NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
12345 | 1ssu | 6160 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ASP 1 1H ASP 1 -0.635 1.798 -20.985 2 2H ASP 1 2H ASP 1 -1.556 0.582 -20.387 3 3H ASP 1 3H ASP 1 -1.725 2.098 -19.797 4 HA ASP 1 HA ASP 1 0.663 0.402 -19.515 5 1HB ASP 1 2HB ASP 1 1.187 2.826 -19.737 6 2HB ASP 1 3HB ASP 1 0.128 3.168 -18.356 7 H GLN 2 H GLN 2 0.913 -0.674 -17.557 8 HA GLN 2 HA GLN 2 -1.098 -0.443 -15.424 9 1HB GLN 2 2HB GLN 2 -2.107 -1.910 -17.200 10 2HB GLN 2 3HB GLN 2 -0.755 -3.031 -17.014 11 1HG GLN 2 2HG GLN 2 -1.425 -3.479 -14.686 12 2HG GLN 2 3HG GLN 2 -2.706 -2.264 -14.788 13 1HE2 GLN 2 2HE2 GLN 2 -3.149 -4.994 -14.036 14 2HE2 GLN 2 1HE2 GLN 2 -4.135 -5.720 -15.308 15 H GLU 3 H GLU 3 -0.493 -1.650 -13.513 16 HA GLU 3 HA GLU 3 2.214 -2.857 -13.405 17 1HB GLU 3 2HB GLU 3 2.918 -1.549 -11.536 18 2HB GLU 3 3HB GLU 3 2.499 -0.457 -12.860 19 1HG GLU 3 2HG GLU 3 0.329 0.051 -11.773 20 2HG GLU 3 3HG GLU 3 0.707 -1.071 -10.462 21 H SER 4 H SER 4 2.589 -3.613 -11.025 22 HA SER 4 HA SER 4 0.199 -4.761 -9.722 23 1HB SER 4 2HB SER 4 1.010 -7.036 -9.800 24 2HB SER 4 3HB SER 4 0.877 -6.433 -11.463 25 HG SER 4 HG SER 4 3.137 -6.019 -11.415 26 H CYS 5 H CYS 5 1.008 -6.106 -7.713 27 HA CYS 5 HA CYS 5 2.446 -4.381 -6.036 28 1HB CYS 5 2HB CYS 5 0.754 -6.189 -5.495 29 2HB CYS 5 3HB CYS 5 2.088 -7.359 -5.564 30 H LYS 6 H LYS 6 3.996 -6.349 -8.379 31 HA LYS 6 HA LYS 6 6.103 -7.445 -6.764 32 1HB LYS 6 2HB LYS 6 5.896 -7.000 -9.760 33 2HB LYS 6 3HB LYS 6 7.235 -7.859 -8.963 34 1HG LYS 6 2HG LYS 6 5.559 -9.408 -7.906 35 2HG LYS 6 3HG LYS 6 4.287 -8.656 -8.883 36 1HD LYS 6 2HD LYS 6 6.754 -10.085 -9.937 37 2HD LYS 6 3HD LYS 6 5.151 -10.788 -9.820 38 1HE LYS 6 2HE LYS 6 5.905 -8.392 -11.562 39 2HE LYS 6 3HE LYS 6 5.763 -10.058 -12.122 40 1HZ LYS 6 1HZ LYS 6 3.399 -9.991 -11.414 41 2HZ LYS 6 2HZ LYS 6 3.543 -8.392 -11.058 42 3HZ LYS 6 3HZ LYS 6 3.729 -8.909 -12.589 43 H GLY 7 H GLY 7 7.344 -6.276 -5.613 44 1HA GLY 7 2HA GLY 7 9.320 -4.934 -5.304 45 2HA GLY 7 3HA GLY 7 8.869 -3.938 -6.696 46 H ARG 8 H ARG 8 6.113 -4.478 -4.782 47 HA ARG 8 HA ARG 8 6.403 -1.832 -3.369 48 1HB ARG 8 2HB ARG 8 3.966 -2.893 -4.861 49 2HB ARG 8 3HB ARG 8 4.136 -1.343 -4.050 50 1HG ARG 8 2HG ARG 8 6.085 -0.879 -5.706 51 2HG ARG 8 3HG ARG 8 5.474 -2.284 -6.601 52 1HD ARG 8 2HD ARG 8 4.510 -0.315 -7.555 53 2HD ARG 8 3HD ARG 8 3.211 -1.169 -6.694 54 HE ARG 8 HE ARG 8 4.090 0.538 -4.757 55 1HH1 ARG 8 2HH2 ARG 8 3.151 1.360 -8.070 56 2HH1 ARG 8 1HH2 ARG 8 3.025 3.046 -7.644 57 1HH2 ARG 8 1HH1 ARG 8 3.785 2.458 -4.297 58 2HH2 ARG 8 2HH1 ARG 8 3.331 3.690 -5.484 59 H CYS 9 H CYS 9 5.077 -5.065 -3.064 60 HA CYS 9 HA CYS 9 3.039 -4.682 -1.326 61 1HB CYS 9 2HB CYS 9 4.965 -6.997 -1.021 62 2HB CYS 9 3HB CYS 9 3.229 -6.962 -0.690 63 H THR 10 H THR 10 2.705 -3.765 0.504 64 HA THR 10 HA THR 10 2.918 -2.717 2.434 65 HB THR 10 HB THR 10 4.779 -4.862 3.457 66 HG1 THR 10 1HG THR 10 2.908 -5.691 2.322 67 1HG2 THR 10 1HG2 THR 10 2.514 -3.256 4.741 68 2HG2 THR 10 2HG2 THR 10 3.441 -4.547 5.533 69 3HG2 THR 10 3HG2 THR 10 4.245 -3.041 5.082 70 H GLU 11 H GLU 11 4.495 -1.653 0.435 71 HA GLU 11 HA GLU 11 7.116 -0.926 1.285 72 1HB GLU 11 2HB GLU 11 6.935 0.932 -0.274 73 2HB GLU 11 3HB GLU 11 6.434 -0.579 -1.005 74 1HG GLU 11 2HG GLU 11 4.050 0.081 -0.794 75 2HG GLU 11 3HG GLU 11 4.520 1.545 0.071 76 H GLY 12 H GLY 12 4.091 0.204 2.512 77 1HA GLY 12 2HA GLY 12 3.908 1.463 4.552 78 2HA GLY 12 3HA GLY 12 5.412 2.313 4.185 79 H PHE 13 H PHE 13 2.918 3.495 4.909 80 HA PHE 13 HA PHE 13 1.346 4.355 2.684 81 1HB PHE 13 2HB PHE 13 0.425 4.180 4.871 82 2HB PHE 13 3HB PHE 13 1.643 5.264 5.559 83 HD1 PHE 13 1HD PHE 13 -1.071 5.212 2.930 84 HD2 PHE 13 2HD PHE 13 1.041 7.488 5.936 85 HE1 PHE 13 1HE PHE 13 -2.668 7.091 2.643 86 HE2 PHE 13 2HE PHE 13 -0.561 9.361 5.645 87 HZ PHE 13 HZ PHE 13 -2.416 9.158 4.016 88 H ASN 14 H ASN 14 1.414 5.999 1.358 89 HA ASN 14 HA ASN 14 2.452 8.593 2.019 90 1HB ASN 14 2HB ASN 14 4.604 7.537 1.364 91 2HB ASN 14 3HB ASN 14 3.915 7.084 -0.202 92 1HD2 ASN 14 2HD2 ASN 14 6.225 8.583 -0.156 93 2HD2 ASN 14 1HD2 ASN 14 5.846 10.228 -0.663 94 H VAL 15 H VAL 15 0.300 9.112 1.639 95 HA VAL 15 HA VAL 15 -1.320 8.135 -0.370 96 HB VAL 15 HB VAL 15 -1.854 9.296 1.790 97 1HG1 VAL 15 1HG1 VAL 15 -2.087 11.789 0.116 98 2HG1 VAL 15 2HG1 VAL 15 -2.558 11.555 1.817 99 3HG1 VAL 15 3HG1 VAL 15 -0.849 11.479 1.364 100 1HG2 VAL 15 1HG2 VAL 15 -4.123 9.732 1.171 101 2HG2 VAL 15 2HG2 VAL 15 -3.682 9.807 -0.549 102 3HG2 VAL 15 3HG2 VAL 15 -3.516 8.283 0.362 103 H ASP 16 H ASP 16 1.098 10.453 -1.002 104 HA ASP 16 HA ASP 16 -0.091 11.685 -3.348 105 1HB ASP 16 2HB ASP 16 1.831 12.603 -2.050 106 2HB ASP 16 3HB ASP 16 2.820 11.248 -2.619 107 H LYS 17 H LYS 17 1.460 8.561 -2.763 108 HA LYS 17 HA LYS 17 2.206 8.028 -5.518 109 1HB LYS 17 2HB LYS 17 1.861 6.124 -3.154 110 2HB LYS 17 3HB LYS 17 2.544 5.704 -4.732 111 1HG LYS 17 2HG LYS 17 4.295 7.528 -4.346 112 2HG LYS 17 3HG LYS 17 3.710 7.608 -2.667 113 1HD LYS 17 2HD LYS 17 4.153 5.126 -2.464 114 2HD LYS 17 3HD LYS 17 4.818 5.161 -4.115 115 1HE LYS 17 2HE LYS 17 6.451 6.956 -3.272 116 2HE LYS 17 3HE LYS 17 5.891 6.545 -1.636 117 1HZ LYS 17 1HZ LYS 17 7.254 4.744 -3.557 118 2HZ LYS 17 2HZ LYS 17 7.800 5.202 -2.088 119 3HZ LYS 17 3HZ LYS 17 6.518 4.174 -2.227 120 H LYS 18 H LYS 18 1.337 6.693 -7.024 121 HA LYS 18 HA LYS 18 -1.475 6.640 -7.343 122 1HB LYS 18 2HB LYS 18 0.203 6.746 -9.156 123 2HB LYS 18 3HB LYS 18 0.663 5.072 -8.831 124 1HG LYS 18 2HG LYS 18 -0.742 5.208 -10.800 125 2HG LYS 18 3HG LYS 18 -1.615 4.337 -9.532 126 1HD LYS 18 2HD LYS 18 -2.845 6.463 -8.985 127 2HD LYS 18 3HD LYS 18 -1.986 7.271 -10.312 128 1HE LYS 18 2HE LYS 18 -2.934 5.605 -11.912 129 2HE LYS 18 3HE LYS 18 -3.814 4.839 -10.583 130 1HZ LYS 18 1HZ LYS 18 -5.016 6.940 -10.262 131 2HZ LYS 18 2HZ LYS 18 -4.204 7.643 -11.494 132 3HZ LYS 18 3HZ LYS 18 -5.224 6.405 -11.789 133 H CYS 19 H CYS 19 0.524 4.254 -5.792 134 HA CYS 19 HA CYS 19 -1.959 2.716 -5.188 135 1HB CYS 19 2HB CYS 19 -0.701 1.249 -6.689 136 2HB CYS 19 3HB CYS 19 0.765 1.475 -5.727 137 H GLN 20 H GLN 20 -2.381 2.799 -3.132 138 HA GLN 20 HA GLN 20 -0.250 3.132 -1.086 139 1HB GLN 20 2HB GLN 20 -3.267 2.809 -0.861 140 2HB GLN 20 3HB GLN 20 -2.159 3.114 0.491 141 1HG GLN 20 2HG GLN 20 -2.854 4.993 -1.780 142 2HG GLN 20 3HG GLN 20 -3.074 5.239 -0.039 143 1HE2 GLN 20 2HE2 GLN 20 -1.101 6.123 -2.681 144 2HE2 GLN 20 1HE2 GLN 20 0.271 6.621 -1.687 145 H CYS 21 H CYS 21 0.754 1.216 -2.011 146 HA CYS 21 HA CYS 21 -0.481 -1.422 -1.747 147 1HB CYS 21 2HB CYS 21 2.244 -0.312 -2.521 148 2HB CYS 21 3HB CYS 21 1.953 -2.040 -2.395 149 H ASP 22 H ASP 22 -0.797 -0.331 0.677 150 HA ASP 22 HA ASP 22 1.042 -1.684 2.555 151 1HB ASP 22 2HB ASP 22 1.629 0.382 3.678 152 2HB ASP 22 3HB ASP 22 2.036 0.547 1.969 153 H GLU 23 H GLU 23 0.461 -0.845 4.861 154 HA GLU 23 HA GLU 23 -1.875 -2.191 5.603 155 1HB GLU 23 2HB GLU 23 -0.262 -0.228 7.273 156 2HB GLU 23 3HB GLU 23 -1.255 -1.567 7.857 157 1HG GLU 23 2HG GLU 23 0.304 -3.160 6.675 158 2HG GLU 23 3HG GLU 23 1.342 -1.786 6.267 159 H LEU 24 H LEU 24 -1.713 1.236 4.806 160 HA LEU 24 HA LEU 24 -4.155 1.824 6.464 161 1HB LEU 24 2HB LEU 24 -2.016 3.659 5.336 162 2HB LEU 24 3HB LEU 24 -3.418 4.173 6.267 163 HG LEU 24 HG LEU 24 -1.135 2.441 7.302 164 1HD1 LEU 24 1HD1 LEU 24 -2.027 5.269 8.008 165 2HD1 LEU 24 2HD1 LEU 24 -0.664 4.380 8.726 166 3HD1 LEU 24 3HD1 LEU 24 -0.615 4.849 7.022 167 1HD2 LEU 24 1HD2 LEU 24 -3.655 3.441 8.705 168 2HD2 LEU 24 2HD2 LEU 24 -3.184 1.746 8.443 169 3HD2 LEU 24 3HD2 LEU 24 -2.237 2.756 9.533 170 H CYS 25 H CYS 25 -3.594 0.996 3.324 171 HA CYS 25 HA CYS 25 -4.742 3.075 1.850 172 1HB CYS 25 2HB CYS 25 -4.822 1.571 0.070 173 2HB CYS 25 3HB CYS 25 -3.434 1.103 1.070 174 H SER 26 H SER 26 -6.550 0.543 3.601 175 HA SER 26 HA SER 26 -9.003 0.747 2.156 176 1HB SER 26 2HB SER 26 -9.989 -0.327 4.177 177 2HB SER 26 3HB SER 26 -8.543 -1.147 3.563 178 HG SER 26 HG SER 26 -8.492 -0.883 5.853 179 H TYR 27 H TYR 27 -7.748 2.584 4.872 180 HA TYR 27 HA TYR 27 -10.050 4.212 5.436 181 1HB TYR 27 2HB TYR 27 -8.431 3.869 7.096 182 2HB TYR 27 3HB TYR 27 -7.102 4.228 6.027 183 HD1 TYR 27 1HD TYR 27 -5.874 6.000 6.685 184 HD2 TYR 27 2HD TYR 27 -10.155 6.161 7.193 185 HE1 TYR 27 1HE TYR 27 -5.668 8.296 7.592 186 HE2 TYR 27 2HE TYR 27 -9.952 8.463 8.124 187 HH TYR 27 HH TYR 27 -8.538 10.182 8.674 188 H TYR 28 H TYR 28 -7.841 4.304 2.761 189 HA TYR 28 HA TYR 28 -8.790 7.044 1.991 190 1HB TYR 28 2HB TYR 28 -6.165 5.625 1.468 191 2HB TYR 28 3HB TYR 28 -6.666 7.100 0.635 192 HD1 TYR 28 1HD TYR 28 -7.186 9.193 1.951 193 HD2 TYR 28 2HD TYR 28 -5.120 5.793 3.624 194 HE1 TYR 28 1HE TYR 28 -6.235 10.651 3.730 195 HE2 TYR 28 2HE TYR 28 -4.159 7.252 5.392 196 HH TYR 28 HH TYR 28 -4.877 10.770 5.568 197 H GLN 29 H GLN 29 -9.052 3.773 1.027 198 HA GLN 29 HA GLN 29 -9.746 2.702 -0.825 199 1HB GLN 29 2HB GLN 29 -11.278 5.286 -1.289 200 2HB GLN 29 3HB GLN 29 -11.583 3.769 -2.127 201 1HG GLN 29 2HG GLN 29 -11.797 4.109 0.897 202 2HG GLN 29 3HG GLN 29 -13.147 4.208 -0.236 203 1HE2 GLN 29 1HE2 GLN 29 -11.536 2.053 1.822 204 2HE2 GLN 29 2HE2 GLN 29 -12.115 0.570 1.053 205 H SER 30 H SER 30 -7.224 3.775 -1.068 206 HA SER 30 HA SER 30 -6.897 4.396 -3.978 207 1HB SER 30 2HB SER 30 -4.946 5.787 -3.184 208 2HB SER 30 3HB SER 30 -6.539 6.368 -2.655 209 HG SER 30 HG SER 30 -5.088 6.364 -0.934 210 H CYS 31 H CYS 31 -6.778 1.792 -2.523 211 HA CYS 31 HA CYS 31 -4.027 0.928 -2.305 212 1HB CYS 31 2HB CYS 31 -6.472 0.155 -1.278 213 2HB CYS 31 3HB CYS 31 -6.233 -1.068 -2.530 214 H CYS 32 H CYS 32 -3.124 -1.005 -3.456 215 HA CYS 32 HA CYS 32 -3.220 -1.068 -6.248 216 1HB CYS 32 2HB CYS 32 -2.652 -3.674 -5.739 217 2HB CYS 32 3HB CYS 32 -1.481 -2.376 -5.661 218 H THR 33 H THR 33 -4.179 -2.373 -7.772 219 HA THR 33 HA THR 33 -6.976 -2.570 -7.638 220 HB THR 33 HB THR 33 -6.765 -3.883 -9.792 221 HG1 THR 33 1HG THR 33 -4.681 -4.071 -10.623 222 1HG2 THR 33 1HG2 THR 33 -6.843 -1.405 -9.770 223 2HG2 THR 33 2HG2 THR 33 -5.073 -1.348 -9.615 224 3HG2 THR 33 3HG2 THR 33 -5.823 -2.028 -11.076 225 H ASP 34 H ASP 34 -4.743 -5.009 -6.583 226 HA ASP 34 HA ASP 34 -7.030 -6.702 -5.784 227 1HB ASP 34 2HB ASP 34 -6.127 -7.468 -8.023 228 2HB ASP 34 3HB ASP 34 -4.616 -7.872 -7.201 229 H TYR 35 H TYR 35 -5.530 -4.923 -4.217 230 HA TYR 35 HA TYR 35 -3.355 -5.633 -2.810 231 1HB TYR 35 2HB TYR 35 -4.534 -3.585 -2.275 232 2HB TYR 35 3HB TYR 35 -5.966 -4.486 -1.779 233 HD1 TYR 35 1HD TYR 35 -2.564 -3.412 -0.742 234 HD2 TYR 35 2HD TYR 35 -6.179 -5.461 0.436 235 HE1 TYR 35 1HE TYR 35 -1.830 -3.344 1.617 236 HE2 TYR 35 2HE TYR 35 -5.458 -5.337 2.815 237 HH TYR 35 HH TYR 35 -2.430 -3.701 3.786 238 H THR 36 H THR 36 -6.570 -6.955 -1.832 239 HA THR 36 HA THR 36 -5.550 -8.351 0.375 240 HB THR 36 HB THR 36 -8.044 -9.352 -0.971 241 HG1 THR 36 1HG THR 36 -9.149 -7.536 -0.247 242 1HG2 THR 36 1HG2 THR 36 -7.334 -8.508 1.885 243 2HG2 THR 36 2HG2 THR 36 -8.905 -9.168 1.368 244 3HG2 THR 36 3HG2 THR 36 -7.458 -10.180 1.294 245 H ALA 37 H ALA 37 -5.165 -9.272 -2.889 246 HA ALA 37 HA ALA 37 -4.297 -12.001 -2.026 247 1HB ALA 37 1HB ALA 37 -5.425 -11.177 -4.719 248 2HB ALA 37 2HB ALA 37 -4.873 -12.800 -4.259 249 3HB ALA 37 3HB ALA 37 -6.293 -12.092 -3.466 250 H GLU 38 H GLU 38 -3.228 -8.999 -3.415 251 HA GLU 38 HA GLU 38 -0.669 -10.305 -4.305 252 1HB GLU 38 2HB GLU 38 -1.877 -7.652 -5.161 253 2HB GLU 38 3HB GLU 38 -0.324 -8.339 -5.680 254 1HG GLU 38 2HG GLU 38 -1.639 -10.352 -6.531 255 2HG GLU 38 3HG GLU 38 -3.094 -9.390 -6.306 256 H CYS 39 H CYS 39 -1.877 -7.611 -2.254 257 HA CYS 39 HA CYS 39 0.958 -6.904 -1.621 258 1HB CYS 39 2HB CYS 39 -1.246 -4.967 -1.264 259 2HB CYS 39 3HB CYS 39 0.426 -4.651 -1.662 260 H LYS 40 H LYS 40 -1.796 -8.200 -0.306 261 HA LYS 40 HA LYS 40 -2.194 -7.286 2.194 262 1HB LYS 40 2HB LYS 40 -3.367 -9.102 1.084 263 2HB LYS 40 3HB LYS 40 -1.995 -10.186 1.350 264 1HG LYS 40 2HG LYS 40 -2.340 -10.133 3.761 265 2HG LYS 40 3HG LYS 40 -3.498 -8.793 3.613 266 1HD LYS 40 2HD LYS 40 -4.714 -10.866 4.000 267 2HD LYS 40 3HD LYS 40 -5.059 -10.237 2.388 268 1HE LYS 40 2HE LYS 40 -3.168 -11.858 1.579 269 2HE LYS 40 3HE LYS 40 -3.322 -12.614 3.169 270 1HZ LYS 40 1HZ LYS 40 -4.746 -13.704 1.542 271 2HZ LYS 40 2HZ LYS 40 -5.716 -12.950 2.622 272 3HZ LYS 40 3HZ LYS 40 -5.463 -12.292 1.133 273 HA PRO 41 HA PRO 41 1.807 -7.440 4.377 274 1HB PRO 41 2HB PRO 41 -0.227 -7.292 6.614 275 2HB PRO 41 3HB PRO 41 1.353 -6.452 6.476 276 1HG PRO 41 2HG PRO 41 -0.961 -5.166 5.860 277 2HG PRO 41 3HG PRO 41 0.501 -4.950 4.842 278 1HD PRO 41 2HD PRO 41 -1.949 -6.602 4.257 279 2HD PRO 41 3HD PRO 41 -0.889 -5.693 3.159 280 H GLN 42 H GLN 42 2.865 -8.757 5.980 281 HA GLN 42 HA GLN 42 2.655 -11.467 5.413 282 1HB GLN 42 2HB GLN 42 3.979 -10.083 7.778 283 2HB GLN 42 3HB GLN 42 4.201 -11.792 7.369 284 1HG GLN 42 2HG GLN 42 5.074 -11.137 5.124 285 2HG GLN 42 3HG GLN 42 4.984 -9.437 5.600 286 1HE2 GLN 42 2HE2 GLN 42 7.173 -11.960 5.350 287 2HE2 GLN 42 1HE2 GLN 42 8.262 -11.461 6.637 288 H VAL 43 H VAL 43 1.940 -13.258 6.309 289 HA VAL 43 HA VAL 43 0.394 -13.322 8.844 290 HB VAL 43 HB VAL 43 -1.323 -14.778 7.703 291 1HG1 VAL 43 1HG1 VAL 43 -1.776 -12.455 8.384 292 2HG1 VAL 43 2HG1 VAL 43 -1.257 -11.886 6.783 293 3HG1 VAL 43 3HG1 VAL 43 -2.683 -12.931 6.939 294 1HG2 VAL 43 1HG2 VAL 43 -1.726 -14.541 5.319 295 2HG2 VAL 43 2HG2 VAL 43 -0.316 -13.484 5.123 296 3HG2 VAL 43 3HG2 VAL 43 -0.100 -15.198 5.543 297 H THR 44 H THR 44 2.851 -14.033 8.920 298 HA THR 44 HA THR 44 3.813 -16.442 7.910 299 HB THR 44 HB THR 44 5.411 -16.402 9.856 300 HG1 THR 44 1HG THR 44 3.987 -15.420 11.375 301 1HG2 THR 44 1HG2 THR 44 5.816 -15.085 7.757 302 2HG2 THR 44 2HG2 THR 44 5.028 -13.687 8.518 303 3HG2 THR 44 3HG2 THR 44 6.524 -14.351 9.203 304 H ARG 45 H ARG 45 3.892 -18.523 8.473 305 HA ARG 45 HA ARG 45 1.874 -19.501 10.462 306 1HB ARG 45 2HB ARG 45 1.270 -19.613 8.125 307 2HB ARG 45 3HB ARG 45 2.720 -20.500 7.715 308 1HG ARG 45 2HG ARG 45 0.737 -21.654 9.709 309 2HG ARG 45 3HG ARG 45 0.361 -21.666 7.985 310 1HD ARG 45 2HD ARG 45 2.785 -23.003 9.247 311 2HD ARG 45 3HD ARG 45 1.329 -23.809 8.697 312 HE ARG 45 HE ARG 45 3.517 -22.678 7.050 313 1HH1 ARG 45 1HH2 ARG 45 0.239 -23.920 6.830 314 2HH1 ARG 45 2HH2 ARG 45 0.427 -24.311 5.142 315 1HH2 ARG 45 1HH1 ARG 45 3.745 -23.355 5.013 316 2HH2 ARG 45 2HH1 ARG 45 2.362 -23.952 4.119 317 H GLY 46 H GLY 46 5.232 -19.806 9.695 318 1HA GLY 46 2HA GLY 46 6.393 -20.848 11.746 319 2HA GLY 46 3HA GLY 46 5.505 -22.312 11.319 320 H ASP 47 H ASP 47 6.085 -21.215 8.376 321 HA ASP 47 HA ASP 47 8.784 -22.412 8.038 322 1HB ASP 47 2HB ASP 47 7.855 -23.692 6.199 323 2HB ASP 47 3HB ASP 47 6.894 -23.989 7.641 324 H VAL 48 H VAL 48 7.677 -19.555 7.915 325 HA VAL 48 HA VAL 48 9.253 -18.680 5.620 326 HB VAL 48 HB VAL 48 7.165 -19.017 4.486 327 1HG1 VAL 48 1HG1 VAL 48 5.543 -18.875 6.341 328 2HG1 VAL 48 2HG1 VAL 48 5.806 -17.117 6.433 329 3HG1 VAL 48 3HG1 VAL 48 5.099 -17.841 4.980 330 1HG2 VAL 48 1HG2 VAL 48 8.548 -17.056 3.871 331 2HG2 VAL 48 2HG2 VAL 48 6.827 -16.830 3.525 332 3HG2 VAL 48 3HG2 VAL 48 7.547 -16.033 4.934 333 H PHE 49 H PHE 49 10.358 -16.964 6.147 334 HA PHE 49 HA PHE 49 9.533 -15.086 8.301 335 1HB PHE 49 2HB PHE 49 12.113 -16.714 8.298 336 2HB PHE 49 3HB PHE 49 11.660 -15.483 9.480 337 HD1 PHE 49 1HD PHE 49 11.407 -18.990 8.588 338 HD2 PHE 49 2HD PHE 49 9.632 -15.868 10.977 339 HE1 PHE 49 1HE PHE 49 10.289 -20.702 10.000 340 HE2 PHE 49 2HE PHE 49 8.515 -17.584 12.386 341 HZ PHE 49 HZ PHE 49 8.847 -20.002 11.901 342 H THR 50 H THR 50 9.794 -14.759 5.423 343 HA THR 50 HA THR 50 12.151 -12.923 5.152 344 HB THR 50 HB THR 50 11.085 -14.809 3.018 345 HG1 THR 50 1HG THR 50 12.888 -16.062 3.463 346 1HG2 THR 50 1HG2 THR 50 13.315 -14.403 1.961 347 2HG2 THR 50 2HG2 THR 50 12.342 -12.937 2.053 348 3HG2 THR 50 3HG2 THR 50 13.669 -13.191 3.212 349 H MET 51 H MET 51 11.913 -11.148 3.828 350 HA MET 51 HA MET 51 9.366 -10.534 2.467 351 1HB MET 51 2HB MET 51 9.082 -9.739 4.808 352 2HB MET 51 3HB MET 51 10.544 -8.760 4.654 353 1HG MET 51 2HG MET 51 9.493 -7.452 2.853 354 2HG MET 51 3HG MET 51 8.043 -8.474 2.940 355 1HE MET 51 1HE MET 51 6.939 -4.926 4.284 356 2HE MET 51 2HE MET 51 8.181 -5.245 3.056 357 3HE MET 51 3HE MET 51 6.666 -6.175 3.047 Start of MODEL 2 1 1H ASP 1 1H ASP 1 7.085 -5.976 -17.610 2 2H ASP 1 2H ASP 1 6.565 -5.261 -18.987 3 3H ASP 1 3H ASP 1 7.958 -4.764 -18.282 4 HA ASP 1 HA ASP 1 6.756 -3.969 -16.347 5 1HB ASP 1 2HB ASP 1 7.263 -2.406 -18.191 6 2HB ASP 1 3HB ASP 1 5.743 -2.844 -18.992 7 H GLN 2 H GLN 2 5.009 -4.228 -15.052 8 HA GLN 2 HA GLN 2 2.358 -4.917 -16.177 9 1HB GLN 2 2HB GLN 2 3.805 -6.607 -14.085 10 2HB GLN 2 3HB GLN 2 2.079 -6.708 -14.446 11 1HG GLN 2 2HG GLN 2 2.653 -7.286 -16.826 12 2HG GLN 2 3HG GLN 2 4.353 -7.387 -16.356 13 1HE2 GLN 2 2HE2 GLN 2 2.076 -9.440 -17.195 14 2HE2 GLN 2 1HE2 GLN 2 2.330 -10.718 -16.007 15 H GLU 3 H GLU 3 0.681 -4.146 -14.985 16 HA GLU 3 HA GLU 3 1.228 -2.339 -12.722 17 1HB GLU 3 2HB GLU 3 -1.215 -1.838 -12.914 18 2HB GLU 3 3HB GLU 3 -0.209 -1.423 -14.304 19 1HG GLU 3 2HG GLU 3 -1.023 -3.345 -15.568 20 2HG GLU 3 3HG GLU 3 -1.959 -3.920 -14.195 21 H SER 4 H SER 4 2.009 -3.952 -11.253 22 HA SER 4 HA SER 4 -0.129 -5.116 -9.592 23 1HB SER 4 2HB SER 4 0.521 -7.348 -9.738 24 2HB SER 4 3HB SER 4 0.499 -6.809 -11.416 25 HG SER 4 HG SER 4 2.746 -6.634 -11.365 26 H CYS 5 H CYS 5 1.048 -6.444 -7.670 27 HA CYS 5 HA CYS 5 2.356 -4.390 -6.195 28 1HB CYS 5 2HB CYS 5 0.735 -6.192 -5.458 29 2HB CYS 5 3HB CYS 5 2.090 -7.326 -5.454 30 H LYS 6 H LYS 6 4.041 -6.180 -8.479 31 HA LYS 6 HA LYS 6 6.047 -7.362 -6.800 32 1HB LYS 6 2HB LYS 6 5.825 -6.837 -9.774 33 2HB LYS 6 3HB LYS 6 7.431 -7.099 -9.113 34 1HG LYS 6 2HG LYS 6 6.965 -9.184 -9.750 35 2HG LYS 6 3HG LYS 6 6.482 -9.282 -8.055 36 1HD LYS 6 2HD LYS 6 4.563 -8.755 -10.350 37 2HD LYS 6 3HD LYS 6 4.992 -10.383 -9.832 38 1HE LYS 6 2HE LYS 6 4.017 -10.094 -7.661 39 2HE LYS 6 3HE LYS 6 3.813 -8.357 -7.905 40 1HZ LYS 6 1HZ LYS 6 2.380 -10.456 -9.424 41 2HZ LYS 6 2HZ LYS 6 1.726 -9.463 -8.290 42 3HZ LYS 6 3HZ LYS 6 2.271 -8.832 -9.698 43 H GLY 7 H GLY 7 7.537 -6.414 -5.650 44 1HA GLY 7 2HA GLY 7 9.287 -5.001 -5.041 45 2HA GLY 7 3HA GLY 7 9.033 -4.021 -6.494 46 H ARG 8 H ARG 8 6.092 -4.482 -4.764 47 HA ARG 8 HA ARG 8 6.347 -1.789 -3.427 48 1HB ARG 8 2HB ARG 8 3.948 -2.889 -4.946 49 2HB ARG 8 3HB ARG 8 4.083 -1.329 -4.146 50 1HG ARG 8 2HG ARG 8 6.086 -0.876 -5.746 51 2HG ARG 8 3HG ARG 8 5.486 -2.276 -6.652 52 1HD ARG 8 2HD ARG 8 4.525 -0.364 -7.652 53 2HD ARG 8 3HD ARG 8 3.214 -1.129 -6.735 54 HE ARG 8 HE ARG 8 3.903 0.569 -4.862 55 1HH1 ARG 8 1HH2 ARG 8 4.103 1.523 -8.242 56 2HH1 ARG 8 2HH2 ARG 8 4.165 3.210 -7.812 57 1HH2 ARG 8 1HH1 ARG 8 4.005 2.525 -4.413 58 2HH2 ARG 8 2HH1 ARG 8 4.161 3.799 -5.627 59 H CYS 9 H CYS 9 5.018 -5.018 -3.032 60 HA CYS 9 HA CYS 9 3.022 -4.507 -1.233 61 1HB CYS 9 2HB CYS 9 4.852 -6.896 -0.916 62 2HB CYS 9 3HB CYS 9 3.120 -6.762 -0.563 63 H THR 10 H THR 10 2.751 -3.764 0.718 64 HA THR 10 HA THR 10 3.073 -2.719 2.639 65 HB THR 10 HB THR 10 5.259 -4.620 3.476 66 HG1 THR 10 1HG THR 10 3.635 -5.857 2.514 67 1HG2 THR 10 1HG2 THR 10 4.042 -4.518 5.630 68 2HG2 THR 10 2HG2 THR 10 4.508 -2.889 5.129 69 3HG2 THR 10 3HG2 THR 10 2.832 -3.432 4.914 70 H GLU 11 H GLU 11 4.424 -1.514 0.488 71 HA GLU 11 HA GLU 11 7.086 -0.704 1.182 72 1HB GLU 11 2HB GLU 11 6.804 1.058 -0.459 73 2HB GLU 11 3HB GLU 11 6.330 -0.500 -1.094 74 1HG GLU 11 2HG GLU 11 3.927 0.113 -0.829 75 2HG GLU 11 3HG GLU 11 4.395 1.642 -0.080 76 H GLY 12 H GLY 12 4.114 0.412 2.514 77 1HA GLY 12 2HA GLY 12 3.986 1.782 4.460 78 2HA GLY 12 3HA GLY 12 5.493 2.592 4.026 79 H PHE 13 H PHE 13 2.813 3.618 4.732 80 HA PHE 13 HA PHE 13 1.368 4.534 2.456 81 1HB PHE 13 2HB PHE 13 0.238 4.218 4.511 82 2HB PHE 13 3HB PHE 13 1.379 5.233 5.402 83 HD1 PHE 13 1HD PHE 13 -1.292 5.315 2.755 84 HD2 PHE 13 2HD PHE 13 0.945 7.549 5.699 85 HE1 PHE 13 1HE PHE 13 -2.838 7.228 2.491 86 HE2 PHE 13 2HE PHE 13 -0.593 9.471 5.410 87 HZ PHE 13 HZ PHE 13 -2.490 9.312 3.817 88 H ASN 14 H ASN 14 1.287 6.276 1.344 89 HA ASN 14 HA ASN 14 1.985 8.897 2.148 90 1HB ASN 14 2HB ASN 14 4.327 8.306 1.674 91 2HB ASN 14 3HB ASN 14 3.854 7.635 0.106 92 1HD2 ASN 14 2HD2 ASN 14 5.643 9.236 -0.551 93 2HD2 ASN 14 1HD2 ASN 14 5.082 10.865 -0.911 94 H VAL 15 H VAL 15 -0.068 9.382 1.500 95 HA VAL 15 HA VAL 15 -1.434 8.135 -0.564 96 HB VAL 15 HB VAL 15 -2.290 9.269 1.459 97 1HG1 VAL 15 1HG1 VAL 15 -2.446 11.754 -0.235 98 2HG1 VAL 15 2HG1 VAL 15 -3.114 11.488 1.399 99 3HG1 VAL 15 3HG1 VAL 15 -1.362 11.492 1.161 100 1HG2 VAL 15 1HG2 VAL 15 -3.709 8.164 -0.143 101 2HG2 VAL 15 2HG2 VAL 15 -4.493 9.555 0.612 102 3HG2 VAL 15 3HG2 VAL 15 -3.888 9.688 -1.055 103 H ASP 16 H ASP 16 0.883 10.535 -1.151 104 HA ASP 16 HA ASP 16 -0.175 11.433 -3.734 105 1HB ASP 16 2HB ASP 16 2.538 11.615 -2.395 106 2HB ASP 16 3HB ASP 16 2.224 12.223 -4.024 107 H LYS 17 H LYS 17 1.449 8.519 -2.694 108 HA LYS 17 HA LYS 17 2.748 7.826 -5.198 109 1HB LYS 17 2HB LYS 17 1.766 6.072 -2.905 110 2HB LYS 17 3HB LYS 17 2.748 5.504 -4.250 111 1HG LYS 17 2HG LYS 17 4.636 6.836 -3.554 112 2HG LYS 17 3HG LYS 17 3.680 7.633 -2.278 113 1HD LYS 17 2HD LYS 17 3.325 5.488 -1.136 114 2HD LYS 17 3HD LYS 17 4.113 4.622 -2.468 115 1HE LYS 17 2HE LYS 17 6.247 5.809 -1.954 116 2HE LYS 17 3HE LYS 17 5.468 6.578 -0.556 117 1HZ LYS 17 1HZ LYS 17 5.050 4.309 0.327 118 2HZ LYS 17 2HZ LYS 17 5.808 3.669 -0.993 119 3HZ LYS 17 3HZ LYS 17 6.659 4.558 0.093 120 H LYS 18 H LYS 18 2.127 6.416 -6.813 121 HA LYS 18 HA LYS 18 -0.573 6.413 -7.664 122 1HB LYS 18 2HB LYS 18 1.332 6.331 -9.177 123 2HB LYS 18 3HB LYS 18 1.779 4.726 -8.588 124 1HG LYS 18 2HG LYS 18 0.712 4.603 -10.776 125 2HG LYS 18 3HG LYS 18 -0.294 3.792 -9.566 126 1HD LYS 18 2HD LYS 18 -1.695 5.892 -9.418 127 2HD LYS 18 3HD LYS 18 -0.712 6.592 -10.721 128 1HE LYS 18 2HE LYS 18 -1.356 4.705 -12.212 129 2HE LYS 18 3HE LYS 18 -2.331 4.008 -10.911 130 1HZ LYS 18 1HZ LYS 18 -3.698 5.309 -12.438 131 2HZ LYS 18 2HZ LYS 18 -3.718 6.014 -10.967 132 3HZ LYS 18 3HZ LYS 18 -2.818 6.657 -12.172 133 H CYS 19 H CYS 19 1.059 4.024 -5.691 134 HA CYS 19 HA CYS 19 -1.584 2.677 -5.301 135 1HB CYS 19 2HB CYS 19 -0.249 1.087 -6.623 136 2HB CYS 19 3HB CYS 19 1.100 1.261 -5.492 137 H GLN 20 H GLN 20 -2.176 2.647 -3.267 138 HA GLN 20 HA GLN 20 -0.209 3.133 -1.085 139 1HB GLN 20 2HB GLN 20 -3.227 2.814 -1.052 140 2HB GLN 20 3HB GLN 20 -2.207 3.189 0.351 141 1HG GLN 20 2HG GLN 20 -2.827 4.944 -2.033 142 2HG GLN 20 3HG GLN 20 -3.127 5.255 -0.317 143 1HE2 GLN 20 2HE2 GLN 20 -1.078 6.142 -2.875 144 2HE2 GLN 20 1HE2 GLN 20 0.219 6.714 -1.817 145 H CYS 21 H CYS 21 0.858 1.179 -1.933 146 HA CYS 21 HA CYS 21 -0.398 -1.448 -1.543 147 1HB CYS 21 2HB CYS 21 2.322 -0.437 -2.424 148 2HB CYS 21 3HB CYS 21 1.985 -2.148 -2.191 149 H ASP 22 H ASP 22 -0.746 -0.322 0.797 150 HA ASP 22 HA ASP 22 1.248 -1.398 2.720 151 1HB ASP 22 2HB ASP 22 1.537 0.792 3.764 152 2HB ASP 22 3HB ASP 22 1.989 0.868 2.061 153 H GLU 23 H GLU 23 0.595 -0.563 5.010 154 HA GLU 23 HA GLU 23 -1.670 -2.062 5.791 155 1HB GLU 23 2HB GLU 23 -0.042 -0.067 7.413 156 2HB GLU 23 3HB GLU 23 -1.005 -1.409 8.036 157 1HG GLU 23 2HG GLU 23 0.521 -2.998 6.802 158 2HG GLU 23 3HG GLU 23 1.540 -1.624 6.358 159 H LEU 24 H LEU 24 -1.727 1.295 4.846 160 HA LEU 24 HA LEU 24 -4.147 1.848 6.555 161 1HB LEU 24 2HB LEU 24 -2.015 3.728 5.481 162 2HB LEU 24 3HB LEU 24 -3.434 4.218 6.397 163 HG LEU 24 HG LEU 24 -1.177 2.471 7.469 164 1HD1 LEU 24 1HD1 LEU 24 -0.626 4.444 8.824 165 2HD1 LEU 24 2HD1 LEU 24 -0.531 4.823 7.098 166 3HD1 LEU 24 3HD1 LEU 24 -1.932 5.366 8.044 167 1HD2 LEU 24 1HD2 LEU 24 -3.286 1.925 8.611 168 2HD2 LEU 24 2HD2 LEU 24 -2.253 2.874 9.681 169 3HD2 LEU 24 3HD2 LEU 24 -3.626 3.652 8.860 170 H CYS 25 H CYS 25 -3.413 1.096 3.431 171 HA CYS 25 HA CYS 25 -4.506 3.156 1.900 172 1HB CYS 25 2HB CYS 25 -4.420 1.588 0.129 173 2HB CYS 25 3HB CYS 25 -3.079 1.252 1.244 174 H SER 26 H SER 26 -6.324 0.504 3.455 175 HA SER 26 HA SER 26 -8.668 0.766 1.816 176 1HB SER 26 2HB SER 26 -9.700 -0.742 3.404 177 2HB SER 26 3HB SER 26 -8.068 -1.287 3.003 178 HG SER 26 HG SER 26 -8.488 -1.360 5.280 179 H TYR 27 H TYR 27 -7.672 2.331 4.789 180 HA TYR 27 HA TYR 27 -10.095 3.738 5.432 181 1HB TYR 27 2HB TYR 27 -8.515 3.489 7.118 182 2HB TYR 27 3HB TYR 27 -7.172 3.922 6.095 183 HD1 TYR 27 1HD TYR 27 -6.170 5.969 6.288 184 HD2 TYR 27 2HD TYR 27 -10.230 5.483 7.656 185 HE1 TYR 27 1HE TYR 27 -6.120 8.273 7.210 186 HE2 TYR 27 2HE TYR 27 -10.179 7.793 8.606 187 HH TYR 27 HH TYR 27 -7.283 9.893 8.359 188 H TYR 28 H TYR 28 -7.787 4.215 2.866 189 HA TYR 28 HA TYR 28 -9.055 6.823 2.111 190 1HB TYR 28 2HB TYR 28 -6.365 5.585 1.448 191 2HB TYR 28 3HB TYR 28 -7.012 7.007 0.626 192 HD1 TYR 28 1HD TYR 28 -5.250 5.825 3.565 193 HD2 TYR 28 2HD TYR 28 -7.497 9.113 1.902 194 HE1 TYR 28 1HE TYR 28 -4.252 7.363 5.247 195 HE2 TYR 28 2HE TYR 28 -6.507 10.648 3.590 196 HH TYR 28 HH TYR 28 -5.079 10.856 5.367 197 H GLN 29 H GLN 29 -9.330 3.583 1.398 198 HA GLN 29 HA GLN 29 -9.916 2.284 -0.339 199 1HB GLN 29 2HB GLN 29 -11.532 4.689 -1.265 200 2HB GLN 29 3HB GLN 29 -11.774 3.004 -1.711 201 1HG GLN 29 2HG GLN 29 -13.404 3.309 -0.109 202 2HG GLN 29 3HG GLN 29 -12.114 2.529 0.809 203 1HE2 GLN 29 2HE2 GLN 29 -11.612 3.554 2.761 204 2HE2 GLN 29 1HE2 GLN 29 -12.004 5.243 3.112 205 H SER 30 H SER 30 -7.400 3.424 -0.712 206 HA SER 30 HA SER 30 -7.181 3.828 -3.674 207 1HB SER 30 2HB SER 30 -5.346 5.411 -3.121 208 2HB SER 30 3HB SER 30 -6.928 5.902 -2.476 209 HG SER 30 HG SER 30 -5.312 6.112 -0.904 210 H CYS 31 H CYS 31 -6.740 1.369 -1.875 211 HA CYS 31 HA CYS 31 -4.013 0.554 -1.995 212 1HB CYS 31 2HB CYS 31 -6.458 -1.219 -2.284 213 2HB CYS 31 3HB CYS 31 -4.872 -1.612 -1.600 214 H CYS 32 H CYS 32 -3.015 -1.085 -3.424 215 HA CYS 32 HA CYS 32 -3.177 -0.962 -6.154 216 1HB CYS 32 2HB CYS 32 -2.657 -3.658 -5.774 217 2HB CYS 32 3HB CYS 32 -1.468 -2.371 -5.765 218 H THR 33 H THR 33 -3.979 -2.237 -7.804 219 HA THR 33 HA THR 33 -6.673 -2.439 -8.080 220 HB THR 33 HB THR 33 -4.744 -4.235 -9.584 221 HG1 THR 33 1HG THR 33 -4.351 -2.408 -10.860 222 1HG2 THR 33 1HG2 THR 33 -7.246 -2.715 -10.456 223 2HG2 THR 33 2HG2 THR 33 -6.156 -3.607 -11.542 224 3HG2 THR 33 3HG2 THR 33 -7.081 -4.481 -10.318 225 H ASP 34 H ASP 34 -4.706 -5.045 -6.742 226 HA ASP 34 HA ASP 34 -7.183 -6.555 -6.101 227 1HB ASP 34 2HB ASP 34 -6.101 -7.435 -8.213 228 2HB ASP 34 3HB ASP 34 -4.679 -7.852 -7.245 229 H TYR 35 H TYR 35 -5.575 -4.804 -4.495 230 HA TYR 35 HA TYR 35 -3.523 -5.531 -3.004 231 1HB TYR 35 2HB TYR 35 -4.621 -3.448 -2.630 232 2HB TYR 35 3HB TYR 35 -6.113 -4.236 -2.114 233 HD1 TYR 35 1HD TYR 35 -6.445 -5.005 0.167 234 HD2 TYR 35 2HD TYR 35 -2.688 -3.264 -1.045 235 HE1 TYR 35 1HE TYR 35 -5.790 -4.711 2.552 236 HE2 TYR 35 2HE TYR 35 -2.026 -3.015 1.315 237 HH TYR 35 HH TYR 35 -2.767 -3.038 3.462 238 H THR 36 H THR 36 -6.774 -6.724 -1.988 239 HA THR 36 HA THR 36 -5.827 -8.006 0.324 240 HB THR 36 HB THR 36 -8.303 -9.028 -1.050 241 HG1 THR 36 1HG THR 36 -9.394 -7.177 -0.392 242 1HG2 THR 36 1HG2 THR 36 -9.217 -8.781 1.264 243 2HG2 THR 36 2HG2 THR 36 -7.784 -9.815 1.246 244 3HG2 THR 36 3HG2 THR 36 -7.647 -8.135 1.804 245 H ALA 37 H ALA 37 -5.403 -9.126 -2.888 246 HA ALA 37 HA ALA 37 -4.481 -11.760 -1.790 247 1HB ALA 37 1HB ALA 37 -5.608 -11.189 -4.557 248 2HB ALA 37 2HB ALA 37 -4.966 -12.744 -3.986 249 3HB ALA 37 3HB ALA 37 -6.432 -12.069 -3.250 250 H GLU 38 H GLU 38 -3.728 -9.023 -3.955 251 HA GLU 38 HA GLU 38 -1.153 -10.177 -4.762 252 1HB GLU 38 2HB GLU 38 -2.878 -7.881 -5.507 253 2HB GLU 38 3HB GLU 38 -1.170 -7.486 -5.529 254 1HG GLU 38 2HG GLU 38 -2.270 -9.949 -6.922 255 2HG GLU 38 3HG GLU 38 -2.181 -8.363 -7.695 256 H CYS 39 H CYS 39 -2.150 -7.654 -2.409 257 HA CYS 39 HA CYS 39 0.740 -7.129 -1.874 258 1HB CYS 39 2HB CYS 39 -1.330 -5.062 -1.354 259 2HB CYS 39 3HB CYS 39 0.367 -4.882 -1.802 260 H LYS 40 H LYS 40 -2.044 -8.276 -0.356 261 HA LYS 40 HA LYS 40 -2.430 -7.189 2.009 262 1HB LYS 40 2HB LYS 40 -3.512 -9.242 1.113 263 2HB LYS 40 3HB LYS 40 -2.166 -10.191 1.745 264 1HG LYS 40 2HG LYS 40 -2.748 -9.014 4.041 265 2HG LYS 40 3HG LYS 40 -4.279 -8.611 3.255 266 1HD LYS 40 2HD LYS 40 -3.124 -11.398 3.730 267 2HD LYS 40 3HD LYS 40 -4.445 -10.639 4.628 268 1HE LYS 40 2HE LYS 40 -5.802 -10.551 2.534 269 2HE LYS 40 3HE LYS 40 -4.492 -11.358 1.668 270 1HZ LYS 40 1HZ LYS 40 -4.773 -13.272 3.150 271 2HZ LYS 40 2HZ LYS 40 -5.997 -12.532 3.944 272 3HZ LYS 40 3HZ LYS 40 -6.170 -12.944 2.374 273 HA PRO 41 HA PRO 41 1.598 -7.130 4.203 274 1HB PRO 41 2HB PRO 41 -0.314 -5.903 6.199 275 2HB PRO 41 3HB PRO 41 1.360 -5.405 5.791 276 1HG PRO 41 2HG PRO 41 -0.758 -4.052 4.776 277 2HG PRO 41 3HG PRO 41 0.642 -4.442 3.722 278 1HD PRO 41 2HD PRO 41 -2.030 -5.859 3.893 279 2HD PRO 41 3HD PRO 41 -1.064 -5.427 2.460 280 H GLN 42 H GLN 42 2.411 -8.102 6.174 281 HA GLN 42 HA GLN 42 1.198 -10.592 6.945 282 1HB GLN 42 2HB GLN 42 3.437 -8.963 8.209 283 2HB GLN 42 3HB GLN 42 2.977 -10.591 8.731 284 1HG GLN 42 2HG GLN 42 3.984 -9.898 5.932 285 2HG GLN 42 3HG GLN 42 4.976 -10.520 7.242 286 1HE2 GLN 42 2HE2 GLN 42 5.121 -12.778 7.503 287 2HE2 GLN 42 1HE2 GLN 42 4.059 -13.891 6.627 288 H VAL 43 H VAL 43 -0.463 -10.936 8.219 289 HA VAL 43 HA VAL 43 -1.690 -8.923 9.901 290 HB VAL 43 HB VAL 43 -2.180 -11.926 9.685 291 1HG1 VAL 43 1HG1 VAL 43 -4.429 -11.410 10.630 292 2HG1 VAL 43 2HG1 VAL 43 -3.144 -11.123 11.795 293 3HG1 VAL 43 3HG1 VAL 43 -3.900 -9.746 10.956 294 1HG2 VAL 43 1HG2 VAL 43 -4.119 -11.258 8.292 295 2HG2 VAL 43 2HG2 VAL 43 -3.627 -9.555 8.413 296 3HG2 VAL 43 3HG2 VAL 43 -2.608 -10.727 7.554 297 H THR 44 H THR 44 -1.632 -8.660 12.082 298 HA THR 44 HA THR 44 0.510 -9.810 13.681 299 HB THR 44 HB THR 44 -0.053 -7.475 13.835 300 HG1 THR 44 1HG THR 44 0.887 -8.280 15.620 301 1HG2 THR 44 1HG2 THR 44 -1.988 -6.590 14.961 302 2HG2 THR 44 2HG2 THR 44 -2.500 -7.492 13.532 303 3HG2 THR 44 3HG2 THR 44 -2.695 -8.201 15.148 304 H ARG 45 H ARG 45 -0.610 -11.973 12.983 305 HA ARG 45 HA ARG 45 -3.009 -12.889 14.187 306 1HB ARG 45 2HB ARG 45 -1.982 -13.825 12.187 307 2HB ARG 45 3HB ARG 45 -0.611 -14.432 13.106 308 1HG ARG 45 2HG ARG 45 -3.383 -15.336 13.902 309 2HG ARG 45 3HG ARG 45 -2.690 -15.965 12.399 310 1HD ARG 45 2HD ARG 45 -0.795 -16.902 13.510 311 2HD ARG 45 3HD ARG 45 -1.219 -16.147 15.055 312 HE ARG 45 HE ARG 45 -3.444 -17.652 14.447 313 1HH1 ARG 45 1HH2 ARG 45 -0.054 -18.455 14.910 314 2HH1 ARG 45 2HH2 ARG 45 -0.440 -20.077 15.448 315 1HH2 ARG 45 1HH1 ARG 45 -3.845 -19.722 15.129 316 2HH2 ARG 45 2HH1 ARG 45 -2.524 -20.760 15.581 317 H GLY 46 H GLY 46 0.230 -12.956 15.526 318 1HA GLY 46 2HA GLY 46 -0.043 -12.863 18.110 319 2HA GLY 46 3HA GLY 46 -0.675 -14.503 17.927 320 H ASP 47 H ASP 47 1.196 -15.230 15.795 321 HA ASP 47 HA ASP 47 3.827 -15.286 17.195 322 1HB ASP 47 2HB ASP 47 4.042 -17.588 16.744 323 2HB ASP 47 3HB ASP 47 2.403 -17.396 17.367 324 H VAL 48 H VAL 48 2.539 -13.840 14.806 325 HA VAL 48 HA VAL 48 4.953 -13.537 13.232 326 HB VAL 48 HB VAL 48 3.936 -15.398 12.025 327 1HG1 VAL 48 1HG1 VAL 48 1.568 -15.127 12.571 328 2HG1 VAL 48 2HG1 VAL 48 1.488 -13.642 11.591 329 3HG1 VAL 48 3HG1 VAL 48 1.810 -15.210 10.824 330 1HG2 VAL 48 1HG2 VAL 48 5.158 -13.653 10.754 331 2HG2 VAL 48 2HG2 VAL 48 3.929 -14.492 9.801 332 3HG2 VAL 48 3HG2 VAL 48 3.605 -12.855 10.392 333 H PHE 49 H PHE 49 4.978 -11.527 12.177 334 HA PHE 49 HA PHE 49 2.762 -9.636 12.262 335 1HB PHE 49 2HB PHE 49 3.216 -9.633 14.633 336 2HB PHE 49 3HB PHE 49 4.958 -9.576 14.364 337 HD1 PHE 49 1HD PHE 49 2.135 -7.440 13.002 338 HD2 PHE 49 2HD PHE 49 5.770 -7.622 15.320 339 HE1 PHE 49 1HE PHE 49 2.083 -4.976 13.285 340 HE2 PHE 49 2HE PHE 49 5.715 -5.158 15.595 341 HZ PHE 49 HZ PHE 49 3.872 -3.830 14.579 342 H THR 50 H THR 50 6.345 -9.931 12.203 343 HA THR 50 HA THR 50 6.490 -7.903 10.013 344 HB THR 50 HB THR 50 6.741 -6.865 12.239 345 HG1 THR 50 1HG THR 50 9.037 -6.873 10.602 346 1HG2 THR 50 1HG2 THR 50 7.873 -8.655 13.495 347 2HG2 THR 50 2HG2 THR 50 9.328 -8.456 12.493 348 3HG2 THR 50 3HG2 THR 50 8.778 -7.138 13.546 349 H MET 51 H MET 51 6.823 -10.869 10.064 350 HA MET 51 HA MET 51 9.442 -11.117 8.695 351 1HB MET 51 2HB MET 51 8.497 -12.908 10.980 352 2HB MET 51 3HB MET 51 9.838 -13.280 9.892 353 1HG MET 51 2HG MET 51 11.023 -11.238 10.628 354 2HG MET 51 3HG MET 51 9.703 -10.889 11.762 355 1HE MET 51 1HE MET 51 12.628 -11.860 14.151 356 2HE MET 51 2HE MET 51 12.762 -10.993 12.605 357 3HE MET 51 3HE MET 51 11.420 -10.631 13.715 Start of MODEL 3 1 1H ASP 1 1H ASP 1 0.596 -3.661 -18.314 2 2H ASP 1 2H ASP 1 0.032 -4.981 -19.111 3 3H ASP 1 3H ASP 1 -1.009 -3.811 -18.600 4 HA ASP 1 HA ASP 1 -1.202 -5.680 -17.148 5 1HB ASP 1 2HB ASP 1 1.811 -5.355 -16.820 6 2HB ASP 1 3HB ASP 1 0.784 -6.362 -15.783 7 H GLN 2 H GLN 2 -1.721 -5.398 -14.964 8 HA GLN 2 HA GLN 2 -1.950 -2.656 -14.094 9 1HB GLN 2 2HB GLN 2 -3.302 -3.470 -12.398 10 2HB GLN 2 3HB GLN 2 -3.650 -4.503 -13.763 11 1HG GLN 2 2HG GLN 2 -1.913 -5.221 -11.347 12 2HG GLN 2 3HG GLN 2 -3.566 -5.730 -11.613 13 1HE2 GLN 2 2HE2 GLN 2 -1.351 -7.535 -11.152 14 2HE2 GLN 2 1HE2 GLN 2 -1.200 -8.494 -12.621 15 H GLU 3 H GLU 3 -1.359 -1.869 -11.940 16 HA GLU 3 HA GLU 3 1.415 -2.245 -11.242 17 1HB GLU 3 2HB GLU 3 -0.847 -0.758 -9.833 18 2HB GLU 3 3HB GLU 3 0.856 -0.720 -9.363 19 1HG GLU 3 2HG GLU 3 0.441 1.262 -10.575 20 2HG GLU 3 3HG GLU 3 1.474 0.227 -11.552 21 H SER 4 H SER 4 1.392 -4.596 -10.916 22 HA SER 4 HA SER 4 0.290 -5.742 -8.481 23 1HB SER 4 2HB SER 4 0.987 -7.109 -10.447 24 2HB SER 4 3HB SER 4 2.677 -6.639 -10.153 25 HG SER 4 HG SER 4 1.067 -8.488 -8.845 26 H CYS 5 H CYS 5 1.614 -6.553 -6.732 27 HA CYS 5 HA CYS 5 3.520 -4.467 -5.723 28 1HB CYS 5 2HB CYS 5 1.168 -4.482 -4.905 29 2HB CYS 5 3HB CYS 5 1.404 -6.136 -4.341 30 H LYS 6 H LYS 6 3.483 -7.738 -6.579 31 HA LYS 6 HA LYS 6 4.646 -8.936 -4.252 32 1HB LYS 6 2HB LYS 6 4.424 -9.919 -7.111 33 2HB LYS 6 3HB LYS 6 4.960 -10.907 -5.730 34 1HG LYS 6 2HG LYS 6 2.826 -10.254 -4.524 35 2HG LYS 6 3HG LYS 6 2.263 -9.510 -6.032 36 1HD LYS 6 2HD LYS 6 2.926 -12.436 -5.622 37 2HD LYS 6 3HD LYS 6 1.320 -11.700 -5.643 38 1HE LYS 6 2HE LYS 6 1.968 -10.841 -8.022 39 2HE LYS 6 3HE LYS 6 3.287 -12.024 -7.937 40 1HZ LYS 6 1HZ LYS 6 1.407 -13.087 -8.935 41 2HZ LYS 6 2HZ LYS 6 1.487 -13.696 -7.401 42 3HZ LYS 6 3HZ LYS 6 0.376 -12.521 -7.796 43 H GLY 7 H GLY 7 6.293 -7.936 -3.541 44 1HA GLY 7 2HA GLY 7 8.872 -8.224 -3.603 45 2HA GLY 7 3HA GLY 7 8.743 -7.430 -5.182 46 H ARG 8 H ARG 8 6.387 -5.940 -3.385 47 HA ARG 8 HA ARG 8 8.183 -3.726 -2.427 48 1HB ARG 8 2HB ARG 8 5.577 -3.531 -4.000 49 2HB ARG 8 3HB ARG 8 6.536 -2.189 -3.388 50 1HG ARG 8 2HG ARG 8 8.446 -2.970 -4.850 51 2HG ARG 8 3HG ARG 8 7.300 -4.093 -5.612 52 1HD ARG 8 2HD ARG 8 6.989 -1.055 -5.435 53 2HD ARG 8 3HD ARG 8 7.543 -1.947 -6.855 54 HE ARG 8 HE ARG 8 5.369 -2.889 -7.162 55 1HH1 ARG 8 1HH2 ARG 8 5.209 -0.456 -4.538 56 2HH1 ARG 8 2HH2 ARG 8 3.558 -0.129 -4.936 57 1HH2 ARG 8 1HH1 ARG 8 3.246 -2.499 -7.384 58 2HH2 ARG 8 2HH1 ARG 8 2.469 -1.251 -6.444 59 H CYS 9 H CYS 9 5.014 -5.333 -1.921 60 HA CYS 9 HA CYS 9 3.674 -3.555 -0.523 61 1HB CYS 9 2HB CYS 9 3.760 -6.434 0.394 62 2HB CYS 9 3HB CYS 9 2.378 -5.327 0.360 63 H THR 10 H THR 10 3.207 -2.861 1.444 64 HA THR 10 HA THR 10 3.525 -2.032 3.517 65 HB THR 10 HB THR 10 5.496 -4.173 4.312 66 HG1 THR 10 1HG THR 10 2.667 -4.413 4.166 67 1HG2 THR 10 1HG2 THR 10 4.926 -2.474 6.034 68 2HG2 THR 10 2HG2 THR 10 3.201 -2.792 5.780 69 3HG2 THR 10 3HG2 THR 10 4.256 -4.050 6.456 70 H GLU 11 H GLU 11 5.319 -1.410 1.180 71 HA GLU 11 HA GLU 11 7.808 -0.416 2.193 72 1HB GLU 11 2HB GLU 11 7.761 1.080 0.229 73 2HB GLU 11 3HB GLU 11 7.561 -0.613 -0.163 74 1HG GLU 11 2HG GLU 11 5.133 -0.280 -0.506 75 2HG GLU 11 3HG GLU 11 5.285 1.416 -0.012 76 H GLY 12 H GLY 12 4.615 0.741 2.762 77 1HA GLY 12 2HA GLY 12 4.340 2.262 4.642 78 2HA GLY 12 3HA GLY 12 5.666 3.255 4.031 79 H PHE 13 H PHE 13 3.121 4.182 4.723 80 HA PHE 13 HA PHE 13 1.355 4.615 2.487 81 1HB PHE 13 2HB PHE 13 0.493 4.642 4.689 82 2HB PHE 13 3HB PHE 13 1.721 5.782 5.258 83 HD1 PHE 13 1HD PHE 13 -1.121 5.514 2.789 84 HD2 PHE 13 2HD PHE 13 1.170 8.034 5.450 85 HE1 PHE 13 1HE PHE 13 -2.717 7.373 2.425 86 HE2 PHE 13 2HE PHE 13 -0.424 9.898 5.063 87 HZ PHE 13 HZ PHE 13 -2.369 9.566 3.560 88 H ASN 14 H ASN 14 1.226 6.171 1.009 89 HA ASN 14 HA ASN 14 2.338 8.812 1.309 90 1HB ASN 14 2HB ASN 14 4.393 7.502 0.643 91 2HB ASN 14 3HB ASN 14 3.606 7.103 -0.887 92 1HD2 ASN 14 2HD2 ASN 14 6.058 8.483 -0.736 93 2HD2 ASN 14 1HD2 ASN 14 5.798 10.162 -1.207 94 H VAL 15 H VAL 15 0.092 9.231 1.040 95 HA VAL 15 HA VAL 15 -1.555 8.121 -0.889 96 HB VAL 15 HB VAL 15 -2.071 9.342 1.251 97 1HG1 VAL 15 1HG1 VAL 15 -1.212 11.566 0.689 98 2HG1 VAL 15 2HG1 VAL 15 -2.517 11.740 -0.515 99 3HG1 VAL 15 3HG1 VAL 15 -2.904 11.553 1.214 100 1HG2 VAL 15 1HG2 VAL 15 -4.377 9.624 0.689 101 2HG2 VAL 15 2HG2 VAL 15 -3.993 9.646 -1.047 102 3HG2 VAL 15 3HG2 VAL 15 -3.716 8.175 -0.076 103 H ASP 16 H ASP 16 0.768 10.445 -1.670 104 HA ASP 16 HA ASP 16 -0.456 11.617 -4.023 105 1HB ASP 16 2HB ASP 16 1.472 12.572 -2.816 106 2HB ASP 16 3HB ASP 16 2.431 11.140 -3.221 107 H LYS 17 H LYS 17 0.927 8.449 -3.391 108 HA LYS 17 HA LYS 17 1.683 8.007 -6.212 109 1HB LYS 17 2HB LYS 17 2.026 6.130 -3.846 110 2HB LYS 17 3HB LYS 17 2.855 6.060 -5.408 111 1HG LYS 17 2HG LYS 17 3.207 8.139 -3.218 112 2HG LYS 17 3HG LYS 17 4.376 6.925 -3.744 113 1HD LYS 17 2HD LYS 17 4.683 8.078 -5.885 114 2HD LYS 17 3HD LYS 17 3.384 9.230 -5.488 115 1HE LYS 17 2HE LYS 17 4.687 9.898 -3.438 116 2HE LYS 17 3HE LYS 17 6.050 8.945 -4.058 117 1HZ LYS 17 1HZ LYS 17 5.951 10.379 -6.078 118 2HZ LYS 17 2HZ LYS 17 4.724 11.249 -5.408 119 3HZ LYS 17 3HZ LYS 17 6.217 11.277 -4.738 120 H LYS 18 H LYS 18 1.285 6.112 -7.357 121 HA LYS 18 HA LYS 18 -1.467 5.822 -7.927 122 1HB LYS 18 2HB LYS 18 1.089 4.639 -8.967 123 2HB LYS 18 3HB LYS 18 -0.395 3.774 -9.353 124 1HG LYS 18 2HG LYS 18 0.064 5.265 -11.144 125 2HG LYS 18 3HG LYS 18 -1.383 5.839 -10.295 126 1HD LYS 18 2HD LYS 18 0.063 7.507 -9.079 127 2HD LYS 18 3HD LYS 18 1.442 6.994 -10.060 128 1HE LYS 18 2HE LYS 18 -1.176 8.163 -11.124 129 2HE LYS 18 3HE LYS 18 0.311 9.079 -10.875 130 1HZ LYS 18 1HZ LYS 18 0.005 6.822 -12.784 131 2HZ LYS 18 2HZ LYS 18 0.114 8.398 -13.178 132 3HZ LYS 18 3HZ LYS 18 1.399 7.639 -12.523 133 H CYS 19 H CYS 19 0.369 3.858 -5.740 134 HA CYS 19 HA CYS 19 -2.169 2.479 -5.084 135 1HB CYS 19 2HB CYS 19 -1.241 0.351 -4.793 136 2HB CYS 19 3HB CYS 19 -0.752 0.839 -6.417 137 H GLN 20 H GLN 20 -2.524 2.280 -2.972 138 HA GLN 20 HA GLN 20 -0.365 3.052 -1.047 139 1HB GLN 20 2HB GLN 20 -3.349 2.692 -0.662 140 2HB GLN 20 3HB GLN 20 -2.196 3.152 0.600 141 1HG GLN 20 2HG GLN 20 -3.044 4.762 -1.830 142 2HG GLN 20 3HG GLN 20 -3.241 5.183 -0.128 143 1HE2 GLN 20 2HE2 GLN 20 -1.339 5.832 -2.906 144 2HE2 GLN 20 1HE2 GLN 20 0.031 6.487 -2.011 145 H CYS 21 H CYS 21 0.705 1.177 -1.861 146 HA CYS 21 HA CYS 21 -0.328 -1.518 -1.378 147 1HB CYS 21 2HB CYS 21 2.395 -0.406 -2.214 148 2HB CYS 21 3HB CYS 21 1.988 -2.110 -2.055 149 H ASP 22 H ASP 22 -0.638 -0.241 0.964 150 HA ASP 22 HA ASP 22 1.358 -1.294 2.878 151 1HB ASP 22 2HB ASP 22 1.800 0.899 3.821 152 2HB ASP 22 3HB ASP 22 2.163 0.946 2.093 153 H GLU 23 H GLU 23 0.751 -0.307 5.130 154 HA GLU 23 HA GLU 23 -1.487 -1.765 5.997 155 1HB GLU 23 2HB GLU 23 0.031 0.364 7.549 156 2HB GLU 23 3HB GLU 23 -0.833 -1.033 8.197 157 1HG GLU 23 2HG GLU 23 0.826 -2.518 6.978 158 2HG GLU 23 3HG GLU 23 1.747 -1.063 6.561 159 H LEU 24 H LEU 24 -1.515 1.600 5.005 160 HA LEU 24 HA LEU 24 -3.959 2.184 6.664 161 1HB LEU 24 2HB LEU 24 -1.956 4.062 5.363 162 2HB LEU 24 3HB LEU 24 -3.332 4.539 6.353 163 HG LEU 24 HG LEU 24 -0.892 2.984 7.319 164 1HD1 LEU 24 1HD1 LEU 24 -1.871 5.804 7.928 165 2HD1 LEU 24 2HD1 LEU 24 -0.426 5.017 8.603 166 3HD1 LEU 24 3HD1 LEU 24 -0.505 5.387 6.874 167 1HD2 LEU 24 1HD2 LEU 24 -2.846 2.262 8.615 168 2HD2 LEU 24 2HD2 LEU 24 -1.850 3.337 9.595 169 3HD2 LEU 24 3HD2 LEU 24 -3.345 3.952 8.856 170 H CYS 25 H CYS 25 -3.386 1.125 3.665 171 HA CYS 25 HA CYS 25 -4.406 2.969 1.893 172 1HB CYS 25 2HB CYS 25 -4.389 1.234 0.355 173 2HB CYS 25 3HB CYS 25 -3.143 0.850 1.547 174 H SER 26 H SER 26 -6.402 0.645 3.736 175 HA SER 26 HA SER 26 -8.757 1.033 2.111 176 1HB SER 26 2HB SER 26 -9.865 -0.337 3.802 177 2HB SER 26 3HB SER 26 -8.327 -1.044 3.294 178 HG SER 26 HG SER 26 -8.578 -1.071 5.588 179 H TYR 27 H TYR 27 -7.567 2.576 5.039 180 HA TYR 27 HA TYR 27 -9.884 4.131 5.719 181 1HB TYR 27 2HB TYR 27 -8.229 3.847 7.347 182 2HB TYR 27 3HB TYR 27 -6.927 4.256 6.257 183 HD1 TYR 27 1HD TYR 27 -5.911 6.302 6.408 184 HD2 TYR 27 2HD TYR 27 -9.949 5.870 7.856 185 HE1 TYR 27 1HE TYR 27 -5.860 8.650 7.200 186 HE2 TYR 27 2HE TYR 27 -9.894 8.226 8.683 187 HH TYR 27 HH TYR 27 -7.021 10.331 8.264 188 H TYR 28 H TYR 28 -7.539 4.481 3.136 189 HA TYR 28 HA TYR 28 -8.773 7.076 2.291 190 1HB TYR 28 2HB TYR 28 -6.144 5.731 1.570 191 2HB TYR 28 3HB TYR 28 -6.773 7.156 0.742 192 HD1 TYR 28 1HD TYR 28 -4.996 5.981 3.681 193 HD2 TYR 28 2HD TYR 28 -7.163 9.301 1.980 194 HE1 TYR 28 1HE TYR 28 -3.949 7.513 5.333 195 HE2 TYR 28 2HE TYR 28 -6.121 10.836 3.640 196 HH TYR 28 HH TYR 28 -4.672 11.036 5.397 197 H GLN 29 H GLN 29 -9.363 3.887 1.771 198 HA GLN 29 HA GLN 29 -10.000 2.519 0.085 199 1HB GLN 29 2HB GLN 29 -11.424 5.005 -0.950 200 2HB GLN 29 3HB GLN 29 -11.800 3.328 -1.332 201 1HG GLN 29 2HG GLN 29 -13.404 3.850 0.249 202 2HG GLN 29 3HG GLN 29 -12.196 2.964 1.185 203 1HE2 GLN 29 2HE2 GLN 29 -11.566 3.975 3.107 204 2HE2 GLN 29 1HE2 GLN 29 -11.793 5.699 3.427 205 H SER 30 H SER 30 -7.415 3.455 -0.326 206 HA SER 30 HA SER 30 -7.161 3.764 -3.307 207 1HB SER 30 2HB SER 30 -5.602 5.136 -1.091 208 2HB SER 30 3HB SER 30 -5.186 5.206 -2.819 209 HG SER 30 HG SER 30 -7.612 6.117 -1.629 210 H CYS 31 H CYS 31 -6.910 1.328 -1.482 211 HA CYS 31 HA CYS 31 -4.261 0.297 -1.510 212 1HB CYS 31 2HB CYS 31 -6.870 -1.190 -1.956 213 2HB CYS 31 3HB CYS 31 -5.349 -1.850 -1.344 214 H CYS 32 H CYS 32 -3.427 -1.488 -2.924 215 HA CYS 32 HA CYS 32 -3.165 -0.819 -5.635 216 1HB CYS 32 2HB CYS 32 -3.023 -3.708 -5.262 217 2HB CYS 32 3HB CYS 32 -1.779 -2.570 -5.738 218 H THR 33 H THR 33 -3.911 -1.861 -7.584 219 HA THR 33 HA THR 33 -6.687 -1.931 -7.946 220 HB THR 33 HB THR 33 -6.144 -3.055 -10.138 221 HG1 THR 33 1HG THR 33 -3.942 -3.314 -10.578 222 1HG2 THR 33 1HG2 THR 33 -6.055 -0.578 -9.897 223 2HG2 THR 33 2HG2 THR 33 -4.338 -0.691 -9.450 224 3HG2 THR 33 3HG2 THR 33 -4.875 -1.190 -11.067 225 H ASP 34 H ASP 34 -4.607 -4.619 -7.028 226 HA ASP 34 HA ASP 34 -7.055 -6.156 -6.406 227 1HB ASP 34 2HB ASP 34 -6.077 -6.838 -8.668 228 2HB ASP 34 3HB ASP 34 -4.678 -7.458 -7.781 229 H TYR 35 H TYR 35 -5.434 -4.610 -4.672 230 HA TYR 35 HA TYR 35 -3.472 -5.583 -3.137 231 1HB TYR 35 2HB TYR 35 -4.590 -3.520 -2.608 232 2HB TYR 35 3HB TYR 35 -6.082 -4.371 -2.203 233 HD1 TYR 35 1HD TYR 35 -2.809 -3.235 -0.943 234 HD2 TYR 35 2HD TYR 35 -6.282 -5.666 -0.085 235 HE1 TYR 35 1HE TYR 35 -2.155 -3.339 1.443 236 HE2 TYR 35 2HE TYR 35 -5.611 -5.763 2.301 237 HH TYR 35 HH TYR 35 -4.093 -5.106 3.884 238 H THR 36 H THR 36 -6.838 -6.816 -2.598 239 HA THR 36 HA THR 36 -6.096 -8.529 -0.497 240 HB THR 36 HB THR 36 -8.492 -9.234 -2.157 241 HG1 THR 36 1HG THR 36 -9.586 -7.450 -1.348 242 1HG2 THR 36 1HG2 THR 36 -8.134 -10.312 0.059 243 2HG2 THR 36 2HG2 THR 36 -8.031 -8.714 0.826 244 3HG2 THR 36 3HG2 THR 36 -9.558 -9.267 0.095 245 H ALA 37 H ALA 37 -5.468 -9.101 -3.825 246 HA ALA 37 HA ALA 37 -4.777 -11.939 -3.169 247 1HB ALA 37 1HB ALA 37 -5.259 -12.542 -5.479 248 2HB ALA 37 2HB ALA 37 -6.695 -11.837 -4.708 249 3HB ALA 37 3HB ALA 37 -5.725 -10.868 -5.841 250 H GLU 38 H GLU 38 -3.567 -8.901 -4.356 251 HA GLU 38 HA GLU 38 -0.992 -10.191 -5.208 252 1HB GLU 38 2HB GLU 38 -2.393 -7.633 -6.050 253 2HB GLU 38 3HB GLU 38 -0.727 -8.007 -6.493 254 1HG GLU 38 2HG GLU 38 -3.048 -9.855 -7.188 255 2HG GLU 38 3HG GLU 38 -2.509 -8.536 -8.222 256 H CYS 39 H CYS 39 -2.261 -7.950 -2.813 257 HA CYS 39 HA CYS 39 0.538 -7.328 -2.045 258 1HB CYS 39 2HB CYS 39 -1.661 -5.434 -1.376 259 2HB CYS 39 3HB CYS 39 0.047 -5.123 -1.527 260 H LYS 40 H LYS 40 -2.359 -8.689 -1.031 261 HA LYS 40 HA LYS 40 -2.831 -8.137 1.529 262 1HB LYS 40 2HB LYS 40 -4.140 -9.615 0.179 263 2HB LYS 40 3HB LYS 40 -2.889 -10.860 0.226 264 1HG LYS 40 2HG LYS 40 -3.250 -11.221 2.617 265 2HG LYS 40 3HG LYS 40 -4.302 -9.792 2.712 266 1HD LYS 40 2HD LYS 40 -5.669 -11.801 2.720 267 2HD LYS 40 3HD LYS 40 -5.940 -10.887 1.236 268 1HE LYS 40 2HE LYS 40 -4.126 -12.479 0.196 269 2HE LYS 40 3HE LYS 40 -4.390 -13.484 1.624 270 1HZ LYS 40 1HZ LYS 40 -6.781 -13.540 0.963 271 2HZ LYS 40 2HZ LYS 40 -6.419 -12.650 -0.377 272 3HZ LYS 40 3HZ LYS 40 -5.819 -14.164 -0.209 273 HA PRO 41 HA PRO 41 0.918 -9.247 3.917 274 1HB PRO 41 2HB PRO 41 -1.126 -8.577 6.047 275 2HB PRO 41 3HB PRO 41 0.611 -8.149 5.979 276 1HG PRO 41 2HG PRO 41 -1.291 -6.322 5.331 277 2HG PRO 41 3HG PRO 41 0.203 -6.459 4.347 278 1HD PRO 41 2HD PRO 41 -2.552 -7.544 3.724 279 2HD PRO 41 3HD PRO 41 -1.366 -6.769 2.648 280 H GLN 42 H GLN 42 1.424 -11.308 4.546 281 HA GLN 42 HA GLN 42 -0.593 -13.399 4.774 282 1HB GLN 42 2HB GLN 42 2.415 -13.334 5.242 283 2HB GLN 42 3HB GLN 42 1.425 -14.800 5.405 284 1HG GLN 42 2HG GLN 42 0.731 -14.690 3.079 285 2HG GLN 42 3HG GLN 42 1.556 -13.150 2.837 286 1HE2 GLN 42 2HE2 GLN 42 1.890 -16.319 2.021 287 2HE2 GLN 42 1HE2 GLN 42 3.657 -16.372 1.989 288 H VAL 43 H VAL 43 -1.335 -14.445 6.580 289 HA VAL 43 HA VAL 43 -0.627 -13.487 9.307 290 HB VAL 43 HB VAL 43 -3.042 -13.187 9.835 291 1HG1 VAL 43 1HG1 VAL 43 -1.584 -11.242 9.372 292 2HG1 VAL 43 2HG1 VAL 43 -2.099 -11.277 7.671 293 3HG1 VAL 43 3HG1 VAL 43 -3.282 -10.958 8.952 294 1HG2 VAL 43 1HG2 VAL 43 -4.694 -12.806 8.088 295 2HG2 VAL 43 2HG2 VAL 43 -3.513 -13.178 6.821 296 3HG2 VAL 43 3HG2 VAL 43 -4.056 -14.448 7.942 297 H THR 44 H THR 44 -1.591 -14.776 11.030 298 HA THR 44 HA THR 44 -1.442 -17.582 10.744 299 HB THR 44 HB THR 44 -3.012 -16.026 12.838 300 HG1 THR 44 1HG THR 44 -1.067 -16.040 13.970 301 1HG2 THR 44 1HG2 THR 44 -2.384 -17.928 14.317 302 2HG2 THR 44 2HG2 THR 44 -3.400 -18.464 12.975 303 3HG2 THR 44 3HG2 THR 44 -1.645 -18.761 12.929 304 H ARG 45 H ARG 45 -2.801 -19.049 9.906 305 HA ARG 45 HA ARG 45 -5.733 -18.687 9.813 306 1HB ARG 45 2HB ARG 45 -4.317 -17.606 7.721 307 2HB ARG 45 3HB ARG 45 -4.327 -19.266 7.199 308 1HG ARG 45 2HG ARG 45 -6.235 -18.587 6.156 309 2HG ARG 45 3HG ARG 45 -6.987 -19.007 7.701 310 1HD ARG 45 2HD ARG 45 -6.173 -16.258 6.682 311 2HD ARG 45 3HD ARG 45 -7.806 -16.856 6.979 312 HE ARG 45 HE ARG 45 -5.784 -16.501 9.181 313 1HH1 ARG 45 1HH2 ARG 45 -9.015 -15.703 8.055 314 2HH1 ARG 45 2HH2 ARG 45 -9.419 -14.942 9.570 315 1HH2 ARG 45 1HH1 ARG 45 -6.333 -15.597 10.990 316 2HH2 ARG 45 2HH1 ARG 45 -7.915 -14.877 11.224 317 H GLY 46 H GLY 46 -6.834 -20.597 8.954 318 1HA GLY 46 2HA GLY 46 -5.461 -23.179 9.468 319 2HA GLY 46 3HA GLY 46 -7.192 -22.918 9.251 320 H ASP 47 H ASP 47 -5.109 -21.404 6.951 321 HA ASP 47 HA ASP 47 -5.172 -23.475 4.892 322 1HB ASP 47 2HB ASP 47 -7.455 -22.351 4.871 323 2HB ASP 47 3HB ASP 47 -6.644 -20.826 4.524 324 H VAL 48 H VAL 48 -4.225 -22.241 2.759 325 HA VAL 48 HA VAL 48 -1.921 -20.542 3.683 326 HB VAL 48 HB VAL 48 -0.539 -21.686 1.984 327 1HG1 VAL 48 1HG1 VAL 48 -0.090 -23.667 3.325 328 2HG1 VAL 48 2HG1 VAL 48 -0.433 -22.283 4.377 329 3HG1 VAL 48 3HG1 VAL 48 -1.671 -23.531 4.123 330 1HG2 VAL 48 1HG2 VAL 48 -2.771 -23.762 1.861 331 2HG2 VAL 48 2HG2 VAL 48 -2.328 -22.652 0.544 332 3HG2 VAL 48 3HG2 VAL 48 -1.171 -23.868 1.103 333 H PHE 49 H PHE 49 -1.011 -19.076 2.348 334 HA PHE 49 HA PHE 49 -2.166 -18.411 -0.279 335 1HB PHE 49 2HB PHE 49 -3.653 -17.185 1.194 336 2HB PHE 49 3HB PHE 49 -2.299 -16.598 2.166 337 HD1 PHE 49 1HD PHE 49 -1.191 -14.568 1.620 338 HD2 PHE 49 2HD PHE 49 -3.804 -16.410 -1.276 339 HE1 PHE 49 1HE PHE 49 -0.952 -12.588 0.147 340 HE2 PHE 49 2HE PHE 49 -3.571 -14.414 -2.744 341 HZ PHE 49 HZ PHE 49 -2.138 -12.507 -2.033 342 H THR 50 H THR 50 -0.577 -17.740 -1.596 343 HA THR 50 HA THR 50 2.017 -16.711 -0.567 344 HB THR 50 HB THR 50 3.201 -18.381 -2.022 345 HG1 THR 50 1HG THR 50 2.063 -20.230 -2.611 346 1HG2 THR 50 1HG2 THR 50 3.133 -20.230 -0.475 347 2HG2 THR 50 2HG2 THR 50 3.015 -18.721 0.443 348 3HG2 THR 50 3HG2 THR 50 1.564 -19.712 0.173 349 H MET 51 H MET 51 3.508 -16.170 -2.367 350 HA MET 51 HA MET 51 2.420 -14.160 -4.025 351 1HB MET 51 2HB MET 51 5.112 -15.581 -4.136 352 2HB MET 51 3HB MET 51 4.718 -14.112 -5.031 353 1HG MET 51 2HG MET 51 4.362 -12.872 -2.953 354 2HG MET 51 3HG MET 51 4.589 -14.347 -2.000 355 1HE MET 51 1HE MET 51 7.971 -11.985 -4.108 356 2HE MET 51 2HE MET 51 6.638 -12.705 -5.034 357 3HE MET 51 3HE MET 51 6.313 -11.394 -3.869 Start of MODEL 4 1 1H ASP 1 1H ASP 1 -5.296 3.518 -16.141 2 2H ASP 1 2H ASP 1 -4.785 4.784 -15.240 3 3H ASP 1 3H ASP 1 -4.447 4.742 -16.845 4 HA ASP 1 HA ASP 1 -3.087 2.752 -16.526 5 1HB ASP 1 2HB ASP 1 -2.267 5.244 -14.974 6 2HB ASP 1 3HB ASP 1 -1.177 3.911 -15.388 7 H GLN 2 H GLN 2 -1.764 1.546 -14.937 8 HA GLN 2 HA GLN 2 -2.883 1.307 -12.196 9 1HB GLN 2 2HB GLN 2 -2.720 -0.975 -14.219 10 2HB GLN 2 3HB GLN 2 -2.992 -1.183 -12.489 11 1HG GLN 2 2HG GLN 2 -5.092 0.164 -12.668 12 2HG GLN 2 3HG GLN 2 -4.868 0.230 -14.422 13 1HE2 GLN 2 2HE2 GLN 2 -5.275 -1.700 -15.681 14 2HE2 GLN 2 1HE2 GLN 2 -5.995 -3.124 -14.927 15 H GLU 3 H GLU 3 -1.589 -0.216 -10.881 16 HA GLU 3 HA GLU 3 1.186 -0.786 -11.742 17 1HB GLU 3 2HB GLU 3 0.506 0.608 -9.113 18 2HB GLU 3 3HB GLU 3 2.093 -0.028 -9.588 19 1HG GLU 3 2HG GLU 3 1.986 1.555 -11.593 20 2HG GLU 3 3HG GLU 3 0.621 2.342 -10.787 21 H SER 4 H SER 4 2.240 -2.262 -10.005 22 HA SER 4 HA SER 4 0.269 -4.035 -8.661 23 1HB SER 4 2HB SER 4 1.085 -6.009 -9.627 24 2HB SER 4 3HB SER 4 0.745 -4.915 -10.974 25 HG SER 4 HG SER 4 2.936 -4.539 -11.206 26 H CYS 5 H CYS 5 1.351 -5.693 -7.234 27 HA CYS 5 HA CYS 5 2.959 -4.093 -5.451 28 1HB CYS 5 2HB CYS 5 0.947 -5.635 -5.029 29 2HB CYS 5 3HB CYS 5 2.125 -6.957 -4.978 30 H LYS 6 H LYS 6 4.260 -5.951 -7.904 31 HA LYS 6 HA LYS 6 5.983 -7.699 -6.403 32 1HB LYS 6 2HB LYS 6 5.842 -6.843 -9.293 33 2HB LYS 6 3HB LYS 6 7.336 -7.576 -8.708 34 1HG LYS 6 2HG LYS 6 6.040 -9.340 -9.607 35 2HG LYS 6 3HG LYS 6 6.112 -9.534 -7.855 36 1HD LYS 6 2HD LYS 6 3.910 -10.103 -8.581 37 2HD LYS 6 3HD LYS 6 3.778 -8.577 -7.703 38 1HE LYS 6 2HE LYS 6 3.743 -7.342 -9.869 39 2HE LYS 6 3HE LYS 6 3.951 -8.866 -10.743 40 1HZ LYS 6 1HZ LYS 6 1.626 -8.193 -9.014 41 2HZ LYS 6 2HZ LYS 6 1.619 -8.213 -10.661 42 3HZ LYS 6 3HZ LYS 6 1.814 -9.599 -9.808 43 H GLY 7 H GLY 7 7.509 -7.173 -5.107 44 1HA GLY 7 2HA GLY 7 9.490 -6.280 -4.288 45 2HA GLY 7 3HA GLY 7 9.619 -5.221 -5.700 46 H ARG 8 H ARG 8 6.560 -5.057 -4.048 47 HA ARG 8 HA ARG 8 7.352 -2.466 -2.719 48 1HB ARG 8 2HB ARG 8 4.981 -3.038 -4.545 49 2HB ARG 8 3HB ARG 8 5.226 -1.559 -3.621 50 1HG ARG 8 2HG ARG 8 7.402 -1.191 -4.831 51 2HG ARG 8 3HG ARG 8 7.037 -2.614 -5.823 52 1HD ARG 8 2HD ARG 8 6.402 -0.648 -7.028 53 2HD ARG 8 3HD ARG 8 4.932 -1.543 -6.583 54 HE ARG 8 HE ARG 8 5.274 0.287 -4.500 55 1HH1 ARG 8 2HH2 ARG 8 4.710 0.604 -7.936 56 2HH1 ARG 8 1HH2 ARG 8 3.716 2.025 -7.705 57 1HH2 ARG 8 2HH1 ARG 8 4.260 2.050 -4.285 58 2HH2 ARG 8 1HH1 ARG 8 3.623 2.964 -5.665 59 H CYS 9 H CYS 9 5.104 -5.208 -2.482 60 HA CYS 9 HA CYS 9 3.269 -4.313 -0.760 61 1HB CYS 9 2HB CYS 9 4.655 -6.964 -0.285 62 2HB CYS 9 3HB CYS 9 2.957 -6.542 -0.010 63 H THR 10 H THR 10 3.059 -3.391 1.109 64 HA THR 10 HA THR 10 3.352 -2.570 3.150 65 HB THR 10 HB THR 10 5.508 -4.481 3.992 66 HG1 THR 10 1HG THR 10 4.122 -5.857 3.007 67 1HG2 THR 10 1HG2 THR 10 4.562 -2.819 5.622 68 2HG2 THR 10 2HG2 THR 10 2.944 -3.482 5.322 69 3HG2 THR 10 3HG2 THR 10 4.199 -4.491 6.074 70 H GLU 11 H GLU 11 4.921 -1.541 0.924 71 HA GLU 11 HA GLU 11 7.504 -0.681 1.717 72 1HB GLU 11 2HB GLU 11 7.197 1.097 0.021 73 2HB GLU 11 3HB GLU 11 6.914 -0.512 -0.587 74 1HG GLU 11 2HG GLU 11 4.454 -0.124 -0.526 75 2HG GLU 11 3HG GLU 11 4.713 1.446 0.244 76 H GLY 12 H GLY 12 4.572 0.421 3.084 77 1HA GLY 12 2HA GLY 12 4.314 2.087 4.728 78 2HA GLY 12 3HA GLY 12 5.778 2.908 4.217 79 H PHE 13 H PHE 13 2.701 3.341 4.441 80 HA PHE 13 HA PHE 13 1.717 4.090 1.896 81 1HB PHE 13 2HB PHE 13 0.007 3.652 3.314 82 2HB PHE 13 3HB PHE 13 0.845 4.291 4.734 83 HD1 PHE 13 1HD PHE 13 -1.594 4.987 2.102 84 HD2 PHE 13 2HD PHE 13 0.854 6.780 5.172 85 HE1 PHE 13 1HE PHE 13 -2.979 7.020 2.029 86 HE2 PHE 13 2HE PHE 13 -0.511 8.841 5.054 87 HZ PHE 13 HZ PHE 13 -2.414 8.977 3.469 88 H ASN 14 H ASN 14 1.231 5.909 0.945 89 HA ASN 14 HA ASN 14 1.514 8.569 1.935 90 1HB ASN 14 2HB ASN 14 3.882 8.359 1.376 91 2HB ASN 14 3HB ASN 14 3.482 7.612 -0.178 92 1HD2 ASN 14 2HD2 ASN 14 5.059 9.449 -0.805 93 2HD2 ASN 14 1HD2 ASN 14 4.260 10.954 -1.242 94 H VAL 15 H VAL 15 -0.431 9.243 1.189 95 HA VAL 15 HA VAL 15 -1.879 7.839 -0.805 96 HB VAL 15 HB VAL 15 -2.776 9.040 1.157 97 1HG1 VAL 15 1HG1 VAL 15 -1.626 11.152 0.972 98 2HG1 VAL 15 2HG1 VAL 15 -2.568 11.549 -0.495 99 3HG1 VAL 15 3HG1 VAL 15 -3.380 11.340 1.079 100 1HG2 VAL 15 1HG2 VAL 15 -4.205 8.100 -0.540 101 2HG2 VAL 15 2HG2 VAL 15 -4.895 9.546 0.210 102 3HG2 VAL 15 3HG2 VAL 15 -4.200 9.654 -1.421 103 H ASP 16 H ASP 16 0.468 10.301 -1.309 104 HA ASP 16 HA ASP 16 -0.489 11.196 -3.912 105 1HB ASP 16 2HB ASP 16 1.000 12.497 -2.376 106 2HB ASP 16 3HB ASP 16 2.286 11.323 -2.703 107 H LYS 17 H LYS 17 1.108 8.285 -2.871 108 HA LYS 17 HA LYS 17 2.539 7.671 -5.339 109 1HB LYS 17 2HB LYS 17 1.559 5.904 -3.050 110 2HB LYS 17 3HB LYS 17 2.557 5.330 -4.393 111 1HG LYS 17 2HG LYS 17 4.386 6.805 -3.763 112 2HG LYS 17 3HG LYS 17 3.412 7.526 -2.464 113 1HD LYS 17 2HD LYS 17 3.276 5.337 -1.319 114 2HD LYS 17 3HD LYS 17 4.187 4.580 -2.645 115 1HE LYS 17 2HE LYS 17 6.132 6.020 -2.156 116 2HE LYS 17 3HE LYS 17 5.253 6.786 -0.821 117 1HZ LYS 17 1HZ LYS 17 6.713 4.997 -0.043 118 2HZ LYS 17 2HZ LYS 17 5.162 4.581 0.275 119 3HZ LYS 17 3HZ LYS 17 5.952 3.907 -0.996 120 H LYS 18 H LYS 18 1.989 6.005 -6.876 121 HA LYS 18 HA LYS 18 -0.808 6.182 -7.729 122 1HB LYS 18 2HB LYS 18 1.751 5.275 -8.973 123 2HB LYS 18 3HB LYS 18 0.234 4.642 -9.637 124 1HG LYS 18 2HG LYS 18 0.887 6.615 -10.863 125 2HG LYS 18 3HG LYS 18 -0.590 6.958 -9.946 126 1HD LYS 18 2HD LYS 18 0.796 8.102 -8.205 127 2HD LYS 18 3HD LYS 18 2.248 7.792 -9.176 128 1HE LYS 18 2HE LYS 18 1.307 9.148 -11.016 129 2HE LYS 18 3HE LYS 18 -0.187 9.382 -10.099 130 1HZ LYS 18 1HZ LYS 18 1.128 10.544 -8.392 131 2HZ LYS 18 2HZ LYS 18 2.494 10.361 -9.270 132 3HZ LYS 18 3HZ LYS 18 1.279 11.289 -9.838 133 H CYS 19 H CYS 19 0.715 4.053 -5.689 134 HA CYS 19 HA CYS 19 -1.788 2.565 -5.447 135 1HB CYS 19 2HB CYS 19 -0.988 0.427 -5.342 136 2HB CYS 19 3HB CYS 19 -0.162 1.028 -6.772 137 H GLN 20 H GLN 20 -2.173 2.005 -3.342 138 HA GLN 20 HA GLN 20 -0.150 2.785 -1.265 139 1HB GLN 20 2HB GLN 20 -3.186 2.771 -1.181 140 2HB GLN 20 3HB GLN 20 -2.168 2.800 0.264 141 1HG GLN 20 2HG GLN 20 -2.848 5.067 -0.250 142 2HG GLN 20 3HG GLN 20 -1.096 4.877 -0.388 143 1HE2 GLN 20 2HE2 GLN 20 -0.436 6.344 -2.017 144 2HE2 GLN 20 1HE2 GLN 20 -1.249 6.426 -3.578 145 H CYS 21 H CYS 21 0.729 0.778 -2.254 146 HA CYS 21 HA CYS 21 -0.418 -1.814 -1.675 147 1HB CYS 21 2HB CYS 21 2.413 -0.887 -2.385 148 2HB CYS 21 3HB CYS 21 1.851 -2.552 -2.382 149 H ASP 22 H ASP 22 -0.653 -0.450 0.688 150 HA ASP 22 HA ASP 22 1.220 -1.674 2.611 151 1HB ASP 22 2HB ASP 22 2.233 0.493 1.791 152 2HB ASP 22 3HB ASP 22 0.797 1.342 2.389 153 H GLU 23 H GLU 23 0.614 -1.011 4.884 154 HA GLU 23 HA GLU 23 -1.788 -2.169 5.551 155 1HB GLU 23 2HB GLU 23 -0.229 -0.205 7.270 156 2HB GLU 23 3HB GLU 23 -1.271 -1.518 7.821 157 1HG GLU 23 2HG GLU 23 0.328 -3.151 6.735 158 2HG GLU 23 3HG GLU 23 1.407 -1.794 6.376 159 H LEU 24 H LEU 24 -1.282 1.366 5.264 160 HA LEU 24 HA LEU 24 -3.813 1.990 6.617 161 1HB LEU 24 2HB LEU 24 -1.731 3.735 5.257 162 2HB LEU 24 3HB LEU 24 -3.112 4.346 6.156 163 HG LEU 24 HG LEU 24 -0.856 2.677 7.339 164 1HD1 LEU 24 1HD1 LEU 24 -0.259 4.766 8.504 165 2HD1 LEU 24 2HD1 LEU 24 -0.167 4.961 6.751 166 3HD1 LEU 24 3HD1 LEU 24 -1.553 5.628 7.638 167 1HD2 LEU 24 1HD2 LEU 24 -1.863 3.324 9.532 168 2HD2 LEU 24 2HD2 LEU 24 -3.254 4.018 8.670 169 3HD2 LEU 24 3HD2 LEU 24 -2.923 2.270 8.599 170 H CYS 25 H CYS 25 -3.360 0.967 3.460 171 HA CYS 25 HA CYS 25 -4.553 3.033 1.987 172 1HB CYS 25 2HB CYS 25 -4.605 1.603 0.201 173 2HB CYS 25 3HB CYS 25 -3.262 1.005 1.189 174 H SER 26 H SER 26 -6.283 0.378 3.659 175 HA SER 26 HA SER 26 -8.791 0.686 2.411 176 1HB SER 26 2HB SER 26 -8.204 -0.178 5.264 177 2HB SER 26 3HB SER 26 -9.702 -0.496 4.362 178 HG SER 26 HG SER 26 -8.239 -2.272 4.287 179 H TYR 27 H TYR 27 -7.374 2.602 4.978 180 HA TYR 27 HA TYR 27 -9.750 4.046 5.792 181 1HB TYR 27 2HB TYR 27 -8.006 3.800 7.335 182 2HB TYR 27 3HB TYR 27 -6.776 4.242 6.180 183 HD1 TYR 27 1HD TYR 27 -5.647 6.139 6.637 184 HD2 TYR 27 2HD TYR 27 -9.827 5.922 7.679 185 HE1 TYR 27 1HE TYR 27 -5.534 8.451 7.534 186 HE2 TYR 27 2HE TYR 27 -9.711 8.230 8.610 187 HH TYR 27 HH TYR 27 -8.395 10.066 8.999 188 H TYR 28 H TYR 28 -7.750 4.284 2.972 189 HA TYR 28 HA TYR 28 -8.984 6.925 2.244 190 1HB TYR 28 2HB TYR 28 -6.381 5.615 1.376 191 2HB TYR 28 3HB TYR 28 -7.069 7.054 0.622 192 HD1 TYR 28 1HD TYR 28 -5.264 5.779 3.564 193 HD2 TYR 28 2HD TYR 28 -7.240 9.194 1.805 194 HE1 TYR 28 1HE TYR 28 -4.133 7.282 5.188 195 HE2 TYR 28 2HE TYR 28 -6.116 10.690 3.439 196 HH TYR 28 HH TYR 28 -4.675 10.829 5.219 197 H GLN 29 H GLN 29 -8.827 3.580 1.379 198 HA GLN 29 HA GLN 29 -9.615 2.284 -0.226 199 1HB GLN 29 2HB GLN 29 -11.480 4.506 -1.111 200 2HB GLN 29 3HB GLN 29 -11.599 2.785 -1.439 201 1HG GLN 29 2HG GLN 29 -13.135 3.003 0.250 202 2HG GLN 29 3HG GLN 29 -11.710 2.465 1.142 203 1HE2 GLN 29 2HE2 GLN 29 -11.358 3.666 3.030 204 2HE2 GLN 29 1HE2 GLN 29 -11.887 5.342 3.235 205 H SER 30 H SER 30 -7.615 4.704 -0.955 206 HA SER 30 HA SER 30 -7.526 4.737 -3.819 207 1HB SER 30 2HB SER 30 -5.341 5.369 -1.794 208 2HB SER 30 3HB SER 30 -5.436 5.946 -3.473 209 HG SER 30 HG SER 30 -6.189 7.524 -2.032 210 H CYS 31 H CYS 31 -6.876 2.152 -1.941 211 HA CYS 31 HA CYS 31 -4.336 1.235 -2.233 212 1HB CYS 31 2HB CYS 31 -6.604 0.383 -1.042 213 2HB CYS 31 3HB CYS 31 -6.552 -0.756 -2.400 214 H CYS 32 H CYS 32 -3.393 -0.657 -3.303 215 HA CYS 32 HA CYS 32 -3.381 -0.687 -6.141 216 1HB CYS 32 2HB CYS 32 -2.468 -3.091 -5.750 217 2HB CYS 32 3HB CYS 32 -1.525 -1.703 -5.226 218 H THR 33 H THR 33 -4.503 -1.795 -7.683 219 HA THR 33 HA THR 33 -7.241 -2.176 -7.195 220 HB THR 33 HB THR 33 -7.310 -2.969 -9.593 221 HG1 THR 33 1HG THR 33 -5.383 -2.813 -10.732 222 1HG2 THR 33 1HG2 THR 33 -5.683 -0.435 -9.092 223 2HG2 THR 33 2HG2 THR 33 -6.648 -0.819 -10.534 224 3HG2 THR 33 3HG2 THR 33 -7.451 -0.565 -8.978 225 H ASP 34 H ASP 34 -4.896 -4.535 -6.609 226 HA ASP 34 HA ASP 34 -7.043 -6.554 -6.257 227 1HB ASP 34 2HB ASP 34 -5.765 -6.883 -8.437 228 2HB ASP 34 3HB ASP 34 -4.332 -7.216 -7.456 229 H TYR 35 H TYR 35 -5.499 -4.711 -4.441 230 HA TYR 35 HA TYR 35 -3.546 -5.542 -2.882 231 1HB TYR 35 2HB TYR 35 -4.823 -3.541 -2.350 232 2HB TYR 35 3HB TYR 35 -6.235 -4.504 -1.937 233 HD1 TYR 35 1HD TYR 35 -2.920 -3.322 -0.721 234 HD2 TYR 35 2HD TYR 35 -6.464 -5.599 0.218 235 HE1 TYR 35 1HE TYR 35 -2.317 -3.266 1.673 236 HE2 TYR 35 2HE TYR 35 -5.851 -5.537 2.629 237 HH TYR 35 HH TYR 35 -2.964 -3.779 3.802 238 H THR 36 H THR 36 -6.806 -7.035 -2.342 239 HA THR 36 HA THR 36 -5.944 -8.549 -0.099 240 HB THR 36 HB THR 36 -8.065 -9.948 -0.639 241 HG1 THR 36 1HG THR 36 -9.484 -8.850 -2.013 242 1HG2 THR 36 1HG2 THR 36 -8.309 -6.949 -0.166 243 2HG2 THR 36 2HG2 THR 36 -9.446 -8.216 0.347 244 3HG2 THR 36 3HG2 THR 36 -7.827 -8.133 1.070 245 H ALA 37 H ALA 37 -5.222 -9.201 -3.365 246 HA ALA 37 HA ALA 37 -4.144 -11.868 -2.526 247 1HB ALA 37 1HB ALA 37 -4.370 -12.586 -4.863 248 2HB ALA 37 2HB ALA 37 -5.944 -12.132 -4.179 249 3HB ALA 37 3HB ALA 37 -5.102 -11.022 -5.286 250 H GLU 38 H GLU 38 -3.468 -8.776 -4.137 251 HA GLU 38 HA GLU 38 -0.737 -9.586 -4.889 252 1HB GLU 38 2HB GLU 38 -2.532 -7.208 -5.330 253 2HB GLU 38 3HB GLU 38 -0.799 -6.944 -5.429 254 1HG GLU 38 2HG GLU 38 -2.146 -9.145 -7.012 255 2HG GLU 38 3HG GLU 38 -1.996 -7.485 -7.601 256 H CYS 39 H CYS 39 -2.138 -7.316 -2.435 257 HA CYS 39 HA CYS 39 0.654 -6.765 -1.546 258 1HB CYS 39 2HB CYS 39 -1.386 -4.692 -1.128 259 2HB CYS 39 3HB CYS 39 0.301 -4.518 -1.503 260 H LYS 40 H LYS 40 -2.308 -7.952 -0.438 261 HA LYS 40 HA LYS 40 -2.723 -7.308 2.099 262 1HB LYS 40 2HB LYS 40 -4.048 -8.902 0.999 263 2HB LYS 40 3HB LYS 40 -2.734 -10.064 0.876 264 1HG LYS 40 2HG LYS 40 -2.707 -10.285 3.366 265 2HG LYS 40 3HG LYS 40 -4.069 -9.153 3.476 266 1HD LYS 40 2HD LYS 40 -4.143 -11.765 1.899 267 2HD LYS 40 3HD LYS 40 -4.568 -11.668 3.612 268 1HE LYS 40 2HE LYS 40 -6.405 -10.166 3.183 269 2HE LYS 40 3HE LYS 40 -5.932 -9.976 1.489 270 1HZ LYS 40 1HZ LYS 40 -6.796 -12.559 2.670 271 2HZ LYS 40 2HZ LYS 40 -7.765 -11.588 1.787 272 3HZ LYS 40 3HZ LYS 40 -6.458 -12.275 1.089 273 HA PRO 41 HA PRO 41 1.260 -8.224 4.149 274 1HB PRO 41 2HB PRO 41 0.777 -6.833 6.459 275 2HB PRO 41 3HB PRO 41 1.203 -6.047 4.908 276 1HG PRO 41 2HG PRO 41 -1.537 -6.365 6.147 277 2HG PRO 41 3HG PRO 41 -0.837 -4.940 5.297 278 1HD PRO 41 2HD PRO 41 -2.526 -6.734 4.099 279 2HD PRO 41 3HD PRO 41 -1.303 -5.767 3.228 280 H GLN 42 H GLN 42 1.840 -9.264 6.271 281 HA GLN 42 HA GLN 42 0.305 -11.659 6.661 282 1HB GLN 42 2HB GLN 42 2.622 -10.467 8.243 283 2HB GLN 42 3HB GLN 42 1.963 -12.097 8.486 284 1HG GLN 42 2HG GLN 42 2.478 -12.653 6.114 285 2HG GLN 42 3HG GLN 42 3.243 -11.076 5.905 286 1HE2 GLN 42 2HE2 GLN 42 4.330 -13.971 5.856 287 2HE2 GLN 42 1HE2 GLN 42 5.706 -13.875 6.956 288 H VAL 43 H VAL 43 -0.858 -12.427 8.394 289 HA VAL 43 HA VAL 43 -1.630 -10.664 10.656 290 HB VAL 43 HB VAL 43 -3.670 -12.033 8.842 291 1HG1 VAL 43 1HG1 VAL 43 -4.034 -10.237 11.285 292 2HG1 VAL 43 2HG1 VAL 43 -5.339 -10.801 10.221 293 3HG1 VAL 43 3HG1 VAL 43 -4.434 -11.968 11.174 294 1HG2 VAL 43 1HG2 VAL 43 -3.090 -9.058 9.181 295 2HG2 VAL 43 2HG2 VAL 43 -2.869 -10.022 7.703 296 3HG2 VAL 43 3HG2 VAL 43 -4.490 -9.743 8.323 297 H THR 44 H THR 44 -1.890 -11.830 12.529 298 HA THR 44 HA THR 44 -1.302 -14.716 12.493 299 HB THR 44 HB THR 44 -0.184 -13.310 14.123 300 HG1 THR 44 1HG THR 44 -0.491 -14.676 15.797 301 1HG2 THR 44 1HG2 THR 44 -2.908 -12.883 15.432 302 2HG2 THR 44 2HG2 THR 44 -1.330 -12.412 16.088 303 3HG2 THR 44 3HG2 THR 44 -1.942 -11.626 14.630 304 H ARG 45 H ARG 45 -2.514 -16.317 13.501 305 HA ARG 45 HA ARG 45 -5.430 -16.245 13.277 306 1HB ARG 45 2HB ARG 45 -4.019 -18.265 12.880 307 2HB ARG 45 3HB ARG 45 -3.532 -18.258 14.579 308 1HG ARG 45 2HG ARG 45 -5.867 -18.704 15.271 309 2HG ARG 45 3HG ARG 45 -6.402 -18.553 13.584 310 1HD ARG 45 2HD ARG 45 -6.294 -20.874 14.146 311 2HD ARG 45 3HD ARG 45 -4.994 -20.529 12.994 312 HE ARG 45 HE ARG 45 -3.769 -20.268 15.482 313 1HH1 ARG 45 1HH1 ARG 45 -5.474 -22.932 13.953 314 2HH1 ARG 45 2HH1 ARG 45 -4.600 -24.116 14.887 315 1HH2 ARG 45 2HH2 ARG 45 -2.753 -21.752 16.598 316 2HH2 ARG 45 1HH2 ARG 45 -3.075 -23.464 16.380 317 H GLY 46 H GLY 46 -3.120 -15.537 15.774 318 1HA GLY 46 2HA GLY 46 -3.850 -14.241 17.752 319 2HA GLY 46 3HA GLY 46 -5.239 -15.326 17.895 320 H ASP 47 H ASP 47 -3.490 -17.662 17.141 321 HA ASP 47 HA ASP 47 -1.428 -17.896 19.216 322 1HB ASP 47 2HB ASP 47 -3.443 -18.623 20.431 323 2HB ASP 47 3HB ASP 47 -3.864 -19.732 19.123 324 H VAL 48 H VAL 48 0.268 -18.817 18.252 325 HA VAL 48 HA VAL 48 0.073 -21.141 16.521 326 HB VAL 48 HB VAL 48 -0.353 -19.306 14.916 327 1HG1 VAL 48 1HG1 VAL 48 0.929 -17.472 15.956 328 2HG1 VAL 48 2HG1 VAL 48 2.449 -18.299 15.550 329 3HG1 VAL 48 3HG1 VAL 48 1.373 -17.723 14.264 330 1HG2 VAL 48 1HG2 VAL 48 2.352 -20.590 14.416 331 2HG2 VAL 48 2HG2 VAL 48 0.773 -21.383 14.188 332 3HG2 VAL 48 3HG2 VAL 48 1.208 -19.967 13.221 333 H PHE 49 H PHE 49 2.105 -22.238 16.352 334 HA PHE 49 HA PHE 49 3.694 -21.941 18.683 335 1HB PHE 49 2HB PHE 49 4.899 -23.840 17.953 336 2HB PHE 49 3HB PHE 49 3.207 -24.077 17.535 337 HD1 PHE 49 1HD PHE 49 6.632 -23.699 16.265 338 HD2 PHE 49 2HD PHE 49 2.480 -24.032 15.131 339 HE1 PHE 49 1HE PHE 49 7.307 -24.249 13.941 340 HE2 PHE 49 2HE PHE 49 3.162 -24.556 12.803 341 HZ PHE 49 HZ PHE 49 5.575 -24.670 12.205 342 H THR 50 H THR 50 4.258 -20.603 15.476 343 HA THR 50 HA THR 50 6.242 -18.818 16.585 344 HB THR 50 HB THR 50 7.630 -20.839 15.993 345 HG1 THR 50 1HG THR 50 9.213 -19.567 15.074 346 1HG2 THR 50 1HG2 THR 50 7.212 -20.003 13.096 347 2HG2 THR 50 2HG2 THR 50 8.196 -21.341 13.725 348 3HG2 THR 50 3HG2 THR 50 6.429 -21.415 13.830 349 H MET 51 H MET 51 6.739 -17.055 15.202 350 HA MET 51 HA MET 51 5.700 -16.775 12.526 351 1HB MET 51 2HB MET 51 3.603 -16.342 13.714 352 2HB MET 51 3HB MET 51 4.376 -15.107 14.715 353 1HG MET 51 2HG MET 51 4.698 -13.653 12.858 354 2HG MET 51 3HG MET 51 4.351 -14.929 11.683 355 1HE MET 51 1HE MET 51 2.163 -15.529 10.736 356 2HE MET 51 2HE MET 51 1.713 -16.300 12.274 357 3HE MET 51 3HE MET 51 0.582 -15.194 11.464 Start of MODEL 5 1 1H ASP 1 1H ASP 1 3.072 0.230 -17.759 2 2H ASP 1 2H ASP 1 3.498 1.757 -18.170 3 3H ASP 1 3H ASP 1 3.194 1.383 -16.597 4 HA ASP 1 HA ASP 1 1.389 2.621 -17.733 5 1HB ASP 1 2HB ASP 1 -0.049 1.441 -19.275 6 2HB ASP 1 3HB ASP 1 1.592 1.571 -19.920 7 H GLN 2 H GLN 2 1.255 -0.883 -16.833 8 HA GLN 2 HA GLN 2 -0.506 -0.135 -14.544 9 1HB GLN 2 2HB GLN 2 -1.861 -0.905 -16.493 10 2HB GLN 2 3HB GLN 2 -1.016 -2.456 -16.446 11 1HG GLN 2 2HG GLN 2 -1.888 -2.841 -14.136 12 2HG GLN 2 3HG GLN 2 -2.656 -1.252 -14.162 13 1HE2 GLN 2 2HE2 GLN 2 -4.804 -1.199 -14.873 14 2HE2 GLN 2 1HE2 GLN 2 -5.552 -2.513 -15.782 15 H GLU 3 H GLU 3 1.430 -0.221 -13.360 16 HA GLU 3 HA GLU 3 3.035 -2.617 -13.036 17 1HB GLU 3 2HB GLU 3 2.753 -0.142 -11.268 18 2HB GLU 3 3HB GLU 3 4.008 -1.377 -11.146 19 1HG GLU 3 2HG GLU 3 4.999 0.461 -12.247 20 2HG GLU 3 3HG GLU 3 4.802 -0.825 -13.431 21 H SER 4 H SER 4 3.375 -3.511 -10.719 22 HA SER 4 HA SER 4 0.923 -3.712 -9.097 23 1HB SER 4 2HB SER 4 0.759 -6.087 -9.128 24 2HB SER 4 3HB SER 4 0.728 -5.521 -10.807 25 HG SER 4 HG SER 4 2.930 -6.092 -10.981 26 H CYS 5 H CYS 5 1.360 -5.278 -7.176 27 HA CYS 5 HA CYS 5 3.266 -3.851 -5.642 28 1HB CYS 5 2HB CYS 5 1.004 -4.721 -5.025 29 2HB CYS 5 3HB CYS 5 1.712 -6.334 -4.847 30 H LYS 6 H LYS 6 4.064 -6.592 -7.512 31 HA LYS 6 HA LYS 6 5.629 -8.046 -5.551 32 1HB LYS 6 2HB LYS 6 5.531 -8.225 -8.578 33 2HB LYS 6 3HB LYS 6 6.601 -9.204 -7.563 34 1HG LYS 6 2HG LYS 6 4.857 -10.666 -7.673 35 2HG LYS 6 3HG LYS 6 4.410 -9.780 -6.217 36 1HD LYS 6 2HD LYS 6 2.427 -10.007 -7.441 37 2HD LYS 6 3HD LYS 6 2.904 -8.335 -7.753 38 1HE LYS 6 2HE LYS 6 3.991 -9.157 -9.911 39 2HE LYS 6 3HE LYS 6 3.327 -10.760 -9.560 40 1HZ LYS 6 1HZ LYS 6 1.084 -9.633 -9.514 41 2HZ LYS 6 2HZ LYS 6 1.818 -8.275 -10.088 42 3HZ LYS 6 3HZ LYS 6 1.804 -9.636 -10.994 43 H GLY 7 H GLY 7 6.944 -6.791 -4.502 44 1HA GLY 7 2HA GLY 7 9.417 -6.249 -4.438 45 2HA GLY 7 3HA GLY 7 9.129 -5.273 -5.888 46 H ARG 8 H ARG 8 6.422 -4.944 -3.901 47 HA ARG 8 HA ARG 8 7.430 -2.380 -2.687 48 1HB ARG 8 2HB ARG 8 4.796 -2.901 -4.130 49 2HB ARG 8 3HB ARG 8 5.303 -1.396 -3.378 50 1HG ARG 8 2HG ARG 8 7.230 -1.277 -4.998 51 2HG ARG 8 3HG ARG 8 6.582 -2.725 -5.793 52 1HD ARG 8 2HD ARG 8 5.877 -0.772 -7.013 53 2HD ARG 8 3HD ARG 8 4.458 -1.528 -6.256 54 HE ARG 8 HE ARG 8 4.976 0.283 -4.363 55 1HH1 ARG 8 1HH2 ARG 8 5.068 0.941 -7.815 56 2HH1 ARG 8 2HH2 ARG 8 4.757 2.635 -7.555 57 1HH2 ARG 8 1HH1 ARG 8 4.596 2.252 -4.105 58 2HH2 ARG 8 2HH1 ARG 8 4.460 3.398 -5.450 59 H CYS 9 H CYS 9 4.911 -4.928 -2.322 60 HA CYS 9 HA CYS 9 3.275 -3.895 -0.572 61 1HB CYS 9 2HB CYS 9 4.308 -6.702 -0.146 62 2HB CYS 9 3HB CYS 9 2.674 -6.077 0.092 63 H THR 10 H THR 10 3.028 -3.160 1.359 64 HA THR 10 HA THR 10 3.333 -2.397 3.427 65 HB THR 10 HB THR 10 5.579 -4.257 4.170 66 HG1 THR 10 1HG THR 10 4.183 -5.669 3.282 67 1HG2 THR 10 1HG2 THR 10 3.074 -3.308 5.645 68 2HG2 THR 10 2HG2 THR 10 4.389 -4.299 6.316 69 3HG2 THR 10 3HG2 THR 10 4.694 -2.622 5.862 70 H GLU 11 H GLU 11 4.927 -1.397 1.092 71 HA GLU 11 HA GLU 11 7.397 -0.325 2.002 72 1HB GLU 11 2HB GLU 11 7.072 1.429 0.290 73 2HB GLU 11 3HB GLU 11 6.917 -0.192 -0.331 74 1HG GLU 11 2HG GLU 11 4.467 0.006 -0.416 75 2HG GLU 11 3HG GLU 11 4.536 1.577 0.394 76 H GLY 12 H GLY 12 4.214 0.601 2.982 77 1HA GLY 12 2HA GLY 12 3.753 2.046 4.823 78 2HA GLY 12 3HA GLY 12 5.242 2.949 4.523 79 H PHE 13 H PHE 13 2.638 4.027 4.893 80 HA PHE 13 HA PHE 13 1.245 4.597 2.465 81 1HB PHE 13 2HB PHE 13 0.100 4.541 4.534 82 2HB PHE 13 3HB PHE 13 1.208 5.704 5.285 83 HD1 PHE 13 1HD PHE 13 -1.353 5.321 2.573 84 HD2 PHE 13 2HD PHE 13 0.694 8.004 5.270 85 HE1 PHE 13 1HE PHE 13 -2.937 7.145 1.985 86 HE2 PHE 13 2HE PHE 13 -0.867 9.835 4.643 87 HZ PHE 13 HZ PHE 13 -2.689 9.400 3.017 88 H ASN 14 H ASN 14 1.257 6.196 1.065 89 HA ASN 14 HA ASN 14 2.043 8.885 1.610 90 1HB ASN 14 2HB ASN 14 4.341 7.991 1.253 91 2HB ASN 14 3HB ASN 14 3.857 7.373 -0.332 92 1HD2 ASN 14 2HD2 ASN 14 6.012 9.046 -0.231 93 2HD2 ASN 14 1HD2 ASN 14 5.557 10.626 -0.867 94 H VAL 15 H VAL 15 -0.105 9.199 0.944 95 HA VAL 15 HA VAL 15 -1.335 7.943 -1.194 96 HB VAL 15 HB VAL 15 -2.317 9.036 0.787 97 1HG1 VAL 15 1HG1 VAL 15 -3.314 11.170 0.702 98 2HG1 VAL 15 2HG1 VAL 15 -1.564 11.340 0.499 99 3HG1 VAL 15 3HG1 VAL 15 -2.638 11.490 -0.919 100 1HG2 VAL 15 1HG2 VAL 15 -3.857 9.326 -1.772 101 2HG2 VAL 15 2HG2 VAL 15 -3.596 7.821 -0.849 102 3HG2 VAL 15 3HG2 VAL 15 -4.499 9.155 -0.122 103 H ASP 16 H ASP 16 0.969 10.300 -1.728 104 HA ASP 16 HA ASP 16 -0.021 11.360 -4.253 105 1HB ASP 16 2HB ASP 16 1.737 12.429 -2.860 106 2HB ASP 16 3HB ASP 16 2.800 11.048 -3.179 107 H LYS 17 H LYS 17 1.575 8.350 -3.286 108 HA LYS 17 HA LYS 17 2.640 7.665 -5.890 109 1HB LYS 17 2HB LYS 17 2.123 5.906 -3.448 110 2HB LYS 17 3HB LYS 17 3.022 5.428 -4.894 111 1HG LYS 17 2HG LYS 17 4.607 7.378 -4.439 112 2HG LYS 17 3HG LYS 17 3.802 7.554 -2.861 113 1HD LYS 17 2HD LYS 17 4.325 5.115 -2.411 114 2HD LYS 17 3HD LYS 17 5.231 5.084 -3.942 115 1HE LYS 17 2HE LYS 17 6.646 6.998 -3.007 116 2HE LYS 17 3HE LYS 17 5.838 6.710 -1.451 117 1HZ LYS 17 1HZ LYS 17 7.811 5.403 -1.430 118 2HZ LYS 17 2HZ LYS 17 6.610 4.312 -1.742 119 3HZ LYS 17 3HZ LYS 17 7.574 4.828 -2.942 120 H LYS 18 H LYS 18 2.116 5.967 -7.241 121 HA LYS 18 HA LYS 18 -0.580 5.854 -8.151 122 1HB LYS 18 2HB LYS 18 1.990 4.456 -8.892 123 2HB LYS 18 3HB LYS 18 0.470 3.844 -9.542 124 1HG LYS 18 2HG LYS 18 1.380 5.321 -11.156 125 2HG LYS 18 3HG LYS 18 -0.048 6.103 -10.453 126 1HD LYS 18 2HD LYS 18 1.451 7.483 -9.015 127 2HD LYS 18 3HD LYS 18 2.867 6.702 -9.754 128 1HE LYS 18 2HE LYS 18 2.166 7.542 -11.979 129 2HE LYS 18 3HE LYS 18 0.735 8.291 -11.257 130 1HZ LYS 18 1HZ LYS 18 3.546 9.026 -10.619 131 2HZ LYS 18 2HZ LYS 18 2.525 9.904 -11.538 132 3HZ LYS 18 3HZ LYS 18 2.222 9.715 -9.948 133 H CYS 19 H CYS 19 0.969 3.773 -5.830 134 HA CYS 19 HA CYS 19 -1.672 2.513 -5.394 135 1HB CYS 19 2HB CYS 19 -0.897 0.350 -5.057 136 2HB CYS 19 3HB CYS 19 -0.222 0.814 -6.621 137 H GLN 20 H GLN 20 -2.149 2.149 -3.301 138 HA GLN 20 HA GLN 20 -0.148 2.930 -1.214 139 1HB GLN 20 2HB GLN 20 -3.172 2.757 -1.074 140 2HB GLN 20 3HB GLN 20 -2.089 3.174 0.272 141 1HG GLN 20 2HG GLN 20 -2.626 4.787 -2.242 142 2HG GLN 20 3HG GLN 20 -2.908 5.248 -0.557 143 1HE2 GLN 20 2HE2 GLN 20 -0.812 5.819 -3.134 144 2HE2 GLN 20 1HE2 GLN 20 0.510 6.407 -2.122 145 H CYS 21 H CYS 21 0.834 1.008 -1.978 146 HA CYS 21 HA CYS 21 -0.292 -1.637 -1.517 147 1HB CYS 21 2HB CYS 21 2.494 -0.604 -2.223 148 2HB CYS 21 3HB CYS 21 2.050 -2.301 -2.083 149 H ASP 22 H ASP 22 -0.689 -0.367 0.825 150 HA ASP 22 HA ASP 22 1.209 -1.481 2.809 151 1HB ASP 22 2HB ASP 22 1.625 0.687 3.809 152 2HB ASP 22 3HB ASP 22 2.068 0.761 2.103 153 H GLU 23 H GLU 23 0.492 -0.543 5.069 154 HA GLU 23 HA GLU 23 -1.830 -1.991 5.741 155 1HB GLU 23 2HB GLU 23 -0.302 0.030 7.426 156 2HB GLU 23 3HB GLU 23 -1.315 -1.293 8.011 157 1HG GLU 23 2HG GLU 23 0.276 -2.921 6.920 158 2HG GLU 23 3HG GLU 23 1.328 -1.565 6.504 159 H LEU 24 H LEU 24 -1.721 1.433 4.874 160 HA LEU 24 HA LEU 24 -4.177 2.009 6.502 161 1HB LEU 24 2HB LEU 24 -2.231 3.900 5.152 162 2HB LEU 24 3HB LEU 24 -3.599 4.345 6.167 163 HG LEU 24 HG LEU 24 -1.078 2.898 7.070 164 1HD1 LEU 24 1HD1 LEU 24 -2.243 5.615 7.816 165 2HD1 LEU 24 2HD1 LEU 24 -0.712 4.919 8.393 166 3HD1 LEU 24 3HD1 LEU 24 -0.900 5.355 6.688 167 1HD2 LEU 24 1HD2 LEU 24 -2.936 2.004 8.390 168 2HD2 LEU 24 2HD2 LEU 24 -2.014 3.138 9.376 169 3HD2 LEU 24 3HD2 LEU 24 -3.567 3.644 8.673 170 H CYS 25 H CYS 25 -3.419 1.316 3.227 171 HA CYS 25 HA CYS 25 -5.117 3.137 1.904 172 1HB CYS 25 2HB CYS 25 -4.852 1.820 0.033 173 2HB CYS 25 3HB CYS 25 -3.405 1.497 1.002 174 H SER 26 H SER 26 -6.023 0.214 3.644 175 HA SER 26 HA SER 26 -8.675 -0.133 2.658 176 1HB SER 26 2HB SER 26 -7.294 -1.765 3.976 177 2HB SER 26 3HB SER 26 -7.617 -0.800 5.431 178 HG SER 26 HG SER 26 -9.090 -2.565 5.154 179 H TYR 27 H TYR 27 -7.392 2.260 4.841 180 HA TYR 27 HA TYR 27 -10.090 3.234 5.647 181 1HB TYR 27 2HB TYR 27 -8.711 3.345 7.488 182 2HB TYR 27 3HB TYR 27 -7.267 3.677 6.557 183 HD1 TYR 27 1HD TYR 27 -6.467 5.840 6.213 184 HD2 TYR 27 2HD TYR 27 -10.463 5.272 7.728 185 HE1 TYR 27 1HE TYR 27 -6.687 8.293 6.519 186 HE2 TYR 27 2HE TYR 27 -10.666 7.736 8.091 187 HH TYR 27 HH TYR 27 -8.027 10.012 7.253 188 H TYR 28 H TYR 28 -7.182 4.342 3.795 189 HA TYR 28 HA TYR 28 -8.426 6.800 2.953 190 1HB TYR 28 2HB TYR 28 -5.933 5.307 2.111 191 2HB TYR 28 3HB TYR 28 -6.440 6.797 1.313 192 HD1 TYR 28 1HD TYR 28 -4.660 5.462 4.142 193 HD2 TYR 28 2HD TYR 28 -6.765 8.919 2.658 194 HE1 TYR 28 1HE TYR 28 -3.535 6.874 5.852 195 HE2 TYR 28 2HE TYR 28 -5.611 10.342 4.349 196 HH TYR 28 HH TYR 28 -3.287 8.985 6.717 197 H GLN 29 H GLN 29 -8.992 3.668 1.727 198 HA GLN 29 HA GLN 29 -10.020 2.804 -0.063 199 1HB GLN 29 2HB GLN 29 -11.243 5.507 -0.689 200 2HB GLN 29 3HB GLN 29 -11.854 3.904 -1.084 201 1HG GLN 29 2HG GLN 29 -11.774 5.260 1.627 202 2HG GLN 29 3HG GLN 29 -13.194 4.779 0.696 203 1HE2 GLN 29 2HE2 GLN 29 -11.547 3.978 3.392 204 2HE2 GLN 29 1HE2 GLN 29 -11.719 2.222 3.386 205 H SER 30 H SER 30 -7.401 3.552 -0.425 206 HA SER 30 HA SER 30 -7.176 4.398 -3.290 207 1HB SER 30 2HB SER 30 -5.075 5.527 -2.501 208 2HB SER 30 3HB SER 30 -6.564 6.161 -1.764 209 HG SER 30 HG SER 30 -4.996 5.787 -0.170 210 H CYS 31 H CYS 31 -7.023 1.614 -1.839 211 HA CYS 31 HA CYS 31 -4.393 0.589 -2.023 212 1HB CYS 31 2HB CYS 31 -7.022 -0.874 -2.465 213 2HB CYS 31 3HB CYS 31 -5.472 -1.566 -1.973 214 H CYS 32 H CYS 32 -3.548 -1.053 -3.476 215 HA CYS 32 HA CYS 32 -3.662 -0.542 -6.302 216 1HB CYS 32 2HB CYS 32 -2.644 -3.022 -6.226 217 2HB CYS 32 3HB CYS 32 -1.700 -1.596 -5.810 218 H THR 33 H THR 33 -4.379 -2.048 -7.962 219 HA THR 33 HA THR 33 -7.147 -2.289 -7.916 220 HB THR 33 HB THR 33 -6.857 -3.579 -10.069 221 HG1 THR 33 1HG THR 33 -4.747 -3.788 -10.819 222 1HG2 THR 33 1HG2 THR 33 -5.146 -1.063 -9.818 223 2HG2 THR 33 2HG2 THR 33 -5.859 -1.725 -11.304 224 3HG2 THR 33 3HG2 THR 33 -6.910 -1.096 -10.027 225 H ASP 34 H ASP 34 -4.928 -4.803 -6.914 226 HA ASP 34 HA ASP 34 -7.272 -6.457 -6.172 227 1HB ASP 34 2HB ASP 34 -6.279 -7.201 -8.403 228 2HB ASP 34 3HB ASP 34 -4.828 -7.672 -7.506 229 H TYR 35 H TYR 35 -5.574 -4.701 -4.659 230 HA TYR 35 HA TYR 35 -3.608 -5.402 -3.081 231 1HB TYR 35 2HB TYR 35 -4.836 -3.403 -2.758 232 2HB TYR 35 3HB TYR 35 -6.278 -4.280 -2.238 233 HD1 TYR 35 1HD TYR 35 -2.900 -3.109 -1.225 234 HD2 TYR 35 2HD TYR 35 -6.533 -5.065 0.050 235 HE1 TYR 35 1HE TYR 35 -2.292 -2.693 1.133 236 HE2 TYR 35 2HE TYR 35 -5.919 -4.628 2.423 237 HH TYR 35 HH TYR 35 -3.055 -2.659 3.267 238 H THR 36 H THR 36 -6.838 -6.747 -2.116 239 HA THR 36 HA THR 36 -5.717 -8.136 0.061 240 HB THR 36 HB THR 36 -8.271 -9.125 -1.185 241 HG1 THR 36 1HG THR 36 -9.331 -7.338 -0.329 242 1HG2 THR 36 1HG2 THR 36 -7.391 -8.415 1.660 243 2HG2 THR 36 2HG2 THR 36 -9.000 -9.031 1.213 244 3HG2 THR 36 3HG2 THR 36 -7.573 -10.051 1.008 245 H ALA 37 H ALA 37 -5.408 -9.071 -3.210 246 HA ALA 37 HA ALA 37 -4.555 -11.805 -2.321 247 1HB ALA 37 1HB ALA 37 -5.711 -10.992 -5.014 248 2HB ALA 37 2HB ALA 37 -5.147 -12.613 -4.558 249 3HB ALA 37 3HB ALA 37 -6.560 -11.908 -3.746 250 H GLU 38 H GLU 38 -3.703 -8.960 -4.292 251 HA GLU 38 HA GLU 38 -1.098 -10.216 -5.036 252 1HB GLU 38 2HB GLU 38 -2.655 -7.812 -6.038 253 2HB GLU 38 3HB GLU 38 -0.983 -8.117 -6.517 254 1HG GLU 38 2HG GLU 38 -3.217 -10.141 -6.936 255 2HG GLU 38 3HG GLU 38 -2.744 -8.933 -8.128 256 H CYS 39 H CYS 39 -2.287 -7.659 -2.905 257 HA CYS 39 HA CYS 39 0.530 -6.783 -2.497 258 1HB CYS 39 2HB CYS 39 -1.763 -5.018 -1.857 259 2HB CYS 39 3HB CYS 39 -0.129 -4.571 -2.194 260 H LYS 40 H LYS 40 -2.034 -8.238 -0.861 261 HA LYS 40 HA LYS 40 -2.503 -7.218 1.473 262 1HB LYS 40 2HB LYS 40 -3.306 -9.392 0.656 263 2HB LYS 40 3HB LYS 40 -1.834 -10.156 1.254 264 1HG LYS 40 2HG LYS 40 -2.449 -9.141 3.566 265 2HG LYS 40 3HG LYS 40 -4.024 -8.765 2.849 266 1HD LYS 40 2HD LYS 40 -2.755 -11.520 3.186 267 2HD LYS 40 3HD LYS 40 -4.093 -10.846 4.129 268 1HE LYS 40 2HE LYS 40 -5.489 -10.745 2.071 269 2HE LYS 40 3HE LYS 40 -4.164 -11.460 1.147 270 1HZ LYS 40 1HZ LYS 40 -5.565 -12.784 3.407 271 2HZ LYS 40 2HZ LYS 40 -5.757 -13.143 1.827 272 3HZ LYS 40 3HZ LYS 40 -4.329 -13.440 2.559 273 HA PRO 41 HA PRO 41 1.625 -6.657 3.288 274 1HB PRO 41 2HB PRO 41 1.086 -4.520 4.885 275 2HB PRO 41 3HB PRO 41 1.076 -4.396 3.102 276 1HG PRO 41 2HG PRO 41 -1.298 -4.806 4.949 277 2HG PRO 41 3HG PRO 41 -1.090 -3.588 3.643 278 1HD PRO 41 2HD PRO 41 -2.396 -5.950 3.248 279 2HD PRO 41 3HD PRO 41 -1.433 -5.156 1.964 280 H GLN 42 H GLN 42 2.188 -6.076 5.831 281 HA GLN 42 HA GLN 42 1.803 -8.343 7.422 282 1HB GLN 42 2HB GLN 42 3.226 -5.953 7.596 283 2HB GLN 42 3HB GLN 42 2.090 -5.801 8.937 284 1HG GLN 42 2HG GLN 42 4.087 -8.058 8.447 285 2HG GLN 42 3HG GLN 42 4.221 -6.782 9.656 286 1HE2 GLN 42 2HE2 GLN 42 2.706 -6.855 11.545 287 2HE2 GLN 42 1HE2 GLN 42 1.789 -8.336 11.849 288 H VAL 43 H VAL 43 0.569 -8.774 9.325 289 HA VAL 43 HA VAL 43 -2.098 -7.423 9.552 290 HB VAL 43 HB VAL 43 -1.548 -10.422 9.511 291 1HG1 VAL 43 1HG1 VAL 43 -3.441 -9.926 10.990 292 2HG1 VAL 43 2HG1 VAL 43 -4.177 -8.888 9.743 293 3HG1 VAL 43 3HG1 VAL 43 -4.028 -10.640 9.494 294 1HG2 VAL 43 1HG2 VAL 43 -1.428 -9.545 7.233 295 2HG2 VAL 43 2HG2 VAL 43 -2.937 -10.425 7.439 296 3HG2 VAL 43 3HG2 VAL 43 -2.945 -8.646 7.461 297 H THR 44 H THR 44 -2.940 -7.270 11.598 298 HA THR 44 HA THR 44 -1.620 -8.603 13.887 299 HB THR 44 HB THR 44 -1.389 -6.630 15.188 300 HG1 THR 44 1HG THR 44 -1.836 -4.567 14.237 301 1HG2 THR 44 1HG2 THR 44 0.509 -7.047 13.614 302 2HG2 THR 44 2HG2 THR 44 -0.211 -5.875 12.487 303 3HG2 THR 44 3HG2 THR 44 0.332 -5.354 14.095 304 H ARG 45 H ARG 45 -2.854 -8.264 15.917 305 HA ARG 45 HA ARG 45 -5.682 -8.696 15.728 306 1HB ARG 45 2HB ARG 45 -3.620 -8.802 17.732 307 2HB ARG 45 3HB ARG 45 -4.813 -7.669 18.331 308 1HG ARG 45 2HG ARG 45 -5.441 -9.772 19.178 309 2HG ARG 45 3HG ARG 45 -6.590 -9.451 17.862 310 1HD ARG 45 2HD ARG 45 -5.223 -10.908 16.355 311 2HD ARG 45 3HD ARG 45 -4.076 -11.173 17.683 312 HE ARG 45 HE ARG 45 -6.820 -11.876 18.377 313 1HH1 ARG 45 1HH2 ARG 45 -3.919 -13.191 16.844 314 2HH1 ARG 45 2HH2 ARG 45 -4.391 -14.829 17.228 315 1HH2 ARG 45 1HH1 ARG 45 -7.322 -13.987 18.808 316 2HH2 ARG 45 2HH1 ARG 45 -6.257 -15.262 18.294 317 H GLY 46 H GLY 46 -4.003 -5.752 15.475 318 1HA GLY 46 2HA GLY 46 -4.752 -3.572 15.263 319 2HA GLY 46 3HA GLY 46 -6.397 -4.092 15.637 320 H ASP 47 H ASP 47 -6.241 -5.159 18.138 321 HA ASP 47 HA ASP 47 -5.781 -2.904 19.874 322 1HB ASP 47 2HB ASP 47 -7.626 -4.596 20.110 323 2HB ASP 47 3HB ASP 47 -6.417 -5.802 20.551 324 H VAL 48 H VAL 48 -3.824 -5.325 18.859 325 HA VAL 48 HA VAL 48 -1.495 -4.481 20.416 326 HB VAL 48 HB VAL 48 -0.765 -6.785 21.001 327 1HG1 VAL 48 1HG1 VAL 48 -3.342 -6.052 22.420 328 2HG1 VAL 48 2HG1 VAL 48 -1.992 -7.016 23.047 329 3HG1 VAL 48 3HG1 VAL 48 -1.760 -5.292 22.710 330 1HG2 VAL 48 1HG2 VAL 48 -2.352 -8.620 21.198 331 2HG2 VAL 48 2HG2 VAL 48 -3.644 -7.633 20.493 332 3HG2 VAL 48 3HG2 VAL 48 -2.234 -8.106 19.512 333 H PHE 49 H PHE 49 0.527 -5.312 19.538 334 HA PHE 49 HA PHE 49 0.515 -5.331 16.657 335 1HB PHE 49 2HB PHE 49 2.817 -5.823 18.579 336 2HB PHE 49 3HB PHE 49 2.936 -5.333 16.885 337 HD1 PHE 49 1HD PHE 49 1.628 -3.085 16.258 338 HD2 PHE 49 2HD PHE 49 2.959 -4.139 20.227 339 HE1 PHE 49 1HE PHE 49 1.528 -0.694 16.930 340 HE2 PHE 49 2HE PHE 49 2.860 -1.748 20.891 341 HZ PHE 49 HZ PHE 49 2.142 -0.024 19.246 342 H THR 50 H THR 50 0.344 -7.962 18.893 343 HA THR 50 HA THR 50 1.565 -10.084 17.461 344 HB THR 50 HB THR 50 -1.032 -10.259 19.039 345 HG1 THR 50 1HG THR 50 0.309 -10.489 20.856 346 1HG2 THR 50 1HG2 THR 50 -0.345 -12.394 18.027 347 2HG2 THR 50 2HG2 THR 50 1.298 -12.203 18.682 348 3HG2 THR 50 3HG2 THR 50 -0.086 -12.449 19.770 349 H MET 51 H MET 51 0.768 -11.541 15.888 350 HA MET 51 HA MET 51 -0.978 -10.646 13.828 351 1HB MET 51 2HB MET 51 0.012 -13.416 14.580 352 2HB MET 51 3HB MET 51 -0.987 -13.088 13.158 353 1HG MET 51 2HG MET 51 0.671 -11.492 12.307 354 2HG MET 51 3HG MET 51 1.714 -11.806 13.708 355 1HE MET 51 1HE MET 51 3.580 -13.388 10.599 356 2HE MET 51 2HE MET 51 2.493 -11.986 10.545 357 3HE MET 51 3HE MET 51 3.649 -12.161 11.885 Start of MODEL 6 1 1H ASP 1 1H ASP 1 -6.726 4.574 -15.106 2 2H ASP 1 2H ASP 1 -7.041 3.948 -16.590 3 3H ASP 1 3H ASP 1 -7.483 3.127 -15.233 4 HA ASP 1 HA ASP 1 -5.559 2.075 -16.139 5 1HB ASP 1 2HB ASP 1 -4.335 4.865 -16.005 6 2HB ASP 1 3HB ASP 1 -3.421 3.374 -16.289 7 H GLN 2 H GLN 2 -4.026 1.094 -14.794 8 HA GLN 2 HA GLN 2 -3.690 2.042 -11.999 9 1HB GLN 2 2HB GLN 2 -4.989 -0.548 -12.915 10 2HB GLN 2 3HB GLN 2 -4.190 -0.437 -11.353 11 1HG GLN 2 2HG GLN 2 -6.470 1.409 -12.180 12 2HG GLN 2 3HG GLN 2 -6.674 -0.090 -11.289 13 1HE2 GLN 2 2HE2 GLN 2 -5.690 -0.282 -9.135 14 2HE2 GLN 2 1HE2 GLN 2 -5.432 1.200 -8.195 15 H GLU 3 H GLU 3 -2.157 0.421 -10.817 16 HA GLU 3 HA GLU 3 0.034 -0.526 -12.589 17 1HB GLU 3 2HB GLU 3 0.263 1.955 -12.033 18 2HB GLU 3 3HB GLU 3 0.462 1.478 -10.338 19 1HG GLU 3 2HG GLU 3 2.465 0.135 -10.994 20 2HG GLU 3 3HG GLU 3 2.224 0.610 -12.677 21 H SER 4 H SER 4 1.261 -2.160 -11.724 22 HA SER 4 HA SER 4 0.045 -3.772 -9.696 23 1HB SER 4 2HB SER 4 1.192 -4.672 -11.668 24 2HB SER 4 3HB SER 4 2.745 -4.037 -11.075 25 HG SER 4 HG SER 4 2.223 -6.321 -10.605 26 H CYS 5 H CYS 5 0.762 -4.489 -7.687 27 HA CYS 5 HA CYS 5 2.479 -2.785 -6.078 28 1HB CYS 5 2HB CYS 5 0.437 -3.970 -5.382 29 2HB CYS 5 3HB CYS 5 1.249 -5.532 -5.580 30 H LYS 6 H LYS 6 3.331 -5.272 -8.291 31 HA LYS 6 HA LYS 6 5.070 -6.783 -6.646 32 1HB LYS 6 2HB LYS 6 3.991 -7.210 -9.051 33 2HB LYS 6 3HB LYS 6 5.527 -6.589 -9.631 34 1HG LYS 6 2HG LYS 6 5.639 -8.986 -9.537 35 2HG LYS 6 3HG LYS 6 6.712 -8.339 -8.287 36 1HD LYS 6 2HD LYS 6 5.434 -10.341 -7.557 37 2HD LYS 6 3HD LYS 6 5.117 -8.945 -6.533 38 1HE LYS 6 2HE LYS 6 2.985 -8.528 -7.780 39 2HE LYS 6 3HE LYS 6 3.318 -9.938 -8.794 40 1HZ LYS 6 1HZ LYS 6 2.864 -9.991 -5.857 41 2HZ LYS 6 2HZ LYS 6 1.810 -10.501 -6.999 42 3HZ LYS 6 3HZ LYS 6 3.212 -11.308 -6.770 43 H GLY 7 H GLY 7 6.650 -6.017 -5.567 44 1HA GLY 7 2HA GLY 7 9.045 -5.410 -5.552 45 2HA GLY 7 3HA GLY 7 8.687 -4.156 -6.748 46 H ARG 8 H ARG 8 6.087 -3.993 -4.715 47 HA ARG 8 HA ARG 8 7.353 -1.916 -2.934 48 1HB ARG 8 2HB ARG 8 4.801 -1.768 -4.596 49 2HB ARG 8 3HB ARG 8 5.305 -0.566 -3.407 50 1HG ARG 8 2HG ARG 8 7.449 -0.253 -4.670 51 2HG ARG 8 3HG ARG 8 6.808 -1.301 -5.945 52 1HD ARG 8 2HD ARG 8 5.479 1.268 -4.978 53 2HD ARG 8 3HD ARG 8 6.582 1.132 -6.363 54 HE ARG 8 HE ARG 8 4.348 -0.710 -6.566 55 1HH1 ARG 8 1HH2 ARG 8 5.228 2.653 -7.266 56 2HH1 ARG 8 2HH2 ARG 8 4.060 2.686 -8.591 57 1HH2 ARG 8 1HH1 ARG 8 2.938 -0.435 -8.313 58 2HH2 ARG 8 2HH1 ARG 8 2.862 1.173 -9.042 59 H CYS 9 H CYS 9 4.706 -4.273 -3.101 60 HA CYS 9 HA CYS 9 3.050 -3.731 -1.174 61 1HB CYS 9 2HB CYS 9 4.379 -6.451 -1.255 62 2HB CYS 9 3HB CYS 9 2.705 -6.065 -0.835 63 H THR 10 H THR 10 2.861 -3.131 0.805 64 HA THR 10 HA THR 10 3.116 -2.683 2.955 65 HB THR 10 HB THR 10 5.131 -4.879 3.430 66 HG1 THR 10 1HG THR 10 3.550 -5.834 2.200 67 1HG2 THR 10 1HG2 THR 10 3.749 -5.193 5.491 68 2HG2 THR 10 2HG2 THR 10 4.463 -3.583 5.423 69 3HG2 THR 10 3HG2 THR 10 2.752 -3.798 5.017 70 H GLU 11 H GLU 11 4.950 -1.432 0.966 71 HA GLU 11 HA GLU 11 7.468 -0.861 2.180 72 1HB GLU 11 2HB GLU 11 7.489 1.111 0.707 73 2HB GLU 11 3HB GLU 11 7.201 -0.377 -0.150 74 1HG GLU 11 2HG GLU 11 4.885 0.208 -0.578 75 2HG GLU 11 3HG GLU 11 4.888 1.415 0.703 76 H GLY 12 H GLY 12 4.420 0.247 3.286 77 1HA GLY 12 2HA GLY 12 4.069 1.742 5.102 78 2HA GLY 12 3HA GLY 12 5.575 2.592 4.754 79 H PHE 13 H PHE 13 2.634 3.378 4.917 80 HA PHE 13 HA PHE 13 1.608 3.969 2.348 81 1HB PHE 13 2HB PHE 13 0.250 3.669 4.311 82 2HB PHE 13 3HB PHE 13 1.029 5.034 5.128 83 HD1 PHE 13 1HD PHE 13 -1.348 3.996 2.464 84 HD2 PHE 13 2HD PHE 13 0.319 7.295 4.704 85 HE1 PHE 13 1HE PHE 13 -3.203 5.459 1.705 86 HE2 PHE 13 2HE PHE 13 -1.523 8.759 3.903 87 HZ PHE 13 HZ PHE 13 -3.263 7.835 2.398 88 H ASN 14 H ASN 14 1.459 5.750 1.083 89 HA ASN 14 HA ASN 14 2.396 8.390 1.850 90 1HB ASN 14 2HB ASN 14 4.554 7.332 1.251 91 2HB ASN 14 3HB ASN 14 3.907 6.870 -0.330 92 1HD2 ASN 14 2HD2 ASN 14 6.203 8.315 -0.313 93 2HD2 ASN 14 1HD2 ASN 14 5.865 9.970 -0.819 94 H VAL 15 H VAL 15 0.336 9.063 1.385 95 HA VAL 15 HA VAL 15 -1.287 8.092 -0.624 96 HB VAL 15 HB VAL 15 -1.800 9.393 1.511 97 1HG1 VAL 15 1HG1 VAL 15 -2.555 11.611 1.372 98 2HG1 VAL 15 2HG1 VAL 15 -0.842 11.559 0.922 99 3HG1 VAL 15 3HG1 VAL 15 -2.089 11.744 -0.342 100 1HG2 VAL 15 1HG2 VAL 15 -4.075 9.737 0.793 101 2HG2 VAL 15 2HG2 VAL 15 -3.587 9.705 -0.914 102 3HG2 VAL 15 3HG2 VAL 15 -3.429 8.245 0.095 103 H ASP 16 H ASP 16 1.243 10.270 -1.271 104 HA ASP 16 HA ASP 16 0.147 11.508 -3.659 105 1HB ASP 16 2HB ASP 16 2.060 12.390 -2.338 106 2HB ASP 16 3HB ASP 16 3.018 10.985 -2.837 107 H LYS 17 H LYS 17 1.584 8.340 -3.007 108 HA LYS 17 HA LYS 17 2.451 7.790 -5.716 109 1HB LYS 17 2HB LYS 17 1.995 5.981 -3.299 110 2HB LYS 17 3HB LYS 17 2.605 5.406 -4.861 111 1HG LYS 17 2HG LYS 17 4.465 7.093 -4.714 112 2HG LYS 17 3HG LYS 17 3.941 7.467 -3.056 113 1HD LYS 17 2HD LYS 17 4.363 5.140 -2.372 114 2HD LYS 17 3HD LYS 17 4.743 4.691 -4.054 115 1HE LYS 17 2HE LYS 17 6.616 6.366 -4.034 116 2HE LYS 17 3HE LYS 17 6.289 6.662 -2.314 117 1HZ LYS 17 1HZ LYS 17 8.052 5.016 -2.588 118 2HZ LYS 17 2HZ LYS 17 6.748 4.283 -1.911 119 3HZ LYS 17 3HZ LYS 17 7.080 4.043 -3.479 120 H LYS 18 H LYS 18 1.712 6.351 -7.223 121 HA LYS 18 HA LYS 18 -1.038 6.432 -7.868 122 1HB LYS 18 2HB LYS 18 0.695 6.276 -9.546 123 2HB LYS 18 3HB LYS 18 1.209 4.696 -8.944 124 1HG LYS 18 2HG LYS 18 -0.047 4.488 -11.026 125 2HG LYS 18 3HG LYS 18 -0.906 3.697 -9.700 126 1HD LYS 18 2HD LYS 18 -2.326 5.819 -9.497 127 2HD LYS 18 3HD LYS 18 -1.545 6.399 -10.980 128 1HE LYS 18 2HE LYS 18 -2.362 4.432 -12.209 129 2HE LYS 18 3HE LYS 18 -3.013 3.737 -10.716 130 1HZ LYS 18 1HZ LYS 18 -4.731 4.807 -12.032 131 2HZ LYS 18 2HZ LYS 18 -4.585 5.555 -10.588 132 3HZ LYS 18 3HZ LYS 18 -3.979 6.262 -11.940 133 H CYS 19 H CYS 19 0.666 3.985 -6.006 134 HA CYS 19 HA CYS 19 -1.999 2.746 -5.482 135 1HB CYS 19 2HB CYS 19 -1.148 0.596 -5.256 136 2HB CYS 19 3HB CYS 19 -0.496 1.162 -6.793 137 H GLN 20 H GLN 20 -2.513 2.430 -3.421 138 HA GLN 20 HA GLN 20 -0.494 3.064 -1.301 139 1HB GLN 20 2HB GLN 20 -3.520 2.829 -1.112 140 2HB GLN 20 3HB GLN 20 -2.412 3.233 0.212 141 1HG GLN 20 2HG GLN 20 -2.958 4.901 -2.274 142 2HG GLN 20 3HG GLN 20 -3.302 5.339 -0.603 143 1HE2 GLN 20 2HE2 GLN 20 -1.248 6.223 -3.059 144 2HE2 GLN 20 1HE2 GLN 20 0.154 6.579 -2.043 145 H CYS 21 H CYS 21 0.461 1.162 -2.251 146 HA CYS 21 HA CYS 21 -0.541 -1.502 -1.818 147 1HB CYS 21 2HB CYS 21 2.195 -0.244 -2.385 148 2HB CYS 21 3HB CYS 21 1.910 -1.974 -2.309 149 H ASP 22 H ASP 22 -0.930 -0.162 0.638 150 HA ASP 22 HA ASP 22 0.817 -1.542 2.555 151 1HB ASP 22 2HB ASP 22 1.952 0.653 1.884 152 2HB ASP 22 3HB ASP 22 0.566 1.496 2.599 153 H GLU 23 H GLU 23 0.159 -1.032 4.825 154 HA GLU 23 HA GLU 23 -2.319 -2.087 5.315 155 1HB GLU 23 2HB GLU 23 -0.773 -0.332 7.259 156 2HB GLU 23 3HB GLU 23 -1.867 -1.666 7.632 157 1HG GLU 23 2HG GLU 23 -0.236 -3.192 6.389 158 2HG GLU 23 3HG GLU 23 0.898 -1.837 6.337 159 H LEU 24 H LEU 24 -1.626 1.432 5.355 160 HA LEU 24 HA LEU 24 -4.178 2.116 6.583 161 1HB LEU 24 2HB LEU 24 -2.125 3.854 5.179 162 2HB LEU 24 3HB LEU 24 -3.489 4.441 6.121 163 HG LEU 24 HG LEU 24 -1.101 2.877 7.183 164 1HD1 LEU 24 1HD1 LEU 24 -0.714 5.271 6.654 165 2HD1 LEU 24 2HD1 LEU 24 -2.068 5.719 7.708 166 3HD1 LEU 24 3HD1 LEU 24 -0.618 4.946 8.391 167 1HD2 LEU 24 1HD2 LEU 24 -3.571 3.900 8.657 168 2HD2 LEU 24 2HD2 LEU 24 -3.050 2.205 8.498 169 3HD2 LEU 24 3HD2 LEU 24 -2.078 3.333 9.442 170 H CYS 25 H CYS 25 -3.545 1.191 3.348 171 HA CYS 25 HA CYS 25 -5.063 3.075 1.924 172 1HB CYS 25 2HB CYS 25 -5.031 1.615 0.157 173 2HB CYS 25 3HB CYS 25 -3.599 1.161 1.092 174 H SER 26 H SER 26 -6.294 0.473 3.930 175 HA SER 26 HA SER 26 -8.979 0.329 2.999 176 1HB SER 26 2HB SER 26 -7.664 -1.247 4.530 177 2HB SER 26 3HB SER 26 -8.054 -0.136 5.854 178 HG SER 26 HG SER 26 -9.565 -1.878 5.628 179 H TYR 27 H TYR 27 -7.465 2.915 4.608 180 HA TYR 27 HA TYR 27 -10.047 4.166 5.448 181 1HB TYR 27 2HB TYR 27 -8.726 3.980 7.331 182 2HB TYR 27 3HB TYR 27 -7.226 4.198 6.463 183 HD1 TYR 27 1HD TYR 27 -10.265 6.144 7.557 184 HD2 TYR 27 2HD TYR 27 -6.079 6.178 6.536 185 HE1 TYR 27 1HE TYR 27 -10.117 8.553 8.210 186 HE2 TYR 27 2HE TYR 27 -5.937 8.591 7.123 187 HH TYR 27 HH TYR 27 -7.072 10.423 7.926 188 H TYR 28 H TYR 28 -7.845 4.204 2.892 189 HA TYR 28 HA TYR 28 -8.530 7.027 2.139 190 1HB TYR 28 2HB TYR 28 -5.992 5.422 1.780 191 2HB TYR 28 3HB TYR 28 -6.361 6.808 0.757 192 HD1 TYR 28 1HD TYR 28 -5.203 5.781 4.057 193 HD2 TYR 28 2HD TYR 28 -6.644 9.086 1.689 194 HE1 TYR 28 1HE TYR 28 -4.134 7.383 5.634 195 HE2 TYR 28 2HE TYR 28 -5.613 10.687 3.287 196 HH TYR 28 HH TYR 28 -4.352 10.937 5.188 197 H GLN 29 H GLN 29 -9.070 3.796 1.203 198 HA GLN 29 HA GLN 29 -9.954 2.817 -0.635 199 1HB GLN 29 2HB GLN 29 -11.212 5.565 -1.014 200 2HB GLN 29 3HB GLN 29 -11.740 4.074 -1.781 201 1HG GLN 29 2HG GLN 29 -13.216 4.487 0.025 202 2HG GLN 29 3HG GLN 29 -12.235 3.072 0.433 203 1HE2 GLN 29 2HE2 GLN 29 -12.217 6.694 0.942 204 2HE2 GLN 29 1HE2 GLN 29 -11.608 6.552 2.593 205 H SER 30 H SER 30 -7.326 3.848 -1.035 206 HA SER 30 HA SER 30 -7.206 4.361 -3.993 207 1HB SER 30 2HB SER 30 -5.516 5.560 -1.762 208 2HB SER 30 3HB SER 30 -5.238 5.801 -3.500 209 HG SER 30 HG SER 30 -7.538 6.576 -2.004 210 H CYS 31 H CYS 31 -6.970 1.826 -2.394 211 HA CYS 31 HA CYS 31 -4.237 0.989 -2.244 212 1HB CYS 31 2HB CYS 31 -6.664 0.135 -1.253 213 2HB CYS 31 3HB CYS 31 -6.377 -1.057 -2.528 214 H CYS 32 H CYS 32 -3.416 -1.020 -3.352 215 HA CYS 32 HA CYS 32 -3.427 -0.875 -6.241 216 1HB CYS 32 2HB CYS 32 -2.412 -3.234 -5.962 217 2HB CYS 32 3HB CYS 32 -1.505 -1.855 -5.340 218 H THR 33 H THR 33 -4.455 -2.241 -7.739 219 HA THR 33 HA THR 33 -7.169 -2.506 -7.412 220 HB THR 33 HB THR 33 -5.625 -4.155 -9.427 221 HG1 THR 33 1HG THR 33 -5.286 -2.338 -10.577 222 1HG2 THR 33 1HG2 THR 33 -8.080 -4.264 -9.654 223 2HG2 THR 33 2HG2 THR 33 -8.182 -2.488 -9.612 224 3HG2 THR 33 3HG2 THR 33 -7.397 -3.314 -10.976 225 H ASP 34 H ASP 34 -4.851 -4.944 -6.554 226 HA ASP 34 HA ASP 34 -7.013 -6.898 -5.883 227 1HB ASP 34 2HB ASP 34 -4.373 -7.440 -7.302 228 2HB ASP 34 3HB ASP 34 -5.431 -8.697 -6.647 229 H TYR 35 H TYR 35 -5.775 -4.966 -4.116 230 HA TYR 35 HA TYR 35 -3.547 -5.590 -2.754 231 1HB TYR 35 2HB TYR 35 -4.797 -3.614 -2.195 232 2HB TYR 35 3HB TYR 35 -6.161 -4.575 -1.627 233 HD1 TYR 35 1HD TYR 35 -6.250 -5.476 0.586 234 HD2 TYR 35 2HD TYR 35 -2.701 -3.420 -0.770 235 HE1 TYR 35 1HE TYR 35 -5.403 -5.379 2.924 236 HE2 TYR 35 2HE TYR 35 -1.856 -3.350 1.559 237 HH TYR 35 HH TYR 35 -2.283 -3.845 3.752 238 H THR 36 H THR 36 -6.666 -7.152 -1.806 239 HA THR 36 HA THR 36 -5.523 -8.689 0.308 240 HB THR 36 HB THR 36 -7.688 -10.102 -0.043 241 HG1 THR 36 1HG THR 36 -9.256 -8.982 -1.208 242 1HG2 THR 36 1HG2 THR 36 -7.879 -7.132 0.590 243 2HG2 THR 36 2HG2 THR 36 -8.976 -8.420 1.138 244 3HG2 THR 36 3HG2 THR 36 -7.297 -8.388 1.708 245 H ALA 37 H ALA 37 -5.146 -9.264 -3.031 246 HA ALA 37 HA ALA 37 -4.423 -12.130 -2.510 247 1HB ALA 37 1HB ALA 37 -5.462 -10.832 -5.061 248 2HB ALA 37 2HB ALA 37 -5.035 -12.543 -4.850 249 3HB ALA 37 3HB ALA 37 -6.404 -11.858 -3.953 250 H GLU 38 H GLU 38 -3.315 -9.072 -3.895 251 HA GLU 38 HA GLU 38 -0.725 -10.358 -4.699 252 1HB GLU 38 2HB GLU 38 -2.228 -7.951 -5.788 253 2HB GLU 38 3HB GLU 38 -0.587 -8.381 -6.272 254 1HG GLU 38 2HG GLU 38 -3.067 -10.112 -6.652 255 2HG GLU 38 3HG GLU 38 -2.260 -9.161 -7.894 256 H CYS 39 H CYS 39 -2.001 -7.903 -2.531 257 HA CYS 39 HA CYS 39 0.770 -6.858 -2.143 258 1HB CYS 39 2HB CYS 39 -1.668 -5.298 -1.476 259 2HB CYS 39 3HB CYS 39 -0.064 -4.708 -1.812 260 H LYS 40 H LYS 40 -1.895 -8.343 -0.577 261 HA LYS 40 HA LYS 40 -2.067 -7.330 1.870 262 1HB LYS 40 2HB LYS 40 -3.464 -9.103 0.926 263 2HB LYS 40 3HB LYS 40 -2.206 -10.283 1.199 264 1HG LYS 40 2HG LYS 40 -3.771 -10.562 2.943 265 2HG LYS 40 3HG LYS 40 -2.372 -9.775 3.688 266 1HD LYS 40 2HD LYS 40 -3.592 -7.569 3.517 267 2HD LYS 40 3HD LYS 40 -4.980 -8.431 2.826 268 1HE LYS 40 2HE LYS 40 -5.145 -9.811 4.873 269 2HE LYS 40 3HE LYS 40 -3.726 -9.005 5.553 270 1HZ LYS 40 1HZ LYS 40 -4.984 -6.913 5.536 271 2HZ LYS 40 2HZ LYS 40 -6.303 -7.662 4.915 272 3HZ LYS 40 3HZ LYS 40 -5.778 -8.037 6.410 273 HA PRO 41 HA PRO 41 1.979 -7.742 3.922 274 1HB PRO 41 2HB PRO 41 0.083 -7.271 6.234 275 2HB PRO 41 3HB PRO 41 1.711 -6.575 5.959 276 1HG PRO 41 2HG PRO 41 -0.568 -5.178 5.403 277 2HG PRO 41 3HG PRO 41 0.865 -5.063 4.329 278 1HD PRO 41 2HD PRO 41 -1.692 -6.541 3.892 279 2HD PRO 41 3HD PRO 41 -0.585 -5.783 2.717 280 H GLN 42 H GLN 42 3.031 -9.322 5.110 281 HA GLN 42 HA GLN 42 1.663 -11.854 5.580 282 1HB GLN 42 2HB GLN 42 3.967 -11.664 4.638 283 2HB GLN 42 3HB GLN 42 4.540 -11.097 6.221 284 1HG GLN 42 2HG GLN 42 3.738 -13.246 7.243 285 2HG GLN 42 3HG GLN 42 3.114 -13.739 5.670 286 1HE2 GLN 42 2HE2 GLN 42 4.444 -15.666 5.931 287 2HE2 GLN 42 1HE2 GLN 42 6.175 -15.575 5.554 288 H VAL 43 H VAL 43 0.106 -11.171 7.107 289 HA VAL 43 HA VAL 43 0.576 -10.176 9.729 290 HB VAL 43 HB VAL 43 -1.591 -12.035 8.663 291 1HG1 VAL 43 1HG1 VAL 43 -2.971 -11.202 10.574 292 2HG1 VAL 43 2HG1 VAL 43 -1.634 -12.216 11.092 293 3HG1 VAL 43 3HG1 VAL 43 -1.523 -10.443 11.267 294 1HG2 VAL 43 1HG2 VAL 43 -2.951 -9.965 8.578 295 2HG2 VAL 43 2HG2 VAL 43 -1.547 -9.016 9.113 296 3HG2 VAL 43 3HG2 VAL 43 -1.535 -9.832 7.536 297 H THR 44 H THR 44 1.073 -11.101 11.676 298 HA THR 44 HA THR 44 1.792 -13.991 11.792 299 HB THR 44 HB THR 44 3.747 -13.298 13.231 300 HG1 THR 44 1HG THR 44 4.403 -11.145 13.047 301 1HG2 THR 44 1HG2 THR 44 5.207 -12.698 11.402 302 2HG2 THR 44 2HG2 THR 44 4.024 -13.888 10.832 303 3HG2 THR 44 3HG2 THR 44 3.831 -12.173 10.409 304 H ARG 45 H ARG 45 -0.600 -12.814 12.627 305 HA ARG 45 HA ARG 45 -0.809 -12.205 15.403 306 1HB ARG 45 2HB ARG 45 -2.413 -11.607 13.603 307 2HB ARG 45 3HB ARG 45 -2.918 -13.296 13.482 308 1HG ARG 45 2HG ARG 45 -3.838 -13.217 15.758 309 2HG ARG 45 3HG ARG 45 -3.186 -11.574 15.988 310 1HD ARG 45 2HD ARG 45 -4.636 -10.765 14.144 311 2HD ARG 45 3HD ARG 45 -5.279 -12.409 13.935 312 HE ARG 45 HE ARG 45 -5.608 -11.616 16.661 313 1HH1 ARG 45 1HH2 ARG 45 -7.001 -10.836 13.542 314 2HH1 ARG 45 2HH2 ARG 45 -8.518 -10.342 14.242 315 1HH2 ARG 45 1HH1 ARG 45 -7.564 -10.969 17.488 316 2HH2 ARG 45 2HH1 ARG 45 -8.820 -10.414 16.420 317 H GLY 46 H GLY 46 -0.496 -15.339 13.959 318 1HA GLY 46 2HA GLY 46 -0.317 -17.422 15.037 319 2HA GLY 46 3HA GLY 46 -0.949 -16.733 16.533 320 H ASP 47 H ASP 47 -2.788 -15.987 13.723 321 HA ASP 47 HA ASP 47 -4.749 -18.186 14.102 322 1HB ASP 47 2HB ASP 47 -5.218 -16.253 15.665 323 2HB ASP 47 3HB ASP 47 -5.430 -15.219 14.254 324 H VAL 48 H VAL 48 -2.878 -17.580 11.954 325 HA VAL 48 HA VAL 48 -4.686 -17.445 9.639 326 HB VAL 48 HB VAL 48 -4.057 -15.080 10.206 327 1HG1 VAL 48 1HG1 VAL 48 -1.239 -15.868 9.360 328 2HG1 VAL 48 2HG1 VAL 48 -1.829 -14.240 9.697 329 3HG1 VAL 48 3HG1 VAL 48 -1.749 -15.428 11.005 330 1HG2 VAL 48 1HG2 VAL 48 -4.712 -15.744 7.912 331 2HG2 VAL 48 2HG2 VAL 48 -3.617 -14.356 7.976 332 3HG2 VAL 48 3HG2 VAL 48 -2.989 -15.934 7.498 333 H PHE 49 H PHE 49 -3.615 -18.133 7.639 334 HA PHE 49 HA PHE 49 -1.583 -20.212 8.212 335 1HB PHE 49 2HB PHE 49 -3.432 -19.796 5.839 336 2HB PHE 49 3HB PHE 49 -2.378 -21.190 6.098 337 HD1 PHE 49 1HD PHE 49 -2.692 -22.569 8.276 338 HD2 PHE 49 2HD PHE 49 -5.656 -19.845 6.723 339 HE1 PHE 49 1HE PHE 49 -4.445 -23.709 9.617 340 HE2 PHE 49 2HE PHE 49 -7.405 -20.989 8.066 341 HZ PHE 49 HZ PHE 49 -6.802 -22.920 9.515 342 H THR 50 H THR 50 -1.317 -17.089 7.122 343 HA THR 50 HA THR 50 0.637 -17.483 4.972 344 HB THR 50 HB THR 50 0.856 -14.966 5.191 345 HG1 THR 50 1HG THR 50 -0.743 -13.972 6.454 346 1HG2 THR 50 1HG2 THR 50 -0.732 -16.011 3.594 347 2HG2 THR 50 2HG2 THR 50 -1.992 -16.001 4.848 348 3HG2 THR 50 3HG2 THR 50 -1.328 -14.471 4.232 349 H MET 51 H MET 51 1.001 -18.128 8.125 350 HA MET 51 HA MET 51 3.797 -17.099 8.350 351 1HB MET 51 2HB MET 51 3.435 -16.763 10.725 352 2HB MET 51 3HB MET 51 2.300 -15.797 9.782 353 1HG MET 51 2HG MET 51 0.533 -17.490 10.171 354 2HG MET 51 3HG MET 51 1.656 -18.444 11.153 355 1HE MET 51 1HE MET 51 3.168 -16.358 13.001 356 2HE MET 51 2HE MET 51 2.068 -16.346 14.393 357 3HE MET 51 3HE MET 51 2.419 -17.874 13.557 Start of MODEL 7 1 1H ASP 1 1H ASP 1 -4.813 4.806 -12.742 2 2H ASP 1 2H ASP 1 -3.916 6.172 -12.640 3 3H ASP 1 3H ASP 1 -4.758 5.852 -14.011 4 HA ASP 1 HA ASP 1 -3.399 3.959 -14.509 5 1HB ASP 1 2HB ASP 1 -2.662 6.164 -15.352 6 2HB ASP 1 3HB ASP 1 -1.717 6.419 -13.874 7 H GLN 2 H GLN 2 -2.652 2.188 -13.550 8 HA GLN 2 HA GLN 2 -1.240 2.326 -10.922 9 1HB GLN 2 2HB GLN 2 -3.892 1.009 -11.592 10 2HB GLN 2 3HB GLN 2 -2.811 0.222 -10.463 11 1HG GLN 2 2HG GLN 2 -4.299 1.468 -9.143 12 2HG GLN 2 3HG GLN 2 -2.737 2.256 -9.070 13 1HE2 GLN 2 2HE2 GLN 2 -3.523 4.306 -8.475 14 2HE2 GLN 2 1HE2 GLN 2 -4.603 5.254 -9.507 15 H GLU 3 H GLU 3 -0.361 0.221 -10.267 16 HA GLU 3 HA GLU 3 0.422 -1.644 -12.446 17 1HB GLU 3 2HB GLU 3 2.357 -0.203 -10.586 18 2HB GLU 3 3HB GLU 3 2.759 -1.553 -11.672 19 1HG GLU 3 2HG GLU 3 2.230 -0.168 -13.629 20 2HG GLU 3 3HG GLU 3 1.829 1.193 -12.569 21 H SER 4 H SER 4 1.618 -3.568 -11.495 22 HA SER 4 HA SER 4 0.152 -4.717 -9.282 23 1HB SER 4 2HB SER 4 1.583 -6.671 -9.685 24 2HB SER 4 3HB SER 4 0.921 -6.036 -11.207 25 HG SER 4 HG SER 4 3.128 -6.459 -11.450 26 H CYS 5 H CYS 5 1.208 -5.799 -7.454 27 HA CYS 5 HA CYS 5 2.481 -3.908 -5.798 28 1HB CYS 5 2HB CYS 5 0.904 -5.852 -5.281 29 2HB CYS 5 3HB CYS 5 2.341 -6.893 -5.284 30 H LYS 6 H LYS 6 4.225 -5.543 -8.142 31 HA LYS 6 HA LYS 6 6.324 -6.738 -6.606 32 1HB LYS 6 2HB LYS 6 6.177 -5.845 -9.505 33 2HB LYS 6 3HB LYS 6 7.565 -6.712 -8.812 34 1HG LYS 6 2HG LYS 6 6.162 -8.624 -8.221 35 2HG LYS 6 3HG LYS 6 4.700 -7.766 -8.746 36 1HD LYS 6 2HD LYS 6 5.350 -9.373 -10.424 37 2HD LYS 6 3HD LYS 6 5.504 -7.730 -11.058 38 1HE LYS 6 2HE LYS 6 7.966 -7.817 -10.651 39 2HE LYS 6 3HE LYS 6 7.798 -9.448 -9.989 40 1HZ LYS 6 1HZ LYS 6 8.475 -9.500 -12.320 41 2HZ LYS 6 2HZ LYS 6 6.998 -10.174 -12.178 42 3HZ LYS 6 3HZ LYS 6 7.155 -8.664 -12.785 43 H GLY 7 H GLY 7 7.875 -5.912 -5.513 44 1HA GLY 7 2HA GLY 7 9.562 -4.527 -4.751 45 2HA GLY 7 3HA GLY 7 9.348 -3.475 -6.160 46 H ARG 8 H ARG 8 6.401 -4.007 -4.416 47 HA ARG 8 HA ARG 8 6.643 -1.338 -3.036 48 1HB ARG 8 2HB ARG 8 4.532 -2.351 -4.982 49 2HB ARG 8 3HB ARG 8 4.277 -0.970 -3.912 50 1HG ARG 8 2HG ARG 8 6.174 0.215 -4.841 51 2HG ARG 8 3HG ARG 8 6.552 -1.133 -5.923 52 1HD ARG 8 2HD ARG 8 3.817 0.168 -5.973 53 2HD ARG 8 3HD ARG 8 5.203 0.903 -6.777 54 HE ARG 8 HE ARG 8 4.164 -1.850 -7.413 55 1HH1 ARG 8 1HH2 ARG 8 5.545 1.173 -8.673 56 2HH1 ARG 8 2HH2 ARG 8 5.429 0.523 -10.311 57 1HH2 ARG 8 1HH1 ARG 8 4.174 -2.459 -9.504 58 2HH2 ARG 8 2HH1 ARG 8 4.778 -1.329 -10.735 59 H CYS 9 H CYS 9 4.981 -4.474 -2.909 60 HA CYS 9 HA CYS 9 3.139 -4.053 -0.991 61 1HB CYS 9 2HB CYS 9 4.959 -6.434 -0.687 62 2HB CYS 9 3HB CYS 9 3.231 -6.303 -0.369 63 H THR 10 H THR 10 2.887 -3.515 1.037 64 HA THR 10 HA THR 10 3.182 -2.814 3.128 65 HB THR 10 HB THR 10 5.666 -4.475 3.521 66 HG1 THR 10 1HG THR 10 4.364 -6.251 3.768 67 1HG2 THR 10 1HG2 THR 10 3.190 -3.902 5.229 68 2HG2 THR 10 2HG2 THR 10 4.518 -4.990 5.690 69 3HG2 THR 10 3HG2 THR 10 4.819 -3.264 5.514 70 H GLU 11 H GLU 11 4.525 -1.282 0.963 71 HA GLU 11 HA GLU 11 6.905 -0.080 1.964 72 1HB GLU 11 2HB GLU 11 6.435 1.722 0.388 73 2HB GLU 11 3HB GLU 11 6.314 0.138 -0.353 74 1HG GLU 11 2HG GLU 11 3.828 0.275 -0.283 75 2HG GLU 11 3HG GLU 11 3.925 1.815 0.560 76 H GLY 12 H GLY 12 3.680 0.448 3.078 77 1HA GLY 12 2HA GLY 12 2.880 1.850 4.791 78 2HA GLY 12 3HA GLY 12 4.425 2.712 4.841 79 H PHE 13 H PHE 13 1.666 3.832 4.714 80 HA PHE 13 HA PHE 13 0.980 4.496 2.070 81 1HB PHE 13 2HB PHE 13 -0.390 4.554 4.255 82 2HB PHE 13 3HB PHE 13 0.174 6.212 4.429 83 HD1 PHE 13 1HD PHE 13 -2.003 3.882 2.604 84 HD2 PHE 13 2HD PHE 13 -0.555 7.957 2.677 85 HE1 PHE 13 1HE PHE 13 -3.888 4.600 1.156 86 HE2 PHE 13 2HE PHE 13 -2.434 8.609 1.192 87 HZ PHE 13 HZ PHE 13 -4.083 6.959 0.435 88 H ASN 14 H ASN 14 1.293 6.152 0.738 89 HA ASN 14 HA ASN 14 2.478 8.705 1.578 90 1HB ASN 14 2HB ASN 14 4.494 7.408 1.096 91 2HB ASN 14 3HB ASN 14 3.844 6.896 -0.466 92 1HD2 ASN 14 1HD2 ASN 14 6.314 8.071 -0.416 93 2HD2 ASN 14 2HD2 ASN 14 6.197 9.697 -1.089 94 H VAL 15 H VAL 15 0.757 9.817 0.980 95 HA VAL 15 HA VAL 15 -1.266 9.109 -0.712 96 HB VAL 15 HB VAL 15 -0.677 12.032 -0.386 97 1HG1 VAL 15 1HG1 VAL 15 -2.845 11.292 -1.395 98 2HG1 VAL 15 2HG1 VAL 15 -3.217 10.403 0.099 99 3HG1 VAL 15 3HG1 VAL 15 -3.078 12.166 0.121 100 1HG2 VAL 15 1HG2 VAL 15 -1.476 10.297 1.982 101 2HG2 VAL 15 2HG2 VAL 15 -0.001 11.277 1.815 102 3HG2 VAL 15 3HG2 VAL 15 -1.572 12.056 1.910 103 H ASP 16 H ASP 16 1.725 10.523 -1.838 104 HA ASP 16 HA ASP 16 0.723 11.421 -4.422 105 1HB ASP 16 2HB ASP 16 2.677 12.380 -3.190 106 2HB ASP 16 3HB ASP 16 3.553 10.871 -3.484 107 H LYS 17 H LYS 17 1.743 8.284 -3.229 108 HA LYS 17 HA LYS 17 2.813 7.223 -5.698 109 1HB LYS 17 2HB LYS 17 1.725 5.854 -3.199 110 2HB LYS 17 3HB LYS 17 2.523 4.996 -4.520 111 1HG LYS 17 2HG LYS 17 3.829 7.142 -2.801 112 2HG LYS 17 3HG LYS 17 3.978 5.389 -2.583 113 1HD LYS 17 2HD LYS 17 4.913 5.313 -4.993 114 2HD LYS 17 3HD LYS 17 4.986 7.084 -4.896 115 1HE LYS 17 2HE LYS 17 7.138 6.434 -4.269 116 2HE LYS 17 3HE LYS 17 6.333 6.764 -2.725 117 1HZ LYS 17 1HZ LYS 17 7.552 4.677 -2.628 118 2HZ LYS 17 2HZ LYS 17 5.966 4.299 -2.534 119 3HZ LYS 17 3HZ LYS 17 6.777 4.078 -3.930 120 H LYS 18 H LYS 18 2.021 5.706 -7.108 121 HA LYS 18 HA LYS 18 -0.688 6.082 -8.045 122 1HB LYS 18 2HB LYS 18 1.649 4.353 -8.886 123 2HB LYS 18 3HB LYS 18 0.042 4.037 -9.546 124 1HG LYS 18 2HG LYS 18 1.173 5.438 -11.092 125 2HG LYS 18 3HG LYS 18 -0.096 6.406 -10.319 126 1HD LYS 18 2HD LYS 18 1.623 7.426 -8.829 127 2HD LYS 18 3HD LYS 18 2.881 6.462 -9.635 128 1HE LYS 18 2HE LYS 18 2.284 7.536 -11.803 129 2HE LYS 18 3HE LYS 18 1.050 8.501 -10.983 130 1HZ LYS 18 1HZ LYS 18 3.108 9.755 -11.240 131 2HZ LYS 18 2HZ LYS 18 2.829 9.516 -9.651 132 3HZ LYS 18 3HZ LYS 18 3.969 8.634 -10.427 133 H CYS 19 H CYS 19 0.818 3.475 -6.197 134 HA CYS 19 HA CYS 19 -1.922 2.396 -5.614 135 1HB CYS 19 2HB CYS 19 -1.090 0.284 -5.169 136 2HB CYS 19 3HB CYS 19 -0.305 0.700 -6.691 137 H GLN 20 H GLN 20 -2.105 1.609 -3.413 138 HA GLN 20 HA GLN 20 -0.175 2.744 -1.432 139 1HB GLN 20 2HB GLN 20 -3.190 2.639 -1.126 140 2HB GLN 20 3HB GLN 20 -2.029 3.158 0.096 141 1HG GLN 20 2HG GLN 20 -2.493 4.499 -2.610 142 2HG GLN 20 3HG GLN 20 -3.132 5.079 -1.101 143 1HE2 GLN 20 2HE2 GLN 20 -1.310 6.448 -3.064 144 2HE2 GLN 20 1HE2 GLN 20 0.076 6.881 -2.061 145 H CYS 21 H CYS 21 0.770 0.760 -2.067 146 HA CYS 21 HA CYS 21 -0.534 -1.783 -1.762 147 1HB CYS 21 2HB CYS 21 2.347 -0.907 -2.240 148 2HB CYS 21 3HB CYS 21 1.801 -2.577 -2.273 149 H ASP 22 H ASP 22 -0.790 -0.457 0.724 150 HA ASP 22 HA ASP 22 0.888 -2.056 2.591 151 1HB ASP 22 2HB ASP 22 1.682 -0.140 3.719 152 2HB ASP 22 3HB ASP 22 1.943 0.202 2.006 153 H GLU 23 H GLU 23 0.345 -1.329 4.926 154 HA GLU 23 HA GLU 23 -2.096 -2.513 5.585 155 1HB GLU 23 2HB GLU 23 -0.405 -0.676 7.329 156 2HB GLU 23 3HB GLU 23 -1.529 -1.921 7.879 157 1HG GLU 23 2HG GLU 23 -0.084 -3.652 6.793 158 2HG GLU 23 3HG GLU 23 1.082 -2.388 6.363 159 H LEU 24 H LEU 24 -1.497 0.978 5.169 160 HA LEU 24 HA LEU 24 -3.974 1.700 6.658 161 1HB LEU 24 2HB LEU 24 -1.885 3.427 5.320 162 2HB LEU 24 3HB LEU 24 -3.172 3.993 6.373 163 HG LEU 24 HG LEU 24 -0.818 2.243 7.215 164 1HD1 LEU 24 1HD1 LEU 24 -0.234 4.595 6.761 165 2HD1 LEU 24 2HD1 LEU 24 -1.529 5.137 7.851 166 3HD1 LEU 24 3HD1 LEU 24 -0.138 4.230 8.490 167 1HD2 LEU 24 1HD2 LEU 24 -2.775 1.681 8.588 168 2HD2 LEU 24 2HD2 LEU 24 -1.637 2.647 9.530 169 3HD2 LEU 24 3HD2 LEU 24 -3.103 3.407 8.870 170 H CYS 25 H CYS 25 -3.452 0.723 3.511 171 HA CYS 25 HA CYS 25 -4.530 2.827 2.022 172 1HB CYS 25 2HB CYS 25 -4.490 1.384 0.210 173 2HB CYS 25 3HB CYS 25 -3.210 0.827 1.293 174 H SER 26 H SER 26 -6.340 0.331 3.734 175 HA SER 26 HA SER 26 -8.868 0.777 2.439 176 1HB SER 26 2HB SER 26 -8.221 -1.257 3.738 177 2HB SER 26 3HB SER 26 -8.345 -0.307 5.232 178 HG SER 26 HG SER 26 -10.283 -1.465 4.728 179 H TYR 27 H TYR 27 -7.293 2.384 5.189 180 HA TYR 27 HA TYR 27 -9.557 3.913 6.105 181 1HB TYR 27 2HB TYR 27 -7.836 3.701 7.627 182 2HB TYR 27 3HB TYR 27 -6.579 3.969 6.451 183 HD1 TYR 27 1HD TYR 27 -5.507 6.013 6.247 184 HD2 TYR 27 2HD TYR 27 -9.298 5.798 8.294 185 HE1 TYR 27 1HE TYR 27 -5.256 8.378 6.928 186 HE2 TYR 27 2HE TYR 27 -9.034 8.177 9.007 187 HH TYR 27 HH TYR 27 -6.178 10.140 8.086 188 H TYR 28 H TYR 28 -7.466 4.308 3.319 189 HA TYR 28 HA TYR 28 -8.738 6.944 2.668 190 1HB TYR 28 2HB TYR 28 -6.262 5.532 1.623 191 2HB TYR 28 3HB TYR 28 -6.936 6.989 0.903 192 HD1 TYR 28 1HD TYR 28 -4.959 5.674 3.691 193 HD2 TYR 28 2HD TYR 28 -6.896 9.162 2.049 194 HE1 TYR 28 1HE TYR 28 -3.465 7.140 5.037 195 HE2 TYR 28 2HE TYR 28 -5.435 10.626 3.433 196 HH TYR 28 HH TYR 28 -3.707 10.718 4.934 197 H GLN 29 H GLN 29 -9.009 3.617 1.852 198 HA GLN 29 HA GLN 29 -9.784 2.403 0.144 199 1HB GLN 29 2HB GLN 29 -11.550 4.824 -0.353 200 2HB GLN 29 3HB GLN 29 -11.757 3.256 -1.119 201 1HG GLN 29 2HG GLN 29 -11.845 3.661 1.898 202 2HG GLN 29 3HG GLN 29 -13.260 3.669 0.844 203 1HE2 GLN 29 1HE2 GLN 29 -11.356 1.638 2.788 204 2HE2 GLN 29 2HE2 GLN 29 -11.910 0.110 2.107 205 H SER 30 H SER 30 -7.354 3.502 -0.312 206 HA SER 30 HA SER 30 -7.298 4.157 -3.246 207 1HB SER 30 2HB SER 30 -5.480 5.196 -1.035 208 2HB SER 30 3HB SER 30 -5.277 5.497 -2.777 209 HG SER 30 HG SER 30 -6.406 7.203 -1.819 210 H CYS 31 H CYS 31 -6.966 1.502 -1.747 211 HA CYS 31 HA CYS 31 -4.320 0.544 -1.846 212 1HB CYS 31 2HB CYS 31 -6.876 -1.000 -2.387 213 2HB CYS 31 3HB CYS 31 -5.351 -1.631 -1.757 214 H CYS 32 H CYS 32 -3.415 -1.159 -3.219 215 HA CYS 32 HA CYS 32 -3.337 -0.720 -6.045 216 1HB CYS 32 2HB CYS 32 -2.518 -3.288 -5.835 217 2HB CYS 32 3HB CYS 32 -1.484 -1.919 -5.452 218 H THR 33 H THR 33 -4.164 -2.036 -7.769 219 HA THR 33 HA THR 33 -6.959 -2.338 -7.653 220 HB THR 33 HB THR 33 -6.666 -3.396 -9.952 221 HG1 THR 33 1HG THR 33 -4.600 -3.368 -10.783 222 1HG2 THR 33 1HG2 THR 33 -6.953 -0.951 -9.629 223 2HG2 THR 33 2HG2 THR 33 -5.194 -0.771 -9.445 224 3HG2 THR 33 3HG2 THR 33 -5.881 -1.320 -10.990 225 H ASP 34 H ASP 34 -4.606 -4.763 -6.904 226 HA ASP 34 HA ASP 34 -6.795 -6.735 -6.417 227 1HB ASP 34 2HB ASP 34 -4.133 -7.243 -7.790 228 2HB ASP 34 3HB ASP 34 -5.138 -8.530 -7.106 229 H TYR 35 H TYR 35 -5.514 -4.803 -4.634 230 HA TYR 35 HA TYR 35 -3.532 -5.482 -2.983 231 1HB TYR 35 2HB TYR 35 -4.818 -3.509 -2.622 232 2HB TYR 35 3HB TYR 35 -6.275 -4.429 -2.254 233 HD1 TYR 35 1HD TYR 35 -2.947 -3.374 -0.902 234 HD2 TYR 35 2HD TYR 35 -6.727 -5.260 -0.053 235 HE1 TYR 35 1HE TYR 35 -2.391 -3.400 1.515 236 HE2 TYR 35 2HE TYR 35 -6.185 -5.254 2.369 237 HH TYR 35 HH TYR 35 -4.659 -4.692 3.973 238 H THR 36 H THR 36 -6.768 -6.983 -2.426 239 HA THR 36 HA THR 36 -5.913 -8.441 -0.134 240 HB THR 36 HB THR 36 -8.043 -9.797 -0.582 241 HG1 THR 36 1HG THR 36 -9.436 -8.833 -2.077 242 1HG2 THR 36 1HG2 THR 36 -9.433 -8.018 0.249 243 2HG2 THR 36 2HG2 THR 36 -7.814 -7.792 0.939 244 3HG2 THR 36 3HG2 THR 36 -8.352 -6.774 -0.416 245 H ALA 37 H ALA 37 -5.236 -9.137 -3.389 246 HA ALA 37 HA ALA 37 -4.445 -11.939 -2.698 247 1HB ALA 37 1HB ALA 37 -4.826 -12.469 -5.064 248 2HB ALA 37 2HB ALA 37 -6.299 -11.819 -4.319 249 3HB ALA 37 3HB ALA 37 -5.310 -10.789 -5.382 250 H GLU 38 H GLU 38 -3.255 -8.836 -3.793 251 HA GLU 38 HA GLU 38 -0.619 -10.082 -4.517 252 1HB GLU 38 2HB GLU 38 -1.874 -7.474 -5.445 253 2HB GLU 38 3HB GLU 38 -0.219 -8.016 -5.788 254 1HG GLU 38 2HG GLU 38 -1.226 -10.111 -6.819 255 2HG GLU 38 3HG GLU 38 -2.794 -9.309 -6.731 256 H CYS 39 H CYS 39 -1.992 -7.552 -2.342 257 HA CYS 39 HA CYS 39 0.826 -6.790 -1.690 258 1HB CYS 39 2HB CYS 39 -1.401 -4.885 -1.273 259 2HB CYS 39 3HB CYS 39 0.273 -4.559 -1.629 260 H LYS 40 H LYS 40 -2.271 -7.691 -0.449 261 HA LYS 40 HA LYS 40 -2.635 -6.854 2.024 262 1HB LYS 40 2HB LYS 40 -3.935 -8.508 0.741 263 2HB LYS 40 3HB LYS 40 -2.831 -9.770 1.274 264 1HG LYS 40 2HG LYS 40 -3.468 -9.254 3.654 265 2HG LYS 40 3HG LYS 40 -4.516 -7.950 3.069 266 1HD LYS 40 2HD LYS 40 -5.893 -9.882 3.556 267 2HD LYS 40 3HD LYS 40 -5.883 -9.585 1.819 268 1HE LYS 40 2HE LYS 40 -3.932 -11.367 1.782 269 2HE LYS 40 3HE LYS 40 -4.513 -11.789 3.395 270 1HZ LYS 40 1HZ LYS 40 -5.604 -13.150 1.722 271 2HZ LYS 40 2HZ LYS 40 -6.739 -12.146 2.334 272 3HZ LYS 40 3HZ LYS 40 -6.068 -11.847 0.859 273 HA PRO 41 HA PRO 41 1.381 -7.787 3.852 274 1HB PRO 41 2HB PRO 41 0.224 -6.002 6.020 275 2HB PRO 41 3HB PRO 41 1.872 -5.961 5.318 276 1HG PRO 41 2HG PRO 41 0.013 -4.164 4.507 277 2HG PRO 41 3HG PRO 41 1.053 -4.975 3.291 278 1HD PRO 41 2HD PRO 41 -1.803 -5.673 4.063 279 2HD PRO 41 3HD PRO 41 -1.077 -5.499 2.462 280 H GLN 42 H GLN 42 -0.941 -9.479 4.499 281 HA GLN 42 HA GLN 42 0.204 -11.146 6.501 282 1HB GLN 42 2HB GLN 42 -0.706 -9.547 8.105 283 2HB GLN 42 3HB GLN 42 -2.310 -9.619 7.349 284 1HG GLN 42 2HG GLN 42 -2.691 -11.841 8.144 285 2HG GLN 42 3HG GLN 42 -0.983 -12.095 8.499 286 1HE2 GLN 42 2HE2 GLN 42 -0.243 -11.619 10.554 287 2HE2 GLN 42 1HE2 GLN 42 -1.231 -10.806 11.784 288 H VAL 43 H VAL 43 -0.456 -13.222 6.099 289 HA VAL 43 HA VAL 43 -3.102 -13.718 4.842 290 HB VAL 43 HB VAL 43 -0.704 -15.170 3.718 291 1HG1 VAL 43 1HG1 VAL 43 -2.191 -15.464 1.800 292 2HG1 VAL 43 2HG1 VAL 43 -3.100 -15.912 3.249 293 3HG1 VAL 43 3HG1 VAL 43 -3.383 -14.343 2.493 294 1HG2 VAL 43 1HG2 VAL 43 -0.662 -13.613 1.794 295 2HG2 VAL 43 2HG2 VAL 43 -1.756 -12.511 2.653 296 3HG2 VAL 43 3HG2 VAL 43 -0.119 -12.830 3.275 297 H THR 44 H THR 44 -2.520 -14.045 7.488 298 HA THR 44 HA THR 44 -1.884 -16.671 8.355 299 HB THR 44 HB THR 44 -3.943 -14.843 9.647 300 HG1 THR 44 1HG THR 44 -2.222 -13.871 10.676 301 1HG2 THR 44 1HG2 THR 44 -1.905 -16.816 10.788 302 2HG2 THR 44 2HG2 THR 44 -2.985 -15.776 11.744 303 3HG2 THR 44 3HG2 THR 44 -3.670 -17.049 10.732 304 H ARG 45 H ARG 45 -2.950 -18.546 8.190 305 HA ARG 45 HA ARG 45 -5.902 -18.656 7.609 306 1HB ARG 45 2HB ARG 45 -3.579 -19.913 6.115 307 2HB ARG 45 3HB ARG 45 -5.195 -20.592 6.001 308 1HG ARG 45 2HG ARG 45 -6.121 -18.706 4.970 309 2HG ARG 45 3HG ARG 45 -4.761 -17.652 5.390 310 1HD ARG 45 2HD ARG 45 -4.447 -20.055 3.561 311 2HD ARG 45 3HD ARG 45 -4.871 -18.434 2.975 312 HE ARG 45 HE ARG 45 -2.652 -17.997 4.574 313 1HH1 ARG 45 1HH2 ARG 45 -3.181 -19.845 1.642 314 2HH1 ARG 45 2HH2 ARG 45 -1.545 -19.598 1.094 315 1HH2 ARG 45 1HH1 ARG 45 -0.632 -17.726 3.846 316 2HH2 ARG 45 2HH1 ARG 45 -0.121 -18.423 2.331 317 H GLY 46 H GLY 46 -3.837 -19.493 9.937 318 1HA GLY 46 2HA GLY 46 -4.180 -20.896 11.751 319 2HA GLY 46 3HA GLY 46 -5.501 -21.693 10.900 320 H ASP 47 H ASP 47 -2.937 -21.829 8.814 321 HA ASP 47 HA ASP 47 -1.687 -24.302 9.908 322 1HB ASP 47 2HB ASP 47 -3.715 -24.770 8.444 323 2HB ASP 47 3HB ASP 47 -2.859 -23.999 7.110 324 H VAL 48 H VAL 48 -0.850 -21.438 9.404 325 HA VAL 48 HA VAL 48 1.726 -21.814 8.083 326 HB VAL 48 HB VAL 48 0.161 -21.513 6.182 327 1HG1 VAL 48 1HG1 VAL 48 -1.534 -20.079 7.270 328 2HG1 VAL 48 2HG1 VAL 48 -0.383 -18.721 7.265 329 3HG1 VAL 48 3HG1 VAL 48 -0.958 -19.416 5.738 330 1HG2 VAL 48 1HG2 VAL 48 1.375 -19.898 4.945 331 2HG2 VAL 48 2HG2 VAL 48 1.935 -19.065 6.399 332 3HG2 VAL 48 3HG2 VAL 48 2.519 -20.709 6.022 333 H PHE 49 H PHE 49 3.069 -19.846 8.271 334 HA PHE 49 HA PHE 49 2.931 -18.558 10.795 335 1HB PHE 49 2HB PHE 49 4.981 -18.957 9.466 336 2HB PHE 49 3HB PHE 49 4.437 -17.772 8.271 337 HD1 PHE 49 1HD PHE 49 5.026 -18.048 11.999 338 HD2 PHE 49 2HD PHE 49 5.329 -15.597 8.457 339 HE1 PHE 49 1HE PHE 49 6.092 -16.245 13.332 340 HE2 PHE 49 2HE PHE 49 6.412 -13.807 9.798 341 HZ PHE 49 HZ PHE 49 6.785 -14.123 12.234 342 H THR 50 H THR 50 2.818 -16.247 11.252 343 HA THR 50 HA THR 50 0.276 -15.206 10.376 344 HB THR 50 HB THR 50 0.746 -13.458 12.142 345 HG1 THR 50 1HG THR 50 2.549 -13.800 13.427 346 1HG2 THR 50 1HG2 THR 50 0.541 -14.985 14.023 347 2HG2 THR 50 2HG2 THR 50 -0.435 -15.570 12.667 348 3HG2 THR 50 3HG2 THR 50 1.120 -16.347 13.038 349 H MET 51 H MET 51 2.799 -14.949 8.536 350 HA MET 51 HA MET 51 2.028 -12.319 7.469 351 1HB MET 51 2HB MET 51 3.939 -11.851 9.008 352 2HB MET 51 3HB MET 51 4.947 -12.949 8.051 353 1HG MET 51 2HG MET 51 4.670 -11.526 6.073 354 2HG MET 51 3HG MET 51 3.508 -10.509 6.942 355 1HE MET 51 1HE MET 51 8.090 -10.565 7.702 356 2HE MET 51 2HE MET 51 7.077 -11.949 8.155 357 3HE MET 51 3HE MET 51 7.260 -11.503 6.443 Start of MODEL 8 1 1H ASP 1 1H ASP 1 -5.148 5.866 -14.654 2 2H ASP 1 2H ASP 1 -4.841 6.157 -16.239 3 3H ASP 1 3H ASP 1 -5.752 4.860 -15.795 4 HA ASP 1 HA ASP 1 -3.601 4.068 -16.401 5 1HB ASP 1 2HB ASP 1 -2.608 6.127 -14.385 6 2HB ASP 1 3HB ASP 1 -1.608 4.839 -15.076 7 H GLN 2 H GLN 2 -2.600 2.300 -15.329 8 HA GLN 2 HA GLN 2 -3.549 1.637 -12.578 9 1HB GLN 2 2HB GLN 2 -3.777 -0.142 -15.037 10 2HB GLN 2 3HB GLN 2 -4.022 -0.676 -13.370 11 1HG GLN 2 2HG GLN 2 -5.864 0.997 -13.124 12 2HG GLN 2 3HG GLN 2 -5.715 1.392 -14.838 13 1HE2 GLN 2 2HE2 GLN 2 -8.036 0.200 -13.344 14 2HE2 GLN 2 1HE2 GLN 2 -8.359 -1.310 -14.198 15 H GLU 3 H GLU 3 -2.406 -0.307 -11.724 16 HA GLU 3 HA GLU 3 0.446 -0.542 -12.513 17 1HB GLU 3 2HB GLU 3 1.315 0.369 -10.602 18 2HB GLU 3 3HB GLU 3 0.140 1.542 -11.181 19 1HG GLU 3 2HG GLU 3 -0.134 -0.363 -8.821 20 2HG GLU 3 3HG GLU 3 0.107 1.374 -8.812 21 H SER 4 H SER 4 1.617 -1.834 -10.668 22 HA SER 4 HA SER 4 -0.072 -3.965 -9.478 23 1HB SER 4 2HB SER 4 0.650 -4.896 -11.627 24 2HB SER 4 3HB SER 4 2.345 -4.494 -11.257 25 HG SER 4 HG SER 4 1.683 -6.714 -10.793 26 H CYS 5 H CYS 5 0.744 -4.856 -7.626 27 HA CYS 5 HA CYS 5 2.629 -3.267 -6.123 28 1HB CYS 5 2HB CYS 5 0.515 -4.324 -5.388 29 2HB CYS 5 3HB CYS 5 1.291 -5.915 -5.428 30 H LYS 6 H LYS 6 3.331 -5.729 -8.323 31 HA LYS 6 HA LYS 6 5.073 -7.398 -6.781 32 1HB LYS 6 2HB LYS 6 3.804 -7.917 -8.961 33 2HB LYS 6 3HB LYS 6 5.077 -7.049 -9.807 34 1HG LYS 6 2HG LYS 6 5.538 -9.400 -9.918 35 2HG LYS 6 3HG LYS 6 6.758 -8.646 -8.890 36 1HD LYS 6 2HD LYS 6 6.119 -10.786 -8.008 37 2HD LYS 6 3HD LYS 6 5.630 -9.558 -6.863 38 1HE LYS 6 2HE LYS 6 3.677 -10.664 -8.928 39 2HE LYS 6 3HE LYS 6 4.056 -11.586 -7.477 40 1HZ LYS 6 1HZ LYS 6 2.901 -8.856 -7.446 41 2HZ LYS 6 2HZ LYS 6 2.078 -10.228 -7.153 42 3HZ LYS 6 3HZ LYS 6 3.252 -9.761 -6.120 43 H GLY 7 H GLY 7 6.332 -5.950 -5.670 44 1HA GLY 7 2HA GLY 7 8.900 -5.515 -5.790 45 2HA GLY 7 3HA GLY 7 8.445 -4.380 -7.073 46 H ARG 8 H ARG 8 5.931 -4.232 -4.874 47 HA ARG 8 HA ARG 8 7.125 -1.886 -3.414 48 1HB ARG 8 2HB ARG 8 4.381 -2.076 -4.729 49 2HB ARG 8 3HB ARG 8 5.028 -0.713 -3.827 50 1HG ARG 8 2HG ARG 8 6.961 -0.738 -5.618 51 2HG ARG 8 3HG ARG 8 5.828 -1.727 -6.556 52 1HD ARG 8 2HD ARG 8 5.440 0.491 -7.257 53 2HD ARG 8 3HD ARG 8 4.094 0.130 -6.165 54 HE ARG 8 HE ARG 8 5.288 1.382 -4.371 55 1HH1 ARG 8 1HH2 ARG 8 6.210 2.233 -7.655 56 2HH1 ARG 8 2HH2 ARG 8 7.093 3.635 -7.114 57 1HH2 ARG 8 2HH1 ARG 8 6.623 2.957 -3.770 58 2HH2 ARG 8 1HH1 ARG 8 7.261 4.084 -4.954 59 H CYS 9 H CYS 9 4.721 -4.499 -3.101 60 HA CYS 9 HA CYS 9 3.118 -3.700 -1.191 61 1HB CYS 9 2HB CYS 9 4.411 -6.430 -1.016 62 2HB CYS 9 3HB CYS 9 2.746 -5.969 -0.625 63 H THR 10 H THR 10 2.956 -3.028 0.769 64 HA THR 10 HA THR 10 3.392 -2.232 2.784 65 HB THR 10 HB THR 10 5.175 -4.567 3.492 66 HG1 THR 10 1HG THR 10 3.449 -5.443 2.351 67 1HG2 THR 10 1HG2 THR 10 3.868 -4.480 5.591 68 2HG2 THR 10 2HG2 THR 10 4.602 -2.901 5.283 69 3HG2 THR 10 3HG2 THR 10 2.880 -3.158 4.936 70 H GLU 11 H GLU 11 5.121 -1.255 0.733 71 HA GLU 11 HA GLU 11 7.783 -0.738 1.692 72 1HB GLU 11 2HB GLU 11 7.702 1.181 0.131 73 2HB GLU 11 3HB GLU 11 7.302 -0.351 -0.611 74 1HG GLU 11 2HG GLU 11 4.845 0.244 -0.502 75 2HG GLU 11 3HG GLU 11 5.301 1.795 0.232 76 H GLY 12 H GLY 12 4.709 0.560 2.650 77 1HA GLY 12 2HA GLY 12 4.563 1.749 4.818 78 2HA GLY 12 3HA GLY 12 5.937 2.747 4.316 79 H PHE 13 H PHE 13 2.994 3.311 4.911 80 HA PHE 13 HA PHE 13 1.689 3.947 2.424 81 1HB PHE 13 2HB PHE 13 0.148 3.647 4.078 82 2HB PHE 13 3HB PHE 13 1.153 4.386 5.336 83 HD1 PHE 13 1HD PHE 13 1.103 6.800 5.741 84 HD2 PHE 13 2HD PHE 13 -1.295 5.037 2.611 85 HE1 PHE 13 1HE PHE 13 -0.204 8.896 5.557 86 HE2 PHE 13 2HE PHE 13 -2.615 7.102 2.465 87 HZ PHE 13 HZ PHE 13 -2.060 9.058 3.917 88 H ASN 14 H ASN 14 1.447 5.731 1.311 89 HA ASN 14 HA ASN 14 2.046 8.381 2.196 90 1HB ASN 14 2HB ASN 14 4.375 7.803 1.678 91 2HB ASN 14 3HB ASN 14 3.904 7.160 0.102 92 1HD2 ASN 14 2HD2 ASN 14 5.710 8.777 -0.456 93 2HD2 ASN 14 1HD2 ASN 14 5.162 10.416 -0.805 94 H VAL 15 H VAL 15 0.049 8.980 1.576 95 HA VAL 15 HA VAL 15 -1.479 7.824 -0.429 96 HB VAL 15 HB VAL 15 -2.204 9.098 1.570 97 1HG1 VAL 15 1HG1 VAL 15 -2.711 11.411 1.462 98 2HG1 VAL 15 2HG1 VAL 15 -0.975 11.156 1.241 99 3HG1 VAL 15 3HG1 VAL 15 -2.002 11.548 -0.168 100 1HG2 VAL 15 1HG2 VAL 15 -4.344 9.695 0.676 101 2HG2 VAL 15 2HG2 VAL 15 -3.708 9.662 -0.981 102 3HG2 VAL 15 3HG2 VAL 15 -3.763 8.169 -0.003 103 H ASP 16 H ASP 16 0.968 10.165 -0.994 104 HA ASP 16 HA ASP 16 0.052 11.200 -3.530 105 1HB ASP 16 2HB ASP 16 1.794 12.217 -2.059 106 2HB ASP 16 3HB ASP 16 2.861 10.855 -2.441 107 H LYS 17 H LYS 17 1.481 8.103 -2.640 108 HA LYS 17 HA LYS 17 2.679 7.459 -5.194 109 1HB LYS 17 2HB LYS 17 1.715 5.644 -2.940 110 2HB LYS 17 3HB LYS 17 2.676 5.109 -4.331 111 1HG LYS 17 2HG LYS 17 4.487 6.683 -3.674 112 2HG LYS 17 3HG LYS 17 3.569 7.119 -2.227 113 1HD LYS 17 2HD LYS 17 4.718 4.381 -2.922 114 2HD LYS 17 3HD LYS 17 5.294 5.507 -1.693 115 1HE LYS 17 2HE LYS 17 4.149 4.182 -0.293 116 2HE LYS 17 3HE LYS 17 2.787 5.219 -0.750 117 1HZ LYS 17 1HZ LYS 17 2.408 2.750 -0.837 118 2HZ LYS 17 2HZ LYS 17 2.053 3.478 -2.276 119 3HZ LYS 17 3HZ LYS 17 3.459 2.638 -2.078 120 H LYS 18 H LYS 18 2.018 6.104 -6.832 121 HA LYS 18 HA LYS 18 -0.642 6.329 -7.709 122 1HB LYS 18 2HB LYS 18 1.282 6.040 -9.200 123 2HB LYS 18 3HB LYS 18 1.512 4.385 -8.620 124 1HG LYS 18 2HG LYS 18 0.436 4.411 -10.815 125 2HG LYS 18 3HG LYS 18 -0.661 3.739 -9.604 126 1HD LYS 18 2HD LYS 18 -1.764 6.038 -9.449 127 2HD LYS 18 3HD LYS 18 -0.695 6.565 -10.752 128 1HE LYS 18 2HE LYS 18 -2.728 6.036 -11.809 129 2HE LYS 18 3HE LYS 18 -1.652 4.684 -12.177 130 1HZ LYS 18 1HZ LYS 18 -3.890 3.978 -11.493 131 2HZ LYS 18 2HZ LYS 18 -2.776 3.387 -10.445 132 3HZ LYS 18 3HZ LYS 18 -3.702 4.670 -10.018 133 H CYS 19 H CYS 19 0.767 3.761 -5.793 134 HA CYS 19 HA CYS 19 -1.993 2.676 -5.393 135 1HB CYS 19 2HB CYS 19 -1.195 0.482 -5.078 136 2HB CYS 19 3HB CYS 19 -0.623 1.004 -6.657 137 H GLN 20 H GLN 20 -2.598 2.375 -3.363 138 HA GLN 20 HA GLN 20 -0.612 2.825 -1.169 139 1HB GLN 20 2HB GLN 20 -3.637 2.677 -1.062 140 2HB GLN 20 3HB GLN 20 -2.545 2.983 0.303 141 1HG GLN 20 2HG GLN 20 -3.053 4.771 -2.108 142 2HG GLN 20 3HG GLN 20 -3.389 5.127 -0.410 143 1HE2 GLN 20 2HE2 GLN 20 -1.261 5.988 -2.876 144 2HE2 GLN 20 1HE2 GLN 20 0.082 6.380 -1.797 145 H CYS 21 H CYS 21 0.316 0.972 -2.228 146 HA CYS 21 HA CYS 21 -0.601 -1.739 -1.829 147 1HB CYS 21 2HB CYS 21 2.072 -0.330 -2.335 148 2HB CYS 21 3HB CYS 21 1.910 -2.068 -2.243 149 H ASP 22 H ASP 22 -0.979 -0.171 0.621 150 HA ASP 22 HA ASP 22 1.008 -1.312 2.533 151 1HB ASP 22 2HB ASP 22 0.204 1.609 2.304 152 2HB ASP 22 3HB ASP 22 1.329 0.933 3.493 153 H GLU 23 H GLU 23 0.530 -0.586 4.780 154 HA GLU 23 HA GLU 23 -1.708 -1.993 5.678 155 1HB GLU 23 2HB GLU 23 0.024 -0.080 7.290 156 2HB GLU 23 3HB GLU 23 -0.870 -1.485 7.885 157 1HG GLU 23 2HG GLU 23 0.571 -2.930 6.386 158 2HG GLU 23 3HG GLU 23 1.559 -1.507 6.035 159 H LEU 24 H LEU 24 -1.847 1.254 4.734 160 HA LEU 24 HA LEU 24 -4.231 1.846 6.477 161 1HB LEU 24 2HB LEU 24 -2.140 3.738 5.345 162 2HB LEU 24 3HB LEU 24 -3.570 4.229 6.243 163 HG LEU 24 HG LEU 24 -1.280 2.559 7.369 164 1HD1 LEU 24 1HD1 LEU 24 -2.112 5.447 7.870 165 2HD1 LEU 24 2HD1 LEU 24 -0.794 4.576 8.688 166 3HD1 LEU 24 3HD1 LEU 24 -0.688 4.914 6.956 167 1HD2 LEU 24 1HD2 LEU 24 -3.372 1.985 8.527 168 2HD2 LEU 24 2HD2 LEU 24 -2.366 2.992 9.569 169 3HD2 LEU 24 3HD2 LEU 24 -3.759 3.710 8.728 170 H CYS 25 H CYS 25 -3.651 0.877 3.404 171 HA CYS 25 HA CYS 25 -4.618 2.883 1.756 172 1HB CYS 25 2HB CYS 25 -4.658 1.290 0.094 173 2HB CYS 25 3HB CYS 25 -3.493 0.661 1.264 174 H SER 26 H SER 26 -6.658 0.527 3.474 175 HA SER 26 HA SER 26 -9.048 0.925 1.994 176 1HB SER 26 2HB SER 26 -8.579 -0.976 3.525 177 2HB SER 26 3HB SER 26 -8.756 0.113 4.915 178 HG SER 26 HG SER 26 -10.695 -1.056 4.393 179 H TYR 27 H TYR 27 -7.835 2.589 4.882 180 HA TYR 27 HA TYR 27 -10.056 4.310 5.389 181 1HB TYR 27 2HB TYR 27 -8.556 3.868 7.093 182 2HB TYR 27 3HB TYR 27 -7.142 4.180 6.110 183 HD1 TYR 27 1HD TYR 27 -5.933 6.088 6.452 184 HD2 TYR 27 2HD TYR 27 -10.111 6.050 7.522 185 HE1 TYR 27 1HE TYR 27 -5.700 8.369 7.400 186 HE2 TYR 27 2HE TYR 27 -9.881 8.339 8.480 187 HH TYR 27 HH TYR 27 -8.479 10.104 8.888 188 H TYR 28 H TYR 28 -7.818 4.416 2.771 189 HA TYR 28 HA TYR 28 -8.720 7.182 2.045 190 1HB TYR 28 2HB TYR 28 -6.194 5.645 1.349 191 2HB TYR 28 3HB TYR 28 -6.687 7.129 0.532 192 HD1 TYR 28 1HD TYR 28 -5.121 5.770 3.525 193 HD2 TYR 28 2HD TYR 28 -6.939 9.273 1.779 194 HE1 TYR 28 1HE TYR 28 -4.037 7.200 5.247 195 HE2 TYR 28 2HE TYR 28 -5.857 10.699 3.502 196 HH TYR 28 HH TYR 28 -4.496 10.760 5.345 197 H GLN 29 H GLN 29 -9.543 4.044 1.373 198 HA GLN 29 HA GLN 29 -10.222 2.826 -0.415 199 1HB GLN 29 2HB GLN 29 -11.432 5.438 -1.385 200 2HB GLN 29 3HB GLN 29 -11.998 3.811 -1.738 201 1HG GLN 29 2HG GLN 29 -12.089 5.229 0.955 202 2HG GLN 29 3HG GLN 29 -13.449 4.911 -0.119 203 1HE2 GLN 29 2HE2 GLN 29 -13.258 4.112 2.664 204 2HE2 GLN 29 1HE2 GLN 29 -13.183 2.355 2.705 205 H SER 30 H SER 30 -7.573 3.710 -0.739 206 HA SER 30 HA SER 30 -7.275 4.208 -3.692 207 1HB SER 30 2HB SER 30 -5.735 5.334 -1.326 208 2HB SER 30 3HB SER 30 -5.211 5.505 -3.012 209 HG SER 30 HG SER 30 -7.656 6.446 -1.892 210 H CYS 31 H CYS 31 -7.135 1.626 -2.031 211 HA CYS 31 HA CYS 31 -4.492 0.597 -2.002 212 1HB CYS 31 2HB CYS 31 -7.037 -0.937 -2.585 213 2HB CYS 31 3HB CYS 31 -5.551 -1.538 -1.842 214 H CYS 32 H CYS 32 -3.551 -1.064 -3.358 215 HA CYS 32 HA CYS 32 -3.481 -0.659 -6.200 216 1HB CYS 32 2HB CYS 32 -2.409 -3.025 -6.076 217 2HB CYS 32 3HB CYS 32 -1.577 -1.697 -5.264 218 H THR 33 H THR 33 -4.096 -2.268 -7.837 219 HA THR 33 HA THR 33 -6.840 -2.583 -8.004 220 HB THR 33 HB THR 33 -6.394 -4.057 -9.971 221 HG1 THR 33 1HG THR 33 -4.201 -4.383 -10.498 222 1HG2 THR 33 1HG2 THR 33 -5.225 -2.408 -11.310 223 2HG2 THR 33 2HG2 THR 33 -6.295 -1.570 -10.175 224 3HG2 THR 33 3HG2 THR 33 -4.546 -1.634 -9.863 225 H ASP 34 H ASP 34 -4.695 -4.974 -6.581 226 HA ASP 34 HA ASP 34 -7.035 -6.696 -5.981 227 1HB ASP 34 2HB ASP 34 -5.880 -7.412 -8.140 228 2HB ASP 34 3HB ASP 34 -4.465 -7.820 -7.159 229 H TYR 35 H TYR 35 -5.814 -4.963 -4.247 230 HA TYR 35 HA TYR 35 -3.652 -5.504 -2.768 231 1HB TYR 35 2HB TYR 35 -5.129 -3.601 -2.403 232 2HB TYR 35 3HB TYR 35 -6.370 -4.651 -1.720 233 HD1 TYR 35 1HD TYR 35 -3.182 -2.905 -1.096 234 HD2 TYR 35 2HD TYR 35 -6.142 -5.569 0.571 235 HE1 TYR 35 1HE TYR 35 -2.352 -2.400 1.166 236 HE2 TYR 35 2HE TYR 35 -5.301 -5.045 2.859 237 HH TYR 35 HH TYR 35 -2.811 -2.527 3.373 238 H THR 36 H THR 36 -6.764 -7.084 -1.844 239 HA THR 36 HA THR 36 -5.665 -8.438 0.348 240 HB THR 36 HB THR 36 -8.036 -9.617 -1.080 241 HG1 THR 36 1HG THR 36 -9.310 -7.928 -0.339 242 1HG2 THR 36 1HG2 THR 36 -7.479 -8.798 1.816 243 2HG2 THR 36 2HG2 THR 36 -8.961 -9.594 1.235 244 3HG2 THR 36 3HG2 THR 36 -7.421 -10.455 1.179 245 H ALA 37 H ALA 37 -5.200 -9.305 -2.950 246 HA ALA 37 HA ALA 37 -4.279 -12.041 -2.133 247 1HB ALA 37 1HB ALA 37 -6.281 -12.103 -3.560 248 2HB ALA 37 2HB ALA 37 -5.426 -11.155 -4.799 249 3HB ALA 37 3HB ALA 37 -4.864 -12.786 -4.381 250 H GLU 38 H GLU 38 -3.347 -9.058 -3.765 251 HA GLU 38 HA GLU 38 -0.695 -10.285 -4.468 252 1HB GLU 38 2HB GLU 38 -2.318 -8.057 -5.738 253 2HB GLU 38 3HB GLU 38 -0.622 -8.345 -6.129 254 1HG GLU 38 2HG GLU 38 -2.872 -10.362 -6.495 255 2HG GLU 38 3HG GLU 38 -2.148 -9.379 -7.766 256 H CYS 39 H CYS 39 -2.084 -7.745 -2.476 257 HA CYS 39 HA CYS 39 0.665 -6.656 -2.069 258 1HB CYS 39 2HB CYS 39 -1.749 -5.024 -1.516 259 2HB CYS 39 3HB CYS 39 -0.140 -4.494 -1.910 260 H LYS 40 H LYS 40 -1.933 -8.183 -0.502 261 HA LYS 40 HA LYS 40 -2.388 -7.140 1.845 262 1HB LYS 40 2HB LYS 40 -3.299 -9.231 0.890 263 2HB LYS 40 3HB LYS 40 -1.908 -10.110 1.542 264 1HG LYS 40 2HG LYS 40 -2.530 -9.366 3.835 265 2HG LYS 40 3HG LYS 40 -3.891 -8.436 3.164 266 1HD LYS 40 2HD LYS 40 -4.904 -10.532 2.316 267 2HD LYS 40 3HD LYS 40 -3.534 -11.459 2.969 268 1HE LYS 40 2HE LYS 40 -4.070 -10.569 5.235 269 2HE LYS 40 3HE LYS 40 -5.481 -9.737 4.572 270 1HZ LYS 40 1HZ LYS 40 -5.084 -12.687 4.552 271 2HZ LYS 40 2HZ LYS 40 -6.117 -11.879 5.525 272 3HZ LYS 40 3HZ LYS 40 -6.376 -11.917 3.915 273 HA PRO 41 HA PRO 41 1.566 -6.840 4.123 274 1HB PRO 41 2HB PRO 41 -0.430 -5.622 6.028 275 2HB PRO 41 3HB PRO 41 1.221 -5.065 5.605 276 1HG PRO 41 2HG PRO 41 -0.947 -3.856 4.544 277 2HG PRO 41 3HG PRO 41 0.467 -4.219 3.498 278 1HD PRO 41 2HD PRO 41 -2.117 -5.786 3.771 279 2HD PRO 41 3HD PRO 41 -1.231 -5.319 2.299 280 H GLN 42 H GLN 42 1.909 -7.120 6.633 281 HA GLN 42 HA GLN 42 1.906 -9.728 7.368 282 1HB GLN 42 2HB GLN 42 2.299 -8.977 9.663 283 2HB GLN 42 3HB GLN 42 3.214 -8.049 8.466 284 1HG GLN 42 2HG GLN 42 1.524 -6.199 8.648 285 2HG GLN 42 3HG GLN 42 0.695 -7.100 9.917 286 1HE2 GLN 42 2HE2 GLN 42 2.323 -4.425 9.819 287 2HE2 GLN 42 1HE2 GLN 42 3.423 -4.638 11.192 288 H VAL 43 H VAL 43 0.679 -11.247 8.140 289 HA VAL 43 HA VAL 43 -2.195 -10.782 8.738 290 HB VAL 43 HB VAL 43 -0.613 -13.340 8.249 291 1HG1 VAL 43 1HG1 VAL 43 -3.624 -12.919 8.513 292 2HG1 VAL 43 2HG1 VAL 43 -2.849 -14.403 7.925 293 3HG1 VAL 43 3HG1 VAL 43 -2.590 -13.894 9.587 294 1HG2 VAL 43 1HG2 VAL 43 -0.794 -11.962 6.206 295 2HG2 VAL 43 2HG2 VAL 43 -1.827 -13.385 6.081 296 3HG2 VAL 43 3HG2 VAL 43 -2.543 -11.801 6.457 297 H THR 44 H THR 44 -3.185 -11.594 10.621 298 HA THR 44 HA THR 44 -2.135 -10.997 13.064 299 HB THR 44 HB THR 44 -4.191 -13.189 12.603 300 HG1 THR 44 1HG THR 44 -5.671 -11.494 12.483 301 1HG2 THR 44 1HG2 THR 44 -3.630 -12.840 14.988 302 2HG2 THR 44 2HG2 THR 44 -3.893 -11.089 14.806 303 3HG2 THR 44 3HG2 THR 44 -5.248 -12.229 14.637 304 H ARG 45 H ARG 45 -1.013 -11.919 14.691 305 HA ARG 45 HA ARG 45 -0.306 -14.785 14.720 306 1HB ARG 45 2HB ARG 45 1.367 -13.097 13.314 307 2HB ARG 45 3HB ARG 45 2.010 -12.863 14.927 308 1HG ARG 45 2HG ARG 45 3.302 -14.604 13.964 309 2HG ARG 45 3HG ARG 45 2.204 -15.430 15.074 310 1HD ARG 45 2HD ARG 45 2.160 -16.740 13.129 311 2HD ARG 45 3HD ARG 45 0.663 -15.822 13.042 312 HE ARG 45 HE ARG 45 3.183 -15.061 11.579 313 1HH1 ARG 45 2HH2 ARG 45 -0.323 -15.224 11.408 314 2HH1 ARG 45 1HH2 ARG 45 -0.305 -15.272 9.667 315 1HH2 ARG 45 2HH1 ARG 45 3.090 -14.846 9.394 316 2HH2 ARG 45 1HH1 ARG 45 1.562 -14.902 8.570 317 H GLY 46 H GLY 46 1.119 -15.275 16.656 318 1HA GLY 46 2HA GLY 46 0.020 -14.108 19.097 319 2HA GLY 46 3HA GLY 46 1.159 -15.447 18.968 320 H ASP 47 H ASP 47 2.120 -12.597 17.277 321 HA ASP 47 HA ASP 47 3.638 -11.382 19.480 322 1HB ASP 47 2HB ASP 47 5.108 -13.193 18.556 323 2HB ASP 47 3HB ASP 47 4.966 -12.465 16.954 324 H VAL 48 H VAL 48 4.440 -9.231 18.869 325 HA VAL 48 HA VAL 48 3.195 -7.976 16.492 326 HB VAL 48 HB VAL 48 1.463 -8.196 18.288 327 1HG1 VAL 48 1HG1 VAL 48 2.885 -7.836 20.283 328 2HG1 VAL 48 2HG1 VAL 48 3.098 -6.134 19.816 329 3HG1 VAL 48 3HG1 VAL 48 1.489 -6.750 20.235 330 1HG2 VAL 48 1HG2 VAL 48 0.496 -6.052 18.039 331 2HG2 VAL 48 2HG2 VAL 48 2.048 -5.284 17.694 332 3HG2 VAL 48 3HG2 VAL 48 1.336 -6.433 16.529 333 H PHE 49 H PHE 49 3.687 -5.680 16.299 334 HA PHE 49 HA PHE 49 6.434 -5.005 17.277 335 1HB PHE 49 2HB PHE 49 5.037 -4.227 14.693 336 2HB PHE 49 3HB PHE 49 6.699 -3.835 15.142 337 HD1 PHE 49 1HD PHE 49 4.624 -6.197 13.436 338 HD2 PHE 49 2HD PHE 49 8.320 -5.826 15.627 339 HE1 PHE 49 1HE PHE 49 5.457 -8.282 12.383 340 HE2 PHE 49 2HE PHE 49 9.149 -7.920 14.576 341 HZ PHE 49 HZ PHE 49 7.721 -9.150 12.951 342 H THR 50 H THR 50 6.654 -2.411 16.595 343 HA THR 50 HA THR 50 5.258 -0.977 18.664 344 HB THR 50 HB THR 50 6.437 1.008 17.648 345 HG1 THR 50 1HG THR 50 7.905 0.560 15.997 346 1HG2 THR 50 1HG2 THR 50 7.530 -0.386 19.386 347 2HG2 THR 50 2HG2 THR 50 8.209 -1.434 18.121 348 3HG2 THR 50 3HG2 THR 50 8.697 0.270 18.228 349 H MET 51 H MET 51 4.292 -1.667 15.461 350 HA MET 51 HA MET 51 2.806 0.597 14.655 351 1HB MET 51 2HB MET 51 3.401 -1.359 13.238 352 2HB MET 51 3HB MET 51 2.249 -2.350 14.135 353 1HG MET 51 2HG MET 51 1.271 -1.672 12.053 354 2HG MET 51 3HG MET 51 0.401 -0.874 13.368 355 1HE MET 51 1HE MET 51 -0.743 0.649 11.475 356 2HE MET 51 2HE MET 51 0.180 1.608 10.296 357 3HE MET 51 3HE MET 51 0.227 -0.168 10.228 Start of MODEL 9 1 1H ASP 1 1H ASP 1 3.577 -1.656 -18.791 2 2H ASP 1 2H ASP 1 3.915 -0.058 -18.679 3 3H ASP 1 3H ASP 1 5.118 -1.122 -19.017 4 HA ASP 1 HA ASP 1 4.846 -2.169 -16.852 5 1HB ASP 1 2HB ASP 1 5.490 0.810 -16.849 6 2HB ASP 1 3HB ASP 1 5.802 -0.293 -15.498 7 H GLN 2 H GLN 2 3.900 -2.159 -14.778 8 HA GLN 2 HA GLN 2 1.576 -0.435 -14.209 9 1HB GLN 2 2HB GLN 2 0.749 -2.311 -15.666 10 2HB GLN 2 3HB GLN 2 1.360 -3.471 -14.482 11 1HG GLN 2 2HG GLN 2 -0.242 -2.610 -12.799 12 2HG GLN 2 3HG GLN 2 -0.752 -1.344 -13.921 13 1HE2 GLN 2 2HE2 GLN 2 -2.955 -2.003 -14.085 14 2HE2 GLN 2 1HE2 GLN 2 -3.400 -3.551 -14.802 15 H GLU 3 H GLU 3 1.022 -0.450 -11.961 16 HA GLU 3 HA GLU 3 3.143 -1.221 -10.138 17 1HB GLU 3 2HB GLU 3 0.320 -0.161 -9.729 18 2HB GLU 3 3HB GLU 3 1.386 -0.561 -8.377 19 1HG GLU 3 2HG GLU 3 2.133 1.467 -10.522 20 2HG GLU 3 3HG GLU 3 1.283 1.869 -9.033 21 H SER 4 H SER 4 3.433 -2.950 -8.953 22 HA SER 4 HA SER 4 1.231 -4.664 -8.082 23 1HB SER 4 2HB SER 4 1.951 -5.744 -10.199 24 2HB SER 4 3HB SER 4 3.608 -5.874 -9.557 25 HG SER 4 HG SER 4 2.192 -7.762 -9.264 26 H CYS 5 H CYS 5 1.837 -5.916 -6.251 27 HA CYS 5 HA CYS 5 3.624 -4.366 -4.563 28 1HB CYS 5 2HB CYS 5 1.229 -5.104 -4.192 29 2HB CYS 5 3HB CYS 5 1.868 -6.699 -3.757 30 H LYS 6 H LYS 6 4.879 -6.519 -6.448 31 HA LYS 6 HA LYS 6 5.650 -8.749 -4.785 32 1HB LYS 6 2HB LYS 6 6.961 -7.830 -7.352 33 2HB LYS 6 3HB LYS 6 7.046 -9.433 -6.617 34 1HG LYS 6 2HG LYS 6 4.639 -8.131 -7.957 35 2HG LYS 6 3HG LYS 6 5.609 -9.485 -8.520 36 1HD LYS 6 2HD LYS 6 3.664 -10.478 -7.811 37 2HD LYS 6 3HD LYS 6 4.757 -10.773 -6.450 38 1HE LYS 6 2HE LYS 6 3.696 -8.878 -5.228 39 2HE LYS 6 3HE LYS 6 2.679 -8.530 -6.633 40 1HZ LYS 6 1HZ LYS 6 1.561 -9.827 -4.883 41 2HZ LYS 6 2HZ LYS 6 1.547 -10.614 -6.312 42 3HZ LYS 6 3HZ LYS 6 2.587 -11.086 -5.125 43 H GLY 7 H GLY 7 6.598 -8.265 -2.956 44 1HA GLY 7 2HA GLY 7 8.442 -7.996 -1.551 45 2HA GLY 7 3HA GLY 7 9.395 -7.331 -2.888 46 H ARG 8 H ARG 8 6.201 -5.989 -2.160 47 HA ARG 8 HA ARG 8 7.517 -3.461 -1.148 48 1HB ARG 8 2HB ARG 8 5.320 -3.868 -3.198 49 2HB ARG 8 3HB ARG 8 5.750 -2.306 -2.515 50 1HG ARG 8 2HG ARG 8 7.984 -2.398 -3.445 51 2HG ARG 8 3HG ARG 8 7.717 -4.052 -4.028 52 1HD ARG 8 2HD ARG 8 7.460 -2.456 -5.838 53 2HD ARG 8 3HD ARG 8 5.945 -3.313 -5.510 54 HE ARG 8 HE ARG 8 5.831 -0.909 -4.013 55 1HH1 ARG 8 1HH1 ARG 8 5.818 -1.765 -7.415 56 2HH1 ARG 8 2HH1 ARG 8 5.035 -0.250 -7.855 57 1HH2 ARG 8 1HH2 ARG 8 4.767 0.784 -4.571 58 2HH2 ARG 8 2HH2 ARG 8 4.303 1.104 -6.267 59 H CYS 9 H CYS 9 4.685 -5.458 -0.676 60 HA CYS 9 HA CYS 9 2.837 -3.858 0.263 61 1HB CYS 9 2HB CYS 9 3.353 -6.601 1.401 62 2HB CYS 9 3HB CYS 9 1.801 -5.782 1.162 63 H THR 10 H THR 10 5.370 -3.134 1.827 64 HA THR 10 HA THR 10 4.004 -2.197 4.250 65 HB THR 10 HB THR 10 5.985 -2.745 5.675 66 HG1 THR 10 1HG THR 10 7.423 -4.300 4.927 67 1HG2 THR 10 1HG2 THR 10 4.744 -5.263 4.505 68 2HG2 THR 10 2HG2 THR 10 5.465 -5.053 6.113 69 3HG2 THR 10 3HG2 THR 10 3.961 -4.210 5.703 70 H GLU 11 H GLU 11 5.301 -1.261 1.536 71 HA GLU 11 HA GLU 11 7.653 0.166 2.017 72 1HB GLU 11 2HB GLU 11 7.152 1.353 -0.059 73 2HB GLU 11 3HB GLU 11 6.985 -0.387 -0.220 74 1HG GLU 11 2HG GLU 11 4.555 -0.213 -0.286 75 2HG GLU 11 3HG GLU 11 4.613 1.485 0.210 76 H GLY 12 H GLY 12 4.589 1.126 3.128 77 1HA GLY 12 2HA GLY 12 4.206 2.859 4.629 78 2HA GLY 12 3HA GLY 12 5.649 3.710 4.089 79 H PHE 13 H PHE 13 2.850 4.524 4.555 80 HA PHE 13 HA PHE 13 1.459 5.009 2.131 81 1HB PHE 13 2HB PHE 13 0.272 4.791 4.156 82 2HB PHE 13 3HB PHE 13 1.258 6.013 4.980 83 HD1 PHE 13 1HD PHE 13 -0.785 5.899 1.795 84 HD2 PHE 13 2HD PHE 13 -0.021 7.871 5.559 85 HE1 PHE 13 1HE PHE 13 -2.662 7.431 1.378 86 HE2 PHE 13 2HE PHE 13 -1.878 9.452 5.105 87 HZ PHE 13 HZ PHE 13 -3.222 9.222 3.025 88 H ASN 14 H ASN 14 1.376 6.575 0.756 89 HA ASN 14 HA ASN 14 1.857 9.354 1.344 90 1HB ASN 14 2HB ASN 14 4.193 8.810 0.845 91 2HB ASN 14 3HB ASN 14 3.702 7.941 -0.618 92 1HD2 ASN 14 2HD2 ASN 14 5.431 9.531 -1.468 93 2HD2 ASN 14 1HD2 ASN 14 4.781 11.061 -2.048 94 H VAL 15 H VAL 15 -0.222 9.715 0.740 95 HA VAL 15 HA VAL 15 -1.672 8.217 -1.082 96 HB VAL 15 HB VAL 15 -2.429 9.640 0.821 97 1HG1 VAL 15 1HG1 VAL 15 -3.264 11.796 0.544 98 2HG1 VAL 15 2HG1 VAL 15 -1.535 11.785 0.183 99 3HG1 VAL 15 3HG1 VAL 15 -2.718 11.872 -1.157 100 1HG2 VAL 15 1HG2 VAL 15 -4.680 9.805 0.052 101 2HG2 VAL 15 2HG2 VAL 15 -4.158 9.717 -1.646 102 3HG2 VAL 15 3HG2 VAL 15 -3.935 8.322 -0.556 103 H ASP 16 H ASP 16 0.557 10.605 -2.022 104 HA ASP 16 HA ASP 16 -0.583 11.259 -4.618 105 1HB ASP 16 2HB ASP 16 1.033 12.661 -3.309 106 2HB ASP 16 3HB ASP 16 2.275 11.439 -3.624 107 H LYS 17 H LYS 17 1.124 8.439 -3.435 108 HA LYS 17 HA LYS 17 2.453 7.647 -5.876 109 1HB LYS 17 2HB LYS 17 1.519 6.024 -3.472 110 2HB LYS 17 3HB LYS 17 2.496 5.366 -4.784 111 1HG LYS 17 2HG LYS 17 4.365 6.779 -4.229 112 2HG LYS 17 3HG LYS 17 3.415 7.669 -3.014 113 1HD LYS 17 2HD LYS 17 3.134 5.643 -1.668 114 2HD LYS 17 3HD LYS 17 3.912 4.658 -2.925 115 1HE LYS 17 2HE LYS 17 6.036 5.853 -2.586 116 2HE LYS 17 3HE LYS 17 5.298 6.854 -1.323 117 1HZ LYS 17 1HZ LYS 17 5.548 3.897 -1.247 118 2HZ LYS 17 2HZ LYS 17 6.498 4.929 -0.400 119 3HZ LYS 17 3HZ LYS 17 4.906 4.795 -0.033 120 H LYS 18 H LYS 18 1.976 5.976 -7.319 121 HA LYS 18 HA LYS 18 -0.665 5.986 -8.434 122 1HB LYS 18 2HB LYS 18 1.932 4.599 -9.063 123 2HB LYS 18 3HB LYS 18 0.451 3.984 -9.806 124 1HG LYS 18 2HG LYS 18 1.459 5.513 -11.328 125 2HG LYS 18 3HG LYS 18 -0.043 6.228 -10.714 126 1HD LYS 18 2HD LYS 18 1.319 7.621 -9.129 127 2HD LYS 18 3HD LYS 18 2.787 6.882 -9.769 128 1HE LYS 18 2HE LYS 18 2.564 9.015 -10.805 129 2HE LYS 18 3HE LYS 18 2.244 7.789 -12.034 130 1HZ LYS 18 1HZ LYS 18 -0.144 8.225 -11.735 131 2HZ LYS 18 2HZ LYS 18 0.162 9.337 -10.571 132 3HZ LYS 18 3HZ LYS 18 0.627 9.609 -12.109 133 H CYS 19 H CYS 19 0.720 3.838 -6.111 134 HA CYS 19 HA CYS 19 -1.940 2.568 -5.725 135 1HB CYS 19 2HB CYS 19 -1.103 0.420 -5.345 136 2HB CYS 19 3HB CYS 19 -0.465 0.867 -6.928 137 H GLN 20 H GLN 20 -2.265 1.948 -3.585 138 HA GLN 20 HA GLN 20 -0.244 2.901 -1.587 139 1HB GLN 20 2HB GLN 20 -3.235 2.638 -1.211 140 2HB GLN 20 3HB GLN 20 -2.044 3.198 -0.032 141 1HG GLN 20 2HG GLN 20 -2.738 4.588 -2.666 142 2HG GLN 20 3HG GLN 20 -3.195 5.150 -1.070 143 1HE2 GLN 20 2HE2 GLN 20 -1.407 6.324 -3.344 144 2HE2 GLN 20 1HE2 GLN 20 -0.012 6.820 -2.375 145 H CYS 21 H CYS 21 0.712 0.999 -2.426 146 HA CYS 21 HA CYS 21 -0.276 -1.677 -1.818 147 1HB CYS 21 2HB CYS 21 2.462 -0.615 -2.688 148 2HB CYS 21 3HB CYS 21 1.989 -2.305 -2.592 149 H ASP 22 H ASP 22 -0.547 -0.430 0.531 150 HA ASP 22 HA ASP 22 1.621 -1.369 2.322 151 1HB ASP 22 2HB ASP 22 2.298 0.879 1.551 152 2HB ASP 22 3HB ASP 22 0.736 1.532 2.059 153 H GLU 23 H GLU 23 1.071 -0.946 4.632 154 HA GLU 23 HA GLU 23 -1.153 -2.480 5.281 155 1HB GLU 23 2HB GLU 23 0.407 -0.597 7.092 156 2HB GLU 23 3HB GLU 23 -0.581 -1.968 7.608 157 1HG GLU 23 2HG GLU 23 0.930 -3.483 6.261 158 2HG GLU 23 3HG GLU 23 1.982 -2.097 5.959 159 H LEU 24 H LEU 24 -1.244 1.026 4.956 160 HA LEU 24 HA LEU 24 -3.651 1.253 6.693 161 1HB LEU 24 2HB LEU 24 -1.989 3.389 5.319 162 2HB LEU 24 3HB LEU 24 -3.259 3.658 6.511 163 HG LEU 24 HG LEU 24 -0.555 2.373 6.977 164 1HD1 LEU 24 1HD1 LEU 24 -1.782 4.959 8.007 165 2HD1 LEU 24 2HD1 LEU 24 -0.160 4.335 8.389 166 3HD1 LEU 24 3HD1 LEU 24 -0.551 4.822 6.732 167 1HD2 LEU 24 1HD2 LEU 24 -2.835 2.834 8.953 168 2HD2 LEU 24 2HD2 LEU 24 -2.175 1.259 8.454 169 3HD2 LEU 24 3HD2 LEU 24 -1.176 2.368 9.394 170 H CYS 25 H CYS 25 -3.287 0.541 3.462 171 HA CYS 25 HA CYS 25 -4.671 2.556 2.200 172 1HB CYS 25 2HB CYS 25 -4.611 1.306 0.277 173 2HB CYS 25 3HB CYS 25 -3.215 0.802 1.235 174 H SER 26 H SER 26 -6.307 0.182 4.061 175 HA SER 26 HA SER 26 -8.906 0.601 2.795 176 1HB SER 26 2HB SER 26 -8.266 -1.462 3.954 177 2HB SER 26 3HB SER 26 -8.189 -0.583 5.499 178 HG SER 26 HG SER 26 -10.208 -1.657 5.171 179 H TYR 27 H TYR 27 -7.093 2.321 5.309 180 HA TYR 27 HA TYR 27 -9.373 3.666 6.499 181 1HB TYR 27 2HB TYR 27 -7.714 3.661 8.004 182 2HB TYR 27 3HB TYR 27 -6.442 3.635 6.819 183 HD1 TYR 27 1HD TYR 27 -8.930 6.012 8.359 184 HD2 TYR 27 2HD TYR 27 -5.083 5.477 6.489 185 HE1 TYR 27 1HE TYR 27 -8.395 8.413 8.763 186 HE2 TYR 27 2HE TYR 27 -4.578 7.904 6.814 187 HH TYR 27 HH TYR 27 -6.877 10.103 8.478 188 H TYR 28 H TYR 28 -7.323 4.428 3.723 189 HA TYR 28 HA TYR 28 -9.085 6.773 3.129 190 1HB TYR 28 2HB TYR 28 -7.088 7.704 1.887 191 2HB TYR 28 3HB TYR 28 -7.007 7.669 3.645 192 HD1 TYR 28 1HD TYR 28 -5.060 6.860 4.662 193 HD2 TYR 28 2HD TYR 28 -6.021 5.575 0.682 194 HE1 TYR 28 1HE TYR 28 -3.054 5.409 4.670 195 HE2 TYR 28 2HE TYR 28 -4.002 4.151 0.669 196 HH TYR 28 HH TYR 28 -2.160 3.381 1.859 197 H GLN 29 H GLN 29 -9.080 3.769 2.306 198 HA GLN 29 HA GLN 29 -9.653 2.493 0.534 199 1HB GLN 29 2HB GLN 29 -11.397 4.886 -0.142 200 2HB GLN 29 3HB GLN 29 -11.675 3.200 -0.558 201 1HG GLN 29 2HG GLN 29 -13.116 3.502 1.215 202 2HG GLN 29 3HG GLN 29 -11.727 2.715 1.971 203 1HE2 GLN 29 2HE2 GLN 29 -11.316 3.635 3.971 204 2HE2 GLN 29 1HE2 GLN 29 -11.480 5.356 4.326 205 H SER 30 H SER 30 -7.215 3.402 -0.231 206 HA SER 30 HA SER 30 -7.512 3.882 -3.188 207 1HB SER 30 2HB SER 30 -5.500 5.279 -1.401 208 2HB SER 30 3HB SER 30 -5.632 5.428 -3.161 209 HG SER 30 HG SER 30 -7.639 6.173 -1.271 210 H CYS 31 H CYS 31 -6.935 1.390 -1.683 211 HA CYS 31 HA CYS 31 -4.271 0.511 -1.836 212 1HB CYS 31 2HB CYS 31 -6.783 -1.093 -2.424 213 2HB CYS 31 3HB CYS 31 -5.216 -1.691 -1.869 214 H CYS 32 H CYS 32 -3.307 -1.124 -3.300 215 HA CYS 32 HA CYS 32 -3.265 -0.534 -6.085 216 1HB CYS 32 2HB CYS 32 -2.502 -3.147 -6.046 217 2HB CYS 32 3HB CYS 32 -1.438 -1.802 -5.680 218 H THR 33 H THR 33 -4.088 -1.673 -7.885 219 HA THR 33 HA THR 33 -6.867 -2.100 -7.854 220 HB THR 33 HB THR 33 -6.437 -3.019 -10.213 221 HG1 THR 33 1HG THR 33 -4.348 -2.746 -10.965 222 1HG2 THR 33 1HG2 THR 33 -5.794 -0.828 -11.097 223 2HG2 THR 33 2HG2 THR 33 -6.939 -0.634 -9.760 224 3HG2 THR 33 3HG2 THR 33 -5.210 -0.316 -9.497 225 H ASP 34 H ASP 34 -4.464 -4.441 -7.069 226 HA ASP 34 HA ASP 34 -6.569 -6.564 -6.980 227 1HB ASP 34 2HB ASP 34 -3.677 -6.821 -7.890 228 2HB ASP 34 3HB ASP 34 -4.728 -8.197 -7.531 229 H TYR 35 H TYR 35 -5.308 -4.636 -4.858 230 HA TYR 35 HA TYR 35 -3.585 -5.705 -3.125 231 1HB TYR 35 2HB TYR 35 -4.681 -3.562 -2.820 232 2HB TYR 35 3HB TYR 35 -6.174 -4.367 -2.337 233 HD1 TYR 35 1HD TYR 35 -2.890 -3.150 -1.206 234 HD2 TYR 35 2HD TYR 35 -6.281 -5.617 -0.147 235 HE1 TYR 35 1HE TYR 35 -2.203 -3.079 1.159 236 HE2 TYR 35 2HE TYR 35 -5.583 -5.520 2.238 237 HH TYR 35 HH TYR 35 -2.760 -3.595 3.303 238 H THR 36 H THR 36 -7.019 -6.773 -2.914 239 HA THR 36 HA THR 36 -6.538 -8.548 -0.709 240 HB THR 36 HB THR 36 -8.825 -9.448 -1.387 241 HG1 THR 36 1HG THR 36 -9.930 -8.198 -2.900 242 1HG2 THR 36 1HG2 THR 36 -9.972 -7.427 -0.597 243 2HG2 THR 36 2HG2 THR 36 -8.455 -7.635 0.298 244 3HG2 THR 36 3HG2 THR 36 -8.554 -6.428 -0.996 245 H ALA 37 H ALA 37 -5.650 -9.016 -3.914 246 HA ALA 37 HA ALA 37 -5.373 -11.972 -3.479 247 1HB ALA 37 1HB ALA 37 -6.930 -11.412 -5.304 248 2HB ALA 37 2HB ALA 37 -5.668 -10.436 -6.091 249 3HB ALA 37 3HB ALA 37 -5.461 -12.192 -5.922 250 H GLU 38 H GLU 38 -3.722 -9.010 -4.548 251 HA GLU 38 HA GLU 38 -1.158 -10.517 -4.871 252 1HB GLU 38 2HB GLU 38 -2.265 -8.037 -6.227 253 2HB GLU 38 3HB GLU 38 -0.604 -8.588 -6.433 254 1HG GLU 38 2HG GLU 38 -3.092 -10.179 -7.178 255 2HG GLU 38 3HG GLU 38 -2.063 -9.284 -8.290 256 H CYS 39 H CYS 39 -2.491 -7.930 -2.908 257 HA CYS 39 HA CYS 39 0.303 -7.174 -2.164 258 1HB CYS 39 2HB CYS 39 -1.946 -5.298 -1.740 259 2HB CYS 39 3HB CYS 39 -0.268 -4.946 -1.869 260 H LYS 40 H LYS 40 -2.616 -8.478 -0.966 261 HA LYS 40 HA LYS 40 -2.958 -7.627 1.528 262 1HB LYS 40 2HB LYS 40 -3.752 -9.901 2.161 263 2HB LYS 40 3HB LYS 40 -4.480 -9.127 0.759 264 1HG LYS 40 2HG LYS 40 -3.267 -10.549 -0.781 265 2HG LYS 40 3HG LYS 40 -2.328 -11.279 0.543 266 1HD LYS 40 2HD LYS 40 -4.329 -12.262 1.512 267 2HD LYS 40 3HD LYS 40 -5.362 -11.398 0.366 268 1HE LYS 40 2HE LYS 40 -4.168 -12.620 -1.512 269 2HE LYS 40 3HE LYS 40 -3.332 -13.580 -0.285 270 1HZ LYS 40 1HZ LYS 40 -6.280 -13.454 -0.666 271 2HZ LYS 40 2HZ LYS 40 -5.327 -14.715 -1.082 272 3HZ LYS 40 3HZ LYS 40 -5.532 -14.337 0.491 273 HA PRO 41 HA PRO 41 1.022 -8.524 3.489 274 1HB PRO 41 2HB PRO 41 0.746 -6.879 5.662 275 2HB PRO 41 3HB PRO 41 1.060 -6.285 4.005 276 1HG PRO 41 2HG PRO 41 -1.569 -6.374 5.489 277 2HG PRO 41 3HG PRO 41 -0.905 -5.080 4.433 278 1HD PRO 41 2HD PRO 41 -2.734 -6.974 3.586 279 2HD PRO 41 3HD PRO 41 -1.606 -6.109 2.518 280 H GLN 42 H GLN 42 1.589 -9.030 5.953 281 HA GLN 42 HA GLN 42 0.231 -11.476 6.640 282 1HB GLN 42 2HB GLN 42 2.689 -11.035 6.753 283 2HB GLN 42 3HB GLN 42 2.410 -10.001 8.167 284 1HG GLN 42 2HG GLN 42 1.478 -11.975 9.383 285 2HG GLN 42 3HG GLN 42 1.676 -12.962 7.932 286 1HE2 GLN 42 1HE2 GLN 42 3.503 -14.269 8.062 287 2HE2 GLN 42 2HE2 GLN 42 4.978 -13.802 8.910 288 H VAL 43 H VAL 43 -1.888 -10.306 6.864 289 HA VAL 43 HA VAL 43 -2.519 -8.826 9.263 290 HB VAL 43 HB VAL 43 -4.866 -9.004 8.477 291 1HG1 VAL 43 1HG1 VAL 43 -4.589 -7.637 6.503 292 2HG1 VAL 43 2HG1 VAL 43 -3.357 -7.209 7.701 293 3HG1 VAL 43 3HG1 VAL 43 -2.921 -8.196 6.288 294 1HG2 VAL 43 1HG2 VAL 43 -4.762 -11.252 7.362 295 2HG2 VAL 43 2HG2 VAL 43 -5.404 -9.981 6.313 296 3HG2 VAL 43 3HG2 VAL 43 -3.741 -10.550 6.090 297 H THR 44 H THR 44 -1.286 -11.082 10.155 298 HA THR 44 HA THR 44 -3.158 -13.073 11.226 299 HB THR 44 HB THR 44 -1.170 -13.873 12.460 300 HG1 THR 44 1HG THR 44 0.798 -12.843 12.106 301 1HG2 THR 44 1HG2 THR 44 -0.559 -13.312 9.528 302 2HG2 THR 44 2HG2 THR 44 0.207 -14.542 10.558 303 3HG2 THR 44 3HG2 THR 44 -1.515 -14.668 10.160 304 H ARG 45 H ARG 45 -2.479 -13.406 13.810 305 HA ARG 45 HA ARG 45 -4.111 -11.792 15.364 306 1HB ARG 45 2HB ARG 45 -3.162 -14.033 15.915 307 2HB ARG 45 3HB ARG 45 -1.598 -13.282 16.243 308 1HG ARG 45 2HG ARG 45 -2.633 -11.965 18.096 309 2HG ARG 45 3HG ARG 45 -4.194 -12.746 17.769 310 1HD ARG 45 2HD ARG 45 -1.614 -14.166 18.566 311 2HD ARG 45 3HD ARG 45 -2.917 -13.728 19.683 312 HE ARG 45 HE ARG 45 -4.183 -15.228 17.717 313 1HH1 ARG 45 1HH2 ARG 45 -1.605 -15.897 19.996 314 2HH1 ARG 45 2HH2 ARG 45 -1.967 -17.601 20.042 315 1HH2 ARG 45 1HH1 ARG 45 -4.581 -17.411 17.816 316 2HH2 ARG 45 2HH1 ARG 45 -3.613 -18.427 18.844 317 H GLY 46 H GLY 46 -0.761 -11.062 14.537 318 1HA GLY 46 2HA GLY 46 0.317 -9.012 14.632 319 2HA GLY 46 3HA GLY 46 -1.069 -8.312 15.469 320 H ASP 47 H ASP 47 0.163 -11.148 16.998 321 HA ASP 47 HA ASP 47 1.212 -9.638 19.259 322 1HB ASP 47 2HB ASP 47 -0.215 -11.744 19.370 323 2HB ASP 47 3HB ASP 47 1.183 -12.647 18.787 324 H VAL 48 H VAL 48 2.574 -10.104 16.489 325 HA VAL 48 HA VAL 48 5.385 -10.063 17.392 326 HB VAL 48 HB VAL 48 6.094 -11.593 15.571 327 1HG1 VAL 48 1HG1 VAL 48 5.883 -12.418 17.897 328 2HG1 VAL 48 2HG1 VAL 48 4.236 -12.982 17.534 329 3HG1 VAL 48 3HG1 VAL 48 5.625 -13.683 16.683 330 1HG2 VAL 48 1HG2 VAL 48 4.091 -11.499 14.106 331 2HG2 VAL 48 2HG2 VAL 48 4.532 -13.157 14.529 332 3HG2 VAL 48 3HG2 VAL 48 3.156 -12.381 15.334 333 H PHE 49 H PHE 49 6.832 -9.295 15.629 334 HA PHE 49 HA PHE 49 5.426 -7.485 13.689 335 1HB PHE 49 2HB PHE 49 6.137 -6.347 15.768 336 2HB PHE 49 3HB PHE 49 7.803 -6.857 15.471 337 HD1 PHE 49 1HD PHE 49 4.970 -4.957 13.866 338 HD2 PHE 49 2HD PHE 49 9.242 -5.398 14.279 339 HE1 PHE 49 1HE PHE 49 5.315 -2.906 12.506 340 HE2 PHE 49 2HE PHE 49 9.581 -3.343 12.925 341 HZ PHE 49 HZ PHE 49 7.621 -2.096 12.035 342 H THR 50 H THR 50 8.091 -9.732 14.117 343 HA THR 50 HA THR 50 9.563 -8.982 11.722 344 HB THR 50 HB THR 50 10.525 -11.333 12.031 345 HG1 THR 50 1HG THR 50 10.118 -12.269 14.042 346 1HG2 THR 50 1HG2 THR 50 11.873 -10.678 13.978 347 2HG2 THR 50 2HG2 THR 50 11.640 -9.300 12.892 348 3HG2 THR 50 3HG2 THR 50 10.698 -9.409 14.395 349 H MET 51 H MET 51 9.648 -10.078 9.760 350 HA MET 51 HA MET 51 7.549 -11.998 8.974 351 1HB MET 51 2HB MET 51 6.489 -9.780 8.713 352 2HB MET 51 3HB MET 51 7.833 -9.244 7.695 353 1HG MET 51 2HG MET 51 7.257 -10.932 6.005 354 2HG MET 51 3HG MET 51 6.012 -11.600 7.072 355 1HE MET 51 1HE MET 51 6.846 -7.752 6.149 356 2HE MET 51 2HE MET 51 7.072 -8.713 4.668 357 3HE MET 51 3HE MET 51 5.721 -7.567 4.788 Start of MODEL 10 1 1H ASP 1 1H ASP 1 -1.146 0.836 -16.135 2 2H ASP 1 2H ASP 1 -1.181 2.426 -16.522 3 3H ASP 1 3H ASP 1 -0.642 1.955 -15.051 4 HA ASP 1 HA ASP 1 -2.830 2.891 -14.865 5 1HB ASP 1 2HB ASP 1 -3.551 2.330 -17.163 6 2HB ASP 1 3HB ASP 1 -3.704 0.629 -16.704 7 H GLN 2 H GLN 2 -3.181 -0.692 -15.159 8 HA GLN 2 HA GLN 2 -3.671 -0.990 -12.317 9 1HB GLN 2 2HB GLN 2 -3.786 -3.340 -12.767 10 2HB GLN 2 3HB GLN 2 -4.663 -2.471 -14.022 11 1HG GLN 2 2HG GLN 2 -2.711 -2.757 -15.560 12 2HG GLN 2 3HG GLN 2 -1.859 -3.665 -14.309 13 1HE2 GLN 2 2HE2 GLN 2 -2.897 -4.469 -17.087 14 2HE2 GLN 2 1HE2 GLN 2 -3.846 -5.915 -16.737 15 H GLU 3 H GLU 3 -2.392 -2.543 -10.956 16 HA GLU 3 HA GLU 3 0.528 -2.566 -11.454 17 1HB GLU 3 2HB GLU 3 0.122 -0.462 -10.274 18 2HB GLU 3 3HB GLU 3 -0.836 -1.298 -9.047 19 1HG GLU 3 2HG GLU 3 1.284 -0.675 -8.142 20 2HG GLU 3 3HG GLU 3 1.177 -2.416 -8.187 21 H SER 4 H SER 4 1.703 -3.978 -10.139 22 HA SER 4 HA SER 4 0.203 -6.136 -8.690 23 1HB SER 4 2HB SER 4 2.593 -6.431 -10.562 24 2HB SER 4 3HB SER 4 1.931 -7.722 -9.536 25 HG SER 4 HG SER 4 1.135 -7.761 -11.723 26 H CYS 5 H CYS 5 1.395 -7.132 -6.957 27 HA CYS 5 HA CYS 5 2.830 -5.021 -5.516 28 1HB CYS 5 2HB CYS 5 0.900 -6.489 -4.746 29 2HB CYS 5 3HB CYS 5 2.102 -7.759 -4.473 30 H LYS 6 H LYS 6 4.046 -7.531 -7.385 31 HA LYS 6 HA LYS 6 5.958 -8.697 -5.595 32 1HB LYS 6 2HB LYS 6 5.584 -8.782 -8.595 33 2HB LYS 6 3HB LYS 6 6.908 -9.648 -7.774 34 1HG LYS 6 2HG LYS 6 5.380 -10.857 -6.358 35 2HG LYS 6 3HG LYS 6 3.977 -9.954 -6.949 36 1HD LYS 6 2HD LYS 6 5.717 -11.700 -8.709 37 2HD LYS 6 3HD LYS 6 4.314 -12.300 -7.834 38 1HE LYS 6 2HE LYS 6 4.191 -10.006 -9.851 39 2HE LYS 6 3HE LYS 6 3.924 -11.699 -10.271 40 1HZ LYS 6 1HZ LYS 6 1.814 -10.654 -9.854 41 2HZ LYS 6 2HZ LYS 6 2.067 -11.725 -8.656 42 3HZ LYS 6 3HZ LYS 6 2.228 -10.137 -8.365 43 H GLY 7 H GLY 7 7.061 -7.261 -4.591 44 1HA GLY 7 2HA GLY 7 9.387 -6.338 -4.490 45 2HA GLY 7 3HA GLY 7 9.041 -5.491 -6.006 46 H ARG 8 H ARG 8 6.266 -5.359 -4.042 47 HA ARG 8 HA ARG 8 6.969 -2.620 -2.994 48 1HB ARG 8 2HB ARG 8 4.478 -3.488 -4.523 49 2HB ARG 8 3HB ARG 8 4.738 -1.916 -3.778 50 1HG ARG 8 2HG ARG 8 6.859 -1.731 -5.257 51 2HG ARG 8 3HG ARG 8 6.200 -3.120 -6.139 52 1HD ARG 8 2HD ARG 8 5.512 -1.169 -7.295 53 2HD ARG 8 3HD ARG 8 4.064 -1.793 -6.475 54 HE ARG 8 HE ARG 8 5.245 0.048 -4.692 55 1HH1 ARG 8 1HH1 ARG 8 3.918 0.367 -7.964 56 2HH1 ARG 8 2HH1 ARG 8 3.540 2.049 -7.691 57 1HH2 ARG 8 1HH2 ARG 8 4.459 2.019 -4.365 58 2HH2 ARG 8 2HH2 ARG 8 3.855 2.980 -5.704 59 H CYS 9 H CYS 9 4.940 -5.477 -2.342 60 HA CYS 9 HA CYS 9 3.168 -4.459 -0.595 61 1HB CYS 9 2HB CYS 9 4.551 -7.037 0.137 62 2HB CYS 9 3HB CYS 9 2.857 -6.584 0.321 63 H THR 10 H THR 10 3.062 -3.399 1.216 64 HA THR 10 HA THR 10 3.486 -2.381 3.144 65 HB THR 10 HB THR 10 5.557 -4.398 4.005 66 HG1 THR 10 1HG THR 10 3.890 -5.757 4.591 67 1HG2 THR 10 1HG2 THR 10 3.217 -3.055 5.451 68 2HG2 THR 10 2HG2 THR 10 4.414 -4.146 6.181 69 3HG2 THR 10 3HG2 THR 10 4.913 -2.558 5.598 70 H GLU 11 H GLU 11 5.072 -1.681 0.758 71 HA GLU 11 HA GLU 11 7.660 -0.764 1.447 72 1HB GLU 11 2HB GLU 11 7.368 0.853 -0.398 73 2HB GLU 11 3HB GLU 11 6.974 -0.800 -0.833 74 1HG GLU 11 2HG GLU 11 4.510 -0.226 -0.588 75 2HG GLU 11 3HG GLU 11 4.986 1.422 -0.162 76 H GLY 12 H GLY 12 4.648 0.512 2.567 77 1HA GLY 12 2HA GLY 12 4.648 1.965 4.507 78 2HA GLY 12 3HA GLY 12 6.022 2.859 3.845 79 H PHE 13 H PHE 13 3.533 3.951 4.758 80 HA PHE 13 HA PHE 13 1.771 4.517 2.530 81 1HB PHE 13 2HB PHE 13 0.903 4.367 4.764 82 2HB PHE 13 3HB PHE 13 1.993 5.637 5.341 83 HD1 PHE 13 1HD PHE 13 -0.808 4.985 2.895 84 HD2 PHE 13 2HD PHE 13 1.199 7.892 5.389 85 HE1 PHE 13 1HE PHE 13 -2.708 6.553 2.624 86 HE2 PHE 13 2HE PHE 13 -0.709 9.434 5.123 87 HZ PHE 13 HZ PHE 13 -2.673 8.755 3.786 88 H ASN 14 H ASN 14 1.455 6.189 1.385 89 HA ASN 14 HA ASN 14 2.453 8.850 1.825 90 1HB ASN 14 2HB ASN 14 4.422 7.972 0.622 91 2HB ASN 14 3HB ASN 14 3.385 7.303 -0.644 92 1HD2 ASN 14 2HD2 ASN 14 5.388 8.888 -1.489 93 2HD2 ASN 14 1HD2 ASN 14 4.735 10.449 -1.988 94 H VAL 15 H VAL 15 0.577 9.950 1.454 95 HA VAL 15 HA VAL 15 -1.640 8.488 0.342 96 HB VAL 15 HB VAL 15 -1.590 10.054 2.316 97 1HG1 VAL 15 1HG1 VAL 15 -0.598 12.002 1.332 98 2HG1 VAL 15 2HG1 VAL 15 -2.046 12.239 0.307 99 3HG1 VAL 15 3HG1 VAL 15 -2.166 12.324 2.085 100 1HG2 VAL 15 1HG2 VAL 15 -3.599 8.967 1.487 101 2HG2 VAL 15 2HG2 VAL 15 -3.928 10.581 2.132 102 3HG2 VAL 15 3HG2 VAL 15 -3.893 10.330 0.374 103 H ASP 16 H ASP 16 0.677 10.386 -1.240 104 HA ASP 16 HA ASP 16 -1.064 11.392 -3.372 105 1HB ASP 16 2HB ASP 16 0.920 12.606 -2.490 106 2HB ASP 16 3HB ASP 16 1.957 11.320 -3.128 107 H LYS 17 H LYS 17 1.052 8.543 -2.969 108 HA LYS 17 HA LYS 17 1.292 8.052 -5.823 109 1HB LYS 17 2HB LYS 17 2.513 6.049 -5.254 110 2HB LYS 17 3HB LYS 17 3.063 7.418 -4.277 111 1HG LYS 17 2HG LYS 17 1.632 6.571 -2.402 112 2HG LYS 17 3HG LYS 17 1.263 5.129 -3.363 113 1HD LYS 17 2HD LYS 17 3.668 4.517 -3.367 114 2HD LYS 17 3HD LYS 17 4.063 6.042 -2.551 115 1HE LYS 17 2HE LYS 17 4.043 4.552 -0.755 116 2HE LYS 17 3HE LYS 17 2.421 5.270 -0.689 117 1HZ LYS 17 1HZ LYS 17 2.151 2.944 -0.478 118 2HZ LYS 17 2HZ LYS 17 1.746 3.249 -2.063 119 3HZ LYS 17 3HZ LYS 17 3.206 2.622 -1.727 120 H LYS 18 H LYS 18 0.491 6.451 -7.092 121 HA LYS 18 HA LYS 18 -2.317 6.111 -6.858 122 1HB LYS 18 2HB LYS 18 -1.102 6.494 -8.959 123 2HB LYS 18 3HB LYS 18 -0.345 4.904 -8.832 124 1HG LYS 18 2HG LYS 18 -2.121 4.851 -10.466 125 2HG LYS 18 3HG LYS 18 -2.590 3.842 -9.091 126 1HD LYS 18 2HD LYS 18 -3.981 5.761 -8.228 127 2HD LYS 18 3HD LYS 18 -3.531 6.695 -9.668 128 1HE LYS 18 2HE LYS 18 -4.532 4.930 -11.113 129 2HE LYS 18 3HE LYS 18 -4.983 4.007 -9.672 130 1HZ LYS 18 1HZ LYS 18 -5.992 6.726 -10.333 131 2HZ LYS 18 2HZ LYS 18 -6.841 5.344 -10.493 132 3HZ LYS 18 3HZ LYS 18 -6.414 5.865 -9.008 133 H CYS 19 H CYS 19 0.241 3.778 -6.189 134 HA CYS 19 HA CYS 19 -1.851 1.791 -5.343 135 1HB CYS 19 2HB CYS 19 -0.328 0.797 -6.922 136 2HB CYS 19 3HB CYS 19 1.065 1.391 -6.007 137 H GLN 20 H GLN 20 -2.373 2.290 -3.299 138 HA GLN 20 HA GLN 20 -0.210 2.777 -1.325 139 1HB GLN 20 2HB GLN 20 -3.207 2.796 -1.087 140 2HB GLN 20 3HB GLN 20 -2.078 2.980 0.291 141 1HG GLN 20 2HG GLN 20 -0.945 4.823 -0.830 142 2HG GLN 20 3HG GLN 20 -1.989 4.673 -2.245 143 1HE2 GLN 20 2HE2 GLN 20 -2.324 6.836 -2.006 144 2HE2 GLN 20 1HE2 GLN 20 -3.573 7.455 -0.906 145 H CYS 21 H CYS 21 0.763 0.942 -2.103 146 HA CYS 21 HA CYS 21 -0.177 -1.744 -1.536 147 1HB CYS 21 2HB CYS 21 2.738 -1.164 -1.854 148 2HB CYS 21 3HB CYS 21 1.766 -2.416 -2.598 149 H ASP 22 H ASP 22 -0.471 -0.209 0.784 150 HA ASP 22 HA ASP 22 1.452 -1.295 2.754 151 1HB ASP 22 2HB ASP 22 1.885 1.026 3.592 152 2HB ASP 22 3HB ASP 22 2.501 0.729 1.966 153 H GLU 23 H GLU 23 0.908 -0.257 4.964 154 HA GLU 23 HA GLU 23 -1.367 -1.623 5.830 155 1HB GLU 23 2HB GLU 23 0.226 0.476 7.347 156 2HB GLU 23 3HB GLU 23 -0.750 -0.823 8.039 157 1HG GLU 23 2HG GLU 23 0.786 -2.493 6.931 158 2HG GLU 23 3HG GLU 23 1.819 -1.150 6.419 159 H LEU 24 H LEU 24 -1.354 1.748 4.855 160 HA LEU 24 HA LEU 24 -3.815 2.305 6.487 161 1HB LEU 24 2HB LEU 24 -1.792 4.176 5.221 162 2HB LEU 24 3HB LEU 24 -3.227 4.687 6.103 163 HG LEU 24 HG LEU 24 -0.855 3.177 7.264 164 1HD1 LEU 24 1HD1 LEU 24 -0.497 5.254 8.533 165 2HD1 LEU 24 2HD1 LEU 24 -0.446 5.563 6.793 166 3HD1 LEU 24 3HD1 LEU 24 -1.890 6.007 7.722 167 1HD2 LEU 24 1HD2 LEU 24 -3.407 4.160 8.621 168 2HD2 LEU 24 2HD2 LEU 24 -2.864 2.470 8.475 169 3HD2 LEU 24 3HD2 LEU 24 -1.949 3.600 9.474 170 H CYS 25 H CYS 25 -3.221 1.280 3.414 171 HA CYS 25 HA CYS 25 -4.475 3.176 1.794 172 1HB CYS 25 2HB CYS 25 -4.396 1.560 0.132 173 2HB CYS 25 3HB CYS 25 -3.065 1.165 1.234 174 H SER 26 H SER 26 -6.111 0.632 3.671 175 HA SER 26 HA SER 26 -8.602 0.649 2.305 176 1HB SER 26 2HB SER 26 -7.818 -1.093 3.906 177 2HB SER 26 3HB SER 26 -8.054 0.048 5.239 178 HG SER 26 HG SER 26 -10.019 -1.081 3.505 179 H TYR 27 H TYR 27 -7.424 2.693 4.928 180 HA TYR 27 HA TYR 27 -9.822 4.143 5.529 181 1HB TYR 27 2HB TYR 27 -8.093 4.028 7.110 182 2HB TYR 27 3HB TYR 27 -6.864 4.467 5.952 183 HD1 TYR 27 1HD TYR 27 -5.770 6.348 6.541 184 HD2 TYR 27 2HD TYR 27 -10.035 6.173 7.162 185 HE1 TYR 27 1HE TYR 27 -5.734 8.692 7.350 186 HE2 TYR 27 2HE TYR 27 -10.002 8.517 8.004 187 HH TYR 27 HH TYR 27 -8.727 10.367 8.447 188 H TYR 28 H TYR 28 -7.747 4.326 2.747 189 HA TYR 28 HA TYR 28 -9.109 6.847 1.852 190 1HB TYR 28 2HB TYR 28 -6.385 5.704 1.148 191 2HB TYR 28 3HB TYR 28 -7.129 7.085 0.338 192 HD1 TYR 28 1HD TYR 28 -5.276 5.997 3.288 193 HD2 TYR 28 2HD TYR 28 -7.660 9.182 1.605 194 HE1 TYR 28 1HE TYR 28 -4.390 7.574 4.992 195 HE2 TYR 28 2HE TYR 28 -6.762 10.758 3.308 196 HH TYR 28 HH TYR 28 -5.345 11.033 5.085 197 H GLN 29 H GLN 29 -8.988 3.505 1.271 198 HA GLN 29 HA GLN 29 -9.576 2.104 -0.357 199 1HB GLN 29 2HB GLN 29 -11.392 4.278 -1.453 200 2HB GLN 29 3HB GLN 29 -11.493 2.542 -1.713 201 1HG GLN 29 2HG GLN 29 -13.132 2.859 -0.129 202 2HG GLN 29 3HG GLN 29 -11.770 2.329 0.863 203 1HE2 GLN 29 2HE2 GLN 29 -11.384 3.636 2.680 204 2HE2 GLN 29 1HE2 GLN 29 -11.964 5.301 2.824 205 H SER 30 H SER 30 -7.198 3.553 -0.765 206 HA SER 30 HA SER 30 -6.974 3.809 -3.749 207 1HB SER 30 2HB SER 30 -5.484 5.209 -1.513 208 2HB SER 30 3HB SER 30 -5.061 5.342 -3.237 209 HG SER 30 HG SER 30 -6.428 7.046 -2.585 210 H CYS 31 H CYS 31 -6.583 1.369 -1.966 211 HA CYS 31 HA CYS 31 -3.862 0.533 -1.942 212 1HB CYS 31 2HB CYS 31 -6.303 -1.207 -2.381 213 2HB CYS 31 3HB CYS 31 -4.791 -1.627 -1.573 214 H CYS 32 H CYS 32 -2.735 -0.991 -3.386 215 HA CYS 32 HA CYS 32 -2.714 -0.985 -6.049 216 1HB CYS 32 2HB CYS 32 -2.760 -3.807 -5.347 217 2HB CYS 32 3HB CYS 32 -1.415 -2.811 -5.857 218 H THR 33 H THR 33 -3.699 -1.958 -7.886 219 HA THR 33 HA THR 33 -6.520 -2.149 -7.858 220 HB THR 33 HB THR 33 -6.164 -3.056 -10.247 221 HG1 THR 33 1HG THR 33 -4.038 -3.832 -9.933 222 1HG2 THR 33 1HG2 THR 33 -6.554 -0.657 -9.656 223 2HG2 THR 33 2HG2 THR 33 -4.796 -0.436 -9.505 224 3HG2 THR 33 3HG2 THR 33 -5.520 -0.876 -11.070 225 H ASP 34 H ASP 34 -4.371 -4.659 -6.993 226 HA ASP 34 HA ASP 34 -6.719 -6.453 -6.750 227 1HB ASP 34 2HB ASP 34 -5.303 -7.048 -8.783 228 2HB ASP 34 3HB ASP 34 -3.996 -7.453 -7.661 229 H TYR 35 H TYR 35 -5.319 -4.670 -4.874 230 HA TYR 35 HA TYR 35 -3.465 -5.578 -3.155 231 1HB TYR 35 2HB TYR 35 -4.448 -3.426 -2.875 232 2HB TYR 35 3HB TYR 35 -6.042 -4.117 -2.567 233 HD1 TYR 35 1HD TYR 35 -6.635 -5.069 -0.381 234 HD2 TYR 35 2HD TYR 35 -2.783 -3.231 -1.064 235 HE1 TYR 35 1HE TYR 35 -6.286 -4.853 2.073 236 HE2 TYR 35 2HE TYR 35 -2.442 -3.037 1.378 237 HH TYR 35 HH TYR 35 -3.381 -3.277 3.445 238 H THR 36 H THR 36 -6.895 -6.596 -2.735 239 HA THR 36 HA THR 36 -6.436 -8.022 -0.368 240 HB THR 36 HB THR 36 -8.670 -8.919 -2.155 241 HG1 THR 36 1HG THR 36 -9.780 -7.012 -1.765 242 1HG2 THR 36 1HG2 THR 36 -9.961 -8.561 -0.043 243 2HG2 THR 36 2HG2 THR 36 -8.588 -9.644 0.215 244 3HG2 THR 36 3HG2 THR 36 -8.483 -7.952 0.743 245 H ALA 37 H ALA 37 -5.460 -9.031 -3.473 246 HA ALA 37 HA ALA 37 -4.900 -11.766 -2.385 247 1HB ALA 37 1HB ALA 37 -6.540 -11.885 -4.208 248 2HB ALA 37 2HB ALA 37 -5.434 -10.988 -5.276 249 3HB ALA 37 3HB ALA 37 -4.991 -12.606 -4.688 250 H GLU 38 H GLU 38 -3.619 -9.007 -4.290 251 HA GLU 38 HA GLU 38 -0.988 -10.287 -4.574 252 1HB GLU 38 2HB GLU 38 -2.328 -7.773 -5.547 253 2HB GLU 38 3HB GLU 38 -0.573 -7.791 -5.488 254 1HG GLU 38 2HG GLU 38 -2.139 -9.961 -6.898 255 2HG GLU 38 3HG GLU 38 -1.605 -8.472 -7.685 256 H CYS 39 H CYS 39 -2.298 -7.688 -2.442 257 HA CYS 39 HA CYS 39 0.486 -7.268 -1.426 258 1HB CYS 39 2HB CYS 39 -1.587 -5.156 -1.206 259 2HB CYS 39 3HB CYS 39 0.144 -4.993 -1.322 260 H LYS 40 H LYS 40 -2.615 -8.227 -0.489 261 HA LYS 40 HA LYS 40 -3.310 -7.273 1.867 262 1HB LYS 40 2HB LYS 40 -4.448 -9.009 0.632 263 2HB LYS 40 3HB LYS 40 -3.279 -10.215 1.185 264 1HG LYS 40 2HG LYS 40 -4.033 -9.980 3.493 265 2HG LYS 40 3HG LYS 40 -4.980 -8.533 3.083 266 1HD LYS 40 2HD LYS 40 -6.479 -10.433 3.337 267 2HD LYS 40 3HD LYS 40 -6.468 -9.870 1.665 268 1HE LYS 40 2HE LYS 40 -4.659 -11.738 1.287 269 2HE LYS 40 3HE LYS 40 -5.198 -12.373 2.845 270 1HZ LYS 40 1HZ LYS 40 -7.471 -12.468 1.861 271 2HZ LYS 40 2HZ LYS 40 -6.864 -11.935 0.425 272 3HZ LYS 40 3HZ LYS 40 -6.417 -13.392 1.020 273 HA PRO 41 HA PRO 41 0.333 -7.779 4.595 274 1HB PRO 41 2HB PRO 41 -1.722 -6.514 6.416 275 2HB PRO 41 3HB PRO 41 0.025 -6.144 6.263 276 1HG PRO 41 2HG PRO 41 -1.827 -4.536 5.105 277 2HG PRO 41 3HG PRO 41 -0.331 -4.973 4.212 278 1HD PRO 41 2HD PRO 41 -3.102 -6.162 3.908 279 2HD PRO 41 3HD PRO 41 -1.926 -5.710 2.657 280 H GLN 42 H GLN 42 0.811 -9.191 6.332 281 HA GLN 42 HA GLN 42 -1.003 -11.386 6.891 282 1HB GLN 42 2HB GLN 42 1.587 -10.494 8.229 283 2HB GLN 42 3HB GLN 42 0.692 -11.971 8.633 284 1HG GLN 42 2HG GLN 42 0.967 -12.778 6.294 285 2HG GLN 42 3HG GLN 42 1.977 -11.371 5.937 286 1HE2 GLN 42 2HE2 GLN 42 2.370 -14.553 6.463 287 2HE2 GLN 42 1HE2 GLN 42 3.828 -14.549 7.465 288 H VAL 43 H VAL 43 -2.271 -11.777 8.634 289 HA VAL 43 HA VAL 43 -2.400 -9.877 10.914 290 HB VAL 43 HB VAL 43 -4.902 -9.881 10.786 291 1HG1 VAL 43 1HG1 VAL 43 -5.127 -8.188 9.099 292 2HG1 VAL 43 2HG1 VAL 43 -3.580 -7.975 9.933 293 3HG1 VAL 43 3HG1 VAL 43 -3.624 -8.690 8.306 294 1HG2 VAL 43 1HG2 VAL 43 -6.052 -10.472 8.726 295 2HG2 VAL 43 2HG2 VAL 43 -4.537 -10.984 7.962 296 3HG2 VAL 43 3HG2 VAL 43 -5.203 -11.901 9.333 297 H THR 44 H THR 44 -1.245 -12.422 10.727 298 HA THR 44 HA THR 44 -2.655 -13.863 12.878 299 HB THR 44 HB THR 44 -3.670 -14.610 10.732 300 HG1 THR 44 1HG THR 44 -3.623 -16.768 11.261 301 1HG2 THR 44 1HG2 THR 44 -1.639 -14.593 9.285 302 2HG2 THR 44 2HG2 THR 44 -1.033 -16.019 10.157 303 3HG2 THR 44 3HG2 THR 44 -2.541 -16.113 9.230 304 H ARG 45 H ARG 45 -0.250 -12.462 12.880 305 HA ARG 45 HA ARG 45 1.753 -14.610 13.519 306 1HB ARG 45 2HB ARG 45 2.459 -11.852 12.448 307 2HB ARG 45 3HB ARG 45 3.568 -13.155 12.830 308 1HG ARG 45 2HG ARG 45 1.671 -12.941 10.491 309 2HG ARG 45 3HG ARG 45 3.438 -13.029 10.494 310 1HD ARG 45 2HD ARG 45 1.450 -15.264 10.961 311 2HD ARG 45 3HD ARG 45 2.619 -15.100 9.674 312 HE ARG 45 HE ARG 45 4.430 -15.412 11.363 313 1HH1 ARG 45 1HH2 ARG 45 1.267 -16.651 12.363 314 2HH1 ARG 45 2HH2 ARG 45 2.014 -17.981 13.208 315 1HH2 ARG 45 1HH1 ARG 45 5.231 -17.014 12.440 316 2HH2 ARG 45 2HH1 ARG 45 4.229 -18.160 13.319 317 H GLY 46 H GLY 46 3.285 -14.125 15.130 318 1HA GLY 46 2HA GLY 46 2.127 -12.665 17.414 319 2HA GLY 46 3HA GLY 46 3.531 -13.731 17.417 320 H ASP 47 H ASP 47 4.702 -12.100 15.063 321 HA ASP 47 HA ASP 47 5.369 -9.507 16.287 322 1HB ASP 47 2HB ASP 47 6.816 -11.302 17.392 323 2HB ASP 47 3HB ASP 47 7.477 -11.653 15.793 324 H VAL 48 H VAL 48 6.823 -8.243 14.891 325 HA VAL 48 HA VAL 48 6.293 -8.563 12.022 326 HB VAL 48 HB VAL 48 7.482 -6.392 11.790 327 1HG1 VAL 48 1HG1 VAL 48 5.315 -6.380 13.923 328 2HG1 VAL 48 2HG1 VAL 48 5.785 -5.035 12.864 329 3HG1 VAL 48 3HG1 VAL 48 5.055 -6.489 12.168 330 1HG2 VAL 48 1HG2 VAL 48 9.045 -6.589 13.747 331 2HG2 VAL 48 2HG2 VAL 48 8.121 -5.081 13.732 332 3HG2 VAL 48 3HG2 VAL 48 7.659 -6.384 14.840 333 H PHE 49 H PHE 49 7.772 -10.646 13.056 334 HA PHE 49 HA PHE 49 10.168 -10.657 11.340 335 1HB PHE 49 2HB PHE 49 10.941 -9.703 13.526 336 2HB PHE 49 3HB PHE 49 10.410 -11.185 14.329 337 HD1 PHE 49 1HD PHE 49 12.724 -9.858 11.690 338 HD2 PHE 49 2HD PHE 49 11.878 -13.080 14.432 339 HE1 PHE 49 1HE PHE 49 14.935 -10.873 11.183 340 HE2 PHE 49 2HE PHE 49 14.089 -14.090 13.923 341 HZ PHE 49 HZ PHE 49 15.620 -12.991 12.298 342 H THR 50 H THR 50 7.883 -12.436 13.427 343 HA THR 50 HA THR 50 8.867 -15.070 12.659 344 HB THR 50 HB THR 50 6.878 -15.865 13.946 345 HG1 THR 50 1HG THR 50 5.797 -14.283 15.171 346 1HG2 THR 50 1HG2 THR 50 8.561 -13.798 15.422 347 2HG2 THR 50 2HG2 THR 50 7.673 -15.162 16.134 348 3HG2 THR 50 3HG2 THR 50 9.049 -15.468 15.064 349 H MET 51 H MET 51 8.086 -13.346 10.476 350 HA MET 51 HA MET 51 5.682 -13.510 9.214 351 1HB MET 51 2HB MET 51 7.629 -12.252 8.445 352 2HB MET 51 3HB MET 51 8.455 -13.751 8.002 353 1HG MET 51 2HG MET 51 6.719 -14.204 6.293 354 2HG MET 51 3HG MET 51 5.866 -12.732 6.779 355 1HE MET 51 1HE MET 51 9.856 -12.917 4.429 356 2HE MET 51 2HE MET 51 9.790 -13.423 6.128 357 3HE MET 51 3HE MET 51 8.866 -14.316 4.897 Start of MODEL 11 1 1H ASP 1 1H ASP 1 2.459 -2.356 -21.047 2 2H ASP 1 2H ASP 1 1.429 -1.081 -21.073 3 3H ASP 1 3H ASP 1 2.966 -0.900 -21.611 4 HA ASP 1 HA ASP 1 3.861 -1.217 -19.433 5 1HB ASP 1 2HB ASP 1 3.102 0.804 -18.355 6 2HB ASP 1 3HB ASP 1 3.211 1.080 -20.097 7 H GLN 2 H GLN 2 3.349 -1.204 -17.044 8 HA GLN 2 HA GLN 2 0.890 -2.689 -16.289 9 1HB GLN 2 2HB GLN 2 3.738 -3.650 -15.760 10 2HB GLN 2 3HB GLN 2 2.299 -4.282 -14.955 11 1HG GLN 2 2HG GLN 2 1.368 -4.941 -17.192 12 2HG GLN 2 3HG GLN 2 2.899 -4.466 -17.936 13 1HE2 GLN 2 2HE2 GLN 2 1.239 -7.125 -16.674 14 2HE2 GLN 2 1HE2 GLN 2 2.648 -8.140 -16.363 15 H GLU 3 H GLU 3 0.504 -2.734 -14.013 16 HA GLU 3 HA GLU 3 1.886 -0.781 -12.268 17 1HB GLU 3 2HB GLU 3 0.273 0.490 -13.732 18 2HB GLU 3 3HB GLU 3 -1.040 -0.492 -13.087 19 1HG GLU 3 2HG GLU 3 -1.072 1.587 -11.928 20 2HG GLU 3 3HG GLU 3 -0.477 0.395 -10.780 21 H SER 4 H SER 4 2.375 -2.718 -11.064 22 HA SER 4 HA SER 4 0.127 -3.762 -9.407 23 1HB SER 4 2HB SER 4 0.681 -6.023 -9.789 24 2HB SER 4 3HB SER 4 0.492 -5.266 -11.375 25 HG SER 4 HG SER 4 2.720 -5.213 -11.604 26 H CYS 5 H CYS 5 1.106 -5.360 -7.623 27 HA CYS 5 HA CYS 5 2.537 -3.488 -5.991 28 1HB CYS 5 2HB CYS 5 0.686 -5.086 -5.401 29 2HB CYS 5 3HB CYS 5 1.884 -6.385 -5.383 30 H LYS 6 H LYS 6 3.941 -5.757 -8.102 31 HA LYS 6 HA LYS 6 5.885 -6.953 -6.371 32 1HB LYS 6 2HB LYS 6 5.598 -6.751 -9.371 33 2HB LYS 6 3HB LYS 6 6.951 -7.619 -8.607 34 1HG LYS 6 2HG LYS 6 5.520 -9.116 -7.438 35 2HG LYS 6 3HG LYS 6 4.062 -8.186 -7.808 36 1HD LYS 6 2HD LYS 6 5.757 -9.578 -9.899 37 2HD LYS 6 3HD LYS 6 4.371 -10.320 -9.102 38 1HE LYS 6 2HE LYS 6 4.213 -7.711 -10.683 39 2HE LYS 6 3HE LYS 6 3.909 -9.299 -11.387 40 1HZ LYS 6 1HZ LYS 6 2.328 -8.156 -9.123 41 2HZ LYS 6 2HZ LYS 6 1.870 -8.193 -10.678 42 3HZ LYS 6 3HZ LYS 6 2.065 -9.590 -9.837 43 H GLY 7 H GLY 7 7.009 -5.712 -5.219 44 1HA GLY 7 2HA GLY 7 9.290 -4.718 -5.029 45 2HA GLY 7 3HA GLY 7 8.854 -3.632 -6.358 46 H ARG 8 H ARG 8 6.101 -3.872 -4.467 47 HA ARG 8 HA ARG 8 6.772 -1.422 -2.844 48 1HB ARG 8 2HB ARG 8 4.364 -1.926 -4.648 49 2HB ARG 8 3HB ARG 8 4.586 -0.524 -3.598 50 1HG ARG 8 2HG ARG 8 6.723 0.000 -4.803 51 2HG ARG 8 3HG ARG 8 6.337 -1.279 -5.965 52 1HD ARG 8 2HD ARG 8 4.521 1.095 -5.380 53 2HD ARG 8 3HD ARG 8 5.763 1.039 -6.649 54 HE ARG 8 HE ARG 8 4.045 -1.223 -6.942 55 1HH1 ARG 8 1HH1 ARG 8 3.994 2.263 -7.628 56 2HH1 ARG 8 2HH1 ARG 8 2.868 1.971 -8.964 57 1HH2 ARG 8 1HH2 ARG 8 2.686 -1.331 -8.695 58 2HH2 ARG 8 2HH2 ARG 8 2.172 0.188 -9.458 59 H CYS 9 H CYS 9 4.767 -4.335 -2.884 60 HA CYS 9 HA CYS 9 3.003 -3.896 -0.896 61 1HB CYS 9 2HB CYS 9 4.628 -6.435 -0.827 62 2HB CYS 9 3HB CYS 9 2.898 -6.190 -0.535 63 H THR 10 H THR 10 2.884 -3.351 1.131 64 HA THR 10 HA THR 10 3.298 -2.713 3.209 65 HB THR 10 HB THR 10 5.540 -4.702 3.619 66 HG1 THR 10 1HG THR 10 4.043 -5.896 2.524 67 1HG2 THR 10 1HG2 THR 10 4.844 -3.423 5.606 68 2HG2 THR 10 2HG2 THR 10 3.145 -3.826 5.306 69 3HG2 THR 10 3HG2 THR 10 4.305 -5.095 5.762 70 H GLU 11 H GLU 11 4.990 -1.498 0.972 71 HA GLU 11 HA GLU 11 7.527 -0.771 2.034 72 1HB GLU 11 2HB GLU 11 7.534 1.010 0.415 73 2HB GLU 11 3HB GLU 11 6.956 -0.478 -0.313 74 1HG GLU 11 2HG GLU 11 4.563 0.419 -0.033 75 2HG GLU 11 3HG GLU 11 5.290 1.923 0.563 76 H GLY 12 H GLY 12 4.405 0.453 2.898 77 1HA GLY 12 2HA GLY 12 4.227 1.782 5.013 78 2HA GLY 12 3HA GLY 12 5.554 2.786 4.410 79 H PHE 13 H PHE 13 3.096 3.904 5.134 80 HA PHE 13 HA PHE 13 1.299 4.155 2.900 81 1HB PHE 13 2HB PHE 13 0.368 4.394 5.007 82 2HB PHE 13 3HB PHE 13 1.594 5.560 5.539 83 HD1 PHE 13 1HD PHE 13 -0.981 5.213 2.747 84 HD2 PHE 13 2HD PHE 13 0.904 7.756 5.705 85 HE1 PHE 13 1HE PHE 13 -2.547 7.043 2.200 86 HE2 PHE 13 2HE PHE 13 -0.615 9.613 5.071 87 HZ PHE 13 HZ PHE 13 -2.334 9.258 3.320 88 H ASN 14 H ASN 14 1.368 5.273 1.182 89 HA ASN 14 HA ASN 14 2.617 7.945 0.986 90 1HB ASN 14 2HB ASN 14 3.610 5.438 -0.399 91 2HB ASN 14 3HB ASN 14 3.622 6.970 -1.283 92 1HD2 ASN 14 2HD2 ASN 14 4.641 8.856 -0.243 93 2HD2 ASN 14 1HD2 ASN 14 6.115 8.536 0.697 94 H VAL 15 H VAL 15 0.326 8.497 0.937 95 HA VAL 15 HA VAL 15 -1.418 7.627 -1.144 96 HB VAL 15 HB VAL 15 -1.814 8.937 1.087 97 1HG1 VAL 15 1HG1 VAL 15 -2.147 11.238 -0.821 98 2HG1 VAL 15 2HG1 VAL 15 -2.550 11.166 0.909 99 3HG1 VAL 15 3HG1 VAL 15 -0.855 11.083 0.400 100 1HG2 VAL 15 1HG2 VAL 15 -3.497 7.762 -0.155 101 2HG2 VAL 15 2HG2 VAL 15 -4.107 9.318 0.413 102 3HG2 VAL 15 3HG2 VAL 15 -3.646 9.125 -1.298 103 H ASP 16 H ASP 16 1.270 9.666 -1.357 104 HA ASP 16 HA ASP 16 0.536 11.214 -3.696 105 1HB ASP 16 2HB ASP 16 2.850 11.942 -3.592 106 2HB ASP 16 3HB ASP 16 2.117 12.002 -1.987 107 H LYS 17 H LYS 17 1.273 7.908 -3.408 108 HA LYS 17 HA LYS 17 2.479 7.787 -6.157 109 1HB LYS 17 2HB LYS 17 2.714 5.791 -3.871 110 2HB LYS 17 3HB LYS 17 3.374 5.585 -5.505 111 1HG LYS 17 2HG LYS 17 4.557 7.877 -5.098 112 2HG LYS 17 3HG LYS 17 4.223 7.573 -3.386 113 1HD LYS 17 2HD LYS 17 5.858 5.868 -5.309 114 2HD LYS 17 3HD LYS 17 6.470 6.854 -3.969 115 1HE LYS 17 2HE LYS 17 5.296 5.369 -2.348 116 2HE LYS 17 3HE LYS 17 4.698 4.381 -3.695 117 1HZ LYS 17 1HZ LYS 17 7.054 3.956 -4.285 118 2HZ LYS 17 2HZ LYS 17 7.547 4.757 -2.946 119 3HZ LYS 17 3HZ LYS 17 6.679 3.374 -2.812 120 H LYS 18 H LYS 18 2.080 5.658 -7.269 121 HA LYS 18 HA LYS 18 -0.725 5.772 -7.993 122 1HB LYS 18 2HB LYS 18 1.755 4.517 -9.135 123 2HB LYS 18 3HB LYS 18 0.177 3.958 -9.706 124 1HG LYS 18 2HG LYS 18 0.989 5.682 -11.170 125 2HG LYS 18 3HG LYS 18 -0.449 6.261 -10.311 126 1HD LYS 18 2HD LYS 18 1.030 7.501 -8.723 127 2HD LYS 18 3HD LYS 18 2.449 6.980 -9.643 128 1HE LYS 18 2HE LYS 18 0.133 8.634 -10.758 129 2HE LYS 18 3HE LYS 18 1.644 9.313 -10.149 130 1HZ LYS 18 1HZ LYS 18 1.430 7.472 -12.472 131 2HZ LYS 18 2HZ LYS 18 1.724 9.074 -12.548 132 3HZ LYS 18 3HZ LYS 18 2.833 8.080 -11.885 133 H CYS 19 H CYS 19 0.783 3.794 -5.756 134 HA CYS 19 HA CYS 19 -1.765 2.363 -5.414 135 1HB CYS 19 2HB CYS 19 -0.895 0.253 -5.034 136 2HB CYS 19 3HB CYS 19 -0.162 0.729 -6.567 137 H GLN 20 H GLN 20 -2.228 1.974 -3.311 138 HA GLN 20 HA GLN 20 -0.331 2.963 -1.207 139 1HB GLN 20 2HB GLN 20 -3.365 2.867 -1.290 140 2HB GLN 20 3HB GLN 20 -2.439 3.016 0.208 141 1HG GLN 20 2HG GLN 20 -3.123 5.218 -0.519 142 2HG GLN 20 3HG GLN 20 -1.362 5.062 -0.520 143 1HE2 GLN 20 2HE2 GLN 20 -0.365 5.988 -2.391 144 2HE2 GLN 20 1HE2 GLN 20 -1.225 6.166 -3.898 145 H CYS 21 H CYS 21 0.661 0.959 -2.005 146 HA CYS 21 HA CYS 21 -0.408 -1.672 -1.450 147 1HB CYS 21 2HB CYS 21 2.364 -0.504 -2.050 148 2HB CYS 21 3HB CYS 21 2.046 -2.219 -1.906 149 H ASP 22 H ASP 22 -0.827 -0.251 0.906 150 HA ASP 22 HA ASP 22 1.115 -1.339 2.886 151 1HB ASP 22 2HB ASP 22 1.449 0.867 3.836 152 2HB ASP 22 3HB ASP 22 1.853 0.909 2.119 153 H GLU 23 H GLU 23 0.483 -0.517 5.130 154 HA GLU 23 HA GLU 23 -1.740 -1.971 5.994 155 1HB GLU 23 2HB GLU 23 -0.241 0.214 7.487 156 2HB GLU 23 3HB GLU 23 -1.129 -1.136 8.196 157 1HG GLU 23 2HG GLU 23 0.511 -2.725 7.207 158 2HG GLU 23 3HG GLU 23 1.412 -1.377 6.512 159 H LEU 24 H LEU 24 -1.823 1.372 4.938 160 HA LEU 24 HA LEU 24 -4.275 1.948 6.586 161 1HB LEU 24 2HB LEU 24 -2.210 3.830 5.406 162 2HB LEU 24 3HB LEU 24 -3.625 4.302 6.340 163 HG LEU 24 HG LEU 24 -1.265 2.682 7.392 164 1HD1 LEU 24 1HD1 LEU 24 -0.803 4.681 8.725 165 2HD1 LEU 24 2HD1 LEU 24 -0.805 5.086 7.003 166 3HD1 LEU 24 3HD1 LEU 24 -2.202 5.515 8.010 167 1HD2 LEU 24 1HD2 LEU 24 -2.316 3.025 9.627 168 2HD2 LEU 24 2HD2 LEU 24 -3.759 3.696 8.833 169 3HD2 LEU 24 3HD2 LEU 24 -3.301 1.996 8.587 170 H CYS 25 H CYS 25 -3.490 1.187 3.370 171 HA CYS 25 HA CYS 25 -4.989 3.121 1.976 172 1HB CYS 25 2HB CYS 25 -4.893 1.735 0.150 173 2HB CYS 25 3HB CYS 25 -3.468 1.291 1.111 174 H SER 26 H SER 26 -6.255 0.299 3.697 175 HA SER 26 HA SER 26 -8.870 0.223 2.616 176 1HB SER 26 2HB SER 26 -7.877 -0.592 5.365 177 2HB SER 26 3HB SER 26 -9.408 -1.111 4.626 178 HG SER 26 HG SER 26 -7.712 -2.648 4.339 179 H TYR 27 H TYR 27 -7.570 2.661 4.599 180 HA TYR 27 HA TYR 27 -10.243 3.634 5.502 181 1HB TYR 27 2HB TYR 27 -8.883 3.872 7.294 182 2HB TYR 27 3HB TYR 27 -7.420 3.986 6.351 183 HD1 TYR 27 1HD TYR 27 -10.500 6.033 7.126 184 HD2 TYR 27 2HD TYR 27 -6.280 5.977 6.222 185 HE1 TYR 27 1HE TYR 27 -10.381 8.494 7.502 186 HE2 TYR 27 2HE TYR 27 -6.160 8.424 6.603 187 HH TYR 27 HH TYR 27 -9.047 10.357 7.529 188 H TYR 28 H TYR 28 -7.467 4.609 3.418 189 HA TYR 28 HA TYR 28 -8.771 6.993 2.410 190 1HB TYR 28 2HB TYR 28 -6.326 5.382 1.596 191 2HB TYR 28 3HB TYR 28 -6.889 6.766 0.658 192 HD1 TYR 28 1HD TYR 28 -5.097 5.772 3.677 193 HD2 TYR 28 2HD TYR 28 -7.073 9.030 1.646 194 HE1 TYR 28 1HE TYR 28 -3.981 7.397 5.190 195 HE2 TYR 28 2HE TYR 28 -5.947 10.656 3.161 196 HH TYR 28 HH TYR 28 -3.724 9.606 5.769 197 H GLN 29 H GLN 29 -8.935 3.658 1.417 198 HA GLN 29 HA GLN 29 -9.976 2.514 -0.174 199 1HB GLN 29 2HB GLN 29 -11.452 4.926 -1.228 200 2HB GLN 29 3HB GLN 29 -11.894 3.227 -1.295 201 1HG GLN 29 2HG GLN 29 -11.990 5.079 1.104 202 2HG GLN 29 3HG GLN 29 -13.339 4.292 0.285 203 1HE2 GLN 29 2HE2 GLN 29 -11.755 4.188 3.122 204 2HE2 GLN 29 1HE2 GLN 29 -11.754 2.447 3.428 205 H SER 30 H SER 30 -7.685 4.732 -0.867 206 HA SER 30 HA SER 30 -7.703 4.809 -3.748 207 1HB SER 30 2HB SER 30 -5.359 5.359 -1.881 208 2HB SER 30 3HB SER 30 -5.647 6.031 -3.501 209 HG SER 30 HG SER 30 -7.532 7.057 -2.610 210 H CYS 31 H CYS 31 -7.048 2.197 -1.902 211 HA CYS 31 HA CYS 31 -4.520 1.287 -2.307 212 1HB CYS 31 2HB CYS 31 -6.727 0.395 -1.013 213 2HB CYS 31 3HB CYS 31 -6.682 -0.754 -2.367 214 H CYS 32 H CYS 32 -3.652 -0.638 -3.349 215 HA CYS 32 HA CYS 32 -3.708 -0.667 -6.199 216 1HB CYS 32 2HB CYS 32 -2.782 -3.101 -5.750 217 2HB CYS 32 3HB CYS 32 -1.801 -1.671 -5.481 218 H THR 33 H THR 33 -4.764 -1.908 -7.698 219 HA THR 33 HA THR 33 -7.505 -2.311 -7.217 220 HB THR 33 HB THR 33 -7.535 -3.233 -9.559 221 HG1 THR 33 1HG THR 33 -5.577 -3.199 -10.673 222 1HG2 THR 33 1HG2 THR 33 -7.654 -0.786 -9.117 223 2HG2 THR 33 2HG2 THR 33 -5.882 -0.686 -9.222 224 3HG2 THR 33 3HG2 THR 33 -6.838 -1.163 -10.642 225 H ASP 34 H ASP 34 -5.052 -4.607 -6.641 226 HA ASP 34 HA ASP 34 -7.102 -6.703 -6.144 227 1HB ASP 34 2HB ASP 34 -5.908 -7.032 -8.357 228 2HB ASP 34 3HB ASP 34 -4.404 -7.229 -7.448 229 H TYR 35 H TYR 35 -5.748 -4.772 -4.393 230 HA TYR 35 HA TYR 35 -3.566 -5.361 -2.989 231 1HB TYR 35 2HB TYR 35 -4.871 -3.447 -2.429 232 2HB TYR 35 3HB TYR 35 -6.276 -4.427 -2.033 233 HD1 TYR 35 1HD TYR 35 -2.930 -3.301 -0.771 234 HD2 TYR 35 2HD TYR 35 -6.647 -5.317 0.148 235 HE1 TYR 35 1HE TYR 35 -2.507 -2.985 1.631 236 HE2 TYR 35 2HE TYR 35 -6.200 -4.999 2.575 237 HH TYR 35 HH TYR 35 -3.388 -3.125 3.740 238 H THR 36 H THR 36 -6.657 -7.007 -2.091 239 HA THR 36 HA THR 36 -5.531 -8.385 0.084 240 HB THR 36 HB THR 36 -7.889 -9.547 -1.387 241 HG1 THR 36 1HG THR 36 -9.177 -7.921 -0.528 242 1HG2 THR 36 1HG2 THR 36 -7.272 -10.534 0.793 243 2HG2 THR 36 2HG2 THR 36 -7.263 -8.927 1.546 244 3HG2 THR 36 3HG2 THR 36 -8.786 -9.640 0.960 245 H ALA 37 H ALA 37 -4.956 -9.110 -3.208 246 HA ALA 37 HA ALA 37 -3.767 -11.732 -2.377 247 1HB ALA 37 1HB ALA 37 -5.653 -12.114 -3.890 248 2HB ALA 37 2HB ALA 37 -4.945 -10.999 -5.082 249 3HB ALA 37 3HB ALA 37 -4.116 -12.518 -4.680 250 H GLU 38 H GLU 38 -3.338 -8.820 -4.457 251 HA GLU 38 HA GLU 38 -0.604 -9.574 -5.175 252 1HB GLU 38 2HB GLU 38 -2.521 -7.378 -5.816 253 2HB GLU 38 3HB GLU 38 -0.831 -6.891 -5.807 254 1HG GLU 38 2HG GLU 38 -1.853 -9.276 -7.382 255 2HG GLU 38 3HG GLU 38 -1.727 -7.642 -8.031 256 H CYS 39 H CYS 39 -1.995 -7.408 -2.688 257 HA CYS 39 HA CYS 39 0.777 -6.519 -2.037 258 1HB CYS 39 2HB CYS 39 -1.683 -4.969 -1.373 259 2HB CYS 39 3HB CYS 39 -0.047 -4.375 -1.545 260 H LYS 40 H LYS 40 -1.992 -7.961 -0.591 261 HA LYS 40 HA LYS 40 -2.530 -7.347 1.766 262 1HB LYS 40 2HB LYS 40 -3.066 -9.526 0.727 263 2HB LYS 40 3HB LYS 40 -1.600 -10.195 1.445 264 1HG LYS 40 2HG LYS 40 -2.543 -9.290 3.716 265 2HG LYS 40 3HG LYS 40 -4.066 -9.070 2.844 266 1HD LYS 40 2HD LYS 40 -2.540 -11.681 3.263 267 2HD LYS 40 3HD LYS 40 -4.007 -11.169 4.111 268 1HE LYS 40 2HE LYS 40 -5.244 -11.163 1.947 269 2HE LYS 40 3HE LYS 40 -3.786 -11.723 1.123 270 1HZ LYS 40 1HZ LYS 40 -5.250 -13.572 1.656 271 2HZ LYS 40 2HZ LYS 40 -3.861 -13.737 2.495 272 3HZ LYS 40 3HZ LYS 40 -5.218 -13.225 3.250 273 HA PRO 41 HA PRO 41 1.252 -6.886 4.371 274 1HB PRO 41 2HB PRO 41 0.817 -4.384 5.230 275 2HB PRO 41 3HB PRO 41 1.284 -4.647 3.525 276 1HG PRO 41 2HG PRO 41 -1.488 -4.182 4.626 277 2HG PRO 41 3HG PRO 41 -0.685 -3.414 3.215 278 1HD PRO 41 2HD PRO 41 -2.370 -5.654 3.113 279 2HD PRO 41 3HD PRO 41 -1.191 -5.195 1.848 280 H GLN 42 H GLN 42 0.819 -5.719 6.824 281 HA GLN 42 HA GLN 42 -0.941 -7.406 8.324 282 1HB GLN 42 2HB GLN 42 0.946 -6.192 9.324 283 2HB GLN 42 3HB GLN 42 0.196 -4.641 8.918 284 1HG GLN 42 2HG GLN 42 -0.086 -5.179 11.303 285 2HG GLN 42 3HG GLN 42 -1.627 -5.045 10.471 286 1HE2 GLN 42 2HE2 GLN 42 -2.832 -6.350 11.877 287 2HE2 GLN 42 1HE2 GLN 42 -2.527 -8.086 12.049 288 H VAL 43 H VAL 43 -3.110 -7.347 8.596 289 HA VAL 43 HA VAL 43 -4.723 -5.030 7.646 290 HB VAL 43 HB VAL 43 -4.184 -6.608 5.787 291 1HG1 VAL 43 1HG1 VAL 43 -4.226 -8.751 7.005 292 2HG1 VAL 43 2HG1 VAL 43 -5.980 -8.587 7.245 293 3HG1 VAL 43 3HG1 VAL 43 -5.311 -8.760 5.611 294 1HG2 VAL 43 1HG2 VAL 43 -6.218 -5.162 5.748 295 2HG2 VAL 43 2HG2 VAL 43 -6.292 -6.621 4.754 296 3HG2 VAL 43 3HG2 VAL 43 -7.169 -6.577 6.283 297 H THR 44 H THR 44 -7.184 -5.615 7.954 298 HA THR 44 HA THR 44 -7.654 -5.599 10.711 299 HB THR 44 HB THR 44 -10.105 -6.033 9.983 300 HG1 THR 44 1HG THR 44 -10.455 -5.712 7.792 301 1HG2 THR 44 1HG2 THR 44 -9.251 -3.803 10.491 302 2HG2 THR 44 2HG2 THR 44 -8.544 -3.666 8.862 303 3HG2 THR 44 3HG2 THR 44 -10.309 -3.745 9.077 304 H ARG 45 H ARG 45 -8.223 -6.947 12.231 305 HA ARG 45 HA ARG 45 -8.340 -9.886 11.760 306 1HB ARG 45 2HB ARG 45 -6.914 -8.863 13.549 307 2HB ARG 45 3HB ARG 45 -8.374 -8.251 14.338 308 1HG ARG 45 2HG ARG 45 -9.162 -10.578 14.697 309 2HG ARG 45 3HG ARG 45 -7.758 -11.195 13.803 310 1HD ARG 45 2HD ARG 45 -7.344 -11.440 16.176 311 2HD ARG 45 3HD ARG 45 -6.247 -10.238 15.513 312 HE ARG 45 HE ARG 45 -7.207 -8.604 16.839 313 1HH1 ARG 45 2HH2 ARG 45 -9.373 -11.363 16.964 314 2HH1 ARG 45 1HH2 ARG 45 -10.320 -10.668 18.250 315 1HH2 ARG 45 1HH1 ARG 45 -8.450 -7.801 18.495 316 2HH2 ARG 45 2HH1 ARG 45 -9.812 -8.707 19.078 317 H GLY 46 H GLY 46 -10.463 -7.222 12.568 318 1HA GLY 46 2HA GLY 46 -12.853 -8.279 11.748 319 2HA GLY 46 3HA GLY 46 -12.749 -8.841 13.422 320 H ASP 47 H ASP 47 -11.558 -6.636 14.657 321 HA ASP 47 HA ASP 47 -13.201 -4.236 14.020 322 1HB ASP 47 2HB ASP 47 -14.286 -5.722 15.780 323 2HB ASP 47 3HB ASP 47 -12.883 -5.431 16.804 324 H VAL 48 H VAL 48 -10.266 -5.254 14.160 325 HA VAL 48 HA VAL 48 -8.944 -2.716 14.759 326 HB VAL 48 HB VAL 48 -7.206 -3.738 16.193 327 1HG1 VAL 48 1HG1 VAL 48 -8.365 -3.727 18.292 328 2HG1 VAL 48 2HG1 VAL 48 -9.084 -2.497 17.240 329 3HG1 VAL 48 3HG1 VAL 48 -9.923 -4.042 17.508 330 1HG2 VAL 48 1HG2 VAL 48 -7.479 -6.128 15.613 331 2HG2 VAL 48 2HG2 VAL 48 -7.556 -5.856 17.356 332 3HG2 VAL 48 3HG2 VAL 48 -9.053 -6.151 16.443 333 H PHE 49 H PHE 49 -6.602 -2.851 14.039 334 HA PHE 49 HA PHE 49 -6.008 -5.132 12.204 335 1HB PHE 49 2HB PHE 49 -5.400 -3.726 10.413 336 2HB PHE 49 3HB PHE 49 -6.987 -3.176 10.942 337 HD1 PHE 49 1HD PHE 49 -3.462 -2.294 10.509 338 HD2 PHE 49 2HD PHE 49 -7.202 -1.017 12.244 339 HE1 PHE 49 1HE PHE 49 -2.565 0.008 10.755 340 HE2 PHE 49 2HE PHE 49 -6.293 1.281 12.500 341 HZ PHE 49 HZ PHE 49 -3.975 1.796 11.756 342 H THR 50 H THR 50 -4.804 -3.086 14.684 343 HA THR 50 HA THR 50 -1.997 -3.132 13.985 344 HB THR 50 HB THR 50 -1.743 -2.506 16.442 345 HG1 THR 50 1HG THR 50 -3.635 -1.956 17.513 346 1HG2 THR 50 1HG2 THR 50 -2.673 -0.252 16.144 347 2HG2 THR 50 2HG2 THR 50 -1.893 -0.802 14.653 348 3HG2 THR 50 3HG2 THR 50 -3.665 -0.813 14.779 349 H MET 51 H MET 51 -0.324 -4.207 15.150 350 HA MET 51 HA MET 51 -0.890 -6.640 16.693 351 1HB MET 51 2HB MET 51 -1.042 -7.361 14.298 352 2HB MET 51 3HB MET 51 0.603 -6.774 14.034 353 1HG MET 51 2HG MET 51 0.633 -9.163 14.349 354 2HG MET 51 3HG MET 51 1.427 -8.399 15.734 355 1HE MET 51 1HE MET 51 1.353 -10.620 17.099 356 2HE MET 51 2HE MET 51 -0.108 -11.602 17.348 357 3HE MET 51 3HE MET 51 0.592 -11.450 15.721 Start of MODEL 12 1 1H ASP 1 1H ASP 1 2.775 -2.769 -21.013 2 2H ASP 1 2H ASP 1 1.249 -2.431 -20.530 3 3H ASP 1 3H ASP 1 2.505 -2.181 -19.510 4 HA ASP 1 HA ASP 1 1.596 -4.790 -20.525 5 1HB ASP 1 2HB ASP 1 4.024 -4.732 -20.203 6 2HB ASP 1 3HB ASP 1 3.816 -4.176 -18.536 7 H GLN 2 H GLN 2 2.339 -4.127 -17.136 8 HA GLN 2 HA GLN 2 -0.349 -3.384 -16.371 9 1HB GLN 2 2HB GLN 2 -0.728 -5.358 -14.874 10 2HB GLN 2 3HB GLN 2 -0.882 -5.677 -16.581 11 1HG GLN 2 2HG GLN 2 0.197 -7.528 -15.441 12 2HG GLN 2 3HG GLN 2 1.253 -6.824 -16.644 13 1HE2 GLN 2 2HE2 GLN 2 3.368 -6.612 -15.957 14 2HE2 GLN 2 1HE2 GLN 2 3.838 -6.425 -14.256 15 H GLU 3 H GLU 3 -0.408 -3.601 -13.770 16 HA GLU 3 HA GLU 3 2.214 -2.873 -12.585 17 1HB GLU 3 2HB GLU 3 1.134 -0.757 -13.250 18 2HB GLU 3 3HB GLU 3 -0.339 -1.216 -12.382 19 1HG GLU 3 2HG GLU 3 0.970 0.405 -11.106 20 2HG GLU 3 3HG GLU 3 0.846 -1.119 -10.239 21 H SER 4 H SER 4 2.514 -3.764 -10.636 22 HA SER 4 HA SER 4 0.322 -4.837 -8.977 23 1HB SER 4 2HB SER 4 2.461 -6.639 -10.235 24 2HB SER 4 3HB SER 4 1.342 -7.115 -8.943 25 HG SER 4 HG SER 4 0.810 -6.577 -11.656 26 H CYS 5 H CYS 5 0.994 -5.474 -6.910 27 HA CYS 5 HA CYS 5 3.141 -3.882 -5.834 28 1HB CYS 5 2HB CYS 5 0.895 -4.277 -4.842 29 2HB CYS 5 3HB CYS 5 1.329 -5.967 -4.571 30 H LYS 6 H LYS 6 3.278 -7.125 -7.011 31 HA LYS 6 HA LYS 6 4.743 -8.343 -4.884 32 1HB LYS 6 2HB LYS 6 4.475 -9.165 -7.792 33 2HB LYS 6 3HB LYS 6 5.201 -10.155 -6.506 34 1HG LYS 6 2HG LYS 6 3.039 -9.892 -5.196 35 2HG LYS 6 3HG LYS 6 2.312 -9.174 -6.639 36 1HD LYS 6 2HD LYS 6 3.521 -11.952 -6.433 37 2HD LYS 6 3HD LYS 6 1.808 -11.587 -6.335 38 1HE LYS 6 2HE LYS 6 3.571 -11.074 -8.780 39 2HE LYS 6 3HE LYS 6 2.545 -12.489 -8.544 40 1HZ LYS 6 1HZ LYS 6 1.356 -10.905 -9.864 41 2HZ LYS 6 2HZ LYS 6 0.608 -10.962 -8.408 42 3HZ LYS 6 3HZ LYS 6 1.571 -9.700 -8.785 43 H GLY 7 H GLY 7 6.426 -7.458 -4.179 44 1HA GLY 7 2HA GLY 7 8.976 -7.476 -4.494 45 2HA GLY 7 3HA GLY 7 8.652 -6.479 -5.921 46 H ARG 8 H ARG 8 6.347 -5.331 -3.895 47 HA ARG 8 HA ARG 8 8.136 -3.249 -2.660 48 1HB ARG 8 2HB ARG 8 5.532 -2.768 -4.156 49 2HB ARG 8 3HB ARG 8 6.623 -1.558 -3.476 50 1HG ARG 8 2HG ARG 8 8.407 -2.418 -5.092 51 2HG ARG 8 3HG ARG 8 7.109 -3.325 -5.889 52 1HD ARG 8 2HD ARG 8 7.252 -0.309 -5.488 53 2HD ARG 8 3HD ARG 8 7.518 -1.174 -7.004 54 HE ARG 8 HE ARG 8 4.924 -0.775 -5.579 55 1HH1 ARG 8 1HH1 ARG 8 6.471 -1.892 -8.573 56 2HH1 ARG 8 2HH1 ARG 8 4.901 -1.875 -9.389 57 1HH2 ARG 8 1HH2 ARG 8 3.028 -0.887 -6.824 58 2HH2 ARG 8 2HH2 ARG 8 3.200 -1.416 -8.504 59 H CYS 9 H CYS 9 5.036 -4.966 -2.302 60 HA CYS 9 HA CYS 9 3.600 -3.552 -0.672 61 1HB CYS 9 2HB CYS 9 4.127 -6.459 -0.015 62 2HB CYS 9 3HB CYS 9 2.615 -5.551 0.133 63 H THR 10 H THR 10 3.118 -3.088 1.353 64 HA THR 10 HA THR 10 3.294 -2.551 3.528 65 HB THR 10 HB THR 10 5.460 -4.530 4.163 66 HG1 THR 10 1HG THR 10 4.043 -6.192 4.104 67 1HG2 THR 10 1HG2 THR 10 4.344 -3.209 5.983 68 2HG2 THR 10 2HG2 THR 10 2.777 -3.862 5.470 69 3HG2 THR 10 3HG2 THR 10 4.027 -4.942 6.128 70 H GLU 11 H GLU 11 5.072 -1.351 1.509 71 HA GLU 11 HA GLU 11 7.601 -0.617 2.653 72 1HB GLU 11 2HB GLU 11 7.553 1.115 0.852 73 2HB GLU 11 3HB GLU 11 7.380 -0.540 0.297 74 1HG GLU 11 2HG GLU 11 4.918 -0.196 0.033 75 2HG GLU 11 3HG GLU 11 5.093 1.460 0.633 76 H GLY 12 H GLY 12 4.538 0.499 3.574 77 1HA GLY 12 2HA GLY 12 4.089 2.201 5.168 78 2HA GLY 12 3HA GLY 12 5.551 3.069 4.734 79 H PHE 13 H PHE 13 2.502 3.530 4.745 80 HA PHE 13 HA PHE 13 1.592 3.950 2.095 81 1HB PHE 13 2HB PHE 13 0.101 3.542 3.938 82 2HB PHE 13 3HB PHE 13 0.673 4.976 4.798 83 HD1 PHE 13 1HD PHE 13 -1.456 3.662 2.074 84 HD2 PHE 13 2HD PHE 13 -0.152 7.199 4.183 85 HE1 PHE 13 1HE PHE 13 -3.442 4.901 1.247 86 HE2 PHE 13 2HE PHE 13 -2.083 8.449 3.268 87 HZ PHE 13 HZ PHE 13 -3.726 7.296 1.811 88 H ASN 14 H ASN 14 1.374 5.647 0.783 89 HA ASN 14 HA ASN 14 1.733 8.408 1.628 90 1HB ASN 14 2HB ASN 14 4.060 7.763 1.111 91 2HB ASN 14 3HB ASN 14 3.576 7.205 -0.494 92 1HD2 ASN 14 2HD2 ASN 14 5.561 9.251 0.126 93 2HD2 ASN 14 1HD2 ASN 14 4.943 10.748 -0.574 94 H VAL 15 H VAL 15 -0.122 9.240 0.862 95 HA VAL 15 HA VAL 15 -1.636 7.836 -1.121 96 HB VAL 15 HB VAL 15 -2.384 9.093 0.989 97 1HG1 VAL 15 1HG1 VAL 15 -2.827 11.387 -0.913 98 2HG1 VAL 15 2HG1 VAL 15 -3.358 11.229 0.780 99 3HG1 VAL 15 3HG1 VAL 15 -1.629 11.344 0.410 100 1HG2 VAL 15 1HG2 VAL 15 -3.799 7.763 -0.479 101 2HG2 VAL 15 2HG2 VAL 15 -4.643 9.163 0.195 102 3HG2 VAL 15 3HG2 VAL 15 -4.097 9.192 -1.499 103 H ASP 16 H ASP 16 0.754 10.157 -1.657 104 HA ASP 16 HA ASP 16 -0.369 11.301 -4.114 105 1HB ASP 16 2HB ASP 16 1.260 12.461 -2.614 106 2HB ASP 16 3HB ASP 16 2.477 11.254 -3.066 107 H LYS 17 H LYS 17 1.296 8.357 -3.308 108 HA LYS 17 HA LYS 17 2.642 7.926 -5.847 109 1HB LYS 17 2HB LYS 17 1.984 5.985 -3.586 110 2HB LYS 17 3HB LYS 17 3.122 5.670 -4.903 111 1HG LYS 17 2HG LYS 17 3.420 7.827 -2.772 112 2HG LYS 17 3HG LYS 17 4.267 6.274 -2.828 113 1HD LYS 17 2HD LYS 17 5.361 6.953 -4.958 114 2HD LYS 17 3HD LYS 17 4.545 8.536 -4.862 115 1HE LYS 17 2HE LYS 17 5.622 8.980 -2.689 116 2HE LYS 17 3HE LYS 17 6.434 7.403 -2.754 117 1HZ LYS 17 1HZ LYS 17 7.600 8.165 -4.755 118 2HZ LYS 17 2HZ LYS 17 6.847 9.616 -4.701 119 3HZ LYS 17 3HZ LYS 17 7.893 9.191 -3.523 120 H LYS 18 H LYS 18 2.362 5.899 -7.102 121 HA LYS 18 HA LYS 18 -0.278 5.965 -8.338 122 1HB LYS 18 2HB LYS 18 2.384 4.709 -8.973 123 2HB LYS 18 3HB LYS 18 0.938 4.102 -9.792 124 1HG LYS 18 2HG LYS 18 1.968 5.794 -11.162 125 2HG LYS 18 3HG LYS 18 0.403 6.382 -10.575 126 1HD LYS 18 2HD LYS 18 1.613 7.701 -8.806 127 2HD LYS 18 3HD LYS 18 3.156 7.151 -9.497 128 1HE LYS 18 2HE LYS 18 2.551 8.188 -11.670 129 2HE LYS 18 3HE LYS 18 1.001 8.711 -10.997 130 1HZ LYS 18 1HZ LYS 18 3.667 9.614 -10.038 131 2HZ LYS 18 2HZ LYS 18 2.629 10.504 -10.927 132 3HZ LYS 18 3HZ LYS 18 2.236 10.087 -9.400 133 H CYS 19 H CYS 19 1.065 3.959 -5.942 134 HA CYS 19 HA CYS 19 -1.531 2.599 -5.674 135 1HB CYS 19 2HB CYS 19 -0.735 0.453 -5.340 136 2HB CYS 19 3HB CYS 19 0.050 0.943 -6.841 137 H GLN 20 H GLN 20 -2.022 2.226 -3.562 138 HA GLN 20 HA GLN 20 -0.153 3.274 -1.467 139 1HB GLN 20 2HB GLN 20 -3.180 3.073 -1.651 140 2HB GLN 20 3HB GLN 20 -2.332 3.281 -0.122 141 1HG GLN 20 2HG GLN 20 -3.012 5.453 -0.972 142 2HG GLN 20 3HG GLN 20 -1.260 5.329 -0.842 143 1HE2 GLN 20 2HE2 GLN 20 -0.277 6.445 -2.562 144 2HE2 GLN 20 1HE2 GLN 20 -0.983 6.498 -4.173 145 H CYS 21 H CYS 21 0.828 1.153 -2.273 146 HA CYS 21 HA CYS 21 -0.276 -1.393 -1.625 147 1HB CYS 21 2HB CYS 21 2.529 -0.391 -2.288 148 2HB CYS 21 3HB CYS 21 2.081 -2.079 -2.116 149 H ASP 22 H ASP 22 -0.562 0.004 0.759 150 HA ASP 22 HA ASP 22 1.139 -1.412 2.710 151 1HB ASP 22 2HB ASP 22 2.295 0.746 2.108 152 2HB ASP 22 3HB ASP 22 0.857 1.620 2.668 153 H GLU 23 H GLU 23 0.412 -0.972 4.950 154 HA GLU 23 HA GLU 23 -2.057 -2.078 5.343 155 1HB GLU 23 2HB GLU 23 -0.570 -0.360 7.360 156 2HB GLU 23 3HB GLU 23 -1.691 -1.684 7.693 157 1HG GLU 23 2HG GLU 23 -0.070 -3.240 6.501 158 2HG GLU 23 3HG GLU 23 1.083 -1.898 6.425 159 H LEU 24 H LEU 24 -1.517 1.470 5.372 160 HA LEU 24 HA LEU 24 -4.081 2.032 6.641 161 1HB LEU 24 2HB LEU 24 -2.155 3.859 5.159 162 2HB LEU 24 3HB LEU 24 -3.538 4.388 6.109 163 HG LEU 24 HG LEU 24 -1.054 2.992 7.184 164 1HD1 LEU 24 1HD1 LEU 24 -0.664 5.125 8.312 165 2HD1 LEU 24 2HD1 LEU 24 -0.803 5.393 6.568 166 3HD1 LEU 24 3HD1 LEU 24 -2.164 5.796 7.634 167 1HD2 LEU 24 1HD2 LEU 24 -2.956 2.268 8.541 168 2HD2 LEU 24 2HD2 LEU 24 -2.037 3.478 9.436 169 3HD2 LEU 24 3HD2 LEU 24 -3.563 3.936 8.646 170 H CYS 25 H CYS 25 -3.381 1.222 3.357 171 HA CYS 25 HA CYS 25 -5.038 3.108 2.053 172 1HB CYS 25 2HB CYS 25 -4.795 1.809 0.148 173 2HB CYS 25 3HB CYS 25 -3.316 1.547 1.082 174 H SER 26 H SER 26 -6.036 0.233 3.807 175 HA SER 26 HA SER 26 -8.642 -0.089 2.629 176 1HB SER 26 2HB SER 26 -9.083 -1.527 4.542 177 2HB SER 26 3HB SER 26 -7.495 -1.878 3.846 178 HG SER 26 HG SER 26 -7.421 -1.734 6.145 179 H TYR 27 H TYR 27 -7.441 2.308 4.779 180 HA TYR 27 HA TYR 27 -10.157 3.173 5.642 181 1HB TYR 27 2HB TYR 27 -8.789 3.426 7.444 182 2HB TYR 27 3HB TYR 27 -7.350 3.698 6.491 183 HD1 TYR 27 1HD TYR 27 -10.596 5.425 7.359 184 HD2 TYR 27 2HD TYR 27 -6.417 5.798 6.362 185 HE1 TYR 27 1HE TYR 27 -10.733 7.897 7.680 186 HE2 TYR 27 2HE TYR 27 -6.564 8.266 6.627 187 HH TYR 27 HH TYR 27 -7.910 10.047 7.174 188 H TYR 28 H TYR 28 -7.387 4.359 3.655 189 HA TYR 28 HA TYR 28 -8.774 6.731 2.765 190 1HB TYR 28 2HB TYR 28 -6.241 5.314 1.899 191 2HB TYR 28 3HB TYR 28 -6.838 6.755 1.079 192 HD1 TYR 28 1HD TYR 28 -5.174 5.517 4.100 193 HD2 TYR 28 2HD TYR 28 -6.930 8.947 2.164 194 HE1 TYR 28 1HE TYR 28 -3.928 7.019 5.640 195 HE2 TYR 28 2HE TYR 28 -5.675 10.454 3.706 196 HH TYR 28 HH TYR 28 -3.468 9.188 6.230 197 H GLN 29 H GLN 29 -8.971 3.482 1.578 198 HA GLN 29 HA GLN 29 -9.992 2.482 -0.135 199 1HB GLN 29 2HB GLN 29 -11.459 5.019 -0.884 200 2HB GLN 29 3HB GLN 29 -11.937 3.347 -1.139 201 1HG GLN 29 2HG GLN 29 -11.912 4.896 1.468 202 2HG GLN 29 3HG GLN 29 -13.311 4.260 0.601 203 1HE2 GLN 29 2HE2 GLN 29 -11.714 3.767 3.352 204 2HE2 GLN 29 1HE2 GLN 29 -11.724 2.004 3.453 205 H SER 30 H SER 30 -7.480 4.122 -0.600 206 HA SER 30 HA SER 30 -7.567 4.843 -3.455 207 1HB SER 30 2HB SER 30 -5.279 5.801 -2.795 208 2HB SER 30 3HB SER 30 -6.697 6.469 -1.955 209 HG SER 30 HG SER 30 -5.129 5.982 -0.439 210 H CYS 31 H CYS 31 -6.770 2.058 -1.812 211 HA CYS 31 HA CYS 31 -4.214 1.349 -2.500 212 1HB CYS 31 2HB CYS 31 -6.359 0.210 -1.139 213 2HB CYS 31 3HB CYS 31 -6.084 -0.915 -2.478 214 H CYS 32 H CYS 32 -3.410 -0.519 -3.678 215 HA CYS 32 HA CYS 32 -3.708 -0.512 -6.516 216 1HB CYS 32 2HB CYS 32 -2.700 -2.871 -6.293 217 2HB CYS 32 3HB CYS 32 -1.716 -1.535 -5.718 218 H THR 33 H THR 33 -4.812 -1.879 -7.926 219 HA THR 33 HA THR 33 -7.480 -2.180 -7.521 220 HB THR 33 HB THR 33 -5.907 -3.887 -9.477 221 HG1 THR 33 1HG THR 33 -5.908 -2.053 -10.788 222 1HG2 THR 33 1HG2 THR 33 -8.615 -2.485 -9.685 223 2HG2 THR 33 2HG2 THR 33 -7.788 -3.322 -11.019 224 3HG2 THR 33 3HG2 THR 33 -8.340 -4.241 -9.619 225 H ASP 34 H ASP 34 -5.134 -4.623 -6.652 226 HA ASP 34 HA ASP 34 -7.305 -6.489 -5.793 227 1HB ASP 34 2HB ASP 34 -4.779 -7.156 -7.352 228 2HB ASP 34 3HB ASP 34 -5.853 -8.356 -6.619 229 H TYR 35 H TYR 35 -5.648 -4.537 -4.203 230 HA TYR 35 HA TYR 35 -3.590 -5.318 -2.752 231 1HB TYR 35 2HB TYR 35 -4.813 -3.311 -2.209 232 2HB TYR 35 3HB TYR 35 -6.153 -4.260 -1.559 233 HD1 TYR 35 1HD TYR 35 -2.599 -3.240 -0.973 234 HD2 TYR 35 2HD TYR 35 -6.091 -5.167 0.686 235 HE1 TYR 35 1HE TYR 35 -1.530 -3.245 1.261 236 HE2 TYR 35 2HE TYR 35 -5.014 -5.149 2.933 237 HH TYR 35 HH TYR 35 -1.751 -3.775 3.469 238 H THR 36 H THR 36 -6.769 -6.640 -1.641 239 HA THR 36 HA THR 36 -5.586 -8.226 0.354 240 HB THR 36 HB THR 36 -8.250 -9.026 -0.788 241 HG1 THR 36 1HG THR 36 -9.188 -7.227 0.176 242 1HG2 THR 36 1HG2 THR 36 -7.479 -10.043 1.349 243 2HG2 THR 36 2HG2 THR 36 -7.228 -8.426 2.037 244 3HG2 THR 36 3HG2 THR 36 -8.867 -8.988 1.632 245 H ALA 37 H ALA 37 -5.429 -8.910 -2.949 246 HA ALA 37 HA ALA 37 -4.826 -11.798 -2.406 247 1HB ALA 37 1HB ALA 37 -6.845 -11.519 -3.781 248 2HB ALA 37 2HB ALA 37 -5.932 -10.524 -4.941 249 3HB ALA 37 3HB ALA 37 -5.521 -12.239 -4.720 250 H GLU 38 H GLU 38 -3.741 -8.827 -4.058 251 HA GLU 38 HA GLU 38 -1.247 -10.222 -4.965 252 1HB GLU 38 2HB GLU 38 -2.747 -7.837 -6.103 253 2HB GLU 38 3HB GLU 38 -1.241 -8.492 -6.751 254 1HG GLU 38 2HG GLU 38 -3.921 -9.938 -6.628 255 2HG GLU 38 3HG GLU 38 -3.177 -9.232 -8.055 256 H CYS 39 H CYS 39 -2.287 -7.645 -2.863 257 HA CYS 39 HA CYS 39 0.533 -6.723 -2.678 258 1HB CYS 39 2HB CYS 39 -1.678 -4.949 -1.875 259 2HB CYS 39 3HB CYS 39 -0.105 -4.494 -2.392 260 H LYS 40 H LYS 40 -1.644 -8.510 -1.103 261 HA LYS 40 HA LYS 40 -1.890 -7.461 1.444 262 1HB LYS 40 2HB LYS 40 -3.262 -9.222 0.479 263 2HB LYS 40 3HB LYS 40 -1.918 -10.369 0.581 264 1HG LYS 40 2HG LYS 40 -1.980 -10.345 3.000 265 2HG LYS 40 3HG LYS 40 -3.028 -8.909 3.020 266 1HD LYS 40 2HD LYS 40 -4.339 -10.888 3.562 267 2HD LYS 40 3HD LYS 40 -4.865 -10.181 2.033 268 1HE LYS 40 2HE LYS 40 -3.298 -11.926 0.898 269 2HE LYS 40 3HE LYS 40 -3.221 -12.709 2.482 270 1HZ LYS 40 1HZ LYS 40 -5.661 -12.185 0.871 271 2HZ LYS 40 2HZ LYS 40 -4.993 -13.655 1.132 272 3HZ LYS 40 3HZ LYS 40 -5.693 -12.856 2.375 273 HA PRO 41 HA PRO 41 2.270 -7.928 3.280 274 1HB PRO 41 2HB PRO 41 0.440 -7.871 5.696 275 2HB PRO 41 3HB PRO 41 2.028 -7.072 5.471 276 1HG PRO 41 2HG PRO 41 -0.280 -5.667 5.177 277 2HG PRO 41 3HG PRO 41 1.067 -5.428 4.015 278 1HD PRO 41 2HD PRO 41 -1.468 -6.985 3.598 279 2HD PRO 41 3HD PRO 41 -0.528 -5.981 2.471 280 H GLN 42 H GLN 42 3.289 -9.872 3.420 281 HA GLN 42 HA GLN 42 1.813 -12.284 3.270 282 1HB GLN 42 2HB GLN 42 4.779 -11.869 3.808 283 2HB GLN 42 3HB GLN 42 4.017 -13.414 3.386 284 1HG GLN 42 2HG GLN 42 3.193 -12.336 1.242 285 2HG GLN 42 3HG GLN 42 4.198 -10.932 1.628 286 1HE2 GLN 42 2HE2 GLN 42 6.633 -11.532 2.118 287 2HE2 GLN 42 1HE2 GLN 42 7.302 -12.817 1.111 288 H VAL 43 H VAL 43 1.146 -13.764 4.676 289 HA VAL 43 HA VAL 43 1.566 -13.509 7.572 290 HB VAL 43 HB VAL 43 0.183 -15.716 5.990 291 1HG1 VAL 43 1HG1 VAL 43 -0.875 -16.242 8.175 292 2HG1 VAL 43 2HG1 VAL 43 0.874 -16.456 8.254 293 3HG1 VAL 43 3HG1 VAL 43 0.129 -15.007 8.964 294 1HG2 VAL 43 1HG2 VAL 43 -1.914 -14.619 6.744 295 2HG2 VAL 43 2HG2 VAL 43 -0.966 -13.283 7.432 296 3HG2 VAL 43 3HG2 VAL 43 -0.986 -13.563 5.679 297 H THR 44 H THR 44 3.688 -13.795 8.045 298 HA THR 44 HA THR 44 5.461 -15.590 6.747 299 HB THR 44 HB THR 44 6.127 -13.564 8.002 300 HG1 THR 44 1HG THR 44 8.030 -14.507 8.728 301 1HG2 THR 44 1HG2 THR 44 5.880 -15.296 10.503 302 2HG2 THR 44 2HG2 THR 44 6.554 -13.658 10.393 303 3HG2 THR 44 3HG2 THR 44 4.826 -13.919 10.109 304 H ARG 45 H ARG 45 6.717 -17.277 7.692 305 HA ARG 45 HA ARG 45 5.377 -19.098 9.637 306 1HB ARG 45 2HB ARG 45 4.590 -19.745 7.410 307 2HB ARG 45 3HB ARG 45 6.236 -19.815 6.799 308 1HG ARG 45 2HG ARG 45 5.265 -22.040 7.162 309 2HG ARG 45 3HG ARG 45 6.723 -21.786 8.121 310 1HD ARG 45 2HD ARG 45 5.198 -21.254 10.114 311 2HD ARG 45 3HD ARG 45 3.833 -21.696 9.094 312 HE ARG 45 HE ARG 45 4.375 -23.939 9.340 313 1HH1 ARG 45 2HH2 ARG 45 7.160 -22.106 10.492 314 2HH1 ARG 45 1HH2 ARG 45 7.870 -23.521 11.227 315 1HH2 ARG 45 1HH1 ARG 45 5.386 -25.683 10.254 316 2HH2 ARG 45 2HH1 ARG 45 6.914 -25.488 11.060 317 H GLY 46 H GLY 46 8.271 -17.654 8.581 318 1HA GLY 46 2HA GLY 46 10.432 -17.797 9.305 319 2HA GLY 46 3HA GLY 46 9.846 -18.768 10.655 320 H ASP 47 H ASP 47 9.218 -20.177 7.571 321 HA ASP 47 HA ASP 47 11.650 -21.886 7.608 322 1HB ASP 47 2HB ASP 47 9.837 -22.796 9.142 323 2HB ASP 47 3HB ASP 47 8.810 -22.981 7.721 324 H VAL 48 H VAL 48 10.511 -19.840 5.731 325 HA VAL 48 HA VAL 48 10.474 -21.434 3.221 326 HB VAL 48 HB VAL 48 8.646 -20.032 2.319 327 1HG1 VAL 48 1HG1 VAL 48 8.204 -22.311 3.188 328 2HG1 VAL 48 2HG1 VAL 48 7.775 -21.615 4.766 329 3HG1 VAL 48 3HG1 VAL 48 6.805 -21.234 3.330 330 1HG2 VAL 48 1HG2 VAL 48 7.105 -18.837 3.806 331 2HG2 VAL 48 2HG2 VAL 48 8.157 -19.147 5.200 332 3HG2 VAL 48 3HG2 VAL 48 8.709 -18.104 3.870 333 H PHE 49 H PHE 49 11.177 -20.350 1.372 334 HA PHE 49 HA PHE 49 13.151 -18.279 1.801 335 1HB PHE 49 2HB PHE 49 13.342 -20.139 0.172 336 2HB PHE 49 3HB PHE 49 11.993 -19.470 -0.751 337 HD1 PHE 49 1HD PHE 49 12.411 -17.864 -2.465 338 HD2 PHE 49 2HD PHE 49 15.456 -18.683 0.480 339 HE1 PHE 49 1HE PHE 49 14.029 -16.485 -3.750 340 HE2 PHE 49 2HE PHE 49 17.070 -17.301 -0.807 341 HZ PHE 49 HZ PHE 49 16.359 -16.200 -2.924 342 H THR 50 H THR 50 9.768 -18.163 0.908 343 HA THR 50 HA THR 50 9.798 -15.762 -0.655 344 HB THR 50 HB THR 50 7.290 -15.885 -0.300 345 HG1 THR 50 1HG THR 50 6.536 -17.733 0.732 346 1HG2 THR 50 1HG2 THR 50 6.996 -17.930 -1.609 347 2HG2 THR 50 2HG2 THR 50 8.411 -17.040 -2.194 348 3HG2 THR 50 3HG2 THR 50 8.630 -18.485 -1.182 349 H MET 51 H MET 51 9.905 -16.088 2.780 350 HA MET 51 HA MET 51 9.370 -13.194 3.154 351 1HB MET 51 2HB MET 51 7.192 -14.359 3.440 352 2HB MET 51 3HB MET 51 7.904 -15.385 4.685 353 1HG MET 51 2HG MET 51 6.601 -13.595 5.668 354 2HG MET 51 3HG MET 51 8.306 -13.416 6.105 355 1HE MET 51 1HE MET 51 7.604 -11.003 7.027 356 2HE MET 51 2HE MET 51 6.830 -9.752 6.028 357 3HE MET 51 3HE MET 51 5.936 -11.229 6.449 Start of MODEL 13 1 1H ASP 1 1H ASP 1 2.718 7.449 -15.742 2 2H ASP 1 2H ASP 1 4.041 7.197 -16.682 3 3H ASP 1 3H ASP 1 2.785 6.131 -16.712 4 HA ASP 1 HA ASP 1 4.549 5.161 -15.462 5 1HB ASP 1 2HB ASP 1 4.432 7.741 -13.844 6 2HB ASP 1 3HB ASP 1 5.308 6.282 -13.355 7 H GLN 2 H GLN 2 4.164 3.814 -13.693 8 HA GLN 2 HA GLN 2 1.662 4.030 -12.155 9 1HB GLN 2 2HB GLN 2 0.818 1.888 -12.950 10 2HB GLN 2 3HB GLN 2 0.885 3.053 -14.251 11 1HG GLN 2 2HG GLN 2 3.111 1.002 -13.863 12 2HG GLN 2 3HG GLN 2 1.615 0.600 -14.686 13 1HE2 GLN 2 2HE2 GLN 2 1.144 1.547 -16.778 14 2HE2 GLN 2 1HE2 GLN 2 2.438 2.325 -17.689 15 H GLU 3 H GLU 3 1.410 1.885 -10.824 16 HA GLU 3 HA GLU 3 4.018 0.795 -9.889 17 1HB GLU 3 2HB GLU 3 1.905 2.091 -8.114 18 2HB GLU 3 3HB GLU 3 3.266 1.111 -7.532 19 1HG GLU 3 2HG GLU 3 4.852 2.731 -8.558 20 2HG GLU 3 3HG GLU 3 3.507 3.765 -9.006 21 H SER 4 H SER 4 3.794 -1.142 -8.596 22 HA SER 4 HA SER 4 1.211 -2.501 -8.412 23 1HB SER 4 2HB SER 4 1.803 -4.453 -9.675 24 2HB SER 4 3HB SER 4 2.009 -3.053 -10.743 25 HG SER 4 HG SER 4 4.239 -3.170 -10.408 26 H CYS 5 H CYS 5 1.479 -4.672 -7.282 27 HA CYS 5 HA CYS 5 3.025 -4.355 -4.956 28 1HB CYS 5 2HB CYS 5 0.872 -5.668 -5.342 29 2HB CYS 5 3HB CYS 5 1.856 -6.952 -6.056 30 H LYS 6 H LYS 6 4.290 -5.430 -7.930 31 HA LYS 6 HA LYS 6 5.748 -7.739 -7.148 32 1HB LYS 6 2HB LYS 6 6.134 -5.808 -9.452 33 2HB LYS 6 3HB LYS 6 7.020 -7.339 -9.273 34 1HG LYS 6 2HG LYS 6 4.869 -8.580 -9.180 35 2HG LYS 6 3HG LYS 6 3.980 -7.072 -9.459 36 1HD LYS 6 2HD LYS 6 6.021 -8.261 -11.369 37 2HD LYS 6 3HD LYS 6 4.270 -8.480 -11.470 38 1HE LYS 6 2HE LYS 6 3.987 -5.996 -11.654 39 2HE LYS 6 3HE LYS 6 5.741 -5.807 -11.626 40 1HZ LYS 6 1HZ LYS 6 4.901 -5.818 -13.899 41 2HZ LYS 6 2HZ LYS 6 5.849 -7.127 -13.679 42 3HZ LYS 6 3HZ LYS 6 4.223 -7.289 -13.708 43 H GLY 7 H GLY 7 6.977 -7.725 -5.523 44 1HA GLY 7 2HA GLY 7 8.820 -7.498 -4.172 45 2HA GLY 7 3HA GLY 7 9.625 -6.589 -5.463 46 H ARG 8 H ARG 8 6.536 -5.512 -3.987 47 HA ARG 8 HA ARG 8 8.008 -3.212 -2.711 48 1HB ARG 8 2HB ARG 8 5.752 -3.105 -4.748 49 2HB ARG 8 3HB ARG 8 6.206 -1.751 -3.713 50 1HG ARG 8 2HG ARG 8 8.586 -1.960 -4.599 51 2HG ARG 8 3HG ARG 8 7.963 -3.130 -5.769 52 1HD ARG 8 2HD ARG 8 8.091 -0.990 -6.820 53 2HD ARG 8 3HD ARG 8 6.373 -1.400 -6.613 54 HE ARG 8 HE ARG 8 7.115 0.069 -4.315 55 1HH1 ARG 8 1HH1 ARG 8 7.076 0.901 -7.742 56 2HH1 ARG 8 2HH1 ARG 8 6.551 2.532 -7.359 57 1HH2 ARG 8 1HH2 ARG 8 6.351 2.010 -3.997 58 2HH2 ARG 8 2HH2 ARG 8 6.069 3.105 -5.367 59 H CYS 9 H CYS 9 4.802 -4.910 -2.691 60 HA CYS 9 HA CYS 9 3.489 -3.412 -0.944 61 1HB CYS 9 2HB CYS 9 3.660 -6.421 -1.163 62 2HB CYS 9 3HB CYS 9 2.392 -5.577 -0.235 63 H THR 10 H THR 10 3.156 -2.963 1.027 64 HA THR 10 HA THR 10 3.443 -2.489 3.195 65 HB THR 10 HB THR 10 5.418 -4.723 3.674 66 HG1 THR 10 1HG THR 10 3.676 -6.073 3.966 67 1HG2 THR 10 1HG2 THR 10 4.901 -3.258 5.628 68 2HG2 THR 10 2HG2 THR 10 3.166 -3.510 5.355 69 3HG2 THR 10 3HG2 THR 10 4.209 -4.862 5.847 70 H GLU 11 H GLU 11 5.296 -1.607 0.934 71 HA GLU 11 HA GLU 11 7.780 -0.775 2.039 72 1HB GLU 11 2HB GLU 11 7.727 0.971 0.246 73 2HB GLU 11 3HB GLU 11 7.533 -0.679 -0.298 74 1HG GLU 11 2HG GLU 11 5.063 -0.312 -0.545 75 2HG GLU 11 3HG GLU 11 5.268 1.338 0.066 76 H GLY 12 H GLY 12 4.599 0.594 2.559 77 1HA GLY 12 2HA GLY 12 4.448 1.956 4.665 78 2HA GLY 12 3HA GLY 12 5.763 2.950 4.027 79 H PHE 13 H PHE 13 3.236 3.938 4.814 80 HA PHE 13 HA PHE 13 1.509 4.262 2.494 81 1HB PHE 13 2HB PHE 13 0.421 4.035 4.553 82 2HB PHE 13 3HB PHE 13 1.475 5.206 5.357 83 HD1 PHE 13 1HD PHE 13 0.732 7.400 5.659 84 HD2 PHE 13 2HD PHE 13 -1.108 4.976 2.583 85 HE1 PHE 13 1HE PHE 13 -0.960 9.168 5.272 86 HE2 PHE 13 2HE PHE 13 -2.842 6.704 2.278 87 HZ PHE 13 HZ PHE 13 -2.746 8.823 3.585 88 H ASN 14 H ASN 14 1.342 5.777 1.111 89 HA ASN 14 HA ASN 14 1.811 8.568 1.656 90 1HB ASN 14 2HB ASN 14 4.120 7.970 1.058 91 2HB ASN 14 3HB ASN 14 3.565 7.213 -0.441 92 1HD2 ASN 14 2HD2 ASN 14 5.443 9.035 -0.849 93 2HD2 ASN 14 1HD2 ASN 14 4.750 10.560 -1.404 94 H VAL 15 H VAL 15 -0.245 9.042 1.115 95 HA VAL 15 HA VAL 15 -1.729 7.618 -0.854 96 HB VAL 15 HB VAL 15 -2.477 8.745 1.285 97 1HG1 VAL 15 1HG1 VAL 15 -2.997 11.150 -0.447 98 2HG1 VAL 15 2HG1 VAL 15 -3.468 10.884 1.251 99 3HG1 VAL 15 3HG1 VAL 15 -1.756 11.030 0.832 100 1HG2 VAL 15 1HG2 VAL 15 -3.938 7.482 -0.142 101 2HG2 VAL 15 2HG2 VAL 15 -4.763 8.858 0.596 102 3HG2 VAL 15 3HG2 VAL 15 -4.282 8.937 -1.115 103 H ASP 16 H ASP 16 0.457 10.157 -1.410 104 HA ASP 16 HA ASP 16 -0.851 11.300 -3.755 105 1HB ASP 16 2HB ASP 16 0.796 12.482 -2.281 106 2HB ASP 16 3HB ASP 16 2.053 11.396 -2.897 107 H LYS 17 H LYS 17 1.067 8.435 -3.205 108 HA LYS 17 HA LYS 17 2.187 8.176 -5.875 109 1HB LYS 17 2HB LYS 17 1.741 5.985 -3.826 110 2HB LYS 17 3HB LYS 17 2.863 5.993 -5.205 111 1HG LYS 17 2HG LYS 17 4.117 7.875 -4.150 112 2HG LYS 17 3HG LYS 17 3.118 7.647 -2.705 113 1HD LYS 17 2HD LYS 17 5.110 5.696 -3.941 114 2HD LYS 17 3HD LYS 17 5.166 6.467 -2.353 115 1HE LYS 17 2HE LYS 17 4.417 4.418 -1.678 116 2HE LYS 17 3HE LYS 17 2.852 5.181 -1.999 117 1HZ LYS 17 1HZ LYS 17 2.534 3.417 -3.347 118 2HZ LYS 17 2HZ LYS 17 3.563 4.054 -4.420 119 3HZ LYS 17 3HZ LYS 17 4.115 2.966 -3.291 120 H LYS 18 H LYS 18 1.819 5.969 -7.043 121 HA LYS 18 HA LYS 18 -0.932 6.112 -8.094 122 1HB LYS 18 2HB LYS 18 1.658 4.916 -9.030 123 2HB LYS 18 3HB LYS 18 0.139 4.322 -9.714 124 1HG LYS 18 2HG LYS 18 1.007 6.051 -11.140 125 2HG LYS 18 3HG LYS 18 -0.465 6.645 -10.351 126 1HD LYS 18 2HD LYS 18 0.963 7.909 -8.717 127 2HD LYS 18 3HD LYS 18 2.406 7.269 -9.510 128 1HE LYS 18 2HE LYS 18 2.082 9.495 -10.293 129 2HE LYS 18 3HE LYS 18 1.739 8.395 -11.632 130 1HZ LYS 18 1HZ LYS 18 -0.640 8.728 -11.196 131 2HZ LYS 18 2HZ LYS 18 -0.317 9.717 -9.930 132 3HZ LYS 18 3HZ LYS 18 0.077 10.168 -11.446 133 H CYS 19 H CYS 19 0.907 3.838 -6.120 134 HA CYS 19 HA CYS 19 -1.707 2.479 -5.583 135 1HB CYS 19 2HB CYS 19 -0.836 0.385 -5.376 136 2HB CYS 19 3HB CYS 19 -0.064 0.936 -6.855 137 H GLN 20 H GLN 20 -2.171 2.130 -3.536 138 HA GLN 20 HA GLN 20 -0.199 2.944 -1.433 139 1HB GLN 20 2HB GLN 20 -3.224 2.999 -1.510 140 2HB GLN 20 3HB GLN 20 -2.284 3.074 -0.014 141 1HG GLN 20 2HG GLN 20 -2.816 5.299 -0.660 142 2HG GLN 20 3HG GLN 20 -1.074 5.040 -0.715 143 1HE2 GLN 20 2HE2 GLN 20 -0.256 6.385 -2.384 144 2HE2 GLN 20 1HE2 GLN 20 -1.097 6.558 -3.924 145 H CYS 21 H CYS 21 0.730 0.974 -2.275 146 HA CYS 21 HA CYS 21 -0.310 -1.655 -1.595 147 1HB CYS 21 2HB CYS 21 2.475 -0.600 -2.349 148 2HB CYS 21 3HB CYS 21 2.011 -2.290 -2.259 149 H ASP 22 H ASP 22 -0.688 -0.293 0.679 150 HA ASP 22 HA ASP 22 1.421 -1.129 2.612 151 1HB ASP 22 2HB ASP 22 1.528 1.122 3.536 152 2HB ASP 22 3HB ASP 22 1.937 1.151 1.820 153 H GLU 23 H GLU 23 0.741 -0.319 4.887 154 HA GLU 23 HA GLU 23 -1.482 -1.953 5.631 155 1HB GLU 23 2HB GLU 23 0.195 -0.100 7.366 156 2HB GLU 23 3HB GLU 23 -0.732 -1.512 7.888 157 1HG GLU 23 2HG GLU 23 0.766 -2.936 6.417 158 2HG GLU 23 3HG GLU 23 1.770 -1.513 6.141 159 H LEU 24 H LEU 24 -1.638 1.356 4.765 160 HA LEU 24 HA LEU 24 -3.961 1.874 6.611 161 1HB LEU 24 2HB LEU 24 -1.912 3.807 5.473 162 2HB LEU 24 3HB LEU 24 -3.303 4.259 6.449 163 HG LEU 24 HG LEU 24 -0.961 2.558 7.411 164 1HD1 LEU 24 1HD1 LEU 24 -1.784 5.418 8.066 165 2HD1 LEU 24 2HD1 LEU 24 -0.418 4.526 8.775 166 3HD1 LEU 24 3HD1 LEU 24 -0.406 4.938 7.054 167 1HD2 LEU 24 1HD2 LEU 24 -3.001 1.929 8.631 168 2HD2 LEU 24 2HD2 LEU 24 -1.953 2.897 9.670 169 3HD2 LEU 24 3HD2 LEU 24 -3.384 3.642 8.920 170 H CYS 25 H CYS 25 -3.202 1.357 3.375 171 HA CYS 25 HA CYS 25 -4.555 3.331 1.993 172 1HB CYS 25 2HB CYS 25 -4.436 1.862 0.148 173 2HB CYS 25 3HB CYS 25 -3.046 1.520 1.195 174 H SER 26 H SER 26 -6.118 0.531 3.572 175 HA SER 26 HA SER 26 -8.565 0.675 2.077 176 1HB SER 26 2HB SER 26 -9.426 -0.870 3.767 177 2HB SER 26 3HB SER 26 -7.830 -1.358 3.182 178 HG SER 26 HG SER 26 -8.002 -1.471 5.487 179 H TYR 27 H TYR 27 -7.511 2.235 5.047 180 HA TYR 27 HA TYR 27 -9.995 3.501 5.787 181 1HB TYR 27 2HB TYR 27 -8.414 3.306 7.466 182 2HB TYR 27 3HB TYR 27 -7.078 3.761 6.441 183 HD1 TYR 27 1HD TYR 27 -6.141 5.857 6.558 184 HD2 TYR 27 2HD TYR 27 -10.139 5.246 8.056 185 HE1 TYR 27 1HE TYR 27 -6.160 8.186 7.435 186 HE2 TYR 27 2HE TYR 27 -10.154 7.570 8.959 187 HH TYR 27 HH TYR 27 -8.993 9.530 9.197 188 H TYR 28 H TYR 28 -7.694 4.194 3.250 189 HA TYR 28 HA TYR 28 -9.057 6.776 2.595 190 1HB TYR 28 2HB TYR 28 -6.390 5.569 1.808 191 2HB TYR 28 3HB TYR 28 -7.071 6.983 1.006 192 HD1 TYR 28 1HD TYR 28 -5.232 5.806 3.903 193 HD2 TYR 28 2HD TYR 28 -7.516 9.093 2.295 194 HE1 TYR 28 1HE TYR 28 -4.204 7.335 5.572 195 HE2 TYR 28 2HE TYR 28 -6.481 10.627 3.968 196 HH TYR 28 HH TYR 28 -4.058 9.491 6.353 197 H GLN 29 H GLN 29 -9.346 3.552 1.809 198 HA GLN 29 HA GLN 29 -9.937 2.281 0.056 199 1HB GLN 29 2HB GLN 29 -11.621 4.672 -0.787 200 2HB GLN 29 3HB GLN 29 -11.831 2.995 -1.279 201 1HG GLN 29 2HG GLN 29 -13.454 3.255 0.353 202 2HG GLN 29 3HG GLN 29 -12.151 2.419 1.204 203 1HE2 GLN 29 2HE2 GLN 29 -11.589 3.335 3.192 204 2HE2 GLN 29 1HE2 GLN 29 -11.956 5.005 3.641 205 H SER 30 H SER 30 -7.459 3.551 -0.299 206 HA SER 30 HA SER 30 -7.296 4.369 -3.160 207 1HB SER 30 2HB SER 30 -5.191 5.445 -2.396 208 2HB SER 30 3HB SER 30 -6.617 5.981 -1.480 209 HG SER 30 HG SER 30 -4.961 5.478 -0.040 210 H CYS 31 H CYS 31 -6.749 1.573 -1.479 211 HA CYS 31 HA CYS 31 -4.189 0.712 -1.871 212 1HB CYS 31 2HB CYS 31 -6.672 -1.007 -2.164 213 2HB CYS 31 3HB CYS 31 -5.062 -1.502 -1.624 214 H CYS 32 H CYS 32 -3.129 -0.770 -3.242 215 HA CYS 32 HA CYS 32 -3.140 -0.592 -6.008 216 1HB CYS 32 2HB CYS 32 -2.401 -3.200 -5.713 217 2HB CYS 32 3HB CYS 32 -1.339 -1.826 -5.444 218 H THR 33 H THR 33 -3.993 -1.705 -7.763 219 HA THR 33 HA THR 33 -6.705 -2.120 -7.811 220 HB THR 33 HB THR 33 -4.840 -3.451 -9.796 221 HG1 THR 33 1HG THR 33 -4.628 -1.421 -10.749 222 1HG2 THR 33 1HG2 THR 33 -7.248 -3.673 -10.300 223 2HG2 THR 33 2HG2 THR 33 -7.467 -1.919 -10.109 224 3HG2 THR 33 3HG2 THR 33 -6.488 -2.565 -11.446 225 H ASP 34 H ASP 34 -4.347 -4.552 -7.010 226 HA ASP 34 HA ASP 34 -6.488 -6.619 -6.687 227 1HB ASP 34 2HB ASP 34 -3.638 -6.990 -7.682 228 2HB ASP 34 3HB ASP 34 -4.746 -8.307 -7.268 229 H TYR 35 H TYR 35 -5.432 -4.617 -4.763 230 HA TYR 35 HA TYR 35 -3.503 -5.381 -3.024 231 1HB TYR 35 2HB TYR 35 -4.617 -3.293 -2.771 232 2HB TYR 35 3HB TYR 35 -6.176 -4.064 -2.514 233 HD1 TYR 35 1HD TYR 35 -2.917 -3.175 -0.862 234 HD2 TYR 35 2HD TYR 35 -6.895 -4.806 -0.378 235 HE1 TYR 35 1HE TYR 35 -2.712 -2.996 1.599 236 HE2 TYR 35 2HE TYR 35 -6.695 -4.559 2.081 237 HH TYR 35 HH TYR 35 -5.411 -3.810 3.808 238 H THR 36 H THR 36 -6.903 -6.598 -2.648 239 HA THR 36 HA THR 36 -6.271 -8.151 -0.324 240 HB THR 36 HB THR 36 -8.470 -9.350 -0.901 241 HG1 THR 36 1HG THR 36 -9.736 -8.229 -2.400 242 1HG2 THR 36 1HG2 THR 36 -8.547 -6.324 -0.606 243 2HG2 THR 36 2HG2 THR 36 -9.755 -7.501 -0.047 244 3HG2 THR 36 3HG2 THR 36 -8.152 -7.451 0.713 245 H ALA 37 H ALA 37 -5.546 -8.867 -3.600 246 HA ALA 37 HA ALA 37 -5.245 -11.781 -3.000 247 1HB ALA 37 1HB ALA 37 -5.386 -10.298 -5.655 248 2HB ALA 37 2HB ALA 37 -5.265 -12.056 -5.436 249 3HB ALA 37 3HB ALA 37 -6.717 -11.196 -4.888 250 H GLU 38 H GLU 38 -3.417 -8.873 -3.812 251 HA GLU 38 HA GLU 38 -0.889 -10.499 -3.960 252 1HB GLU 38 2HB GLU 38 -1.483 -7.778 -5.175 253 2HB GLU 38 3HB GLU 38 0.031 -8.698 -5.292 254 1HG GLU 38 2HG GLU 38 -1.304 -10.555 -6.398 255 2HG GLU 38 3HG GLU 38 -2.661 -9.431 -6.500 256 H CYS 39 H CYS 39 -2.083 -7.286 -2.781 257 HA CYS 39 HA CYS 39 0.513 -6.860 -1.493 258 1HB CYS 39 2HB CYS 39 -1.830 -5.019 -1.312 259 2HB CYS 39 3HB CYS 39 -0.150 -4.597 -1.254 260 H LYS 40 H LYS 40 -2.614 -7.807 -0.449 261 HA LYS 40 HA LYS 40 -3.270 -6.829 1.846 262 1HB LYS 40 2HB LYS 40 -4.411 -8.606 0.689 263 2HB LYS 40 3HB LYS 40 -3.297 -9.797 1.341 264 1HG LYS 40 2HG LYS 40 -4.081 -9.324 3.630 265 2HG LYS 40 3HG LYS 40 -5.046 -7.964 3.031 266 1HD LYS 40 2HD LYS 40 -6.545 -9.715 3.462 267 2HD LYS 40 3HD LYS 40 -6.451 -9.593 1.716 268 1HE LYS 40 2HE LYS 40 -4.895 -11.640 3.377 269 2HE LYS 40 3HE LYS 40 -6.524 -11.922 2.768 270 1HZ LYS 40 1HZ LYS 40 -5.011 -12.869 1.225 271 2HZ LYS 40 2HZ LYS 40 -5.627 -11.546 0.484 272 3HZ LYS 40 3HZ LYS 40 -4.111 -11.519 1.102 273 HA PRO 41 HA PRO 41 0.061 -7.703 4.917 274 1HB PRO 41 2HB PRO 41 -0.051 -5.356 6.237 275 2HB PRO 41 3HB PRO 41 0.675 -5.440 4.606 276 1HG PRO 41 2HG PRO 41 -2.127 -4.548 5.350 277 2HG PRO 41 3HG PRO 41 -0.947 -3.742 4.263 278 1HD PRO 41 2HD PRO 41 -2.970 -5.467 3.428 279 2HD PRO 41 3HD PRO 41 -1.476 -5.153 2.504 280 H GLN 42 H GLN 42 -0.438 -7.053 7.526 281 HA GLN 42 HA GLN 42 -2.777 -8.542 8.333 282 1HB GLN 42 2HB GLN 42 -0.763 -8.297 9.732 283 2HB GLN 42 3HB GLN 42 -1.090 -6.559 9.924 284 1HG GLN 42 2HG GLN 42 -3.204 -7.053 11.072 285 2HG GLN 42 3HG GLN 42 -3.008 -8.782 10.776 286 1HE2 GLN 42 2HE2 GLN 42 -3.491 -7.951 13.316 287 2HE2 GLN 42 1HE2 GLN 42 -2.021 -8.112 14.291 288 H VAL 43 H VAL 43 -4.817 -7.890 8.772 289 HA VAL 43 HA VAL 43 -5.602 -5.024 8.475 290 HB VAL 43 HB VAL 43 -7.594 -5.811 7.155 291 1HG1 VAL 43 1HG1 VAL 43 -4.897 -6.243 5.840 292 2HG1 VAL 43 2HG1 VAL 43 -6.432 -5.872 5.035 293 3HG1 VAL 43 3HG1 VAL 43 -5.687 -4.680 6.116 294 1HG2 VAL 43 1HG2 VAL 43 -7.511 -7.917 5.962 295 2HG2 VAL 43 2HG2 VAL 43 -5.963 -8.353 6.707 296 3HG2 VAL 43 3HG2 VAL 43 -7.441 -8.261 7.696 297 H THR 44 H THR 44 -5.193 -6.212 10.886 298 HA THR 44 HA THR 44 -7.916 -6.167 12.102 299 HB THR 44 HB THR 44 -7.173 -7.847 13.765 300 HG1 THR 44 1HG THR 44 -5.401 -9.163 13.161 301 1HG2 THR 44 1HG2 THR 44 -7.460 -9.823 12.392 302 2HG2 THR 44 2HG2 THR 44 -8.521 -8.541 11.785 303 3HG2 THR 44 3HG2 THR 44 -7.016 -8.930 10.922 304 H ARG 45 H ARG 45 -7.912 -5.592 14.376 305 HA ARG 45 HA ARG 45 -5.642 -4.101 15.488 306 1HB ARG 45 2HB ARG 45 -6.891 -1.930 15.570 307 2HB ARG 45 3HB ARG 45 -6.385 -2.433 13.982 308 1HG ARG 45 2HG ARG 45 -8.542 -1.427 13.824 309 2HG ARG 45 3HG ARG 45 -8.665 -3.129 13.394 310 1HD ARG 45 2HD ARG 45 -10.608 -2.450 14.670 311 2HD ARG 45 3HD ARG 45 -9.696 -3.624 15.585 312 HE ARG 45 HE ARG 45 -9.247 -2.018 17.227 313 1HH1 ARG 45 1HH2 ARG 45 -10.670 -0.319 14.504 314 2HH1 ARG 45 2HH2 ARG 45 -10.923 1.124 15.447 315 1HH2 ARG 45 1HH1 ARG 45 -9.574 -0.199 18.332 316 2HH2 ARG 45 2HH1 ARG 45 -10.307 1.197 17.571 317 H GLY 46 H GLY 46 -6.413 -2.855 17.488 318 1HA GLY 46 2HA GLY 46 -8.783 -3.949 18.879 319 2HA GLY 46 3HA GLY 46 -7.223 -4.281 19.644 320 H ASP 47 H ASP 47 -5.930 -2.481 20.349 321 HA ASP 47 HA ASP 47 -7.200 0.216 20.412 322 1HB ASP 47 2HB ASP 47 -7.725 -1.155 22.472 323 2HB ASP 47 3HB ASP 47 -5.998 -1.222 22.810 324 H VAL 48 H VAL 48 -4.858 -1.138 19.025 325 HA VAL 48 HA VAL 48 -2.914 1.023 19.226 326 HB VAL 48 HB VAL 48 -2.214 -0.464 21.066 327 1HG1 VAL 48 1HG1 VAL 48 -1.717 -2.611 18.963 328 2HG1 VAL 48 2HG1 VAL 48 -1.277 -2.678 20.680 329 3HG1 VAL 48 3HG1 VAL 48 -2.980 -2.653 20.213 330 1HG2 VAL 48 1HG2 VAL 48 0.109 -0.617 20.554 331 2HG2 VAL 48 2HG2 VAL 48 -0.191 -0.620 18.813 332 3HG2 VAL 48 3HG2 VAL 48 -0.525 0.842 19.781 333 H PHE 49 H PHE 49 -1.521 1.091 17.420 334 HA PHE 49 HA PHE 49 -2.216 -0.708 15.122 335 1HB PHE 49 2HB PHE 49 -2.102 2.328 15.223 336 2HB PHE 49 3HB PHE 49 -2.216 1.386 13.737 337 HD1 PHE 49 1HD PHE 49 -4.253 0.213 13.092 338 HD2 PHE 49 2HD PHE 49 -4.066 2.500 16.744 339 HE1 PHE 49 1HE PHE 49 -6.730 0.178 13.242 340 HE2 PHE 49 2HE PHE 49 -6.545 2.433 16.911 341 HZ PHE 49 HZ PHE 49 -7.878 1.279 15.155 342 H THR 50 H THR 50 0.403 0.510 16.934 343 HA THR 50 HA THR 50 2.391 0.691 14.826 344 HB THR 50 HB THR 50 3.998 0.435 16.764 345 HG1 THR 50 1HG THR 50 3.088 0.521 18.819 346 1HG2 THR 50 1HG2 THR 50 3.215 2.664 15.999 347 2HG2 THR 50 2HG2 THR 50 1.839 2.566 17.120 348 3HG2 THR 50 3HG2 THR 50 3.502 2.622 17.746 349 H MET 51 H MET 51 1.004 -1.923 16.629 350 HA MET 51 HA MET 51 1.417 -4.180 16.812 351 1HB MET 51 2HB MET 51 1.353 -3.731 13.810 352 2HB MET 51 3HB MET 51 1.088 -5.284 14.615 353 1HG MET 51 2HG MET 51 -0.830 -4.347 15.843 354 2HG MET 51 3HG MET 51 -0.623 -2.798 15.011 355 1HE MET 51 1HE MET 51 -0.072 -3.468 11.977 356 2HE MET 51 2HE MET 51 -1.740 -3.510 11.371 357 3HE MET 51 3HE MET 51 -1.264 -2.288 12.570 Start of MODEL 14 1 1H ASP 1 1H ASP 1 -8.021 5.967 -8.796 2 2H ASP 1 2H ASP 1 -8.737 5.967 -10.275 3 3H ASP 1 3H ASP 1 -8.674 4.579 -9.375 4 HA ASP 1 HA ASP 1 -7.079 4.450 -11.134 5 1HB ASP 1 2HB ASP 1 -5.994 7.023 -9.913 6 2HB ASP 1 3HB ASP 1 -5.124 6.014 -11.081 7 H GLN 2 H GLN 2 -5.682 2.861 -10.716 8 HA GLN 2 HA GLN 2 -4.341 2.631 -8.071 9 1HB GLN 2 2HB GLN 2 -5.955 0.379 -9.348 10 2HB GLN 2 3HB GLN 2 -5.011 0.313 -7.870 11 1HG GLN 2 2HG GLN 2 -7.073 0.495 -6.959 12 2HG GLN 2 3HG GLN 2 -6.649 2.199 -7.026 13 1HE2 GLN 2 2HE2 GLN 2 -8.527 -0.405 -8.668 14 2HE2 GLN 2 1HE2 GLN 2 -9.654 0.712 -9.438 15 H GLU 3 H GLU 3 -2.792 0.664 -8.148 16 HA GLU 3 HA GLU 3 -1.760 -0.033 -10.806 17 1HB GLU 3 2HB GLU 3 -0.716 2.181 -10.081 18 2HB GLU 3 3HB GLU 3 0.099 1.289 -8.785 19 1HG GLU 3 2HG GLU 3 1.314 -0.040 -10.446 20 2HG GLU 3 3HG GLU 3 0.340 0.634 -11.755 21 H SER 4 H SER 4 -0.144 -1.768 -10.718 22 HA SER 4 HA SER 4 -0.829 -3.804 -8.771 23 1HB SER 4 2HB SER 4 -0.351 -4.160 -11.222 24 2HB SER 4 3HB SER 4 1.374 -3.898 -10.860 25 HG SER 4 HG SER 4 0.606 -6.141 -10.816 26 H CYS 5 H CYS 5 0.936 -5.164 -7.765 27 HA CYS 5 HA CYS 5 2.753 -3.365 -6.205 28 1HB CYS 5 2HB CYS 5 0.586 -4.200 -5.320 29 2HB CYS 5 3HB CYS 5 1.271 -5.834 -5.267 30 H LYS 6 H LYS 6 3.472 -5.365 -8.544 31 HA LYS 6 HA LYS 6 4.797 -7.580 -7.316 32 1HB LYS 6 2HB LYS 6 5.414 -6.458 -10.063 33 2HB LYS 6 3HB LYS 6 5.662 -8.107 -9.489 34 1HG LYS 6 2HG LYS 6 3.045 -6.695 -10.114 35 2HG LYS 6 3HG LYS 6 3.779 -8.042 -10.977 36 1HD LYS 6 2HD LYS 6 2.505 -8.150 -8.221 37 2HD LYS 6 3HD LYS 6 1.858 -8.786 -9.733 38 1HE LYS 6 2HE LYS 6 3.978 -10.262 -9.848 39 2HE LYS 6 3HE LYS 6 4.267 -9.784 -8.169 40 1HZ LYS 6 1HZ LYS 6 1.917 -10.632 -7.733 41 2HZ LYS 6 2HZ LYS 6 1.929 -11.270 -9.223 42 3HZ LYS 6 3HZ LYS 6 3.012 -11.799 -8.124 43 H GLY 7 H GLY 7 6.154 -7.031 -5.744 44 1HA GLY 7 2HA GLY 7 8.416 -6.914 -5.038 45 2HA GLY 7 3HA GLY 7 8.829 -5.917 -6.439 46 H ARG 8 H ARG 8 5.949 -4.935 -4.661 47 HA ARG 8 HA ARG 8 7.515 -2.665 -3.429 48 1HB ARG 8 2HB ARG 8 4.819 -2.476 -4.829 49 2HB ARG 8 3HB ARG 8 5.758 -1.157 -4.123 50 1HG ARG 8 2HG ARG 8 7.646 -1.872 -5.756 51 2HG ARG 8 3HG ARG 8 6.380 -2.768 -6.609 52 1HD ARG 8 2HD ARG 8 6.423 0.225 -6.024 53 2HD ARG 8 3HD ARG 8 6.793 -0.571 -7.569 54 HE ARG 8 HE ARG 8 4.154 -1.307 -6.733 55 1HH1 ARG 8 2HH2 ARG 8 5.796 1.525 -8.104 56 2HH1 ARG 8 1HH2 ARG 8 4.291 2.025 -8.878 57 1HH2 ARG 8 1HH1 ARG 8 2.393 -0.519 -7.870 58 2HH2 ARG 8 2HH1 ARG 8 2.568 1.040 -8.687 59 H CYS 9 H CYS 9 4.811 -4.825 -2.921 60 HA CYS 9 HA CYS 9 3.299 -3.552 -1.140 61 1HB CYS 9 2HB CYS 9 4.026 -6.460 -0.744 62 2HB CYS 9 3HB CYS 9 2.478 -5.659 -0.443 63 H THR 10 H THR 10 3.031 -3.110 0.913 64 HA THR 10 HA THR 10 3.369 -2.633 3.071 65 HB THR 10 HB THR 10 5.521 -4.705 3.448 66 HG1 THR 10 1HG THR 10 4.005 -6.289 3.512 67 1HG2 THR 10 1HG2 THR 10 3.074 -3.867 5.083 68 2HG2 THR 10 2HG2 THR 10 4.238 -5.129 5.546 69 3HG2 THR 10 3HG2 THR 10 4.755 -3.445 5.448 70 H GLU 11 H GLU 11 5.041 -1.350 0.974 71 HA GLU 11 HA GLU 11 7.632 -0.722 2.053 72 1HB GLU 11 2HB GLU 11 7.600 1.110 0.403 73 2HB GLU 11 3HB GLU 11 7.271 -0.462 -0.298 74 1HG GLU 11 2HG GLU 11 4.908 0.068 -0.568 75 2HG GLU 11 3HG GLU 11 5.064 1.500 0.455 76 H GLY 12 H GLY 12 4.583 0.442 3.084 77 1HA GLY 12 2HA GLY 12 4.411 2.011 4.953 78 2HA GLY 12 3HA GLY 12 5.721 2.969 4.253 79 H PHE 13 H PHE 13 3.506 4.325 4.866 80 HA PHE 13 HA PHE 13 1.690 4.463 2.512 81 1HB PHE 13 2HB PHE 13 0.490 4.202 4.467 82 2HB PHE 13 3HB PHE 13 1.554 5.258 5.408 83 HD1 PHE 13 1HD PHE 13 -1.105 5.241 2.761 84 HD2 PHE 13 2HD PHE 13 1.099 7.571 5.653 85 HE1 PHE 13 1HE PHE 13 -2.723 7.102 2.509 86 HE2 PHE 13 2HE PHE 13 -0.516 9.435 5.384 87 HZ PHE 13 HZ PHE 13 -2.430 9.197 3.824 88 H ASN 14 H ASN 14 1.564 6.087 1.165 89 HA ASN 14 HA ASN 14 2.301 8.811 1.791 90 1HB ASN 14 2HB ASN 14 4.543 7.927 1.190 91 2HB ASN 14 3HB ASN 14 3.914 7.358 -0.364 92 1HD2 ASN 14 2HD2 ASN 14 6.077 9.032 -0.393 93 2HD2 ASN 14 1HD2 ASN 14 5.572 10.628 -0.946 94 H VAL 15 H VAL 15 0.162 9.195 1.366 95 HA VAL 15 HA VAL 15 -1.433 8.005 -0.534 96 HB VAL 15 HB VAL 15 -2.033 9.256 1.519 97 1HG1 VAL 15 1HG1 VAL 15 -2.215 11.688 -0.254 98 2HG1 VAL 15 2HG1 VAL 15 -2.734 11.524 1.443 99 3HG1 VAL 15 3HG1 VAL 15 -1.015 11.418 1.039 100 1HG2 VAL 15 1HG2 VAL 15 -3.671 8.202 0.079 101 2HG2 VAL 15 2HG2 VAL 15 -4.289 9.661 0.861 102 3HG2 VAL 15 3HG2 VAL 15 -3.833 9.713 -0.855 103 H ASP 16 H ASP 16 0.867 10.397 -1.364 104 HA ASP 16 HA ASP 16 -0.395 11.390 -3.780 105 1HB ASP 16 2HB ASP 16 1.436 12.523 -2.524 106 2HB ASP 16 3HB ASP 16 2.534 11.221 -3.013 107 H LYS 17 H LYS 17 1.335 8.400 -3.031 108 HA LYS 17 HA LYS 17 2.261 7.840 -5.710 109 1HB LYS 17 2HB LYS 17 1.877 6.013 -3.294 110 2HB LYS 17 3HB LYS 17 2.599 5.507 -4.830 111 1HG LYS 17 2HG LYS 17 4.277 7.415 -4.555 112 2HG LYS 17 3HG LYS 17 3.680 7.584 -2.888 113 1HD LYS 17 2HD LYS 17 4.271 5.187 -2.467 114 2HD LYS 17 3HD LYS 17 4.855 5.058 -4.145 115 1HE LYS 17 2HE LYS 17 6.453 6.979 -3.619 116 2HE LYS 17 3HE LYS 17 5.979 6.803 -1.918 117 1HZ LYS 17 1HZ LYS 17 7.958 5.504 -2.336 118 2HZ LYS 17 2HZ LYS 17 6.735 4.439 -2.090 119 3HZ LYS 17 3HZ LYS 17 7.275 4.724 -3.598 120 H LYS 18 H LYS 18 1.679 6.228 -7.134 121 HA LYS 18 HA LYS 18 -1.056 6.230 -7.958 122 1HB LYS 18 2HB LYS 18 1.465 4.865 -8.904 123 2HB LYS 18 3HB LYS 18 -0.092 4.351 -9.554 124 1HG LYS 18 2HG LYS 18 0.813 5.942 -11.058 125 2HG LYS 18 3HG LYS 18 -0.580 6.682 -10.251 126 1HD LYS 18 2HD LYS 18 0.985 7.903 -8.737 127 2HD LYS 18 3HD LYS 18 2.363 7.168 -9.587 128 1HE LYS 18 2HE LYS 18 1.593 8.211 -11.710 129 2HE LYS 18 3HE LYS 18 0.224 8.938 -10.860 130 1HZ LYS 18 1HZ LYS 18 3.084 9.521 -10.292 131 2HZ LYS 18 2HZ LYS 18 2.057 10.511 -11.080 132 3HZ LYS 18 3HZ LYS 18 1.818 10.189 -9.500 133 H CYS 19 H CYS 19 0.494 4.082 -5.776 134 HA CYS 19 HA CYS 19 -2.112 2.772 -5.348 135 1HB CYS 19 2HB CYS 19 -1.206 0.594 -4.983 136 2HB CYS 19 3HB CYS 19 -0.760 1.052 -6.619 137 H GLN 20 H GLN 20 -2.520 2.420 -3.215 138 HA GLN 20 HA GLN 20 -0.365 3.055 -1.229 139 1HB GLN 20 2HB GLN 20 -3.368 2.805 -0.901 140 2HB GLN 20 3HB GLN 20 -2.206 3.119 0.409 141 1HG GLN 20 2HG GLN 20 -2.903 4.927 -1.930 142 2HG GLN 20 3HG GLN 20 -3.100 5.253 -0.201 143 1HE2 GLN 20 2HE2 GLN 20 -1.168 6.089 -2.837 144 2HE2 GLN 20 1HE2 GLN 20 0.245 6.539 -1.878 145 H CYS 21 H CYS 21 0.627 1.220 -2.173 146 HA CYS 21 HA CYS 21 -0.373 -1.459 -1.793 147 1HB CYS 21 2HB CYS 21 2.369 -0.290 -2.454 148 2HB CYS 21 3HB CYS 21 1.979 -2.005 -2.398 149 H ASP 22 H ASP 22 -0.732 -0.251 0.666 150 HA ASP 22 HA ASP 22 1.144 -1.564 2.524 151 1HB ASP 22 2HB ASP 22 2.135 0.656 1.823 152 2HB ASP 22 3HB ASP 22 0.715 1.456 2.519 153 H GLU 23 H GLU 23 0.520 -0.917 4.867 154 HA GLU 23 HA GLU 23 -1.887 -2.175 5.424 155 1HB GLU 23 2HB GLU 23 -0.433 -0.314 7.332 156 2HB GLU 23 3HB GLU 23 -1.390 -1.747 7.716 157 1HG GLU 23 2HG GLU 23 0.362 -3.105 6.441 158 2HG GLU 23 3HG GLU 23 1.358 -1.651 6.387 159 H LEU 24 H LEU 24 -1.420 1.353 5.226 160 HA LEU 24 HA LEU 24 -3.956 1.919 6.605 161 1HB LEU 24 2HB LEU 24 -1.896 3.732 5.294 162 2HB LEU 24 3HB LEU 24 -3.287 4.286 6.219 163 HG LEU 24 HG LEU 24 -0.967 2.644 7.322 164 1HD1 LEU 24 1HD1 LEU 24 -1.823 5.528 7.808 165 2HD1 LEU 24 2HD1 LEU 24 -0.459 4.688 8.583 166 3HD1 LEU 24 3HD1 LEU 24 -0.430 5.003 6.844 167 1HD2 LEU 24 1HD2 LEU 24 -2.000 3.130 9.551 168 2HD2 LEU 24 2HD2 LEU 24 -3.439 3.763 8.719 169 3HD2 LEU 24 3HD2 LEU 24 -2.986 2.049 8.568 170 H CYS 25 H CYS 25 -3.397 1.057 3.386 171 HA CYS 25 HA CYS 25 -4.816 3.055 1.991 172 1HB CYS 25 2HB CYS 25 -4.761 1.631 0.179 173 2HB CYS 25 3HB CYS 25 -3.368 1.135 1.160 174 H SER 26 H SER 26 -6.172 0.338 3.801 175 HA SER 26 HA SER 26 -8.801 0.391 2.672 176 1HB SER 26 2HB SER 26 -7.676 -1.478 3.936 177 2HB SER 26 3HB SER 26 -8.014 -0.594 5.437 178 HG SER 26 HG SER 26 -10.270 -0.678 4.813 179 H TYR 27 H TYR 27 -7.361 2.717 4.627 180 HA TYR 27 HA TYR 27 -9.936 3.827 5.636 181 1HB TYR 27 2HB TYR 27 -8.439 3.719 7.375 182 2HB TYR 27 3HB TYR 27 -7.044 4.013 6.375 183 HD1 TYR 27 1HD TYR 27 -5.930 5.997 6.516 184 HD2 TYR 27 2HD TYR 27 -10.090 5.849 7.645 185 HE1 TYR 27 1HE TYR 27 -5.799 8.360 7.254 186 HE2 TYR 27 2HE TYR 27 -9.961 8.230 8.396 187 HH TYR 27 HH TYR 27 -6.938 10.143 8.155 188 H TYR 28 H TYR 28 -7.884 4.095 2.921 189 HA TYR 28 HA TYR 28 -9.014 6.779 2.189 190 1HB TYR 28 2HB TYR 28 -6.362 5.469 1.519 191 2HB TYR 28 3HB TYR 28 -6.992 6.882 0.667 192 HD1 TYR 28 1HD TYR 28 -5.211 5.756 3.614 193 HD2 TYR 28 2HD TYR 28 -7.439 9.024 1.886 194 HE1 TYR 28 1HE TYR 28 -4.159 7.333 5.226 195 HE2 TYR 28 2HE TYR 28 -6.398 10.596 3.507 196 HH TYR 28 HH TYR 28 -4.941 10.840 5.256 197 H GLN 29 H GLN 29 -9.032 3.463 1.328 198 HA GLN 29 HA GLN 29 -9.819 2.254 -0.367 199 1HB GLN 29 2HB GLN 29 -11.446 4.568 -1.418 200 2HB GLN 29 3HB GLN 29 -11.784 2.843 -1.489 201 1HG GLN 29 2HG GLN 29 -12.039 4.738 0.854 202 2HG GLN 29 3HG GLN 29 -13.296 3.753 0.104 203 1HE2 GLN 29 2HE2 GLN 29 -12.083 3.997 2.973 204 2HE2 GLN 29 1HE2 GLN 29 -11.667 2.331 3.390 205 H SER 30 H SER 30 -7.357 3.628 -0.748 206 HA SER 30 HA SER 30 -7.148 3.983 -3.706 207 1HB SER 30 2HB SER 30 -5.258 5.518 -3.094 208 2HB SER 30 3HB SER 30 -6.848 6.037 -2.496 209 HG SER 30 HG SER 30 -5.268 6.187 -0.873 210 H CYS 31 H CYS 31 -6.836 1.507 -2.032 211 HA CYS 31 HA CYS 31 -4.200 0.547 -1.841 212 1HB CYS 31 2HB CYS 31 -6.742 -0.984 -2.504 213 2HB CYS 31 3HB CYS 31 -5.286 -1.603 -1.717 214 H CYS 32 H CYS 32 -3.399 -1.452 -3.113 215 HA CYS 32 HA CYS 32 -2.787 -1.072 -5.797 216 1HB CYS 32 2HB CYS 32 -3.423 -3.811 -4.705 217 2HB CYS 32 3HB CYS 32 -2.199 -3.367 -5.887 218 H THR 33 H THR 33 -3.527 -2.179 -7.772 219 HA THR 33 HA THR 33 -6.267 -2.156 -8.361 220 HB THR 33 HB THR 33 -4.268 -3.975 -9.738 221 HG1 THR 33 1HG THR 33 -3.781 -2.112 -10.970 222 1HG2 THR 33 1HG2 THR 33 -6.564 -4.094 -10.650 223 2HG2 THR 33 2HG2 THR 33 -6.625 -2.320 -10.765 224 3HG2 THR 33 3HG2 THR 33 -5.502 -3.252 -11.781 225 H ASP 34 H ASP 34 -4.447 -4.796 -6.879 226 HA ASP 34 HA ASP 34 -6.975 -6.275 -6.420 227 1HB ASP 34 2HB ASP 34 -5.812 -7.104 -8.519 228 2HB ASP 34 3HB ASP 34 -4.466 -7.620 -7.494 229 H TYR 35 H TYR 35 -5.715 -4.690 -4.593 230 HA TYR 35 HA TYR 35 -3.613 -5.432 -3.060 231 1HB TYR 35 2HB TYR 35 -4.830 -3.378 -2.764 232 2HB TYR 35 3HB TYR 35 -6.239 -4.239 -2.139 233 HD1 TYR 35 1HD TYR 35 -6.268 -5.117 0.175 234 HD2 TYR 35 2HD TYR 35 -2.883 -2.929 -1.361 235 HE1 TYR 35 1HE TYR 35 -5.494 -4.654 2.497 236 HE2 TYR 35 2HE TYR 35 -2.115 -2.485 0.945 237 HH TYR 35 HH TYR 35 -2.712 -2.508 3.124 238 H THR 36 H THR 36 -6.910 -6.761 -2.396 239 HA THR 36 HA THR 36 -6.110 -8.152 -0.034 240 HB THR 36 HB THR 36 -8.314 -9.443 -0.465 241 HG1 THR 36 1HG THR 36 -9.668 -8.395 -1.935 242 1HG2 THR 36 1HG2 THR 36 -9.616 -7.524 0.306 243 2HG2 THR 36 2HG2 THR 36 -8.031 -7.558 1.102 244 3HG2 THR 36 3HG2 THR 36 -8.334 -6.405 -0.219 245 H ALA 37 H ALA 37 -5.521 -9.059 -3.304 246 HA ALA 37 HA ALA 37 -4.825 -11.816 -2.372 247 1HB ALA 37 1HB ALA 37 -5.313 -12.583 -4.650 248 2HB ALA 37 2HB ALA 37 -6.731 -11.797 -3.929 249 3HB ALA 37 3HB ALA 37 -5.746 -10.928 -5.128 250 H GLU 38 H GLU 38 -3.481 -8.905 -3.606 251 HA GLU 38 HA GLU 38 -0.931 -10.325 -4.346 252 1HB GLU 38 2HB GLU 38 -2.189 -7.734 -5.309 253 2HB GLU 38 3HB GLU 38 -0.498 -8.132 -5.607 254 1HG GLU 38 2HG GLU 38 -2.875 -9.808 -6.513 255 2HG GLU 38 3HG GLU 38 -1.976 -8.675 -7.518 256 H CYS 39 H CYS 39 -2.223 -7.705 -2.304 257 HA CYS 39 HA CYS 39 0.576 -7.070 -1.474 258 1HB CYS 39 2HB CYS 39 -1.604 -5.073 -1.181 259 2HB CYS 39 3HB CYS 39 0.109 -4.841 -1.462 260 H LYS 40 H LYS 40 -2.533 -7.954 -0.254 261 HA LYS 40 HA LYS 40 -2.978 -6.897 2.090 262 1HB LYS 40 2HB LYS 40 -4.283 -8.684 1.057 263 2HB LYS 40 3HB LYS 40 -3.131 -9.882 1.594 264 1HG LYS 40 2HG LYS 40 -4.969 -9.973 3.088 265 2HG LYS 40 3HG LYS 40 -3.650 -9.212 3.991 266 1HD LYS 40 2HD LYS 40 -4.668 -6.976 3.576 267 2HD LYS 40 3HD LYS 40 -5.966 -7.757 2.638 268 1HE LYS 40 2HE LYS 40 -6.641 -9.042 4.648 269 2HE LYS 40 3HE LYS 40 -5.314 -8.327 5.572 270 1HZ LYS 40 1HZ LYS 40 -7.595 -6.804 4.421 271 2HZ LYS 40 2HZ LYS 40 -7.408 -7.178 5.996 272 3HZ LYS 40 3HZ LYS 40 -6.366 -6.147 5.283 273 HA PRO 41 HA PRO 41 1.025 -7.575 4.054 274 1HB PRO 41 2HB PRO 41 0.993 -5.525 5.872 275 2HB PRO 41 3HB PRO 41 1.227 -5.286 4.112 276 1HG PRO 41 2HG PRO 41 -1.333 -4.978 5.691 277 2HG PRO 41 3HG PRO 41 -0.631 -3.879 4.452 278 1HD PRO 41 2HD PRO 41 -2.580 -5.690 3.872 279 2HD PRO 41 3HD PRO 41 -1.306 -5.237 2.697 280 H GLN 42 H GLN 42 1.847 -8.421 5.901 281 HA GLN 42 HA GLN 42 1.699 -10.249 7.295 282 1HB GLN 42 2HB GLN 42 1.752 -9.400 9.585 283 2HB GLN 42 3HB GLN 42 2.708 -8.434 8.459 284 1HG GLN 42 2HG GLN 42 1.108 -6.646 8.440 285 2HG GLN 42 3HG GLN 42 -0.102 -7.597 9.296 286 1HE2 GLN 42 2HE2 GLN 42 1.463 -4.952 9.946 287 2HE2 GLN 42 1HE2 GLN 42 1.922 -5.278 11.628 288 H VAL 43 H VAL 43 -0.582 -10.726 6.034 289 HA VAL 43 HA VAL 43 -2.967 -10.744 7.518 290 HB VAL 43 HB VAL 43 -2.812 -11.142 5.115 291 1HG1 VAL 43 1HG1 VAL 43 -2.342 -13.308 4.149 292 2HG1 VAL 43 2HG1 VAL 43 -0.915 -12.747 5.032 293 3HG1 VAL 43 3HG1 VAL 43 -1.965 -13.996 5.738 294 1HG2 VAL 43 1HG2 VAL 43 -4.284 -13.382 6.553 295 2HG2 VAL 43 2HG2 VAL 43 -4.864 -11.709 6.364 296 3HG2 VAL 43 3HG2 VAL 43 -4.631 -12.732 4.939 297 H THR 44 H THR 44 -3.873 -11.972 9.061 298 HA THR 44 HA THR 44 -2.710 -14.467 10.062 299 HB THR 44 HB THR 44 -1.145 -12.742 10.897 300 HG1 THR 44 1HG THR 44 -1.126 -13.520 12.941 301 1HG2 THR 44 1HG2 THR 44 -3.504 -11.684 12.509 302 2HG2 THR 44 2HG2 THR 44 -1.800 -11.195 12.664 303 3HG2 THR 44 3HG2 THR 44 -2.689 -10.830 11.183 304 H ARG 45 H ARG 45 -3.763 -14.887 12.352 305 HA ARG 45 HA ARG 45 -6.572 -15.261 11.826 306 1HB ARG 45 2HB ARG 45 -6.641 -16.448 13.904 307 2HB ARG 45 3HB ARG 45 -5.162 -16.880 13.055 308 1HG ARG 45 2HG ARG 45 -3.849 -15.384 14.566 309 2HG ARG 45 3HG ARG 45 -5.353 -14.916 15.385 310 1HD ARG 45 2HD ARG 45 -5.703 -17.449 15.801 311 2HD ARG 45 3HD ARG 45 -4.010 -17.646 15.360 312 HE ARG 45 HE ARG 45 -5.154 -16.372 17.791 313 1HH1 ARG 45 1HH2 ARG 45 -2.120 -16.946 16.107 314 2HH1 ARG 45 2HH2 ARG 45 -1.204 -16.637 17.559 315 1HH2 ARG 45 2HH1 ARG 45 -4.037 -15.969 19.446 316 2HH2 ARG 45 1HH1 ARG 45 -2.276 -16.086 19.467 317 H GLY 46 H GLY 46 -8.374 -14.684 13.121 318 1HA GLY 46 2HA GLY 46 -8.550 -11.851 13.722 319 2HA GLY 46 3HA GLY 46 -9.848 -13.039 13.808 320 H ASP 47 H ASP 47 -6.770 -13.065 15.569 321 HA ASP 47 HA ASP 47 -8.074 -12.633 18.205 322 1HB ASP 47 2HB ASP 47 -8.347 -14.997 17.749 323 2HB ASP 47 3HB ASP 47 -6.685 -15.152 17.229 324 H VAL 48 H VAL 48 -5.885 -11.522 16.319 325 HA VAL 48 HA VAL 48 -4.037 -10.584 18.409 326 HB VAL 48 HB VAL 48 -2.024 -10.950 17.045 327 1HG1 VAL 48 1HG1 VAL 48 -2.593 -12.576 18.817 328 2HG1 VAL 48 2HG1 VAL 48 -3.410 -13.586 17.603 329 3HG1 VAL 48 3HG1 VAL 48 -1.665 -13.290 17.486 330 1HG2 VAL 48 1HG2 VAL 48 -3.731 -12.741 15.269 331 2HG2 VAL 48 2HG2 VAL 48 -3.075 -11.156 14.808 332 3HG2 VAL 48 3HG2 VAL 48 -1.979 -12.497 15.168 333 H PHE 49 H PHE 49 -2.423 -8.925 17.130 334 HA PHE 49 HA PHE 49 -4.006 -7.299 15.209 335 1HB PHE 49 2HB PHE 49 -4.511 -6.562 17.540 336 2HB PHE 49 3HB PHE 49 -2.791 -6.250 17.793 337 HD1 PHE 49 1HD PHE 49 -5.503 -5.402 15.285 338 HD2 PHE 49 2HD PHE 49 -2.151 -4.000 17.607 339 HE1 PHE 49 1HE PHE 49 -5.802 -3.121 14.346 340 HE2 PHE 49 2HE PHE 49 -2.442 -1.725 16.657 341 HZ PHE 49 HZ PHE 49 -4.267 -1.283 15.024 342 H THR 50 H THR 50 -2.707 -5.477 14.291 343 HA THR 50 HA THR 50 -0.366 -6.611 13.050 344 HB THR 50 HB THR 50 -0.422 -4.410 11.771 345 HG1 THR 50 1HG THR 50 -2.227 -3.127 12.114 346 1HG2 THR 50 1HG2 THR 50 -3.072 -5.912 11.908 347 2HG2 THR 50 2HG2 THR 50 -2.461 -4.937 10.554 348 3HG2 THR 50 3HG2 THR 50 -1.642 -6.442 10.999 349 H MET 51 H MET 51 -0.519 -4.923 15.911 350 HA MET 51 HA MET 51 1.654 -3.127 15.903 351 1HB MET 51 2HB MET 51 1.677 -3.408 18.323 352 2HB MET 51 3HB MET 51 0.040 -3.233 17.701 353 1HG MET 51 2HG MET 51 -0.139 -5.791 17.788 354 2HG MET 51 3HG MET 51 1.390 -5.778 18.681 355 1HE MET 51 1HE MET 51 1.089 -3.201 20.614 356 2HE MET 51 2HE MET 51 0.420 -4.020 22.039 357 3HE MET 51 3HE MET 51 1.704 -4.802 21.091 Start of MODEL 15 1 1H ASP 1 1H ASP 1 2.576 -6.354 -21.229 2 2H ASP 1 2H ASP 1 3.515 -7.677 -21.458 3 3H ASP 1 3H ASP 1 2.068 -7.819 -20.696 4 HA ASP 1 HA ASP 1 3.902 -7.918 -19.127 5 1HB ASP 1 2HB ASP 1 5.295 -5.998 -18.722 6 2HB ASP 1 3HB ASP 1 5.430 -6.453 -20.423 7 H GLN 2 H GLN 2 3.862 -6.740 -16.977 8 HA GLN 2 HA GLN 2 1.386 -5.257 -16.369 9 1HB GLN 2 2HB GLN 2 0.749 -7.680 -16.467 10 2HB GLN 2 3HB GLN 2 1.995 -8.051 -15.285 11 1HG GLN 2 2HG GLN 2 -0.242 -8.028 -14.288 12 2HG GLN 2 3HG GLN 2 0.784 -6.813 -13.561 13 1HE2 GLN 2 2HE2 GLN 2 -0.481 -4.990 -13.080 14 2HE2 GLN 2 1HE2 GLN 2 -1.726 -4.370 -14.171 15 H GLU 3 H GLU 3 1.375 -4.418 -14.201 16 HA GLU 3 HA GLU 3 3.868 -4.712 -12.582 17 1HB GLU 3 2HB GLU 3 3.770 -2.511 -13.777 18 2HB GLU 3 3HB GLU 3 2.259 -2.148 -12.918 19 1HG GLU 3 2HG GLU 3 3.452 -2.279 -10.755 20 2HG GLU 3 3HG GLU 3 4.941 -2.744 -11.582 21 H SER 4 H SER 4 3.562 -4.750 -10.334 22 HA SER 4 HA SER 4 0.883 -4.856 -9.117 23 1HB SER 4 2HB SER 4 0.956 -7.211 -8.600 24 2HB SER 4 3HB SER 4 1.184 -7.057 -10.352 25 HG SER 4 HG SER 4 2.703 -8.498 -9.494 26 H CYS 5 H CYS 5 1.208 -5.947 -6.826 27 HA CYS 5 HA CYS 5 3.005 -4.327 -5.325 28 1HB CYS 5 2HB CYS 5 0.759 -5.310 -4.707 29 2HB CYS 5 3HB CYS 5 1.585 -6.860 -4.437 30 H LYS 6 H LYS 6 4.008 -6.984 -7.138 31 HA LYS 6 HA LYS 6 5.346 -8.554 -5.162 32 1HB LYS 6 2HB LYS 6 4.549 -9.293 -7.388 33 2HB LYS 6 3HB LYS 6 5.888 -8.413 -8.155 34 1HG LYS 6 2HG LYS 6 7.526 -9.866 -7.111 35 2HG LYS 6 3HG LYS 6 6.314 -10.524 -5.990 36 1HD LYS 6 2HD LYS 6 6.753 -12.166 -7.702 37 2HD LYS 6 3HD LYS 6 5.096 -11.550 -7.864 38 1HE LYS 6 2HE LYS 6 5.832 -10.057 -9.711 39 2HE LYS 6 3HE LYS 6 7.496 -10.620 -9.517 40 1HZ LYS 6 1HZ LYS 6 6.744 -12.853 -10.139 41 2HZ LYS 6 2HZ LYS 6 5.202 -12.338 -10.309 42 3HZ LYS 6 3HZ LYS 6 6.363 -11.793 -11.317 43 H GLY 7 H GLY 7 6.701 -7.607 -3.859 44 1HA GLY 7 2HA GLY 7 8.979 -7.033 -3.299 45 2HA GLY 7 3HA GLY 7 9.155 -6.206 -4.853 46 H ARG 8 H ARG 8 6.138 -5.507 -3.336 47 HA ARG 8 HA ARG 8 7.154 -2.845 -2.357 48 1HB ARG 8 2HB ARG 8 4.650 -3.429 -3.987 49 2HB ARG 8 3HB ARG 8 5.170 -1.865 -3.388 50 1HG ARG 8 2HG ARG 8 7.288 -2.122 -4.786 51 2HG ARG 8 3HG ARG 8 6.546 -3.566 -5.496 52 1HD ARG 8 2HD ARG 8 6.165 -1.688 -6.964 53 2HD ARG 8 3HD ARG 8 4.611 -2.180 -6.252 54 HE ARG 8 HE ARG 8 5.659 -0.192 -4.547 55 1HH1 ARG 8 2HH1 ARG 8 4.635 -0.163 -7.906 56 2HH1 ARG 8 1HH1 ARG 8 4.233 1.529 -7.830 57 1HH2 ARG 8 1HH2 ARG 8 5.073 1.785 -4.465 58 2HH2 ARG 8 2HH2 ARG 8 4.503 2.656 -5.886 59 H CYS 9 H CYS 9 4.683 -5.299 -1.744 60 HA CYS 9 HA CYS 9 2.779 -4.098 -0.410 61 1HB CYS 9 2HB CYS 9 3.879 -6.787 0.410 62 2HB CYS 9 3HB CYS 9 2.213 -6.218 0.509 63 H THR 10 H THR 10 5.567 -3.346 1.011 64 HA THR 10 HA THR 10 4.228 -2.606 3.509 65 HB THR 10 HB THR 10 6.187 -3.274 4.930 66 HG1 THR 10 1HG THR 10 6.828 -4.944 2.723 67 1HG2 THR 10 1HG2 THR 10 5.603 -5.576 5.254 68 2HG2 THR 10 2HG2 THR 10 4.129 -4.655 4.909 69 3HG2 THR 10 3HG2 THR 10 4.850 -5.684 3.650 70 H GLU 11 H GLU 11 5.409 -1.391 0.952 71 HA GLU 11 HA GLU 11 7.812 -0.030 1.499 72 1HB GLU 11 2HB GLU 11 7.243 1.371 -0.400 73 2HB GLU 11 3HB GLU 11 7.011 -0.339 -0.750 74 1HG GLU 11 2HG GLU 11 4.552 -0.051 -0.604 75 2HG GLU 11 3HG GLU 11 4.771 1.610 -0.033 76 H GLY 12 H GLY 12 4.792 0.732 2.844 77 1HA GLY 12 2HA GLY 12 4.503 2.409 4.526 78 2HA GLY 12 3HA GLY 12 5.694 3.439 3.739 79 H PHE 13 H PHE 13 3.350 4.498 4.530 80 HA PHE 13 HA PHE 13 1.595 4.751 2.127 81 1HB PHE 13 2HB PHE 13 0.289 4.049 3.895 82 2HB PHE 13 3HB PHE 13 1.178 5.010 5.093 83 HD1 PHE 13 1HD PHE 13 -1.323 5.156 2.327 84 HD2 PHE 13 2HD PHE 13 0.581 7.295 5.560 85 HE1 PHE 13 1HE PHE 13 -3.021 6.953 2.154 86 HE2 PHE 13 2HE PHE 13 -1.093 9.113 5.348 87 HZ PHE 13 HZ PHE 13 -2.886 8.947 3.642 88 H ASN 14 H ASN 14 1.288 6.543 1.130 89 HA ASN 14 HA ASN 14 1.543 9.177 2.181 90 1HB ASN 14 2HB ASN 14 3.959 8.925 1.774 91 2HB ASN 14 3HB ASN 14 3.657 8.333 0.135 92 1HD2 ASN 14 2HD2 ASN 14 5.258 10.201 -0.231 93 2HD2 ASN 14 1HD2 ASN 14 4.514 11.776 -0.509 94 H VAL 15 H VAL 15 -0.510 9.469 1.468 95 HA VAL 15 HA VAL 15 -1.701 8.147 -0.642 96 HB VAL 15 HB VAL 15 -2.732 9.087 1.345 97 1HG1 VAL 15 1HG1 VAL 15 -3.011 11.690 -0.129 98 2HG1 VAL 15 2HG1 VAL 15 -3.711 11.227 1.449 99 3HG1 VAL 15 3HG1 VAL 15 -1.959 11.380 1.282 100 1HG2 VAL 15 1HG2 VAL 15 -4.915 9.273 0.459 101 2HG2 VAL 15 2HG2 VAL 15 -4.288 9.626 -1.168 102 3HG2 VAL 15 3HG2 VAL 15 -4.004 8.033 -0.413 103 H ASP 16 H ASP 16 0.357 10.796 -1.158 104 HA ASP 16 HA ASP 16 -0.736 11.608 -3.751 105 1HB ASP 16 2HB ASP 16 1.910 12.049 -2.342 106 2HB ASP 16 3HB ASP 16 1.586 12.636 -3.977 107 H LYS 17 H LYS 17 1.170 8.860 -2.734 108 HA LYS 17 HA LYS 17 2.596 8.395 -5.214 109 1HB LYS 17 2HB LYS 17 1.810 6.471 -2.985 110 2HB LYS 17 3HB LYS 17 2.876 6.055 -4.333 111 1HG LYS 17 2HG LYS 17 4.464 7.811 -3.638 112 2HG LYS 17 3HG LYS 17 3.442 8.195 -2.245 113 1HD LYS 17 2HD LYS 17 4.840 5.524 -2.788 114 2HD LYS 17 3HD LYS 17 5.334 6.768 -1.638 115 1HE LYS 17 2HE LYS 17 4.283 5.468 -0.147 116 2HE LYS 17 3HE LYS 17 2.855 6.380 -0.672 117 1HZ LYS 17 1HZ LYS 17 2.580 3.921 -0.593 118 2HZ LYS 17 2HZ LYS 17 2.269 4.492 -2.107 119 3HZ LYS 17 3HZ LYS 17 3.678 3.729 -1.780 120 H LYS 18 H LYS 18 2.314 6.730 -6.724 121 HA LYS 18 HA LYS 18 -0.268 6.598 -7.956 122 1HB LYS 18 2HB LYS 18 2.427 5.355 -8.483 123 2HB LYS 18 3HB LYS 18 1.014 4.718 -9.328 124 1HG LYS 18 2HG LYS 18 2.066 6.344 -10.726 125 2HG LYS 18 3HG LYS 18 0.496 6.975 -10.197 126 1HD LYS 18 2HD LYS 18 1.661 8.338 -8.463 127 2HD LYS 18 3HD LYS 18 3.224 7.761 -9.050 128 1HE LYS 18 2HE LYS 18 1.175 9.304 -10.714 129 2HE LYS 18 3HE LYS 18 2.530 10.048 -9.864 130 1HZ LYS 18 1HZ LYS 18 2.794 8.050 -12.046 131 2HZ LYS 18 2HZ LYS 18 3.095 9.645 -12.172 132 3HZ LYS 18 3HZ LYS 18 4.048 8.716 -11.231 133 H CYS 19 H CYS 19 1.159 4.460 -5.618 134 HA CYS 19 HA CYS 19 -1.463 3.181 -5.359 135 1HB CYS 19 2HB CYS 19 -0.817 0.971 -5.291 136 2HB CYS 19 3HB CYS 19 0.021 1.566 -6.720 137 H GLN 20 H GLN 20 -1.813 2.317 -3.302 138 HA GLN 20 HA GLN 20 0.115 3.102 -1.147 139 1HB GLN 20 2HB GLN 20 -2.899 2.756 -0.984 140 2HB GLN 20 3HB GLN 20 -1.813 3.205 0.348 141 1HG GLN 20 2HG GLN 20 -2.580 4.840 -2.086 142 2HG GLN 20 3HG GLN 20 -2.862 5.214 -0.382 143 1HE2 GLN 20 2HE2 GLN 20 -1.170 6.445 -2.856 144 2HE2 GLN 20 1HE2 GLN 20 0.210 6.995 -1.901 145 H CYS 21 H CYS 21 0.953 1.043 -2.343 146 HA CYS 21 HA CYS 21 -0.204 -1.540 -1.716 147 1HB CYS 21 2HB CYS 21 2.614 -0.744 -2.607 148 2HB CYS 21 3HB CYS 21 1.901 -2.352 -2.652 149 H ASP 22 H ASP 22 -0.308 -0.450 0.651 150 HA ASP 22 HA ASP 22 1.709 -1.669 2.425 151 1HB ASP 22 2HB ASP 22 2.641 0.527 1.720 152 2HB ASP 22 3HB ASP 22 1.161 1.329 2.266 153 H GLU 23 H GLU 23 1.136 -1.145 4.732 154 HA GLU 23 HA GLU 23 -1.143 -2.490 5.421 155 1HB GLU 23 2HB GLU 23 0.403 -0.559 7.187 156 2HB GLU 23 3HB GLU 23 -0.533 -1.960 7.712 157 1HG GLU 23 2HG GLU 23 1.061 -3.442 6.450 158 2HG GLU 23 3HG GLU 23 2.050 -2.023 6.086 159 H LEU 24 H LEU 24 -1.409 0.828 4.592 160 HA LEU 24 HA LEU 24 -3.757 1.257 6.417 161 1HB LEU 24 2HB LEU 24 -1.734 3.211 5.266 162 2HB LEU 24 3HB LEU 24 -3.155 3.675 6.195 163 HG LEU 24 HG LEU 24 -0.851 1.988 7.265 164 1HD1 LEU 24 1HD1 LEU 24 -1.668 4.872 7.819 165 2HD1 LEU 24 2HD1 LEU 24 -0.337 3.986 8.600 166 3HD1 LEU 24 3HD1 LEU 24 -0.259 4.350 6.871 167 1HD2 LEU 24 1HD2 LEU 24 -1.933 2.421 9.483 168 2HD2 LEU 24 2HD2 LEU 24 -3.337 3.113 8.637 169 3HD2 LEU 24 3HD2 LEU 24 -2.919 1.396 8.438 170 H CYS 25 H CYS 25 -3.227 0.635 3.137 171 HA CYS 25 HA CYS 25 -4.667 2.819 2.019 172 1HB CYS 25 2HB CYS 25 -4.616 1.661 -0.005 173 2HB CYS 25 3HB CYS 25 -3.121 1.312 0.874 174 H SER 26 H SER 26 -6.033 -0.167 3.378 175 HA SER 26 HA SER 26 -8.516 -0.142 1.974 176 1HB SER 26 2HB SER 26 -9.324 -1.560 3.810 177 2HB SER 26 3HB SER 26 -7.740 -2.078 3.211 178 HG SER 26 HG SER 26 -7.836 -2.018 5.522 179 H TYR 27 H TYR 27 -7.432 1.684 4.745 180 HA TYR 27 HA TYR 27 -9.940 2.915 5.477 181 1HB TYR 27 2HB TYR 27 -8.348 2.723 7.144 182 2HB TYR 27 3HB TYR 27 -7.026 3.200 6.114 183 HD1 TYR 27 1HD TYR 27 -10.176 4.733 7.539 184 HD2 TYR 27 2HD TYR 27 -6.017 5.199 6.490 185 HE1 TYR 27 1HE TYR 27 -10.195 7.054 8.465 186 HE2 TYR 27 2HE TYR 27 -6.038 7.512 7.391 187 HH TYR 27 HH TYR 27 -7.290 9.153 8.408 188 H TYR 28 H TYR 28 -7.768 3.536 2.823 189 HA TYR 28 HA TYR 28 -9.035 6.210 2.311 190 1HB TYR 28 2HB TYR 28 -6.326 5.070 1.561 191 2HB TYR 28 3HB TYR 28 -6.999 6.528 0.833 192 HD1 TYR 28 1HD TYR 28 -5.161 5.243 3.661 193 HD2 TYR 28 2HD TYR 28 -7.619 8.507 2.273 194 HE1 TYR 28 1HE TYR 28 -4.198 6.724 5.416 195 HE2 TYR 28 2HE TYR 28 -6.667 9.981 4.039 196 HH TYR 28 HH TYR 28 -5.188 10.157 5.774 197 H GLN 29 H GLN 29 -8.814 3.003 1.038 198 HA GLN 29 HA GLN 29 -9.451 1.987 -0.845 199 1HB GLN 29 2HB GLN 29 -11.414 4.256 -1.308 200 2HB GLN 29 3HB GLN 29 -11.475 2.618 -1.941 201 1HG GLN 29 2HG GLN 29 -13.005 2.488 -0.227 202 2HG GLN 29 3HG GLN 29 -11.555 1.831 0.536 203 1HE2 GLN 29 2HE2 GLN 29 -11.351 2.612 2.659 204 2HE2 GLN 29 1HE2 GLN 29 -11.851 4.236 3.147 205 H SER 30 H SER 30 -7.200 3.797 -1.050 206 HA SER 30 HA SER 30 -7.153 4.604 -3.919 207 1HB SER 30 2HB SER 30 -5.212 6.000 -3.137 208 2HB SER 30 3HB SER 30 -6.763 6.394 -2.362 209 HG SER 30 HG SER 30 -5.126 6.236 -0.808 210 H CYS 31 H CYS 31 -6.687 1.842 -2.745 211 HA CYS 31 HA CYS 31 -3.845 1.310 -2.861 212 1HB CYS 31 2HB CYS 31 -5.985 0.278 -1.505 213 2HB CYS 31 3HB CYS 31 -5.836 -0.916 -2.801 214 H CYS 32 H CYS 32 -3.275 -0.953 -3.925 215 HA CYS 32 HA CYS 32 -3.353 -0.842 -6.811 216 1HB CYS 32 2HB CYS 32 -2.507 -3.201 -6.597 217 2HB CYS 32 3HB CYS 32 -1.543 -2.049 -5.667 218 H THR 33 H THR 33 -4.416 -2.501 -8.192 219 HA THR 33 HA THR 33 -7.156 -2.429 -7.997 220 HB THR 33 HB THR 33 -5.698 -4.611 -9.514 221 HG1 THR 33 1HG THR 33 -5.319 -3.052 -11.093 222 1HG2 THR 33 1HG2 THR 33 -8.121 -2.871 -10.192 223 2HG2 THR 33 2HG2 THR 33 -7.373 -4.065 -11.278 224 3HG2 THR 33 3HG2 THR 33 -8.157 -4.603 -9.792 225 H ASP 34 H ASP 34 -5.135 -4.961 -6.593 226 HA ASP 34 HA ASP 34 -7.566 -6.436 -5.654 227 1HB ASP 34 2HB ASP 34 -5.150 -7.578 -7.110 228 2HB ASP 34 3HB ASP 34 -6.376 -8.559 -6.292 229 H TYR 35 H TYR 35 -5.771 -4.656 -4.106 230 HA TYR 35 HA TYR 35 -3.803 -5.611 -2.635 231 1HB TYR 35 2HB TYR 35 -4.763 -3.427 -2.219 232 2HB TYR 35 3HB TYR 35 -6.202 -4.155 -1.522 233 HD1 TYR 35 1HD TYR 35 -2.561 -3.403 -0.896 234 HD2 TYR 35 2HD TYR 35 -6.282 -4.892 0.748 235 HE1 TYR 35 1HE TYR 35 -1.646 -3.215 1.397 236 HE2 TYR 35 2HE TYR 35 -5.355 -4.662 3.036 237 HH TYR 35 HH TYR 35 -3.599 -3.976 4.307 238 H THR 36 H THR 36 -7.128 -6.552 -1.579 239 HA THR 36 HA THR 36 -6.203 -8.122 0.621 240 HB THR 36 HB THR 36 -8.556 -9.080 0.529 241 HG1 THR 36 1HG THR 36 -9.972 -8.011 -0.861 242 1HG2 THR 36 1HG2 THR 36 -7.878 -7.061 1.871 243 2HG2 THR 36 2HG2 THR 36 -8.341 -6.035 0.496 244 3HG2 THR 36 3HG2 THR 36 -9.566 -7.017 1.330 245 H ALA 37 H ALA 37 -6.021 -8.951 -2.652 246 HA ALA 37 HA ALA 37 -5.654 -11.850 -1.962 247 1HB ALA 37 1HB ALA 37 -6.552 -10.592 -4.584 248 2HB ALA 37 2HB ALA 37 -6.309 -12.326 -4.280 249 3HB ALA 37 3HB ALA 37 -7.591 -11.448 -3.422 250 H GLU 38 H GLU 38 -4.276 -9.074 -3.719 251 HA GLU 38 HA GLU 38 -1.874 -10.711 -4.455 252 1HB GLU 38 2HB GLU 38 -3.063 -8.242 -5.762 253 2HB GLU 38 3HB GLU 38 -1.649 -9.128 -6.332 254 1HG GLU 38 2HG GLU 38 -4.504 -10.189 -6.212 255 2HG GLU 38 3HG GLU 38 -3.638 -9.670 -7.650 256 H CYS 39 H CYS 39 -2.725 -7.868 -2.567 257 HA CYS 39 HA CYS 39 0.157 -7.101 -2.501 258 1HB CYS 39 2HB CYS 39 -1.963 -5.106 -2.002 259 2HB CYS 39 3HB CYS 39 -0.376 -4.804 -2.560 260 H LYS 40 H LYS 40 -2.189 -8.436 -0.652 261 HA LYS 40 HA LYS 40 -2.223 -6.910 1.649 262 1HB LYS 40 2HB LYS 40 -3.003 -8.986 2.814 263 2HB LYS 40 3HB LYS 40 -3.941 -8.411 1.446 264 1HG LYS 40 2HG LYS 40 -3.245 -10.182 0.030 265 2HG LYS 40 3HG LYS 40 -1.904 -10.648 1.103 266 1HD LYS 40 2HD LYS 40 -3.423 -11.390 2.820 267 2HD LYS 40 3HD LYS 40 -4.832 -10.796 1.922 268 1HE LYS 40 2HE LYS 40 -4.327 -12.415 0.096 269 2HE LYS 40 3HE LYS 40 -2.931 -13.004 1.015 270 1HZ LYS 40 1HZ LYS 40 -4.848 -14.423 1.415 271 2HZ LYS 40 2HZ LYS 40 -4.496 -13.624 2.810 272 3HZ LYS 40 3HZ LYS 40 -5.767 -13.158 1.886 273 HA PRO 41 HA PRO 41 1.782 -7.697 3.669 274 1HB PRO 41 2HB PRO 41 0.135 -6.751 6.008 275 2HB PRO 41 3HB PRO 41 1.770 -6.231 5.502 276 1HG PRO 41 2HG PRO 41 -0.454 -4.699 5.039 277 2HG PRO 41 3HG PRO 41 0.884 -4.793 3.848 278 1HD PRO 41 2HD PRO 41 -1.798 -6.145 3.720 279 2HD PRO 41 3HD PRO 41 -0.771 -5.478 2.434 280 H GLN 42 H GLN 42 2.464 -9.150 5.477 281 HA GLN 42 HA GLN 42 0.815 -11.542 5.552 282 1HB GLN 42 2HB GLN 42 3.579 -10.997 6.687 283 2HB GLN 42 3HB GLN 42 2.744 -12.567 6.697 284 1HG GLN 42 2HG GLN 42 2.530 -12.375 4.164 285 2HG GLN 42 3HG GLN 42 3.613 -10.984 4.246 286 1HE2 GLN 42 2HE2 GLN 42 5.748 -11.561 3.813 287 2HE2 GLN 42 1HE2 GLN 42 6.448 -13.139 4.191 288 H VAL 43 H VAL 43 -0.691 -9.767 6.784 289 HA VAL 43 HA VAL 43 -0.939 -10.953 9.498 290 HB VAL 43 HB VAL 43 -2.064 -8.916 10.311 291 1HG1 VAL 43 1HG1 VAL 43 0.384 -9.142 10.624 292 2HG1 VAL 43 2HG1 VAL 43 0.651 -8.215 9.130 293 3HG1 VAL 43 3HG1 VAL 43 -0.148 -7.455 10.519 294 1HG2 VAL 43 1HG2 VAL 43 -2.962 -8.051 8.163 295 2HG2 VAL 43 2HG2 VAL 43 -2.031 -6.821 9.027 296 3HG2 VAL 43 3HG2 VAL 43 -1.316 -7.652 7.633 297 H THR 44 H THR 44 -1.881 -11.464 6.781 298 HA THR 44 HA THR 44 -4.601 -12.437 7.365 299 HB THR 44 HB THR 44 -4.228 -10.786 4.839 300 HG1 THR 44 1HG THR 44 -5.180 -9.936 7.359 301 1HG2 THR 44 1HG2 THR 44 -6.185 -12.328 4.878 302 2HG2 THR 44 2HG2 THR 44 -6.713 -11.620 6.416 303 3HG2 THR 44 3HG2 THR 44 -6.700 -10.639 4.933 304 H ARG 45 H ARG 45 -2.285 -13.824 7.220 305 HA ARG 45 HA ARG 45 -2.261 -15.274 4.605 306 1HB ARG 45 2HB ARG 45 -0.507 -13.558 4.636 307 2HB ARG 45 3HB ARG 45 0.142 -14.167 6.152 308 1HG ARG 45 2HG ARG 45 -0.030 -16.008 3.758 309 2HG ARG 45 3HG ARG 45 1.222 -14.762 3.797 310 1HD ARG 45 2HD ARG 45 2.272 -15.657 5.725 311 2HD ARG 45 3HD ARG 45 0.912 -16.694 6.114 312 HE ARG 45 HE ARG 45 1.436 -18.160 4.307 313 1HH1 ARG 45 2HH1 ARG 45 4.062 -15.797 4.770 314 2HH1 ARG 45 1HH1 ARG 45 5.091 -16.748 3.730 315 1HH2 ARG 45 2HH2 ARG 45 2.836 -19.021 2.785 316 2HH2 ARG 45 1HH2 ARG 45 4.436 -18.385 2.696 317 H GLY 46 H GLY 46 -1.654 -17.404 4.678 318 1HA GLY 46 2HA GLY 46 -0.658 -18.888 6.874 319 2HA GLY 46 3HA GLY 46 -2.422 -18.964 6.948 320 H ASP 47 H ASP 47 -2.660 -18.886 3.958 321 HA ASP 47 HA ASP 47 -1.451 -21.464 3.094 322 1HB ASP 47 2HB ASP 47 -3.717 -21.850 4.040 323 2HB ASP 47 3HB ASP 47 -4.387 -20.706 2.876 324 H VAL 48 H VAL 48 -0.214 -19.363 2.337 325 HA VAL 48 HA VAL 48 -0.928 -18.788 -0.502 326 HB VAL 48 HB VAL 48 0.075 -16.669 1.445 327 1HG1 VAL 48 1HG1 VAL 48 -0.964 -16.465 -1.417 328 2HG1 VAL 48 2HG1 VAL 48 -0.556 -15.089 -0.373 329 3HG1 VAL 48 3HG1 VAL 48 0.712 -16.190 -0.885 330 1HG2 VAL 48 1HG2 VAL 48 -2.255 -17.158 2.053 331 2HG2 VAL 48 2HG2 VAL 48 -2.156 -15.602 1.236 332 3HG2 VAL 48 3HG2 VAL 48 -2.746 -17.027 0.350 333 H PHE 49 H PHE 49 0.897 -18.498 -1.844 334 HA PHE 49 HA PHE 49 3.197 -20.027 -1.104 335 1HB PHE 49 2HB PHE 49 2.681 -18.296 -3.554 336 2HB PHE 49 3HB PHE 49 3.917 -19.547 -3.414 337 HD1 PHE 49 1HD PHE 49 3.164 -21.974 -2.943 338 HD2 PHE 49 2HD PHE 49 0.505 -18.882 -4.355 339 HE1 PHE 49 1HE PHE 49 1.580 -23.705 -3.762 340 HE2 PHE 49 2HE PHE 49 -1.076 -20.616 -5.165 341 HZ PHE 49 HZ PHE 49 -0.542 -23.027 -4.871 342 H THR 50 H THR 50 2.718 -16.728 -0.488 343 HA THR 50 HA THR 50 5.257 -15.597 -1.134 344 HB THR 50 HB THR 50 3.127 -14.364 -0.683 345 HG1 THR 50 1HG THR 50 4.846 -13.103 -0.789 346 1HG2 THR 50 1HG2 THR 50 2.523 -13.707 1.553 347 2HG2 THR 50 2HG2 THR 50 2.501 -15.477 1.482 348 3HG2 THR 50 3HG2 THR 50 3.861 -14.631 2.258 349 H MET 51 H MET 51 6.782 -14.628 0.508 350 HA MET 51 HA MET 51 7.294 -16.214 2.951 351 1HB MET 51 2HB MET 51 9.285 -16.046 0.654 352 2HB MET 51 3HB MET 51 9.710 -16.504 2.302 353 1HG MET 51 2HG MET 51 7.745 -17.993 0.528 354 2HG MET 51 3HG MET 51 9.423 -18.449 0.821 355 1HE MET 51 1HE MET 51 7.089 -21.160 2.598 356 2HE MET 51 2HE MET 51 6.631 -20.173 1.191 357 3HE MET 51 3HE MET 51 8.258 -20.888 1.287 Start of MODEL 16 1 1H ASP 1 1H ASP 1 -4.361 1.872 -17.568 2 2H ASP 1 2H ASP 1 -4.723 0.331 -17.147 3 3H ASP 1 3H ASP 1 -5.379 1.577 -16.317 4 HA ASP 1 HA ASP 1 -2.523 0.872 -16.381 5 1HB ASP 1 2HB ASP 1 -2.955 3.325 -16.216 6 2HB ASP 1 3HB ASP 1 -3.923 3.037 -14.757 7 H GLN 2 H GLN 2 -1.708 -0.211 -14.562 8 HA GLN 2 HA GLN 2 -3.527 -1.090 -12.415 9 1HB GLN 2 2HB GLN 2 -3.776 -2.708 -14.360 10 2HB GLN 2 3HB GLN 2 -2.053 -3.083 -14.202 11 1HG GLN 2 2HG GLN 2 -2.485 -3.872 -11.858 12 2HG GLN 2 3HG GLN 2 -4.202 -3.494 -12.082 13 1HE2 GLN 2 2HE2 GLN 2 -3.827 -6.020 -11.276 14 2HE2 GLN 2 1HE2 GLN 2 -3.955 -7.116 -12.653 15 H GLU 3 H GLU 3 -2.381 -1.628 -10.498 16 HA GLU 3 HA GLU 3 0.509 -1.996 -10.596 17 1HB GLU 3 2HB GLU 3 0.331 0.468 -10.583 18 2HB GLU 3 3HB GLU 3 -0.579 0.398 -9.059 19 1HG GLU 3 2HG GLU 3 1.324 -0.483 -7.875 20 2HG GLU 3 3HG GLU 3 2.164 -0.891 -9.370 21 H SER 4 H SER 4 1.095 -3.422 -9.224 22 HA SER 4 HA SER 4 -0.521 -4.159 -6.847 23 1HB SER 4 2HB SER 4 -0.594 -6.451 -7.585 24 2HB SER 4 3HB SER 4 -1.226 -5.426 -8.890 25 HG SER 4 HG SER 4 0.255 -6.934 -9.724 26 H CYS 5 H CYS 5 0.694 -6.232 -5.931 27 HA CYS 5 HA CYS 5 2.669 -5.279 -4.299 28 1HB CYS 5 2HB CYS 5 1.142 -7.164 -3.982 29 2HB CYS 5 3HB CYS 5 1.995 -8.104 -5.188 30 H LYS 6 H LYS 6 3.363 -6.351 -7.527 31 HA LYS 6 HA LYS 6 5.766 -7.737 -6.948 32 1HB LYS 6 2HB LYS 6 5.069 -6.443 -9.604 33 2HB LYS 6 3HB LYS 6 6.093 -7.859 -9.353 34 1HG LYS 6 2HG LYS 6 3.072 -7.751 -8.852 35 2HG LYS 6 3HG LYS 6 3.832 -8.260 -10.346 36 1HD LYS 6 2HD LYS 6 3.081 -10.159 -9.080 37 2HD LYS 6 3HD LYS 6 4.836 -10.206 -9.254 38 1HE LYS 6 2HE LYS 6 5.212 -9.733 -6.982 39 2HE LYS 6 3HE LYS 6 3.604 -9.018 -6.758 40 1HZ LYS 6 1HZ LYS 6 3.869 -11.284 -5.789 41 2HZ LYS 6 2HZ LYS 6 2.605 -11.129 -6.803 42 3HZ LYS 6 3HZ LYS 6 3.977 -11.906 -7.299 43 H GLY 7 H GLY 7 7.286 -6.720 -5.829 44 1HA GLY 7 2HA GLY 7 9.034 -5.323 -5.276 45 2HA GLY 7 3HA GLY 7 8.963 -4.595 -6.892 46 H ARG 8 H ARG 8 6.229 -4.723 -4.611 47 HA ARG 8 HA ARG 8 6.357 -1.756 -4.182 48 1HB ARG 8 2HB ARG 8 4.974 -2.902 -6.281 49 2HB ARG 8 3HB ARG 8 3.754 -2.953 -5.020 50 1HG ARG 8 2HG ARG 8 3.459 -1.045 -6.403 51 2HG ARG 8 3HG ARG 8 3.862 -0.534 -4.764 52 1HD ARG 8 2HD ARG 8 6.130 -0.835 -6.717 53 2HD ARG 8 3HD ARG 8 4.981 0.492 -6.992 54 HE ARG 8 HE ARG 8 5.519 0.717 -4.318 55 1HH1 ARG 8 1HH2 ARG 8 7.590 0.747 -7.157 56 2HH1 ARG 8 2HH2 ARG 8 8.711 1.882 -6.452 57 1HH2 ARG 8 1HH1 ARG 8 6.983 2.170 -3.480 58 2HH2 ARG 8 2HH1 ARG 8 8.386 2.648 -4.412 59 H CYS 9 H CYS 9 4.862 -4.809 -3.136 60 HA CYS 9 HA CYS 9 2.992 -3.586 -1.351 61 1HB CYS 9 2HB CYS 9 2.811 -6.003 -0.462 62 2HB CYS 9 3HB CYS 9 2.366 -5.603 -2.125 63 H THR 10 H THR 10 2.713 -3.659 0.780 64 HA THR 10 HA THR 10 3.115 -2.956 2.840 65 HB THR 10 HB THR 10 5.404 -4.890 3.185 66 HG1 THR 10 1HG THR 10 4.040 -6.571 3.190 67 1HG2 THR 10 1HG2 THR 10 4.198 -5.379 5.304 68 2HG2 THR 10 2HG2 THR 10 4.542 -3.651 5.187 69 3HG2 THR 10 3HG2 THR 10 2.907 -4.249 4.843 70 H GLU 11 H GLU 11 4.541 -1.477 0.784 71 HA GLU 11 HA GLU 11 7.212 -0.877 1.675 72 1HB GLU 11 2HB GLU 11 7.161 0.874 0.006 73 2HB GLU 11 3HB GLU 11 6.593 -0.655 -0.644 74 1HG GLU 11 2HG GLU 11 4.238 0.144 -0.513 75 2HG GLU 11 3HG GLU 11 4.786 1.648 0.241 76 H GLY 12 H GLY 12 4.192 0.413 2.720 77 1HA GLY 12 2HA GLY 12 4.013 1.777 4.698 78 2HA GLY 12 3HA GLY 12 5.532 2.583 4.304 79 H PHE 13 H PHE 13 2.851 3.637 4.880 80 HA PHE 13 HA PHE 13 1.434 4.402 2.541 81 1HB PHE 13 2HB PHE 13 0.266 4.228 4.573 82 2HB PHE 13 3HB PHE 13 1.425 5.250 5.446 83 HD1 PHE 13 1HD PHE 13 -1.240 5.282 2.807 84 HD2 PHE 13 2HD PHE 13 1.071 7.600 5.622 85 HE1 PHE 13 1HE PHE 13 -2.737 7.219 2.452 86 HE2 PHE 13 2HE PHE 13 -0.424 9.543 5.256 87 HZ PHE 13 HZ PHE 13 -2.333 9.355 3.684 88 H ASN 14 H ASN 14 1.297 6.100 1.349 89 HA ASN 14 HA ASN 14 2.014 8.758 2.009 90 1HB ASN 14 2HB ASN 14 4.331 8.098 1.480 91 2HB ASN 14 3HB ASN 14 3.790 7.414 -0.063 92 1HD2 ASN 14 2HD2 ASN 14 5.766 9.126 -0.396 93 2HD2 ASN 14 1HD2 ASN 14 5.159 10.682 -0.953 94 H VAL 15 H VAL 15 -0.011 9.318 1.384 95 HA VAL 15 HA VAL 15 -1.473 8.021 -0.616 96 HB VAL 15 HB VAL 15 -2.248 9.249 1.402 97 1HG1 VAL 15 1HG1 VAL 15 -3.002 11.489 1.277 98 2HG1 VAL 15 2HG1 VAL 15 -1.255 11.423 1.008 99 3HG1 VAL 15 3HG1 VAL 15 -2.358 11.673 -0.377 100 1HG2 VAL 15 1HG2 VAL 15 -3.727 8.118 -0.085 101 2HG2 VAL 15 2HG2 VAL 15 -4.460 9.583 0.577 102 3HG2 VAL 15 3HG2 VAL 15 -3.874 9.579 -1.104 103 H ASP 16 H ASP 16 0.924 10.331 -1.243 104 HA ASP 16 HA ASP 16 -0.090 11.298 -3.803 105 1HB ASP 16 2HB ASP 16 1.610 12.466 -2.388 106 2HB ASP 16 3HB ASP 16 2.742 11.147 -2.731 107 H LYS 17 H LYS 17 1.390 8.299 -2.758 108 HA LYS 17 HA LYS 17 2.603 7.517 -5.277 109 1HB LYS 17 2HB LYS 17 1.682 5.874 -2.874 110 2HB LYS 17 3HB LYS 17 2.566 5.212 -4.255 111 1HG LYS 17 2HG LYS 17 4.496 6.633 -3.794 112 2HG LYS 17 3HG LYS 17 3.640 7.415 -2.445 113 1HD LYS 17 2HD LYS 17 3.465 5.231 -1.281 114 2HD LYS 17 3HD LYS 17 4.315 4.442 -2.630 115 1HE LYS 17 2HE LYS 17 6.320 5.784 -2.217 116 2HE LYS 17 3HE LYS 17 5.496 6.688 -0.935 117 1HZ LYS 17 1HZ LYS 17 6.123 3.792 -0.916 118 2HZ LYS 17 2HZ LYS 17 6.845 4.926 0.017 119 3HZ LYS 17 3HZ LYS 17 5.271 4.535 0.280 120 H LYS 18 H LYS 18 1.921 6.028 -6.787 121 HA LYS 18 HA LYS 18 -0.831 6.307 -7.616 122 1HB LYS 18 2HB LYS 18 1.642 5.023 -8.746 123 2HB LYS 18 3HB LYS 18 0.070 4.595 -9.435 124 1HG LYS 18 2HG LYS 18 1.022 6.390 -10.720 125 2HG LYS 18 3HG LYS 18 -0.404 6.989 -9.855 126 1HD LYS 18 2HD LYS 18 1.112 8.004 -8.136 127 2HD LYS 18 3HD LYS 18 2.514 7.443 -9.070 128 1HE LYS 18 2HE LYS 18 1.790 8.811 -10.994 129 2HE LYS 18 3HE LYS 18 0.334 9.305 -10.118 130 1HZ LYS 18 1HZ LYS 18 2.055 10.999 -9.947 131 2HZ LYS 18 2HZ LYS 18 1.777 10.379 -8.463 132 3HZ LYS 18 3HZ LYS 18 3.117 9.949 -9.295 133 H CYS 19 H CYS 19 0.580 3.998 -5.582 134 HA CYS 19 HA CYS 19 -2.072 2.737 -5.299 135 1HB CYS 19 2HB CYS 19 -1.226 0.537 -5.034 136 2HB CYS 19 3HB CYS 19 -0.689 1.088 -6.620 137 H GLN 20 H GLN 20 -2.596 2.410 -3.180 138 HA GLN 20 HA GLN 20 -0.511 2.952 -1.103 139 1HB GLN 20 2HB GLN 20 -3.500 2.573 -0.839 140 2HB GLN 20 3HB GLN 20 -2.371 2.920 0.485 141 1HG GLN 20 2HG GLN 20 -3.155 4.739 -1.807 142 2HG GLN 20 3HG GLN 20 -3.355 5.013 -0.071 143 1HE2 GLN 20 1HE2 GLN 20 -1.456 5.851 -2.774 144 2HE2 GLN 20 2HE2 GLN 20 -0.072 6.443 -1.860 145 H CYS 21 H CYS 21 0.560 1.144 -2.048 146 HA CYS 21 HA CYS 21 -0.411 -1.592 -1.692 147 1HB CYS 21 2HB CYS 21 2.288 -0.360 -2.440 148 2HB CYS 21 3HB CYS 21 1.959 -2.085 -2.363 149 H ASP 22 H ASP 22 -0.807 -0.437 0.730 150 HA ASP 22 HA ASP 22 1.196 -1.561 2.592 151 1HB ASP 22 2HB ASP 22 1.632 0.600 3.646 152 2HB ASP 22 3HB ASP 22 2.065 0.674 1.938 153 H GLU 23 H GLU 23 0.587 -0.718 4.916 154 HA GLU 23 HA GLU 23 -1.744 -2.111 5.648 155 1HB GLU 23 2HB GLU 23 -0.097 -0.168 7.311 156 2HB GLU 23 3HB GLU 23 -1.136 -1.464 7.914 157 1HG GLU 23 2HG GLU 23 0.346 -3.125 6.729 158 2HG GLU 23 3HG GLU 23 1.444 -1.804 6.316 159 H LEU 24 H LEU 24 -1.673 1.255 4.735 160 HA LEU 24 HA LEU 24 -4.070 1.876 6.450 161 1HB LEU 24 2HB LEU 24 -1.986 3.713 5.239 162 2HB LEU 24 3HB LEU 24 -3.378 4.220 6.187 163 HG LEU 24 HG LEU 24 -1.033 2.566 7.206 164 1HD1 LEU 24 1HD1 LEU 24 -0.584 4.539 8.587 165 2HD1 LEU 24 2HD1 LEU 24 -0.598 4.989 6.877 166 3HD1 LEU 24 3HD1 LEU 24 -1.994 5.376 7.898 167 1HD2 LEU 24 1HD2 LEU 24 -3.038 1.833 8.403 168 2HD2 LEU 24 2HD2 LEU 24 -2.090 2.881 9.456 169 3HD2 LEU 24 3HD2 LEU 24 -3.546 3.518 8.654 170 H CYS 25 H CYS 25 -3.561 0.971 3.294 171 HA CYS 25 HA CYS 25 -4.830 2.947 1.810 172 1HB CYS 25 2HB CYS 25 -5.089 1.431 0.129 173 2HB CYS 25 3HB CYS 25 -3.667 0.858 1.012 174 H SER 26 H SER 26 -6.545 0.397 3.649 175 HA SER 26 HA SER 26 -9.115 0.809 2.529 176 1HB SER 26 2HB SER 26 -8.340 -0.273 5.255 177 2HB SER 26 3HB SER 26 -9.922 -0.486 4.471 178 HG SER 26 HG SER 26 -8.541 -2.287 4.131 179 H TYR 27 H TYR 27 -7.471 2.940 4.558 180 HA TYR 27 HA TYR 27 -9.896 4.264 5.643 181 1HB TYR 27 2HB TYR 27 -8.209 3.992 7.223 182 2HB TYR 27 3HB TYR 27 -6.931 4.343 6.094 183 HD1 TYR 27 1HD TYR 27 -9.922 6.274 7.415 184 HD2 TYR 27 2HD TYR 27 -5.681 6.130 6.634 185 HE1 TYR 27 1HE TYR 27 -9.662 8.583 8.329 186 HE2 TYR 27 2HE TYR 27 -5.420 8.415 7.524 187 HH TYR 27 HH TYR 27 -6.484 10.238 8.458 188 H TYR 28 H TYR 28 -7.870 4.437 2.843 189 HA TYR 28 HA TYR 28 -8.999 7.123 2.101 190 1HB TYR 28 2HB TYR 28 -6.389 5.786 1.332 191 2HB TYR 28 3HB TYR 28 -7.012 7.265 0.591 192 HD1 TYR 28 1HD TYR 28 -5.239 5.878 3.448 193 HD2 TYR 28 2HD TYR 28 -7.295 9.350 1.918 194 HE1 TYR 28 1HE TYR 28 -4.103 7.298 5.136 195 HE2 TYR 28 2HE TYR 28 -6.169 10.771 3.617 196 HH TYR 28 HH TYR 28 -4.705 10.838 5.375 197 H GLN 29 H GLN 29 -8.914 3.801 1.182 198 HA GLN 29 HA GLN 29 -9.772 2.576 -0.450 199 1HB GLN 29 2HB GLN 29 -11.227 4.875 -1.740 200 2HB GLN 29 3HB GLN 29 -11.634 3.167 -1.700 201 1HG GLN 29 2HG GLN 29 -11.971 5.245 0.467 202 2HG GLN 29 3HG GLN 29 -13.206 4.238 -0.288 203 1HE2 GLN 29 2HE2 GLN 29 -12.069 4.676 2.631 204 2HE2 GLN 29 1HE2 GLN 29 -11.772 3.024 3.185 205 H SER 30 H SER 30 -7.443 4.724 -1.008 206 HA SER 30 HA SER 30 -7.072 4.524 -3.890 207 1HB SER 30 2HB SER 30 -4.876 5.736 -3.151 208 2HB SER 30 3HB SER 30 -6.435 6.557 -2.941 209 HG SER 30 HG SER 30 -5.206 6.737 -1.079 210 H CYS 31 H CYS 31 -7.066 2.000 -2.225 211 HA CYS 31 HA CYS 31 -4.486 0.946 -1.856 212 1HB CYS 31 2HB CYS 31 -6.982 0.213 -1.146 213 2HB CYS 31 3HB CYS 31 -6.774 -0.849 -2.557 214 H CYS 32 H CYS 32 -3.442 -0.889 -2.904 215 HA CYS 32 HA CYS 32 -3.015 -0.609 -5.723 216 1HB CYS 32 2HB CYS 32 -1.429 -2.184 -5.477 217 2HB CYS 32 3HB CYS 32 -1.617 -1.799 -3.761 218 H THR 33 H THR 33 -3.511 -2.200 -7.440 219 HA THR 33 HA THR 33 -6.361 -2.420 -7.593 220 HB THR 33 HB THR 33 -5.868 -3.502 -9.833 221 HG1 THR 33 1HG THR 33 -3.885 -4.426 -9.432 222 1HG2 THR 33 1HG2 THR 33 -6.092 -1.022 -9.485 223 2HG2 THR 33 2HG2 THR 33 -4.327 -0.927 -9.287 224 3HG2 THR 33 3HG2 THR 33 -5.036 -1.472 -10.827 225 H ASP 34 H ASP 34 -4.153 -4.701 -6.381 226 HA ASP 34 HA ASP 34 -6.125 -6.952 -6.576 227 1HB ASP 34 2HB ASP 34 -3.121 -6.972 -7.106 228 2HB ASP 34 3HB ASP 34 -4.157 -8.406 -7.069 229 H TYR 35 H TYR 35 -5.103 -5.015 -4.368 230 HA TYR 35 HA TYR 35 -3.380 -5.829 -2.573 231 1HB TYR 35 2HB TYR 35 -4.766 -3.789 -2.414 232 2HB TYR 35 3HB TYR 35 -6.114 -4.771 -1.832 233 HD1 TYR 35 1HD TYR 35 -2.808 -3.329 -1.072 234 HD2 TYR 35 2HD TYR 35 -6.144 -5.584 0.491 235 HE1 TYR 35 1HE TYR 35 -2.083 -2.800 1.229 236 HE2 TYR 35 2HE TYR 35 -5.423 -5.018 2.811 237 HH TYR 35 HH TYR 35 -2.740 -2.731 3.388 238 H THR 36 H THR 36 -6.739 -7.046 -1.974 239 HA THR 36 HA THR 36 -5.780 -8.644 0.163 240 HB THR 36 HB THR 36 -8.388 -9.463 -1.010 241 HG1 THR 36 1HG THR 36 -9.375 -7.552 -0.376 242 1HG2 THR 36 1HG2 THR 36 -7.623 -10.123 1.289 243 2HG2 THR 36 2HG2 THR 36 -7.514 -8.408 1.733 244 3HG2 THR 36 3HG2 THR 36 -9.093 -9.135 1.346 245 H ALA 37 H ALA 37 -5.291 -9.336 -3.043 246 HA ALA 37 HA ALA 37 -4.907 -12.252 -2.467 247 1HB ALA 37 1HB ALA 37 -5.528 -10.895 -5.121 248 2HB ALA 37 2HB ALA 37 -5.246 -12.631 -4.869 249 3HB ALA 37 3HB ALA 37 -6.667 -11.852 -4.146 250 H GLU 38 H GLU 38 -3.410 -9.267 -3.588 251 HA GLU 38 HA GLU 38 -0.792 -10.699 -3.943 252 1HB GLU 38 2HB GLU 38 -1.959 -8.262 -5.321 253 2HB GLU 38 3HB GLU 38 -0.235 -8.609 -5.333 254 1HG GLU 38 2HG GLU 38 -2.377 -10.449 -6.432 255 2HG GLU 38 3HG GLU 38 -1.370 -9.364 -7.379 256 H CYS 39 H CYS 39 -1.979 -7.371 -2.928 257 HA CYS 39 HA CYS 39 0.733 -6.925 -1.921 258 1HB CYS 39 2HB CYS 39 -1.467 -4.892 -1.744 259 2HB CYS 39 3HB CYS 39 0.287 -4.663 -1.882 260 H LYS 40 H LYS 40 -2.001 -8.173 -0.548 261 HA LYS 40 HA LYS 40 -2.516 -7.261 1.880 262 1HB LYS 40 2HB LYS 40 -3.495 -9.254 0.917 263 2HB LYS 40 3HB LYS 40 -1.995 -10.148 1.132 264 1HG LYS 40 2HG LYS 40 -3.596 -10.807 2.802 265 2HG LYS 40 3HG LYS 40 -2.237 -9.999 3.592 266 1HD LYS 40 2HD LYS 40 -3.609 -7.905 3.745 267 2HD LYS 40 3HD LYS 40 -4.974 -8.756 3.016 268 1HE LYS 40 2HE LYS 40 -3.567 -9.539 5.616 269 2HE LYS 40 3HE LYS 40 -5.030 -8.555 5.530 270 1HZ LYS 40 1HZ LYS 40 -5.595 -10.859 5.944 271 2HZ LYS 40 2HZ LYS 40 -6.166 -10.445 4.477 272 3HZ LYS 40 3HZ LYS 40 -4.823 -11.372 4.604 273 HA PRO 41 HA PRO 41 1.492 -6.846 4.058 274 1HB PRO 41 2HB PRO 41 -0.636 -6.293 6.143 275 2HB PRO 41 3HB PRO 41 0.961 -5.502 5.937 276 1HG PRO 41 2HG PRO 41 -1.301 -4.337 4.993 277 2HG PRO 41 3HG PRO 41 0.206 -4.312 4.017 278 1HD PRO 41 2HD PRO 41 -2.250 -6.012 3.607 279 2HD PRO 41 3HD PRO 41 -1.111 -5.337 2.434 280 H GLN 42 H GLN 42 2.592 -8.048 5.596 281 HA GLN 42 HA GLN 42 1.864 -10.761 6.040 282 1HB GLN 42 2HB GLN 42 4.150 -9.808 5.876 283 2HB GLN 42 3HB GLN 42 3.942 -9.039 7.462 284 1HG GLN 42 2HG GLN 42 3.758 -11.231 8.534 285 2HG GLN 42 3HG GLN 42 3.803 -12.053 6.970 286 1HE2 GLN 42 2HE2 GLN 42 5.695 -11.935 9.489 287 2HE2 GLN 42 1HE2 GLN 42 7.275 -11.713 8.715 288 H VAL 43 H VAL 43 1.095 -11.859 7.814 289 HA VAL 43 HA VAL 43 -0.045 -10.316 10.103 290 HB VAL 43 HB VAL 43 -2.066 -11.790 9.944 291 1HG1 VAL 43 1HG1 VAL 43 -2.077 -9.401 9.363 292 2HG1 VAL 43 2HG1 VAL 43 -1.644 -9.798 7.689 293 3HG1 VAL 43 3HG1 VAL 43 -3.200 -10.330 8.358 294 1HG2 VAL 43 1HG2 VAL 43 -1.213 -13.458 8.271 295 2HG2 VAL 43 2HG2 VAL 43 -2.732 -12.690 7.779 296 3HG2 VAL 43 3HG2 VAL 43 -1.212 -12.176 7.035 297 H THR 44 H THR 44 2.287 -11.465 10.423 298 HA THR 44 HA THR 44 2.336 -14.028 11.672 299 HB THR 44 HB THR 44 3.943 -11.521 12.332 300 HG1 THR 44 1HG THR 44 4.401 -13.620 10.476 301 1HG2 THR 44 1HG2 THR 44 4.525 -14.483 12.735 302 2HG2 THR 44 2HG2 THR 44 5.762 -13.203 12.805 303 3HG2 THR 44 3HG2 THR 44 4.449 -13.210 13.983 304 H ARG 45 H ARG 45 2.431 -14.521 13.943 305 HA ARG 45 HA ARG 45 0.121 -14.034 15.345 306 1HB ARG 45 2HB ARG 45 1.577 -15.964 15.639 307 2HB ARG 45 3HB ARG 45 2.852 -14.960 16.316 308 1HG ARG 45 2HG ARG 45 1.740 -16.276 18.039 309 2HG ARG 45 3HG ARG 45 1.541 -14.548 18.332 310 1HD ARG 45 2HD ARG 45 -0.788 -14.749 17.261 311 2HD ARG 45 3HD ARG 45 -0.521 -16.487 17.192 312 HE ARG 45 HE ARG 45 -0.876 -16.642 19.483 313 1HH1 ARG 45 1HH2 ARG 45 -0.509 -13.209 18.752 314 2HH1 ARG 45 2HH2 ARG 45 -1.095 -12.744 20.328 315 1HH2 ARG 45 1HH1 ARG 45 -1.575 -15.947 21.466 316 2HH2 ARG 45 2HH1 ARG 45 -1.663 -14.246 21.817 317 H GLY 46 H GLY 46 2.864 -11.872 15.523 318 1HA GLY 46 2HA GLY 46 2.680 -9.667 16.319 319 2HA GLY 46 3HA GLY 46 1.278 -10.099 17.291 320 H ASP 47 H ASP 47 4.122 -12.110 17.574 321 HA ASP 47 HA ASP 47 4.907 -10.822 20.143 322 1HB ASP 47 2HB ASP 47 5.494 -12.957 20.967 323 2HB ASP 47 3HB ASP 47 3.899 -13.133 20.247 324 H VAL 48 H VAL 48 5.819 -10.527 17.215 325 HA VAL 48 HA VAL 48 8.613 -9.952 17.784 326 HB VAL 48 HB VAL 48 8.772 -12.311 17.134 327 1HG1 VAL 48 1HG1 VAL 48 6.801 -12.526 15.650 328 2HG1 VAL 48 2HG1 VAL 48 7.623 -11.543 14.419 329 3HG1 VAL 48 3HG1 VAL 48 8.284 -13.117 14.894 330 1HG2 VAL 48 1HG2 VAL 48 10.489 -12.125 15.467 331 2HG2 VAL 48 2HG2 VAL 48 9.887 -10.554 14.920 332 3HG2 VAL 48 3HG2 VAL 48 10.596 -10.729 16.546 333 H PHE 49 H PHE 49 9.379 -8.309 16.501 334 HA PHE 49 HA PHE 49 7.580 -7.156 14.406 335 1HB PHE 49 2HB PHE 49 8.752 -5.718 16.818 336 2HB PHE 49 3HB PHE 49 7.821 -4.964 15.520 337 HD1 PHE 49 1HD PHE 49 7.616 -6.798 18.661 338 HD2 PHE 49 2HD PHE 49 5.398 -5.608 15.157 339 HE1 PHE 49 1HE PHE 49 5.483 -7.287 19.841 340 HE2 PHE 49 2HE PHE 49 3.268 -6.090 16.344 341 HZ PHE 49 HZ PHE 49 3.310 -6.928 18.687 342 H THR 50 H THR 50 10.558 -8.350 14.708 343 HA THR 50 HA THR 50 12.205 -6.249 13.522 344 HB THR 50 HB THR 50 13.859 -8.143 13.300 345 HG1 THR 50 1HG THR 50 13.306 -10.079 14.296 346 1HG2 THR 50 1HG2 THR 50 13.776 -6.720 15.338 347 2HG2 THR 50 2HG2 THR 50 12.630 -7.859 16.079 348 3HG2 THR 50 3HG2 THR 50 14.283 -8.381 15.687 349 H MET 51 H MET 51 9.752 -7.995 12.181 350 HA MET 51 HA MET 51 10.827 -7.847 9.413 351 1HB MET 51 2HB MET 51 11.111 -10.180 10.294 352 2HB MET 51 3HB MET 51 9.367 -10.257 10.584 353 1HG MET 51 2HG MET 51 8.980 -9.876 8.143 354 2HG MET 51 3HG MET 51 10.738 -9.852 7.898 355 1HE MET 51 1HE MET 51 8.962 -11.665 6.134 356 2HE MET 51 2HE MET 51 10.738 -11.695 6.074 357 3HE MET 51 3HE MET 51 9.828 -13.216 6.196 Start of MODEL 17 1 1H ASP 1 1H ASP 1 3.724 -4.380 -21.029 2 2H ASP 1 2H ASP 1 3.041 -5.828 -21.371 3 3H ASP 1 3H ASP 1 2.095 -4.549 -20.968 4 HA ASP 1 HA ASP 1 2.302 -6.114 -19.132 5 1HB ASP 1 2HB ASP 1 4.418 -6.417 -18.011 6 2HB ASP 1 3HB ASP 1 4.587 -6.891 -19.705 7 H GLN 2 H GLN 2 2.528 -5.394 -16.853 8 HA GLN 2 HA GLN 2 2.696 -2.468 -16.407 9 1HB GLN 2 2HB GLN 2 0.282 -4.166 -15.609 10 2HB GLN 2 3HB GLN 2 0.588 -2.508 -15.136 11 1HG GLN 2 2HG GLN 2 -0.972 -2.257 -16.810 12 2HG GLN 2 3HG GLN 2 0.547 -1.900 -17.619 13 1HE2 GLN 2 2HE2 GLN 2 -0.788 -2.321 -19.616 14 2HE2 GLN 2 1HE2 GLN 2 -1.043 -3.997 -20.107 15 H GLU 3 H GLU 3 2.814 -1.936 -14.097 16 HA GLU 3 HA GLU 3 4.367 -3.827 -12.512 17 1HB GLU 3 2HB GLU 3 3.174 -1.082 -11.945 18 2HB GLU 3 3HB GLU 3 4.006 -2.042 -10.712 19 1HG GLU 3 2HG GLU 3 6.013 -2.168 -12.242 20 2HG GLU 3 3HG GLU 3 5.212 -0.992 -13.292 21 H SER 4 H SER 4 3.874 -4.402 -10.339 22 HA SER 4 HA SER 4 1.137 -4.421 -9.325 23 1HB SER 4 2HB SER 4 0.925 -6.762 -8.979 24 2HB SER 4 3HB SER 4 1.325 -6.566 -10.697 25 HG SER 4 HG SER 4 3.493 -7.091 -10.181 26 H CYS 5 H CYS 5 1.291 -5.592 -7.038 27 HA CYS 5 HA CYS 5 3.275 -4.157 -5.541 28 1HB CYS 5 2HB CYS 5 0.942 -4.704 -4.934 29 2HB CYS 5 3HB CYS 5 1.429 -6.383 -4.625 30 H LYS 6 H LYS 6 3.661 -7.127 -7.187 31 HA LYS 6 HA LYS 6 5.149 -8.607 -5.200 32 1HB LYS 6 2HB LYS 6 4.946 -8.909 -8.212 33 2HB LYS 6 3HB LYS 6 5.801 -10.039 -7.137 34 1HG LYS 6 2HG LYS 6 3.699 -10.321 -5.804 35 2HG LYS 6 3HG LYS 6 2.831 -9.327 -6.982 36 1HD LYS 6 2HD LYS 6 4.221 -11.972 -7.528 37 2HD LYS 6 3HD LYS 6 2.495 -11.739 -7.301 38 1HE LYS 6 2HE LYS 6 4.181 -10.643 -9.600 39 2HE LYS 6 3HE LYS 6 3.066 -12.010 -9.671 40 1HZ LYS 6 1HZ LYS 6 1.264 -10.380 -9.030 41 2HZ LYS 6 2HZ LYS 6 2.344 -9.164 -9.267 42 3HZ LYS 6 3HZ LYS 6 1.921 -10.126 -10.510 43 H GLY 7 H GLY 7 6.798 -7.764 -4.319 44 1HA GLY 7 2HA GLY 7 9.182 -7.297 -4.273 45 2HA GLY 7 3HA GLY 7 9.069 -6.588 -5.889 46 H ARG 8 H ARG 8 6.443 -5.563 -3.940 47 HA ARG 8 HA ARG 8 7.799 -3.004 -3.136 48 1HB ARG 8 2HB ARG 8 5.161 -3.290 -4.629 49 2HB ARG 8 3HB ARG 8 5.831 -1.803 -3.975 50 1HG ARG 8 2HG ARG 8 7.875 -2.176 -5.470 51 2HG ARG 8 3HG ARG 8 6.967 -3.489 -6.229 52 1HD ARG 8 2HD ARG 8 6.754 -1.516 -7.590 53 2HD ARG 8 3HD ARG 8 5.175 -1.860 -6.854 54 HE ARG 8 HE ARG 8 6.291 -0.099 -5.057 55 1HH1 ARG 8 1HH2 ARG 8 5.999 0.330 -8.587 56 2HH1 ARG 8 2HH2 ARG 8 5.827 2.046 -8.360 57 1HH2 ARG 8 1HH1 ARG 8 6.158 1.907 -4.926 58 2HH2 ARG 8 2HH1 ARG 8 5.951 2.970 -6.323 59 H CYS 9 H CYS 9 4.882 -5.078 -2.508 60 HA CYS 9 HA CYS 9 3.496 -3.774 -0.774 61 1HB CYS 9 2HB CYS 9 4.384 -6.595 -0.116 62 2HB CYS 9 3HB CYS 9 2.832 -5.828 0.254 63 H THR 10 H THR 10 3.197 -3.174 1.208 64 HA THR 10 HA THR 10 3.544 -2.261 3.202 65 HB THR 10 HB THR 10 5.126 -2.901 4.859 66 HG1 THR 10 1HG THR 10 6.292 -4.354 2.776 67 1HG2 THR 10 1HG2 THR 10 4.430 -5.210 5.195 68 2HG2 THR 10 2HG2 THR 10 3.084 -4.222 4.608 69 3HG2 THR 10 3HG2 THR 10 3.918 -5.337 3.498 70 H GLU 11 H GLU 11 4.204 -1.052 0.879 71 HA GLU 11 HA GLU 11 6.620 0.426 0.789 72 1HB GLU 11 2HB GLU 11 3.776 1.116 -0.018 73 2HB GLU 11 3HB GLU 11 5.134 2.155 -0.414 74 1HG GLU 11 2HG GLU 11 4.895 -0.716 -1.367 75 2HG GLU 11 3HG GLU 11 4.252 0.675 -2.225 76 H GLY 12 H GLY 12 3.907 0.845 2.956 77 1HA GLY 12 2HA GLY 12 3.589 2.332 4.728 78 2HA GLY 12 3HA GLY 12 5.059 3.218 4.284 79 H PHE 13 H PHE 13 2.516 4.402 4.943 80 HA PHE 13 HA PHE 13 0.955 4.989 2.631 81 1HB PHE 13 2HB PHE 13 0.041 5.037 4.853 82 2HB PHE 13 3HB PHE 13 1.173 6.304 5.357 83 HD1 PHE 13 1HD PHE 13 -0.957 6.029 2.240 84 HD2 PHE 13 2HD PHE 13 -0.233 8.089 5.972 85 HE1 PHE 13 1HE PHE 13 -2.812 7.569 1.762 86 HE2 PHE 13 2HE PHE 13 -2.056 9.690 5.436 87 HZ PHE 13 HZ PHE 13 -3.364 9.422 3.335 88 H ASN 14 H ASN 14 1.232 6.371 1.016 89 HA ASN 14 HA ASN 14 2.286 9.052 1.420 90 1HB ASN 14 2HB ASN 14 4.366 7.693 1.012 91 2HB ASN 14 3HB ASN 14 3.741 7.271 -0.589 92 1HD2 ASN 14 2HD2 ASN 14 6.182 8.603 -0.266 93 2HD2 ASN 14 1HD2 ASN 14 6.004 10.281 -0.775 94 H VAL 15 H VAL 15 0.068 9.401 0.977 95 HA VAL 15 HA VAL 15 -1.425 8.317 -1.070 96 HB VAL 15 HB VAL 15 -2.059 9.600 1.029 97 1HG1 VAL 15 1HG1 VAL 15 -2.831 11.799 0.937 98 2HG1 VAL 15 2HG1 VAL 15 -1.115 11.778 0.509 99 3HG1 VAL 15 3HG1 VAL 15 -2.344 11.981 -0.770 100 1HG2 VAL 15 1HG2 VAL 15 -3.822 9.934 -1.398 101 2HG2 VAL 15 2HG2 VAL 15 -3.650 8.452 -0.423 102 3HG2 VAL 15 3HG2 VAL 15 -4.321 9.914 0.308 103 H ASP 16 H ASP 16 0.958 10.665 -1.650 104 HA ASP 16 HA ASP 16 -0.052 11.828 -4.101 105 1HB ASP 16 2HB ASP 16 1.771 12.757 -2.672 106 2HB ASP 16 3HB ASP 16 2.772 11.362 -3.093 107 H LYS 17 H LYS 17 1.304 8.680 -3.351 108 HA LYS 17 HA LYS 17 2.308 8.248 -6.099 109 1HB LYS 17 2HB LYS 17 2.542 6.400 -3.701 110 2HB LYS 17 3HB LYS 17 3.493 6.362 -5.194 111 1HG LYS 17 2HG LYS 17 3.590 8.451 -2.988 112 2HG LYS 17 3HG LYS 17 4.844 7.287 -3.422 113 1HD LYS 17 2HD LYS 17 5.269 8.460 -5.533 114 2HD LYS 17 3HD LYS 17 3.901 9.559 -5.235 115 1HE LYS 17 2HE LYS 17 5.013 10.272 -3.092 116 2HE LYS 17 3HE LYS 17 6.450 9.361 -3.595 117 1HZ LYS 17 1HZ LYS 17 6.610 11.694 -4.264 118 2HZ LYS 17 2HZ LYS 17 6.473 10.792 -5.622 119 3HZ LYS 17 3HZ LYS 17 5.176 11.628 -5.051 120 H LYS 18 H LYS 18 2.062 6.317 -7.245 121 HA LYS 18 HA LYS 18 -0.618 5.998 -7.980 122 1HB LYS 18 2HB LYS 18 1.335 5.900 -9.473 123 2HB LYS 18 3HB LYS 18 1.794 4.336 -8.790 124 1HG LYS 18 2HG LYS 18 0.748 4.077 -10.971 125 2HG LYS 18 3HG LYS 18 -0.281 3.340 -9.734 126 1HD LYS 18 2HD LYS 18 -1.690 5.417 -9.728 127 2HD LYS 18 3HD LYS 18 -0.665 6.094 -11.010 128 1HE LYS 18 2HE LYS 18 -1.250 4.189 -12.488 129 2HE LYS 18 3HE LYS 18 -2.259 3.497 -11.211 130 1HZ LYS 18 1HZ LYS 18 -3.666 5.485 -11.335 131 2HZ LYS 18 2HZ LYS 18 -2.732 6.130 -12.512 132 3HZ LYS 18 3HZ LYS 18 -3.587 4.770 -12.800 133 H CYS 19 H CYS 19 1.136 3.915 -5.777 134 HA CYS 19 HA CYS 19 -1.446 2.512 -5.291 135 1HB CYS 19 2HB CYS 19 -0.089 0.875 -6.557 136 2HB CYS 19 3HB CYS 19 1.231 1.076 -5.392 137 H GLN 20 H GLN 20 -2.002 2.453 -3.276 138 HA GLN 20 HA GLN 20 -0.059 3.063 -1.095 139 1HB GLN 20 2HB GLN 20 -3.079 2.810 -1.021 140 2HB GLN 20 3HB GLN 20 -2.004 3.387 0.268 141 1HG GLN 20 2HG GLN 20 -2.549 4.785 -2.392 142 2HG GLN 20 3HG GLN 20 -2.974 5.376 -0.796 143 1HE2 GLN 20 2HE2 GLN 20 -0.850 6.058 -3.248 144 2HE2 GLN 20 1HE2 GLN 20 0.432 6.677 -2.205 145 H CYS 21 H CYS 21 0.923 1.079 -1.789 146 HA CYS 21 HA CYS 21 -0.434 -1.522 -1.418 147 1HB CYS 21 2HB CYS 21 2.319 -0.578 -2.327 148 2HB CYS 21 3HB CYS 21 1.946 -2.278 -2.049 149 H ASP 22 H ASP 22 -0.699 -0.358 0.917 150 HA ASP 22 HA ASP 22 1.236 -1.572 2.800 151 1HB ASP 22 2HB ASP 22 1.839 0.460 3.812 152 2HB ASP 22 3HB ASP 22 1.986 0.776 2.081 153 H GLU 23 H GLU 23 0.628 -0.882 5.100 154 HA GLU 23 HA GLU 23 -1.637 -2.363 5.756 155 1HB GLU 23 2HB GLU 23 -0.062 -0.438 7.511 156 2HB GLU 23 3HB GLU 23 -1.052 -1.797 8.057 157 1HG GLU 23 2HG GLU 23 0.471 -3.363 6.820 158 2HG GLU 23 3HG GLU 23 1.493 -1.993 6.372 159 H LEU 24 H LEU 24 -1.625 1.164 5.258 160 HA LEU 24 HA LEU 24 -4.139 1.435 6.866 161 1HB LEU 24 2HB LEU 24 -2.379 3.568 5.621 162 2HB LEU 24 3HB LEU 24 -3.751 3.828 6.696 163 HG LEU 24 HG LEU 24 -1.069 2.619 7.383 164 1HD1 LEU 24 1HD1 LEU 24 -0.866 4.565 8.854 165 2HD1 LEU 24 2HD1 LEU 24 -1.146 5.072 7.180 166 3HD1 LEU 24 3HD1 LEU 24 -2.477 5.133 8.357 167 1HD2 LEU 24 1HD2 LEU 24 -1.893 2.561 9.748 168 2HD2 LEU 24 2HD2 LEU 24 -3.529 2.944 9.161 169 3HD2 LEU 24 3HD2 LEU 24 -2.743 1.413 8.714 170 H CYS 25 H CYS 25 -3.448 0.736 3.676 171 HA CYS 25 HA CYS 25 -4.762 2.699 2.282 172 1HB CYS 25 2HB CYS 25 -4.482 1.424 0.387 173 2HB CYS 25 3HB CYS 25 -3.192 0.942 1.497 174 H SER 26 H SER 26 -6.500 0.268 3.995 175 HA SER 26 HA SER 26 -8.977 0.570 2.498 176 1HB SER 26 2HB SER 26 -8.364 -1.418 3.833 177 2HB SER 26 3HB SER 26 -8.519 -0.457 5.322 178 HG SER 26 HG SER 26 -10.431 -1.658 4.794 179 H TYR 27 H TYR 27 -7.485 2.434 5.119 180 HA TYR 27 HA TYR 27 -9.923 3.723 6.024 181 1HB TYR 27 2HB TYR 27 -8.452 3.793 7.706 182 2HB TYR 27 3HB TYR 27 -7.051 3.770 6.675 183 HD1 TYR 27 1HD TYR 27 -5.679 5.617 6.522 184 HD2 TYR 27 2HD TYR 27 -9.751 6.139 7.836 185 HE1 TYR 27 1HE TYR 27 -5.247 8.054 6.864 186 HE2 TYR 27 2HE TYR 27 -9.299 8.550 8.267 187 HH TYR 27 HH TYR 27 -7.772 10.253 8.162 188 H TYR 28 H TYR 28 -7.600 4.507 3.479 189 HA TYR 28 HA TYR 28 -9.343 6.796 2.655 190 1HB TYR 28 2HB TYR 28 -7.246 7.774 1.642 191 2HB TYR 28 3HB TYR 28 -7.363 7.754 3.400 192 HD1 TYR 28 1HD TYR 28 -5.534 6.966 4.658 193 HD2 TYR 28 2HD TYR 28 -5.983 5.685 0.580 194 HE1 TYR 28 1HE TYR 28 -3.513 5.572 4.895 195 HE2 TYR 28 2HE TYR 28 -3.951 4.301 0.815 196 HH TYR 28 HH TYR 28 -2.196 3.594 2.233 197 H GLN 29 H GLN 29 -9.145 3.782 1.873 198 HA GLN 29 HA GLN 29 -9.481 2.475 0.067 199 1HB GLN 29 2HB GLN 29 -11.231 4.794 -0.817 200 2HB GLN 29 3HB GLN 29 -11.397 3.095 -1.243 201 1HG GLN 29 2HG GLN 29 -13.027 3.348 0.368 202 2HG GLN 29 3HG GLN 29 -11.695 2.626 1.275 203 1HE2 GLN 29 2HE2 GLN 29 -11.575 3.570 3.304 204 2HE2 GLN 29 1HE2 GLN 29 -11.831 5.289 3.615 205 H SER 30 H SER 30 -7.019 3.354 -0.461 206 HA SER 30 HA SER 30 -7.009 3.874 -3.429 207 1HB SER 30 2HB SER 30 -5.170 5.161 -1.395 208 2HB SER 30 3HB SER 30 -5.060 5.334 -3.157 209 HG SER 30 HG SER 30 -7.292 6.118 -1.557 210 H CYS 31 H CYS 31 -6.629 1.347 -1.831 211 HA CYS 31 HA CYS 31 -3.934 0.447 -1.945 212 1HB CYS 31 2HB CYS 31 -6.382 -1.273 -2.399 213 2HB CYS 31 3HB CYS 31 -4.845 -1.682 -1.621 214 H CYS 32 H CYS 32 -2.967 -1.198 -3.421 215 HA CYS 32 HA CYS 32 -3.064 -0.948 -6.155 216 1HB CYS 32 2HB CYS 32 -2.569 -3.633 -5.966 217 2HB CYS 32 3HB CYS 32 -1.379 -2.384 -5.705 218 H THR 33 H THR 33 -3.897 -2.181 -7.874 219 HA THR 33 HA THR 33 -6.685 -2.231 -8.029 220 HB THR 33 HB THR 33 -6.335 -3.469 -10.200 221 HG1 THR 33 1HG THR 33 -4.198 -3.811 -10.815 222 1HG2 THR 33 1HG2 THR 33 -6.212 -0.989 -10.073 223 2HG2 THR 33 2HG2 THR 33 -4.467 -1.095 -9.754 224 3HG2 THR 33 3HG2 THR 33 -5.129 -1.659 -11.303 225 H ASP 34 H ASP 34 -4.708 -4.867 -6.900 226 HA ASP 34 HA ASP 34 -7.182 -6.377 -6.329 227 1HB ASP 34 2HB ASP 34 -6.088 -7.186 -8.499 228 2HB ASP 34 3HB ASP 34 -4.743 -7.758 -7.504 229 H TYR 35 H TYR 35 -5.604 -4.727 -4.662 230 HA TYR 35 HA TYR 35 -3.656 -5.537 -3.062 231 1HB TYR 35 2HB TYR 35 -4.703 -3.460 -2.682 232 2HB TYR 35 3HB TYR 35 -6.244 -4.226 -2.294 233 HD1 TYR 35 1HD TYR 35 -2.823 -3.430 -0.964 234 HD2 TYR 35 2HD TYR 35 -6.744 -5.070 -0.111 235 HE1 TYR 35 1HE TYR 35 -2.364 -3.316 1.472 236 HE2 TYR 35 2HE TYR 35 -6.268 -4.930 2.317 237 HH TYR 35 HH TYR 35 -4.793 -4.279 3.927 238 H THR 36 H THR 36 -6.955 -6.742 -2.240 239 HA THR 36 HA THR 36 -6.020 -8.204 -0.027 240 HB THR 36 HB THR 36 -8.534 -9.111 -1.388 241 HG1 THR 36 1HG THR 36 -9.589 -7.249 -0.710 242 1HG2 THR 36 1HG2 THR 36 -7.828 -8.232 1.458 243 2HG2 THR 36 2HG2 THR 36 -9.411 -8.858 0.937 244 3HG2 THR 36 3HG2 THR 36 -7.991 -9.910 0.897 245 H ALA 37 H ALA 37 -5.604 -9.106 -3.293 246 HA ALA 37 HA ALA 37 -5.042 -11.942 -2.488 247 1HB ALA 37 1HB ALA 37 -6.977 -11.765 -3.995 248 2HB ALA 37 2HB ALA 37 -5.981 -10.886 -5.177 249 3HB ALA 37 3HB ALA 37 -5.609 -12.576 -4.783 250 H GLU 38 H GLU 38 -3.809 -9.117 -4.306 251 HA GLU 38 HA GLU 38 -1.307 -10.609 -4.964 252 1HB GLU 38 2HB GLU 38 -2.531 -8.003 -5.928 253 2HB GLU 38 3HB GLU 38 -0.883 -8.487 -6.340 254 1HG GLU 38 2HG GLU 38 -3.352 -10.149 -6.981 255 2HG GLU 38 3HG GLU 38 -2.573 -9.027 -8.094 256 H CYS 39 H CYS 39 -2.362 -8.106 -2.738 257 HA CYS 39 HA CYS 39 0.495 -7.414 -2.211 258 1HB CYS 39 2HB CYS 39 -1.785 -5.605 -1.556 259 2HB CYS 39 3HB CYS 39 -0.123 -5.200 -1.785 260 H LYS 40 H LYS 40 -2.496 -8.299 -0.705 261 HA LYS 40 HA LYS 40 -2.900 -7.554 1.628 262 1HB LYS 40 2HB LYS 40 -3.928 -9.503 0.633 263 2HB LYS 40 3HB LYS 40 -2.608 -10.524 1.219 264 1HG LYS 40 2HG LYS 40 -3.207 -10.020 3.551 265 2HG LYS 40 3HG LYS 40 -4.361 -8.784 3.024 266 1HD LYS 40 2HD LYS 40 -5.505 -10.840 3.736 267 2HD LYS 40 3HD LYS 40 -5.823 -10.438 2.056 268 1HE LYS 40 2HE LYS 40 -5.529 -12.816 2.225 269 2HE LYS 40 3HE LYS 40 -4.183 -12.144 1.309 270 1HZ LYS 40 1HZ LYS 40 -3.438 -13.768 2.968 271 2HZ LYS 40 2HZ LYS 40 -2.820 -12.305 3.340 272 3HZ LYS 40 3HZ LYS 40 -4.086 -12.904 4.188 273 HA PRO 41 HA PRO 41 0.887 -7.855 4.228 274 1HB PRO 41 2HB PRO 41 0.805 -5.383 5.288 275 2HB PRO 41 3HB PRO 41 1.288 -5.620 3.582 276 1HG PRO 41 2HG PRO 41 -1.433 -4.805 4.638 277 2HG PRO 41 3HG PRO 41 -0.476 -4.044 3.326 278 1HD PRO 41 2HD PRO 41 -2.458 -5.970 2.957 279 2HD PRO 41 3HD PRO 41 -1.130 -5.682 1.797 280 H GLN 42 H GLN 42 0.687 -6.904 6.778 281 HA GLN 42 HA GLN 42 -1.212 -8.470 8.191 282 1HB GLN 42 2HB GLN 42 0.855 -7.518 9.153 283 2HB GLN 42 3HB GLN 42 0.162 -5.885 9.043 284 1HG GLN 42 2HG GLN 42 -1.646 -6.549 10.603 285 2HG GLN 42 3HG GLN 42 -0.982 -8.183 10.706 286 1HE2 GLN 42 2HE2 GLN 42 -1.367 -5.826 12.712 287 2HE2 GLN 42 1HE2 GLN 42 0.224 -5.738 13.481 288 H VAL 43 H VAL 43 -3.275 -8.168 8.815 289 HA VAL 43 HA VAL 43 -4.726 -5.667 8.110 290 HB VAL 43 HB VAL 43 -4.721 -7.267 6.238 291 1HG1 VAL 43 1HG1 VAL 43 -6.054 -9.287 6.245 292 2HG1 VAL 43 2HG1 VAL 43 -4.760 -9.411 7.441 293 3HG1 VAL 43 3HG1 VAL 43 -6.430 -9.093 7.965 294 1HG2 VAL 43 1HG2 VAL 43 -7.013 -7.068 5.625 295 2HG2 VAL 43 2HG2 VAL 43 -7.523 -6.836 7.303 296 3HG2 VAL 43 3HG2 VAL 43 -6.521 -5.607 6.498 297 H THR 44 H THR 44 -3.885 -6.352 10.613 298 HA THR 44 HA THR 44 -5.908 -7.484 12.327 299 HB THR 44 HB THR 44 -4.609 -6.106 14.092 300 HG1 THR 44 1HG THR 44 -3.647 -4.600 12.721 301 1HG2 THR 44 1HG2 THR 44 -2.684 -7.625 14.024 302 2HG2 THR 44 2HG2 THR 44 -4.187 -8.498 13.685 303 3HG2 THR 44 3HG2 THR 44 -3.083 -8.092 12.355 304 H ARG 45 H ARG 45 -7.039 -6.275 14.010 305 HA ARG 45 HA ARG 45 -8.983 -4.547 12.995 306 1HB ARG 45 2HB ARG 45 -9.739 -4.290 15.292 307 2HB ARG 45 3HB ARG 45 -9.263 -5.957 14.984 308 1HG ARG 45 2HG ARG 45 -7.099 -5.567 16.157 309 2HG ARG 45 3HG ARG 45 -7.568 -3.878 16.457 310 1HD ARG 45 2HD ARG 45 -9.532 -4.655 17.742 311 2HD ARG 45 3HD ARG 45 -9.042 -6.340 17.473 312 HE ARG 45 HE ARG 45 -6.803 -5.117 18.593 313 1HH1 ARG 45 1HH2 ARG 45 -10.088 -5.644 19.695 314 2HH1 ARG 45 2HH2 ARG 45 -9.622 -5.621 21.374 315 1HH2 ARG 45 1HH1 ARG 45 -6.279 -5.111 20.752 316 2HH2 ARG 45 2HH1 ARG 45 -7.520 -5.340 21.947 317 H GLY 46 H GLY 46 -9.625 -2.425 13.459 318 1HA GLY 46 2HA GLY 46 -7.528 -0.426 13.194 319 2HA GLY 46 3HA GLY 46 -9.271 -0.156 13.202 320 H ASP 47 H ASP 47 -8.782 -1.826 16.000 321 HA ASP 47 HA ASP 47 -8.992 0.505 17.678 322 1HB ASP 47 2HB ASP 47 -10.152 -1.755 17.960 323 2HB ASP 47 3HB ASP 47 -8.601 -2.400 18.496 324 H VAL 48 H VAL 48 -6.347 -0.489 16.298 325 HA VAL 48 HA VAL 48 -4.474 0.525 18.355 326 HB VAL 48 HB VAL 48 -2.822 -1.259 17.853 327 1HG1 VAL 48 1HG1 VAL 48 -5.383 -2.372 19.053 328 2HG1 VAL 48 2HG1 VAL 48 -3.727 -2.954 19.320 329 3HG1 VAL 48 3HG1 VAL 48 -4.203 -1.351 19.904 330 1HG2 VAL 48 1HG2 VAL 48 -3.742 -2.118 15.707 331 2HG2 VAL 48 2HG2 VAL 48 -3.502 -3.400 16.899 332 3HG2 VAL 48 3HG2 VAL 48 -5.135 -2.787 16.581 333 H PHE 49 H PHE 49 -2.427 1.211 17.484 334 HA PHE 49 HA PHE 49 -2.275 1.581 14.537 335 1HB PHE 49 2HB PHE 49 -3.490 3.494 15.754 336 2HB PHE 49 3HB PHE 49 -1.929 3.890 16.477 337 HD1 PHE 49 1HD PHE 49 -3.587 3.269 13.145 338 HD2 PHE 49 2HD PHE 49 -0.533 5.427 15.294 339 HE1 PHE 49 1HE PHE 49 -3.081 4.593 11.103 340 HE2 PHE 49 2HE PHE 49 -0.031 6.748 13.251 341 HZ PHE 49 HZ PHE 49 -1.300 6.328 11.151 342 H THR 50 H THR 50 -0.736 0.042 16.715 343 HA THR 50 HA THR 50 1.899 1.098 16.954 344 HB THR 50 HB THR 50 1.093 -1.835 16.882 345 HG1 THR 50 1HG THR 50 0.797 -1.573 19.106 346 1HG2 THR 50 1HG2 THR 50 3.544 -1.458 16.932 347 2HG2 THR 50 2HG2 THR 50 3.354 -0.359 18.319 348 3HG2 THR 50 3HG2 THR 50 2.974 -2.091 18.481 349 H MET 51 H MET 51 3.335 1.486 15.401 350 HA MET 51 HA MET 51 3.726 -0.327 13.080 351 1HB MET 51 2HB MET 51 3.216 2.674 12.865 352 2HB MET 51 3HB MET 51 3.851 1.657 11.569 353 1HG MET 51 2HG MET 51 1.768 0.291 11.630 354 2HG MET 51 3HG MET 51 1.132 1.360 12.888 355 1HE MET 51 1HE MET 51 1.762 0.789 9.118 356 2HE MET 51 2HE MET 51 1.594 2.408 8.406 357 3HE MET 51 3HE MET 51 3.020 2.016 9.390 Start of MODEL 18 1 1H ASP 1 1H ASP 1 -4.143 5.601 -14.607 2 2H ASP 1 2H ASP 1 -5.039 4.234 -14.473 3 3H ASP 1 3H ASP 1 -4.610 5.057 -13.130 4 HA ASP 1 HA ASP 1 -2.765 3.670 -14.952 5 1HB ASP 1 2HB ASP 1 -2.074 5.855 -13.585 6 2HB ASP 1 3HB ASP 1 -1.925 4.706 -12.248 7 H GLN 2 H GLN 2 -1.541 1.891 -13.683 8 HA GLN 2 HA GLN 2 -3.254 0.469 -11.688 9 1HB GLN 2 2HB GLN 2 -2.244 -0.717 -14.310 10 2HB GLN 2 3HB GLN 2 -2.879 -1.658 -12.958 11 1HG GLN 2 2HG GLN 2 -5.070 -0.527 -13.167 12 2HG GLN 2 3HG GLN 2 -4.458 0.433 -14.517 13 1HE2 GLN 2 2HE2 GLN 2 -4.423 -0.501 -16.613 14 2HE2 GLN 2 1HE2 GLN 2 -4.963 -2.155 -16.898 15 H GLU 3 H GLU 3 -2.082 -0.526 -10.115 16 HA GLU 3 HA GLU 3 0.758 -1.152 -10.404 17 1HB GLU 3 2HB GLU 3 0.734 1.345 -10.175 18 2HB GLU 3 3HB GLU 3 -0.061 1.178 -8.608 19 1HG GLU 3 2HG GLU 3 1.919 0.012 -7.719 20 2HG GLU 3 3HG GLU 3 2.649 -0.033 -9.321 21 H SER 4 H SER 4 1.569 -2.414 -8.695 22 HA SER 4 HA SER 4 -0.126 -3.150 -6.432 23 1HB SER 4 2HB SER 4 -1.056 -4.290 -8.555 24 2HB SER 4 3HB SER 4 0.398 -5.314 -8.481 25 HG SER 4 HG SER 4 -1.410 -6.182 -7.333 26 H CYS 5 H CYS 5 0.734 -5.400 -5.656 27 HA CYS 5 HA CYS 5 2.744 -4.893 -3.941 28 1HB CYS 5 2HB CYS 5 1.051 -6.647 -3.872 29 2HB CYS 5 3HB CYS 5 1.900 -7.551 -5.111 30 H LYS 6 H LYS 6 3.521 -6.110 -7.208 31 HA LYS 6 HA LYS 6 5.876 -7.476 -6.402 32 1HB LYS 6 2HB LYS 6 4.879 -6.474 -9.075 33 2HB LYS 6 3HB LYS 6 6.460 -7.270 -8.921 34 1HG LYS 6 2HG LYS 6 5.470 -9.249 -7.934 35 2HG LYS 6 3HG LYS 6 3.853 -8.524 -7.946 36 1HD LYS 6 2HD LYS 6 5.511 -8.976 -10.446 37 2HD LYS 6 3HD LYS 6 4.431 -10.205 -9.803 38 1HE LYS 6 2HE LYS 6 3.470 -7.397 -10.507 39 2HE LYS 6 3HE LYS 6 3.531 -8.703 -11.692 40 1HZ LYS 6 1HZ LYS 6 1.950 -8.824 -9.159 41 2HZ LYS 6 2HZ LYS 6 1.343 -8.561 -10.654 42 3HZ LYS 6 3HZ LYS 6 2.033 -9.994 -10.296 43 H GLY 7 H GLY 7 7.308 -6.507 -5.257 44 1HA GLY 7 2HA GLY 7 9.246 -5.316 -4.777 45 2HA GLY 7 3HA GLY 7 9.071 -4.385 -6.273 46 H ARG 8 H ARG 8 6.249 -4.467 -4.203 47 HA ARG 8 HA ARG 8 6.831 -1.718 -3.135 48 1HB ARG 8 2HB ARG 8 4.394 -2.456 -4.803 49 2HB ARG 8 3HB ARG 8 4.740 -0.885 -4.070 50 1HG ARG 8 2HG ARG 8 6.814 -0.731 -5.487 51 2HG ARG 8 3HG ARG 8 6.322 -2.231 -6.282 52 1HD ARG 8 2HD ARG 8 5.643 -0.481 -7.710 53 2HD ARG 8 3HD ARG 8 4.191 -1.172 -6.979 54 HE ARG 8 HE ARG 8 3.704 0.889 -6.092 55 1HH1 ARG 8 1HH1 ARG 8 7.185 0.989 -6.551 56 2HH1 ARG 8 2HH1 ARG 8 7.224 2.723 -6.403 57 1HH2 ARG 8 1HH2 ARG 8 3.813 3.012 -6.341 58 2HH2 ARG 8 2HH2 ARG 8 5.337 3.861 -6.199 59 H CYS 9 H CYS 9 4.750 -4.616 -2.738 60 HA CYS 9 HA CYS 9 3.035 -3.505 -0.797 61 1HB CYS 9 2HB CYS 9 2.801 -5.961 -0.062 62 2HB CYS 9 3HB CYS 9 2.306 -5.398 -1.666 63 H THR 10 H THR 10 2.887 -3.281 1.252 64 HA THR 10 HA THR 10 3.353 -2.758 3.344 65 HB THR 10 HB THR 10 5.527 -4.831 3.607 66 HG1 THR 10 1HG THR 10 3.982 -6.402 3.774 67 1HG2 THR 10 1HG2 THR 10 3.155 -4.016 5.363 68 2HG2 THR 10 2HG2 THR 10 4.372 -5.247 5.771 69 3HG2 THR 10 3HG2 THR 10 4.843 -3.550 5.641 70 H GLU 11 H GLU 11 4.783 -1.350 1.275 71 HA GLU 11 HA GLU 11 7.483 -0.740 2.109 72 1HB GLU 11 2HB GLU 11 7.294 1.057 0.447 73 2HB GLU 11 3HB GLU 11 6.837 -0.511 -0.203 74 1HG GLU 11 2HG GLU 11 4.399 0.147 0.092 75 2HG GLU 11 3HG GLU 11 4.935 1.703 0.708 76 H GLY 12 H GLY 12 4.541 0.397 3.431 77 1HA GLY 12 2HA GLY 12 4.272 2.042 5.118 78 2HA GLY 12 3HA GLY 12 5.750 2.861 4.638 79 H PHE 13 H PHE 13 2.697 3.437 4.800 80 HA PHE 13 HA PHE 13 1.718 3.907 2.200 81 1HB PHE 13 2HB PHE 13 0.292 3.562 4.115 82 2HB PHE 13 3HB PHE 13 0.904 5.024 4.899 83 HD1 PHE 13 1HD PHE 13 -1.215 3.645 2.166 84 HD2 PHE 13 2HD PHE 13 -0.017 7.196 4.322 85 HE1 PHE 13 1HE PHE 13 -3.216 4.845 1.333 86 HE2 PHE 13 2HE PHE 13 -1.957 8.411 3.383 87 HZ PHE 13 HZ PHE 13 -3.559 7.230 1.903 88 H ASN 14 H ASN 14 1.550 5.518 0.850 89 HA ASN 14 HA ASN 14 1.940 8.317 1.564 90 1HB ASN 14 2HB ASN 14 4.245 7.644 0.980 91 2HB ASN 14 3HB ASN 14 3.681 6.989 -0.567 92 1HD2 ASN 14 2HD2 ASN 14 5.706 8.869 -0.567 93 2HD2 ASN 14 1HD2 ASN 14 5.056 10.370 -1.222 94 H VAL 15 H VAL 15 0.055 9.105 0.842 95 HA VAL 15 HA VAL 15 -1.518 7.683 -1.087 96 HB VAL 15 HB VAL 15 -2.204 8.998 1.016 97 1HG1 VAL 15 1HG1 VAL 15 -3.145 11.143 0.771 98 2HG1 VAL 15 2HG1 VAL 15 -1.424 11.221 0.359 99 3HG1 VAL 15 3HG1 VAL 15 -2.653 11.248 -0.937 100 1HG2 VAL 15 1HG2 VAL 15 -4.477 9.085 0.257 101 2HG2 VAL 15 2HG2 VAL 15 -3.958 9.052 -1.446 102 3HG2 VAL 15 3HG2 VAL 15 -3.668 7.650 -0.386 103 H ASP 16 H ASP 16 0.938 9.890 -1.699 104 HA ASP 16 HA ASP 16 -0.178 11.032 -4.160 105 1HB ASP 16 2HB ASP 16 1.490 12.160 -2.653 106 2HB ASP 16 3HB ASP 16 2.686 10.958 -3.171 107 H LYS 17 H LYS 17 1.358 8.028 -3.356 108 HA LYS 17 HA LYS 17 2.527 7.396 -5.959 109 1HB LYS 17 2HB LYS 17 1.740 5.696 -3.552 110 2HB LYS 17 3HB LYS 17 2.544 5.046 -4.992 111 1HG LYS 17 2HG LYS 17 4.469 6.524 -4.637 112 2HG LYS 17 3HG LYS 17 3.686 7.244 -3.212 113 1HD LYS 17 2HD LYS 17 3.705 5.073 -2.060 114 2HD LYS 17 3HD LYS 17 4.429 4.296 -3.486 115 1HE LYS 17 2HE LYS 17 6.427 5.680 -3.310 116 2HE LYS 17 3HE LYS 17 5.713 6.624 -1.989 117 1HZ LYS 17 1HZ LYS 17 6.333 3.711 -1.830 118 2HZ LYS 17 2HZ LYS 17 7.258 4.898 -1.189 119 3HZ LYS 17 3HZ LYS 17 5.753 4.632 -0.610 120 H LYS 18 H LYS 18 1.744 5.368 -7.192 121 HA LYS 18 HA LYS 18 -1.035 5.854 -8.071 122 1HB LYS 18 2HB LYS 18 1.243 4.134 -9.035 123 2HB LYS 18 3HB LYS 18 -0.409 3.755 -9.543 124 1HG LYS 18 2HG LYS 18 0.632 5.100 -11.192 125 2HG LYS 18 3HG LYS 18 -0.644 6.064 -10.421 126 1HD LYS 18 2HD LYS 18 1.094 7.200 -9.032 127 2HD LYS 18 3HD LYS 18 2.356 6.261 -9.844 128 1HE LYS 18 2HE LYS 18 0.421 8.173 -11.238 129 2HE LYS 18 3HE LYS 18 2.076 8.573 -10.772 130 1HZ LYS 18 1HZ LYS 18 2.849 6.793 -12.268 131 2HZ LYS 18 2HZ LYS 18 1.316 6.467 -12.750 132 3HZ LYS 18 3HZ LYS 18 1.991 7.911 -13.088 133 H CYS 19 H CYS 19 0.701 3.035 -6.653 134 HA CYS 19 HA CYS 19 -1.937 2.013 -5.620 135 1HB CYS 19 2HB CYS 19 -0.827 0.067 -4.943 136 2HB CYS 19 3HB CYS 19 -0.190 0.361 -6.554 137 H GLN 20 H GLN 20 -2.189 1.730 -3.430 138 HA GLN 20 HA GLN 20 -0.230 3.057 -1.583 139 1HB GLN 20 2HB GLN 20 -3.255 2.929 -1.524 140 2HB GLN 20 3HB GLN 20 -2.291 3.122 -0.059 141 1HG GLN 20 2HG GLN 20 -3.006 5.277 -0.887 142 2HG GLN 20 3HG GLN 20 -1.250 5.138 -0.804 143 1HE2 GLN 20 2HE2 GLN 20 -0.269 6.233 -2.557 144 2HE2 GLN 20 1HE2 GLN 20 -1.086 6.411 -4.101 145 H CYS 21 H CYS 21 0.857 1.095 -2.130 146 HA CYS 21 HA CYS 21 -0.196 -1.506 -1.515 147 1HB CYS 21 2HB CYS 21 2.645 -0.499 -2.033 148 2HB CYS 21 3HB CYS 21 2.142 -2.180 -1.975 149 H ASP 22 H ASP 22 -0.621 -0.017 0.818 150 HA ASP 22 HA ASP 22 1.054 -1.402 2.799 151 1HB ASP 22 2HB ASP 22 2.260 0.742 2.114 152 2HB ASP 22 3HB ASP 22 0.888 1.633 2.797 153 H GLU 23 H GLU 23 0.395 -0.882 5.024 154 HA GLU 23 HA GLU 23 -2.068 -1.926 5.520 155 1HB GLU 23 2HB GLU 23 -0.531 -0.106 7.410 156 2HB GLU 23 3HB GLU 23 -1.653 -1.396 7.846 157 1HG GLU 23 2HG GLU 23 -0.080 -3.050 6.779 158 2HG GLU 23 3HG GLU 23 1.076 -1.738 6.502 159 H LEU 24 H LEU 24 -1.481 1.599 5.378 160 HA LEU 24 HA LEU 24 -4.039 2.228 6.653 161 1HB LEU 24 2HB LEU 24 -2.068 4.032 5.206 162 2HB LEU 24 3HB LEU 24 -3.420 4.566 6.195 163 HG LEU 24 HG LEU 24 -0.944 3.086 7.176 164 1HD1 LEU 24 1HD1 LEU 24 -1.978 5.902 7.713 165 2HD1 LEU 24 2HD1 LEU 24 -0.488 5.179 8.360 166 3HD1 LEU 24 3HD1 LEU 24 -0.642 5.486 6.623 167 1HD2 LEU 24 1HD2 LEU 24 -3.386 4.050 8.735 168 2HD2 LEU 24 2HD2 LEU 24 -2.840 2.366 8.551 169 3HD2 LEU 24 3HD2 LEU 24 -1.855 3.510 9.462 170 H CYS 25 H CYS 25 -3.324 1.365 3.401 171 HA CYS 25 HA CYS 25 -4.836 3.292 1.997 172 1HB CYS 25 2HB CYS 25 -4.665 1.862 0.153 173 2HB CYS 25 3HB CYS 25 -3.225 1.569 1.140 174 H SER 26 H SER 26 -6.062 0.517 3.796 175 HA SER 26 HA SER 26 -8.650 0.431 2.521 176 1HB SER 26 2HB SER 26 -9.206 -1.194 4.204 177 2HB SER 26 3HB SER 26 -7.585 -1.515 3.580 178 HG SER 26 HG SER 26 -7.664 -1.625 5.886 179 H TYR 27 H TYR 27 -7.367 2.583 4.838 180 HA TYR 27 HA TYR 27 -10.031 3.502 5.809 181 1HB TYR 27 2HB TYR 27 -8.557 3.660 7.561 182 2HB TYR 27 3HB TYR 27 -7.166 3.954 6.544 183 HD1 TYR 27 1HD TYR 27 -6.236 6.061 6.399 184 HD2 TYR 27 2HD TYR 27 -10.333 5.669 7.683 185 HE1 TYR 27 1HE TYR 27 -6.342 8.519 6.756 186 HE2 TYR 27 2HE TYR 27 -10.427 8.130 8.100 187 HH TYR 27 HH TYR 27 -7.632 10.284 7.469 188 H TYR 28 H TYR 28 -7.295 4.612 3.761 189 HA TYR 28 HA TYR 28 -8.630 7.015 2.846 190 1HB TYR 28 2HB TYR 28 -6.126 5.502 2.073 191 2HB TYR 28 3HB TYR 28 -6.684 6.883 1.128 192 HD1 TYR 28 1HD TYR 28 -5.035 5.860 4.223 193 HD2 TYR 28 2HD TYR 28 -6.817 9.153 2.083 194 HE1 TYR 28 1HE TYR 28 -3.814 7.469 5.679 195 HE2 TYR 28 2HE TYR 28 -5.596 10.761 3.538 196 HH TYR 28 HH TYR 28 -4.121 11.019 5.273 197 H GLN 29 H GLN 29 -9.131 3.779 1.891 198 HA GLN 29 HA GLN 29 -10.155 2.737 0.186 199 1HB GLN 29 2HB GLN 29 -11.429 5.343 -0.696 200 2HB GLN 29 3HB GLN 29 -12.021 3.699 -0.898 201 1HG GLN 29 2HG GLN 29 -11.931 5.359 1.640 202 2HG GLN 29 3HG GLN 29 -13.356 4.768 0.782 203 1HE2 GLN 29 2HE2 GLN 29 -11.686 4.276 3.550 204 2HE2 GLN 29 1HE2 GLN 29 -11.827 2.524 3.708 205 H SER 30 H SER 30 -7.531 3.516 -0.246 206 HA SER 30 HA SER 30 -7.358 4.282 -3.137 207 1HB SER 30 2HB SER 30 -5.212 5.342 -2.423 208 2HB SER 30 3HB SER 30 -6.644 6.001 -1.607 209 HG SER 30 HG SER 30 -5.067 5.591 -0.074 210 H CYS 31 H CYS 31 -7.021 1.516 -1.458 211 HA CYS 31 HA CYS 31 -4.463 0.536 -1.709 212 1HB CYS 31 2HB CYS 31 -7.091 -0.970 -2.003 213 2HB CYS 31 3HB CYS 31 -5.521 -1.674 -1.599 214 H CYS 32 H CYS 32 -3.437 -0.996 -2.998 215 HA CYS 32 HA CYS 32 -2.977 -0.760 -5.644 216 1HB CYS 32 2HB CYS 32 -3.286 -3.533 -4.469 217 2HB CYS 32 3HB CYS 32 -2.177 -3.005 -5.720 218 H THR 33 H THR 33 -3.480 -1.791 -7.616 219 HA THR 33 HA THR 33 -6.148 -2.137 -8.389 220 HB THR 33 HB THR 33 -3.721 -3.447 -9.666 221 HG1 THR 33 1HG THR 33 -4.752 -0.815 -9.933 222 1HG2 THR 33 1HG2 THR 33 -4.908 -2.932 -11.789 223 2HG2 THR 33 2HG2 THR 33 -5.809 -4.078 -10.794 224 3HG2 THR 33 3HG2 THR 33 -6.321 -2.376 -10.861 225 H ASP 34 H ASP 34 -4.039 -4.567 -6.928 226 HA ASP 34 HA ASP 34 -6.322 -6.500 -6.856 227 1HB ASP 34 2HB ASP 34 -3.431 -7.072 -7.615 228 2HB ASP 34 3HB ASP 34 -4.628 -8.324 -7.256 229 H TYR 35 H TYR 35 -5.179 -4.617 -4.802 230 HA TYR 35 HA TYR 35 -3.425 -5.408 -2.992 231 1HB TYR 35 2HB TYR 35 -4.710 -3.360 -2.805 232 2HB TYR 35 3HB TYR 35 -6.153 -4.265 -2.358 233 HD1 TYR 35 1HD TYR 35 -2.865 -2.968 -1.168 234 HD2 TYR 35 2HD TYR 35 -6.473 -5.094 -0.104 235 HE1 TYR 35 1HE TYR 35 -2.355 -2.652 1.239 236 HE2 TYR 35 2HE TYR 35 -5.982 -4.717 2.299 237 HH TYR 35 HH TYR 35 -4.600 -3.718 3.818 238 H THR 36 H THR 36 -6.801 -6.763 -2.605 239 HA THR 36 HA THR 36 -6.001 -8.328 -0.324 240 HB THR 36 HB THR 36 -8.262 -9.514 -0.803 241 HG1 THR 36 1HG THR 36 -9.624 -8.283 -2.111 242 1HG2 THR 36 1HG2 THR 36 -9.439 -7.706 0.274 243 2HG2 THR 36 2HG2 THR 36 -7.783 -7.759 0.914 244 3HG2 THR 36 3HG2 THR 36 -8.236 -6.520 -0.281 245 H ALA 37 H ALA 37 -5.426 -8.993 -3.598 246 HA ALA 37 HA ALA 37 -4.914 -11.881 -2.976 247 1HB ALA 37 1HB ALA 37 -6.619 -11.509 -4.722 248 2HB ALA 37 2HB ALA 37 -5.458 -10.531 -5.651 249 3HB ALA 37 3HB ALA 37 -5.157 -12.263 -5.388 250 H GLU 38 H GLU 38 -3.431 -8.861 -3.725 251 HA GLU 38 HA GLU 38 -0.777 -10.179 -4.215 252 1HB GLU 38 2HB GLU 38 -2.114 -7.751 -5.390 253 2HB GLU 38 3HB GLU 38 -0.367 -7.742 -5.219 254 1HG GLU 38 2HG GLU 38 -1.718 -10.066 -6.596 255 2HG GLU 38 3HG GLU 38 -1.416 -8.554 -7.443 256 H CYS 39 H CYS 39 -1.858 -6.910 -3.042 257 HA CYS 39 HA CYS 39 0.675 -6.639 -1.707 258 1HB CYS 39 2HB CYS 39 -1.745 -4.854 -1.527 259 2HB CYS 39 3HB CYS 39 -0.082 -4.411 -1.143 260 H LYS 40 H LYS 40 -2.364 -7.724 -0.576 261 HA LYS 40 HA LYS 40 -2.994 -6.978 1.807 262 1HB LYS 40 2HB LYS 40 -4.036 -8.739 0.626 263 2HB LYS 40 3HB LYS 40 -2.739 -9.861 0.977 264 1HG LYS 40 2HG LYS 40 -3.326 -9.899 3.339 265 2HG LYS 40 3HG LYS 40 -4.453 -8.538 3.123 266 1HD LYS 40 2HD LYS 40 -5.730 -10.595 3.278 267 2HD LYS 40 3HD LYS 40 -5.857 -9.942 1.643 268 1HE LYS 40 2HE LYS 40 -3.915 -11.563 1.033 269 2HE LYS 40 3HE LYS 40 -4.208 -12.320 2.604 270 1HZ LYS 40 1HZ LYS 40 -5.467 -13.439 0.876 271 2HZ LYS 40 2HZ LYS 40 -6.546 -12.671 1.834 272 3HZ LYS 40 3HZ LYS 40 -6.143 -12.044 0.365 273 HA PRO 41 HA PRO 41 1.007 -7.264 3.961 274 1HB PRO 41 2HB PRO 41 0.804 -5.062 5.568 275 2HB PRO 41 3HB PRO 41 0.989 -4.953 3.795 276 1HG PRO 41 2HG PRO 41 -1.619 -4.879 5.358 277 2HG PRO 41 3HG PRO 41 -1.005 -3.679 4.166 278 1HD PRO 41 2HD PRO 41 -2.689 -5.659 3.389 279 2HD PRO 41 3HD PRO 41 -1.323 -5.154 2.363 280 H GLN 42 H GLN 42 -0.815 -9.155 4.699 281 HA GLN 42 HA GLN 42 -0.187 -9.537 7.546 282 1HB GLN 42 2HB GLN 42 -2.472 -10.304 8.108 283 2HB GLN 42 3HB GLN 42 -2.391 -8.580 7.726 284 1HG GLN 42 2HG GLN 42 -3.365 -8.942 5.528 285 2HG GLN 42 3HG GLN 42 -3.299 -10.697 5.729 286 1HE2 GLN 42 2HE2 GLN 42 -5.189 -11.661 6.484 287 2HE2 GLN 42 1HE2 GLN 42 -6.468 -10.769 7.309 288 H VAL 43 H VAL 43 1.000 -10.503 5.277 289 HA VAL 43 HA VAL 43 0.470 -13.445 5.272 290 HB VAL 43 HB VAL 43 0.870 -11.616 2.862 291 1HG1 VAL 43 1HG1 VAL 43 0.659 -13.669 1.479 292 2HG1 VAL 43 2HG1 VAL 43 2.133 -13.657 2.433 293 3HG1 VAL 43 3HG1 VAL 43 0.754 -14.662 2.944 294 1HG2 VAL 43 1HG2 VAL 43 -1.307 -12.543 2.119 295 2HG2 VAL 43 2HG2 VAL 43 -1.440 -13.455 3.640 296 3HG2 VAL 43 3HG2 VAL 43 -1.465 -11.677 3.645 297 H THR 44 H THR 44 2.293 -14.674 5.295 298 HA THR 44 HA THR 44 4.966 -13.414 4.999 299 HB THR 44 HB THR 44 4.246 -13.163 7.340 300 HG1 THR 44 1HG THR 44 6.355 -14.994 6.947 301 1HG2 THR 44 1HG2 THR 44 4.134 -15.073 8.863 302 2HG2 THR 44 2HG2 THR 44 2.840 -15.142 7.661 303 3HG2 THR 44 3HG2 THR 44 4.255 -16.205 7.502 304 H ARG 45 H ARG 45 3.578 -15.163 3.328 305 HA ARG 45 HA ARG 45 5.517 -17.381 2.976 306 1HB ARG 45 2HB ARG 45 2.488 -17.747 3.220 307 2HB ARG 45 3HB ARG 45 3.549 -18.931 2.456 308 1HG ARG 45 2HG ARG 45 4.758 -19.306 4.547 309 2HG ARG 45 3HG ARG 45 3.768 -18.074 5.360 310 1HD ARG 45 2HD ARG 45 2.881 -20.263 5.907 311 2HD ARG 45 3HD ARG 45 1.737 -19.365 4.930 312 HE ARG 45 HE ARG 45 1.989 -20.855 3.147 313 1HH1 ARG 45 1HH2 ARG 45 4.345 -21.687 5.611 314 2HH1 ARG 45 2HH2 ARG 45 4.634 -23.269 4.941 315 1HH2 ARG 45 1HH1 ARG 45 2.394 -22.971 2.351 316 2HH2 ARG 45 2HH1 ARG 45 3.579 -23.937 3.170 317 H GLY 46 H GLY 46 5.343 -18.356 0.865 318 1HA GLY 46 2HA GLY 46 4.223 -16.613 -1.297 319 2HA GLY 46 3HA GLY 46 5.480 -17.840 -1.485 320 H ASP 47 H ASP 47 2.853 -18.777 0.524 321 HA ASP 47 HA ASP 47 1.280 -20.209 -1.506 322 1HB ASP 47 2HB ASP 47 3.192 -21.686 -1.266 323 2HB ASP 47 3HB ASP 47 3.166 -21.528 0.489 324 H VAL 48 H VAL 48 -0.712 -20.793 -0.737 325 HA VAL 48 HA VAL 48 -1.903 -19.251 1.271 326 HB VAL 48 HB VAL 48 -2.914 -21.824 -0.009 327 1HG1 VAL 48 1HG1 VAL 48 -4.460 -19.600 1.401 328 2HG1 VAL 48 2HG1 VAL 48 -5.187 -20.900 0.434 329 3HG1 VAL 48 3HG1 VAL 48 -4.334 -21.301 1.919 330 1HG2 VAL 48 1HG2 VAL 48 -2.364 -20.105 -1.698 331 2HG2 VAL 48 2HG2 VAL 48 -4.110 -20.283 -1.552 332 3HG2 VAL 48 3HG2 VAL 48 -3.300 -18.897 -0.790 333 H PHE 49 H PHE 49 -2.686 -19.578 3.302 334 HA PHE 49 HA PHE 49 -2.245 -22.097 4.759 335 1HB PHE 49 2HB PHE 49 -0.985 -21.112 6.529 336 2HB PHE 49 3HB PHE 49 -0.144 -20.817 5.017 337 HD1 PHE 49 1HD PHE 49 -0.381 -18.457 3.926 338 HD2 PHE 49 2HD PHE 49 -1.495 -19.323 8.004 339 HE1 PHE 49 1HE PHE 49 -0.252 -16.045 4.480 340 HE2 PHE 49 2HE PHE 49 -1.336 -16.912 8.556 341 HZ PHE 49 HZ PHE 49 -0.719 -15.264 6.798 342 H THR 50 H THR 50 -3.020 -21.588 7.212 343 HA THR 50 HA THR 50 -5.834 -21.339 7.023 344 HB THR 50 HB THR 50 -5.719 -21.264 9.568 345 HG1 THR 50 1HG THR 50 -3.702 -21.703 10.456 346 1HG2 THR 50 1HG2 THR 50 -4.179 -23.493 8.159 347 2HG2 THR 50 2HG2 THR 50 -4.965 -23.592 9.752 348 3HG2 THR 50 3HG2 THR 50 -5.947 -23.375 8.296 349 H MET 51 H MET 51 -7.320 -19.905 7.833 350 HA MET 51 HA MET 51 -6.610 -17.140 8.533 351 1HB MET 51 2HB MET 51 -7.842 -16.185 6.623 352 2HB MET 51 3HB MET 51 -6.410 -17.075 6.110 353 1HG MET 51 2HG MET 51 -7.829 -19.011 5.487 354 2HG MET 51 3HG MET 51 -9.271 -18.109 5.991 355 1HE MET 51 1HE MET 51 -8.850 -19.554 3.161 356 2HE MET 51 2HE MET 51 -10.340 -18.711 3.641 357 3HE MET 51 3HE MET 51 -9.573 -18.342 2.081 Start of MODEL 19 1 1H ASP 1 1H ASP 1 -0.401 -0.218 -20.508 2 2H ASP 1 2H ASP 1 0.473 0.820 -19.594 3 3H ASP 1 3H ASP 1 0.870 0.588 -21.170 4 HA ASP 1 HA ASP 1 1.431 -1.719 -20.735 5 1HB ASP 1 2HB ASP 1 2.932 0.358 -19.084 6 2HB ASP 1 3HB ASP 1 3.505 -1.288 -19.402 7 H GLN 2 H GLN 2 1.621 -3.450 -19.285 8 HA GLN 2 HA GLN 2 -0.238 -3.445 -17.056 9 1HB GLN 2 2HB GLN 2 1.828 -5.515 -17.921 10 2HB GLN 2 3HB GLN 2 0.550 -5.773 -16.735 11 1HG GLN 2 2HG GLN 2 0.160 -5.220 -19.711 12 2HG GLN 2 3HG GLN 2 -0.060 -6.756 -18.885 13 1HE2 GLN 2 2HE2 GLN 2 -1.868 -6.878 -17.224 14 2HE2 GLN 2 1HE2 GLN 2 -3.262 -5.828 -17.485 15 H GLU 3 H GLU 3 0.138 -3.555 -14.873 16 HA GLU 3 HA GLU 3 2.818 -3.545 -13.707 17 1HB GLU 3 2HB GLU 3 2.539 -1.181 -14.395 18 2HB GLU 3 3HB GLU 3 0.988 -1.106 -13.554 19 1HG GLU 3 2HG GLU 3 2.703 0.049 -12.314 20 2HG GLU 3 3HG GLU 3 2.118 -1.310 -11.386 21 H SER 4 H SER 4 2.747 -3.670 -11.367 22 HA SER 4 HA SER 4 0.198 -4.097 -9.962 23 1HB SER 4 2HB SER 4 0.589 -6.366 -9.311 24 2HB SER 4 3HB SER 4 0.686 -6.321 -11.080 25 HG SER 4 HG SER 4 2.897 -6.457 -10.959 26 H CYS 5 H CYS 5 0.790 -4.964 -7.640 27 HA CYS 5 HA CYS 5 2.658 -3.168 -6.352 28 1HB CYS 5 2HB CYS 5 0.508 -4.027 -5.448 29 2HB CYS 5 3HB CYS 5 1.187 -5.659 -5.396 30 H LYS 6 H LYS 6 3.341 -6.075 -8.062 31 HA LYS 6 HA LYS 6 4.839 -7.479 -6.144 32 1HB LYS 6 2HB LYS 6 3.901 -8.172 -8.486 33 2HB LYS 6 3HB LYS 6 5.426 -7.576 -9.127 34 1HG LYS 6 2HG LYS 6 5.495 -9.987 -8.830 35 2HG LYS 6 3HG LYS 6 6.648 -9.221 -7.730 36 1HD LYS 6 2HD LYS 6 5.394 -11.148 -6.755 37 2HD LYS 6 3HD LYS 6 5.393 -9.662 -5.825 38 1HE LYS 6 2HE LYS 6 3.248 -10.549 -5.690 39 2HE LYS 6 3HE LYS 6 3.108 -9.115 -6.691 40 1HZ LYS 6 1HZ LYS 6 3.056 -10.591 -8.652 41 2HZ LYS 6 2HZ LYS 6 3.157 -11.916 -7.693 42 3HZ LYS 6 3HZ LYS 6 1.838 -10.951 -7.618 43 H GLY 7 H GLY 7 6.801 -7.472 -5.400 44 1HA GLY 7 2HA GLY 7 9.030 -6.922 -5.050 45 2HA GLY 7 3HA GLY 7 9.008 -5.850 -6.458 46 H ARG 8 H ARG 8 6.353 -4.903 -4.619 47 HA ARG 8 HA ARG 8 7.926 -2.800 -3.138 48 1HB ARG 8 2HB ARG 8 5.672 -2.544 -5.158 49 2HB ARG 8 3HB ARG 8 6.100 -1.236 -4.063 50 1HG ARG 8 2HG ARG 8 8.144 -0.822 -5.030 51 2HG ARG 8 3HG ARG 8 8.333 -2.438 -5.700 52 1HD ARG 8 2HD ARG 8 6.210 -0.517 -6.697 53 2HD ARG 8 3HD ARG 8 7.865 -0.592 -7.340 54 HE ARG 8 HE ARG 8 6.818 -3.235 -7.386 55 1HH1 ARG 8 1HH1 ARG 8 6.310 -0.206 -9.085 56 2HH1 ARG 8 2HH1 ARG 8 5.808 -1.027 -10.553 57 1HH2 ARG 8 1HH2 ARG 8 6.132 -4.176 -9.228 58 2HH2 ARG 8 2HH2 ARG 8 5.501 -3.179 -10.544 59 H CYS 9 H CYS 9 4.940 -4.705 -3.104 60 HA CYS 9 HA CYS 9 3.367 -3.522 -1.353 61 1HB CYS 9 2HB CYS 9 4.109 -6.446 -1.046 62 2HB CYS 9 3HB CYS 9 2.547 -5.679 -0.715 63 H THR 10 H THR 10 2.935 -3.182 0.686 64 HA THR 10 HA THR 10 3.183 -2.596 2.811 65 HB THR 10 HB THR 10 5.093 -4.856 3.401 66 HG1 THR 10 1HG THR 10 3.430 -5.723 2.152 67 1HG2 THR 10 1HG2 THR 10 2.710 -3.656 4.903 68 2HG2 THR 10 2HG2 THR 10 3.705 -5.018 5.457 69 3HG2 THR 10 3HG2 THR 10 4.418 -3.410 5.324 70 H GLU 11 H GLU 11 4.965 -1.401 0.851 71 HA GLU 11 HA GLU 11 7.458 -0.704 2.117 72 1HB GLU 11 2HB GLU 11 7.463 1.202 0.555 73 2HB GLU 11 3HB GLU 11 7.234 -0.343 -0.236 74 1HG GLU 11 2HG GLU 11 4.871 0.101 -0.609 75 2HG GLU 11 3HG GLU 11 4.918 1.518 0.447 76 H GLY 12 H GLY 12 4.237 0.347 2.816 77 1HA GLY 12 2HA GLY 12 3.755 1.610 4.835 78 2HA GLY 12 3HA GLY 12 5.215 2.570 4.582 79 H PHE 13 H PHE 13 2.799 3.750 5.058 80 HA PHE 13 HA PHE 13 1.238 4.428 2.752 81 1HB PHE 13 2HB PHE 13 0.263 4.439 4.903 82 2HB PHE 13 3HB PHE 13 1.521 5.489 5.575 83 HD1 PHE 13 1HD PHE 13 1.073 7.774 5.797 84 HD2 PHE 13 2HD PHE 13 -1.174 5.434 2.941 85 HE1 PHE 13 1HE PHE 13 -0.402 9.724 5.361 86 HE2 PHE 13 2HE PHE 13 -2.640 7.376 2.516 87 HZ PHE 13 HZ PHE 13 -2.264 9.525 3.734 88 H ASN 14 H ASN 14 1.301 6.032 1.324 89 HA ASN 14 HA ASN 14 2.437 8.615 1.837 90 1HB ASN 14 2HB ASN 14 4.545 7.423 1.242 91 2HB ASN 14 3HB ASN 14 3.848 6.966 -0.318 92 1HD2 ASN 14 2HD2 ASN 14 6.250 8.405 -0.137 93 2HD2 ASN 14 1HD2 ASN 14 5.947 10.032 -0.746 94 H VAL 15 H VAL 15 0.320 9.251 1.392 95 HA VAL 15 HA VAL 15 -1.254 8.243 -0.680 96 HB VAL 15 HB VAL 15 -1.874 9.375 1.473 97 1HG1 VAL 15 1HG1 VAL 15 -2.105 11.872 -0.191 98 2HG1 VAL 15 2HG1 VAL 15 -2.626 11.613 1.493 99 3HG1 VAL 15 3HG1 VAL 15 -0.901 11.585 1.094 100 1HG2 VAL 15 1HG2 VAL 15 -3.623 9.849 -0.929 101 2HG2 VAL 15 2HG2 VAL 15 -3.456 8.329 -0.008 102 3HG2 VAL 15 3HG2 VAL 15 -4.124 9.765 0.774 103 H ASP 16 H ASP 16 1.257 10.420 -1.245 104 HA ASP 16 HA ASP 16 0.158 11.740 -3.598 105 1HB ASP 16 2HB ASP 16 2.115 12.557 -2.284 106 2HB ASP 16 3HB ASP 16 3.034 11.147 -2.838 107 H LYS 17 H LYS 17 1.497 8.534 -2.976 108 HA LYS 17 HA LYS 17 2.225 7.957 -5.741 109 1HB LYS 17 2HB LYS 17 1.903 6.114 -3.326 110 2HB LYS 17 3HB LYS 17 2.551 5.640 -4.907 111 1HG LYS 17 2HG LYS 17 4.314 7.452 -4.641 112 2HG LYS 17 3HG LYS 17 3.764 7.645 -2.960 113 1HD LYS 17 2HD LYS 17 4.275 5.239 -2.537 114 2HD LYS 17 3HD LYS 17 4.812 5.072 -4.228 115 1HE LYS 17 2HE LYS 17 6.503 6.910 -3.788 116 2HE LYS 17 3HE LYS 17 6.041 6.846 -2.076 117 1HZ LYS 17 1HZ LYS 17 6.698 4.452 -2.115 118 2HZ LYS 17 2HZ LYS 17 7.217 4.617 -3.649 119 3HZ LYS 17 3HZ LYS 17 7.961 5.443 -2.453 120 H LYS 18 H LYS 18 1.323 6.552 -7.169 121 HA LYS 18 HA LYS 18 -1.531 6.618 -7.494 122 1HB LYS 18 2HB LYS 18 0.784 5.389 -9.001 123 2HB LYS 18 3HB LYS 18 -0.855 4.881 -9.392 124 1HG LYS 18 2HG LYS 18 -0.305 6.588 -10.908 125 2HG LYS 18 3HG LYS 18 -1.498 7.259 -9.784 126 1HD LYS 18 2HD LYS 18 0.351 8.383 -8.540 127 2HD LYS 18 3HD LYS 18 1.523 7.753 -9.701 128 1HE LYS 18 2HE LYS 18 -0.835 9.575 -10.383 129 2HE LYS 18 3HE LYS 18 0.804 10.145 -10.066 130 1HZ LYS 18 1HZ LYS 18 0.434 9.911 -12.436 131 2HZ LYS 18 2HZ LYS 18 1.568 8.835 -11.977 132 3HZ LYS 18 3HZ LYS 18 0.041 8.337 -12.296 133 H CYS 19 H CYS 19 0.347 4.330 -5.755 134 HA CYS 19 HA CYS 19 -2.160 2.823 -5.189 135 1HB CYS 19 2HB CYS 19 -0.919 1.312 -6.665 136 2HB CYS 19 3HB CYS 19 0.552 1.546 -5.710 137 H GLN 20 H GLN 20 -2.554 2.763 -3.117 138 HA GLN 20 HA GLN 20 -0.405 3.206 -1.094 139 1HB GLN 20 2HB GLN 20 -3.414 2.857 -0.841 140 2HB GLN 20 3HB GLN 20 -2.296 3.157 0.506 141 1HG GLN 20 2HG GLN 20 -3.032 5.049 -1.746 142 2HG GLN 20 3HG GLN 20 -3.253 5.285 -0.009 143 1HE2 GLN 20 2HE2 GLN 20 -1.208 6.025 -2.689 144 2HE2 GLN 20 1HE2 GLN 20 0.163 6.558 -1.713 145 H CYS 21 H CYS 21 0.677 1.368 -1.935 146 HA CYS 21 HA CYS 21 -0.533 -1.308 -1.761 147 1HB CYS 21 2HB CYS 21 2.122 -0.114 -2.628 148 2HB CYS 21 3HB CYS 21 1.896 -1.852 -2.463 149 H ASP 22 H ASP 22 -0.796 -0.239 0.673 150 HA ASP 22 HA ASP 22 1.091 -1.598 2.503 151 1HB ASP 22 2HB ASP 22 1.678 0.440 3.642 152 2HB ASP 22 3HB ASP 22 2.020 0.685 1.928 153 H GLU 23 H GLU 23 0.491 -0.909 4.840 154 HA GLU 23 HA GLU 23 -1.882 -2.242 5.455 155 1HB GLU 23 2HB GLU 23 -0.267 -0.416 7.278 156 2HB GLU 23 3HB GLU 23 -1.316 -1.750 7.766 157 1HG GLU 23 2HG GLU 23 0.215 -3.326 6.514 158 2HG GLU 23 3HG GLU 23 1.315 -1.968 6.234 159 H LEU 24 H LEU 24 -1.650 1.230 4.901 160 HA LEU 24 HA LEU 24 -4.159 1.736 6.482 161 1HB LEU 24 2HB LEU 24 -2.041 3.657 5.456 162 2HB LEU 24 3HB LEU 24 -3.456 4.093 6.407 163 HG LEU 24 HG LEU 24 -1.121 2.386 7.364 164 1HD1 LEU 24 1HD1 LEU 24 -0.699 4.280 8.861 165 2HD1 LEU 24 2HD1 LEU 24 -0.673 4.817 7.175 166 3HD1 LEU 24 3HD1 LEU 24 -2.092 5.157 8.186 167 1HD2 LEU 24 1HD2 LEU 24 -2.219 2.560 9.606 168 2HD2 LEU 24 2HD2 LEU 24 -3.660 3.251 8.824 169 3HD2 LEU 24 3HD2 LEU 24 -3.151 1.583 8.472 170 H CYS 25 H CYS 25 -3.519 0.937 3.419 171 HA CYS 25 HA CYS 25 -4.431 2.984 1.803 172 1HB CYS 25 2HB CYS 25 -4.460 1.349 0.107 173 2HB CYS 25 3HB CYS 25 -3.202 0.908 1.271 174 H SER 26 H SER 26 -6.535 0.581 3.409 175 HA SER 26 HA SER 26 -8.826 1.097 1.743 176 1HB SER 26 2HB SER 26 -10.026 -0.298 3.347 177 2HB SER 26 3HB SER 26 -8.488 -1.029 2.875 178 HG SER 26 HG SER 26 -8.835 -1.114 5.159 179 H TYR 27 H TYR 27 -7.681 2.513 4.741 180 HA TYR 27 HA TYR 27 -9.962 4.142 5.387 181 1HB TYR 27 2HB TYR 27 -8.429 3.733 7.083 182 2HB TYR 27 3HB TYR 27 -7.042 4.050 6.075 183 HD1 TYR 27 1HD TYR 27 -9.988 5.901 7.553 184 HD2 TYR 27 2HD TYR 27 -5.845 5.972 6.361 185 HE1 TYR 27 1HE TYR 27 -9.749 8.193 8.503 186 HE2 TYR 27 2HE TYR 27 -5.610 8.271 7.278 187 HH TYR 27 HH TYR 27 -8.350 9.970 8.871 188 H TYR 28 H TYR 28 -7.612 4.399 2.835 189 HA TYR 28 HA TYR 28 -8.673 7.089 2.048 190 1HB TYR 28 2HB TYR 28 -6.066 5.668 1.392 191 2HB TYR 28 3HB TYR 28 -6.612 7.134 0.578 192 HD1 TYR 28 1HD TYR 28 -5.021 5.817 3.570 193 HD2 TYR 28 2HD TYR 28 -6.965 9.260 1.842 194 HE1 TYR 28 1HE TYR 28 -4.008 7.268 5.314 195 HE2 TYR 28 2HE TYR 28 -5.968 10.710 3.600 196 HH TYR 28 HH TYR 28 -4.631 10.810 5.452 197 H GLN 29 H GLN 29 -9.321 3.924 1.410 198 HA GLN 29 HA GLN 29 -9.966 2.641 -0.335 199 1HB GLN 29 2HB GLN 29 -11.299 5.196 -1.316 200 2HB GLN 29 3HB GLN 29 -11.733 3.539 -1.723 201 1HG GLN 29 2HG GLN 29 -13.325 4.092 -0.140 202 2HG GLN 29 3HG GLN 29 -12.151 3.162 0.794 203 1HE2 GLN 29 2HE2 GLN 29 -11.521 4.137 2.736 204 2HE2 GLN 29 1HE2 GLN 29 -11.694 5.866 3.065 205 H SER 30 H SER 30 -7.345 3.565 -0.684 206 HA SER 30 HA SER 30 -7.060 3.955 -3.655 207 1HB SER 30 2HB SER 30 -5.501 5.209 -1.369 208 2HB SER 30 3HB SER 30 -5.048 5.330 -3.083 209 HG SER 30 HG SER 30 -7.471 6.255 -1.901 210 H CYS 31 H CYS 31 -6.881 1.459 -1.903 211 HA CYS 31 HA CYS 31 -4.217 0.427 -1.913 212 1HB CYS 31 2HB CYS 31 -6.822 -1.086 -2.311 213 2HB CYS 31 3HB CYS 31 -5.302 -1.686 -1.637 214 H CYS 32 H CYS 32 -3.197 -1.122 -3.371 215 HA CYS 32 HA CYS 32 -3.432 -0.981 -6.128 216 1HB CYS 32 2HB CYS 32 -2.733 -3.606 -5.871 217 2HB CYS 32 3HB CYS 32 -1.620 -2.271 -5.700 218 H THR 33 H THR 33 -4.401 -2.245 -7.746 219 HA THR 33 HA THR 33 -7.179 -2.599 -7.536 220 HB THR 33 HB THR 33 -6.991 -3.779 -9.755 221 HG1 THR 33 1HG THR 33 -5.051 -4.783 -9.657 222 1HG2 THR 33 1HG2 THR 33 -6.140 -1.850 -10.972 223 2HG2 THR 33 2HG2 THR 33 -7.116 -1.308 -9.597 224 3HG2 THR 33 3HG2 THR 33 -5.341 -1.225 -9.514 225 H ASP 34 H ASP 34 -4.796 -4.866 -6.597 226 HA ASP 34 HA ASP 34 -6.839 -6.981 -6.100 227 1HB ASP 34 2HB ASP 34 -4.044 -7.339 -7.267 228 2HB ASP 34 3HB ASP 34 -5.126 -8.653 -6.785 229 H TYR 35 H TYR 35 -5.681 -4.896 -4.291 230 HA TYR 35 HA TYR 35 -3.529 -5.536 -2.779 231 1HB TYR 35 2HB TYR 35 -4.704 -3.505 -2.399 232 2HB TYR 35 3HB TYR 35 -6.147 -4.366 -1.846 233 HD1 TYR 35 1HD TYR 35 -6.302 -5.256 0.413 234 HD2 TYR 35 2HD TYR 35 -2.713 -3.244 -0.900 235 HE1 TYR 35 1HE TYR 35 -5.497 -5.157 2.758 236 HE2 TYR 35 2HE TYR 35 -1.907 -3.173 1.444 237 HH TYR 35 HH TYR 35 -3.836 -4.476 4.169 238 H THR 36 H THR 36 -6.748 -6.941 -1.963 239 HA THR 36 HA THR 36 -5.774 -8.462 0.246 240 HB THR 36 HB THR 36 -7.990 -9.765 -0.148 241 HG1 THR 36 1HG THR 36 -9.448 -8.613 -1.425 242 1HG2 THR 36 1HG2 THR 36 -9.236 -7.976 0.916 243 2HG2 THR 36 2HG2 THR 36 -7.578 -7.984 1.547 244 3HG2 THR 36 3HG2 THR 36 -8.066 -6.763 0.348 245 H ALA 37 H ALA 37 -5.246 -9.134 -3.030 246 HA ALA 37 HA ALA 37 -4.725 -12.030 -2.452 247 1HB ALA 37 1HB ALA 37 -5.517 -10.685 -5.066 248 2HB ALA 37 2HB ALA 37 -5.207 -12.418 -4.827 249 3HB ALA 37 3HB ALA 37 -6.588 -11.647 -4.020 250 H GLU 38 H GLU 38 -3.351 -9.056 -3.837 251 HA GLU 38 HA GLU 38 -0.804 -10.513 -4.467 252 1HB GLU 38 2HB GLU 38 -2.096 -8.038 -5.667 253 2HB GLU 38 3HB GLU 38 -0.468 -8.589 -6.066 254 1HG GLU 38 2HG GLU 38 -3.025 -10.181 -6.530 255 2HG GLU 38 3HG GLU 38 -2.151 -9.261 -7.746 256 H CYS 39 H CYS 39 -2.050 -7.912 -2.433 257 HA CYS 39 HA CYS 39 0.758 -7.052 -1.898 258 1HB CYS 39 2HB CYS 39 -1.507 -5.220 -1.386 259 2HB CYS 39 3HB CYS 39 0.135 -4.846 -1.806 260 H LYS 40 H LYS 40 -2.055 -8.323 -0.498 261 HA LYS 40 HA LYS 40 -2.301 -7.284 1.960 262 1HB LYS 40 2HB LYS 40 -3.757 -8.904 0.902 263 2HB LYS 40 3HB LYS 40 -2.613 -10.197 1.206 264 1HG LYS 40 2HG LYS 40 -2.934 -9.900 3.660 265 2HG LYS 40 3HG LYS 40 -3.991 -8.508 3.348 266 1HD LYS 40 2HD LYS 40 -5.388 -10.423 3.822 267 2HD LYS 40 3HD LYS 40 -5.558 -10.003 2.117 268 1HE LYS 40 2HE LYS 40 -3.659 -11.822 1.763 269 2HE LYS 40 3HE LYS 40 -4.106 -12.355 3.385 270 1HZ LYS 40 1HZ LYS 40 -6.413 -12.606 2.521 271 2HZ LYS 40 2HZ LYS 40 -5.901 -12.158 1.022 272 3HZ LYS 40 3HZ LYS 40 -5.363 -13.547 1.695 273 HA PRO 41 HA PRO 41 1.520 -8.149 4.321 274 1HB PRO 41 2HB PRO 41 -0.531 -7.499 6.450 275 2HB PRO 41 3HB PRO 41 1.184 -6.986 6.351 276 1HG PRO 41 2HG PRO 41 -0.820 -5.303 5.611 277 2HG PRO 41 3HG PRO 41 0.689 -5.401 4.641 278 1HD PRO 41 2HD PRO 41 -2.006 -6.585 4.018 279 2HD PRO 41 3HD PRO 41 -0.761 -5.906 2.940 280 H GLN 42 H GLN 42 2.082 -9.570 6.191 281 HA GLN 42 HA GLN 42 1.114 -12.217 5.826 282 1HB GLN 42 2HB GLN 42 3.424 -11.545 6.441 283 2HB GLN 42 3HB GLN 42 2.860 -11.152 8.077 284 1HG GLN 42 2HG GLN 42 2.113 -13.532 8.347 285 2HG GLN 42 3HG GLN 42 2.708 -13.897 6.726 286 1HE2 GLN 42 2HE2 GLN 42 3.579 -15.204 9.177 287 2HE2 GLN 42 1HE2 GLN 42 5.292 -14.821 9.348 288 H VAL 43 H VAL 43 -1.109 -12.187 6.180 289 HA VAL 43 HA VAL 43 -1.989 -12.548 9.014 290 HB VAL 43 HB VAL 43 -3.591 -11.078 6.869 291 1HG1 VAL 43 1HG1 VAL 43 -4.993 -12.315 8.497 292 2HG1 VAL 43 2HG1 VAL 43 -4.120 -11.546 9.842 293 3HG1 VAL 43 3HG1 VAL 43 -5.125 -10.574 8.747 294 1HG2 VAL 43 1HG2 VAL 43 -2.184 -9.942 9.322 295 2HG2 VAL 43 2HG2 VAL 43 -1.807 -9.586 7.620 296 3HG2 VAL 43 3HG2 VAL 43 -3.348 -9.068 8.297 297 H THR 44 H THR 44 -2.516 -14.643 9.145 298 HA THR 44 HA THR 44 -4.088 -16.000 7.005 299 HB THR 44 HB THR 44 -2.573 -17.931 7.066 300 HG1 THR 44 1HG THR 44 -0.523 -17.662 8.054 301 1HG2 THR 44 1HG2 THR 44 -2.143 -16.166 5.346 302 2HG2 THR 44 2HG2 THR 44 -0.935 -15.442 6.435 303 3HG2 THR 44 3HG2 THR 44 -0.697 -17.081 5.806 304 H ARG 45 H ARG 45 -5.005 -18.064 7.681 305 HA ARG 45 HA ARG 45 -6.032 -18.077 10.397 306 1HB ARG 45 2HB ARG 45 -7.250 -18.870 8.338 307 2HB ARG 45 3HB ARG 45 -6.167 -20.263 8.275 308 1HG ARG 45 2HG ARG 45 -6.988 -20.928 10.583 309 2HG ARG 45 3HG ARG 45 -8.070 -19.523 10.544 310 1HD ARG 45 2HD ARG 45 -9.403 -21.353 9.971 311 2HD ARG 45 3HD ARG 45 -9.104 -20.529 8.435 312 HE ARG 45 HE ARG 45 -7.113 -22.363 8.367 313 1HH1 ARG 45 1HH2 ARG 45 -10.489 -22.899 9.192 314 2HH1 ARG 45 2HH2 ARG 45 -10.414 -24.578 8.731 315 1HH2 ARG 45 1HH1 ARG 45 -7.089 -24.483 7.815 316 2HH2 ARG 45 2HH1 ARG 45 -8.544 -25.443 7.962 317 H GLY 46 H GLY 46 -3.425 -19.817 8.794 318 1HA GLY 46 2HA GLY 46 -1.655 -20.368 10.659 319 2HA GLY 46 3HA GLY 46 -2.887 -21.517 11.186 320 H ASP 47 H ASP 47 -3.511 -21.820 8.148 321 HA ASP 47 HA ASP 47 -2.279 -24.302 7.763 322 1HB ASP 47 2HB ASP 47 -3.728 -22.524 5.760 323 2HB ASP 47 3HB ASP 47 -3.513 -24.271 5.630 324 H VAL 48 H VAL 48 -0.132 -22.280 7.876 325 HA VAL 48 HA VAL 48 1.193 -22.641 5.208 326 HB VAL 48 HB VAL 48 1.254 -20.114 6.895 327 1HG1 VAL 48 1HG1 VAL 48 2.546 -20.782 4.206 328 2HG1 VAL 48 2HG1 VAL 48 2.512 -19.177 4.969 329 3HG1 VAL 48 3HG1 VAL 48 3.407 -20.487 5.734 330 1HG2 VAL 48 1HG2 VAL 48 0.151 -19.099 4.894 331 2HG2 VAL 48 2HG2 VAL 48 -0.028 -20.719 4.194 332 3HG2 VAL 48 3HG2 VAL 48 -0.874 -20.291 5.697 333 H PHE 49 H PHE 49 2.311 -24.394 5.871 334 HA PHE 49 HA PHE 49 3.553 -24.791 8.349 335 1HB PHE 49 2HB PHE 49 4.424 -26.024 5.719 336 2HB PHE 49 3HB PHE 49 4.544 -26.731 7.332 337 HD1 PHE 49 1HD PHE 49 2.150 -26.904 8.617 338 HD2 PHE 49 2HD PHE 49 2.700 -26.801 4.337 339 HE1 PHE 49 1HE PHE 49 -0.075 -27.964 8.300 340 HE2 PHE 49 2HE PHE 49 0.479 -27.862 4.027 341 HZ PHE 49 HZ PHE 49 -0.914 -28.441 6.006 342 H THR 50 H THR 50 4.755 -22.794 5.801 343 HA THR 50 HA THR 50 7.598 -23.062 6.449 344 HB THR 50 HB THR 50 7.832 -21.249 4.722 345 HG1 THR 50 1HG THR 50 5.984 -20.731 3.550 346 1HG2 THR 50 1HG2 THR 50 6.144 -23.627 3.820 347 2HG2 THR 50 2HG2 THR 50 7.234 -22.643 2.818 348 3HG2 THR 50 3HG2 THR 50 7.898 -23.663 4.105 349 H MET 51 H MET 51 5.118 -21.303 7.940 350 HA MET 51 HA MET 51 6.393 -18.820 8.589 351 1HB MET 51 2HB MET 51 4.339 -20.481 10.098 352 2HB MET 51 3HB MET 51 4.872 -18.869 10.595 353 1HG MET 51 2HG MET 51 4.176 -17.986 8.357 354 2HG MET 51 3HG MET 51 3.459 -19.561 7.997 355 1HE MET 51 1HE MET 51 0.533 -19.735 10.664 356 2HE MET 51 2HE MET 51 1.288 -20.550 9.279 357 3HE MET 51 3HE MET 51 2.161 -20.416 10.823 Start of MODEL 20 1 1H ASP 1 1H ASP 1 0.006 0.910 -19.118 2 2H ASP 1 2H ASP 1 1.387 0.665 -19.963 3 3H ASP 1 3H ASP 1 0.519 -0.613 -19.423 4 HA ASP 1 HA ASP 1 2.453 -0.325 -18.041 5 1HB ASP 1 2HB ASP 1 2.712 2.098 -18.493 6 2HB ASP 1 3HB ASP 1 1.284 2.435 -17.498 7 H GLN 2 H GLN 2 2.225 -1.419 -16.159 8 HA GLN 2 HA GLN 2 -0.188 -1.123 -14.467 9 1HB GLN 2 2HB GLN 2 0.700 -3.761 -15.726 10 2HB GLN 2 3HB GLN 2 -0.471 -3.607 -14.413 11 1HG GLN 2 2HG GLN 2 -1.918 -2.201 -15.916 12 2HG GLN 2 3HG GLN 2 -0.814 -2.557 -17.248 13 1HE2 GLN 2 2HE2 GLN 2 -3.660 -3.617 -15.735 14 2HE2 GLN 2 1HE2 GLN 2 -3.658 -5.253 -16.397 15 H GLU 3 H GLU 3 0.048 -2.223 -12.387 16 HA GLU 3 HA GLU 3 2.817 -2.860 -11.498 17 1HB GLU 3 2HB GLU 3 1.035 -0.720 -10.251 18 2HB GLU 3 3HB GLU 3 2.525 -1.361 -9.535 19 1HG GLU 3 2HG GLU 3 3.796 -0.571 -11.545 20 2HG GLU 3 3HG GLU 3 2.319 0.205 -12.137 21 H SER 4 H SER 4 2.838 -3.657 -9.215 22 HA SER 4 HA SER 4 0.403 -4.970 -8.209 23 1HB SER 4 2HB SER 4 1.206 -7.202 -8.432 24 2HB SER 4 3HB SER 4 1.366 -6.458 -10.032 25 HG SER 4 HG SER 4 3.265 -7.542 -9.554 26 H CYS 5 H CYS 5 1.166 -6.527 -6.327 27 HA CYS 5 HA CYS 5 2.376 -5.192 -4.175 28 1HB CYS 5 2HB CYS 5 1.005 -7.187 -3.979 29 2HB CYS 5 3HB CYS 5 2.156 -8.130 -4.922 30 H LYS 6 H LYS 6 4.026 -6.879 -6.861 31 HA LYS 6 HA LYS 6 6.374 -7.536 -5.349 32 1HB LYS 6 2HB LYS 6 5.883 -7.385 -8.347 33 2HB LYS 6 3HB LYS 6 7.399 -7.952 -7.615 34 1HG LYS 6 2HG LYS 6 6.150 -9.718 -6.382 35 2HG LYS 6 3HG LYS 6 4.640 -9.170 -7.132 36 1HD LYS 6 2HD LYS 6 5.427 -11.131 -8.273 37 2HD LYS 6 3HD LYS 6 5.537 -9.746 -9.371 38 1HE LYS 6 2HE LYS 6 7.976 -9.579 -8.898 39 2HE LYS 6 3HE LYS 6 7.855 -10.934 -7.768 40 1HZ LYS 6 1HZ LYS 6 7.285 -11.087 -10.683 41 2HZ LYS 6 2HZ LYS 6 8.624 -11.664 -9.952 42 3HZ LYS 6 3HZ LYS 6 7.174 -12.341 -9.640 43 H GLY 7 H GLY 7 7.893 -6.309 -4.636 44 1HA GLY 7 2HA GLY 7 9.436 -4.604 -4.398 45 2HA GLY 7 3HA GLY 7 9.041 -4.014 -6.021 46 H ARG 8 H ARG 8 6.225 -4.287 -4.055 47 HA ARG 8 HA ARG 8 6.368 -1.417 -3.167 48 1HB ARG 8 2HB ARG 8 4.053 -2.695 -4.679 49 2HB ARG 8 3HB ARG 8 4.080 -1.099 -3.944 50 1HG ARG 8 2HG ARG 8 6.183 -0.686 -5.483 51 2HG ARG 8 3HG ARG 8 5.544 -2.066 -6.392 52 1HD ARG 8 2HD ARG 8 4.680 -0.095 -7.387 53 2HD ARG 8 3HD ARG 8 3.321 -0.829 -6.513 54 HE ARG 8 HE ARG 8 3.992 0.824 -4.608 55 1HH1 ARG 8 1HH2 ARG 8 4.306 1.846 -7.999 56 2HH1 ARG 8 2HH2 ARG 8 4.510 3.500 -7.493 57 1HH2 ARG 8 1HH1 ARG 8 4.322 2.774 -4.121 58 2HH2 ARG 8 2HH1 ARG 8 4.511 4.042 -5.330 59 H CYS 9 H CYS 9 4.811 -4.579 -2.601 60 HA CYS 9 HA CYS 9 3.094 -3.958 -0.541 61 1HB CYS 9 2HB CYS 9 4.844 -6.320 -1.123 62 2HB CYS 9 3HB CYS 9 4.026 -6.217 0.449 63 H THR 10 H THR 10 3.164 -2.998 1.301 64 HA THR 10 HA THR 10 3.738 -2.139 3.279 65 HB THR 10 HB THR 10 6.116 -3.948 3.623 66 HG1 THR 10 1HG THR 10 4.708 -5.570 4.239 67 1HG2 THR 10 1HG2 THR 10 3.849 -3.107 5.498 68 2HG2 THR 10 2HG2 THR 10 5.271 -4.078 5.935 69 3HG2 THR 10 3HG2 THR 10 5.465 -2.380 5.490 70 H GLU 11 H GLU 11 4.900 -1.003 0.808 71 HA GLU 11 HA GLU 11 7.500 0.044 1.308 72 1HB GLU 11 2HB GLU 11 6.984 1.679 -0.392 73 2HB GLU 11 3HB GLU 11 6.557 0.059 -0.913 74 1HG GLU 11 2HG GLU 11 4.128 0.613 -0.408 75 2HG GLU 11 3HG GLU 11 4.642 2.244 0.041 76 H GLY 12 H GLY 12 4.647 0.897 2.929 77 1HA GLY 12 2HA GLY 12 4.407 2.458 4.676 78 2HA GLY 12 3HA GLY 12 5.775 3.397 4.093 79 H PHE 13 H PHE 13 2.822 3.900 4.712 80 HA PHE 13 HA PHE 13 1.482 4.660 2.314 81 1HB PHE 13 2HB PHE 13 0.130 4.213 4.148 82 2HB PHE 13 3HB PHE 13 1.104 5.196 5.258 83 HD1 PHE 13 1HD PHE 13 -1.387 5.316 2.479 84 HD2 PHE 13 2HD PHE 13 0.656 7.538 5.565 85 HE1 PHE 13 1HE PHE 13 -2.950 7.212 2.162 86 HE2 PHE 13 2HE PHE 13 -0.893 9.445 5.221 87 HZ PHE 13 HZ PHE 13 -2.693 9.286 3.518 88 H ASN 14 H ASN 14 1.351 6.408 1.178 89 HA ASN 14 HA ASN 14 1.822 9.084 2.076 90 1HB ASN 14 2HB ASN 14 4.191 8.634 1.680 91 2HB ASN 14 3HB ASN 14 3.825 7.871 0.125 92 1HD2 ASN 14 2HD2 ASN 14 5.557 9.493 -0.534 93 2HD2 ASN 14 1HD2 ASN 14 4.946 11.067 -1.032 94 H VAL 15 H VAL 15 -0.191 9.569 1.336 95 HA VAL 15 HA VAL 15 -1.458 8.240 -0.757 96 HB VAL 15 HB VAL 15 -2.443 9.276 1.210 97 1HG1 VAL 15 1HG1 VAL 15 -1.561 11.538 1.068 98 2HG1 VAL 15 2HG1 VAL 15 -2.613 11.845 -0.344 99 3HG1 VAL 15 3HG1 VAL 15 -3.317 11.459 1.254 100 1HG2 VAL 15 1HG2 VAL 15 -3.953 9.805 -1.333 101 2HG2 VAL 15 2HG2 VAL 15 -3.753 8.225 -0.524 102 3HG2 VAL 15 3HG2 VAL 15 -4.608 9.535 0.298 103 H ASP 16 H ASP 16 0.846 10.611 -1.280 104 HA ASP 16 HA ASP 16 -0.074 11.603 -3.858 105 1HB ASP 16 2HB ASP 16 1.582 12.742 -2.381 106 2HB ASP 16 3HB ASP 16 2.711 11.409 -2.673 107 H LYS 17 H LYS 17 1.464 8.610 -2.810 108 HA LYS 17 HA LYS 17 2.758 7.867 -5.290 109 1HB LYS 17 2HB LYS 17 1.751 6.182 -2.957 110 2HB LYS 17 3HB LYS 17 2.726 5.554 -4.280 111 1HG LYS 17 2HG LYS 17 4.641 6.808 -3.618 112 2HG LYS 17 3HG LYS 17 3.712 7.779 -2.450 113 1HD LYS 17 2HD LYS 17 3.250 5.857 -1.067 114 2HD LYS 17 3HD LYS 17 3.920 4.742 -2.257 115 1HE LYS 17 2HE LYS 17 5.595 6.877 -0.865 116 2HE LYS 17 3HE LYS 17 5.336 5.253 -0.200 117 1HZ LYS 17 1HZ LYS 17 6.283 4.320 -2.220 118 2HZ LYS 17 2HZ LYS 17 6.612 5.816 -2.821 119 3HZ LYS 17 3HZ LYS 17 7.369 5.288 -1.470 120 H LYS 18 H LYS 18 2.133 6.513 -6.940 121 HA LYS 18 HA LYS 18 -0.585 6.473 -7.740 122 1HB LYS 18 2HB LYS 18 1.341 6.467 -9.273 123 2HB LYS 18 3HB LYS 18 1.735 4.813 -8.788 124 1HG LYS 18 2HG LYS 18 0.632 4.848 -10.956 125 2HG LYS 18 3HG LYS 18 -0.411 4.033 -9.781 126 1HD LYS 18 2HD LYS 18 -1.703 6.182 -9.522 127 2HD LYS 18 3HD LYS 18 -0.676 6.913 -10.771 128 1HE LYS 18 2HE LYS 18 -1.413 5.169 -12.386 129 2HE LYS 18 3HE LYS 18 -2.434 4.443 -11.138 130 1HZ LYS 18 1HZ LYS 18 -3.706 6.522 -11.063 131 2HZ LYS 18 2HZ LYS 18 -2.761 7.196 -12.215 132 3HZ LYS 18 3HZ LYS 18 -3.712 5.923 -12.579 133 H CYS 19 H CYS 19 1.139 4.093 -5.855 134 HA CYS 19 HA CYS 19 -1.453 2.660 -5.462 135 1HB CYS 19 2HB CYS 19 0.015 1.112 -6.743 136 2HB CYS 19 3HB CYS 19 1.281 1.325 -5.522 137 H GLN 20 H GLN 20 -2.051 2.590 -3.414 138 HA GLN 20 HA GLN 20 -0.098 3.189 -1.235 139 1HB GLN 20 2HB GLN 20 -3.113 2.794 -1.171 140 2HB GLN 20 3HB GLN 20 -2.080 3.258 0.200 141 1HG GLN 20 2HG GLN 20 -2.724 4.903 -2.269 142 2HG GLN 20 3HG GLN 20 -3.124 5.257 -0.580 143 1HE2 GLN 20 2HE2 GLN 20 -1.074 6.302 -2.995 144 2HE2 GLN 20 1HE2 GLN 20 0.200 6.858 -1.901 145 H CYS 21 H CYS 21 0.969 1.160 -2.104 146 HA CYS 21 HA CYS 21 -0.356 -1.416 -1.630 147 1HB CYS 21 2HB CYS 21 2.424 -0.538 -2.466 148 2HB CYS 21 3HB CYS 21 1.969 -2.225 -2.262 149 H ASP 22 H ASP 22 -0.524 -0.044 0.736 150 HA ASP 22 HA ASP 22 1.433 -1.279 2.599 151 1HB ASP 22 2HB ASP 22 2.276 0.967 1.842 152 2HB ASP 22 3HB ASP 22 0.802 1.702 2.500 153 H GLU 23 H GLU 23 0.891 -0.882 4.862 154 HA GLU 23 HA GLU 23 -1.447 -2.198 5.507 155 1HB GLU 23 2HB GLU 23 0.229 -0.513 7.396 156 2HB GLU 23 3HB GLU 23 -0.723 -1.946 7.794 157 1HG GLU 23 2HG GLU 23 0.791 -3.311 6.325 158 2HG GLU 23 3HG GLU 23 1.801 -1.880 6.072 159 H LEU 24 H LEU 24 -1.400 1.202 4.997 160 HA LEU 24 HA LEU 24 -3.853 1.652 6.680 161 1HB LEU 24 2HB LEU 24 -1.803 3.601 5.565 162 2HB LEU 24 3HB LEU 24 -3.240 4.058 6.473 163 HG LEU 24 HG LEU 24 -0.936 2.395 7.569 164 1HD1 LEU 24 1HD1 LEU 24 -1.777 5.273 8.110 165 2HD1 LEU 24 2HD1 LEU 24 -0.448 4.399 8.905 166 3HD1 LEU 24 3HD1 LEU 24 -0.357 4.760 7.175 167 1HD2 LEU 24 1HD2 LEU 24 -3.018 1.790 8.719 168 2HD2 LEU 24 2HD2 LEU 24 -2.034 2.802 9.777 169 3HD2 LEU 24 3HD2 LEU 24 -3.433 3.506 8.932 170 H CYS 25 H CYS 25 -3.151 0.960 3.483 171 HA CYS 25 HA CYS 25 -4.431 3.077 2.104 172 1HB CYS 25 2HB CYS 25 -4.256 1.662 0.208 173 2HB CYS 25 3HB CYS 25 -2.840 1.393 1.250 174 H SER 26 H SER 26 -5.921 0.170 3.534 175 HA SER 26 HA SER 26 -8.307 0.248 1.949 176 1HB SER 26 2HB SER 26 -9.167 -1.388 3.499 177 2HB SER 26 3HB SER 26 -7.489 -1.756 3.092 178 HG SER 26 HG SER 26 -7.879 -1.919 5.361 179 H TYR 27 H TYR 27 -7.387 1.922 4.871 180 HA TYR 27 HA TYR 27 -9.942 3.084 5.552 181 1HB TYR 27 2HB TYR 27 -8.411 3.025 7.270 182 2HB TYR 27 3HB TYR 27 -7.057 3.454 6.262 183 HD1 TYR 27 1HD TYR 27 -6.196 5.597 6.202 184 HD2 TYR 27 2HD TYR 27 -10.134 4.932 7.828 185 HE1 TYR 27 1HE TYR 27 -6.269 7.964 6.972 186 HE2 TYR 27 2HE TYR 27 -10.201 7.293 8.628 187 HH TYR 27 HH TYR 27 -9.097 9.294 8.752 188 H TYR 28 H TYR 28 -7.652 3.780 3.008 189 HA TYR 28 HA TYR 28 -9.087 6.299 2.265 190 1HB TYR 28 2HB TYR 28 -6.362 5.178 1.528 191 2HB TYR 28 3HB TYR 28 -7.100 6.557 0.714 192 HD1 TYR 28 1HD TYR 28 -5.187 5.506 3.622 193 HD2 TYR 28 2HD TYR 28 -7.635 8.655 1.963 194 HE1 TYR 28 1HE TYR 28 -4.206 7.124 5.231 195 HE2 TYR 28 2HE TYR 28 -6.648 10.273 3.586 196 HH TYR 28 HH TYR 28 -4.159 9.297 5.971 197 H GLN 29 H GLN 29 -9.078 3.015 1.482 198 HA GLN 29 HA GLN 29 -9.674 1.716 -0.238 199 1HB GLN 29 2HB GLN 29 -11.513 3.987 -1.076 200 2HB GLN 29 3HB GLN 29 -11.627 2.291 -1.528 201 1HG GLN 29 2HG GLN 29 -13.227 2.454 0.125 202 2HG GLN 29 3HG GLN 29 -11.850 1.763 0.987 203 1HE2 GLN 29 2HE2 GLN 29 -11.437 2.762 2.962 204 2HE2 GLN 29 1HE2 GLN 29 -11.904 4.426 3.343 205 H SER 30 H SER 30 -7.275 3.106 -0.684 206 HA SER 30 HA SER 30 -7.204 3.528 -3.650 207 1HB SER 30 2HB SER 30 -5.487 5.251 -3.160 208 2HB SER 30 3HB SER 30 -7.075 5.607 -2.446 209 HG SER 30 HG SER 30 -5.400 5.933 -0.939 210 H CYS 31 H CYS 31 -6.488 1.119 -1.884 211 HA CYS 31 HA CYS 31 -3.719 0.527 -2.059 212 1HB CYS 31 2HB CYS 31 -6.031 -1.425 -2.278 213 2HB CYS 31 3HB CYS 31 -4.411 -1.682 -1.603 214 H CYS 32 H CYS 32 -2.707 -1.243 -3.470 215 HA CYS 32 HA CYS 32 -2.853 -1.054 -6.198 216 1HB CYS 32 2HB CYS 32 -2.396 -3.746 -5.996 217 2HB CYS 32 3HB CYS 32 -1.176 -2.500 -5.834 218 H THR 33 H THR 33 -3.766 -2.147 -7.908 219 HA THR 33 HA THR 33 -6.479 -2.293 -8.081 220 HB THR 33 HB THR 33 -4.649 -4.016 -9.782 221 HG1 THR 33 1HG THR 33 -4.259 -2.132 -10.951 222 1HG2 THR 33 1HG2 THR 33 -7.030 -4.179 -10.403 223 2HG2 THR 33 2HG2 THR 33 -7.163 -2.406 -10.436 224 3HG2 THR 33 3HG2 THR 33 -6.149 -3.258 -11.624 225 H ASP 34 H ASP 34 -4.470 -4.970 -6.996 226 HA ASP 34 HA ASP 34 -6.920 -6.608 -6.476 227 1HB ASP 34 2HB ASP 34 -4.212 -7.569 -7.476 228 2HB ASP 34 3HB ASP 34 -5.560 -8.612 -6.991 229 H TYR 35 H TYR 35 -5.109 -4.754 -4.748 230 HA TYR 35 HA TYR 35 -3.500 -5.756 -2.915 231 1HB TYR 35 2HB TYR 35 -4.324 -3.495 -2.791 232 2HB TYR 35 3HB TYR 35 -5.931 -4.058 -2.345 233 HD1 TYR 35 1HD TYR 35 -2.439 -3.556 -1.108 234 HD2 TYR 35 2HD TYR 35 -6.488 -4.653 -0.070 235 HE1 TYR 35 1HE TYR 35 -1.881 -3.324 1.294 236 HE2 TYR 35 2HE TYR 35 -5.943 -4.343 2.330 237 HH TYR 35 HH TYR 35 -4.373 -3.704 3.856 238 H THR 36 H THR 36 -7.032 -6.205 -2.257 239 HA THR 36 HA THR 36 -6.560 -7.656 0.085 240 HB THR 36 HB THR 36 -9.129 -8.125 -1.392 241 HG1 THR 36 1HG THR 36 -9.789 -6.030 -0.902 242 1HG2 THR 36 1HG2 THR 36 -8.914 -8.836 0.972 243 2HG2 THR 36 2HG2 THR 36 -8.403 -7.198 1.434 244 3HG2 THR 36 3HG2 THR 36 -10.057 -7.494 0.846 245 H ALA 37 H ALA 37 -6.107 -8.884 -3.041 246 HA ALA 37 HA ALA 37 -6.119 -11.694 -1.996 247 1HB ALA 37 1HB ALA 37 -7.858 -11.344 -3.703 248 2HB ALA 37 2HB ALA 37 -6.634 -10.717 -4.834 249 3HB ALA 37 3HB ALA 37 -6.573 -12.411 -4.302 250 H GLU 38 H GLU 38 -4.288 -9.226 -3.770 251 HA GLU 38 HA GLU 38 -2.019 -11.147 -4.138 252 1HB GLU 38 2HB GLU 38 -2.773 -8.667 -5.713 253 2HB GLU 38 3HB GLU 38 -1.406 -9.727 -6.054 254 1HG GLU 38 2HG GLU 38 -4.350 -10.495 -6.211 255 2HG GLU 38 3HG GLU 38 -3.281 -10.167 -7.567 256 H CYS 39 H CYS 39 -2.737 -8.123 -2.517 257 HA CYS 39 HA CYS 39 0.183 -7.847 -1.950 258 1HB CYS 39 2HB CYS 39 -1.624 -5.508 -1.656 259 2HB CYS 39 3HB CYS 39 0.095 -5.533 -1.927 260 H LYS 40 H LYS 40 -2.803 -8.507 -0.537 261 HA LYS 40 HA LYS 40 -3.133 -7.198 1.714 262 1HB LYS 40 2HB LYS 40 -4.591 -8.895 0.790 263 2HB LYS 40 3HB LYS 40 -3.547 -10.180 1.409 264 1HG LYS 40 2HG LYS 40 -4.018 -9.543 3.702 265 2HG LYS 40 3HG LYS 40 -4.860 -8.063 3.179 266 1HD LYS 40 2HD LYS 40 -6.646 -9.365 2.163 267 2HD LYS 40 3HD LYS 40 -5.775 -10.886 2.472 268 1HE LYS 40 2HE LYS 40 -5.876 -10.437 4.902 269 2HE LYS 40 3HE LYS 40 -6.778 -8.945 4.609 270 1HZ LYS 40 1HZ LYS 40 -8.593 -10.245 3.709 271 2HZ LYS 40 2HZ LYS 40 -7.742 -11.640 3.799 272 3HZ LYS 40 3HZ LYS 40 -8.205 -10.890 5.167 273 HA PRO 41 HA PRO 41 0.324 -8.358 4.522 274 1HB PRO 41 2HB PRO 41 0.451 -6.046 5.909 275 2HB PRO 41 3HB PRO 41 1.001 -6.121 4.210 276 1HG PRO 41 2HG PRO 41 -1.637 -5.084 5.273 277 2HG PRO 41 3HG PRO 41 -0.568 -4.365 4.021 278 1HD PRO 41 2HD PRO 41 -2.788 -6.018 3.544 279 2HD PRO 41 3HD PRO 41 -1.480 -5.686 2.374 280 H GLN 42 H GLN 42 0.241 -7.955 7.086 281 HA GLN 42 HA GLN 42 -0.616 -9.098 8.922 282 1HB GLN 42 2HB GLN 42 -2.449 -6.683 8.694 283 2HB GLN 42 3HB GLN 42 -2.003 -7.570 10.166 284 1HG GLN 42 2HG GLN 42 0.418 -6.907 9.686 285 2HG GLN 42 3HG GLN 42 -0.206 -5.833 8.427 286 1HE2 GLN 42 2HE2 GLN 42 1.066 -4.304 10.053 287 2HE2 GLN 42 1HE2 GLN 42 0.162 -3.767 11.498 288 H VAL 43 H VAL 43 -1.475 -10.936 7.581 289 HA VAL 43 HA VAL 43 -3.985 -11.245 6.586 290 HB VAL 43 HB VAL 43 -2.175 -12.823 6.285 291 1HG1 VAL 43 1HG1 VAL 43 -1.385 -13.072 8.634 292 2HG1 VAL 43 2HG1 VAL 43 -2.850 -14.006 9.008 293 3HG1 VAL 43 3HG1 VAL 43 -1.678 -14.620 7.829 294 1HG2 VAL 43 1HG2 VAL 43 -4.502 -13.460 5.702 295 2HG2 VAL 43 2HG2 VAL 43 -3.482 -14.844 6.118 296 3HG2 VAL 43 3HG2 VAL 43 -4.668 -14.248 7.291 297 H THR 44 H THR 44 -6.000 -11.650 7.137 298 HA THR 44 HA THR 44 -6.897 -11.150 9.841 299 HB THR 44 HB THR 44 -9.184 -11.368 8.735 300 HG1 THR 44 1HG THR 44 -8.627 -12.606 6.967 301 1HG2 THR 44 1HG2 THR 44 -7.211 -9.395 7.505 302 2HG2 THR 44 2HG2 THR 44 -8.984 -9.247 7.537 303 3HG2 THR 44 3HG2 THR 44 -8.065 -9.191 9.050 304 H ARG 45 H ARG 45 -5.668 -13.153 10.530 305 HA ARG 45 HA ARG 45 -6.326 -15.810 10.039 306 1HB ARG 45 2HB ARG 45 -4.401 -15.018 11.341 307 2HB ARG 45 3HB ARG 45 -5.468 -14.482 12.645 308 1HG ARG 45 2HG ARG 45 -6.137 -16.829 13.082 309 2HG ARG 45 3HG ARG 45 -5.082 -17.378 11.755 310 1HD ARG 45 2HD ARG 45 -3.114 -16.540 12.951 311 2HD ARG 45 3HD ARG 45 -4.148 -15.830 14.209 312 HE ARG 45 HE ARG 45 -4.693 -18.637 13.977 313 1HH1 ARG 45 1HH2 ARG 45 -2.188 -16.544 15.251 314 2HH1 ARG 45 2HH2 ARG 45 -1.732 -17.688 16.483 315 1HH2 ARG 45 1HH1 ARG 45 -4.068 -20.045 15.576 316 2HH2 ARG 45 2HH1 ARG 45 -2.771 -19.619 16.653 317 H GLY 46 H GLY 46 -8.082 -13.656 12.195 318 1HA GLY 46 2HA GLY 46 -10.568 -14.384 12.368 319 2HA GLY 46 3HA GLY 46 -9.908 -15.849 13.108 320 H ASP 47 H ASP 47 -7.768 -14.485 14.520 321 HA ASP 47 HA ASP 47 -9.149 -12.663 16.436 322 1HB ASP 47 2HB ASP 47 -8.954 -15.066 17.233 323 2HB ASP 47 3HB ASP 47 -7.202 -14.882 17.177 324 H VAL 48 H VAL 48 -7.163 -12.476 14.131 325 HA VAL 48 HA VAL 48 -5.474 -10.346 15.267 326 HB VAL 48 HB VAL 48 -4.312 -12.477 13.410 327 1HG1 VAL 48 1HG1 VAL 48 -3.361 -10.249 12.978 328 2HG1 VAL 48 2HG1 VAL 48 -3.043 -10.025 14.716 329 3HG1 VAL 48 3HG1 VAL 48 -2.174 -11.264 13.789 330 1HG2 VAL 48 1HG2 VAL 48 -2.754 -12.996 15.280 331 2HG2 VAL 48 2HG2 VAL 48 -3.700 -11.931 16.344 332 3HG2 VAL 48 3HG2 VAL 48 -4.424 -13.409 15.670 333 H PHE 49 H PHE 49 -5.532 -8.622 13.927 334 HA PHE 49 HA PHE 49 -6.191 -8.798 11.075 335 1HB PHE 49 2HB PHE 49 -8.256 -7.468 11.247 336 2HB PHE 49 3HB PHE 49 -8.413 -9.046 12.009 337 HD1 PHE 49 1HD PHE 49 -8.591 -9.264 14.483 338 HD2 PHE 49 2HD PHE 49 -8.386 -5.410 12.562 339 HE1 PHE 49 1HE PHE 49 -9.342 -8.174 16.584 340 HE2 PHE 49 2HE PHE 49 -9.132 -4.321 14.665 341 HZ PHE 49 HZ PHE 49 -9.606 -5.701 16.682 342 H THR 50 H THR 50 -5.471 -6.764 13.903 343 HA THR 50 HA THR 50 -3.986 -4.885 12.139 344 HB THR 50 HB THR 50 -5.906 -4.038 14.344 345 HG1 THR 50 1HG THR 50 -6.931 -2.969 12.632 346 1HG2 THR 50 1HG2 THR 50 -4.045 -2.383 12.573 347 2HG2 THR 50 2HG2 THR 50 -5.330 -1.714 13.607 348 3HG2 THR 50 3HG2 THR 50 -3.958 -2.540 14.343 349 H MET 51 H MET 51 -2.032 -4.481 12.868 350 HA MET 51 HA MET 51 -1.220 -4.790 15.721 351 1HB MET 51 2HB MET 51 0.145 -6.033 13.293 352 2HB MET 51 3HB MET 51 0.810 -5.992 14.927 353 1HG MET 51 2HG MET 51 -1.093 -7.324 15.755 354 2HG MET 51 3HG MET 51 -1.760 -7.412 14.116 355 1HE MET 51 1HE MET 51 0.633 -7.999 12.174 356 2HE MET 51 2HE MET 51 0.626 -9.774 12.211 357 3HE MET 51 3HE MET 51 -0.912 -8.883 12.203
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