD1 LEU 7 1.737 2.109 -3.210 55 HD12 LEU 7 2HD1 LEU 7 0.976 3.110 -1.972 56 HD13 LEU 7 3HD1 LEU 7 1.328 3.787 -3.561 57 HD21 LEU 7 1HD2 LEU 7 -1.300 2.005 -5.373 58 HD22 LEU 7 2HD2 LEU 7 0.363 1.424 -5.241 59 HD23 LEU 7 3HD2 LEU 7 0.045 3.139 -5.495 60 H LYS 8 H LYS 8 -3.109 0.115 -0.779 61 HA LYS 8 HA LYS 8 -2.406 -2.602 -0.782 62 HB2 LYS 8 2HB LYS 8 -4.287 -1.058 0.988 63 HB3 LYS 8 1HB LYS 8 -3.854 -2.742 1.241 64 HG2 LYS 8 2HG LYS 8 -1.470 -2.037 1.382 65 HG3 LYS 8 1HG LYS 8 -2.004 -0.358 1.305 66 HD2 LYS 8 2HD LYS 8 -1.618 -0.943 3.608 67 HD3 LYS 8 1HD LYS 8 -3.359 -0.785 3.365 68 HE2 LYS 8 2HE LYS 8 -3.579 -3.201 3.190 69 HE3 LYS 8 1HE LYS 8 -1.832 -3.386 3.331 70 HZ1 LYS 8 1HZ LYS 8 -2.880 -3.851 5.384 71 HZ2 LYS 8 2HZ LYS 8 -3.686 -2.374 5.414 72 HZ3 LYS 8 3HZ LYS 8 -2.007 -2.425 5.571 73 H LYS 9 H LYS 9 -5.176 -0.956 -2.002 74 HA LYS 9 HA LYS 9 -6.784 -3.344 -2.189 75 HB2 LYS 9 2HB LYS 9 -7.841 -1.098 -2.159 76 HB3 LYS 9 1HB LYS 9 -7.030 -0.707 -3.671 77 HG2 LYS 9 2HG LYS 9 -8.231 -2.640 -4.712 78 HG3 LYS 9 1HG LYS 9 -9.158 -2.782 -3.222 79 HD2 LYS 9 2HD LYS 9 -9.975 -0.494 -3.522 80 HD3 LYS 9 1HD LYS 9 -9.040 -0.366 -5.015 81 HE2 LYS 9 2HE LYS 9 -11.247 -2.341 -4.479 82 HE3 LYS 9 1HE LYS 9 -11.402 -0.890 -5.467 83 HZ1 LYS 9 1HZ LYS 9 -9.827 -1.825 -7.040 84 HZ2 LYS 9 2HZ LYS 9 -11.034 -2.976 -6.778 85 HZ3 LYS 9 3HZ LYS 9 -9.541 -3.140 -6.054 86 H ARG 10 H ARG 10 -4.628 -1.482 -4.175 87 HA ARG 10 HA ARG 10 -5.006 -2.930 -6.587 88 HB2 ARG 10 2HB ARG 10 -2.737 -1.146 -5.713 89 HB3 ARG 10 1HB ARG 10 -2.959 -1.720 -7.356 90 HG2 ARG 10 2HG ARG 10 -5.122 -0.606 -7.446 91 HG3 ARG 10 1HG ARG 10 -4.873 -0.027 -5.796 92 HD2 ARG 10 2HD ARG 10 -2.867 1.188 -6.592 93 HD3 ARG 10 1HD ARG 10 -3.262 0.679 -8.237 94 HE ARG 10 HE ARG 10 -5.483 1.890 -6.998 95 HH11 ARG 10 1HH1 ARG 10 -2.449 2.736 -8.657 96 HH12 ARG 10 2HH1 ARG 10 -2.961 4.313 -9.027 97 HH21 ARG 10 1HH2 ARG 10 -6.149 4.038 -7.555 98 HH22 ARG 10 2HH2 ARG 10 -5.069 5.062 -8.403 99 H TYR 11 H TYR 11 -2.944 -3.377 -3.834 100 HA TYR 11 HA TYR 11 -2.010 -5.879 -5.048 101 HB2 TYR 11 2HB TYR 11 -0.294 -4.089 -3.304 102 HB3 TYR 11 1HB TYR 11 0.201 -5.573 -4.106 103 HD1 TYR 11 1HD TYR 11 -0.237 -2.012 -4.412 104 HD2 TYR 11 2HD TYR 11 0.408 -5.591 -6.614 105 HE1 TYR 11 1HE TYR 11 0.488 -0.682 -6.324 106 HE2 TYR 11 2HE TYR 11 1.153 -4.270 -8.547 107 HH TYR 11 HH TYR 11 2.081 -1.178 -8.361 108 HA PRO 12 HA PRO 12 -4.010 -6.445 -0.875 109 HB2 PRO 12 2HB PRO 12 -5.579 -8.540 -1.537 110 HB3 PRO 12 1HB PRO 12 -6.064 -6.863 -1.816 111 HG2 PRO 12 2HG PRO 12 -4.945 -8.861 -3.732 112 HG3 PRO 12 1HG PRO 12 -6.249 -7.680 -3.962 113 HD2 PRO 12 2HD PRO 12 -3.718 -7.291 -4.874 114 HD3 PRO 12 1HD PRO 12 -4.793 -5.969 -4.399 115 H ASN 13 H ASN 13 -2.457 -8.735 -3.032 116 HA ASN 13 HA ASN 13 -1.929 -10.497 -0.756 117 HB2 ASN 13 2HB ASN 13 -1.769 -10.987 -3.726 118 HB3 ASN 13 1HB ASN 13 -0.879 -12.009 -2.613 119 HD21 ASN 13 1HD2 ASN 13 -3.984 -10.640 -1.797 120 HD22 ASN 13 2HD2 ASN 13 -4.839 -12.137 -1.826 121 H CYS 14 H CYS 14 -0.681 -7.882 -1.725 122 HA CYS 14 HA CYS 14 2.084 -8.800 -1.430 123 HB2 CYS 14 2HB CYS 14 1.151 -6.196 -2.597 124 HB3 CYS 14 1HB CYS 14 2.777 -6.841 -2.606 125 H GLU 15 H GLU 15 3.383 -7.316 -0.161 126 HA GLU 15 HA GLU 15 1.771 -6.098 1.922 127 HB2 GLU 15 2HB GLU 15 3.520 -7.778 2.568 128 HB3 GLU 15 1HB GLU 15 4.738 -6.680 1.931 129 HG2 GLU 15 2HG GLU 15 4.612 -6.441 4.318 130 HG3 GLU 15 1HG GLU 15 4.010 -4.975 3.547 131 H VAL 16 H VAL 16 1.294 -4.129 1.340 132 HA VAL 16 HA VAL 16 3.253 -2.450 0.012 133 HB VAL 16 HB VAL 16 0.483 -1.699 0.981 134 HG11 VAL 16 1HG1 VAL 16 1.926 0.206 0.588 135 HG12 VAL 16 2HG1 VAL 16 0.657 0.140 -0.634 136 HG13 VAL 16 3HG1 VAL 16 2.294 -0.379 -1.035 137 HG21 VAL 16 1HG2 VAL 16 0.275 -3.526 -0.622 138 HG22 VAL 16 2HG2 VAL 16 1.293 -2.654 -1.768 139 HG23 VAL 16 3HG2 VAL 16 -0.292 -2.016 -1.337 140 H ARG 17 H ARG 17 4.755 -1.792 1.377 141 HA ARG 17 HA ARG 17 4.060 -1.304 4.131 142 HB2 ARG 17 2HB ARG 17 6.725 -0.998 2.753 143 HB3 ARG 17 1HB ARG 17 6.437 -0.940 4.485 144 HG2 ARG 17 2HG ARG 17 5.566 -3.304 4.285 145 HG3 ARG 17 1HG ARG 17 6.228 -3.303 2.649 146 HD2 ARG 17 2HD ARG 17 7.730 -2.889 5.223 147 HD3 ARG 17 1HD ARG 17 7.802 -4.288 4.162 148 HE ARG 17 HE ARG 17 8.675 -2.586 2.467 149 HH11 ARG 17 1HH1 ARG 17 9.278 -2.355 5.941 150 HH12 ARG 17 2HH1 ARG 17 10.857 -1.740 5.782 151 HH21 ARG 17 1HH2 ARG 17 10.866 -1.671 2.259 152 HH22 ARG 17 2HH2 ARG 17 11.738 -1.323 3.690 153 H CYS 18 H CYS 18 3.323 0.532 4.713 154 HA CYS 18 HA CYS 18 3.875 2.884 3.083 155 HB2 CYS 18 2HB CYS 18 1.683 2.415 5.121 156 HB3 CYS 18 1HB CYS 18 1.840 3.806 4.055 157 H ASP 19 H ASP 19 5.554 3.910 3.892 158 HA ASP 19 HA ASP 19 5.576 4.481 6.766 159 HB2 ASP 19 2HB ASP 19 7.938 4.046 4.924 160 HB3 ASP 19 1HB ASP 19 8.100 4.931 6.431 161 HA DPR 20 HA DPR 20 5.607 8.814 5.764 162 HB2 DPR 20 1HB DPR 20 2.643 8.477 5.704 163 HB3 DPR 20 2HB DPR 20 3.623 9.613 6.647 164 HG2 DPR 20 1HG DPR 20 2.616 7.572 7.950 165 HG3 DPR 20 2HG DPR 20 4.383 7.924 8.046 166 HD2 DPR 20 1HD DPR 20 3.091 5.913 6.267 167 HD3 DPR 20 2HD DPR 20 4.297 5.669 7.554 168 HA PRO 21 HA PRO 21 4.171 9.210 1.521 169 HB2 PRO 21 2HB PRO 21 6.324 10.425 0.540 170 HB3 PRO 21 1HB PRO 21 5.243 11.270 1.655 171 HG2 PRO 21 2HG PRO 21 7.895 10.001 2.190 172 HG3 PRO 21 1HG PRO 21 7.239 11.527 2.807 173 HD2 PRO 21 2HD PRO 21 7.246 9.117 4.182 174 HD3 PRO 21 1HD PRO 21 6.179 10.493 4.532 175 H ARG 22 H ARG 22 6.381 7.132 2.852 176 HA ARG 22 HA ARG 22 7.485 6.191 0.306 177 HB2 ARG 22 2HB ARG 22 9.060 6.345 2.190 178 HB3 ARG 22 1HB ARG 22 8.041 5.276 3.139 179 HG2 ARG 22 2HG ARG 22 8.432 3.486 1.454 180 HG3 ARG 22 1HG ARG 22 9.558 4.566 0.634 181 HD2 ARG 22 2HD ARG 22 10.937 4.653 2.667 182 HD3 ARG 22 1HD ARG 22 9.813 3.559 3.472 183 HE ARG 22 HE ARG 22 10.676 2.415 1.067 184 HH11 ARG 22 1HH1 ARG 22 11.971 3.169 4.276 185 HH12 ARG 22 2HH1 ARG 22 13.123 1.927 4.287 186 HH21 ARG 22 1HH2 ARG 22 12.255 0.685 1.045 187 HH22 ARG 22 2HH2 ARG 22 13.312 0.462 2.370 188 H TYR 23 H TYR 23 6.283 4.815 -0.798 189 HA TYR 23 HA TYR 23 4.805 2.797 0.722 190 HB2 TYR 23 2HB TYR 23 4.077 3.913 -2.002 191 HB3 TYR 23 1HB TYR 23 3.132 2.782 -1.039 192 HD1 TYR 23 1HD TYR 23 2.403 3.648 1.317 193 HD2 TYR 23 2HD TYR 23 3.602 6.164 -1.883 194 HE1 TYR 23 1HE TYR 23 1.286 5.545 2.401 195 HE2 TYR 23 2HE TYR 23 2.482 8.070 -0.813 196 HH TYR 23 HH TYR 23 1.564 8.037 2.364 197 H GLU 24 H GLU 24 5.892 1.016 0.550 198 HA GLU 24 HA GLU 24 7.213 0.428 -2.004 199 HB2 GLU 24 2HB GLU 24 8.759 1.020 -0.135 200 HB3 GLU 24 1HB GLU 24 8.142 -0.358 0.756 201 HG2 GLU 24 2HG GLU 24 9.021 -1.872 -0.882 202 HG3 GLU 24 1HG GLU 24 9.532 -0.526 -1.902 203 H VAL 25 H VAL 25 6.259 -1.232 -2.950 204 HA VAL 25 HA VAL 25 4.788 -3.060 -1.234 205 HB VAL 25 HB VAL 25 3.273 -1.937 -2.713 206 HG11 VAL 25 1HG1 VAL 25 3.417 -2.072 -5.153 207 HG12 VAL 25 2HG1 VAL 25 4.983 -2.879 -4.996 208 HG13 VAL 25 3HG1 VAL 25 4.782 -1.222 -4.429 209 HG21 VAL 25 1HG2 VAL 25 2.259 -3.813 -3.919 210 HG22 VAL 25 2HG2 VAL 25 2.780 -4.277 -2.297 211 HG23 VAL 25 3HG2 VAL 25 3.740 -4.742 -3.698 212 H HIS 26 H HIS 26 5.460 -4.956 -0.912 213 HA HIS 26 HA HIS 26 7.176 -6.258 -2.915 214 HB2 HIS 26 2HB HIS 26 8.275 -5.693 -0.711 215 HB3 HIS 26 1HB HIS 26 7.110 -6.748 0.077 216 HD1 HIS 26 1HD HIS 26 7.579 -9.303 -0.041 217 HD2 HIS 26 2HD HIS 26 10.215 -6.983 -2.256 218 HE1 HIS 26 1HE HIS 26 9.478 -10.820 -0.674 219 H CYS 27 H CYS 27 6.228 -8.016 -3.801 220 HA CYS 27 HA CYS 27 3.786 -8.954 -2.560 221 HB2 CYS 27 2HB CYS 27 4.915 -9.498 -5.318 222 HB3 CYS 27 1HB CYS 27 3.383 -10.112 -4.711 Start of MODEL 6 1 H1 ASN 1 1HT ASN 1 -3.650 10.838 -0.782 2 H2 ASN 1 2HT ASN 1 -2.906 12.281 -1.089 3 H3 ASN 1 3HT ASN 1 -3.659 12.047 0.401 4 HA ASN 1 HA ASN 1 -1.250 10.649 -0.574 5 HB2 ASN 1 2HB ASN 1 -0.082 11.865 1.189 6 HB3 ASN 1 1HB ASN 1 -0.795 12.966 0.010 7 HD21 ASN 1 1HD2 ASN 1 0.041 13.553 2.705 8 HD22 ASN 1 2HD2 ASN 1 -1.356 14.098 3.550 9 H ASP 2 H ASP 2 -3.484 9.242 0.138 10 HA ASP 2 HA ASP 2 -2.459 7.852 2.453 11 HB2 ASP 2 2HB ASP 2 -4.692 7.522 3.390 12 HB3 ASP 2 1HB ASP 2 -4.250 9.227 3.352 13 H LYS 3 H LYS 3 -2.015 7.428 -0.013 14 HA LYS 3 HA LYS 3 -3.783 5.701 -1.477 15 HB2 LYS 3 2HB LYS 3 -0.846 6.179 -1.849 16 HB3 LYS 3 1HB LYS 3 -1.842 5.241 -2.950 17 HG2 LYS 3 2HG LYS 3 -3.220 7.239 -3.337 18 HG3 LYS 3 1HG LYS 3 -2.125 8.160 -2.308 19 HD2 LYS 3 2HD LYS 3 -1.322 6.705 -4.830 20 HD3 LYS 3 1HD LYS 3 -1.620 8.439 -4.715 21 HE2 LYS 3 2HE LYS 3 0.184 8.607 -3.046 22 HE3 LYS 3 1HE LYS 3 0.496 6.884 -3.229 23 HZ1 LYS 3 1HZ LYS 3 2.013 8.266 -4.507 24 HZ2 LYS 3 2HZ LYS 3 0.704 8.871 -5.408 25 HZ3 LYS 3 3HZ LYS 3 1.105 7.248 -5.503 26 H CYS 4 H CYS 4 -2.147 5.058 1.203 27 HA CYS 4 HA CYS 4 -0.975 2.531 0.870 28 HB2 CYS 4 2HB CYS 4 -0.880 4.017 2.925 29 HB3 CYS 4 1HB CYS 4 -2.523 3.507 3.285 30 H LYS 5 H LYS 5 -4.237 3.625 1.338 31 HA LYS 5 HA LYS 5 -5.502 1.139 1.731 32 HB2 LYS 5 2HB LYS 5 -6.486 3.863 0.880 33 HB3 LYS 5 1HB LYS 5 -7.553 2.514 1.266 34 HG2 LYS 5 2HG LYS 5 -7.124 2.625 3.510 35 HG3 LYS 5 1HG LYS 5 -5.492 3.236 3.276 36 HD2 LYS 5 2HD LYS 5 -6.943 4.916 4.312 37 HD3 LYS 5 1HD LYS 5 -6.377 5.439 2.733 38 HE2 LYS 5 2HE LYS 5 -8.548 4.764 1.775 39 HE3 LYS 5 1HE LYS 5 -9.099 4.319 3.389 40 HZ1 LYS 5 1HZ LYS 5 -8.907 6.586 4.100 41 HZ2 LYS 5 2HZ LYS 5 -9.760 6.594 2.638 42 HZ3 LYS 5 3HZ LYS 5 -8.119 7.009 2.672 43 H GLU 6 H GLU 6 -5.227 3.286 -1.137 44 HA GLU 6 HA GLU 6 -6.474 1.635 -2.981 45 HB2 GLU 6 2HB GLU 6 -4.206 3.580 -3.493 46 HB3 GLU 6 1HB GLU 6 -5.158 2.815 -4.746 47 HG2 GLU 6 2HG GLU 6 -6.083 4.921 -4.600 48 HG3 GLU 6 1HG GLU 6 -7.166 3.964 -3.601 49 H LEU 7 H LEU 7 -3.037 1.837 -2.164 50 HA LEU 7 HA LEU 7 -2.287 -0.097 -4.071 51 HB2 LEU 7 2HB LEU 7 -0.798 0.859 -1.644 52 HB3 LEU 7 1HB LEU 7 -0.116 -0.196 -2.865 53 HG LEU 7 HG LEU 7 -1.047 2.647 -3.290 54 HD11 LEU 7 1HD1 LEU 7 1.691 1.415 -3.294 55 HD12 LEU 7 2HD1 LEU 7 1.028 2.490 -2.060 56 HD13 LEU 7 3HD1 LEU 7 1.315 3.091 -3.694 57 HD21 LEU 7 1HD2 LEU 7 0.224 0.716 -5.224 58 HD22 LEU 7 2HD2 LEU 7 -0.118 2.417 -5.535 59 HD23 LEU 7 3HD2 LEU 7 -1.445 1.287 -5.289 60 H LYS 8 H LYS 8 -3.145 -0.443 -0.670 61 HA LYS 8 HA LYS 8 -2.443 -3.205 -0.610 62 HB2 LYS 8 2HB LYS 8 -2.639 -1.848 1.451 63 HB3 LYS 8 1HB LYS 8 -4.364 -1.679 1.176 64 HG2 LYS 8 2HG LYS 8 -4.684 -4.052 1.488 65 HG3 LYS 8 1HG LYS 8 -2.944 -4.288 1.626 66 HD2 LYS 8 2HD LYS 8 -2.903 -2.988 3.668 67 HD3 LYS 8 1HD LYS 8 -4.630 -2.646 3.510 68 HE2 LYS 8 2HE LYS 8 -4.207 -4.464 5.111 69 HE3 LYS 8 1HE LYS 8 -5.147 -5.001 3.724 70 HZ1 LYS 8 1HZ LYS 8 -3.421 -6.595 4.329 71 HZ2 LYS 8 2HZ LYS 8 -2.220 -5.447 4.086 72 HZ3 LYS 8 3HZ LYS 8 -3.126 -5.996 2.788 73 H LYS 9 H LYS 9 -5.048 -1.543 -1.967 74 HA LYS 9 HA LYS 9 -6.759 -3.902 -2.129 75 HB2 LYS 9 2HB LYS 9 -7.754 -1.661 -1.739 76 HB3 LYS 9 1HB LYS 9 -7.087 -1.112 -3.264 77 HG2 LYS 9 2HG LYS 9 -8.497 -2.697 -4.458 78 HG3 LYS 9 1HG LYS 9 -9.157 -3.270 -2.923 79 HD2 LYS 9 2HD LYS 9 -10.016 -1.026 -2.461 80 HD3 LYS 9 1HD LYS 9 -9.363 -0.456 -3.995 81 HE2 LYS 9 2HE LYS 9 -11.741 -0.906 -4.194 82 HE3 LYS 9 1HE LYS 9 -10.817 -2.032 -5.187 83 HZ1 LYS 9 1HZ LYS 9 -11.944 -2.634 -2.500 84 HZ2 LYS 9 2HZ LYS 9 -11.111 -3.721 -3.478 85 HZ3 LYS 9 3HZ LYS 9 -12.599 -3.146 -3.962 86 H ARG 10 H ARG 10 -4.745 -1.856 -4.099 87 HA ARG 10 HA ARG 10 -5.247 -3.017 -6.616 88 HB2 ARG 10 2HB ARG 10 -4.151 -0.747 -6.157 89 HB3 ARG 10 1HB ARG 10 -2.747 -1.644 -5.664 90 HG2 ARG 10 2HG ARG 10 -2.393 -2.491 -7.844 91 HG3 ARG 10 1HG ARG 10 -3.926 -1.817 -8.410 92 HD2 ARG 10 2HD ARG 10 -3.127 0.428 -8.011 93 HD3 ARG 10 1HD ARG 10 -1.624 -0.194 -7.332 94 HE ARG 10 HE ARG 10 -1.879 -1.254 -9.859 95 HH11 ARG 10 1HH1 ARG 10 -1.540 1.973 -8.465 96 HH12 ARG 10 2HH1 ARG 10 -0.680 2.608 -9.787 97 HH21 ARG 10 1HH2 ARG 10 -0.700 -0.378 -11.685 98 HH22 ARG 10 2HH2 ARG 10 -0.190 1.241 -11.649 99 H TYR 11 H TYR 11 -3.062 -3.800 -4.009 100 HA TYR 11 HA TYR 11 -2.122 -6.109 -5.542 101 HB2 TYR 11 2HB TYR 11 -0.683 -4.582 -3.354 102 HB3 TYR 11 1HB TYR 11 -0.061 -6.019 -4.161 103 HD1 TYR 11 1HD TYR 11 -0.811 -2.448 -4.543 104 HD2 TYR 11 2HD TYR 11 0.826 -5.894 -6.409 105 HE1 TYR 11 1HE TYR 11 0.118 -1.033 -6.289 106 HE2 TYR 11 2HE TYR 11 1.788 -4.493 -8.167 107 HH TYR 11 HH TYR 11 1.380 -2.292 -9.186 108 HA PRO 12 HA PRO 12 -5.015 -7.796 -2.492 109 HB2 PRO 12 2HB PRO 12 -4.316 -10.256 -4.001 110 HB3 PRO 12 1HB PRO 12 -5.903 -9.611 -3.577 111 HG2 PRO 12 2HG PRO 12 -5.008 -9.409 -6.055 112 HG3 PRO 12 1HG PRO 12 -5.874 -8.055 -5.304 113 HD2 PRO 12 2HD PRO 12 -2.937 -8.406 -5.757 114 HD3 PRO 12 1HD PRO 12 -3.950 -6.956 -5.940 115 H ASN 13 H ASN 13 -2.186 -9.807 -3.414 116 HA ASN 13 HA ASN 13 -2.079 -10.573 -0.571 117 HB2 ASN 13 2HB ASN 13 -1.204 -12.220 -2.950 118 HB3 ASN 13 1HB ASN 13 -1.034 -12.699 -1.270 119 HD21 ASN 13 1HD2 ASN 13 -2.389 -14.108 -3.337 120 HD22 ASN 13 2HD2 ASN 13 -4.038 -14.244 -2.876 121 H CYS 14 H CYS 14 -0.733 -8.325 -1.938 122 HA CYS 14 HA CYS 14 2.062 -9.135 -1.586 123 HB2 CYS 14 2HB CYS 14 0.931 -6.535 -2.613 124 HB3 CYS 14 1HB CYS 14 2.628 -6.948 -2.528 125 H GLU 15 H GLU 15 3.424 -7.555 -0.387 126 HA GLU 15 HA GLU 15 2.004 -6.713 2.027 127 HB2 GLU 15 2HB GLU 15 4.940 -7.184 1.521 128 HB3 GLU 15 1HB GLU 15 4.307 -6.491 3.004 129 HG2 GLU 15 2HG GLU 15 3.035 -8.545 3.404 130 HG3 GLU 15 1HG GLU 15 3.712 -9.237 1.931 131 H VAL 16 H VAL 16 1.293 -4.719 1.826 132 HA VAL 16 HA VAL 16 2.939 -2.741 0.477 133 HB VAL 16 HB VAL 16 0.124 -2.454 1.570 134 HG11 VAL 16 1HG1 VAL 16 0.008 -0.452 0.160 135 HG12 VAL 16 2HG1 VAL 16 1.690 -0.688 -0.311 136 HG13 VAL 16 3HG1 VAL 16 1.288 -0.324 1.367 137 HG21 VAL 16 1HG2 VAL 16 0.116 -4.099 -0.208 138 HG22 VAL 16 2HG2 VAL 16 1.063 -3.022 -1.232 139 HG23 VAL 16 3HG2 VAL 16 -0.584 -2.588 -0.806 140 H ARG 17 H ARG 17 4.364 -1.785 1.703 141 HA ARG 17 HA ARG 17 3.754 -1.261 4.508 142 HB2 ARG 17 2HB ARG 17 6.320 -1.083 2.928 143 HB3 ARG 17 1HB ARG 17 6.147 -0.595 4.608 144 HG2 ARG 17 2HG ARG 17 5.612 -2.864 5.249 145 HG3 ARG 17 1HG ARG 17 5.694 -3.374 3.561 146 HD2 ARG 17 2HD ARG 17 7.985 -2.088 5.016 147 HD3 ARG 17 1HD ARG 17 7.751 -3.834 4.937 148 HE ARG 17 HE ARG 17 8.117 -3.770 2.644 149 HH11 ARG 17 1HH1 ARG 17 8.724 -0.584 4.140 150 HH12 ARG 17 2HH1 ARG 17 9.733 -0.037 2.885 151 HH21 ARG 17 1HH2 ARG 17 9.620 -3.009 0.950 152 HH22 ARG 17 2HH2 ARG 17 10.260 -1.446 1.061 153 H CYS 18 H CYS 18 3.692 0.842 5.274 154 HA CYS 18 HA CYS 18 3.773 2.935 3.231 155 HB2 CYS 18 2HB CYS 18 1.544 2.555 5.229 156 HB3 CYS 18 1HB CYS 18 1.655 3.792 3.983 157 H ASP 19 H ASP 19 4.592 4.797 3.953 158 HA ASP 19 HA ASP 19 4.330 5.535 6.686 159 HB2 ASP 19 2HB ASP 19 6.706 6.126 7.055 160 HB3 ASP 19 1HB ASP 19 6.543 4.413 6.747 161 HA DPR 20 HA DPR 20 4.080 9.770 5.208 162 HB2 DPR 20 1HB DPR 20 1.222 8.895 5.474 163 HB3 DPR 20 2HB DPR 20 1.977 10.424 5.958 164 HG2 DPR 20 1HG DPR 20 1.561 8.707 7.869 165 HG3 DPR 20 2HG DPR 20 3.219 9.372 7.603 166 HD2 DPR 20 1HD DPR 20 2.209 6.706 6.713 167 HD3 DPR 20 2HD DPR 20 3.624 7.110 7.716 168 HA PRO 21 HA PRO 21 2.377 9.272 1.090 169 HB2 PRO 21 2HB PRO 21 4.079 10.879 -0.173 170 HB3 PRO 21 1HB PRO 21 2.851 11.537 0.917 171 HG2 PRO 21 2HG PRO 21 5.770 11.154 1.371 172 HG3 PRO 21 1HG PRO 21 4.707 12.458 1.925 173 HD2 PRO 21 2HD PRO 21 5.519 10.236 3.435 174 HD3 PRO 21 1HD PRO 21 4.184 11.341 3.825 175 H ARG 22 H ARG 22 4.975 7.848 2.476 176 HA ARG 22 HA ARG 22 6.034 6.915 -0.097 177 HB2 ARG 22 2HB ARG 22 7.208 6.452 2.655 178 HB3 ARG 22 1HB ARG 22 7.897 5.908 1.137 179 HG2 ARG 22 2HG ARG 22 7.994 8.385 0.506 180 HG3 ARG 22 1HG ARG 22 7.712 8.695 2.219 181 HD2 ARG 22 2HD ARG 22 10.002 7.169 0.986 182 HD3 ARG 22 1HD ARG 22 10.087 8.724 1.805 183 HE ARG 22 HE ARG 22 9.071 6.913 3.650 184 HH11 ARG 22 1HH1 ARG 22 12.101 7.257 1.817 185 HH12 ARG 22 2HH1 ARG 22 13.031 6.436 2.987 186 HH21 ARG 22 1HH2 ARG 22 10.325 5.822 5.174 187 HH22 ARG 22 2HH2 ARG 22 12.026 5.608 4.944 188 H TYR 23 H TYR 23 5.521 4.990 -0.820 189 HA TYR 23 HA TYR 23 4.402 3.037 1.063 190 HB2 TYR 23 2HB TYR 23 3.301 3.548 -1.706 191 HB3 TYR 23 1HB TYR 23 2.636 2.499 -0.461 192 HD1 TYR 23 1HD TYR 23 1.809 3.638 1.684 193 HD2 TYR 23 2HD TYR 23 2.566 5.728 -1.919 194 HE1 TYR 23 1HE TYR 23 0.422 5.499 2.473 195 HE2 TYR 23 2HE TYR 23 1.186 7.593 -1.140 196 HH TYR 23 HH TYR 23 0.249 7.936 2.034 197 H GLU 24 H GLU 24 5.317 1.134 0.797 198 HA GLU 24 HA GLU 24 6.645 0.559 -1.760 199 HB2 GLU 24 2HB GLU 24 7.562 -0.172 1.009 200 HB3 GLU 24 1HB GLU 24 8.243 -0.838 -0.460 201 HG2 GLU 24 2HG GLU 24 8.969 1.401 -1.126 202 HG3 GLU 24 1HG GLU 24 8.294 2.050 0.372 203 H VAL 25 H VAL 25 5.418 -0.886 -2.715 204 HA VAL 25 HA VAL 25 4.236 -2.951 -1.066 205 HB VAL 25 HB VAL 25 2.561 -1.914 -2.451 206 HG11 VAL 25 1HG1 VAL 25 4.328 -2.512 -4.809 207 HG12 VAL 25 2HG1 VAL 25 3.925 -0.917 -4.167 208 HG13 VAL 25 3HG1 VAL 25 2.675 -1.913 -4.910 209 HG21 VAL 25 1HG2 VAL 25 1.723 -3.811 -3.732 210 HG22 VAL 25 2HG2 VAL 25 2.381 -4.339 -2.179 211 HG23 VAL 25 3HG2 VAL 25 3.310 -4.567 -3.656 212 H HIS 26 H HIS 26 5.083 -4.796 -0.904 213 HA HIS 26 HA HIS 26 7.094 -5.630 -2.860 214 HB2 HIS 26 2HB HIS 26 7.918 -5.350 -0.552 215 HB3 HIS 26 1HB HIS 26 6.700 -6.480 0.023 216 HD1 HIS 26 1HD HIS 26 7.368 -8.933 0.036 217 HD2 HIS 26 2HD HIS 26 9.895 -6.567 -2.249 218 HE1 HIS 26 1HE HIS 26 9.285 -10.417 -0.620 219 H CYS 27 H CYS 27 6.446 -7.123 -4.221 220 HA CYS 27 HA CYS 27 4.465 -9.090 -3.346 221 HB2 CYS 27 2HB CYS 27 5.121 -8.176 -6.172 222 HB3 CYS 27 1HB CYS 27 3.920 -9.383 -5.740 Start of MODEL 7 1 H1 ASN 1 1HT ASN 1 -6.382 10.274 -1.070 2 H2 ASN 1 2HT ASN 1 -6.681 11.850 -0.566 3 H3 ASN 1 3HT ASN 1 -6.800 10.605 0.535 4 HA ASN 1 HA ASN 1 -4.362 11.497 -0.892 5 HB2 ASN 1 2HB ASN 1 -5.072 11.745 2.036 6 HB3 ASN 1 1HB ASN 1 -3.507 12.128 1.343 7 HD21 ASN 1 1HD2 ASN 1 -3.561 14.250 1.940 8 HD22 ASN 1 2HD2 ASN 1 -4.620 15.394 1.205 9 H ASP 2 H ASP 2 -5.932 8.873 0.681 10 HA ASP 2 HA ASP 2 -3.458 7.777 1.651 11 HB2 ASP 2 2HB ASP 2 -6.253 6.637 1.703 12 HB3 ASP 2 1HB ASP 2 -4.832 5.816 2.328 13 H LYS 3 H LYS 3 -2.315 7.528 -0.190 14 HA LYS 3 HA LYS 3 -3.340 5.929 -2.311 15 HB2 LYS 3 2HB LYS 3 -1.664 7.713 -2.647 16 HB3 LYS 3 1HB LYS 3 -0.485 6.756 -1.767 17 HG2 LYS 3 2HG LYS 3 -0.419 5.098 -3.460 18 HG3 LYS 3 1HG LYS 3 -1.840 5.768 -4.262 19 HD2 LYS 3 2HD LYS 3 0.836 7.147 -3.999 20 HD3 LYS 3 1HD LYS 3 0.252 6.320 -5.445 21 HE2 LYS 3 2HE LYS 3 -0.989 8.775 -4.156 22 HE3 LYS 3 1HE LYS 3 -0.082 8.722 -5.654 23 HZ1 LYS 3 1HZ LYS 3 -1.812 7.346 -6.639 24 HZ2 LYS 3 2HZ LYS 3 -2.462 8.775 -6.077 25 HZ3 LYS 3 3HZ LYS 3 -2.712 7.360 -5.209 26 H CYS 4 H CYS 4 -1.896 5.344 0.668 27 HA CYS 4 HA CYS 4 -0.824 2.778 0.232 28 HB2 CYS 4 2HB CYS 4 -0.411 4.099 2.284 29 HB3 CYS 4 1HB CYS 4 -2.102 3.880 2.730 30 H LYS 5 H LYS 5 -4.074 3.948 1.057 31 HA LYS 5 HA LYS 5 -5.199 1.358 1.383 32 HB2 LYS 5 2HB LYS 5 -6.527 4.001 0.773 33 HB3 LYS 5 1HB LYS 5 -7.391 2.522 1.157 34 HG2 LYS 5 2HG LYS 5 -5.481 3.971 2.977 35 HG3 LYS 5 1HG LYS 5 -7.243 4.007 3.081 36 HD2 LYS 5 2HD LYS 5 -7.212 1.549 3.444 37 HD3 LYS 5 1HD LYS 5 -5.447 1.606 3.450 38 HE2 LYS 5 2HE LYS 5 -6.246 1.612 5.722 39 HE3 LYS 5 1HE LYS 5 -5.541 3.181 5.349 40 HZ1 LYS 5 1HZ LYS 5 -7.595 3.430 6.545 41 HZ2 LYS 5 2HZ LYS 5 -8.424 2.524 5.400 42 HZ3 LYS 5 3HZ LYS 5 -7.819 4.028 4.973 43 H GLU 6 H GLU 6 -4.781 3.549 -1.295 44 HA GLU 6 HA GLU 6 -6.290 2.227 -3.236 45 HB2 GLU 6 2HB GLU 6 -3.647 3.654 -3.562 46 HB3 GLU 6 1HB GLU 6 -4.695 3.189 -4.882 47 HG2 GLU 6 2HG GLU 6 -6.429 4.712 -3.917 48 HG3 GLU 6 1HG GLU 6 -5.221 5.257 -2.758 49 H LEU 7 H LEU 7 -2.852 1.953 -2.475 50 HA LEU 7 HA LEU 7 -2.330 -0.163 -4.266 51 HB2 LEU 7 2HB LEU 7 -0.769 0.656 -1.831 52 HB3 LEU 7 1HB LEU 7 -0.176 -0.332 -3.149 53 HG LEU 7 HG LEU 7 -0.966 2.574 -3.333 54 HD11 LEU 7 1HD1 LEU 7 1.401 2.964 -3.707 55 HD12 LEU 7 2HD1 LEU 7 1.727 1.254 -3.411 56 HD13 LEU 7 3HD1 LEU 7 1.077 2.269 -2.122 57 HD21 LEU 7 1HD2 LEU 7 -1.427 1.428 -5.429 58 HD22 LEU 7 2HD2 LEU 7 0.202 0.745 -5.424 59 HD23 LEU 7 3HD2 LEU 7 -0.024 2.486 -5.586 60 H LYS 8 H LYS 8 -3.205 -0.161 -0.861 61 HA LYS 8 HA LYS 8 -2.711 -2.905 -0.410 62 HB2 LYS 8 2HB LYS 8 -2.895 -1.283 1.404 63 HB3 LYS 8 1HB LYS 8 -4.569 -0.975 0.985 64 HG2 LYS 8 2HG LYS 8 -5.184 -3.210 1.669 65 HG3 LYS 8 1HG LYS 8 -3.491 -3.601 1.987 66 HD2 LYS 8 2HD LYS 8 -3.390 -1.928 3.725 67 HD3 LYS 8 1HD LYS 8 -5.032 -1.403 3.364 68 HE2 LYS 8 2HE LYS 8 -4.284 -4.165 4.294 69 HE3 LYS 8 1HE LYS 8 -4.860 -2.886 5.358 70 HZ1 LYS 8 1HZ LYS 8 -6.379 -4.089 3.099 71 HZ2 LYS 8 2HZ LYS 8 -6.926 -2.835 4.060 72 HZ3 LYS 8 3HZ LYS 8 -6.656 -4.346 4.734 73 H LYS 9 H LYS 9 -5.451 -1.169 -1.701 74 HA LYS 9 HA LYS 9 -7.165 -3.469 -1.709 75 HB2 LYS 9 2HB LYS 9 -8.063 -1.163 -1.635 76 HB3 LYS 9 1HB LYS 9 -7.393 -0.863 -3.231 77 HG2 LYS 9 2HG LYS 9 -8.861 -2.600 -4.160 78 HG3 LYS 9 1HG LYS 9 -9.546 -2.859 -2.555 79 HD2 LYS 9 2HD LYS 9 -10.298 -0.526 -2.510 80 HD3 LYS 9 1HD LYS 9 -9.630 -0.286 -4.122 81 HE2 LYS 9 2HE LYS 9 -11.820 -2.232 -3.400 82 HE3 LYS 9 1HE LYS 9 -12.051 -0.666 -4.167 83 HZ1 LYS 9 1HZ LYS 9 -10.680 -1.501 -6.050 84 HZ2 LYS 9 2HZ LYS 9 -12.091 -2.351 -5.845 85 HZ3 LYS 9 3HZ LYS 9 -10.651 -3.028 -5.331 86 H ARG 10 H ARG 10 -5.023 -1.836 -3.944 87 HA ARG 10 HA ARG 10 -5.705 -3.330 -6.258 88 HB2 ARG 10 2HB ARG 10 -3.140 -1.887 -5.614 89 HB3 ARG 10 1HB ARG 10 -3.584 -2.471 -7.199 90 HG2 ARG 10 2HG ARG 10 -5.469 -0.894 -7.231 91 HG3 ARG 10 1HG ARG 10 -4.984 -0.312 -5.632 92 HD2 ARG 10 2HD ARG 10 -2.701 0.123 -6.677 93 HD3 ARG 10 1HD ARG 10 -3.504 -0.120 -8.222 94 HE ARG 10 HE ARG 10 -4.945 1.780 -6.780 95 HH11 ARG 10 1HH1 ARG 10 -1.849 1.406 -8.479 96 HH12 ARG 10 2HH1 ARG 10 -1.612 3.078 -8.684 97 HH21 ARG 10 1HH2 ARG 10 -4.543 4.150 -7.033 98 HH22 ARG 10 2HH2 ARG 10 -3.136 4.620 -7.862 99 H TYR 11 H TYR 11 -3.277 -3.753 -3.707 100 HA TYR 11 HA TYR 11 -2.573 -6.315 -4.934 101 HB2 TYR 11 2HB TYR 11 -0.826 -4.613 -3.151 102 HB3 TYR 11 1HB TYR 11 -0.390 -6.124 -3.929 103 HD1 TYR 11 1HD TYR 11 -0.673 -2.553 -4.268 104 HD2 TYR 11 2HD TYR 11 -0.102 -6.173 -6.417 105 HE1 TYR 11 1HE TYR 11 0.185 -1.269 -6.177 106 HE2 TYR 11 2HE TYR 11 0.756 -4.914 -8.334 107 HH TYR 11 HH TYR 11 0.615 -2.659 -9.248 108 HA PRO 12 HA PRO 12 -4.171 -7.404 -0.757 109 HB2 PRO 12 2HB PRO 12 -5.454 -9.675 -2.012 110 HB3 PRO 12 1HB PRO 12 -6.218 -8.310 -1.196 111 HG2 PRO 12 2HG PRO 12 -6.421 -8.744 -3.884 112 HG3 PRO 12 1HG PRO 12 -6.488 -7.131 -3.152 113 HD2 PRO 12 2HD PRO 12 -4.186 -8.515 -4.474 114 HD3 PRO 12 1HD PRO 12 -4.730 -6.828 -4.641 115 H ASN 13 H ASN 13 -2.243 -8.838 -3.137 116 HA ASN 13 HA ASN 13 -1.521 -11.053 -1.342 117 HB2 ASN 13 2HB ASN 13 -1.226 -10.891 -4.353 118 HB3 ASN 13 1HB ASN 13 -0.580 -12.180 -3.359 119 HD21 ASN 13 1HD2 ASN 13 -2.555 -12.253 -5.496 120 HD22 ASN 13 2HD2 ASN 13 -3.960 -12.964 -4.809 121 H CYS 14 H CYS 14 -0.549 -8.092 -2.072 122 HA CYS 14 HA CYS 14 2.247 -8.805 -1.620 123 HB2 CYS 14 2HB CYS 14 1.350 -6.434 -3.297 124 HB3 CYS 14 1HB CYS 14 2.979 -6.954 -2.972 125 H GLU 15 H GLU 15 3.291 -7.326 -0.253 126 HA GLU 15 HA GLU 15 1.390 -5.902 1.438 127 HB2 GLU 15 2HB GLU 15 4.249 -6.684 1.920 128 HB3 GLU 15 1HB GLU 15 3.281 -5.731 3.030 129 HG2 GLU 15 2HG GLU 15 1.697 -7.615 3.168 130 HG3 GLU 15 1HG GLU 15 2.815 -8.567 2.188 131 H VAL 16 H VAL 16 1.350 -3.806 1.516 132 HA VAL 16 HA VAL 16 3.535 -2.459 0.207 133 HB VAL 16 HB VAL 16 1.512 -2.028 -1.017 134 HG11 VAL 16 1HG1 VAL 16 -0.468 -0.984 -0.077 135 HG12 VAL 16 2HG1 VAL 16 0.240 -1.098 1.542 136 HG13 VAL 16 3HG1 VAL 16 -0.134 -2.564 0.627 137 HG21 VAL 16 1HG2 VAL 16 2.224 0.387 0.637 138 HG22 VAL 16 2HG2 VAL 16 1.353 0.411 -0.900 139 HG23 VAL 16 3HG2 VAL 16 3.023 -0.152 -0.842 140 H ARG 17 H ARG 17 4.912 -1.751 1.442 141 HA ARG 17 HA ARG 17 4.485 -1.295 4.252 142 HB2 ARG 17 2HB ARG 17 6.858 -0.664 2.492 143 HB3 ARG 17 1HB ARG 17 6.848 -0.539 4.237 144 HG2 ARG 17 2HG ARG 17 6.525 -2.950 4.411 145 HG3 ARG 17 1HG ARG 17 6.499 -3.072 2.649 146 HD2 ARG 17 2HD ARG 17 8.697 -3.656 3.507 147 HD3 ARG 17 1HD ARG 17 8.781 -2.175 2.558 148 HE ARG 17 HE ARG 17 8.443 -1.743 5.383 149 HH11 ARG 17 1HH1 ARG 17 10.772 -1.913 2.702 150 HH12 ARG 17 2HH1 ARG 17 12.106 -1.476 3.662 151 HH21 ARG 17 1HH2 ARG 17 10.278 -1.036 6.676 152 HH22 ARG 17 2HH2 ARG 17 11.821 -0.917 5.987 153 H CYS 18 H CYS 18 3.343 0.444 4.769 154 HA CYS 18 HA CYS 18 3.832 2.874 3.225 155 HB2 CYS 18 2HB CYS 18 1.498 2.174 4.988 156 HB3 CYS 18 1HB CYS 18 1.663 3.624 4.002 157 H ASP 19 H ASP 19 5.285 4.024 4.147 158 HA ASP 19 HA ASP 19 5.022 4.607 7.003 159 HB2 ASP 19 2HB ASP 19 7.574 4.512 5.357 160 HB3 ASP 19 1HB ASP 19 7.480 5.248 6.947 161 HA DPR 20 HA DPR 20 4.871 8.939 5.917 162 HB2 DPR 20 1HB DPR 20 1.936 8.363 6.140 163 HB3 DPR 20 2HB DPR 20 2.883 9.668 6.878 164 HG2 DPR 20 1HG DPR 20 2.217 7.695 8.456 165 HG3 DPR 20 2HG DPR 20 3.950 8.191 8.311 166 HD2 DPR 20 1HD DPR 20 2.648 5.915 6.880 167 HD3 DPR 20 2HD DPR 20 4.017 5.896 8.024 168 HA PRO 21 HA PRO 21 3.076 8.941 1.805 169 HB2 PRO 21 2HB PRO 21 4.897 10.472 0.636 170 HB3 PRO 21 1HB PRO 21 3.793 11.157 1.836 171 HG2 PRO 21 2HG PRO 21 6.662 10.379 2.142 172 HG3 PRO 21 1HG PRO 21 5.797 11.769 2.818 173 HD2 PRO 21 2HD PRO 21 6.343 9.375 4.156 174 HD3 PRO 21 1HD PRO 21 5.147 10.592 4.643 175 H ARG 22 H ARG 22 5.651 7.257 3.028 176 HA ARG 22 HA ARG 22 6.710 6.503 0.408 177 HB2 ARG 22 2HB ARG 22 8.338 6.832 2.306 178 HB3 ARG 22 1HB ARG 22 7.610 5.438 3.096 179 HG2 ARG 22 2HG ARG 22 8.189 4.054 1.122 180 HG3 ARG 22 1HG ARG 22 9.021 5.442 0.432 181 HD2 ARG 22 2HD ARG 22 10.657 4.040 1.445 182 HD3 ARG 22 1HD ARG 22 10.474 5.471 2.458 183 HE ARG 22 HE ARG 22 8.884 3.912 3.764 184 HH11 ARG 22 1HH1 ARG 22 11.941 2.908 2.242 185 HH12 ARG 22 2HH1 ARG 22 12.258 1.690 3.368 186 HH21 ARG 22 1HH2 ARG 22 9.334 2.189 5.307 187 HH22 ARG 22 2HH2 ARG 22 10.779 1.291 5.134 188 H TYR 23 H TYR 23 5.665 5.033 -0.652 189 HA TYR 23 HA TYR 23 4.399 2.853 0.843 190 HB2 TYR 23 2HB TYR 23 3.665 3.769 -1.939 191 HB3 TYR 23 1HB TYR 23 2.754 2.724 -0.862 192 HD1 TYR 23 1HD TYR 23 3.029 5.943 -2.166 193 HD2 TYR 23 2HD TYR 23 1.969 3.907 1.397 194 HE1 TYR 23 1HE TYR 23 1.740 7.902 -1.455 195 HE2 TYR 23 2HE TYR 23 0.669 5.872 2.142 196 HH TYR 23 HH TYR 23 0.473 8.252 1.727 197 H GLU 24 H GLU 24 5.756 1.180 0.661 198 HA GLU 24 HA GLU 24 7.054 0.710 -1.944 199 HB2 GLU 24 2HB GLU 24 8.656 1.122 -0.110 200 HB3 GLU 24 1HB GLU 24 7.924 -0.158 0.834 201 HG2 GLU 24 2HG GLU 24 8.656 -1.798 -0.843 202 HG3 GLU 24 1HG GLU 24 9.403 -0.497 -1.768 203 H VAL 25 H VAL 25 5.853 -0.759 -3.011 204 HA VAL 25 HA VAL 25 4.495 -2.771 -1.430 205 HB VAL 25 HB VAL 25 3.065 -1.638 -3.040 206 HG11 VAL 25 1HG1 VAL 25 3.345 -1.904 -5.461 207 HG12 VAL 25 2HG1 VAL 25 4.923 -2.652 -5.171 208 HG13 VAL 25 3HG1 VAL 25 4.635 -0.974 -4.697 209 HG21 VAL 25 1HG2 VAL 25 2.521 -3.947 -2.547 210 HG22 VAL 25 2HG2 VAL 25 3.573 -4.496 -3.851 211 HG23 VAL 25 3HG2 VAL 25 2.116 -3.573 -4.223 212 H HIS 26 H HIS 26 5.152 -4.691 -1.172 213 HA HIS 26 HA HIS 26 7.216 -5.784 -2.959 214 HB2 HIS 26 2HB HIS 26 8.149 -5.063 -0.776 215 HB3 HIS 26 1HB HIS 26 6.967 -6.065 0.051 216 HD1 HIS 26 1HD HIS 26 7.451 -8.623 0.147 217 HD2 HIS 26 2HD HIS 26 10.290 -6.409 -1.930 218 HE1 HIS 26 1HE HIS 26 9.420 -10.152 -0.182 219 H CYS 27 H CYS 27 6.740 -7.785 -3.706 220 HA CYS 27 HA CYS 27 4.332 -9.070 -2.678 221 HB2 CYS 27 2HB CYS 27 5.746 -9.412 -5.338 222 HB3 CYS 27 1HB CYS 27 4.281 -10.254 -4.846 Start of MODEL 8 1 H1 ASN 1 1HT ASN 1 -7.409 9.222 1.164 2 H2 ASN 1 2HT ASN 1 -7.411 9.227 -0.495 3 H3 ASN 1 3HT ASN 1 -8.288 10.397 0.349 4 HA ASN 1 HA ASN 1 -6.281 11.332 -0.579 5 HB2 ASN 1 2HB ASN 1 -7.126 12.264 1.535 6 HB3 ASN 1 1HB ASN 1 -6.198 11.070 2.438 7 HD21 ASN 1 1HD2 ASN 1 -5.076 12.714 3.542 8 HD22 ASN 1 2HD2 ASN 1 -3.840 13.632 2.763 9 H ASP 2 H ASP 2 -5.543 8.721 1.746 10 HA ASP 2 HA ASP 2 -2.756 8.790 0.961 11 HB2 ASP 2 2HB ASP 2 -2.334 7.135 2.631 12 HB3 ASP 2 1HB ASP 2 -3.343 8.387 3.331 13 H LYS 3 H LYS 3 -1.609 7.377 -0.024 14 HA LYS 3 HA LYS 3 -3.038 5.852 -1.990 15 HB2 LYS 3 2HB LYS 3 -0.077 6.111 -1.498 16 HB3 LYS 3 1HB LYS 3 -0.817 5.326 -2.886 17 HG2 LYS 3 2HG LYS 3 -1.798 7.439 -3.566 18 HG3 LYS 3 1HG LYS 3 -1.079 8.227 -2.161 19 HD2 LYS 3 2HD LYS 3 1.148 7.621 -2.986 20 HD3 LYS 3 1HD LYS 3 0.412 6.876 -4.403 21 HE2 LYS 3 2HE LYS 3 0.260 9.779 -3.609 22 HE3 LYS 3 1HE LYS 3 1.210 9.107 -4.931 23 HZ1 LYS 3 1HZ LYS 3 -0.806 10.074 -5.755 24 HZ2 LYS 3 2HZ LYS 3 -1.745 9.164 -4.716 25 HZ3 LYS 3 3HZ LYS 3 -0.894 8.402 -5.973 26 H CYS 4 H CYS 4 -2.015 5.281 1.131 27 HA CYS 4 HA CYS 4 -1.028 2.652 0.890 28 HB2 CYS 4 2HB CYS 4 -0.811 4.081 2.974 29 HB3 CYS 4 1HB CYS 4 -2.520 3.798 3.259 30 H LYS 5 H LYS 5 -4.225 4.028 1.382 31 HA LYS 5 HA LYS 5 -5.601 1.556 1.521 32 HB2 LYS 5 2HB LYS 5 -6.563 4.268 0.622 33 HB3 LYS 5 1HB LYS 5 -7.613 2.870 0.816 34 HG2 LYS 5 2HG LYS 5 -7.101 2.756 3.172 35 HG3 LYS 5 1HG LYS 5 -5.936 4.070 2.999 36 HD2 LYS 5 2HD LYS 5 -8.040 4.867 3.946 37 HD3 LYS 5 1HD LYS 5 -7.730 5.594 2.374 38 HE2 LYS 5 2HE LYS 5 -10.053 4.972 2.601 39 HE3 LYS 5 1HE LYS 5 -9.293 4.014 1.337 40 HZ1 LYS 5 1HZ LYS 5 -9.799 3.081 4.114 41 HZ2 LYS 5 2HZ LYS 5 -9.165 2.147 2.870 42 HZ3 LYS 5 3HZ LYS 5 -10.744 2.705 2.778 43 H GLU 6 H GLU 6 -4.873 3.654 -1.226 44 HA GLU 6 HA GLU 6 -6.198 2.239 -3.236 45 HB2 GLU 6 2HB GLU 6 -5.421 4.529 -3.494 46 HB3 GLU 6 1HB GLU 6 -3.759 4.022 -3.279 47 HG2 GLU 6 2HG GLU 6 -4.118 4.491 -5.571 48 HG3 GLU 6 1HG GLU 6 -3.923 2.751 -5.373 49 H LEU 7 H LEU 7 -2.938 1.947 -1.893 50 HA LEU 7 HA LEU 7 -2.134 0.015 -3.819 51 HB2 LEU 7 2HB LEU 7 -0.836 0.763 -1.214 52 HB3 LEU 7 1HB LEU 7 -0.115 -0.260 -2.443 53 HG LEU 7 HG LEU 7 -0.774 2.672 -2.694 54 HD11 LEU 7 1HD1 LEU 7 1.176 2.238 -1.357 55 HD12 LEU 7 2HD1 LEU 7 1.627 2.946 -2.908 56 HD13 LEU 7 3HD1 LEU 7 1.845 1.218 -2.628 57 HD21 LEU 7 1HD2 LEU 7 0.456 0.823 -4.729 58 HD22 LEU 7 2HD2 LEU 7 0.283 2.568 -4.890 59 HD23 LEU 7 3HD2 LEU 7 -1.151 1.546 -4.837 60 H LYS 8 H LYS 8 -3.299 -0.273 -0.439 61 HA LYS 8 HA LYS 8 -2.928 -3.067 -0.335 62 HB2 LYS 8 2HB LYS 8 -4.871 -1.263 1.123 63 HB3 LYS 8 1HB LYS 8 -4.663 -2.967 1.478 64 HG2 LYS 8 2HG LYS 8 -2.544 -0.835 1.751 65 HG3 LYS 8 1HG LYS 8 -3.471 -1.547 3.070 66 HD2 LYS 8 2HD LYS 8 -2.510 -3.753 2.524 67 HD3 LYS 8 1HD LYS 8 -1.559 -3.007 1.241 68 HE2 LYS 8 2HE LYS 8 -0.150 -3.280 3.171 69 HE3 LYS 8 1HE LYS 8 -0.477 -1.569 2.949 70 HZ1 LYS 8 1HZ LYS 8 -2.111 -1.672 4.724 71 HZ2 LYS 8 2HZ LYS 8 -0.632 -2.256 5.261 72 HZ3 LYS 8 3HZ LYS 8 -1.856 -3.331 4.887 73 H LYS 9 H LYS 9 -5.453 -1.014 -1.492 74 HA LYS 9 HA LYS 9 -7.417 -2.906 -2.139 75 HB2 LYS 9 2HB LYS 9 -8.086 -0.677 -2.055 76 HB3 LYS 9 1HB LYS 9 -6.707 -0.128 -2.978 77 HG2 LYS 9 2HG LYS 9 -7.723 -1.080 -5.005 78 HG3 LYS 9 1HG LYS 9 -9.129 -1.563 -4.045 79 HD2 LYS 9 2HD LYS 9 -9.719 0.668 -3.583 80 HD3 LYS 9 1HD LYS 9 -8.144 1.277 -4.090 81 HE2 LYS 9 2HE LYS 9 -10.187 0.020 -5.918 82 HE3 LYS 9 1HE LYS 9 -9.926 1.755 -5.727 83 HZ1 LYS 9 1HZ LYS 9 -7.616 1.410 -6.477 84 HZ2 LYS 9 2HZ LYS 9 -8.744 0.955 -7.643 85 HZ3 LYS 9 3HZ LYS 9 -7.955 -0.221 -6.738 86 H ARG 10 H ARG 10 -4.688 -1.589 -3.964 87 HA ARG 10 HA ARG 10 -5.368 -2.967 -6.367 88 HB2 ARG 10 2HB ARG 10 -4.008 -0.821 -6.276 89 HB3 ARG 10 1HB ARG 10 -2.702 -1.786 -5.634 90 HG2 ARG 10 2HG ARG 10 -2.655 -3.153 -7.628 91 HG3 ARG 10 1HG ARG 10 -3.992 -2.231 -8.304 92 HD2 ARG 10 2HD ARG 10 -2.594 -0.212 -8.239 93 HD3 ARG 10 1HD ARG 10 -1.252 -1.181 -7.622 94 HE ARG 10 HE ARG 10 -2.357 -2.257 -9.991 95 HH11 ARG 10 1HH1 ARG 10 -0.080 0.226 -8.869 96 HH12 ARG 10 2HH1 ARG 10 0.813 0.223 -10.313 97 HH21 ARG 10 1HH2 ARG 10 -1.126 -2.217 -11.966 98 HH22 ARG 10 2HH2 ARG 10 0.206 -1.174 -12.094 99 H TYR 11 H TYR 11 -3.095 -3.553 -3.726 100 HA TYR 11 HA TYR 11 -2.375 -6.095 -5.010 101 HB2 TYR 11 2HB TYR 11 -0.823 -4.604 -2.886 102 HB3 TYR 11 1HB TYR 11 -0.328 -6.037 -3.771 103 HD1 TYR 11 1HD TYR 11 0.714 -5.821 -5.964 104 HD2 TYR 11 2HD TYR 11 -0.913 -2.418 -4.003 105 HE1 TYR 11 1HE TYR 11 1.854 -4.348 -7.567 106 HE2 TYR 11 2HE TYR 11 0.191 -0.953 -5.587 107 HH TYR 11 HH TYR 11 2.142 -1.017 -7.022 108 HA PRO 12 HA PRO 12 -4.588 -7.372 -1.202 109 HB2 PRO 12 2HB PRO 12 -5.526 -9.653 -2.717 110 HB3 PRO 12 1HB PRO 12 -6.476 -8.329 -2.040 111 HG2 PRO 12 2HG PRO 12 -6.149 -8.695 -4.716 112 HG3 PRO 12 1HG PRO 12 -6.379 -7.097 -3.986 113 HD2 PRO 12 2HD PRO 12 -3.843 -8.437 -4.852 114 HD3 PRO 12 1HD PRO 12 -4.375 -6.759 -5.115 115 H ASN 13 H ASN 13 -2.299 -8.857 -3.242 116 HA ASN 13 HA ASN 13 -1.838 -10.993 -1.268 117 HB2 ASN 13 2HB ASN 13 -1.070 -10.914 -4.188 118 HB3 ASN 13 1HB ASN 13 -0.524 -12.138 -3.055 119 HD21 ASN 13 1HD2 ASN 13 -1.979 -13.649 -2.285 120 HD22 ASN 13 2HD2 ASN 13 -3.514 -13.896 -3.041 121 H CYS 14 H CYS 14 -0.418 -8.264 -2.792 122 HA CYS 14 HA CYS 14 2.206 -9.013 -1.817 123 HB2 CYS 14 2HB CYS 14 1.415 -6.474 -3.262 124 HB3 CYS 14 1HB CYS 14 3.026 -7.035 -2.911 125 H GLU 15 H GLU 15 3.403 -7.753 -0.373 126 HA GLU 15 HA GLU 15 1.727 -6.606 1.700 127 HB2 GLU 15 2HB GLU 15 4.693 -7.150 1.792 128 HB3 GLU 15 1HB GLU 15 3.647 -6.786 3.147 129 HG2 GLU 15 2HG GLU 15 2.452 -8.900 2.739 130 HG3 GLU 15 1HG GLU 15 3.615 -9.272 1.464 131 H VAL 16 H VAL 16 1.459 -4.492 1.680 132 HA VAL 16 HA VAL 16 3.444 -2.808 0.348 133 HB VAL 16 HB VAL 16 0.620 -2.085 1.161 134 HG11 VAL 16 1HG1 VAL 16 0.921 -0.158 -0.324 135 HG12 VAL 16 2HG1 VAL 16 2.587 -0.656 -0.622 136 HG13 VAL 16 3HG1 VAL 16 2.089 -0.166 0.997 137 HG21 VAL 16 1HG2 VAL 16 0.581 -3.826 -0.562 138 HG22 VAL 16 2HG2 VAL 16 1.639 -2.844 -1.580 139 HG23 VAL 16 3HG2 VAL 16 0.013 -2.285 -1.200 140 H ARG 17 H ARG 17 4.760 -1.740 1.611 141 HA ARG 17 HA ARG 17 3.925 -1.214 4.348 142 HB2 ARG 17 2HB ARG 17 6.633 -1.354 3.073 143 HB3 ARG 17 1HB ARG 17 6.427 -0.311 4.470 144 HG2 ARG 17 2HG ARG 17 7.265 -2.429 5.206 145 HG3 ARG 17 1HG ARG 17 5.605 -2.263 5.756 146 HD2 ARG 17 2HD ARG 17 4.915 -3.652 3.776 147 HD3 ARG 17 1HD ARG 17 6.627 -3.942 3.465 148 HE ARG 17 HE ARG 17 5.673 -4.541 6.131 149 HH11 ARG 17 1HH1 ARG 17 6.745 -5.904 3.024 150 HH12 ARG 17 2HH1 ARG 17 6.604 -7.525 3.564 151 HH21 ARG 17 1HH2 ARG 17 5.618 -6.733 6.843 152 HH22 ARG 17 2HH2 ARG 17 6.026 -8.002 5.791 153 H CYS 18 H CYS 18 3.384 0.672 5.001 154 HA CYS 18 HA CYS 18 3.454 2.867 3.055 155 HB2 CYS 18 2HB CYS 18 1.438 2.335 5.240 156 HB3 CYS 18 1HB CYS 18 1.360 3.594 4.019 157 H ASP 19 H ASP 19 4.977 4.296 3.770 158 HA ASP 19 HA ASP 19 4.871 4.923 6.618 159 HB2 ASP 19 2HB ASP 19 6.959 3.677 6.021 160 HB3 ASP 19 1HB ASP 19 7.371 4.982 4.914 161 HA DPR 20 HA DPR 20 4.665 9.247 5.487 162 HB2 DPR 20 1HB DPR 20 1.730 8.678 5.653 163 HB3 DPR 20 2HB DPR 20 2.668 9.970 6.424 164 HG2 DPR 20 1HG DPR 20 1.949 7.977 7.952 165 HG3 DPR 20 2HG DPR 20 3.678 8.486 7.880 166 HD2 DPR 20 1HD DPR 20 2.440 6.207 6.402 167 HD3 DPR 20 2HD DPR 20 3.793 6.205 7.563 168 HA PRO 21 HA PRO 21 2.954 9.231 1.290 169 HB2 PRO 21 2HB PRO 21 4.618 11.032 0.268 170 HB3 PRO 21 1HB PRO 21 3.374 11.535 1.418 171 HG2 PRO 21 2HG PRO 21 6.302 11.168 1.837 172 HG3 PRO 21 1HG PRO 21 5.204 12.350 2.564 173 HD2 PRO 21 2HD PRO 21 6.086 9.935 3.729 174 HD3 PRO 21 1HD PRO 21 4.777 10.984 4.312 175 H ARG 22 H ARG 22 5.351 7.653 2.584 176 HA ARG 22 HA ARG 22 6.833 7.058 0.107 177 HB2 ARG 22 2HB ARG 22 8.168 7.909 2.000 178 HB3 ARG 22 1HB ARG 22 7.523 6.641 3.018 179 HG2 ARG 22 2HG ARG 22 8.688 4.977 1.694 180 HG3 ARG 22 1HG ARG 22 9.318 6.250 0.643 181 HD2 ARG 22 2HD ARG 22 9.811 6.035 3.617 182 HD3 ARG 22 1HD ARG 22 10.961 5.586 2.360 183 HE ARG 22 HE ARG 22 10.261 8.174 1.836 184 HH11 ARG 22 1HH1 ARG 22 11.624 6.597 4.675 185 HH12 ARG 22 2HH1 ARG 22 12.701 7.841 5.063 186 HH21 ARG 22 1HH2 ARG 22 11.687 9.966 2.394 187 HH22 ARG 22 2HH2 ARG 22 12.725 9.831 3.727 188 H TYR 23 H TYR 23 6.405 5.078 -0.776 189 HA TYR 23 HA TYR 23 5.094 3.066 0.924 190 HB2 TYR 23 2HB TYR 23 4.212 3.845 -1.865 191 HB3 TYR 23 1HB TYR 23 3.497 2.594 -0.861 192 HD1 TYR 23 1HD TYR 23 2.329 3.293 1.268 193 HD2 TYR 23 2HD TYR 23 3.508 6.099 -1.695 194 HE1 TYR 23 1HE TYR 23 0.783 4.943 2.218 195 HE2 TYR 23 2HE TYR 23 1.965 7.755 -0.758 196 HH TYR 23 HH TYR 23 0.538 7.377 2.282 197 H GLU 24 H GLU 24 5.607 0.949 0.424 198 HA GLU 24 HA GLU 24 7.024 0.396 -2.040 199 HB2 GLU 24 2HB GLU 24 8.810 -0.899 -0.851 200 HB3 GLU 24 1HB GLU 24 8.890 0.830 -0.567 201 HG2 GLU 24 2HG GLU 24 7.843 0.515 1.623 202 HG3 GLU 24 1HG GLU 24 7.754 -1.220 1.315 203 H VAL 25 H VAL 25 6.533 -1.569 -2.884 204 HA VAL 25 HA VAL 25 4.757 -3.183 -1.228 205 HB VAL 25 HB VAL 25 3.423 -2.092 -2.894 206 HG11 VAL 25 1HG1 VAL 25 5.125 -1.548 -4.524 207 HG12 VAL 25 2HG1 VAL 25 3.797 -2.416 -5.310 208 HG13 VAL 25 3HG1 VAL 25 5.307 -3.256 -4.925 209 HG21 VAL 25 1HG2 VAL 25 2.439 -3.996 -4.063 210 HG22 VAL 25 2HG2 VAL 25 2.833 -4.404 -2.389 211 HG23 VAL 25 3HG2 VAL 25 3.869 -4.957 -3.700 212 H HIS 26 H HIS 26 5.163 -5.185 -0.951 213 HA HIS 26 HA HIS 26 7.483 -6.380 -2.289 214 HB2 HIS 26 2HB HIS 26 6.148 -6.962 0.337 215 HB3 HIS 26 1HB HIS 26 7.484 -7.895 -0.326 216 HD1 HIS 26 1HD HIS 26 6.727 -4.406 1.013 217 HD2 HIS 26 2HD HIS 26 9.923 -6.913 0.176 218 HE1 HIS 26 1HE HIS 26 8.784 -3.298 2.010 219 H CYS 27 H CYS 27 6.877 -7.791 -3.844 220 HA CYS 27 HA CYS 27 4.575 -9.504 -3.259 221 HB2 CYS 27 2HB CYS 27 5.849 -8.868 -5.934 222 HB3 CYS 27 1HB CYS 27 4.468 -9.927 -5.693 Start of MODEL 9 1 H1 ASN 1 1HT ASN 1 -8.795 7.703 -0.754 2 H2 ASN 1 2HT ASN 1 -8.335 8.655 -2.059 3 H3 ASN 1 3HT ASN 1 -9.836 8.884 -1.333 4 HA ASN 1 HA ASN 1 -8.288 10.611 -0.718 5 HB2 ASN 1 2HB ASN 1 -10.045 10.035 0.881 6 HB3 ASN 1 1HB ASN 1 -9.038 8.755 1.554 7 HD21 ASN 1 1HD2 ASN 1 -8.883 9.578 3.586 8 HD22 ASN 1 2HD2 ASN 1 -8.052 11.037 3.966 9 H ASP 2 H ASP 2 -7.295 7.589 0.925 10 HA ASP 2 HA ASP 2 -4.650 8.755 1.223 11 HB2 ASP 2 2HB ASP 2 -5.654 7.909 3.263 12 HB3 ASP 2 1HB ASP 2 -5.914 6.335 2.515 13 H LYS 3 H LYS 3 -2.841 7.864 0.394 14 HA LYS 3 HA LYS 3 -3.268 6.315 -1.948 15 HB2 LYS 3 2HB LYS 3 -0.731 7.396 -0.758 16 HB3 LYS 3 1HB LYS 3 -0.846 6.599 -2.318 17 HG2 LYS 3 2HG LYS 3 -2.457 8.374 -3.031 18 HG3 LYS 3 1HG LYS 3 -2.147 9.197 -1.503 19 HD2 LYS 3 2HD LYS 3 -0.792 10.184 -3.257 20 HD3 LYS 3 1HD LYS 3 0.249 9.339 -2.109 21 HE2 LYS 3 2HE LYS 3 0.391 7.430 -3.606 22 HE3 LYS 3 1HE LYS 3 -0.700 8.216 -4.748 23 HZ1 LYS 3 1HZ LYS 3 1.587 8.395 -5.411 24 HZ2 LYS 3 2HZ LYS 3 2.009 9.152 -3.977 25 HZ3 LYS 3 3HZ LYS 3 0.983 9.923 -5.073 26 H CYS 4 H CYS 4 -2.398 5.452 1.300 27 HA CYS 4 HA CYS 4 -0.986 3.078 0.504 28 HB2 CYS 4 2HB CYS 4 -0.594 4.154 2.771 29 HB3 CYS 4 1HB CYS 4 -2.236 3.706 3.186 30 H LYS 5 H LYS 5 -4.183 3.944 1.649 31 HA LYS 5 HA LYS 5 -5.380 1.397 1.662 32 HB2 LYS 5 2HB LYS 5 -6.717 3.983 0.830 33 HB3 LYS 5 1HB LYS 5 -7.521 2.542 1.416 34 HG2 LYS 5 2HG LYS 5 -5.682 4.316 3.010 35 HG3 LYS 5 1HG LYS 5 -7.443 4.281 3.113 36 HD2 LYS 5 2HD LYS 5 -7.320 1.953 3.880 37 HD3 LYS 5 1HD LYS 5 -5.556 2.034 3.807 38 HE2 LYS 5 2HE LYS 5 -5.625 3.918 5.419 39 HE3 LYS 5 1HE LYS 5 -7.366 3.707 5.539 40 HZ1 LYS 5 1HZ LYS 5 -7.008 1.485 6.444 41 HZ2 LYS 5 2HZ LYS 5 -6.113 2.613 7.340 42 HZ3 LYS 5 3HZ LYS 5 -5.355 1.666 6.217 43 H GLU 6 H GLU 6 -4.792 3.672 -0.881 44 HA GLU 6 HA GLU 6 -6.183 2.480 -2.991 45 HB2 GLU 6 2HB GLU 6 -5.386 4.790 -2.942 46 HB3 GLU 6 1HB GLU 6 -3.731 4.226 -2.911 47 HG2 GLU 6 2HG GLU 6 -4.368 5.056 -5.082 48 HG3 GLU 6 1HG GLU 6 -3.953 3.344 -5.124 49 H LEU 7 H LEU 7 -2.680 2.364 -2.188 50 HA LEU 7 HA LEU 7 -2.105 0.443 -4.196 51 HB2 LEU 7 2HB LEU 7 -0.500 1.239 -1.788 52 HB3 LEU 7 1HB LEU 7 0.080 0.170 -3.044 53 HG LEU 7 HG LEU 7 -0.650 3.072 -3.375 54 HD11 LEU 7 1HD1 LEU 7 1.745 3.357 -3.760 55 HD12 LEU 7 2HD1 LEU 7 1.998 1.647 -3.409 56 HD13 LEU 7 3HD1 LEU 7 1.408 2.731 -2.148 57 HD21 LEU 7 1HD2 LEU 7 0.450 1.088 -5.369 58 HD22 LEU 7 2HD2 LEU 7 0.301 2.822 -5.635 59 HD23 LEU 7 3HD2 LEU 7 -1.147 1.842 -5.422 60 H LYS 8 H LYS 8 -2.896 0.113 -0.803 61 HA LYS 8 HA LYS 8 -2.193 -2.638 -0.621 62 HB2 LYS 8 2HB LYS 8 -2.466 -0.978 1.283 63 HB3 LYS 8 1HB LYS 8 -4.199 -1.147 1.060 64 HG2 LYS 8 2HG LYS 8 -4.010 -3.544 1.561 65 HG3 LYS 8 1HG LYS 8 -2.280 -3.338 1.817 66 HD2 LYS 8 2HD LYS 8 -3.355 -3.328 3.966 67 HD3 LYS 8 1HD LYS 8 -2.810 -1.688 3.616 68 HE2 LYS 8 2HE LYS 8 -5.037 -1.644 4.572 69 HE3 LYS 8 1HE LYS 8 -5.102 -1.104 2.898 70 HZ1 LYS 8 1HZ LYS 8 -5.831 -3.790 3.923 71 HZ2 LYS 8 2HZ LYS 8 -5.845 -3.365 2.291 72 HZ3 LYS 8 3HZ LYS 8 -6.900 -2.609 3.357 73 H LYS 9 H LYS 9 -4.936 -0.928 -1.823 74 HA LYS 9 HA LYS 9 -6.651 -3.262 -1.842 75 HB2 LYS 9 2HB LYS 9 -7.489 -0.872 -1.594 76 HB3 LYS 9 1HB LYS 9 -7.054 -0.628 -3.277 77 HG2 LYS 9 2HG LYS 9 -9.396 -1.046 -3.169 78 HG3 LYS 9 1HG LYS 9 -8.626 -2.467 -3.878 79 HD2 LYS 9 2HD LYS 9 -8.684 -3.576 -1.668 80 HD3 LYS 9 1HD LYS 9 -9.496 -2.161 -1.001 81 HE2 LYS 9 2HE LYS 9 -10.546 -3.995 -3.155 82 HE3 LYS 9 1HE LYS 9 -11.089 -3.913 -1.485 83 HZ1 LYS 9 1HZ LYS 9 -11.797 -1.608 -1.908 84 HZ2 LYS 9 2HZ LYS 9 -12.604 -2.757 -2.815 85 HZ3 LYS 9 3HZ LYS 9 -11.425 -1.809 -3.553 86 H ARG 10 H ARG 10 -4.549 -1.469 -3.952 87 HA ARG 10 HA ARG 10 -5.199 -2.785 -6.393 88 HB2 ARG 10 2HB ARG 10 -3.893 -0.546 -6.032 89 HB3 ARG 10 1HB ARG 10 -2.540 -1.604 -5.751 90 HG2 ARG 10 2HG ARG 10 -2.625 -2.512 -7.922 91 HG3 ARG 10 1HG ARG 10 -4.168 -1.721 -8.262 92 HD2 ARG 10 2HD ARG 10 -1.524 -0.395 -7.760 93 HD3 ARG 10 1HD ARG 10 -2.396 -0.487 -9.300 94 HE ARG 10 HE ARG 10 -4.130 0.646 -7.513 95 HH11 ARG 10 1HH1 ARG 10 -0.998 1.542 -8.921 96 HH12 ARG 10 2HH1 ARG 10 -1.228 3.201 -8.678 97 HH21 ARG 10 1HH2 ARG 10 -4.446 2.942 -7.238 98 HH22 ARG 10 2HH2 ARG 10 -3.217 4.006 -7.750 99 H TYR 11 H TYR 11 -2.913 -3.352 -3.800 100 HA TYR 11 HA TYR 11 -2.286 -5.919 -5.040 101 HB2 TYR 11 2HB TYR 11 -0.382 -4.248 -3.381 102 HB3 TYR 11 1HB TYR 11 -0.031 -5.789 -4.147 103 HD1 TYR 11 1HD TYR 11 0.357 -5.907 -6.557 104 HD2 TYR 11 2HD TYR 11 -0.450 -2.206 -4.637 105 HE1 TYR 11 1HE TYR 11 1.160 -4.713 -8.539 106 HE2 TYR 11 2HE TYR 11 0.322 -0.990 -6.590 107 HH TYR 11 HH TYR 11 1.912 -1.465 -8.553 108 HA PRO 12 HA PRO 12 -3.975 -6.524 -0.761 109 HB2 PRO 12 2HB PRO 12 -5.605 -8.649 -1.909 110 HB3 PRO 12 1HB PRO 12 -6.133 -7.181 -1.086 111 HG2 PRO 12 2HG PRO 12 -6.521 -7.570 -3.737 112 HG3 PRO 12 1HG PRO 12 -6.247 -5.967 -3.037 113 HD2 PRO 12 2HD PRO 12 -4.284 -7.776 -4.413 114 HD3 PRO 12 1HD PRO 12 -4.539 -6.028 -4.624 115 H ASN 13 H ASN 13 -2.524 -8.504 -3.144 116 HA ASN 13 HA ASN 13 -2.165 -10.746 -1.302 117 HB2 ASN 13 2HB ASN 13 -1.043 -10.517 -4.110 118 HB3 ASN 13 1HB ASN 13 -1.191 -11.962 -3.139 119 HD21 ASN 13 1HD2 ASN 13 -2.162 -11.440 -5.790 120 HD22 ASN 13 2HD2 ASN 13 -3.856 -11.713 -5.771 121 H CYS 14 H CYS 14 -0.503 -8.031 -2.638 122 HA CYS 14 HA CYS 14 2.090 -8.960 -1.720 123 HB2 CYS 14 2HB CYS 14 1.332 -6.277 -2.888 124 HB3 CYS 14 1HB CYS 14 2.951 -6.880 -2.623 125 H GLU 15 H GLU 15 3.366 -7.424 -0.357 126 HA GLU 15 HA GLU 15 1.657 -6.509 1.827 127 HB2 GLU 15 2HB GLU 15 3.430 -8.242 2.280 128 HB3 GLU 15 1HB GLU 15 4.636 -7.047 1.833 129 HG2 GLU 15 2HG GLU 15 3.902 -5.620 3.676 130 HG3 GLU 15 1HG GLU 15 2.694 -6.827 4.116 131 H VAL 16 H VAL 16 1.163 -4.450 1.384 132 HA VAL 16 HA VAL 16 3.130 -2.714 0.188 133 HB VAL 16 HB VAL 16 0.295 -2.063 1.057 134 HG11 VAL 16 1HG1 VAL 16 1.723 -0.095 0.842 135 HG12 VAL 16 2HG1 VAL 16 0.514 -0.139 -0.441 136 HG13 VAL 16 3HG1 VAL 16 2.183 -0.594 -0.788 137 HG21 VAL 16 1HG2 VAL 16 1.350 -2.859 -1.656 138 HG22 VAL 16 2HG2 VAL 16 -0.275 -2.269 -1.340 139 HG23 VAL 16 3HG2 VAL 16 0.258 -3.802 -0.642 140 H ARG 17 H ARG 17 4.575 -1.956 1.448 141 HA ARG 17 HA ARG 17 4.026 -1.435 4.250 142 HB2 ARG 17 2HB ARG 17 6.610 -1.371 2.674 143 HB3 ARG 17 1HB ARG 17 6.469 -1.257 4.426 144 HG2 ARG 17 2HG ARG 17 5.574 -3.518 4.532 145 HG3 ARG 17 1HG ARG 17 5.608 -3.628 2.778 146 HD2 ARG 17 2HD ARG 17 8.030 -3.403 2.813 147 HD3 ARG 17 1HD ARG 17 8.000 -3.295 4.574 148 HE ARG 17 HE ARG 17 6.758 -5.629 4.178 149 HH11 ARG 17 1HH1 ARG 17 9.730 -4.391 2.737 150 HH12 ARG 17 2HH1 ARG 17 10.475 -5.906 2.608 151 HH21 ARG 17 1HH2 ARG 17 7.726 -7.707 3.955 152 HH22 ARG 17 2HH2 ARG 17 9.280 -7.853 3.279 153 H CYS 18 H CYS 18 3.373 0.515 4.758 154 HA CYS 18 HA CYS 18 3.995 2.750 2.951 155 HB2 CYS 18 2HB CYS 18 1.603 2.440 4.764 156 HB3 CYS 18 1HB CYS 18 1.892 3.703 3.576 157 H ASP 19 H ASP 19 5.500 3.988 3.919 158 HA ASP 19 HA ASP 19 5.011 4.704 6.723 159 HB2 ASP 19 2HB ASP 19 7.131 3.420 6.531 160 HB3 ASP 19 1HB ASP 19 7.727 4.587 5.355 161 HA DPR 20 HA DPR 20 5.104 9.004 5.421 162 HB2 DPR 20 1HB DPR 20 2.153 8.534 5.235 163 HB3 DPR 20 2HB DPR 20 3.030 9.833 6.062 164 HG2 DPR 20 1HG DPR 20 2.042 7.941 7.573 165 HG3 DPR 20 2HG DPR 20 3.786 8.389 7.708 166 HD2 DPR 20 1HD DPR 20 2.668 6.071 6.186 167 HD3 DPR 20 2HD DPR 20 3.851 6.083 7.516 168 HA PRO 21 HA PRO 21 3.932 8.731 1.072 169 HB2 PRO 21 2HB PRO 21 5.925 10.168 0.081 170 HB3 PRO 21 1HB PRO 21 4.668 10.949 1.048 171 HG2 PRO 21 2HG PRO 21 7.454 10.207 1.813 172 HG3 PRO 21 1HG PRO 21 6.498 11.617 2.296 173 HD2 PRO 21 2HD PRO 21 6.860 9.255 3.786 174 HD3 PRO 21 1HD PRO 21 5.658 10.525 4.098 175 H ARG 22 H ARG 22 6.190 7.110 2.791 176 HA ARG 22 HA ARG 22 7.784 6.125 0.544 177 HB2 ARG 22 2HB ARG 22 7.801 5.349 3.459 178 HB3 ARG 22 1HB ARG 22 8.903 4.719 2.248 179 HG2 ARG 22 2HG ARG 22 9.939 6.858 1.992 180 HG3 ARG 22 1HG ARG 22 8.715 7.622 3.013 181 HD2 ARG 22 2HD ARG 22 9.433 6.331 4.914 182 HD3 ARG 22 1HD ARG 22 10.583 5.442 3.921 183 HE ARG 22 HE ARG 22 11.572 7.776 3.558 184 HH11 ARG 22 1HH1 ARG 22 9.973 6.835 6.617 185 HH12 ARG 22 2HH1 ARG 22 11.095 7.665 7.576 186 HH21 ARG 22 1HH2 ARG 22 13.082 8.910 4.927 187 HH22 ARG 22 2HH2 ARG 22 12.896 8.860 6.617 188 H TYR 23 H TYR 23 6.537 4.908 -0.695 189 HA TYR 23 HA TYR 23 4.945 2.810 0.584 190 HB2 TYR 23 2HB TYR 23 4.703 4.035 -2.162 191 HB3 TYR 23 1HB TYR 23 3.723 2.698 -1.569 192 HD1 TYR 23 1HD TYR 23 4.055 6.254 -1.743 193 HD2 TYR 23 2HD TYR 23 2.326 3.097 0.503 194 HE1 TYR 23 1HE TYR 23 2.494 7.844 -0.717 195 HE2 TYR 23 2HE TYR 23 0.776 4.657 1.523 196 HH TYR 23 HH TYR 23 0.622 6.978 1.996 197 H GLU 24 H GLU 24 5.824 0.898 0.566 198 HA GLU 24 HA GLU 24 7.288 0.132 -1.824 199 HB2 GLU 24 2HB GLU 24 7.915 -0.649 1.012 200 HB3 GLU 24 1HB GLU 24 8.594 -1.456 -0.390 201 HG2 GLU 24 2HG GLU 24 9.479 0.809 -1.082 202 HG3 GLU 24 1HG GLU 24 9.037 1.358 0.536 203 H VAL 25 H VAL 25 6.096 -1.225 -2.883 204 HA VAL 25 HA VAL 25 4.362 -2.988 -1.389 205 HB VAL 25 HB VAL 25 3.116 -1.858 -3.077 206 HG11 VAL 25 1HG1 VAL 25 4.898 -1.080 -4.519 207 HG12 VAL 25 2HG1 VAL 25 3.678 -1.912 -5.484 208 HG13 VAL 25 3HG1 VAL 25 5.191 -2.723 -5.084 209 HG21 VAL 25 1HG2 VAL 25 2.543 -4.205 -2.856 210 HG22 VAL 25 2HG2 VAL 25 3.724 -4.626 -4.096 211 HG23 VAL 25 3HG2 VAL 25 2.305 -3.667 -4.518 212 H HIS 26 H HIS 26 5.354 -4.664 -0.685 213 HA HIS 26 HA HIS 26 7.429 -5.923 -2.297 214 HB2 HIS 26 2HB HIS 26 7.766 -5.271 0.139 215 HB3 HIS 26 1HB HIS 26 6.605 -6.519 0.552 216 HD1 HIS 26 1HD HIS 26 10.110 -6.051 -0.710 217 HD2 HIS 26 2HD HIS 26 7.586 -9.115 0.499 218 HE1 HIS 26 1HE HIS 26 11.578 -8.082 -0.406 219 H CYS 27 H CYS 27 6.714 -7.429 -3.623 220 HA CYS 27 HA CYS 27 4.347 -8.971 -2.911 221 HB2 CYS 27 2HB CYS 27 5.752 -8.621 -5.566 222 HB3 CYS 27 1HB CYS 27 4.330 -9.625 -5.304 Start of MODEL 10 1 H1 ASN 1 1HT ASN 1 -8.450 9.926 -1.440 2 H2 ASN 1 2HT ASN 1 -9.752 8.940 -1.874 3 H3 ASN 1 3HT ASN 1 -8.218 8.698 -2.562 4 HA ASN 1 HA ASN 1 -8.861 8.376 0.280 5 HB2 ASN 1 2HB ASN 1 -8.420 6.324 -1.915 6 HB3 ASN 1 1HB ASN 1 -8.339 5.930 -0.204 7 HD21 ASN 1 1HD2 ASN 1 -10.066 4.483 -0.419 8 HD22 ASN 1 2HD2 ASN 1 -11.689 5.026 -0.582 9 H ASP 2 H ASP 2 -7.054 7.008 1.225 10 HA ASP 2 HA ASP 2 -4.631 8.479 0.867 11 HB2 ASP 2 2HB ASP 2 -5.234 6.010 2.505 12 HB3 ASP 2 1HB ASP 2 -3.721 6.906 2.587 13 H LYS 3 H LYS 3 -2.663 7.725 0.020 14 HA LYS 3 HA LYS 3 -2.997 6.039 -2.210 15 HB2 LYS 3 2HB LYS 3 -1.264 7.840 -2.206 16 HB3 LYS 3 1HB LYS 3 -0.390 6.956 -0.968 17 HG2 LYS 3 2HG LYS 3 0.067 5.153 -2.451 18 HG3 LYS 3 1HG LYS 3 -0.992 5.828 -3.684 19 HD2 LYS 3 2HD LYS 3 0.518 7.713 -3.977 20 HD3 LYS 3 1HD LYS 3 1.547 7.114 -2.672 21 HE2 LYS 3 2HE LYS 3 2.042 5.110 -3.940 22 HE3 LYS 3 1HE LYS 3 0.950 5.618 -5.224 23 HZ1 LYS 3 1HZ LYS 3 2.393 7.444 -5.725 24 HZ2 LYS 3 2HZ LYS 3 3.309 6.040 -5.707 25 HZ3 LYS 3 3HZ LYS 3 3.381 7.107 -4.406 26 H CYS 4 H CYS 4 -1.714 5.492 0.991 27 HA CYS 4 HA CYS 4 -0.698 2.915 0.529 28 HB2 CYS 4 2HB CYS 4 -0.182 4.242 2.549 29 HB3 CYS 4 1HB CYS 4 -1.850 4.055 3.078 30 H LYS 5 H LYS 5 -3.904 4.070 1.394 31 HA LYS 5 HA LYS 5 -5.042 1.493 1.813 32 HB2 LYS 5 2HB LYS 5 -6.375 4.138 1.190 33 HB3 LYS 5 1HB LYS 5 -7.212 2.696 1.739 34 HG2 LYS 5 2HG LYS 5 -5.079 4.132 3.321 35 HG3 LYS 5 1HG LYS 5 -6.814 4.385 3.522 36 HD2 LYS 5 2HD LYS 5 -5.444 1.707 3.865 37 HD3 LYS 5 1HD LYS 5 -5.737 2.833 5.186 38 HE2 LYS 5 2HE LYS 5 -8.122 2.697 4.833 39 HE3 LYS 5 1HE LYS 5 -7.895 1.682 3.414 40 HZ1 LYS 5 1HZ LYS 5 -7.117 0.928 6.186 41 HZ2 LYS 5 2HZ LYS 5 -6.994 -0.043 4.811 42 HZ3 LYS 5 3HZ LYS 5 -8.497 0.410 5.378 43 H GLU 6 H GLU 6 -4.760 3.674 -0.942 44 HA GLU 6 HA GLU 6 -6.366 2.106 -2.637 45 HB2 GLU 6 2HB GLU 6 -5.933 4.528 -2.996 46 HB3 GLU 6 1HB GLU 6 -4.255 4.155 -3.360 47 HG2 GLU 6 2HG GLU 6 -4.845 2.993 -5.315 48 HG3 GLU 6 1HG GLU 6 -6.555 3.016 -4.895 49 H LEU 7 H LEU 7 -2.892 2.205 -1.954 50 HA LEU 7 HA LEU 7 -2.169 0.285 -3.911 51 HB2 LEU 7 2HB LEU 7 -0.789 0.974 -1.314 52 HB3 LEU 7 1HB LEU 7 -0.097 -0.028 -2.571 53 HG LEU 7 HG LEU 7 -0.769 2.907 -2.806 54 HD11 LEU 7 1HD1 LEU 7 1.870 1.481 -2.664 55 HD12 LEU 7 2HD1 LEU 7 1.157 2.503 -1.414 56 HD13 LEU 7 3HD1 LEU 7 1.644 3.204 -2.957 57 HD21 LEU 7 1HD2 LEU 7 -1.078 1.801 -4.942 58 HD22 LEU 7 2HD2 LEU 7 0.511 1.042 -4.802 59 HD23 LEU 7 3HD2 LEU 7 0.379 2.791 -4.974 60 H LYS 8 H LYS 8 -3.236 0.016 -0.588 61 HA LYS 8 HA LYS 8 -2.965 -2.737 -0.183 62 HB2 LYS 8 2HB LYS 8 -3.580 -1.283 1.642 63 HB3 LYS 8 1HB LYS 8 -5.011 -0.738 0.796 64 HG2 LYS 8 2HG LYS 8 -5.657 -2.204 2.587 65 HG3 LYS 8 1HG LYS 8 -5.996 -2.991 1.049 66 HD2 LYS 8 2HD LYS 8 -5.075 -4.594 2.593 67 HD3 LYS 8 1HD LYS 8 -3.894 -4.287 1.321 68 HE2 LYS 8 2HE LYS 8 -2.632 -2.841 2.777 69 HE3 LYS 8 1HE LYS 8 -3.878 -2.953 4.022 70 HZ1 LYS 8 1HZ LYS 8 -3.396 -5.267 4.267 71 HZ2 LYS 8 2HZ LYS 8 -1.982 -4.368 4.452 72 HZ3 LYS 8 3HZ LYS 8 -2.261 -5.213 3.020 73 H LYS 9 H LYS 9 -5.374 -0.868 -1.869 74 HA LYS 9 HA LYS 9 -7.147 -3.050 -2.379 75 HB2 LYS 9 2HB LYS 9 -7.979 -0.745 -2.291 76 HB3 LYS 9 1HB LYS 9 -6.957 -0.313 -3.651 77 HG2 LYS 9 2HG LYS 9 -8.217 -1.766 -5.107 78 HG3 LYS 9 1HG LYS 9 -9.192 -2.318 -3.747 79 HD2 LYS 9 2HD LYS 9 -10.023 -0.031 -3.432 80 HD3 LYS 9 1HD LYS 9 -9.065 0.498 -4.819 81 HE2 LYS 9 2HE LYS 9 -11.392 0.122 -5.459 82 HE3 LYS 9 1HE LYS 9 -10.323 -1.020 -6.264 83 HZ1 LYS 9 1HZ LYS 9 -10.957 -2.712 -4.659 84 HZ2 LYS 9 2HZ LYS 9 -12.322 -2.082 -5.419 85 HZ3 LYS 9 3HZ LYS 9 -11.958 -1.614 -3.853 86 H ARG 10 H ARG 10 -4.613 -1.359 -4.130 87 HA ARG 10 HA ARG 10 -4.950 -2.687 -6.598 88 HB2 ARG 10 2HB ARG 10 -2.504 -1.375 -5.457 89 HB3 ARG 10 1HB ARG 10 -2.654 -1.913 -7.118 90 HG2 ARG 10 2HG ARG 10 -4.517 -0.299 -7.390 91 HG3 ARG 10 1HG ARG 10 -4.189 0.282 -5.753 92 HD2 ARG 10 2HD ARG 10 -1.811 0.676 -6.499 93 HD3 ARG 10 1HD ARG 10 -2.359 0.355 -8.138 94 HE ARG 10 HE ARG 10 -4.019 2.284 -7.038 95 HH11 ARG 10 1HH1 ARG 10 -0.677 1.953 -8.220 96 HH12 ARG 10 2HH1 ARG 10 -0.452 3.611 -8.454 97 HH21 ARG 10 1HH2 ARG 10 -3.628 4.623 -7.277 98 HH22 ARG 10 2HH2 ARG 10 -2.143 5.153 -7.914 99 H TYR 11 H TYR 11 -3.042 -3.456 -3.720 100 HA TYR 11 HA TYR 11 -2.342 -5.971 -5.047 101 HB2 TYR 11 2HB TYR 11 -0.498 -4.529 -3.142 102 HB3 TYR 11 1HB TYR 11 -0.178 -5.938 -4.150 103 HD1 TYR 11 1HD TYR 11 0.236 -5.684 -6.555 104 HD2 TYR 11 2HD TYR 11 -0.383 -2.315 -4.044 105 HE1 TYR 11 1HE TYR 11 1.163 -4.217 -8.288 106 HE2 TYR 11 2HE TYR 11 0.542 -0.842 -5.774 107 HH TYR 11 HH TYR 11 2.104 -1.067 -7.717 108 HA PRO 12 HA PRO 12 -4.432 -6.866 -1.015 109 HB2 PRO 12 2HB PRO 12 -5.505 -9.163 -2.499 110 HB3 PRO 12 1HB PRO 12 -6.375 -7.906 -1.620 111 HG2 PRO 12 2HG PRO 12 -6.431 -8.036 -4.304 112 HG3 PRO 12 1HG PRO 12 -6.437 -6.486 -3.445 113 HD2 PRO 12 2HD PRO 12 -4.165 -7.899 -4.780 114 HD3 PRO 12 1HD PRO 12 -4.603 -6.176 -4.831 115 H ASN 13 H ASN 13 -2.685 -8.860 -3.289 116 HA ASN 13 HA ASN 13 -2.100 -10.836 -1.213 117 HB2 ASN 13 2HB ASN 13 -1.727 -10.937 -4.211 118 HB3 ASN 13 1HB ASN 13 -1.090 -12.163 -3.130 119 HD21 ASN 13 1HD2 ASN 13 -3.069 -12.379 -5.255 120 HD22 ASN 13 2HD2 ASN 13 -4.480 -13.022 -4.520 121 H CYS 14 H CYS 14 -0.862 -8.051 -1.859 122 HA CYS 14 HA CYS 14 1.908 -8.995 -1.587 123 HB2 CYS 14 2HB CYS 14 0.977 -6.336 -2.675 124 HB3 CYS 14 1HB CYS 14 2.633 -6.867 -2.515 125 H GLU 15 H GLU 15 3.221 -7.237 -0.375 126 HA GLU 15 HA GLU 15 1.537 -6.200 1.760 127 HB2 GLU 15 2HB GLU 15 2.958 -7.975 2.612 128 HB3 GLU 15 1HB GLU 15 4.377 -7.194 1.927 129 HG2 GLU 15 2HG GLU 15 4.283 -6.809 4.306 130 HG3 GLU 15 1HG GLU 15 4.065 -5.296 3.436 131 H VAL 16 H VAL 16 1.315 -4.110 1.457 132 HA VAL 16 HA VAL 16 3.582 -2.655 0.448 133 HB VAL 16 HB VAL 16 1.496 -2.179 -0.736 134 HG11 VAL 16 1HG1 VAL 16 -0.133 -2.657 0.943 135 HG12 VAL 16 2HG1 VAL 16 -0.387 -1.038 0.300 136 HG13 VAL 16 3HG1 VAL 16 0.369 -1.251 1.886 137 HG21 VAL 16 1HG2 VAL 16 1.458 0.269 -0.563 138 HG22 VAL 16 2HG2 VAL 16 3.101 -0.373 -0.587 139 HG23 VAL 16 3HG2 VAL 16 2.387 0.168 0.933 140 H ARG 17 H ARG 17 4.879 -1.746 1.630 141 HA ARG 17 HA ARG 17 4.381 -1.322 4.473 142 HB2 ARG 17 2HB ARG 17 6.899 -1.118 2.805 143 HB3 ARG 17 1HB ARG 17 6.820 -0.994 4.557 144 HG2 ARG 17 2HG ARG 17 6.175 -3.276 4.769 145 HG3 ARG 17 1HG ARG 17 5.960 -3.431 3.025 146 HD2 ARG 17 2HD ARG 17 8.336 -3.107 2.682 147 HD3 ARG 17 1HD ARG 17 8.575 -2.857 4.411 148 HE ARG 17 HE ARG 17 7.460 -5.224 4.439 149 HH11 ARG 17 1HH1 ARG 17 9.948 -4.110 2.148 150 HH12 ARG 17 2HH1 ARG 17 10.762 -5.597 2.127 151 HH21 ARG 17 1HH2 ARG 17 8.562 -7.263 4.302 152 HH22 ARG 17 2HH2 ARG 17 9.963 -7.445 3.358 153 H CYS 18 H CYS 18 3.547 0.583 4.938 154 HA CYS 18 HA CYS 18 4.180 2.860 3.206 155 HB2 CYS 18 2HB CYS 18 1.844 2.513 5.074 156 HB3 CYS 18 1HB CYS 18 2.081 3.799 3.898 157 H ASP 19 H ASP 19 5.286 4.442 4.054 158 HA ASP 19 HA ASP 19 5.007 5.067 6.867 159 HB2 ASP 19 2HB ASP 19 7.072 3.764 6.851 160 HB3 ASP 19 1HB ASP 19 7.713 4.714 5.521 161 HA DPR 20 HA DPR 20 4.692 9.295 5.661 162 HB2 DPR 20 1HB DPR 20 2.163 9.310 4.675 163 HB3 DPR 20 2HB DPR 20 2.515 9.184 6.408 164 HG2 DPR 20 1HG DPR 20 2.022 6.976 4.426 165 HG3 DPR 20 2HG DPR 20 1.184 7.264 5.955 166 HD2 DPR 20 1HD DPR 20 3.120 5.514 5.886 167 HD3 DPR 20 2HD DPR 20 3.097 6.713 7.207 168 HA PRO 21 HA PRO 21 4.761 9.751 1.152 169 HB2 PRO 21 2HB PRO 21 7.304 10.597 0.917 170 HB3 PRO 21 1HB PRO 21 6.029 11.639 1.562 171 HG2 PRO 21 2HG PRO 21 8.063 10.014 3.054 172 HG3 PRO 21 1HG PRO 21 7.592 11.704 3.310 173 HD2 PRO 21 2HD PRO 21 6.614 9.710 4.821 174 HD3 PRO 21 1HD PRO 21 5.637 11.130 4.386 175 H ARG 22 H ARG 22 5.972 7.295 2.914 176 HA ARG 22 HA ARG 22 7.663 6.258 0.727 177 HB2 ARG 22 2HB ARG 22 7.642 5.563 3.654 178 HB3 ARG 22 1HB ARG 22 8.663 4.778 2.460 179 HG2 ARG 22 2HG ARG 22 9.847 6.844 2.059 180 HG3 ARG 22 1HG ARG 22 8.739 7.719 3.117 181 HD2 ARG 22 2HD ARG 22 10.800 7.256 4.291 182 HD3 ARG 22 1HD ARG 22 9.474 6.349 5.001 183 HE ARG 22 HE ARG 22 11.239 5.075 3.053 184 HH11 ARG 22 1HH1 ARG 22 9.935 5.232 6.368 185 HH12 ARG 22 2HH1 ARG 22 10.681 3.779 6.860 186 HH21 ARG 22 1HH2 ARG 22 12.256 3.075 3.782 187 HH22 ARG 22 2HH2 ARG 22 12.000 2.510 5.361 188 H TYR 23 H TYR 23 6.830 4.644 -0.387 189 HA TYR 23 HA TYR 23 4.931 2.820 0.889 190 HB2 TYR 23 2HB TYR 23 4.527 3.951 -1.895 191 HB3 TYR 23 1HB TYR 23 3.453 2.862 -1.035 192 HD1 TYR 23 1HD TYR 23 4.220 6.212 -1.812 193 HD2 TYR 23 2HD TYR 23 2.325 3.811 1.121 194 HE1 TYR 23 1HE TYR 23 3.041 8.176 -1.007 195 HE2 TYR 23 2HE TYR 23 1.113 5.782 1.949 196 HH TYR 23 HH TYR 23 1.619 8.332 1.919 197 H GLU 24 H GLU 24 5.949 0.963 0.761 198 HA GLU 24 HA GLU 24 7.357 0.290 -1.726 199 HB2 GLU 24 2HB GLU 24 8.886 0.524 0.187 200 HB3 GLU 24 1HB GLU 24 7.940 -0.646 1.088 201 HG2 GLU 24 2HG GLU 24 8.532 -2.370 -0.547 202 HG3 GLU 24 1HG GLU 24 9.509 -1.193 -1.422 203 H VAL 25 H VAL 25 6.050 -1.080 -2.817 204 HA VAL 25 HA VAL 25 4.493 -2.927 -1.223 205 HB VAL 25 HB VAL 25 3.093 -1.679 -2.750 206 HG11 VAL 25 1HG1 VAL 25 3.276 -1.866 -5.185 207 HG12 VAL 25 2HG1 VAL 25 4.774 -2.781 -4.982 208 HG13 VAL 25 3HG1 VAL 25 4.696 -1.105 -4.464 209 HG21 VAL 25 1HG2 VAL 25 3.406 -4.540 -3.629 210 HG22 VAL 25 2HG2 VAL 25 1.993 -3.528 -3.929 211 HG23 VAL 25 3HG2 VAL 25 2.438 -3.956 -2.277 212 H HIS 26 H HIS 26 5.229 -4.734 -0.832 213 HA HIS 26 HA HIS 26 7.275 -5.941 -2.511 214 HB2 HIS 26 2HB HIS 26 7.653 -5.496 -0.069 215 HB3 HIS 26 1HB HIS 26 6.345 -6.610 0.290 216 HD1 HIS 26 1HD HIS 26 7.179 -8.879 0.906 217 HD2 HIS 26 2HD HIS 26 9.735 -6.876 -1.685 218 HE1 HIS 26 1HE HIS 26 9.187 -10.370 0.627 219 H CYS 27 H CYS 27 6.602 -7.479 -3.871 220 HA CYS 27 HA CYS 27 4.195 -9.002 -3.212 221 HB2 CYS 27 2HB CYS 27 5.253 -8.186 -5.926 222 HB3 CYS 27 1HB CYS 27 3.940 -9.331 -5.683 Start of MODEL 11 1 H1 ASN 1 1HT ASN 1 -5.028 12.619 1.587 2 H2 ASN 1 2HT ASN 1 -5.372 13.687 0.339 3 H3 ASN 1 3HT ASN 1 -3.767 13.189 0.649 4 HA ASN 1 HA ASN 1 -5.916 11.383 -0.212 5 HB2 ASN 1 2HB ASN 1 -5.225 12.906 -2.044 6 HB3 ASN 1 1HB ASN 1 -3.543 12.482 -1.756 7 HD21 ASN 1 1HD2 ASN 1 -2.740 10.505 -2.553 8 HD22 ASN 1 2HD2 ASN 1 -3.668 9.514 -3.604 9 H ASP 2 H ASP 2 -5.347 9.245 -0.114 10 HA ASP 2 HA ASP 2 -2.565 8.561 0.565 11 HB2 ASP 2 2HB ASP 2 -3.118 7.256 2.387 12 HB3 ASP 2 1HB ASP 2 -4.217 8.605 2.611 13 H LYS 3 H LYS 3 -1.743 7.162 -0.554 14 HA LYS 3 HA LYS 3 -3.416 5.648 -2.381 15 HB2 LYS 3 2HB LYS 3 -0.426 5.896 -2.080 16 HB3 LYS 3 1HB LYS 3 -1.191 4.807 -3.222 17 HG2 LYS 3 2HG LYS 3 -2.139 6.632 -4.422 18 HG3 LYS 3 1HG LYS 3 -1.587 7.784 -3.202 19 HD2 LYS 3 2HD LYS 3 0.720 7.285 -3.728 20 HD3 LYS 3 1HD LYS 3 0.220 6.031 -4.860 21 HE2 LYS 3 2HE LYS 3 -0.515 8.934 -5.131 22 HE3 LYS 3 1HE LYS 3 0.880 8.201 -5.918 23 HZ1 LYS 3 1HZ LYS 3 -0.609 6.711 -7.090 24 HZ2 LYS 3 2HZ LYS 3 -1.028 8.301 -7.389 25 HZ3 LYS 3 3HZ LYS 3 -1.956 7.385 -6.330 26 H CYS 4 H CYS 4 -2.578 5.374 0.705 27 HA CYS 4 HA CYS 4 -1.467 2.789 0.893 28 HB2 CYS 4 2HB CYS 4 -1.397 4.537 2.703 29 HB3 CYS 4 1HB CYS 4 -3.114 4.256 2.968 30 H LYS 5 H LYS 5 -4.761 4.057 1.241 31 HA LYS 5 HA LYS 5 -5.947 1.490 1.617 32 HB2 LYS 5 2HB LYS 5 -7.222 4.023 0.595 33 HB3 LYS 5 1HB LYS 5 -8.111 2.573 1.018 34 HG2 LYS 5 2HG LYS 5 -7.356 2.781 3.330 35 HG3 LYS 5 1HG LYS 5 -6.433 4.214 2.869 36 HD2 LYS 5 2HD LYS 5 -8.460 5.367 2.244 37 HD3 LYS 5 1HD LYS 5 -9.416 3.932 2.614 38 HE2 LYS 5 2HE LYS 5 -8.781 4.084 4.951 39 HE3 LYS 5 1HE LYS 5 -7.740 5.460 4.594 40 HZ1 LYS 5 1HZ LYS 5 -9.662 6.713 3.925 41 HZ2 LYS 5 2HZ LYS 5 -9.866 6.166 5.502 42 HZ3 LYS 5 3HZ LYS 5 -10.685 5.412 4.228 43 H GLU 6 H GLU 6 -5.229 3.385 -1.159 44 HA GLU 6 HA GLU 6 -6.685 2.001 -3.112 45 HB2 GLU 6 2HB GLU 6 -5.818 4.285 -3.328 46 HB3 GLU 6 1HB GLU 6 -4.178 3.670 -3.275 47 HG2 GLU 6 2HG GLU 6 -4.803 4.232 -5.515 48 HG3 GLU 6 1HG GLU 6 -4.558 2.491 -5.356 49 H LEU 7 H LEU 7 -3.213 1.936 -2.291 50 HA LEU 7 HA LEU 7 -2.561 -0.108 -4.105 51 HB2 LEU 7 2HB LEU 7 -1.086 0.828 -1.665 52 HB3 LEU 7 1HB LEU 7 -0.425 -0.252 -2.875 53 HG LEU 7 HG LEU 7 -1.251 2.616 -3.336 54 HD11 LEU 7 1HD1 LEU 7 1.144 3.031 -3.522 55 HD12 LEU 7 2HD1 LEU 7 1.469 1.346 -3.110 56 HD13 LEU 7 3HD1 LEU 7 0.713 2.416 -1.928 57 HD21 LEU 7 1HD2 LEU 7 -0.157 2.374 -5.483 58 HD22 LEU 7 2HD2 LEU 7 -1.481 1.212 -5.353 59 HD23 LEU 7 3HD2 LEU 7 0.198 0.691 -5.135 60 H LYS 8 H LYS 8 -3.419 -0.271 -0.641 61 HA LYS 8 HA LYS 8 -2.712 -3.022 -0.513 62 HB2 LYS 8 2HB LYS 8 -2.897 -1.563 1.503 63 HB3 LYS 8 1HB LYS 8 -4.642 -1.557 1.291 64 HG2 LYS 8 2HG LYS 8 -4.742 -3.944 1.653 65 HG3 LYS 8 1HG LYS 8 -2.987 -4.031 1.736 66 HD2 LYS 8 2HD LYS 8 -3.945 -4.116 3.955 67 HD3 LYS 8 1HD LYS 8 -3.026 -2.627 3.747 68 HE2 LYS 8 2HE LYS 8 -5.045 -1.374 3.405 69 HE3 LYS 8 1HE LYS 8 -6.010 -2.850 3.430 70 HZ1 LYS 8 1HZ LYS 8 -5.355 -3.168 5.729 71 HZ2 LYS 8 2HZ LYS 8 -6.121 -1.680 5.533 72 HZ3 LYS 8 3HZ LYS 8 -4.454 -1.748 5.710 73 H LYS 9 H LYS 9 -5.558 -1.386 -1.559 74 HA LYS 9 HA LYS 9 -7.255 -3.686 -1.652 75 HB2 LYS 9 2HB LYS 9 -8.262 -1.501 -1.684 76 HB3 LYS 9 1HB LYS 9 -7.319 -1.020 -3.079 77 HG2 LYS 9 2HG LYS 9 -9.585 -1.412 -3.758 78 HG3 LYS 9 1HG LYS 9 -8.552 -2.646 -4.458 79 HD2 LYS 9 2HD LYS 9 -10.453 -3.826 -3.757 80 HD3 LYS 9 1HD LYS 9 -9.286 -4.111 -2.478 81 HE2 LYS 9 2HE LYS 9 -11.443 -1.998 -2.363 82 HE3 LYS 9 1HE LYS 9 -11.638 -3.617 -1.716 83 HZ1 LYS 9 1HZ LYS 9 -11.063 -2.055 0.004 84 HZ2 LYS 9 2HZ LYS 9 -9.693 -1.563 -0.768 85 HZ3 LYS 9 3HZ LYS 9 -9.804 -3.145 -0.166 86 H ARG 10 H ARG 10 -5.122 -2.043 -3.855 87 HA ARG 10 HA ARG 10 -5.635 -3.622 -6.139 88 HB2 ARG 10 2HB ARG 10 -3.293 -1.895 -5.420 89 HB3 ARG 10 1HB ARG 10 -3.489 -2.627 -6.993 90 HG2 ARG 10 2HG ARG 10 -5.607 -1.381 -7.259 91 HG3 ARG 10 1HG ARG 10 -5.298 -0.608 -5.698 92 HD2 ARG 10 2HD ARG 10 -3.177 0.254 -6.570 93 HD3 ARG 10 1HD ARG 10 -3.539 -0.486 -8.126 94 HE ARG 10 HE ARG 10 -5.565 1.291 -7.171 95 HH11 ARG 10 1HH1 ARG 10 -2.531 1.061 -9.000 96 HH12 ARG 10 2HH1 ARG 10 -2.784 2.508 -9.866 97 HH21 ARG 10 1HH2 ARG 10 -5.901 3.289 -8.386 98 HH22 ARG 10 2HH2 ARG 10 -4.735 3.786 -9.521 99 H TYR 11 H TYR 11 -3.104 -3.813 -3.648 100 HA TYR 11 HA TYR 11 -2.218 -6.345 -4.873 101 HB2 TYR 11 2HB TYR 11 -0.614 -4.517 -3.095 102 HB3 TYR 11 1HB TYR 11 -0.020 -5.966 -3.863 103 HD1 TYR 11 1HD TYR 11 -0.860 -2.457 -4.247 104 HD2 TYR 11 2HD TYR 11 0.543 -5.912 -6.287 105 HE1 TYR 11 1HE TYR 11 -0.031 -1.036 -6.052 106 HE2 TYR 11 2HE TYR 11 1.383 -4.497 -8.111 107 HH TYR 11 HH TYR 11 1.726 -1.149 -7.796 108 HA PRO 12 HA PRO 12 -3.428 -7.644 -0.626 109 HB2 PRO 12 2HB PRO 12 -5.017 -9.757 -1.777 110 HB3 PRO 12 1HB PRO 12 -5.584 -8.368 -0.848 111 HG2 PRO 12 2HG PRO 12 -6.123 -8.738 -3.505 112 HG3 PRO 12 1HG PRO 12 -6.067 -7.149 -2.720 113 HD2 PRO 12 2HD PRO 12 -3.966 -8.534 -4.347 114 HD3 PRO 12 1HD PRO 12 -4.483 -6.830 -4.397 115 H ASN 13 H ASN 13 -2.077 -8.865 -3.422 116 HA ASN 13 HA ASN 13 -1.252 -11.469 -2.370 117 HB2 ASN 13 2HB ASN 13 -0.667 -10.158 -5.039 118 HB3 ASN 13 1HB ASN 13 -0.166 -11.770 -4.573 119 HD21 ASN 13 1HD2 ASN 13 -1.226 -12.709 -6.238 120 HD22 ASN 13 2HD2 ASN 13 -2.945 -12.850 -6.319 121 H CYS 14 H CYS 14 -0.273 -8.476 -1.849 122 HA CYS 14 HA CYS 14 2.524 -9.246 -1.568 123 HB2 CYS 14 2HB CYS 14 1.603 -6.641 -2.802 124 HB3 CYS 14 1HB CYS 14 3.256 -7.088 -2.440 125 H GLU 15 H GLU 15 3.606 -7.491 -0.219 126 HA GLU 15 HA GLU 15 1.780 -6.706 1.925 127 HB2 GLU 15 2HB GLU 15 4.794 -6.825 1.804 128 HB3 GLU 15 1HB GLU 15 3.888 -6.245 3.190 129 HG2 GLU 15 2HG GLU 15 2.934 -8.427 3.508 130 HG3 GLU 15 1HG GLU 15 3.725 -9.019 2.045 131 H VAL 16 H VAL 16 0.882 -4.780 1.318 132 HA VAL 16 HA VAL 16 2.521 -2.736 0.125 133 HB VAL 16 HB VAL 16 -0.357 -2.631 1.100 134 HG11 VAL 16 1HG1 VAL 16 -0.522 -0.514 -0.117 135 HG12 VAL 16 2HG1 VAL 16 1.191 -0.604 -0.530 136 HG13 VAL 16 3HG1 VAL 16 0.698 -0.405 1.153 137 HG21 VAL 16 1HG2 VAL 16 -0.048 -4.103 -0.815 138 HG22 VAL 16 2HG2 VAL 16 0.814 -2.823 -1.666 139 HG23 VAL 16 3HG2 VAL 16 -0.895 -2.633 -1.306 140 H ARG 17 H ARG 17 3.952 -1.787 1.379 141 HA ARG 17 HA ARG 17 3.194 -1.317 4.133 142 HB2 ARG 17 2HB ARG 17 5.927 -1.407 2.862 143 HB3 ARG 17 1HB ARG 17 5.623 -1.012 4.550 144 HG2 ARG 17 2HG ARG 17 4.590 -3.219 4.863 145 HG3 ARG 17 1HG ARG 17 4.961 -3.611 3.186 146 HD2 ARG 17 2HD ARG 17 7.351 -3.319 3.675 147 HD3 ARG 17 1HD ARG 17 6.948 -2.992 5.364 148 HE ARG 17 HE ARG 17 5.760 -5.391 4.680 149 HH11 ARG 17 1HH1 ARG 17 9.029 -4.126 5.125 150 HH12 ARG 17 2HH1 ARG 17 9.725 -5.641 5.444 151 HH21 ARG 17 1HH2 ARG 17 6.707 -7.495 5.102 152 HH22 ARG 17 2HH2 ARG 17 8.377 -7.593 5.468 153 H CYS 18 H CYS 18 2.170 0.466 4.199 154 HA CYS 18 HA CYS 18 2.917 2.808 2.773 155 HB2 CYS 18 2HB CYS 18 1.092 2.475 5.176 156 HB3 CYS 18 1HB CYS 18 1.065 3.784 3.996 157 H ASP 19 H ASP 19 4.701 3.918 3.386 158 HA ASP 19 HA ASP 19 5.451 3.798 6.213 159 HB2 ASP 19 2HB ASP 19 6.933 2.372 4.814 160 HB3 ASP 19 1HB ASP 19 7.356 3.780 3.854 161 HA DPR 20 HA DPR 20 5.872 8.205 6.305 162 HB2 DPR 20 1HB DPR 20 2.871 8.066 6.428 163 HB3 DPR 20 2HB DPR 20 3.980 9.028 7.419 164 HG2 DPR 20 1HG DPR 20 3.057 6.849 8.512 165 HG3 DPR 20 2HG DPR 20 4.839 7.111 8.434 166 HD2 DPR 20 1HD DPR 20 3.201 5.415 6.596 167 HD3 DPR 20 2HD DPR 20 4.615 4.973 7.578 168 HA PRO 21 HA PRO 21 4.158 9.938 2.470 169 HB2 PRO 21 2HB PRO 21 6.854 10.765 1.833 170 HB3 PRO 21 1HB PRO 21 5.473 11.769 2.281 171 HG2 PRO 21 2HG PRO 21 7.670 11.441 3.872 172 HG3 PRO 21 1HG PRO 21 6.052 11.802 4.494 173 HD2 PRO 21 2HD PRO 21 7.488 9.182 4.359 174 HD3 PRO 21 1HD PRO 21 6.476 9.883 5.651 175 H ARG 22 H ARG 22 5.992 7.276 2.947 176 HA ARG 22 HA ARG 22 6.682 6.897 0.101 177 HB2 ARG 22 2HB ARG 22 7.511 5.285 2.499 178 HB3 ARG 22 1HB ARG 22 8.089 5.074 0.859 179 HG2 ARG 22 2HG ARG 22 9.274 7.146 0.953 180 HG3 ARG 22 1HG ARG 22 8.538 7.544 2.513 181 HD2 ARG 22 2HD ARG 22 9.574 5.555 3.491 182 HD3 ARG 22 1HD ARG 22 10.347 5.207 1.947 183 HE ARG 22 HE ARG 22 11.334 7.534 2.292 184 HH11 ARG 22 1HH1 ARG 22 10.592 5.289 4.944 185 HH12 ARG 22 2HH1 ARG 22 11.939 5.713 5.880 186 HH21 ARG 22 1HH2 ARG 22 13.238 8.149 3.638 187 HH22 ARG 22 2HH2 ARG 22 13.469 7.334 5.106 188 H TYR 23 H TYR 23 5.899 5.107 -0.966 189 HA TYR 23 HA TYR 23 4.064 3.343 0.484 190 HB2 TYR 23 2HB TYR 23 3.735 4.405 -2.335 191 HB3 TYR 23 1HB TYR 23 2.713 3.200 -1.578 192 HD1 TYR 23 1HD TYR 23 3.230 6.660 -2.183 193 HD2 TYR 23 2HD TYR 23 1.378 3.941 0.494 194 HE1 TYR 23 1HE TYR 23 1.738 8.447 -1.428 195 HE2 TYR 23 2HE TYR 23 -0.122 5.713 1.271 196 HH TYR 23 HH TYR 23 -0.108 8.248 1.334 197 H GLU 24 H GLU 24 5.174 1.440 0.521 198 HA GLU 24 HA GLU 24 6.498 0.708 -1.981 199 HB2 GLU 24 2HB GLU 24 7.436 0.106 0.819 200 HB3 GLU 24 1HB GLU 24 8.158 -0.537 -0.647 201 HG2 GLU 24 2HG GLU 24 8.620 1.805 -1.355 202 HG3 GLU 24 1HG GLU 24 8.066 2.332 0.233 203 H VAL 25 H VAL 25 5.448 -0.881 -2.898 204 HA VAL 25 HA VAL 25 4.157 -2.776 -1.149 205 HB VAL 25 HB VAL 25 2.719 -1.978 -2.977 206 HG11 VAL 25 1HG1 VAL 25 4.338 -1.457 -4.678 207 HG12 VAL 25 2HG1 VAL 25 3.160 -2.609 -5.317 208 HG13 VAL 25 3HG1 VAL 25 4.762 -3.162 -4.819 209 HG21 VAL 25 1HG2 VAL 25 1.989 -4.121 -3.869 210 HG22 VAL 25 2HG2 VAL 25 2.376 -4.232 -2.149 211 HG23 VAL 25 3HG2 VAL 25 3.505 -4.851 -3.351 212 H HIS 26 H HIS 26 5.034 -4.514 -0.591 213 HA HIS 26 HA HIS 26 7.501 -5.377 -1.872 214 HB2 HIS 26 2HB HIS 26 6.226 -6.025 0.781 215 HB3 HIS 26 1HB HIS 26 7.688 -6.811 0.206 216 HD1 HIS 26 1HD HIS 26 9.409 -5.901 1.844 217 HD2 HIS 26 2HD HIS 26 6.977 -2.913 0.276 218 HE1 HIS 26 1HE HIS 26 10.329 -3.737 2.706 219 H CYS 27 H CYS 27 7.040 -6.712 -3.518 220 HA CYS 27 HA CYS 27 5.222 -8.953 -2.994 221 HB2 CYS 27 2HB CYS 27 6.247 -7.910 -5.661 222 HB3 CYS 27 1HB CYS 27 5.118 -9.230 -5.443 Start of MODEL 12 1 H1 ASN 1 1HT ASN 1 -1.838 10.005 4.205 2 H2 ASN 1 2HT ASN 1 -0.245 10.439 3.859 3 H3 ASN 1 3HT ASN 1 -0.770 8.823 3.655 4 HA ASN 1 HA ASN 1 -1.810 11.159 2.237 5 HB2 ASN 1 2HB ASN 1 0.112 9.034 1.226 6 HB3 ASN 1 1HB ASN 1 -0.673 10.227 0.197 7 HD21 ASN 1 1HD2 ASN 1 1.323 11.148 -0.450 8 HD22 ASN 1 2HD2 ASN 1 2.221 12.097 0.674 9 H ASP 2 H ASP 2 -2.582 9.903 -0.106 10 HA ASP 2 HA ASP 2 -4.930 8.531 0.932 11 HB2 ASP 2 2HB ASP 2 -5.905 9.090 -1.165 12 HB3 ASP 2 1HB ASP 2 -5.255 10.544 -0.387 13 H LYS 3 H LYS 3 -2.176 7.737 -0.581 14 HA LYS 3 HA LYS 3 -3.356 6.020 -2.586 15 HB2 LYS 3 2HB LYS 3 -0.456 6.467 -1.955 16 HB3 LYS 3 1HB LYS 3 -1.075 5.589 -3.352 17 HG2 LYS 3 2HG LYS 3 -2.118 7.531 -4.225 18 HG3 LYS 3 1HG LYS 3 -1.806 8.431 -2.745 19 HD2 LYS 3 2HD LYS 3 0.612 8.243 -3.198 20 HD3 LYS 3 1HD LYS 3 0.232 7.444 -4.725 21 HE2 LYS 3 2HE LYS 3 0.671 9.837 -5.016 22 HE3 LYS 3 1HE LYS 3 -0.969 9.395 -5.501 23 HZ1 LYS 3 1HZ LYS 3 -1.740 10.276 -3.291 24 HZ2 LYS 3 2HZ LYS 3 -1.022 11.433 -4.247 25 HZ3 LYS 3 3HZ LYS 3 -0.151 10.769 -2.983 26 H CYS 4 H CYS 4 -2.460 5.544 0.610 27 HA CYS 4 HA CYS 4 -1.653 2.840 0.443 28 HB2 CYS 4 2HB CYS 4 -1.436 4.325 2.552 29 HB3 CYS 4 1HB CYS 4 -3.139 4.028 2.774 30 H LYS 5 H LYS 5 -4.815 4.423 0.495 31 HA LYS 5 HA LYS 5 -6.274 2.072 1.099 32 HB2 LYS 5 2HB LYS 5 -7.157 4.592 -0.317 33 HB3 LYS 5 1HB LYS 5 -8.241 3.289 0.147 34 HG2 LYS 5 2HG LYS 5 -7.607 3.640 2.501 35 HG3 LYS 5 1HG LYS 5 -6.590 4.986 1.981 36 HD2 LYS 5 2HD LYS 5 -8.530 6.161 1.130 37 HD3 LYS 5 1HD LYS 5 -9.563 4.798 1.552 38 HE2 LYS 5 2HE LYS 5 -9.736 6.550 3.239 39 HE3 LYS 5 1HE LYS 5 -9.012 5.092 3.908 40 HZ1 LYS 5 1HZ LYS 5 -7.531 7.541 3.075 41 HZ2 LYS 5 2HZ LYS 5 -6.810 6.158 3.673 42 HZ3 LYS 5 3HZ LYS 5 -7.822 7.058 4.652 43 H GLU 6 H GLU 6 -5.320 3.601 -1.871 44 HA GLU 6 HA GLU 6 -6.635 1.801 -3.603 45 HB2 GLU 6 2HB GLU 6 -4.230 3.543 -4.049 46 HB3 GLU 6 1HB GLU 6 -5.055 2.646 -5.308 47 HG2 GLU 6 2HG GLU 6 -7.090 3.942 -4.846 48 HG3 GLU 6 1HG GLU 6 -6.181 4.884 -3.656 49 H LEU 7 H LEU 7 -3.213 2.104 -2.687 50 HA LEU 7 HA LEU 7 -2.391 -0.088 -4.220 51 HB2 LEU 7 2HB LEU 7 -1.012 1.203 -1.892 52 HB3 LEU 7 1HB LEU 7 -0.268 0.071 -3.001 53 HG LEU 7 HG LEU 7 -1.285 2.834 -3.684 54 HD11 LEU 7 1HD1 LEU 7 1.074 3.327 -4.039 55 HD12 LEU 7 2HD1 LEU 7 1.476 1.694 -3.495 56 HD13 LEU 7 3HD1 LEU 7 0.745 2.843 -2.371 57 HD21 LEU 7 1HD2 LEU 7 -0.267 2.480 -5.857 58 HD22 LEU 7 2HD2 LEU 7 -1.544 1.290 -5.583 59 HD23 LEU 7 3HD2 LEU 7 0.159 0.832 -5.408 60 H LYS 8 H LYS 8 -3.290 0.065 -0.783 61 HA LYS 8 HA LYS 8 -2.325 -2.570 -0.323 62 HB2 LYS 8 2HB LYS 8 -2.419 -0.926 1.467 63 HB3 LYS 8 1HB LYS 8 -4.161 -0.835 1.330 64 HG2 LYS 8 2HG LYS 8 -4.461 -2.979 2.252 65 HG3 LYS 8 1HG LYS 8 -2.759 -3.392 2.055 66 HD2 LYS 8 2HD LYS 8 -3.777 -1.207 3.873 67 HD3 LYS 8 1HD LYS 8 -3.424 -2.849 4.404 68 HE2 LYS 8 2HE LYS 8 -1.421 -0.930 3.165 69 HE3 LYS 8 1HE LYS 8 -1.563 -1.310 4.871 70 HZ1 LYS 8 1HZ LYS 8 -0.915 -3.560 4.456 71 HZ2 LYS 8 2HZ LYS 8 0.217 -2.569 3.713 72 HZ3 LYS 8 3HZ LYS 8 -0.940 -3.355 2.793 73 H LYS 9 H LYS 9 -5.291 -1.286 -1.468 74 HA LYS 9 HA LYS 9 -6.760 -3.756 -1.150 75 HB2 LYS 9 2HB LYS 9 -7.946 -1.618 -1.059 76 HB3 LYS 9 1HB LYS 9 -7.358 -1.197 -2.656 77 HG2 LYS 9 2HG LYS 9 -9.664 -1.854 -2.797 78 HG3 LYS 9 1HG LYS 9 -8.660 -3.068 -3.588 79 HD2 LYS 9 2HD LYS 9 -8.797 -4.469 -1.565 80 HD3 LYS 9 1HD LYS 9 -9.841 -3.254 -0.821 81 HE2 LYS 9 2HE LYS 9 -11.171 -5.063 -1.727 82 HE3 LYS 9 1HE LYS 9 -11.476 -3.575 -2.617 83 HZ1 LYS 9 1HZ LYS 9 -9.676 -5.761 -3.501 84 HZ2 LYS 9 2HZ LYS 9 -10.024 -4.385 -4.399 85 HZ3 LYS 9 3HZ LYS 9 -11.228 -5.515 -4.068 86 H ARG 10 H ARG 10 -4.947 -2.042 -3.552 87 HA ARG 10 HA ARG 10 -5.678 -3.557 -5.841 88 HB2 ARG 10 2HB ARG 10 -4.725 -1.185 -5.741 89 HB3 ARG 10 1HB ARG 10 -3.195 -1.953 -5.427 90 HG2 ARG 10 2HG ARG 10 -3.132 -2.964 -7.547 91 HG3 ARG 10 1HG ARG 10 -4.819 -2.537 -7.867 92 HD2 ARG 10 2HD ARG 10 -2.567 -0.608 -7.447 93 HD3 ARG 10 1HD ARG 10 -3.294 -1.029 -9.009 94 HE ARG 10 HE ARG 10 -5.420 -0.224 -7.638 95 HH11 ARG 10 1HH1 ARG 10 -2.294 1.370 -8.053 96 HH12 ARG 10 2HH1 ARG 10 -2.896 2.945 -7.872 97 HH21 ARG 10 1HH2 ARG 10 -6.267 1.872 -7.395 98 HH22 ARG 10 2HH2 ARG 10 -5.302 3.271 -7.435 99 H TYR 11 H TYR 11 -3.172 -3.805 -3.414 100 HA TYR 11 HA TYR 11 -2.243 -6.280 -4.703 101 HB2 TYR 11 2HB TYR 11 -0.529 -4.393 -3.065 102 HB3 TYR 11 1HB TYR 11 0.009 -5.842 -3.896 103 HD1 TYR 11 1HD TYR 11 -1.013 -2.341 -4.282 104 HD2 TYR 11 2HD TYR 11 0.418 -5.797 -6.310 105 HE1 TYR 11 1HE TYR 11 -0.488 -0.972 -6.211 106 HE2 TYR 11 2HE TYR 11 0.965 -4.421 -8.261 107 HH TYR 11 HH TYR 11 0.272 -2.252 -9.240 108 HA PRO 12 HA PRO 12 -3.589 -7.333 -0.409 109 HB2 PRO 12 2HB PRO 12 -5.041 -9.559 -1.539 110 HB3 PRO 12 1HB PRO 12 -5.691 -8.152 -0.702 111 HG2 PRO 12 2HG PRO 12 -6.086 -8.639 -3.367 112 HG3 PRO 12 1HG PRO 12 -6.093 -7.017 -2.655 113 HD2 PRO 12 2HD PRO 12 -3.901 -8.432 -4.127 114 HD3 PRO 12 1HD PRO 12 -4.425 -6.735 -4.247 115 H ASN 13 H ASN 13 -2.133 -8.949 -3.016 116 HA ASN 13 HA ASN 13 -1.338 -11.271 -1.406 117 HB2 ASN 13 2HB ASN 13 -1.080 -10.758 -4.385 118 HB3 ASN 13 1HB ASN 13 -0.542 -12.219 -3.570 119 HD21 ASN 13 1HD2 ASN 13 -2.586 -11.787 -5.680 120 HD22 ASN 13 2HD2 ASN 13 -4.036 -12.456 -5.055 121 H CYS 14 H CYS 14 -0.257 -8.331 -1.620 122 HA CYS 14 HA CYS 14 2.554 -9.125 -1.540 123 HB2 CYS 14 2HB CYS 14 1.534 -6.614 -2.884 124 HB3 CYS 14 1HB CYS 14 3.206 -7.121 -2.747 125 H GLU 15 H GLU 15 3.819 -7.287 -0.455 126 HA GLU 15 HA GLU 15 2.205 -6.236 1.710 127 HB2 GLU 15 2HB GLU 15 5.171 -6.431 1.317 128 HB3 GLU 15 1HB GLU 15 4.459 -5.451 2.585 129 HG2 GLU 15 2HG GLU 15 3.343 -7.504 3.434 130 HG3 GLU 15 1HG GLU 15 4.265 -8.411 2.230 131 H VAL 16 H VAL 16 1.362 -4.351 1.438 132 HA VAL 16 HA VAL 16 2.891 -2.355 -0.041 133 HB VAL 16 HB VAL 16 -0.018 -2.261 0.858 134 HG11 VAL 16 1HG1 VAL 16 -0.168 -0.236 -0.516 135 HG12 VAL 16 2HG1 VAL 16 1.559 -0.342 -0.868 136 HG13 VAL 16 3HG1 VAL 16 1.010 -0.040 0.781 137 HG21 VAL 16 1HG2 VAL 16 -0.543 -2.447 -1.535 138 HG22 VAL 16 2HG2 VAL 16 0.329 -3.863 -0.945 139 HG23 VAL 16 3HG2 VAL 16 1.173 -2.634 -1.887 140 H ARG 17 H ARG 17 4.265 -1.599 1.312 141 HA ARG 17 HA ARG 17 3.558 -1.247 4.094 142 HB2 ARG 17 2HB ARG 17 6.195 -0.857 2.677 143 HB3 ARG 17 1HB ARG 17 5.951 -0.776 4.418 144 HG2 ARG 17 2HG ARG 17 5.245 -3.111 4.451 145 HG3 ARG 17 1HG ARG 17 5.437 -3.194 2.704 146 HD2 ARG 17 2HD ARG 17 7.800 -2.763 2.932 147 HD3 ARG 17 1HD ARG 17 7.638 -2.644 4.687 148 HE ARG 17 HE ARG 17 6.609 -5.079 4.172 149 HH11 ARG 17 1HH1 ARG 17 9.663 -3.576 3.263 150 HH12 ARG 17 2HH1 ARG 17 10.518 -5.023 3.090 151 HH21 ARG 17 1HH2 ARG 17 7.704 -7.056 3.988 152 HH22 ARG 17 2HH2 ARG 17 9.347 -7.123 3.524 153 H CYS 18 H CYS 18 2.443 0.431 4.451 154 HA CYS 18 HA CYS 18 2.819 2.898 2.958 155 HB2 CYS 18 2HB CYS 18 0.727 2.144 4.998 156 HB3 CYS 18 1HB CYS 18 0.726 3.582 3.990 157 H ASP 19 H ASP 19 4.351 4.149 3.806 158 HA ASP 19 HA ASP 19 4.129 4.752 6.665 159 HB2 ASP 19 2HB ASP 19 6.696 4.637 5.039 160 HB3 ASP 19 1HB ASP 19 6.587 5.418 6.605 161 HA DPR 20 HA DPR 20 3.745 9.030 5.520 162 HB2 DPR 20 1HB DPR 20 0.871 8.356 5.085 163 HB3 DPR 20 2HB DPR 20 1.602 9.609 6.106 164 HG2 DPR 20 1HG DPR 20 0.652 7.504 7.322 165 HG3 DPR 20 2HG DPR 20 2.330 8.064 7.657 166 HD2 DPR 20 1HD DPR 20 1.528 5.869 5.793 167 HD3 DPR 20 2HD DPR 20 2.587 5.798 7.226 168 HA PRO 21 HA PRO 21 2.949 9.237 1.102 169 HB2 PRO 21 2HB PRO 21 5.193 10.527 0.419 170 HB3 PRO 21 1HB PRO 21 3.892 11.355 1.282 171 HG2 PRO 21 2HG PRO 21 6.489 10.316 2.315 172 HG3 PRO 21 1HG PRO 21 5.608 11.783 2.767 173 HD2 PRO 21 2HD PRO 21 5.597 9.383 4.177 174 HD3 PRO 21 1HD PRO 21 4.398 10.683 4.344 175 H ARG 22 H ARG 22 5.015 7.308 2.797 176 HA ARG 22 HA ARG 22 6.553 6.409 0.474 177 HB2 ARG 22 2HB ARG 22 6.678 5.573 3.347 178 HB3 ARG 22 1HB ARG 22 7.717 4.966 2.065 179 HG2 ARG 22 2HG ARG 22 8.684 7.170 1.795 180 HG3 ARG 22 1HG ARG 22 7.596 7.814 3.033 181 HD2 ARG 22 2HD ARG 22 8.553 6.282 4.673 182 HD3 ARG 22 1HD ARG 22 9.631 5.634 3.442 183 HE ARG 22 HE ARG 22 9.979 8.393 3.601 184 HH11 ARG 22 1HH1 ARG 22 10.667 5.438 5.467 185 HH12 ARG 22 2HH1 ARG 22 11.976 6.106 6.312 186 HH21 ARG 22 1HH2 ARG 22 11.775 9.323 4.820 187 HH22 ARG 22 2HH2 ARG 22 12.633 8.369 5.924 188 H TYR 23 H TYR 23 5.975 4.718 -0.647 189 HA TYR 23 HA TYR 23 4.215 2.744 0.587 190 HB2 TYR 23 2HB TYR 23 3.843 3.975 -2.149 191 HB3 TYR 23 1HB TYR 23 2.932 2.605 -1.522 192 HD1 TYR 23 1HD TYR 23 1.857 3.061 0.820 193 HD2 TYR 23 2HD TYR 23 2.862 6.058 -1.991 194 HE1 TYR 23 1HE TYR 23 0.282 4.540 1.882 195 HE2 TYR 23 2HE TYR 23 1.254 7.597 -0.945 196 HH TYR 23 HH TYR 23 -0.079 6.920 2.100 197 H GLU 24 H GLU 24 5.455 1.030 0.621 198 HA GLU 24 HA GLU 24 7.009 0.413 -1.807 199 HB2 GLU 24 2HB GLU 24 7.322 -0.847 0.913 200 HB3 GLU 24 1HB GLU 24 8.361 -1.055 -0.481 201 HG2 GLU 24 2HG GLU 24 8.031 1.404 1.190 202 HG3 GLU 24 1HG GLU 24 9.420 0.319 1.104 203 H VAL 25 H VAL 25 5.958 -0.968 -3.036 204 HA VAL 25 HA VAL 25 4.414 -2.993 -1.641 205 HB VAL 25 HB VAL 25 2.945 -1.845 -3.197 206 HG11 VAL 25 1HG1 VAL 25 4.887 -2.561 -5.376 207 HG12 VAL 25 2HG1 VAL 25 4.521 -0.944 -4.760 208 HG13 VAL 25 3HG1 VAL 25 3.285 -1.861 -5.618 209 HG21 VAL 25 1HG2 VAL 25 2.556 -4.216 -2.926 210 HG22 VAL 25 2HG2 VAL 25 3.663 -4.571 -4.252 211 HG23 VAL 25 3HG2 VAL 25 2.152 -3.714 -4.567 212 H HIS 26 H HIS 26 5.434 -4.652 -1.244 213 HA HIS 26 HA HIS 26 7.460 -5.623 -3.139 214 HB2 HIS 26 2HB HIS 26 8.278 -4.782 -0.902 215 HB3 HIS 26 1HB HIS 26 7.353 -6.068 -0.144 216 HD1 HIS 26 1HD HIS 26 10.572 -5.376 -1.859 217 HD2 HIS 26 2HD HIS 26 8.371 -8.669 -0.616 218 HE1 HIS 26 1HE HIS 26 12.167 -7.312 -1.874 219 H CYS 27 H CYS 27 6.721 -7.339 -4.182 220 HA CYS 27 HA CYS 27 4.674 -8.999 -2.976 221 HB2 CYS 27 2HB CYS 27 5.764 -8.917 -5.797 222 HB3 CYS 27 1HB CYS 27 4.473 -9.984 -5.250 Start of MODEL 13 1 H1 ASN 1 1HT ASN 1 -8.702 12.123 -0.744 2 H2 ASN 1 2HT ASN 1 -7.030 12.199 -0.350 3 H3 ASN 1 3HT ASN 1 -8.135 11.573 0.746 4 HA ASN 1 HA ASN 1 -8.564 9.696 -0.499 5 HB2 ASN 1 2HB ASN 1 -6.767 10.926 -2.606 6 HB3 ASN 1 1HB ASN 1 -7.369 9.274 -2.638 7 HD21 ASN 1 1HD2 ASN 1 -8.496 9.521 -4.519 8 HD22 ASN 1 2HD2 ASN 1 -9.912 10.492 -4.647 9 H ASP 2 H ASP 2 -7.510 8.036 0.259 10 HA ASP 2 HA ASP 2 -4.870 8.539 1.374 11 HB2 ASP 2 2HB ASP 2 -6.771 7.495 2.708 12 HB3 ASP 2 1HB ASP 2 -6.632 6.104 1.643 13 H LYS 3 H LYS 3 -3.102 7.704 0.422 14 HA LYS 3 HA LYS 3 -3.467 6.186 -2.019 15 HB2 LYS 3 2HB LYS 3 -1.011 7.325 -0.701 16 HB3 LYS 3 1HB LYS 3 -0.973 6.385 -2.180 17 HG2 LYS 3 2HG LYS 3 -2.254 8.061 -3.333 18 HG3 LYS 3 1HG LYS 3 -2.459 8.983 -1.838 19 HD2 LYS 3 2HD LYS 3 -0.081 9.365 -1.702 20 HD3 LYS 3 1HD LYS 3 0.203 8.338 -3.105 21 HE2 LYS 3 2HE LYS 3 -1.405 10.890 -3.145 22 HE3 LYS 3 1HE LYS 3 0.294 10.776 -3.594 23 HZ1 LYS 3 1HZ LYS 3 -1.936 9.334 -4.932 24 HZ2 LYS 3 2HZ LYS 3 -0.326 9.225 -5.346 25 HZ3 LYS 3 3HZ LYS 3 -1.143 10.689 -5.534 26 H CYS 4 H CYS 4 -2.500 5.691 1.247 27 HA CYS 4 HA CYS 4 -0.929 3.372 0.869 28 HB2 CYS 4 2HB CYS 4 -0.794 4.773 2.897 29 HB3 CYS 4 1HB CYS 4 -2.435 4.308 3.325 30 H LYS 5 H LYS 5 -4.272 3.819 1.931 31 HA LYS 5 HA LYS 5 -4.800 1.013 2.050 32 HB2 LYS 5 2HB LYS 5 -6.755 3.318 2.026 33 HB3 LYS 5 1HB LYS 5 -7.114 1.663 2.505 34 HG2 LYS 5 2HG LYS 5 -5.137 3.470 3.893 35 HG3 LYS 5 1HG LYS 5 -6.790 3.173 4.426 36 HD2 LYS 5 2HD LYS 5 -6.323 0.888 4.891 37 HD3 LYS 5 1HD LYS 5 -4.770 0.961 4.061 38 HE2 LYS 5 2HE LYS 5 -4.538 0.980 6.506 39 HE3 LYS 5 1HE LYS 5 -3.882 2.430 5.753 40 HZ1 LYS 5 1HZ LYS 5 -6.506 2.208 7.135 41 HZ2 LYS 5 2HZ LYS 5 -5.903 3.603 6.386 42 HZ3 LYS 5 3HZ LYS 5 -5.114 2.960 7.721 43 H GLU 6 H GLU 6 -5.058 3.399 -0.457 44 HA GLU 6 HA GLU 6 -6.767 1.845 -2.096 45 HB2 GLU 6 2HB GLU 6 -6.659 4.259 -2.365 46 HB3 GLU 6 1HB GLU 6 -4.945 4.166 -2.740 47 HG2 GLU 6 2HG GLU 6 -5.397 3.015 -4.777 48 HG3 GLU 6 1HG GLU 6 -7.112 2.907 -4.377 49 H LEU 7 H LEU 7 -3.250 2.442 -2.021 50 HA LEU 7 HA LEU 7 -2.688 0.710 -4.176 51 HB2 LEU 7 2HB LEU 7 -0.878 1.557 -1.917 52 HB3 LEU 7 1HB LEU 7 -0.351 0.752 -3.380 53 HG LEU 7 HG LEU 7 -1.474 3.537 -3.134 54 HD11 LEU 7 1HD1 LEU 7 0.717 4.210 -3.965 55 HD12 LEU 7 2HD1 LEU 7 1.229 2.520 -3.948 56 HD13 LEU 7 3HD1 LEU 7 0.823 3.334 -2.436 57 HD21 LEU 7 1HD2 LEU 7 -1.043 3.737 -5.551 58 HD22 LEU 7 2HD2 LEU 7 -2.312 2.578 -5.179 59 HD23 LEU 7 3HD2 LEU 7 -0.696 2.005 -5.613 60 H LYS 8 H LYS 8 -3.020 0.190 -0.739 61 HA LYS 8 HA LYS 8 -1.997 -2.436 -0.673 62 HB2 LYS 8 2HB LYS 8 -2.446 -0.907 1.305 63 HB3 LYS 8 1HB LYS 8 -4.146 -1.317 1.135 64 HG2 LYS 8 2HG LYS 8 -3.626 -3.664 1.532 65 HG3 LYS 8 1HG LYS 8 -1.915 -3.260 1.679 66 HD2 LYS 8 2HD LYS 8 -2.491 -1.781 3.592 67 HD3 LYS 8 1HD LYS 8 -4.157 -2.350 3.477 68 HE2 LYS 8 2HE LYS 8 -1.725 -4.058 4.024 69 HE3 LYS 8 1HE LYS 8 -2.928 -3.556 5.205 70 HZ1 LYS 8 1HZ LYS 8 -4.596 -4.834 3.970 71 HZ2 LYS 8 2HZ LYS 8 -3.338 -5.813 4.465 72 HZ3 LYS 8 3HZ LYS 8 -3.421 -5.336 2.871 73 H LYS 9 H LYS 9 -5.001 -1.151 -1.764 74 HA LYS 9 HA LYS 9 -6.289 -3.749 -1.806 75 HB2 LYS 9 2HB LYS 9 -7.625 -1.747 -1.295 76 HB3 LYS 9 1HB LYS 9 -7.201 -1.066 -2.855 77 HG2 LYS 9 2HG LYS 9 -8.431 -2.795 -3.992 78 HG3 LYS 9 1HG LYS 9 -8.769 -3.602 -2.457 79 HD2 LYS 9 2HD LYS 9 -10.037 -1.677 -1.702 80 HD3 LYS 9 1HD LYS 9 -9.646 -0.820 -3.192 81 HE2 LYS 9 2HE LYS 9 -11.182 -3.402 -3.045 82 HE3 LYS 9 1HE LYS 9 -11.909 -1.805 -3.186 83 HZ1 LYS 9 1HZ LYS 9 -10.626 -1.541 -5.278 84 HZ2 LYS 9 2HZ LYS 9 -11.802 -2.709 -5.329 85 HZ3 LYS 9 3HZ LYS 9 -10.186 -3.170 -5.204 86 H ARG 10 H ARG 10 -4.715 -1.491 -3.960 87 HA ARG 10 HA ARG 10 -5.288 -2.846 -6.379 88 HB2 ARG 10 2HB ARG 10 -3.043 -0.955 -5.679 89 HB3 ARG 10 1HB ARG 10 -3.339 -1.559 -7.300 90 HG2 ARG 10 2HG ARG 10 -5.580 -0.529 -7.236 91 HG3 ARG 10 1HG ARG 10 -5.181 0.124 -5.640 92 HD2 ARG 10 2HD ARG 10 -3.353 1.392 -6.587 93 HD3 ARG 10 1HD ARG 10 -3.659 0.692 -8.175 94 HE ARG 10 HE ARG 10 -6.011 1.875 -7.306 95 HH11 ARG 10 1HH1 ARG 10 -2.757 2.951 -8.255 96 HH12 ARG 10 2HH1 ARG 10 -3.292 4.452 -8.843 97 HH21 ARG 10 1HH2 ARG 10 -6.710 3.907 -8.108 98 HH22 ARG 10 2HH2 ARG 10 -5.607 5.033 -8.755 99 H TYR 11 H TYR 11 -2.877 -3.289 -3.940 100 HA TYR 11 HA TYR 11 -1.869 -5.586 -5.469 101 HB2 TYR 11 2HB TYR 11 -0.374 -3.928 -3.405 102 HB3 TYR 11 1HB TYR 11 0.285 -5.324 -4.243 103 HD1 TYR 11 1HD TYR 11 -0.672 -1.794 -4.549 104 HD2 TYR 11 2HD TYR 11 1.005 -5.138 -6.574 105 HE1 TYR 11 1HE TYR 11 0.077 -0.313 -6.332 106 HE2 TYR 11 2HE TYR 11 1.778 -3.671 -8.371 107 HH TYR 11 HH TYR 11 1.110 -1.456 -9.316 108 HA PRO 12 HA PRO 12 -4.170 -6.925 -1.727 109 HB2 PRO 12 2HB PRO 12 -5.386 -9.096 -2.817 110 HB3 PRO 12 1HB PRO 12 -6.028 -7.456 -2.941 111 HG2 PRO 12 2HG PRO 12 -4.544 -9.072 -4.947 112 HG3 PRO 12 1HG PRO 12 -5.867 -7.924 -5.191 113 HD2 PRO 12 2HD PRO 12 -3.215 -7.355 -5.660 114 HD3 PRO 12 1HD PRO 12 -4.447 -6.132 -5.300 115 H ASN 13 H ASN 13 -2.158 -8.861 -3.839 116 HA ASN 13 HA ASN 13 -1.717 -10.733 -1.624 117 HB2 ASN 13 2HB ASN 13 -1.133 -11.012 -4.564 118 HB3 ASN 13 1HB ASN 13 -0.538 -12.140 -3.356 119 HD21 ASN 13 1HD2 ASN 13 -1.992 -13.457 -2.292 120 HD22 ASN 13 2HD2 ASN 13 -3.574 -13.762 -2.882 121 H CYS 14 H CYS 14 -0.575 -7.998 -2.067 122 HA CYS 14 HA CYS 14 2.151 -8.854 -1.540 123 HB2 CYS 14 2HB CYS 14 1.375 -6.397 -3.120 124 HB3 CYS 14 1HB CYS 14 3.003 -6.828 -2.636 125 H GLU 15 H GLU 15 3.279 -7.293 -0.252 126 HA GLU 15 HA GLU 15 1.586 -6.217 1.849 127 HB2 GLU 15 2HB GLU 15 4.578 -6.431 1.592 128 HB3 GLU 15 1HB GLU 15 3.711 -5.912 3.019 129 HG2 GLU 15 2HG GLU 15 2.845 -8.101 3.360 130 HG3 GLU 15 1HG GLU 15 3.491 -8.646 1.806 131 H VAL 16 H VAL 16 0.860 -4.209 1.097 132 HA VAL 16 HA VAL 16 2.872 -2.404 0.087 133 HB VAL 16 HB VAL 16 -0.068 -1.880 0.710 134 HG11 VAL 16 1HG1 VAL 16 0.231 0.212 -0.545 135 HG12 VAL 16 2HG1 VAL 16 1.948 -0.143 -0.738 136 HG13 VAL 16 3HG1 VAL 16 1.289 0.172 0.868 137 HG21 VAL 16 1HG2 VAL 16 1.367 -2.333 -1.903 138 HG22 VAL 16 2HG2 VAL 16 -0.318 -1.854 -1.749 139 HG23 VAL 16 3HG2 VAL 16 0.213 -3.426 -1.138 140 H ARG 17 H ARG 17 4.250 -1.905 1.543 141 HA ARG 17 HA ARG 17 3.361 -1.417 4.264 142 HB2 ARG 17 2HB ARG 17 6.171 -1.849 3.204 143 HB3 ARG 17 1HB ARG 17 5.687 -1.791 4.898 144 HG2 ARG 17 2HG ARG 17 4.289 -3.797 4.547 145 HG3 ARG 17 1HG ARG 17 4.852 -3.870 2.883 146 HD2 ARG 17 2HD ARG 17 6.072 -5.451 4.209 147 HD3 ARG 17 1HD ARG 17 7.161 -4.150 3.737 148 HE ARG 17 HE ARG 17 6.991 -3.272 5.945 149 HH11 ARG 17 1HH1 ARG 17 5.743 -6.621 5.584 150 HH12 ARG 17 2HH1 ARG 17 5.936 -6.983 7.221 151 HH21 ARG 17 1HH2 ARG 17 7.282 -3.867 8.226 152 HH22 ARG 17 2HH2 ARG 17 6.820 -5.420 8.721 153 H CYS 18 H CYS 18 2.711 0.556 4.362 154 HA CYS 18 HA CYS 18 3.909 2.665 2.839 155 HB2 CYS 18 2HB CYS 18 1.798 2.828 4.985 156 HB3 CYS 18 1HB CYS 18 2.151 4.023 3.741 157 H ASP 19 H ASP 19 5.586 3.767 3.478 158 HA ASP 19 HA ASP 19 6.079 4.164 6.338 159 HB2 ASP 19 2HB ASP 19 7.886 2.834 5.260 160 HB3 ASP 19 1HB ASP 19 8.078 4.084 4.043 161 HA DPR 20 HA DPR 20 5.818 8.573 5.544 162 HB2 DPR 20 1HB DPR 20 2.885 8.110 5.887 163 HB3 DPR 20 2HB DPR 20 3.945 9.267 6.711 164 HG2 DPR 20 1HG DPR 20 3.222 7.156 8.081 165 HG3 DPR 20 2HG DPR 20 4.965 7.595 7.934 166 HD2 DPR 20 1HD DPR 20 3.522 5.544 6.321 167 HD3 DPR 20 2HD DPR 20 4.931 5.348 7.391 168 HA PRO 21 HA PRO 21 3.730 9.077 1.580 169 HB2 PRO 21 2HB PRO 21 5.597 10.559 0.405 170 HB3 PRO 21 1HB PRO 21 4.631 11.224 1.728 171 HG2 PRO 21 2HG PRO 21 7.429 10.193 1.765 172 HG3 PRO 21 1HG PRO 21 6.744 11.598 2.600 173 HD2 PRO 21 2HD PRO 21 7.175 9.087 3.736 174 HD3 PRO 21 1HD PRO 21 6.089 10.337 4.378 175 H ARG 22 H ARG 22 6.129 7.065 2.462 176 HA ARG 22 HA ARG 22 6.958 6.388 -0.282 177 HB2 ARG 22 2HB ARG 22 8.116 5.481 2.357 178 HB3 ARG 22 1HB ARG 22 8.778 5.133 0.767 179 HG2 ARG 22 2HG ARG 22 9.254 7.491 0.427 180 HG3 ARG 22 1HG ARG 22 8.523 7.875 1.985 181 HD2 ARG 22 2HD ARG 22 10.188 6.502 3.107 182 HD3 ARG 22 1HD ARG 22 10.934 6.122 1.554 183 HE ARG 22 HE ARG 22 10.793 8.894 1.875 184 HH11 ARG 22 1HH1 ARG 22 12.475 6.130 3.296 185 HH12 ARG 22 2HH1 ARG 22 13.893 6.983 3.678 186 HH21 ARG 22 1HH2 ARG 22 12.776 10.104 2.401 187 HH22 ARG 22 2HH2 ARG 22 14.068 9.293 3.156 188 H TYR 23 H TYR 23 6.061 4.634 -1.172 189 HA TYR 23 HA TYR 23 4.629 2.812 0.630 190 HB2 TYR 23 2HB TYR 23 4.003 3.324 -2.290 191 HB3 TYR 23 1HB TYR 23 3.024 2.433 -1.127 192 HD1 TYR 23 1HD TYR 23 3.766 5.641 -2.534 193 HD2 TYR 23 2HD TYR 23 1.997 3.717 0.819 194 HE1 TYR 23 1HE TYR 23 2.659 7.725 -1.941 195 HE2 TYR 23 2HE TYR 23 0.869 5.807 1.427 196 HH TYR 23 HH TYR 23 1.125 8.190 1.072 197 H GLU 24 H GLU 24 5.785 1.070 0.893 198 HA GLU 24 HA GLU 24 7.448 0.117 -1.284 199 HB2 GLU 24 2HB GLU 24 7.441 -0.356 1.680 200 HB3 GLU 24 1HB GLU 24 8.414 -1.314 0.571 201 HG2 GLU 24 2HG GLU 24 8.573 1.677 0.782 202 HG3 GLU 24 1HG GLU 24 9.621 0.555 1.656 203 H VAL 25 H VAL 25 6.508 -1.345 -2.493 204 HA VAL 25 HA VAL 25 4.586 -3.095 -1.204 205 HB VAL 25 HB VAL 25 3.617 -1.927 -3.104 206 HG11 VAL 25 1HG1 VAL 25 5.570 -1.495 -4.446 207 HG12 VAL 25 2HG1 VAL 25 4.366 -2.369 -5.416 208 HG13 VAL 25 3HG1 VAL 25 5.759 -3.224 -4.739 209 HG21 VAL 25 1HG2 VAL 25 2.790 -4.154 -2.659 210 HG22 VAL 25 2HG2 VAL 25 4.029 -4.848 -3.703 211 HG23 VAL 25 3HG2 VAL 25 2.762 -3.832 -4.393 212 H HIS 26 H HIS 26 5.316 -4.819 -0.501 213 HA HIS 26 HA HIS 26 7.565 -6.173 -1.825 214 HB2 HIS 26 2HB HIS 26 6.442 -6.443 0.969 215 HB3 HIS 26 1HB HIS 26 7.782 -7.386 0.322 216 HD1 HIS 26 1HD HIS 26 9.899 -6.566 1.341 217 HD2 HIS 26 2HD HIS 26 7.215 -3.461 0.695 218 HE1 HIS 26 1HE HIS 26 11.021 -4.476 2.224 219 H CYS 27 H CYS 27 6.996 -7.977 -2.958 220 HA CYS 27 HA CYS 27 4.377 -9.098 -2.349 221 HB2 CYS 27 2HB CYS 27 6.056 -9.348 -4.841 222 HB3 CYS 27 1HB CYS 27 4.516 -10.167 -4.592 Start of MODEL 14 1 H1 ASN 1 1HT ASN 1 -6.786 10.539 2.032 2 H2 ASN 1 2HT ASN 1 -7.595 11.632 1.016 3 H3 ASN 1 3HT ASN 1 -5.977 11.898 1.479 4 HA ASN 1 HA ASN 1 -6.828 9.594 -0.115 5 HB2 ASN 1 2HB ASN 1 -5.314 12.085 -0.992 6 HB3 ASN 1 1HB ASN 1 -5.650 10.687 -1.986 7 HD21 ASN 1 1HD2 ASN 1 -6.731 11.806 -3.517 8 HD22 ASN 1 2HD2 ASN 1 -8.275 12.528 -3.312 9 H ASP 2 H ASP 2 -5.168 8.176 -0.494 10 HA ASP 2 HA ASP 2 -2.471 8.699 -0.093 11 HB2 ASP 2 2HB ASP 2 -1.960 7.372 1.846 12 HB3 ASP 2 1HB ASP 2 -3.057 8.652 2.333 13 H LYS 3 H LYS 3 -1.207 7.109 -0.724 14 HA LYS 3 HA LYS 3 -2.617 5.346 -2.491 15 HB2 LYS 3 2HB LYS 3 0.336 5.782 -2.077 16 HB3 LYS 3 1HB LYS 3 -0.288 4.531 -3.127 17 HG2 LYS 3 2HG LYS 3 0.353 6.376 -4.476 18 HG3 LYS 3 1HG LYS 3 -1.403 6.313 -4.469 19 HD2 LYS 3 2HD LYS 3 -1.479 8.133 -2.860 20 HD3 LYS 3 1HD LYS 3 0.286 8.152 -2.772 21 HE2 LYS 3 2HE LYS 3 0.392 8.696 -5.149 22 HE3 LYS 3 1HE LYS 3 -1.366 8.677 -5.229 23 HZ1 LYS 3 1HZ LYS 3 0.247 10.537 -3.577 24 HZ2 LYS 3 2HZ LYS 3 -1.441 10.545 -3.733 25 HZ3 LYS 3 3HZ LYS 3 -0.469 10.901 -5.052 26 H CYS 4 H CYS 4 -1.660 5.146 0.684 27 HA CYS 4 HA CYS 4 -0.794 2.440 0.724 28 HB2 CYS 4 2HB CYS 4 -0.414 4.105 2.580 29 HB3 CYS 4 1HB CYS 4 -2.125 3.956 2.971 30 H LYS 5 H LYS 5 -3.858 4.091 1.274 31 HA LYS 5 HA LYS 5 -5.372 1.729 1.721 32 HB2 LYS 5 2HB LYS 5 -6.141 4.519 0.953 33 HB3 LYS 5 1HB LYS 5 -7.350 3.257 1.097 34 HG2 LYS 5 2HG LYS 5 -5.472 4.127 3.281 35 HG3 LYS 5 1HG LYS 5 -7.142 4.663 3.123 36 HD2 LYS 5 2HD LYS 5 -6.236 1.799 3.553 37 HD3 LYS 5 1HD LYS 5 -6.926 2.867 4.768 38 HE2 LYS 5 2HE LYS 5 -9.007 3.007 3.473 39 HE3 LYS 5 1HE LYS 5 -8.325 1.941 2.254 40 HZ1 LYS 5 1HZ LYS 5 -9.781 0.780 3.802 41 HZ2 LYS 5 2HZ LYS 5 -8.799 1.194 5.092 42 HZ3 LYS 5 3HZ LYS 5 -8.222 0.164 3.897 43 H GLU 6 H GLU 6 -4.222 3.207 -1.100 44 HA GLU 6 HA GLU 6 -6.132 1.835 -2.781 45 HB2 GLU 6 2HB GLU 6 -3.805 3.569 -3.566 46 HB3 GLU 6 1HB GLU 6 -5.049 2.953 -4.644 47 HG2 GLU 6 2HG GLU 6 -6.718 4.195 -3.217 48 HG3 GLU 6 1HG GLU 6 -5.333 4.977 -2.453 49 H LEU 7 H LEU 7 -2.640 1.746 -2.133 50 HA LEU 7 HA LEU 7 -2.143 -0.282 -4.052 51 HB2 LEU 7 2HB LEU 7 -0.473 0.534 -1.680 52 HB3 LEU 7 1HB LEU 7 0.070 -0.506 -2.979 53 HG LEU 7 HG LEU 7 -0.638 2.421 -3.204 54 HD11 LEU 7 1HD1 LEU 7 1.442 2.051 -2.049 55 HD12 LEU 7 2HD1 LEU 7 1.742 2.725 -3.652 56 HD13 LEU 7 3HD1 LEU 7 2.012 1.009 -3.353 57 HD21 LEU 7 1HD2 LEU 7 0.222 2.300 -5.464 58 HD22 LEU 7 2HD2 LEU 7 -1.177 1.236 -5.281 59 HD23 LEU 7 3HD2 LEU 7 0.463 0.562 -5.302 60 H LYS 8 H LYS 8 -2.910 -0.360 -0.602 61 HA LYS 8 HA LYS 8 -2.370 -3.155 -0.347 62 HB2 LYS 8 2HB LYS 8 -2.402 -1.512 1.555 63 HB3 LYS 8 1HB LYS 8 -4.143 -1.397 1.374 64 HG2 LYS 8 2HG LYS 8 -4.391 -3.724 2.003 65 HG3 LYS 8 1HG LYS 8 -2.637 -3.905 2.095 66 HD2 LYS 8 2HD LYS 8 -2.546 -2.244 3.881 67 HD3 LYS 8 1HD LYS 8 -4.291 -2.031 3.776 68 HE2 LYS 8 2HE LYS 8 -3.710 -3.467 5.653 69 HE3 LYS 8 1HE LYS 8 -4.608 -4.376 4.447 70 HZ1 LYS 8 1HZ LYS 8 -2.498 -5.302 3.655 71 HZ2 LYS 8 2HZ LYS 8 -2.749 -5.632 5.282 72 HZ3 LYS 8 3HZ LYS 8 -1.667 -4.432 4.830 73 H LYS 9 H LYS 9 -4.898 -1.292 -1.535 74 HA LYS 9 HA LYS 9 -6.990 -3.286 -1.431 75 HB2 LYS 9 2HB LYS 9 -7.541 -0.946 -1.215 76 HB3 LYS 9 1HB LYS 9 -6.719 -0.573 -2.713 77 HG2 LYS 9 2HG LYS 9 -8.390 -1.839 -3.937 78 HG3 LYS 9 1HG LYS 9 -9.231 -2.191 -2.425 79 HD2 LYS 9 2HD LYS 9 -9.559 0.208 -2.057 80 HD3 LYS 9 1HD LYS 9 -8.723 0.550 -3.572 81 HE2 LYS 9 2HE LYS 9 -11.149 0.639 -3.840 82 HE3 LYS 9 1HE LYS 9 -10.433 -0.645 -4.812 83 HZ1 LYS 9 1HZ LYS 9 -11.147 -2.259 -3.173 84 HZ2 LYS 9 2HZ LYS 9 -12.452 -1.344 -3.680 85 HZ3 LYS 9 3HZ LYS 9 -11.758 -1.036 -2.179 86 H ARG 10 H ARG 10 -4.826 -1.815 -3.749 87 HA ARG 10 HA ARG 10 -5.870 -3.107 -6.067 88 HB2 ARG 10 2HB ARG 10 -4.624 -0.828 -5.798 89 HB3 ARG 10 1HB ARG 10 -3.204 -1.823 -5.822 90 HG2 ARG 10 2HG ARG 10 -3.518 -2.509 -8.010 91 HG3 ARG 10 1HG ARG 10 -5.207 -1.984 -8.029 92 HD2 ARG 10 2HD ARG 10 -2.800 -0.197 -7.789 93 HD3 ARG 10 1HD ARG 10 -3.806 -0.405 -9.233 94 HE ARG 10 HE ARG 10 -5.623 0.320 -7.456 95 HH11 ARG 10 1HH1 ARG 10 -2.473 1.822 -8.159 96 HH12 ARG 10 2HH1 ARG 10 -2.953 3.370 -7.635 97 HH21 ARG 10 1HH2 ARG 10 -6.259 2.521 -6.793 98 HH22 ARG 10 2HH2 ARG 10 -5.109 3.774 -6.894 99 H TYR 11 H TYR 11 -3.319 -3.742 -3.767 100 HA TYR 11 HA TYR 11 -2.617 -6.149 -5.288 101 HB2 TYR 11 2HB TYR 11 -0.753 -4.522 -3.535 102 HB3 TYR 11 1HB TYR 11 -0.323 -5.950 -4.468 103 HD1 TYR 11 1HD TYR 11 -0.944 -2.376 -4.545 104 HD2 TYR 11 2HD TYR 11 -0.166 -5.814 -6.918 105 HE1 TYR 11 1HE TYR 11 -0.419 -0.929 -6.459 106 HE2 TYR 11 2HE TYR 11 0.383 -4.388 -8.830 107 HH TYR 11 HH TYR 11 0.901 -1.066 -8.569 108 HA PRO 12 HA PRO 12 -4.318 -7.259 -1.112 109 HB2 PRO 12 2HB PRO 12 -5.390 -9.559 -2.611 110 HB3 PRO 12 1HB PRO 12 -6.237 -8.415 -1.565 111 HG2 PRO 12 2HG PRO 12 -6.583 -8.348 -4.206 112 HG3 PRO 12 1HG PRO 12 -6.492 -6.849 -3.265 113 HD2 PRO 12 2HD PRO 12 -4.366 -8.178 -4.901 114 HD3 PRO 12 1HD PRO 12 -4.842 -6.465 -4.857 115 H ASN 13 H ASN 13 -2.597 -9.113 -3.530 116 HA ASN 13 HA ASN 13 -1.835 -11.045 -1.476 117 HB2 ASN 13 2HB ASN 13 -1.463 -11.183 -4.471 118 HB3 ASN 13 1HB ASN 13 -0.793 -12.361 -3.354 119 HD21 ASN 13 1HD2 ASN 13 -1.946 -14.096 -4.022 120 HD22 ASN 13 2HD2 ASN 13 -3.659 -14.230 -3.873 121 H CYS 14 H CYS 14 -0.787 -8.217 -2.182 122 HA CYS 14 HA CYS 14 2.035 -8.987 -1.960 123 HB2 CYS 14 2HB CYS 14 0.898 -6.344 -2.903 124 HB3 CYS 14 1HB CYS 14 2.600 -6.755 -2.797 125 H GLU 15 H GLU 15 3.238 -7.212 -0.705 126 HA GLU 15 HA GLU 15 1.648 -6.442 1.617 127 HB2 GLU 15 2HB GLU 15 3.148 -8.274 2.153 128 HB3 GLU 15 1HB GLU 15 4.495 -7.427 1.416 129 HG2 GLU 15 2HG GLU 15 4.380 -5.724 3.144 130 HG3 GLU 15 1HG GLU 15 3.003 -6.558 3.867 131 H VAL 16 H VAL 16 1.408 -4.304 1.479 132 HA VAL 16 HA VAL 16 3.648 -2.813 0.407 133 HB VAL 16 HB VAL 16 1.701 -2.465 -0.973 134 HG11 VAL 16 1HG1 VAL 16 0.217 -1.521 1.463 135 HG12 VAL 16 2HG1 VAL 16 -0.022 -3.046 0.607 136 HG13 VAL 16 3HG1 VAL 16 -0.369 -1.525 -0.208 137 HG21 VAL 16 1HG2 VAL 16 2.175 -0.011 0.718 138 HG22 VAL 16 2HG2 VAL 16 1.455 -0.043 -0.898 139 HG23 VAL 16 3HG2 VAL 16 3.133 -0.527 -0.673 140 H ARG 17 H ARG 17 4.795 -1.705 1.577 141 HA ARG 17 HA ARG 17 4.091 -1.286 4.382 142 HB2 ARG 17 2HB ARG 17 6.703 -0.723 2.949 143 HB3 ARG 17 1HB ARG 17 6.440 -0.624 4.682 144 HG2 ARG 17 2HG ARG 17 5.879 -3.076 4.632 145 HG3 ARG 17 1HG ARG 17 6.422 -3.084 2.959 146 HD2 ARG 17 2HD ARG 17 8.097 -2.294 5.345 147 HD3 ARG 17 1HD ARG 17 8.159 -3.843 4.519 148 HE ARG 17 HE ARG 17 8.730 -1.433 2.966 149 HH11 ARG 17 1HH1 ARG 17 9.987 -4.323 4.625 150 HH12 ARG 17 2HH1 ARG 17 11.501 -4.274 3.879 151 HH21 ARG 17 1HH2 ARG 17 10.847 -1.352 1.948 152 HH22 ARG 17 2HH2 ARG 17 12.011 -2.533 2.329 153 H CYS 18 H CYS 18 3.643 0.689 5.224 154 HA CYS 18 HA CYS 18 3.790 2.941 3.352 155 HB2 CYS 18 2HB CYS 18 1.631 2.400 5.387 156 HB3 CYS 18 1HB CYS 18 1.681 3.732 4.236 157 H ASP 19 H ASP 19 5.019 4.493 4.063 158 HA ASP 19 HA ASP 19 5.113 5.074 6.931 159 HB2 ASP 19 2HB ASP 19 7.237 3.998 6.351 160 HB3 ASP 19 1HB ASP 19 7.475 5.086 5.003 161 HA DPR 20 HA DPR 20 4.398 9.333 5.724 162 HB2 DPR 20 1HB DPR 20 1.539 8.443 5.806 163 HB3 DPR 20 2HB DPR 20 2.311 9.830 6.599 164 HG2 DPR 20 1HG DPR 20 1.761 7.781 8.118 165 HG3 DPR 20 2HG DPR 20 3.428 8.471 8.098 166 HD2 DPR 20 1HD DPR 20 2.489 6.066 6.598 167 HD3 DPR 20 2HD DPR 20 3.792 6.210 7.807 168 HA PRO 21 HA PRO 21 2.869 9.090 1.479 169 HB2 PRO 21 2HB PRO 21 4.638 10.759 0.378 170 HB3 PRO 21 1HB PRO 21 3.359 11.368 1.435 171 HG2 PRO 21 2HG PRO 21 6.253 10.975 2.003 172 HG3 PRO 21 1HG PRO 21 5.152 12.223 2.603 173 HD2 PRO 21 2HD PRO 21 5.933 9.884 3.969 174 HD3 PRO 21 1HD PRO 21 4.604 10.975 4.418 175 H ARG 22 H ARG 22 5.356 7.587 2.897 176 HA ARG 22 HA ARG 22 6.792 6.788 0.437 177 HB2 ARG 22 2HB ARG 22 8.002 7.289 2.625 178 HB3 ARG 22 1HB ARG 22 7.215 5.864 3.272 179 HG2 ARG 22 2HG ARG 22 8.328 4.612 1.330 180 HG3 ARG 22 1HG ARG 22 9.355 6.034 1.180 181 HD2 ARG 22 2HD ARG 22 9.136 4.081 3.440 182 HD3 ARG 22 1HD ARG 22 10.569 4.630 2.583 183 HE ARG 22 HE ARG 22 9.079 6.461 4.334 184 HH11 ARG 22 1HH1 ARG 22 12.162 4.926 3.494 185 HH12 ARG 22 2HH1 ARG 22 12.990 5.543 4.843 186 HH21 ARG 22 1HH2 ARG 22 10.179 7.263 6.162 187 HH22 ARG 22 2HH2 ARG 22 11.852 6.957 6.396 188 H TYR 23 H TYR 23 6.019 5.037 -0.634 189 HA TYR 23 HA TYR 23 4.637 2.990 0.958 190 HB2 TYR 23 2HB TYR 23 3.833 3.802 -1.844 191 HB3 TYR 23 1HB TYR 23 3.003 2.683 -0.770 192 HD1 TYR 23 1HD TYR 23 2.191 3.733 1.503 193 HD2 TYR 23 2HD TYR 23 3.089 5.948 -1.987 194 HE1 TYR 23 1HE TYR 23 0.834 5.605 2.350 195 HE2 TYR 23 2HE TYR 23 1.735 7.829 -1.161 196 HH TYR 23 HH TYR 23 0.699 8.040 2.014 197 H GLU 24 H GLU 24 5.335 0.997 0.579 198 HA GLU 24 HA GLU 24 6.971 0.514 -1.830 199 HB2 GLU 24 2HB GLU 24 8.332 0.815 0.270 200 HB3 GLU 24 1HB GLU 24 7.513 -0.595 0.924 201 HG2 GLU 24 2HG GLU 24 9.637 -1.279 0.102 202 HG3 GLU 24 1HG GLU 24 8.399 -1.912 -0.987 203 H VAL 25 H VAL 25 5.744 -0.903 -2.972 204 HA VAL 25 HA VAL 25 4.238 -2.861 -1.451 205 HB VAL 25 HB VAL 25 2.777 -1.615 -2.915 206 HG11 VAL 25 1HG1 VAL 25 4.570 -2.394 -5.187 207 HG12 VAL 25 2HG1 VAL 25 4.355 -0.784 -4.492 208 HG13 VAL 25 3HG1 VAL 25 3.013 -1.563 -5.343 209 HG21 VAL 25 1HG2 VAL 25 2.235 -3.971 -2.687 210 HG22 VAL 25 2HG2 VAL 25 3.259 -4.360 -4.067 211 HG23 VAL 25 3HG2 VAL 25 1.800 -3.398 -4.297 212 H HIS 26 H HIS 26 5.210 -4.601 -1.087 213 HA HIS 26 HA HIS 26 7.116 -5.671 -3.045 214 HB2 HIS 26 2HB HIS 26 7.856 -4.997 -0.700 215 HB3 HIS 26 1HB HIS 26 6.828 -6.284 -0.095 216 HD1 HIS 26 1HD HIS 26 7.814 -8.629 -0.109 217 HD2 HIS 26 2HD HIS 26 10.117 -5.844 -2.147 218 HE1 HIS 26 1HE HIS 26 10.032 -9.747 -0.553 219 H CYS 27 H CYS 27 6.570 -7.654 -3.919 220 HA CYS 27 HA CYS 27 4.092 -8.830 -2.901 221 HB2 CYS 27 2HB CYS 27 5.250 -8.939 -5.693 222 HB3 CYS 27 1HB CYS 27 3.774 -9.750 -5.183 Start of MODEL 15 1 H1 ASN 1 1HT ASN 1 -5.183 12.455 -1.375 2 H2 ASN 1 2HT ASN 1 -3.609 11.797 -1.365 3 H3 ASN 1 3HT ASN 1 -4.410 12.078 0.070 4 HA ASN 1 HA ASN 1 -6.045 10.402 -0.428 5 HB2 ASN 1 2HB ASN 1 -4.389 9.979 -2.937 6 HB3 ASN 1 1HB ASN 1 -5.686 8.934 -2.387 7 HD21 ASN 1 1HD2 ASN 1 -6.811 9.209 -4.268 8 HD22 ASN 1 2HD2 ASN 1 -7.637 10.676 -4.664 9 H ASP 2 H ASP 2 -5.563 8.744 0.880 10 HA ASP 2 HA ASP 2 -2.815 8.140 1.482 11 HB2 ASP 2 2HB ASP 2 -5.299 6.551 2.184 12 HB3 ASP 2 1HB ASP 2 -3.698 6.302 2.853 13 H LYS 3 H LYS 3 -1.778 7.334 -0.252 14 HA LYS 3 HA LYS 3 -3.125 5.527 -1.975 15 HB2 LYS 3 2HB LYS 3 -0.258 6.432 -1.960 16 HB3 LYS 3 1HB LYS 3 -0.924 5.347 -3.178 17 HG2 LYS 3 2HG LYS 3 -2.586 7.064 -3.790 18 HG3 LYS 3 1HG LYS 3 -1.875 8.156 -2.606 19 HD2 LYS 3 2HD LYS 3 -0.430 6.997 -4.991 20 HD3 LYS 3 1HD LYS 3 -1.142 8.604 -4.926 21 HE2 LYS 3 2HE LYS 3 0.347 9.235 -3.122 22 HE3 LYS 3 1HE LYS 3 1.020 7.608 -3.073 23 HZ1 LYS 3 1HZ LYS 3 2.417 9.167 -4.258 24 HZ2 LYS 3 2HZ LYS 3 1.211 9.433 -5.413 25 HZ3 LYS 3 3HZ LYS 3 1.910 7.905 -5.242 26 H CYS 4 H CYS 4 -1.735 5.069 0.922 27 HA CYS 4 HA CYS 4 -0.696 2.459 0.719 28 HB2 CYS 4 2HB CYS 4 -0.471 3.910 2.720 29 HB3 CYS 4 1HB CYS 4 -2.198 3.733 3.022 30 H LYS 5 H LYS 5 -3.922 3.768 1.255 31 HA LYS 5 HA LYS 5 -5.256 1.287 1.620 32 HB2 LYS 5 2HB LYS 5 -6.382 3.969 0.777 33 HB3 LYS 5 1HB LYS 5 -7.290 2.627 1.467 34 HG2 LYS 5 2HG LYS 5 -6.142 2.862 3.572 35 HG3 LYS 5 1HG LYS 5 -5.080 4.095 2.900 36 HD2 LYS 5 2HD LYS 5 -6.748 5.182 4.223 37 HD3 LYS 5 1HD LYS 5 -7.107 5.508 2.531 38 HE2 LYS 5 2HE LYS 5 -8.812 3.767 2.549 39 HE3 LYS 5 1HE LYS 5 -8.439 3.414 4.237 40 HZ1 LYS 5 1HZ LYS 5 -10.355 4.834 4.079 41 HZ2 LYS 5 2HZ LYS 5 -9.502 5.979 3.184 42 HZ3 LYS 5 3HZ LYS 5 -9.089 5.694 4.791 43 H GLU 6 H GLU 6 -4.418 3.279 -1.086 44 HA GLU 6 HA GLU 6 -6.065 2.077 -3.047 45 HB2 GLU 6 2HB GLU 6 -4.881 4.368 -3.069 46 HB3 GLU 6 1HB GLU 6 -3.419 3.493 -3.463 47 HG2 GLU 6 2HG GLU 6 -5.906 3.399 -5.141 48 HG3 GLU 6 1HG GLU 6 -4.649 4.606 -5.358 49 H LEU 7 H LEU 7 -2.576 1.815 -2.292 50 HA LEU 7 HA LEU 7 -1.966 -0.297 -4.022 51 HB2 LEU 7 2HB LEU 7 -0.681 0.370 -1.388 52 HB3 LEU 7 1HB LEU 7 -0.018 -0.731 -2.572 53 HG LEU 7 HG LEU 7 -0.390 2.242 -2.911 54 HD11 LEU 7 1HD1 LEU 7 1.377 1.616 -1.378 55 HD12 LEU 7 2HD1 LEU 7 2.034 2.286 -2.877 56 HD13 LEU 7 3HD1 LEU 7 2.073 0.544 -2.595 57 HD21 LEU 7 1HD2 LEU 7 0.877 1.954 -4.963 58 HD22 LEU 7 2HD2 LEU 7 -0.664 1.096 -5.044 59 HD23 LEU 7 3HD2 LEU 7 0.840 0.204 -4.763 60 H LYS 8 H LYS 8 -3.170 -0.343 -0.740 61 HA LYS 8 HA LYS 8 -2.866 -3.046 -0.145 62 HB2 LYS 8 2HB LYS 8 -3.470 -1.263 1.448 63 HB3 LYS 8 1HB LYS 8 -5.057 -1.165 0.706 64 HG2 LYS 8 2HG LYS 8 -5.521 -3.449 1.392 65 HG3 LYS 8 1HG LYS 8 -3.922 -3.550 2.138 66 HD2 LYS 8 2HD LYS 8 -4.510 -1.677 3.596 67 HD3 LYS 8 1HD LYS 8 -6.120 -1.626 2.872 68 HE2 LYS 8 2HE LYS 8 -6.506 -3.922 3.640 69 HE3 LYS 8 1HE LYS 8 -4.911 -3.925 4.391 70 HZ1 LYS 8 1HZ LYS 8 -5.639 -2.030 5.745 71 HZ2 LYS 8 2HZ LYS 8 -6.558 -3.416 6.018 72 HZ3 LYS 8 3HZ LYS 8 -7.180 -2.162 5.068 73 H LYS 9 H LYS 9 -5.521 -1.375 -1.771 74 HA LYS 9 HA LYS 9 -7.052 -3.814 -2.101 75 HB2 LYS 9 2HB LYS 9 -8.073 -1.534 -1.853 76 HB3 LYS 9 1HB LYS 9 -7.442 -1.124 -3.439 77 HG2 LYS 9 2HG LYS 9 -8.762 -3.159 -4.273 78 HG3 LYS 9 1HG LYS 9 -9.594 -3.087 -2.723 79 HD2 LYS 9 2HD LYS 9 -9.459 -0.885 -4.789 80 HD3 LYS 9 1HD LYS 9 -10.848 -1.902 -4.434 81 HE2 LYS 9 2HE LYS 9 -11.020 -0.950 -2.214 82 HE3 LYS 9 1HE LYS 9 -9.551 -0.013 -2.479 83 HZ1 LYS 9 1HZ LYS 9 -12.068 0.300 -4.033 84 HZ2 LYS 9 2HZ LYS 9 -10.683 1.225 -4.222 85 HZ3 LYS 9 3HZ LYS 9 -11.568 1.316 -2.790 86 H ARG 10 H ARG 10 -4.682 -2.012 -3.806 87 HA ARG 10 HA ARG 10 -5.220 -3.022 -6.430 88 HB2 ARG 10 2HB ARG 10 -4.008 -0.798 -5.744 89 HB3 ARG 10 1HB ARG 10 -2.639 -1.838 -5.482 90 HG2 ARG 10 2HG ARG 10 -2.500 -2.424 -7.758 91 HG3 ARG 10 1HG ARG 10 -4.054 -1.656 -8.118 92 HD2 ARG 10 2HD ARG 10 -3.101 0.511 -7.411 93 HD3 ARG 10 1HD ARG 10 -1.544 -0.273 -7.173 94 HE ARG 10 HE ARG 10 -1.937 -0.885 -9.668 95 HH11 ARG 10 1HH1 ARG 10 -2.597 2.237 -8.054 96 HH12 ARG 10 2HH1 ARG 10 -2.408 3.148 -9.472 97 HH21 ARG 10 1HH2 ARG 10 -1.682 0.418 -11.610 98 HH22 ARG 10 2HH2 ARG 10 -1.877 2.113 -11.525 99 H TYR 11 H TYR 11 -3.041 -3.794 -3.781 100 HA TYR 11 HA TYR 11 -2.326 -6.308 -5.111 101 HB2 TYR 11 2HB TYR 11 -0.471 -4.603 -3.446 102 HB3 TYR 11 1HB TYR 11 -0.037 -6.091 -4.260 103 HD1 TYR 11 1HD TYR 11 0.144 -6.080 -6.780 104 HD2 TYR 11 2HD TYR 11 -0.481 -2.535 -4.527 105 HE1 TYR 11 1HE TYR 11 0.846 -4.735 -8.707 106 HE2 TYR 11 2HE TYR 11 0.197 -1.183 -6.425 107 HH TYR 11 HH TYR 11 0.536 -2.431 -9.554 108 HA PRO 12 HA PRO 12 -3.966 -6.942 -0.832 109 HB2 PRO 12 2HB PRO 12 -5.675 -8.933 -1.362 110 HB3 PRO 12 1HB PRO 12 -6.089 -7.252 -1.707 111 HG2 PRO 12 2HG PRO 12 -5.113 -9.375 -3.579 112 HG3 PRO 12 1HG PRO 12 -6.410 -8.191 -3.818 113 HD2 PRO 12 2HD PRO 12 -3.882 -7.894 -4.816 114 HD3 PRO 12 1HD PRO 12 -4.942 -6.528 -4.417 115 H ASN 13 H ASN 13 -2.412 -8.899 -3.100 116 HA ASN 13 HA ASN 13 -1.811 -10.997 -1.117 117 HB2 ASN 13 2HB ASN 13 -1.482 -11.009 -4.133 118 HB3 ASN 13 1HB ASN 13 -0.981 -12.322 -3.078 119 HD21 ASN 13 1HD2 ASN 13 -2.561 -13.620 -2.142 120 HD22 ASN 13 2HD2 ASN 13 -4.208 -13.602 -2.657 121 H CYS 14 H CYS 14 -0.650 -8.258 -1.370 122 HA CYS 14 HA CYS 14 2.153 -9.073 -1.617 123 HB2 CYS 14 2HB CYS 14 1.000 -6.456 -2.561 124 HB3 CYS 14 1HB CYS 14 2.681 -6.951 -2.652 125 H GLU 15 H GLU 15 3.562 -7.515 -0.539 126 HA GLU 15 HA GLU 15 2.445 -6.787 2.040 127 HB2 GLU 15 2HB GLU 15 5.278 -6.903 1.004 128 HB3 GLU 15 1HB GLU 15 4.854 -6.361 2.621 129 HG2 GLU 15 2HG GLU 15 4.221 -9.081 1.512 130 HG3 GLU 15 1HG GLU 15 5.619 -8.707 2.522 131 H VAL 16 H VAL 16 1.465 -4.903 1.967 132 HA VAL 16 HA VAL 16 2.680 -2.709 0.500 133 HB VAL 16 HB VAL 16 -0.057 -2.893 1.810 134 HG11 VAL 16 1HG1 VAL 16 1.086 -0.782 -0.024 135 HG12 VAL 16 2HG1 VAL 16 0.763 -0.592 1.700 136 HG13 VAL 16 3HG1 VAL 16 -0.574 -0.839 0.576 137 HG21 VAL 16 1HG2 VAL 16 -0.914 -3.025 -0.496 138 HG22 VAL 16 2HG2 VAL 16 0.130 -4.392 -0.099 139 HG23 VAL 16 3HG2 VAL 16 0.743 -3.072 -1.090 140 H ARG 17 H ARG 17 4.127 -1.742 1.625 141 HA ARG 17 HA ARG 17 3.784 -1.327 4.489 142 HB2 ARG 17 2HB ARG 17 6.203 -1.239 2.693 143 HB3 ARG 17 1HB ARG 17 6.248 -0.784 4.382 144 HG2 ARG 17 2HG ARG 17 5.501 -3.526 3.352 145 HG3 ARG 17 1HG ARG 17 7.097 -3.064 3.939 146 HD2 ARG 17 2HD ARG 17 6.005 -4.208 5.718 147 HD3 ARG 17 1HD ARG 17 6.028 -2.506 6.145 148 HE ARG 17 HE ARG 17 3.667 -3.984 5.161 149 HH11 ARG 17 1HH1 ARG 17 5.017 -1.258 6.977 150 HH12 ARG 17 2HH1 ARG 17 3.584 -0.913 7.810 151 HH21 ARG 17 1HH2 ARG 17 1.658 -3.479 6.316 152 HH22 ARG 17 2HH2 ARG 17 1.626 -2.176 7.409 153 H CYS 18 H CYS 18 3.753 0.748 5.288 154 HA CYS 18 HA CYS 18 3.721 2.903 3.309 155 HB2 CYS 18 2HB CYS 18 1.528 2.463 5.336 156 HB3 CYS 18 1HB CYS 18 1.565 3.640 4.028 157 H ASP 19 H ASP 19 4.901 4.520 4.103 158 HA ASP 19 HA ASP 19 4.804 5.056 6.976 159 HB2 ASP 19 2HB ASP 19 7.367 5.035 5.355 160 HB3 ASP 19 1HB ASP 19 7.226 5.688 6.975 161 HA DPR 20 HA DPR 20 4.578 9.362 5.961 162 HB2 DPR 20 1HB DPR 20 1.657 8.824 5.650 163 HB3 DPR 20 2HB DPR 20 2.477 10.027 6.660 164 HG2 DPR 20 1HG DPR 20 1.522 7.913 7.888 165 HG3 DPR 20 2HG DPR 20 3.246 8.395 8.125 166 HD2 DPR 20 1HD DPR 20 2.245 6.293 6.255 167 HD3 DPR 20 2HD DPR 20 3.366 6.134 7.628 168 HA PRO 21 HA PRO 21 3.591 9.879 1.634 169 HB2 PRO 21 2HB PRO 21 5.900 10.948 0.860 170 HB3 PRO 21 1HB PRO 21 4.816 11.842 1.935 171 HG2 PRO 21 2HG PRO 21 7.299 10.323 2.600 172 HG3 PRO 21 1HG PRO 21 6.748 11.891 3.216 173 HD2 PRO 21 2HD PRO 21 6.431 9.478 4.530 174 HD3 PRO 21 1HD PRO 21 5.449 10.925 4.816 175 H ARG 22 H ARG 22 5.518 7.588 3.048 176 HA ARG 22 HA ARG 22 6.631 6.686 0.481 177 HB2 ARG 22 2HB ARG 22 7.199 5.634 3.240 178 HB3 ARG 22 1HB ARG 22 7.932 5.038 1.770 179 HG2 ARG 22 2HG ARG 22 8.822 7.420 1.478 180 HG3 ARG 22 1HG ARG 22 8.366 7.649 3.170 181 HD2 ARG 22 2HD ARG 22 10.329 5.667 2.027 182 HD3 ARG 22 1HD ARG 22 10.651 6.976 3.160 183 HE ARG 22 HE ARG 22 8.782 5.267 4.298 184 HH11 ARG 22 1HH1 ARG 22 12.218 5.255 3.462 185 HH12 ARG 22 2HH1 ARG 22 12.617 4.008 4.562 186 HH21 ARG 22 1HH2 ARG 22 9.357 3.490 5.782 187 HH22 ARG 22 2HH2 ARG 22 11.002 3.039 5.888 188 H TYR 23 H TYR 23 5.842 5.029 -0.553 189 HA TYR 23 HA TYR 23 4.044 3.210 0.844 190 HB2 TYR 23 2HB TYR 23 3.526 4.419 -1.893 191 HB3 TYR 23 1HB TYR 23 2.526 3.235 -1.069 192 HD1 TYR 23 1HD TYR 23 2.913 6.629 -1.774 193 HD2 TYR 23 2HD TYR 23 1.673 3.995 1.299 194 HE1 TYR 23 1HE TYR 23 1.629 8.457 -0.743 195 HE2 TYR 23 2HE TYR 23 0.383 5.800 2.344 196 HH TYR 23 HH TYR 23 0.391 8.272 2.387 197 H GLU 24 H GLU 24 5.071 1.335 0.699 198 HA GLU 24 HA GLU 24 6.480 0.710 -1.793 199 HB2 GLU 24 2HB GLU 24 8.081 1.085 -0.004 200 HB3 GLU 24 1HB GLU 24 7.220 -0.033 1.040 201 HG2 GLU 24 2HG GLU 24 7.768 -1.868 -0.483 202 HG3 GLU 24 1HG GLU 24 8.643 -0.741 -1.514 203 H VAL 25 H VAL 25 5.769 -1.070 -2.771 204 HA VAL 25 HA VAL 25 4.309 -2.970 -1.140 205 HB VAL 25 HB VAL 25 2.635 -1.803 -2.430 206 HG11 VAL 25 1HG1 VAL 25 2.627 -1.762 -4.885 207 HG12 VAL 25 2HG1 VAL 25 4.238 -2.485 -4.887 208 HG13 VAL 25 3HG1 VAL 25 3.994 -0.880 -4.204 209 HG21 VAL 25 1HG2 VAL 25 2.293 -4.192 -2.156 210 HG22 VAL 25 2HG2 VAL 25 3.185 -4.504 -3.643 211 HG23 VAL 25 3HG2 VAL 25 1.645 -3.649 -3.704 212 H HIS 26 H HIS 26 5.102 -4.879 -1.139 213 HA HIS 26 HA HIS 26 6.930 -5.629 -3.309 214 HB2 HIS 26 2HB HIS 26 8.012 -5.486 -1.075 215 HB3 HIS 26 1HB HIS 26 6.876 -6.684 -0.464 216 HD1 HIS 26 1HD HIS 26 7.315 -9.177 -1.107 217 HD2 HIS 26 2HD HIS 26 9.997 -6.473 -2.777 218 HE1 HIS 26 1HE HIS 26 9.153 -10.561 -2.139 219 H CYS 27 H CYS 27 6.136 -7.063 -4.637 220 HA CYS 27 HA CYS 27 4.104 -8.913 -3.667 221 HB2 CYS 27 2HB CYS 27 4.730 -7.944 -6.457 222 HB3 CYS 27 1HB CYS 27 3.573 -9.229 -6.106 Start of MODEL 16 1 H1 ASN 1 1HT ASN 1 -9.955 9.569 2.491 2 H2 ASN 1 2HT ASN 1 -8.495 10.255 3.033 3 H3 ASN 1 3HT ASN 1 -8.769 8.616 3.213 4 HA ASN 1 HA ASN 1 -8.752 8.282 0.865 5 HB2 ASN 1 2HB ASN 1 -9.617 10.504 0.210 6 HB3 ASN 1 1HB ASN 1 -8.117 11.244 0.755 7 HD21 ASN 1 1HD2 ASN 1 -9.650 9.384 -1.748 8 HD22 ASN 1 2HD2 ASN 1 -8.328 9.450 -2.849 9 H ASP 2 H ASP 2 -6.997 7.084 0.820 10 HA ASP 2 HA ASP 2 -4.397 8.316 1.433 11 HB2 ASP 2 2HB ASP 2 -5.390 5.615 2.381 12 HB3 ASP 2 1HB ASP 2 -3.712 6.120 2.421 13 H LYS 3 H LYS 3 -2.900 7.844 -0.090 14 HA LYS 3 HA LYS 3 -3.491 6.228 -2.365 15 HB2 LYS 3 2HB LYS 3 -0.775 7.056 -1.288 16 HB3 LYS 3 1HB LYS 3 -1.091 6.427 -2.892 17 HG2 LYS 3 2HG LYS 3 -2.425 8.438 -3.382 18 HG3 LYS 3 1HG LYS 3 -2.011 9.067 -1.783 19 HD2 LYS 3 2HD LYS 3 0.384 8.922 -2.376 20 HD3 LYS 3 1HD LYS 3 -0.068 8.370 -3.987 21 HE2 LYS 3 2HE LYS 3 -0.777 11.027 -2.754 22 HE3 LYS 3 1HE LYS 3 0.472 10.755 -3.962 23 HZ1 LYS 3 1HZ LYS 3 -2.440 10.308 -4.350 24 HZ2 LYS 3 2HZ LYS 3 -1.255 10.051 -5.516 25 HZ3 LYS 3 3HZ LYS 3 -1.557 11.607 -4.946 26 H CYS 4 H CYS 4 -1.932 5.873 0.665 27 HA CYS 4 HA CYS 4 -0.668 3.455 0.619 28 HB2 CYS 4 2HB CYS 4 -0.626 4.957 2.530 29 HB3 CYS 4 1HB CYS 4 -2.333 4.665 2.831 30 H LYS 5 H LYS 5 -4.102 3.986 1.469 31 HA LYS 5 HA LYS 5 -4.624 1.203 1.689 32 HB2 LYS 5 2HB LYS 5 -6.473 3.574 1.592 33 HB3 LYS 5 1HB LYS 5 -7.034 1.923 1.803 34 HG2 LYS 5 2HG LYS 5 -5.667 1.764 3.867 35 HG3 LYS 5 1HG LYS 5 -5.207 3.452 3.656 36 HD2 LYS 5 2HD LYS 5 -7.021 3.268 5.270 37 HD3 LYS 5 1HD LYS 5 -7.576 4.105 3.823 38 HE2 LYS 5 2HE LYS 5 -9.258 2.514 4.608 39 HE3 LYS 5 1HE LYS 5 -8.648 2.031 3.034 40 HZ1 LYS 5 1HZ LYS 5 -7.823 0.853 5.649 41 HZ2 LYS 5 2HZ LYS 5 -7.230 0.387 4.150 42 HZ3 LYS 5 3HZ LYS 5 -8.844 0.142 4.515 43 H GLU 6 H GLU 6 -4.808 3.507 -0.906 44 HA GLU 6 HA GLU 6 -6.502 1.942 -2.530 45 HB2 GLU 6 2HB GLU 6 -6.196 4.377 -2.817 46 HB3 GLU 6 1HB GLU 6 -4.530 4.092 -3.301 47 HG2 GLU 6 2HG GLU 6 -5.271 2.850 -5.219 48 HG3 GLU 6 1HG GLU 6 -6.953 3.056 -4.722 49 H LEU 7 H LEU 7 -2.990 2.368 -2.281 50 HA LEU 7 HA LEU 7 -2.339 0.528 -4.324 51 HB2 LEU 7 2HB LEU 7 -0.709 1.428 -1.957 52 HB3 LEU 7 1HB LEU 7 -0.084 0.484 -3.291 53 HG LEU 7 HG LEU 7 -1.106 3.318 -3.412 54 HD11 LEU 7 1HD1 LEU 7 1.206 3.843 -3.994 55 HD12 LEU 7 2HD1 LEU 7 1.633 2.144 -3.779 56 HD13 LEU 7 3HD1 LEU 7 1.084 3.095 -2.400 57 HD21 LEU 7 1HD2 LEU 7 -0.333 3.246 -5.770 58 HD22 LEU 7 2HD2 LEU 7 -1.713 2.215 -5.446 59 HD23 LEU 7 3HD2 LEU 7 -0.105 1.502 -5.604 60 H LYS 8 H LYS 8 -2.860 0.171 -0.865 61 HA LYS 8 HA LYS 8 -2.030 -2.506 -0.669 62 HB2 LYS 8 2HB LYS 8 -2.412 -0.983 1.265 63 HB3 LYS 8 1HB LYS 8 -4.138 -1.083 0.970 64 HG2 LYS 8 2HG LYS 8 -4.137 -3.440 1.493 65 HG3 LYS 8 1HG LYS 8 -2.380 -3.428 1.665 66 HD2 LYS 8 2HD LYS 8 -2.608 -1.816 3.517 67 HD3 LYS 8 1HD LYS 8 -4.361 -1.926 3.374 68 HE2 LYS 8 2HE LYS 8 -4.305 -4.261 3.961 69 HE3 LYS 8 1HE LYS 8 -2.542 -4.261 3.945 70 HZ1 LYS 8 1HZ LYS 8 -3.382 -4.108 6.201 71 HZ2 LYS 8 2HZ LYS 8 -4.252 -2.719 5.824 72 HZ3 LYS 8 3HZ LYS 8 -2.574 -2.694 5.785 73 H LYS 9 H LYS 9 -4.970 -1.052 -1.779 74 HA LYS 9 HA LYS 9 -6.404 -3.540 -1.913 75 HB2 LYS 9 2HB LYS 9 -7.523 -1.318 -1.614 76 HB3 LYS 9 1HB LYS 9 -7.023 -0.905 -3.247 77 HG2 LYS 9 2HG LYS 9 -8.328 -2.838 -4.089 78 HG3 LYS 9 1HG LYS 9 -8.905 -3.120 -2.449 79 HD2 LYS 9 2HD LYS 9 -10.580 -1.892 -3.671 80 HD3 LYS 9 1HD LYS 9 -9.872 -0.830 -2.454 81 HE2 LYS 9 2HE LYS 9 -8.469 0.217 -4.143 82 HE3 LYS 9 1HE LYS 9 -9.073 -0.900 -5.365 83 HZ1 LYS 9 1HZ LYS 9 -10.654 1.145 -3.916 84 HZ2 LYS 9 2HZ LYS 9 -11.283 0.070 -5.058 85 HZ3 LYS 9 3HZ LYS 9 -10.145 1.227 -5.511 86 H ARG 10 H ARG 10 -4.535 -1.467 -4.095 87 HA ARG 10 HA ARG 10 -5.138 -2.774 -6.519 88 HB2 ARG 10 2HB ARG 10 -2.605 -1.333 -5.744 89 HB3 ARG 10 1HB ARG 10 -3.015 -1.830 -7.373 90 HG2 ARG 10 2HG ARG 10 -4.997 -0.297 -7.232 91 HG3 ARG 10 1HG ARG 10 -4.352 0.271 -5.690 92 HD2 ARG 10 2HD ARG 10 -2.202 0.792 -6.879 93 HD3 ARG 10 1HD ARG 10 -3.025 0.430 -8.387 94 HE ARG 10 HE ARG 10 -4.392 2.390 -6.818 95 HH11 ARG 10 1HH1 ARG 10 -1.851 1.928 -9.225 96 HH12 ARG 10 2HH1 ARG 10 -1.832 3.538 -9.743 97 HH21 ARG 10 1HH2 ARG 10 -4.327 4.653 -7.489 98 HH22 ARG 10 2HH2 ARG 10 -3.290 5.113 -8.763 99 H TYR 11 H TYR 11 -2.766 -3.403 -4.033 100 HA TYR 11 HA TYR 11 -1.941 -5.834 -5.472 101 HB2 TYR 11 2HB TYR 11 -0.408 -4.342 -3.326 102 HB3 TYR 11 1HB TYR 11 0.128 -5.757 -4.214 103 HD1 TYR 11 1HD TYR 11 0.988 -5.546 -6.485 104 HD2 TYR 11 2HD TYR 11 -0.380 -2.130 -4.341 105 HE1 TYR 11 1HE TYR 11 2.115 -4.089 -8.090 106 HE2 TYR 11 2HE TYR 11 0.729 -0.670 -5.939 107 HH TYR 11 HH TYR 11 1.929 -1.784 -8.897 108 HA PRO 12 HA PRO 12 -4.349 -7.143 -1.717 109 HB2 PRO 12 2HB PRO 12 -5.047 -9.469 -3.367 110 HB3 PRO 12 1HB PRO 12 -6.116 -8.309 -2.579 111 HG2 PRO 12 2HG PRO 12 -5.824 -8.375 -5.254 112 HG3 PRO 12 1HG PRO 12 -6.080 -6.856 -4.377 113 HD2 PRO 12 2HD PRO 12 -3.532 -8.016 -5.443 114 HD3 PRO 12 1HD PRO 12 -4.123 -6.340 -5.507 115 H ASN 13 H ASN 13 -2.235 -8.876 -3.808 116 HA ASN 13 HA ASN 13 -1.711 -10.961 -1.810 117 HB2 ASN 13 2HB ASN 13 -0.895 -10.795 -4.723 118 HB3 ASN 13 1HB ASN 13 -0.537 -12.138 -3.648 119 HD21 ASN 13 1HD2 ASN 13 -2.086 -12.067 -6.153 120 HD22 ASN 13 2HD2 ASN 13 -3.644 -12.663 -5.768 121 H CYS 14 H CYS 14 -0.676 -8.072 -1.931 122 HA CYS 14 HA CYS 14 2.132 -8.802 -1.530 123 HB2 CYS 14 2HB CYS 14 1.206 -6.196 -2.724 124 HB3 CYS 14 1HB CYS 14 2.851 -6.744 -2.508 125 H GLU 15 H GLU 15 3.199 -7.260 -0.108 126 HA GLU 15 HA GLU 15 1.316 -6.242 1.872 127 HB2 GLU 15 2HB GLU 15 4.285 -6.697 2.130 128 HB3 GLU 15 1HB GLU 15 3.187 -6.233 3.419 129 HG2 GLU 15 2HG GLU 15 1.976 -8.389 3.012 130 HG3 GLU 15 1HG GLU 15 3.313 -8.846 1.956 131 H VAL 16 H VAL 16 0.905 -4.181 1.687 132 HA VAL 16 HA VAL 16 2.935 -2.430 0.546 133 HB VAL 16 HB VAL 16 -0.029 -1.897 0.958 134 HG11 VAL 16 1HG1 VAL 16 0.338 0.103 -0.423 135 HG12 VAL 16 2HG1 VAL 16 2.064 -0.256 -0.479 136 HG13 VAL 16 3HG1 VAL 16 1.299 0.153 1.056 137 HG21 VAL 16 1HG2 VAL 16 0.318 -3.562 -0.778 138 HG22 VAL 16 2HG2 VAL 16 1.519 -2.530 -1.552 139 HG23 VAL 16 3HG2 VAL 16 -0.168 -2.030 -1.512 140 H ARG 17 H ARG 17 4.147 -1.661 2.019 141 HA ARG 17 HA ARG 17 3.058 -0.953 4.651 142 HB2 ARG 17 2HB ARG 17 5.919 -1.184 3.727 143 HB3 ARG 17 1HB ARG 17 5.392 -0.818 5.357 144 HG2 ARG 17 2HG ARG 17 4.302 -3.033 5.451 145 HG3 ARG 17 1HG ARG 17 4.980 -3.389 3.858 146 HD2 ARG 17 2HD ARG 17 6.533 -2.703 6.339 147 HD3 ARG 17 1HD ARG 17 6.360 -4.310 5.639 148 HE ARG 17 HE ARG 17 7.570 -3.470 3.686 149 HH11 ARG 17 1HH1 ARG 17 7.958 -1.687 6.741 150 HH12 ARG 17 2HH1 ARG 17 9.442 -1.001 6.298 151 HH21 ARG 17 1HH2 ARG 17 9.605 -2.559 3.126 152 HH22 ARG 17 2HH2 ARG 17 10.452 -1.555 4.211 153 H CYS 18 H CYS 18 2.890 1.143 5.182 154 HA CYS 18 HA CYS 18 3.788 3.020 3.126 155 HB2 CYS 18 2HB CYS 18 1.521 3.316 5.077 156 HB3 CYS 18 1HB CYS 18 1.915 4.390 3.734 157 H ASP 19 H ASP 19 5.416 4.210 3.684 158 HA ASP 19 HA ASP 19 5.521 5.248 6.399 159 HB2 ASP 19 2HB ASP 19 7.852 4.267 4.718 160 HB3 ASP 19 1HB ASP 19 8.065 5.321 6.106 161 HA DPR 20 HA DPR 20 6.063 9.308 4.622 162 HB2 DPR 20 1HB DPR 20 3.075 9.301 4.697 163 HB3 DPR 20 2HB DPR 20 4.210 10.495 5.345 164 HG2 DPR 20 1HG DPR 20 3.094 8.894 7.082 165 HG3 DPR 20 2HG DPR 20 4.891 9.047 7.028 166 HD2 DPR 20 1HD DPR 20 3.267 6.885 5.747 167 HD3 DPR 20 2HD DPR 20 4.521 6.751 7.005 168 HA PRO 21 HA PRO 21 4.447 9.270 0.437 169 HB2 PRO 21 2HB PRO 21 6.670 10.114 -0.785 170 HB3 PRO 21 1HB PRO 21 5.683 11.221 0.179 171 HG2 PRO 21 2HG PRO 21 8.251 9.872 0.883 172 HG3 PRO 21 1HG PRO 21 7.712 11.516 1.256 173 HD2 PRO 21 2HD PRO 21 7.605 9.374 3.008 174 HD3 PRO 21 1HD PRO 21 6.618 10.845 3.135 175 H ARG 22 H ARG 22 6.556 7.231 1.982 176 HA ARG 22 HA ARG 22 7.235 5.869 -0.508 177 HB2 ARG 22 2HB ARG 22 9.184 6.324 0.837 178 HB3 ARG 22 1HB ARG 22 8.456 5.542 2.232 179 HG2 ARG 22 2HG ARG 22 10.181 4.159 1.106 180 HG3 ARG 22 1HG ARG 22 8.597 3.388 1.173 181 HD2 ARG 22 2HD ARG 22 9.693 3.090 -1.023 182 HD3 ARG 22 1HD ARG 22 8.178 3.974 -1.152 183 HE ARG 22 HE ARG 22 10.339 5.739 -0.858 184 HH11 ARG 22 1HH1 ARG 22 8.873 3.608 -3.327 185 HH12 ARG 22 2HH1 ARG 22 9.421 4.549 -4.618 186 HH21 ARG 22 1HH2 ARG 22 11.073 7.002 -2.673 187 HH22 ARG 22 2HH2 ARG 22 10.671 6.513 -4.257 188 H TYR 23 H TYR 23 5.961 4.380 -1.107 189 HA TYR 23 HA TYR 23 4.633 2.776 0.935 190 HB2 TYR 23 2HB TYR 23 3.830 3.146 -1.968 191 HB3 TYR 23 1HB TYR 23 2.884 2.369 -0.696 192 HD1 TYR 23 1HD TYR 23 2.159 3.807 1.286 193 HD2 TYR 23 2HD TYR 23 3.620 5.464 -2.343 194 HE1 TYR 23 1HE TYR 23 1.227 5.989 1.906 195 HE2 TYR 23 2HE TYR 23 2.685 7.637 -1.743 196 HH TYR 23 HH TYR 23 1.668 8.296 1.402 197 H GLU 24 H GLU 24 5.683 1.037 1.238 198 HA GLU 24 HA GLU 24 7.415 -0.116 -0.791 199 HB2 GLU 24 2HB GLU 24 6.987 -0.631 2.131 200 HB3 GLU 24 1HB GLU 24 8.000 -1.658 1.129 201 HG2 GLU 24 2HG GLU 24 8.420 1.287 1.532 202 HG3 GLU 24 1HG GLU 24 9.215 0.001 2.446 203 H VAL 25 H VAL 25 6.415 -1.414 -2.117 204 HA VAL 25 HA VAL 25 4.399 -3.168 -0.977 205 HB VAL 25 HB VAL 25 3.376 -1.852 -2.690 206 HG11 VAL 25 1HG1 VAL 25 5.336 -1.190 -3.954 207 HG12 VAL 25 2HG1 VAL 25 4.143 -1.926 -5.049 208 HG13 VAL 25 3HG1 VAL 25 5.551 -2.854 -4.499 209 HG21 VAL 25 1HG2 VAL 25 2.647 -4.154 -2.571 210 HG22 VAL 25 2HG2 VAL 25 3.897 -4.632 -3.718 211 HG23 VAL 25 3HG2 VAL 25 2.580 -3.581 -4.237 212 H HIS 26 H HIS 26 5.024 -4.985 -0.515 213 HA HIS 26 HA HIS 26 7.296 -6.207 -1.907 214 HB2 HIS 26 2HB HIS 26 6.028 -6.819 0.753 215 HB3 HIS 26 1HB HIS 26 7.436 -7.647 0.083 216 HD1 HIS 26 1HD HIS 26 9.651 -6.695 0.817 217 HD2 HIS 26 2HD HIS 26 6.529 -4.004 1.310 218 HE1 HIS 26 1HE HIS 26 10.629 -4.728 2.045 219 H CYS 27 H CYS 27 6.648 -7.592 -3.435 220 HA CYS 27 HA CYS 27 4.197 -9.099 -2.970 221 HB2 CYS 27 2HB CYS 27 5.623 -8.456 -5.560 222 HB3 CYS 27 1HB CYS 27 4.205 -9.492 -5.434 Start of MODEL 17 1 H1 ASN 1 1HT ASN 1 -6.721 11.458 1.979 2 H2 ASN 1 2HT ASN 1 -6.271 9.987 2.681 3 H3 ASN 1 3HT ASN 1 -6.302 10.178 0.987 4 HA ASN 1 HA ASN 1 -4.554 11.718 0.996 5 HB2 ASN 1 2HB ASN 1 -4.518 11.436 4.023 6 HB3 ASN 1 1HB ASN 1 -3.433 12.410 3.052 7 HD21 ASN 1 1HD2 ASN 1 -3.994 14.283 4.129 8 HD22 ASN 1 2HD2 ASN 1 -5.517 15.048 3.901 9 H ASP 2 H ASP 2 -5.092 8.669 1.162 10 HA ASP 2 HA ASP 2 -2.342 7.878 1.812 11 HB2 ASP 2 2HB ASP 2 -4.893 6.461 2.564 12 HB3 ASP 2 1HB ASP 2 -3.345 5.644 2.474 13 H LYS 3 H LYS 3 -1.428 6.990 0.097 14 HA LYS 3 HA LYS 3 -3.025 6.031 -2.103 15 HB2 LYS 3 2HB LYS 3 -0.047 5.775 -1.623 16 HB3 LYS 3 1HB LYS 3 -0.870 5.426 -3.135 17 HG2 LYS 3 2HG LYS 3 -1.521 7.783 -3.315 18 HG3 LYS 3 1HG LYS 3 -0.680 8.116 -1.802 19 HD2 LYS 3 2HD LYS 3 1.426 7.343 -2.811 20 HD3 LYS 3 1HD LYS 3 0.578 7.061 -4.332 21 HE2 LYS 3 2HE LYS 3 0.056 9.413 -4.510 22 HE3 LYS 3 1HE LYS 3 0.802 9.727 -2.941 23 HZ1 LYS 3 1HZ LYS 3 2.201 8.722 -5.359 24 HZ2 LYS 3 2HZ LYS 3 2.929 9.082 -3.877 25 HZ3 LYS 3 3HZ LYS 3 2.228 10.300 -4.789 26 H CYS 4 H CYS 4 -1.806 4.790 0.832 27 HA CYS 4 HA CYS 4 -1.213 2.184 0.588 28 HB2 CYS 4 2HB CYS 4 -2.920 3.656 2.528 29 HB3 CYS 4 1HB CYS 4 -2.317 2.025 2.829 30 H LYS 5 H LYS 5 -4.360 3.656 0.896 31 HA LYS 5 HA LYS 5 -6.003 1.435 0.996 32 HB2 LYS 5 2HB LYS 5 -6.639 4.118 -0.208 33 HB3 LYS 5 1HB LYS 5 -7.808 2.938 0.371 34 HG2 LYS 5 2HG LYS 5 -6.915 3.189 2.644 35 HG3 LYS 5 1HG LYS 5 -5.770 4.387 2.050 36 HD2 LYS 5 2HD LYS 5 -7.638 5.799 1.332 37 HD3 LYS 5 1HD LYS 5 -8.777 4.610 1.964 38 HE2 LYS 5 2HE LYS 5 -6.734 6.158 3.566 39 HE3 LYS 5 1HE LYS 5 -8.465 6.458 3.527 40 HZ1 LYS 5 1HZ LYS 5 -7.133 4.026 4.578 41 HZ2 LYS 5 2HZ LYS 5 -8.800 4.237 4.502 42 HZ3 LYS 5 3HZ LYS 5 -7.864 5.243 5.479 43 H GLU 6 H GLU 6 -4.714 3.100 -1.832 44 HA GLU 6 HA GLU 6 -6.340 1.576 -3.601 45 HB2 GLU 6 2HB GLU 6 -5.808 3.856 -4.165 46 HB3 GLU 6 1HB GLU 6 -4.087 3.511 -4.096 47 HG2 GLU 6 2HG GLU 6 -4.200 2.166 -6.025 48 HG3 GLU 6 1HG GLU 6 -5.968 2.194 -6.013 49 H LEU 7 H LEU 7 -2.820 1.671 -2.829 50 HA LEU 7 HA LEU 7 -2.210 -0.515 -4.435 51 HB2 LEU 7 2HB LEU 7 -0.812 0.618 -2.031 52 HB3 LEU 7 1HB LEU 7 -0.206 -0.796 -2.865 53 HG LEU 7 HG LEU 7 -0.197 0.638 -4.949 54 HD11 LEU 7 1HD1 LEU 7 -1.562 2.407 -4.291 55 HD12 LEU 7 2HD1 LEU 7 0.051 3.018 -4.683 56 HD13 LEU 7 3HD1 LEU 7 -0.455 2.861 -2.994 57 HD21 LEU 7 1HD2 LEU 7 1.985 1.650 -4.410 58 HD22 LEU 7 2HD2 LEU 7 1.851 -0.022 -3.870 59 HD23 LEU 7 3HD2 LEU 7 1.699 1.295 -2.705 60 H LYS 8 H LYS 8 -3.482 -0.463 -1.174 61 HA LYS 8 HA LYS 8 -3.007 -3.254 -0.701 62 HB2 LYS 8 2HB LYS 8 -3.373 -1.432 1.052 63 HB3 LYS 8 1HB LYS 8 -5.076 -1.501 0.637 64 HG2 LYS 8 2HG LYS 8 -5.169 -3.828 1.352 65 HG3 LYS 8 1HG LYS 8 -3.446 -3.789 1.726 66 HD2 LYS 8 2HD LYS 8 -3.890 -1.948 3.342 67 HD3 LYS 8 1HD LYS 8 -5.615 -2.149 3.039 68 HE2 LYS 8 2HE LYS 8 -3.766 -4.271 4.136 69 HE3 LYS 8 1HE LYS 8 -4.869 -3.290 5.090 70 HZ1 LYS 8 1HZ LYS 8 -6.723 -4.280 3.913 71 HZ2 LYS 8 2HZ LYS 8 -5.771 -5.492 4.604 72 HZ3 LYS 8 3HZ LYS 8 -5.680 -5.189 2.956 73 H LYS 9 H LYS 9 -5.421 -1.419 -2.302 74 HA LYS 9 HA LYS 9 -7.342 -3.552 -2.453 75 HB2 LYS 9 2HB LYS 9 -8.043 -1.186 -2.525 76 HB3 LYS 9 1HB LYS 9 -7.100 -0.945 -3.983 77 HG2 LYS 9 2HG LYS 9 -8.567 -2.531 -5.164 78 HG3 LYS 9 1HG LYS 9 -9.523 -2.700 -3.694 79 HD2 LYS 9 2HD LYS 9 -10.110 -0.358 -3.743 80 HD3 LYS 9 1HD LYS 9 -9.064 -0.091 -5.136 81 HE2 LYS 9 2HE LYS 9 -11.352 -0.236 -5.882 82 HE3 LYS 9 1HE LYS 9 -10.478 -1.649 -6.445 83 HZ1 LYS 9 1HZ LYS 9 -12.355 -1.536 -4.148 84 HZ2 LYS 9 2HZ LYS 9 -11.445 -2.894 -4.563 85 HZ3 LYS 9 3HZ LYS 9 -12.597 -2.304 -5.630 86 H ARG 10 H ARG 10 -4.965 -2.031 -4.567 87 HA ARG 10 HA ARG 10 -5.357 -3.661 -6.843 88 HB2 ARG 10 2HB ARG 10 -2.966 -2.090 -5.926 89 HB3 ARG 10 1HB ARG 10 -3.029 -2.894 -7.470 90 HG2 ARG 10 2HG ARG 10 -4.957 -1.457 -8.078 91 HG3 ARG 10 1HG ARG 10 -4.761 -0.615 -6.533 92 HD2 ARG 10 2HD ARG 10 -2.484 -0.016 -7.127 93 HD3 ARG 10 1HD ARG 10 -2.635 -0.886 -8.646 94 HE ARG 10 HE ARG 10 -4.529 1.249 -8.188 95 HH11 ARG 10 1HH1 ARG 10 -1.563 0.175 -9.797 96 HH12 ARG 10 2HH1 ARG 10 -1.408 1.541 -10.794 97 HH21 ARG 10 1HH2 ARG 10 -4.368 3.134 -9.592 98 HH22 ARG 10 2HH2 ARG 10 -3.078 3.274 -10.683 99 H TYR 11 H TYR 11 -3.042 -3.853 -4.144 100 HA TYR 11 HA TYR 11 -2.238 -6.503 -5.100 101 HB2 TYR 11 2HB TYR 11 -0.614 -4.627 -3.372 102 HB3 TYR 11 1HB TYR 11 -0.080 -6.120 -4.114 103 HD1 TYR 11 1HD TYR 11 0.480 -6.169 -6.513 104 HD2 TYR 11 2HD TYR 11 -0.680 -2.535 -4.604 105 HE1 TYR 11 1HE TYR 11 1.414 -4.885 -8.374 106 HE2 TYR 11 2HE TYR 11 0.241 -1.253 -6.454 107 HH TYR 11 HH TYR 11 1.907 -1.503 -8.207 108 HA PRO 12 HA PRO 12 -4.131 -6.930 -0.856 109 HB2 PRO 12 2HB PRO 12 -5.528 -9.263 -1.875 110 HB3 PRO 12 1HB PRO 12 -6.216 -7.761 -1.256 111 HG2 PRO 12 2HG PRO 12 -6.376 -8.481 -3.868 112 HG3 PRO 12 1HG PRO 12 -6.292 -6.790 -3.344 113 HD2 PRO 12 2HD PRO 12 -4.098 -8.559 -4.370 114 HD3 PRO 12 1HD PRO 12 -4.476 -6.873 -4.798 115 H ASN 13 H ASN 13 -2.378 -8.971 -2.949 116 HA ASN 13 HA ASN 13 -1.993 -10.997 -0.867 117 HB2 ASN 13 2HB ASN 13 -1.218 -11.129 -3.801 118 HB3 ASN 13 1HB ASN 13 -1.008 -12.415 -2.631 119 HD21 ASN 13 1HD2 ASN 13 -2.514 -12.384 -5.117 120 HD22 ASN 13 2HD2 ASN 13 -4.132 -12.803 -4.710 121 H CYS 14 H CYS 14 -0.579 -8.276 -2.106 122 HA CYS 14 HA CYS 14 2.120 -9.124 -1.365 123 HB2 CYS 14 2HB CYS 14 1.143 -6.585 -2.680 124 HB3 CYS 14 1HB CYS 14 2.798 -6.870 -2.199 125 H GLU 15 H GLU 15 3.333 -7.280 -0.175 126 HA GLU 15 HA GLU 15 1.666 -6.596 2.125 127 HB2 GLU 15 2HB GLU 15 4.646 -6.963 1.857 128 HB3 GLU 15 1HB GLU 15 3.860 -6.390 3.323 129 HG2 GLU 15 2HG GLU 15 3.433 -9.051 1.988 130 HG3 GLU 15 1HG GLU 15 4.387 -8.759 3.444 131 H VAL 16 H VAL 16 0.865 -4.636 1.754 132 HA VAL 16 HA VAL 16 2.391 -2.630 0.404 133 HB VAL 16 HB VAL 16 -0.321 -2.415 1.740 134 HG11 VAL 16 1HG1 VAL 16 1.044 -0.547 -0.208 135 HG12 VAL 16 2HG1 VAL 16 0.756 -0.227 1.502 136 HG13 VAL 16 3HG1 VAL 16 -0.607 -0.380 0.392 137 HG21 VAL 16 1HG2 VAL 16 0.449 -2.883 -1.134 138 HG22 VAL 16 2HG2 VAL 16 -1.174 -2.522 -0.574 139 HG23 VAL 16 3HG2 VAL 16 -0.380 -4.018 -0.064 140 H ARG 17 H ARG 17 3.946 -1.662 1.414 141 HA ARG 17 HA ARG 17 3.710 -1.075 4.241 142 HB2 ARG 17 2HB ARG 17 5.969 -0.974 2.293 143 HB3 ARG 17 1HB ARG 17 6.076 -0.274 3.897 144 HG2 ARG 17 2HG ARG 17 5.585 -2.503 4.838 145 HG3 ARG 17 1HG ARG 17 5.622 -3.160 3.196 146 HD2 ARG 17 2HD ARG 17 7.760 -3.419 4.393 147 HD3 ARG 17 1HD ARG 17 7.894 -2.448 2.919 148 HE ARG 17 HE ARG 17 7.545 -0.563 4.757 149 HH11 ARG 17 1HH1 ARG 17 9.673 -3.376 4.851 150 HH12 ARG 17 2HH1 ARG 17 10.867 -2.598 5.771 151 HH21 ARG 17 1HH2 ARG 17 9.196 0.533 5.874 152 HH22 ARG 17 2HH2 ARG 17 10.616 -0.293 6.345 153 H CYS 18 H CYS 18 3.482 0.887 4.975 154 HA CYS 18 HA CYS 18 3.582 3.073 3.052 155 HB2 CYS 18 2HB CYS 18 1.683 2.704 5.378 156 HB3 CYS 18 1HB CYS 18 1.770 4.103 4.314 157 H ASP 19 H ASP 19 5.370 4.115 3.574 158 HA ASP 19 HA ASP 19 5.886 4.570 6.411 159 HB2 ASP 19 2HB ASP 19 7.895 4.232 4.158 160 HB3 ASP 19 1HB ASP 19 8.338 4.878 5.726 161 HA DPR 20 HA DPR 20 5.791 8.983 5.606 162 HB2 DPR 20 1HB DPR 20 2.880 8.443 6.094 163 HB3 DPR 20 2HB DPR 20 3.903 9.725 6.754 164 HG2 DPR 20 1HG DPR 20 3.396 7.719 8.345 165 HG3 DPR 20 2HG DPR 20 5.108 8.198 8.041 166 HD2 DPR 20 1HD DPR 20 3.623 5.951 6.738 167 HD3 DPR 20 2HD DPR 20 5.148 5.923 7.656 168 HA PRO 21 HA PRO 21 3.511 9.385 1.729 169 HB2 PRO 21 2HB PRO 21 5.289 10.924 0.451 170 HB3 PRO 21 1HB PRO 21 4.280 11.584 1.742 171 HG2 PRO 21 2HG PRO 21 7.143 10.770 1.802 172 HG3 PRO 21 1HG PRO 21 6.342 12.119 2.626 173 HD2 PRO 21 2HD PRO 21 6.997 9.662 3.781 174 HD3 PRO 21 1HD PRO 21 5.834 10.832 4.431 175 H ARG 22 H ARG 22 6.014 7.490 2.549 176 HA ARG 22 HA ARG 22 6.822 6.761 -0.183 177 HB2 ARG 22 2HB ARG 22 8.583 6.887 1.569 178 HB3 ARG 22 1HB ARG 22 7.741 5.644 2.480 179 HG2 ARG 22 2HG ARG 22 8.031 4.208 0.348 180 HG3 ARG 22 1HG ARG 22 9.256 5.393 -0.095 181 HD2 ARG 22 2HD ARG 22 9.185 3.674 2.377 182 HD3 ARG 22 1HD ARG 22 10.310 3.541 1.033 183 HE ARG 22 HE ARG 22 10.832 5.993 1.843 184 HH11 ARG 22 1HH1 ARG 22 10.432 3.020 3.724 185 HH12 ARG 22 2HH1 ARG 22 11.352 3.560 5.045 186 HH21 ARG 22 1HH2 ARG 22 12.114 6.743 3.684 187 HH22 ARG 22 2HH2 ARG 22 12.322 5.720 5.019 188 H TYR 23 H TYR 23 5.392 5.439 -1.134 189 HA TYR 23 HA TYR 23 4.135 3.408 0.543 190 HB2 TYR 23 2HB TYR 23 3.261 4.485 -2.152 191 HB3 TYR 23 1HB TYR 23 2.400 3.268 -1.212 192 HD1 TYR 23 1HD TYR 23 3.245 6.831 -1.460 193 HD2 TYR 23 2HD TYR 23 1.150 3.899 0.797 194 HE1 TYR 23 1HE TYR 23 2.049 8.603 -0.281 195 HE2 TYR 23 2HE TYR 23 -0.050 5.640 1.974 196 HH TYR 23 HH TYR 23 0.306 8.065 2.530 197 H GLU 24 H GLU 24 5.105 1.570 0.461 198 HA GLU 24 HA GLU 24 6.494 0.756 -1.998 199 HB2 GLU 24 2HB GLU 24 8.097 1.336 -0.260 200 HB3 GLU 24 1HB GLU 24 7.259 0.325 0.899 201 HG2 GLU 24 2HG GLU 24 7.914 -1.667 -0.315 202 HG3 GLU 24 1HG GLU 24 8.675 -0.688 -1.566 203 H VAL 25 H VAL 25 5.280 -0.802 -2.876 204 HA VAL 25 HA VAL 25 3.950 -2.587 -1.042 205 HB VAL 25 HB VAL 25 2.442 -1.776 -2.714 206 HG11 VAL 25 1HG1 VAL 25 4.316 -2.892 -4.802 207 HG12 VAL 25 2HG1 VAL 25 4.009 -1.183 -4.489 208 HG13 VAL 25 3HG1 VAL 25 2.722 -2.210 -5.125 209 HG21 VAL 25 1HG2 VAL 25 3.160 -4.636 -3.289 210 HG22 VAL 25 2HG2 VAL 25 1.628 -3.864 -3.701 211 HG23 VAL 25 3HG2 VAL 25 2.095 -4.056 -2.010 212 H HIS 26 H HIS 26 4.940 -4.187 -0.363 213 HA HIS 26 HA HIS 26 7.264 -5.190 -1.684 214 HB2 HIS 26 2HB HIS 26 7.303 -4.800 0.705 215 HB3 HIS 26 1HB HIS 26 5.933 -5.859 0.944 216 HD1 HIS 26 1HD HIS 26 9.598 -5.811 0.805 217 HD2 HIS 26 2HD HIS 26 6.577 -8.652 0.590 218 HE1 HIS 26 1HE HIS 26 10.697 -8.019 1.287 219 H CYS 27 H CYS 27 6.837 -6.386 -3.349 220 HA CYS 27 HA CYS 27 5.221 -8.796 -2.971 221 HB2 CYS 27 2HB CYS 27 5.929 -7.404 -5.585 222 HB3 CYS 27 1HB CYS 27 4.959 -8.857 -5.427 Start of MODEL 18 1 H1 ASN 1 1HT ASN 1 -9.020 9.202 1.851 2 H2 ASN 1 2HT ASN 1 -9.859 10.407 1.042 3 H3 ASN 1 3HT ASN 1 -8.497 10.780 1.970 4 HA ASN 1 HA ASN 1 -8.439 9.070 -0.383 5 HB2 ASN 1 2HB ASN 1 -7.635 11.973 -0.090 6 HB3 ASN 1 1HB ASN 1 -7.133 10.960 -1.438 7 HD21 ASN 1 1HD2 ASN 1 -8.764 13.376 -1.448 8 HD22 ASN 1 2HD2 ASN 1 -10.268 12.915 -2.162 9 H ASP 2 H ASP 2 -7.096 7.596 0.187 10 HA ASP 2 HA ASP 2 -4.493 8.397 1.268 11 HB2 ASP 2 2HB ASP 2 -6.096 5.951 2.034 12 HB3 ASP 2 1HB ASP 2 -4.415 6.219 2.471 13 H LYS 3 H LYS 3 -2.965 7.825 -0.032 14 HA LYS 3 HA LYS 3 -3.440 6.262 -2.351 15 HB2 LYS 3 2HB LYS 3 -1.728 8.056 -2.219 16 HB3 LYS 3 1HB LYS 3 -0.810 7.067 -1.092 17 HG2 LYS 3 2HG LYS 3 -0.530 5.364 -2.814 18 HG3 LYS 3 1HG LYS 3 -1.449 6.362 -3.941 19 HD2 LYS 3 2HD LYS 3 0.227 8.123 -3.745 20 HD3 LYS 3 1HD LYS 3 1.148 7.121 -2.618 21 HE2 LYS 3 2HE LYS 3 1.396 5.422 -4.338 22 HE3 LYS 3 1HE LYS 3 0.484 6.422 -5.467 23 HZ1 LYS 3 1HZ LYS 3 3.099 7.051 -4.235 24 HZ2 LYS 3 2HZ LYS 3 2.240 8.118 -5.215 25 HZ3 LYS 3 3HZ LYS 3 2.810 6.651 -5.840 26 H CYS 4 H CYS 4 -2.103 5.699 0.773 27 HA CYS 4 HA CYS 4 -1.053 3.133 0.472 28 HB2 CYS 4 2HB CYS 4 -0.625 4.540 2.426 29 HB3 CYS 4 1HB CYS 4 -2.318 4.453 2.884 30 H LYS 5 H LYS 5 -4.409 4.219 1.020 31 HA LYS 5 HA LYS 5 -5.508 1.700 1.615 32 HB2 LYS 5 2HB LYS 5 -6.558 3.849 2.178 33 HB3 LYS 5 1HB LYS 5 -6.742 4.204 0.466 34 HG2 LYS 5 2HG LYS 5 -8.144 2.237 0.244 35 HG3 LYS 5 1HG LYS 5 -8.021 1.986 1.995 36 HD2 LYS 5 2HD LYS 5 -8.995 4.223 2.349 37 HD3 LYS 5 1HD LYS 5 -9.188 4.402 0.605 38 HE2 LYS 5 2HE LYS 5 -10.662 2.438 0.589 39 HE3 LYS 5 1HE LYS 5 -10.484 2.303 2.334 40 HZ1 LYS 5 1HZ LYS 5 -12.515 3.418 1.802 41 HZ2 LYS 5 2HZ LYS 5 -11.738 4.547 0.853 42 HZ3 LYS 5 3HZ LYS 5 -11.499 4.539 2.523 43 H GLU 6 H GLU 6 -5.278 3.685 -1.285 44 HA GLU 6 HA GLU 6 -6.599 1.945 -3.039 45 HB2 GLU 6 2HB GLU 6 -4.549 4.087 -3.544 46 HB3 GLU 6 1HB GLU 6 -5.465 3.284 -4.810 47 HG2 GLU 6 2HG GLU 6 -6.673 4.867 -2.558 48 HG3 GLU 6 1HG GLU 6 -6.378 5.495 -4.177 49 H LEU 7 H LEU 7 -3.189 2.300 -2.202 50 HA LEU 7 HA LEU 7 -2.259 0.414 -4.078 51 HB2 LEU 7 2HB LEU 7 -1.011 1.358 -1.514 52 HB3 LEU 7 1HB LEU 7 -0.210 0.308 -2.665 53 HG LEU 7 HG LEU 7 -1.133 3.128 -3.233 54 HD11 LEU 7 1HD1 LEU 7 0.726 3.046 -1.686 55 HD12 LEU 7 2HD1 LEU 7 1.254 3.626 -3.269 56 HD13 LEU 7 3HD1 LEU 7 1.592 1.967 -2.776 57 HD21 LEU 7 1HD2 LEU 7 0.496 1.208 -4.888 58 HD22 LEU 7 2HD2 LEU 7 0.162 2.890 -5.289 59 HD23 LEU 7 3HD2 LEU 7 -1.156 1.722 -5.241 60 H LYS 8 H LYS 8 -3.221 0.031 -0.681 61 HA LYS 8 HA LYS 8 -2.520 -2.723 -0.572 62 HB2 LYS 8 2HB LYS 8 -2.934 -1.320 1.444 63 HB3 LYS 8 1HB LYS 8 -4.646 -1.284 1.036 64 HG2 LYS 8 2HG LYS 8 -4.737 -3.732 1.284 65 HG3 LYS 8 1HG LYS 8 -3.037 -3.734 1.728 66 HD2 LYS 8 2HD LYS 8 -4.359 -3.881 3.728 67 HD3 LYS 8 1HD LYS 8 -3.601 -2.292 3.678 68 HE2 LYS 8 2HE LYS 8 -5.937 -2.170 4.399 69 HE3 LYS 8 1HE LYS 8 -5.692 -1.312 2.881 70 HZ1 LYS 8 1HZ LYS 8 -6.619 -3.202 1.704 71 HZ2 LYS 8 2HZ LYS 8 -7.690 -2.638 2.854 72 HZ3 LYS 8 3HZ LYS 8 -6.811 -4.050 3.154 73 H LYS 9 H LYS 9 -5.192 -1.036 -1.869 74 HA LYS 9 HA LYS 9 -6.925 -3.327 -2.093 75 HB2 LYS 9 2HB LYS 9 -7.748 -1.000 -1.821 76 HB3 LYS 9 1HB LYS 9 -7.062 -0.603 -3.383 77 HG2 LYS 9 2HG LYS 9 -8.612 -2.079 -4.482 78 HG3 LYS 9 1HG LYS 9 -9.244 -2.619 -2.922 79 HD2 LYS 9 2HD LYS 9 -9.918 -0.317 -2.415 80 HD3 LYS 9 1HD LYS 9 -9.337 0.192 -3.997 81 HE2 LYS 9 2HE LYS 9 -10.968 -1.228 -5.084 82 HE3 LYS 9 1HE LYS 9 -11.496 -1.843 -3.514 83 HZ1 LYS 9 1HZ LYS 9 -12.982 -0.128 -4.338 84 HZ2 LYS 9 2HZ LYS 9 -11.702 0.982 -4.392 85 HZ3 LYS 9 3HZ LYS 9 -12.208 0.352 -2.921 86 H ARG 10 H ARG 10 -4.617 -1.610 -4.023 87 HA ARG 10 HA ARG 10 -5.176 -2.940 -6.507 88 HB2 ARG 10 2HB ARG 10 -4.051 -0.615 -6.089 89 HB3 ARG 10 1HB ARG 10 -2.635 -1.573 -5.771 90 HG2 ARG 10 2HG ARG 10 -2.545 -2.416 -7.954 91 HG3 ARG 10 1HG ARG 10 -4.151 -1.785 -8.341 92 HD2 ARG 10 2HD ARG 10 -1.692 -0.201 -7.689 93 HD3 ARG 10 1HD ARG 10 -2.489 -0.326 -9.270 94 HE ARG 10 HE ARG 10 -4.472 0.603 -7.821 95 HH11 ARG 10 1HH1 ARG 10 -1.132 1.751 -8.049 96 HH12 ARG 10 2HH1 ARG 10 -1.483 3.312 -7.443 97 HH21 ARG 10 1HH2 ARG 10 -4.945 2.763 -7.006 98 HH22 ARG 10 2HH2 ARG 10 -3.694 3.906 -6.852 99 H TYR 11 H TYR 11 -2.965 -3.331 -3.817 100 HA TYR 11 HA TYR 11 -1.975 -5.820 -5.011 101 HB2 TYR 11 2HB TYR 11 -0.476 -4.039 -3.071 102 HB3 TYR 11 1HB TYR 11 0.131 -5.478 -3.859 103 HD1 TYR 11 1HD TYR 11 1.000 -5.363 -6.134 104 HD2 TYR 11 2HD TYR 11 -0.720 -1.937 -4.297 105 HE1 TYR 11 1HE TYR 11 1.999 -3.936 -7.868 106 HE2 TYR 11 2HE TYR 11 0.226 -0.507 -6.017 107 HH TYR 11 HH TYR 11 2.318 -0.661 -7.555 108 HA PRO 12 HA PRO 12 -3.973 -6.763 -0.901 109 HB2 PRO 12 2HB PRO 12 -5.603 -8.765 -2.175 110 HB3 PRO 12 1HB PRO 12 -6.117 -7.246 -1.436 111 HG2 PRO 12 2HG PRO 12 -6.272 -7.748 -4.126 112 HG3 PRO 12 1HG PRO 12 -6.116 -6.126 -3.431 113 HD2 PRO 12 2HD PRO 12 -3.992 -7.899 -4.589 114 HD3 PRO 12 1HD PRO 12 -4.256 -6.155 -4.832 115 H ASN 13 H ASN 13 -2.385 -8.626 -3.277 116 HA ASN 13 HA ASN 13 -2.205 -10.958 -1.532 117 HB2 ASN 13 2HB ASN 13 -1.047 -10.551 -4.311 118 HB3 ASN 13 1HB ASN 13 -0.875 -12.010 -3.356 119 HD21 ASN 13 1HD2 ASN 13 -2.086 -11.613 -5.953 120 HD22 ASN 13 2HD2 ASN 13 -3.707 -12.188 -5.799 121 H CYS 14 H CYS 14 -0.311 -8.384 -2.806 122 HA CYS 14 HA CYS 14 2.100 -9.281 -1.490 123 HB2 CYS 14 2HB CYS 14 1.500 -6.717 -2.975 124 HB3 CYS 14 1HB CYS 14 3.088 -7.252 -2.445 125 H GLU 15 H GLU 15 3.263 -7.283 -0.298 126 HA GLU 15 HA GLU 15 1.344 -6.195 1.644 127 HB2 GLU 15 2HB GLU 15 4.235 -6.995 1.984 128 HB3 GLU 15 1HB GLU 15 3.248 -6.236 3.221 129 HG2 GLU 15 2HG GLU 15 1.836 -8.169 3.345 130 HG3 GLU 15 1HG GLU 15 2.669 -8.908 1.975 131 H VAL 16 H VAL 16 1.154 -4.054 1.203 132 HA VAL 16 HA VAL 16 3.540 -2.736 0.242 133 HB VAL 16 HB VAL 16 1.536 -2.264 -1.116 134 HG11 VAL 16 1HG1 VAL 16 -0.204 -2.423 0.529 135 HG12 VAL 16 2HG1 VAL 16 -0.280 -0.864 -0.289 136 HG13 VAL 16 3HG1 VAL 16 0.393 -0.975 1.340 137 HG21 VAL 16 1HG2 VAL 16 2.545 0.160 0.361 138 HG22 VAL 16 2HG2 VAL 16 1.689 0.192 -1.180 139 HG23 VAL 16 3HG2 VAL 16 3.271 -0.580 -1.066 140 H ARG 17 H ARG 17 4.803 -1.805 1.460 141 HA ARG 17 HA ARG 17 4.128 -1.278 4.220 142 HB2 ARG 17 2HB ARG 17 6.705 -0.862 2.702 143 HB3 ARG 17 1HB ARG 17 6.499 -0.651 4.433 144 HG2 ARG 17 2HG ARG 17 6.160 -3.221 2.923 145 HG3 ARG 17 1HG ARG 17 7.570 -2.743 3.888 146 HD2 ARG 17 2HD ARG 17 4.761 -3.118 4.923 147 HD3 ARG 17 1HD ARG 17 6.080 -4.266 5.118 148 HE ARG 17 HE ARG 17 7.144 -2.095 6.196 149 HH11 ARG 17 1HH1 ARG 17 3.942 -3.511 6.657 150 HH12 ARG 17 2HH1 ARG 17 3.813 -3.031 8.290 151 HH21 ARG 17 1HH2 ARG 17 6.946 -1.438 8.482 152 HH22 ARG 17 2HH2 ARG 17 5.527 -1.851 9.324 153 H CYS 18 H CYS 18 3.097 0.456 4.575 154 HA CYS 18 HA CYS 18 3.628 2.848 2.996 155 HB2 CYS 18 2HB CYS 18 1.541 2.344 5.141 156 HB3 CYS 18 1HB CYS 18 1.644 3.779 4.130 157 H ASP 19 H ASP 19 5.290 3.961 3.680 158 HA ASP 19 HA ASP 19 5.659 4.318 6.557 159 HB2 ASP 19 2HB ASP 19 7.312 2.706 5.608 160 HB3 ASP 19 1HB ASP 19 7.838 3.938 4.476 161 HA DPR 20 HA DPR 20 6.018 8.697 5.654 162 HB2 DPR 20 1HB DPR 20 3.031 8.592 5.786 163 HB3 DPR 20 2HB DPR 20 4.157 9.648 6.656 164 HG2 DPR 20 1HG DPR 20 3.107 7.696 8.017 165 HG3 DPR 20 2HG DPR 20 4.900 7.904 7.987 166 HD2 DPR 20 1HD DPR 20 3.305 6.015 6.305 167 HD3 DPR 20 2HD DPR 20 4.595 5.656 7.479 168 HA PRO 21 HA PRO 21 4.350 9.444 1.523 169 HB2 PRO 21 2HB PRO 21 6.557 10.525 0.480 170 HB3 PRO 21 1HB PRO 21 5.586 11.419 1.654 171 HG2 PRO 21 2HG PRO 21 8.153 9.943 2.045 172 HG3 PRO 21 1HG PRO 21 7.631 11.488 2.740 173 HD2 PRO 21 2HD PRO 21 7.534 9.048 4.041 174 HD3 PRO 21 1HD PRO 21 6.555 10.471 4.463 175 H ARG 22 H ARG 22 6.422 7.146 2.637 176 HA ARG 22 HA ARG 22 7.361 6.214 0.003 177 HB2 ARG 22 2HB ARG 22 7.953 5.163 2.759 178 HB3 ARG 22 1HB ARG 22 8.686 4.613 1.267 179 HG2 ARG 22 2HG ARG 22 9.852 6.685 1.023 180 HG3 ARG 22 1HG ARG 22 8.988 7.376 2.405 181 HD2 ARG 22 2HD ARG 22 11.220 6.610 3.069 182 HD3 ARG 22 1HD ARG 22 9.954 5.694 3.873 183 HE ARG 22 HE ARG 22 11.248 4.656 1.458 184 HH11 ARG 22 1HH1 ARG 22 10.377 4.231 4.904 185 HH12 ARG 22 2HH1 ARG 22 11.044 2.666 4.972 186 HH21 ARG 22 1HH2 ARG 22 12.091 2.470 1.622 187 HH22 ARG 22 2HH2 ARG 22 12.000 1.650 3.113 188 H TYR 23 H TYR 23 6.061 4.748 -0.952 189 HA TYR 23 HA TYR 23 4.759 2.843 0.836 190 HB2 TYR 23 2HB TYR 23 3.678 3.808 -1.831 191 HB3 TYR 23 1HB TYR 23 2.887 2.706 -0.711 192 HD1 TYR 23 1HD TYR 23 3.273 6.101 -1.678 193 HD2 TYR 23 2HD TYR 23 2.302 3.630 1.616 194 HE1 TYR 23 1HE TYR 23 2.251 8.027 -0.557 195 HE2 TYR 23 2HE TYR 23 1.274 5.546 2.764 196 HH TYR 23 HH TYR 23 1.526 8.004 2.716 197 H GLU 24 H GLU 24 5.852 1.085 0.653 198 HA GLU 24 HA GLU 24 7.177 0.461 -1.905 199 HB2 GLU 24 2HB GLU 24 7.907 -0.426 0.886 200 HB3 GLU 24 1HB GLU 24 8.788 -0.798 -0.581 201 HG2 GLU 24 2HG GLU 24 8.439 1.959 0.596 202 HG3 GLU 24 1HG GLU 24 9.856 0.923 0.751 203 H VAL 25 H VAL 25 6.247 -1.161 -2.911 204 HA VAL 25 HA VAL 25 4.598 -2.968 -1.343 205 HB VAL 25 HB VAL 25 3.429 -1.981 -3.228 206 HG11 VAL 25 1HG1 VAL 25 4.019 -2.491 -5.550 207 HG12 VAL 25 2HG1 VAL 25 5.491 -3.292 -4.970 208 HG13 VAL 25 3HG1 VAL 25 5.268 -1.561 -4.713 209 HG21 VAL 25 1HG2 VAL 25 3.953 -4.919 -3.648 210 HG22 VAL 25 2HG2 VAL 25 2.581 -4.023 -4.303 211 HG23 VAL 25 3HG2 VAL 25 2.762 -4.211 -2.558 212 H HIS 26 H HIS 26 5.255 -4.831 -0.747 213 HA HIS 26 HA HIS 26 7.515 -6.037 -2.148 214 HB2 HIS 26 2HB HIS 26 6.642 -6.241 0.726 215 HB3 HIS 26 1HB HIS 26 7.919 -7.225 0.020 216 HD1 HIS 26 1HD HIS 26 10.257 -6.218 0.127 217 HD2 HIS 26 2HD HIS 26 7.253 -3.404 0.733 218 HE1 HIS 26 1HE HIS 26 11.421 -4.064 0.740 219 H CYS 27 H CYS 27 7.203 -7.944 -3.062 220 HA CYS 27 HA CYS 27 4.711 -9.317 -2.444 221 HB2 CYS 27 2HB CYS 27 6.216 -9.161 -5.061 222 HB3 CYS 27 1HB CYS 27 4.810 -10.180 -4.789 Start of MODEL 19 1 H1 ASN 1 1HT ASN 1 -3.161 11.555 4.264 2 H2 ASN 1 2HT ASN 1 -4.121 10.213 4.650 3 H3 ASN 1 3HT ASN 1 -4.404 11.078 3.227 4 HA ASN 1 HA ASN 1 -2.371 10.384 2.294 5 HB2 ASN 1 2HB ASN 1 -1.199 10.195 4.542 6 HB3 ASN 1 1HB ASN 1 -2.080 8.690 4.788 7 HD21 ASN 1 1HD2 ASN 1 -0.195 7.505 4.896 8 HD22 ASN 1 2HD2 ASN 1 0.810 7.221 3.512 9 H ASP 2 H ASP 2 -3.511 9.246 0.744 10 HA ASP 2 HA ASP 2 -5.052 6.953 1.762 11 HB2 ASP 2 2HB ASP 2 -6.024 8.917 -0.304 12 HB3 ASP 2 1HB ASP 2 -6.833 7.407 0.079 13 H LYS 3 H LYS 3 -2.618 7.565 -0.255 14 HA LYS 3 HA LYS 3 -3.527 5.782 -2.350 15 HB2 LYS 3 2HB LYS 3 -0.767 6.929 -1.995 16 HB3 LYS 3 1HB LYS 3 -1.151 5.758 -3.232 17 HG2 LYS 3 2HG LYS 3 -1.181 7.824 -4.305 18 HG3 LYS 3 1HG LYS 3 -2.880 7.439 -4.053 19 HD2 LYS 3 2HD LYS 3 -2.976 8.922 -2.173 20 HD3 LYS 3 1HD LYS 3 -1.232 9.193 -2.261 21 HE2 LYS 3 2HE LYS 3 -1.530 10.148 -4.504 22 HE3 LYS 3 1HE LYS 3 -3.276 9.968 -4.329 23 HZ1 LYS 3 1HZ LYS 3 -2.542 12.197 -3.809 24 HZ2 LYS 3 2HZ LYS 3 -1.525 11.616 -2.597 25 HZ3 LYS 3 3HZ LYS 3 -3.200 11.455 -2.447 26 H CYS 4 H CYS 4 -1.926 5.259 0.630 27 HA CYS 4 HA CYS 4 -0.719 2.795 -0.194 28 HB2 CYS 4 2HB CYS 4 0.029 4.131 1.836 29 HB3 CYS 4 1HB CYS 4 -1.436 3.580 2.633 30 H LYS 5 H LYS 5 -3.741 3.808 1.130 31 HA LYS 5 HA LYS 5 -4.836 1.236 1.628 32 HB2 LYS 5 2HB LYS 5 -6.219 3.836 0.933 33 HB3 LYS 5 1HB LYS 5 -7.005 2.402 1.580 34 HG2 LYS 5 2HG LYS 5 -5.840 2.616 3.654 35 HG3 LYS 5 1HG LYS 5 -4.837 3.912 3.012 36 HD2 LYS 5 2HD LYS 5 -6.557 4.868 4.403 37 HD3 LYS 5 1HD LYS 5 -6.875 5.287 2.726 38 HE2 LYS 5 2HE LYS 5 -8.541 3.479 2.604 39 HE3 LYS 5 1HE LYS 5 -8.221 3.085 4.293 40 HZ1 LYS 5 1HZ LYS 5 -9.297 5.633 3.254 41 HZ2 LYS 5 2HZ LYS 5 -8.949 5.347 4.871 42 HZ3 LYS 5 3HZ LYS 5 -10.173 4.467 4.089 43 H GLU 6 H GLU 6 -4.794 3.431 -1.129 44 HA GLU 6 HA GLU 6 -6.507 2.041 -2.840 45 HB2 GLU 6 2HB GLU 6 -5.558 4.425 -2.944 46 HB3 GLU 6 1HB GLU 6 -4.127 3.691 -3.642 47 HG2 GLU 6 2HG GLU 6 -5.510 4.548 -5.365 48 HG3 GLU 6 1HG GLU 6 -5.505 2.777 -5.431 49 H LEU 7 H LEU 7 -2.972 2.065 -2.487 50 HA LEU 7 HA LEU 7 -2.498 0.102 -4.452 51 HB2 LEU 7 2HB LEU 7 -0.753 1.087 -2.215 52 HB3 LEU 7 1HB LEU 7 -0.208 -0.027 -3.455 53 HG LEU 7 HG LEU 7 -1.135 2.814 -3.911 54 HD11 LEU 7 1HD1 LEU 7 1.204 3.239 -4.459 55 HD12 LEU 7 2HD1 LEU 7 1.605 1.579 -4.019 56 HD13 LEU 7 3HD1 LEU 7 1.014 2.699 -2.792 57 HD21 LEU 7 1HD2 LEU 7 -0.310 2.481 -6.192 58 HD22 LEU 7 2HD2 LEU 7 -1.650 1.396 -5.832 59 HD23 LEU 7 3HD2 LEU 7 0.012 0.790 -5.828 60 H LYS 8 H LYS 8 -3.091 -0.150 -0.992 61 HA LYS 8 HA LYS 8 -2.328 -2.884 -0.861 62 HB2 LYS 8 2HB LYS 8 -2.447 -1.467 1.166 63 HB3 LYS 8 1HB LYS 8 -4.191 -1.350 0.978 64 HG2 LYS 8 2HG LYS 8 -4.472 -3.665 1.416 65 HG3 LYS 8 1HG LYS 8 -2.744 -3.946 1.335 66 HD2 LYS 8 2HD LYS 8 -2.442 -2.558 3.344 67 HD3 LYS 8 1HD LYS 8 -4.194 -2.343 3.429 68 HE2 LYS 8 2HE LYS 8 -3.425 -4.121 4.945 69 HE3 LYS 8 1HE LYS 8 -4.500 -4.745 3.697 70 HZ1 LYS 8 1HZ LYS 8 -2.616 -6.218 3.957 71 HZ2 LYS 8 2HZ LYS 8 -1.532 -4.969 3.743 72 HZ3 LYS 8 3HZ LYS 8 -2.514 -5.472 2.456 73 H LYS 9 H LYS 9 -5.205 -1.233 -1.746 74 HA LYS 9 HA LYS 9 -6.900 -3.511 -1.856 75 HB2 LYS 9 2HB LYS 9 -7.781 -1.244 -1.724 76 HB3 LYS 9 1HB LYS 9 -7.015 -0.826 -3.244 77 HG2 LYS 9 2HG LYS 9 -8.485 -2.369 -4.415 78 HG3 LYS 9 1HG LYS 9 -9.236 -2.825 -2.883 79 HD2 LYS 9 2HD LYS 9 -9.986 -0.536 -2.549 80 HD3 LYS 9 1HD LYS 9 -9.205 -0.049 -4.054 81 HE2 LYS 9 2HE LYS 9 -10.667 -1.534 -5.304 82 HE3 LYS 9 1HE LYS 9 -11.411 -2.076 -3.805 83 HZ1 LYS 9 1HZ LYS 9 -12.749 -0.389 -4.932 84 HZ2 LYS 9 2HZ LYS 9 -11.475 0.695 -4.847 85 HZ3 LYS 9 3HZ LYS 9 -12.219 0.158 -3.431 86 H ARG 10 H ARG 10 -4.882 -1.771 -4.115 87 HA ARG 10 HA ARG 10 -5.467 -3.265 -6.437 88 HB2 ARG 10 2HB ARG 10 -4.436 -0.955 -6.406 89 HB3 ARG 10 1HB ARG 10 -2.996 -1.695 -5.772 90 HG2 ARG 10 2HG ARG 10 -2.592 -2.882 -7.769 91 HG3 ARG 10 1HG ARG 10 -4.161 -2.415 -8.435 92 HD2 ARG 10 2HD ARG 10 -3.512 -0.106 -8.457 93 HD3 ARG 10 1HD ARG 10 -1.983 -0.479 -7.666 94 HE ARG 10 HE ARG 10 -1.983 -1.987 -9.906 95 HH11 ARG 10 1HH1 ARG 10 -2.352 1.472 -9.281 96 HH12 ARG 10 2HH1 ARG 10 -1.661 1.961 -10.753 97 HH21 ARG 10 1HH2 ARG 10 -1.013 -1.330 -11.929 98 HH22 ARG 10 2HH2 ARG 10 -0.870 0.327 -12.285 99 H TYR 11 H TYR 11 -3.008 -3.617 -3.939 100 HA TYR 11 HA TYR 11 -2.194 -6.130 -5.223 101 HB2 TYR 11 2HB TYR 11 -0.481 -4.397 -3.412 102 HB3 TYR 11 1HB TYR 11 0.001 -5.885 -4.211 103 HD1 TYR 11 1HD TYR 11 0.843 -5.855 -6.431 104 HD2 TYR 11 2HD TYR 11 -0.941 -2.373 -4.785 105 HE1 TYR 11 1HE TYR 11 1.661 -4.543 -8.328 106 HE2 TYR 11 2HE TYR 11 -0.163 -1.055 -6.669 107 HH TYR 11 HH TYR 11 1.122 -2.500 -9.481 108 HA PRO 12 HA PRO 12 -3.871 -7.165 -1.067 109 HB2 PRO 12 2HB PRO 12 -5.645 -9.033 -1.776 110 HB3 PRO 12 1HB PRO 12 -6.005 -7.306 -1.918 111 HG2 PRO 12 2HG PRO 12 -5.249 -9.263 -4.037 112 HG3 PRO 12 1HG PRO 12 -6.402 -7.919 -4.106 113 HD2 PRO 12 2HD PRO 12 -3.805 -7.862 -5.078 114 HD3 PRO 12 1HD PRO 12 -4.787 -6.437 -4.704 115 H ASN 13 H ASN 13 -2.191 -8.787 -3.480 116 HA ASN 13 HA ASN 13 -1.800 -11.157 -1.775 117 HB2 ASN 13 2HB ASN 13 -1.040 -10.809 -4.686 118 HB3 ASN 13 1HB ASN 13 -0.880 -12.285 -3.751 119 HD21 ASN 13 1HD2 ASN 13 -3.007 -10.229 -5.514 120 HD22 ASN 13 2HD2 ASN 13 -4.392 -11.247 -5.448 121 H CYS 14 H CYS 14 -0.621 -8.330 -1.898 122 HA CYS 14 HA CYS 14 2.156 -9.163 -1.499 123 HB2 CYS 14 2HB CYS 14 1.188 -6.618 -2.806 124 HB3 CYS 14 1HB CYS 14 2.846 -6.941 -2.343 125 H GLU 15 H GLU 15 3.227 -7.144 -0.275 126 HA GLU 15 HA GLU 15 1.321 -6.341 1.810 127 HB2 GLU 15 2HB GLU 15 4.300 -6.733 1.974 128 HB3 GLU 15 1HB GLU 15 3.256 -6.244 3.295 129 HG2 GLU 15 2HG GLU 15 2.130 -8.380 3.226 130 HG3 GLU 15 1HG GLU 15 3.101 -8.858 1.833 131 H VAL 16 H VAL 16 0.743 -4.294 1.212 132 HA VAL 16 HA VAL 16 2.788 -2.476 0.250 133 HB VAL 16 HB VAL 16 -0.157 -1.928 0.750 134 HG11 VAL 16 1HG1 VAL 16 1.224 0.096 0.753 135 HG12 VAL 16 2HG1 VAL 16 0.184 0.036 -0.666 136 HG13 VAL 16 3HG1 VAL 16 1.898 -0.357 -0.814 137 HG21 VAL 16 1HG2 VAL 16 0.140 -3.643 -0.961 138 HG22 VAL 16 2HG2 VAL 16 1.274 -2.599 -1.818 139 HG23 VAL 16 3HG2 VAL 16 -0.418 -2.132 -1.682 140 H ARG 17 H ARG 17 4.059 -1.631 1.692 141 HA ARG 17 HA ARG 17 3.079 -1.172 4.402 142 HB2 ARG 17 2HB ARG 17 5.910 -0.826 3.391 143 HB3 ARG 17 1HB ARG 17 5.379 -0.998 5.051 144 HG2 ARG 17 2HG ARG 17 4.755 -3.307 4.681 145 HG3 ARG 17 1HG ARG 17 5.150 -3.165 2.971 146 HD2 ARG 17 2HD ARG 17 6.970 -4.268 4.000 147 HD3 ARG 17 1HD ARG 17 7.502 -2.624 3.671 148 HE ARG 17 HE ARG 17 6.447 -3.114 6.317 149 HH11 ARG 17 1HH1 ARG 17 9.329 -2.624 4.308 150 HH12 ARG 17 2HH1 ARG 17 10.428 -2.722 5.602 151 HH21 ARG 17 1HH2 ARG 17 8.000 -3.250 8.132 152 HH22 ARG 17 2HH2 ARG 17 9.656 -3.026 7.812 153 H CYS 18 H CYS 18 2.561 0.768 5.068 154 HA CYS 18 HA CYS 18 2.723 3.017 3.245 155 HB2 CYS 18 2HB CYS 18 1.471 2.959 5.991 156 HB3 CYS 18 1HB CYS 18 1.103 4.024 4.640 157 H ASP 19 H ASP 19 4.458 4.426 3.432 158 HA ASP 19 HA ASP 19 5.267 5.075 6.164 159 HB2 ASP 19 2HB ASP 19 6.975 3.580 4.929 160 HB3 ASP 19 1HB ASP 19 7.252 4.973 3.891 161 HA DPR 20 HA DPR 20 4.828 9.342 4.927 162 HB2 DPR 20 1HB DPR 20 1.897 8.739 5.131 163 HB3 DPR 20 2HB DPR 20 2.817 10.074 5.847 164 HG2 DPR 20 1HG DPR 20 2.169 8.121 7.457 165 HG3 DPR 20 2HG DPR 20 3.891 8.638 7.327 166 HD2 DPR 20 1HD DPR 20 2.629 6.307 5.948 167 HD3 DPR 20 2HD DPR 20 4.014 6.339 7.069 168 HA PRO 21 HA PRO 21 2.987 9.551 0.804 169 HB2 PRO 21 2HB PRO 21 5.002 10.865 -0.372 170 HB3 PRO 21 1HB PRO 21 3.915 11.687 0.753 171 HG2 PRO 21 2HG PRO 21 6.663 10.597 1.233 172 HG3 PRO 21 1HG PRO 21 5.972 12.139 1.761 173 HD2 PRO 21 2HD PRO 21 6.166 9.935 3.362 174 HD3 PRO 21 1HD PRO 21 4.927 11.191 3.567 175 H ARG 22 H ARG 22 5.416 7.680 2.011 176 HA ARG 22 HA ARG 22 6.222 6.658 -0.621 177 HB2 ARG 22 2HB ARG 22 7.530 6.351 2.079 178 HB3 ARG 22 1HB ARG 22 7.989 5.390 0.684 179 HG2 ARG 22 2HG ARG 22 8.145 8.396 0.863 180 HG3 ARG 22 1HG ARG 22 9.496 7.273 1.033 181 HD2 ARG 22 2HD ARG 22 7.788 7.656 -1.425 182 HD3 ARG 22 1HD ARG 22 9.448 8.196 -1.210 183 HE ARG 22 HE ARG 22 9.888 5.680 -0.864 184 HH11 ARG 22 1HH1 ARG 22 7.560 7.033 -3.184 185 HH12 ARG 22 2HH1 ARG 22 7.681 5.714 -4.248 186 HH21 ARG 22 1HH2 ARG 22 10.038 3.902 -2.357 187 HH22 ARG 22 2HH2 ARG 22 9.114 3.918 -3.789 188 H TYR 23 H TYR 23 5.648 4.728 -1.279 189 HA TYR 23 HA TYR 23 4.235 3.021 0.636 190 HB2 TYR 23 2HB TYR 23 3.483 3.363 -2.265 191 HB3 TYR 23 1HB TYR 23 2.565 2.568 -0.994 192 HD1 TYR 23 1HD TYR 23 1.899 4.153 1.009 193 HD2 TYR 23 2HD TYR 23 2.882 5.493 -2.888 194 HE1 TYR 23 1HE TYR 23 0.663 6.239 1.425 195 HE2 TYR 23 2HE TYR 23 1.661 7.574 -2.497 196 HH TYR 23 HH TYR 23 0.495 8.502 0.592 197 H GLU 24 H GLU 24 5.407 1.222 0.789 198 HA GLU 24 HA GLU 24 6.808 0.381 -1.626 199 HB2 GLU 24 2HB GLU 24 8.399 -0.843 -0.132 200 HB3 GLU 24 1HB GLU 24 8.436 0.900 0.064 201 HG2 GLU 24 2HG GLU 24 7.068 0.683 2.092 202 HG3 GLU 24 1HG GLU 24 7.067 -1.068 1.849 203 H VAL 25 H VAL 25 5.816 -1.133 -2.624 204 HA VAL 25 HA VAL 25 4.197 -2.971 -1.098 205 HB VAL 25 HB VAL 25 3.030 -1.998 -2.974 206 HG11 VAL 25 1HG1 VAL 25 3.703 -2.338 -5.306 207 HG12 VAL 25 2HG1 VAL 25 5.219 -3.050 -4.741 208 HG13 VAL 25 3HG1 VAL 25 4.847 -1.362 -4.384 209 HG21 VAL 25 1HG2 VAL 25 2.315 -3.987 -4.204 210 HG22 VAL 25 2HG2 VAL 25 2.479 -4.313 -2.476 211 HG23 VAL 25 3HG2 VAL 25 3.722 -4.858 -3.600 212 H HIS 26 H HIS 26 5.104 -4.632 -0.318 213 HA HIS 26 HA HIS 26 7.426 -5.833 -1.556 214 HB2 HIS 26 2HB HIS 26 7.493 -5.477 0.864 215 HB3 HIS 26 1HB HIS 26 6.005 -6.377 1.074 216 HD1 HIS 26 1HD HIS 26 6.405 -8.758 1.914 217 HD2 HIS 26 2HD HIS 26 9.620 -7.261 -0.295 218 HE1 HIS 26 1HE HIS 26 8.146 -10.548 1.925 219 H CYS 27 H CYS 27 7.002 -7.154 -3.164 220 HA CYS 27 HA CYS 27 4.956 -9.205 -2.794 221 HB2 CYS 27 2HB CYS 27 6.087 -8.114 -5.398 222 HB3 CYS 27 1HB CYS 27 4.871 -9.373 -5.253 Start of MODEL 20 1 H1 ASN 1 1HT ASN 1 -3.385 13.748 0.600 2 H2 ASN 1 2HT ASN 1 -2.629 12.738 1.740 3 H3 ASN 1 3HT ASN 1 -4.298 12.641 1.489 4 HA ASN 1 HA ASN 1 -4.010 11.778 -0.677 5 HB2 ASN 1 2HB ASN 1 -1.849 13.050 -1.062 6 HB3 ASN 1 1HB ASN 1 -1.046 11.860 -0.059 7 HD21 ASN 1 1HD2 ASN 1 -0.606 12.564 -2.812 8 HD22 ASN 1 2HD2 ASN 1 -0.777 11.122 -3.746 9 H ASP 2 H ASP 2 -4.564 9.715 -0.426 10 HA ASP 2 HA ASP 2 -2.995 8.059 1.382 11 HB2 ASP 2 2HB ASP 2 -6.000 8.245 1.401 12 HB3 ASP 2 1HB ASP 2 -5.177 6.788 1.929 13 H LYS 3 H LYS 3 -1.971 7.134 -0.295 14 HA LYS 3 HA LYS 3 -3.689 5.656 -2.124 15 HB2 LYS 3 2HB LYS 3 -0.733 6.197 -2.232 16 HB3 LYS 3 1HB LYS 3 -1.534 5.070 -3.318 17 HG2 LYS 3 2HG LYS 3 -2.981 6.892 -4.102 18 HG3 LYS 3 1HG LYS 3 -2.105 8.010 -3.057 19 HD2 LYS 3 2HD LYS 3 -0.064 7.606 -4.261 20 HD3 LYS 3 1HD LYS 3 -0.838 6.352 -5.231 21 HE2 LYS 3 2HE LYS 3 -1.550 9.282 -5.206 22 HE3 LYS 3 1HE LYS 3 -0.663 8.443 -6.478 23 HZ1 LYS 3 1HZ LYS 3 -2.667 7.034 -6.799 24 HZ2 LYS 3 2HZ LYS 3 -2.946 8.649 -7.131 25 HZ3 LYS 3 3HZ LYS 3 -3.508 7.984 -5.706 26 H CYS 4 H CYS 4 -2.312 5.192 0.782 27 HA CYS 4 HA CYS 4 -1.219 2.623 0.668 28 HB2 CYS 4 2HB CYS 4 -1.111 4.142 2.646 29 HB3 CYS 4 1HB CYS 4 -2.820 3.830 2.944 30 H LYS 5 H LYS 5 -4.513 3.707 1.194 31 HA LYS 5 HA LYS 5 -5.713 1.199 1.620 32 HB2 LYS 5 2HB LYS 5 -6.942 3.704 0.496 33 HB3 LYS 5 1HB LYS 5 -7.806 2.378 1.271 34 HG2 LYS 5 2HG LYS 5 -6.691 2.897 3.382 35 HG3 LYS 5 1HG LYS 5 -5.809 4.205 2.601 36 HD2 LYS 5 2HD LYS 5 -7.653 5.179 3.778 37 HD3 LYS 5 1HD LYS 5 -8.015 5.260 2.060 38 HE2 LYS 5 2HE LYS 5 -9.457 3.299 2.259 39 HE3 LYS 5 1HE LYS 5 -9.063 3.172 3.969 40 HZ1 LYS 5 1HZ LYS 5 -11.167 4.240 3.670 41 HZ2 LYS 5 2HZ LYS 5 -10.521 5.415 2.671 42 HZ3 LYS 5 3HZ LYS 5 -10.080 5.358 4.304 43 H GLU 6 H GLU 6 -5.260 3.177 -1.268 44 HA GLU 6 HA GLU 6 -6.717 1.552 -3.055 45 HB2 GLU 6 2HB GLU 6 -4.491 3.527 -3.567 46 HB3 GLU 6 1HB GLU 6 -5.449 2.769 -4.829 47 HG2 GLU 6 2HG GLU 6 -6.498 4.570 -2.658 48 HG3 GLU 6 1HG GLU 6 -6.230 5.020 -4.342 49 H LEU 7 H LEU 7 -3.234 1.773 -2.370 50 HA LEU 7 HA LEU 7 -2.494 -0.200 -4.244 51 HB2 LEU 7 2HB LEU 7 -1.033 0.811 -1.816 52 HB3 LEU 7 1HB LEU 7 -0.322 -0.226 -3.037 53 HG LEU 7 HG LEU 7 -1.348 2.580 -3.521 54 HD11 LEU 7 1HD1 LEU 7 1.003 3.173 -3.750 55 HD12 LEU 7 2HD1 LEU 7 1.461 1.533 -3.284 56 HD13 LEU 7 3HD1 LEU 7 0.625 2.580 -2.134 57 HD21 LEU 7 1HD2 LEU 7 -0.220 2.381 -5.678 58 HD22 LEU 7 2HD2 LEU 7 -1.496 1.180 -5.520 59 HD23 LEU 7 3HD2 LEU 7 0.194 0.708 -5.315 60 H LYS 8 H LYS 8 -3.452 -0.392 -0.896 61 HA LYS 8 HA LYS 8 -2.704 -3.073 -0.445 62 HB2 LYS 8 2HB LYS 8 -3.236 -1.510 1.363 63 HB3 LYS 8 1HB LYS 8 -4.896 -1.414 0.806 64 HG2 LYS 8 2HG LYS 8 -5.320 -3.674 1.459 65 HG3 LYS 8 1HG LYS 8 -3.613 -3.946 1.807 66 HD2 LYS 8 2HD LYS 8 -4.813 -3.604 3.879 67 HD3 LYS 8 1HD LYS 8 -3.724 -2.254 3.588 68 HE2 LYS 8 2HE LYS 8 -5.799 -1.393 4.414 69 HE3 LYS 8 1HE LYS 8 -5.669 -0.954 2.716 70 HZ1 LYS 8 1HZ LYS 8 -7.202 -2.781 2.185 71 HZ2 LYS 8 2HZ LYS 8 -7.879 -1.736 3.313 72 HZ3 LYS 8 3HZ LYS 8 -7.256 -3.205 3.817 73 H LYS 9 H LYS 9 -5.495 -1.615 -1.947 74 HA LYS 9 HA LYS 9 -6.973 -4.073 -2.099 75 HB2 LYS 9 2HB LYS 9 -8.169 -1.925 -1.981 76 HB3 LYS 9 1HB LYS 9 -7.411 -1.406 -3.477 77 HG2 LYS 9 2HG LYS 9 -9.714 -2.102 -3.850 78 HG3 LYS 9 1HG LYS 9 -8.588 -3.170 -4.693 79 HD2 LYS 9 2HD LYS 9 -8.775 -4.781 -2.833 80 HD3 LYS 9 1HD LYS 9 -9.965 -3.729 -2.065 81 HE2 LYS 9 2HE LYS 9 -11.418 -3.975 -4.012 82 HE3 LYS 9 1HE LYS 9 -10.224 -5.021 -4.774 83 HZ1 LYS 9 1HZ LYS 9 -11.726 -5.596 -2.273 84 HZ2 LYS 9 2HZ LYS 9 -10.518 -6.577 -2.902 85 HZ3 LYS 9 3HZ LYS 9 -11.930 -6.350 -3.763 86 H ARG 10 H ARG 10 -4.982 -2.113 -4.185 87 HA ARG 10 HA ARG 10 -5.301 -3.556 -6.573 88 HB2 ARG 10 2HB ARG 10 -3.079 -1.817 -5.570 89 HB3 ARG 10 1HB ARG 10 -3.078 -2.530 -7.174 90 HG2 ARG 10 2HG ARG 10 -5.018 -1.320 -7.799 91 HG3 ARG 10 1HG ARG 10 -5.274 -0.786 -6.133 92 HD2 ARG 10 2HD ARG 10 -4.309 0.979 -7.514 93 HD3 ARG 10 1HD ARG 10 -3.261 0.487 -6.190 94 HE ARG 10 HE ARG 10 -2.355 -0.978 -8.261 95 HH11 ARG 10 1HH1 ARG 10 -3.094 2.500 -8.096 96 HH12 ARG 10 2HH1 ARG 10 -1.761 2.951 -9.049 97 HH21 ARG 10 1HH2 ARG 10 -0.522 -0.316 -9.533 98 HH22 ARG 10 2HH2 ARG 10 -0.270 1.340 -9.878 99 H TYR 11 H TYR 11 -3.025 -3.890 -3.898 100 HA TYR 11 HA TYR 11 -2.097 -6.393 -5.114 101 HB2 TYR 11 2HB TYR 11 -0.446 -4.497 -3.424 102 HB3 TYR 11 1HB TYR 11 0.153 -5.935 -4.235 103 HD1 TYR 11 1HD TYR 11 -0.607 -2.417 -4.540 104 HD2 TYR 11 2HD TYR 11 0.205 -5.940 -6.785 105 HE1 TYR 11 1HE TYR 11 -0.192 -1.037 -6.540 106 HE2 TYR 11 2HE TYR 11 0.643 -4.572 -8.774 107 HH TYR 11 HH TYR 11 -0.002 -2.376 -9.628 108 HA PRO 12 HA PRO 12 -4.049 -7.156 -0.991 109 HB2 PRO 12 2HB PRO 12 -5.114 -9.567 -2.240 110 HB3 PRO 12 1HB PRO 12 -5.992 -8.225 -1.510 111 HG2 PRO 12 2HG PRO 12 -6.017 -8.676 -4.167 112 HG3 PRO 12 1HG PRO 12 -6.081 -7.039 -3.488 113 HD2 PRO 12 2HD PRO 12 -3.744 -8.527 -4.622 114 HD3 PRO 12 1HD PRO 12 -4.238 -6.839 -4.885 115 H ASN 13 H ASN 13 -2.209 -9.216 -3.120 116 HA ASN 13 HA ASN 13 -1.721 -11.123 -0.940 117 HB2 ASN 13 2HB ASN 13 -1.023 -11.378 -3.881 118 HB3 ASN 13 1HB ASN 13 -0.788 -12.616 -2.654 119 HD21 ASN 13 1HD2 ASN 13 -2.325 -12.748 -5.072 120 HD22 ASN 13 2HD2 ASN 13 -3.949 -13.104 -4.616 121 H CYS 14 H CYS 14 -0.557 -8.386 -1.626 122 HA CYS 14 HA CYS 14 2.244 -9.143 -1.210 123 HB2 CYS 14 2HB CYS 14 1.165 -6.723 -2.657 124 HB3 CYS 14 1HB CYS 14 2.858 -7.079 -2.369 125 H GLU 15 H GLU 15 3.347 -7.210 -0.118 126 HA GLU 15 HA GLU 15 1.478 -6.093 1.853 127 HB2 GLU 15 2HB GLU 15 3.162 -7.592 2.878 128 HB3 GLU 15 1HB GLU 15 4.449 -6.625 2.170 129 HG2 GLU 15 2HG GLU 15 3.694 -4.685 3.492 130 HG3 GLU 15 1HG GLU 15 2.454 -5.695 4.230 131 H VAL 16 H VAL 16 1.112 -4.014 1.497 132 HA VAL 16 HA VAL 16 3.221 -2.585 0.145 133 HB VAL 16 HB VAL 16 1.071 -2.345 -0.993 134 HG11 VAL 16 1HG1 VAL 16 -0.826 -1.188 0.009 135 HG12 VAL 16 2HG1 VAL 16 0.015 -1.177 1.564 136 HG13 VAL 16 3HG1 VAL 16 -0.455 -2.708 0.820 137 HG21 VAL 16 1HG2 VAL 16 2.581 -0.459 -1.107 138 HG22 VAL 16 2HG2 VAL 16 1.892 0.214 0.372 139 HG23 VAL 16 3HG2 VAL 16 0.910 0.102 -1.090 140 H ARG 17 H ARG 17 4.574 -1.585 1.237 141 HA ARG 17 HA ARG 17 4.067 -1.027 3.987 142 HB2 ARG 17 2HB ARG 17 6.459 -0.542 2.254 143 HB3 ARG 17 1HB ARG 17 6.358 -0.035 3.928 144 HG2 ARG 17 2HG ARG 17 5.925 -2.474 4.474 145 HG3 ARG 17 1HG ARG 17 6.441 -2.811 2.814 146 HD2 ARG 17 2HD ARG 17 8.305 -2.986 4.394 147 HD3 ARG 17 1HD ARG 17 8.558 -1.691 3.222 148 HE ARG 17 HE ARG 17 7.707 -0.155 5.009 149 HH11 ARG 17 1HH1 ARG 17 9.438 -3.134 5.812 150 HH12 ARG 17 2HH1 ARG 17 9.876 -2.625 7.374 151 HH21 ARG 17 1HH2 ARG 17 8.265 0.547 7.125 152 HH22 ARG 17 2HH2 ARG 17 9.196 -0.479 8.144 153 H CYS 18 H CYS 18 2.809 0.581 4.354 154 HA CYS 18 HA CYS 18 3.230 3.063 2.922 155 HB2 CYS 18 2HB CYS 18 1.234 2.426 5.110 156 HB3 CYS 18 1HB CYS 18 1.160 3.730 3.928 157 H ASP 19 H ASP 19 4.872 4.137 3.737 158 HA ASP 19 HA ASP 19 5.268 4.148 6.636 159 HB2 ASP 19 2HB ASP 19 7.447 4.196 4.503 160 HB3 ASP 19 1HB ASP 19 7.726 4.437 6.217 161 HA DPR 20 HA DPR 20 5.409 8.608 6.349 162 HB2 DPR 20 1HB DPR 20 2.473 8.268 6.785 163 HB3 DPR 20 2HB DPR 20 3.621 9.307 7.643 164 HG2 DPR 20 1HG DPR 20 2.870 7.129 8.877 165 HG3 DPR 20 2HG DPR 20 4.629 7.474 8.664 166 HD2 DPR 20 1HD DPR 20 2.960 5.667 6.968 167 HD3 DPR 20 2HD DPR 20 4.414 5.294 7.928 168 HA PRO 21 HA PRO 21 3.182 9.683 2.600 169 HB2 PRO 21 2HB PRO 21 5.128 11.078 1.444 170 HB3 PRO 21 1HB PRO 21 4.307 11.710 2.878 171 HG2 PRO 21 2HG PRO 21 6.975 10.379 2.657 172 HG3 PRO 21 1HG PRO 21 6.507 11.789 3.624 173 HD2 PRO 21 2HD PRO 21 6.713 9.204 4.582 174 HD3 PRO 21 1HD PRO 21 5.748 10.492 5.334 175 H ARG 22 H ARG 22 5.489 7.385 3.115 176 HA ARG 22 HA ARG 22 6.040 6.976 0.266 177 HB2 ARG 22 2HB ARG 22 7.454 5.861 2.685 178 HB3 ARG 22 1HB ARG 22 7.830 5.408 1.029 179 HG2 ARG 22 2HG ARG 22 8.017 8.199 2.143 180 HG3 ARG 22 1HG ARG 22 9.375 7.091 1.924 181 HD2 ARG 22 2HD ARG 22 8.994 7.048 -0.470 182 HD3 ARG 22 1HD ARG 22 7.558 8.045 -0.287 183 HE ARG 22 HE ARG 22 9.321 9.650 0.747 184 HH11 ARG 22 1HH1 ARG 22 9.657 7.645 -2.157 185 HH12 ARG 22 2HH1 ARG 22 10.569 8.780 -3.014 186 HH21 ARG 22 1HH2 ARG 22 10.603 11.204 -0.425 187 HH22 ARG 22 2HH2 ARG 22 11.160 10.846 -1.993 188 H TYR 23 H TYR 23 5.531 5.175 -0.793 189 HA TYR 23 HA TYR 23 4.082 3.071 0.666 190 HB2 TYR 23 2HB TYR 23 3.334 4.055 -2.088 191 HB3 TYR 23 1HB TYR 23 2.476 2.904 -1.088 192 HD1 TYR 23 1HD TYR 23 1.612 3.946 1.235 193 HD2 TYR 23 2HD TYR 23 2.531 6.155 -2.270 194 HE1 TYR 23 1HE TYR 23 0.128 5.750 1.984 195 HE2 TYR 23 2HE TYR 23 1.067 7.965 -1.541 196 HH TYR 23 HH TYR 23 -0.168 8.199 1.583 197 H GLU 24 H GLU 24 5.181 1.223 0.297 198 HA GLU 24 HA GLU 24 6.324 0.847 -2.380 199 HB2 GLU 24 2HB GLU 24 8.069 1.509 -0.688 200 HB3 GLU 24 1HB GLU 24 7.719 0.011 0.162 201 HG2 GLU 24 2HG GLU 24 8.393 -1.265 -1.797 202 HG3 GLU 24 1HG GLU 24 8.721 0.233 -2.664 203 H VAL 25 H VAL 25 5.346 -0.857 -3.251 204 HA VAL 25 HA VAL 25 4.171 -2.792 -1.468 205 HB VAL 25 HB VAL 25 2.719 -1.948 -3.234 206 HG11 VAL 25 1HG1 VAL 25 4.342 -1.444 -4.946 207 HG12 VAL 25 2HG1 VAL 25 3.090 -2.512 -5.596 208 HG13 VAL 25 3HG1 VAL 25 4.674 -3.161 -5.154 209 HG21 VAL 25 1HG2 VAL 25 1.929 -4.082 -4.149 210 HG22 VAL 25 2HG2 VAL 25 2.314 -4.194 -2.431 211 HG23 VAL 25 3HG2 VAL 25 3.430 -4.846 -3.630 212 H HIS 26 H HIS 26 5.006 -4.614 -0.962 213 HA HIS 26 HA HIS 26 7.300 -5.639 -2.482 214 HB2 HIS 26 2HB HIS 26 6.427 -6.135 0.371 215 HB3 HIS 26 1HB HIS 26 7.807 -6.899 -0.402 216 HD1 HIS 26 1HD HIS 26 9.934 -5.842 0.479 217 HD2 HIS 26 2HD HIS 26 6.828 -3.090 0.156 218 HE1 HIS 26 1HE HIS 26 10.851 -3.646 1.289 219 H CYS 27 H CYS 27 6.880 -7.358 -3.694 220 HA CYS 27 HA CYS 27 4.748 -9.201 -2.894 221 HB2 CYS 27 2HB CYS 27 5.634 -8.458 -5.698 222 HB3 CYS 27 1HB CYS 27 4.463 -9.709 -5.312
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