NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
11244 | 1r73 | 5977 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1H MET 1 9.147 6.697 -2.559 2 HA MET 1 HA MET 1 11.423 5.858 -2.217 3 1HB MET 1 1HB MET 1 10.781 8.704 -1.480 4 2HB MET 1 2HB MET 1 12.460 8.129 -1.471 5 1HG MET 1 1HG MET 1 12.409 7.509 -3.751 6 2HG MET 1 2HG MET 1 10.662 7.693 -3.875 7 1HE MET 1 1HE MET 1 9.965 11.370 -4.283 8 2HE MET 1 2HE MET 1 9.407 9.697 -4.458 9 3HE MET 1 3HE MET 1 9.717 10.369 -2.840 10 H LYS 2 H LYS 2 11.615 7.943 0.668 11 HA LYS 2 HA LYS 2 12.844 5.788 2.097 12 1HB LYS 2 1HB LYS 2 12.611 7.355 4.093 13 2HB LYS 2 2HB LYS 2 13.619 7.883 2.749 14 1HG LYS 2 1HG LYS 2 12.045 9.442 1.986 15 2HG LYS 2 2HG LYS 2 10.709 8.739 2.913 16 1HD LYS 2 1HD LYS 2 11.735 9.434 4.999 17 2HD LYS 2 2HD LYS 2 13.137 10.112 4.158 18 1HE LYS 2 1HE LYS 2 10.245 11.018 3.750 19 2HE LYS 2 2HE LYS 2 11.382 11.802 4.847 20 1HZ LYS 2 1HZ LYS 2 11.369 12.969 2.829 21 2HZ LYS 2 2HZ LYS 2 12.817 12.233 2.946 22 3HZ LYS 2 3HZ LYS 2 11.668 11.627 1.919 23 H ALA 3 H ALA 3 12.136 4.868 4.111 24 HA ALA 3 HA ALA 3 9.250 4.610 4.596 25 1HB ALA 3 1HB ALA 3 11.315 2.400 4.246 26 2HB ALA 3 2HB ALA 3 9.872 2.194 5.254 27 3HB ALA 3 3HB ALA 3 9.700 2.573 3.527 28 H SER 4 H SER 4 12.151 3.330 5.858 29 HA SER 4 HA SER 4 12.883 2.657 7.746 30 1HB SER 4 1HB SER 4 11.778 5.255 8.882 31 2HB SER 4 2HB SER 4 12.464 3.972 9.899 32 HG SER 4 HG SER 4 13.798 5.832 8.729 33 H GLU 5 H GLU 5 9.811 4.055 8.214 34 HA GLU 5 HA GLU 5 9.003 2.126 10.244 35 1HB GLU 5 1HB GLU 5 6.851 3.120 10.318 36 2HB GLU 5 2HB GLU 5 8.052 4.390 10.105 37 1HG GLU 5 1HG GLU 5 7.461 4.239 7.568 38 2HG GLU 5 2HG GLU 5 6.040 3.339 8.102 39 H LEU 6 H LEU 6 8.001 2.456 6.885 40 HA LEU 6 HA LEU 6 6.511 0.021 6.758 41 1HB LEU 6 1HB LEU 6 7.727 1.953 4.747 42 2HB LEU 6 2HB LEU 6 6.995 0.479 4.175 43 HG LEU 6 HG LEU 6 5.507 2.400 6.028 44 1HD1 LEU 6 1HD1 LEU 6 6.228 3.734 4.181 45 2HD1 LEU 6 2HD1 LEU 6 5.800 2.485 3.002 46 3HD1 LEU 6 3HD1 LEU 6 4.526 3.346 3.922 47 1HD2 LEU 6 1HD2 LEU 6 4.517 0.160 5.808 48 2HD2 LEU 6 2HD2 LEU 6 3.518 1.347 4.989 49 3HD2 LEU 6 3HD2 LEU 6 4.587 0.274 4.040 50 H ARG 7 H ARG 7 10.033 0.328 6.555 51 HA ARG 7 HA ARG 7 10.103 -2.476 5.697 52 1HB ARG 7 1HB ARG 7 12.315 -2.126 5.266 53 2HB ARG 7 2HB ARG 7 11.469 -0.823 4.484 54 1HG ARG 7 1HG ARG 7 13.527 -0.063 5.193 55 2HG ARG 7 2HG ARG 7 12.331 0.738 6.192 56 1HD ARG 7 1HD ARG 7 13.015 -0.689 8.112 57 2HD ARG 7 2HD ARG 7 14.055 -1.639 7.033 58 HE ARG 7 HE ARG 7 14.619 1.233 7.094 59 1HH1 ARG 7 2HH2 ARG 7 15.477 -1.883 8.612 60 2HH1 ARG 7 1HH2 ARG 7 16.973 -1.321 9.246 61 1HH2 ARG 7 2HH1 ARG 7 16.579 1.948 7.735 62 2HH2 ARG 7 1HH1 ARG 7 17.671 1.002 8.654 63 H ASN 8 H ASN 8 9.955 -0.577 8.426 64 HA ASN 8 HA ASN 8 11.889 -2.013 10.080 65 1HB ASN 8 1HB ASN 8 11.618 0.365 10.486 66 2HB ASN 8 2HB ASN 8 9.891 0.137 10.828 67 1HD2 ASN 8 1HD2 ASN 8 9.429 0.142 12.990 68 2HD2 ASN 8 2HD2 ASN 8 10.496 -0.444 14.243 69 H TYR 9 H TYR 9 8.333 -2.336 9.493 70 HA TYR 9 HA TYR 9 7.754 -3.752 11.802 71 1HB TYR 9 1HB TYR 9 6.511 -3.700 9.065 72 2HB TYR 9 2HB TYR 9 5.849 -4.466 10.478 73 HD1 TYR 9 HD1 TYR 9 5.734 -2.867 12.644 74 HD2 TYR 9 HD2 TYR 9 5.815 -1.586 8.531 75 HE1 TYR 9 HE1 TYR 9 4.868 -0.633 13.326 76 HE2 TYR 9 HE2 TYR 9 4.924 0.635 9.189 77 HH TYR 9 HH TYR 9 4.718 2.107 11.114 78 H THR 10 H THR 10 7.284 -6.180 11.863 79 HA THR 10 HA THR 10 9.692 -7.575 10.912 80 HB THR 10 HB THR 10 8.738 -9.438 12.067 81 HG1 THR 10 HG1 THR 10 6.611 -7.786 12.878 82 1HG2 THR 10 1HG2 THR 10 10.038 -7.833 13.424 83 2HG2 THR 10 2HG2 THR 10 8.553 -6.935 13.800 84 3HG2 THR 10 3HG2 THR 10 8.758 -8.596 14.391 85 H ASP 11 H ASP 11 9.340 -9.785 9.699 86 HA ASP 11 HA ASP 11 8.205 -9.121 7.188 87 1HB ASP 11 1HB ASP 11 9.373 -11.575 8.412 88 2HB ASP 11 2HB ASP 11 8.324 -11.820 7.026 89 H GLU 12 H GLU 12 6.661 -10.617 9.905 90 HA GLU 12 HA GLU 12 4.310 -11.535 8.518 91 1HB GLU 12 1HB GLU 12 5.368 -12.431 10.655 92 2HB GLU 12 2HB GLU 12 4.850 -10.987 11.477 93 1HG GLU 12 1HG GLU 12 3.261 -12.727 11.969 94 2HG GLU 12 2HG GLU 12 2.438 -11.669 10.839 95 H GLU 13 H GLU 13 5.132 -8.669 10.520 96 HA GLU 13 HA GLU 13 2.527 -7.393 10.345 97 1HB GLU 13 1HB GLU 13 5.372 -6.502 10.859 98 2HB GLU 13 2HB GLU 13 4.029 -5.358 10.923 99 1HG GLU 13 1HG GLU 13 3.004 -6.689 12.718 100 2HG GLU 13 2HG GLU 13 4.304 -7.878 12.623 101 H LEU 14 H LEU 14 5.578 -7.099 8.539 102 HA LEU 14 HA LEU 14 4.984 -4.926 6.897 103 1HB LEU 14 1HB LEU 14 6.709 -7.375 6.324 104 2HB LEU 14 2HB LEU 14 6.696 -5.934 5.307 105 HG LEU 14 HG LEU 14 7.322 -5.726 8.250 106 1HD1 LEU 14 1HD1 LEU 14 9.027 -7.237 7.686 107 2HD1 LEU 14 2HD1 LEU 14 9.177 -6.606 6.035 108 3HD1 LEU 14 3HD1 LEU 14 9.791 -5.694 7.418 109 1HD2 LEU 14 1HD2 LEU 14 8.372 -3.760 7.859 110 2HD2 LEU 14 2HD2 LEU 14 8.434 -4.008 6.072 111 3HD2 LEU 14 3HD2 LEU 14 6.894 -3.649 6.893 112 H LYS 15 H LYS 15 4.547 -8.441 6.079 113 HA LYS 15 HA LYS 15 3.201 -7.969 3.627 114 1HB LYS 15 1HB LYS 15 2.191 -10.162 3.956 115 2HB LYS 15 2HB LYS 15 3.962 -10.146 4.047 116 1HG LYS 15 1HG LYS 15 3.690 -11.506 5.829 117 2HG LYS 15 2HG LYS 15 3.387 -10.004 6.672 118 1HD LYS 15 1HD LYS 15 1.559 -11.340 7.366 119 2HD LYS 15 2HD LYS 15 0.841 -10.482 6.009 120 1HE LYS 15 1HE LYS 15 0.201 -12.600 5.449 121 2HE LYS 15 2HE LYS 15 1.766 -12.564 4.620 122 1HZ LYS 15 1HZ LYS 15 0.910 -14.124 6.854 123 2HZ LYS 15 2HZ LYS 15 2.140 -14.402 5.786 124 3HZ LYS 15 3HZ LYS 15 2.355 -13.458 7.141 125 H ASN 16 H ASN 16 1.928 -8.232 7.001 126 HA ASN 16 HA ASN 16 -0.778 -8.210 6.090 127 1HB ASN 16 1HB ASN 16 0.144 -9.133 8.271 128 2HB ASN 16 2HB ASN 16 0.483 -7.473 8.781 129 1HD2 ASN 16 1HD2 ASN 16 -0.966 -6.959 10.339 130 2HD2 ASN 16 2HD2 ASN 16 -2.683 -7.278 10.328 131 H LEU 17 H LEU 17 1.421 -5.741 6.187 132 HA LEU 17 HA LEU 17 -0.704 -3.597 6.566 133 1HB LEU 17 1HB LEU 17 2.250 -3.627 7.097 134 2HB LEU 17 2HB LEU 17 1.634 -2.204 6.262 135 HG LEU 17 HG LEU 17 -0.133 -1.998 8.097 136 1HD1 LEU 17 1HD1 LEU 17 0.445 -3.019 10.272 137 2HD1 LEU 17 2HD1 LEU 17 0.109 -4.270 9.065 138 3HD1 LEU 17 3HD1 LEU 17 1.784 -3.912 9.520 139 1HD2 LEU 17 1HD2 LEU 17 2.802 -1.680 8.849 140 2HD2 LEU 17 2HD2 LEU 17 1.835 -0.527 7.900 141 3HD2 LEU 17 3HD2 LEU 17 1.428 -0.836 9.594 142 H LEU 18 H LEU 18 1.995 -4.646 4.523 143 HA LEU 18 HA LEU 18 1.396 -2.655 2.543 144 1HB LEU 18 1HB LEU 18 3.123 -5.124 2.148 145 2HB LEU 18 2HB LEU 18 3.214 -3.624 1.266 146 HG LEU 18 HG LEU 18 4.662 -4.528 3.601 147 1HD1 LEU 18 1HD1 LEU 18 5.658 -3.713 1.542 148 2HD1 LEU 18 2HD1 LEU 18 5.203 -2.060 2.012 149 3HD1 LEU 18 3HD1 LEU 18 6.290 -3.004 3.039 150 1HD2 LEU 18 1HD2 LEU 18 3.325 -1.831 4.010 151 2HD2 LEU 18 2HD2 LEU 18 3.479 -3.185 5.129 152 3HD2 LEU 18 3HD2 LEU 18 4.900 -2.254 4.739 153 H GLU 19 H GLU 19 0.529 -6.053 3.014 154 HA GLU 19 HA GLU 19 -0.847 -6.381 0.542 155 1HB GLU 19 1HB GLU 19 -1.867 -8.229 1.522 156 2HB GLU 19 2HB GLU 19 -0.354 -8.139 2.350 157 1HG GLU 19 1HG GLU 19 -1.792 -8.597 4.069 158 2HG GLU 19 2HG GLU 19 -1.667 -6.845 4.201 159 H GLU 20 H GLU 20 -1.751 -4.750 3.617 160 HA GLU 20 HA GLU 20 -4.454 -4.551 3.075 161 1HB GLU 20 1HB GLU 20 -3.219 -4.250 5.292 162 2HB GLU 20 2HB GLU 20 -2.953 -2.570 4.792 163 1HG GLU 20 1HG GLU 20 -5.451 -2.363 4.439 164 2HG GLU 20 2HG GLU 20 -5.629 -3.974 5.126 165 H LYS 21 H LYS 21 -1.851 -2.075 2.520 166 HA LYS 21 HA LYS 21 -3.407 -0.167 1.224 167 1HB LYS 21 1HB LYS 21 -0.486 -1.012 1.010 168 2HB LYS 21 2HB LYS 21 -1.066 0.511 0.419 169 1HG LYS 21 1HG LYS 21 -1.019 -0.419 3.307 170 2HG LYS 21 2HG LYS 21 -0.004 0.801 2.615 171 1HD LYS 21 1HD LYS 21 -3.023 1.133 2.858 172 2HD LYS 21 2HD LYS 21 -1.883 1.518 4.124 173 1HE LYS 21 1HE LYS 21 -0.772 3.189 2.733 174 2HE LYS 21 2HE LYS 21 -1.888 2.851 1.402 175 1HZ LYS 21 1HZ LYS 21 -2.578 4.768 2.840 176 2HZ LYS 21 2HZ LYS 21 -3.714 3.603 2.790 177 3HZ LYS 21 3HZ LYS 21 -2.781 3.714 4.102 178 H LYS 22 H LYS 22 -1.315 -2.791 -0.347 179 HA LYS 22 HA LYS 22 -2.217 -2.293 -2.887 180 1HB LYS 22 1HB LYS 22 -0.443 -3.955 -2.158 181 2HB LYS 22 2HB LYS 22 -1.736 -5.078 -1.724 182 1HG LYS 22 1HG LYS 22 -2.539 -4.970 -4.136 183 2HG LYS 22 2HG LYS 22 -1.156 -3.926 -4.493 184 1HD LYS 22 1HD LYS 22 -0.496 -6.098 -5.174 185 2HD LYS 22 2HD LYS 22 0.328 -5.826 -3.625 186 1HE LYS 22 1HE LYS 22 -1.587 -7.047 -2.503 187 2HE LYS 22 2HE LYS 22 -2.235 -7.439 -4.104 188 1HZ LYS 22 1HZ LYS 22 -0.846 -9.147 -3.013 189 2HZ LYS 22 2HZ LYS 22 -0.263 -8.763 -4.511 190 3HZ LYS 22 3HZ LYS 22 0.462 -8.206 -3.136 191 H ARG 23 H ARG 23 -3.996 -4.478 -0.568 192 HA ARG 23 HA ARG 23 -6.110 -4.959 -2.466 193 1HB ARG 23 1HB ARG 23 -7.493 -5.724 -0.670 194 2HB ARG 23 2HB ARG 23 -5.898 -6.460 -0.581 195 1HG ARG 23 1HG ARG 23 -5.326 -5.008 1.272 196 2HG ARG 23 2HG ARG 23 -6.881 -4.203 1.218 197 1HD ARG 23 1HD ARG 23 -6.413 -7.123 1.907 198 2HD ARG 23 2HD ARG 23 -6.699 -5.790 3.046 199 HE ARG 23 HE ARG 23 -8.796 -6.098 1.030 200 1HH1 ARG 23 2HH2 ARG 23 -7.788 -7.359 4.218 201 2HH1 ARG 23 1HH2 ARG 23 -9.404 -7.364 4.837 202 1HH2 ARG 23 2HH1 ARG 23 -10.891 -6.325 1.770 203 2HH2 ARG 23 1HH1 ARG 23 -11.220 -7.123 3.288 204 H GLN 24 H GLN 24 -5.928 -2.543 0.268 205 HA GLN 24 HA GLN 24 -8.350 -1.478 0.152 206 1HB GLN 24 1HB GLN 24 -5.634 -0.314 0.718 207 2HB GLN 24 2HB GLN 24 -6.932 0.787 0.475 208 1HG GLN 24 1HG GLN 24 -7.977 -1.188 2.226 209 2HG GLN 24 2HG GLN 24 -6.413 -0.750 2.847 210 1HE2 GLN 24 1HE2 GLN 24 -9.641 -0.053 3.104 211 2HE2 GLN 24 2HE2 GLN 24 -9.494 1.501 3.848 212 H LEU 25 H LEU 25 -5.649 -0.476 -2.022 213 HA LEU 25 HA LEU 25 -7.165 1.624 -3.233 214 1HB LEU 25 1HB LEU 25 -4.846 1.480 -3.570 215 2HB LEU 25 2HB LEU 25 -4.939 -0.165 -4.188 216 HG LEU 25 HG LEU 25 -4.354 1.726 -5.796 217 1HD1 LEU 25 1HD1 LEU 25 -6.845 0.338 -6.816 218 2HD1 LEU 25 2HD1 LEU 25 -5.427 0.917 -7.703 219 3HD1 LEU 25 3HD1 LEU 25 -5.273 -0.477 -6.628 220 1HD2 LEU 25 1HD2 LEU 25 -6.493 2.950 -6.663 221 2HD2 LEU 25 2HD2 LEU 25 -7.206 2.490 -5.193 222 3HD2 LEU 25 3HD2 LEU 25 -5.770 3.510 -5.101 223 H MET 26 H MET 26 -6.817 -1.812 -4.114 224 HA MET 26 HA MET 26 -8.513 -1.622 -6.431 225 1HB MET 26 1HB MET 26 -7.841 -4.057 -4.712 226 2HB MET 26 2HB MET 26 -8.434 -4.102 -6.369 227 1HG MET 26 1HG MET 26 -6.362 -3.275 -7.240 228 2HG MET 26 2HG MET 26 -5.777 -2.814 -5.634 229 1HE MET 26 1HE MET 26 -3.435 -5.856 -6.805 230 2HE MET 26 2HE MET 26 -4.087 -4.502 -7.750 231 3HE MET 26 3HE MET 26 -3.368 -4.211 -6.150 232 H GLU 27 H GLU 27 -9.179 -2.000 -2.992 233 HA GLU 27 HA GLU 27 -11.875 -3.160 -3.492 234 1HB GLU 27 1HB GLU 27 -10.865 -2.105 -0.814 235 2HB GLU 27 2HB GLU 27 -12.206 -3.211 -1.148 236 1HG GLU 27 1HG GLU 27 -10.131 -4.587 -2.273 237 2HG GLU 27 2HG GLU 27 -9.281 -3.695 -1.015 238 H LEU 28 H LEU 28 -10.372 -0.162 -2.538 239 HA LEU 28 HA LEU 28 -12.766 1.340 -2.096 240 1HB LEU 28 1HB LEU 28 -9.861 1.972 -2.523 241 2HB LEU 28 2HB LEU 28 -11.007 3.257 -2.696 242 HG LEU 28 HG LEU 28 -11.701 3.244 -0.485 243 1HD1 LEU 28 1HD1 LEU 28 -11.061 1.555 1.228 244 2HD1 LEU 28 2HD1 LEU 28 -12.079 0.863 -0.036 245 3HD1 LEU 28 3HD1 LEU 28 -10.336 0.558 -0.020 246 1HD2 LEU 28 1HD2 LEU 28 -9.415 4.132 -0.854 247 2HD2 LEU 28 2HD2 LEU 28 -9.591 3.469 0.782 248 3HD2 LEU 28 3HD2 LEU 28 -8.744 2.529 -0.460 249 H ARG 29 H ARG 29 -10.731 1.041 -5.005 250 HA ARG 29 HA ARG 29 -12.564 2.552 -6.647 251 1HB ARG 29 1HB ARG 29 -11.638 1.560 -8.627 252 2HB ARG 29 2HB ARG 29 -10.348 2.027 -7.519 253 1HG ARG 29 1HG ARG 29 -10.048 -0.268 -6.858 254 2HG ARG 29 2HG ARG 29 -11.407 -0.830 -7.833 255 1HD ARG 29 1HD ARG 29 -8.995 0.560 -9.050 256 2HD ARG 29 2HD ARG 29 -9.082 -1.184 -8.795 257 HE ARG 29 HE ARG 29 -10.918 -1.390 -10.285 258 1HH1 ARG 29 2HH2 ARG 29 -9.612 1.908 -10.407 259 2HH1 ARG 29 1HH2 ARG 29 -10.159 2.204 -12.025 260 1HH2 ARG 29 2HH1 ARG 29 -11.677 -0.980 -12.371 261 2HH2 ARG 29 1HH1 ARG 29 -11.252 0.428 -13.228 262 H PHE 30 H PHE 30 -12.658 -0.839 -5.612 263 HA PHE 30 HA PHE 30 -14.926 -1.611 -7.203 264 1HB PHE 30 1HB PHE 30 -13.514 -3.346 -6.376 265 2HB PHE 30 2HB PHE 30 -13.445 -2.671 -4.814 266 HD1 PHE 30 HD1 PHE 30 -14.519 -3.711 -3.057 267 HD2 PHE 30 HD2 PHE 30 -16.100 -4.135 -7.061 268 HE1 PHE 30 HE1 PHE 30 -16.191 -5.321 -2.226 269 HE2 PHE 30 HE2 PHE 30 -17.787 -5.738 -6.204 270 HZ PHE 30 HZ PHE 30 -17.838 -6.337 -3.791 271 H GLN 31 H GLN 31 -14.693 0.477 -4.211 272 HA GLN 31 HA GLN 31 -17.392 -0.283 -3.413 273 1HB GLN 31 1HB GLN 31 -15.126 1.431 -2.330 274 2HB GLN 31 2HB GLN 31 -16.772 1.709 -1.810 275 1HG GLN 31 1HG GLN 31 -16.884 -0.821 -1.365 276 2HG GLN 31 2HG GLN 31 -15.122 -0.796 -1.427 277 1HE2 GLN 31 1HE2 GLN 31 -17.259 -1.123 0.915 278 2HE2 GLN 31 2HE2 GLN 31 -16.644 -0.013 2.100 279 H LEU 32 H LEU 32 -15.569 2.195 -5.020 280 HA LEU 32 HA LEU 32 -17.687 4.136 -5.348 281 1HB LEU 32 1HB LEU 32 -15.188 4.445 -5.618 282 2HB LEU 32 2HB LEU 32 -15.261 3.581 -7.134 283 HG LEU 32 HG LEU 32 -15.103 5.850 -7.473 284 1HD1 LEU 32 1HD1 LEU 32 -17.972 5.343 -8.234 285 2HD1 LEU 32 2HD1 LEU 32 -16.831 6.440 -8.985 286 3HD1 LEU 32 3HD1 LEU 32 -16.561 4.686 -9.108 287 1HD2 LEU 32 1HD2 LEU 32 -16.694 7.569 -6.669 288 2HD2 LEU 32 2HD2 LEU 32 -17.741 6.311 -5.985 289 3HD2 LEU 32 3HD2 LEU 32 -16.152 6.612 -5.276 290 H ALA 33 H ALA 33 -16.293 1.767 -7.524 291 HA ALA 33 HA ALA 33 -17.976 1.920 -9.741 292 1HB ALA 33 1HB ALA 33 -16.625 -0.583 -8.644 293 2HB ALA 33 2HB ALA 33 -17.135 -0.285 -10.317 294 3HB ALA 33 3HB ALA 33 -15.816 0.671 -9.621 295 H MET 34 H MET 34 -18.637 0.288 -6.599 296 HA MET 34 HA MET 34 -21.176 -0.564 -7.595 297 1HB MET 34 1HB MET 34 -19.755 -0.610 -4.908 298 2HB MET 34 2HB MET 34 -21.466 -0.929 -5.060 299 1HG MET 34 1HG MET 34 -20.538 -2.515 -7.070 300 2HG MET 34 2HG MET 34 -19.138 -2.534 -6.031 301 1HE MET 34 1HE MET 34 -22.824 -3.589 -6.581 302 2HE MET 34 2HE MET 34 -23.335 -4.233 -5.004 303 3HE MET 34 3HE MET 34 -23.094 -2.488 -5.219 304 H GLY 35 H GLY 35 -20.290 1.576 -4.892 305 1HA GLY 35 1HA GLY 35 -20.998 3.970 -5.458 306 2HA GLY 35 2HA GLY 35 -22.652 3.298 -5.408 307 H GLN 36 H GLN 36 -19.684 2.845 -3.488 308 HA GLN 36 HA GLN 36 -21.143 3.454 -0.952 309 1HB GLN 36 1HB GLN 36 -18.799 1.559 -1.244 310 2HB GLN 36 2HB GLN 36 -19.887 1.756 0.114 311 1HG GLN 36 1HG GLN 36 -21.733 0.851 -1.368 312 2HG GLN 36 2HG GLN 36 -20.526 0.553 -2.625 313 1HE2 GLN 36 1HE2 GLN 36 -19.381 -1.576 -2.479 314 2HE2 GLN 36 2HE2 GLN 36 -19.469 -2.500 -1.039 315 H LEU 37 H LEU 37 -17.855 3.271 -2.323 316 HA LEU 37 HA LEU 37 -16.685 5.301 -0.612 317 1HB LEU 37 1HB LEU 37 -15.185 3.720 -1.529 318 2HB LEU 37 2HB LEU 37 -15.877 3.872 -3.140 319 HG LEU 37 HG LEU 37 -14.952 6.016 -3.463 320 1HD1 LEU 37 1HD1 LEU 37 -13.283 5.708 -0.921 321 2HD1 LEU 37 2HD1 LEU 37 -13.487 7.160 -1.911 322 3HD1 LEU 37 3HD1 LEU 37 -14.782 6.603 -0.844 323 1HD2 LEU 37 1HD2 LEU 37 -13.543 4.384 -4.254 324 2HD2 LEU 37 2HD2 LEU 37 -12.520 5.515 -3.381 325 3HD2 LEU 37 3HD2 LEU 37 -13.000 3.970 -2.612 326 H LYS 38 H LYS 38 -16.419 7.505 -0.995 327 HA LYS 38 HA LYS 38 -17.615 8.630 -3.479 328 1HB LYS 38 1HB LYS 38 -19.156 8.407 -1.427 329 2HB LYS 38 2HB LYS 38 -18.237 9.732 -0.713 330 1HG LYS 38 1HG LYS 38 -18.974 11.261 -2.441 331 2HG LYS 38 2HG LYS 38 -19.542 9.924 -3.467 332 1HD LYS 38 1HD LYS 38 -21.191 9.303 -1.682 333 2HD LYS 38 2HD LYS 38 -20.708 10.744 -0.769 334 1HE LYS 38 1HE LYS 38 -21.521 12.193 -2.564 335 2HE LYS 38 2HE LYS 38 -21.798 10.792 -3.621 336 1HZ LYS 38 1HZ LYS 38 -23.208 11.339 -1.096 337 2HZ LYS 38 2HZ LYS 38 -23.835 11.508 -2.620 338 3HZ LYS 38 3HZ LYS 38 -23.450 10.008 -2.060 339 H ASN 39 H ASN 39 -15.202 9.008 -0.868 340 HA ASN 39 HA ASN 39 -14.404 11.651 -1.883 341 1HB ASN 39 1HB ASN 39 -14.279 11.056 0.567 342 2HB ASN 39 2HB ASN 39 -12.958 9.952 0.186 343 1HD2 ASN 39 1HD2 ASN 39 -13.514 12.998 1.359 344 2HD2 ASN 39 2HD2 ASN 39 -12.125 13.828 0.701 345 H THR 40 H THR 40 -13.466 11.568 -3.901 346 HA THR 40 HA THR 40 -11.844 9.231 -4.612 347 HB THR 40 HB THR 40 -11.612 10.294 -6.734 348 HG1 THR 40 HG1 THR 40 -13.562 12.214 -6.239 349 1HG2 THR 40 1HG2 THR 40 -14.003 10.095 -7.447 350 2HG2 THR 40 2HG2 THR 40 -13.474 8.772 -6.399 351 3HG2 THR 40 3HG2 THR 40 -14.490 10.069 -5.743 352 H SER 41 H SER 41 -11.142 12.454 -3.348 353 HA SER 41 HA SER 41 -8.397 12.595 -4.189 354 1HB SER 41 1HB SER 41 -9.656 13.567 -1.583 355 2HB SER 41 2HB SER 41 -8.117 14.096 -2.277 356 HG SER 41 HG SER 41 -10.105 15.377 -2.583 357 H LEU 42 H LEU 42 -10.150 10.925 -1.607 358 HA LEU 42 HA LEU 42 -7.824 10.083 -0.097 359 1HB LEU 42 1HB LEU 42 -9.858 9.970 1.052 360 2HB LEU 42 2HB LEU 42 -10.646 9.027 -0.217 361 HG LEU 42 HG LEU 42 -9.335 7.058 0.287 362 1HD1 LEU 42 1HD1 LEU 42 -7.746 6.808 2.029 363 2HD1 LEU 42 2HD1 LEU 42 -7.177 8.212 1.139 364 3HD1 LEU 42 3HD1 LEU 42 -8.029 8.451 2.663 365 1HD2 LEU 42 1HD2 LEU 42 -11.393 7.537 1.531 366 2HD2 LEU 42 2HD2 LEU 42 -10.245 6.623 2.536 367 3HD2 LEU 42 3HD2 LEU 42 -10.453 8.371 2.781 368 H ILE 43 H ILE 43 -9.781 8.394 -2.664 369 HA ILE 43 HA ILE 43 -8.088 6.160 -2.908 370 HB ILE 43 HB ILE 43 -10.173 7.403 -4.514 371 1HG1 ILE 43 1HG1 ILE 43 -10.283 5.253 -3.268 372 2HG1 ILE 43 2HG1 ILE 43 -10.867 5.191 -4.937 373 1HG2 ILE 43 1HG2 ILE 43 -9.573 6.375 -6.692 374 2HG2 ILE 43 2HG2 ILE 43 -8.586 7.774 -6.264 375 3HG2 ILE 43 3HG2 ILE 43 -7.912 6.148 -6.109 376 1HD1 ILE 43 1HD1 ILE 43 -9.615 3.139 -4.472 377 2HD1 ILE 43 2HD1 ILE 43 -8.756 4.088 -5.646 378 3HD1 ILE 43 3HD1 ILE 43 -8.218 4.081 -3.940 379 H LYS 44 H LYS 44 -7.674 9.410 -4.429 380 HA LYS 44 HA LYS 44 -5.545 8.649 -6.125 381 1HB LYS 44 1HB LYS 44 -7.088 10.513 -6.390 382 2HB LYS 44 2HB LYS 44 -6.499 11.305 -4.951 383 1HG LYS 44 1HG LYS 44 -4.450 10.734 -7.075 384 2HG LYS 44 2HG LYS 44 -5.790 11.804 -7.448 385 1HD LYS 44 1HD LYS 44 -4.512 13.424 -6.728 386 2HD LYS 44 2HD LYS 44 -5.133 12.992 -5.151 387 1HE LYS 44 1HE LYS 44 -3.127 12.117 -4.442 388 2HE LYS 44 2HE LYS 44 -2.682 11.516 -6.052 389 1HZ LYS 44 1HZ LYS 44 -2.017 13.662 -6.706 390 2HZ LYS 44 2HZ LYS 44 -2.753 14.406 -5.432 391 3HZ LYS 44 3HZ LYS 44 -1.368 13.532 -5.212 392 H LEU 45 H LEU 45 -5.540 9.965 -2.867 393 HA LEU 45 HA LEU 45 -2.687 10.168 -2.409 394 1HB LEU 45 1HB LEU 45 -5.305 10.194 -0.843 395 2HB LEU 45 2HB LEU 45 -3.856 9.784 -0.007 396 HG LEU 45 HG LEU 45 -4.239 12.030 0.370 397 1HD1 LEU 45 1HD1 LEU 45 -1.852 11.325 -0.168 398 2HD1 LEU 45 2HD1 LEU 45 -2.091 12.084 -1.769 399 3HD1 LEU 45 3HD1 LEU 45 -2.193 13.062 -0.302 400 1HD2 LEU 45 1HD2 LEU 45 -5.735 12.673 -1.361 401 2HD2 LEU 45 2HD2 LEU 45 -4.370 13.783 -1.380 402 3HD2 LEU 45 3HD2 LEU 45 -4.480 12.508 -2.613 403 H THR 46 H THR 46 -5.262 7.691 -1.985 404 HA THR 46 HA THR 46 -3.610 5.934 -0.489 405 HB THR 46 HB THR 46 -6.226 5.655 -2.005 406 HG1 THR 46 HG1 THR 46 -6.404 6.930 -0.287 407 1HG2 THR 46 1HG2 THR 46 -4.903 3.639 -0.227 408 2HG2 THR 46 2HG2 THR 46 -6.666 3.775 -0.414 409 3HG2 THR 46 3HG2 THR 46 -5.663 3.418 -1.840 410 H LYS 47 H LYS 47 -4.293 6.196 -4.044 411 HA LYS 47 HA LYS 47 -2.613 4.101 -4.923 412 1HB LYS 47 1HB LYS 47 -2.773 6.971 -6.021 413 2HB LYS 47 2HB LYS 47 -2.162 5.624 -6.947 414 1HG LYS 47 1HG LYS 47 -5.027 5.687 -5.982 415 2HG LYS 47 2HG LYS 47 -4.501 6.631 -7.367 416 1HD LYS 47 1HD LYS 47 -3.885 3.662 -7.084 417 2HD LYS 47 2HD LYS 47 -5.434 4.247 -7.744 418 1HE LYS 47 1HE LYS 47 -2.889 5.235 -8.989 419 2HE LYS 47 2HE LYS 47 -3.617 3.695 -9.467 420 1HZ LYS 47 1HZ LYS 47 -4.434 5.495 -10.826 421 2HZ LYS 47 2HZ LYS 47 -5.637 4.806 -10.005 422 3HZ LYS 47 3HZ LYS 47 -5.111 6.267 -9.497 423 H ARG 48 H ARG 48 -1.539 7.380 -3.873 424 HA ARG 48 HA ARG 48 1.072 7.129 -5.083 425 1HB ARG 48 1HB ARG 48 0.720 8.653 -2.481 426 2HB ARG 48 2HB ARG 48 1.759 9.002 -3.896 427 1HG ARG 48 1HG ARG 48 -0.670 9.331 -5.006 428 2HG ARG 48 2HG ARG 48 -1.103 9.355 -3.280 429 1HD ARG 48 1HD ARG 48 0.239 11.368 -4.982 430 2HD ARG 48 2HD ARG 48 -0.912 11.612 -3.672 431 HE ARG 48 HE ARG 48 1.009 11.114 -2.090 432 1HH1 ARG 48 2HH2 ARG 48 1.752 12.544 -5.307 433 2HH1 ARG 48 1HH2 ARG 48 3.427 12.772 -4.903 434 1HH2 ARG 48 2HH1 ARG 48 3.093 11.577 -1.593 435 2HH2 ARG 48 1HH1 ARG 48 4.176 12.331 -2.732 436 H ASP 49 H ASP 49 -0.248 6.452 -1.907 437 HA ASP 49 HA ASP 49 2.236 5.437 -0.868 438 1HB ASP 49 1HB ASP 49 -0.050 6.631 0.045 439 2HB ASP 49 2HB ASP 49 -0.387 4.957 0.551 440 H ILE 50 H ILE 50 -0.814 3.957 -2.143 441 HA ILE 50 HA ILE 50 -0.077 1.281 -1.602 442 HB ILE 50 HB ILE 50 -1.834 2.615 -3.618 443 1HG1 ILE 50 1HG1 ILE 50 -3.057 0.315 -3.007 444 2HG1 ILE 50 2HG1 ILE 50 -1.827 0.218 -1.760 445 1HG2 ILE 50 1HG2 ILE 50 -2.182 0.681 -5.062 446 2HG2 ILE 50 2HG2 ILE 50 -0.607 1.407 -5.297 447 3HG2 ILE 50 3HG2 ILE 50 -0.758 -0.115 -4.365 448 1HD1 ILE 50 1HD1 ILE 50 -2.502 2.362 -0.844 449 2HD1 ILE 50 2HD1 ILE 50 -3.564 2.640 -2.296 450 3HD1 ILE 50 3HD1 ILE 50 -3.944 1.381 -1.030 451 H ALA 51 H ALA 51 0.824 3.451 -4.290 452 HA ALA 51 HA ALA 51 2.414 1.487 -5.501 453 1HB ALA 51 1HB ALA 51 1.500 3.538 -6.547 454 2HB ALA 51 2HB ALA 51 2.740 4.496 -5.680 455 3HB ALA 51 3HB ALA 51 3.248 3.247 -6.856 456 H ARG 52 H ARG 52 3.482 4.151 -3.159 457 HA ARG 52 HA ARG 52 6.090 3.298 -2.996 458 1HB ARG 52 1HB ARG 52 6.248 4.447 -1.152 459 2HB ARG 52 2HB ARG 52 5.231 5.418 -2.174 460 1HG ARG 52 1HG ARG 52 4.402 5.833 -0.182 461 2HG ARG 52 2HG ARG 52 3.644 4.233 -0.265 462 1HD ARG 52 1HD ARG 52 4.537 4.069 1.767 463 2HD ARG 52 2HD ARG 52 5.817 3.345 0.785 464 HE ARG 52 HE ARG 52 7.218 5.067 1.282 465 1HH1 ARG 52 2HH2 ARG 52 3.954 6.110 2.367 466 2HH1 ARG 52 1HH2 ARG 52 4.524 6.901 3.794 467 1HH2 ARG 52 2HH1 ARG 52 7.994 6.318 3.103 468 2HH2 ARG 52 1HH1 ARG 52 6.863 7.099 4.154 469 H ILE 53 H ILE 53 3.519 2.395 -0.737 470 HA ILE 53 HA ILE 53 4.902 0.370 0.677 471 HB ILE 53 HB ILE 53 1.941 0.838 0.107 472 1HG1 ILE 53 1HG1 ILE 53 2.708 0.966 2.870 473 2HG1 ILE 53 2HG1 ILE 53 3.928 1.857 2.023 474 1HG2 ILE 53 1HG2 ILE 53 1.540 -0.704 2.002 475 2HG2 ILE 53 2HG2 ILE 53 2.062 -1.492 0.514 476 3HG2 ILE 53 3HG2 ILE 53 3.202 -1.247 1.859 477 1HD1 ILE 53 1HD1 ILE 53 1.908 3.092 3.013 478 2HD1 ILE 53 2HD1 ILE 53 2.409 3.507 1.387 479 3HD1 ILE 53 3HD1 ILE 53 0.990 2.469 1.616 480 H LYS 54 H LYS 54 2.819 -0.300 -2.210 481 HA LYS 54 HA LYS 54 3.514 -3.057 -2.003 482 1HB LYS 54 1HB LYS 54 2.133 -3.413 -3.891 483 2HB LYS 54 2HB LYS 54 1.356 -2.127 -3.003 484 1HG LYS 54 1HG LYS 54 1.314 -1.220 -5.152 485 2HG LYS 54 2HG LYS 54 2.907 -0.578 -4.653 486 1HD LYS 54 1HD LYS 54 4.093 -2.166 -5.857 487 2HD LYS 54 2HD LYS 54 2.655 -3.181 -6.149 488 1HE LYS 54 1HE LYS 54 1.662 -1.288 -7.496 489 2HE LYS 54 2HE LYS 54 3.157 -0.371 -7.260 490 1HZ LYS 54 1HZ LYS 54 4.325 -2.148 -8.405 491 2HZ LYS 54 2HZ LYS 54 2.903 -2.950 -8.666 492 3HZ LYS 54 3HZ LYS 54 3.157 -1.505 -9.387 493 H THR 55 H THR 55 5.060 -0.336 -3.628 494 HA THR 55 HA THR 55 7.105 -1.825 -4.976 495 HB THR 55 HB THR 55 6.695 0.949 -3.969 496 HG1 THR 55 HG1 THR 55 6.525 -0.351 -6.253 497 1HG2 THR 55 1HG2 THR 55 8.866 1.716 -4.822 498 2HG2 THR 55 2HG2 THR 55 8.976 0.796 -3.332 499 3HG2 THR 55 3HG2 THR 55 9.409 0.017 -4.882 500 H ILE 56 H ILE 56 6.898 -0.510 -1.569 501 HA ILE 56 HA ILE 56 9.475 -1.281 -0.783 502 HB ILE 56 HB ILE 56 6.953 -1.108 0.822 503 1HG1 ILE 56 1HG1 ILE 56 8.341 0.915 -0.141 504 2HG1 ILE 56 2HG1 ILE 56 7.641 0.925 1.464 505 1HG2 ILE 56 1HG2 ILE 56 9.696 -1.879 1.881 506 2HG2 ILE 56 2HG2 ILE 56 8.316 -1.338 2.874 507 3HG2 ILE 56 3HG2 ILE 56 8.223 -2.840 1.962 508 1HD1 ILE 56 1HD1 ILE 56 9.806 0.483 2.509 509 2HD1 ILE 56 2HD1 ILE 56 10.533 0.191 0.897 510 3HD1 ILE 56 3HD1 ILE 56 9.982 1.817 1.341 511 H LEU 57 H LEU 57 6.429 -3.239 -0.725 512 HA LEU 57 HA LEU 57 7.653 -5.613 0.184 513 1HB LEU 57 1HB LEU 57 5.126 -5.071 -0.220 514 2HB LEU 57 2HB LEU 57 5.387 -5.746 -1.827 515 HG LEU 57 HG LEU 57 6.105 -7.191 0.777 516 1HD1 LEU 57 1HD1 LEU 57 3.688 -6.743 0.744 517 2HD1 LEU 57 2HD1 LEU 57 3.572 -7.446 -0.878 518 3HD1 LEU 57 3HD1 LEU 57 4.012 -8.459 0.520 519 1HD2 LEU 57 1HD2 LEU 57 7.280 -8.244 -1.002 520 2HD2 LEU 57 2HD2 LEU 57 5.884 -9.254 -0.690 521 3HD2 LEU 57 3HD2 LEU 57 5.871 -8.163 -2.088 522 H ARG 58 H ARG 58 7.217 -4.508 -3.238 523 HA ARG 58 HA ARG 58 8.508 -6.667 -4.489 524 1HB ARG 58 1HB ARG 58 7.448 -4.269 -5.379 525 2HB ARG 58 2HB ARG 58 9.141 -3.964 -5.612 526 1HG ARG 58 1HG ARG 58 7.480 -6.184 -6.856 527 2HG ARG 58 2HG ARG 58 8.257 -4.823 -7.652 528 1HD ARG 58 1HD ARG 58 10.324 -6.284 -6.347 529 2HD ARG 58 2HD ARG 58 9.297 -7.474 -7.044 530 HE ARG 58 HE ARG 58 11.019 -5.549 -8.437 531 1HH1 ARG 58 2HH2 ARG 58 8.600 -8.131 -8.844 532 2HH1 ARG 58 1HH2 ARG 58 8.800 -8.153 -10.575 533 1HH2 ARG 58 2HH1 ARG 58 11.470 -5.867 -10.573 534 2HH2 ARG 58 1HH1 ARG 58 10.612 -7.005 -11.556 535 H GLU 59 H GLU 59 9.996 -3.625 -3.337 536 HA GLU 59 HA GLU 59 12.677 -4.144 -4.054 537 1HB GLU 59 1HB GLU 59 11.677 -2.614 -1.620 538 2HB GLU 59 2HB GLU 59 13.252 -2.447 -2.337 539 1HG GLU 59 1HG GLU 59 11.214 -1.961 -4.377 540 2HG GLU 59 2HG GLU 59 10.858 -1.033 -2.910 541 H ARG 60 H ARG 60 10.793 -5.181 -1.213 542 HA ARG 60 HA ARG 60 13.068 -6.275 0.189 543 1HB ARG 60 1HB ARG 60 10.088 -6.621 0.633 544 2HB ARG 60 2HB ARG 60 11.348 -7.310 1.658 545 1HG ARG 60 1HG ARG 60 12.208 -5.095 2.199 546 2HG ARG 60 2HG ARG 60 11.044 -4.325 1.181 547 1HD ARG 60 1HD ARG 60 10.786 -5.300 3.945 548 2HD ARG 60 2HD ARG 60 9.958 -4.003 3.134 549 HE ARG 60 HE ARG 60 8.201 -5.410 2.617 550 1HH1 ARG 60 2HH2 ARG 60 10.933 -7.387 3.848 551 2HH1 ARG 60 1HH2 ARG 60 9.907 -8.660 4.392 552 1HH2 ARG 60 2HH1 ARG 60 6.889 -7.343 3.048 553 2HH2 ARG 60 1HH1 ARG 60 7.720 -8.733 3.656 554 H GLU 61 H GLU 61 10.893 -7.469 -2.200 555 HA GLU 61 HA GLU 61 11.365 -10.296 -1.786 556 1HB GLU 61 1HB GLU 61 10.519 -8.921 -4.373 557 2HB GLU 61 2HB GLU 61 10.517 -10.660 -4.077 558 1HG GLU 61 1HG GLU 61 8.827 -10.321 -2.257 559 2HG GLU 61 2HG GLU 61 8.882 -8.596 -2.614 560 H LEU 62 H LEU 62 12.895 -7.961 -4.238 561 HA LEU 62 HA LEU 62 14.550 -10.067 -5.117 562 1HB LEU 62 1HB LEU 62 15.446 -7.254 -5.524 563 2HB LEU 62 2HB LEU 62 15.466 -8.618 -6.605 564 HG LEU 62 HG LEU 62 13.998 -7.329 -7.630 565 1HD1 LEU 62 1HD1 LEU 62 11.802 -8.487 -6.007 566 2HD1 LEU 62 2HD1 LEU 62 11.918 -8.226 -7.746 567 3HD1 LEU 62 3HD1 LEU 62 12.851 -9.520 -7.001 568 1HD2 LEU 62 1HD2 LEU 62 13.134 -6.220 -5.010 569 2HD2 LEU 62 2HD2 LEU 62 14.040 -5.465 -6.322 570 3HD2 LEU 62 3HD2 LEU 62 12.345 -5.807 -6.554 571 H GLY 63 H GLY 63 15.062 -7.847 -2.450 572 1HA GLY 63 1HA GLY 63 17.064 -8.349 -1.058 573 2HA GLY 63 2HA GLY 63 18.009 -8.425 -2.525 574 H ILE 64 H ILE 64 15.691 -5.803 -2.853 575 HA ILE 64 HA ILE 64 17.825 -3.921 -2.756 576 HB ILE 64 HB ILE 64 14.856 -3.682 -3.195 577 1HG1 ILE 64 1HG1 ILE 64 15.840 -5.152 -4.885 578 2HG1 ILE 64 2HG1 ILE 64 15.237 -3.641 -5.539 579 1HG2 ILE 64 1HG2 ILE 64 15.620 -1.542 -2.651 580 2HG2 ILE 64 2HG2 ILE 64 17.057 -1.708 -3.689 581 3HG2 ILE 64 3HG2 ILE 64 15.427 -1.589 -4.408 582 1HD1 ILE 64 1HD1 ILE 64 17.342 -4.333 -6.581 583 2HD1 ILE 64 2HD1 ILE 64 17.488 -2.767 -5.767 584 3HD1 ILE 64 3HD1 ILE 64 18.162 -4.240 -5.012 585 H ARG 65 H ARG 65 15.633 -5.229 -0.451 586 HA ARG 65 HA ARG 65 16.265 -3.108 1.524 587 1HB ARG 65 1HB ARG 65 13.525 -3.933 0.579 588 2HB ARG 65 2HB ARG 65 13.716 -3.398 2.254 589 1HG ARG 65 1HG ARG 65 14.614 -1.705 -0.086 590 2HG ARG 65 2HG ARG 65 13.002 -1.605 0.609 591 1HD ARG 65 1HD ARG 65 13.723 -0.697 2.624 592 2HD ARG 65 2HD ARG 65 15.310 -1.448 2.552 593 HE ARG 65 HE ARG 65 14.407 0.986 1.137 594 1HH1 ARG 65 2HH2 ARG 65 17.140 -1.224 1.847 595 2HH1 ARG 65 1HH2 ARG 65 18.214 -0.461 0.764 596 1HH2 ARG 65 2HH1 ARG 65 15.956 2.185 -0.052 597 2HH2 ARG 65 1HH1 ARG 65 17.514 1.474 -0.369 598 H ARG 66 H ARG 66 17.581 -5.320 1.314 599 HA ARG 66 HA ARG 66 18.049 -7.431 2.011 600 1HB ARG 66 1HB ARG 66 19.169 -5.676 3.468 601 2HB ARG 66 2HB ARG 66 17.932 -6.007 4.693 602 1HG ARG 66 1HG ARG 66 18.613 -8.490 4.432 603 2HG ARG 66 2HG ARG 66 19.989 -7.916 3.494 604 1HD ARG 66 1HD ARG 66 20.965 -6.841 5.389 605 2HD ARG 66 2HD ARG 66 19.432 -6.806 6.252 606 HE ARG 66 HE ARG 66 19.498 -9.192 6.525 607 1HH1 ARG 66 2HH2 ARG 66 22.657 -7.869 5.594 608 2HH1 ARG 66 1HH2 ARG 66 23.566 -8.965 6.579 609 1HH2 ARG 66 2HH1 ARG 66 20.667 -10.672 7.789 610 2HH2 ARG 66 1HH1 ARG 66 22.393 -10.695 7.738 Start of MODEL 2 1 1H MET 1 1H MET 1 7.715 10.733 3.062 2 HA MET 1 HA MET 1 9.135 9.823 1.275 3 1HB MET 1 1HB MET 1 9.565 12.030 2.173 4 2HB MET 1 2HB MET 1 10.686 11.366 3.372 5 1HG MET 1 1HG MET 1 12.159 10.537 1.629 6 2HG MET 1 2HG MET 1 10.983 10.923 0.371 7 1HE MET 1 1HE MET 1 9.985 13.904 0.960 8 2HE MET 1 2HE MET 1 11.165 14.684 -0.107 9 3HE MET 1 3HE MET 1 10.444 13.134 -0.574 10 H LYS 2 H LYS 2 11.057 9.363 4.341 11 HA LYS 2 HA LYS 2 12.617 7.178 3.161 12 1HB LYS 2 1HB LYS 2 12.349 8.443 5.922 13 2HB LYS 2 2HB LYS 2 13.339 7.016 5.665 14 1HG LYS 2 1HG LYS 2 13.745 9.394 3.845 15 2HG LYS 2 2HG LYS 2 14.363 9.492 5.482 16 1HD LYS 2 1HD LYS 2 15.024 7.026 3.846 17 2HD LYS 2 2HD LYS 2 15.862 8.534 3.495 18 1HE LYS 2 1HE LYS 2 16.503 8.777 5.870 19 2HE LYS 2 2HE LYS 2 15.724 7.237 6.242 20 1HZ LYS 2 1HZ LYS 2 17.296 6.134 4.825 21 2HZ LYS 2 2HZ LYS 2 17.966 7.559 4.323 22 3HZ LYS 2 3HZ LYS 2 18.129 7.064 5.882 23 H ALA 3 H ALA 3 12.579 4.997 4.133 24 HA ALA 3 HA ALA 3 9.799 4.124 4.618 25 1HB ALA 3 1HB ALA 3 10.336 2.017 3.647 26 2HB ALA 3 2HB ALA 3 10.814 3.278 2.481 27 3HB ALA 3 3HB ALA 3 12.049 2.422 3.461 28 H SER 4 H SER 4 12.563 4.730 6.491 29 HA SER 4 HA SER 4 12.985 2.299 7.774 30 1HB SER 4 1HB SER 4 13.125 5.120 8.777 31 2HB SER 4 2HB SER 4 13.090 3.797 9.957 32 HG SER 4 HG SER 4 15.130 4.032 9.566 33 H GLU 5 H GLU 5 10.252 4.509 8.280 34 HA GLU 5 HA GLU 5 8.808 3.134 10.231 35 1HB GLU 5 1HB GLU 5 6.778 4.147 9.166 36 2HB GLU 5 2HB GLU 5 8.098 5.262 9.447 37 1HG GLU 5 1HG GLU 5 8.741 4.950 6.954 38 2HG GLU 5 2HG GLU 5 7.229 4.095 6.768 39 H LEU 6 H LEU 6 8.406 2.656 6.762 40 HA LEU 6 HA LEU 6 6.528 0.449 7.037 41 1HB LEU 6 1HB LEU 6 7.989 2.047 4.880 42 2HB LEU 6 2HB LEU 6 7.480 0.483 4.371 43 HG LEU 6 HG LEU 6 5.619 2.483 5.777 44 1HD1 LEU 6 1HD1 LEU 6 6.036 2.129 2.777 45 2HD1 LEU 6 2HD1 LEU 6 4.816 3.164 3.558 46 3HD1 LEU 6 3HD1 LEU 6 6.532 3.519 3.777 47 1HD2 LEU 6 1HD2 LEU 6 4.969 0.118 3.963 48 2HD2 LEU 6 2HD2 LEU 6 4.801 0.138 5.731 49 3HD2 LEU 6 3HD2 LEU 6 3.803 1.208 4.763 50 H ARG 7 H ARG 7 9.985 0.618 6.290 51 HA ARG 7 HA ARG 7 10.215 -2.234 5.843 52 1HB ARG 7 1HB ARG 7 11.698 -0.289 5.005 53 2HB ARG 7 2HB ARG 7 12.377 -0.200 6.619 54 1HG ARG 7 1HG ARG 7 12.318 -2.928 5.427 55 2HG ARG 7 2HG ARG 7 13.272 -1.748 4.533 56 1HD ARG 7 1HD ARG 7 14.895 -1.628 6.120 57 2HD ARG 7 2HD ARG 7 13.742 -1.713 7.463 58 HE ARG 7 HE ARG 7 13.601 -4.192 6.889 59 1HH1 ARG 7 2HH2 ARG 7 16.654 -2.919 6.098 60 2HH1 ARG 7 1HH2 ARG 7 17.562 -3.570 7.387 61 1HH2 ARG 7 2HH1 ARG 7 14.816 -5.677 8.065 62 2HH2 ARG 7 1HH1 ARG 7 16.483 -5.345 8.446 63 H ASN 8 H ASN 8 9.786 -0.304 8.530 64 HA ASN 8 HA ASN 8 11.478 -1.807 10.404 65 1HB ASN 8 1HB ASN 8 9.768 0.563 10.736 66 2HB ASN 8 2HB ASN 8 9.376 -0.582 11.945 67 1HD2 ASN 8 1HD2 ASN 8 10.185 0.533 13.637 68 2HD2 ASN 8 2HD2 ASN 8 11.874 0.971 13.866 69 H TYR 9 H TYR 9 8.128 -2.514 9.163 70 HA TYR 9 HA TYR 9 7.353 -3.831 11.439 71 1HB TYR 9 1HB TYR 9 6.436 -3.664 8.601 72 2HB TYR 9 2HB TYR 9 5.581 -4.607 9.820 73 HD1 TYR 9 HD1 TYR 9 5.563 -1.751 8.008 74 HD2 TYR 9 HD2 TYR 9 5.465 -2.920 12.153 75 HE1 TYR 9 HE1 TYR 9 4.601 0.469 8.595 76 HE2 TYR 9 HE2 TYR 9 4.546 -0.704 12.761 77 HH TYR 9 HH TYR 9 3.852 1.838 10.291 78 H THR 10 H THR 10 6.855 -6.244 11.425 79 HA THR 10 HA THR 10 9.405 -7.636 10.891 80 HB THR 10 HB THR 10 8.228 -9.490 11.958 81 HG1 THR 10 HG1 THR 10 6.252 -7.874 13.043 82 1HG2 THR 10 1HG2 THR 10 8.243 -8.653 14.257 83 2HG2 THR 10 2HG2 THR 10 9.590 -7.931 13.352 84 3HG2 THR 10 3HG2 THR 10 8.131 -6.969 13.680 85 H ASP 11 H ASP 11 9.260 -9.770 9.590 86 HA ASP 11 HA ASP 11 8.324 -9.211 7.052 87 1HB ASP 11 1HB ASP 11 9.082 -11.804 8.394 88 2HB ASP 11 2HB ASP 11 8.461 -11.770 6.729 89 H GLU 12 H GLU 12 6.560 -10.885 9.577 90 HA GLU 12 HA GLU 12 4.244 -11.556 8.035 91 1HB GLU 12 1HB GLU 12 5.013 -12.569 10.207 92 2HB GLU 12 2HB GLU 12 4.577 -11.077 11.032 93 1HG GLU 12 1HG GLU 12 2.355 -12.043 9.348 94 2HG GLU 12 2HG GLU 12 2.925 -13.343 10.381 95 H GLU 13 H GLU 13 4.902 -8.822 10.303 96 HA GLU 13 HA GLU 13 2.346 -7.604 9.861 97 1HB GLU 13 1HB GLU 13 5.004 -6.715 10.990 98 2HB GLU 13 2HB GLU 13 3.800 -5.475 10.684 99 1HG GLU 13 1HG GLU 13 3.285 -8.044 12.299 100 2HG GLU 13 2HG GLU 13 3.797 -6.503 12.960 101 H LEU 14 H LEU 14 5.387 -7.303 8.280 102 HA LEU 14 HA LEU 14 4.917 -5.034 6.630 103 1HB LEU 14 1HB LEU 14 6.580 -7.552 6.095 104 2HB LEU 14 2HB LEU 14 6.624 -6.144 5.044 105 HG LEU 14 HG LEU 14 7.223 -5.873 7.992 106 1HD1 LEU 14 1HD1 LEU 14 9.715 -5.834 7.119 107 2HD1 LEU 14 2HD1 LEU 14 8.977 -7.308 7.656 108 3HD1 LEU 14 3HD1 LEU 14 9.062 -6.965 5.904 109 1HD2 LEU 14 1HD2 LEU 14 8.330 -3.970 7.551 110 2HD2 LEU 14 2HD2 LEU 14 8.408 -4.261 5.766 111 3HD2 LEU 14 3HD2 LEU 14 6.863 -3.886 6.568 112 H LYS 15 H LYS 15 4.480 -8.505 5.711 113 HA LYS 15 HA LYS 15 3.066 -7.822 3.342 114 1HB LYS 15 1HB LYS 15 2.330 -10.123 3.339 115 2HB LYS 15 2HB LYS 15 4.083 -9.920 3.484 116 1HG LYS 15 1HG LYS 15 3.751 -11.657 4.944 117 2HG LYS 15 2HG LYS 15 3.677 -10.288 6.043 118 1HD LYS 15 1HD LYS 15 1.487 -10.884 6.620 119 2HD LYS 15 2HD LYS 15 1.006 -10.865 4.941 120 1HE LYS 15 1HE LYS 15 0.513 -12.995 5.462 121 2HE LYS 15 2HE LYS 15 2.144 -13.224 4.821 122 1HZ LYS 15 1HZ LYS 15 1.828 -14.430 6.814 123 2HZ LYS 15 2HZ LYS 15 2.914 -13.279 7.161 124 3HZ LYS 15 3HZ LYS 15 1.330 -13.128 7.674 125 H ASN 16 H ASN 16 1.943 -8.483 6.695 126 HA ASN 16 HA ASN 16 -0.816 -8.505 5.974 127 1HB ASN 16 1HB ASN 16 0.186 -9.390 8.139 128 2HB ASN 16 2HB ASN 16 0.577 -7.733 8.592 129 1HD2 ASN 16 1HD2 ASN 16 -0.702 -7.446 10.447 130 2HD2 ASN 16 2HD2 ASN 16 -2.425 -7.803 10.449 131 H LEU 17 H LEU 17 1.316 -5.946 5.983 132 HA LEU 17 HA LEU 17 -0.868 -3.892 6.493 133 1HB LEU 17 1HB LEU 17 2.116 -3.789 6.862 134 2HB LEU 17 2HB LEU 17 1.380 -2.396 6.102 135 HG LEU 17 HG LEU 17 -0.313 -2.381 8.059 136 1HD1 LEU 17 1HD1 LEU 17 0.518 -3.331 10.181 137 2HD1 LEU 17 2HD1 LEU 17 0.297 -4.627 8.996 138 3HD1 LEU 17 3HD1 LEU 17 1.925 -4.019 9.357 139 1HD2 LEU 17 1HD2 LEU 17 1.282 -1.079 9.450 140 2HD2 LEU 17 2HD2 LEU 17 2.630 -1.734 8.491 141 3HD2 LEU 17 3HD2 LEU 17 1.412 -0.678 7.739 142 H LEU 18 H LEU 18 1.746 -4.872 4.307 143 HA LEU 18 HA LEU 18 1.015 -2.875 2.370 144 1HB LEU 18 1HB LEU 18 2.750 -5.292 1.790 145 2HB LEU 18 2HB LEU 18 2.747 -3.722 1.015 146 HG LEU 18 HG LEU 18 4.244 -4.701 3.311 147 1HD1 LEU 18 1HD1 LEU 18 5.038 -2.222 1.978 148 2HD1 LEU 18 2HD1 LEU 18 5.955 -3.629 2.531 149 3HD1 LEU 18 3HD1 LEU 18 5.010 -3.734 1.049 150 1HD2 LEU 18 1HD2 LEU 18 2.679 -2.172 3.783 151 2HD2 LEU 18 2HD2 LEU 18 3.339 -3.340 4.925 152 3HD2 LEU 18 3HD2 LEU 18 4.368 -2.125 4.196 153 H GLU 19 H GLU 19 0.208 -6.274 2.871 154 HA GLU 19 HA GLU 19 -1.342 -6.546 0.471 155 1HB GLU 19 1HB GLU 19 -2.240 -8.444 1.423 156 2HB GLU 19 2HB GLU 19 -0.670 -8.309 2.216 157 1HG GLU 19 1HG GLU 19 -1.767 -7.305 4.180 158 2HG GLU 19 2HG GLU 19 -3.338 -7.620 3.426 159 H GLU 20 H GLU 20 -2.008 -4.881 3.591 160 HA GLU 20 HA GLU 20 -4.766 -4.551 3.104 161 1HB GLU 20 1HB GLU 20 -3.501 -4.197 5.343 162 2HB GLU 20 2HB GLU 20 -3.203 -2.564 4.719 163 1HG GLU 20 1HG GLU 20 -5.877 -2.781 4.163 164 2HG GLU 20 2HG GLU 20 -5.783 -3.876 5.540 165 H LYS 21 H LYS 21 -2.033 -2.151 2.504 166 HA LYS 21 HA LYS 21 -3.570 -0.248 1.230 167 1HB LYS 21 1HB LYS 21 -0.668 -1.109 0.818 168 2HB LYS 21 2HB LYS 21 -1.310 0.447 0.355 169 1HG LYS 21 1HG LYS 21 -1.147 -0.599 3.208 170 2HG LYS 21 2HG LYS 21 -0.044 0.537 2.478 171 1HD LYS 21 1HD LYS 21 -2.959 1.311 2.672 172 2HD LYS 21 2HD LYS 21 -1.855 1.373 4.056 173 1HE LYS 21 1HE LYS 21 -0.223 2.661 2.738 174 2HE LYS 21 2HE LYS 21 -1.422 2.794 1.422 175 1HZ LYS 21 1HZ LYS 21 -1.240 4.678 3.016 176 2HZ LYS 21 2HZ LYS 21 -2.771 4.100 2.816 177 3HZ LYS 21 3HZ LYS 21 -1.915 3.733 4.179 178 H LYS 22 H LYS 22 -1.624 -2.953 -0.368 179 HA LYS 22 HA LYS 22 -2.582 -2.606 -2.882 180 1HB LYS 22 1HB LYS 22 -0.979 -4.386 -1.748 181 2HB LYS 22 2HB LYS 22 -2.406 -5.418 -1.808 182 1HG LYS 22 1HG LYS 22 -2.495 -4.901 -4.321 183 2HG LYS 22 2HG LYS 22 -0.961 -4.022 -4.112 184 1HD LYS 22 1HD LYS 22 -0.040 -6.168 -3.039 185 2HD LYS 22 2HD LYS 22 -1.521 -6.965 -3.597 186 1HE LYS 22 1HE LYS 22 -0.906 -6.270 -5.943 187 2HE LYS 22 2HE LYS 22 0.643 -5.661 -5.295 188 1HZ LYS 22 1HZ LYS 22 0.865 -7.967 -6.073 189 2HZ LYS 22 2HZ LYS 22 1.043 -7.928 -4.444 190 3HZ LYS 22 3HZ LYS 22 -0.370 -8.424 -5.145 191 H ARG 23 H ARG 23 -4.629 -4.399 -0.262 192 HA ARG 23 HA ARG 23 -6.650 -4.827 -2.278 193 1HB ARG 23 1HB ARG 23 -8.105 -5.424 -0.445 194 2HB ARG 23 2HB ARG 23 -6.568 -6.296 -0.383 195 1HG ARG 23 1HG ARG 23 -5.818 -4.806 1.382 196 2HG ARG 23 2HG ARG 23 -7.345 -3.907 1.347 197 1HD ARG 23 1HD ARG 23 -7.354 -5.263 3.195 198 2HD ARG 23 2HD ARG 23 -8.503 -5.968 2.040 199 HE ARG 23 HE ARG 23 -5.968 -7.062 3.056 200 1HH1 ARG 23 2HH2 ARG 23 -8.855 -7.711 1.090 201 2HH1 ARG 23 1HH2 ARG 23 -8.280 -9.193 0.463 202 1HH2 ARG 23 2HH1 ARG 23 -5.397 -9.152 2.555 203 2HH2 ARG 23 1HH1 ARG 23 -6.299 -10.096 1.433 204 H GLN 24 H GLN 24 -6.227 -2.364 0.368 205 HA GLN 24 HA GLN 24 -8.533 -1.025 0.249 206 1HB GLN 24 1HB GLN 24 -5.699 -0.135 0.726 207 2HB GLN 24 2HB GLN 24 -6.931 1.048 0.549 208 1HG GLN 24 1HG GLN 24 -8.111 -0.737 2.358 209 2HG GLN 24 2HG GLN 24 -6.410 -0.748 2.815 210 1HE2 GLN 24 1HE2 GLN 24 -7.025 0.254 4.894 211 2HE2 GLN 24 2HE2 GLN 24 -7.681 1.854 4.982 212 H LEU 25 H LEU 25 -5.805 -0.486 -2.023 213 HA LEU 25 HA LEU 25 -7.053 1.599 -3.515 214 1HB LEU 25 1HB LEU 25 -4.793 1.115 -3.786 215 2HB LEU 25 2HB LEU 25 -5.053 -0.578 -4.163 216 HG LEU 25 HG LEU 25 -4.244 0.933 -5.993 217 1HD1 LEU 25 1HD1 LEU 25 -5.463 -1.165 -6.617 218 2HD1 LEU 25 2HD1 LEU 25 -6.926 -0.177 -6.868 219 3HD1 LEU 25 3HD1 LEU 25 -5.467 0.136 -7.823 220 1HD2 LEU 25 1HD2 LEU 25 -5.587 2.872 -5.223 221 2HD2 LEU 25 2HD2 LEU 25 -5.669 2.533 -6.979 222 3HD2 LEU 25 3HD2 LEU 25 -7.034 2.131 -5.935 223 H MET 26 H MET 26 -7.163 -1.933 -4.060 224 HA MET 26 HA MET 26 -8.995 -1.757 -6.295 225 1HB MET 26 1HB MET 26 -8.280 -4.093 -4.491 226 2HB MET 26 2HB MET 26 -9.179 -4.198 -6.004 227 1HG MET 26 1HG MET 26 -7.267 -3.286 -7.249 228 2HG MET 26 2HG MET 26 -6.328 -3.162 -5.754 229 1HE MET 26 1HE MET 26 -4.471 -4.358 -7.327 230 2HE MET 26 2HE MET 26 -4.645 -6.011 -7.964 231 3HE MET 26 3HE MET 26 -5.623 -4.691 -8.641 232 H GLU 27 H GLU 27 -9.414 -1.862 -2.816 233 HA GLU 27 HA GLU 27 -12.177 -2.802 -2.761 234 1HB GLU 27 1HB GLU 27 -10.265 -1.514 -0.766 235 2HB GLU 27 2HB GLU 27 -11.858 -2.017 -0.308 236 1HG GLU 27 1HG GLU 27 -10.136 -4.074 -1.640 237 2HG GLU 27 2HG GLU 27 -9.661 -3.538 -0.023 238 H LEU 28 H LEU 28 -10.463 0.279 -2.424 239 HA LEU 28 HA LEU 28 -12.839 1.767 -1.820 240 1HB LEU 28 1HB LEU 28 -9.997 2.471 -2.538 241 2HB LEU 28 2HB LEU 28 -11.258 3.684 -2.497 242 HG LEU 28 HG LEU 28 -11.480 3.735 -0.251 243 1HD1 LEU 28 1HD1 LEU 28 -10.302 0.951 0.086 244 2HD1 LEU 28 2HD1 LEU 28 -10.778 2.038 1.385 245 3HD1 LEU 28 3HD1 LEU 28 -12.005 1.410 0.267 246 1HD2 LEU 28 1HD2 LEU 28 -9.224 3.785 0.721 247 2HD2 LEU 28 2HD2 LEU 28 -8.629 2.758 -0.598 248 3HD2 LEU 28 3HD2 LEU 28 -9.192 4.409 -0.940 249 H ARG 29 H ARG 29 -10.835 1.359 -4.742 250 HA ARG 29 HA ARG 29 -12.600 2.831 -6.452 251 1HB ARG 29 1HB ARG 29 -11.575 1.941 -8.336 252 2HB ARG 29 2HB ARG 29 -10.282 1.999 -7.129 253 1HG ARG 29 1HG ARG 29 -10.553 -0.360 -6.687 254 2HG ARG 29 2HG ARG 29 -11.951 -0.477 -7.758 255 1HD ARG 29 1HD ARG 29 -10.289 0.370 -9.603 256 2HD ARG 29 2HD ARG 29 -9.080 -0.309 -8.502 257 HE ARG 29 HE ARG 29 -10.040 -2.468 -8.764 258 1HH1 ARG 29 2HH2 ARG 29 -11.836 -0.157 -10.838 259 2HH1 ARG 29 1HH2 ARG 29 -12.935 -1.386 -11.380 260 1HH2 ARG 29 2HH1 ARG 29 -11.590 -3.951 -9.409 261 2HH2 ARG 29 1HH1 ARG 29 -12.838 -3.546 -10.527 262 H PHE 30 H PHE 30 -12.840 -0.417 -5.128 263 HA PHE 30 HA PHE 30 -14.961 -1.353 -6.809 264 1HB PHE 30 1HB PHE 30 -13.640 -2.981 -5.728 265 2HB PHE 30 2HB PHE 30 -13.668 -2.136 -4.219 266 HD1 PHE 30 HD1 PHE 30 -14.810 -3.071 -2.481 267 HD2 PHE 30 HD2 PHE 30 -16.176 -3.762 -6.524 268 HE1 PHE 30 HE1 PHE 30 -16.466 -4.681 -1.646 269 HE2 PHE 30 HE2 PHE 30 -17.837 -5.385 -5.667 270 HZ PHE 30 HZ PHE 30 -17.961 -5.870 -3.227 271 H GLN 31 H GLN 31 -14.993 0.927 -3.763 272 HA GLN 31 HA GLN 31 -17.798 0.136 -3.536 273 1HB GLN 31 1HB GLN 31 -15.744 1.704 -1.948 274 2HB GLN 31 2HB GLN 31 -17.450 2.100 -1.760 275 1HG GLN 31 1HG GLN 31 -17.797 -0.454 -1.568 276 2HG GLN 31 2HG GLN 31 -16.067 -0.559 -1.325 277 1HE2 GLN 31 1HE2 GLN 31 -15.435 -0.460 0.844 278 2HE2 GLN 31 2HE2 GLN 31 -16.373 0.270 2.126 279 H LEU 32 H LEU 32 -15.729 2.268 -5.114 280 HA LEU 32 HA LEU 32 -17.697 4.333 -5.734 281 1HB LEU 32 1HB LEU 32 -15.125 4.495 -5.803 282 2HB LEU 32 2HB LEU 32 -15.172 3.604 -7.304 283 HG LEU 32 HG LEU 32 -14.915 5.858 -7.678 284 1HD1 LEU 32 1HD1 LEU 32 -16.337 4.619 -9.329 285 2HD1 LEU 32 2HD1 LEU 32 -17.746 5.424 -8.581 286 3HD1 LEU 32 3HD1 LEU 32 -16.489 6.382 -9.329 287 1HD2 LEU 32 1HD2 LEU 32 -17.611 6.372 -6.280 288 2HD2 LEU 32 2HD2 LEU 32 -16.020 6.779 -5.616 289 3HD2 LEU 32 3HD2 LEU 32 -16.609 7.601 -7.065 290 H ALA 33 H ALA 33 -16.194 1.801 -7.631 291 HA ALA 33 HA ALA 33 -17.746 1.741 -9.953 292 1HB ALA 33 1HB ALA 33 -15.655 0.440 -9.625 293 2HB ALA 33 2HB ALA 33 -16.497 -0.611 -8.451 294 3HB ALA 33 3HB ALA 33 -16.981 -0.607 -10.151 295 H MET 34 H MET 34 -18.524 0.379 -6.723 296 HA MET 34 HA MET 34 -21.018 -0.649 -7.616 297 1HB MET 34 1HB MET 34 -19.667 -0.167 -4.947 298 2HB MET 34 2HB MET 34 -21.327 -0.706 -5.040 299 1HG MET 34 1HG MET 34 -19.427 -2.259 -6.732 300 2HG MET 34 2HG MET 34 -19.115 -2.344 -5.015 301 1HE MET 34 1HE MET 34 -21.846 -3.022 -7.837 302 2HE MET 34 2HE MET 34 -23.130 -3.798 -6.881 303 3HE MET 34 3HE MET 34 -22.796 -2.073 -6.662 304 H GLY 35 H GLY 35 -20.356 1.944 -5.224 305 1HA GLY 35 1HA GLY 35 -20.998 4.159 -6.360 306 2HA GLY 35 2HA GLY 35 -22.657 3.518 -6.263 307 H GLN 36 H GLN 36 -20.092 3.169 -3.881 308 HA GLN 36 HA GLN 36 -21.843 4.192 -1.729 309 1HB GLN 36 1HB GLN 36 -19.472 2.349 -1.492 310 2HB GLN 36 2HB GLN 36 -20.783 2.542 -0.362 311 1HG GLN 36 1HG GLN 36 -21.099 1.309 -3.149 312 2HG GLN 36 2HG GLN 36 -20.655 0.393 -1.721 313 1HE2 GLN 36 1HE2 GLN 36 -22.282 -0.369 -0.408 314 2HE2 GLN 36 2HE2 GLN 36 -23.952 0.166 -0.509 315 H LEU 37 H LEU 37 -18.593 4.149 -3.083 316 HA LEU 37 HA LEU 37 -17.157 5.379 -1.003 317 1HB LEU 37 1HB LEU 37 -16.367 3.891 -2.952 318 2HB LEU 37 2HB LEU 37 -16.364 5.372 -3.913 319 HG LEU 37 HG LEU 37 -14.949 6.200 -1.860 320 1HD1 LEU 37 1HD1 LEU 37 -14.286 3.302 -1.687 321 2HD1 LEU 37 2HD1 LEU 37 -13.523 4.636 -0.792 322 3HD1 LEU 37 3HD1 LEU 37 -15.209 4.213 -0.486 323 1HD2 LEU 37 1HD2 LEU 37 -12.841 5.584 -2.984 324 2HD2 LEU 37 2HD2 LEU 37 -13.802 4.526 -4.045 325 3HD2 LEU 37 3HD2 LEU 37 -14.065 6.273 -4.060 326 H LYS 38 H LYS 38 -17.003 7.428 -0.371 327 HA LYS 38 HA LYS 38 -18.807 9.294 -1.493 328 1HB LYS 38 1HB LYS 38 -17.639 8.971 0.957 329 2HB LYS 38 2HB LYS 38 -16.729 10.361 0.386 330 1HG LYS 38 1HG LYS 38 -19.757 10.099 0.669 331 2HG LYS 38 2HG LYS 38 -18.675 11.001 1.727 332 1HD LYS 38 1HD LYS 38 -18.170 12.594 -0.115 333 2HD LYS 38 2HD LYS 38 -19.287 11.687 -1.165 334 1HE LYS 38 1HE LYS 38 -21.144 12.095 0.316 335 2HE LYS 38 2HE LYS 38 -20.116 13.023 1.418 336 1HZ LYS 38 1HZ LYS 38 -19.838 14.676 -0.273 337 2HZ LYS 38 2HZ LYS 38 -20.579 13.773 -1.418 338 3HZ LYS 38 3HZ LYS 38 -21.449 14.358 -0.150 339 H ASN 39 H ASN 39 -15.218 9.115 -1.969 340 HA ASN 39 HA ASN 39 -15.568 10.937 -4.200 341 1HB ASN 39 1HB ASN 39 -14.157 12.714 -3.561 342 2HB ASN 39 2HB ASN 39 -15.252 12.532 -2.202 343 1HD2 ASN 39 1HD2 ASN 39 -14.364 11.528 -0.211 344 2HD2 ASN 39 2HD2 ASN 39 -12.659 11.650 0.089 345 H THR 40 H THR 40 -13.590 11.131 -5.536 346 HA THR 40 HA THR 40 -11.902 8.753 -5.247 347 HB THR 40 HB THR 40 -11.342 9.359 -7.617 348 HG1 THR 40 HG1 THR 40 -12.548 10.858 -8.628 349 1HG2 THR 40 1HG2 THR 40 -13.454 8.473 -8.539 350 2HG2 THR 40 2HG2 THR 40 -13.015 7.607 -7.051 351 3HG2 THR 40 3HG2 THR 40 -14.295 8.843 -7.016 352 H SER 41 H SER 41 -11.532 12.156 -4.616 353 HA SER 41 HA SER 41 -8.769 12.401 -5.439 354 1HB SER 41 1HB SER 41 -10.252 13.851 -3.205 355 2HB SER 41 2HB SER 41 -8.761 14.366 -4.021 356 HG SER 41 HG SER 41 -10.359 13.970 -5.998 357 H LEU 42 H LEU 42 -10.457 11.113 -2.634 358 HA LEU 42 HA LEU 42 -8.174 10.557 -0.999 359 1HB LEU 42 1HB LEU 42 -10.496 10.545 -0.199 360 2HB LEU 42 2HB LEU 42 -10.885 9.141 -1.188 361 HG LEU 42 HG LEU 42 -8.506 8.881 0.626 362 1HD1 LEU 42 1HD1 LEU 42 -9.888 8.431 2.617 363 2HD1 LEU 42 2HD1 LEU 42 -10.023 10.113 2.084 364 3HD1 LEU 42 3HD1 LEU 42 -11.335 8.977 1.731 365 1HD2 LEU 42 1HD2 LEU 42 -9.445 6.623 1.039 366 2HD2 LEU 42 2HD2 LEU 42 -10.848 7.019 0.024 367 3HD2 LEU 42 3HD2 LEU 42 -9.224 6.929 -0.680 368 H ILE 43 H ILE 43 -10.013 8.480 -3.323 369 HA ILE 43 HA ILE 43 -8.368 6.277 -3.269 370 HB ILE 43 HB ILE 43 -10.479 7.221 -4.883 371 1HG1 ILE 43 1HG1 ILE 43 -10.367 5.156 -3.657 372 2HG1 ILE 43 2HG1 ILE 43 -10.939 4.921 -5.308 373 1HG2 ILE 43 1HG2 ILE 43 -9.025 7.748 -6.772 374 2HG2 ILE 43 2HG2 ILE 43 -8.391 6.102 -6.740 375 3HG2 ILE 43 3HG2 ILE 43 -10.097 6.395 -7.112 376 1HD1 ILE 43 1HD1 ILE 43 -8.716 4.000 -5.960 377 2HD1 ILE 43 2HD1 ILE 43 -8.130 4.237 -4.297 378 3HD1 ILE 43 3HD1 ILE 43 -9.431 3.093 -4.635 379 H LYS 44 H LYS 44 -7.843 9.217 -5.224 380 HA LYS 44 HA LYS 44 -5.607 8.335 -6.687 381 1HB LYS 44 1HB LYS 44 -6.915 10.284 -7.189 382 2HB LYS 44 2HB LYS 44 -6.514 11.061 -5.677 383 1HG LYS 44 1HG LYS 44 -4.157 10.292 -7.362 384 2HG LYS 44 2HG LYS 44 -5.299 11.406 -8.041 385 1HD LYS 44 1HD LYS 44 -4.356 13.076 -7.075 386 2HD LYS 44 2HD LYS 44 -4.881 12.483 -5.485 387 1HE LYS 44 1HE LYS 44 -2.758 11.342 -5.169 388 2HE LYS 44 2HE LYS 44 -2.312 11.585 -6.862 389 1HZ LYS 44 1HZ LYS 44 -2.615 13.775 -4.887 390 2HZ LYS 44 2HZ LYS 44 -1.185 13.185 -5.456 391 3HZ LYS 44 3HZ LYS 44 -2.242 13.965 -6.453 392 H LEU 45 H LEU 45 -5.750 9.737 -3.407 393 HA LEU 45 HA LEU 45 -2.925 10.007 -2.944 394 1HB LEU 45 1HB LEU 45 -5.502 10.232 -1.405 395 2HB LEU 45 2HB LEU 45 -3.966 10.084 -0.619 396 HG LEU 45 HG LEU 45 -4.802 12.247 -2.590 397 1HD1 LEU 45 1HD1 LEU 45 -4.604 13.655 -0.579 398 2HD1 LEU 45 2HD1 LEU 45 -5.763 12.330 -0.375 399 3HD1 LEU 45 3HD1 LEU 45 -4.150 12.206 0.365 400 1HD2 LEU 45 1HD2 LEU 45 -2.123 12.075 -1.120 401 2HD2 LEU 45 2HD2 LEU 45 -2.362 12.015 -2.893 402 3HD2 LEU 45 3HD2 LEU 45 -2.735 13.478 -2.019 403 H THR 46 H THR 46 -5.579 7.474 -2.632 404 HA THR 46 HA THR 46 -4.016 5.759 -1.029 405 HB THR 46 HB THR 46 -6.266 4.956 -2.906 406 HG1 THR 46 HG1 THR 46 -6.335 6.370 -0.457 407 1HG2 THR 46 1HG2 THR 46 -6.647 3.780 -0.457 408 2HG2 THR 46 2HG2 THR 46 -5.937 3.010 -1.899 409 3HG2 THR 46 3HG2 THR 46 -4.908 3.726 -0.637 410 H LYS 47 H LYS 47 -4.586 5.816 -4.640 411 HA LYS 47 HA LYS 47 -2.719 3.762 -5.085 412 1HB LYS 47 1HB LYS 47 -2.370 4.642 -7.447 413 2HB LYS 47 2HB LYS 47 -3.723 3.652 -6.923 414 1HG LYS 47 1HG LYS 47 -3.896 6.481 -6.537 415 2HG LYS 47 2HG LYS 47 -3.916 6.019 -8.250 416 1HD LYS 47 1HD LYS 47 -5.728 4.749 -6.169 417 2HD LYS 47 2HD LYS 47 -6.154 6.273 -6.922 418 1HE LYS 47 1HE LYS 47 -7.188 4.075 -7.846 419 2HE LYS 47 2HE LYS 47 -6.920 5.506 -8.802 420 1HZ LYS 47 1HZ LYS 47 -5.017 3.232 -8.815 421 2HZ LYS 47 2HZ LYS 47 -6.281 3.422 -9.845 422 3HZ LYS 47 3HZ LYS 47 -5.062 4.525 -9.838 423 H ARG 48 H ARG 48 -1.931 7.076 -4.328 424 HA ARG 48 HA ARG 48 0.756 6.842 -5.409 425 1HB ARG 48 1HB ARG 48 1.096 8.965 -4.717 426 2HB ARG 48 2HB ARG 48 -0.663 8.940 -4.561 427 1HG ARG 48 1HG ARG 48 -0.286 8.403 -2.054 428 2HG ARG 48 2HG ARG 48 1.396 8.725 -2.370 429 1HD ARG 48 1HD ARG 48 0.173 10.983 -3.408 430 2HD ARG 48 2HD ARG 48 -0.919 10.520 -2.096 431 HE ARG 48 HE ARG 48 0.943 10.612 -0.533 432 1HH1 ARG 48 2HH2 ARG 48 1.699 12.176 -3.635 433 2HH1 ARG 48 1HH2 ARG 48 3.285 12.671 -3.145 434 1HH2 ARG 48 2HH1 ARG 48 3.034 11.391 0.146 435 2HH2 ARG 48 1HH1 ARG 48 4.062 12.102 -1.036 436 H ASP 49 H ASP 49 -0.691 6.341 -2.135 437 HA ASP 49 HA ASP 49 1.804 5.470 -0.953 438 1HB ASP 49 1HB ASP 49 -1.010 5.742 -0.123 439 2HB ASP 49 2HB ASP 49 -0.346 4.268 0.446 440 H ILE 50 H ILE 50 -0.988 3.834 -2.513 441 HA ILE 50 HA ILE 50 -0.073 1.224 -1.822 442 HB ILE 50 HB ILE 50 -1.954 2.248 -3.935 443 1HG1 ILE 50 1HG1 ILE 50 -3.140 0.108 -2.935 444 2HG1 ILE 50 2HG1 ILE 50 -1.866 0.145 -1.752 445 1HG2 ILE 50 1HG2 ILE 50 -2.258 0.043 -4.993 446 2HG2 ILE 50 2HG2 ILE 50 -0.688 0.698 -5.386 447 3HG2 ILE 50 3HG2 ILE 50 -0.833 -0.580 -4.156 448 1HD1 ILE 50 1HD1 ILE 50 -3.758 2.462 -2.404 449 2HD1 ILE 50 2HD1 ILE 50 -3.885 1.327 -0.969 450 3HD1 ILE 50 3HD1 ILE 50 -2.531 2.426 -1.072 451 H ALA 51 H ALA 51 0.695 3.219 -4.741 452 HA ALA 51 HA ALA 51 2.394 1.085 -5.676 453 1HB ALA 51 1HB ALA 51 2.960 2.752 -7.403 454 2HB ALA 51 2HB ALA 51 1.223 2.807 -7.091 455 3HB ALA 51 3HB ALA 51 2.271 4.065 -6.414 456 H ARG 52 H ARG 52 2.859 3.223 -3.117 457 HA ARG 52 HA ARG 52 5.809 3.039 -3.218 458 1HB ARG 52 1HB ARG 52 4.640 5.117 -2.472 459 2HB ARG 52 2HB ARG 52 3.966 4.243 -1.089 460 1HG ARG 52 1HG ARG 52 6.948 4.498 -1.548 461 2HG ARG 52 2HG ARG 52 5.970 5.726 -0.735 462 1HD ARG 52 1HD ARG 52 5.128 3.610 0.693 463 2HD ARG 52 2HD ARG 52 6.706 2.961 0.225 464 HE ARG 52 HE ARG 52 6.060 5.101 2.084 465 1HH1 ARG 52 2HH2 ARG 52 8.626 4.162 -0.191 466 2HH1 ARG 52 1HH2 ARG 52 9.848 5.070 0.615 467 1HH2 ARG 52 2HH1 ARG 52 7.595 6.136 3.190 468 2HH2 ARG 52 1HH1 ARG 52 9.217 6.334 2.587 469 H ILE 53 H ILE 53 3.186 2.136 -0.890 470 HA ILE 53 HA ILE 53 4.700 0.233 0.540 471 HB ILE 53 HB ILE 53 1.732 0.754 0.131 472 1HG1 ILE 53 1HG1 ILE 53 2.280 1.073 2.806 473 2HG1 ILE 53 2HG1 ILE 53 3.850 1.474 2.144 474 1HG2 ILE 53 1HG2 ILE 53 1.469 -0.814 2.126 475 2HG2 ILE 53 2HG2 ILE 53 1.779 -1.571 0.559 476 3HG2 ILE 53 3HG2 ILE 53 3.085 -1.372 1.750 477 1HD1 ILE 53 1HD1 ILE 53 1.260 2.756 1.258 478 2HD1 ILE 53 2HD1 ILE 53 2.276 3.394 2.570 479 3HD1 ILE 53 3HD1 ILE 53 2.914 3.331 0.918 480 H LYS 54 H LYS 54 2.471 -0.474 -2.191 481 HA LYS 54 HA LYS 54 3.005 -3.220 -1.922 482 1HB LYS 54 1HB LYS 54 1.637 -3.501 -3.863 483 2HB LYS 54 2HB LYS 54 0.984 -2.107 -3.079 484 1HG LYS 54 1HG LYS 54 1.141 -1.414 -5.336 485 2HG LYS 54 2HG LYS 54 2.756 -0.873 -4.781 486 1HD LYS 54 1HD LYS 54 3.870 -2.395 -6.018 487 2HD LYS 54 2HD LYS 54 2.650 -3.665 -5.835 488 1HE LYS 54 1HE LYS 54 1.300 -2.780 -7.574 489 2HE LYS 54 2HE LYS 54 2.087 -1.212 -7.530 490 1HZ LYS 54 1HZ LYS 54 3.931 -2.017 -8.643 491 2HZ LYS 54 2HZ LYS 54 3.619 -3.604 -8.298 492 3HZ LYS 54 3HZ LYS 54 2.715 -2.805 -9.399 493 H THR 55 H THR 55 4.938 -0.727 -3.363 494 HA THR 55 HA THR 55 6.657 -2.574 -4.810 495 HB THR 55 HB THR 55 6.599 0.375 -4.186 496 HG1 THR 55 HG1 THR 55 6.439 0.424 -6.444 497 1HG2 THR 55 1HG2 THR 55 8.634 0.716 -5.544 498 2HG2 THR 55 2HG2 THR 55 8.979 -0.108 -4.028 499 3HG2 THR 55 3HG2 THR 55 8.934 -1.043 -5.545 500 H ILE 56 H ILE 56 6.661 -0.892 -1.592 501 HA ILE 56 HA ILE 56 9.231 -1.495 -0.770 502 HB ILE 56 HB ILE 56 6.693 -1.416 0.811 503 1HG1 ILE 56 1HG1 ILE 56 7.996 0.649 -0.264 504 2HG1 ILE 56 2HG1 ILE 56 7.127 0.709 1.236 505 1HG2 ILE 56 1HG2 ILE 56 7.987 -2.926 2.126 506 2HG2 ILE 56 2HG2 ILE 56 9.463 -2.018 1.851 507 3HG2 ILE 56 3HG2 ILE 56 8.168 -1.349 2.872 508 1HD1 ILE 56 1HD1 ILE 56 10.097 0.268 1.009 509 2HD1 ILE 56 2HD1 ILE 56 9.319 1.820 1.370 510 3HD1 ILE 56 3HD1 ILE 56 9.206 0.500 2.558 511 H LEU 57 H LEU 57 6.420 -3.617 -0.590 512 HA LEU 57 HA LEU 57 7.638 -5.859 0.700 513 1HB LEU 57 1HB LEU 57 5.283 -5.845 0.499 514 2HB LEU 57 2HB LEU 57 5.349 -5.597 -1.247 515 HG LEU 57 HG LEU 57 6.026 -7.840 -1.653 516 1HD1 LEU 57 1HD1 LEU 57 7.600 -8.268 0.112 517 2HD1 LEU 57 2HD1 LEU 57 6.337 -8.159 1.359 518 3HD1 LEU 57 3HD1 LEU 57 6.352 -9.496 0.185 519 1HD2 LEU 57 1HD2 LEU 57 3.602 -7.440 -1.141 520 2HD2 LEU 57 2HD2 LEU 57 4.136 -9.093 -0.722 521 3HD2 LEU 57 3HD2 LEU 57 3.907 -7.878 0.551 522 H ARG 58 H ARG 58 7.195 -5.222 -2.693 523 HA ARG 58 HA ARG 58 8.591 -7.419 -3.776 524 1HB ARG 58 1HB ARG 58 7.175 -5.209 -4.785 525 2HB ARG 58 2HB ARG 58 8.806 -4.887 -5.332 526 1HG ARG 58 1HG ARG 58 7.192 -7.423 -5.810 527 2HG ARG 58 2HG ARG 58 7.520 -6.165 -7.003 528 1HD ARG 58 1HD ARG 58 9.997 -7.254 -5.845 529 2HD ARG 58 2HD ARG 58 9.006 -8.509 -6.499 530 HE ARG 58 HE ARG 58 10.191 -6.171 -7.933 531 1HH1 ARG 58 2HH2 ARG 58 8.241 -9.142 -8.391 532 2HH1 ARG 58 1HH2 ARG 58 8.816 -9.353 -10.010 533 1HH2 ARG 58 2HH1 ARG 58 10.838 -6.460 -9.964 534 2HH2 ARG 58 1HH1 ARG 58 10.237 -7.707 -10.994 535 H GLU 59 H GLU 59 9.791 -4.146 -3.106 536 HA GLU 59 HA GLU 59 12.501 -4.397 -3.862 537 1HB GLU 59 1HB GLU 59 11.543 -2.924 -1.361 538 2HB GLU 59 2HB GLU 59 12.992 -2.632 -2.287 539 1HG GLU 59 1HG GLU 59 10.870 -2.390 -4.157 540 2HG GLU 59 2HG GLU 59 10.333 -1.596 -2.679 541 H ARG 60 H ARG 60 10.909 -5.596 -0.913 542 HA ARG 60 HA ARG 60 13.427 -6.217 0.428 543 1HB ARG 60 1HB ARG 60 10.596 -7.175 1.039 544 2HB ARG 60 2HB ARG 60 12.002 -7.624 1.965 545 1HG ARG 60 1HG ARG 60 12.414 -5.143 2.427 546 2HG ARG 60 2HG ARG 60 10.831 -4.845 1.697 547 1HD ARG 60 1HD ARG 60 10.401 -5.006 4.021 548 2HD ARG 60 2HD ARG 60 9.871 -6.549 3.372 549 HE ARG 60 HE ARG 60 12.407 -6.021 4.889 550 1HH1 ARG 60 2HH2 ARG 60 9.954 -8.519 3.895 551 2HH1 ARG 60 1HH2 ARG 60 10.671 -9.656 4.981 552 1HH2 ARG 60 2HH1 ARG 60 13.118 -7.581 6.345 553 2HH2 ARG 60 1HH1 ARG 60 12.114 -9.002 6.583 554 H GLU 61 H GLU 61 11.230 -7.838 -1.673 555 HA GLU 61 HA GLU 61 11.881 -10.541 -1.199 556 1HB GLU 61 1HB GLU 61 10.839 -9.370 -3.719 557 2HB GLU 61 2HB GLU 61 10.963 -11.070 -3.352 558 1HG GLU 61 1HG GLU 61 9.389 -9.083 -1.668 559 2HG GLU 61 2HG GLU 61 8.795 -10.001 -3.015 560 H LEU 62 H LEU 62 13.040 -8.340 -3.949 561 HA LEU 62 HA LEU 62 14.902 -10.209 -4.823 562 1HB LEU 62 1HB LEU 62 15.325 -7.253 -5.267 563 2HB LEU 62 2HB LEU 62 15.673 -8.592 -6.294 564 HG LEU 62 HG LEU 62 13.956 -7.828 -7.421 565 1HD1 LEU 62 1HD1 LEU 62 11.966 -9.020 -5.540 566 2HD1 LEU 62 2HD1 LEU 62 11.926 -8.897 -7.298 567 3HD1 LEU 62 3HD1 LEU 62 13.056 -10.015 -6.536 568 1HD2 LEU 62 1HD2 LEU 62 13.696 -5.783 -6.411 569 2HD2 LEU 62 2HD2 LEU 62 12.064 -6.448 -6.456 570 3HD2 LEU 62 3HD2 LEU 62 13.009 -6.481 -4.944 571 H GLY 63 H GLY 63 15.423 -7.288 -2.801 572 1HA GLY 63 1HA GLY 63 17.718 -7.800 -1.403 573 2HA GLY 63 2HA GLY 63 18.323 -7.697 -3.037 574 H ILE 64 H ILE 64 15.727 -5.462 -2.998 575 HA ILE 64 HA ILE 64 17.606 -3.336 -3.252 576 HB ILE 64 HB ILE 64 14.594 -3.539 -3.380 577 1HG1 ILE 64 1HG1 ILE 64 15.631 -4.940 -5.097 578 2HG1 ILE 64 2HG1 ILE 64 14.749 -3.577 -5.762 579 1HG2 ILE 64 1HG2 ILE 64 14.723 -1.422 -4.705 580 2HG2 ILE 64 2HG2 ILE 64 15.096 -1.259 -3.013 581 3HG2 ILE 64 3HG2 ILE 64 16.431 -1.277 -4.187 582 1HD1 ILE 64 1HD1 ILE 64 17.770 -3.563 -5.431 583 2HD1 ILE 64 2HD1 ILE 64 16.913 -4.056 -6.893 584 3HD1 ILE 64 3HD1 ILE 64 16.764 -2.391 -6.301 585 H ARG 65 H ARG 65 15.585 -4.594 -0.751 586 HA ARG 65 HA ARG 65 16.224 -2.370 1.072 587 1HB ARG 65 1HB ARG 65 13.408 -3.362 0.411 588 2HB ARG 65 2HB ARG 65 13.812 -2.560 1.919 589 1HG ARG 65 1HG ARG 65 14.197 -1.354 -0.828 590 2HG ARG 65 2HG ARG 65 12.810 -1.017 0.189 591 1HD ARG 65 1HD ARG 65 15.734 -0.270 0.753 592 2HD ARG 65 2HD ARG 65 14.452 0.797 0.285 593 HE ARG 65 HE ARG 65 13.274 0.081 2.405 594 1HH1 ARG 65 2HH2 ARG 65 16.868 -0.241 2.402 595 2HH1 ARG 65 1HH2 ARG 65 17.009 0.193 4.053 596 1HH2 ARG 65 2HH1 ARG 65 13.556 0.873 4.529 597 2HH2 ARG 65 1HH1 ARG 65 15.082 0.823 5.322 598 H ARG 66 H ARG 66 17.772 -3.778 1.462 599 HA ARG 66 HA ARG 66 17.357 -6.294 2.741 600 1HB ARG 66 1HB ARG 66 19.642 -6.106 3.394 601 2HB ARG 66 2HB ARG 66 19.518 -5.339 1.826 602 1HG ARG 66 1HG ARG 66 19.333 -3.104 3.030 603 2HG ARG 66 2HG ARG 66 19.687 -4.005 4.547 604 1HD ARG 66 1HD ARG 66 21.861 -4.744 3.356 605 2HD ARG 66 2HD ARG 66 21.489 -3.542 2.130 606 HE ARG 66 HE ARG 66 21.605 -2.869 5.030 607 1HH1 ARG 66 2HH2 ARG 66 23.282 -2.461 1.961 608 2HH1 ARG 66 1HH2 ARG 66 23.952 -0.905 2.405 609 1HH2 ARG 66 2HH1 ARG 66 22.249 -0.845 5.531 610 2HH2 ARG 66 1HH1 ARG 66 23.391 0.033 4.577 Start of MODEL 3 1 1H MET 1 1H MET 1 12.285 5.765 -3.657 2 HA MET 1 HA MET 1 11.622 7.169 -1.814 3 1HB MET 1 1HB MET 1 10.326 4.481 -2.115 4 2HB MET 1 2HB MET 1 9.848 5.498 -0.747 5 1HG MET 1 1HG MET 1 8.337 6.208 -2.278 6 2HG MET 1 2HG MET 1 9.603 7.397 -2.517 7 1HE MET 1 1HE MET 1 8.020 7.030 -6.027 8 2HE MET 1 2HE MET 1 7.300 7.119 -4.405 9 3HE MET 1 3HE MET 1 8.669 8.167 -4.818 10 H LYS 2 H LYS 2 11.363 7.507 0.387 11 HA LYS 2 HA LYS 2 13.193 6.004 2.177 12 1HB LYS 2 1HB LYS 2 13.311 8.460 2.092 13 2HB LYS 2 2HB LYS 2 11.590 8.571 2.487 14 1HG LYS 2 1HG LYS 2 11.972 7.716 4.721 15 2HG LYS 2 2HG LYS 2 13.682 7.393 4.370 16 1HD LYS 2 1HD LYS 2 12.445 10.171 4.139 17 2HD LYS 2 2HD LYS 2 13.093 9.554 5.662 18 1HE LYS 2 1HE LYS 2 15.297 9.347 4.798 19 2HE LYS 2 2HE LYS 2 14.774 9.595 3.122 20 1HZ LYS 2 1HZ LYS 2 14.328 11.861 3.575 21 2HZ LYS 2 2HZ LYS 2 14.517 11.690 5.203 22 3HZ LYS 2 3HZ LYS 2 15.793 11.562 4.207 23 H ALA 3 H ALA 3 12.335 5.171 4.231 24 HA ALA 3 HA ALA 3 9.409 4.827 4.405 25 1HB ALA 3 1HB ALA 3 9.952 2.642 5.510 26 2HB ALA 3 2HB ALA 3 10.165 2.671 3.742 27 3HB ALA 3 3HB ALA 3 11.566 2.733 4.835 28 H SER 4 H SER 4 12.269 4.006 6.294 29 HA SER 4 HA SER 4 12.750 3.970 8.387 30 1HB SER 4 1HB SER 4 10.807 6.264 8.896 31 2HB SER 4 2HB SER 4 11.915 5.552 10.059 32 HG SER 4 HG SER 4 12.386 7.372 8.090 33 H GLU 5 H GLU 5 9.389 4.625 7.963 34 HA GLU 5 HA GLU 5 8.650 2.902 10.198 35 1HB GLU 5 1HB GLU 5 6.297 3.400 9.590 36 2HB GLU 5 2HB GLU 5 7.317 4.820 9.770 37 1HG GLU 5 1HG GLU 5 7.525 4.958 7.265 38 2HG GLU 5 2HG GLU 5 6.349 3.661 7.143 39 H LEU 6 H LEU 6 8.246 2.592 6.765 40 HA LEU 6 HA LEU 6 7.212 -0.170 6.849 41 1HB LEU 6 1HB LEU 6 8.159 1.822 4.687 42 2HB LEU 6 2HB LEU 6 7.765 0.189 4.276 43 HG LEU 6 HG LEU 6 5.828 2.059 5.699 44 1HD1 LEU 6 1HD1 LEU 6 6.630 2.992 3.494 45 2HD1 LEU 6 2HD1 LEU 6 5.825 1.612 2.713 46 3HD1 LEU 6 3HD1 LEU 6 4.895 2.766 3.692 47 1HD2 LEU 6 1HD2 LEU 6 5.215 -0.328 5.817 48 2HD2 LEU 6 2HD2 LEU 6 4.122 0.540 4.759 49 3HD2 LEU 6 3HD2 LEU 6 5.403 -0.474 4.053 50 H ARG 7 H ARG 7 10.414 1.125 6.936 51 HA ARG 7 HA ARG 7 11.481 -1.505 6.265 52 1HB ARG 7 1HB ARG 7 12.422 0.651 5.363 53 2HB ARG 7 2HB ARG 7 12.851 1.145 7.011 54 1HG ARG 7 1HG ARG 7 13.661 -1.569 6.178 55 2HG ARG 7 2HG ARG 7 14.390 -0.275 5.223 56 1HD ARG 7 1HD ARG 7 15.754 0.419 6.916 57 2HD ARG 7 2HD ARG 7 14.513 0.161 8.161 58 HE ARG 7 HE ARG 7 15.061 -2.379 7.572 59 1HH1 ARG 7 2HH2 ARG 7 17.163 0.306 8.556 60 2HH1 ARG 7 1HH2 ARG 7 18.359 -0.773 9.233 61 1HH2 ARG 7 2HH1 ARG 7 16.596 -3.715 8.408 62 2HH2 ARG 7 1HH1 ARG 7 18.076 -3.097 9.074 63 H ASN 8 H ASN 8 9.989 -0.003 8.880 64 HA ASN 8 HA ASN 8 11.923 -0.831 10.949 65 1HB ASN 8 1HB ASN 8 10.629 1.242 11.427 66 2HB ASN 8 2HB ASN 8 9.124 0.319 11.314 67 1HD2 ASN 8 1HD2 ASN 8 12.256 0.307 13.177 68 2HD2 ASN 8 2HD2 ASN 8 11.515 -0.418 14.582 69 H TYR 9 H TYR 9 8.708 -2.055 9.533 70 HA TYR 9 HA TYR 9 8.466 -3.800 11.696 71 1HB TYR 9 1HB TYR 9 6.842 -3.785 9.307 72 2HB TYR 9 2HB TYR 9 6.578 -4.503 10.875 73 HD1 TYR 9 HD1 TYR 9 5.333 -2.042 8.975 74 HD2 TYR 9 HD2 TYR 9 7.089 -2.631 12.865 75 HE1 TYR 9 HE1 TYR 9 4.175 -0.057 9.759 76 HE2 TYR 9 HE2 TYR 9 5.962 -0.554 13.681 77 HH TYR 9 HH TYR 9 3.599 1.189 11.642 78 H THR 10 H THR 10 8.039 -6.230 11.134 79 HA THR 10 HA THR 10 10.471 -7.231 9.859 80 HB THR 10 HB THR 10 9.645 -9.380 10.754 81 HG1 THR 10 HG1 THR 10 7.793 -9.317 12.125 82 1HG2 THR 10 1HG2 THR 10 9.876 -8.864 13.167 83 2HG2 THR 10 2HG2 THR 10 11.033 -7.875 12.234 84 3HG2 THR 10 3HG2 THR 10 9.532 -7.145 12.874 85 H ASP 11 H ASP 11 10.256 -8.361 7.805 86 HA ASP 11 HA ASP 11 8.572 -8.060 5.855 87 1HB ASP 11 1HB ASP 11 9.620 -10.756 6.755 88 2HB ASP 11 2HB ASP 11 8.691 -10.500 5.277 89 H GLU 12 H GLU 12 7.843 -10.105 8.643 90 HA GLU 12 HA GLU 12 5.446 -11.208 7.746 91 1HB GLU 12 1HB GLU 12 7.055 -11.882 9.689 92 2HB GLU 12 2HB GLU 12 6.223 -10.670 10.647 93 1HG GLU 12 1HG GLU 12 5.055 -12.575 11.217 94 2HG GLU 12 2HG GLU 12 4.035 -11.967 9.902 95 H GLU 13 H GLU 13 6.079 -8.292 9.748 96 HA GLU 13 HA GLU 13 3.289 -7.539 10.089 97 1HB GLU 13 1HB GLU 13 6.090 -6.529 10.703 98 2HB GLU 13 2HB GLU 13 4.713 -5.452 10.964 99 1HG GLU 13 1HG GLU 13 5.088 -8.223 12.192 100 2HG GLU 13 2HG GLU 13 5.439 -6.698 12.961 101 H LEU 14 H LEU 14 5.969 -6.698 8.030 102 HA LEU 14 HA LEU 14 4.805 -4.496 6.608 103 1HB LEU 14 1HB LEU 14 6.893 -6.536 5.730 104 2HB LEU 14 2HB LEU 14 6.297 -5.292 4.685 105 HG LEU 14 HG LEU 14 8.156 -4.284 5.228 106 1HD1 LEU 14 1HD1 LEU 14 6.303 -3.436 7.435 107 2HD1 LEU 14 2HD1 LEU 14 7.973 -3.047 7.731 108 3HD1 LEU 14 3HD1 LEU 14 7.094 -2.455 6.246 109 1HD2 LEU 14 1HD2 LEU 14 8.513 -5.352 7.861 110 2HD2 LEU 14 2HD2 LEU 14 9.136 -6.088 6.365 111 3HD2 LEU 14 3HD2 LEU 14 9.664 -4.476 6.876 112 H LYS 15 H LYS 15 4.909 -7.984 5.527 113 HA LYS 15 HA LYS 15 3.338 -7.583 3.294 114 1HB LYS 15 1HB LYS 15 2.726 -9.923 3.472 115 2HB LYS 15 2HB LYS 15 4.456 -9.614 3.606 116 1HG LYS 15 1HG LYS 15 4.307 -11.196 5.240 117 2HG LYS 15 2HG LYS 15 3.961 -9.770 6.209 118 1HD LYS 15 1HD LYS 15 2.022 -10.718 6.860 119 2HD LYS 15 2HD LYS 15 1.435 -10.661 5.203 120 1HE LYS 15 1HE LYS 15 1.186 -12.857 5.548 121 2HE LYS 15 2HE LYS 15 2.869 -12.926 5.007 122 1HZ LYS 15 1HZ LYS 15 2.037 -12.783 7.867 123 2HZ LYS 15 2HZ LYS 15 2.312 -14.172 7.067 124 3HZ LYS 15 3HZ LYS 15 3.546 -13.146 7.315 125 H ASN 16 H ASN 16 2.252 -8.238 6.623 126 HA ASN 16 HA ASN 16 -0.501 -8.470 5.929 127 1HB ASN 16 1HB ASN 16 0.934 -9.236 8.025 128 2HB ASN 16 2HB ASN 16 0.809 -7.594 8.589 129 1HD2 ASN 16 1HD2 ASN 16 -1.179 -7.109 9.797 130 2HD2 ASN 16 2HD2 ASN 16 -2.552 -8.198 9.744 131 H LEU 17 H LEU 17 1.379 -5.820 6.062 132 HA LEU 17 HA LEU 17 -0.866 -3.871 6.671 133 1HB LEU 17 1HB LEU 17 2.108 -3.758 7.041 134 2HB LEU 17 2HB LEU 17 1.388 -2.336 6.315 135 HG LEU 17 HG LEU 17 -0.213 -2.181 8.214 136 1HD1 LEU 17 1HD1 LEU 17 -0.005 -4.552 9.017 137 2HD1 LEU 17 2HD1 LEU 17 1.639 -4.186 9.571 138 3HD1 LEU 17 3HD1 LEU 17 0.259 -3.337 10.288 139 1HD2 LEU 17 1HD2 LEU 17 1.762 -0.759 8.095 140 2HD2 LEU 17 2HD2 LEU 17 1.562 -1.292 9.768 141 3HD2 LEU 17 3HD2 LEU 17 2.787 -2.064 8.751 142 H LEU 18 H LEU 18 1.750 -4.661 4.400 143 HA LEU 18 HA LEU 18 1.001 -2.589 2.549 144 1HB LEU 18 1HB LEU 18 2.711 -4.964 1.762 145 2HB LEU 18 2HB LEU 18 2.800 -3.321 1.199 146 HG LEU 18 HG LEU 18 4.188 -4.701 3.373 147 1HD1 LEU 18 1HD1 LEU 18 5.151 -3.669 1.309 148 2HD1 LEU 18 2HD1 LEU 18 5.011 -2.118 2.174 149 3HD1 LEU 18 3HD1 LEU 18 6.001 -3.427 2.846 150 1HD2 LEU 18 1HD2 LEU 18 3.040 -3.181 4.974 151 2HD2 LEU 18 2HD2 LEU 18 4.688 -2.691 4.776 152 3HD2 LEU 18 3HD2 LEU 18 3.360 -1.807 3.972 153 H GLU 19 H GLU 19 0.367 -6.086 2.872 154 HA GLU 19 HA GLU 19 -1.072 -6.398 0.461 155 1HB GLU 19 1HB GLU 19 -1.952 -8.325 1.345 156 2HB GLU 19 2HB GLU 19 -0.441 -8.193 2.214 157 1HG GLU 19 1HG GLU 19 -1.522 -7.571 4.232 158 2HG GLU 19 2HG GLU 19 -3.046 -7.228 3.456 159 H GLU 20 H GLU 20 -2.003 -4.914 3.561 160 HA GLU 20 HA GLU 20 -4.772 -4.692 3.004 161 1HB GLU 20 1HB GLU 20 -3.768 -4.313 5.278 162 2HB GLU 20 2HB GLU 20 -3.241 -2.713 4.730 163 1HG GLU 20 1HG GLU 20 -5.501 -2.020 4.242 164 2HG GLU 20 2HG GLU 20 -6.131 -3.637 4.550 165 H LYS 21 H LYS 21 -2.155 -2.189 2.485 166 HA LYS 21 HA LYS 21 -3.810 -0.347 1.191 167 1HB LYS 21 1HB LYS 21 -0.818 -0.946 1.059 168 2HB LYS 21 2HB LYS 21 -1.513 0.525 0.422 169 1HG LYS 21 1HG LYS 21 -1.672 -0.372 3.315 170 2HG LYS 21 2HG LYS 21 -0.536 0.793 2.703 171 1HD LYS 21 1HD LYS 21 -3.540 1.287 2.562 172 2HD LYS 21 2HD LYS 21 -2.570 1.632 3.979 173 1HE LYS 21 1HE LYS 21 -1.074 3.071 2.558 174 2HE LYS 21 2HE LYS 21 -2.251 2.886 1.236 175 1HZ LYS 21 1HZ LYS 21 -3.919 3.848 2.806 176 2HZ LYS 21 2HZ LYS 21 -2.762 4.001 3.937 177 3HZ LYS 21 3HZ LYS 21 -2.654 4.905 2.606 178 H LYS 22 H LYS 22 -1.602 -2.875 -0.285 179 HA LYS 22 HA LYS 22 -2.332 -2.471 -2.910 180 1HB LYS 22 1HB LYS 22 -0.612 -4.113 -2.068 181 2HB LYS 22 2HB LYS 22 -1.928 -5.221 -1.640 182 1HG LYS 22 1HG LYS 22 -2.663 -5.228 -4.031 183 2HG LYS 22 2HG LYS 22 -1.316 -4.145 -4.434 184 1HD LYS 22 1HD LYS 22 0.302 -5.880 -3.834 185 2HD LYS 22 2HD LYS 22 -1.016 -6.926 -3.252 186 1HE LYS 22 1HE LYS 22 -2.013 -6.997 -5.479 187 2HE LYS 22 2HE LYS 22 -0.731 -5.956 -6.113 188 1HZ LYS 22 1HZ LYS 22 -0.426 -8.300 -6.553 189 2HZ LYS 22 2HZ LYS 22 0.852 -7.693 -5.737 190 3HZ LYS 22 3HZ LYS 22 -0.268 -8.646 -4.963 191 H ARG 23 H ARG 23 -4.247 -4.523 -0.575 192 HA ARG 23 HA ARG 23 -6.261 -5.046 -2.571 193 1HB ARG 23 1HB ARG 23 -7.707 -5.825 -0.849 194 2HB ARG 23 2HB ARG 23 -6.113 -6.540 -0.676 195 1HG ARG 23 1HG ARG 23 -5.701 -4.990 1.187 196 2HG ARG 23 2HG ARG 23 -7.349 -4.364 1.080 197 1HD ARG 23 1HD ARG 23 -6.499 -7.240 1.655 198 2HD ARG 23 2HD ARG 23 -7.026 -6.058 2.864 199 HE ARG 23 HE ARG 23 -9.066 -6.341 0.842 200 1HH1 ARG 23 2HH2 ARG 23 -7.563 -8.344 3.405 201 2HH1 ARG 23 1HH2 ARG 23 -9.009 -9.257 3.621 202 1HH2 ARG 23 2HH1 ARG 23 -10.861 -7.531 1.120 203 2HH2 ARG 23 1HH1 ARG 23 -10.996 -8.767 2.331 204 H GLN 24 H GLN 24 -6.214 -2.614 0.142 205 HA GLN 24 HA GLN 24 -8.722 -1.606 -0.214 206 1HB GLN 24 1HB GLN 24 -6.082 -0.372 0.586 207 2HB GLN 24 2HB GLN 24 -7.497 0.618 0.400 208 1HG GLN 24 1HG GLN 24 -8.543 -1.388 1.985 209 2HG GLN 24 2HG GLN 24 -6.886 -1.277 2.563 210 1HE2 GLN 24 1HE2 GLN 24 -9.173 -0.656 4.172 211 2HE2 GLN 24 2HE2 GLN 24 -9.049 1.032 4.589 212 H LEU 25 H LEU 25 -5.797 -0.699 -2.144 213 HA LEU 25 HA LEU 25 -7.103 1.393 -3.614 214 1HB LEU 25 1HB LEU 25 -4.781 1.088 -3.888 215 2HB LEU 25 2HB LEU 25 -4.966 -0.630 -4.242 216 HG LEU 25 HG LEU 25 -6.068 0.076 -6.463 217 1HD1 LEU 25 1HD1 LEU 25 -6.930 2.249 -5.822 218 2HD1 LEU 25 2HD1 LEU 25 -5.329 2.820 -5.341 219 3HD1 LEU 25 3HD1 LEU 25 -5.717 2.511 -7.071 220 1HD2 LEU 25 1HD2 LEU 25 -3.657 -0.454 -6.315 221 2HD2 LEU 25 2HD2 LEU 25 -4.069 0.679 -7.579 222 3HD2 LEU 25 3HD2 LEU 25 -3.309 1.280 -6.078 223 H MET 26 H MET 26 -6.905 -2.110 -4.282 224 HA MET 26 HA MET 26 -8.618 -2.013 -6.581 225 1HB MET 26 1HB MET 26 -7.955 -4.395 -4.802 226 2HB MET 26 2HB MET 26 -8.559 -4.457 -6.461 227 1HG MET 26 1HG MET 26 -6.470 -3.408 -7.269 228 2HG MET 26 2HG MET 26 -5.897 -3.259 -5.614 229 1HE MET 26 1HE MET 26 -5.900 -7.027 -8.218 230 2HE MET 26 2HE MET 26 -7.234 -5.852 -8.179 231 3HE MET 26 3HE MET 26 -5.627 -5.357 -8.757 232 H GLU 27 H GLU 27 -9.338 -2.194 -3.156 233 HA GLU 27 HA GLU 27 -12.062 -3.269 -3.602 234 1HB GLU 27 1HB GLU 27 -10.777 -2.335 -1.014 235 2HB GLU 27 2HB GLU 27 -12.247 -3.294 -1.171 236 1HG GLU 27 1HG GLU 27 -9.956 -4.585 -2.541 237 2HG GLU 27 2HG GLU 27 -9.603 -4.196 -0.868 238 H LEU 28 H LEU 28 -10.539 -0.199 -2.510 239 HA LEU 28 HA LEU 28 -12.954 1.238 -2.154 240 1HB LEU 28 1HB LEU 28 -10.127 2.064 -2.884 241 2HB LEU 28 2HB LEU 28 -11.379 3.192 -2.436 242 HG LEU 28 HG LEU 28 -10.386 0.977 -0.587 243 1HD1 LEU 28 1HD1 LEU 28 -8.643 2.644 -1.256 244 2HD1 LEU 28 2HD1 LEU 28 -9.652 3.931 -0.565 245 3HD1 LEU 28 3HD1 LEU 28 -8.993 2.626 0.464 246 1HD2 LEU 28 1HD2 LEU 28 -11.421 2.119 1.196 247 2HD2 LEU 28 2HD2 LEU 28 -12.009 3.431 0.119 248 3HD2 LEU 28 3HD2 LEU 28 -12.624 1.757 -0.031 249 H ARG 29 H ARG 29 -10.943 0.589 -5.019 250 HA ARG 29 HA ARG 29 -12.519 2.339 -6.721 251 1HB ARG 29 1HB ARG 29 -11.510 1.415 -8.635 252 2HB ARG 29 2HB ARG 29 -10.266 1.659 -7.412 253 1HG ARG 29 1HG ARG 29 -10.302 -0.692 -6.875 254 2HG ARG 29 2HG ARG 29 -11.593 -1.033 -8.024 255 1HD ARG 29 1HD ARG 29 -8.837 0.022 -8.796 256 2HD ARG 29 2HD ARG 29 -9.291 -1.680 -8.759 257 HE ARG 29 HE ARG 29 -10.692 -1.464 -10.583 258 1HH1 ARG 29 2HH2 ARG 29 -9.132 1.659 -9.930 259 2HH1 ARG 29 1HH2 ARG 29 -9.590 2.355 -11.449 260 1HH2 ARG 29 2HH1 ARG 29 -11.354 -0.577 -12.472 261 2HH2 ARG 29 1HH1 ARG 29 -11.113 1.092 -12.863 262 H PHE 30 H PHE 30 -13.099 -0.881 -5.417 263 HA PHE 30 HA PHE 30 -15.245 -1.518 -7.261 264 1HB PHE 30 1HB PHE 30 -14.041 -3.322 -6.242 265 2HB PHE 30 2HB PHE 30 -14.319 -2.734 -4.643 266 HD1 PHE 30 HD1 PHE 30 -15.551 -4.927 -7.151 267 HD2 PHE 30 HD2 PHE 30 -16.753 -2.625 -3.703 268 HE1 PHE 30 HE1 PHE 30 -17.559 -6.359 -6.888 269 HE2 PHE 30 HE2 PHE 30 -18.774 -4.027 -3.481 270 HZ PHE 30 HZ PHE 30 -19.184 -5.891 -5.063 271 H GLN 31 H GLN 31 -15.044 0.411 -4.092 272 HA GLN 31 HA GLN 31 -17.896 0.190 -3.715 273 1HB GLN 31 1HB GLN 31 -15.787 1.942 -2.360 274 2HB GLN 31 2HB GLN 31 -17.465 1.708 -1.865 275 1HG GLN 31 1HG GLN 31 -16.869 -0.818 -1.665 276 2HG GLN 31 2HG GLN 31 -15.185 -0.293 -1.709 277 1HE2 GLN 31 1HE2 GLN 31 -14.284 0.006 0.445 278 2HE2 GLN 31 2HE2 GLN 31 -15.309 0.589 1.749 279 H LEU 32 H LEU 32 -15.382 2.296 -5.025 280 HA LEU 32 HA LEU 32 -16.923 4.583 -5.698 281 1HB LEU 32 1HB LEU 32 -14.481 4.458 -5.652 282 2HB LEU 32 2HB LEU 32 -14.447 3.216 -6.818 283 HG LEU 32 HG LEU 32 -13.731 5.302 -7.637 284 1HD1 LEU 32 1HD1 LEU 32 -16.230 4.860 -9.242 285 2HD1 LEU 32 2HD1 LEU 32 -14.679 5.500 -9.750 286 3HD1 LEU 32 3HD1 LEU 32 -14.804 3.797 -9.288 287 1HD2 LEU 32 1HD2 LEU 32 -15.047 6.803 -6.206 288 2HD2 LEU 32 2HD2 LEU 32 -15.303 7.265 -7.910 289 3HD2 LEU 32 3HD2 LEU 32 -16.532 6.344 -7.027 290 H ALA 33 H ALA 33 -16.045 1.738 -7.601 291 HA ALA 33 HA ALA 33 -17.593 2.197 -9.909 292 1HB ALA 33 1HB ALA 33 -17.549 -0.334 -10.103 293 2HB ALA 33 2HB ALA 33 -15.955 0.407 -9.864 294 3HB ALA 33 3HB ALA 33 -16.793 -0.405 -8.527 295 H MET 34 H MET 34 -18.593 0.831 -6.715 296 HA MET 34 HA MET 34 -21.232 0.224 -7.584 297 1HB MET 34 1HB MET 34 -19.800 0.438 -4.906 298 2HB MET 34 2HB MET 34 -21.518 0.273 -4.989 299 1HG MET 34 1HG MET 34 -20.572 -1.759 -6.687 300 2HG MET 34 2HG MET 34 -19.443 -1.730 -5.323 301 1HE MET 34 1HE MET 34 -23.993 -2.187 -5.043 302 2HE MET 34 2HE MET 34 -23.095 -1.033 -6.024 303 3HE MET 34 3HE MET 34 -23.119 -2.751 -6.485 304 H GLY 35 H GLY 35 -19.583 3.096 -6.451 305 1HA GLY 35 1HA GLY 35 -20.388 5.195 -6.972 306 2HA GLY 35 2HA GLY 35 -22.064 4.703 -6.692 307 H GLN 36 H GLN 36 -19.465 3.833 -4.343 308 HA GLN 36 HA GLN 36 -21.104 5.453 -2.431 309 1HB GLN 36 1HB GLN 36 -19.421 3.030 -1.766 310 2HB GLN 36 2HB GLN 36 -20.744 3.785 -0.856 311 1HG GLN 36 1HG GLN 36 -22.246 3.199 -2.876 312 2HG GLN 36 2HG GLN 36 -20.880 2.257 -3.480 313 1HE2 GLN 36 1HE2 GLN 36 -22.849 0.623 -3.243 314 2HE2 GLN 36 2HE2 GLN 36 -22.797 -0.350 -1.792 315 H LEU 37 H LEU 37 -17.858 4.761 -3.466 316 HA LEU 37 HA LEU 37 -16.266 6.016 -1.516 317 1HB LEU 37 1HB LEU 37 -15.796 4.524 -3.531 318 2HB LEU 37 2HB LEU 37 -15.782 6.003 -4.443 319 HG LEU 37 HG LEU 37 -13.572 5.553 -4.004 320 1HD1 LEU 37 1HD1 LEU 37 -12.640 7.173 -2.468 321 2HD1 LEU 37 2HD1 LEU 37 -14.015 7.884 -3.329 322 3HD1 LEU 37 3HD1 LEU 37 -14.189 7.349 -1.640 323 1HD2 LEU 37 1HD2 LEU 37 -12.727 4.767 -1.806 324 2HD2 LEU 37 2HD2 LEU 37 -14.393 4.709 -1.214 325 3HD2 LEU 37 3HD2 LEU 37 -13.914 3.688 -2.593 326 H LYS 38 H LYS 38 -17.449 7.933 -0.777 327 HA LYS 38 HA LYS 38 -18.294 9.806 -2.790 328 1HB LYS 38 1HB LYS 38 -19.479 9.110 -0.594 329 2HB LYS 38 2HB LYS 38 -18.464 10.327 0.182 330 1HG LYS 38 1HG LYS 38 -19.415 12.067 -1.311 331 2HG LYS 38 2HG LYS 38 -20.304 10.827 -2.204 332 1HD LYS 38 1HD LYS 38 -21.653 10.338 -0.203 333 2HD LYS 38 2HD LYS 38 -20.752 11.569 0.712 334 1HE LYS 38 1HE LYS 38 -21.488 13.324 -0.811 335 2HE LYS 38 2HE LYS 38 -22.271 12.153 -1.873 336 1HZ LYS 38 1HZ LYS 38 -23.785 13.349 -0.390 337 2HZ LYS 38 2HZ LYS 38 -23.872 11.711 -0.156 338 3HZ LYS 38 3HZ LYS 38 -23.076 12.670 0.921 339 H ASN 39 H ASN 39 -15.218 9.510 -1.376 340 HA ASN 39 HA ASN 39 -14.713 12.253 -2.413 341 1HB ASN 39 1HB ASN 39 -14.406 12.328 0.035 342 2HB ASN 39 2HB ASN 39 -13.197 11.033 -0.081 343 1HD2 ASN 39 1HD2 ASN 39 -11.869 13.009 0.967 344 2HD2 ASN 39 2HD2 ASN 39 -11.165 14.109 -0.184 345 H THR 40 H THR 40 -14.158 11.555 -4.431 346 HA THR 40 HA THR 40 -12.512 9.281 -4.974 347 HB THR 40 HB THR 40 -12.253 10.434 -7.216 348 HG1 THR 40 HG1 THR 40 -14.186 12.246 -6.122 349 1HG2 THR 40 1HG2 THR 40 -13.979 8.768 -6.698 350 2HG2 THR 40 2HG2 THR 40 -15.096 10.041 -6.165 351 3HG2 THR 40 3HG2 THR 40 -14.569 9.954 -7.859 352 H SER 41 H SER 41 -11.476 12.449 -3.821 353 HA SER 41 HA SER 41 -8.743 12.148 -4.675 354 1HB SER 41 1HB SER 41 -9.988 13.555 -2.292 355 2HB SER 41 2HB SER 41 -8.251 13.485 -2.596 356 HG SER 41 HG SER 41 -10.221 14.904 -3.908 357 H LEU 42 H LEU 42 -10.679 10.553 -2.113 358 HA LEU 42 HA LEU 42 -8.446 9.782 -0.517 359 1HB LEU 42 1HB LEU 42 -10.825 9.798 0.202 360 2HB LEU 42 2HB LEU 42 -11.140 8.367 -0.781 361 HG LEU 42 HG LEU 42 -8.823 8.272 1.153 362 1HD1 LEU 42 1HD1 LEU 42 -10.639 9.320 2.472 363 2HD1 LEU 42 2HD1 LEU 42 -11.708 7.971 2.051 364 3HD1 LEU 42 3HD1 LEU 42 -10.244 7.692 3.026 365 1HD2 LEU 42 1HD2 LEU 42 -10.949 6.221 0.388 366 2HD2 LEU 42 2HD2 LEU 42 -9.294 6.287 -0.261 367 3HD2 LEU 42 3HD2 LEU 42 -9.550 5.942 1.446 368 H ILE 43 H ILE 43 -10.189 8.160 -3.222 369 HA ILE 43 HA ILE 43 -8.508 5.877 -3.309 370 HB ILE 43 HB ILE 43 -10.607 6.991 -4.933 371 1HG1 ILE 43 1HG1 ILE 43 -10.589 4.799 -3.796 372 2HG1 ILE 43 2HG1 ILE 43 -11.085 4.716 -5.474 373 1HG2 ILE 43 1HG2 ILE 43 -9.955 6.141 -7.157 374 2HG2 ILE 43 2HG2 ILE 43 -9.051 7.572 -6.677 375 3HG2 ILE 43 3HG2 ILE 43 -8.304 5.955 -6.595 376 1HD1 ILE 43 1HD1 ILE 43 -9.644 2.801 -4.919 377 2HD1 ILE 43 2HD1 ILE 43 -8.869 3.801 -6.128 378 3HD1 ILE 43 3HD1 ILE 43 -8.335 3.886 -4.431 379 H LYS 44 H LYS 44 -8.133 9.042 -5.054 380 HA LYS 44 HA LYS 44 -5.737 8.453 -6.403 381 1HB LYS 44 1HB LYS 44 -7.012 10.330 -6.977 382 2HB LYS 44 2HB LYS 44 -7.035 10.996 -5.356 383 1HG LYS 44 1HG LYS 44 -4.448 10.667 -6.823 384 2HG LYS 44 2HG LYS 44 -5.533 11.996 -7.235 385 1HD LYS 44 1HD LYS 44 -5.122 13.208 -5.362 386 2HD LYS 44 2HD LYS 44 -5.021 11.796 -4.336 387 1HE LYS 44 1HE LYS 44 -2.814 12.162 -4.260 388 2HE LYS 44 2HE LYS 44 -2.779 11.380 -5.834 389 1HZ LYS 44 1HZ LYS 44 -2.929 13.713 -6.788 390 2HZ LYS 44 2HZ LYS 44 -2.776 14.296 -5.252 391 3HZ LYS 44 3HZ LYS 44 -1.592 13.408 -5.908 392 H LEU 45 H LEU 45 -6.149 9.547 -3.000 393 HA LEU 45 HA LEU 45 -3.413 10.069 -2.472 394 1HB LEU 45 1HB LEU 45 -5.989 9.800 -0.982 395 2HB LEU 45 2HB LEU 45 -4.467 9.811 -0.142 396 HG LEU 45 HG LEU 45 -5.387 11.991 -2.073 397 1HD1 LEU 45 1HD1 LEU 45 -5.138 11.874 0.920 398 2HD1 LEU 45 2HD1 LEU 45 -5.688 13.284 -0.031 399 3HD1 LEU 45 3HD1 LEU 45 -6.661 11.796 -0.005 400 1HD2 LEU 45 1HD2 LEU 45 -3.538 13.351 -1.040 401 2HD2 LEU 45 2HD2 LEU 45 -2.917 11.888 -0.284 402 3HD2 LEU 45 3HD2 LEU 45 -2.945 12.065 -2.063 403 H THR 46 H THR 46 -5.655 7.268 -2.419 404 HA THR 46 HA THR 46 -3.947 5.667 -0.748 405 HB THR 46 HB THR 46 -6.449 5.040 -2.388 406 HG1 THR 46 HG1 THR 46 -6.870 6.536 -0.804 407 1HG2 THR 46 1HG2 THR 46 -5.734 2.921 -1.871 408 2HG2 THR 46 2HG2 THR 46 -4.923 3.450 -0.345 409 3HG2 THR 46 3HG2 THR 46 -6.674 3.324 -0.438 410 H LYS 47 H LYS 47 -4.562 5.810 -4.363 411 HA LYS 47 HA LYS 47 -2.631 3.785 -4.968 412 1HB LYS 47 1HB LYS 47 -2.369 4.878 -7.215 413 2HB LYS 47 2HB LYS 47 -3.722 3.859 -6.787 414 1HG LYS 47 1HG LYS 47 -3.967 6.615 -6.030 415 2HG LYS 47 2HG LYS 47 -3.786 6.445 -7.775 416 1HD LYS 47 1HD LYS 47 -5.749 4.771 -6.191 417 2HD LYS 47 2HD LYS 47 -6.198 6.397 -6.725 418 1HE LYS 47 1HE LYS 47 -5.076 4.601 -8.830 419 2HE LYS 47 2HE LYS 47 -6.754 4.349 -8.336 420 1HZ LYS 47 1HZ LYS 47 -6.254 5.953 -10.248 421 2HZ LYS 47 2HZ LYS 47 -7.383 6.372 -9.178 422 3HZ LYS 47 3HZ LYS 47 -5.875 7.061 -9.119 423 H ARG 48 H ARG 48 -2.015 7.152 -4.151 424 HA ARG 48 HA ARG 48 0.640 7.107 -5.257 425 1HB ARG 48 1HB ARG 48 0.775 9.254 -4.425 426 2HB ARG 48 2HB ARG 48 -0.946 9.027 -4.176 427 1HG ARG 48 1HG ARG 48 -0.367 8.284 -1.768 428 2HG ARG 48 2HG ARG 48 1.245 8.907 -2.108 429 1HD ARG 48 1HD ARG 48 0.218 11.102 -2.621 430 2HD ARG 48 2HD ARG 48 -1.369 10.466 -2.152 431 HE ARG 48 HE ARG 48 0.808 11.364 -0.474 432 1HH1 ARG 48 2HH2 ARG 48 -1.805 8.945 -0.342 433 2HH1 ARG 48 1HH2 ARG 48 -2.204 9.293 1.308 434 1HH2 ARG 48 2HH1 ARG 48 0.285 11.784 1.701 435 2HH2 ARG 48 1HH1 ARG 48 -1.049 11.002 2.467 436 H ASP 49 H ASP 49 -0.750 6.183 -2.160 437 HA ASP 49 HA ASP 49 1.833 5.540 -0.973 438 1HB ASP 49 1HB ASP 49 -0.999 5.831 -0.081 439 2HB ASP 49 2HB ASP 49 -0.007 4.777 0.871 440 H ILE 50 H ILE 50 -0.947 3.818 -2.378 441 HA ILE 50 HA ILE 50 -0.084 1.189 -1.594 442 HB ILE 50 HB ILE 50 -1.776 2.162 -3.918 443 1HG1 ILE 50 1HG1 ILE 50 -3.083 0.093 -2.988 444 2HG1 ILE 50 2HG1 ILE 50 -1.899 0.098 -1.711 445 1HG2 ILE 50 1HG2 ILE 50 -0.521 -0.623 -3.836 446 2HG2 ILE 50 2HG2 ILE 50 -1.927 -0.206 -4.808 447 3HG2 ILE 50 3HG2 ILE 50 -0.393 0.558 -5.164 448 1HD1 ILE 50 1HD1 ILE 50 -3.744 2.405 -2.468 449 2HD1 ILE 50 2HD1 ILE 50 -3.961 1.264 -1.063 450 3HD1 ILE 50 3HD1 ILE 50 -2.612 2.368 -1.055 451 H ALA 51 H ALA 51 0.779 3.219 -4.500 452 HA ALA 51 HA ALA 51 2.389 1.050 -5.392 453 1HB ALA 51 1HB ALA 51 3.130 2.654 -7.082 454 2HB ALA 51 2HB ALA 51 1.374 2.807 -6.781 455 3HB ALA 51 3HB ALA 51 2.491 4.014 -6.104 456 H ARG 52 H ARG 52 3.094 3.653 -3.106 457 HA ARG 52 HA ARG 52 5.956 3.171 -2.994 458 1HB ARG 52 1HB ARG 52 4.679 5.264 -2.283 459 2HB ARG 52 2HB ARG 52 4.040 4.379 -0.905 460 1HG ARG 52 1HG ARG 52 7.017 4.773 -1.329 461 2HG ARG 52 2HG ARG 52 5.966 5.979 -0.564 462 1HD ARG 52 1HD ARG 52 5.223 4.039 0.998 463 2HD ARG 52 2HD ARG 52 6.698 3.239 0.462 464 HE ARG 52 HE ARG 52 8.001 5.105 1.326 465 1HH1 ARG 52 2HH2 ARG 52 4.572 5.177 2.415 466 2HH1 ARG 52 1HH2 ARG 52 4.921 5.977 3.875 467 1HH2 ARG 52 2HH1 ARG 52 8.362 6.487 3.085 468 2HH2 ARG 52 1HH1 ARG 52 7.051 6.867 4.195 469 H ILE 53 H ILE 53 3.256 2.288 -0.804 470 HA ILE 53 HA ILE 53 4.730 0.572 0.915 471 HB ILE 53 HB ILE 53 1.814 1.041 0.251 472 1HG1 ILE 53 1HG1 ILE 53 2.924 1.364 3.004 473 2HG1 ILE 53 2HG1 ILE 53 3.684 2.411 1.819 474 1HG2 ILE 53 1HG2 ILE 53 2.925 -1.045 2.081 475 2HG2 ILE 53 2HG2 ILE 53 1.333 -0.354 2.347 476 3HG2 ILE 53 3HG2 ILE 53 1.675 -1.217 0.842 477 1HD1 ILE 53 1HD1 ILE 53 0.714 2.412 1.804 478 2HD1 ILE 53 2HD1 ILE 53 1.557 3.194 3.168 479 3HD1 ILE 53 3HD1 ILE 53 1.896 3.713 1.512 480 H LYS 54 H LYS 54 2.657 -0.361 -1.845 481 HA LYS 54 HA LYS 54 3.251 -3.077 -1.404 482 1HB LYS 54 1HB LYS 54 2.012 -3.513 -3.415 483 2HB LYS 54 2HB LYS 54 1.250 -2.117 -2.740 484 1HG LYS 54 1HG LYS 54 1.480 -1.490 -4.965 485 2HG LYS 54 2HG LYS 54 3.028 -0.845 -4.369 486 1HD LYS 54 1HD LYS 54 4.270 -2.647 -5.268 487 2HD LYS 54 2HD LYS 54 2.812 -3.633 -5.533 488 1HE LYS 54 1HE LYS 54 2.020 -2.072 -7.234 489 2HE LYS 54 2HE LYS 54 3.382 -0.970 -6.927 490 1HZ LYS 54 1HZ LYS 54 3.642 -2.442 -8.859 491 2HZ LYS 54 2HZ LYS 54 4.879 -2.558 -7.798 492 3HZ LYS 54 3HZ LYS 54 3.739 -3.752 -7.858 493 H THR 55 H THR 55 5.060 -0.582 -3.142 494 HA THR 55 HA THR 55 6.929 -2.376 -4.378 495 HB THR 55 HB THR 55 6.935 0.528 -3.615 496 HG1 THR 55 HG1 THR 55 5.855 0.563 -5.308 497 1HG2 THR 55 1HG2 THR 55 9.308 -0.039 -3.682 498 2HG2 THR 55 2HG2 THR 55 9.093 -0.876 -5.236 499 3HG2 THR 55 3HG2 THR 55 8.863 0.885 -5.113 500 H ILE 56 H ILE 56 6.771 -1.007 -1.004 501 HA ILE 56 HA ILE 56 9.465 -1.630 -0.320 502 HB ILE 56 HB ILE 56 6.992 -1.551 1.357 503 1HG1 ILE 56 1HG1 ILE 56 8.167 0.521 0.303 504 2HG1 ILE 56 2HG1 ILE 56 7.577 0.527 1.932 505 1HG2 ILE 56 1HG2 ILE 56 8.384 -1.692 3.401 506 2HG2 ILE 56 2HG2 ILE 56 8.417 -3.184 2.508 507 3HG2 ILE 56 3HG2 ILE 56 9.805 -2.093 2.440 508 1HD1 ILE 56 1HD1 ILE 56 9.786 1.613 1.678 509 2HD1 ILE 56 2HD1 ILE 56 9.804 0.304 2.877 510 3HD1 ILE 56 3HD1 ILE 56 10.479 0.033 1.238 511 H LEU 57 H LEU 57 6.512 -3.605 -0.208 512 HA LEU 57 HA LEU 57 7.627 -6.017 0.824 513 1HB LEU 57 1HB LEU 57 5.303 -5.894 0.738 514 2HB LEU 57 2HB LEU 57 5.270 -5.391 -0.948 515 HG LEU 57 HG LEU 57 5.855 -7.588 -1.715 516 1HD1 LEU 57 1HD1 LEU 57 6.078 -9.510 -0.191 517 2HD1 LEU 57 2HD1 LEU 57 7.373 -8.332 0.034 518 3HD1 LEU 57 3HD1 LEU 57 6.042 -8.404 1.207 519 1HD2 LEU 57 1HD2 LEU 57 3.477 -7.104 -1.200 520 2HD2 LEU 57 2HD2 LEU 57 3.852 -8.820 -0.946 521 3HD2 LEU 57 3HD2 LEU 57 3.707 -7.738 0.456 522 H ARG 58 H ARG 58 7.175 -5.042 -2.514 523 HA ARG 58 HA ARG 58 8.569 -7.148 -3.780 524 1HB ARG 58 1HB ARG 58 7.267 -4.856 -4.620 525 2HB ARG 58 2HB ARG 58 8.917 -4.467 -5.041 526 1HG ARG 58 1HG ARG 58 7.378 -6.974 -5.818 527 2HG ARG 58 2HG ARG 58 7.711 -5.598 -6.882 528 1HD ARG 58 1HD ARG 58 10.163 -6.113 -6.657 529 2HD ARG 58 2HD ARG 58 9.766 -7.568 -5.753 530 HE ARG 58 HE ARG 58 8.587 -8.469 -7.632 531 1HH1 ARG 58 2HH2 ARG 58 10.945 -5.896 -8.457 532 2HH1 ARG 58 1HH2 ARG 58 10.823 -6.183 -10.150 533 1HH2 ARG 58 2HH1 ARG 58 8.494 -8.823 -9.903 534 2HH2 ARG 58 1HH1 ARG 58 9.543 -7.950 -10.959 535 H GLU 59 H GLU 59 9.867 -4.034 -2.683 536 HA GLU 59 HA GLU 59 12.572 -4.475 -3.470 537 1HB GLU 59 1HB GLU 59 11.705 -2.941 -0.979 538 2HB GLU 59 2HB GLU 59 13.231 -2.857 -1.833 539 1HG GLU 59 1HG GLU 59 11.374 -2.178 -3.757 540 2HG GLU 59 2HG GLU 59 10.806 -1.370 -2.293 541 H ARG 60 H ARG 60 10.810 -5.440 -0.597 542 HA ARG 60 HA ARG 60 13.144 -6.568 0.776 543 1HB ARG 60 1HB ARG 60 10.176 -7.010 1.339 544 2HB ARG 60 2HB ARG 60 11.497 -7.674 2.278 545 1HG ARG 60 1HG ARG 60 12.292 -5.175 2.520 546 2HG ARG 60 2HG ARG 60 10.671 -4.772 2.014 547 1HD ARG 60 1HD ARG 60 9.946 -4.992 4.091 548 2HD ARG 60 2HD ARG 60 10.297 -6.706 4.052 549 HE ARG 60 HE ARG 60 11.527 -4.849 5.704 550 1HH1 ARG 60 2HH2 ARG 60 12.468 -7.716 4.039 551 2HH1 ARG 60 1HH2 ARG 60 14.216 -7.445 4.097 552 1HH2 ARG 60 2HH1 ARG 60 13.855 -4.897 6.497 553 2HH2 ARG 60 1HH1 ARG 60 14.887 -6.030 5.657 554 H GLU 61 H GLU 61 10.745 -7.790 -1.375 555 HA GLU 61 HA GLU 61 11.172 -10.546 -1.053 556 1HB GLU 61 1HB GLU 61 10.307 -9.030 -3.552 557 2HB GLU 61 2HB GLU 61 10.457 -10.773 -3.507 558 1HG GLU 61 1HG GLU 61 8.789 -10.775 -1.596 559 2HG GLU 61 2HG GLU 61 8.535 -9.067 -1.912 560 H LEU 62 H LEU 62 12.944 -8.368 -3.435 561 HA LEU 62 HA LEU 62 14.767 -10.550 -3.994 562 1HB LEU 62 1HB LEU 62 15.445 -7.764 -4.708 563 2HB LEU 62 2HB LEU 62 15.596 -9.236 -5.621 564 HG LEU 62 HG LEU 62 14.094 -8.268 -6.872 565 1HD1 LEU 62 1HD1 LEU 62 11.800 -9.018 -5.151 566 2HD1 LEU 62 2HD1 LEU 62 11.990 -9.093 -6.900 567 3HD1 LEU 62 3HD1 LEU 62 12.836 -10.258 -5.882 568 1HD2 LEU 62 1HD2 LEU 62 14.008 -6.166 -6.112 569 2HD2 LEU 62 2HD2 LEU 62 12.314 -6.640 -6.096 570 3HD2 LEU 62 3HD2 LEU 62 13.235 -6.622 -4.573 571 H GLY 63 H GLY 63 14.609 -8.315 -1.414 572 1HA GLY 63 1HA GLY 63 16.123 -7.663 0.134 573 2HA GLY 63 2HA GLY 63 17.390 -8.634 -0.633 574 H ILE 64 H ILE 64 15.475 -5.894 -2.017 575 HA ILE 64 HA ILE 64 17.864 -4.402 -2.555 576 HB ILE 64 HB ILE 64 14.910 -3.781 -2.840 577 1HG1 ILE 64 1HG1 ILE 64 15.355 -5.679 -4.199 578 2HG1 ILE 64 2HG1 ILE 64 15.095 -4.269 -5.187 579 1HG2 ILE 64 1HG2 ILE 64 15.649 -2.100 -4.495 580 2HG2 ILE 64 2HG2 ILE 64 16.106 -1.776 -2.822 581 3HG2 ILE 64 3HG2 ILE 64 17.328 -2.402 -3.961 582 1HD1 ILE 64 1HD1 ILE 64 17.831 -5.469 -4.621 583 2HD1 ILE 64 2HD1 ILE 64 16.850 -5.729 -6.072 584 3HD1 ILE 64 3HD1 ILE 64 17.463 -4.105 -5.718 585 H ARG 65 H ARG 65 15.306 -4.752 -0.272 586 HA ARG 65 HA ARG 65 16.299 -2.499 1.437 587 1HB ARG 65 1HB ARG 65 13.510 -3.686 1.237 588 2HB ARG 65 2HB ARG 65 13.988 -2.600 2.535 589 1HG ARG 65 1HG ARG 65 14.196 -1.767 -0.362 590 2HG ARG 65 2HG ARG 65 12.706 -1.627 0.567 591 1HD ARG 65 1HD ARG 65 13.647 0.483 0.617 592 2HD ARG 65 2HD ARG 65 13.988 -0.193 2.217 593 HE ARG 65 HE ARG 65 16.242 -0.156 1.757 594 1HH1 ARG 65 2HH2 ARG 65 14.548 0.350 -1.387 595 2HH1 ARG 65 1HH2 ARG 65 16.044 0.619 -2.223 596 1HH2 ARG 65 2HH1 ARG 65 18.102 0.206 0.598 597 2HH2 ARG 65 1HH1 ARG 65 18.083 0.743 -1.036 598 H ARG 66 H ARG 66 17.471 -5.148 1.209 599 HA ARG 66 HA ARG 66 17.908 -7.084 2.166 600 1HB ARG 66 1HB ARG 66 19.301 -5.251 3.164 601 2HB ARG 66 2HB ARG 66 18.213 -5.234 4.571 602 1HG ARG 66 1HG ARG 66 18.700 -7.573 5.028 603 2HG ARG 66 2HG ARG 66 19.654 -7.722 3.537 604 1HD ARG 66 1HD ARG 66 20.323 -5.814 5.813 605 2HD ARG 66 2HD ARG 66 20.979 -7.449 5.682 606 HE ARG 66 HE ARG 66 21.386 -5.987 3.246 607 1HH1 ARG 66 2HH2 ARG 66 22.707 -6.391 6.533 608 2HH1 ARG 66 1HH2 ARG 66 24.301 -5.871 6.053 609 1HH2 ARG 66 2HH1 ARG 66 23.452 -5.447 2.662 610 2HH2 ARG 66 1HH1 ARG 66 24.750 -5.373 3.848 Start of MODEL 4 1 1H MET 1 1H MET 1 13.855 7.840 6.371 2 HA MET 1 HA MET 1 11.662 9.790 6.340 3 1HB MET 1 1HB MET 1 14.099 10.714 6.105 4 2HB MET 1 2HB MET 1 14.008 10.087 4.456 5 1HG MET 1 1HG MET 1 13.277 12.331 4.345 6 2HG MET 1 2HG MET 1 11.806 11.381 4.213 7 1HE MET 1 1HE MET 1 9.647 12.645 7.026 8 2HE MET 1 2HE MET 1 9.766 12.327 5.292 9 3HE MET 1 3HE MET 1 10.102 11.029 6.468 10 H LYS 2 H LYS 2 13.658 7.926 3.927 11 HA LYS 2 HA LYS 2 11.678 7.912 1.933 12 1HB LYS 2 1HB LYS 2 14.078 7.545 1.618 13 2HB LYS 2 2HB LYS 2 13.995 5.983 2.423 14 1HG LYS 2 1HG LYS 2 12.703 5.023 0.646 15 2HG LYS 2 2HG LYS 2 12.370 6.610 -0.073 16 1HD LYS 2 1HD LYS 2 14.689 6.901 -0.724 17 2HD LYS 2 2HD LYS 2 15.174 5.437 0.162 18 1HE LYS 2 1HE LYS 2 13.790 4.061 -1.334 19 2HE LYS 2 2HE LYS 2 13.258 5.494 -2.214 20 1HZ LYS 2 1HZ LYS 2 16.135 4.804 -2.029 21 2HZ LYS 2 2HZ LYS 2 15.149 4.154 -3.179 22 3HZ LYS 2 3HZ LYS 2 15.398 5.755 -3.138 23 H ALA 3 H ALA 3 12.287 5.549 4.520 24 HA ALA 3 HA ALA 3 9.429 4.844 4.347 25 1HB ALA 3 1HB ALA 3 10.539 2.785 3.758 26 2HB ALA 3 2HB ALA 3 11.713 2.969 5.080 27 3HB ALA 3 3HB ALA 3 10.004 2.673 5.448 28 H SER 4 H SER 4 12.208 4.645 6.355 29 HA SER 4 HA SER 4 12.590 3.890 8.255 30 1HB SER 4 1HB SER 4 10.724 6.044 9.323 31 2HB SER 4 2HB SER 4 11.468 4.791 10.322 32 HG SER 4 HG SER 4 13.211 5.857 10.375 33 H GLU 5 H GLU 5 9.311 4.667 8.144 34 HA GLU 5 HA GLU 5 8.580 2.647 10.089 35 1HB GLU 5 1HB GLU 5 6.295 3.330 9.874 36 2HB GLU 5 2HB GLU 5 7.387 4.717 9.893 37 1HG GLU 5 1HG GLU 5 7.168 4.581 7.260 38 2HG GLU 5 2HG GLU 5 5.739 3.606 7.613 39 H LEU 6 H LEU 6 8.074 2.645 6.597 40 HA LEU 6 HA LEU 6 6.975 -0.085 6.506 41 1HB LEU 6 1HB LEU 6 7.935 2.125 4.626 42 2HB LEU 6 2HB LEU 6 7.883 0.530 3.975 43 HG LEU 6 HG LEU 6 5.493 0.364 4.170 44 1HD1 LEU 6 1HD1 LEU 6 5.093 1.585 6.306 45 2HD1 LEU 6 2HD1 LEU 6 5.450 3.125 5.458 46 3HD1 LEU 6 3HD1 LEU 6 4.059 2.135 4.981 47 1HD2 LEU 6 1HD2 LEU 6 6.772 2.813 2.948 48 2HD2 LEU 6 2HD2 LEU 6 5.900 1.478 2.197 49 3HD2 LEU 6 3HD2 LEU 6 5.026 2.787 2.998 50 H ARG 7 H ARG 7 10.263 0.971 6.979 51 HA ARG 7 HA ARG 7 11.103 -1.703 6.181 52 1HB ARG 7 1HB ARG 7 12.222 0.413 5.298 53 2HB ARG 7 2HB ARG 7 12.736 0.784 6.951 54 1HG ARG 7 1HG ARG 7 13.249 -1.967 6.094 55 2HG ARG 7 2HG ARG 7 14.032 -0.754 5.060 56 1HD ARG 7 1HD ARG 7 15.176 0.199 7.033 57 2HD ARG 7 2HD ARG 7 14.322 -0.950 8.082 58 HE ARG 7 HE ARG 7 15.885 -2.131 5.913 59 1HH1 ARG 7 2HH2 ARG 7 15.619 -1.605 9.429 60 2HH1 ARG 7 1HH2 ARG 7 16.993 -2.580 9.780 61 1HH2 ARG 7 2HH1 ARG 7 17.717 -3.417 6.400 62 2HH2 ARG 7 1HH1 ARG 7 18.130 -3.688 8.053 63 H ASN 8 H ASN 8 9.898 0.107 8.835 64 HA ASN 8 HA ASN 8 11.720 -0.825 10.860 65 1HB ASN 8 1HB ASN 8 9.047 0.660 10.976 66 2HB ASN 8 2HB ASN 8 9.898 0.101 12.339 67 1HD2 ASN 8 1HD2 ASN 8 9.405 2.610 12.593 68 2HD2 ASN 8 2HD2 ASN 8 10.767 3.630 12.226 69 H TYR 9 H TYR 9 8.366 -1.924 9.626 70 HA TYR 9 HA TYR 9 7.913 -3.320 11.853 71 1HB TYR 9 1HB TYR 9 6.687 -3.484 9.254 72 2HB TYR 9 2HB TYR 9 6.236 -4.511 10.538 73 HD1 TYR 9 HD1 TYR 9 5.160 -3.542 12.589 74 HD2 TYR 9 HD2 TYR 9 6.239 -1.132 9.187 75 HE1 TYR 9 HE1 TYR 9 3.661 -1.746 13.392 76 HE2 TYR 9 HE2 TYR 9 4.778 0.690 9.985 77 HH TYR 9 HH TYR 9 2.750 0.297 12.925 78 H THR 10 H THR 10 7.524 -5.999 11.670 79 HA THR 10 HA THR 10 10.042 -7.218 10.715 80 HB THR 10 HB THR 10 9.001 -9.276 11.457 81 HG1 THR 10 HG1 THR 10 6.990 -9.048 12.708 82 1HG2 THR 10 1HG2 THR 10 10.217 -7.819 13.149 83 2HG2 THR 10 2HG2 THR 10 8.639 -7.136 13.627 84 3HG2 THR 10 3HG2 THR 10 8.985 -8.866 13.882 85 H ASP 11 H ASP 11 10.013 -8.312 8.607 86 HA ASP 11 HA ASP 11 8.577 -7.766 6.546 87 1HB ASP 11 1HB ASP 11 9.848 -10.379 7.329 88 2HB ASP 11 2HB ASP 11 9.010 -10.198 5.790 89 H GLU 12 H GLU 12 7.428 -10.005 8.980 90 HA GLU 12 HA GLU 12 5.124 -10.835 7.605 91 1HB GLU 12 1HB GLU 12 6.285 -11.925 9.538 92 2HB GLU 12 2HB GLU 12 5.641 -10.690 10.611 93 1HG GLU 12 1HG GLU 12 3.720 -11.867 10.820 94 2HG GLU 12 2HG GLU 12 3.431 -11.772 9.072 95 H GLU 13 H GLU 13 5.636 -8.294 10.131 96 HA GLU 13 HA GLU 13 2.924 -7.325 10.179 97 1HB GLU 13 1HB GLU 13 5.675 -6.449 11.094 98 2HB GLU 13 2HB GLU 13 4.361 -5.296 11.196 99 1HG GLU 13 1HG GLU 13 4.455 -8.122 12.389 100 2HG GLU 13 2HG GLU 13 4.789 -6.648 13.267 101 H LEU 14 H LEU 14 5.793 -6.666 8.239 102 HA LEU 14 HA LEU 14 4.767 -4.297 6.926 103 1HB LEU 14 1HB LEU 14 6.845 -6.341 5.981 104 2HB LEU 14 2HB LEU 14 6.282 -5.031 4.995 105 HG LEU 14 HG LEU 14 8.321 -4.315 5.652 106 1HD1 LEU 14 1HD1 LEU 14 6.232 -3.004 7.412 107 2HD1 LEU 14 2HD1 LEU 14 7.882 -2.648 7.826 108 3HD1 LEU 14 3HD1 LEU 14 7.172 -2.318 6.164 109 1HD2 LEU 14 1HD2 LEU 14 9.392 -4.298 7.738 110 2HD2 LEU 14 2HD2 LEU 14 7.996 -5.148 8.424 111 3HD2 LEU 14 3HD2 LEU 14 9.012 -5.902 7.177 112 H LYS 15 H LYS 15 4.811 -7.777 5.785 113 HA LYS 15 HA LYS 15 3.256 -7.115 3.527 114 1HB LYS 15 1HB LYS 15 2.605 -9.572 3.521 115 2HB LYS 15 2HB LYS 15 4.284 -9.109 3.250 116 1HG LYS 15 1HG LYS 15 4.951 -10.546 4.748 117 2HG LYS 15 2HG LYS 15 4.115 -9.626 5.977 118 1HD LYS 15 1HD LYS 15 2.897 -11.931 4.411 119 2HD LYS 15 2HD LYS 15 3.634 -12.043 6.010 120 1HE LYS 15 1HE LYS 15 1.981 -10.281 6.797 121 2HE LYS 15 2HE LYS 15 1.125 -10.530 5.266 122 1HZ LYS 15 1HZ LYS 15 0.115 -11.876 6.817 123 2HZ LYS 15 2HZ LYS 15 1.004 -12.919 5.939 124 3HZ LYS 15 3HZ LYS 15 1.495 -12.474 7.462 125 H ASN 16 H ASN 16 2.204 -8.107 6.804 126 HA ASN 16 HA ASN 16 -0.588 -8.254 6.050 127 1HB ASN 16 1HB ASN 16 0.530 -9.372 8.016 128 2HB ASN 16 2HB ASN 16 0.849 -7.786 8.707 129 1HD2 ASN 16 1HD2 ASN 16 -0.733 -7.062 10.170 130 2HD2 ASN 16 2HD2 ASN 16 -2.435 -7.523 10.067 131 H LEU 17 H LEU 17 1.306 -5.545 6.179 132 HA LEU 17 HA LEU 17 -1.012 -3.745 6.835 133 1HB LEU 17 1HB LEU 17 1.106 -3.674 8.216 134 2HB LEU 17 2HB LEU 17 1.978 -3.107 6.818 135 HG LEU 17 HG LEU 17 -0.511 -1.717 7.791 136 1HD1 LEU 17 1HD1 LEU 17 0.861 -0.260 9.251 137 2HD1 LEU 17 2HD1 LEU 17 0.877 -1.943 9.779 138 3HD1 LEU 17 3HD1 LEU 17 2.279 -1.282 8.928 139 1HD2 LEU 17 1HD2 LEU 17 1.987 -0.690 6.341 140 2HD2 LEU 17 2HD2 LEU 17 0.361 -0.867 5.652 141 3HD2 LEU 17 3HD2 LEU 17 0.652 0.330 6.898 142 H LEU 18 H LEU 18 1.697 -4.369 4.707 143 HA LEU 18 HA LEU 18 0.904 -2.344 2.784 144 1HB LEU 18 1HB LEU 18 2.619 -4.650 1.882 145 2HB LEU 18 2HB LEU 18 2.707 -2.987 1.442 146 HG LEU 18 HG LEU 18 4.059 -4.525 3.539 147 1HD1 LEU 18 1HD1 LEU 18 5.187 -2.095 2.260 148 2HD1 LEU 18 2HD1 LEU 18 5.957 -3.595 2.826 149 3HD1 LEU 18 3HD1 LEU 18 4.989 -3.591 1.342 150 1HD2 LEU 18 1HD2 LEU 18 3.037 -2.784 5.036 151 2HD2 LEU 18 2HD2 LEU 18 4.777 -2.681 4.937 152 3HD2 LEU 18 3HD2 LEU 18 3.764 -1.519 4.071 153 H GLU 19 H GLU 19 0.323 -5.814 3.101 154 HA GLU 19 HA GLU 19 -1.024 -6.217 0.676 155 1HB GLU 19 1HB GLU 19 -1.920 -8.145 1.531 156 2HB GLU 19 2HB GLU 19 -0.382 -7.975 2.318 157 1HG GLU 19 1HG GLU 19 -1.745 -8.605 4.090 158 2HG GLU 19 2HG GLU 19 -1.702 -6.843 4.273 159 H GLU 20 H GLU 20 -2.057 -4.663 3.718 160 HA GLU 20 HA GLU 20 -4.793 -4.585 3.052 161 1HB GLU 20 1HB GLU 20 -3.719 -4.225 5.352 162 2HB GLU 20 2HB GLU 20 -3.528 -2.542 4.817 163 1HG GLU 20 1HG GLU 20 -6.061 -2.620 4.243 164 2HG GLU 20 2HG GLU 20 -6.113 -4.140 5.132 165 H LYS 21 H LYS 21 -2.206 -2.089 2.529 166 HA LYS 21 HA LYS 21 -3.807 -0.201 1.249 167 1HB LYS 21 1HB LYS 21 -0.852 -0.889 0.816 168 2HB LYS 21 2HB LYS 21 -1.594 0.656 0.483 169 1HG LYS 21 1HG LYS 21 -1.193 -0.602 3.206 170 2HG LYS 21 2HG LYS 21 -0.330 0.746 2.534 171 1HD LYS 21 1HD LYS 21 -3.307 0.948 3.000 172 2HD LYS 21 2HD LYS 21 -2.155 1.146 4.310 173 1HE LYS 21 1HE LYS 21 -1.047 2.968 3.043 174 2HE LYS 21 2HE LYS 21 -2.291 2.851 1.777 175 1HZ LYS 21 1HZ LYS 21 -2.704 3.437 4.651 176 2HZ LYS 21 2HZ LYS 21 -2.755 4.548 3.474 177 3HZ LYS 21 3HZ LYS 21 -3.912 3.364 3.519 178 H LYS 22 H LYS 22 -1.658 -2.734 -0.322 179 HA LYS 22 HA LYS 22 -2.586 -2.181 -2.869 180 1HB LYS 22 1HB LYS 22 -2.071 -4.505 -3.577 181 2HB LYS 22 2HB LYS 22 -0.795 -3.517 -2.908 182 1HG LYS 22 1HG LYS 22 -0.225 -5.157 -1.594 183 2HG LYS 22 2HG LYS 22 -1.691 -4.875 -0.699 184 1HD LYS 22 1HD LYS 22 -1.489 -6.826 -3.014 185 2HD LYS 22 2HD LYS 22 -1.129 -7.258 -1.353 186 1HE LYS 22 1HE LYS 22 -3.410 -6.898 -0.639 187 2HE LYS 22 2HE LYS 22 -3.857 -6.280 -2.237 188 1HZ LYS 22 1HZ LYS 22 -2.892 -9.038 -1.733 189 2HZ LYS 22 2HZ LYS 22 -4.438 -8.654 -1.923 190 3HZ LYS 22 3HZ LYS 22 -3.402 -8.409 -3.173 191 H ARG 23 H ARG 23 -4.310 -4.295 -0.438 192 HA ARG 23 HA ARG 23 -6.299 -5.144 -2.396 193 1HB ARG 23 1HB ARG 23 -7.515 -6.134 -0.608 194 2HB ARG 23 2HB ARG 23 -5.805 -6.484 -0.331 195 1HG ARG 23 1HG ARG 23 -5.780 -4.620 1.257 196 2HG ARG 23 2HG ARG 23 -7.530 -4.436 1.151 197 1HD ARG 23 1HD ARG 23 -5.891 -6.734 2.234 198 2HD ARG 23 2HD ARG 23 -6.908 -5.637 3.159 199 HE ARG 23 HE ARG 23 -8.883 -6.575 2.047 200 1HH1 ARG 23 2HH2 ARG 23 -5.967 -8.549 2.532 201 2HH1 ARG 23 1HH2 ARG 23 -6.843 -10.037 2.510 202 1HH2 ARG 23 2HH1 ARG 23 -9.963 -8.435 1.964 203 2HH2 ARG 23 1HH1 ARG 23 -9.239 -10.011 2.119 204 H GLN 24 H GLN 24 -6.364 -2.662 0.246 205 HA GLN 24 HA GLN 24 -8.952 -1.831 0.055 206 1HB GLN 24 1HB GLN 24 -6.340 -0.433 0.697 207 2HB GLN 24 2HB GLN 24 -7.711 0.543 0.315 208 1HG GLN 24 1HG GLN 24 -8.800 -1.193 2.157 209 2HG GLN 24 2HG GLN 24 -7.152 -0.948 2.757 210 1HE2 GLN 24 1HE2 GLN 24 -9.384 -0.165 4.211 211 2HE2 GLN 24 2HE2 GLN 24 -9.578 1.572 4.241 212 H LEU 25 H LEU 25 -6.245 -0.912 -2.044 213 HA LEU 25 HA LEU 25 -7.605 1.190 -3.380 214 1HB LEU 25 1HB LEU 25 -5.342 0.672 -3.152 215 2HB LEU 25 2HB LEU 25 -5.322 -0.671 -4.252 216 HG LEU 25 HG LEU 25 -4.386 1.607 -5.077 217 1HD1 LEU 25 1HD1 LEU 25 -5.160 1.249 -7.372 218 2HD1 LEU 25 2HD1 LEU 25 -4.828 -0.300 -6.590 219 3HD1 LEU 25 3HD1 LEU 25 -6.500 0.245 -6.804 220 1HD2 LEU 25 1HD2 LEU 25 -6.354 2.930 -4.203 221 2HD2 LEU 25 2HD2 LEU 25 -5.969 3.231 -5.885 222 3HD2 LEU 25 3HD2 LEU 25 -7.318 2.189 -5.518 223 H MET 26 H MET 26 -7.049 -2.151 -4.264 224 HA MET 26 HA MET 26 -8.629 -2.083 -6.658 225 1HB MET 26 1HB MET 26 -7.803 -4.403 -4.869 226 2HB MET 26 2HB MET 26 -8.391 -4.566 -6.532 227 1HG MET 26 1HG MET 26 -6.422 -3.275 -7.336 228 2HG MET 26 2HG MET 26 -5.826 -3.140 -5.693 229 1HE MET 26 1HE MET 26 -3.086 -5.406 -7.104 230 2HE MET 26 2HE MET 26 -3.862 -3.976 -7.815 231 3HE MET 26 3HE MET 26 -3.477 -4.004 -6.078 232 H GLU 27 H GLU 27 -9.475 -1.769 -3.432 233 HA GLU 27 HA GLU 27 -12.202 -3.015 -3.917 234 1HB GLU 27 1HB GLU 27 -11.790 -3.956 -1.954 235 2HB GLU 27 2HB GLU 27 -10.408 -2.920 -1.605 236 1HG GLU 27 1HG GLU 27 -11.852 -1.146 -0.846 237 2HG GLU 27 2HG GLU 27 -13.314 -2.122 -1.155 238 H LEU 28 H LEU 28 -10.628 0.054 -2.978 239 HA LEU 28 HA LEU 28 -13.065 1.513 -2.739 240 1HB LEU 28 1HB LEU 28 -10.146 2.153 -3.086 241 2HB LEU 28 2HB LEU 28 -11.307 3.418 -3.366 242 HG LEU 28 HG LEU 28 -12.031 3.576 -1.205 243 1HD1 LEU 28 1HD1 LEU 28 -12.589 1.251 -0.614 244 2HD1 LEU 28 2HD1 LEU 28 -10.861 0.867 -0.459 245 3HD1 LEU 28 3HD1 LEU 28 -11.618 2.011 0.635 246 1HD2 LEU 28 1HD2 LEU 28 -10.040 3.788 0.165 247 2HD2 LEU 28 2HD2 LEU 28 -9.170 2.608 -0.826 248 3HD2 LEU 28 3HD2 LEU 28 -9.598 4.210 -1.500 249 H ARG 29 H ARG 29 -10.999 0.785 -5.529 250 HA ARG 29 HA ARG 29 -12.585 2.227 -7.439 251 1HB ARG 29 1HB ARG 29 -11.672 0.823 -9.136 252 2HB ARG 29 2HB ARG 29 -10.398 1.273 -7.998 253 1HG ARG 29 1HG ARG 29 -10.610 -0.953 -6.913 254 2HG ARG 29 2HG ARG 29 -11.835 -1.427 -8.099 255 1HD ARG 29 1HD ARG 29 -8.922 -0.785 -8.638 256 2HD ARG 29 2HD ARG 29 -9.697 -2.372 -8.701 257 HE ARG 29 HE ARG 29 -10.806 -1.839 -10.687 258 1HH1 ARG 29 2HH2 ARG 29 -8.926 0.903 -9.577 259 2HH1 ARG 29 1HH2 ARG 29 -9.432 1.889 -10.897 260 1HH2 ARG 29 2HH1 ARG 29 -10.738 -0.743 -12.821 261 2HH2 ARG 29 1HH1 ARG 29 -9.811 0.730 -12.914 262 H PHE 30 H PHE 30 -13.150 -0.858 -5.816 263 HA PHE 30 HA PHE 30 -15.372 -1.667 -7.462 264 1HB PHE 30 1HB PHE 30 -14.299 -3.486 -6.454 265 2HB PHE 30 2HB PHE 30 -13.957 -2.666 -5.032 266 HD1 PHE 30 HD1 PHE 30 -15.466 -2.438 -3.139 267 HD2 PHE 30 HD2 PHE 30 -16.576 -4.711 -6.647 268 HE1 PHE 30 HE1 PHE 30 -17.206 -3.590 -1.867 269 HE2 PHE 30 HE2 PHE 30 -18.297 -5.877 -5.349 270 HZ PHE 30 HZ PHE 30 -18.621 -5.344 -2.942 271 H GLN 31 H GLN 31 -15.005 0.449 -4.466 272 HA GLN 31 HA GLN 31 -17.780 0.321 -3.802 273 1HB GLN 31 1HB GLN 31 -15.443 2.203 -3.127 274 2HB GLN 31 2HB GLN 31 -17.066 2.449 -2.560 275 1HG GLN 31 1HG GLN 31 -17.023 0.186 -1.483 276 2HG GLN 31 2HG GLN 31 -15.304 0.064 -1.902 277 1HE2 GLN 31 1HE2 GLN 31 -15.338 -0.154 0.600 278 2HE2 GLN 31 2HE2 GLN 31 -15.153 1.358 1.509 279 H LEU 32 H LEU 32 -15.556 2.375 -5.620 280 HA LEU 32 HA LEU 32 -17.396 4.457 -6.236 281 1HB LEU 32 1HB LEU 32 -14.937 4.533 -6.469 282 2HB LEU 32 2HB LEU 32 -14.955 3.374 -7.716 283 HG LEU 32 HG LEU 32 -14.631 5.508 -8.589 284 1HD1 LEU 32 1HD1 LEU 32 -16.140 4.125 -10.027 285 2HD1 LEU 32 2HD1 LEU 32 -17.483 5.154 -9.467 286 3HD1 LEU 32 3HD1 LEU 32 -16.136 5.878 -10.320 287 1HD2 LEU 32 1HD2 LEU 32 -17.224 6.383 -7.201 288 2HD2 LEU 32 2HD2 LEU 32 -15.575 6.881 -6.776 289 3HD2 LEU 32 3HD2 LEU 32 -16.280 7.422 -8.302 290 H ALA 33 H ALA 33 -16.417 1.674 -8.137 291 HA ALA 33 HA ALA 33 -18.294 1.945 -10.258 292 1HB ALA 33 1HB ALA 33 -16.920 -0.545 -9.171 293 2HB ALA 33 2HB ALA 33 -17.725 -0.426 -10.748 294 3HB ALA 33 3HB ALA 33 -16.281 0.547 -10.423 295 H MET 34 H MET 34 -18.881 0.885 -6.953 296 HA MET 34 HA MET 34 -21.449 -0.246 -7.663 297 1HB MET 34 1HB MET 34 -19.805 0.080 -5.131 298 2HB MET 34 2HB MET 34 -21.517 -0.251 -5.052 299 1HG MET 34 1HG MET 34 -20.288 -2.060 -6.981 300 2HG MET 34 2HG MET 34 -19.361 -2.076 -5.486 301 1HE MET 34 1HE MET 34 -23.835 -3.246 -5.888 302 2HE MET 34 2HE MET 34 -23.289 -1.582 -6.150 303 3HE MET 34 3HE MET 34 -22.758 -2.876 -7.253 304 H GLY 35 H GLY 35 -20.017 2.623 -6.204 305 1HA GLY 35 1HA GLY 35 -20.914 4.718 -6.877 306 2HA GLY 35 2HA GLY 35 -22.552 4.142 -6.471 307 H GLN 36 H GLN 36 -19.673 3.518 -4.452 308 HA GLN 36 HA GLN 36 -21.114 4.849 -2.209 309 1HB GLN 36 1HB GLN 36 -19.113 2.584 -2.008 310 2HB GLN 36 2HB GLN 36 -20.362 3.045 -0.866 311 1HG GLN 36 1HG GLN 36 -20.891 1.911 -3.627 312 2HG GLN 36 2HG GLN 36 -20.728 0.914 -2.184 313 1HE2 GLN 36 1HE2 GLN 36 -22.800 0.220 -1.587 314 2HE2 GLN 36 2HE2 GLN 36 -24.151 1.323 -1.350 315 H LEU 37 H LEU 37 -18.094 4.616 -3.834 316 HA LEU 37 HA LEU 37 -16.215 5.502 -2.022 317 1HB LEU 37 1HB LEU 37 -16.030 4.679 -4.358 318 2HB LEU 37 2HB LEU 37 -16.391 6.302 -4.903 319 HG LEU 37 HG LEU 37 -14.070 5.876 -5.048 320 1HD1 LEU 37 1HD1 LEU 37 -14.602 8.146 -4.205 321 2HD1 LEU 37 2HD1 LEU 37 -14.212 7.586 -2.564 322 3HD1 LEU 37 3HD1 LEU 37 -12.971 7.572 -3.817 323 1HD2 LEU 37 1HD2 LEU 37 -12.678 5.115 -3.222 324 2HD2 LEU 37 2HD2 LEU 37 -14.069 5.044 -2.133 325 3HD2 LEU 37 3HD2 LEU 37 -14.012 3.984 -3.555 326 H LYS 38 H LYS 38 -16.496 7.167 -0.614 327 HA LYS 38 HA LYS 38 -17.453 9.796 -1.030 328 1HB LYS 38 1HB LYS 38 -15.840 10.290 0.935 329 2HB LYS 38 2HB LYS 38 -17.194 9.239 1.208 330 1HG LYS 38 1HG LYS 38 -15.857 7.263 1.173 331 2HG LYS 38 2HG LYS 38 -14.480 8.107 0.463 332 1HD LYS 38 1HD LYS 38 -14.178 9.371 2.575 333 2HD LYS 38 2HD LYS 38 -15.510 8.450 3.308 334 1HE LYS 38 1HE LYS 38 -14.337 6.365 3.072 335 2HE LYS 38 2HE LYS 38 -13.186 7.041 1.929 336 1HZ LYS 38 1HZ LYS 38 -12.133 6.765 3.967 337 2HZ LYS 38 2HZ LYS 38 -12.291 8.388 3.757 338 3HZ LYS 38 3HZ LYS 38 -13.283 7.580 4.820 339 H ASN 39 H ASN 39 -16.696 10.400 -3.078 340 HA ASN 39 HA ASN 39 -15.585 11.758 -4.476 341 1HB ASN 39 1HB ASN 39 -13.730 12.525 -2.212 342 2HB ASN 39 2HB ASN 39 -14.008 13.413 -3.699 343 1HD2 ASN 39 1HD2 ASN 39 -16.046 14.688 -3.918 344 2HD2 ASN 39 2HD2 ASN 39 -16.872 15.081 -2.427 345 H THR 40 H THR 40 -14.243 10.995 -6.149 346 HA THR 40 HA THR 40 -12.491 8.928 -5.679 347 HB THR 40 HB THR 40 -12.154 10.641 -8.110 348 HG1 THR 40 HG1 THR 40 -14.185 10.205 -8.817 349 1HG2 THR 40 1HG2 THR 40 -12.371 8.384 -9.213 350 2HG2 THR 40 2HG2 THR 40 -11.028 8.452 -8.057 351 3HG2 THR 40 3HG2 THR 40 -12.553 7.657 -7.609 352 H SER 41 H SER 41 -11.742 12.205 -4.934 353 HA SER 41 HA SER 41 -8.932 12.311 -5.055 354 1HB SER 41 1HB SER 41 -10.759 13.080 -2.736 355 2HB SER 41 2HB SER 41 -9.132 13.698 -3.067 356 HG SER 41 HG SER 41 -10.739 15.114 -3.739 357 H LEU 42 H LEU 42 -11.128 10.508 -2.858 358 HA LEU 42 HA LEU 42 -9.217 9.662 -0.958 359 1HB LEU 42 1HB LEU 42 -11.654 9.674 -0.731 360 2HB LEU 42 2HB LEU 42 -11.822 8.441 -1.942 361 HG LEU 42 HG LEU 42 -11.738 8.154 0.816 362 1HD1 LEU 42 1HD1 LEU 42 -12.907 6.707 -0.736 363 2HD1 LEU 42 2HD1 LEU 42 -11.368 6.066 -1.356 364 3HD1 LEU 42 3HD1 LEU 42 -11.885 5.726 0.313 365 1HD2 LEU 42 1HD2 LEU 42 -9.146 8.159 0.678 366 2HD2 LEU 42 2HD2 LEU 42 -9.948 6.838 1.525 367 3HD2 LEU 42 3HD2 LEU 42 -9.339 6.577 -0.110 368 H ILE 43 H ILE 43 -10.415 8.111 -3.973 369 HA ILE 43 HA ILE 43 -8.663 5.866 -3.881 370 HB ILE 43 HB ILE 43 -10.399 7.124 -5.915 371 1HG1 ILE 43 1HG1 ILE 43 -10.881 5.061 -4.636 372 2HG1 ILE 43 2HG1 ILE 43 -11.054 4.861 -6.361 373 1HG2 ILE 43 1HG2 ILE 43 -7.850 5.790 -6.861 374 2HG2 ILE 43 2HG2 ILE 43 -9.329 5.932 -7.859 375 3HG2 ILE 43 3HG2 ILE 43 -8.484 7.378 -7.300 376 1HD1 ILE 43 1HD1 ILE 43 -8.857 3.695 -6.499 377 2HD1 ILE 43 2HD1 ILE 43 -8.709 3.845 -4.725 378 3HD1 ILE 43 3HD1 ILE 43 -9.975 2.863 -5.455 379 H LYS 44 H LYS 44 -8.153 9.122 -5.424 380 HA LYS 44 HA LYS 44 -5.629 8.582 -6.467 381 1HB LYS 44 1HB LYS 44 -7.060 10.449 -7.039 382 2HB LYS 44 2HB LYS 44 -6.896 11.161 -5.442 383 1HG LYS 44 1HG LYS 44 -4.498 10.710 -7.239 384 2HG LYS 44 2HG LYS 44 -5.586 12.093 -7.380 385 1HD LYS 44 1HD LYS 44 -4.427 13.227 -5.933 386 2HD LYS 44 2HD LYS 44 -4.957 12.131 -4.666 387 1HE LYS 44 1HE LYS 44 -2.911 11.150 -4.482 388 2HE LYS 44 2HE LYS 44 -2.696 11.030 -6.233 389 1HZ LYS 44 1HZ LYS 44 -2.391 13.611 -4.819 390 2HZ LYS 44 2HZ LYS 44 -1.119 12.601 -5.031 391 3HZ LYS 44 3HZ LYS 44 -1.893 13.191 -6.342 392 H LEU 45 H LEU 45 -6.441 9.697 -3.153 393 HA LEU 45 HA LEU 45 -3.770 10.258 -2.275 394 1HB LEU 45 1HB LEU 45 -6.534 9.962 -1.097 395 2HB LEU 45 2HB LEU 45 -5.107 9.993 -0.115 396 HG LEU 45 HG LEU 45 -6.151 12.217 -1.886 397 1HD1 LEU 45 1HD1 LEU 45 -5.428 11.989 1.049 398 2HD1 LEU 45 2HD1 LEU 45 -6.218 13.388 0.263 399 3HD1 LEU 45 3HD1 LEU 45 -7.068 11.833 0.373 400 1HD2 LEU 45 1HD2 LEU 45 -3.728 12.386 -2.209 401 2HD2 LEU 45 2HD2 LEU 45 -4.224 13.608 -1.062 402 3HD2 LEU 45 3HD2 LEU 45 -3.437 12.133 -0.464 403 H THR 46 H THR 46 -6.015 7.461 -2.407 404 HA THR 46 HA THR 46 -4.369 5.909 -0.567 405 HB THR 46 HB THR 46 -6.785 5.292 -2.336 406 HG1 THR 46 HG1 THR 46 -7.304 6.683 -0.732 407 1HG2 THR 46 1HG2 THR 46 -5.386 3.639 -0.226 408 2HG2 THR 46 2HG2 THR 46 -7.096 3.439 -0.599 409 3HG2 THR 46 3HG2 THR 46 -5.914 3.177 -1.884 410 H LYS 47 H LYS 47 -4.810 6.112 -4.166 411 HA LYS 47 HA LYS 47 -2.993 4.120 -4.939 412 1HB LYS 47 1HB LYS 47 -3.369 6.937 -6.148 413 2HB LYS 47 2HB LYS 47 -2.517 5.653 -6.951 414 1HG LYS 47 1HG LYS 47 -5.409 5.293 -6.198 415 2HG LYS 47 2HG LYS 47 -4.978 6.262 -7.588 416 1HD LYS 47 1HD LYS 47 -3.853 3.456 -7.227 417 2HD LYS 47 2HD LYS 47 -5.467 3.728 -7.931 418 1HE LYS 47 1HE LYS 47 -4.566 5.308 -9.598 419 2HE LYS 47 2HE LYS 47 -2.919 4.954 -9.060 420 1HZ LYS 47 1HZ LYS 47 -3.688 3.708 -11.045 421 2HZ LYS 47 2HZ LYS 47 -3.187 2.693 -9.834 422 3HZ LYS 47 3HZ LYS 47 -4.794 2.942 -10.140 423 H ARG 48 H ARG 48 -2.218 7.534 -4.119 424 HA ARG 48 HA ARG 48 0.503 7.418 -4.819 425 1HB ARG 48 1HB ARG 48 0.642 9.520 -3.965 426 2HB ARG 48 2HB ARG 48 -1.117 9.338 -3.960 427 1HG ARG 48 1HG ARG 48 -0.856 8.557 -1.514 428 2HG ARG 48 2HG ARG 48 0.791 9.161 -1.615 429 1HD ARG 48 1HD ARG 48 -0.103 11.435 -2.073 430 2HD ARG 48 2HD ARG 48 -1.749 10.783 -2.094 431 HE ARG 48 HE ARG 48 -1.783 10.641 0.183 432 1HH1 ARG 48 2HH2 ARG 48 1.594 11.207 -0.733 433 2HH1 ARG 48 1HH2 ARG 48 2.145 11.406 0.891 434 1HH2 ARG 48 2HH1 ARG 48 -1.111 10.993 2.289 435 2HH2 ARG 48 1HH1 ARG 48 0.551 11.121 2.702 436 H ASP 49 H ASP 49 -1.074 6.368 -1.819 437 HA ASP 49 HA ASP 49 1.494 5.682 -0.592 438 1HB ASP 49 1HB ASP 49 -1.394 5.912 0.166 439 2HB ASP 49 2HB ASP 49 -0.495 4.717 1.044 440 H ILE 50 H ILE 50 -1.192 4.084 -2.299 441 HA ILE 50 HA ILE 50 -0.349 1.441 -1.567 442 HB ILE 50 HB ILE 50 -2.116 2.492 -3.755 443 1HG1 ILE 50 1HG1 ILE 50 -3.261 0.241 -2.976 444 2HG1 ILE 50 2HG1 ILE 50 -2.044 0.232 -1.721 445 1HG2 ILE 50 1HG2 ILE 50 -0.760 1.108 -5.251 446 2HG2 ILE 50 2HG2 ILE 50 -0.846 -0.255 -4.105 447 3HG2 ILE 50 3HG2 ILE 50 -2.298 0.317 -4.944 448 1HD1 ILE 50 1HD1 ILE 50 -4.170 1.333 -1.014 449 2HD1 ILE 50 2HD1 ILE 50 -2.808 2.431 -0.936 450 3HD1 ILE 50 3HD1 ILE 50 -3.900 2.526 -2.384 451 H ALA 51 H ALA 51 0.489 3.516 -4.380 452 HA ALA 51 HA ALA 51 2.160 1.461 -5.399 453 1HB ALA 51 1HB ALA 51 2.718 3.025 -7.079 454 2HB ALA 51 2HB ALA 51 1.042 3.402 -6.621 455 3HB ALA 51 3HB ALA 51 2.371 4.426 -6.024 456 H ARG 52 H ARG 52 2.713 3.759 -2.905 457 HA ARG 52 HA ARG 52 5.626 3.486 -2.873 458 1HB ARG 52 1HB ARG 52 4.369 5.534 -2.233 459 2HB ARG 52 2HB ARG 52 3.547 4.669 -0.950 460 1HG ARG 52 1HG ARG 52 6.519 5.336 -1.014 461 2HG ARG 52 2HG ARG 52 5.209 6.226 -0.208 462 1HD ARG 52 1HD ARG 52 4.908 3.707 0.830 463 2HD ARG 52 2HD ARG 52 6.641 3.876 0.723 464 HE ARG 52 HE ARG 52 6.572 5.425 2.432 465 1HH1 ARG 52 2HH2 ARG 52 3.293 5.251 1.084 466 2HH1 ARG 52 1HH2 ARG 52 2.521 6.080 2.378 467 1HH2 ARG 52 2HH1 ARG 52 5.565 6.534 4.215 468 2HH2 ARG 52 1HH1 ARG 52 3.880 6.915 4.135 469 H ILE 53 H ILE 53 2.959 2.500 -0.608 470 HA ILE 53 HA ILE 53 4.531 0.725 0.889 471 HB ILE 53 HB ILE 53 1.536 1.059 0.477 472 1HG1 ILE 53 1HG1 ILE 53 3.113 1.833 2.941 473 2HG1 ILE 53 2HG1 ILE 53 3.166 2.904 1.549 474 1HG2 ILE 53 1HG2 ILE 53 3.161 -0.728 2.233 475 2HG2 ILE 53 2HG2 ILE 53 1.626 -0.123 2.866 476 3HG2 ILE 53 3HG2 ILE 53 1.648 -1.048 1.344 477 1HD1 ILE 53 1HD1 ILE 53 0.906 2.346 3.358 478 2HD1 ILE 53 2HD1 ILE 53 1.544 3.872 2.731 479 3HD1 ILE 53 3HD1 ILE 53 0.587 2.824 1.654 480 H LYS 54 H LYS 54 2.373 -0.099 -1.824 481 HA LYS 54 HA LYS 54 2.905 -2.821 -1.495 482 1HB LYS 54 1HB LYS 54 1.804 -3.166 -3.620 483 2HB LYS 54 2HB LYS 54 0.993 -1.793 -2.933 484 1HG LYS 54 1HG LYS 54 1.433 -1.005 -5.126 485 2HG LYS 54 2HG LYS 54 2.936 -0.446 -4.380 486 1HD LYS 54 1HD LYS 54 3.806 -1.479 -6.221 487 2HD LYS 54 2HD LYS 54 3.832 -2.852 -5.113 488 1HE LYS 54 1HE LYS 54 1.503 -3.438 -6.084 489 2HE LYS 54 2HE LYS 54 1.892 -2.287 -7.368 490 1HZ LYS 54 1HZ LYS 54 3.953 -3.650 -7.726 491 2HZ LYS 54 2HZ LYS 54 3.377 -4.719 -6.627 492 3HZ LYS 54 3HZ LYS 54 2.529 -4.463 -8.016 493 H THR 55 H THR 55 4.837 -0.300 -3.090 494 HA THR 55 HA THR 55 6.576 -2.055 -4.495 495 HB THR 55 HB THR 55 6.668 0.797 -3.537 496 HG1 THR 55 HG1 THR 55 5.711 1.016 -5.278 497 1HG2 THR 55 1HG2 THR 55 8.861 -0.491 -5.180 498 2HG2 THR 55 2HG2 THR 55 8.637 1.248 -4.810 499 3HG2 THR 55 3HG2 THR 55 8.991 0.130 -3.516 500 H ILE 56 H ILE 56 6.780 -0.695 -1.122 501 HA ILE 56 HA ILE 56 9.372 -1.550 -0.515 502 HB ILE 56 HB ILE 56 6.872 -1.162 1.071 503 1HG1 ILE 56 1HG1 ILE 56 8.469 0.666 0.168 504 2HG1 ILE 56 2HG1 ILE 56 7.824 0.779 1.776 505 1HG2 ILE 56 1HG2 ILE 56 7.996 -3.083 2.269 506 2HG2 ILE 56 2HG2 ILE 56 9.389 -2.063 2.537 507 3HG2 ILE 56 3HG2 ILE 56 7.803 -1.615 3.196 508 1HD1 ILE 56 1HD1 ILE 56 10.565 -0.355 1.217 509 2HD1 ILE 56 2HD1 ILE 56 10.263 1.362 1.564 510 3HD1 ILE 56 3HD1 ILE 56 9.909 0.160 2.810 511 H LEU 57 H LEU 57 6.394 -3.474 -0.315 512 HA LEU 57 HA LEU 57 7.547 -5.892 0.691 513 1HB LEU 57 1HB LEU 57 5.230 -5.684 0.746 514 2HB LEU 57 2HB LEU 57 5.098 -5.240 -0.958 515 HG LEU 57 HG LEU 57 5.535 -7.473 -1.660 516 1HD1 LEU 57 1HD1 LEU 57 6.157 -8.086 1.242 517 2HD1 LEU 57 2HD1 LEU 57 5.839 -9.339 0.007 518 3HD1 LEU 57 3HD1 LEU 57 7.203 -8.246 -0.185 519 1HD2 LEU 57 1HD2 LEU 57 3.602 -8.621 -0.629 520 2HD2 LEU 57 2HD2 LEU 57 3.629 -7.495 0.733 521 3HD2 LEU 57 3HD2 LEU 57 3.228 -6.918 -0.903 522 H ARG 58 H ARG 58 6.953 -4.901 -2.644 523 HA ARG 58 HA ARG 58 8.274 -6.996 -3.944 524 1HB ARG 58 1HB ARG 58 7.005 -4.695 -4.753 525 2HB ARG 58 2HB ARG 58 8.647 -4.347 -5.213 526 1HG ARG 58 1HG ARG 58 7.040 -6.833 -5.985 527 2HG ARG 58 2HG ARG 58 7.460 -5.479 -7.032 528 1HD ARG 58 1HD ARG 58 9.880 -6.046 -6.636 529 2HD ARG 58 2HD ARG 58 9.399 -7.583 -5.897 530 HE ARG 58 HE ARG 58 9.028 -6.652 -8.728 531 1HH1 ARG 58 2HH2 ARG 58 8.512 -9.420 -6.491 532 2HH1 ARG 58 1HH2 ARG 58 8.569 -10.556 -7.806 533 1HH2 ARG 58 2HH1 ARG 58 8.833 -8.136 -10.330 534 2HH2 ARG 58 1HH1 ARG 58 8.692 -9.847 -9.997 535 H GLU 59 H GLU 59 9.687 -3.899 -2.910 536 HA GLU 59 HA GLU 59 12.395 -4.387 -3.667 537 1HB GLU 59 1HB GLU 59 11.683 -2.910 -1.102 538 2HB GLU 59 2HB GLU 59 13.101 -2.759 -2.125 539 1HG GLU 59 1HG GLU 59 11.301 -2.086 -3.917 540 2HG GLU 59 2HG GLU 59 10.382 -1.665 -2.478 541 H ARG 60 H ARG 60 10.584 -5.534 -0.983 542 HA ARG 60 HA ARG 60 12.846 -6.696 0.498 543 1HB ARG 60 1HB ARG 60 9.926 -7.502 0.825 544 2HB ARG 60 2HB ARG 60 11.256 -7.969 1.831 545 1HG ARG 60 1HG ARG 60 11.253 -5.088 1.798 546 2HG ARG 60 2HG ARG 60 9.575 -5.617 1.973 547 1HD ARG 60 1HD ARG 60 10.484 -5.392 4.178 548 2HD ARG 60 2HD ARG 60 10.276 -7.119 3.869 549 HE ARG 60 HE ARG 60 12.763 -7.057 3.199 550 1HH1 ARG 60 2HH2 ARG 60 11.585 -6.254 6.266 551 2HH1 ARG 60 1HH2 ARG 60 12.879 -5.292 6.830 552 1HH2 ARG 60 2HH1 ARG 60 14.681 -6.659 4.077 553 2HH2 ARG 60 1HH1 ARG 60 14.876 -6.129 5.705 554 H GLU 61 H GLU 61 10.750 -7.791 -2.012 555 HA GLU 61 HA GLU 61 11.390 -10.590 -1.783 556 1HB GLU 61 1HB GLU 61 10.539 -9.216 -4.353 557 2HB GLU 61 2HB GLU 61 10.484 -10.927 -3.975 558 1HG GLU 61 1HG GLU 61 8.840 -10.207 -2.110 559 2HG GLU 61 2HG GLU 61 8.775 -8.670 -2.911 560 H LEU 62 H LEU 62 12.684 -8.078 -4.210 561 HA LEU 62 HA LEU 62 14.804 -9.912 -4.914 562 1HB LEU 62 1HB LEU 62 15.201 -7.172 -5.704 563 2HB LEU 62 2HB LEU 62 15.189 -8.631 -6.649 564 HG LEU 62 HG LEU 62 13.597 -7.328 -7.627 565 1HD1 LEU 62 1HD1 LEU 62 11.506 -8.480 -5.987 566 2HD1 LEU 62 2HD1 LEU 62 11.714 -8.413 -7.733 567 3HD1 LEU 62 3HD1 LEU 62 12.645 -9.599 -6.779 568 1HD2 LEU 62 1HD2 LEU 62 13.618 -5.453 -6.308 569 2HD2 LEU 62 2HD2 LEU 62 11.938 -5.923 -6.415 570 3HD2 LEU 62 3HD2 LEU 62 12.868 -6.279 -4.938 571 H GLY 63 H GLY 63 17.174 -8.736 -4.759 572 1HA GLY 63 1HA GLY 63 17.715 -8.650 -2.021 573 2HA GLY 63 2HA GLY 63 18.853 -8.303 -3.315 574 H ILE 64 H ILE 64 16.041 -6.056 -2.982 575 HA ILE 64 HA ILE 64 17.921 -3.961 -2.933 576 HB ILE 64 HB ILE 64 14.904 -3.912 -2.788 577 1HG1 ILE 64 1HG1 ILE 64 15.361 -5.282 -4.666 578 2HG1 ILE 64 2HG1 ILE 64 14.883 -3.702 -5.231 579 1HG2 ILE 64 1HG2 ILE 64 16.884 -1.883 -3.779 580 2HG2 ILE 64 2HG2 ILE 64 15.115 -1.773 -3.992 581 3HG2 ILE 64 3HG2 ILE 64 15.810 -1.767 -2.369 582 1HD1 ILE 64 1HD1 ILE 64 16.674 -4.555 -6.603 583 2HD1 ILE 64 2HD1 ILE 64 17.250 -3.133 -5.709 584 3HD1 ILE 64 3HD1 ILE 64 17.727 -4.767 -5.193 585 H ARG 65 H ARG 65 16.285 -5.583 -0.352 586 HA ARG 65 HA ARG 65 16.269 -3.146 1.277 587 1HB ARG 65 1HB ARG 65 14.000 -5.079 0.974 588 2HB ARG 65 2HB ARG 65 14.277 -4.292 2.511 589 1HG ARG 65 1HG ARG 65 13.873 -2.754 -0.072 590 2HG ARG 65 2HG ARG 65 12.578 -3.206 1.029 591 1HD ARG 65 1HD ARG 65 12.931 -1.109 1.783 592 2HD ARG 65 2HD ARG 65 14.037 -1.952 2.851 593 HE ARG 65 HE ARG 65 14.705 -0.378 0.382 594 1HH1 ARG 65 2HH2 ARG 65 15.937 -1.855 3.383 595 2HH1 ARG 65 1HH2 ARG 65 17.562 -1.433 3.075 596 1HH2 ARG 65 2HH1 ARG 65 16.735 0.310 0.055 597 2HH2 ARG 65 1HH1 ARG 65 18.042 -0.018 1.158 598 H ARG 66 H ARG 66 18.335 -4.386 0.935 599 HA ARG 66 HA ARG 66 18.743 -6.157 3.132 600 1HB ARG 66 1HB ARG 66 20.702 -4.124 1.912 601 2HB ARG 66 2HB ARG 66 21.100 -5.237 3.212 602 1HG ARG 66 1HG ARG 66 19.995 -6.835 1.125 603 2HG ARG 66 2HG ARG 66 21.056 -5.671 0.325 604 1HD ARG 66 1HD ARG 66 22.590 -6.547 2.501 605 2HD ARG 66 2HD ARG 66 21.661 -7.987 2.046 606 HE ARG 66 HE ARG 66 22.610 -7.252 -0.349 607 1HH1 ARG 66 2HH2 ARG 66 24.200 -7.866 2.788 608 2HH1 ARG 66 1HH2 ARG 66 25.720 -8.235 2.070 609 1HH2 ARG 66 2HH1 ARG 66 24.665 -7.745 -1.279 610 2HH2 ARG 66 1HH1 ARG 66 25.947 -8.258 -0.259 Start of MODEL 5 1 1H MET 1 1H MET 1 11.724 4.641 -2.833 2 HA MET 1 HA MET 1 13.317 6.413 -2.665 3 1HB MET 1 1HB MET 1 11.684 8.204 -3.016 4 2HB MET 1 2HB MET 1 11.108 8.023 -1.348 5 1HG MET 1 1HG MET 1 13.399 8.510 -0.517 6 2HG MET 1 2HG MET 1 13.983 8.641 -2.169 7 1HE MET 1 1HE MET 1 11.708 10.440 -3.669 8 2HE MET 1 2HE MET 1 12.607 11.951 -3.470 9 3HE MET 1 3HE MET 1 13.484 10.449 -3.792 10 H LYS 2 H LYS 2 11.126 6.494 0.324 11 HA LYS 2 HA LYS 2 13.363 5.315 1.851 12 1HB LYS 2 1HB LYS 2 13.646 7.261 3.210 13 2HB LYS 2 2HB LYS 2 13.875 7.732 1.535 14 1HG LYS 2 1HG LYS 2 11.384 8.519 1.595 15 2HG LYS 2 2HG LYS 2 11.494 8.308 3.348 16 1HD LYS 2 1HD LYS 2 13.573 9.856 3.224 17 2HD LYS 2 2HD LYS 2 13.099 10.159 1.560 18 1HE LYS 2 1HE LYS 2 12.156 11.953 2.765 19 2HE LYS 2 2HE LYS 2 10.813 10.866 2.457 20 1HZ LYS 2 1HZ LYS 2 10.858 11.713 4.699 21 2HZ LYS 2 2HZ LYS 2 11.034 10.086 4.777 22 3HZ LYS 2 3HZ LYS 2 12.320 11.078 5.004 23 H ALA 3 H ALA 3 12.739 4.859 4.134 24 HA ALA 3 HA ALA 3 9.819 4.714 4.564 25 1HB ALA 3 1HB ALA 3 10.292 2.518 5.647 26 2HB ALA 3 2HB ALA 3 10.546 2.510 3.897 27 3HB ALA 3 3HB ALA 3 11.936 2.560 4.999 28 H SER 4 H SER 4 12.806 4.076 6.146 29 HA SER 4 HA SER 4 13.295 3.457 8.156 30 1HB SER 4 1HB SER 4 11.688 5.883 9.072 31 2HB SER 4 2HB SER 4 12.356 4.681 10.184 32 HG SER 4 HG SER 4 14.201 5.544 9.990 33 H GLU 5 H GLU 5 10.036 4.495 8.068 34 HA GLU 5 HA GLU 5 9.235 2.700 10.193 35 1HB GLU 5 1HB GLU 5 7.040 3.588 10.031 36 2HB GLU 5 2HB GLU 5 8.203 4.884 9.712 37 1HG GLU 5 1HG GLU 5 7.791 4.416 7.205 38 2HG GLU 5 2HG GLU 5 6.444 3.398 7.738 39 H LEU 6 H LEU 6 8.612 2.548 6.757 40 HA LEU 6 HA LEU 6 7.223 -0.037 6.774 41 1HB LEU 6 1HB LEU 6 8.127 2.083 4.848 42 2HB LEU 6 2HB LEU 6 8.145 0.487 4.172 43 HG LEU 6 HG LEU 6 5.822 0.199 4.321 44 1HD1 LEU 6 1HD1 LEU 6 4.221 1.728 5.267 45 2HD1 LEU 6 2HD1 LEU 6 5.293 1.183 6.560 46 3HD1 LEU 6 3HD1 LEU 6 5.485 2.811 5.841 47 1HD2 LEU 6 1HD2 LEU 6 6.154 1.504 2.457 48 2HD2 LEU 6 2HD2 LEU 6 5.100 2.597 3.339 49 3HD2 LEU 6 3HD2 LEU 6 6.826 2.877 3.334 50 H ARG 7 H ARG 7 10.631 0.741 7.061 51 HA ARG 7 HA ARG 7 11.297 -1.956 6.233 52 1HB ARG 7 1HB ARG 7 12.501 0.145 5.389 53 2HB ARG 7 2HB ARG 7 13.080 0.394 7.047 54 1HG ARG 7 1HG ARG 7 13.453 -2.347 6.061 55 2HG ARG 7 2HG ARG 7 14.211 -1.137 5.016 56 1HD ARG 7 1HD ARG 7 15.536 -0.264 6.844 57 2HD ARG 7 2HD ARG 7 14.644 -1.249 8.027 58 HE ARG 7 HE ARG 7 16.064 -2.679 5.886 59 1HH1 ARG 7 2HH2 ARG 7 16.281 -1.457 9.196 60 2HH1 ARG 7 1HH2 ARG 7 17.613 -2.470 9.626 61 1HH2 ARG 7 2HH1 ARG 7 17.504 -4.305 6.525 62 2HH2 ARG 7 1HH1 ARG 7 18.271 -4.254 8.055 63 H ASN 8 H ASN 8 10.100 -0.329 8.820 64 HA ASN 8 HA ASN 8 12.064 -1.130 10.832 65 1HB ASN 8 1HB ASN 8 10.691 1.078 10.704 66 2HB ASN 8 2HB ASN 8 9.374 0.146 11.431 67 1HD2 ASN 8 1HD2 ASN 8 9.873 -0.840 13.640 68 2HD2 ASN 8 2HD2 ASN 8 11.262 -0.295 14.489 69 H TYR 9 H TYR 9 8.935 -2.447 9.736 70 HA TYR 9 HA TYR 9 8.419 -3.860 12.233 71 1HB TYR 9 1HB TYR 9 7.091 -3.389 9.562 72 2HB TYR 9 2HB TYR 9 6.498 -4.594 10.644 73 HD1 TYR 9 HD1 TYR 9 6.621 -1.288 9.499 74 HD2 TYR 9 HD2 TYR 9 5.622 -3.638 12.948 75 HE1 TYR 9 HE1 TYR 9 5.091 0.515 10.240 76 HE2 TYR 9 HE2 TYR 9 4.075 -1.845 13.741 77 HH TYR 9 HH TYR 9 3.047 0.203 13.155 78 H THR 10 H THR 10 7.923 -6.397 11.731 79 HA THR 10 HA THR 10 10.268 -7.591 10.428 80 HB THR 10 HB THR 10 9.342 -9.654 11.097 81 HG1 THR 10 HG1 THR 10 7.283 -9.855 12.015 82 1HG2 THR 10 1HG2 THR 10 9.181 -9.463 13.510 83 2HG2 THR 10 2HG2 THR 10 10.290 -8.188 12.973 84 3HG2 THR 10 3HG2 THR 10 8.609 -7.778 13.398 85 H ASP 11 H ASP 11 10.029 -8.710 8.224 86 HA ASP 11 HA ASP 11 8.471 -8.410 6.311 87 1HB ASP 11 1HB ASP 11 9.523 -10.995 7.392 88 2HB ASP 11 2HB ASP 11 8.583 -10.914 5.895 89 H GLU 12 H GLU 12 7.308 -10.157 9.148 90 HA GLU 12 HA GLU 12 4.862 -10.803 7.776 91 1HB GLU 12 1HB GLU 12 6.069 -11.501 10.407 92 2HB GLU 12 2HB GLU 12 4.323 -11.672 10.261 93 1HG GLU 12 1HG GLU 12 4.450 -13.161 8.430 94 2HG GLU 12 2HG GLU 12 6.156 -12.799 8.113 95 H GLU 13 H GLU 13 5.839 -8.397 10.180 96 HA GLU 13 HA GLU 13 3.141 -7.337 10.584 97 1HB GLU 13 1HB GLU 13 5.979 -6.555 11.193 98 2HB GLU 13 2HB GLU 13 4.676 -5.381 11.445 99 1HG GLU 13 1HG GLU 13 4.713 -8.199 12.634 100 2HG GLU 13 2HG GLU 13 5.430 -6.803 13.405 101 H LEU 14 H LEU 14 5.868 -6.917 8.469 102 HA LEU 14 HA LEU 14 5.278 -4.505 7.042 103 1HB LEU 14 1HB LEU 14 6.973 -6.972 6.546 104 2HB LEU 14 2HB LEU 14 6.568 -6.030 5.164 105 HG LEU 14 HG LEU 14 8.213 -4.658 5.403 106 1HD1 LEU 14 1HD1 LEU 14 7.975 -4.587 8.313 107 2HD1 LEU 14 2HD1 LEU 14 8.906 -3.432 7.374 108 3HD1 LEU 14 3HD1 LEU 14 7.116 -3.398 7.262 109 1HD2 LEU 14 1HD2 LEU 14 9.505 -6.663 5.899 110 2HD2 LEU 14 2HD2 LEU 14 10.182 -5.123 6.504 111 3HD2 LEU 14 3HD2 LEU 14 9.414 -6.183 7.617 112 H LYS 15 H LYS 15 4.703 -8.001 6.199 113 HA LYS 15 HA LYS 15 3.189 -7.241 3.891 114 1HB LYS 15 1HB LYS 15 2.332 -9.480 3.858 115 2HB LYS 15 2HB LYS 15 4.101 -9.411 3.993 116 1HG LYS 15 1HG LYS 15 3.868 -11.005 5.566 117 2HG LYS 15 2HG LYS 15 3.463 -9.643 6.595 118 1HD LYS 15 1HD LYS 15 1.721 -11.243 6.995 119 2HD LYS 15 2HD LYS 15 0.982 -10.121 5.859 120 1HE LYS 15 1HE LYS 15 0.480 -11.997 4.699 121 2HE LYS 15 2HE LYS 15 2.104 -11.803 4.060 122 1HZ LYS 15 1HZ LYS 15 2.822 -13.419 5.848 123 2HZ LYS 15 2HZ LYS 15 1.231 -13.575 6.247 124 3HZ LYS 15 3HZ LYS 15 1.736 -14.038 4.795 125 H ASN 16 H ASN 16 2.162 -8.001 7.291 126 HA ASN 16 HA ASN 16 -0.578 -7.847 6.585 127 1HB ASN 16 1HB ASN 16 0.381 -8.911 8.649 128 2HB ASN 16 2HB ASN 16 0.864 -7.308 9.231 129 1HD2 ASN 16 1HD2 ASN 16 -0.624 -6.725 10.953 130 2HD2 ASN 16 2HD2 ASN 16 -2.359 -6.808 10.648 131 H LEU 17 H LEU 17 1.619 -5.346 6.650 132 HA LEU 17 HA LEU 17 -0.516 -3.235 7.164 133 1HB LEU 17 1HB LEU 17 2.481 -3.195 7.380 134 2HB LEU 17 2HB LEU 17 1.700 -1.789 6.651 135 HG LEU 17 HG LEU 17 0.248 -1.644 8.740 136 1HD1 LEU 17 1HD1 LEU 17 1.153 -2.640 10.796 137 2HD1 LEU 17 2HD1 LEU 17 0.727 -3.920 9.652 138 3HD1 LEU 17 3HD1 LEU 17 2.422 -3.453 9.877 139 1HD2 LEU 17 1HD2 LEU 17 2.100 -0.469 9.950 140 2HD2 LEU 17 2HD2 LEU 17 3.269 -1.267 8.886 141 3HD2 LEU 17 3HD2 LEU 17 2.096 -0.109 8.219 142 H LEU 18 H LEU 18 2.038 -4.287 4.986 143 HA LEU 18 HA LEU 18 1.329 -2.299 2.989 144 1HB LEU 18 1HB LEU 18 3.163 -4.710 2.592 145 2HB LEU 18 2HB LEU 18 3.210 -3.234 1.689 146 HG LEU 18 HG LEU 18 4.714 -4.082 3.988 147 1HD1 LEU 18 1HD1 LEU 18 5.126 -1.574 2.426 148 2HD1 LEU 18 2HD1 LEU 18 6.273 -2.467 3.418 149 3HD1 LEU 18 3HD1 LEU 18 5.647 -3.210 1.936 150 1HD2 LEU 18 1HD2 LEU 18 3.160 -1.549 4.559 151 2HD2 LEU 18 2HD2 LEU 18 3.621 -2.857 5.608 152 3HD2 LEU 18 3HD2 LEU 18 4.843 -1.723 5.117 153 H GLU 19 H GLU 19 0.443 -5.578 3.527 154 HA GLU 19 HA GLU 19 -0.780 -6.052 0.956 155 1HB GLU 19 1HB GLU 19 -1.685 -7.964 1.926 156 2HB GLU 19 2HB GLU 19 -0.192 -7.762 2.845 157 1HG GLU 19 1HG GLU 19 -1.505 -6.638 4.655 158 2HG GLU 19 2HG GLU 19 -2.978 -6.995 3.744 159 H GLU 20 H GLU 20 -1.787 -4.360 4.009 160 HA GLU 20 HA GLU 20 -4.504 -4.439 3.301 161 1HB GLU 20 1HB GLU 20 -3.578 -4.041 5.653 162 2HB GLU 20 2HB GLU 20 -3.484 -2.347 5.179 163 1HG GLU 20 1HG GLU 20 -6.017 -2.911 4.268 164 2HG GLU 20 2HG GLU 20 -5.896 -4.160 5.514 165 H LYS 21 H LYS 21 -2.080 -1.748 3.027 166 HA LYS 21 HA LYS 21 -3.669 0.091 1.710 167 1HB LYS 21 1HB LYS 21 -0.712 -0.620 1.733 168 2HB LYS 21 2HB LYS 21 -1.241 0.813 0.919 169 1HG LYS 21 1HG LYS 21 -1.581 0.133 3.874 170 2HG LYS 21 2HG LYS 21 -0.393 1.215 3.210 171 1HD LYS 21 1HD LYS 21 -3.304 1.901 2.764 172 2HD LYS 21 2HD LYS 21 -2.633 2.107 4.367 173 1HE LYS 21 1HE LYS 21 -1.036 3.243 2.151 174 2HE LYS 21 2HE LYS 21 -2.580 4.022 2.491 175 1HZ LYS 21 1HZ LYS 21 -0.545 3.601 4.618 176 2HZ LYS 21 2HZ LYS 21 -0.681 4.982 3.757 177 3HZ LYS 21 3HZ LYS 21 -1.920 4.475 4.710 178 H LYS 22 H LYS 22 -1.431 -2.281 0.054 179 HA LYS 22 HA LYS 22 -2.349 -2.141 -2.460 180 1HB LYS 22 1HB LYS 22 -0.564 -3.534 -1.942 181 2HB LYS 22 2HB LYS 22 -1.493 -4.538 -0.840 182 1HG LYS 22 1HG LYS 22 -2.630 -5.662 -2.598 183 2HG LYS 22 2HG LYS 22 -2.101 -4.490 -3.819 184 1HD LYS 22 1HD LYS 22 0.167 -5.216 -3.700 185 2HD LYS 22 2HD LYS 22 -0.135 -6.116 -2.206 186 1HE LYS 22 1HE LYS 22 -1.593 -7.683 -3.427 187 2HE LYS 22 2HE LYS 22 -1.209 -6.862 -4.953 188 1HZ LYS 22 1HZ LYS 22 0.794 -8.118 -3.174 189 2HZ LYS 22 2HZ LYS 22 0.125 -8.861 -4.462 190 3HZ LYS 22 3HZ LYS 22 1.072 -7.554 -4.696 191 H ARG 23 H ARG 23 -4.278 -4.097 0.082 192 HA ARG 23 HA ARG 23 -6.210 -4.741 -2.002 193 1HB ARG 23 1HB ARG 23 -7.661 -5.545 -0.243 194 2HB ARG 23 2HB ARG 23 -6.018 -6.202 -0.158 195 1HG ARG 23 1HG ARG 23 -5.503 -4.608 1.597 196 2HG ARG 23 2HG ARG 23 -7.155 -3.994 1.628 197 1HD ARG 23 1HD ARG 23 -6.922 -5.417 3.454 198 2HD ARG 23 2HD ARG 23 -7.819 -6.391 2.288 199 HE ARG 23 HE ARG 23 -5.186 -6.818 3.426 200 1HH1 ARG 23 2HH2 ARG 23 -7.497 -8.055 1.074 201 2HH1 ARG 23 1HH2 ARG 23 -6.440 -9.218 0.357 202 1HH2 ARG 23 2HH1 ARG 23 -3.687 -8.308 2.453 203 2HH2 ARG 23 1HH1 ARG 23 -4.119 -9.164 1.004 204 H GLN 24 H GLN 24 -6.141 -2.310 0.656 205 HA GLN 24 HA GLN 24 -8.618 -1.222 0.456 206 1HB GLN 24 1HB GLN 24 -5.878 -0.042 1.013 207 2HB GLN 24 2HB GLN 24 -7.238 0.990 0.774 208 1HG GLN 24 1HG GLN 24 -8.400 -0.570 2.597 209 2HG GLN 24 2HG GLN 24 -6.716 -0.844 3.054 210 1HE2 GLN 24 1HE2 GLN 24 -6.665 0.366 4.986 211 2HE2 GLN 24 2HE2 GLN 24 -6.984 2.098 5.051 212 H LEU 25 H LEU 25 -5.783 -0.346 -1.591 213 HA LEU 25 HA LEU 25 -7.055 1.659 -3.121 214 1HB LEU 25 1HB LEU 25 -4.698 1.189 -3.409 215 2HB LEU 25 2HB LEU 25 -5.018 -0.486 -3.846 216 HG LEU 25 HG LEU 25 -6.359 0.666 -5.907 217 1HD1 LEU 25 1HD1 LEU 25 -4.381 2.813 -5.095 218 2HD1 LEU 25 2HD1 LEU 25 -5.418 2.746 -6.540 219 3HD1 LEU 25 3HD1 LEU 25 -6.145 2.928 -4.926 220 1HD2 LEU 25 1HD2 LEU 25 -3.350 0.613 -5.908 221 2HD2 LEU 25 2HD2 LEU 25 -4.444 -0.781 -6.180 222 3HD2 LEU 25 3HD2 LEU 25 -4.450 0.587 -7.292 223 H MET 26 H MET 26 -6.913 -1.850 -3.818 224 HA MET 26 HA MET 26 -8.555 -1.789 -6.113 225 1HB MET 26 1HB MET 26 -7.470 -3.752 -6.090 226 2HB MET 26 2HB MET 26 -7.367 -3.829 -4.326 227 1HG MET 26 1HG MET 26 -9.607 -4.612 -4.135 228 2HG MET 26 2HG MET 26 -9.905 -4.382 -5.862 229 1HE MET 26 1HE MET 26 -10.887 -6.761 -6.400 230 2HE MET 26 2HE MET 26 -10.304 -8.184 -5.506 231 3HE MET 26 3HE MET 26 -10.952 -6.788 -4.628 232 H GLU 27 H GLU 27 -9.347 -1.988 -2.654 233 HA GLU 27 HA GLU 27 -11.999 -3.098 -3.099 234 1HB GLU 27 1HB GLU 27 -10.711 -1.915 -0.624 235 2HB GLU 27 2HB GLU 27 -12.231 -2.816 -0.643 236 1HG GLU 27 1HG GLU 27 -9.844 -4.169 -1.903 237 2HG GLU 27 2HG GLU 27 -9.812 -3.849 -0.197 238 H LEU 28 H LEU 28 -10.556 0.014 -2.254 239 HA LEU 28 HA LEU 28 -13.004 1.499 -2.095 240 1HB LEU 28 1HB LEU 28 -10.087 2.174 -2.401 241 2HB LEU 28 2HB LEU 28 -11.322 3.398 -2.552 242 HG LEU 28 HG LEU 28 -11.930 3.378 -0.332 243 1HD1 LEU 28 1HD1 LEU 28 -11.271 1.711 1.365 244 2HD1 LEU 28 2HD1 LEU 28 -12.321 1.011 0.127 245 3HD1 LEU 28 3HD1 LEU 28 -10.576 0.688 0.117 246 1HD2 LEU 28 1HD2 LEU 28 -8.970 2.658 -0.357 247 2HD2 LEU 28 2HD2 LEU 28 -9.650 4.271 -0.716 248 3HD2 LEU 28 3HD2 LEU 28 -9.806 3.582 0.909 249 H ARG 29 H ARG 29 -10.729 0.931 -4.784 250 HA ARG 29 HA ARG 29 -12.314 2.523 -6.622 251 1HB ARG 29 1HB ARG 29 -11.197 1.572 -8.470 252 2HB ARG 29 2HB ARG 29 -10.032 2.015 -7.230 253 1HG ARG 29 1HG ARG 29 -9.691 -0.221 -6.664 254 2HG ARG 29 2HG ARG 29 -11.057 -0.834 -7.600 255 1HD ARG 29 1HD ARG 29 -8.746 0.606 -8.921 256 2HD ARG 29 2HD ARG 29 -8.700 -1.129 -8.582 257 HE ARG 29 HE ARG 29 -11.170 -0.456 -9.866 258 1HH1 ARG 29 2HH2 ARG 29 -7.754 -1.201 -10.658 259 2HH1 ARG 29 1HH2 ARG 29 -8.161 -1.866 -12.190 260 1HH2 ARG 29 2HH1 ARG 29 -11.648 -1.197 -11.841 261 2HH2 ARG 29 1HH1 ARG 29 -10.480 -1.696 -12.999 262 H PHE 30 H PHE 30 -12.650 -0.750 -5.458 263 HA PHE 30 HA PHE 30 -14.711 -1.643 -7.230 264 1HB PHE 30 1HB PHE 30 -13.444 -3.289 -6.083 265 2HB PHE 30 2HB PHE 30 -13.516 -2.469 -4.602 266 HD1 PHE 30 HD1 PHE 30 -15.722 -4.349 -6.950 267 HD2 PHE 30 HD2 PHE 30 -15.008 -3.037 -2.894 268 HE1 PHE 30 HE1 PHE 30 -17.427 -5.940 -6.125 269 HE2 PHE 30 HE2 PHE 30 -16.702 -4.648 -2.078 270 HZ PHE 30 HZ PHE 30 -17.882 -6.131 -3.679 271 H GLN 31 H GLN 31 -14.842 0.194 -3.970 272 HA GLN 31 HA GLN 31 -17.686 -0.050 -3.800 273 1HB GLN 31 1HB GLN 31 -15.603 1.872 -2.615 274 2HB GLN 31 2HB GLN 31 -17.315 1.953 -2.264 275 1HG GLN 31 1HG GLN 31 -17.242 -0.399 -1.419 276 2HG GLN 31 2HG GLN 31 -15.486 -0.364 -1.557 277 1HE2 GLN 31 1HE2 GLN 31 -17.790 -0.113 0.753 278 2HE2 GLN 31 2HE2 GLN 31 -16.956 0.975 1.835 279 H LEU 32 H LEU 32 -15.304 2.193 -5.111 280 HA LEU 32 HA LEU 32 -16.983 4.337 -5.797 281 1HB LEU 32 1HB LEU 32 -14.588 4.496 -5.792 282 2HB LEU 32 2HB LEU 32 -14.383 3.254 -6.915 283 HG LEU 32 HG LEU 32 -13.930 5.409 -7.809 284 1HD1 LEU 32 1HD1 LEU 32 -16.433 4.813 -9.345 285 2HD1 LEU 32 2HD1 LEU 32 -14.889 5.458 -9.883 286 3HD1 LEU 32 3HD1 LEU 32 -14.999 3.758 -9.410 287 1HD2 LEU 32 1HD2 LEU 32 -16.838 6.087 -7.161 288 2HD2 LEU 32 2HD2 LEU 32 -15.404 6.793 -6.396 289 3HD2 LEU 32 3HD2 LEU 32 -15.756 7.148 -8.088 290 H ALA 33 H ALA 33 -15.954 1.670 -7.845 291 HA ALA 33 HA ALA 33 -17.514 2.209 -10.132 292 1HB ALA 33 1HB ALA 33 -16.620 -0.488 -9.002 293 2HB ALA 33 2HB ALA 33 -17.148 -0.188 -10.668 294 3HB ALA 33 3HB ALA 33 -15.660 0.573 -10.066 295 H MET 34 H MET 34 -18.349 0.264 -7.205 296 HA MET 34 HA MET 34 -20.897 -0.491 -8.179 297 1HB MET 34 1HB MET 34 -19.435 -0.512 -5.551 298 2HB MET 34 2HB MET 34 -21.178 -0.582 -5.460 299 1HG MET 34 1HG MET 34 -20.256 -2.389 -7.564 300 2HG MET 34 2HG MET 34 -19.457 -2.750 -6.053 301 1HE MET 34 1HE MET 34 -22.272 -4.000 -8.125 302 2HE MET 34 2HE MET 34 -21.007 -4.922 -7.287 303 3HE MET 34 3HE MET 34 -22.715 -5.167 -6.862 304 H GLY 35 H GLY 35 -19.769 2.154 -6.213 305 1HA GLY 35 1HA GLY 35 -20.470 4.271 -6.866 306 2HA GLY 35 2HA GLY 35 -22.177 3.786 -6.838 307 H GLN 36 H GLN 36 -19.483 3.260 -4.467 308 HA GLN 36 HA GLN 36 -21.224 4.633 -2.437 309 1HB GLN 36 1HB GLN 36 -19.216 2.653 -1.514 310 2HB GLN 36 2HB GLN 36 -20.811 3.035 -0.923 311 1HG GLN 36 1HG GLN 36 -21.739 1.791 -2.982 312 2HG GLN 36 2HG GLN 36 -20.093 1.252 -3.288 313 1HE2 GLN 36 1HE2 GLN 36 -22.917 0.754 -1.343 314 2HE2 GLN 36 2HE2 GLN 36 -22.280 -0.513 -0.311 315 H LEU 37 H LEU 37 -17.945 4.384 -3.734 316 HA LEU 37 HA LEU 37 -16.585 5.805 -1.715 317 1HB LEU 37 1HB LEU 37 -15.883 4.433 -3.807 318 2HB LEU 37 2HB LEU 37 -15.927 5.975 -4.601 319 HG LEU 37 HG LEU 37 -13.716 5.480 -4.087 320 1HD1 LEU 37 1HD1 LEU 37 -12.890 7.098 -2.422 321 2HD1 LEU 37 2HD1 LEU 37 -13.988 7.760 -3.630 322 3HD1 LEU 37 3HD1 LEU 37 -14.562 7.450 -1.964 323 1HD2 LEU 37 1HD2 LEU 37 -12.905 4.775 -1.928 324 2HD2 LEU 37 2HD2 LEU 37 -14.556 4.748 -1.285 325 3HD2 LEU 37 3HD2 LEU 37 -14.105 3.656 -2.634 326 H LYS 38 H LYS 38 -17.910 7.066 -4.848 327 HA LYS 38 HA LYS 38 -17.808 9.135 -5.713 328 1HB LYS 38 1HB LYS 38 -19.379 9.587 -3.159 329 2HB LYS 38 2HB LYS 38 -18.968 10.937 -4.185 330 1HG LYS 38 1HG LYS 38 -20.940 10.499 -5.126 331 2HG LYS 38 2HG LYS 38 -19.966 9.451 -6.142 332 1HD LYS 38 1HD LYS 38 -20.638 7.502 -4.724 333 2HD LYS 38 2HD LYS 38 -21.585 8.597 -3.697 334 1HE LYS 38 1HE LYS 38 -22.961 9.271 -5.633 335 2HE LYS 38 2HE LYS 38 -22.004 8.242 -6.702 336 1HZ LYS 38 1HZ LYS 38 -23.722 7.319 -4.485 337 2HZ LYS 38 2HZ LYS 38 -24.004 7.084 -6.109 338 3HZ LYS 38 3HZ LYS 38 -22.776 6.336 -5.352 339 H ASN 39 H ASN 39 -17.197 11.606 -5.185 340 HA ASN 39 HA ASN 39 -15.610 13.113 -4.744 341 1HB ASN 39 1HB ASN 39 -16.235 12.531 -2.368 342 2HB ASN 39 2HB ASN 39 -14.802 11.513 -2.292 343 1HD2 ASN 39 1HD2 ASN 39 -14.794 13.478 -0.417 344 2HD2 ASN 39 2HD2 ASN 39 -13.856 14.868 -0.953 345 H THR 40 H THR 40 -14.084 9.957 -4.090 346 HA THR 40 HA THR 40 -12.257 8.908 -4.726 347 HB THR 40 HB THR 40 -11.240 9.280 -6.853 348 HG1 THR 40 HG1 THR 40 -12.616 11.677 -6.696 349 1HG2 THR 40 1HG2 THR 40 -14.292 9.410 -7.005 350 2HG2 THR 40 2HG2 THR 40 -13.214 8.816 -8.274 351 3HG2 THR 40 3HG2 THR 40 -13.306 7.950 -6.734 352 H SER 41 H SER 41 -11.828 12.256 -3.973 353 HA SER 41 HA SER 41 -9.167 12.709 -4.193 354 1HB SER 41 1HB SER 41 -10.874 13.223 -1.711 355 2HB SER 41 2HB SER 41 -9.418 14.118 -2.205 356 HG SER 41 HG SER 41 -11.927 14.573 -2.957 357 H LEU 42 H LEU 42 -10.699 10.633 -1.690 358 HA LEU 42 HA LEU 42 -8.261 10.276 -0.222 359 1HB LEU 42 1HB LEU 42 -10.731 10.116 0.531 360 2HB LEU 42 2HB LEU 42 -10.747 8.523 -0.188 361 HG LEU 42 HG LEU 42 -10.461 8.614 2.234 362 1HD1 LEU 42 1HD1 LEU 42 -8.818 6.907 2.524 363 2HD1 LEU 42 2HD1 LEU 42 -9.496 6.657 0.912 364 3HD1 LEU 42 3HD1 LEU 42 -7.903 7.424 1.108 365 1HD2 LEU 42 1HD2 LEU 42 -7.617 9.628 1.871 366 2HD2 LEU 42 2HD2 LEU 42 -8.970 10.716 2.194 367 3HD2 LEU 42 3HD2 LEU 42 -8.541 9.448 3.365 368 H ILE 43 H ILE 43 -10.068 8.229 -2.616 369 HA ILE 43 HA ILE 43 -8.258 6.148 -2.828 370 HB ILE 43 HB ILE 43 -10.441 7.225 -4.347 371 1HG1 ILE 43 1HG1 ILE 43 -10.275 5.076 -3.175 372 2HG1 ILE 43 2HG1 ILE 43 -10.945 4.958 -4.794 373 1HG2 ILE 43 1HG2 ILE 43 -9.976 6.402 -6.597 374 2HG2 ILE 43 2HG2 ILE 43 -9.003 7.814 -6.177 375 3HG2 ILE 43 3HG2 ILE 43 -8.269 6.204 -6.159 376 1HD1 ILE 43 1HD1 ILE 43 -9.456 3.038 -4.356 377 2HD1 ILE 43 2HD1 ILE 43 -8.785 4.017 -5.639 378 3HD1 ILE 43 3HD1 ILE 43 -8.112 4.122 -3.994 379 H LYS 44 H LYS 44 -7.940 9.410 -4.482 380 HA LYS 44 HA LYS 44 -5.607 8.737 -5.875 381 1HB LYS 44 1HB LYS 44 -6.414 10.686 -6.737 382 2HB LYS 44 2HB LYS 44 -7.366 11.032 -5.309 383 1HG LYS 44 1HG LYS 44 -5.936 12.893 -5.660 384 2HG LYS 44 2HG LYS 44 -5.392 12.059 -4.219 385 1HD LYS 44 1HD LYS 44 -3.911 10.777 -6.091 386 2HD LYS 44 2HD LYS 44 -4.089 12.298 -6.903 387 1HE LYS 44 1HE LYS 44 -3.327 12.594 -4.020 388 2HE LYS 44 2HE LYS 44 -2.189 11.616 -4.958 389 1HZ LYS 44 1HZ LYS 44 -1.407 13.764 -5.158 390 2HZ LYS 44 2HZ LYS 44 -2.126 13.460 -6.583 391 3HZ LYS 44 3HZ LYS 44 -2.883 14.441 -5.474 392 H LEU 45 H LEU 45 -6.037 9.879 -2.401 393 HA LEU 45 HA LEU 45 -3.229 10.263 -2.049 394 1HB LEU 45 1HB LEU 45 -5.744 10.120 -0.339 395 2HB LEU 45 2HB LEU 45 -4.198 9.903 0.375 396 HG LEU 45 HG LEU 45 -4.730 12.118 0.771 397 1HD1 LEU 45 1HD1 LEU 45 -2.923 12.381 -1.657 398 2HD1 LEU 45 2HD1 LEU 45 -3.056 13.478 -0.281 399 3HD1 LEU 45 3HD1 LEU 45 -2.398 11.862 -0.028 400 1HD2 LEU 45 1HD2 LEU 45 -5.441 13.771 -0.877 401 2HD2 LEU 45 2HD2 LEU 45 -5.459 12.526 -2.130 402 3HD2 LEU 45 3HD2 LEU 45 -6.569 12.426 -0.746 403 H THR 46 H THR 46 -5.575 7.577 -1.992 404 HA THR 46 HA THR 46 -3.969 5.827 -0.416 405 HB THR 46 HB THR 46 -6.285 5.233 -2.321 406 HG1 THR 46 HG1 THR 46 -6.777 6.797 -0.684 407 1HG2 THR 46 1HG2 THR 46 -6.833 3.516 -0.520 408 2HG2 THR 46 2HG2 THR 46 -5.586 3.122 -1.685 409 3HG2 THR 46 3HG2 THR 46 -5.137 3.661 -0.027 410 H LYS 47 H LYS 47 -4.465 6.127 -4.035 411 HA LYS 47 HA LYS 47 -2.607 4.174 -4.680 412 1HB LYS 47 1HB LYS 47 -2.107 5.654 -6.822 413 2HB LYS 47 2HB LYS 47 -3.297 4.389 -6.651 414 1HG LYS 47 1HG LYS 47 -4.038 6.973 -5.676 415 2HG LYS 47 2HG LYS 47 -3.848 6.893 -7.437 416 1HD LYS 47 1HD LYS 47 -5.582 5.028 -5.762 417 2HD LYS 47 2HD LYS 47 -6.185 6.488 -6.605 418 1HE LYS 47 1HE LYS 47 -5.274 5.546 -8.784 419 2HE LYS 47 2HE LYS 47 -5.039 4.013 -7.964 420 1HZ LYS 47 1HZ LYS 47 -7.589 5.402 -8.458 421 2HZ LYS 47 2HZ LYS 47 -7.106 3.969 -9.058 422 3HZ LYS 47 3HZ LYS 47 -7.472 4.051 -7.485 423 H ARG 48 H ARG 48 -1.779 7.558 -4.000 424 HA ARG 48 HA ARG 48 0.930 7.317 -4.903 425 1HB ARG 48 1HB ARG 48 1.160 9.476 -4.108 426 2HB ARG 48 2HB ARG 48 -0.605 9.349 -4.004 427 1HG ARG 48 1HG ARG 48 -0.222 8.571 -1.585 428 2HG ARG 48 2HG ARG 48 1.423 9.157 -1.764 429 1HD ARG 48 1HD ARG 48 0.360 11.418 -2.339 430 2HD ARG 48 2HD ARG 48 -1.191 10.708 -1.849 431 HE ARG 48 HE ARG 48 0.791 11.795 -0.170 432 1HH1 ARG 48 2HH2 ARG 48 -1.392 8.934 -0.123 433 2HH1 ARG 48 1HH2 ARG 48 -1.287 8.775 1.580 434 1HH2 ARG 48 2HH1 ARG 48 0.867 11.505 2.117 435 2HH2 ARG 48 1HH1 ARG 48 0.048 10.169 2.853 436 H ASP 49 H ASP 49 -0.609 6.412 -1.876 437 HA ASP 49 HA ASP 49 1.923 5.795 -0.527 438 1HB ASP 49 1HB ASP 49 -0.766 6.445 0.183 439 2HB ASP 49 2HB ASP 49 -0.524 4.830 0.751 440 H ILE 50 H ILE 50 -0.802 4.152 -2.162 441 HA ILE 50 HA ILE 50 0.103 1.523 -1.346 442 HB ILE 50 HB ILE 50 -1.725 2.454 -3.574 443 1HG1 ILE 50 1HG1 ILE 50 -2.957 0.401 -2.474 444 2HG1 ILE 50 2HG1 ILE 50 -1.706 0.466 -1.260 445 1HG2 ILE 50 1HG2 ILE 50 -0.489 -0.334 -3.479 446 2HG2 ILE 50 2HG2 ILE 50 -1.936 0.080 -4.375 447 3HG2 ILE 50 3HG2 ILE 50 -0.408 0.819 -4.843 448 1HD1 ILE 50 1HD1 ILE 50 -3.538 2.761 -2.043 449 2HD1 ILE 50 2HD1 ILE 50 -3.764 1.667 -0.601 450 3HD1 ILE 50 3HD1 ILE 50 -2.384 2.740 -0.646 451 H ALA 51 H ALA 51 0.795 3.547 -4.265 452 HA ALA 51 HA ALA 51 2.723 1.647 -5.159 453 1HB ALA 51 1HB ALA 51 3.192 3.354 -6.851 454 2HB ALA 51 2HB ALA 51 1.433 3.424 -6.494 455 3HB ALA 51 3HB ALA 51 2.516 4.637 -5.808 456 H ARG 52 H ARG 52 2.942 3.716 -2.512 457 HA ARG 52 HA ARG 52 5.917 3.713 -2.475 458 1HB ARG 52 1HB ARG 52 4.685 5.734 -1.771 459 2HB ARG 52 2HB ARG 52 3.793 4.831 -0.571 460 1HG ARG 52 1HG ARG 52 6.776 4.909 -0.356 461 2HG ARG 52 2HG ARG 52 5.843 6.349 0.042 462 1HD ARG 52 1HD ARG 52 5.235 3.694 1.244 463 2HD ARG 52 2HD ARG 52 6.427 4.778 1.940 464 HE ARG 52 HE ARG 52 3.692 5.914 1.553 465 1HH1 ARG 52 2HH2 ARG 52 6.043 4.758 3.945 466 2HH1 ARG 52 1HH2 ARG 52 5.109 5.307 5.314 467 1HH2 ARG 52 2HH1 ARG 52 2.549 6.649 3.247 468 2HH2 ARG 52 1HH1 ARG 52 3.116 6.529 4.893 469 H ILE 53 H ILE 53 3.263 2.594 -0.307 470 HA ILE 53 HA ILE 53 4.809 0.720 1.145 471 HB ILE 53 HB ILE 53 1.827 1.005 0.616 472 1HG1 ILE 53 1HG1 ILE 53 2.999 1.838 3.258 473 2HG1 ILE 53 2HG1 ILE 53 3.514 2.828 1.919 474 1HG2 ILE 53 1HG2 ILE 53 2.373 -1.164 1.562 475 2HG2 ILE 53 2HG2 ILE 53 3.358 -0.379 2.811 476 3HG2 ILE 53 3HG2 ILE 53 1.588 -0.150 2.800 477 1HD1 ILE 53 1HD1 ILE 53 1.748 3.994 2.004 478 2HD1 ILE 53 2HD1 ILE 53 0.712 2.589 1.660 479 3HD1 ILE 53 3HD1 ILE 53 1.131 3.021 3.346 480 H LYS 54 H LYS 54 2.676 0.049 -1.598 481 HA LYS 54 HA LYS 54 3.290 -2.728 -1.449 482 1HB LYS 54 1HB LYS 54 1.981 -2.978 -3.443 483 2HB LYS 54 2HB LYS 54 1.208 -1.660 -2.654 484 1HG LYS 54 1HG LYS 54 1.428 -0.812 -4.795 485 2HG LYS 54 2HG LYS 54 3.024 -0.280 -4.213 486 1HD LYS 54 1HD LYS 54 4.181 -1.726 -5.476 487 2HD LYS 54 2HD LYS 54 2.955 -2.997 -5.416 488 1HE LYS 54 1HE LYS 54 1.641 -2.027 -7.094 489 2HE LYS 54 2HE LYS 54 2.312 -0.408 -6.855 490 1HZ LYS 54 1HZ LYS 54 4.292 -1.028 -7.941 491 2HZ LYS 54 2HZ LYS 54 3.948 -2.609 -7.909 492 3HZ LYS 54 3HZ LYS 54 3.062 -1.624 -8.884 493 H THR 55 H THR 55 4.942 0.002 -2.926 494 HA THR 55 HA THR 55 6.791 -1.473 -4.518 495 HB THR 55 HB THR 55 6.606 1.260 -3.307 496 HG1 THR 55 HG1 THR 55 6.066 1.663 -5.168 497 1HG2 THR 55 1HG2 THR 55 9.182 0.134 -4.426 498 2HG2 THR 55 2HG2 THR 55 8.794 1.880 -4.323 499 3HG2 THR 55 3HG2 THR 55 8.898 0.928 -2.848 500 H ILE 56 H ILE 56 6.964 -0.368 -1.066 501 HA ILE 56 HA ILE 56 9.549 -1.350 -0.525 502 HB ILE 56 HB ILE 56 7.119 -1.012 1.215 503 1HG1 ILE 56 1HG1 ILE 56 8.653 0.894 0.242 504 2HG1 ILE 56 2HG1 ILE 56 8.041 0.932 1.871 505 1HG2 ILE 56 1HG2 ILE 56 8.247 -2.885 2.291 506 2HG2 ILE 56 2HG2 ILE 56 9.824 -2.087 2.069 507 3HG2 ILE 56 3HG2 ILE 56 8.631 -1.440 3.201 508 1HD1 ILE 56 1HD1 ILE 56 10.802 -0.077 1.203 509 2HD1 ILE 56 2HD1 ILE 56 10.430 1.599 1.659 510 3HD1 ILE 56 3HD1 ILE 56 10.162 0.295 2.833 511 H LEU 57 H LEU 57 6.418 -3.074 -0.366 512 HA LEU 57 HA LEU 57 7.356 -5.618 0.455 513 1HB LEU 57 1HB LEU 57 4.942 -4.725 0.029 514 2HB LEU 57 2HB LEU 57 5.185 -5.466 -1.544 515 HG LEU 57 HG LEU 57 4.194 -6.999 -0.105 516 1HD1 LEU 57 1HD1 LEU 57 6.994 -8.060 -0.286 517 2HD1 LEU 57 2HD1 LEU 57 5.474 -8.953 -0.296 518 3HD1 LEU 57 3HD1 LEU 57 5.859 -7.925 -1.667 519 1HD2 LEU 57 1HD2 LEU 57 5.011 -5.954 2.022 520 2HD2 LEU 57 2HD2 LEU 57 4.878 -7.720 2.017 521 3HD2 LEU 57 3HD2 LEU 57 6.469 -6.959 1.861 522 H ARG 58 H ARG 58 6.984 -4.323 -2.922 523 HA ARG 58 HA ARG 58 8.106 -6.538 -4.179 524 1HB ARG 58 1HB ARG 58 7.070 -4.082 -5.002 525 2HB ARG 58 2HB ARG 58 8.744 -3.986 -5.480 526 1HG ARG 58 1HG ARG 58 6.792 -6.222 -6.173 527 2HG ARG 58 2HG ARG 58 7.495 -5.036 -7.271 528 1HD ARG 58 1HD ARG 58 9.736 -6.022 -6.871 529 2HD ARG 58 2HD ARG 58 9.004 -7.355 -5.975 530 HE ARG 58 HE ARG 58 7.891 -8.077 -7.940 531 1HH1 ARG 58 2HH2 ARG 58 10.115 -5.373 -8.673 532 2HH1 ARG 58 1HH2 ARG 58 9.863 -5.495 -10.389 533 1HH2 ARG 58 2HH1 ARG 58 7.244 -7.781 -10.141 534 2HH2 ARG 58 1HH1 ARG 58 8.213 -6.942 -11.242 535 H GLU 59 H GLU 59 9.752 -3.589 -3.110 536 HA GLU 59 HA GLU 59 12.393 -4.175 -3.984 537 1HB GLU 59 1HB GLU 59 11.722 -2.792 -1.345 538 2HB GLU 59 2HB GLU 59 13.174 -2.625 -2.320 539 1HG GLU 59 1HG GLU 59 11.425 -1.869 -4.169 540 2HG GLU 59 2HG GLU 59 10.501 -1.443 -2.735 541 H ARG 60 H ARG 60 10.658 -5.224 -1.156 542 HA ARG 60 HA ARG 60 12.923 -6.706 -0.059 543 1HB ARG 60 1HB ARG 60 9.987 -6.556 0.720 544 2HB ARG 60 2HB ARG 60 11.083 -7.749 1.419 545 1HG ARG 60 1HG ARG 60 12.648 -5.927 2.067 546 2HG ARG 60 2HG ARG 60 11.450 -4.731 1.535 547 1HD ARG 60 1HD ARG 60 10.045 -5.158 3.316 548 2HD ARG 60 2HD ARG 60 10.428 -6.869 3.370 549 HE ARG 60 HE ARG 60 11.872 -4.677 4.683 550 1HH1 ARG 60 2HH2 ARG 60 11.901 -8.124 3.776 551 2HH1 ARG 60 1HH2 ARG 60 12.458 -8.625 5.264 552 1HH2 ARG 60 2HH1 ARG 60 13.162 -5.440 6.592 553 2HH2 ARG 60 1HH1 ARG 60 13.602 -7.099 6.622 554 H GLU 61 H GLU 61 10.222 -7.505 -2.042 555 HA GLU 61 HA GLU 61 10.242 -10.290 -1.789 556 1HB GLU 61 1HB GLU 61 9.577 -8.722 -4.309 557 2HB GLU 61 2HB GLU 61 9.344 -10.449 -4.112 558 1HG GLU 61 1HG GLU 61 7.995 -9.404 -1.934 559 2HG GLU 61 2HG GLU 61 7.769 -8.158 -3.096 560 H LEU 62 H LEU 62 12.158 -8.314 -4.246 561 HA LEU 62 HA LEU 62 13.598 -10.703 -4.974 562 1HB LEU 62 1HB LEU 62 14.679 -8.021 -5.641 563 2HB LEU 62 2HB LEU 62 14.554 -9.471 -6.605 564 HG LEU 62 HG LEU 62 13.104 -8.223 -7.744 565 1HD1 LEU 62 1HD1 LEU 62 10.945 -8.743 -7.666 566 2HD1 LEU 62 2HD1 LEU 62 11.690 -10.073 -6.761 567 3HD1 LEU 62 3HD1 LEU 62 10.888 -8.739 -5.908 568 1HD2 LEU 62 1HD2 LEU 62 11.790 -6.333 -6.856 569 2HD2 LEU 62 2HD2 LEU 62 12.642 -6.605 -5.302 570 3HD2 LEU 62 3HD2 LEU 62 13.541 -6.224 -6.770 571 H GLY 63 H GLY 63 14.153 -8.022 -2.719 572 1HA GLY 63 1HA GLY 63 15.647 -8.641 -0.901 573 2HA GLY 63 2HA GLY 63 16.843 -9.195 -2.060 574 H ILE 64 H ILE 64 15.267 -6.171 -2.982 575 HA ILE 64 HA ILE 64 17.682 -4.730 -2.958 576 HB ILE 64 HB ILE 64 14.743 -3.939 -3.128 577 1HG1 ILE 64 1HG1 ILE 64 16.683 -4.395 -5.405 578 2HG1 ILE 64 2HG1 ILE 64 15.462 -5.556 -4.914 579 1HG2 ILE 64 1HG2 ILE 64 17.142 -2.326 -3.973 580 2HG2 ILE 64 2HG2 ILE 64 15.427 -1.851 -4.170 581 3HG2 ILE 64 3HG2 ILE 64 16.101 -1.999 -2.571 582 1HD1 ILE 64 1HD1 ILE 64 14.869 -2.784 -6.014 583 2HD1 ILE 64 2HD1 ILE 64 14.763 -4.317 -6.880 584 3HD1 ILE 64 3HD1 ILE 64 13.689 -4.005 -5.507 585 H ARG 65 H ARG 65 15.359 -5.406 -0.494 586 HA ARG 65 HA ARG 65 16.221 -3.062 1.092 587 1HB ARG 65 1HB ARG 65 13.441 -3.746 0.198 588 2HB ARG 65 2HB ARG 65 13.602 -3.210 1.862 589 1HG ARG 65 1HG ARG 65 14.756 -1.677 -0.489 590 2HG ARG 65 2HG ARG 65 13.165 -1.365 0.227 591 1HD ARG 65 1HD ARG 65 14.009 -0.523 2.205 592 2HD ARG 65 2HD ARG 65 15.533 -1.376 2.085 593 HE ARG 65 HE ARG 65 14.790 1.141 0.767 594 1HH1 ARG 65 2HH2 ARG 65 17.353 -1.342 1.150 595 2HH1 ARG 65 1HH2 ARG 65 18.605 -0.291 0.600 596 1HH2 ARG 65 2HH1 ARG 65 16.467 2.446 0.013 597 2HH2 ARG 65 1HH1 ARG 65 18.038 1.783 -0.336 598 H ARG 66 H ARG 66 17.099 -5.672 1.032 599 HA ARG 66 HA ARG 66 16.428 -7.039 3.336 600 1HB ARG 66 1HB ARG 66 19.081 -6.553 1.936 601 2HB ARG 66 2HB ARG 66 18.999 -7.610 3.359 602 1HG ARG 66 1HG ARG 66 17.536 -9.152 2.234 603 2HG ARG 66 2HG ARG 66 17.283 -8.059 0.894 604 1HD ARG 66 1HD ARG 66 18.906 -9.267 -0.147 605 2HD ARG 66 2HD ARG 66 20.024 -8.263 0.784 606 HE ARG 66 HE ARG 66 19.082 -10.585 2.248 607 1HH1 ARG 66 2HH2 ARG 66 21.624 -9.654 -0.099 608 2HH1 ARG 66 1HH2 ARG 66 22.753 -10.783 0.560 609 1HH2 ARG 66 2HH1 ARG 66 20.363 -12.207 2.798 610 2HH2 ARG 66 1HH1 ARG 66 21.968 -12.409 2.172 Start of MODEL 6 1 1H MET 1 1H MET 1 9.969 8.108 -0.051 2 HA MET 1 HA MET 1 11.698 6.716 -1.123 3 1HB MET 1 1HB MET 1 14.025 7.142 -0.644 4 2HB MET 1 2HB MET 1 13.332 8.476 -1.541 5 1HG MET 1 1HG MET 1 13.930 8.409 1.448 6 2HG MET 1 2HG MET 1 14.904 9.187 0.218 7 1HE MET 1 1HE MET 1 14.225 11.415 -1.102 8 2HE MET 1 2HE MET 1 12.733 10.615 -1.653 9 3HE MET 1 3HE MET 1 12.643 12.202 -0.888 10 H LYS 2 H LYS 2 12.583 4.988 -0.010 11 HA LYS 2 HA LYS 2 12.709 3.436 1.633 12 1HB LYS 2 1HB LYS 2 13.868 5.871 3.017 13 2HB LYS 2 2HB LYS 2 14.113 4.210 3.561 14 1HG LYS 2 1HG LYS 2 15.193 3.602 1.451 15 2HG LYS 2 2HG LYS 2 14.925 5.210 0.789 16 1HD LYS 2 1HD LYS 2 16.495 4.789 3.349 17 2HD LYS 2 2HD LYS 2 17.252 4.693 1.747 18 1HE LYS 2 1HE LYS 2 16.492 6.967 1.206 19 2HE LYS 2 2HE LYS 2 15.658 7.085 2.760 20 1HZ LYS 2 1HZ LYS 2 18.576 6.864 2.381 21 2HZ LYS 2 2HZ LYS 2 17.738 8.189 2.826 22 3HZ LYS 2 3HZ LYS 2 17.812 6.910 3.854 23 H ALA 3 H ALA 3 12.535 3.568 4.483 24 HA ALA 3 HA ALA 3 9.659 4.063 4.966 25 1HB ALA 3 1HB ALA 3 9.817 1.979 6.390 26 2HB ALA 3 2HB ALA 3 9.665 1.776 4.653 27 3HB ALA 3 3HB ALA 3 11.244 1.526 5.432 28 H SER 4 H SER 4 12.436 2.782 6.493 29 HA SER 4 HA SER 4 12.954 2.256 8.428 30 1HB SER 4 1HB SER 4 12.199 5.070 9.282 31 2HB SER 4 2HB SER 4 12.800 3.799 10.369 32 HG SER 4 HG SER 4 14.639 4.551 9.820 33 H GLU 5 H GLU 5 10.190 4.202 8.603 34 HA GLU 5 HA GLU 5 8.985 3.002 10.868 35 1HB GLU 5 1HB GLU 5 6.993 4.290 10.343 36 2HB GLU 5 2HB GLU 5 8.448 5.209 9.996 37 1HG GLU 5 1HG GLU 5 8.103 4.387 7.519 38 2HG GLU 5 2HG GLU 5 6.488 3.966 8.058 39 H LEU 6 H LEU 6 8.070 2.478 7.540 40 HA LEU 6 HA LEU 6 6.252 0.292 8.006 41 1HB LEU 6 1HB LEU 6 7.683 1.533 5.597 42 2HB LEU 6 2HB LEU 6 6.699 0.105 5.363 43 HG LEU 6 HG LEU 6 5.569 2.576 6.723 44 1HD1 LEU 6 1HD1 LEU 6 5.774 2.034 3.744 45 2HD1 LEU 6 2HD1 LEU 6 4.752 3.293 4.504 46 3HD1 LEU 6 3HD1 LEU 6 6.507 3.372 4.657 47 1HD2 LEU 6 1HD2 LEU 6 4.295 0.557 6.980 48 2HD2 LEU 6 2HD2 LEU 6 3.449 1.634 5.871 49 3HD2 LEU 6 3HD2 LEU 6 4.342 0.226 5.232 50 H ARG 7 H ARG 7 9.784 0.270 7.088 51 HA ARG 7 HA ARG 7 9.628 -2.537 6.453 52 1HB ARG 7 1HB ARG 7 11.149 -0.894 5.404 53 2HB ARG 7 2HB ARG 7 11.976 -0.624 6.946 54 1HG ARG 7 1HG ARG 7 11.664 -3.443 6.010 55 2HG ARG 7 2HG ARG 7 12.731 -2.451 5.056 56 1HD ARG 7 1HD ARG 7 14.326 -2.206 6.747 57 2HD ARG 7 2HD ARG 7 13.123 -2.394 8.040 58 HE ARG 7 HE ARG 7 13.007 -4.795 6.842 59 1HH1 ARG 7 2HH2 ARG 7 15.620 -3.067 8.511 60 2HH1 ARG 7 1HH2 ARG 7 16.514 -4.536 8.828 61 1HH2 ARG 7 2HH1 ARG 7 13.849 -6.553 7.591 62 2HH2 ARG 7 1HH1 ARG 7 15.376 -6.678 8.397 63 H ASN 8 H ASN 8 9.931 -0.600 9.191 64 HA ASN 8 HA ASN 8 11.665 -2.213 10.812 65 1HB ASN 8 1HB ASN 8 10.162 0.292 11.160 66 2HB ASN 8 2HB ASN 8 10.060 -0.688 12.591 67 1HD2 ASN 8 1HD2 ASN 8 11.544 0.118 14.024 68 2HD2 ASN 8 2HD2 ASN 8 13.239 0.417 13.627 69 H TYR 9 H TYR 9 8.458 -3.034 9.933 70 HA TYR 9 HA TYR 9 7.627 -3.925 12.582 71 1HB TYR 9 1HB TYR 9 6.454 -3.670 9.835 72 2HB TYR 9 2HB TYR 9 5.757 -4.818 10.940 73 HD1 TYR 9 HD1 TYR 9 4.861 -3.874 13.215 74 HD2 TYR 9 HD2 TYR 9 6.329 -1.332 10.053 75 HE1 TYR 9 HE1 TYR 9 3.434 -2.051 14.033 76 HE2 TYR 9 HE2 TYR 9 4.972 0.516 10.895 77 HH TYR 9 HH TYR 9 2.435 0.015 13.370 78 H THR 10 H THR 10 6.710 -6.390 12.614 79 HA THR 10 HA THR 10 8.947 -8.158 11.818 80 HB THR 10 HB THR 10 7.888 -9.813 13.162 81 HG1 THR 10 HG1 THR 10 5.910 -9.856 13.112 82 1HG2 THR 10 1HG2 THR 10 7.571 -7.246 14.771 83 2HG2 THR 10 2HG2 THR 10 7.894 -8.878 15.390 84 3HG2 THR 10 3HG2 THR 10 9.129 -8.035 14.440 85 H ASP 11 H ASP 11 8.437 -9.909 10.204 86 HA ASP 11 HA ASP 11 7.109 -9.438 8.088 87 1HB ASP 11 1HB ASP 11 7.902 -12.014 9.320 88 2HB ASP 11 2HB ASP 11 6.795 -12.092 7.952 89 H GLU 12 H GLU 12 5.471 -10.801 10.879 90 HA GLU 12 HA GLU 12 3.043 -11.228 9.508 91 1HB GLU 12 1HB GLU 12 3.921 -11.039 12.387 92 2HB GLU 12 2HB GLU 12 2.198 -10.806 12.080 93 1HG GLU 12 1HG GLU 12 2.676 -13.121 12.617 94 2HG GLU 12 2HG GLU 12 1.957 -12.937 11.010 95 H GLU 13 H GLU 13 4.344 -8.467 11.273 96 HA GLU 13 HA GLU 13 1.962 -6.775 10.989 97 1HB GLU 13 1HB GLU 13 4.797 -6.432 11.952 98 2HB GLU 13 2HB GLU 13 3.734 -5.043 11.677 99 1HG GLU 13 1HG GLU 13 2.655 -7.269 13.365 100 2HG GLU 13 2HG GLU 13 4.006 -6.357 14.021 101 H LEU 14 H LEU 14 5.027 -7.355 9.252 102 HA LEU 14 HA LEU 14 5.034 -5.089 7.539 103 1HB LEU 14 1HB LEU 14 6.164 -7.900 7.167 104 2HB LEU 14 2HB LEU 14 6.135 -6.806 5.856 105 HG LEU 14 HG LEU 14 8.191 -6.375 6.322 106 1HD1 LEU 14 1HD1 LEU 14 6.926 -4.257 7.317 107 2HD1 LEU 14 2HD1 LEU 14 7.803 -4.807 8.763 108 3HD1 LEU 14 3HD1 LEU 14 8.678 -4.436 7.288 109 1HD2 LEU 14 1HD2 LEU 14 9.464 -6.637 8.304 110 2HD2 LEU 14 2HD2 LEU 14 8.027 -7.148 9.115 111 3HD2 LEU 14 3HD2 LEU 14 8.675 -8.119 7.753 112 H LYS 15 H LYS 15 3.760 -8.417 6.836 113 HA LYS 15 HA LYS 15 2.600 -7.589 4.375 114 1HB LYS 15 1HB LYS 15 1.181 -9.622 4.598 115 2HB LYS 15 2HB LYS 15 2.893 -9.965 4.915 116 1HG LYS 15 1HG LYS 15 2.385 -9.826 7.368 117 2HG LYS 15 2HG LYS 15 0.668 -9.721 6.999 118 1HD LYS 15 1HD LYS 15 2.340 -12.064 6.053 119 2HD LYS 15 2HD LYS 15 1.703 -11.962 7.697 120 1HE LYS 15 1HE LYS 15 -0.588 -11.826 6.932 121 2HE LYS 15 2HE LYS 15 -0.075 -11.769 5.241 122 1HZ LYS 15 1HZ LYS 15 -0.810 -13.977 5.944 123 2HZ LYS 15 2HZ LYS 15 0.742 -13.999 5.441 124 3HZ LYS 15 3HZ LYS 15 0.411 -14.048 7.056 125 H ASN 16 H ASN 16 1.283 -7.584 7.758 126 HA ASN 16 HA ASN 16 -1.289 -6.918 6.785 127 1HB ASN 16 1HB ASN 16 -0.560 -7.853 9.057 128 2HB ASN 16 2HB ASN 16 -0.063 -6.209 9.478 129 1HD2 ASN 16 1HD2 ASN 16 -1.830 -6.238 11.254 130 2HD2 ASN 16 2HD2 ASN 16 -3.492 -6.018 10.743 131 H LEU 17 H LEU 17 1.400 -5.023 6.615 132 HA LEU 17 HA LEU 17 -0.114 -2.407 6.557 133 1HB LEU 17 1HB LEU 17 2.786 -3.089 5.986 134 2HB LEU 17 2HB LEU 17 2.107 -1.552 5.629 135 HG LEU 17 HG LEU 17 2.386 -0.742 7.648 136 1HD1 LEU 17 1HD1 LEU 17 0.591 -2.019 8.786 137 2HD1 LEU 17 2HD1 LEU 17 1.725 -3.327 9.085 138 3HD1 LEU 17 3HD1 LEU 17 2.017 -1.748 9.809 139 1HD2 LEU 17 1HD2 LEU 17 4.516 -1.818 7.050 140 2HD2 LEU 17 2HD2 LEU 17 4.297 -1.778 8.806 141 3HD2 LEU 17 3HD2 LEU 17 4.031 -3.288 7.909 142 H LEU 18 H LEU 18 1.780 -4.668 4.607 143 HA LEU 18 HA LEU 18 1.220 -2.940 2.290 144 1HB LEU 18 1HB LEU 18 2.833 -5.381 1.854 145 2HB LEU 18 2HB LEU 18 3.029 -3.845 1.197 146 HG LEU 18 HG LEU 18 3.681 -3.753 4.046 147 1HD1 LEU 18 1HD1 LEU 18 4.078 -6.219 3.671 148 2HD1 LEU 18 2HD1 LEU 18 5.487 -5.716 2.697 149 3HD1 LEU 18 3HD1 LEU 18 5.337 -5.206 4.402 150 1HD2 LEU 18 1HD2 LEU 18 4.785 -2.185 2.594 151 2HD2 LEU 18 2HD2 LEU 18 6.036 -3.298 3.087 152 3HD2 LEU 18 3HD2 LEU 18 5.310 -3.475 1.499 153 H GLU 19 H GLU 19 0.235 -5.926 3.352 154 HA GLU 19 HA GLU 19 -1.328 -6.676 1.015 155 1HB GLU 19 1HB GLU 19 -1.652 -8.588 2.157 156 2HB GLU 19 2HB GLU 19 -0.481 -8.009 3.303 157 1HG GLU 19 1HG GLU 19 -1.976 -8.617 4.748 158 2HG GLU 19 2HG GLU 19 -2.573 -6.996 4.565 159 H GLU 20 H GLU 20 -1.971 -4.948 4.152 160 HA GLU 20 HA GLU 20 -4.652 -4.509 3.648 161 1HB GLU 20 1HB GLU 20 -3.721 -4.138 5.834 162 2HB GLU 20 2HB GLU 20 -2.684 -2.847 5.218 163 1HG GLU 20 1HG GLU 20 -4.400 -1.743 6.303 164 2HG GLU 20 2HG GLU 20 -4.821 -1.541 4.624 165 H LYS 21 H LYS 21 -1.973 -2.189 3.040 166 HA LYS 21 HA LYS 21 -3.626 -0.278 1.818 167 1HB LYS 21 1HB LYS 21 -0.649 -0.852 1.728 168 2HB LYS 21 2HB LYS 21 -1.304 0.614 1.057 169 1HG LYS 21 1HG LYS 21 -1.536 -0.308 3.960 170 2HG LYS 21 2HG LYS 21 -0.341 0.814 3.368 171 1HD LYS 21 1HD LYS 21 -3.326 1.416 3.208 172 2HD LYS 21 2HD LYS 21 -2.356 1.696 4.657 173 1HE LYS 21 1HE LYS 21 -0.773 3.069 3.313 174 2HE LYS 21 2HE LYS 21 -1.889 2.924 1.931 175 1HZ LYS 21 1HZ LYS 21 -2.257 4.989 3.289 176 2HZ LYS 21 2HZ LYS 21 -3.583 3.998 3.322 177 3HZ LYS 21 3HZ LYS 21 -2.588 4.076 4.595 178 H LYS 22 H LYS 22 -1.518 -2.795 0.176 179 HA LYS 22 HA LYS 22 -2.380 -2.491 -2.383 180 1HB LYS 22 1HB LYS 22 -0.756 -4.152 -1.803 181 2HB LYS 22 2HB LYS 22 -1.931 -5.102 -0.889 182 1HG LYS 22 1HG LYS 22 -3.107 -5.755 -2.912 183 2HG LYS 22 2HG LYS 22 -2.136 -4.663 -3.894 184 1HD LYS 22 1HD LYS 22 -0.083 -5.968 -3.125 185 2HD LYS 22 2HD LYS 22 -1.201 -7.142 -2.397 186 1HE LYS 22 1HE LYS 22 -2.210 -7.479 -4.676 187 2HE LYS 22 2HE LYS 22 -0.986 -6.395 -5.350 188 1HZ LYS 22 1HZ LYS 22 -0.585 -9.023 -4.084 189 2HZ LYS 22 2HZ LYS 22 -0.220 -8.616 -5.623 190 3HZ LYS 22 3HZ LYS 22 0.677 -8.016 -4.361 191 H ARG 23 H ARG 23 -4.263 -4.460 0.087 192 HA ARG 23 HA ARG 23 -6.330 -5.010 -1.793 193 1HB ARG 23 1HB ARG 23 -7.758 -5.693 0.012 194 2HB ARG 23 2HB ARG 23 -6.167 -6.442 0.145 195 1HG ARG 23 1HG ARG 23 -5.594 -5.030 1.957 196 2HG ARG 23 2HG ARG 23 -7.075 -4.072 1.847 197 1HD ARG 23 1HD ARG 23 -7.074 -7.051 2.406 198 2HD ARG 23 2HD ARG 23 -6.892 -5.842 3.670 199 HE ARG 23 HE ARG 23 -9.310 -6.059 1.872 200 1HH1 ARG 23 2HH2 ARG 23 -7.992 -4.767 4.930 201 2HH1 ARG 23 1HH2 ARG 23 -9.492 -5.003 5.780 202 1HH2 ARG 23 2HH1 ARG 23 -11.233 -5.873 2.784 203 2HH2 ARG 23 1HH1 ARG 23 -11.473 -5.412 4.446 204 H GLN 24 H GLN 24 -6.159 -2.465 0.752 205 HA GLN 24 HA GLN 24 -8.600 -1.361 0.411 206 1HB GLN 24 1HB GLN 24 -5.877 -0.165 1.012 207 2HB GLN 24 2HB GLN 24 -7.263 0.845 0.755 208 1HG GLN 24 1HG GLN 24 -8.299 -1.020 2.528 209 2HG GLN 24 2HG GLN 24 -6.661 -0.815 3.104 210 1HE2 GLN 24 1HE2 GLN 24 -9.192 -0.027 4.314 211 2HE2 GLN 24 2HE2 GLN 24 -9.257 1.721 4.504 212 H LEU 25 H LEU 25 -5.713 -0.481 -1.631 213 HA LEU 25 HA LEU 25 -7.148 1.425 -3.193 214 1HB LEU 25 1HB LEU 25 -4.766 1.189 -3.331 215 2HB LEU 25 2HB LEU 25 -4.932 -0.477 -3.840 216 HG LEU 25 HG LEU 25 -6.172 0.592 -5.968 217 1HD1 LEU 25 1HD1 LEU 25 -5.600 2.886 -6.437 218 2HD1 LEU 25 2HD1 LEU 25 -6.294 2.851 -4.815 219 3HD1 LEU 25 3HD1 LEU 25 -4.551 2.979 -4.993 220 1HD2 LEU 25 1HD2 LEU 25 -3.192 1.061 -5.685 221 2HD2 LEU 25 2HD2 LEU 25 -3.954 -0.493 -6.092 222 3HD2 LEU 25 3HD2 LEU 25 -4.129 0.887 -7.182 223 H MET 26 H MET 26 -6.827 -2.181 -3.831 224 HA MET 26 HA MET 26 -8.370 -2.213 -6.133 225 1HB MET 26 1HB MET 26 -6.584 -3.743 -5.502 226 2HB MET 26 2HB MET 26 -7.484 -4.255 -4.064 227 1HG MET 26 1HG MET 26 -9.247 -5.097 -5.391 228 2HG MET 26 2HG MET 26 -8.501 -4.443 -6.868 229 1HE MET 26 1HE MET 26 -8.822 -6.853 -8.082 230 2HE MET 26 2HE MET 26 -8.287 -8.379 -7.340 231 3HE MET 26 3HE MET 26 -9.591 -7.437 -6.586 232 H GLU 27 H GLU 27 -9.200 -2.314 -2.715 233 HA GLU 27 HA GLU 27 -11.899 -3.492 -3.087 234 1HB GLU 27 1HB GLU 27 -10.485 -2.209 -0.687 235 2HB GLU 27 2HB GLU 27 -12.084 -2.920 -0.612 236 1HG GLU 27 1HG GLU 27 -10.126 -4.773 -1.758 237 2HG GLU 27 2HG GLU 27 -9.627 -4.189 -0.172 238 H LEU 28 H LEU 28 -10.429 -0.388 -2.377 239 HA LEU 28 HA LEU 28 -12.800 1.163 -2.159 240 1HB LEU 28 1HB LEU 28 -9.917 1.789 -2.808 241 2HB LEU 28 2HB LEU 28 -11.110 3.034 -2.541 242 HG LEU 28 HG LEU 28 -10.245 0.984 -0.454 243 1HD1 LEU 28 1HD1 LEU 28 -9.023 2.939 0.491 244 2HD1 LEU 28 2HD1 LEU 28 -8.464 2.467 -1.126 245 3HD1 LEU 28 3HD1 LEU 28 -9.495 3.891 -0.947 246 1HD2 LEU 28 1HD2 LEU 28 -11.942 3.411 -0.002 247 2HD2 LEU 28 2HD2 LEU 28 -12.465 1.701 0.047 248 3HD2 LEU 28 3HD2 LEU 28 -11.249 2.249 1.201 249 H ARG 29 H ARG 29 -10.623 0.522 -4.909 250 HA ARG 29 HA ARG 29 -12.285 2.027 -6.759 251 1HB ARG 29 1HB ARG 29 -11.226 0.959 -8.608 252 2HB ARG 29 2HB ARG 29 -10.002 1.367 -7.396 253 1HG ARG 29 1HG ARG 29 -9.963 -0.920 -6.623 254 2HG ARG 29 2HG ARG 29 -11.176 -1.426 -7.805 255 1HD ARG 29 1HD ARG 29 -8.491 -0.198 -8.544 256 2HD ARG 29 2HD ARG 29 -8.761 -1.938 -8.357 257 HE ARG 29 HE ARG 29 -10.725 -0.913 -10.137 258 1HH1 ARG 29 2HH2 ARG 29 -7.296 -1.911 -9.986 259 2HH1 ARG 29 1HH2 ARG 29 -7.162 -2.017 -11.708 260 1HH2 ARG 29 2HH1 ARG 29 -10.528 -1.425 -12.429 261 2HH2 ARG 29 1HH1 ARG 29 -8.965 -1.901 -13.030 262 H PHE 30 H PHE 30 -12.533 -1.287 -5.480 263 HA PHE 30 HA PHE 30 -14.745 -2.023 -7.144 264 1HB PHE 30 1HB PHE 30 -13.413 -3.720 -6.027 265 2HB PHE 30 2HB PHE 30 -13.735 -3.040 -4.475 266 HD1 PHE 30 HD1 PHE 30 -15.345 -4.089 -3.121 267 HD2 PHE 30 HD2 PHE 30 -15.730 -4.317 -7.420 268 HE1 PHE 30 HE1 PHE 30 -17.401 -5.436 -2.871 269 HE2 PHE 30 HE2 PHE 30 -17.826 -5.599 -7.150 270 HZ PHE 30 HZ PHE 30 -18.663 -6.179 -4.883 271 H GLN 31 H GLN 31 -14.598 0.173 -4.178 272 HA GLN 31 HA GLN 31 -17.440 -0.098 -3.754 273 1HB GLN 31 1HB GLN 31 -15.240 1.797 -2.743 274 2HB GLN 31 2HB GLN 31 -16.931 1.989 -2.365 275 1HG GLN 31 1HG GLN 31 -16.626 -0.569 -1.554 276 2HG GLN 31 2HG GLN 31 -14.965 0.005 -1.350 277 1HE2 GLN 31 1HE2 GLN 31 -18.310 0.386 -0.307 278 2HE2 GLN 31 2HE2 GLN 31 -18.003 1.408 1.085 279 H LEU 32 H LEU 32 -15.076 2.005 -5.348 280 HA LEU 32 HA LEU 32 -16.791 4.124 -6.004 281 1HB LEU 32 1HB LEU 32 -14.233 3.911 -6.163 282 2HB LEU 32 2HB LEU 32 -14.451 3.026 -7.654 283 HG LEU 32 HG LEU 32 -13.863 5.203 -8.053 284 1HD1 LEU 32 1HD1 LEU 32 -16.741 5.230 -8.951 285 2HD1 LEU 32 2HD1 LEU 32 -15.358 6.034 -9.674 286 3HD1 LEU 32 3HD1 LEU 32 -15.448 4.267 -9.718 287 1HD2 LEU 32 1HD2 LEU 32 -14.738 6.293 -5.979 288 2HD2 LEU 32 2HD2 LEU 32 -15.317 7.191 -7.397 289 3HD2 LEU 32 3HD2 LEU 32 -16.401 6.081 -6.571 290 H ALA 33 H ALA 33 -15.794 1.411 -7.945 291 HA ALA 33 HA ALA 33 -17.542 1.875 -10.169 292 1HB ALA 33 1HB ALA 33 -16.135 -0.648 -9.214 293 2HB ALA 33 2HB ALA 33 -17.010 -0.526 -10.757 294 3HB ALA 33 3HB ALA 33 -15.589 0.495 -10.452 295 H MET 34 H MET 34 -18.372 0.661 -6.943 296 HA MET 34 HA MET 34 -20.932 -0.276 -7.963 297 1HB MET 34 1HB MET 34 -19.362 -0.599 -5.395 298 2HB MET 34 2HB MET 34 -21.098 -0.778 -5.398 299 1HG MET 34 1HG MET 34 -19.993 -2.238 -7.637 300 2HG MET 34 2HG MET 34 -19.148 -2.702 -6.166 301 1HE MET 34 1HE MET 34 -20.093 -5.179 -7.060 302 2HE MET 34 2HE MET 34 -21.827 -5.497 -7.276 303 3HE MET 34 3HE MET 34 -21.003 -4.340 -8.335 304 H GLY 35 H GLY 35 -19.427 2.581 -6.754 305 1HA GLY 35 1HA GLY 35 -20.200 4.613 -6.723 306 2HA GLY 35 2HA GLY 35 -21.904 4.065 -6.812 307 H GLN 36 H GLN 36 -19.349 3.076 -4.537 308 HA GLN 36 HA GLN 36 -21.094 3.933 -2.299 309 1HB GLN 36 1HB GLN 36 -19.050 1.723 -2.165 310 2HB GLN 36 2HB GLN 36 -20.446 1.957 -1.132 311 1HG GLN 36 1HG GLN 36 -20.643 1.253 -4.089 312 2HG GLN 36 2HG GLN 36 -20.427 0.043 -2.863 313 1HE2 GLN 36 1HE2 GLN 36 -22.301 -0.961 -2.246 314 2HE2 GLN 36 2HE2 GLN 36 -23.843 -0.142 -2.065 315 H LEU 37 H LEU 37 -17.997 4.087 -3.684 316 HA LEU 37 HA LEU 37 -16.504 5.125 -1.388 317 1HB LEU 37 1HB LEU 37 -15.588 3.900 -3.426 318 2HB LEU 37 2HB LEU 37 -15.774 5.409 -4.299 319 HG LEU 37 HG LEU 37 -14.266 5.157 -1.679 320 1HD1 LEU 37 1HD1 LEU 37 -13.101 4.704 -4.404 321 2HD1 LEU 37 2HD1 LEU 37 -12.192 4.946 -2.882 322 3HD1 LEU 37 3HD1 LEU 37 -13.293 3.586 -3.018 323 1HD2 LEU 37 1HD2 LEU 37 -14.460 7.299 -3.787 324 2HD2 LEU 37 2HD2 LEU 37 -14.242 7.457 -2.018 325 3HD2 LEU 37 3HD2 LEU 37 -12.880 7.065 -3.042 326 H LYS 38 H LYS 38 -16.250 7.276 -0.842 327 HA LYS 38 HA LYS 38 -18.032 9.311 -1.523 328 1HB LYS 38 1HB LYS 38 -15.153 9.424 -0.513 329 2HB LYS 38 2HB LYS 38 -16.086 10.880 -0.832 330 1HG LYS 38 1HG LYS 38 -16.186 10.450 1.477 331 2HG LYS 38 2HG LYS 38 -17.794 10.207 0.796 332 1HD LYS 38 1HD LYS 38 -17.574 7.792 0.964 333 2HD LYS 38 2HD LYS 38 -15.866 7.936 1.478 334 1HE LYS 38 1HE LYS 38 -16.522 9.129 3.499 335 2HE LYS 38 2HE LYS 38 -18.187 9.270 2.921 336 1HZ LYS 38 1HZ LYS 38 -18.255 6.776 3.008 337 2HZ LYS 38 2HZ LYS 38 -16.841 6.848 3.873 338 3HZ LYS 38 3HZ LYS 38 -18.178 7.589 4.449 339 H ASN 39 H ASN 39 -14.621 9.502 -2.642 340 HA ASN 39 HA ASN 39 -15.434 10.512 -5.281 341 1HB ASN 39 1HB ASN 39 -15.597 12.440 -3.775 342 2HB ASN 39 2HB ASN 39 -14.000 12.096 -3.107 343 1HD2 ASN 39 1HD2 ASN 39 -14.019 14.539 -3.771 344 2HD2 ASN 39 2HD2 ASN 39 -13.422 14.876 -5.380 345 H THR 40 H THR 40 -13.711 10.100 -6.762 346 HA THR 40 HA THR 40 -11.712 8.245 -6.097 347 HB THR 40 HB THR 40 -10.704 8.968 -8.313 348 HG1 THR 40 HG1 THR 40 -11.345 10.994 -8.729 349 1HG2 THR 40 1HG2 THR 40 -12.449 7.162 -8.027 350 2HG2 THR 40 2HG2 THR 40 -13.694 8.386 -8.368 351 3HG2 THR 40 3HG2 THR 40 -12.515 7.955 -9.602 352 H SER 41 H SER 41 -11.620 11.636 -5.391 353 HA SER 41 HA SER 41 -8.842 12.149 -5.330 354 1HB SER 41 1HB SER 41 -9.568 13.838 -3.623 355 2HB SER 41 2HB SER 41 -10.575 13.841 -5.078 356 HG SER 41 HG SER 41 -11.985 13.814 -3.436 357 H LEU 42 H LEU 42 -10.955 10.273 -3.130 358 HA LEU 42 HA LEU 42 -9.032 9.982 -1.009 359 1HB LEU 42 1HB LEU 42 -11.440 9.703 -0.686 360 2HB LEU 42 2HB LEU 42 -11.516 8.381 -1.842 361 HG LEU 42 HG LEU 42 -9.680 8.106 0.505 362 1HD1 LEU 42 1HD1 LEU 42 -11.537 7.247 1.910 363 2HD1 LEU 42 2HD1 LEU 42 -11.794 8.944 1.486 364 3HD1 LEU 42 3HD1 LEU 42 -12.700 7.676 0.641 365 1HD2 LEU 42 1HD2 LEU 42 -9.706 6.222 -1.105 366 2HD2 LEU 42 2HD2 LEU 42 -10.363 5.734 0.443 367 3HD2 LEU 42 3HD2 LEU 42 -11.469 6.077 -0.899 368 H ILE 43 H ILE 43 -9.971 8.035 -3.850 369 HA ILE 43 HA ILE 43 -8.124 5.901 -3.388 370 HB ILE 43 HB ILE 43 -9.823 6.827 -5.614 371 1HG1 ILE 43 1HG1 ILE 43 -10.353 4.951 -4.057 372 2HG1 ILE 43 2HG1 ILE 43 -10.520 4.595 -5.770 373 1HG2 ILE 43 1HG2 ILE 43 -8.623 5.423 -7.326 374 2HG2 ILE 43 2HG2 ILE 43 -7.786 6.902 -6.882 375 3HG2 ILE 43 3HG2 ILE 43 -7.230 5.358 -6.208 376 1HD1 ILE 43 1HD1 ILE 43 -8.325 3.393 -5.716 377 2HD1 ILE 43 2HD1 ILE 43 -8.278 3.660 -3.946 378 3HD1 ILE 43 3HD1 ILE 43 -9.558 2.696 -4.707 379 H LYS 44 H LYS 44 -7.718 9.088 -5.160 380 HA LYS 44 HA LYS 44 -5.164 8.566 -6.135 381 1HB LYS 44 1HB LYS 44 -6.513 10.510 -6.746 382 2HB LYS 44 2HB LYS 44 -6.386 11.194 -5.134 383 1HG LYS 44 1HG LYS 44 -3.927 10.589 -6.785 384 2HG LYS 44 2HG LYS 44 -4.869 12.058 -7.025 385 1HD LYS 44 1HD LYS 44 -3.926 13.115 -5.298 386 2HD LYS 44 2HD LYS 44 -4.328 11.831 -4.202 387 1HE LYS 44 1HE LYS 44 -1.985 12.048 -4.088 388 2HE LYS 44 2HE LYS 44 -2.258 10.585 -5.044 389 1HZ LYS 44 1HZ LYS 44 -1.524 13.263 -6.102 390 2HZ LYS 44 2HZ LYS 44 -0.581 11.943 -6.097 391 3HZ LYS 44 3HZ LYS 44 -1.908 11.982 -7.059 392 H LEU 45 H LEU 45 -6.096 9.755 -2.843 393 HA LEU 45 HA LEU 45 -3.436 10.312 -1.977 394 1HB LEU 45 1HB LEU 45 -6.185 10.047 -0.766 395 2HB LEU 45 2HB LEU 45 -4.716 10.102 0.173 396 HG LEU 45 HG LEU 45 -5.678 12.256 -1.704 397 1HD1 LEU 45 1HD1 LEU 45 -5.162 12.155 1.284 398 2HD1 LEU 45 2HD1 LEU 45 -5.846 13.541 0.398 399 3HD1 LEU 45 3HD1 LEU 45 -6.769 12.027 0.532 400 1HD2 LEU 45 1HD2 LEU 45 -3.259 12.391 -1.855 401 2HD2 LEU 45 2HD2 LEU 45 -3.746 13.583 -0.663 402 3HD2 LEU 45 3HD2 LEU 45 -3.092 12.033 -0.099 403 H THR 46 H THR 46 -5.731 7.560 -1.847 404 HA THR 46 HA THR 46 -4.096 6.002 -0.045 405 HB THR 46 HB THR 46 -6.365 5.393 -2.024 406 HG1 THR 46 HG1 THR 46 -7.070 6.756 -0.500 407 1HG2 THR 46 1HG2 THR 46 -5.591 3.252 -1.626 408 2HG2 THR 46 2HG2 THR 46 -5.042 3.668 0.040 409 3HG2 THR 46 3HG2 THR 46 -6.755 3.500 -0.312 410 H LYS 47 H LYS 47 -4.478 6.076 -3.623 411 HA LYS 47 HA LYS 47 -2.677 4.080 -4.304 412 1HB LYS 47 1HB LYS 47 -4.307 5.247 -5.853 413 2HB LYS 47 2HB LYS 47 -3.352 6.713 -5.741 414 1HG LYS 47 1HG LYS 47 -2.857 5.741 -7.834 415 2HG LYS 47 2HG LYS 47 -1.423 5.514 -6.837 416 1HD LYS 47 1HD LYS 47 -2.290 3.176 -6.296 417 2HD LYS 47 2HD LYS 47 -3.592 3.455 -7.459 418 1HE LYS 47 1HE LYS 47 -0.592 3.442 -8.071 419 2HE LYS 47 2HE LYS 47 -1.727 2.123 -8.358 420 1HZ LYS 47 1HZ LYS 47 -1.460 3.217 -10.374 421 2HZ LYS 47 2HZ LYS 47 -2.941 3.661 -9.869 422 3HZ LYS 47 3HZ LYS 47 -1.675 4.715 -9.733 423 H ARG 48 H ARG 48 -1.894 7.548 -3.703 424 HA ARG 48 HA ARG 48 0.834 7.336 -4.540 425 1HB ARG 48 1HB ARG 48 1.078 9.451 -3.665 426 2HB ARG 48 2HB ARG 48 -0.691 9.346 -3.744 427 1HG ARG 48 1HG ARG 48 -0.481 8.604 -1.231 428 2HG ARG 48 2HG ARG 48 1.124 9.260 -1.316 429 1HD ARG 48 1HD ARG 48 -1.229 10.956 -2.230 430 2HD ARG 48 2HD ARG 48 -0.973 10.660 -0.501 431 HE ARG 48 HE ARG 48 1.490 11.424 -1.674 432 1HH1 ARG 48 2HH2 ARG 48 -1.548 13.024 -0.636 433 2HH1 ARG 48 1HH2 ARG 48 -0.727 14.222 0.263 434 1HH2 ARG 48 2HH1 ARG 48 2.513 12.958 -0.597 435 2HH2 ARG 48 1HH1 ARG 48 1.656 14.190 0.307 436 H ASP 49 H ASP 49 -0.733 6.444 -1.512 437 HA ASP 49 HA ASP 49 1.856 5.743 -0.341 438 1HB ASP 49 1HB ASP 49 -0.889 6.333 0.583 439 2HB ASP 49 2HB ASP 49 -0.107 5.116 1.512 440 H ILE 50 H ILE 50 -0.880 4.158 -1.881 441 HA ILE 50 HA ILE 50 -0.002 1.492 -1.042 442 HB ILE 50 HB ILE 50 -1.816 2.448 -3.258 443 1HG1 ILE 50 1HG1 ILE 50 -3.076 0.441 -2.276 444 2HG1 ILE 50 2HG1 ILE 50 -1.770 0.285 -1.116 445 1HG2 ILE 50 1HG2 ILE 50 -0.463 0.883 -4.585 446 2HG2 ILE 50 2HG2 ILE 50 -0.513 -0.304 -3.251 447 3HG2 ILE 50 3HG2 ILE 50 -1.976 0.085 -4.141 448 1HD1 ILE 50 1HD1 ILE 50 -3.783 1.533 -0.273 449 2HD1 ILE 50 2HD1 ILE 50 -2.304 2.485 -0.184 450 3HD1 ILE 50 3HD1 ILE 50 -3.434 2.760 -1.554 451 H ALA 51 H ALA 51 0.712 3.541 -3.899 452 HA ALA 51 HA ALA 51 2.649 1.639 -4.798 453 1HB ALA 51 1HB ALA 51 3.128 3.403 -6.488 454 2HB ALA 51 2HB ALA 51 1.364 3.344 -6.194 455 3HB ALA 51 3HB ALA 51 2.339 4.625 -5.453 456 H ARG 52 H ARG 52 2.800 3.703 -2.146 457 HA ARG 52 HA ARG 52 5.757 3.594 -2.058 458 1HB ARG 52 1HB ARG 52 4.497 5.620 -1.278 459 2HB ARG 52 2HB ARG 52 3.821 4.675 0.041 460 1HG ARG 52 1HG ARG 52 6.826 4.770 -0.305 461 2HG ARG 52 2HG ARG 52 5.987 6.196 0.282 462 1HD ARG 52 1HD ARG 52 4.920 4.060 1.830 463 2HD ARG 52 2HD ARG 52 6.641 3.713 1.680 464 HE ARG 52 HE ARG 52 7.026 5.390 3.221 465 1HH1 ARG 52 2HH2 ARG 52 3.828 6.219 1.765 466 2HH1 ARG 52 1HH2 ARG 52 3.670 7.601 2.771 467 1HH2 ARG 52 2HH1 ARG 52 6.777 7.252 4.361 468 2HH2 ARG 52 1HH1 ARG 52 5.479 8.372 4.069 469 H ILE 53 H ILE 53 3.017 2.372 0.105 470 HA ILE 53 HA ILE 53 4.727 0.551 1.490 471 HB ILE 53 HB ILE 53 1.703 0.697 1.115 472 1HG1 ILE 53 1HG1 ILE 53 2.114 1.169 3.757 473 2HG1 ILE 53 2HG1 ILE 53 3.655 1.747 3.164 474 1HG2 ILE 53 1HG2 ILE 53 3.194 -0.869 3.242 475 2HG2 ILE 53 2HG2 ILE 53 1.474 -0.866 2.880 476 3HG2 ILE 53 3HG2 ILE 53 2.630 -1.639 1.755 477 1HD1 ILE 53 1HD1 ILE 53 0.991 2.767 2.193 478 2HD1 ILE 53 2HD1 ILE 53 1.849 3.447 3.587 479 3HD1 ILE 53 3HD1 ILE 53 2.607 3.531 1.997 480 H LYS 54 H LYS 54 2.520 -0.095 -1.287 481 HA LYS 54 HA LYS 54 3.192 -2.806 -1.210 482 1HB LYS 54 1HB LYS 54 1.896 -3.028 -3.192 483 2HB LYS 54 2HB LYS 54 1.153 -1.708 -2.398 484 1HG LYS 54 1HG LYS 54 1.341 -0.893 -4.577 485 2HG LYS 54 2HG LYS 54 2.921 -0.340 -4.020 486 1HD LYS 54 1HD LYS 54 4.067 -2.103 -5.086 487 2HD LYS 54 2HD LYS 54 2.571 -3.047 -5.320 488 1HE LYS 54 1HE LYS 54 1.756 -1.085 -6.788 489 2HE LYS 54 2HE LYS 54 3.410 -0.473 -6.716 490 1HZ LYS 54 1HZ LYS 54 2.515 -3.037 -7.882 491 2HZ LYS 54 2HZ LYS 54 3.185 -1.756 -8.670 492 3HZ LYS 54 3HZ LYS 54 4.084 -2.682 -7.656 493 H THR 55 H THR 55 4.831 -0.102 -2.635 494 HA THR 55 HA THR 55 6.760 -1.557 -4.176 495 HB THR 55 HB THR 55 6.379 1.216 -3.166 496 HG1 THR 55 HG1 THR 55 5.700 1.565 -5.045 497 1HG2 THR 55 1HG2 THR 55 8.265 1.992 -4.583 498 2HG2 THR 55 2HG2 THR 55 8.796 1.063 -3.178 499 3HG2 THR 55 3HG2 THR 55 8.776 0.297 -4.789 500 H ILE 56 H ILE 56 6.621 -0.660 -0.649 501 HA ILE 56 HA ILE 56 9.375 -1.218 -0.089 502 HB ILE 56 HB ILE 56 6.894 -1.475 1.572 503 1HG1 ILE 56 1HG1 ILE 56 7.903 0.798 0.795 504 2HG1 ILE 56 2HG1 ILE 56 7.394 0.526 2.435 505 1HG2 ILE 56 1HG2 ILE 56 8.344 -1.731 3.568 506 2HG2 ILE 56 2HG2 ILE 56 8.338 -3.143 2.523 507 3HG2 ILE 56 3HG2 ILE 56 9.728 -2.048 2.485 508 1HD1 ILE 56 1HD1 ILE 56 9.508 1.768 2.341 509 2HD1 ILE 56 2HD1 ILE 56 9.685 0.233 3.207 510 3HD1 ILE 56 3HD1 ILE 56 10.275 0.388 1.525 511 H LEU 57 H LEU 57 6.459 -3.328 -0.329 512 HA LEU 57 HA LEU 57 7.937 -5.787 0.195 513 1HB LEU 57 1HB LEU 57 5.384 -5.371 0.336 514 2HB LEU 57 2HB LEU 57 5.361 -5.717 -1.384 515 HG LEU 57 HG LEU 57 6.761 -7.592 0.572 516 1HD1 LEU 57 1HD1 LEU 57 4.547 -7.402 1.612 517 2HD1 LEU 57 2HD1 LEU 57 3.772 -7.539 0.012 518 3HD1 LEU 57 3HD1 LEU 57 4.630 -8.911 0.739 519 1HD2 LEU 57 1HD2 LEU 57 7.178 -8.045 -1.698 520 2HD2 LEU 57 2HD2 LEU 57 6.110 -9.302 -1.093 521 3HD2 LEU 57 3HD2 LEU 57 5.446 -8.010 -2.123 522 H ARG 58 H ARG 58 7.170 -3.987 -2.816 523 HA ARG 58 HA ARG 58 8.212 -5.877 -4.650 524 1HB ARG 58 1HB ARG 58 7.030 -3.506 -4.960 525 2HB ARG 58 2HB ARG 58 8.679 -2.941 -5.136 526 1HG ARG 58 1HG ARG 58 7.200 -4.957 -6.827 527 2HG ARG 58 2HG ARG 58 7.811 -3.370 -7.307 528 1HD ARG 58 1HD ARG 58 10.174 -4.489 -6.748 529 2HD ARG 58 2HD ARG 58 9.252 -5.980 -6.878 530 HE ARG 58 HE ARG 58 9.505 -3.913 -9.033 531 1HH1 ARG 58 2HH2 ARG 58 9.190 -7.460 -8.237 532 2HH1 ARG 58 1HH2 ARG 58 9.937 -7.859 -9.756 533 1HH2 ARG 58 2HH1 ARG 58 10.169 -4.626 -11.046 534 2HH2 ARG 58 1HH1 ARG 58 10.360 -6.312 -11.390 535 H GLU 59 H GLU 59 9.795 -3.150 -3.107 536 HA GLU 59 HA GLU 59 12.388 -3.568 -4.144 537 1HB GLU 59 1HB GLU 59 11.361 -2.172 -1.637 538 2HB GLU 59 2HB GLU 59 13.012 -1.991 -2.194 539 1HG GLU 59 1HG GLU 59 10.683 -1.432 -4.056 540 2HG GLU 59 2HG GLU 59 11.272 -0.206 -2.885 541 H ARG 60 H ARG 60 10.736 -5.324 -1.676 542 HA ARG 60 HA ARG 60 13.267 -6.590 -0.775 543 1HB ARG 60 1HB ARG 60 10.435 -6.827 0.284 544 2HB ARG 60 2HB ARG 60 11.829 -7.684 0.950 545 1HG ARG 60 1HG ARG 60 12.917 -5.561 1.545 546 2HG ARG 60 2HG ARG 60 11.610 -4.644 0.840 547 1HD ARG 60 1HD ARG 60 11.762 -6.019 3.466 548 2HD ARG 60 2HD ARG 60 11.008 -4.499 3.011 549 HE ARG 60 HE ARG 60 9.051 -5.575 2.373 550 1HH1 ARG 60 2HH2 ARG 60 11.433 -7.940 3.601 551 2HH1 ARG 60 1HH2 ARG 60 10.251 -9.150 3.967 552 1HH2 ARG 60 2HH1 ARG 60 7.461 -7.328 2.802 553 2HH2 ARG 60 1HH1 ARG 60 8.095 -8.876 3.260 554 H GLU 61 H GLU 61 10.913 -7.168 -3.220 555 HA GLU 61 HA GLU 61 10.828 -10.038 -3.018 556 1HB GLU 61 1HB GLU 61 10.533 -8.225 -5.414 557 2HB GLU 61 2HB GLU 61 10.143 -9.938 -5.383 558 1HG GLU 61 1HG GLU 61 8.167 -9.448 -4.022 559 2HG GLU 61 2HG GLU 61 8.656 -7.776 -3.883 560 H LEU 62 H LEU 62 12.690 -7.582 -4.950 561 HA LEU 62 HA LEU 62 14.684 -9.570 -5.649 562 1HB LEU 62 1HB LEU 62 14.950 -6.794 -6.641 563 2HB LEU 62 2HB LEU 62 15.123 -8.321 -7.443 564 HG LEU 62 HG LEU 62 13.400 -7.167 -8.476 565 1HD1 LEU 62 1HD1 LEU 62 13.028 -9.619 -8.064 566 2HD1 LEU 62 2HD1 LEU 62 11.891 -9.129 -6.771 567 3HD1 LEU 62 3HD1 LEU 62 11.578 -8.678 -8.438 568 1HD2 LEU 62 1HD2 LEU 62 12.727 -5.982 -6.024 569 2HD2 LEU 62 2HD2 LEU 62 12.151 -5.636 -7.660 570 3HD2 LEU 62 3HD2 LEU 62 11.292 -6.789 -6.693 571 H GLY 63 H GLY 63 14.437 -7.095 -3.265 572 1HA GLY 63 1HA GLY 63 16.011 -6.314 -1.754 573 2HA GLY 63 2HA GLY 63 17.231 -7.340 -2.519 574 H ILE 64 H ILE 64 15.184 -4.489 -3.416 575 HA ILE 64 HA ILE 64 17.316 -3.248 -4.941 576 HB ILE 64 HB ILE 64 14.363 -2.721 -4.625 577 1HG1 ILE 64 1HG1 ILE 64 16.031 -4.170 -6.719 578 2HG1 ILE 64 2HG1 ILE 64 14.712 -4.813 -5.743 579 1HG2 ILE 64 1HG2 ILE 64 15.755 -0.721 -5.197 580 2HG2 ILE 64 2HG2 ILE 64 16.287 -1.582 -6.670 581 3HG2 ILE 64 3HG2 ILE 64 14.563 -1.165 -6.387 582 1HD1 ILE 64 1HD1 ILE 64 14.421 -2.783 -7.984 583 2HD1 ILE 64 2HD1 ILE 64 14.035 -4.491 -8.064 584 3HD1 ILE 64 3HD1 ILE 64 13.098 -3.438 -6.975 585 H ARG 65 H ARG 65 14.969 -1.591 -3.010 586 HA ARG 65 HA ARG 65 17.170 -0.335 -1.399 587 1HB ARG 65 1HB ARG 65 14.227 0.457 -1.670 588 2HB ARG 65 2HB ARG 65 15.399 1.360 -0.722 589 1HG ARG 65 1HG ARG 65 15.758 0.998 -3.692 590 2HG ARG 65 2HG ARG 65 14.720 2.242 -3.002 591 1HD ARG 65 1HD ARG 65 16.626 3.219 -1.794 592 2HD ARG 65 2HD ARG 65 17.662 1.859 -2.239 593 HE ARG 65 HE ARG 65 16.485 3.814 -4.171 594 1HH1 ARG 65 2HH2 ARG 65 19.261 1.615 -3.419 595 2HH1 ARG 65 1HH2 ARG 65 20.010 1.980 -4.919 596 1HH2 ARG 65 2HH1 ARG 65 17.444 4.138 -6.055 597 2HH2 ARG 65 1HH1 ARG 65 18.937 3.341 -6.499 598 H ARG 66 H ARG 66 15.754 -2.958 -1.088 599 HA ARG 66 HA ARG 66 14.593 -4.221 0.329 600 1HB ARG 66 1HB ARG 66 15.796 -4.824 2.259 601 2HB ARG 66 2HB ARG 66 16.981 -4.194 1.111 602 1HG ARG 66 1HG ARG 66 16.420 -1.937 2.604 603 2HG ARG 66 2HG ARG 66 16.196 -3.182 3.807 604 1HD ARG 66 1HD ARG 66 18.670 -3.005 2.035 605 2HD ARG 66 2HD ARG 66 18.516 -2.112 3.553 606 HE ARG 66 HE ARG 66 17.875 -4.693 4.263 607 1HH1 ARG 66 2HH2 ARG 66 20.695 -3.442 2.530 608 2HH1 ARG 66 1HH2 ARG 66 21.851 -4.331 3.451 609 1HH2 ARG 66 2HH1 ARG 66 19.348 -6.034 5.341 610 2HH2 ARG 66 1HH1 ARG 66 21.040 -5.958 4.955 Start of MODEL 7 1 1H MET 1 1H MET 1 12.616 10.421 0.510 2 HA MET 1 HA MET 1 10.337 10.408 1.148 3 1HB MET 1 1HB MET 1 9.669 9.388 -1.147 4 2HB MET 1 2HB MET 1 9.908 7.816 -0.375 5 1HG MET 1 1HG MET 1 7.552 8.566 -0.178 6 2HG MET 1 2HG MET 1 8.332 8.415 1.402 7 1HE MET 1 1HE MET 1 6.424 11.375 2.670 8 2HE MET 1 2HE MET 1 5.875 9.854 1.930 9 3HE MET 1 3HE MET 1 7.269 9.861 3.034 10 H LYS 2 H LYS 2 12.021 7.245 0.631 11 HA LYS 2 HA LYS 2 12.701 5.650 2.007 12 1HB LYS 2 1HB LYS 2 12.899 7.836 4.126 13 2HB LYS 2 2HB LYS 2 13.687 6.256 4.185 14 1HG LYS 2 1HG LYS 2 14.999 6.794 2.144 15 2HG LYS 2 2HG LYS 2 14.168 8.336 2.008 16 1HD LYS 2 1HD LYS 2 16.168 8.939 2.882 17 2HD LYS 2 2HD LYS 2 15.106 8.956 4.287 18 1HE LYS 2 1HE LYS 2 16.106 6.984 5.169 19 2HE LYS 2 2HE LYS 2 16.832 6.542 3.613 20 1HZ LYS 2 1HZ LYS 2 18.360 8.339 3.794 21 2HZ LYS 2 2HZ LYS 2 17.595 8.994 5.073 22 3HZ LYS 2 3HZ LYS 2 18.423 7.566 5.238 23 H ALA 3 H ALA 3 12.216 4.763 4.517 24 HA ALA 3 HA ALA 3 9.296 4.802 4.916 25 1HB ALA 3 1HB ALA 3 9.499 2.705 3.939 26 2HB ALA 3 2HB ALA 3 11.124 2.400 4.587 27 3HB ALA 3 3HB ALA 3 9.736 2.342 5.670 28 H SER 4 H SER 4 12.024 3.229 6.375 29 HA SER 4 HA SER 4 12.832 2.995 8.413 30 1HB SER 4 1HB SER 4 11.376 5.371 9.575 31 2HB SER 4 2HB SER 4 12.954 4.703 10.004 32 HG SER 4 HG SER 4 12.145 6.407 7.935 33 H GLU 5 H GLU 5 9.632 4.339 8.513 34 HA GLU 5 HA GLU 5 8.763 2.575 10.666 35 1HB GLU 5 1HB GLU 5 6.497 3.526 10.299 36 2HB GLU 5 2HB GLU 5 7.779 4.703 10.564 37 1HG GLU 5 1HG GLU 5 7.866 5.256 8.194 38 2HG GLU 5 2HG GLU 5 6.598 4.080 7.845 39 H LEU 6 H LEU 6 8.022 2.692 7.213 40 HA LEU 6 HA LEU 6 6.430 0.260 7.269 41 1HB LEU 6 1HB LEU 6 7.651 2.034 5.121 42 2HB LEU 6 2HB LEU 6 6.917 0.519 4.693 43 HG LEU 6 HG LEU 6 5.443 2.554 6.433 44 1HD1 LEU 6 1HD1 LEU 6 5.772 2.648 3.413 45 2HD1 LEU 6 2HD1 LEU 6 4.488 3.501 4.310 46 3HD1 LEU 6 3HD1 LEU 6 6.173 3.891 4.619 47 1HD2 LEU 6 1HD2 LEU 6 4.493 0.387 4.517 48 2HD2 LEU 6 2HD2 LEU 6 4.413 0.353 6.281 49 3HD2 LEU 6 3HD2 LEU 6 3.438 1.525 5.393 50 H ARG 7 H ARG 7 9.890 0.645 7.168 51 HA ARG 7 HA ARG 7 10.134 -2.217 6.559 52 1HB ARG 7 1HB ARG 7 12.374 -1.779 6.258 53 2HB ARG 7 2HB ARG 7 11.498 -0.630 5.282 54 1HG ARG 7 1HG ARG 7 13.354 0.489 6.044 55 2HG ARG 7 2HG ARG 7 12.063 1.109 7.056 56 1HD ARG 7 1HD ARG 7 12.941 0.044 8.997 57 2HD ARG 7 2HD ARG 7 13.722 -1.226 8.032 58 HE ARG 7 HE ARG 7 14.778 1.488 7.644 59 1HH1 ARG 7 2HH2 ARG 7 15.157 -1.400 9.640 60 2HH1 ARG 7 1HH2 ARG 7 16.891 -1.463 9.459 61 1HH2 ARG 7 2HH1 ARG 7 16.997 1.679 7.774 62 2HH2 ARG 7 1HH1 ARG 7 17.934 0.501 8.654 63 H ASN 8 H ASN 8 9.660 -0.256 9.163 64 HA ASN 8 HA ASN 8 11.432 -1.359 11.164 65 1HB ASN 8 1HB ASN 8 10.208 0.704 11.683 66 2HB ASN 8 2HB ASN 8 8.657 -0.131 11.516 67 1HD2 ASN 8 1HD2 ASN 8 7.778 -1.351 13.294 68 2HD2 ASN 8 2HD2 ASN 8 8.672 -1.576 14.753 69 H TYR 9 H TYR 9 8.171 -2.257 9.999 70 HA TYR 9 HA TYR 9 7.363 -3.584 12.138 71 1HB TYR 9 1HB TYR 9 6.516 -3.642 9.275 72 2HB TYR 9 2HB TYR 9 5.652 -4.518 10.496 73 HD1 TYR 9 HD1 TYR 9 5.745 -1.658 8.612 74 HD2 TYR 9 HD2 TYR 9 5.137 -2.921 12.672 75 HE1 TYR 9 HE1 TYR 9 4.465 0.434 9.050 76 HE2 TYR 9 HE2 TYR 9 3.842 -0.872 13.142 77 HH TYR 9 HH TYR 9 3.307 1.685 10.644 78 H THR 10 H THR 10 6.838 -5.937 12.573 79 HA THR 10 HA THR 10 9.081 -7.653 12.030 80 HB THR 10 HB THR 10 7.603 -9.442 12.725 81 HG1 THR 10 HG1 THR 10 5.483 -8.686 13.679 82 1HG2 THR 10 1HG2 THR 10 8.799 -8.087 14.471 83 2HG2 THR 10 2HG2 THR 10 7.374 -7.038 14.620 84 3HG2 THR 10 3HG2 THR 10 7.278 -8.741 15.099 85 H ASP 11 H ASP 11 8.936 -9.710 10.732 86 HA ASP 11 HA ASP 11 8.356 -9.393 8.047 87 1HB ASP 11 1HB ASP 11 9.123 -11.505 9.792 88 2HB ASP 11 2HB ASP 11 7.802 -12.039 8.746 89 H GLU 12 H GLU 12 6.059 -10.304 10.575 90 HA GLU 12 HA GLU 12 3.960 -10.933 8.632 91 1HB GLU 12 1HB GLU 12 4.285 -11.185 11.621 92 2HB GLU 12 2HB GLU 12 2.720 -11.437 10.826 93 1HG GLU 12 1HG GLU 12 3.561 -13.181 9.416 94 2HG GLU 12 2HG GLU 12 5.236 -12.847 9.836 95 H GLU 13 H GLU 13 4.701 -8.373 11.133 96 HA GLU 13 HA GLU 13 2.223 -6.975 10.648 97 1HB GLU 13 1HB GLU 13 4.931 -6.146 11.773 98 2HB GLU 13 2HB GLU 13 3.681 -4.972 11.394 99 1HG GLU 13 1HG GLU 13 2.163 -6.493 12.923 100 2HG GLU 13 2HG GLU 13 3.720 -6.993 13.585 101 H LEU 14 H LEU 14 5.365 -6.981 9.010 102 HA LEU 14 HA LEU 14 4.975 -4.714 7.340 103 1HB LEU 14 1HB LEU 14 6.510 -7.319 6.842 104 2HB LEU 14 2HB LEU 14 6.639 -5.912 5.797 105 HG LEU 14 HG LEU 14 7.233 -5.669 8.728 106 1HD1 LEU 14 1HD1 LEU 14 8.637 -7.479 8.325 107 2HD1 LEU 14 2HD1 LEU 14 9.047 -6.922 6.679 108 3HD1 LEU 14 3HD1 LEU 14 9.687 -6.101 8.121 109 1HD2 LEU 14 1HD2 LEU 14 8.712 -4.237 6.550 110 2HD2 LEU 14 2HD2 LEU 14 7.165 -3.654 7.211 111 3HD2 LEU 14 3HD2 LEU 14 8.526 -3.881 8.316 112 H LYS 15 H LYS 15 4.502 -8.196 6.430 113 HA LYS 15 HA LYS 15 3.304 -7.548 3.971 114 1HB LYS 15 1HB LYS 15 2.374 -9.840 4.008 115 2HB LYS 15 2HB LYS 15 4.120 -9.705 4.186 116 1HG LYS 15 1HG LYS 15 3.795 -11.303 5.772 117 2HG LYS 15 2HG LYS 15 3.568 -9.887 6.772 118 1HD LYS 15 1HD LYS 15 1.621 -10.917 7.418 119 2HD LYS 15 2HD LYS 15 0.974 -10.318 5.904 120 1HE LYS 15 1HE LYS 15 0.429 -12.575 5.802 121 2HE LYS 15 2HE LYS 15 1.918 -12.505 4.846 122 1HZ LYS 15 1HZ LYS 15 2.211 -14.295 6.300 123 2HZ LYS 15 2HZ LYS 15 3.018 -13.123 7.093 124 3HZ LYS 15 3HZ LYS 15 1.503 -13.548 7.562 125 H ASN 16 H ASN 16 1.870 -8.033 7.218 126 HA ASN 16 HA ASN 16 -0.803 -7.928 6.227 127 1HB ASN 16 1HB ASN 16 -0.024 -8.959 8.398 128 2HB ASN 16 2HB ASN 16 0.338 -7.336 9.002 129 1HD2 ASN 16 1HD2 ASN 16 -1.221 -7.475 10.811 130 2HD2 ASN 16 2HD2 ASN 16 -2.920 -7.499 10.466 131 H LEU 17 H LEU 17 1.420 -5.478 6.312 132 HA LEU 17 HA LEU 17 -0.685 -3.333 6.480 133 1HB LEU 17 1HB LEU 17 2.173 -3.440 7.268 134 2HB LEU 17 2HB LEU 17 1.857 -2.141 6.160 135 HG LEU 17 HG LEU 17 1.724 -1.550 8.549 136 1HD1 LEU 17 1HD1 LEU 17 -0.834 -1.057 6.962 137 2HD1 LEU 17 2HD1 LEU 17 -0.161 -0.037 8.249 138 3HD1 LEU 17 3HD1 LEU 17 0.708 -0.209 6.718 139 1HD2 LEU 17 1HD2 LEU 17 -0.230 -2.091 9.887 140 2HD2 LEU 17 2HD2 LEU 17 -0.933 -3.043 8.580 141 3HD2 LEU 17 3HD2 LEU 17 0.555 -3.594 9.365 142 H LEU 18 H LEU 18 1.950 -4.735 4.583 143 HA LEU 18 HA LEU 18 1.472 -2.743 2.521 144 1HB LEU 18 1HB LEU 18 3.168 -5.147 1.894 145 2HB LEU 18 2HB LEU 18 3.356 -3.507 1.366 146 HG LEU 18 HG LEU 18 4.240 -4.861 3.857 147 1HD1 LEU 18 1HD1 LEU 18 5.702 -3.221 1.878 148 2HD1 LEU 18 2HD1 LEU 18 6.358 -3.555 3.501 149 3HD1 LEU 18 3HD1 LEU 18 5.972 -4.896 2.453 150 1HD2 LEU 18 1HD2 LEU 18 3.067 -2.397 4.318 151 2HD2 LEU 18 2HD2 LEU 18 4.305 -3.148 5.295 152 3HD2 LEU 18 3HD2 LEU 18 4.747 -1.949 4.046 153 H GLU 19 H GLU 19 0.619 -6.036 3.033 154 HA GLU 19 HA GLU 19 -0.825 -6.461 0.605 155 1HB GLU 19 1HB GLU 19 -1.685 -8.315 1.625 156 2HB GLU 19 2HB GLU 19 -0.178 -8.076 2.512 157 1HG GLU 19 1HG GLU 19 -1.415 -7.037 4.366 158 2HG GLU 19 2HG GLU 19 -2.938 -7.326 3.514 159 H GLU 20 H GLU 20 -1.741 -4.818 3.695 160 HA GLU 20 HA GLU 20 -4.456 -4.629 3.021 161 1HB GLU 20 1HB GLU 20 -3.596 -4.488 5.315 162 2HB GLU 20 2HB GLU 20 -2.943 -2.881 4.977 163 1HG GLU 20 1HG GLU 20 -5.147 -2.819 6.150 164 2HG GLU 20 2HG GLU 20 -5.170 -1.984 4.603 165 H LYS 21 H LYS 21 -1.844 -2.088 2.717 166 HA LYS 21 HA LYS 21 -3.367 -0.169 1.431 167 1HB LYS 21 1HB LYS 21 -0.428 -0.983 1.227 168 2HB LYS 21 2HB LYS 21 -1.018 0.541 0.631 169 1HG LYS 21 1HG LYS 21 -1.105 -0.365 3.531 170 2HG LYS 21 2HG LYS 21 0.052 0.737 2.835 171 1HD LYS 21 1HD LYS 21 -2.827 1.581 2.632 172 2HD LYS 21 2HD LYS 21 -2.069 1.507 4.229 173 1HE LYS 21 1HE LYS 21 -0.088 2.757 3.249 174 2HE LYS 21 2HE LYS 21 -1.094 3.120 1.843 175 1HZ LYS 21 1HZ LYS 21 -2.208 3.696 4.502 176 2HZ LYS 21 2HZ LYS 21 -0.970 4.639 4.053 177 3HZ LYS 21 3HZ LYS 21 -2.358 4.578 3.165 178 H LYS 22 H LYS 22 -1.217 -2.652 -0.159 179 HA LYS 22 HA LYS 22 -2.106 -1.998 -2.711 180 1HB LYS 22 1HB LYS 22 -1.132 -3.861 -3.607 181 2HB LYS 22 2HB LYS 22 -0.167 -3.339 -2.244 182 1HG LYS 22 1HG LYS 22 -0.046 -5.571 -2.043 183 2HG LYS 22 2HG LYS 22 -1.359 -5.218 -0.940 184 1HD LYS 22 1HD LYS 22 -2.957 -6.295 -2.272 185 2HD LYS 22 2HD LYS 22 -2.099 -5.905 -3.774 186 1HE LYS 22 1HE LYS 22 -0.227 -7.486 -2.790 187 2HE LYS 22 2HE LYS 22 -1.528 -8.108 -1.767 188 1HZ LYS 22 1HZ LYS 22 -1.559 -8.054 -4.744 189 2HZ LYS 22 2HZ LYS 22 -1.186 -9.329 -3.808 190 3HZ LYS 22 3HZ LYS 22 -2.695 -8.767 -3.749 191 H ARG 23 H ARG 23 -3.893 -4.270 -0.469 192 HA ARG 23 HA ARG 23 -5.834 -4.868 -2.543 193 1HB ARG 23 1HB ARG 23 -7.234 -5.824 -0.888 194 2HB ARG 23 2HB ARG 23 -5.574 -6.386 -0.637 195 1HG ARG 23 1HG ARG 23 -5.377 -4.868 1.232 196 2HG ARG 23 2HG ARG 23 -7.031 -4.283 1.060 197 1HD ARG 23 1HD ARG 23 -6.237 -7.168 1.622 198 2HD ARG 23 2HD ARG 23 -6.609 -5.978 2.861 199 HE ARG 23 HE ARG 23 -8.827 -5.885 1.222 200 1HH1 ARG 23 2HH2 ARG 23 -7.276 -7.992 3.555 201 2HH1 ARG 23 1HH2 ARG 23 -8.680 -8.893 3.960 202 1HH2 ARG 23 2HH1 ARG 23 -10.725 -7.059 1.658 203 2HH2 ARG 23 1HH1 ARG 23 -10.762 -8.291 2.858 204 H GLN 24 H GLN 24 -5.862 -2.538 0.223 205 HA GLN 24 HA GLN 24 -8.331 -1.504 0.045 206 1HB GLN 24 1HB GLN 24 -5.657 -0.317 0.736 207 2HB GLN 24 2HB GLN 24 -7.033 0.731 0.570 208 1HG GLN 24 1HG GLN 24 -7.938 -1.447 2.150 209 2HG GLN 24 2HG GLN 24 -6.361 -0.967 2.761 210 1HE2 GLN 24 1HE2 GLN 24 -9.729 -0.133 2.537 211 2HE2 GLN 24 2HE2 GLN 24 -9.609 1.282 3.581 212 H LEU 25 H LEU 25 -5.516 -0.462 -1.923 213 HA LEU 25 HA LEU 25 -6.760 1.561 -3.447 214 1HB LEU 25 1HB LEU 25 -4.450 1.152 -3.776 215 2HB LEU 25 2HB LEU 25 -4.703 -0.558 -4.114 216 HG LEU 25 HG LEU 25 -5.824 0.119 -6.307 217 1HD1 LEU 25 1HD1 LEU 25 -4.943 2.859 -5.309 218 2HD1 LEU 25 2HD1 LEU 25 -5.502 2.519 -6.980 219 3HD1 LEU 25 3HD1 LEU 25 -6.600 2.352 -5.631 220 1HD2 LEU 25 1HD2 LEU 25 -3.038 1.273 -6.038 221 2HD2 LEU 25 2HD2 LEU 25 -3.410 -0.462 -6.165 222 3HD2 LEU 25 3HD2 LEU 25 -3.825 0.607 -7.491 223 H MET 26 H MET 26 -6.659 -1.919 -4.175 224 HA MET 26 HA MET 26 -8.459 -1.696 -6.433 225 1HB MET 26 1HB MET 26 -7.554 -4.120 -4.857 226 2HB MET 26 2HB MET 26 -8.417 -4.155 -6.400 227 1HG MET 26 1HG MET 26 -6.559 -2.715 -7.359 228 2HG MET 26 2HG MET 26 -5.651 -3.005 -5.867 229 1HE MET 26 1HE MET 26 -3.617 -3.850 -7.516 230 2HE MET 26 2HE MET 26 -3.917 -5.033 -8.813 231 3HE MET 26 3HE MET 26 -4.728 -3.456 -8.853 232 H GLU 27 H GLU 27 -9.119 -1.913 -2.984 233 HA GLU 27 HA GLU 27 -11.769 -3.157 -3.302 234 1HB GLU 27 1HB GLU 27 -11.014 -3.912 -1.324 235 2HB GLU 27 2HB GLU 27 -9.763 -2.692 -1.202 236 1HG GLU 27 1HG GLU 27 -11.448 -1.066 -0.416 237 2HG GLU 27 2HG GLU 27 -12.636 -2.374 -0.297 238 H LEU 28 H LEU 28 -10.241 -0.046 -2.550 239 HA LEU 28 HA LEU 28 -12.596 1.458 -2.147 240 1HB LEU 28 1HB LEU 28 -9.728 2.032 -2.885 241 2HB LEU 28 2HB LEU 28 -10.913 3.301 -3.034 242 HG LEU 28 HG LEU 28 -11.296 3.520 -0.775 243 1HD1 LEU 28 1HD1 LEU 28 -11.621 1.107 -0.164 244 2HD1 LEU 28 2HD1 LEU 28 -9.869 0.917 -0.069 245 3HD1 LEU 28 3HD1 LEU 28 -10.708 2.027 1.017 246 1HD2 LEU 28 1HD2 LEU 28 -9.063 3.696 0.279 247 2HD2 LEU 28 2HD2 LEU 28 -8.397 2.617 -0.946 248 3HD2 LEU 28 3HD2 LEU 28 -9.002 4.240 -1.408 249 H ARG 29 H ARG 29 -10.689 0.922 -5.105 250 HA ARG 29 HA ARG 29 -12.561 2.322 -6.766 251 1HB ARG 29 1HB ARG 29 -11.673 1.326 -8.719 252 2HB ARG 29 2HB ARG 29 -10.370 1.809 -7.635 253 1HG ARG 29 1HG ARG 29 -9.988 -0.449 -6.990 254 2HG ARG 29 2HG ARG 29 -11.402 -1.033 -7.902 255 1HD ARG 29 1HD ARG 29 -10.093 0.229 -9.917 256 2HD ARG 29 2HD ARG 29 -8.703 -0.224 -8.921 257 HE ARG 29 HE ARG 29 -9.513 -2.583 -9.056 258 1HH1 ARG 29 2HH2 ARG 29 -10.906 -0.452 -11.643 259 2HH1 ARG 29 1HH2 ARG 29 -11.271 -1.820 -12.621 260 1HH2 ARG 29 2HH1 ARG 29 -10.002 -4.202 -10.307 261 2HH2 ARG 29 1HH1 ARG 29 -11.002 -4.043 -11.722 262 H PHE 30 H PHE 30 -12.728 -0.911 -5.411 263 HA PHE 30 HA PHE 30 -14.944 -1.798 -7.065 264 1HB PHE 30 1HB PHE 30 -13.393 -3.409 -6.176 265 2HB PHE 30 2HB PHE 30 -13.574 -2.818 -4.565 266 HD1 PHE 30 HD1 PHE 30 -16.083 -3.912 -7.204 267 HD2 PHE 30 HD2 PHE 30 -14.578 -4.362 -3.170 268 HE1 PHE 30 HE1 PHE 30 -17.786 -5.648 -6.748 269 HE2 PHE 30 HE2 PHE 30 -16.310 -6.083 -2.732 270 HZ PHE 30 HZ PHE 30 -17.879 -6.748 -4.540 271 H GLN 31 H GLN 31 -14.710 0.395 -4.142 272 HA GLN 31 HA GLN 31 -17.460 -0.191 -3.399 273 1HB GLN 31 1HB GLN 31 -15.284 1.656 -2.361 274 2HB GLN 31 2HB GLN 31 -16.928 1.587 -1.726 275 1HG GLN 31 1HG GLN 31 -15.903 -1.116 -1.774 276 2HG GLN 31 2HG GLN 31 -14.635 -0.088 -1.148 277 1HE2 GLN 31 1HE2 GLN 31 -14.678 -0.101 1.136 278 2HE2 GLN 31 2HE2 GLN 31 -16.147 -0.174 2.053 279 H LEU 32 H LEU 32 -15.307 1.927 -5.171 280 HA LEU 32 HA LEU 32 -17.092 4.064 -5.635 281 1HB LEU 32 1HB LEU 32 -14.587 3.952 -5.886 282 2HB LEU 32 2HB LEU 32 -14.774 3.012 -7.352 283 HG LEU 32 HG LEU 32 -14.279 5.263 -7.663 284 1HD1 LEU 32 1HD1 LEU 32 -16.945 4.824 -8.977 285 2HD1 LEU 32 2HD1 LEU 32 -15.663 5.913 -9.488 286 3HD1 LEU 32 3HD1 LEU 32 -15.388 4.165 -9.506 287 1HD2 LEU 32 1HD2 LEU 32 -15.682 6.008 -5.641 288 2HD2 LEU 32 2HD2 LEU 32 -15.783 7.112 -7.057 289 3HD2 LEU 32 3HD2 LEU 32 -17.082 5.972 -6.663 290 H ALA 33 H ALA 33 -16.103 1.414 -7.651 291 HA ALA 33 HA ALA 33 -17.832 1.512 -9.862 292 1HB ALA 33 1HB ALA 33 -17.060 -1.001 -8.295 293 2HB ALA 33 2HB ALA 33 -17.631 -0.947 -9.960 294 3HB ALA 33 3HB ALA 33 -16.057 -0.241 -9.544 295 H MET 34 H MET 34 -18.447 0.104 -6.632 296 HA MET 34 HA MET 34 -21.075 -0.669 -7.222 297 1HB MET 34 1HB MET 34 -19.349 -0.427 -4.764 298 2HB MET 34 2HB MET 34 -21.056 -0.738 -4.564 299 1HG MET 34 1HG MET 34 -19.684 -2.485 -6.570 300 2HG MET 34 2HG MET 34 -19.137 -2.667 -4.915 301 1HE MET 34 1HE MET 34 -22.708 -1.768 -6.287 302 2HE MET 34 2HE MET 34 -22.222 -3.102 -7.361 303 3HE MET 34 3HE MET 34 -23.527 -3.324 -6.173 304 H GLY 35 H GLY 35 -19.685 2.287 -6.052 305 1HA GLY 35 1HA GLY 35 -20.616 4.308 -6.349 306 2HA GLY 35 2HA GLY 35 -22.277 3.699 -6.255 307 H GLN 36 H GLN 36 -19.703 2.902 -3.962 308 HA GLN 36 HA GLN 36 -21.420 3.983 -1.777 309 1HB GLN 36 1HB GLN 36 -19.223 1.897 -1.587 310 2HB GLN 36 2HB GLN 36 -20.555 2.191 -0.466 311 1HG GLN 36 1HG GLN 36 -22.149 1.361 -2.214 312 2HG GLN 36 2HG GLN 36 -20.798 1.094 -3.306 313 1HE2 GLN 36 1HE2 GLN 36 -22.155 0.109 -0.193 314 2HE2 GLN 36 2HE2 GLN 36 -21.415 -1.478 -0.074 315 H LEU 37 H LEU 37 -18.243 3.978 -3.166 316 HA LEU 37 HA LEU 37 -16.948 5.462 -0.980 317 1HB LEU 37 1HB LEU 37 -15.607 3.782 -1.750 318 2HB LEU 37 2HB LEU 37 -16.013 4.076 -3.446 319 HG LEU 37 HG LEU 37 -14.695 5.963 -3.578 320 1HD1 LEU 37 1HD1 LEU 37 -15.026 6.876 -1.127 321 2HD1 LEU 37 2HD1 LEU 37 -13.891 5.618 -0.667 322 3HD1 LEU 37 3HD1 LEU 37 -13.384 6.942 -1.727 323 1HD2 LEU 37 1HD2 LEU 37 -12.406 5.136 -2.829 324 2HD2 LEU 37 2HD2 LEU 37 -13.290 3.704 -2.286 325 3HD2 LEU 37 3HD2 LEU 37 -13.344 4.220 -3.998 326 H LYS 38 H LYS 38 -17.219 7.575 -0.807 327 HA LYS 38 HA LYS 38 -17.553 9.260 -3.258 328 1HB LYS 38 1HB LYS 38 -18.624 9.655 -0.431 329 2HB LYS 38 2HB LYS 38 -18.873 10.765 -1.767 330 1HG LYS 38 1HG LYS 38 -19.898 7.903 -1.922 331 2HG LYS 38 2HG LYS 38 -20.746 9.129 -1.005 332 1HD LYS 38 1HD LYS 38 -21.713 8.859 -3.179 333 2HD LYS 38 2HD LYS 38 -21.107 10.504 -2.971 334 1HE LYS 38 1HE LYS 38 -19.410 10.227 -4.552 335 2HE LYS 38 2HE LYS 38 -19.321 8.477 -4.300 336 1HZ LYS 38 1HZ LYS 38 -21.589 9.808 -5.660 337 2HZ LYS 38 2HZ LYS 38 -20.364 9.023 -6.437 338 3HZ LYS 38 3HZ LYS 38 -21.369 8.202 -5.453 339 H ASN 39 H ASN 39 -14.975 8.855 -2.898 340 HA ASN 39 HA ASN 39 -13.946 11.315 -1.832 341 1HB ASN 39 1HB ASN 39 -14.252 9.524 0.172 342 2HB ASN 39 2HB ASN 39 -12.700 8.955 -0.383 343 1HD2 ASN 39 1HD2 ASN 39 -13.153 10.067 2.159 344 2HD2 ASN 39 2HD2 ASN 39 -12.523 11.674 2.290 345 H THR 40 H THR 40 -13.337 11.311 -4.200 346 HA THR 40 HA THR 40 -11.689 9.095 -5.147 347 HB THR 40 HB THR 40 -11.485 10.478 -7.205 348 HG1 THR 40 HG1 THR 40 -11.910 12.537 -6.512 349 1HG2 THR 40 1HG2 THR 40 -13.309 8.740 -6.784 350 2HG2 THR 40 2HG2 THR 40 -14.387 10.099 -6.399 351 3HG2 THR 40 3HG2 THR 40 -13.688 9.925 -8.012 352 H SER 41 H SER 41 -11.040 12.415 -3.917 353 HA SER 41 HA SER 41 -8.305 12.448 -4.825 354 1HB SER 41 1HB SER 41 -9.633 13.785 -2.435 355 2HB SER 41 2HB SER 41 -8.012 14.152 -3.044 356 HG SER 41 HG SER 41 -9.562 15.569 -3.821 357 H LEU 42 H LEU 42 -9.948 10.960 -2.097 358 HA LEU 42 HA LEU 42 -7.562 10.329 -0.594 359 1HB LEU 42 1HB LEU 42 -9.968 10.488 0.216 360 2HB LEU 42 2HB LEU 42 -10.217 8.877 -0.434 361 HG LEU 42 HG LEU 42 -8.196 9.704 1.706 362 1HD1 LEU 42 1HD1 LEU 42 -10.879 8.279 1.870 363 2HD1 LEU 42 2HD1 LEU 42 -9.729 8.428 3.211 364 3HD1 LEU 42 3HD1 LEU 42 -10.465 9.872 2.519 365 1HD2 LEU 42 1HD2 LEU 42 -8.117 7.181 2.171 366 2HD2 LEU 42 2HD2 LEU 42 -8.823 6.952 0.563 367 3HD2 LEU 42 3HD2 LEU 42 -7.244 7.766 0.773 368 H ILE 43 H ILE 43 -9.591 8.488 -3.008 369 HA ILE 43 HA ILE 43 -8.034 6.201 -3.117 370 HB ILE 43 HB ILE 43 -10.083 7.361 -4.708 371 1HG1 ILE 43 1HG1 ILE 43 -10.197 5.197 -3.645 372 2HG1 ILE 43 2HG1 ILE 43 -10.634 5.093 -5.338 373 1HG2 ILE 43 1HG2 ILE 43 -9.646 6.596 -6.961 374 2HG2 ILE 43 2HG2 ILE 43 -8.577 7.918 -6.505 375 3HG2 ILE 43 3HG2 ILE 43 -7.976 6.240 -6.543 376 1HD1 ILE 43 1HD1 ILE 43 -8.231 4.195 -5.744 377 2HD1 ILE 43 2HD1 ILE 43 -8.191 3.926 -3.989 378 3HD1 ILE 43 3HD1 ILE 43 -9.418 3.129 -5.008 379 H LYS 44 H LYS 44 -7.417 9.307 -4.945 380 HA LYS 44 HA LYS 44 -5.143 8.502 -6.283 381 1HB LYS 44 1HB LYS 44 -5.940 10.473 -7.081 382 2HB LYS 44 2HB LYS 44 -6.568 10.992 -5.538 383 1HG LYS 44 1HG LYS 44 -4.913 12.568 -6.236 384 2HG LYS 44 2HG LYS 44 -4.330 11.722 -4.811 385 1HD LYS 44 1HD LYS 44 -3.360 10.108 -6.807 386 2HD LYS 44 2HD LYS 44 -3.343 11.636 -7.655 387 1HE LYS 44 1HE LYS 44 -2.132 11.207 -4.869 388 2HE LYS 44 2HE LYS 44 -1.197 11.037 -6.372 389 1HZ LYS 44 1HZ LYS 44 -0.949 13.250 -5.375 390 2HZ LYS 44 2HZ LYS 44 -1.582 13.341 -6.857 391 3HZ LYS 44 3HZ LYS 44 -2.546 13.539 -5.511 392 H LEU 45 H LEU 45 -5.385 9.689 -2.818 393 HA LEU 45 HA LEU 45 -2.546 9.868 -2.471 394 1HB LEU 45 1HB LEU 45 -5.059 10.019 -0.795 395 2HB LEU 45 2HB LEU 45 -3.454 9.851 -0.117 396 HG LEU 45 HG LEU 45 -4.478 12.173 -1.768 397 1HD1 LEU 45 1HD1 LEU 45 -4.000 13.400 0.290 398 2HD1 LEU 45 2HD1 LEU 45 -5.002 11.983 0.672 399 3HD1 LEU 45 3HD1 LEU 45 -3.258 11.942 0.996 400 1HD2 LEU 45 1HD2 LEU 45 -1.609 11.658 -0.862 401 2HD2 LEU 45 2HD2 LEU 45 -2.189 11.990 -2.532 402 3HD2 LEU 45 3HD2 LEU 45 -2.239 13.248 -1.304 403 H THR 46 H THR 46 -5.070 7.370 -2.441 404 HA THR 46 HA THR 46 -3.577 5.574 -0.771 405 HB THR 46 HB THR 46 -6.109 5.128 -2.401 406 HG1 THR 46 HG1 THR 46 -6.398 6.745 -0.886 407 1HG2 THR 46 1HG2 THR 46 -5.516 2.958 -1.731 408 2HG2 THR 46 2HG2 THR 46 -4.721 3.558 -0.222 409 3HG2 THR 46 3HG2 THR 46 -6.463 3.528 -0.364 410 H LYS 47 H LYS 47 -4.304 5.641 -4.384 411 HA LYS 47 HA LYS 47 -2.464 3.564 -5.005 412 1HB LYS 47 1HB LYS 47 -2.015 4.752 -7.226 413 2HB LYS 47 2HB LYS 47 -3.438 3.766 -6.940 414 1HG LYS 47 1HG LYS 47 -3.496 6.517 -6.045 415 2HG LYS 47 2HG LYS 47 -3.437 6.356 -7.810 416 1HD LYS 47 1HD LYS 47 -5.387 4.815 -6.051 417 2HD LYS 47 2HD LYS 47 -5.791 6.433 -6.660 418 1HE LYS 47 1HE LYS 47 -4.820 4.511 -8.726 419 2HE LYS 47 2HE LYS 47 -6.472 4.306 -8.127 420 1HZ LYS 47 1HZ LYS 47 -5.475 6.881 -9.183 421 2HZ LYS 47 2HZ LYS 47 -6.237 5.787 -10.110 422 3HZ LYS 47 3HZ LYS 47 -7.035 6.475 -8.875 423 H ARG 48 H ARG 48 -1.788 6.978 -4.589 424 HA ARG 48 HA ARG 48 0.962 6.984 -5.183 425 1HB ARG 48 1HB ARG 48 -0.437 8.944 -4.815 426 2HB ARG 48 2HB ARG 48 -0.841 8.421 -3.189 427 1HG ARG 48 1HG ARG 48 1.429 8.860 -2.392 428 2HG ARG 48 2HG ARG 48 1.902 9.315 -4.043 429 1HD ARG 48 1HD ARG 48 -0.091 10.998 -3.973 430 2HD ARG 48 2HD ARG 48 -0.216 10.602 -2.263 431 HE ARG 48 HE ARG 48 1.589 11.911 -1.829 432 1HH1 ARG 48 2HH2 ARG 48 1.733 11.081 -5.333 433 2HH1 ARG 48 1HH2 ARG 48 2.818 12.377 -5.691 434 1HH2 ARG 48 2HH1 ARG 48 3.199 13.555 -2.395 435 2HH2 ARG 48 1HH1 ARG 48 3.963 13.458 -3.921 436 H ASP 49 H ASP 49 -0.468 6.469 -1.898 437 HA ASP 49 HA ASP 49 2.154 5.753 -0.953 438 1HB ASP 49 1HB ASP 49 -0.003 6.685 0.216 439 2HB ASP 49 2HB ASP 49 -0.292 4.989 0.588 440 H ILE 50 H ILE 50 -0.645 3.856 -2.115 441 HA ILE 50 HA ILE 50 0.304 1.284 -1.445 442 HB ILE 50 HB ILE 50 -1.432 2.318 -3.690 443 1HG1 ILE 50 1HG1 ILE 50 -2.735 0.227 -2.778 444 2HG1 ILE 50 2HG1 ILE 50 -1.546 0.248 -1.500 445 1HG2 ILE 50 1HG2 ILE 50 -1.654 -0.002 -4.636 446 2HG2 ILE 50 2HG2 ILE 50 -0.100 0.745 -5.004 447 3HG2 ILE 50 3HG2 ILE 50 -0.236 -0.486 -3.716 448 1HD1 ILE 50 1HD1 ILE 50 -3.572 1.375 -0.800 449 2HD1 ILE 50 2HD1 ILE 50 -2.293 2.543 -0.892 450 3HD1 ILE 50 3HD1 ILE 50 -3.485 2.463 -2.267 451 H ALA 51 H ALA 51 1.165 3.467 -4.156 452 HA ALA 51 HA ALA 51 2.913 1.375 -5.180 453 1HB ALA 51 1HB ALA 51 1.678 3.014 -6.602 454 2HB ALA 51 2HB ALA 51 2.683 4.327 -5.954 455 3HB ALA 51 3HB ALA 51 3.424 3.024 -6.926 456 H ARG 52 H ARG 52 3.280 3.602 -2.712 457 HA ARG 52 HA ARG 52 6.238 3.350 -2.631 458 1HB ARG 52 1HB ARG 52 5.003 5.446 -1.954 459 2HB ARG 52 2HB ARG 52 4.302 4.587 -0.597 460 1HG ARG 52 1HG ARG 52 7.318 4.813 -0.904 461 2HG ARG 52 2HG ARG 52 6.331 6.143 -0.296 462 1HD ARG 52 1HD ARG 52 5.336 4.293 1.335 463 2HD ARG 52 2HD ARG 52 6.865 3.476 0.994 464 HE ARG 52 HE ARG 52 8.052 5.272 2.035 465 1HH1 ARG 52 2HH2 ARG 52 4.445 5.960 2.190 466 2HH1 ARG 52 1HH2 ARG 52 4.719 7.082 3.446 467 1HH2 ARG 52 2HH1 ARG 52 8.223 6.879 3.596 468 2HH2 ARG 52 1HH1 ARG 52 6.777 7.641 4.214 469 H ILE 53 H ILE 53 3.529 2.401 -0.368 470 HA ILE 53 HA ILE 53 4.999 0.536 1.150 471 HB ILE 53 HB ILE 53 2.039 0.934 0.524 472 1HG1 ILE 53 1HG1 ILE 53 2.351 1.246 3.223 473 2HG1 ILE 53 2HG1 ILE 53 3.984 1.653 2.696 474 1HG2 ILE 53 1HG2 ILE 53 2.160 -1.396 0.968 475 2HG2 ILE 53 2HG2 ILE 53 3.352 -1.155 2.274 476 3HG2 ILE 53 3HG2 ILE 53 1.669 -0.653 2.470 477 1HD1 ILE 53 1HD1 ILE 53 3.166 3.481 1.408 478 2HD1 ILE 53 2HD1 ILE 53 1.469 2.936 1.632 479 3HD1 ILE 53 3HD1 ILE 53 2.411 3.545 3.007 480 H LYS 54 H LYS 54 2.923 -0.202 -1.661 481 HA LYS 54 HA LYS 54 3.412 -2.939 -1.353 482 1HB LYS 54 1HB LYS 54 2.158 -3.221 -3.393 483 2HB LYS 54 2HB LYS 54 1.500 -1.768 -2.750 484 1HG LYS 54 1HG LYS 54 1.863 -1.272 -5.017 485 2HG LYS 54 2HG LYS 54 3.362 -0.631 -4.335 486 1HD LYS 54 1HD LYS 54 4.659 -2.049 -5.455 487 2HD LYS 54 2HD LYS 54 3.663 -3.458 -5.065 488 1HE LYS 54 1HE LYS 54 2.164 -3.001 -6.898 489 2HE LYS 54 2HE LYS 54 2.906 -1.424 -7.184 490 1HZ LYS 54 1HZ LYS 54 3.728 -2.992 -8.770 491 2HZ LYS 54 2HZ LYS 54 4.975 -2.623 -7.749 492 3HZ LYS 54 3HZ LYS 54 4.187 -4.047 -7.577 493 H THR 55 H THR 55 5.225 -0.370 -2.957 494 HA THR 55 HA THR 55 7.135 -2.073 -4.210 495 HB THR 55 HB THR 55 6.997 0.823 -3.493 496 HG1 THR 55 HG1 THR 55 7.590 0.361 -5.978 497 1HG2 THR 55 1HG2 THR 55 9.116 1.198 -4.708 498 2HG2 THR 55 2HG2 THR 55 9.378 0.346 -3.188 499 3HG2 THR 55 3HG2 THR 55 9.426 -0.559 -4.715 500 H ILE 56 H ILE 56 6.975 -0.719 -0.815 501 HA ILE 56 HA ILE 56 9.645 -1.370 -0.089 502 HB ILE 56 HB ILE 56 7.159 -1.490 1.590 503 1HG1 ILE 56 1HG1 ILE 56 8.264 0.703 0.673 504 2HG1 ILE 56 2HG1 ILE 56 7.724 0.575 2.321 505 1HG2 ILE 56 1HG2 ILE 56 8.736 -1.663 3.571 506 2HG2 ILE 56 2HG2 ILE 56 8.590 -3.138 2.632 507 3HG2 ILE 56 3HG2 ILE 56 10.023 -2.146 2.425 508 1HD1 ILE 56 1HD1 ILE 56 10.618 0.084 1.564 509 2HD1 ILE 56 2HD1 ILE 56 9.982 1.675 2.004 510 3HD1 ILE 56 3HD1 ILE 56 9.942 0.371 3.198 511 H LEU 57 H LEU 57 6.786 -3.500 -0.290 512 HA LEU 57 HA LEU 57 8.310 -5.832 0.689 513 1HB LEU 57 1HB LEU 57 5.622 -5.387 0.413 514 2HB LEU 57 2HB LEU 57 5.888 -6.156 -1.120 515 HG LEU 57 HG LEU 57 6.997 -7.478 1.397 516 1HD1 LEU 57 1HD1 LEU 57 4.862 -8.728 1.628 517 2HD1 LEU 57 2HD1 LEU 57 4.673 -7.012 1.996 518 3HD1 LEU 57 3HD1 LEU 57 4.107 -7.647 0.432 519 1HD2 LEU 57 1HD2 LEU 57 6.609 -9.509 0.116 520 2HD2 LEU 57 2HD2 LEU 57 5.964 -8.535 -1.232 521 3HD2 LEU 57 3HD2 LEU 57 7.630 -8.361 -0.719 522 H ARG 58 H ARG 58 7.634 -4.509 -2.541 523 HA ARG 58 HA ARG 58 8.927 -6.582 -3.974 524 1HB ARG 58 1HB ARG 58 7.550 -4.185 -4.519 525 2HB ARG 58 2HB ARG 58 9.196 -3.706 -4.900 526 1HG ARG 58 1HG ARG 58 7.539 -4.532 -6.702 527 2HG ARG 58 2HG ARG 58 9.246 -4.991 -6.826 528 1HD ARG 58 1HD ARG 58 8.792 -7.212 -6.191 529 2HD ARG 58 2HD ARG 58 7.399 -6.683 -5.226 530 HE ARG 58 HE ARG 58 7.025 -6.423 -8.127 531 1HH1 ARG 58 2HH2 ARG 58 7.011 -8.859 -5.482 532 2HH1 ARG 58 1HH2 ARG 58 6.009 -9.949 -6.347 533 1HH2 ARG 58 2HH1 ARG 58 5.280 -7.737 -9.025 534 2HH2 ARG 58 1HH1 ARG 58 4.882 -9.239 -8.237 535 H GLU 59 H GLU 59 10.126 -3.652 -2.638 536 HA GLU 59 HA GLU 59 12.692 -3.796 -3.465 537 1HB GLU 59 1HB GLU 59 11.863 -2.708 -0.722 538 2HB GLU 59 2HB GLU 59 13.440 -2.493 -1.449 539 1HG GLU 59 1HG GLU 59 12.318 -1.613 -3.450 540 2HG GLU 59 2HG GLU 59 10.844 -1.539 -2.632 541 H ARG 60 H ARG 60 11.428 -5.706 -0.911 542 HA ARG 60 HA ARG 60 14.055 -6.955 -0.424 543 1HB ARG 60 1HB ARG 60 12.833 -7.650 1.721 544 2HB ARG 60 2HB ARG 60 13.336 -5.973 1.530 545 1HG ARG 60 1HG ARG 60 11.377 -5.087 1.438 546 2HG ARG 60 2HG ARG 60 10.572 -6.447 0.713 547 1HD ARG 60 1HD ARG 60 11.502 -6.692 3.575 548 2HD ARG 60 2HD ARG 60 10.041 -5.800 3.193 549 HE ARG 60 HE ARG 60 8.894 -7.689 2.884 550 1HH1 ARG 60 2HH2 ARG 60 12.261 -8.815 3.222 551 2HH1 ARG 60 1HH2 ARG 60 11.866 -10.430 2.693 552 1HH2 ARG 60 2HH1 ARG 60 8.390 -9.815 2.697 553 2HH2 ARG 60 1HH1 ARG 60 9.617 -11.043 2.672 554 H GLU 61 H GLU 61 11.390 -7.751 -2.418 555 HA GLU 61 HA GLU 61 11.767 -10.637 -2.062 556 1HB GLU 61 1HB GLU 61 10.312 -8.841 -4.096 557 2HB GLU 61 2HB GLU 61 10.345 -10.611 -4.153 558 1HG GLU 61 1HG GLU 61 9.306 -10.723 -1.884 559 2HG GLU 61 2HG GLU 61 9.287 -9.020 -1.810 560 H LEU 62 H LEU 62 13.407 -7.914 -3.196 561 HA LEU 62 HA LEU 62 14.764 -9.121 -5.513 562 1HB LEU 62 1HB LEU 62 13.854 -6.323 -4.831 563 2HB LEU 62 2HB LEU 62 14.534 -6.830 -6.386 564 HG LEU 62 HG LEU 62 11.811 -7.616 -5.270 565 1HD1 LEU 62 1HD1 LEU 62 12.498 -5.608 -7.410 566 2HD1 LEU 62 2HD1 LEU 62 10.900 -6.272 -7.050 567 3HD1 LEU 62 3HD1 LEU 62 11.753 -5.298 -5.827 568 1HD2 LEU 62 1HD2 LEU 62 12.352 -9.373 -6.282 569 2HD2 LEU 62 2HD2 LEU 62 11.309 -8.506 -7.437 570 3HD2 LEU 62 3HD2 LEU 62 13.057 -8.573 -7.729 571 H GLY 63 H GLY 63 16.486 -6.759 -5.675 572 1HA GLY 63 1HA GLY 63 17.656 -6.468 -2.940 573 2HA GLY 63 2HA GLY 63 18.676 -6.745 -4.357 574 H ILE 64 H ILE 64 15.632 -4.720 -4.117 575 HA ILE 64 HA ILE 64 16.824 -2.565 -5.354 576 HB ILE 64 HB ILE 64 14.310 -2.706 -3.754 577 1HG1 ILE 64 1HG1 ILE 64 14.095 -4.386 -5.444 578 2HG1 ILE 64 2HG1 ILE 64 13.078 -3.035 -5.857 579 1HG2 ILE 64 1HG2 ILE 64 14.985 -0.453 -4.217 580 2HG2 ILE 64 2HG2 ILE 64 15.216 -0.809 -5.931 581 3HG2 ILE 64 3HG2 ILE 64 13.576 -0.823 -5.202 582 1HD1 ILE 64 1HD1 ILE 64 14.174 -3.970 -7.839 583 2HD1 ILE 64 2HD1 ILE 64 14.716 -2.311 -7.542 584 3HD1 ILE 64 3HD1 ILE 64 15.768 -3.681 -7.117 585 H ARG 65 H ARG 65 15.450 -2.675 -2.185 586 HA ARG 65 HA ARG 65 17.710 -1.270 -0.919 587 1HB ARG 65 1HB ARG 65 14.837 -0.522 -0.408 588 2HB ARG 65 2HB ARG 65 16.240 0.098 0.460 589 1HG ARG 65 1HG ARG 65 17.040 1.053 -1.779 590 2HG ARG 65 2HG ARG 65 15.435 0.656 -2.412 591 1HD ARG 65 1HD ARG 65 14.387 2.037 -0.676 592 2HD ARG 65 2HD ARG 65 15.973 2.412 0.001 593 HE ARG 65 HE ARG 65 15.009 3.194 -2.726 594 1HH1 ARG 65 2HH2 ARG 65 17.042 3.996 0.098 595 2HH1 ARG 65 1HH2 ARG 65 17.776 5.349 -0.669 596 1HH2 ARG 65 2HH1 ARG 65 15.754 5.251 -3.580 597 2HH2 ARG 65 1HH1 ARG 65 16.960 6.132 -2.708 598 H ARG 66 H ARG 66 18.029 -3.499 -0.601 599 HA ARG 66 HA ARG 66 16.300 -4.871 1.383 600 1HB ARG 66 1HB ARG 66 18.715 -5.710 -0.231 601 2HB ARG 66 2HB ARG 66 18.521 -6.403 1.392 602 1HG ARG 66 1HG ARG 66 16.221 -7.107 0.841 603 2HG ARG 66 2HG ARG 66 16.454 -6.569 -0.825 604 1HD ARG 66 1HD ARG 66 18.101 -8.276 -1.241 605 2HD ARG 66 2HD ARG 66 18.302 -8.604 0.485 606 HE ARG 66 HE ARG 66 15.760 -9.099 -0.976 607 1HH1 ARG 66 2HH2 ARG 66 18.389 -10.804 0.702 608 2HH1 ARG 66 1HH2 ARG 66 17.295 -11.781 1.634 609 1HH2 ARG 66 2HH1 ARG 66 14.377 -10.585 0.157 610 2HH2 ARG 66 1HH1 ARG 66 15.098 -11.914 1.024 Start of MODEL 8 1 1H MET 1 1H MET 1 12.309 7.480 -1.314 2 HA MET 1 HA MET 1 13.707 9.389 -0.651 3 1HB MET 1 1HB MET 1 11.082 10.321 0.435 4 2HB MET 1 2HB MET 1 12.535 10.664 1.384 5 1HG MET 1 1HG MET 1 12.044 12.481 -0.169 6 2HG MET 1 2HG MET 1 13.620 11.762 -0.462 7 1HE MET 1 1HE MET 1 13.980 9.875 -2.556 8 2HE MET 1 2HE MET 1 13.574 10.701 -4.072 9 3HE MET 1 3HE MET 1 14.453 11.560 -2.791 10 H LYS 2 H LYS 2 11.494 8.116 2.056 11 HA LYS 2 HA LYS 2 13.797 6.481 2.894 12 1HB LYS 2 1HB LYS 2 13.943 8.807 3.905 13 2HB LYS 2 2HB LYS 2 12.398 8.487 4.706 14 1HG LYS 2 1HG LYS 2 13.350 6.725 6.039 15 2HG LYS 2 2HG LYS 2 14.850 6.718 5.077 16 1HD LYS 2 1HD LYS 2 15.390 8.988 5.806 17 2HD LYS 2 2HD LYS 2 13.852 9.106 6.690 18 1HE LYS 2 1HE LYS 2 14.515 7.420 8.257 19 2HE LYS 2 2HE LYS 2 15.962 7.000 7.318 20 1HZ LYS 2 1HZ LYS 2 16.979 8.966 7.921 21 2HZ LYS 2 2HZ LYS 2 15.591 9.731 8.347 22 3HZ LYS 2 3HZ LYS 2 16.190 8.540 9.310 23 H ALA 3 H ALA 3 13.112 4.681 4.165 24 HA ALA 3 HA ALA 3 10.183 4.244 4.194 25 1HB ALA 3 1HB ALA 3 10.582 1.943 3.741 26 2HB ALA 3 2HB ALA 3 11.405 2.890 2.458 27 3HB ALA 3 3HB ALA 3 12.330 2.115 3.784 28 H SER 4 H SER 4 12.719 4.780 6.435 29 HA SER 4 HA SER 4 12.744 2.544 8.043 30 1HB SER 4 1HB SER 4 12.903 5.457 8.791 31 2HB SER 4 2HB SER 4 12.936 4.175 10.010 32 HG SER 4 HG SER 4 14.757 3.391 9.283 33 H GLU 5 H GLU 5 10.227 5.006 7.970 34 HA GLU 5 HA GLU 5 8.410 4.109 9.871 35 1HB GLU 5 1HB GLU 5 6.676 5.027 8.234 36 2HB GLU 5 2HB GLU 5 7.945 6.111 8.794 37 1HG GLU 5 1HG GLU 5 9.186 5.838 6.663 38 2HG GLU 5 2HG GLU 5 7.938 4.748 6.061 39 H LEU 6 H LEU 6 8.661 2.832 6.560 40 HA LEU 6 HA LEU 6 6.414 0.885 6.931 41 1HB LEU 6 1HB LEU 6 7.942 2.314 4.717 42 2HB LEU 6 2HB LEU 6 7.561 0.707 4.329 43 HG LEU 6 HG LEU 6 5.161 1.096 4.496 44 1HD1 LEU 6 1HD1 LEU 6 5.046 2.575 6.492 45 2HD1 LEU 6 2HD1 LEU 6 5.752 3.897 5.520 46 3HD1 LEU 6 3HD1 LEU 6 4.162 3.224 5.122 47 1HD2 LEU 6 1HD2 LEU 6 6.735 3.293 3.096 48 2HD2 LEU 6 2HD2 LEU 6 5.944 1.890 2.373 49 3HD2 LEU 6 3HD2 LEU 6 4.971 3.219 2.940 50 H ARG 7 H ARG 7 9.945 0.852 6.763 51 HA ARG 7 HA ARG 7 9.848 -2.075 6.467 52 1HB ARG 7 1HB ARG 7 12.246 -1.856 6.393 53 2HB ARG 7 2HB ARG 7 11.531 -0.772 5.236 54 1HG ARG 7 1HG ARG 7 12.439 1.005 6.186 55 2HG ARG 7 2HG ARG 7 12.063 0.505 7.844 56 1HD ARG 7 1HD ARG 7 14.037 -0.662 8.099 57 2HD ARG 7 2HD ARG 7 14.306 -0.854 6.364 58 HE ARG 7 HE ARG 7 15.184 1.289 8.031 59 1HH1 ARG 7 2HH2 ARG 7 14.433 0.445 4.642 60 2HH1 ARG 7 1HH2 ARG 7 14.868 2.022 4.026 61 1HH2 ARG 7 2HH1 ARG 7 16.098 3.220 7.106 62 2HH2 ARG 7 1HH1 ARG 7 16.144 3.420 5.390 63 H ASN 8 H ASN 8 9.597 0.267 8.897 64 HA ASN 8 HA ASN 8 11.073 -1.012 10.978 65 1HB ASN 8 1HB ASN 8 9.285 1.332 10.873 66 2HB ASN 8 2HB ASN 8 8.901 0.376 12.243 67 1HD2 ASN 8 1HD2 ASN 8 10.920 -0.528 13.522 68 2HD2 ASN 8 2HD2 ASN 8 12.121 0.698 13.849 69 H TYR 9 H TYR 9 7.867 -1.905 9.679 70 HA TYR 9 HA TYR 9 6.713 -2.623 12.074 71 1HB TYR 9 1HB TYR 9 6.104 -2.886 9.165 72 2HB TYR 9 2HB TYR 9 5.116 -3.737 10.339 73 HD1 TYR 9 HD1 TYR 9 5.892 -0.778 8.531 74 HD2 TYR 9 HD2 TYR 9 3.993 -2.153 12.149 75 HE1 TYR 9 HE1 TYR 9 4.738 1.405 8.743 76 HE2 TYR 9 HE2 TYR 9 2.839 0.038 12.369 77 HH TYR 9 HH TYR 9 2.703 2.251 11.561 78 H THR 10 H THR 10 6.042 -5.005 12.628 79 HA THR 10 HA THR 10 8.429 -6.691 12.570 80 HB THR 10 HB THR 10 7.090 -8.280 13.618 81 HG1 THR 10 HG1 THR 10 4.906 -7.721 14.320 82 1HG2 THR 10 1HG2 THR 10 6.473 -5.592 14.945 83 2HG2 THR 10 2HG2 THR 10 6.718 -7.162 15.757 84 3HG2 THR 10 3HG2 THR 10 8.069 -6.371 14.939 85 H ASP 11 H ASP 11 8.237 -9.031 11.526 86 HA ASP 11 HA ASP 11 7.521 -8.457 8.807 87 1HB ASP 11 1HB ASP 11 8.855 -10.571 10.217 88 2HB ASP 11 2HB ASP 11 7.845 -11.205 8.927 89 H GLU 12 H GLU 12 5.589 -9.757 11.294 90 HA GLU 12 HA GLU 12 3.442 -10.575 9.476 91 1HB GLU 12 1HB GLU 12 3.618 -10.175 12.486 92 2HB GLU 12 2HB GLU 12 2.122 -10.519 11.622 93 1HG GLU 12 1HG GLU 12 3.475 -12.520 10.547 94 2HG GLU 12 2HG GLU 12 4.537 -12.309 11.963 95 H GLU 13 H GLU 13 4.268 -7.653 11.467 96 HA GLU 13 HA GLU 13 1.760 -6.301 10.892 97 1HB GLU 13 1HB GLU 13 4.479 -5.423 11.824 98 2HB GLU 13 2HB GLU 13 3.272 -4.240 11.421 99 1HG GLU 13 1HG GLU 13 2.530 -6.415 13.373 100 2HG GLU 13 2HG GLU 13 3.645 -5.155 13.885 101 H LEU 14 H LEU 14 4.876 -6.610 9.296 102 HA LEU 14 HA LEU 14 4.741 -4.513 7.419 103 1HB LEU 14 1HB LEU 14 6.246 -7.177 7.506 104 2HB LEU 14 2HB LEU 14 6.480 -6.029 6.200 105 HG LEU 14 HG LEU 14 6.841 -5.173 9.054 106 1HD1 LEU 14 1HD1 LEU 14 8.529 -6.713 9.221 107 2HD1 LEU 14 2HD1 LEU 14 8.822 -6.761 7.456 108 3HD1 LEU 14 3HD1 LEU 14 9.401 -5.419 8.488 109 1HD2 LEU 14 1HD2 LEU 14 8.035 -3.421 8.375 110 2HD2 LEU 14 2HD2 LEU 14 8.303 -4.067 6.705 111 3HD2 LEU 14 3HD2 LEU 14 6.696 -3.503 7.215 112 H LYS 15 H LYS 15 4.160 -8.087 6.927 113 HA LYS 15 HA LYS 15 3.046 -7.660 4.363 114 1HB LYS 15 1HB LYS 15 2.014 -9.873 4.631 115 2HB LYS 15 2HB LYS 15 3.734 -9.910 5.076 116 1HG LYS 15 1HG LYS 15 3.080 -9.821 7.484 117 2HG LYS 15 2HG LYS 15 1.368 -9.879 7.008 118 1HD LYS 15 1HD LYS 15 1.825 -12.000 5.754 119 2HD LYS 15 2HD LYS 15 3.373 -12.089 6.636 120 1HE LYS 15 1HE LYS 15 2.104 -12.055 8.791 121 2HE LYS 15 2HE LYS 15 0.588 -11.897 7.894 122 1HZ LYS 15 1HZ LYS 15 0.937 -14.144 8.600 123 2HZ LYS 15 2HZ LYS 15 0.959 -14.091 6.967 124 3HZ LYS 15 3HZ LYS 15 2.368 -14.255 7.831 125 H ASN 16 H ASN 16 1.456 -7.828 7.614 126 HA ASN 16 HA ASN 16 -1.091 -7.681 6.370 127 1HB ASN 16 1HB ASN 16 -0.266 -8.556 8.690 128 2HB ASN 16 2HB ASN 16 -0.416 -6.882 9.222 129 1HD2 ASN 16 1HD2 ASN 16 -1.900 -8.629 10.609 130 2HD2 ASN 16 2HD2 ASN 16 -3.546 -8.806 10.061 131 H LEU 17 H LEU 17 1.159 -5.334 6.583 132 HA LEU 17 HA LEU 17 -0.718 -3.010 6.801 133 1HB LEU 17 1HB LEU 17 1.302 -2.780 8.084 134 2HB LEU 17 2HB LEU 17 2.303 -3.286 6.770 135 HG LEU 17 HG LEU 17 0.932 -0.957 5.824 136 1HD1 LEU 17 1HD1 LEU 17 0.480 -0.386 8.180 137 2HD1 LEU 17 2HD1 LEU 17 2.195 -0.594 8.573 138 3HD1 LEU 17 3HD1 LEU 17 1.687 0.713 7.482 139 1HD2 LEU 17 1HD2 LEU 17 3.177 -1.790 5.146 140 2HD2 LEU 17 2HD2 LEU 17 3.220 -0.088 5.660 141 3HD2 LEU 17 3HD2 LEU 17 3.811 -1.372 6.744 142 H LEU 18 H LEU 18 1.799 -4.452 4.896 143 HA LEU 18 HA LEU 18 1.300 -2.671 2.643 144 1HB LEU 18 1HB LEU 18 2.811 -5.191 2.095 145 2HB LEU 18 2HB LEU 18 3.104 -3.655 1.425 146 HG LEU 18 HG LEU 18 3.760 -3.729 4.295 147 1HD1 LEU 18 1HD1 LEU 18 5.580 -5.155 4.310 148 2HD1 LEU 18 2HD1 LEU 18 4.245 -6.109 3.651 149 3HD1 LEU 18 3HD1 LEU 18 5.495 -5.495 2.562 150 1HD2 LEU 18 1HD2 LEU 18 4.711 -1.977 2.794 151 2HD2 LEU 18 2HD2 LEU 18 5.930 -2.900 3.636 152 3HD2 LEU 18 3HD2 LEU 18 5.582 -3.256 1.929 153 H GLU 19 H GLU 19 0.475 -6.023 3.279 154 HA GLU 19 HA GLU 19 -0.848 -6.492 0.810 155 1HB GLU 19 1HB GLU 19 -1.293 -8.535 1.643 156 2HB GLU 19 2HB GLU 19 -0.028 -8.089 2.786 157 1HG GLU 19 1HG GLU 19 -1.744 -7.524 4.442 158 2HG GLU 19 2HG GLU 19 -2.987 -8.023 3.279 159 H GLU 20 H GLU 20 -1.847 -4.914 3.836 160 HA GLU 20 HA GLU 20 -4.674 -5.093 3.361 161 1HB GLU 20 1HB GLU 20 -3.736 -4.718 5.583 162 2HB GLU 20 2HB GLU 20 -3.093 -3.143 5.079 163 1HG GLU 20 1HG GLU 20 -5.542 -2.501 4.563 164 2HG GLU 20 2HG GLU 20 -6.008 -3.985 5.397 165 H LYS 21 H LYS 21 -2.270 -2.464 2.916 166 HA LYS 21 HA LYS 21 -3.991 -0.610 1.688 167 1HB LYS 21 1HB LYS 21 -1.011 -1.142 1.703 168 2HB LYS 21 2HB LYS 21 -1.644 0.302 0.934 169 1HG LYS 21 1HG LYS 21 -2.145 -0.509 3.824 170 2HG LYS 21 2HG LYS 21 -0.823 0.497 3.303 171 1HD LYS 21 1HD LYS 21 -3.573 1.441 2.480 172 2HD LYS 21 2HD LYS 21 -3.213 1.402 4.211 173 1HE LYS 21 1HE LYS 21 -0.989 2.504 3.621 174 2HE LYS 21 2HE LYS 21 -1.709 2.916 2.056 175 1HZ LYS 21 1HZ LYS 21 -1.814 4.497 4.141 176 2HZ LYS 21 2HZ LYS 21 -3.212 4.368 3.237 177 3HZ LYS 21 3HZ LYS 21 -2.997 3.552 4.636 178 H LYS 22 H LYS 22 -1.658 -2.888 0.093 179 HA LYS 22 HA LYS 22 -2.490 -2.648 -2.481 180 1HB LYS 22 1HB LYS 22 -0.642 -4.131 -1.544 181 2HB LYS 22 2HB LYS 22 -1.874 -5.318 -1.103 182 1HG LYS 22 1HG LYS 22 -2.461 -5.508 -3.546 183 2HG LYS 22 2HG LYS 22 -1.145 -4.383 -3.903 184 1HD LYS 22 1HD LYS 22 0.446 -6.034 -2.804 185 2HD LYS 22 2HD LYS 22 -0.920 -7.163 -2.665 186 1HE LYS 22 1HE LYS 22 -1.225 -7.046 -5.155 187 2HE LYS 22 2HE LYS 22 0.184 -5.977 -5.255 188 1HZ LYS 22 1HZ LYS 22 0.148 -8.823 -4.452 189 2HZ LYS 22 2HZ LYS 22 0.882 -8.176 -5.758 190 3HZ LYS 22 3HZ LYS 22 1.477 -7.886 -4.250 191 H ARG 23 H ARG 23 -4.447 -4.763 -0.080 192 HA ARG 23 HA ARG 23 -6.271 -5.303 -2.268 193 1HB ARG 23 1HB ARG 23 -7.817 -6.075 -0.557 194 2HB ARG 23 2HB ARG 23 -6.230 -6.852 -0.455 195 1HG ARG 23 1HG ARG 23 -5.656 -5.545 1.481 196 2HG ARG 23 2HG ARG 23 -7.131 -4.576 1.357 197 1HD ARG 23 1HD ARG 23 -7.197 -6.137 3.129 198 2HD ARG 23 2HD ARG 23 -8.500 -6.398 1.956 199 HE ARG 23 HE ARG 23 -6.162 -8.102 2.573 200 1HH1 ARG 23 2HH2 ARG 23 -9.243 -7.749 0.704 201 2HH1 ARG 23 1HH2 ARG 23 -9.284 -9.395 0.251 202 1HH2 ARG 23 2HH1 ARG 23 -6.157 -10.260 1.757 203 2HH2 ARG 23 1HH1 ARG 23 -7.416 -10.796 0.682 204 H GLN 24 H GLN 24 -6.301 -2.919 0.469 205 HA GLN 24 HA GLN 24 -8.758 -1.878 0.180 206 1HB GLN 24 1HB GLN 24 -6.102 -0.733 1.008 207 2HB GLN 24 2HB GLN 24 -7.356 0.395 0.644 208 1HG GLN 24 1HG GLN 24 -8.653 -1.488 2.310 209 2HG GLN 24 2HG GLN 24 -7.058 -1.250 3.018 210 1HE2 GLN 24 1HE2 GLN 24 -7.423 0.194 4.781 211 2HE2 GLN 24 2HE2 GLN 24 -8.399 1.620 4.630 212 H LEU 25 H LEU 25 -5.906 -0.752 -1.760 213 HA LEU 25 HA LEU 25 -7.353 1.245 -3.202 214 1HB LEU 25 1HB LEU 25 -4.980 1.099 -3.338 215 2HB LEU 25 2HB LEU 25 -5.084 -0.576 -3.836 216 HG LEU 25 HG LEU 25 -6.262 0.414 -6.027 217 1HD1 LEU 25 1HD1 LEU 25 -6.513 2.658 -4.827 218 2HD1 LEU 25 2HD1 LEU 25 -4.795 2.883 -5.051 219 3HD1 LEU 25 3HD1 LEU 25 -5.875 2.732 -6.470 220 1HD2 LEU 25 1HD2 LEU 25 -4.200 0.786 -7.159 221 2HD2 LEU 25 2HD2 LEU 25 -3.332 1.049 -5.633 222 3HD2 LEU 25 3HD2 LEU 25 -3.993 -0.554 -6.033 223 H MET 26 H MET 26 -7.030 -2.257 -3.927 224 HA MET 26 HA MET 26 -8.555 -2.131 -6.393 225 1HB MET 26 1HB MET 26 -8.002 -4.506 -4.566 226 2HB MET 26 2HB MET 26 -8.584 -4.579 -6.221 227 1HG MET 26 1HG MET 26 -6.445 -3.415 -6.941 228 2HG MET 26 2HG MET 26 -5.877 -3.602 -5.279 229 1HE MET 26 1HE MET 26 -4.218 -5.361 -4.807 230 2HE MET 26 2HE MET 26 -3.684 -6.479 -6.077 231 3HE MET 26 3HE MET 26 -3.723 -4.727 -6.396 232 H GLU 27 H GLU 27 -9.428 -2.400 -3.010 233 HA GLU 27 HA GLU 27 -12.147 -3.459 -3.638 234 1HB GLU 27 1HB GLU 27 -10.991 -2.611 -0.940 235 2HB GLU 27 2HB GLU 27 -12.473 -3.512 -1.228 236 1HG GLU 27 1HG GLU 27 -10.492 -5.036 -2.569 237 2HG GLU 27 2HG GLU 27 -9.670 -4.435 -1.133 238 H LEU 28 H LEU 28 -10.617 -0.482 -2.460 239 HA LEU 28 HA LEU 28 -12.915 1.132 -2.198 240 1HB LEU 28 1HB LEU 28 -10.031 1.704 -2.912 241 2HB LEU 28 2HB LEU 28 -11.227 2.958 -2.592 242 HG LEU 28 HG LEU 28 -10.348 0.846 -0.569 243 1HD1 LEU 28 1HD1 LEU 28 -8.500 2.214 -1.079 244 2HD1 LEU 28 2HD1 LEU 28 -9.462 3.694 -1.122 245 3HD1 LEU 28 3HD1 LEU 28 -9.170 2.866 0.426 246 1HD2 LEU 28 1HD2 LEU 28 -12.093 3.261 -0.130 247 2HD2 LEU 28 2HD2 LEU 28 -12.565 1.550 -0.105 248 3HD2 LEU 28 3HD2 LEU 28 -11.417 2.125 1.094 249 H ARG 29 H ARG 29 -10.765 0.596 -4.990 250 HA ARG 29 HA ARG 29 -12.339 2.295 -6.700 251 1HB ARG 29 1HB ARG 29 -11.208 1.456 -8.582 252 2HB ARG 29 2HB ARG 29 -10.030 1.537 -7.266 253 1HG ARG 29 1HG ARG 29 -10.286 -0.880 -6.923 254 2HG ARG 29 2HG ARG 29 -11.504 -0.967 -8.212 255 1HD ARG 29 1HD ARG 29 -9.574 0.168 -9.652 256 2HD ARG 29 2HD ARG 29 -8.544 -0.532 -8.404 257 HE ARG 29 HE ARG 29 -9.183 -2.738 -9.110 258 1HH1 ARG 29 2HH2 ARG 29 -11.072 -0.314 -10.952 259 2HH1 ARG 29 1HH2 ARG 29 -11.598 -1.443 -12.116 260 1HH2 ARG 29 2HH1 ARG 29 -9.951 -4.196 -10.575 261 2HH2 ARG 29 1HH1 ARG 29 -10.943 -3.728 -11.921 262 H PHE 30 H PHE 30 -12.898 -1.003 -5.638 263 HA PHE 30 HA PHE 30 -15.008 -1.595 -7.540 264 1HB PHE 30 1HB PHE 30 -13.701 -3.389 -6.567 265 2HB PHE 30 2HB PHE 30 -14.005 -2.851 -4.971 266 HD1 PHE 30 HD1 PHE 30 -16.001 -4.000 -7.955 267 HD2 PHE 30 HD2 PHE 30 -15.541 -3.945 -3.665 268 HE1 PHE 30 HE1 PHE 30 -17.845 -5.638 -7.732 269 HE2 PHE 30 HE2 PHE 30 -17.383 -5.588 -3.447 270 HZ PHE 30 HZ PHE 30 -18.523 -6.448 -5.485 271 H GLN 31 H GLN 31 -14.827 0.361 -4.485 272 HA GLN 31 HA GLN 31 -17.687 0.198 -4.059 273 1HB GLN 31 1HB GLN 31 -15.522 2.047 -2.919 274 2HB GLN 31 2HB GLN 31 -17.223 2.074 -2.540 275 1HG GLN 31 1HG GLN 31 -16.799 -0.474 -1.905 276 2HG GLN 31 2HG GLN 31 -15.133 0.072 -1.736 277 1HE2 GLN 31 1HE2 GLN 31 -16.160 -0.810 0.561 278 2HE2 GLN 31 2HE2 GLN 31 -16.665 0.514 1.598 279 H LEU 32 H LEU 32 -15.206 2.137 -5.713 280 HA LEU 32 HA LEU 32 -16.868 4.392 -6.212 281 1HB LEU 32 1HB LEU 32 -14.345 4.196 -6.512 282 2HB LEU 32 2HB LEU 32 -14.614 3.334 -8.000 283 HG LEU 32 HG LEU 32 -14.054 5.552 -8.295 284 1HD1 LEU 32 1HD1 LEU 32 -16.851 5.399 -9.372 285 2HD1 LEU 32 2HD1 LEU 32 -15.498 6.340 -9.972 286 3HD1 LEU 32 3HD1 LEU 32 -15.425 4.574 -10.046 287 1HD2 LEU 32 1HD2 LEU 32 -15.629 7.483 -7.737 288 2HD2 LEU 32 2HD2 LEU 32 -16.661 6.354 -6.869 289 3HD2 LEU 32 3HD2 LEU 32 -15.011 6.645 -6.298 290 H ALA 33 H ALA 33 -15.983 1.754 -8.195 291 HA ALA 33 HA ALA 33 -17.688 1.898 -10.426 292 1HB ALA 33 1HB ALA 33 -16.929 -0.645 -8.916 293 2HB ALA 33 2HB ALA 33 -17.441 -0.532 -10.604 294 3HB ALA 33 3HB ALA 33 -15.891 0.166 -10.109 295 H MET 34 H MET 34 -18.448 0.662 -7.101 296 HA MET 34 HA MET 34 -21.080 -0.041 -7.888 297 1HB MET 34 1HB MET 34 -19.472 0.005 -5.324 298 2HB MET 34 2HB MET 34 -21.194 -0.319 -5.276 299 1HG MET 34 1HG MET 34 -19.422 -1.866 -7.174 300 2HG MET 34 2HG MET 34 -19.547 -2.309 -5.479 301 1HE MET 34 1HE MET 34 -20.099 -4.543 -6.202 302 2HE MET 34 2HE MET 34 -21.620 -5.083 -6.930 303 3HE MET 34 3HE MET 34 -20.375 -4.300 -7.936 304 H GLY 35 H GLY 35 -19.592 2.878 -6.777 305 1HA GLY 35 1HA GLY 35 -20.456 4.937 -6.854 306 2HA GLY 35 2HA GLY 35 -22.136 4.340 -6.840 307 H GLN 36 H GLN 36 -19.506 3.418 -4.602 308 HA GLN 36 HA GLN 36 -21.158 4.520 -2.391 309 1HB GLN 36 1HB GLN 36 -19.366 2.087 -2.261 310 2HB GLN 36 2HB GLN 36 -20.656 2.538 -1.157 311 1HG GLN 36 1HG GLN 36 -20.986 1.712 -4.063 312 2HG GLN 36 2HG GLN 36 -21.173 0.617 -2.695 313 1HE2 GLN 36 1HE2 GLN 36 -23.210 1.732 -4.863 314 2HE2 GLN 36 2HE2 GLN 36 -24.529 2.233 -3.839 315 H LEU 37 H LEU 37 -18.101 4.296 -3.839 316 HA LEU 37 HA LEU 37 -16.350 5.078 -1.717 317 1HB LEU 37 1HB LEU 37 -15.711 4.151 -3.908 318 2HB LEU 37 2HB LEU 37 -15.950 5.753 -4.606 319 HG LEU 37 HG LEU 37 -14.113 5.133 -2.252 320 1HD1 LEU 37 1HD1 LEU 37 -13.603 3.959 -4.468 321 2HD1 LEU 37 2HD1 LEU 37 -13.101 5.541 -5.070 322 3HD1 LEU 37 3HD1 LEU 37 -12.335 4.811 -3.624 323 1HD2 LEU 37 1HD2 LEU 37 -14.257 7.477 -2.228 324 2HD2 LEU 37 2HD2 LEU 37 -12.860 7.232 -3.245 325 3HD2 LEU 37 3HD2 LEU 37 -14.434 7.588 -3.999 326 H LYS 38 H LYS 38 -16.251 6.891 -0.600 327 HA LYS 38 HA LYS 38 -17.778 9.258 -1.254 328 1HB LYS 38 1HB LYS 38 -17.335 8.173 1.016 329 2HB LYS 38 2HB LYS 38 -15.709 8.836 0.949 330 1HG LYS 38 1HG LYS 38 -16.771 11.147 0.744 331 2HG LYS 38 2HG LYS 38 -18.351 10.364 0.939 332 1HD LYS 38 1HD LYS 38 -17.038 9.319 3.103 333 2HD LYS 38 2HD LYS 38 -16.169 10.837 2.935 334 1HE LYS 38 1HE LYS 38 -18.226 12.114 3.155 335 2HE LYS 38 2HE LYS 38 -19.209 10.642 3.082 336 1HZ LYS 38 1HZ LYS 38 -18.502 10.019 5.221 337 2HZ LYS 38 2HZ LYS 38 -17.228 11.059 5.233 338 3HZ LYS 38 3HZ LYS 38 -18.740 11.627 5.353 339 H ASN 39 H ASN 39 -16.714 9.541 -3.339 340 HA ASN 39 HA ASN 39 -15.542 10.741 -4.817 341 1HB ASN 39 1HB ASN 39 -16.109 12.639 -3.658 342 2HB ASN 39 2HB ASN 39 -14.970 12.310 -2.347 343 1HD2 ASN 39 1HD2 ASN 39 -14.574 14.629 -2.714 344 2HD2 ASN 39 2HD2 ASN 39 -13.219 15.012 -3.759 345 H THR 40 H THR 40 -13.969 10.256 -6.012 346 HA THR 40 HA THR 40 -11.925 8.505 -5.551 347 HB THR 40 HB THR 40 -11.011 9.304 -7.714 348 HG1 THR 40 HG1 THR 40 -12.987 11.350 -7.391 349 1HG2 THR 40 1HG2 THR 40 -12.954 7.719 -7.566 350 2HG2 THR 40 2HG2 THR 40 -14.042 9.113 -7.808 351 3HG2 THR 40 3HG2 THR 40 -12.874 8.651 -9.062 352 H SER 41 H SER 41 -11.606 11.961 -4.702 353 HA SER 41 HA SER 41 -8.817 12.196 -4.701 354 1HB SER 41 1HB SER 41 -10.771 13.055 -2.527 355 2HB SER 41 2HB SER 41 -9.134 13.694 -2.797 356 HG SER 41 HG SER 41 -10.973 14.913 -3.725 357 H LEU 42 H LEU 42 -10.928 10.301 -2.474 358 HA LEU 42 HA LEU 42 -8.946 9.549 -0.595 359 1HB LEU 42 1HB LEU 42 -11.289 9.341 -0.160 360 2HB LEU 42 2HB LEU 42 -11.582 8.379 -1.578 361 HG LEU 42 HG LEU 42 -11.711 7.306 0.676 362 1HD1 LEU 42 1HD1 LEU 42 -9.927 5.885 -1.322 363 2HD1 LEU 42 2HD1 LEU 42 -10.948 5.167 -0.072 364 3HD1 LEU 42 3HD1 LEU 42 -11.703 6.026 -1.413 365 1HD2 LEU 42 1HD2 LEU 42 -9.610 8.084 1.717 366 2HD2 LEU 42 2HD2 LEU 42 -9.713 6.309 1.681 367 3HD2 LEU 42 3HD2 LEU 42 -8.673 7.129 0.549 368 H ILE 43 H ILE 43 -10.018 7.976 -3.695 369 HA ILE 43 HA ILE 43 -8.206 5.784 -3.413 370 HB ILE 43 HB ILE 43 -9.923 6.827 -5.568 371 1HG1 ILE 43 1HG1 ILE 43 -10.318 4.889 -3.985 372 2HG1 ILE 43 2HG1 ILE 43 -10.672 4.623 -5.694 373 1HG2 ILE 43 1HG2 ILE 43 -7.969 6.905 -6.952 374 2HG2 ILE 43 2HG2 ILE 43 -7.366 5.348 -6.345 375 3HG2 ILE 43 3HG2 ILE 43 -8.834 5.421 -7.357 376 1HD1 ILE 43 1HD1 ILE 43 -8.328 3.578 -4.081 377 2HD1 ILE 43 2HD1 ILE 43 -9.649 2.659 -4.812 378 3HD1 ILE 43 3HD1 ILE 43 -8.462 3.389 -5.859 379 H LYS 44 H LYS 44 -7.691 8.995 -5.143 380 HA LYS 44 HA LYS 44 -5.094 8.500 -5.960 381 1HB LYS 44 1HB LYS 44 -6.049 10.438 -6.775 382 2HB LYS 44 2HB LYS 44 -6.793 10.874 -5.243 383 1HG LYS 44 1HG LYS 44 -5.096 12.481 -5.845 384 2HG LYS 44 2HG LYS 44 -4.706 11.656 -4.343 385 1HD LYS 44 1HD LYS 44 -3.448 10.077 -6.253 386 2HD LYS 44 2HD LYS 44 -3.290 11.684 -6.958 387 1HE LYS 44 1HE LYS 44 -2.549 10.942 -4.084 388 2HE LYS 44 2HE LYS 44 -1.381 10.972 -5.419 389 1HZ LYS 44 1HZ LYS 44 -2.974 13.362 -4.660 390 2HZ LYS 44 2HZ LYS 44 -1.536 13.056 -3.969 391 3HZ LYS 44 3HZ LYS 44 -1.596 13.321 -5.574 392 H LEU 45 H LEU 45 -6.252 9.508 -2.632 393 HA LEU 45 HA LEU 45 -3.570 10.075 -1.762 394 1HB LEU 45 1HB LEU 45 -6.393 10.030 -0.625 395 2HB LEU 45 2HB LEU 45 -4.959 10.207 0.355 396 HG LEU 45 HG LEU 45 -5.966 12.132 -1.731 397 1HD1 LEU 45 1HD1 LEU 45 -5.188 12.402 1.180 398 2HD1 LEU 45 2HD1 LEU 45 -5.982 13.636 0.174 399 3HD1 LEU 45 3HD1 LEU 45 -6.850 12.149 0.582 400 1HD2 LEU 45 1HD2 LEU 45 -3.227 12.185 -0.394 401 2HD2 LEU 45 2HD2 LEU 45 -3.573 12.178 -2.151 402 3HD2 LEU 45 3HD2 LEU 45 -3.989 13.579 -1.179 403 H THR 46 H THR 46 -5.573 7.291 -2.015 404 HA THR 46 HA THR 46 -4.130 5.728 0.030 405 HB THR 46 HB THR 46 -6.306 5.010 -2.040 406 HG1 THR 46 HG1 THR 46 -7.080 6.548 -0.682 407 1HG2 THR 46 1HG2 THR 46 -5.162 3.491 0.282 408 2HG2 THR 46 2HG2 THR 46 -6.891 3.427 -0.004 409 3HG2 THR 46 3HG2 THR 46 -5.787 2.879 -1.296 410 H LYS 47 H LYS 47 -4.654 5.730 -3.516 411 HA LYS 47 HA LYS 47 -2.892 3.837 -4.410 412 1HB LYS 47 1HB LYS 47 -4.558 5.128 -5.761 413 2HB LYS 47 2HB LYS 47 -3.573 6.576 -5.588 414 1HG LYS 47 1HG LYS 47 -3.272 5.672 -7.755 415 2HG LYS 47 2HG LYS 47 -1.754 5.523 -6.876 416 1HD LYS 47 1HD LYS 47 -2.132 3.139 -6.511 417 2HD LYS 47 2HD LYS 47 -3.788 3.269 -7.132 418 1HE LYS 47 1HE LYS 47 -1.614 4.175 -8.978 419 2HE LYS 47 2HE LYS 47 -1.695 2.435 -8.660 420 1HZ LYS 47 1HZ LYS 47 -3.869 2.342 -9.511 421 2HZ LYS 47 2HZ LYS 47 -4.093 3.953 -9.474 422 3HZ LYS 47 3HZ LYS 47 -3.080 3.288 -10.589 423 H ARG 48 H ARG 48 -2.031 7.269 -3.738 424 HA ARG 48 HA ARG 48 0.675 7.128 -4.456 425 1HB ARG 48 1HB ARG 48 1.001 9.032 -2.937 426 2HB ARG 48 2HB ARG 48 -0.583 9.112 -3.755 427 1HG ARG 48 1HG ARG 48 -1.779 8.497 -1.909 428 2HG ARG 48 2HG ARG 48 -0.359 8.234 -0.899 429 1HD ARG 48 1HD ARG 48 -0.912 10.954 -2.089 430 2HD ARG 48 2HD ARG 48 -1.718 10.420 -0.613 431 HE ARG 48 HE ARG 48 1.016 11.267 -0.866 432 1HH1 ARG 48 2HH2 ARG 48 -1.192 9.284 1.102 433 2HH1 ARG 48 1HH2 ARG 48 -0.043 8.942 2.323 434 1HH2 ARG 48 2HH1 ARG 48 2.462 11.117 0.896 435 2HH2 ARG 48 1HH1 ARG 48 2.077 10.131 2.265 436 H ASP 49 H ASP 49 -0.703 6.309 -1.327 437 HA ASP 49 HA ASP 49 1.839 5.311 -0.177 438 1HB ASP 49 1HB ASP 49 -1.053 5.721 0.614 439 2HB ASP 49 2HB ASP 49 -0.210 4.448 1.463 440 H ILE 50 H ILE 50 -0.923 3.899 -1.978 441 HA ILE 50 HA ILE 50 -0.105 1.182 -1.186 442 HB ILE 50 HB ILE 50 -1.936 2.170 -3.391 443 1HG1 ILE 50 1HG1 ILE 50 -3.251 0.214 -2.388 444 2HG1 ILE 50 2HG1 ILE 50 -1.949 0.026 -1.225 445 1HG2 ILE 50 1HG2 ILE 50 -0.624 0.561 -4.704 446 2HG2 ILE 50 2HG2 ILE 50 -0.667 -0.606 -3.352 447 3HG2 ILE 50 3HG2 ILE 50 -2.133 -0.220 -4.234 448 1HD1 ILE 50 1HD1 ILE 50 -3.910 1.309 -0.366 449 2HD1 ILE 50 2HD1 ILE 50 -2.432 2.269 -0.318 450 3HD1 ILE 50 3HD1 ILE 50 -3.596 2.528 -1.657 451 H ALA 51 H ALA 51 0.537 3.230 -4.079 452 HA ALA 51 HA ALA 51 2.330 1.233 -5.140 453 1HB ALA 51 1HB ALA 51 1.039 2.895 -6.493 454 2HB ALA 51 2HB ALA 51 1.981 4.218 -5.761 455 3HB ALA 51 3HB ALA 51 2.784 3.017 -6.825 456 H ARG 52 H ARG 52 2.720 3.233 -2.589 457 HA ARG 52 HA ARG 52 5.671 3.358 -2.616 458 1HB ARG 52 1HB ARG 52 4.577 5.394 -2.066 459 2HB ARG 52 2HB ARG 52 3.303 4.513 -1.226 460 1HG ARG 52 1HG ARG 52 4.544 6.142 0.114 461 2HG ARG 52 2HG ARG 52 4.010 4.582 0.714 462 1HD ARG 52 1HD ARG 52 5.898 4.120 1.327 463 2HD ARG 52 2HD ARG 52 6.541 4.127 -0.307 464 HE ARG 52 HE ARG 52 7.513 6.208 0.017 465 1HH1 ARG 52 2HH2 ARG 52 5.437 5.629 2.938 466 2HH1 ARG 52 1HH2 ARG 52 6.556 6.538 3.932 467 1HH2 ARG 52 2HH1 ARG 52 8.658 7.652 1.468 468 2HH2 ARG 52 1HH1 ARG 52 8.295 7.546 3.185 469 H ILE 53 H ILE 53 3.102 2.202 -0.349 470 HA ILE 53 HA ILE 53 4.790 0.467 1.182 471 HB ILE 53 HB ILE 53 1.771 0.646 0.815 472 1HG1 ILE 53 1HG1 ILE 53 3.363 1.751 3.157 473 2HG1 ILE 53 2HG1 ILE 53 3.045 2.751 1.750 474 1HG2 ILE 53 1HG2 ILE 53 3.267 -0.449 3.198 475 2HG2 ILE 53 2HG2 ILE 53 1.539 -0.568 2.862 476 3HG2 ILE 53 3HG2 ILE 53 2.686 -1.492 1.876 477 1HD1 ILE 53 1HD1 ILE 53 1.074 1.632 3.712 478 2HD1 ILE 53 2HD1 ILE 53 1.423 3.330 3.322 479 3HD1 ILE 53 3HD1 ILE 53 0.592 2.302 2.123 480 H LYS 54 H LYS 54 2.486 -0.269 -1.480 481 HA LYS 54 HA LYS 54 3.065 -3.013 -1.236 482 1HB LYS 54 1HB LYS 54 1.729 -3.322 -3.193 483 2HB LYS 54 2HB LYS 54 1.047 -1.916 -2.503 484 1HG LYS 54 1HG LYS 54 1.197 -1.326 -4.723 485 2HG LYS 54 2HG LYS 54 2.767 -0.690 -4.210 486 1HD LYS 54 1HD LYS 54 3.962 -2.243 -5.376 487 2HD LYS 54 2HD LYS 54 2.770 -3.538 -5.108 488 1HE LYS 54 1HE LYS 54 1.215 -2.320 -6.710 489 2HE LYS 54 2HE LYS 54 2.551 -1.222 -7.087 490 1HZ LYS 54 1HZ LYS 54 3.815 -3.148 -7.843 491 2HZ LYS 54 2HZ LYS 54 2.532 -4.144 -7.533 492 3HZ LYS 54 3HZ LYS 54 2.425 -2.972 -8.676 493 H THR 55 H THR 55 4.732 -0.392 -2.910 494 HA THR 55 HA THR 55 6.495 -2.048 -4.399 495 HB THR 55 HB THR 55 6.612 0.798 -3.412 496 HG1 THR 55 HG1 THR 55 5.496 1.220 -5.085 497 1HG2 THR 55 1HG2 THR 55 8.877 0.267 -3.995 498 2HG2 THR 55 2HG2 THR 55 8.354 -0.602 -5.458 499 3HG2 THR 55 3HG2 THR 55 8.163 1.163 -5.344 500 H ILE 56 H ILE 56 6.592 -0.913 -0.948 501 HA ILE 56 HA ILE 56 9.323 -1.476 -0.431 502 HB ILE 56 HB ILE 56 6.850 -1.530 1.263 503 1HG1 ILE 56 1HG1 ILE 56 8.007 0.591 0.354 504 2HG1 ILE 56 2HG1 ILE 56 7.476 0.478 2.017 505 1HG2 ILE 56 1HG2 ILE 56 8.134 -3.201 2.411 506 2HG2 ILE 56 2HG2 ILE 56 9.575 -2.179 2.390 507 3HG2 ILE 56 3HG2 ILE 56 8.149 -1.680 3.323 508 1HD1 ILE 56 1HD1 ILE 56 9.673 1.551 1.718 509 2HD1 ILE 56 2HD1 ILE 56 9.684 0.186 2.862 510 3HD1 ILE 56 3HD1 ILE 56 10.349 -0.007 1.206 511 H LEU 57 H LEU 57 6.513 -3.653 -0.441 512 HA LEU 57 HA LEU 57 7.933 -6.079 0.274 513 1HB LEU 57 1HB LEU 57 5.410 -5.547 0.321 514 2HB LEU 57 2HB LEU 57 5.404 -5.978 -1.379 515 HG LEU 57 HG LEU 57 6.672 -7.835 0.691 516 1HD1 LEU 57 1HD1 LEU 57 4.449 -7.421 1.612 517 2HD1 LEU 57 2HD1 LEU 57 3.702 -7.697 0.018 518 3HD1 LEU 57 3HD1 LEU 57 4.501 -9.023 0.891 519 1HD2 LEU 57 1HD2 LEU 57 7.109 -8.341 -1.591 520 2HD2 LEU 57 2HD2 LEU 57 5.999 -9.555 -0.953 521 3HD2 LEU 57 3HD2 LEU 57 5.387 -8.267 -2.016 522 H ARG 58 H ARG 58 7.095 -4.666 -2.937 523 HA ARG 58 HA ARG 58 8.327 -6.626 -4.570 524 1HB ARG 58 1HB ARG 58 7.073 -4.150 -4.967 525 2HB ARG 58 2HB ARG 58 8.721 -3.818 -5.456 526 1HG ARG 58 1HG ARG 58 6.720 -5.751 -6.589 527 2HG ARG 58 2HG ARG 58 7.578 -4.448 -7.388 528 1HD ARG 58 1HD ARG 58 9.526 -5.634 -7.659 529 2HD ARG 58 2HD ARG 58 9.165 -6.869 -6.494 530 HE ARG 58 HE ARG 58 7.314 -7.617 -7.955 531 1HH1 ARG 58 2HH2 ARG 58 10.176 -6.105 -9.475 532 2HH1 ARG 58 1HH2 ARG 58 10.212 -7.319 -10.737 533 1HH2 ARG 58 2HH1 ARG 58 7.318 -8.993 -9.689 534 2HH2 ARG 58 1HH1 ARG 58 8.625 -8.988 -10.828 535 H GLU 59 H GLU 59 9.742 -3.677 -3.130 536 HA GLU 59 HA GLU 59 12.272 -3.883 -4.284 537 1HB GLU 59 1HB GLU 59 11.525 -2.687 -1.620 538 2HB GLU 59 2HB GLU 59 12.953 -2.249 -2.535 539 1HG GLU 59 1HG GLU 59 10.365 -1.941 -4.019 540 2HG GLU 59 2HG GLU 59 10.584 -0.901 -2.627 541 H ARG 60 H ARG 60 10.923 -5.603 -1.493 542 HA ARG 60 HA ARG 60 13.578 -6.553 -0.599 543 1HB ARG 60 1HB ARG 60 10.770 -7.161 0.418 544 2HB ARG 60 2HB ARG 60 12.257 -7.893 1.030 545 1HG ARG 60 1HG ARG 60 12.979 -5.319 1.354 546 2HG ARG 60 2HG ARG 60 11.236 -5.088 1.323 547 1HD ARG 60 1HD ARG 60 11.752 -5.459 3.646 548 2HD ARG 60 2HD ARG 60 11.085 -6.967 3.079 549 HE ARG 60 HE ARG 60 13.096 -8.014 3.360 550 1HH1 ARG 60 2HH2 ARG 60 13.671 -4.553 3.996 551 2HH1 ARG 60 1HH2 ARG 60 15.284 -4.834 4.591 552 1HH2 ARG 60 2HH1 ARG 60 15.284 -8.279 3.897 553 2HH2 ARG 60 1HH1 ARG 60 16.280 -6.922 4.287 554 H GLU 61 H GLU 61 11.083 -7.533 -2.752 555 HA GLU 61 HA GLU 61 11.591 -10.372 -2.660 556 1HB GLU 61 1HB GLU 61 10.313 -8.659 -4.807 557 2HB GLU 61 2HB GLU 61 10.603 -10.372 -4.978 558 1HG GLU 61 1HG GLU 61 9.245 -10.655 -2.771 559 2HG GLU 61 2HG GLU 61 8.807 -8.972 -2.978 560 H LEU 62 H LEU 62 12.702 -7.852 -5.107 561 HA LEU 62 HA LEU 62 14.626 -9.758 -6.103 562 1HB LEU 62 1HB LEU 62 14.983 -6.930 -6.885 563 2HB LEU 62 2HB LEU 62 14.929 -8.392 -7.832 564 HG LEU 62 HG LEU 62 13.155 -7.183 -8.629 565 1HD1 LEU 62 1HD1 LEU 62 11.266 -8.378 -8.396 566 2HD1 LEU 62 2HD1 LEU 62 12.483 -9.525 -7.849 567 3HD1 LEU 62 3HD1 LEU 62 11.472 -8.647 -6.676 568 1HD2 LEU 62 1HD2 LEU 62 11.512 -5.997 -7.091 569 2HD2 LEU 62 2HD2 LEU 62 12.772 -6.173 -5.849 570 3HD2 LEU 62 3HD2 LEU 62 13.111 -5.312 -7.341 571 H GLY 63 H GLY 63 14.697 -7.569 -3.488 572 1HA GLY 63 1HA GLY 63 16.435 -7.019 -2.041 573 2HA GLY 63 2HA GLY 63 17.572 -7.909 -3.069 574 H ILE 64 H ILE 64 15.313 -5.169 -3.716 575 HA ILE 64 HA ILE 64 17.434 -3.318 -4.521 576 HB ILE 64 HB ILE 64 14.433 -3.143 -4.060 577 1HG1 ILE 64 1HG1 ILE 64 15.067 -4.321 -6.152 578 2HG1 ILE 64 2HG1 ILE 64 14.140 -2.854 -6.382 579 1HG2 ILE 64 1HG2 ILE 64 16.394 -0.957 -4.702 580 2HG2 ILE 64 2HG2 ILE 64 14.656 -0.826 -5.075 581 3HG2 ILE 64 3HG2 ILE 64 15.192 -1.049 -3.406 582 1HD1 ILE 64 1HD1 ILE 64 17.144 -3.116 -6.755 583 2HD1 ILE 64 2HD1 ILE 64 15.910 -2.989 -8.034 584 3HD1 ILE 64 3HD1 ILE 64 16.223 -1.616 -6.967 585 H ARG 65 H ARG 65 15.743 -4.623 -1.816 586 HA ARG 65 HA ARG 65 17.059 -2.873 0.152 587 1HB ARG 65 1HB ARG 65 14.093 -3.477 -0.071 588 2HB ARG 65 2HB ARG 65 14.825 -2.923 1.431 589 1HG ARG 65 1HG ARG 65 14.995 -1.320 -1.151 590 2HG ARG 65 2HG ARG 65 13.655 -1.181 -0.032 591 1HD ARG 65 1HD ARG 65 14.992 -0.257 1.692 592 2HD ARG 65 2HD ARG 65 16.492 -0.834 0.965 593 HE ARG 65 HE ARG 65 16.672 1.116 -0.113 594 1HH1 ARG 65 2HH2 ARG 65 13.161 0.633 0.210 595 2HH1 ARG 65 1HH2 ARG 65 12.795 1.939 -0.888 596 1HH2 ARG 65 2HH1 ARG 65 16.151 2.946 -1.294 597 2HH2 ARG 65 1HH1 ARG 65 14.536 3.216 -1.821 598 H ARG 66 H ARG 66 18.286 -4.668 -0.018 599 HA ARG 66 HA ARG 66 17.359 -7.209 1.187 600 1HB ARG 66 1HB ARG 66 20.145 -6.055 0.704 601 2HB ARG 66 2HB ARG 66 19.898 -7.451 1.734 602 1HG ARG 66 1HG ARG 66 18.602 -7.757 -0.924 603 2HG ARG 66 2HG ARG 66 20.338 -7.487 -1.006 604 1HD ARG 66 1HD ARG 66 20.063 -9.834 -0.943 605 2HD ARG 66 2HD ARG 66 20.673 -9.344 0.642 606 HE ARG 66 HE ARG 66 17.752 -9.588 0.414 607 1HH1 ARG 66 2HH2 ARG 66 20.775 -11.308 1.299 608 2HH1 ARG 66 1HH2 ARG 66 19.954 -12.388 2.361 609 1HH2 ARG 66 2HH1 ARG 66 16.724 -11.119 1.756 610 2HH2 ARG 66 1HH1 ARG 66 17.575 -12.338 2.590 Start of MODEL 9 1 1H MET 1 1H MET 1 11.809 9.464 -2.289 2 HA MET 1 HA MET 1 9.601 7.680 -1.447 3 1HB MET 1 1HB MET 1 11.149 7.525 -3.862 4 2HB MET 1 2HB MET 1 11.596 6.173 -2.837 5 1HG MET 1 1HG MET 1 9.780 5.507 -4.235 6 2HG MET 1 2HG MET 1 9.274 5.549 -2.554 7 1HE MET 1 1HE MET 1 6.028 6.240 -4.627 8 2HE MET 1 2HE MET 1 7.412 5.246 -5.120 9 3HE MET 1 3HE MET 1 6.823 5.172 -3.448 10 H LYS 2 H LYS 2 10.076 7.226 0.752 11 HA LYS 2 HA LYS 2 12.309 5.542 0.973 12 1HB LYS 2 1HB LYS 2 13.113 8.091 1.582 13 2HB LYS 2 2HB LYS 2 12.577 7.554 3.172 14 1HG LYS 2 1HG LYS 2 14.085 5.625 3.079 15 2HG LYS 2 2HG LYS 2 14.461 5.936 1.376 16 1HD LYS 2 1HD LYS 2 15.580 7.977 1.874 17 2HD LYS 2 2HD LYS 2 15.088 7.932 3.585 18 1HE LYS 2 1HE LYS 2 16.417 5.920 3.966 19 2HE LYS 2 2HE LYS 2 16.790 5.805 2.235 20 1HZ LYS 2 1HZ LYS 2 17.690 7.959 4.044 21 2HZ LYS 2 2HZ LYS 2 18.629 6.769 3.398 22 3HZ LYS 2 3HZ LYS 2 17.978 7.899 2.416 23 H ALA 3 H ALA 3 12.397 4.867 3.513 24 HA ALA 3 HA ALA 3 9.676 4.679 4.581 25 1HB ALA 3 1HB ALA 3 10.250 2.264 5.267 26 2HB ALA 3 2HB ALA 3 9.755 2.566 3.601 27 3HB ALA 3 3HB ALA 3 11.472 2.291 3.983 28 H SER 4 H SER 4 12.577 3.098 5.505 29 HA SER 4 HA SER 4 13.590 2.695 7.423 30 1HB SER 4 1HB SER 4 12.720 5.436 8.350 31 2HB SER 4 2HB SER 4 13.745 4.313 9.258 32 HG SER 4 HG SER 4 15.023 5.709 8.210 33 H GLU 5 H GLU 5 10.647 4.453 7.938 34 HA GLU 5 HA GLU 5 9.720 3.035 10.263 35 1HB GLU 5 1HB GLU 5 7.746 4.406 10.025 36 2HB GLU 5 2HB GLU 5 9.177 5.350 9.660 37 1HG GLU 5 1HG GLU 5 8.600 4.709 7.143 38 2HG GLU 5 2HG GLU 5 7.011 4.380 7.811 39 H LEU 6 H LEU 6 8.651 2.813 6.848 40 HA LEU 6 HA LEU 6 6.959 0.483 7.393 41 1HB LEU 6 1HB LEU 6 7.906 1.983 4.930 42 2HB LEU 6 2HB LEU 6 7.232 0.389 4.706 43 HG LEU 6 HG LEU 6 5.762 2.619 6.160 44 1HD1 LEU 6 1HD1 LEU 6 4.605 3.050 4.072 45 2HD1 LEU 6 2HD1 LEU 6 6.341 3.174 3.789 46 3HD1 LEU 6 3HD1 LEU 6 5.468 1.722 3.256 47 1HD2 LEU 6 1HD2 LEU 6 4.874 0.380 6.692 48 2HD2 LEU 6 2HD2 LEU 6 3.748 1.256 5.662 49 3HD2 LEU 6 3HD2 LEU 6 4.786 -0.024 4.968 50 H ARG 7 H ARG 7 10.419 0.618 6.866 51 HA ARG 7 HA ARG 7 10.366 -2.235 6.194 52 1HB ARG 7 1HB ARG 7 12.575 -2.029 5.770 53 2HB ARG 7 2HB ARG 7 11.782 -0.778 4.861 54 1HG ARG 7 1HG ARG 7 13.858 0.102 5.511 55 2HG ARG 7 2HG ARG 7 12.710 0.837 6.601 56 1HD ARG 7 1HD ARG 7 13.391 -0.945 8.323 57 2HD ARG 7 2HD ARG 7 14.539 -1.559 7.145 58 HE ARG 7 HE ARG 7 15.882 0.348 7.446 59 1HH1 ARG 7 2HH2 ARG 7 13.177 0.408 9.807 60 2HH1 ARG 7 1HH2 ARG 7 14.259 0.622 11.151 61 1HH2 ARG 7 2HH1 ARG 7 17.204 1.021 9.254 62 2HH2 ARG 7 1HH1 ARG 7 16.410 1.066 10.803 63 H ASN 8 H ASN 8 10.149 -0.315 8.834 64 HA ASN 8 HA ASN 8 12.025 -1.527 10.680 65 1HB ASN 8 1HB ASN 8 10.844 0.854 10.772 66 2HB ASN 8 2HB ASN 8 9.520 -0.021 11.528 67 1HD2 ASN 8 1HD2 ASN 8 9.689 -0.217 13.838 68 2HD2 ASN 8 2HD2 ASN 8 11.202 -0.031 14.668 69 H TYR 9 H TYR 9 9.016 -2.817 9.440 70 HA TYR 9 HA TYR 9 8.085 -3.799 11.983 71 1HB TYR 9 1HB TYR 9 7.108 -3.534 9.129 72 2HB TYR 9 2HB TYR 9 6.344 -4.668 10.208 73 HD1 TYR 9 HD1 TYR 9 5.517 -3.609 12.490 74 HD2 TYR 9 HD2 TYR 9 6.760 -1.324 9.059 75 HE1 TYR 9 HE1 TYR 9 4.423 -1.612 13.437 76 HE2 TYR 9 HE2 TYR 9 5.694 0.710 10.006 77 HH TYR 9 HH TYR 9 4.548 0.710 13.320 78 H THR 10 H THR 10 7.603 -6.232 12.077 79 HA THR 10 HA THR 10 9.954 -7.819 11.309 80 HB THR 10 HB THR 10 8.531 -9.689 12.144 81 HG1 THR 10 HG1 THR 10 6.693 -7.697 12.939 82 1HG2 THR 10 1HG2 THR 10 8.445 -9.022 14.512 83 2HG2 THR 10 2HG2 THR 10 9.937 -8.424 13.757 84 3HG2 THR 10 3HG2 THR 10 8.579 -7.316 14.080 85 H ASP 11 H ASP 11 9.928 -9.257 9.437 86 HA ASP 11 HA ASP 11 8.683 -9.147 7.176 87 1HB ASP 11 1HB ASP 11 9.667 -11.499 8.738 88 2HB ASP 11 2HB ASP 11 8.757 -11.812 7.272 89 H GLU 12 H GLU 12 7.047 -10.360 10.041 90 HA GLU 12 HA GLU 12 4.844 -11.364 8.462 91 1HB GLU 12 1HB GLU 12 5.600 -12.408 10.613 92 2HB GLU 12 2HB GLU 12 4.987 -10.996 11.485 93 1HG GLU 12 1HG GLU 12 2.742 -11.436 10.536 94 2HG GLU 12 2HG GLU 12 3.363 -12.834 9.658 95 H GLU 13 H GLU 13 5.390 -8.661 10.802 96 HA GLU 13 HA GLU 13 2.913 -7.310 10.399 97 1HB GLU 13 1HB GLU 13 5.731 -6.495 11.112 98 2HB GLU 13 2HB GLU 13 4.441 -5.297 11.071 99 1HG GLU 13 1HG GLU 13 3.224 -6.531 12.809 100 2HG GLU 13 2HG GLU 13 4.410 -7.822 12.795 101 H LEU 14 H LEU 14 5.916 -7.338 8.597 102 HA LEU 14 HA LEU 14 5.569 -5.061 6.926 103 1HB LEU 14 1HB LEU 14 7.144 -7.684 6.736 104 2HB LEU 14 2HB LEU 14 6.921 -6.784 5.288 105 HG LEU 14 HG LEU 14 8.796 -5.863 5.577 106 1HD1 LEU 14 1HD1 LEU 14 8.555 -4.492 8.128 107 2HD1 LEU 14 2HD1 LEU 14 9.139 -3.922 6.580 108 3HD1 LEU 14 3HD1 LEU 14 7.395 -3.987 6.845 109 1HD2 LEU 14 1HD2 LEU 14 9.813 -7.517 6.742 110 2HD2 LEU 14 2HD2 LEU 14 10.432 -5.941 7.203 111 3HD2 LEU 14 3HD2 LEU 14 9.328 -6.741 8.276 112 H LYS 15 H LYS 15 4.887 -8.526 6.116 113 HA LYS 15 HA LYS 15 3.488 -7.827 3.769 114 1HB LYS 15 1HB LYS 15 2.553 -10.076 3.896 115 2HB LYS 15 2HB LYS 15 4.311 -9.994 3.887 116 1HG LYS 15 1HG LYS 15 4.030 -11.665 5.417 117 2HG LYS 15 2HG LYS 15 4.074 -10.296 6.476 118 1HD LYS 15 1HD LYS 15 2.328 -11.704 7.267 119 2HD LYS 15 2HD LYS 15 1.460 -10.436 6.407 120 1HE LYS 15 1HE LYS 15 1.636 -12.044 4.340 121 2HE LYS 15 2HE LYS 15 2.011 -13.275 5.559 122 1HZ LYS 15 1HZ LYS 15 -0.103 -12.614 6.656 123 2HZ LYS 15 2HZ LYS 15 -0.419 -11.597 5.423 124 3HZ LYS 15 3HZ LYS 15 -0.351 -13.227 5.160 125 H ASN 16 H ASN 16 2.411 -8.344 7.182 126 HA ASN 16 HA ASN 16 -0.332 -8.278 6.529 127 1HB ASN 16 1HB ASN 16 0.779 -9.062 8.679 128 2HB ASN 16 2HB ASN 16 0.882 -7.359 9.132 129 1HD2 ASN 16 1HD2 ASN 16 -1.435 -10.054 8.340 130 2HD2 ASN 16 2HD2 ASN 16 -2.791 -9.266 9.092 131 H LEU 17 H LEU 17 1.888 -5.765 6.384 132 HA LEU 17 HA LEU 17 -0.197 -3.617 6.873 133 1HB LEU 17 1HB LEU 17 2.807 -3.658 7.033 134 2HB LEU 17 2HB LEU 17 2.077 -2.241 6.295 135 HG LEU 17 HG LEU 17 0.698 -1.821 8.245 136 1HD1 LEU 17 1HD1 LEU 17 2.225 -3.997 9.718 137 2HD1 LEU 17 2HD1 LEU 17 0.985 -2.920 10.374 138 3HD1 LEU 17 3HD1 LEU 17 0.539 -4.152 9.185 139 1HD2 LEU 17 1HD2 LEU 17 2.614 -1.158 9.766 140 2HD2 LEU 17 2HD2 LEU 17 3.684 -2.128 8.756 141 3HD2 LEU 17 3HD2 LEU 17 2.863 -0.713 8.063 142 H LEU 18 H LEU 18 2.165 -4.883 4.548 143 HA LEU 18 HA LEU 18 1.267 -2.902 2.553 144 1HB LEU 18 1HB LEU 18 2.813 -5.206 1.532 145 2HB LEU 18 2HB LEU 18 3.055 -3.566 1.265 146 HG LEU 18 HG LEU 18 4.149 -5.316 3.386 147 1HD1 LEU 18 1HD1 LEU 18 5.549 -3.507 1.471 148 2HD1 LEU 18 2HD1 LEU 18 6.322 -4.421 2.788 149 3HD1 LEU 18 3HD1 LEU 18 5.507 -5.301 1.534 150 1HD2 LEU 18 1HD2 LEU 18 3.496 -3.104 4.567 151 2HD2 LEU 18 2HD2 LEU 18 5.178 -3.522 4.637 152 3HD2 LEU 18 3HD2 LEU 18 4.643 -2.305 3.463 153 H GLU 19 H GLU 19 0.655 -6.209 3.287 154 HA GLU 19 HA GLU 19 -1.021 -6.739 1.031 155 1HB GLU 19 1HB GLU 19 -1.853 -8.580 2.127 156 2HB GLU 19 2HB GLU 19 -0.241 -8.339 2.826 157 1HG GLU 19 1HG GLU 19 -1.184 -7.314 4.783 158 2HG GLU 19 2HG GLU 19 -2.824 -7.575 4.172 159 H GLU 20 H GLU 20 -1.675 -4.838 3.974 160 HA GLU 20 HA GLU 20 -4.455 -4.585 3.511 161 1HB GLU 20 1HB GLU 20 -3.350 -4.195 5.683 162 2HB GLU 20 2HB GLU 20 -2.563 -2.757 5.011 163 1HG GLU 20 1HG GLU 20 -4.768 -1.708 4.626 164 2HG GLU 20 2HG GLU 20 -5.551 -3.129 5.349 165 H LYS 21 H LYS 21 -1.809 -2.172 2.791 166 HA LYS 21 HA LYS 21 -3.427 -0.474 1.379 167 1HB LYS 21 1HB LYS 21 -0.441 -1.053 1.172 168 2HB LYS 21 2HB LYS 21 -1.203 0.451 0.744 169 1HG LYS 21 1HG LYS 21 -0.943 -0.747 3.508 170 2HG LYS 21 2HG LYS 21 -0.184 0.686 2.914 171 1HD LYS 21 1HD LYS 21 -3.185 0.436 3.324 172 2HD LYS 21 2HD LYS 21 -2.053 0.989 4.537 173 1HE LYS 21 1HE LYS 21 -1.328 2.838 3.027 174 2HE LYS 21 2HE LYS 21 -2.567 2.358 1.863 175 1HZ LYS 21 1HZ LYS 21 -3.087 3.127 4.691 176 2HZ LYS 21 2HZ LYS 21 -3.372 4.114 3.443 177 3HZ LYS 21 3HZ LYS 21 -4.256 2.746 3.610 178 H LYS 22 H LYS 22 -1.323 -3.134 -0.089 179 HA LYS 22 HA LYS 22 -2.244 -2.701 -2.656 180 1HB LYS 22 1HB LYS 22 -1.332 -4.707 -3.306 181 2HB LYS 22 2HB LYS 22 -0.450 -4.361 -1.828 182 1HG LYS 22 1HG LYS 22 -2.186 -5.861 -0.668 183 2HG LYS 22 2HG LYS 22 -2.694 -6.366 -2.276 184 1HD LYS 22 1HD LYS 22 -0.401 -7.239 -2.691 185 2HD LYS 22 2HD LYS 22 0.086 -6.720 -1.058 186 1HE LYS 22 1HE LYS 22 -1.863 -8.136 -0.156 187 2HE LYS 22 2HE LYS 22 -2.074 -8.758 -1.790 188 1HZ LYS 22 1HZ LYS 22 -0.775 -10.224 -0.432 189 2HZ LYS 22 2HZ LYS 22 0.173 -9.667 -1.660 190 3HZ LYS 22 3HZ LYS 22 0.368 -9.089 -0.141 191 H ARG 23 H ARG 23 -4.096 -4.515 -0.076 192 HA ARG 23 HA ARG 23 -6.163 -5.296 -1.996 193 1HB ARG 23 1HB ARG 23 -7.393 -6.129 -0.180 194 2HB ARG 23 2HB ARG 23 -5.712 -6.594 0.072 195 1HG ARG 23 1HG ARG 23 -5.486 -4.960 1.782 196 2HG ARG 23 2HG ARG 23 -7.117 -4.326 1.650 197 1HD ARG 23 1HD ARG 23 -6.052 -7.123 2.471 198 2HD ARG 23 2HD ARG 23 -6.815 -5.930 3.529 199 HE ARG 23 HE ARG 23 -8.910 -6.467 2.757 200 1HH1 ARG 23 2HH2 ARG 23 -6.581 -8.682 1.050 201 2HH1 ARG 23 1HH2 ARG 23 -7.895 -9.774 0.701 202 1HH2 ARG 23 2HH1 ARG 23 -10.391 -7.922 2.289 203 2HH2 ARG 23 1HH1 ARG 23 -10.059 -9.424 1.452 204 H GLN 24 H GLN 24 -5.860 -2.732 0.462 205 HA GLN 24 HA GLN 24 -8.372 -1.657 0.487 206 1HB GLN 24 1HB GLN 24 -5.581 -0.515 0.640 207 2HB GLN 24 2HB GLN 24 -6.943 0.581 0.491 208 1HG GLN 24 1HG GLN 24 -7.894 -0.716 2.561 209 2HG GLN 24 2HG GLN 24 -6.289 -1.259 2.699 210 1HE2 GLN 24 1HE2 GLN 24 -7.052 0.254 4.899 211 2HE2 GLN 24 2HE2 GLN 24 -6.286 1.819 4.824 212 H LEU 25 H LEU 25 -5.688 -0.867 -1.856 213 HA LEU 25 HA LEU 25 -7.229 1.035 -3.257 214 1HB LEU 25 1HB LEU 25 -4.838 0.720 -3.701 215 2HB LEU 25 2HB LEU 25 -5.163 -0.938 -4.264 216 HG LEU 25 HG LEU 25 -6.558 0.179 -6.154 217 1HD1 LEU 25 1HD1 LEU 25 -5.038 2.685 -5.334 218 2HD1 LEU 25 2HD1 LEU 25 -6.445 2.498 -6.454 219 3HD1 LEU 25 3HD1 LEU 25 -6.627 2.367 -4.724 220 1HD2 LEU 25 1HD2 LEU 25 -3.630 0.985 -6.195 221 2HD2 LEU 25 2HD2 LEU 25 -4.232 -0.643 -6.556 222 3HD2 LEU 25 3HD2 LEU 25 -4.721 0.717 -7.575 223 H MET 26 H MET 26 -6.820 -2.425 -3.999 224 HA MET 26 HA MET 26 -8.646 -2.699 -6.037 225 1HB MET 26 1HB MET 26 -6.958 -4.306 -4.787 226 2HB MET 26 2HB MET 26 -8.397 -4.855 -3.908 227 1HG MET 26 1HG MET 26 -9.417 -5.095 -6.264 228 2HG MET 26 2HG MET 26 -7.749 -4.927 -6.846 229 1HE MET 26 1HE MET 26 -6.147 -6.563 -4.598 230 2HE MET 26 2HE MET 26 -6.199 -8.254 -5.148 231 3HE MET 26 3HE MET 26 -5.832 -6.963 -6.305 232 H GLU 27 H GLU 27 -9.477 -2.242 -2.645 233 HA GLU 27 HA GLU 27 -12.253 -3.275 -3.031 234 1HB GLU 27 1HB GLU 27 -11.744 -3.958 -0.920 235 2HB GLU 27 2HB GLU 27 -10.360 -2.862 -0.780 236 1HG GLU 27 1HG GLU 27 -11.785 -1.023 -0.208 237 2HG GLU 27 2HG GLU 27 -13.231 -2.063 -0.287 238 H LEU 28 H LEU 28 -10.455 -0.257 -2.267 239 HA LEU 28 HA LEU 28 -12.823 1.297 -2.029 240 1HB LEU 28 1HB LEU 28 -9.933 1.994 -2.642 241 2HB LEU 28 2HB LEU 28 -11.191 3.155 -2.231 242 HG LEU 28 HG LEU 28 -10.053 0.935 -0.486 243 1HD1 LEU 28 1HD1 LEU 28 -9.599 3.388 0.738 244 2HD1 LEU 28 2HD1 LEU 28 -8.463 2.350 -0.101 245 3HD1 LEU 28 3HD1 LEU 28 -9.268 3.674 -0.988 246 1HD2 LEU 28 1HD2 LEU 28 -11.161 1.736 1.395 247 2HD2 LEU 28 2HD2 LEU 28 -12.136 2.872 0.393 248 3HD2 LEU 28 3HD2 LEU 28 -12.286 1.092 0.216 249 H ARG 29 H ARG 29 -10.737 0.418 -4.765 250 HA ARG 29 HA ARG 29 -12.157 1.986 -6.672 251 1HB ARG 29 1HB ARG 29 -11.268 0.763 -8.417 252 2HB ARG 29 2HB ARG 29 -9.999 1.082 -7.245 253 1HG ARG 29 1HG ARG 29 -10.017 -1.166 -6.550 254 2HG ARG 29 2HG ARG 29 -11.484 -1.582 -7.427 255 1HD ARG 29 1HD ARG 29 -9.000 -0.576 -8.858 256 2HD ARG 29 2HD ARG 29 -9.254 -2.283 -8.488 257 HE ARG 29 HE ARG 29 -11.080 -2.429 -9.913 258 1HH1 ARG 29 2HH2 ARG 29 -9.844 0.945 -10.128 259 2HH1 ARG 29 1HH2 ARG 29 -10.631 1.230 -11.631 260 1HH2 ARG 29 2HH1 ARG 29 -11.945 -2.014 -11.986 261 2HH2 ARG 29 1HH1 ARG 29 -12.153 -0.364 -12.474 262 H PHE 30 H PHE 30 -12.990 -0.999 -5.091 263 HA PHE 30 HA PHE 30 -15.172 -1.710 -6.882 264 1HB PHE 30 1HB PHE 30 -14.102 -3.542 -5.779 265 2HB PHE 30 2HB PHE 30 -14.093 -2.781 -4.269 266 HD1 PHE 30 HD1 PHE 30 -16.521 -4.230 -6.708 267 HD2 PHE 30 HD2 PHE 30 -15.725 -3.042 -2.634 268 HE1 PHE 30 HE1 PHE 30 -18.600 -5.378 -5.945 269 HE2 PHE 30 HE2 PHE 30 -17.802 -4.172 -1.908 270 HZ PHE 30 HZ PHE 30 -19.252 -5.324 -3.562 271 H GLN 31 H GLN 31 -14.808 0.567 -3.991 272 HA GLN 31 HA GLN 31 -17.644 0.521 -3.498 273 1HB GLN 31 1HB GLN 31 -15.322 2.310 -2.603 274 2HB GLN 31 2HB GLN 31 -16.992 2.522 -2.100 275 1HG GLN 31 1HG GLN 31 -16.992 0.205 -1.153 276 2HG GLN 31 2HG GLN 31 -15.268 0.095 -1.495 277 1HE2 GLN 31 1HE2 GLN 31 -17.332 0.616 1.067 278 2HE2 GLN 31 2HE2 GLN 31 -16.196 1.554 2.009 279 H LEU 32 H LEU 32 -15.111 2.422 -5.096 280 HA LEU 32 HA LEU 32 -16.684 4.529 -6.117 281 1HB LEU 32 1HB LEU 32 -14.246 4.487 -6.173 282 2HB LEU 32 2HB LEU 32 -14.202 3.111 -7.162 283 HG LEU 32 HG LEU 32 -13.658 5.111 -8.333 284 1HD1 LEU 32 1HD1 LEU 32 -16.316 4.600 -9.605 285 2HD1 LEU 32 2HD1 LEU 32 -14.775 5.070 -10.336 286 3HD1 LEU 32 3HD1 LEU 32 -14.976 3.429 -9.707 287 1HD2 LEU 32 1HD2 LEU 32 -14.927 6.745 -6.979 288 2HD2 LEU 32 2HD2 LEU 32 -15.321 6.974 -8.692 289 3HD2 LEU 32 3HD2 LEU 32 -16.461 6.144 -7.630 290 H ALA 33 H ALA 33 -15.811 1.497 -7.712 291 HA ALA 33 HA ALA 33 -17.279 1.760 -10.029 292 1HB ALA 33 1HB ALA 33 -16.766 -0.794 -8.450 293 2HB ALA 33 2HB ALA 33 -17.205 -0.694 -10.162 294 3HB ALA 33 3HB ALA 33 -15.656 -0.039 -9.630 295 H MET 34 H MET 34 -18.421 0.590 -6.793 296 HA MET 34 HA MET 34 -21.006 -0.019 -7.721 297 1HB MET 34 1HB MET 34 -19.678 0.256 -4.998 298 2HB MET 34 2HB MET 34 -21.356 -0.181 -5.166 299 1HG MET 34 1HG MET 34 -19.561 -1.859 -6.820 300 2HG MET 34 2HG MET 34 -19.205 -1.912 -5.101 301 1HE MET 34 1HE MET 34 -22.710 -1.588 -6.957 302 2HE MET 34 2HE MET 34 -21.855 -2.831 -7.886 303 3HE MET 34 3HE MET 34 -23.250 -3.280 -6.887 304 H GLY 35 H GLY 35 -19.457 2.883 -6.958 305 1HA GLY 35 1HA GLY 35 -20.286 4.850 -7.686 306 2HA GLY 35 2HA GLY 35 -21.918 4.494 -7.088 307 H GLN 36 H GLN 36 -19.329 3.752 -4.822 308 HA GLN 36 HA GLN 36 -20.884 5.545 -3.085 309 1HB GLN 36 1HB GLN 36 -18.958 3.349 -2.322 310 2HB GLN 36 2HB GLN 36 -20.319 3.950 -1.384 311 1HG GLN 36 1HG GLN 36 -21.901 2.896 -2.939 312 2HG GLN 36 2HG GLN 36 -20.594 2.453 -4.034 313 1HE2 GLN 36 1HE2 GLN 36 -22.606 0.694 -2.477 314 2HE2 GLN 36 2HE2 GLN 36 -21.547 -0.426 -1.678 315 H LEU 37 H LEU 37 -17.628 4.953 -4.097 316 HA LEU 37 HA LEU 37 -16.115 6.452 -2.203 317 1HB LEU 37 1HB LEU 37 -15.540 4.759 -4.030 318 2HB LEU 37 2HB LEU 37 -15.557 6.118 -5.113 319 HG LEU 37 HG LEU 37 -13.342 5.657 -4.688 320 1HD1 LEU 37 1HD1 LEU 37 -13.848 7.864 -2.708 321 2HD1 LEU 37 2HD1 LEU 37 -12.353 7.504 -3.612 322 3HD1 LEU 37 3HD1 LEU 37 -13.792 8.023 -4.486 323 1HD2 LEU 37 1HD2 LEU 37 -13.680 4.039 -2.989 324 2HD2 LEU 37 2HD2 LEU 37 -12.375 5.148 -2.512 325 3HD2 LEU 37 3HD2 LEU 37 -13.984 5.298 -1.764 326 H LYS 38 H LYS 38 -16.362 8.657 -1.754 327 HA LYS 38 HA LYS 38 -17.712 10.562 -3.354 328 1HB LYS 38 1HB LYS 38 -16.099 10.524 -0.858 329 2HB LYS 38 2HB LYS 38 -15.726 11.934 -1.810 330 1HG LYS 38 1HG LYS 38 -17.472 12.956 -0.942 331 2HG LYS 38 2HG LYS 38 -18.492 11.915 -1.928 332 1HD LYS 38 1HD LYS 38 -18.297 10.218 0.063 333 2HD LYS 38 2HD LYS 38 -17.726 11.609 0.994 334 1HE LYS 38 1HE LYS 38 -20.366 11.282 -0.489 335 2HE LYS 38 2HE LYS 38 -20.163 11.286 1.262 336 1HZ LYS 38 1HZ LYS 38 -19.607 13.611 -0.484 337 2HZ LYS 38 2HZ LYS 38 -21.004 13.379 0.300 338 3HZ LYS 38 3HZ LYS 38 -19.611 13.633 1.154 339 H ASN 39 H ASN 39 -16.803 12.447 -4.408 340 HA ASN 39 HA ASN 39 -15.773 12.475 -6.644 341 1HB ASN 39 1HB ASN 39 -14.924 14.516 -4.558 342 2HB ASN 39 2HB ASN 39 -14.713 14.751 -6.292 343 1HD2 ASN 39 1HD2 ASN 39 -17.024 14.877 -3.707 344 2HD2 ASN 39 2HD2 ASN 39 -18.432 15.068 -4.709 345 H THR 40 H THR 40 -14.341 10.466 -6.228 346 HA THR 40 HA THR 40 -12.310 9.493 -5.870 347 HB THR 40 HB THR 40 -11.169 9.677 -8.190 348 HG1 THR 40 HG1 THR 40 -13.612 10.201 -9.241 349 1HG2 THR 40 1HG2 THR 40 -13.943 8.605 -7.717 350 2HG2 THR 40 2HG2 THR 40 -12.837 8.061 -9.004 351 3HG2 THR 40 3HG2 THR 40 -12.424 7.777 -7.308 352 H SER 41 H SER 41 -11.870 11.515 -4.211 353 HA SER 41 HA SER 41 -8.993 12.124 -4.695 354 1HB SER 41 1HB SER 41 -10.892 12.858 -2.431 355 2HB SER 41 2HB SER 41 -9.162 13.184 -2.471 356 HG SER 41 HG SER 41 -11.032 14.060 -4.428 357 H LEU 42 H LEU 42 -11.224 10.029 -2.836 358 HA LEU 42 HA LEU 42 -9.252 9.353 -0.892 359 1HB LEU 42 1HB LEU 42 -11.732 9.175 -0.612 360 2HB LEU 42 2HB LEU 42 -11.712 7.667 -1.524 361 HG LEU 42 HG LEU 42 -9.849 7.989 0.821 362 1HD1 LEU 42 1HD1 LEU 42 -12.028 8.745 1.691 363 2HD1 LEU 42 2HD1 LEU 42 -12.804 7.273 1.070 364 3HD1 LEU 42 3HD1 LEU 42 -11.601 7.167 2.366 365 1HD2 LEU 42 1HD2 LEU 42 -10.259 5.584 1.124 366 2HD2 LEU 42 2HD2 LEU 42 -11.409 5.576 -0.222 367 3HD2 LEU 42 3HD2 LEU 42 -9.681 5.891 -0.501 368 H ILE 43 H ILE 43 -10.319 7.542 -3.832 369 HA ILE 43 HA ILE 43 -8.443 5.423 -3.455 370 HB ILE 43 HB ILE 43 -10.209 6.360 -5.606 371 1HG1 ILE 43 1HG1 ILE 43 -10.671 4.434 -4.126 372 2HG1 ILE 43 2HG1 ILE 43 -10.820 4.110 -5.852 373 1HG2 ILE 43 1HG2 ILE 43 -7.604 4.937 -6.334 374 2HG2 ILE 43 2HG2 ILE 43 -9.038 4.983 -7.403 375 3HG2 ILE 43 3HG2 ILE 43 -8.168 6.460 -6.983 376 1HD1 ILE 43 1HD1 ILE 43 -8.407 3.378 -4.143 377 2HD1 ILE 43 2HD1 ILE 43 -9.636 2.265 -4.696 378 3HD1 ILE 43 3HD1 ILE 43 -8.629 2.989 -5.888 379 H LYS 44 H LYS 44 -8.163 8.563 -5.235 380 HA LYS 44 HA LYS 44 -5.620 8.182 -6.264 381 1HB LYS 44 1HB LYS 44 -7.161 9.842 -6.972 382 2HB LYS 44 2HB LYS 44 -7.229 10.620 -5.410 383 1HG LYS 44 1HG LYS 44 -4.625 10.525 -6.941 384 2HG LYS 44 2HG LYS 44 -5.948 11.590 -7.413 385 1HD LYS 44 1HD LYS 44 -4.922 13.055 -6.149 386 2HD LYS 44 2HD LYS 44 -5.937 12.375 -4.894 387 1HE LYS 44 1HE LYS 44 -4.159 11.648 -3.702 388 2HE LYS 44 2HE LYS 44 -3.412 10.894 -5.132 389 1HZ LYS 44 1HZ LYS 44 -3.329 13.817 -4.601 390 2HZ LYS 44 2HZ LYS 44 -2.092 12.806 -4.182 391 3HZ LYS 44 3HZ LYS 44 -2.512 13.004 -5.761 392 H LEU 45 H LEU 45 -6.469 9.493 -2.997 393 HA LEU 45 HA LEU 45 -3.922 10.042 -2.049 394 1HB LEU 45 1HB LEU 45 -6.123 10.976 -1.392 395 2HB LEU 45 2HB LEU 45 -6.720 9.400 -0.939 396 HG LEU 45 HG LEU 45 -6.095 11.054 0.838 397 1HD1 LEU 45 1HD1 LEU 45 -4.803 8.289 1.035 398 2HD1 LEU 45 2HD1 LEU 45 -5.298 9.319 2.383 399 3HD1 LEU 45 3HD1 LEU 45 -6.525 8.648 1.285 400 1HD2 LEU 45 1HD2 LEU 45 -3.957 11.645 -0.316 401 2HD2 LEU 45 2HD2 LEU 45 -3.821 11.361 1.441 402 3HD2 LEU 45 3HD2 LEU 45 -3.304 10.101 0.292 403 H THR 46 H THR 46 -6.113 7.169 -1.966 404 HA THR 46 HA THR 46 -4.422 5.532 -0.321 405 HB THR 46 HB THR 46 -6.676 5.159 -2.335 406 HG1 THR 46 HG1 THR 46 -7.369 6.119 -0.566 407 1HG2 THR 46 1HG2 THR 46 -7.191 3.016 -1.655 408 2HG2 THR 46 2HG2 THR 46 -5.627 3.021 -2.358 409 3HG2 THR 46 3HG2 THR 46 -5.808 2.891 -0.546 410 H LYS 47 H LYS 47 -4.641 5.916 -3.952 411 HA LYS 47 HA LYS 47 -2.758 4.002 -4.624 412 1HB LYS 47 1HB LYS 47 -3.050 6.813 -5.878 413 2HB LYS 47 2HB LYS 47 -2.133 5.538 -6.619 414 1HG LYS 47 1HG LYS 47 -5.088 5.258 -6.132 415 2HG LYS 47 2HG LYS 47 -4.452 6.118 -7.523 416 1HD LYS 47 1HD LYS 47 -3.384 3.349 -6.865 417 2HD LYS 47 2HD LYS 47 -4.988 3.475 -7.563 418 1HE LYS 47 1HE LYS 47 -2.683 4.774 -9.001 419 2HE LYS 47 2HE LYS 47 -3.070 3.055 -9.172 420 1HZ LYS 47 1HZ LYS 47 -4.799 5.316 -9.938 421 2HZ LYS 47 2HZ LYS 47 -4.295 4.078 -10.860 422 3HZ LYS 47 3HZ LYS 47 -5.398 3.787 -9.727 423 H ARG 48 H ARG 48 -2.115 7.361 -3.564 424 HA ARG 48 HA ARG 48 0.631 7.362 -4.348 425 1HB ARG 48 1HB ARG 48 0.694 9.441 -3.391 426 2HB ARG 48 2HB ARG 48 -1.062 9.242 -3.430 427 1HG ARG 48 1HG ARG 48 -0.804 8.410 -0.965 428 2HG ARG 48 2HG ARG 48 0.815 9.115 -1.059 429 1HD ARG 48 1HD ARG 48 -0.241 11.280 -1.661 430 2HD ARG 48 2HD ARG 48 -1.855 10.524 -1.521 431 HE ARG 48 HE ARG 48 -0.747 9.922 0.881 432 1HH1 ARG 48 2HH2 ARG 48 -0.984 13.033 -0.831 433 2HH1 ARG 48 1HH2 ARG 48 -0.996 13.981 0.633 434 1HH2 ARG 48 2HH1 ARG 48 -1.183 11.227 2.781 435 2HH2 ARG 48 1HH1 ARG 48 -0.984 12.933 2.713 436 H ASP 49 H ASP 49 -0.997 6.320 -1.379 437 HA ASP 49 HA ASP 49 1.498 5.623 -0.100 438 1HB ASP 49 1HB ASP 49 -1.384 5.780 0.510 439 2HB ASP 49 2HB ASP 49 -0.526 4.618 1.448 440 H ILE 50 H ILE 50 -1.125 3.960 -1.866 441 HA ILE 50 HA ILE 50 -0.183 1.359 -1.280 442 HB ILE 50 HB ILE 50 -1.968 2.539 -3.353 443 1HG1 ILE 50 1HG1 ILE 50 -3.139 0.243 -2.640 444 2HG1 ILE 50 2HG1 ILE 50 -1.979 0.275 -1.356 445 1HG2 ILE 50 1HG2 ILE 50 -0.658 -0.103 -4.005 446 2HG2 ILE 50 2HG2 ILE 50 -2.247 0.353 -4.595 447 3HG2 ILE 50 3HG2 ILE 50 -0.833 1.332 -5.033 448 1HD1 ILE 50 1HD1 ILE 50 -4.092 1.238 -0.751 449 2HD1 ILE 50 2HD1 ILE 50 -2.696 2.256 -0.470 450 3HD1 ILE 50 3HD1 ILE 50 -3.680 2.559 -1.982 451 H ALA 51 H ALA 51 0.609 3.428 -4.093 452 HA ALA 51 HA ALA 51 2.571 1.489 -4.983 453 1HB ALA 51 1HB ALA 51 1.324 3.151 -6.444 454 2HB ALA 51 2HB ALA 51 2.189 4.476 -5.634 455 3HB ALA 51 3HB ALA 51 3.098 3.314 -6.641 456 H ARG 52 H ARG 52 2.689 3.540 -2.339 457 HA ARG 52 HA ARG 52 5.677 3.607 -2.258 458 1HB ARG 52 1HB ARG 52 4.390 5.579 -1.630 459 2HB ARG 52 2HB ARG 52 3.551 4.695 -0.365 460 1HG ARG 52 1HG ARG 52 6.556 5.019 -0.258 461 2HG ARG 52 2HG ARG 52 5.461 6.326 0.181 462 1HD ARG 52 1HD ARG 52 4.255 4.404 1.615 463 2HD ARG 52 2HD ARG 52 5.891 3.715 1.539 464 HE ARG 52 HE ARG 52 6.464 5.289 3.179 465 1HH1 ARG 52 2HH2 ARG 52 3.235 6.404 2.004 466 2HH1 ARG 52 1HH2 ARG 52 3.404 7.883 2.770 467 1HH2 ARG 52 2HH1 ARG 52 6.361 7.125 4.438 468 2HH2 ARG 52 1HH1 ARG 52 5.129 8.302 4.244 469 H ILE 53 H ILE 53 2.933 2.296 -0.197 470 HA ILE 53 HA ILE 53 4.688 0.545 1.236 471 HB ILE 53 HB ILE 53 1.671 0.590 0.908 472 1HG1 ILE 53 1HG1 ILE 53 2.798 1.582 3.478 473 2HG1 ILE 53 2HG1 ILE 53 3.400 2.510 2.145 474 1HG2 ILE 53 1HG2 ILE 53 3.335 -0.571 3.175 475 2HG2 ILE 53 2HG2 ILE 53 1.580 -0.648 2.997 476 3HG2 ILE 53 3HG2 ILE 53 2.643 -1.542 1.883 477 1HD1 ILE 53 1HD1 ILE 53 0.810 2.602 3.414 478 2HD1 ILE 53 2HD1 ILE 53 1.601 3.763 2.344 479 3HD1 ILE 53 3HD1 ILE 53 0.634 2.431 1.670 480 H LYS 54 H LYS 54 2.576 -0.210 -1.640 481 HA LYS 54 HA LYS 54 3.459 -2.920 -1.472 482 1HB LYS 54 1HB LYS 54 2.438 -3.310 -3.590 483 2HB LYS 54 2HB LYS 54 1.304 -2.378 -2.749 484 1HG LYS 54 1HG LYS 54 1.394 -1.265 -4.842 485 2HG LYS 54 2HG LYS 54 2.837 -0.465 -4.182 486 1HD LYS 54 1HD LYS 54 4.326 -1.980 -5.261 487 2HD LYS 54 2HD LYS 54 3.022 -3.119 -5.630 488 1HE LYS 54 1HE LYS 54 2.083 -1.610 -7.249 489 2HE LYS 54 2HE LYS 54 3.287 -0.359 -6.867 490 1HZ LYS 54 1HZ LYS 54 5.003 -1.743 -7.697 491 2HZ LYS 54 2HZ LYS 54 4.030 -3.059 -7.828 492 3HZ LYS 54 3HZ LYS 54 3.824 -1.751 -8.833 493 H THR 55 H THR 55 4.851 -0.047 -2.912 494 HA THR 55 HA THR 55 6.885 -1.326 -4.453 495 HB THR 55 HB THR 55 6.452 1.353 -3.195 496 HG1 THR 55 HG1 THR 55 5.879 1.845 -5.035 497 1HG2 THR 55 1HG2 THR 55 8.846 1.165 -2.962 498 2HG2 THR 55 2HG2 THR 55 9.013 0.588 -4.640 499 3HG2 THR 55 3HG2 THR 55 8.464 2.255 -4.294 500 H ILE 56 H ILE 56 6.654 -0.549 -0.908 501 HA ILE 56 HA ILE 56 9.345 -1.281 -0.353 502 HB ILE 56 HB ILE 56 6.843 -1.292 1.329 503 1HG1 ILE 56 1HG1 ILE 56 8.108 0.819 0.533 504 2HG1 ILE 56 2HG1 ILE 56 7.671 0.675 2.211 505 1HG2 ILE 56 1HG2 ILE 56 8.091 -3.102 2.322 506 2HG2 ILE 56 2HG2 ILE 56 9.587 -2.175 2.301 507 3HG2 ILE 56 3HG2 ILE 56 8.230 -1.683 3.353 508 1HD1 ILE 56 1HD1 ILE 56 10.025 1.523 1.730 509 2HD1 ILE 56 2HD1 ILE 56 9.951 0.161 2.862 510 3HD1 ILE 56 3HD1 ILE 56 10.426 -0.092 1.164 511 H LEU 57 H LEU 57 6.406 -3.319 -0.723 512 HA LEU 57 HA LEU 57 7.774 -5.758 -0.116 513 1HB LEU 57 1HB LEU 57 5.150 -5.221 -0.575 514 2HB LEU 57 2HB LEU 57 5.556 -5.838 -2.152 515 HG LEU 57 HG LEU 57 6.495 -7.391 0.288 516 1HD1 LEU 57 1HD1 LEU 57 4.415 -8.667 0.384 517 2HD1 LEU 57 2HD1 LEU 57 4.151 -6.996 0.836 518 3HD1 LEU 57 3HD1 LEU 57 3.657 -7.568 -0.780 519 1HD2 LEU 57 1HD2 LEU 57 7.242 -8.129 -1.881 520 2HD2 LEU 57 2HD2 LEU 57 6.159 -9.320 -1.179 521 3HD2 LEU 57 3HD2 LEU 57 5.562 -8.255 -2.467 522 H ARG 58 H ARG 58 7.134 -4.115 -3.272 523 HA ARG 58 HA ARG 58 8.484 -5.977 -4.851 524 1HB ARG 58 1HB ARG 58 7.194 -3.606 -5.350 525 2HB ARG 58 2HB ARG 58 8.836 -3.127 -5.686 526 1HG ARG 58 1HG ARG 58 7.382 -5.505 -6.905 527 2HG ARG 58 2HG ARG 58 7.754 -3.996 -7.737 528 1HD ARG 58 1HD ARG 58 10.198 -4.542 -7.449 529 2HD ARG 58 2HD ARG 58 9.746 -6.096 -6.758 530 HE ARG 58 HE ARG 58 9.082 -6.922 -8.757 531 1HH1 ARG 58 2HH2 ARG 58 10.006 -3.494 -9.161 532 2HH1 ARG 58 1HH2 ARG 58 10.499 -3.709 -10.807 533 1HH2 ARG 58 2HH1 ARG 58 9.618 -7.106 -11.044 534 2HH2 ARG 58 1HH1 ARG 58 9.955 -5.671 -11.942 535 H GLU 59 H GLU 59 9.894 -3.014 -3.465 536 HA GLU 59 HA GLU 59 12.620 -3.309 -4.253 537 1HB GLU 59 1HB GLU 59 11.466 -2.266 -1.612 538 2HB GLU 59 2HB GLU 59 13.107 -2.005 -2.185 539 1HG GLU 59 1HG GLU 59 11.375 -1.150 -4.268 540 2HG GLU 59 2HG GLU 59 10.737 -0.494 -2.763 541 H ARG 60 H ARG 60 10.828 -4.780 -1.542 542 HA ARG 60 HA ARG 60 13.161 -6.190 -0.534 543 1HB ARG 60 1HB ARG 60 10.201 -6.498 0.086 544 2HB ARG 60 2HB ARG 60 11.421 -7.583 0.744 545 1HG ARG 60 1HG ARG 60 12.624 -5.705 1.740 546 2HG ARG 60 2HG ARG 60 11.456 -4.555 1.098 547 1HD ARG 60 1HD ARG 60 9.887 -5.000 2.691 548 2HD ARG 60 2HD ARG 60 10.214 -6.727 2.688 549 HE ARG 60 HE ARG 60 11.376 -4.736 4.449 550 1HH1 ARG 60 2HH2 ARG 60 11.601 -8.120 3.418 551 2HH1 ARG 60 1HH2 ARG 60 13.213 -8.343 4.042 552 1HH2 ARG 60 2HH1 ARG 60 13.272 -5.264 5.777 553 2HH2 ARG 60 1HH1 ARG 60 14.004 -6.795 5.579 554 H GLU 61 H GLU 61 10.756 -7.005 -2.867 555 HA GLU 61 HA GLU 61 11.205 -9.797 -3.018 556 1HB GLU 61 1HB GLU 61 10.380 -7.970 -5.309 557 2HB GLU 61 2HB GLU 61 10.400 -9.720 -5.389 558 1HG GLU 61 1HG GLU 61 8.682 -9.872 -3.659 559 2HG GLU 61 2HG GLU 61 8.736 -8.141 -3.440 560 H LEU 62 H LEU 62 12.912 -7.132 -4.907 561 HA LEU 62 HA LEU 62 14.730 -9.092 -5.995 562 1HB LEU 62 1HB LEU 62 15.421 -6.217 -6.011 563 2HB LEU 62 2HB LEU 62 15.522 -7.418 -7.277 564 HG LEU 62 HG LEU 62 14.046 -6.009 -8.161 565 1HD1 LEU 62 1HD1 LEU 62 11.956 -6.870 -8.435 566 2HD1 LEU 62 2HD1 LEU 62 12.944 -8.258 -7.993 567 3HD1 LEU 62 3HD1 LEU 62 11.862 -7.501 -6.790 568 1HD2 LEU 62 1HD2 LEU 62 13.913 -4.321 -6.665 569 2HD2 LEU 62 2HD2 LEU 62 12.236 -4.797 -6.851 570 3HD2 LEU 62 3HD2 LEU 62 13.167 -5.313 -5.418 571 H GLY 63 H GLY 63 14.676 -7.229 -3.098 572 1HA GLY 63 1HA GLY 63 16.231 -7.634 -1.407 573 2HA GLY 63 2HA GLY 63 17.547 -7.793 -2.564 574 H ILE 64 H ILE 64 15.588 -4.996 -3.252 575 HA ILE 64 HA ILE 64 17.719 -3.201 -2.879 576 HB ILE 64 HB ILE 64 14.748 -2.881 -3.386 577 1HG1 ILE 64 1HG1 ILE 64 15.777 -4.226 -5.136 578 2HG1 ILE 64 2HG1 ILE 64 15.232 -2.667 -5.718 579 1HG2 ILE 64 1HG2 ILE 64 15.291 -0.721 -4.463 580 2HG2 ILE 64 2HG2 ILE 64 15.475 -0.743 -2.713 581 3HG2 ILE 64 3HG2 ILE 64 16.919 -0.841 -3.755 582 1HD1 ILE 64 1HD1 ILE 64 17.349 -3.246 -6.710 583 2HD1 ILE 64 2HD1 ILE 64 17.541 -1.815 -5.700 584 3HD1 ILE 64 3HD1 ILE 64 18.109 -3.405 -5.114 585 H ARG 65 H ARG 65 15.503 -4.439 -0.544 586 HA ARG 65 HA ARG 65 15.690 -1.974 1.044 587 1HB ARG 65 1HB ARG 65 13.264 -3.072 -0.171 588 2HB ARG 65 2HB ARG 65 13.068 -3.012 1.556 589 1HG ARG 65 1HG ARG 65 13.955 -0.630 -0.111 590 2HG ARG 65 2HG ARG 65 12.302 -0.971 0.375 591 1HD ARG 65 1HD ARG 65 12.804 0.415 2.099 592 2HD ARG 65 2HD ARG 65 13.428 -1.066 2.837 593 HE ARG 65 HE ARG 65 14.989 1.041 1.389 594 1HH1 ARG 65 2HH2 ARG 65 15.184 -1.705 3.701 595 2HH1 ARG 65 1HH2 ARG 65 16.853 -1.561 3.886 596 1HH2 ARG 65 2HH1 ARG 65 17.124 1.220 1.674 597 2HH2 ARG 65 1HH1 ARG 65 18.018 0.216 2.781 598 H ARG 66 H ARG 66 17.037 -4.474 1.100 599 HA ARG 66 HA ARG 66 16.524 -6.001 3.319 600 1HB ARG 66 1HB ARG 66 18.178 -6.371 1.551 601 2HB ARG 66 2HB ARG 66 19.083 -4.927 2.047 602 1HG ARG 66 1HG ARG 66 19.819 -6.017 4.078 603 2HG ARG 66 2HG ARG 66 18.615 -7.299 3.904 604 1HD ARG 66 1HD ARG 66 19.777 -7.920 1.711 605 2HD ARG 66 2HD ARG 66 21.068 -6.818 2.168 606 HE ARG 66 HE ARG 66 21.366 -8.188 4.225 607 1HH1 ARG 66 2HH2 ARG 66 19.960 -9.719 1.289 608 2HH1 ARG 66 1HH2 ARG 66 20.259 -11.321 1.865 609 1HH2 ARG 66 2HH1 ARG 66 21.656 -10.475 4.946 610 2HH2 ARG 66 1HH1 ARG 66 21.111 -11.705 3.863 Start of MODEL 10 1 1H MET 1 1H MET 1 16.042 9.055 2.490 2 HA MET 1 HA MET 1 15.335 7.796 4.458 3 1HB MET 1 1HB MET 1 13.884 10.351 5.234 4 2HB MET 1 2HB MET 1 13.918 8.815 6.115 5 1HG MET 1 1HG MET 1 16.400 9.161 6.458 6 2HG MET 1 2HG MET 1 16.225 10.740 5.688 7 1HE MET 1 1HE MET 1 17.664 10.971 8.203 8 2HE MET 1 2HE MET 1 16.965 12.393 7.390 9 3HE MET 1 3HE MET 1 16.741 12.172 9.137 10 H LYS 2 H LYS 2 13.863 6.448 3.565 11 HA LYS 2 HA LYS 2 11.576 7.652 2.031 12 1HB LYS 2 1HB LYS 2 13.260 5.269 1.164 13 2HB LYS 2 2HB LYS 2 11.863 5.943 0.315 14 1HG LYS 2 1HG LYS 2 13.082 8.103 0.034 15 2HG LYS 2 2HG LYS 2 14.488 7.393 0.839 16 1HD LYS 2 1HD LYS 2 14.557 5.643 -0.983 17 2HD LYS 2 2HD LYS 2 13.296 6.574 -1.825 18 1HE LYS 2 1HE LYS 2 14.787 8.591 -1.707 19 2HE LYS 2 2HE LYS 2 16.050 7.609 -0.961 20 1HZ LYS 2 1HZ LYS 2 14.932 7.102 -3.645 21 2HZ LYS 2 2HZ LYS 2 16.301 7.952 -3.346 22 3HZ LYS 2 3HZ LYS 2 16.239 6.348 -2.988 23 H ALA 3 H ALA 3 12.612 5.063 4.185 24 HA ALA 3 HA ALA 3 9.789 4.342 4.504 25 1HB ALA 3 1HB ALA 3 10.327 2.002 4.903 26 2HB ALA 3 2HB ALA 3 10.748 2.492 3.252 27 3HB ALA 3 3HB ALA 3 12.032 2.270 4.439 28 H SER 4 H SER 4 12.596 3.023 6.127 29 HA SER 4 HA SER 4 13.181 2.785 8.195 30 1HB SER 4 1HB SER 4 12.442 5.721 8.532 31 2HB SER 4 2HB SER 4 13.611 4.814 9.499 32 HG SER 4 HG SER 4 14.419 6.185 7.793 33 H GLU 5 H GLU 5 9.914 3.821 7.920 34 HA GLU 5 HA GLU 5 9.313 2.312 10.432 35 1HB GLU 5 1HB GLU 5 7.037 3.269 10.191 36 2HB GLU 5 2HB GLU 5 8.321 4.436 10.453 37 1HG GLU 5 1HG GLU 5 8.310 4.891 7.941 38 2HG GLU 5 2HG GLU 5 6.871 3.918 7.834 39 H LEU 6 H LEU 6 8.368 2.575 7.033 40 HA LEU 6 HA LEU 6 6.890 0.128 7.007 41 1HB LEU 6 1HB LEU 6 8.014 2.132 4.973 42 2HB LEU 6 2HB LEU 6 7.266 0.700 4.406 43 HG LEU 6 HG LEU 6 5.972 2.806 6.208 44 1HD1 LEU 6 1HD1 LEU 6 4.734 3.518 4.195 45 2HD1 LEU 6 2HD1 LEU 6 6.479 3.756 4.071 46 3HD1 LEU 6 3HD1 LEU 6 5.719 2.391 3.219 47 1HD2 LEU 6 1HD2 LEU 6 4.849 0.511 6.383 48 2HD2 LEU 6 2HD2 LEU 6 3.836 1.866 5.914 49 3HD2 LEU 6 3HD2 LEU 6 4.355 0.715 4.701 50 H ARG 7 H ARG 7 10.298 0.421 6.792 51 HA ARG 7 HA ARG 7 10.481 -2.338 5.748 52 1HB ARG 7 1HB ARG 7 12.824 -1.938 5.847 53 2HB ARG 7 2HB ARG 7 12.076 -0.633 4.953 54 1HG ARG 7 1HG ARG 7 13.554 0.568 6.213 55 2HG ARG 7 2HG ARG 7 12.188 0.606 7.302 56 1HD ARG 7 1HD ARG 7 13.616 -0.162 8.893 57 2HD ARG 7 2HD ARG 7 13.497 -1.739 8.116 58 HE ARG 7 HE ARG 7 15.483 -0.213 6.789 59 1HH1 ARG 7 2HH2 ARG 7 15.005 -2.479 9.503 60 2HH1 ARG 7 1HH2 ARG 7 16.655 -2.514 9.940 61 1HH2 ARG 7 2HH1 ARG 7 17.676 -0.207 7.410 62 2HH2 ARG 7 1HH1 ARG 7 18.235 -1.197 8.722 63 H ASN 8 H ASN 8 9.784 -0.777 8.576 64 HA ASN 8 HA ASN 8 11.862 -2.016 10.273 65 1HB ASN 8 1HB ASN 8 11.112 0.479 10.150 66 2HB ASN 8 2HB ASN 8 9.795 -0.026 11.222 67 1HD2 ASN 8 1HD2 ASN 8 11.812 1.925 11.895 68 2HD2 ASN 8 2HD2 ASN 8 12.549 1.266 13.351 69 H TYR 9 H TYR 9 8.322 -2.435 9.793 70 HA TYR 9 HA TYR 9 7.797 -3.830 12.166 71 1HB TYR 9 1HB TYR 9 6.625 -3.519 9.404 72 2HB TYR 9 2HB TYR 9 6.016 -4.745 10.496 73 HD1 TYR 9 HD1 TYR 9 6.177 -1.290 9.536 74 HD2 TYR 9 HD2 TYR 9 5.057 -3.934 12.760 75 HE1 TYR 9 HE1 TYR 9 4.569 0.427 10.438 76 HE2 TYR 9 HE2 TYR 9 3.514 -2.209 13.644 77 HH TYR 9 HH TYR 9 2.734 -0.042 13.416 78 H THR 10 H THR 10 7.293 -6.319 12.025 79 HA THR 10 HA THR 10 9.760 -7.616 11.194 80 HB THR 10 HB THR 10 8.545 -9.643 11.810 81 HG1 THR 10 HG1 THR 10 6.541 -8.032 12.987 82 1HG2 THR 10 1HG2 THR 10 9.880 -8.588 13.571 83 2HG2 THR 10 2HG2 THR 10 8.589 -7.436 13.922 84 3HG2 THR 10 3HG2 THR 10 8.356 -9.146 14.305 85 H ASP 11 H ASP 11 9.649 -9.599 9.696 86 HA ASP 11 HA ASP 11 8.821 -8.819 7.139 87 1HB ASP 11 1HB ASP 11 9.369 -11.572 8.250 88 2HB ASP 11 2HB ASP 11 8.973 -11.286 6.563 89 H GLU 12 H GLU 12 7.000 -10.698 9.484 90 HA GLU 12 HA GLU 12 4.639 -11.173 7.915 91 1HB GLU 12 1HB GLU 12 5.132 -12.346 10.074 92 2HB GLU 12 2HB GLU 12 4.938 -10.816 10.931 93 1HG GLU 12 1HG GLU 12 2.542 -10.840 9.623 94 2HG GLU 12 2HG GLU 12 2.877 -12.553 9.600 95 H GLU 13 H GLU 13 5.296 -8.676 10.442 96 HA GLU 13 HA GLU 13 2.801 -7.329 10.026 97 1HB GLU 13 1HB GLU 13 5.381 -6.689 11.488 98 2HB GLU 13 2HB GLU 13 4.102 -5.504 11.405 99 1HG GLU 13 1HG GLU 13 2.768 -7.934 12.094 100 2HG GLU 13 2HG GLU 13 4.280 -8.057 12.948 101 H LEU 14 H LEU 14 5.748 -7.145 8.298 102 HA LEU 14 HA LEU 14 5.132 -4.619 6.991 103 1HB LEU 14 1HB LEU 14 6.940 -6.953 6.218 104 2HB LEU 14 2HB LEU 14 6.879 -5.399 5.374 105 HG LEU 14 HG LEU 14 7.468 -5.500 8.347 106 1HD1 LEU 14 1HD1 LEU 14 9.411 -6.226 6.172 107 2HD1 LEU 14 2HD1 LEU 14 9.951 -5.312 7.614 108 3HD1 LEU 14 3HD1 LEU 14 9.215 -6.859 7.832 109 1HD2 LEU 14 1HD2 LEU 14 8.686 -3.525 6.539 110 2HD2 LEU 14 2HD2 LEU 14 7.026 -3.315 7.178 111 3HD2 LEU 14 3HD2 LEU 14 8.417 -3.524 8.260 112 H LYS 15 H LYS 15 4.890 -8.026 5.733 113 HA LYS 15 HA LYS 15 3.395 -7.141 3.516 114 1HB LYS 15 1HB LYS 15 2.747 -9.451 3.203 115 2HB LYS 15 2HB LYS 15 4.485 -9.187 3.381 116 1HG LYS 15 1HG LYS 15 4.268 -11.142 4.544 117 2HG LYS 15 2HG LYS 15 4.152 -9.979 5.831 118 1HD LYS 15 1HD LYS 15 2.256 -11.089 6.462 119 2HD LYS 15 2HD LYS 15 1.466 -10.327 5.085 120 1HE LYS 15 1HE LYS 15 0.963 -12.564 4.773 121 2HE LYS 15 2HE LYS 15 2.316 -12.298 3.668 122 1HZ LYS 15 1HZ LYS 15 2.388 -13.620 6.320 123 2HZ LYS 15 2HZ LYS 15 2.641 -14.309 4.849 124 3HZ LYS 15 3HZ LYS 15 3.758 -13.280 5.447 125 H ASN 16 H ASN 16 2.335 -8.269 6.731 126 HA ASN 16 HA ASN 16 -0.429 -8.327 6.046 127 1HB ASN 16 1HB ASN 16 0.942 -9.340 8.068 128 2HB ASN 16 2HB ASN 16 0.751 -7.747 8.812 129 1HD2 ASN 16 1HD2 ASN 16 -0.990 -7.838 10.331 130 2HD2 ASN 16 2HD2 ASN 16 -2.318 -8.955 10.145 131 H LEU 17 H LEU 17 1.553 -5.646 6.293 132 HA LEU 17 HA LEU 17 -0.786 -3.823 6.943 133 1HB LEU 17 1HB LEU 17 2.137 -3.559 7.430 134 2HB LEU 17 2HB LEU 17 1.401 -2.181 6.680 135 HG LEU 17 HG LEU 17 -0.409 -2.444 8.629 136 1HD1 LEU 17 1HD1 LEU 17 2.087 -3.411 10.079 137 2HD1 LEU 17 2HD1 LEU 17 0.449 -3.220 10.715 138 3HD1 LEU 17 3HD1 LEU 17 0.805 -4.518 9.560 139 1HD2 LEU 17 1HD2 LEU 17 0.915 -0.431 8.272 140 2HD2 LEU 17 2HD2 LEU 17 0.907 -0.848 9.989 141 3HD2 LEU 17 3HD2 LEU 17 2.343 -1.190 9.007 142 H LEU 18 H LEU 18 1.973 -4.409 4.775 143 HA LEU 18 HA LEU 18 1.211 -2.344 2.962 144 1HB LEU 18 1HB LEU 18 2.808 -4.754 2.028 145 2HB LEU 18 2HB LEU 18 2.944 -3.082 1.552 146 HG LEU 18 HG LEU 18 4.230 -4.579 3.752 147 1HD1 LEU 18 1HD1 LEU 18 6.162 -3.201 3.183 148 2HD1 LEU 18 2HD1 LEU 18 5.525 -4.234 1.923 149 3HD1 LEU 18 3HD1 LEU 18 5.179 -2.513 1.852 150 1HD2 LEU 18 1HD2 LEU 18 3.584 -1.620 4.157 151 2HD2 LEU 18 2HD2 LEU 18 3.301 -2.941 5.260 152 3HD2 LEU 18 3HD2 LEU 18 4.936 -2.462 4.970 153 H GLU 19 H GLU 19 0.462 -5.785 3.141 154 HA GLU 19 HA GLU 19 -1.060 -5.944 0.745 155 1HB GLU 19 1HB GLU 19 -1.908 -7.922 1.558 156 2HB GLU 19 2HB GLU 19 -0.317 -7.773 2.330 157 1HG GLU 19 1HG GLU 19 -1.389 -7.059 4.421 158 2HG GLU 19 2HG GLU 19 -2.978 -7.231 3.673 159 H GLU 20 H GLU 20 -1.921 -4.611 3.952 160 HA GLU 20 HA GLU 20 -4.701 -4.409 3.500 161 1HB GLU 20 1HB GLU 20 -3.550 -4.149 5.729 162 2HB GLU 20 2HB GLU 20 -3.092 -2.520 5.231 163 1HG GLU 20 1HG GLU 20 -5.076 -2.363 6.554 164 2HG GLU 20 2HG GLU 20 -5.464 -1.911 4.898 165 H LYS 21 H LYS 21 -2.043 -1.998 2.968 166 HA LYS 21 HA LYS 21 -3.672 -0.039 1.773 167 1HB LYS 21 1HB LYS 21 -0.712 -0.718 1.512 168 2HB LYS 21 2HB LYS 21 -1.389 0.789 0.966 169 1HG LYS 21 1HG LYS 21 -1.326 -0.227 3.821 170 2HG LYS 21 2HG LYS 21 -0.322 1.031 3.164 171 1HD LYS 21 1HD LYS 21 -3.337 1.290 3.488 172 2HD LYS 21 2HD LYS 21 -2.140 1.761 4.678 173 1HE LYS 21 1HE LYS 21 -1.120 3.308 2.894 174 2HE LYS 21 2HE LYS 21 -2.594 3.028 1.947 175 1HZ LYS 21 1HZ LYS 21 -2.365 4.206 4.651 176 2HZ LYS 21 2HZ LYS 21 -2.894 4.987 3.322 177 3HZ LYS 21 3HZ LYS 21 -3.816 3.808 3.987 178 H LYS 22 H LYS 22 -1.572 -2.582 0.100 179 HA LYS 22 HA LYS 22 -2.550 -2.124 -2.426 180 1HB LYS 22 1HB LYS 22 -0.710 -3.693 -1.755 181 2HB LYS 22 2HB LYS 22 -1.914 -4.851 -1.190 182 1HG LYS 22 1HG LYS 22 -2.787 -5.087 -3.513 183 2HG LYS 22 2HG LYS 22 -1.692 -3.811 -4.037 184 1HD LYS 22 1HD LYS 22 -0.445 -5.546 -4.714 185 2HD LYS 22 2HD LYS 22 0.192 -5.470 -3.081 186 1HE LYS 22 1HE LYS 22 -2.013 -7.348 -4.082 187 2HE LYS 22 2HE LYS 22 -0.308 -7.775 -3.907 188 1HZ LYS 22 1HZ LYS 22 -0.515 -7.463 -1.520 189 2HZ LYS 22 2HZ LYS 22 -2.129 -7.064 -1.689 190 3HZ LYS 22 3HZ LYS 22 -1.620 -8.536 -2.028 191 H ARG 23 H ARG 23 -4.354 -4.062 0.038 192 HA ARG 23 HA ARG 23 -6.390 -4.745 -1.930 193 1HB ARG 23 1HB ARG 23 -7.722 -5.578 -0.171 194 2HB ARG 23 2HB ARG 23 -6.080 -6.139 0.086 195 1HG ARG 23 1HG ARG 23 -5.830 -4.519 1.840 196 2HG ARG 23 2HG ARG 23 -7.491 -3.931 1.662 197 1HD ARG 23 1HD ARG 23 -6.572 -6.722 2.445 198 2HD ARG 23 2HD ARG 23 -7.182 -5.482 3.546 199 HE ARG 23 HE ARG 23 -9.265 -5.713 1.795 200 1HH1 ARG 23 2HH2 ARG 23 -7.378 -8.140 3.681 201 2HH1 ARG 23 1HH2 ARG 23 -8.757 -9.152 3.939 202 1HH2 ARG 23 2HH1 ARG 23 -11.081 -7.105 2.221 203 2HH2 ARG 23 1HH1 ARG 23 -10.859 -8.628 3.002 204 H GLN 24 H GLN 24 -6.217 -2.280 0.693 205 HA GLN 24 HA GLN 24 -8.641 -1.173 0.624 206 1HB GLN 24 1HB GLN 24 -5.902 -0.078 1.055 207 2HB GLN 24 2HB GLN 24 -7.226 1.044 0.922 208 1HG GLN 24 1HG GLN 24 -7.973 -1.192 2.656 209 2HG GLN 24 2HG GLN 24 -6.513 -0.460 3.199 210 1HE2 GLN 24 1HE2 GLN 24 -9.836 -0.313 3.422 211 2HE2 GLN 24 2HE2 GLN 24 -10.027 1.334 4.007 212 H LEU 25 H LEU 25 -5.952 -0.254 -1.594 213 HA LEU 25 HA LEU 25 -7.403 1.717 -3.038 214 1HB LEU 25 1HB LEU 25 -5.001 1.448 -3.327 215 2HB LEU 25 2HB LEU 25 -5.203 -0.225 -3.845 216 HG LEU 25 HG LEU 25 -6.520 0.777 -5.896 217 1HD1 LEU 25 1HD1 LEU 25 -6.763 3.034 -4.796 218 2HD1 LEU 25 2HD1 LEU 25 -5.034 3.275 -4.989 219 3HD1 LEU 25 3HD1 LEU 25 -6.091 3.093 -6.419 220 1HD2 LEU 25 1HD2 LEU 25 -4.280 -0.204 -6.056 221 2HD2 LEU 25 2HD2 LEU 25 -4.542 1.148 -7.154 222 3HD2 LEU 25 3HD2 LEU 25 -3.570 1.388 -5.677 223 H MET 26 H MET 26 -7.135 -1.790 -3.707 224 HA MET 26 HA MET 26 -8.700 -1.674 -6.125 225 1HB MET 26 1HB MET 26 -7.966 -4.043 -4.365 226 2HB MET 26 2HB MET 26 -8.620 -4.115 -6.015 227 1HG MET 26 1HG MET 26 -6.634 -2.629 -6.701 228 2HG MET 26 2HG MET 26 -5.944 -2.989 -5.124 229 1HE MET 26 1HE MET 26 -5.461 -6.928 -5.396 230 2HE MET 26 2HE MET 26 -5.435 -5.525 -4.300 231 3HE MET 26 3HE MET 26 -6.981 -6.171 -4.899 232 H GLU 27 H GLU 27 -9.481 -1.914 -2.764 233 HA GLU 27 HA GLU 27 -12.129 -3.038 -3.078 234 1HB GLU 27 1HB GLU 27 -10.114 -2.481 -0.995 235 2HB GLU 27 2HB GLU 27 -11.731 -1.989 -0.493 236 1HG GLU 27 1HG GLU 27 -12.594 -3.899 -0.597 237 2HG GLU 27 2HG GLU 27 -11.584 -4.623 -1.866 238 H LEU 28 H LEU 28 -10.795 -0.048 -1.964 239 HA LEU 28 HA LEU 28 -13.048 1.690 -1.813 240 1HB LEU 28 1HB LEU 28 -10.139 2.062 -2.455 241 2HB LEU 28 2HB LEU 28 -11.273 3.359 -2.652 242 HG LEU 28 HG LEU 28 -11.679 3.690 -0.440 243 1HD1 LEU 28 1HD1 LEU 28 -12.340 1.554 0.378 244 2HD1 LEU 28 2HD1 LEU 28 -10.701 0.883 0.228 245 3HD1 LEU 28 3HD1 LEU 28 -11.052 2.145 1.417 246 1HD2 LEU 28 1HD2 LEU 28 -8.865 2.548 -0.373 247 2HD2 LEU 28 2HD2 LEU 28 -9.262 4.098 -1.130 248 3HD2 LEU 28 3HD2 LEU 28 -9.510 3.868 0.618 249 H ARG 29 H ARG 29 -10.933 1.180 -4.636 250 HA ARG 29 HA ARG 29 -12.743 2.534 -6.404 251 1HB ARG 29 1HB ARG 29 -11.548 1.766 -8.263 252 2HB ARG 29 2HB ARG 29 -10.355 2.019 -6.980 253 1HG ARG 29 1HG ARG 29 -10.291 -0.359 -6.545 254 2HG ARG 29 2HG ARG 29 -11.570 -0.688 -7.702 255 1HD ARG 29 1HD ARG 29 -10.062 0.362 -9.485 256 2HD ARG 29 2HD ARG 29 -8.759 0.252 -8.293 257 HE ARG 29 HE ARG 29 -8.529 -1.949 -8.885 258 1HH1 ARG 29 2HH2 ARG 29 -11.913 -1.121 -9.657 259 2HH1 ARG 29 1HH2 ARG 29 -12.239 -2.648 -10.394 260 1HH2 ARG 29 2HH1 ARG 29 -8.907 -3.812 -9.906 261 2HH2 ARG 29 1HH1 ARG 29 -10.449 -4.287 -10.538 262 H PHE 30 H PHE 30 -12.949 -0.664 -5.050 263 HA PHE 30 HA PHE 30 -14.754 -1.730 -7.056 264 1HB PHE 30 1HB PHE 30 -13.499 -3.346 -5.992 265 2HB PHE 30 2HB PHE 30 -13.630 -2.635 -4.403 266 HD1 PHE 30 HD1 PHE 30 -15.092 -3.533 -2.854 267 HD2 PHE 30 HD2 PHE 30 -15.677 -4.355 -7.033 268 HE1 PHE 30 HE1 PHE 30 -16.936 -5.106 -2.290 269 HE2 PHE 30 HE2 PHE 30 -17.565 -5.889 -6.462 270 HZ PHE 30 HZ PHE 30 -18.211 -6.212 -4.083 271 H GLN 31 H GLN 31 -15.099 0.448 -4.129 272 HA GLN 31 HA GLN 31 -17.952 -0.146 -3.999 273 1HB GLN 31 1HB GLN 31 -15.925 1.541 -2.472 274 2HB GLN 31 2HB GLN 31 -17.619 1.967 -2.439 275 1HG GLN 31 1HG GLN 31 -17.872 -0.674 -1.926 276 2HG GLN 31 2HG GLN 31 -16.243 -0.413 -1.300 277 1HE2 GLN 31 1HE2 GLN 31 -19.300 -0.752 -0.073 278 2HE2 GLN 31 2HE2 GLN 31 -19.242 0.515 1.118 279 H LEU 32 H LEU 32 -15.577 2.107 -5.263 280 HA LEU 32 HA LEU 32 -17.279 4.234 -5.922 281 1HB LEU 32 1HB LEU 32 -14.835 4.319 -6.085 282 2HB LEU 32 2HB LEU 32 -14.831 3.210 -7.442 283 HG LEU 32 HG LEU 32 -14.463 5.536 -7.967 284 1HD1 LEU 32 1HD1 LEU 32 -15.321 3.971 -9.709 285 2HD1 LEU 32 2HD1 LEU 32 -16.937 4.686 -9.470 286 3HD1 LEU 32 3HD1 LEU 32 -15.599 5.688 -10.005 287 1HD2 LEU 32 1HD2 LEU 32 -17.431 5.941 -7.361 288 2HD2 LEU 32 2HD2 LEU 32 -16.114 6.501 -6.314 289 3HD2 LEU 32 3HD2 LEU 32 -16.304 7.190 -7.942 290 H ALA 33 H ALA 33 -16.213 1.662 -8.012 291 HA ALA 33 HA ALA 33 -17.960 2.044 -10.199 292 1HB ALA 33 1HB ALA 33 -16.605 -0.455 -9.108 293 2HB ALA 33 2HB ALA 33 -17.347 -0.334 -10.718 294 3HB ALA 33 3HB ALA 33 -15.933 0.675 -10.300 295 H MET 34 H MET 34 -18.574 0.389 -7.070 296 HA MET 34 HA MET 34 -21.070 -0.710 -8.020 297 1HB MET 34 1HB MET 34 -19.466 -0.729 -5.469 298 2HB MET 34 2HB MET 34 -21.155 -1.144 -5.395 299 1HG MET 34 1HG MET 34 -19.683 -2.477 -7.602 300 2HG MET 34 2HG MET 34 -19.136 -2.911 -5.989 301 1HE MET 34 1HE MET 34 -19.859 -5.526 -6.476 302 2HE MET 34 2HE MET 34 -21.441 -5.943 -7.166 303 3HE MET 34 3HE MET 34 -20.293 -4.974 -8.113 304 H GLY 35 H GLY 35 -20.032 2.355 -6.840 305 1HA GLY 35 1HA GLY 35 -21.110 4.280 -6.798 306 2HA GLY 35 2HA GLY 35 -22.702 3.469 -6.990 307 H GLN 36 H GLN 36 -20.035 2.994 -4.693 308 HA GLN 36 HA GLN 36 -21.828 3.581 -2.396 309 1HB GLN 36 1HB GLN 36 -19.677 1.458 -2.560 310 2HB GLN 36 2HB GLN 36 -20.792 1.709 -1.216 311 1HG GLN 36 1HG GLN 36 -21.589 1.017 -4.050 312 2HG GLN 36 2HG GLN 36 -21.248 -0.191 -2.820 313 1HE2 GLN 36 1HE2 GLN 36 -23.797 2.023 -3.963 314 2HE2 GLN 36 2HE2 GLN 36 -24.933 1.534 -2.727 315 H LEU 37 H LEU 37 -18.913 3.877 -3.902 316 HA LEU 37 HA LEU 37 -17.794 5.731 -1.800 317 1HB LEU 37 1HB LEU 37 -16.193 4.081 -1.967 318 2HB LEU 37 2HB LEU 37 -16.357 3.949 -3.706 319 HG LEU 37 HG LEU 37 -15.287 6.035 -4.078 320 1HD1 LEU 37 1HD1 LEU 37 -14.362 7.418 -2.333 321 2HD1 LEU 37 2HD1 LEU 37 -15.968 7.075 -1.739 322 3HD1 LEU 37 3HD1 LEU 37 -14.615 6.158 -1.100 323 1HD2 LEU 37 1HD2 LEU 37 -13.798 4.261 -4.115 324 2HD2 LEU 37 2HD2 LEU 37 -12.989 5.489 -3.147 325 3HD2 LEU 37 3HD2 LEU 37 -13.771 4.102 -2.344 326 H LYS 38 H LYS 38 -17.786 7.849 -2.238 327 HA LYS 38 HA LYS 38 -18.113 8.799 -5.030 328 1HB LYS 38 1HB LYS 38 -20.008 10.170 -4.412 329 2HB LYS 38 2HB LYS 38 -20.328 8.462 -4.153 330 1HG LYS 38 1HG LYS 38 -19.729 8.985 -1.637 331 2HG LYS 38 2HG LYS 38 -19.955 10.662 -2.108 332 1HD LYS 38 1HD LYS 38 -22.249 9.871 -3.087 333 2HD LYS 38 2HD LYS 38 -21.947 8.385 -2.177 334 1HE LYS 38 1HE LYS 38 -23.226 9.648 -0.668 335 2HE LYS 38 2HE LYS 38 -21.565 9.941 -0.132 336 1HZ LYS 38 1HZ LYS 38 -22.658 12.024 -0.231 337 2HZ LYS 38 2HZ LYS 38 -21.711 11.997 -1.581 338 3HZ LYS 38 3HZ LYS 38 -23.302 11.734 -1.717 339 H ASN 39 H ASN 39 -15.711 9.006 -4.142 340 HA ASN 39 HA ASN 39 -15.403 11.888 -3.605 341 1HB ASN 39 1HB ASN 39 -15.131 10.890 -1.378 342 2HB ASN 39 2HB ASN 39 -13.860 9.830 -1.981 343 1HD2 ASN 39 1HD2 ASN 39 -13.520 11.824 0.187 344 2HD2 ASN 39 2HD2 ASN 39 -12.503 13.105 -0.461 345 H THR 40 H THR 40 -13.178 9.083 -3.833 346 HA THR 40 HA THR 40 -11.689 8.405 -5.176 347 HB THR 40 HB THR 40 -12.560 10.225 -7.376 348 HG1 THR 40 HG1 THR 40 -14.034 8.511 -7.910 349 1HG2 THR 40 1HG2 THR 40 -11.469 7.370 -7.425 350 2HG2 THR 40 2HG2 THR 40 -11.863 8.375 -8.839 351 3HG2 THR 40 3HG2 THR 40 -10.525 8.828 -7.803 352 H SER 41 H SER 41 -11.807 11.865 -4.590 353 HA SER 41 HA SER 41 -9.054 12.424 -5.251 354 1HB SER 41 1HB SER 41 -10.157 13.793 -2.868 355 2HB SER 41 2HB SER 41 -9.441 14.471 -4.329 356 HG SER 41 HG SER 41 -12.093 13.588 -3.863 357 H LEU 42 H LEU 42 -10.687 10.900 -2.413 358 HA LEU 42 HA LEU 42 -8.249 10.604 -0.918 359 1HB LEU 42 1HB LEU 42 -10.809 10.440 -0.245 360 2HB LEU 42 2HB LEU 42 -10.631 8.771 -0.720 361 HG LEU 42 HG LEU 42 -10.448 9.011 1.582 362 1HD1 LEU 42 1HD1 LEU 42 -8.965 7.265 0.573 363 2HD1 LEU 42 2HD1 LEU 42 -7.611 8.409 0.666 364 3HD1 LEU 42 3HD1 LEU 42 -8.406 7.842 2.140 365 1HD2 LEU 42 1HD2 LEU 42 -9.712 11.307 1.810 366 2HD2 LEU 42 2HD2 LEU 42 -8.692 10.233 2.761 367 3HD2 LEU 42 3HD2 LEU 42 -8.073 10.884 1.237 368 H ILE 43 H ILE 43 -9.964 8.486 -3.389 369 HA ILE 43 HA ILE 43 -8.169 6.357 -3.229 370 HB ILE 43 HB ILE 43 -9.971 7.344 -5.345 371 1HG1 ILE 43 1HG1 ILE 43 -10.557 5.490 -3.689 372 2HG1 ILE 43 2HG1 ILE 43 -10.858 5.174 -5.388 373 1HG2 ILE 43 1HG2 ILE 43 -9.104 5.764 -7.089 374 2HG2 ILE 43 2HG2 ILE 43 -8.130 7.210 -6.828 375 3HG2 ILE 43 3HG2 ILE 43 -7.583 5.668 -6.156 376 1HD1 ILE 43 1HD1 ILE 43 -8.755 3.830 -5.522 377 2HD1 ILE 43 2HD1 ILE 43 -8.519 4.104 -3.768 378 3HD1 ILE 43 3HD1 ILE 43 -9.910 3.200 -4.396 379 H LYS 44 H LYS 44 -7.615 9.445 -5.193 380 HA LYS 44 HA LYS 44 -5.226 8.735 -6.309 381 1HB LYS 44 1HB LYS 44 -5.875 10.768 -7.038 382 2HB LYS 44 2HB LYS 44 -6.725 11.170 -5.558 383 1HG LYS 44 1HG LYS 44 -5.029 12.811 -5.983 384 2HG LYS 44 2HG LYS 44 -4.617 11.925 -4.520 385 1HD LYS 44 1HD LYS 44 -3.440 10.460 -6.605 386 2HD LYS 44 2HD LYS 44 -3.260 12.122 -7.139 387 1HE LYS 44 1HE LYS 44 -2.565 12.033 -4.322 388 2HE LYS 44 2HE LYS 44 -1.809 10.630 -5.113 389 1HZ LYS 44 1HZ LYS 44 -0.341 12.563 -5.200 390 2HZ LYS 44 2HZ LYS 44 -0.803 12.169 -6.729 391 3HZ LYS 44 3HZ LYS 44 -1.476 13.457 -5.919 392 H LEU 45 H LEU 45 -5.809 9.813 -2.924 393 HA LEU 45 HA LEU 45 -3.095 10.150 -2.293 394 1HB LEU 45 1HB LEU 45 -5.056 11.601 -1.796 395 2HB LEU 45 2HB LEU 45 -5.824 10.320 -0.885 396 HG LEU 45 HG LEU 45 -4.667 12.252 0.248 397 1HD1 LEU 45 1HD1 LEU 45 -5.556 10.241 1.399 398 2HD1 LEU 45 2HD1 LEU 45 -3.994 9.418 1.177 399 3HD1 LEU 45 3HD1 LEU 45 -4.095 10.879 2.184 400 1HD2 LEU 45 1HD2 LEU 45 -2.299 12.083 0.671 401 2HD2 LEU 45 2HD2 LEU 45 -2.238 10.528 -0.189 402 3HD2 LEU 45 3HD2 LEU 45 -2.610 12.018 -1.092 403 H THR 46 H THR 46 -5.688 7.666 -1.882 404 HA THR 46 HA THR 46 -4.133 5.965 -0.154 405 HB THR 46 HB THR 46 -6.318 5.316 -2.215 406 HG1 THR 46 HG1 THR 46 -6.647 5.993 0.517 407 1HG2 THR 46 1HG2 THR 46 -5.209 3.869 0.171 408 2HG2 THR 46 2HG2 THR 46 -6.925 3.725 -0.201 409 3HG2 THR 46 3HG2 THR 46 -5.745 3.242 -1.426 410 H LYS 47 H LYS 47 -4.648 6.142 -3.719 411 HA LYS 47 HA LYS 47 -2.946 4.103 -4.534 412 1HB LYS 47 1HB LYS 47 -4.596 5.403 -5.969 413 2HB LYS 47 2HB LYS 47 -3.569 6.809 -5.864 414 1HG LYS 47 1HG LYS 47 -3.233 5.865 -7.987 415 2HG LYS 47 2HG LYS 47 -1.748 5.577 -7.077 416 1HD LYS 47 1HD LYS 47 -2.500 3.244 -6.610 417 2HD LYS 47 2HD LYS 47 -4.069 3.630 -7.361 418 1HE LYS 47 1HE LYS 47 -2.732 4.196 -9.483 419 2HE LYS 47 2HE LYS 47 -1.364 3.351 -8.737 420 1HZ LYS 47 1HZ LYS 47 -2.837 1.985 -10.198 421 2HZ LYS 47 2HZ LYS 47 -2.738 1.343 -8.688 422 3HZ LYS 47 3HZ LYS 47 -4.060 2.213 -9.190 423 H ARG 48 H ARG 48 -1.989 7.536 -3.953 424 HA ARG 48 HA ARG 48 0.692 7.104 -4.851 425 1HB ARG 48 1HB ARG 48 1.141 9.219 -4.107 426 2HB ARG 48 2HB ARG 48 -0.627 9.245 -4.191 427 1HG ARG 48 1HG ARG 48 -0.687 8.816 -1.728 428 2HG ARG 48 2HG ARG 48 1.058 8.993 -1.671 429 1HD ARG 48 1HD ARG 48 -0.878 11.116 -2.710 430 2HD ARG 48 2HD ARG 48 -0.322 11.042 -1.051 431 HE ARG 48 HE ARG 48 1.171 12.008 -3.303 432 1HH1 ARG 48 2HH2 ARG 48 1.462 10.794 0.046 433 2HH1 ARG 48 1HH2 ARG 48 3.046 11.430 0.285 434 1HH2 ARG 48 2HH1 ARG 48 3.292 12.709 -3.047 435 2HH2 ARG 48 1HH1 ARG 48 4.204 12.420 -1.613 436 H ASP 49 H ASP 49 -0.802 6.614 -1.615 437 HA ASP 49 HA ASP 49 1.672 5.808 -0.369 438 1HB ASP 49 1HB ASP 49 -1.332 5.612 0.280 439 2HB ASP 49 2HB ASP 49 -0.173 4.851 1.311 440 H ILE 50 H ILE 50 -0.989 4.175 -2.048 441 HA ILE 50 HA ILE 50 -0.059 1.529 -1.324 442 HB ILE 50 HB ILE 50 -1.971 2.504 -3.445 443 1HG1 ILE 50 1HG1 ILE 50 -3.208 0.490 -2.402 444 2HG1 ILE 50 2HG1 ILE 50 -1.872 0.383 -1.256 445 1HG2 ILE 50 1HG2 ILE 50 -0.688 0.925 -4.824 446 2HG2 ILE 50 2HG2 ILE 50 -0.733 -0.279 -3.506 447 3HG2 ILE 50 3HG2 ILE 50 -2.210 0.178 -4.352 448 1HD1 ILE 50 1HD1 ILE 50 -3.613 2.796 -1.752 449 2HD1 ILE 50 2HD1 ILE 50 -3.843 1.638 -0.383 450 3HD1 ILE 50 3HD1 ILE 50 -2.400 2.639 -0.432 451 H ALA 51 H ALA 51 0.541 3.543 -4.272 452 HA ALA 51 HA ALA 51 2.312 1.585 -5.303 453 1HB ALA 51 1HB ALA 51 2.737 3.297 -6.987 454 2HB ALA 51 2HB ALA 51 1.015 3.396 -6.512 455 3HB ALA 51 3HB ALA 51 2.170 4.584 -5.883 456 H ARG 52 H ARG 52 2.814 3.662 -2.633 457 HA ARG 52 HA ARG 52 5.736 3.598 -2.787 458 1HB ARG 52 1HB ARG 52 4.442 5.581 -1.964 459 2HB ARG 52 2HB ARG 52 3.912 4.651 -0.578 460 1HG ARG 52 1HG ARG 52 6.865 5.104 -1.160 461 2HG ARG 52 2HG ARG 52 5.850 6.321 -0.391 462 1HD ARG 52 1HD ARG 52 5.201 4.470 1.313 463 2HD ARG 52 2HD ARG 52 6.614 3.609 0.700 464 HE ARG 52 HE ARG 52 8.041 5.259 1.622 465 1HH1 ARG 52 2HH2 ARG 52 4.622 6.157 2.338 466 2HH1 ARG 52 1HH2 ARG 52 5.107 7.412 3.414 467 1HH2 ARG 52 2HH1 ARG 52 8.576 6.865 3.082 468 2HH2 ARG 52 1HH1 ARG 52 7.372 7.816 3.865 469 H ILE 53 H ILE 53 3.192 2.493 -0.540 470 HA ILE 53 HA ILE 53 4.765 0.668 0.941 471 HB ILE 53 HB ILE 53 1.806 1.227 0.521 472 1HG1 ILE 53 1HG1 ILE 53 3.047 1.547 3.199 473 2HG1 ILE 53 2HG1 ILE 53 3.781 2.584 1.995 474 1HG2 ILE 53 1HG2 ILE 53 3.054 -0.865 2.269 475 2HG2 ILE 53 2HG2 ILE 53 1.492 -0.159 2.666 476 3HG2 ILE 53 3HG2 ILE 53 1.704 -1.030 1.135 477 1HD1 ILE 53 1HD1 ILE 53 1.951 3.907 1.784 478 2HD1 ILE 53 2HD1 ILE 53 0.795 2.604 2.118 479 3HD1 ILE 53 3HD1 ILE 53 1.703 3.362 3.445 480 H LYS 54 H LYS 54 2.484 0.004 -1.701 481 HA LYS 54 HA LYS 54 3.029 -2.764 -1.530 482 1HB LYS 54 1HB LYS 54 1.668 -3.021 -3.501 483 2HB LYS 54 2HB LYS 54 0.973 -1.682 -2.637 484 1HG LYS 54 1HG LYS 54 1.061 -0.850 -4.875 485 2HG LYS 54 2HG LYS 54 2.663 -0.327 -4.330 486 1HD LYS 54 1HD LYS 54 3.177 -1.253 -6.334 487 2HD LYS 54 2HD LYS 54 3.523 -2.551 -5.218 488 1HE LYS 54 1HE LYS 54 0.965 -3.228 -5.793 489 2HE LYS 54 2HE LYS 54 1.379 -2.355 -7.280 490 1HZ LYS 54 1HZ LYS 54 2.578 -4.791 -6.178 491 2HZ LYS 54 2HZ LYS 54 2.031 -4.507 -7.698 492 3HZ LYS 54 3HZ LYS 54 3.471 -3.852 -7.189 493 H THR 55 H THR 55 4.727 -0.118 -3.171 494 HA THR 55 HA THR 55 6.419 -1.786 -4.795 495 HB THR 55 HB THR 55 6.590 0.980 -3.654 496 HG1 THR 55 HG1 THR 55 5.741 1.326 -5.437 497 1HG2 THR 55 1HG2 THR 55 8.752 1.376 -4.754 498 2HG2 THR 55 2HG2 THR 55 8.958 0.150 -3.496 499 3HG2 THR 55 3HG2 THR 55 8.866 -0.353 -5.186 500 H ILE 56 H ILE 56 6.736 -0.507 -1.384 501 HA ILE 56 HA ILE 56 9.263 -1.420 -0.868 502 HB ILE 56 HB ILE 56 6.860 -1.207 0.893 503 1HG1 ILE 56 1HG1 ILE 56 8.390 0.761 -0.164 504 2HG1 ILE 56 2HG1 ILE 56 7.486 0.879 1.322 505 1HG2 ILE 56 1HG2 ILE 56 8.115 -2.948 1.959 506 2HG2 ILE 56 2HG2 ILE 56 9.606 -2.009 1.869 507 3HG2 ILE 56 3HG2 ILE 56 8.249 -1.463 2.884 508 1HD1 ILE 56 1HD1 ILE 56 9.494 0.478 2.684 509 2HD1 ILE 56 2HD1 ILE 56 10.401 0.078 1.200 510 3HD1 ILE 56 3HD1 ILE 56 9.820 1.729 1.453 511 H LEU 57 H LEU 57 6.274 -3.365 -0.523 512 HA LEU 57 HA LEU 57 7.455 -5.785 0.337 513 1HB LEU 57 1HB LEU 57 5.046 -5.410 0.211 514 2HB LEU 57 2HB LEU 57 5.115 -5.296 -1.539 515 HG LEU 57 HG LEU 57 5.424 -7.577 -1.831 516 1HD1 LEU 57 1HD1 LEU 57 5.923 -9.185 0.015 517 2HD1 LEU 57 2HD1 LEU 57 7.235 -8.083 -0.381 518 3HD1 LEU 57 3HD1 LEU 57 6.252 -7.794 1.073 519 1HD2 LEU 57 1HD2 LEU 57 3.647 -8.631 -0.439 520 2HD2 LEU 57 2HD2 LEU 57 3.704 -7.264 0.678 521 3HD2 LEU 57 3HD2 LEU 57 3.171 -7.014 -1.012 522 H ARG 58 H ARG 58 6.806 -4.809 -2.915 523 HA ARG 58 HA ARG 58 7.949 -6.967 -4.349 524 1HB ARG 58 1HB ARG 58 6.645 -4.558 -4.947 525 2HB ARG 58 2HB ARG 58 8.223 -4.335 -5.662 526 1HG ARG 58 1HG ARG 58 6.323 -6.629 -6.038 527 2HG ARG 58 2HG ARG 58 6.709 -5.368 -7.229 528 1HD ARG 58 1HD ARG 58 8.902 -6.245 -7.591 529 2HD ARG 58 2HD ARG 58 8.794 -7.358 -6.254 530 HE ARG 58 HE ARG 58 7.543 -8.828 -7.363 531 1HH1 ARG 58 2HH2 ARG 58 7.977 -5.968 -9.484 532 2HH1 ARG 58 1HH2 ARG 58 7.919 -6.906 -10.933 533 1HH2 ARG 58 2HH1 ARG 58 7.299 -9.959 -9.340 534 2HH2 ARG 58 1HH1 ARG 58 7.416 -9.152 -10.873 535 H GLU 59 H GLU 59 9.483 -3.803 -3.362 536 HA GLU 59 HA GLU 59 11.820 -4.016 -4.784 537 1HB GLU 59 1HB GLU 59 11.471 -1.880 -4.223 538 2HB GLU 59 2HB GLU 59 10.289 -2.416 -2.962 539 1HG GLU 59 1HG GLU 59 11.328 -2.445 -1.332 540 2HG GLU 59 2HG GLU 59 12.830 -2.665 -2.127 541 H ARG 60 H ARG 60 10.661 -5.601 -1.893 542 HA ARG 60 HA ARG 60 13.394 -6.315 -1.022 543 1HB ARG 60 1HB ARG 60 10.658 -6.633 0.249 544 2HB ARG 60 2HB ARG 60 12.203 -7.027 1.002 545 1HG ARG 60 1HG ARG 60 12.909 -4.687 0.941 546 2HG ARG 60 2HG ARG 60 11.524 -4.187 -0.027 547 1HD ARG 60 1HD ARG 60 11.164 -3.658 2.385 548 2HD ARG 60 2HD ARG 60 9.992 -4.854 1.854 549 HE ARG 60 HE ARG 60 12.300 -5.238 3.689 550 1HH1 ARG 60 2HH2 ARG 60 9.392 -6.724 2.220 551 2HH1 ARG 60 1HH2 ARG 60 9.508 -8.152 3.175 552 1HH2 ARG 60 2HH1 ARG 60 12.206 -6.985 5.159 553 2HH2 ARG 60 1HH1 ARG 60 11.099 -8.277 4.934 554 H GLU 61 H GLU 61 10.660 -7.612 -2.659 555 HA GLU 61 HA GLU 61 11.357 -10.430 -2.472 556 1HB GLU 61 1HB GLU 61 9.985 -8.979 -4.780 557 2HB GLU 61 2HB GLU 61 10.121 -10.715 -4.573 558 1HG GLU 61 1HG GLU 61 8.779 -10.551 -2.477 559 2HG GLU 61 2HG GLU 61 8.568 -8.823 -2.771 560 H LEU 62 H LEU 62 12.085 -7.905 -5.131 561 HA LEU 62 HA LEU 62 13.999 -9.683 -6.256 562 1HB LEU 62 1HB LEU 62 14.341 -6.776 -6.631 563 2HB LEU 62 2HB LEU 62 14.411 -8.080 -7.796 564 HG LEU 62 HG LEU 62 12.655 -6.981 -8.586 565 1HD1 LEU 62 1HD1 LEU 62 10.611 -7.987 -8.362 566 2HD1 LEU 62 2HD1 LEU 62 11.779 -9.240 -7.949 567 3HD1 LEU 62 3HD1 LEU 62 10.870 -8.412 -6.668 568 1HD2 LEU 62 1HD2 LEU 62 10.957 -5.756 -7.074 569 2HD2 LEU 62 2HD2 LEU 62 12.247 -5.947 -5.856 570 3HD2 LEU 62 3HD2 LEU 62 12.571 -5.100 -7.370 571 H GLY 63 H GLY 63 14.193 -7.722 -3.447 572 1HA GLY 63 1HA GLY 63 15.942 -7.336 -2.052 573 2HA GLY 63 2HA GLY 63 17.036 -8.175 -3.170 574 H ILE 64 H ILE 64 15.076 -5.343 -4.158 575 HA ILE 64 HA ILE 64 17.302 -3.949 -5.135 576 HB ILE 64 HB ILE 64 14.442 -3.215 -4.379 577 1HG1 ILE 64 1HG1 ILE 64 14.778 -4.678 -6.357 578 2HG1 ILE 64 2HG1 ILE 64 13.905 -3.188 -6.649 579 1HG2 ILE 64 1HG2 ILE 64 15.522 -1.180 -4.037 580 2HG2 ILE 64 2HG2 ILE 64 16.449 -1.309 -5.549 581 3HG2 ILE 64 3HG2 ILE 64 14.674 -1.091 -5.582 582 1HD1 ILE 64 1HD1 ILE 64 16.823 -3.692 -7.378 583 2HD1 ILE 64 2HD1 ILE 64 15.433 -3.685 -8.483 584 3HD1 ILE 64 3HD1 ILE 64 15.915 -2.186 -7.684 585 H ARG 65 H ARG 65 15.626 -4.082 -2.127 586 HA ARG 65 HA ARG 65 17.516 -2.181 -0.793 587 1HB ARG 65 1HB ARG 65 14.520 -2.453 -0.709 588 2HB ARG 65 2HB ARG 65 15.312 -1.963 0.770 589 1HG ARG 65 1HG ARG 65 16.175 -0.569 -1.766 590 2HG ARG 65 2HG ARG 65 14.611 -0.144 -1.089 591 1HD ARG 65 1HD ARG 65 16.965 -0.300 0.784 592 2HD ARG 65 2HD ARG 65 16.830 1.091 -0.304 593 HE ARG 65 HE ARG 65 14.313 0.809 0.809 594 1HH1 ARG 65 2HH2 ARG 65 17.575 1.521 2.066 595 2HH1 ARG 65 1HH2 ARG 65 16.984 2.659 3.240 596 1HH2 ARG 65 2HH1 ARG 65 13.632 2.346 2.203 597 2HH2 ARG 65 1HH1 ARG 65 14.740 3.096 3.389 598 H ARG 66 H ARG 66 17.662 -5.132 -1.191 599 HA ARG 66 HA ARG 66 18.095 -6.987 -0.202 600 1HB ARG 66 1HB ARG 66 19.749 -5.296 0.867 601 2HB ARG 66 2HB ARG 66 18.808 -5.498 2.344 602 1HG ARG 66 1HG ARG 66 19.612 -8.022 1.000 603 2HG ARG 66 2HG ARG 66 20.972 -7.034 1.485 604 1HD ARG 66 1HD ARG 66 18.766 -7.630 3.475 605 2HD ARG 66 2HD ARG 66 20.013 -8.828 3.115 606 HE ARG 66 HE ARG 66 21.426 -6.515 3.608 607 1HH1 ARG 66 2HH2 ARG 66 19.110 -8.436 5.458 608 2HH1 ARG 66 1HH2 ARG 66 19.789 -8.060 7.006 609 1HH2 ARG 66 2HH1 ARG 66 22.296 -5.925 5.666 610 2HH2 ARG 66 1HH1 ARG 66 21.624 -6.529 7.123 Start of MODEL 11 1 1H MET 1 1H MET 1 13.883 9.294 -1.104 2 HA MET 1 HA MET 1 11.933 7.859 -1.041 3 1HB MET 1 1HB MET 1 12.201 5.458 -1.703 4 2HB MET 1 2HB MET 1 12.232 6.575 -3.062 5 1HG MET 1 1HG MET 1 14.685 6.441 -3.142 6 2HG MET 1 2HG MET 1 14.676 5.291 -1.811 7 1HE MET 1 1HE MET 1 15.737 5.413 -5.067 8 2HE MET 1 2HE MET 1 16.406 4.322 -3.848 9 3HE MET 1 3HE MET 1 15.761 3.666 -5.368 10 H LYS 2 H LYS 2 11.636 7.088 1.105 11 HA LYS 2 HA LYS 2 13.686 5.426 2.207 12 1HB LYS 2 1HB LYS 2 14.386 7.918 2.663 13 2HB LYS 2 2HB LYS 2 13.093 7.888 3.863 14 1HG LYS 2 1HG LYS 2 14.154 6.136 5.113 15 2HG LYS 2 2HG LYS 2 15.267 5.758 3.796 16 1HD LYS 2 1HD LYS 2 15.255 8.366 5.371 17 2HD LYS 2 2HD LYS 2 16.293 6.992 5.725 18 1HE LYS 2 1HE LYS 2 16.333 8.648 3.158 19 2HE LYS 2 2HE LYS 2 17.487 8.737 4.486 20 1HZ LYS 2 1HZ LYS 2 18.556 7.396 3.025 21 2HZ LYS 2 2HZ LYS 2 17.818 6.225 3.917 22 3HZ LYS 2 3HZ LYS 2 17.228 6.651 2.448 23 H ALA 3 H ALA 3 12.971 4.647 4.401 24 HA ALA 3 HA ALA 3 10.025 4.504 4.678 25 1HB ALA 3 1HB ALA 3 12.094 2.225 4.770 26 2HB ALA 3 2HB ALA 3 10.395 2.097 5.306 27 3HB ALA 3 3HB ALA 3 10.793 2.445 3.621 28 H SER 4 H SER 4 12.677 3.076 6.316 29 HA SER 4 HA SER 4 13.415 2.853 8.310 30 1HB SER 4 1HB SER 4 13.853 5.380 8.223 31 2HB SER 4 2HB SER 4 12.333 5.579 9.112 32 HG SER 4 HG SER 4 13.593 5.346 10.740 33 H GLU 5 H GLU 5 10.272 4.353 8.331 34 HA GLU 5 HA GLU 5 9.334 2.776 10.624 35 1HB GLU 5 1HB GLU 5 7.187 3.854 10.286 36 2HB GLU 5 2HB GLU 5 8.497 5.025 10.201 37 1HG GLU 5 1HG GLU 5 8.348 4.639 7.593 38 2HG GLU 5 2HG GLU 5 6.778 3.965 7.960 39 H LEU 6 H LEU 6 8.586 2.739 7.125 40 HA LEU 6 HA LEU 6 6.929 0.369 7.322 41 1HB LEU 6 1HB LEU 6 8.219 1.969 5.059 42 2HB LEU 6 2HB LEU 6 7.471 0.443 4.706 43 HG LEU 6 HG LEU 6 6.091 2.847 5.983 44 1HD1 LEU 6 1HD1 LEU 6 5.028 3.195 3.863 45 2HD1 LEU 6 2HD1 LEU 6 6.756 3.016 3.527 46 3HD1 LEU 6 3HD1 LEU 6 5.685 1.660 3.218 47 1HD2 LEU 6 1HD2 LEU 6 5.019 0.140 5.131 48 2HD2 LEU 6 2HD2 LEU 6 4.913 0.869 6.752 49 3HD2 LEU 6 3HD2 LEU 6 3.975 1.549 5.436 50 H ARG 7 H ARG 7 10.346 0.541 7.284 51 HA ARG 7 HA ARG 7 10.484 -2.326 6.584 52 1HB ARG 7 1HB ARG 7 12.712 -1.957 6.293 53 2HB ARG 7 2HB ARG 7 11.904 -0.626 5.479 54 1HG ARG 7 1HG ARG 7 13.423 0.694 6.487 55 2HG ARG 7 2HG ARG 7 12.484 0.442 7.954 56 1HD ARG 7 1HD ARG 7 14.001 -1.776 8.115 57 2HD ARG 7 2HD ARG 7 15.074 -0.832 7.100 58 HE ARG 7 HE ARG 7 15.007 0.934 8.921 59 1HH1 ARG 7 2HH2 ARG 7 14.700 -2.561 9.724 60 2HH1 ARG 7 1HH2 ARG 7 15.048 -2.302 11.393 61 1HH2 ARG 7 2HH1 ARG 7 15.679 1.182 10.965 62 2HH2 ARG 7 1HH1 ARG 7 15.789 -0.174 12.078 63 H ASN 8 H ASN 8 9.954 -0.479 9.185 64 HA ASN 8 HA ASN 8 11.741 -1.767 11.170 65 1HB ASN 8 1HB ASN 8 10.134 0.624 11.163 66 2HB ASN 8 2HB ASN 8 9.529 -0.397 12.443 67 1HD2 ASN 8 1HD2 ASN 8 12.331 1.299 11.210 68 2HD2 ASN 8 2HD2 ASN 8 13.215 1.350 12.739 69 H TYR 9 H TYR 9 8.467 -2.472 9.927 70 HA TYR 9 HA TYR 9 7.370 -3.467 12.266 71 1HB TYR 9 1HB TYR 9 6.671 -3.517 9.349 72 2HB TYR 9 2HB TYR 9 5.720 -4.366 10.537 73 HD1 TYR 9 HD1 TYR 9 6.754 -1.252 9.052 74 HD2 TYR 9 HD2 TYR 9 4.534 -2.938 12.337 75 HE1 TYR 9 HE1 TYR 9 5.733 0.976 9.498 76 HE2 TYR 9 HE2 TYR 9 3.497 -0.737 12.772 77 HH TYR 9 HH TYR 9 3.216 1.492 11.934 78 H THR 10 H THR 10 6.499 -5.909 12.375 79 HA THR 10 HA THR 10 8.843 -7.663 12.274 80 HB THR 10 HB THR 10 7.208 -9.282 13.069 81 HG1 THR 10 HG1 THR 10 5.118 -8.705 13.535 82 1HG2 THR 10 1HG2 THR 10 8.423 -7.706 14.694 83 2HG2 THR 10 2HG2 THR 10 6.939 -6.730 14.737 84 3HG2 THR 10 3HG2 THR 10 6.908 -8.406 15.312 85 H ASP 11 H ASP 11 8.536 -9.875 11.059 86 HA ASP 11 HA ASP 11 8.036 -9.396 8.339 87 1HB ASP 11 1HB ASP 11 8.204 -11.917 9.952 88 2HB ASP 11 2HB ASP 11 7.565 -11.958 8.293 89 H GLU 12 H GLU 12 5.762 -10.649 10.768 90 HA GLU 12 HA GLU 12 3.635 -11.105 8.895 91 1HB GLU 12 1HB GLU 12 4.028 -11.304 11.804 92 2HB GLU 12 2HB GLU 12 2.490 -10.523 11.427 93 1HG GLU 12 1HG GLU 12 2.051 -12.861 11.538 94 2HG GLU 12 2HG GLU 12 1.883 -12.348 9.861 95 H GLU 13 H GLU 13 4.476 -8.247 10.946 96 HA GLU 13 HA GLU 13 2.093 -6.800 10.168 97 1HB GLU 13 1HB GLU 13 4.696 -6.134 11.517 98 2HB GLU 13 2HB GLU 13 3.670 -4.817 10.950 99 1HG GLU 13 1HG GLU 13 2.595 -7.061 12.706 100 2HG GLU 13 2HG GLU 13 3.325 -5.574 13.311 101 H LEU 14 H LEU 14 5.379 -7.031 8.986 102 HA LEU 14 HA LEU 14 5.219 -4.922 7.125 103 1HB LEU 14 1HB LEU 14 6.883 -7.488 7.060 104 2HB LEU 14 2HB LEU 14 7.076 -6.108 6.005 105 HG LEU 14 HG LEU 14 7.351 -5.704 8.960 106 1HD1 LEU 14 1HD1 LEU 14 9.896 -6.103 8.587 107 2HD1 LEU 14 2HD1 LEU 14 8.877 -7.494 8.816 108 3HD1 LEU 14 3HD1 LEU 14 9.388 -7.064 7.171 109 1HD2 LEU 14 1HD2 LEU 14 7.425 -3.812 7.296 110 2HD2 LEU 14 2HD2 LEU 14 8.699 -3.943 8.537 111 3HD2 LEU 14 3HD2 LEU 14 9.044 -4.444 6.864 112 H LYS 15 H LYS 15 3.854 -8.070 6.820 113 HA LYS 15 HA LYS 15 3.105 -7.463 3.986 114 1HB LYS 15 1HB LYS 15 2.211 -9.808 4.014 115 2HB LYS 15 2HB LYS 15 3.956 -9.700 4.199 116 1HG LYS 15 1HG LYS 15 3.607 -11.291 5.762 117 2HG LYS 15 2HG LYS 15 3.437 -9.886 6.778 118 1HD LYS 15 1HD LYS 15 1.637 -11.114 7.496 119 2HD LYS 15 2HD LYS 15 0.810 -10.220 6.234 120 1HE LYS 15 1HE LYS 15 1.904 -13.048 6.007 121 2HE LYS 15 2HE LYS 15 0.225 -12.603 6.311 122 1HZ LYS 15 1HZ LYS 15 0.551 -13.086 4.006 123 2HZ LYS 15 2HZ LYS 15 0.193 -11.480 4.170 124 3HZ LYS 15 3HZ LYS 15 1.757 -12.010 3.872 125 H ASN 16 H ASN 16 1.694 -8.183 7.259 126 HA ASN 16 HA ASN 16 -0.997 -7.855 6.490 127 1HB ASN 16 1HB ASN 16 -0.160 -8.781 8.595 128 2HB ASN 16 2HB ASN 16 0.411 -7.152 9.048 129 1HD2 ASN 16 1HD2 ASN 16 -0.847 -6.411 10.672 130 2HD2 ASN 16 2HD2 ASN 16 -2.602 -6.512 10.697 131 H LEU 17 H LEU 17 1.534 -5.499 6.528 132 HA LEU 17 HA LEU 17 -0.368 -3.236 6.868 133 1HB LEU 17 1HB LEU 17 1.444 -1.810 6.415 134 2HB LEU 17 2HB LEU 17 1.795 -2.954 7.765 135 HG LEU 17 HG LEU 17 3.310 -4.025 5.869 136 1HD1 LEU 17 1HD1 LEU 17 2.782 -2.380 4.102 137 2HD1 LEU 17 2HD1 LEU 17 3.162 -1.044 5.178 138 3HD1 LEU 17 3HD1 LEU 17 4.445 -2.155 4.644 139 1HD2 LEU 17 1HD2 LEU 17 4.048 -3.160 8.086 140 2HD2 LEU 17 2HD2 LEU 17 5.173 -2.638 6.820 141 3HD2 LEU 17 3HD2 LEU 17 3.955 -1.510 7.493 142 H LEU 18 H LEU 18 1.734 -4.622 4.530 143 HA LEU 18 HA LEU 18 0.798 -2.768 2.533 144 1HB LEU 18 1HB LEU 18 1.973 -5.139 1.410 145 2HB LEU 18 2HB LEU 18 2.396 -3.388 1.276 146 HG LEU 18 HG LEU 18 3.432 -4.621 3.671 147 1HD1 LEU 18 1HD1 LEU 18 4.986 -6.140 2.428 148 2HD1 LEU 18 2HD1 LEU 18 3.280 -6.659 2.223 149 3HD1 LEU 18 3HD1 LEU 18 4.054 -5.801 0.939 150 1HD2 LEU 18 1HD2 LEU 18 5.020 -3.681 1.226 151 2HD2 LEU 18 2HD2 LEU 18 4.438 -2.554 2.436 152 3HD2 LEU 18 3HD2 LEU 18 5.580 -3.830 2.896 153 H GLU 19 H GLU 19 0.042 -6.051 3.271 154 HA GLU 19 HA GLU 19 -1.371 -6.694 0.883 155 1HB GLU 19 1HB GLU 19 -1.694 -8.717 1.890 156 2HB GLU 19 2HB GLU 19 -0.370 -8.098 2.887 157 1HG GLU 19 1HG GLU 19 -1.973 -7.421 4.618 158 2HG GLU 19 2HG GLU 19 -3.305 -8.047 3.654 159 H GLU 20 H GLU 20 -2.278 -4.915 3.839 160 HA GLU 20 HA GLU 20 -5.083 -5.020 3.209 161 1HB GLU 20 1HB GLU 20 -4.175 -4.773 5.559 162 2HB GLU 20 2HB GLU 20 -3.827 -3.067 5.140 163 1HG GLU 20 1HG GLU 20 -6.260 -2.902 4.358 164 2HG GLU 20 2HG GLU 20 -6.523 -4.536 4.934 165 H LYS 21 H LYS 21 -2.522 -2.393 3.027 166 HA LYS 21 HA LYS 21 -4.134 -0.509 1.810 167 1HB LYS 21 1HB LYS 21 -1.141 -1.038 1.497 168 2HB LYS 21 2HB LYS 21 -1.931 0.492 1.102 169 1HG LYS 21 1HG LYS 21 -2.100 -0.667 3.908 170 2HG LYS 21 2HG LYS 21 -0.723 0.255 3.387 171 1HD LYS 21 1HD LYS 21 -3.500 1.447 3.138 172 2HD LYS 21 2HD LYS 21 -2.622 1.399 4.671 173 1HE LYS 21 1HE LYS 21 -0.637 2.306 3.042 174 2HE LYS 21 2HE LYS 21 -2.041 3.040 2.239 175 1HZ LYS 21 1HZ LYS 21 -1.085 4.463 3.941 176 2HZ LYS 21 2HZ LYS 21 -2.580 4.012 4.487 177 3HZ LYS 21 3HZ LYS 21 -1.234 3.287 5.070 178 H LYS 22 H LYS 22 -1.877 -2.866 0.098 179 HA LYS 22 HA LYS 22 -2.679 -2.452 -2.470 180 1HB LYS 22 1HB LYS 22 -0.873 -3.900 -1.729 181 2HB LYS 22 2HB LYS 22 -2.017 -5.057 -1.023 182 1HG LYS 22 1HG LYS 22 -2.839 -5.631 -3.255 183 2HG LYS 22 2HG LYS 22 -1.757 -4.430 -3.982 184 1HD LYS 22 1HD LYS 22 0.207 -5.648 -3.292 185 2HD LYS 22 2HD LYS 22 -0.775 -6.777 -2.318 186 1HE LYS 22 1HE LYS 22 -1.880 -7.591 -4.346 187 2HE LYS 22 2HE LYS 22 -0.980 -6.445 -5.344 188 1HZ LYS 22 1HZ LYS 22 1.066 -7.654 -4.808 189 2HZ LYS 22 2HZ LYS 22 0.287 -8.606 -3.748 190 3HZ LYS 22 3HZ LYS 22 -0.101 -8.730 -5.302 191 H ARG 23 H ARG 23 -4.614 -4.494 -0.068 192 HA ARG 23 HA ARG 23 -6.466 -5.154 -2.217 193 1HB ARG 23 1HB ARG 23 -7.920 -6.109 -0.705 194 2HB ARG 23 2HB ARG 23 -6.305 -6.638 -0.248 195 1HG ARG 23 1HG ARG 23 -6.360 -5.113 1.634 196 2HG ARG 23 2HG ARG 23 -7.980 -4.540 1.234 197 1HD ARG 23 1HD ARG 23 -7.113 -7.329 2.105 198 2HD ARG 23 2HD ARG 23 -8.002 -6.131 3.058 199 HE ARG 23 HE ARG 23 -9.421 -6.766 0.623 200 1HH1 ARG 23 2HH2 ARG 23 -8.945 -8.007 3.963 201 2HH1 ARG 23 1HH2 ARG 23 -10.302 -9.084 3.792 202 1HH2 ARG 23 2HH1 ARG 23 -11.144 -8.014 0.531 203 2HH2 ARG 23 1HH1 ARG 23 -11.667 -9.029 1.856 204 H GLN 24 H GLN 24 -6.581 -2.828 0.535 205 HA GLN 24 HA GLN 24 -9.035 -1.758 0.234 206 1HB GLN 24 1HB GLN 24 -6.362 -0.645 1.086 207 2HB GLN 24 2HB GLN 24 -7.667 0.472 0.809 208 1HG GLN 24 1HG GLN 24 -8.865 -1.481 2.415 209 2HG GLN 24 2HG GLN 24 -7.210 -1.339 3.006 210 1HE2 GLN 24 1HE2 GLN 24 -6.650 0.357 4.302 211 2HE2 GLN 24 2HE2 GLN 24 -7.664 1.701 4.698 212 H LEU 25 H LEU 25 -6.115 -0.635 -1.612 213 HA LEU 25 HA LEU 25 -7.484 1.435 -3.008 214 1HB LEU 25 1HB LEU 25 -5.171 1.242 -2.992 215 2HB LEU 25 2HB LEU 25 -5.190 -0.394 -3.593 216 HG LEU 25 HG LEU 25 -4.311 1.404 -5.103 217 1HD1 LEU 25 1HD1 LEU 25 -5.033 0.470 -7.110 218 2HD1 LEU 25 2HD1 LEU 25 -5.098 -0.845 -5.935 219 3HD1 LEU 25 3HD1 LEU 25 -6.590 -0.039 -6.463 220 1HD2 LEU 25 1HD2 LEU 25 -5.947 3.175 -4.641 221 2HD2 LEU 25 2HD2 LEU 25 -5.928 2.793 -6.381 222 3HD2 LEU 25 3HD2 LEU 25 -7.217 2.183 -5.385 223 H MET 26 H MET 26 -7.232 -2.063 -3.834 224 HA MET 26 HA MET 26 -8.667 -1.844 -6.295 225 1HB MET 26 1HB MET 26 -7.180 -3.586 -6.243 226 2HB MET 26 2HB MET 26 -7.484 -3.973 -4.563 227 1HG MET 26 1HG MET 26 -9.525 -5.008 -4.999 228 2HG MET 26 2HG MET 26 -9.535 -4.457 -6.693 229 1HE MET 26 1HE MET 26 -9.361 -8.348 -7.024 230 2HE MET 26 2HE MET 26 -10.181 -7.452 -5.730 231 3HE MET 26 3HE MET 26 -10.276 -6.873 -7.410 232 H GLU 27 H GLU 27 -9.570 -2.194 -2.918 233 HA GLU 27 HA GLU 27 -12.273 -3.263 -3.629 234 1HB GLU 27 1HB GLU 27 -11.465 -2.423 -0.823 235 2HB GLU 27 2HB GLU 27 -12.723 -3.545 -1.343 236 1HG GLU 27 1HG GLU 27 -10.384 -4.685 -2.362 237 2HG GLU 27 2HG GLU 27 -9.848 -3.953 -0.844 238 H LEU 28 H LEU 28 -10.797 -0.270 -2.484 239 HA LEU 28 HA LEU 28 -13.233 1.173 -2.123 240 1HB LEU 28 1HB LEU 28 -10.369 1.993 -2.570 241 2HB LEU 28 2HB LEU 28 -11.658 3.108 -2.136 242 HG LEU 28 HG LEU 28 -10.677 0.792 -0.408 243 1HD1 LEU 28 1HD1 LEU 28 -9.431 2.375 0.798 244 2HD1 LEU 28 2HD1 LEU 28 -9.138 2.803 -0.898 245 3HD1 LEU 28 3HD1 LEU 28 -10.289 3.732 0.066 246 1HD2 LEU 28 1HD2 LEU 28 -12.742 2.885 0.215 247 2HD2 LEU 28 2HD2 LEU 28 -12.918 1.121 0.207 248 3HD2 LEU 28 3HD2 LEU 28 -11.876 1.864 1.419 249 H ARG 29 H ARG 29 -10.931 0.878 -4.830 250 HA ARG 29 HA ARG 29 -12.494 2.537 -6.611 251 1HB ARG 29 1HB ARG 29 -11.485 1.490 -8.522 252 2HB ARG 29 2HB ARG 29 -10.254 1.843 -7.296 253 1HG ARG 29 1HG ARG 29 -10.175 -0.462 -6.662 254 2HG ARG 29 2HG ARG 29 -11.527 -0.911 -7.691 255 1HD ARG 29 1HD ARG 29 -9.215 0.403 -9.055 256 2HD ARG 29 2HD ARG 29 -8.927 -1.204 -8.393 257 HE ARG 29 HE ARG 29 -11.382 -1.285 -9.814 258 1HH1 ARG 29 2HH2 ARG 29 -8.073 -0.566 -10.772 259 2HH1 ARG 29 1HH2 ARG 29 -7.996 -1.739 -12.036 260 1HH2 ARG 29 2HH1 ARG 29 -11.321 -2.943 -11.373 261 2HH2 ARG 29 1HH1 ARG 29 -9.946 -3.128 -12.420 262 H PHE 30 H PHE 30 -13.108 -0.638 -5.367 263 HA PHE 30 HA PHE 30 -15.112 -1.410 -7.338 264 1HB PHE 30 1HB PHE 30 -13.835 -3.203 -6.562 265 2HB PHE 30 2HB PHE 30 -13.643 -2.561 -5.019 266 HD1 PHE 30 HD1 PHE 30 -15.869 -2.415 -3.475 267 HD2 PHE 30 HD2 PHE 30 -15.049 -5.225 -6.654 268 HE1 PHE 30 HE1 PHE 30 -17.268 -4.083 -2.350 269 HE2 PHE 30 HE2 PHE 30 -16.408 -6.926 -5.477 270 HZ PHE 30 HZ PHE 30 -17.539 -6.334 -3.335 271 H GLN 31 H GLN 31 -14.970 0.585 -4.336 272 HA GLN 31 HA GLN 31 -17.743 0.101 -3.624 273 1HB GLN 31 1HB GLN 31 -15.471 1.842 -2.620 274 2HB GLN 31 2HB GLN 31 -17.104 2.103 -2.115 275 1HG GLN 31 1HG GLN 31 -16.212 -0.748 -1.964 276 2HG GLN 31 2HG GLN 31 -15.284 0.347 -0.982 277 1HE2 GLN 31 1HE2 GLN 31 -17.161 -1.801 -0.179 278 2HE2 GLN 31 2HE2 GLN 31 -18.430 -1.055 0.786 279 H LEU 32 H LEU 32 -15.551 2.397 -5.220 280 HA LEU 32 HA LEU 32 -17.444 4.429 -5.800 281 1HB LEU 32 1HB LEU 32 -14.847 4.359 -5.959 282 2HB LEU 32 2HB LEU 32 -15.055 3.573 -7.506 283 HG LEU 32 HG LEU 32 -14.617 5.761 -7.816 284 1HD1 LEU 32 1HD1 LEU 32 -16.372 4.888 -9.366 285 2HD1 LEU 32 2HD1 LEU 32 -17.563 5.811 -8.395 286 3HD1 LEU 32 3HD1 LEU 32 -16.263 6.648 -9.247 287 1HD2 LEU 32 1HD2 LEU 32 -15.349 6.710 -5.615 288 2HD2 LEU 32 2HD2 LEU 32 -16.067 7.668 -6.916 289 3HD2 LEU 32 3HD2 LEU 32 -17.051 6.468 -6.059 290 H ALA 33 H ALA 33 -16.219 1.814 -7.750 291 HA ALA 33 HA ALA 33 -17.995 1.819 -9.946 292 1HB ALA 33 1HB ALA 33 -16.757 -0.609 -8.607 293 2HB ALA 33 2HB ALA 33 -17.319 -0.499 -10.281 294 3HB ALA 33 3HB ALA 33 -15.903 0.442 -9.775 295 H MET 34 H MET 34 -18.751 0.924 -6.566 296 HA MET 34 HA MET 34 -21.238 -0.202 -7.493 297 1HB MET 34 1HB MET 34 -19.601 -0.311 -4.958 298 2HB MET 34 2HB MET 34 -21.317 -0.626 -4.870 299 1HG MET 34 1HG MET 34 -19.779 -2.060 -7.000 300 2HG MET 34 2HG MET 34 -19.490 -2.542 -5.338 301 1HE MET 34 1HE MET 34 -23.028 -1.497 -7.208 302 2HE MET 34 2HE MET 34 -22.024 -2.448 -8.332 303 3HE MET 34 3HE MET 34 -23.496 -3.154 -7.646 304 H GLY 35 H GLY 35 -19.950 2.727 -6.437 305 1HA GLY 35 1HA GLY 35 -20.738 4.742 -6.280 306 2HA GLY 35 2HA GLY 35 -22.437 4.173 -6.508 307 H GLN 36 H GLN 36 -19.809 3.377 -4.227 308 HA GLN 36 HA GLN 36 -21.592 4.018 -1.953 309 1HB GLN 36 1HB GLN 36 -19.343 1.984 -2.135 310 2HB GLN 36 2HB GLN 36 -20.455 2.187 -0.779 311 1HG GLN 36 1HG GLN 36 -21.175 1.389 -3.616 312 2HG GLN 36 2HG GLN 36 -21.012 0.261 -2.262 313 1HE2 GLN 36 1HE2 GLN 36 -23.399 1.543 -4.076 314 2HE2 GLN 36 2HE2 GLN 36 -24.605 1.869 -2.838 315 H LEU 37 H LEU 37 -18.367 4.082 -3.216 316 HA LEU 37 HA LEU 37 -16.982 5.211 -1.017 317 1HB LEU 37 1HB LEU 37 -16.153 4.206 -3.279 318 2HB LEU 37 2HB LEU 37 -16.163 5.886 -3.805 319 HG LEU 37 HG LEU 37 -14.582 4.618 -1.535 320 1HD1 LEU 37 1HD1 LEU 37 -13.665 5.955 -4.103 321 2HD1 LEU 37 2HD1 LEU 37 -12.682 5.061 -2.918 322 3HD1 LEU 37 3HD1 LEU 37 -13.906 4.203 -3.867 323 1HD2 LEU 37 1HD2 LEU 37 -14.869 6.759 -0.628 324 2HD2 LEU 37 2HD2 LEU 37 -13.366 6.938 -1.537 325 3HD2 LEU 37 3HD2 LEU 37 -14.879 7.555 -2.209 326 H LYS 38 H LYS 38 -18.649 6.869 -3.723 327 HA LYS 38 HA LYS 38 -19.218 8.993 -4.123 328 1HB LYS 38 1HB LYS 38 -20.603 8.535 -2.131 329 2HB LYS 38 2HB LYS 38 -19.367 9.242 -1.099 330 1HG LYS 38 1HG LYS 38 -19.632 11.415 -2.190 331 2HG LYS 38 2HG LYS 38 -20.781 10.735 -3.352 332 1HD LYS 38 1HD LYS 38 -22.516 10.690 -1.843 333 2HD LYS 38 2HD LYS 38 -21.470 10.323 -0.480 334 1HE LYS 38 1HE LYS 38 -22.443 12.563 -0.234 335 2HE LYS 38 2HE LYS 38 -20.684 12.587 -0.322 336 1HZ LYS 38 1HZ LYS 38 -22.571 13.504 -2.388 337 2HZ LYS 38 2HZ LYS 38 -21.358 14.290 -1.610 338 3HZ LYS 38 3HZ LYS 38 -20.976 13.167 -2.731 339 H ASN 39 H ASN 39 -17.243 9.422 -5.081 340 HA ASN 39 HA ASN 39 -15.877 11.219 -5.690 341 1HB ASN 39 1HB ASN 39 -16.403 12.549 -3.622 342 2HB ASN 39 2HB ASN 39 -15.212 11.578 -2.744 343 1HD2 ASN 39 1HD2 ASN 39 -13.388 12.687 -2.431 344 2HD2 ASN 39 2HD2 ASN 39 -12.632 13.768 -3.599 345 H THR 40 H THR 40 -13.471 11.194 -6.006 346 HA THR 40 HA THR 40 -12.178 8.741 -4.899 347 HB THR 40 HB THR 40 -10.926 8.559 -6.936 348 HG1 THR 40 HG1 THR 40 -12.557 10.681 -7.921 349 1HG2 THR 40 1HG2 THR 40 -12.660 7.745 -8.431 350 2HG2 THR 40 2HG2 THR 40 -13.052 7.331 -6.754 351 3HG2 THR 40 3HG2 THR 40 -13.897 8.668 -7.557 352 H SER 41 H SER 41 -11.968 11.987 -4.321 353 HA SER 41 HA SER 41 -9.183 12.490 -4.786 354 1HB SER 41 1HB SER 41 -10.838 13.617 -2.485 355 2HB SER 41 2HB SER 41 -9.389 14.308 -3.179 356 HG SER 41 HG SER 41 -11.093 15.424 -4.019 357 H LEU 42 H LEU 42 -10.866 10.803 -2.076 358 HA LEU 42 HA LEU 42 -8.419 10.504 -0.643 359 1HB LEU 42 1HB LEU 42 -10.940 10.352 0.114 360 2HB LEU 42 2HB LEU 42 -10.818 8.665 -0.335 361 HG LEU 42 HG LEU 42 -10.524 9.287 2.061 362 1HD1 LEU 42 1HD1 LEU 42 -8.243 7.776 0.772 363 2HD1 LEU 42 2HD1 LEU 42 -8.427 7.908 2.500 364 3HD1 LEU 42 3HD1 LEU 42 -9.696 7.114 1.581 365 1HD2 LEU 42 1HD2 LEU 42 -7.759 10.335 1.398 366 2HD2 LEU 42 2HD2 LEU 42 -9.190 11.367 1.708 367 3HD2 LEU 42 3HD2 LEU 42 -8.579 10.282 2.959 368 H ILE 43 H ILE 43 -10.180 8.369 -3.014 369 HA ILE 43 HA ILE 43 -8.445 6.189 -2.831 370 HB ILE 43 HB ILE 43 -10.397 7.081 -4.719 371 1HG1 ILE 43 1HG1 ILE 43 -10.441 5.020 -3.293 372 2HG1 ILE 43 2HG1 ILE 43 -10.959 4.830 -4.958 373 1HG2 ILE 43 1HG2 ILE 43 -9.563 5.914 -6.793 374 2HG2 ILE 43 2HG2 ILE 43 -8.698 7.411 -6.418 375 3HG2 ILE 43 3HG2 ILE 43 -7.937 5.834 -6.072 376 1HD1 ILE 43 1HD1 ILE 43 -8.251 3.985 -3.854 377 2HD1 ILE 43 2HD1 ILE 43 -9.603 2.917 -4.288 378 3HD1 ILE 43 3HD1 ILE 43 -8.789 3.797 -5.548 379 H LYS 44 H LYS 44 -7.853 9.232 -4.738 380 HA LYS 44 HA LYS 44 -5.409 8.412 -5.816 381 1HB LYS 44 1HB LYS 44 -6.242 10.283 -6.796 382 2HB LYS 44 2HB LYS 44 -6.953 10.924 -5.333 383 1HG LYS 44 1HG LYS 44 -5.221 12.364 -6.262 384 2HG LYS 44 2HG LYS 44 -4.910 11.868 -4.599 385 1HD LYS 44 1HD LYS 44 -3.661 9.939 -6.230 386 2HD LYS 44 2HD LYS 44 -3.317 11.449 -7.038 387 1HE LYS 44 1HE LYS 44 -2.992 11.500 -4.036 388 2HE LYS 44 2HE LYS 44 -1.896 10.406 -4.906 389 1HZ LYS 44 1HZ LYS 44 -2.090 13.116 -5.956 390 2HZ LYS 44 2HZ LYS 44 -1.321 12.973 -4.553 391 3HZ LYS 44 3HZ LYS 44 -0.771 12.149 -5.849 392 H LEU 45 H LEU 45 -6.114 9.673 -2.434 393 HA LEU 45 HA LEU 45 -3.300 9.952 -1.844 394 1HB LEU 45 1HB LEU 45 -5.969 10.192 -0.403 395 2HB LEU 45 2HB LEU 45 -4.518 9.956 0.477 396 HG LEU 45 HG LEU 45 -4.885 12.218 0.542 397 1HD1 LEU 45 1HD1 LEU 45 -3.026 13.315 -0.375 398 2HD1 LEU 45 2HD1 LEU 45 -2.543 11.649 -0.037 399 3HD1 LEU 45 3HD1 LEU 45 -2.908 12.170 -1.720 400 1HD2 LEU 45 1HD2 LEU 45 -5.319 13.715 -1.323 401 2HD2 LEU 45 2HD2 LEU 45 -5.365 12.306 -2.422 402 3HD2 LEU 45 3HD2 LEU 45 -6.559 12.481 -1.117 403 H THR 46 H THR 46 -5.881 7.451 -1.691 404 HA THR 46 HA THR 46 -4.393 5.742 0.053 405 HB THR 46 HB THR 46 -6.590 5.026 -1.973 406 HG1 THR 46 HG1 THR 46 -7.997 5.743 -0.479 407 1HG2 THR 46 1HG2 THR 46 -6.038 2.946 -0.981 408 2HG2 THR 46 2HG2 THR 46 -5.585 3.733 0.575 409 3HG2 THR 46 3HG2 THR 46 -7.270 3.591 0.125 410 H LYS 47 H LYS 47 -4.921 5.794 -3.485 411 HA LYS 47 HA LYS 47 -3.187 3.844 -4.370 412 1HB LYS 47 1HB LYS 47 -4.853 5.259 -5.724 413 2HB LYS 47 2HB LYS 47 -3.743 6.612 -5.584 414 1HG LYS 47 1HG LYS 47 -3.307 5.786 -7.714 415 2HG LYS 47 2HG LYS 47 -1.987 5.120 -6.753 416 1HD LYS 47 1HD LYS 47 -3.659 3.092 -6.401 417 2HD LYS 47 2HD LYS 47 -4.490 3.791 -7.815 418 1HE LYS 47 1HE LYS 47 -1.978 3.786 -8.797 419 2HE LYS 47 2HE LYS 47 -1.680 2.613 -7.512 420 1HZ LYS 47 1HZ LYS 47 -3.701 1.391 -8.640 421 2HZ LYS 47 2HZ LYS 47 -3.365 2.340 -9.905 422 3HZ LYS 47 3HZ LYS 47 -2.227 1.320 -9.325 423 H ARG 48 H ARG 48 -2.293 7.298 -3.732 424 HA ARG 48 HA ARG 48 0.358 6.944 -4.638 425 1HB ARG 48 1HB ARG 48 0.730 9.072 -3.986 426 2HB ARG 48 2HB ARG 48 -1.032 9.046 -3.889 427 1HG ARG 48 1HG ARG 48 -0.814 8.671 -1.396 428 2HG ARG 48 2HG ARG 48 0.926 8.894 -1.576 429 1HD ARG 48 1HD ARG 48 0.342 11.160 -2.676 430 2HD ARG 48 2HD ARG 48 -1.321 10.850 -2.173 431 HE ARG 48 HE ARG 48 -0.748 11.571 -0.057 432 1HH1 ARG 48 2HH2 ARG 48 2.367 10.732 -1.650 433 2HH1 ARG 48 1HH2 ARG 48 3.231 10.987 -0.152 434 1HH2 ARG 48 2HH1 ARG 48 0.522 12.120 1.723 435 2HH2 ARG 48 1HH1 ARG 48 2.249 11.790 1.673 436 H ASP 49 H ASP 49 -1.003 6.444 -1.321 437 HA ASP 49 HA ASP 49 1.567 5.679 -0.232 438 1HB ASP 49 1HB ASP 49 -1.073 6.108 0.705 439 2HB ASP 49 2HB ASP 49 -0.734 4.475 1.139 440 H ILE 50 H ILE 50 -1.223 3.986 -1.726 441 HA ILE 50 HA ILE 50 -0.331 1.364 -1.042 442 HB ILE 50 HB ILE 50 -2.204 2.393 -3.153 443 1HG1 ILE 50 1HG1 ILE 50 -3.362 0.227 -2.263 444 2HG1 ILE 50 2HG1 ILE 50 -2.086 0.172 -1.069 445 1HG2 ILE 50 1HG2 ILE 50 -2.433 0.192 -4.284 446 2HG2 ILE 50 2HG2 ILE 50 -0.882 0.921 -4.641 447 3HG2 ILE 50 3HG2 ILE 50 -1.000 -0.396 -3.443 448 1HD1 ILE 50 1HD1 ILE 50 -3.924 2.518 -1.617 449 2HD1 ILE 50 2HD1 ILE 50 -4.152 1.333 -0.266 450 3HD1 ILE 50 3HD1 ILE 50 -2.751 2.408 -0.258 451 H ALA 51 H ALA 51 0.383 3.399 -3.907 452 HA ALA 51 HA ALA 51 2.073 1.359 -4.977 453 1HB ALA 51 1HB ALA 51 2.523 3.007 -6.723 454 2HB ALA 51 2HB ALA 51 0.800 3.108 -6.273 455 3HB ALA 51 3HB ALA 51 1.944 4.324 -5.663 456 H ARG 52 H ARG 52 2.613 3.395 -2.408 457 HA ARG 52 HA ARG 52 5.558 3.341 -2.579 458 1HB ARG 52 1HB ARG 52 4.171 5.354 -1.899 459 2HB ARG 52 2HB ARG 52 3.671 4.507 -0.450 460 1HG ARG 52 1HG ARG 52 6.578 5.011 -1.114 461 2HG ARG 52 2HG ARG 52 5.531 6.226 -0.392 462 1HD ARG 52 1HD ARG 52 5.084 4.096 1.301 463 2HD ARG 52 2HD ARG 52 6.752 3.804 0.821 464 HE ARG 52 HE ARG 52 5.732 5.787 2.601 465 1HH1 ARG 52 2HH2 ARG 52 8.198 5.687 0.019 466 2HH1 ARG 52 1HH2 ARG 52 8.865 7.234 0.387 467 1HH2 ARG 52 2HH1 ARG 52 7.003 7.568 3.415 468 2HH2 ARG 52 1HH1 ARG 52 8.286 8.220 2.460 469 H ILE 53 H ILE 53 2.994 2.380 -0.213 470 HA ILE 53 HA ILE 53 4.513 0.416 1.201 471 HB ILE 53 HB ILE 53 1.525 1.013 0.705 472 1HG1 ILE 53 1HG1 ILE 53 1.966 1.217 3.413 473 2HG1 ILE 53 2HG1 ILE 53 3.555 1.607 2.839 474 1HG2 ILE 53 1HG2 ILE 53 1.129 -0.587 2.592 475 2HG2 ILE 53 2HG2 ILE 53 1.585 -1.326 1.054 476 3HG2 ILE 53 3HG2 ILE 53 2.783 -1.148 2.364 477 1HD1 ILE 53 1HD1 ILE 53 2.061 3.549 3.302 478 2HD1 ILE 53 2HD1 ILE 53 2.733 3.534 1.653 479 3HD1 ILE 53 3HD1 ILE 53 1.034 3.000 1.969 480 H LYS 54 H LYS 54 2.331 -0.292 -1.538 481 HA LYS 54 HA LYS 54 3.042 -3.059 -1.378 482 1HB LYS 54 1HB LYS 54 1.687 -3.331 -3.369 483 2HB LYS 54 2HB LYS 54 0.887 -2.108 -2.426 484 1HG LYS 54 1HG LYS 54 0.952 -0.969 -4.495 485 2HG LYS 54 2HG LYS 54 2.584 -0.523 -3.964 486 1HD LYS 54 1HD LYS 54 2.975 -1.221 -6.087 487 2HD LYS 54 2HD LYS 54 3.401 -2.614 -5.091 488 1HE LYS 54 1HE LYS 54 1.078 -3.542 -5.550 489 2HE LYS 54 2HE LYS 54 0.824 -2.210 -6.688 490 1HZ LYS 54 1HZ LYS 54 2.965 -4.238 -6.819 491 2HZ LYS 54 2HZ LYS 54 1.625 -4.191 -7.788 492 3HZ LYS 54 3HZ LYS 54 2.784 -3.016 -7.908 493 H THR 55 H THR 55 4.797 -0.417 -2.624 494 HA THR 55 HA THR 55 6.557 -2.065 -4.277 495 HB THR 55 HB THR 55 6.378 0.824 -3.493 496 HG1 THR 55 HG1 THR 55 5.344 0.931 -5.258 497 1HG2 THR 55 1HG2 THR 55 8.731 0.513 -3.685 498 2HG2 THR 55 2HG2 THR 55 8.544 -0.433 -5.195 499 3HG2 THR 55 3HG2 THR 55 8.140 1.294 -5.145 500 H ILE 56 H ILE 56 6.540 -0.736 -0.859 501 HA ILE 56 HA ILE 56 9.231 -1.143 -0.278 502 HB ILE 56 HB ILE 56 6.674 -1.347 1.291 503 1HG1 ILE 56 1HG1 ILE 56 7.931 0.812 0.636 504 2HG1 ILE 56 2HG1 ILE 56 7.303 0.612 2.249 505 1HG2 ILE 56 1HG2 ILE 56 7.853 -1.706 3.416 506 2HG2 ILE 56 2HG2 ILE 56 7.845 -3.127 2.373 507 3HG2 ILE 56 3HG2 ILE 56 9.310 -2.144 2.508 508 1HD1 ILE 56 1HD1 ILE 56 9.603 1.600 2.085 509 2HD1 ILE 56 2HD1 ILE 56 9.494 0.232 3.213 510 3HD1 ILE 56 3HD1 ILE 56 10.194 0.023 1.570 511 H LEU 57 H LEU 57 6.661 -3.557 -0.387 512 HA LEU 57 HA LEU 57 8.514 -5.751 0.299 513 1HB LEU 57 1HB LEU 57 6.102 -5.773 0.580 514 2HB LEU 57 2HB LEU 57 5.887 -6.150 -1.136 515 HG LEU 57 HG LEU 57 7.547 -7.789 0.860 516 1HD1 LEU 57 1HD1 LEU 57 5.543 -9.455 0.653 517 2HD1 LEU 57 2HD1 LEU 57 5.415 -8.123 1.771 518 3HD1 LEU 57 3HD1 LEU 57 4.612 -8.015 0.189 519 1HD2 LEU 57 1HD2 LEU 57 7.179 -9.626 -0.877 520 2HD2 LEU 57 2HD2 LEU 57 6.621 -8.339 -1.979 521 3HD2 LEU 57 3HD2 LEU 57 8.269 -8.330 -1.282 522 H ARG 58 H ARG 58 7.342 -4.484 -2.885 523 HA ARG 58 HA ARG 58 8.812 -6.315 -4.478 524 1HB ARG 58 1HB ARG 58 7.215 -4.135 -4.989 525 2HB ARG 58 2HB ARG 58 8.773 -3.528 -5.478 526 1HG ARG 58 1HG ARG 58 7.410 -6.082 -6.463 527 2HG ARG 58 2HG ARG 58 7.626 -4.581 -7.376 528 1HD ARG 58 1HD ARG 58 10.042 -4.861 -7.366 529 2HD ARG 58 2HD ARG 58 9.926 -6.328 -6.399 530 HE ARG 58 HE ARG 58 8.643 -7.358 -8.226 531 1HH1 ARG 58 2HH2 ARG 58 11.149 -4.928 -9.060 532 2HH1 ARG 58 1HH2 ARG 58 11.782 -5.879 -10.355 533 1HH2 ARG 58 2HH1 ARG 58 9.414 -8.499 -10.056 534 2HH2 ARG 58 1HH1 ARG 58 10.613 -7.781 -11.064 535 H GLU 59 H GLU 59 9.872 -3.228 -3.166 536 HA GLU 59 HA GLU 59 12.515 -3.161 -4.126 537 1HB GLU 59 1HB GLU 59 11.518 -2.269 -1.397 538 2HB GLU 59 2HB GLU 59 13.020 -1.767 -2.132 539 1HG GLU 59 1HG GLU 59 10.647 -1.266 -3.839 540 2HG GLU 59 2HG GLU 59 10.611 -0.442 -2.284 541 H ARG 60 H ARG 60 11.180 -5.109 -1.457 542 HA ARG 60 HA ARG 60 13.824 -5.947 -0.529 543 1HB ARG 60 1HB ARG 60 10.986 -6.724 0.215 544 2HB ARG 60 2HB ARG 60 12.371 -7.637 0.818 545 1HG ARG 60 1HG ARG 60 13.190 -5.851 2.077 546 2HG ARG 60 2HG ARG 60 12.318 -4.637 1.145 547 1HD ARG 60 1HD ARG 60 10.502 -4.746 2.445 548 2HD ARG 60 2HD ARG 60 10.411 -6.485 2.367 549 HE ARG 60 HE ARG 60 11.787 -4.827 4.384 550 1HH1 ARG 60 2HH2 ARG 60 10.866 -8.132 3.319 551 2HH1 ARG 60 1HH2 ARG 60 11.208 -8.797 4.889 552 1HH2 ARG 60 2HH1 ARG 60 12.334 -5.900 6.453 553 2HH2 ARG 60 1HH1 ARG 60 12.096 -7.592 6.561 554 H GLU 61 H GLU 61 11.443 -7.111 -2.733 555 HA GLU 61 HA GLU 61 12.271 -9.833 -2.914 556 1HB GLU 61 1HB GLU 61 10.981 -8.122 -5.075 557 2HB GLU 61 2HB GLU 61 11.198 -9.870 -5.161 558 1HG GLU 61 1HG GLU 61 9.741 -10.105 -3.147 559 2HG GLU 61 2HG GLU 61 9.533 -8.369 -3.122 560 H LEU 62 H LEU 62 13.365 -6.983 -4.975 561 HA LEU 62 HA LEU 62 15.563 -8.614 -5.895 562 1HB LEU 62 1HB LEU 62 15.614 -5.777 -6.623 563 2HB LEU 62 2HB LEU 62 15.772 -7.218 -7.555 564 HG LEU 62 HG LEU 62 13.947 -6.170 -8.453 565 1HD1 LEU 62 1HD1 LEU 62 12.008 -7.590 -6.837 566 2HD1 LEU 62 2HD1 LEU 62 12.461 -7.793 -8.543 567 3HD1 LEU 62 3HD1 LEU 62 13.381 -8.604 -7.305 568 1HD2 LEU 62 1HD2 LEU 62 13.628 -4.366 -7.153 569 2HD2 LEU 62 2HD2 LEU 62 12.086 -5.190 -7.025 570 3HD2 LEU 62 3HD2 LEU 62 13.259 -5.288 -5.695 571 H GLY 63 H GLY 63 15.309 -7.023 -3.114 572 1HA GLY 63 1HA GLY 63 16.902 -6.307 -1.553 573 2HA GLY 63 2HA GLY 63 18.153 -6.935 -2.643 574 H ILE 64 H ILE 64 15.766 -4.379 -3.515 575 HA ILE 64 HA ILE 64 17.765 -2.441 -4.036 576 HB ILE 64 HB ILE 64 14.728 -2.335 -3.821 577 1HG1 ILE 64 1HG1 ILE 64 15.280 -3.944 -5.492 578 2HG1 ILE 64 2HG1 ILE 64 14.651 -2.499 -6.242 579 1HG2 ILE 64 1HG2 ILE 64 15.422 -0.113 -3.749 580 2HG2 ILE 64 2HG2 ILE 64 16.635 -0.368 -5.044 581 3HG2 ILE 64 3HG2 ILE 64 14.890 -0.413 -5.397 582 1HD1 ILE 64 1HD1 ILE 64 16.933 -1.815 -6.917 583 2HD1 ILE 64 2HD1 ILE 64 17.585 -3.288 -6.161 584 3HD1 ILE 64 3HD1 ILE 64 16.488 -3.411 -7.547 585 H ARG 65 H ARG 65 16.225 -3.563 -1.190 586 HA ARG 65 HA ARG 65 16.889 -1.146 0.344 587 1HB ARG 65 1HB ARG 65 14.164 -2.506 0.181 588 2HB ARG 65 2HB ARG 65 14.686 -1.656 1.632 589 1HG ARG 65 1HG ARG 65 14.476 -0.403 -1.144 590 2HG ARG 65 2HG ARG 65 13.292 -0.228 0.150 591 1HD ARG 65 1HD ARG 65 16.134 0.832 0.097 592 2HD ARG 65 2HD ARG 65 14.624 1.728 0.032 593 HE ARG 65 HE ARG 65 14.164 0.734 2.333 594 1HH1 ARG 65 2HH2 ARG 65 17.564 1.407 1.395 595 2HH1 ARG 65 1HH2 ARG 65 18.073 1.446 3.034 596 1HH2 ARG 65 2HH1 ARG 65 14.910 0.807 4.331 597 2HH2 ARG 65 1HH1 ARG 65 16.470 1.377 4.802 598 H ARG 66 H ARG 66 18.692 -2.673 0.348 599 HA ARG 66 HA ARG 66 18.382 -4.820 2.295 600 1HB ARG 66 1HB ARG 66 20.829 -3.302 1.227 601 2HB ARG 66 2HB ARG 66 20.898 -4.424 2.578 602 1HG ARG 66 1HG ARG 66 19.608 -6.019 0.822 603 2HG ARG 66 2HG ARG 66 20.473 -4.993 -0.330 604 1HD ARG 66 1HD ARG 66 22.623 -5.547 0.775 605 2HD ARG 66 2HD ARG 66 21.774 -6.506 1.997 606 HE ARG 66 HE ARG 66 22.591 -7.322 -0.608 607 1HH1 ARG 66 2HH2 ARG 66 20.034 -7.931 1.862 608 2HH1 ARG 66 1HH2 ARG 66 19.637 -9.476 1.219 609 1HH2 ARG 66 2HH1 ARG 66 21.686 -9.206 -1.663 610 2HH2 ARG 66 1HH1 ARG 66 20.438 -10.105 -0.872 Start of MODEL 12 1 1H MET 1 1H MET 1 14.464 7.335 -2.138 2 HA MET 1 HA MET 1 11.607 7.873 -1.571 3 1HB MET 1 1HB MET 1 12.847 5.562 -3.085 4 2HB MET 1 2HB MET 1 11.204 5.515 -2.421 5 1HG MET 1 1HG MET 1 10.439 7.247 -3.850 6 2HG MET 1 2HG MET 1 12.056 7.775 -4.234 7 1HE MET 1 1HE MET 1 10.044 4.368 -4.380 8 2HE MET 1 2HE MET 1 9.099 5.482 -5.391 9 3HE MET 1 3HE MET 1 9.958 4.116 -6.133 10 H LYS 2 H LYS 2 12.380 8.210 0.632 11 HA LYS 2 HA LYS 2 13.789 6.023 1.955 12 1HB LYS 2 1HB LYS 2 14.063 8.617 2.191 13 2HB LYS 2 2HB LYS 2 12.691 8.506 3.308 14 1HG LYS 2 1HG LYS 2 13.901 7.045 4.760 15 2HG LYS 2 2HG LYS 2 15.206 6.841 3.564 16 1HD LYS 2 1HD LYS 2 15.343 9.502 3.853 17 2HD LYS 2 2HD LYS 2 14.599 9.155 5.413 18 1HE LYS 2 1HE LYS 2 17.202 7.996 4.294 19 2HE LYS 2 2HE LYS 2 17.063 9.210 5.573 20 1HZ LYS 2 1HZ LYS 2 17.435 7.079 6.531 21 2HZ LYS 2 2HZ LYS 2 15.910 7.543 6.901 22 3HZ LYS 2 3HZ LYS 2 16.162 6.401 5.726 23 H ALA 3 H ALA 3 12.983 5.226 4.117 24 HA ALA 3 HA ALA 3 10.048 5.258 4.520 25 1HB ALA 3 1HB ALA 3 10.167 2.926 5.332 26 2HB ALA 3 2HB ALA 3 10.363 3.119 3.583 27 3HB ALA 3 3HB ALA 3 11.773 2.771 4.589 28 H SER 4 H SER 4 12.582 3.583 6.192 29 HA SER 4 HA SER 4 13.200 3.337 8.251 30 1HB SER 4 1HB SER 4 12.418 6.223 8.831 31 2HB SER 4 2HB SER 4 13.334 5.142 9.889 32 HG SER 4 HG SER 4 14.506 6.673 8.429 33 H GLU 5 H GLU 5 10.346 5.273 8.093 34 HA GLU 5 HA GLU 5 8.840 4.230 10.260 35 1HB GLU 5 1HB GLU 5 6.960 5.403 9.201 36 2HB GLU 5 2HB GLU 5 8.440 6.351 9.159 37 1HG GLU 5 1HG GLU 5 8.639 5.274 6.701 38 2HG GLU 5 2HG GLU 5 6.902 5.156 6.881 39 H LEU 6 H LEU 6 8.429 3.541 6.849 40 HA LEU 6 HA LEU 6 6.654 1.240 7.244 41 1HB LEU 6 1HB LEU 6 7.918 2.797 4.941 42 2HB LEU 6 2HB LEU 6 7.199 1.224 4.597 43 HG LEU 6 HG LEU 6 5.656 3.381 6.101 44 1HD1 LEU 6 1HD1 LEU 6 6.438 4.306 4.011 45 2HD1 LEU 6 2HD1 LEU 6 5.796 2.912 3.100 46 3HD1 LEU 6 3HD1 LEU 6 4.688 4.029 3.946 47 1HD2 LEU 6 1HD2 LEU 6 4.689 1.133 6.249 48 2HD2 LEU 6 2HD2 LEU 6 3.694 2.150 5.225 49 3HD2 LEU 6 3HD2 LEU 6 4.764 0.936 4.489 50 H ARG 7 H ARG 7 10.083 1.589 7.108 51 HA ARG 7 HA ARG 7 10.551 -1.164 6.295 52 1HB ARG 7 1HB ARG 7 12.049 0.791 5.812 53 2HB ARG 7 2HB ARG 7 12.366 0.979 7.543 54 1HG ARG 7 1HG ARG 7 12.742 -1.674 6.207 55 2HG ARG 7 2HG ARG 7 13.915 -0.399 5.894 56 1HD ARG 7 1HD ARG 7 14.979 -0.843 7.755 57 2HD ARG 7 2HD ARG 7 13.549 -0.535 8.748 58 HE ARG 7 HE ARG 7 12.891 -2.911 8.314 59 1HH1 ARG 7 2HH2 ARG 7 16.309 -1.978 8.555 60 2HH1 ARG 7 1HH2 ARG 7 16.908 -3.617 8.508 61 1HH2 ARG 7 2HH1 ARG 7 13.619 -4.995 8.423 62 2HH2 ARG 7 1HH1 ARG 7 15.289 -5.405 8.632 63 H ASN 8 H ASN 8 9.615 0.621 9.117 64 HA ASN 8 HA ASN 8 11.155 -0.937 10.992 65 1HB ASN 8 1HB ASN 8 9.975 1.498 11.186 66 2HB ASN 8 2HB ASN 8 8.736 0.555 11.967 67 1HD2 ASN 8 1HD2 ASN 8 9.640 -0.959 13.866 68 2HD2 ASN 8 2HD2 ASN 8 10.977 -0.297 14.770 69 H TYR 9 H TYR 9 8.439 -2.183 9.239 70 HA TYR 9 HA TYR 9 7.150 -3.262 11.560 71 1HB TYR 9 1HB TYR 9 6.460 -2.866 8.719 72 2HB TYR 9 2HB TYR 9 5.690 -4.157 9.624 73 HD1 TYR 9 HD1 TYR 9 4.163 -3.367 11.597 74 HD2 TYR 9 HD2 TYR 9 6.363 -0.552 9.140 75 HE1 TYR 9 HE1 TYR 9 2.646 -1.574 12.279 76 HE2 TYR 9 HE2 TYR 9 4.910 1.272 9.930 77 HH TYR 9 HH TYR 9 2.929 1.780 11.009 78 H THR 10 H THR 10 6.861 -5.763 11.617 79 HA THR 10 HA THR 10 9.498 -7.002 11.262 80 HB THR 10 HB THR 10 8.338 -8.915 12.342 81 HG1 THR 10 HG1 THR 10 6.209 -8.668 13.035 82 1HG2 THR 10 1HG2 THR 10 7.673 -6.330 13.848 83 2HG2 THR 10 2HG2 THR 10 7.971 -7.935 14.548 84 3HG2 THR 10 3HG2 THR 10 9.296 -7.057 13.769 85 H ASP 11 H ASP 11 9.723 -8.653 9.498 86 HA ASP 11 HA ASP 11 8.653 -8.818 7.160 87 1HB ASP 11 1HB ASP 11 9.294 -11.215 8.868 88 2HB ASP 11 2HB ASP 11 9.127 -11.202 7.113 89 H GLU 12 H GLU 12 7.122 -10.455 9.951 90 HA GLU 12 HA GLU 12 4.907 -11.298 8.451 91 1HB GLU 12 1HB GLU 12 5.543 -11.022 11.394 92 2HB GLU 12 2HB GLU 12 3.886 -11.348 10.929 93 1HG GLU 12 1HG GLU 12 4.472 -13.397 9.796 94 2HG GLU 12 2HG GLU 12 6.199 -13.077 10.025 95 H GLU 13 H GLU 13 5.394 -8.300 10.297 96 HA GLU 13 HA GLU 13 2.650 -7.355 10.031 97 1HB GLU 13 1HB GLU 13 5.286 -6.146 10.833 98 2HB GLU 13 2HB GLU 13 3.969 -5.093 10.387 99 1HG GLU 13 1HG GLU 13 3.756 -7.232 12.538 100 2HG GLU 13 2HG GLU 13 4.271 -5.561 12.824 101 H LEU 14 H LEU 14 5.743 -6.972 8.277 102 HA LEU 14 HA LEU 14 5.035 -4.820 6.617 103 1HB LEU 14 1HB LEU 14 6.884 -7.192 6.029 104 2HB LEU 14 2HB LEU 14 6.545 -5.966 4.844 105 HG LEU 14 HG LEU 14 8.603 -5.400 5.521 106 1HD1 LEU 14 1HD1 LEU 14 8.005 -3.611 7.689 107 2HD1 LEU 14 2HD1 LEU 14 8.390 -3.229 6.016 108 3HD1 LEU 14 3HD1 LEU 14 6.701 -3.475 6.472 109 1HD2 LEU 14 1HD2 LEU 14 8.188 -5.777 8.327 110 2HD2 LEU 14 2HD2 LEU 14 9.033 -6.874 7.202 111 3HD2 LEU 14 3HD2 LEU 14 9.670 -5.281 7.514 112 H LYS 15 H LYS 15 4.674 -8.341 5.818 113 HA LYS 15 HA LYS 15 3.125 -7.871 3.494 114 1HB LYS 15 1HB LYS 15 2.188 -10.088 3.888 115 2HB LYS 15 2HB LYS 15 3.965 -10.008 3.784 116 1HG LYS 15 1HG LYS 15 3.962 -11.437 5.483 117 2HG LYS 15 2HG LYS 15 3.692 -10.012 6.463 118 1HD LYS 15 1HD LYS 15 2.186 -11.826 7.136 119 2HD LYS 15 2HD LYS 15 1.213 -10.559 6.430 120 1HE LYS 15 1HE LYS 15 0.332 -12.583 5.626 121 2HE LYS 15 2HE LYS 15 1.157 -11.830 4.261 122 1HZ LYS 15 1HZ LYS 15 2.159 -14.030 5.960 123 2HZ LYS 15 2HZ LYS 15 1.635 -14.191 4.447 124 3HZ LYS 15 3HZ LYS 15 3.013 -13.344 4.668 125 H ASN 16 H ASN 16 2.000 -8.470 6.871 126 HA ASN 16 HA ASN 16 -0.718 -8.400 6.106 127 1HB ASN 16 1HB ASN 16 0.112 -9.491 8.160 128 2HB ASN 16 2HB ASN 16 0.883 -7.995 8.694 129 1HD2 ASN 16 1HD2 ASN 16 -0.077 -7.319 10.605 130 2HD2 ASN 16 2HD2 ASN 16 -1.796 -7.453 10.869 131 H LEU 17 H LEU 17 1.407 -5.837 6.395 132 HA LEU 17 HA LEU 17 -0.720 -3.798 7.090 133 1HB LEU 17 1HB LEU 17 2.287 -3.886 7.109 134 2HB LEU 17 2HB LEU 17 1.550 -2.369 6.687 135 HG LEU 17 HG LEU 17 2.339 -2.779 9.066 136 1HD1 LEU 17 1HD1 LEU 17 -0.487 -1.767 8.703 137 2HD1 LEU 17 2HD1 LEU 17 0.648 -1.327 9.996 138 3HD1 LEU 17 3HD1 LEU 17 0.987 -0.849 8.328 139 1HD2 LEU 17 1HD2 LEU 17 -0.354 -4.146 9.391 140 2HD2 LEU 17 2HD2 LEU 17 1.217 -4.965 9.464 141 3HD2 LEU 17 3HD2 LEU 17 0.845 -3.711 10.650 142 H LEU 18 H LEU 18 1.809 -4.608 4.731 143 HA LEU 18 HA LEU 18 1.003 -2.485 2.941 144 1HB LEU 18 1HB LEU 18 2.835 -4.857 2.327 145 2HB LEU 18 2HB LEU 18 2.836 -3.326 1.514 146 HG LEU 18 HG LEU 18 4.420 -4.263 3.702 147 1HD1 LEU 18 1HD1 LEU 18 4.797 -1.610 2.464 148 2HD1 LEU 18 2HD1 LEU 18 5.941 -2.688 3.262 149 3HD1 LEU 18 3HD1 LEU 18 5.247 -3.166 1.711 150 1HD2 LEU 18 1HD2 LEU 18 3.309 -3.224 5.417 151 2HD2 LEU 18 2HD2 LEU 18 4.506 -2.026 5.029 152 3HD2 LEU 18 3HD2 LEU 18 2.823 -1.830 4.477 153 H GLU 19 H GLU 19 0.356 -5.928 3.209 154 HA GLU 19 HA GLU 19 -1.024 -6.215 0.711 155 1HB GLU 19 1HB GLU 19 -1.657 -8.291 1.482 156 2HB GLU 19 2HB GLU 19 -0.173 -8.001 2.376 157 1HG GLU 19 1HG GLU 19 -1.497 -7.310 4.334 158 2HG GLU 19 2HG GLU 19 -2.971 -7.764 3.480 159 H GLU 20 H GLU 20 -1.986 -4.750 3.825 160 HA GLU 20 HA GLU 20 -4.803 -4.778 3.324 161 1HB GLU 20 1HB GLU 20 -3.681 -4.476 5.578 162 2HB GLU 20 2HB GLU 20 -3.268 -2.835 5.079 163 1HG GLU 20 1HG GLU 20 -5.233 -2.614 6.348 164 2HG GLU 20 2HG GLU 20 -5.736 -2.379 4.667 165 H LYS 21 H LYS 21 -2.296 -2.172 3.003 166 HA LYS 21 HA LYS 21 -3.907 -0.299 1.701 167 1HB LYS 21 1HB LYS 21 -0.921 -0.912 1.415 168 2HB LYS 21 2HB LYS 21 -1.658 0.574 0.900 169 1HG LYS 21 1HG LYS 21 -1.352 -0.413 3.706 170 2HG LYS 21 2HG LYS 21 -0.557 0.974 2.979 171 1HD LYS 21 1HD LYS 21 -3.541 0.852 3.541 172 2HD LYS 21 2HD LYS 21 -2.322 1.459 4.647 173 1HE LYS 21 1HE LYS 21 -1.644 3.110 2.739 174 2HE LYS 21 2HE LYS 21 -3.205 2.691 2.018 175 1HZ LYS 21 1HZ LYS 21 -3.469 4.601 3.468 176 2HZ LYS 21 2HZ LYS 21 -4.163 3.328 4.280 177 3HZ LYS 21 3HZ LYS 21 -2.665 3.867 4.668 178 H LYS 22 H LYS 22 -1.648 -2.730 0.078 179 HA LYS 22 HA LYS 22 -2.497 -2.301 -2.469 180 1HB LYS 22 1HB LYS 22 -0.656 -3.769 -1.755 181 2HB LYS 22 2HB LYS 22 -1.824 -4.972 -1.162 182 1HG LYS 22 1HG LYS 22 -2.710 -5.171 -3.495 183 2HG LYS 22 2HG LYS 22 -1.453 -4.050 -4.046 184 1HD LYS 22 1HD LYS 22 0.287 -5.624 -3.559 185 2HD LYS 22 2HD LYS 22 -0.809 -6.645 -2.585 186 1HE LYS 22 1HE LYS 22 -2.185 -7.139 -4.544 187 2HE LYS 22 2HE LYS 22 -1.202 -6.079 -5.557 188 1HZ LYS 22 1HZ LYS 22 -0.689 -8.413 -5.786 189 2HZ LYS 22 2HZ LYS 22 0.630 -7.574 -5.329 190 3HZ LYS 22 3HZ LYS 22 -0.163 -8.527 -4.237 191 H ARG 23 H ARG 23 -4.324 -4.488 -0.151 192 HA ARG 23 HA ARG 23 -6.245 -5.095 -2.205 193 1HB ARG 23 1HB ARG 23 -7.731 -5.916 -0.530 194 2HB ARG 23 2HB ARG 23 -6.117 -6.575 -0.316 195 1HG ARG 23 1HG ARG 23 -5.797 -5.064 1.571 196 2HG ARG 23 2HG ARG 23 -7.435 -4.416 1.407 197 1HD ARG 23 1HD ARG 23 -6.688 -7.305 2.004 198 2HD ARG 23 2HD ARG 23 -7.200 -6.116 3.198 199 HE ARG 23 HE ARG 23 -9.232 -6.230 1.193 200 1HH1 ARG 23 2HH2 ARG 23 -7.894 -8.229 3.818 201 2HH1 ARG 23 1HH2 ARG 23 -9.322 -9.190 3.952 202 1HH2 ARG 23 2HH1 ARG 23 -10.998 -7.500 1.295 203 2HH2 ARG 23 1HH1 ARG 23 -11.018 -8.975 2.276 204 H GLN 24 H GLN 24 -6.372 -2.666 0.508 205 HA GLN 24 HA GLN 24 -8.878 -1.741 0.123 206 1HB GLN 24 1HB GLN 24 -6.295 -0.394 0.973 207 2HB GLN 24 2HB GLN 24 -7.723 0.543 0.677 208 1HG GLN 24 1HG GLN 24 -8.800 -1.396 2.310 209 2HG GLN 24 2HG GLN 24 -7.166 -1.272 2.942 210 1HE2 GLN 24 1HE2 GLN 24 -9.285 -0.612 4.584 211 2HE2 GLN 24 2HE2 GLN 24 -9.278 1.110 4.879 212 H LEU 25 H LEU 25 -5.989 -0.565 -1.735 213 HA LEU 25 HA LEU 25 -7.391 1.407 -3.232 214 1HB LEU 25 1HB LEU 25 -5.069 1.260 -3.322 215 2HB LEU 25 2HB LEU 25 -5.084 -0.417 -3.832 216 HG LEU 25 HG LEU 25 -4.327 1.326 -5.487 217 1HD1 LEU 25 1HD1 LEU 25 -5.139 0.316 -7.425 218 2HD1 LEU 25 2HD1 LEU 25 -5.162 -0.961 -6.204 219 3HD1 LEU 25 3HD1 LEU 25 -6.669 -0.147 -6.688 220 1HD2 LEU 25 1HD2 LEU 25 -6.068 2.622 -6.715 221 2HD2 LEU 25 2HD2 LEU 25 -7.250 2.095 -5.558 222 3HD2 LEU 25 3HD2 LEU 25 -5.907 3.106 -4.999 223 H MET 26 H MET 26 -7.017 -2.137 -4.009 224 HA MET 26 HA MET 26 -8.444 -1.975 -6.440 225 1HB MET 26 1HB MET 26 -6.756 -3.604 -6.141 226 2HB MET 26 2HB MET 26 -7.358 -4.047 -4.554 227 1HG MET 26 1HG MET 26 -7.805 -5.814 -5.963 228 2HG MET 26 2HG MET 26 -9.317 -5.053 -5.499 229 1HE MET 26 1HE MET 26 -10.347 -6.363 -8.985 230 2HE MET 26 2HE MET 26 -9.304 -7.187 -7.804 231 3HE MET 26 3HE MET 26 -10.713 -6.255 -7.247 232 H GLU 27 H GLU 27 -9.430 -2.244 -3.088 233 HA GLU 27 HA GLU 27 -12.088 -3.385 -3.768 234 1HB GLU 27 1HB GLU 27 -11.115 -2.389 -1.059 235 2HB GLU 27 2HB GLU 27 -12.463 -3.473 -1.388 236 1HG GLU 27 1HG GLU 27 -10.117 -4.709 -2.509 237 2HG GLU 27 2HG GLU 27 -9.667 -4.048 -0.936 238 H LEU 28 H LEU 28 -10.691 -0.319 -2.567 239 HA LEU 28 HA LEU 28 -13.134 1.112 -2.337 240 1HB LEU 28 1HB LEU 28 -10.271 1.918 -2.863 241 2HB LEU 28 2HB LEU 28 -11.538 3.075 -2.519 242 HG LEU 28 HG LEU 28 -10.577 0.899 -0.622 243 1HD1 LEU 28 1HD1 LEU 28 -9.322 2.601 0.474 244 2HD1 LEU 28 2HD1 LEU 28 -8.926 2.690 -1.230 245 3HD1 LEU 28 3HD1 LEU 28 -10.034 3.894 -0.543 246 1HD2 LEU 28 1HD2 LEU 28 -11.695 1.926 1.147 247 2HD2 LEU 28 2HD2 LEU 28 -12.373 3.217 0.081 248 3HD2 LEU 28 3HD2 LEU 28 -12.876 1.511 -0.095 249 H ARG 29 H ARG 29 -10.891 0.615 -5.058 250 HA ARG 29 HA ARG 29 -12.400 2.332 -6.854 251 1HB ARG 29 1HB ARG 29 -11.301 1.313 -8.740 252 2HB ARG 29 2HB ARG 29 -10.124 1.689 -7.472 253 1HG ARG 29 1HG ARG 29 -10.077 -0.641 -6.789 254 2HG ARG 29 2HG ARG 29 -11.310 -1.082 -7.963 255 1HD ARG 29 1HD ARG 29 -8.656 0.131 -8.805 256 2HD ARG 29 2HD ARG 29 -8.854 -1.603 -8.484 257 HE ARG 29 HE ARG 29 -10.920 -0.819 -10.239 258 1HH1 ARG 29 2HH2 ARG 29 -7.452 -1.587 -10.222 259 2HH1 ARG 29 1HH2 ARG 29 -7.357 -1.786 -11.946 260 1HH2 ARG 29 2HH1 ARG 29 -10.872 -1.460 -12.353 261 2HH2 ARG 29 1HH1 ARG 29 -9.403 -1.976 -13.151 262 H PHE 30 H PHE 30 -12.904 -1.000 -5.756 263 HA PHE 30 HA PHE 30 -14.983 -1.592 -7.668 264 1HB PHE 30 1HB PHE 30 -13.767 -3.405 -6.625 265 2HB PHE 30 2HB PHE 30 -14.127 -2.856 -5.048 266 HD1 PHE 30 HD1 PHE 30 -15.381 -4.821 -7.818 267 HD2 PHE 30 HD2 PHE 30 -16.387 -3.030 -4.022 268 HE1 PHE 30 HE1 PHE 30 -17.317 -6.378 -7.586 269 HE2 PHE 30 HE2 PHE 30 -18.296 -4.597 -3.795 270 HZ PHE 30 HZ PHE 30 -18.746 -6.273 -5.566 271 H GLN 31 H GLN 31 -14.952 0.349 -4.547 272 HA GLN 31 HA GLN 31 -17.805 0.064 -4.188 273 1HB GLN 31 1HB GLN 31 -15.686 1.884 -2.921 274 2HB GLN 31 2HB GLN 31 -17.380 1.819 -2.469 275 1HG GLN 31 1HG GLN 31 -17.061 -0.681 -2.028 276 2HG GLN 31 2HG GLN 31 -15.325 -0.381 -2.141 277 1HE2 GLN 31 1HE2 GLN 31 -16.861 -1.340 0.158 278 2HE2 GLN 31 2HE2 GLN 31 -16.706 -0.155 1.448 279 H LEU 32 H LEU 32 -15.349 2.288 -5.502 280 HA LEU 32 HA LEU 32 -17.084 4.445 -6.155 281 1HB LEU 32 1HB LEU 32 -14.620 4.537 -6.120 282 2HB LEU 32 2HB LEU 32 -14.493 3.419 -7.418 283 HG LEU 32 HG LEU 32 -14.071 5.647 -8.048 284 1HD1 LEU 32 1HD1 LEU 32 -15.115 4.179 -9.793 285 2HD1 LEU 32 2HD1 LEU 32 -16.599 5.144 -9.576 286 3HD1 LEU 32 3HD1 LEU 32 -15.107 5.922 -10.083 287 1HD2 LEU 32 1HD2 LEU 32 -15.880 7.430 -8.090 288 2HD2 LEU 32 2HD2 LEU 32 -16.937 6.323 -7.211 289 3HD2 LEU 32 3HD2 LEU 32 -15.449 6.893 -6.457 290 H ALA 33 H ALA 33 -15.900 1.806 -8.145 291 HA ALA 33 HA ALA 33 -17.560 2.216 -10.401 292 1HB ALA 33 1HB ALA 33 -16.377 -0.396 -9.352 293 2HB ALA 33 2HB ALA 33 -16.958 -0.080 -11.002 294 3HB ALA 33 3HB ALA 33 -15.538 0.782 -10.389 295 H MET 34 H MET 34 -18.423 0.730 -7.208 296 HA MET 34 HA MET 34 -20.906 -0.238 -8.269 297 1HB MET 34 1HB MET 34 -19.625 -0.044 -5.525 298 2HB MET 34 2HB MET 34 -21.328 -0.341 -5.698 299 1HG MET 34 1HG MET 34 -20.152 -2.188 -7.449 300 2HG MET 34 2HG MET 34 -19.092 -2.158 -6.034 301 1HE MET 34 1HE MET 34 -23.430 -3.615 -6.263 302 2HE MET 34 2HE MET 34 -23.095 -1.891 -6.523 303 3HE MET 34 3HE MET 34 -22.389 -3.114 -7.605 304 H GLY 35 H GLY 35 -19.649 2.805 -7.152 305 1HA GLY 35 1HA GLY 35 -20.683 4.853 -7.366 306 2HA GLY 35 2HA GLY 35 -22.282 4.086 -7.328 307 H GLN 36 H GLN 36 -19.492 3.593 -5.002 308 HA GLN 36 HA GLN 36 -21.339 4.606 -2.883 309 1HB GLN 36 1HB GLN 36 -19.445 2.329 -2.468 310 2HB GLN 36 2HB GLN 36 -20.891 2.772 -1.557 311 1HG GLN 36 1HG GLN 36 -22.247 2.192 -3.604 312 2HG GLN 36 2HG GLN 36 -20.750 1.640 -4.367 313 1HE2 GLN 36 1HE2 GLN 36 -23.387 0.296 -3.284 314 2HE2 GLN 36 2HE2 GLN 36 -22.796 -1.067 -2.362 315 H LEU 37 H LEU 37 -18.073 4.470 -4.062 316 HA LEU 37 HA LEU 37 -16.570 5.397 -1.867 317 1HB LEU 37 1HB LEU 37 -15.915 4.448 -4.087 318 2HB LEU 37 2HB LEU 37 -16.165 6.047 -4.733 319 HG LEU 37 HG LEU 37 -13.898 5.785 -4.446 320 1HD1 LEU 37 1HD1 LEU 37 -14.530 7.207 -1.849 321 2HD1 LEU 37 2HD1 LEU 37 -13.070 7.351 -2.826 322 3HD1 LEU 37 3HD1 LEU 37 -14.605 7.951 -3.477 323 1HD2 LEU 37 1HD2 LEU 37 -13.946 3.749 -3.189 324 2HD2 LEU 37 2HD2 LEU 37 -12.808 4.885 -2.419 325 3HD2 LEU 37 3HD2 LEU 37 -14.408 4.597 -1.710 326 H LYS 38 H LYS 38 -16.845 7.316 -0.705 327 HA LYS 38 HA LYS 38 -18.610 9.333 -1.465 328 1HB LYS 38 1HB LYS 38 -17.745 8.978 0.848 329 2HB LYS 38 2HB LYS 38 -16.223 9.748 0.365 330 1HG LYS 38 1HG LYS 38 -17.607 11.781 -0.358 331 2HG LYS 38 2HG LYS 38 -19.019 11.004 0.361 332 1HD LYS 38 1HD LYS 38 -16.455 11.709 1.839 333 2HD LYS 38 2HD LYS 38 -17.876 12.758 1.743 334 1HE LYS 38 1HE LYS 38 -19.259 11.008 2.837 335 2HE LYS 38 2HE LYS 38 -17.822 9.984 3.015 336 1HZ LYS 38 1HZ LYS 38 -18.368 11.354 4.993 337 2HZ LYS 38 2HZ LYS 38 -16.844 11.694 4.408 338 3HZ LYS 38 3HZ LYS 38 -18.099 12.703 4.143 339 H ASN 39 H ASN 39 -14.972 9.663 -1.689 340 HA ASN 39 HA ASN 39 -15.425 11.460 -4.006 341 1HB ASN 39 1HB ASN 39 -15.409 12.813 -1.864 342 2HB ASN 39 2HB ASN 39 -13.740 12.278 -1.595 343 1HD2 ASN 39 1HD2 ASN 39 -12.185 13.765 -2.522 344 2HD2 ASN 39 2HD2 ASN 39 -12.514 14.605 -4.033 345 H THR 40 H THR 40 -14.025 10.827 -5.629 346 HA THR 40 HA THR 40 -12.141 8.819 -5.151 347 HB THR 40 HB THR 40 -11.347 9.214 -7.479 348 HG1 THR 40 HG1 THR 40 -12.265 10.732 -8.693 349 1HG2 THR 40 1HG2 THR 40 -14.367 9.178 -7.242 350 2HG2 THR 40 2HG2 THR 40 -13.386 8.547 -8.575 351 3HG2 THR 40 3HG2 THR 40 -13.297 7.778 -6.982 352 H SER 41 H SER 41 -11.520 12.232 -4.576 353 HA SER 41 HA SER 41 -8.679 12.013 -4.975 354 1HB SER 41 1HB SER 41 -10.142 13.890 -3.105 355 2HB SER 41 2HB SER 41 -8.475 14.033 -3.692 356 HG SER 41 HG SER 41 -9.888 15.280 -4.997 357 H LEU 42 H LEU 42 -10.806 10.750 -2.430 358 HA LEU 42 HA LEU 42 -8.640 9.963 -0.632 359 1HB LEU 42 1HB LEU 42 -10.864 9.853 0.229 360 2HB LEU 42 2HB LEU 42 -11.420 8.851 -1.109 361 HG LEU 42 HG LEU 42 -10.106 6.960 -0.390 362 1HD1 LEU 42 1HD1 LEU 42 -8.774 6.878 1.631 363 2HD1 LEU 42 2HD1 LEU 42 -8.083 8.102 0.591 364 3HD1 LEU 42 3HD1 LEU 42 -9.077 8.597 1.982 365 1HD2 LEU 42 1HD2 LEU 42 -11.223 6.516 1.756 366 2HD2 LEU 42 2HD2 LEU 42 -11.545 8.251 1.955 367 3HD2 LEU 42 3HD2 LEU 42 -12.317 7.347 0.635 368 H ILE 43 H ILE 43 -10.351 8.224 -3.405 369 HA ILE 43 HA ILE 43 -8.645 6.003 -3.249 370 HB ILE 43 HB ILE 43 -10.527 7.001 -5.225 371 1HG1 ILE 43 1HG1 ILE 43 -10.736 4.944 -3.802 372 2HG1 ILE 43 2HG1 ILE 43 -11.115 4.738 -5.509 373 1HG2 ILE 43 1HG2 ILE 43 -8.719 7.270 -6.799 374 2HG2 ILE 43 2HG2 ILE 43 -8.010 5.703 -6.385 375 3HG2 ILE 43 3HG2 ILE 43 -9.582 5.786 -7.228 376 1HD1 ILE 43 1HD1 ILE 43 -8.897 3.677 -5.903 377 2HD1 ILE 43 2HD1 ILE 43 -8.518 3.852 -4.169 378 3HD1 ILE 43 3HD1 ILE 43 -9.837 2.811 -4.731 379 H LYS 44 H LYS 44 -7.997 9.099 -4.998 380 HA LYS 44 HA LYS 44 -5.542 8.346 -6.154 381 1HB LYS 44 1HB LYS 44 -6.611 10.363 -6.801 382 2HB LYS 44 2HB LYS 44 -6.703 10.985 -5.158 383 1HG LYS 44 1HG LYS 44 -4.049 10.400 -6.444 384 2HG LYS 44 2HG LYS 44 -4.880 11.883 -6.843 385 1HD LYS 44 1HD LYS 44 -4.100 12.908 -5.044 386 2HD LYS 44 2HD LYS 44 -4.912 11.782 -4.000 387 1HE LYS 44 1HE LYS 44 -2.761 11.479 -3.277 388 2HE LYS 44 2HE LYS 44 -2.806 10.223 -4.528 389 1HZ LYS 44 1HZ LYS 44 -1.778 12.925 -5.129 390 2HZ LYS 44 2HZ LYS 44 -0.810 11.638 -4.764 391 3HZ LYS 44 3HZ LYS 44 -1.753 11.578 -6.077 392 H LEU 45 H LEU 45 -6.221 9.572 -2.724 393 HA LEU 45 HA LEU 45 -3.568 9.947 -2.027 394 1HB LEU 45 1HB LEU 45 -5.403 11.267 -1.290 395 2HB LEU 45 2HB LEU 45 -6.313 9.858 -0.762 396 HG LEU 45 HG LEU 45 -4.870 9.345 0.925 397 1HD1 LEU 45 1HD1 LEU 45 -3.055 11.337 -0.374 398 2HD1 LEU 45 2HD1 LEU 45 -2.852 10.958 1.367 399 3HD1 LEU 45 3HD1 LEU 45 -2.688 9.692 0.157 400 1HD2 LEU 45 1HD2 LEU 45 -5.019 11.469 2.284 401 2HD2 LEU 45 2HD2 LEU 45 -5.238 12.355 0.759 402 3HD2 LEU 45 3HD2 LEU 45 -6.475 11.196 1.286 403 H THR 46 H THR 46 -6.084 7.300 -1.937 404 HA THR 46 HA THR 46 -4.522 5.648 -0.209 405 HB THR 46 HB THR 46 -6.635 4.801 -2.262 406 HG1 THR 46 HG1 THR 46 -6.956 5.964 0.293 407 1HG2 THR 46 1HG2 THR 46 -5.440 3.675 0.221 408 2HG2 THR 46 2HG2 THR 46 -7.179 3.512 0.062 409 3HG2 THR 46 3HG2 THR 46 -6.134 2.839 -1.216 410 H LYS 47 H LYS 47 -4.990 5.785 -3.747 411 HA LYS 47 HA LYS 47 -3.196 3.831 -4.577 412 1HB LYS 47 1HB LYS 47 -4.896 5.143 -5.954 413 2HB LYS 47 2HB LYS 47 -3.894 6.564 -5.811 414 1HG LYS 47 1HG LYS 47 -3.473 5.837 -7.915 415 2HG LYS 47 2HG LYS 47 -2.046 5.323 -7.015 416 1HD LYS 47 1HD LYS 47 -3.227 3.059 -6.664 417 2HD LYS 47 2HD LYS 47 -4.520 3.659 -7.723 418 1HE LYS 47 1HE LYS 47 -1.608 3.401 -8.627 419 2HE LYS 47 2HE LYS 47 -2.815 2.115 -8.801 420 1HZ LYS 47 1HZ LYS 47 -4.179 3.670 -10.083 421 2HZ LYS 47 2HZ LYS 47 -2.962 4.774 -10.070 422 3HZ LYS 47 3HZ LYS 47 -2.765 3.291 -10.796 423 H ARG 48 H ARG 48 -2.381 7.275 -3.825 424 HA ARG 48 HA ARG 48 0.301 7.076 -4.727 425 1HB ARG 48 1HB ARG 48 0.606 9.161 -3.925 426 2HB ARG 48 2HB ARG 48 -1.150 9.089 -3.818 427 1HG ARG 48 1HG ARG 48 -0.866 8.524 -1.354 428 2HG ARG 48 2HG ARG 48 0.837 8.865 -1.528 429 1HD ARG 48 1HD ARG 48 -1.391 10.856 -2.124 430 2HD ARG 48 2HD ARG 48 -0.632 10.662 -0.557 431 HE ARG 48 HE ARG 48 1.077 11.276 -2.910 432 1HH1 ARG 48 2HH2 ARG 48 -0.477 12.690 0.024 433 2HH1 ARG 48 1HH2 ARG 48 0.752 13.861 0.203 434 1HH2 ARG 48 2HH1 ARG 48 2.722 12.942 -2.526 435 2HH2 ARG 48 1HH1 ARG 48 2.679 13.779 -1.020 436 H ASP 49 H ASP 49 -1.123 6.440 -1.482 437 HA ASP 49 HA ASP 49 1.351 5.578 -0.309 438 1HB ASP 49 1HB ASP 49 -1.593 5.576 0.362 439 2HB ASP 49 2HB ASP 49 -0.594 4.445 1.220 440 H ILE 50 H ILE 50 -1.340 3.905 -1.956 441 HA ILE 50 HA ILE 50 -0.376 1.330 -1.237 442 HB ILE 50 HB ILE 50 -2.247 2.277 -3.405 443 1HG1 ILE 50 1HG1 ILE 50 -3.398 0.139 -2.426 444 2HG1 ILE 50 2HG1 ILE 50 -2.105 0.146 -1.250 445 1HG2 ILE 50 1HG2 ILE 50 -0.928 0.789 -4.848 446 2HG2 ILE 50 2HG2 ILE 50 -0.979 -0.491 -3.611 447 3HG2 ILE 50 3HG2 ILE 50 -2.456 0.026 -4.450 448 1HD1 ILE 50 1HD1 ILE 50 -4.195 1.309 -0.479 449 2HD1 ILE 50 2HD1 ILE 50 -2.792 2.370 -0.476 450 3HD1 ILE 50 3HD1 ILE 50 -3.957 2.463 -1.848 451 H ALA 51 H ALA 51 0.284 3.272 -4.175 452 HA ALA 51 HA ALA 51 2.029 1.267 -5.165 453 1HB ALA 51 1HB ALA 51 0.810 2.987 -6.487 454 2HB ALA 51 2HB ALA 51 1.849 4.248 -5.804 455 3HB ALA 51 3HB ALA 51 2.562 2.972 -6.836 456 H ARG 52 H ARG 52 2.512 3.473 -2.593 457 HA ARG 52 HA ARG 52 5.450 3.503 -2.759 458 1HB ARG 52 1HB ARG 52 4.053 5.484 -2.044 459 2HB ARG 52 2HB ARG 52 3.584 4.607 -0.604 460 1HG ARG 52 1HG ARG 52 6.488 5.157 -1.294 461 2HG ARG 52 2HG ARG 52 5.459 6.355 -0.506 462 1HD ARG 52 1HD ARG 52 4.988 4.697 1.327 463 2HD ARG 52 2HD ARG 52 6.190 3.628 0.590 464 HE ARG 52 HE ARG 52 7.921 5.154 1.061 465 1HH1 ARG 52 2HH2 ARG 52 4.807 6.327 2.556 466 2HH1 ARG 52 1HH2 ARG 52 5.643 7.417 3.558 467 1HH2 ARG 52 2HH1 ARG 52 8.922 6.637 2.601 468 2HH2 ARG 52 1HH1 ARG 52 7.919 7.367 3.788 469 H ILE 53 H ILE 53 2.936 2.422 -0.421 470 HA ILE 53 HA ILE 53 4.548 0.675 1.123 471 HB ILE 53 HB ILE 53 1.579 1.108 0.630 472 1HG1 ILE 53 1HG1 ILE 53 2.109 1.469 3.331 473 2HG1 ILE 53 2HG1 ILE 53 3.631 1.986 2.641 474 1HG2 ILE 53 1HG2 ILE 53 2.791 -0.897 2.506 475 2HG2 ILE 53 2HG2 ILE 53 1.125 -0.366 2.549 476 3HG2 ILE 53 3HG2 ILE 53 1.705 -1.232 1.127 477 1HD1 ILE 53 1HD1 ILE 53 0.928 3.028 1.786 478 2HD1 ILE 53 2HD1 ILE 53 1.903 3.778 3.070 479 3HD1 ILE 53 3HD1 ILE 53 2.526 3.743 1.410 480 H LYS 54 H LYS 54 2.374 -0.219 -1.610 481 HA LYS 54 HA LYS 54 3.139 -2.924 -1.319 482 1HB LYS 54 1HB LYS 54 1.916 -3.360 -3.322 483 2HB LYS 54 2HB LYS 54 1.060 -2.065 -2.543 484 1HG LYS 54 1HG LYS 54 1.196 -1.297 -4.756 485 2HG LYS 54 2HG LYS 54 2.695 -0.572 -4.137 486 1HD LYS 54 1HD LYS 54 4.026 -2.375 -5.087 487 2HD LYS 54 2HD LYS 54 2.571 -3.183 -5.678 488 1HE LYS 54 1HE LYS 54 2.165 -1.550 -7.294 489 2HE LYS 54 2HE LYS 54 2.982 -0.278 -6.392 490 1HZ LYS 54 1HZ LYS 54 4.102 -0.971 -8.401 491 2HZ LYS 54 2HZ LYS 54 5.085 -1.140 -7.087 492 3HZ LYS 54 3HZ LYS 54 4.396 -2.462 -7.803 493 H THR 55 H THR 55 4.746 -0.256 -2.914 494 HA THR 55 HA THR 55 6.674 -1.895 -4.296 495 HB THR 55 HB THR 55 6.495 1.016 -3.565 496 HG1 THR 55 HG1 THR 55 5.555 1.067 -5.343 497 1HG2 THR 55 1HG2 THR 55 8.884 0.551 -3.534 498 2HG2 THR 55 2HG2 THR 55 8.774 -0.340 -5.063 499 3HG2 THR 55 3HG2 THR 55 8.474 1.415 -5.007 500 H ILE 56 H ILE 56 6.590 -0.385 -0.955 501 HA ILE 56 HA ILE 56 9.222 -1.044 -0.228 502 HB ILE 56 HB ILE 56 6.685 -0.943 1.357 503 1HG1 ILE 56 1HG1 ILE 56 8.003 1.099 0.355 504 2HG1 ILE 56 2HG1 ILE 56 7.226 1.138 1.907 505 1HG2 ILE 56 1HG2 ILE 56 7.851 -1.142 3.464 506 2HG2 ILE 56 2HG2 ILE 56 8.083 -2.632 2.533 507 3HG2 ILE 56 3HG2 ILE 56 9.377 -1.460 2.641 508 1HD1 ILE 56 1HD1 ILE 56 9.501 2.163 1.833 509 2HD1 ILE 56 2HD1 ILE 56 9.315 0.929 3.106 510 3HD1 ILE 56 3HD1 ILE 56 10.177 0.538 1.587 511 H LEU 57 H LEU 57 6.304 -3.097 -0.130 512 HA LEU 57 HA LEU 57 7.560 -5.499 0.793 513 1HB LEU 57 1HB LEU 57 5.213 -5.366 0.841 514 2HB LEU 57 2HB LEU 57 5.087 -4.937 -0.856 515 HG LEU 57 HG LEU 57 5.637 -7.141 -1.584 516 1HD1 LEU 57 1HD1 LEU 57 6.037 -8.995 0.069 517 2HD1 LEU 57 2HD1 LEU 57 7.334 -7.828 -0.093 518 3HD1 LEU 57 3HD1 LEU 57 6.264 -7.745 1.327 519 1HD2 LEU 57 1HD2 LEU 57 3.703 -7.270 0.785 520 2HD2 LEU 57 2HD2 LEU 57 3.308 -6.778 -0.886 521 3HD2 LEU 57 3HD2 LEU 57 3.791 -8.440 -0.541 522 H ARG 58 H ARG 58 6.943 -4.436 -2.468 523 HA ARG 58 HA ARG 58 8.250 -6.423 -3.968 524 1HB ARG 58 1HB ARG 58 7.065 -4.065 -4.627 525 2HB ARG 58 2HB ARG 58 8.718 -3.624 -4.895 526 1HG ARG 58 1HG ARG 58 7.123 -5.813 -6.277 527 2HG ARG 58 2HG ARG 58 7.893 -4.387 -6.988 528 1HD ARG 58 1HD ARG 58 10.136 -5.444 -6.187 529 2HD ARG 58 2HD ARG 58 9.234 -6.912 -5.930 530 HE ARG 58 HE ARG 58 10.164 -5.867 -8.446 531 1HH1 ARG 58 2HH2 ARG 58 7.731 -8.024 -6.917 532 2HH1 ARG 58 1HH2 ARG 58 7.424 -8.839 -8.419 533 1HH2 ARG 58 2HH1 ARG 58 9.806 -7.093 -10.328 534 2HH2 ARG 58 1HH1 ARG 58 8.681 -8.397 -10.328 535 H GLU 59 H GLU 59 9.676 -3.504 -2.600 536 HA GLU 59 HA GLU 59 12.368 -3.959 -3.470 537 1HB GLU 59 1HB GLU 59 11.485 -2.408 -1.008 538 2HB GLU 59 2HB GLU 59 12.987 -2.203 -1.874 539 1HG GLU 59 1HG GLU 59 10.838 -1.857 -3.731 540 2HG GLU 59 2HG GLU 59 10.498 -0.891 -2.265 541 H ARG 60 H ARG 60 10.608 -5.515 -1.003 542 HA ARG 60 HA ARG 60 13.076 -6.568 0.304 543 1HB ARG 60 1HB ARG 60 10.141 -6.980 1.068 544 2HB ARG 60 2HB ARG 60 11.531 -7.627 1.913 545 1HG ARG 60 1HG ARG 60 12.201 -5.038 2.081 546 2HG ARG 60 2HG ARG 60 10.470 -4.833 1.788 547 1HD ARG 60 1HD ARG 60 10.497 -4.916 4.099 548 2HD ARG 60 2HD ARG 60 10.178 -6.605 3.710 549 HE ARG 60 HE ARG 60 12.991 -5.736 4.013 550 1HH1 ARG 60 2HH2 ARG 60 10.426 -7.787 5.426 551 2HH1 ARG 60 1HH2 ARG 60 11.401 -8.164 6.816 552 1HH2 ARG 60 2HH1 ARG 60 14.271 -6.477 5.582 553 2HH2 ARG 60 1HH1 ARG 60 13.702 -7.631 6.748 554 H GLU 61 H GLU 61 10.805 -7.347 -2.154 555 HA GLU 61 HA GLU 61 10.887 -10.234 -1.919 556 1HB GLU 61 1HB GLU 61 10.270 -8.482 -4.339 557 2HB GLU 61 2HB GLU 61 10.132 -10.224 -4.281 558 1HG GLU 61 1HG GLU 61 8.387 -9.886 -2.433 559 2HG GLU 61 2HG GLU 61 8.479 -8.163 -2.829 560 H LEU 62 H LEU 62 12.454 -7.983 -4.420 561 HA LEU 62 HA LEU 62 14.638 -9.850 -4.663 562 1HB LEU 62 1HB LEU 62 15.070 -7.227 -5.806 563 2HB LEU 62 2HB LEU 62 15.154 -8.815 -6.536 564 HG LEU 62 HG LEU 62 13.651 -7.780 -7.830 565 1HD1 LEU 62 1HD1 LEU 62 11.662 -8.808 -7.826 566 2HD1 LEU 62 2HD1 LEU 62 12.494 -9.777 -6.580 567 3HD1 LEU 62 3HD1 LEU 62 11.367 -8.490 -6.117 568 1HD2 LEU 62 1HD2 LEU 62 11.932 -6.165 -7.123 569 2HD2 LEU 62 2HD2 LEU 62 12.647 -6.220 -5.483 570 3HD2 LEU 62 3HD2 LEU 62 13.592 -5.691 -6.899 571 H GLY 63 H GLY 63 16.913 -8.761 -4.366 572 1HA GLY 63 1HA GLY 63 17.128 -7.976 -1.649 573 2HA GLY 63 2HA GLY 63 18.438 -8.130 -2.831 574 H ILE 64 H ILE 64 15.752 -5.814 -3.367 575 HA ILE 64 HA ILE 64 17.579 -3.685 -3.820 576 HB ILE 64 HB ILE 64 14.560 -3.925 -3.541 577 1HG1 ILE 64 1HG1 ILE 64 15.723 -5.104 -5.493 578 2HG1 ILE 64 2HG1 ILE 64 14.403 -4.012 -5.847 579 1HG2 ILE 64 1HG2 ILE 64 14.458 -1.751 -4.758 580 2HG2 ILE 64 2HG2 ILE 64 14.965 -1.664 -3.059 581 3HG2 ILE 64 3HG2 ILE 64 16.173 -1.521 -4.351 582 1HD1 ILE 64 1HD1 ILE 64 16.430 -3.890 -7.373 583 2HD1 ILE 64 2HD1 ILE 64 15.845 -2.346 -6.729 584 3HD1 ILE 64 3HD1 ILE 64 17.280 -3.110 -6.023 585 H ARG 65 H ARG 65 15.858 -4.824 -1.059 586 HA ARG 65 HA ARG 65 17.294 -2.823 0.634 587 1HB ARG 65 1HB ARG 65 14.406 -3.781 0.939 588 2HB ARG 65 2HB ARG 65 15.238 -2.801 2.123 589 1HG ARG 65 1HG ARG 65 14.967 -1.683 -0.680 590 2HG ARG 65 2HG ARG 65 13.585 -1.739 0.377 591 1HD ARG 65 1HD ARG 65 14.453 0.367 0.734 592 2HD ARG 65 2HD ARG 65 14.936 -0.570 2.158 593 HE ARG 65 HE ARG 65 16.939 -0.516 0.044 594 1HH1 ARG 65 2HH2 ARG 65 15.677 1.251 2.854 595 2HH1 ARG 65 1HH2 ARG 65 17.184 2.067 3.177 596 1HH2 ARG 65 2HH1 ARG 65 18.758 0.803 0.277 597 2HH2 ARG 65 1HH1 ARG 65 18.858 2.030 1.525 598 H ARG 66 H ARG 66 17.696 -5.705 -0.097 599 HA ARG 66 HA ARG 66 17.994 -7.794 0.701 600 1HB ARG 66 1HB ARG 66 19.005 -6.084 3.002 601 2HB ARG 66 2HB ARG 66 19.225 -7.820 2.867 602 1HG ARG 66 1HG ARG 66 20.575 -7.728 0.980 603 2HG ARG 66 2HG ARG 66 20.193 -6.034 0.673 604 1HD ARG 66 1HD ARG 66 21.280 -5.379 2.793 605 2HD ARG 66 2HD ARG 66 21.576 -7.070 3.185 606 HE ARG 66 HE ARG 66 23.135 -7.257 1.388 607 1HH1 ARG 66 2HH2 ARG 66 22.124 -3.912 1.821 608 2HH1 ARG 66 1HH2 ARG 66 23.692 -3.235 1.441 609 1HH2 ARG 66 2HH1 ARG 66 24.986 -6.462 0.602 610 2HH2 ARG 66 1HH1 ARG 66 25.365 -4.765 0.558 Start of MODEL 13 1 1H MET 1 1H MET 1 12.008 12.911 0.818 2 HA MET 1 HA MET 1 11.349 11.514 2.782 3 1HB MET 1 1HB MET 1 10.399 10.787 -0.008 4 2HB MET 1 2HB MET 1 9.696 10.043 1.427 5 1HG MET 1 1HG MET 1 9.818 13.052 1.036 6 2HG MET 1 2HG MET 1 8.434 12.046 0.603 7 1HE MET 1 1HE MET 1 8.348 14.595 2.647 8 2HE MET 1 2HE MET 1 7.001 13.647 1.968 9 3HE MET 1 3HE MET 1 7.114 13.895 3.720 10 H LYS 2 H LYS 2 10.913 9.101 3.402 11 HA LYS 2 HA LYS 2 12.455 7.171 1.906 12 1HB LYS 2 1HB LYS 2 14.019 8.343 3.686 13 2HB LYS 2 2HB LYS 2 13.139 7.367 4.860 14 1HG LYS 2 1HG LYS 2 13.845 5.295 3.601 15 2HG LYS 2 2HG LYS 2 14.696 6.312 2.443 16 1HD LYS 2 1HD LYS 2 15.292 6.088 5.423 17 2HD LYS 2 2HD LYS 2 16.184 5.272 4.127 18 1HE LYS 2 1HE LYS 2 16.830 7.446 3.159 19 2HE LYS 2 2HE LYS 2 15.910 8.294 4.413 20 1HZ LYS 2 1HZ LYS 2 17.401 7.302 6.062 21 2HZ LYS 2 2HZ LYS 2 18.313 6.649 4.820 22 3HZ LYS 2 3HZ LYS 2 18.193 8.253 4.937 23 H ALA 3 H ALA 3 12.210 5.038 3.038 24 HA ALA 3 HA ALA 3 9.532 4.415 3.904 25 1HB ALA 3 1HB ALA 3 10.082 2.168 3.479 26 2HB ALA 3 2HB ALA 3 10.806 3.076 2.121 27 3HB ALA 3 3HB ALA 3 11.837 2.481 3.450 28 H SER 4 H SER 4 12.044 5.697 5.586 29 HA SER 4 HA SER 4 13.000 3.812 7.342 30 1HB SER 4 1HB SER 4 13.338 6.480 6.956 31 2HB SER 4 2HB SER 4 12.302 6.580 8.373 32 HG SER 4 HG SER 4 13.869 5.722 9.586 33 H GLU 5 H GLU 5 9.875 5.145 7.219 34 HA GLU 5 HA GLU 5 8.856 4.183 9.821 35 1HB GLU 5 1HB GLU 5 6.748 5.129 9.034 36 2HB GLU 5 2HB GLU 5 8.091 6.285 8.895 37 1HG GLU 5 1HG GLU 5 8.283 5.614 6.428 38 2HG GLU 5 2HG GLU 5 6.844 4.664 6.666 39 H LEU 6 H LEU 6 8.584 3.255 6.415 40 HA LEU 6 HA LEU 6 6.585 1.143 6.892 41 1HB LEU 6 1HB LEU 6 8.202 2.172 4.493 42 2HB LEU 6 2HB LEU 6 7.210 0.771 4.351 43 HG LEU 6 HG LEU 6 6.424 3.667 4.706 44 1HD1 LEU 6 1HD1 LEU 6 5.051 3.130 2.695 45 2HD1 LEU 6 2HD1 LEU 6 6.792 2.794 2.475 46 3HD1 LEU 6 3HD1 LEU 6 5.668 1.462 2.757 47 1HD2 LEU 6 1HD2 LEU 6 4.535 1.326 5.190 48 2HD2 LEU 6 2HD2 LEU 6 4.969 2.598 6.349 49 3HD2 LEU 6 3HD2 LEU 6 4.025 3.007 4.920 50 H ARG 7 H ARG 7 10.141 1.259 6.277 51 HA ARG 7 HA ARG 7 10.298 -1.623 5.943 52 1HB ARG 7 1HB ARG 7 11.930 0.218 5.214 53 2HB ARG 7 2HB ARG 7 12.407 0.373 6.894 54 1HG ARG 7 1HG ARG 7 12.456 -2.395 5.826 55 2HG ARG 7 2HG ARG 7 13.522 -1.255 4.991 56 1HD ARG 7 1HD ARG 7 14.635 -0.732 7.143 57 2HD ARG 7 2HD ARG 7 13.558 -1.836 7.979 58 HE ARG 7 HE ARG 7 14.685 -3.650 7.202 59 1HH1 ARG 7 2HH2 ARG 7 15.960 -0.820 5.622 60 2HH1 ARG 7 1HH2 ARG 7 17.236 -1.643 4.779 61 1HH2 ARG 7 2HH1 ARG 7 16.117 -4.857 5.845 62 2HH2 ARG 7 1HH1 ARG 7 17.266 -4.081 4.822 63 H ASN 8 H ASN 8 9.420 0.297 8.500 64 HA ASN 8 HA ASN 8 11.128 -0.836 10.558 65 1HB ASN 8 1HB ASN 8 10.164 1.653 10.098 66 2HB ASN 8 2HB ASN 8 8.879 1.087 11.148 67 1HD2 ASN 8 1HD2 ASN 8 9.241 1.349 13.295 68 2HD2 ASN 8 2HD2 ASN 8 10.804 1.691 14.017 69 H TYR 9 H TYR 9 8.173 -2.108 9.267 70 HA TYR 9 HA TYR 9 6.959 -2.633 11.732 71 1HB TYR 9 1HB TYR 9 6.203 -2.657 9.013 72 2HB TYR 9 2HB TYR 9 5.454 -3.899 10.023 73 HD1 TYR 9 HD1 TYR 9 5.935 -0.374 9.090 74 HD2 TYR 9 HD2 TYR 9 4.002 -2.940 11.988 75 HE1 TYR 9 HE1 TYR 9 4.419 1.452 9.694 76 HE2 TYR 9 HE2 TYR 9 2.462 -1.124 12.562 77 HH TYR 9 HH TYR 9 1.630 1.214 10.877 78 H THR 10 H THR 10 6.285 -5.359 11.880 79 HA THR 10 HA THR 10 8.897 -6.782 11.997 80 HB THR 10 HB THR 10 7.449 -8.571 13.013 81 HG1 THR 10 HG1 THR 10 5.339 -7.329 13.810 82 1HG2 THR 10 1HG2 THR 10 7.117 -7.517 15.200 83 2HG2 THR 10 2HG2 THR 10 8.653 -7.039 14.481 84 3HG2 THR 10 3HG2 THR 10 7.283 -5.900 14.480 85 H ASP 11 H ASP 11 9.163 -8.582 10.388 86 HA ASP 11 HA ASP 11 8.076 -8.393 7.898 87 1HB ASP 11 1HB ASP 11 9.179 -10.749 9.389 88 2HB ASP 11 2HB ASP 11 8.393 -10.981 7.849 89 H GLU 12 H GLU 12 6.466 -9.879 10.637 90 HA GLU 12 HA GLU 12 4.318 -11.057 9.160 91 1HB GLU 12 1HB GLU 12 5.187 -11.557 11.588 92 2HB GLU 12 2HB GLU 12 4.208 -10.183 12.064 93 1HG GLU 12 1HG GLU 12 2.667 -11.890 12.338 94 2HG GLU 12 2HG GLU 12 2.284 -11.442 10.677 95 H GLU 13 H GLU 13 4.691 -7.914 10.927 96 HA GLU 13 HA GLU 13 2.024 -6.916 10.300 97 1HB GLU 13 1HB GLU 13 4.649 -5.765 11.264 98 2HB GLU 13 2HB GLU 13 3.524 -4.649 10.554 99 1HG GLU 13 1HG GLU 13 2.917 -6.515 12.863 100 2HG GLU 13 2HG GLU 13 3.401 -4.846 13.008 101 H LEU 14 H LEU 14 5.227 -6.827 8.797 102 HA LEU 14 HA LEU 14 4.688 -4.788 6.915 103 1HB LEU 14 1HB LEU 14 6.633 -7.130 6.767 104 2HB LEU 14 2HB LEU 14 6.392 -6.072 5.433 105 HG LEU 14 HG LEU 14 8.374 -5.383 6.307 106 1HD1 LEU 14 1HD1 LEU 14 7.508 -3.241 5.981 107 2HD1 LEU 14 2HD1 LEU 14 6.169 -3.451 7.116 108 3HD1 LEU 14 3HD1 LEU 14 7.753 -3.149 7.765 109 1HD2 LEU 14 1HD2 LEU 14 7.214 -5.250 9.001 110 2HD2 LEU 14 2HD2 LEU 14 8.387 -6.455 8.358 111 3HD2 LEU 14 3HD2 LEU 14 8.878 -4.795 8.541 112 H LYS 15 H LYS 15 4.375 -8.369 6.442 113 HA LYS 15 HA LYS 15 3.123 -7.958 3.874 114 1HB LYS 15 1HB LYS 15 2.159 -10.232 4.239 115 2HB LYS 15 2HB LYS 15 3.921 -10.146 4.314 116 1HG LYS 15 1HG LYS 15 3.587 -11.556 6.027 117 2HG LYS 15 2HG LYS 15 3.514 -10.052 6.932 118 1HD LYS 15 1HD LYS 15 1.108 -10.246 7.153 119 2HD LYS 15 2HD LYS 15 0.972 -11.395 5.828 120 1HE LYS 15 1HE LYS 15 2.574 -12.052 8.294 121 2HE LYS 15 2HE LYS 15 0.818 -12.093 8.391 122 1HZ LYS 15 1HZ LYS 15 0.714 -13.795 6.810 123 2HZ LYS 15 2HZ LYS 15 2.306 -13.620 6.346 124 3HZ LYS 15 3HZ LYS 15 1.944 -14.226 7.790 125 H ASN 16 H ASN 16 1.726 -8.125 7.198 126 HA ASN 16 HA ASN 16 -0.945 -8.210 6.198 127 1HB ASN 16 1HB ASN 16 0.433 -8.206 8.737 128 2HB ASN 16 2HB ASN 16 -0.739 -6.919 8.792 129 1HD2 ASN 16 1HD2 ASN 16 -1.917 -8.082 10.414 130 2HD2 ASN 16 2HD2 ASN 16 -2.803 -9.545 10.091 131 H LEU 17 H LEU 17 1.252 -5.752 6.265 132 HA LEU 17 HA LEU 17 -0.597 -3.410 6.485 133 1HB LEU 17 1HB LEU 17 1.506 -3.292 7.731 134 2HB LEU 17 2HB LEU 17 2.404 -3.847 6.369 135 HG LEU 17 HG LEU 17 1.480 -1.544 5.260 136 1HD1 LEU 17 1HD1 LEU 17 1.643 0.240 6.897 137 2HD1 LEU 17 2HD1 LEU 17 0.329 -0.866 7.349 138 3HD1 LEU 17 3HD1 LEU 17 1.881 -0.932 8.213 139 1HD2 LEU 17 1HD2 LEU 17 3.934 -1.868 7.018 140 2HD2 LEU 17 2HD2 LEU 17 3.813 -2.377 5.317 141 3HD2 LEU 17 3HD2 LEU 17 3.697 -0.653 5.743 142 H LEU 18 H LEU 18 1.950 -4.734 4.436 143 HA LEU 18 HA LEU 18 1.269 -2.938 2.249 144 1HB LEU 18 1HB LEU 18 2.767 -5.453 1.644 145 2HB LEU 18 2HB LEU 18 3.040 -3.921 0.966 146 HG LEU 18 HG LEU 18 3.828 -4.038 3.818 147 1HD1 LEU 18 1HD1 LEU 18 5.704 -5.478 3.551 148 2HD1 LEU 18 2HD1 LEU 18 4.303 -6.403 3.012 149 3HD1 LEU 18 3HD1 LEU 18 5.419 -5.705 1.828 150 1HD2 LEU 18 1HD2 LEU 18 4.755 -2.227 2.407 151 2HD2 LEU 18 2HD2 LEU 18 5.935 -3.196 3.226 152 3HD2 LEU 18 3HD2 LEU 18 5.637 -3.463 1.495 153 H GLU 19 H GLU 19 0.471 -6.299 3.027 154 HA GLU 19 HA GLU 19 -1.052 -6.786 0.656 155 1HB GLU 19 1HB GLU 19 -1.653 -8.771 1.560 156 2HB GLU 19 2HB GLU 19 -0.256 -8.452 2.518 157 1HG GLU 19 1HG GLU 19 -1.713 -9.213 4.113 158 2HG GLU 19 2HG GLU 19 -1.921 -7.470 4.296 159 H GLU 20 H GLU 20 -1.840 -5.133 3.729 160 HA GLU 20 HA GLU 20 -4.668 -5.067 3.378 161 1HB GLU 20 1HB GLU 20 -3.855 -4.724 5.556 162 2HB GLU 20 2HB GLU 20 -2.749 -3.447 5.072 163 1HG GLU 20 1HG GLU 20 -4.669 -1.954 4.577 164 2HG GLU 20 2HG GLU 20 -5.785 -3.241 5.018 165 H LYS 21 H LYS 21 -2.094 -2.673 2.829 166 HA LYS 21 HA LYS 21 -3.845 -0.758 1.674 167 1HB LYS 21 1HB LYS 21 -0.838 -1.174 1.486 168 2HB LYS 21 2HB LYS 21 -1.616 0.285 0.945 169 1HG LYS 21 1HG LYS 21 -1.830 -0.822 3.794 170 2HG LYS 21 2HG LYS 21 -0.668 0.366 3.280 171 1HD LYS 21 1HD LYS 21 -3.668 0.885 3.101 172 2HD LYS 21 2HD LYS 21 -2.752 1.112 4.575 173 1HE LYS 21 1HE LYS 21 -1.381 2.332 2.318 174 2HE LYS 21 2HE LYS 21 -3.030 2.958 2.457 175 1HZ LYS 21 1HZ LYS 21 -2.566 3.546 4.751 176 2HZ LYS 21 2HZ LYS 21 -1.087 2.929 4.685 177 3HZ LYS 21 3HZ LYS 21 -1.415 4.270 3.795 178 H LYS 22 H LYS 22 -1.613 -3.119 -0.027 179 HA LYS 22 HA LYS 22 -2.502 -2.757 -2.585 180 1HB LYS 22 1HB LYS 22 -0.749 -4.355 -1.853 181 2HB LYS 22 2HB LYS 22 -1.979 -5.440 -1.235 182 1HG LYS 22 1HG LYS 22 -2.630 -4.849 -4.006 183 2HG LYS 22 2HG LYS 22 -0.912 -5.173 -3.909 184 1HD LYS 22 1HD LYS 22 -1.996 -7.244 -4.376 185 2HD LYS 22 2HD LYS 22 -1.404 -7.312 -2.714 186 1HE LYS 22 1HE LYS 22 -3.708 -6.794 -1.885 187 2HE LYS 22 2HE LYS 22 -4.280 -6.661 -3.561 188 1HZ LYS 22 1HZ LYS 22 -4.823 -8.816 -2.728 189 2HZ LYS 22 2HZ LYS 22 -3.636 -9.035 -3.811 190 3HZ LYS 22 3HZ LYS 22 -3.294 -9.096 -2.207 191 H ARG 23 H ARG 23 -4.298 -4.891 -0.171 192 HA ARG 23 HA ARG 23 -6.346 -5.513 -2.125 193 1HB ARG 23 1HB ARG 23 -7.704 -6.367 -0.315 194 2HB ARG 23 2HB ARG 23 -6.058 -7.002 -0.231 195 1HG ARG 23 1HG ARG 23 -5.629 -5.253 1.473 196 2HG ARG 23 2HG ARG 23 -7.336 -4.878 1.596 197 1HD ARG 23 1HD ARG 23 -5.941 -7.589 2.065 198 2HD ARG 23 2HD ARG 23 -6.267 -6.414 3.331 199 HE ARG 23 HE ARG 23 -8.714 -7.229 2.013 200 1HH1 ARG 23 2HH2 ARG 23 -6.181 -8.355 4.300 201 2HH1 ARG 23 1HH2 ARG 23 -7.267 -9.257 5.272 202 1HH2 ARG 23 2HH1 ARG 23 -10.139 -8.511 3.253 203 2HH2 ARG 23 1HH1 ARG 23 -9.535 -9.430 4.592 204 H GLN 24 H GLN 24 -6.255 -3.105 0.598 205 HA GLN 24 HA GLN 24 -8.785 -2.136 0.376 206 1HB GLN 24 1HB GLN 24 -6.134 -0.866 1.091 207 2HB GLN 24 2HB GLN 24 -7.540 0.122 0.833 208 1HG GLN 24 1HG GLN 24 -8.697 -1.590 2.544 209 2HG GLN 24 2HG GLN 24 -7.042 -1.688 3.113 210 1HE2 GLN 24 1HE2 GLN 24 -9.255 -0.634 4.642 211 2HE2 GLN 24 2HE2 GLN 24 -8.895 1.038 4.959 212 H LEU 25 H LEU 25 -5.944 -1.026 -1.614 213 HA LEU 25 HA LEU 25 -7.368 0.960 -3.047 214 1HB LEU 25 1HB LEU 25 -5.025 0.760 -3.329 215 2HB LEU 25 2HB LEU 25 -5.175 -0.943 -3.775 216 HG LEU 25 HG LEU 25 -6.387 -0.095 -5.932 217 1HD1 LEU 25 1HD1 LEU 25 -5.242 2.588 -5.006 218 2HD1 LEU 25 2HD1 LEU 25 -6.209 2.248 -6.483 219 3HD1 LEU 25 3HD1 LEU 25 -6.931 2.137 -4.887 220 1HD2 LEU 25 1HD2 LEU 25 -3.528 0.801 -5.568 221 2HD2 LEU 25 2HD2 LEU 25 -4.069 -0.838 -5.997 222 3HD2 LEU 25 3HD2 LEU 25 -4.379 0.499 -7.109 223 H MET 26 H MET 26 -7.115 -2.548 -3.817 224 HA MET 26 HA MET 26 -8.738 -2.414 -6.175 225 1HB MET 26 1HB MET 26 -8.141 -4.762 -4.333 226 2HB MET 26 2HB MET 26 -8.902 -4.871 -5.930 227 1HG MET 26 1HG MET 26 -6.105 -3.854 -5.340 228 2HG MET 26 2HG MET 26 -6.533 -5.386 -6.086 229 1HE MET 26 1HE MET 26 -4.776 -3.252 -8.888 230 2HE MET 26 2HE MET 26 -4.469 -3.110 -7.144 231 3HE MET 26 3HE MET 26 -4.683 -4.713 -7.887 232 H GLU 27 H GLU 27 -9.570 -2.543 -2.798 233 HA GLU 27 HA GLU 27 -12.359 -3.491 -3.311 234 1HB GLU 27 1HB GLU 27 -10.892 -2.697 -0.776 235 2HB GLU 27 2HB GLU 27 -12.501 -3.401 -0.818 236 1HG GLU 27 1HG GLU 27 -10.084 -4.861 -1.966 237 2HG GLU 27 2HG GLU 27 -10.514 -4.867 -0.294 238 H LEU 28 H LEU 28 -10.617 -0.591 -2.383 239 HA LEU 28 HA LEU 28 -12.888 1.121 -2.053 240 1HB LEU 28 1HB LEU 28 -9.994 1.580 -2.807 241 2HB LEU 28 2HB LEU 28 -11.138 2.876 -2.491 242 HG LEU 28 HG LEU 28 -10.232 0.799 -0.468 243 1HD1 LEU 28 1HD1 LEU 28 -8.486 2.381 -1.230 244 2HD1 LEU 28 2HD1 LEU 28 -9.515 3.746 -0.724 245 3HD1 LEU 28 3HD1 LEU 28 -8.910 2.573 0.478 246 1HD2 LEU 28 1HD2 LEU 28 -12.487 1.645 0.045 247 2HD2 LEU 28 2HD2 LEU 28 -11.230 1.892 1.251 248 3HD2 LEU 28 3HD2 LEU 28 -11.774 3.272 0.230 249 H ARG 29 H ARG 29 -10.854 0.363 -4.881 250 HA ARG 29 HA ARG 29 -12.422 1.993 -6.647 251 1HB ARG 29 1HB ARG 29 -11.540 0.884 -8.576 252 2HB ARG 29 2HB ARG 29 -10.254 1.244 -7.423 253 1HG ARG 29 1HG ARG 29 -10.191 -1.028 -6.706 254 2HG ARG 29 2HG ARG 29 -11.559 -1.504 -7.712 255 1HD ARG 29 1HD ARG 29 -8.934 -0.429 -8.833 256 2HD ARG 29 2HD ARG 29 -9.236 -2.136 -8.531 257 HE ARG 29 HE ARG 29 -10.873 -2.250 -10.196 258 1HH1 ARG 29 2HH2 ARG 29 -9.381 0.982 -10.186 259 2HH1 ARG 29 1HH2 ARG 29 -9.854 1.360 -11.793 260 1HH2 ARG 29 2HH1 ARG 29 -11.496 -1.788 -12.266 261 2HH2 ARG 29 1HH1 ARG 29 -11.285 -0.218 -12.971 262 H PHE 30 H PHE 30 -13.094 -1.200 -5.364 263 HA PHE 30 HA PHE 30 -15.354 -1.823 -7.008 264 1HB PHE 30 1HB PHE 30 -14.238 -3.471 -5.681 265 2HB PHE 30 2HB PHE 30 -14.489 -2.599 -4.221 266 HD1 PHE 30 HD1 PHE 30 -15.432 -5.414 -5.816 267 HD2 PHE 30 HD2 PHE 30 -17.207 -2.120 -3.651 268 HE1 PHE 30 HE1 PHE 30 -17.364 -6.828 -5.232 269 HE2 PHE 30 HE2 PHE 30 -19.146 -3.517 -3.121 270 HZ PHE 30 HZ PHE 30 -19.261 -5.865 -3.910 271 H GLN 31 H GLN 31 -15.039 0.375 -4.027 272 HA GLN 31 HA GLN 31 -17.884 0.581 -3.711 273 1HB GLN 31 1HB GLN 31 -15.524 2.244 -2.680 274 2HB GLN 31 2HB GLN 31 -17.209 2.448 -2.200 275 1HG GLN 31 1HG GLN 31 -17.207 0.131 -1.297 276 2HG GLN 31 2HG GLN 31 -15.493 -0.002 -1.677 277 1HE2 GLN 31 1HE2 GLN 31 -16.413 -0.351 0.904 278 2HE2 GLN 31 2HE2 GLN 31 -15.964 1.011 1.937 279 H LEU 32 H LEU 32 -15.187 2.272 -5.219 280 HA LEU 32 HA LEU 32 -16.540 4.625 -6.059 281 1HB LEU 32 1HB LEU 32 -14.106 4.394 -6.091 282 2HB LEU 32 2HB LEU 32 -14.167 3.059 -7.134 283 HG LEU 32 HG LEU 32 -13.420 5.090 -8.153 284 1HD1 LEU 32 1HD1 LEU 32 -15.916 4.492 -9.691 285 2HD1 LEU 32 2HD1 LEU 32 -14.372 5.089 -10.255 286 3HD1 LEU 32 3HD1 LEU 32 -14.486 3.430 -9.647 287 1HD2 LEU 32 1HD2 LEU 32 -14.975 7.016 -8.608 288 2HD2 LEU 32 2HD2 LEU 32 -16.242 6.194 -7.699 289 3HD2 LEU 32 3HD2 LEU 32 -14.790 6.718 -6.864 290 H ALA 33 H ALA 33 -15.900 1.651 -7.860 291 HA ALA 33 HA ALA 33 -17.405 2.377 -10.144 292 1HB ALA 33 1HB ALA 33 -16.649 -0.395 -9.136 293 2HB ALA 33 2HB ALA 33 -17.108 0.064 -10.793 294 3HB ALA 33 3HB ALA 33 -15.605 0.681 -10.089 295 H MET 34 H MET 34 -18.480 0.666 -7.112 296 HA MET 34 HA MET 34 -21.094 0.183 -8.053 297 1HB MET 34 1HB MET 34 -19.754 0.467 -5.324 298 2HB MET 34 2HB MET 34 -21.489 0.328 -5.488 299 1HG MET 34 1HG MET 34 -20.911 -1.733 -7.014 300 2HG MET 34 2HG MET 34 -19.396 -1.739 -6.123 301 1HE MET 34 1HE MET 34 -20.589 -4.336 -5.801 302 2HE MET 34 2HE MET 34 -21.993 -4.577 -4.735 303 3HE MET 34 3HE MET 34 -22.204 -3.800 -6.317 304 H GLY 35 H GLY 35 -19.504 2.926 -6.457 305 1HA GLY 35 1HA GLY 35 -20.074 5.117 -7.226 306 2HA GLY 35 2HA GLY 35 -21.793 4.703 -7.191 307 H GLN 36 H GLN 36 -19.189 4.070 -4.699 308 HA GLN 36 HA GLN 36 -20.717 5.890 -2.867 309 1HB GLN 36 1HB GLN 36 -19.150 3.546 -1.806 310 2HB GLN 36 2HB GLN 36 -20.545 4.401 -1.128 311 1HG GLN 36 1HG GLN 36 -21.880 3.460 -3.091 312 2HG GLN 36 2HG GLN 36 -20.467 2.451 -3.455 313 1HE2 GLN 36 1HE2 GLN 36 -22.441 0.918 -3.213 314 2HE2 GLN 36 2HE2 GLN 36 -22.536 0.069 -1.688 315 H LEU 37 H LEU 37 -17.514 4.954 -4.092 316 HA LEU 37 HA LEU 37 -16.042 6.441 -2.155 317 1HB LEU 37 1HB LEU 37 -15.436 4.511 -3.774 318 2HB LEU 37 2HB LEU 37 -15.182 5.802 -4.918 319 HG LEU 37 HG LEU 37 -13.159 5.596 -4.246 320 1HD1 LEU 37 1HD1 LEU 37 -12.314 7.131 -2.529 321 2HD1 LEU 37 2HD1 LEU 37 -13.622 7.916 -3.428 322 3HD1 LEU 37 3HD1 LEU 37 -13.916 7.265 -1.805 323 1HD2 LEU 37 1HD2 LEU 37 -14.133 4.589 -1.573 324 2HD2 LEU 37 2HD2 LEU 37 -13.510 3.680 -2.960 325 3HD2 LEU 37 3HD2 LEU 37 -12.414 4.717 -2.011 326 H LYS 38 H LYS 38 -16.934 8.493 -2.000 327 HA LYS 38 HA LYS 38 -17.528 10.468 -3.731 328 1HB LYS 38 1HB LYS 38 -15.882 10.515 -1.180 329 2HB LYS 38 2HB LYS 38 -16.280 12.006 -2.041 330 1HG LYS 38 1HG LYS 38 -18.629 11.651 -1.817 331 2HG LYS 38 2HG LYS 38 -18.421 10.030 -1.156 332 1HD LYS 38 1HD LYS 38 -17.688 10.774 0.907 333 2HD LYS 38 2HD LYS 38 -17.112 12.319 0.301 334 1HE LYS 38 1HE LYS 38 -20.070 11.617 0.375 335 2HE LYS 38 2HE LYS 38 -19.231 12.316 1.763 336 1HZ LYS 38 1HZ LYS 38 -20.265 14.014 0.439 337 2HZ LYS 38 2HZ LYS 38 -18.666 14.225 0.448 338 3HZ LYS 38 3HZ LYS 38 -19.422 13.579 -0.896 339 H ASN 39 H ASN 39 -16.607 10.768 -5.652 340 HA ASN 39 HA ASN 39 -15.150 11.212 -7.316 341 1HB ASN 39 1HB ASN 39 -15.720 13.357 -6.116 342 2HB ASN 39 2HB ASN 39 -14.118 13.237 -5.337 343 1HD2 ASN 39 1HD2 ASN 39 -12.738 14.705 -6.340 344 2HD2 ASN 39 2HD2 ASN 39 -12.632 14.896 -8.088 345 H THR 40 H THR 40 -14.011 9.095 -5.684 346 HA THR 40 HA THR 40 -12.136 8.024 -5.134 347 HB THR 40 HB THR 40 -10.167 8.200 -6.736 348 HG1 THR 40 HG1 THR 40 -11.571 9.059 -8.820 349 1HG2 THR 40 1HG2 THR 40 -12.808 7.474 -7.981 350 2HG2 THR 40 2HG2 THR 40 -11.201 6.793 -8.313 351 3HG2 THR 40 3HG2 THR 40 -11.979 6.467 -6.760 352 H SER 41 H SER 41 -12.459 10.836 -3.945 353 HA SER 41 HA SER 41 -9.971 12.042 -3.608 354 1HB SER 41 1HB SER 41 -12.399 11.746 -1.767 355 2HB SER 41 2HB SER 41 -11.092 12.919 -1.516 356 HG SER 41 HG SER 41 -11.809 14.088 -3.100 357 H LEU 42 H LEU 42 -11.439 9.364 -1.670 358 HA LEU 42 HA LEU 42 -9.023 9.143 -0.093 359 1HB LEU 42 1HB LEU 42 -11.665 8.121 0.071 360 2HB LEU 42 2HB LEU 42 -10.700 6.702 -0.269 361 HG LEU 42 HG LEU 42 -11.044 7.068 2.088 362 1HD1 LEU 42 1HD1 LEU 42 -8.983 5.910 1.425 363 2HD1 LEU 42 2HD1 LEU 42 -8.109 7.448 1.319 364 3HD1 LEU 42 3HD1 LEU 42 -8.697 6.875 2.882 365 1HD2 LEU 42 1HD2 LEU 42 -11.157 9.562 2.090 366 2HD2 LEU 42 2HD2 LEU 42 -10.148 8.886 3.373 367 3HD2 LEU 42 3HD2 LEU 42 -9.385 9.621 1.963 368 H ILE 43 H ILE 43 -10.332 7.349 -2.924 369 HA ILE 43 HA ILE 43 -8.371 5.388 -3.134 370 HB ILE 43 HB ILE 43 -10.212 6.704 -5.038 371 1HG1 ILE 43 1HG1 ILE 43 -10.731 4.601 -3.849 372 2HG1 ILE 43 2HG1 ILE 43 -10.904 4.477 -5.594 373 1HG2 ILE 43 1HG2 ILE 43 -7.729 5.335 -6.154 374 2HG2 ILE 43 2HG2 ILE 43 -9.232 5.586 -7.070 375 3HG2 ILE 43 3HG2 ILE 43 -8.307 6.970 -6.485 376 1HD1 ILE 43 1HD1 ILE 43 -8.592 3.364 -3.968 377 2HD1 ILE 43 2HD1 ILE 43 -9.854 2.463 -4.810 378 3HD1 ILE 43 3HD1 ILE 43 -8.690 3.344 -5.753 379 H LYS 44 H LYS 44 -8.090 8.787 -4.346 380 HA LYS 44 HA LYS 44 -5.546 8.540 -5.458 381 1HB LYS 44 1HB LYS 44 -6.808 10.501 -5.869 382 2HB LYS 44 2HB LYS 44 -7.152 10.779 -4.165 383 1HG LYS 44 1HG LYS 44 -5.569 12.437 -5.128 384 2HG LYS 44 2HG LYS 44 -4.957 11.591 -3.727 385 1HD LYS 44 1HD LYS 44 -4.146 10.060 -6.028 386 2HD LYS 44 2HD LYS 44 -3.882 11.738 -6.442 387 1HE LYS 44 1HE LYS 44 -3.032 10.891 -3.656 388 2HE LYS 44 2HE LYS 44 -2.154 10.162 -5.007 389 1HZ LYS 44 1HZ LYS 44 -1.021 12.151 -4.514 390 2HZ LYS 44 2HZ LYS 44 -1.817 12.484 -5.904 391 3HZ LYS 44 3HZ LYS 44 -2.375 13.058 -4.466 392 H LEU 45 H LEU 45 -6.438 9.242 -2.016 393 HA LEU 45 HA LEU 45 -3.749 9.794 -1.148 394 1HB LEU 45 1HB LEU 45 -6.478 9.435 0.074 395 2HB LEU 45 2HB LEU 45 -4.952 9.519 0.944 396 HG LEU 45 HG LEU 45 -5.915 11.742 -0.816 397 1HD1 LEU 45 1HD1 LEU 45 -6.271 12.827 1.383 398 2HD1 LEU 45 2HD1 LEU 45 -7.257 11.351 1.179 399 3HD1 LEU 45 3HD1 LEU 45 -5.766 11.303 2.160 400 1HD2 LEU 45 1HD2 LEU 45 -4.076 12.995 0.510 401 2HD2 LEU 45 2HD2 LEU 45 -3.529 11.422 1.089 402 3HD2 LEU 45 3HD2 LEU 45 -3.445 11.798 -0.636 403 H THR 46 H THR 46 -5.734 6.931 -1.722 404 HA THR 46 HA THR 46 -4.135 5.283 0.078 405 HB THR 46 HB THR 46 -6.493 4.689 -1.775 406 HG1 THR 46 HG1 THR 46 -6.256 5.271 0.995 407 1HG2 THR 46 1HG2 THR 46 -5.784 2.555 -1.282 408 2HG2 THR 46 2HG2 THR 46 -4.987 3.073 0.255 409 3HG2 THR 46 3HG2 THR 46 -6.721 2.890 0.190 410 H LYS 47 H LYS 47 -4.805 5.549 -3.469 411 HA LYS 47 HA LYS 47 -3.005 3.633 -4.415 412 1HB LYS 47 1HB LYS 47 -4.725 5.011 -5.733 413 2HB LYS 47 2HB LYS 47 -3.614 6.377 -5.654 414 1HG LYS 47 1HG LYS 47 -3.404 5.321 -7.797 415 2HG LYS 47 2HG LYS 47 -1.907 5.003 -6.906 416 1HD LYS 47 1HD LYS 47 -2.745 2.713 -6.369 417 2HD LYS 47 2HD LYS 47 -4.295 3.149 -7.121 418 1HE LYS 47 1HE LYS 47 -3.427 1.936 -8.798 419 2HE LYS 47 2HE LYS 47 -2.907 3.559 -9.258 420 1HZ LYS 47 1HZ LYS 47 -0.736 3.017 -8.256 421 2HZ LYS 47 2HZ LYS 47 -1.255 1.438 -8.004 422 3HZ LYS 47 3HZ LYS 47 -1.148 2.053 -9.516 423 H ARG 48 H ARG 48 -2.285 7.033 -3.537 424 HA ARG 48 HA ARG 48 0.406 6.990 -4.339 425 1HB ARG 48 1HB ARG 48 0.744 8.892 -2.960 426 2HB ARG 48 2HB ARG 48 -0.953 8.943 -3.439 427 1HG ARG 48 1HG ARG 48 -1.683 8.118 -1.313 428 2HG ARG 48 2HG ARG 48 -0.034 8.056 -0.711 429 1HD ARG 48 1HD ARG 48 -1.439 10.582 -1.544 430 2HD ARG 48 2HD ARG 48 -1.230 10.011 0.124 431 HE ARG 48 HE ARG 48 1.235 10.201 -1.459 432 1HH1 ARG 48 2HH2 ARG 48 -0.656 11.899 1.097 433 2HH1 ARG 48 1HH2 ARG 48 0.505 13.149 1.233 434 1HH2 ARG 48 2HH1 ARG 48 2.862 11.506 -0.915 435 2HH2 ARG 48 1HH1 ARG 48 2.736 12.686 0.359 436 H ASP 49 H ASP 49 -0.878 6.053 -1.154 437 HA ASP 49 HA ASP 49 1.613 5.044 -0.116 438 1HB ASP 49 1HB ASP 49 -1.351 4.998 0.623 439 2HB ASP 49 2HB ASP 49 -0.261 3.910 1.432 440 H ILE 50 H ILE 50 -1.048 3.615 -2.027 441 HA ILE 50 HA ILE 50 -0.159 0.965 -1.240 442 HB ILE 50 HB ILE 50 -2.027 1.916 -3.471 443 1HG1 ILE 50 1HG1 ILE 50 -3.256 -0.105 -2.447 444 2HG1 ILE 50 2HG1 ILE 50 -1.933 -0.228 -1.317 445 1HG2 ILE 50 1HG2 ILE 50 -0.696 -0.853 -3.499 446 2HG2 ILE 50 2HG2 ILE 50 -2.209 -0.489 -4.321 447 3HG2 ILE 50 3HG2 ILE 50 -0.737 0.332 -4.838 448 1HD1 ILE 50 1HD1 ILE 50 -3.682 2.196 -1.735 449 2HD1 ILE 50 2HD1 ILE 50 -3.926 1.008 -0.424 450 3HD1 ILE 50 3HD1 ILE 50 -2.477 2.011 -0.426 451 H ALA 51 H ALA 51 0.470 3.037 -4.176 452 HA ALA 51 HA ALA 51 2.183 1.028 -5.302 453 1HB ALA 51 1HB ALA 51 0.934 2.880 -6.441 454 2HB ALA 51 2HB ALA 51 2.055 4.036 -5.725 455 3HB ALA 51 3HB ALA 51 2.662 2.819 -6.886 456 H ARG 52 H ARG 52 2.623 3.101 -2.743 457 HA ARG 52 HA ARG 52 5.554 3.284 -2.629 458 1HB ARG 52 1HB ARG 52 4.234 5.195 -2.103 459 2HB ARG 52 2HB ARG 52 3.059 4.213 -1.279 460 1HG ARG 52 1HG ARG 52 4.220 5.946 0.006 461 2HG ARG 52 2HG ARG 52 3.788 4.391 0.700 462 1HD ARG 52 1HD ARG 52 5.759 3.627 0.797 463 2HD ARG 52 2HD ARG 52 6.455 4.673 -0.502 464 HE ARG 52 HE ARG 52 5.806 5.568 2.282 465 1HH1 ARG 52 2HH2 ARG 52 7.915 6.239 -0.542 466 2HH1 ARG 52 1HH2 ARG 52 7.846 7.964 -0.255 467 1HH2 ARG 52 2HH1 ARG 52 5.989 7.865 2.708 468 2HH2 ARG 52 1HH1 ARG 52 6.857 8.839 1.557 469 H ILE 53 H ILE 53 3.007 1.908 -0.495 470 HA ILE 53 HA ILE 53 4.788 0.257 0.991 471 HB ILE 53 HB ILE 53 1.766 0.351 0.695 472 1HG1 ILE 53 1HG1 ILE 53 3.492 1.415 2.931 473 2HG1 ILE 53 2HG1 ILE 53 3.027 2.459 1.611 474 1HG2 ILE 53 1HG2 ILE 53 3.310 -0.719 3.065 475 2HG2 ILE 53 2HG2 ILE 53 1.568 -0.861 2.723 476 3HG2 ILE 53 3HG2 ILE 53 2.751 -1.761 1.729 477 1HD1 ILE 53 1HD1 ILE 53 0.670 1.976 2.172 478 2HD1 ILE 53 2HD1 ILE 53 1.265 1.142 3.650 479 3HD1 ILE 53 3HD1 ILE 53 1.585 2.863 3.435 480 H LYS 54 H LYS 54 2.503 -0.511 -1.647 481 HA LYS 54 HA LYS 54 3.183 -3.249 -1.472 482 1HB LYS 54 1HB LYS 54 1.845 -3.577 -3.439 483 2HB LYS 54 2HB LYS 54 1.063 -2.268 -2.649 484 1HG LYS 54 1HG LYS 54 1.226 -1.434 -4.855 485 2HG LYS 54 2HG LYS 54 2.778 -0.867 -4.304 486 1HD LYS 54 1HD LYS 54 3.663 -1.885 -6.065 487 2HD LYS 54 2HD LYS 54 3.439 -3.395 -5.179 488 1HE LYS 54 1HE LYS 54 1.101 -3.546 -6.185 489 2HE LYS 54 2HE LYS 54 1.527 -2.146 -7.204 490 1HZ LYS 54 1HZ LYS 54 3.346 -3.485 -8.140 491 2HZ LYS 54 2HZ LYS 54 2.917 -4.768 -7.177 492 3HZ LYS 54 3HZ LYS 54 1.885 -4.204 -8.339 493 H THR 55 H THR 55 4.814 -0.503 -3.023 494 HA THR 55 HA THR 55 6.664 -2.121 -4.525 495 HB THR 55 HB THR 55 6.535 0.746 -3.641 496 HG1 THR 55 HG1 THR 55 5.627 0.834 -5.466 497 1HG2 THR 55 1HG2 THR 55 8.845 -0.476 -5.207 498 2HG2 THR 55 2HG2 THR 55 8.503 1.263 -5.018 499 3HG2 THR 55 3HG2 THR 55 8.937 0.310 -3.616 500 H ILE 56 H ILE 56 6.588 -1.053 -1.019 501 HA ILE 56 HA ILE 56 9.316 -1.754 -0.562 502 HB ILE 56 HB ILE 56 6.887 -1.513 1.196 503 1HG1 ILE 56 1HG1 ILE 56 8.211 0.440 0.186 504 2HG1 ILE 56 2HG1 ILE 56 7.808 0.465 1.881 505 1HG2 ILE 56 1HG2 ILE 56 9.596 -2.511 2.071 506 2HG2 ILE 56 2HG2 ILE 56 8.393 -1.800 3.196 507 3HG2 ILE 56 3HG2 ILE 56 8.060 -3.303 2.307 508 1HD1 ILE 56 1HD1 ILE 56 10.060 -0.011 2.550 509 2HD1 ILE 56 2HD1 ILE 56 10.518 -0.543 0.906 510 3HD1 ILE 56 3HD1 ILE 56 10.186 1.158 1.213 511 H LEU 57 H LEU 57 6.372 -3.741 -0.734 512 HA LEU 57 HA LEU 57 7.519 -6.306 -0.044 513 1HB LEU 57 1HB LEU 57 5.082 -5.742 -0.452 514 2HB LEU 57 2HB LEU 57 5.457 -6.007 -2.141 515 HG LEU 57 HG LEU 57 4.720 -7.982 -1.316 516 1HD1 LEU 57 1HD1 LEU 57 6.702 -8.190 -2.769 517 2HD1 LEU 57 2HD1 LEU 57 7.612 -8.629 -1.297 518 3HD1 LEU 57 3HD1 LEU 57 6.245 -9.615 -1.850 519 1HD2 LEU 57 1HD2 LEU 57 5.555 -9.272 0.580 520 2HD2 LEU 57 2HD2 LEU 57 6.583 -7.885 1.021 521 3HD2 LEU 57 3HD2 LEU 57 4.807 -7.737 1.006 522 H ARG 58 H ARG 58 7.123 -4.710 -3.236 523 HA ARG 58 HA ARG 58 8.512 -6.635 -4.723 524 1HB ARG 58 1HB ARG 58 7.131 -4.272 -5.235 525 2HB ARG 58 2HB ARG 58 8.760 -3.844 -5.740 526 1HG ARG 58 1HG ARG 58 7.245 -6.349 -6.603 527 2HG ARG 58 2HG ARG 58 7.258 -4.846 -7.508 528 1HD ARG 58 1HD ARG 58 10.005 -5.722 -6.903 529 2HD ARG 58 2HD ARG 58 9.105 -6.994 -7.707 530 HE ARG 58 HE ARG 58 9.488 -4.197 -8.691 531 1HH1 ARG 58 2HH2 ARG 58 8.892 -7.636 -9.534 532 2HH1 ARG 58 1HH2 ARG 58 8.718 -7.309 -11.206 533 1HH2 ARG 58 2HH1 ARG 58 9.198 -3.755 -10.783 534 2HH2 ARG 58 1HH1 ARG 58 8.905 -4.979 -11.988 535 H GLU 59 H GLU 59 9.817 -3.647 -3.363 536 HA GLU 59 HA GLU 59 12.554 -3.806 -4.102 537 1HB GLU 59 1HB GLU 59 11.276 -2.725 -1.565 538 2HB GLU 59 2HB GLU 59 12.929 -2.381 -2.070 539 1HG GLU 59 1HG GLU 59 10.679 -1.795 -3.970 540 2HG GLU 59 2HG GLU 59 10.933 -0.723 -2.592 541 H ARG 60 H ARG 60 10.784 -5.823 -1.822 542 HA ARG 60 HA ARG 60 13.382 -6.927 -0.804 543 1HB ARG 60 1HB ARG 60 10.539 -7.196 0.208 544 2HB ARG 60 2HB ARG 60 11.925 -8.088 0.863 545 1HG ARG 60 1HG ARG 60 13.080 -6.033 1.467 546 2HG ARG 60 2HG ARG 60 11.863 -5.037 0.643 547 1HD ARG 60 1HD ARG 60 11.409 -4.918 2.947 548 2HD ARG 60 2HD ARG 60 10.121 -5.856 2.191 549 HE ARG 60 HE ARG 60 10.720 -7.671 3.443 550 1HH1 ARG 60 2HH2 ARG 60 13.471 -5.396 3.661 551 2HH1 ARG 60 1HH2 ARG 60 14.137 -6.239 5.043 552 1HH2 ARG 60 2HH1 ARG 60 11.560 -8.595 5.303 553 2HH2 ARG 60 1HH1 ARG 60 13.016 -8.048 6.009 554 H GLU 61 H GLU 61 10.918 -7.650 -3.072 555 HA GLU 61 HA GLU 61 11.386 -10.495 -3.172 556 1HB GLU 61 1HB GLU 61 10.450 -8.681 -5.423 557 2HB GLU 61 2HB GLU 61 10.389 -10.445 -5.406 558 1HG GLU 61 1HG GLU 61 8.827 -10.327 -3.371 559 2HG GLU 61 2HG GLU 61 8.883 -8.577 -3.561 560 H LEU 62 H LEU 62 12.875 -7.727 -5.149 561 HA LEU 62 HA LEU 62 14.989 -9.486 -5.964 562 1HB LEU 62 1HB LEU 62 15.419 -6.569 -6.117 563 2HB LEU 62 2HB LEU 62 15.700 -7.831 -7.280 564 HG LEU 62 HG LEU 62 14.175 -6.640 -8.352 565 1HD1 LEU 62 1HD1 LEU 62 12.127 -7.627 -8.671 566 2HD1 LEU 62 2HD1 LEU 62 13.166 -8.934 -8.076 567 3HD1 LEU 62 3HD1 LEU 62 11.976 -8.155 -6.997 568 1HD2 LEU 62 1HD2 LEU 62 12.209 -5.445 -7.306 569 2HD2 LEU 62 2HD2 LEU 62 12.997 -5.811 -5.746 570 3HD2 LEU 62 3HD2 LEU 62 13.837 -4.854 -6.971 571 H GLY 63 H GLY 63 14.529 -7.585 -3.086 572 1HA GLY 63 1HA GLY 63 15.993 -7.123 -1.322 573 2HA GLY 63 2HA GLY 63 17.291 -7.983 -2.157 574 H ILE 64 H ILE 64 15.320 -5.083 -2.860 575 HA ILE 64 HA ILE 64 17.683 -3.457 -3.264 576 HB ILE 64 HB ILE 64 14.675 -3.045 -3.489 577 1HG1 ILE 64 1HG1 ILE 64 15.700 -4.385 -5.325 578 2HG1 ILE 64 2HG1 ILE 64 14.908 -2.905 -5.824 579 1HG2 ILE 64 1HG2 ILE 64 15.221 -0.849 -4.563 580 2HG2 ILE 64 2HG2 ILE 64 15.370 -0.947 -2.821 581 3HG2 ILE 64 3HG2 ILE 64 16.844 -0.994 -3.841 582 1HD1 ILE 64 1HD1 ILE 64 17.896 -2.984 -5.377 583 2HD1 ILE 64 2HD1 ILE 64 17.144 -3.466 -6.904 584 3HD1 ILE 64 3HD1 ILE 64 16.928 -1.805 -6.297 585 H ARG 65 H ARG 65 15.528 -4.588 -0.850 586 HA ARG 65 HA ARG 65 16.668 -2.701 1.164 587 1HB ARG 65 1HB ARG 65 13.788 -3.589 0.890 588 2HB ARG 65 2HB ARG 65 14.404 -2.798 2.332 589 1HG ARG 65 1HG ARG 65 14.559 -1.366 -0.353 590 2HG ARG 65 2HG ARG 65 13.060 -1.457 0.539 591 1HD ARG 65 1HD ARG 65 13.987 0.588 1.163 592 2HD ARG 65 2HD ARG 65 14.201 -0.487 2.546 593 HE ARG 65 HE ARG 65 16.500 -0.335 0.721 594 1HH1 ARG 65 2HH2 ARG 65 14.996 1.103 3.654 595 2HH1 ARG 65 1HH2 ARG 65 16.478 1.816 4.166 596 1HH2 ARG 65 2HH1 ARG 65 18.356 0.772 1.389 597 2HH2 ARG 65 1HH1 ARG 65 18.414 1.714 2.845 598 H ARG 66 H ARG 66 18.001 -4.708 0.781 599 HA ARG 66 HA ARG 66 17.299 -7.271 1.927 600 1HB ARG 66 1HB ARG 66 19.016 -7.088 0.248 601 2HB ARG 66 2HB ARG 66 19.917 -5.898 1.205 602 1HG ARG 66 1HG ARG 66 20.485 -7.470 2.856 603 2HG ARG 66 2HG ARG 66 19.332 -8.687 2.253 604 1HD ARG 66 1HD ARG 66 20.698 -9.330 0.505 605 2HD ARG 66 2HD ARG 66 21.359 -7.721 0.293 606 HE ARG 66 HE ARG 66 22.289 -9.804 2.168 607 1HH1 ARG 66 2HH2 ARG 66 22.995 -6.742 0.517 608 2HH1 ARG 66 1HH2 ARG 66 24.381 -6.367 1.479 609 1HH2 ARG 66 2HH1 ARG 66 24.293 -9.426 3.277 610 2HH2 ARG 66 1HH1 ARG 66 25.240 -8.049 2.890 Start of MODEL 14 1 1H MET 1 1H MET 1 10.662 3.667 -1.921 2 HA MET 1 HA MET 1 12.868 4.624 -1.473 3 1HB MET 1 1HB MET 1 11.673 6.844 -3.154 4 2HB MET 1 2HB MET 1 12.884 7.212 -1.916 5 1HG MET 1 1HG MET 1 14.446 5.614 -2.888 6 2HG MET 1 2HG MET 1 13.262 5.131 -4.094 7 1HE MET 1 1HE MET 1 15.305 8.381 -2.819 8 2HE MET 1 2HE MET 1 15.003 9.449 -4.208 9 3HE MET 1 3HE MET 1 13.666 8.992 -3.144 10 H LYS 2 H LYS 2 13.057 5.214 0.574 11 HA LYS 2 HA LYS 2 12.697 5.925 2.662 12 1HB LYS 2 1HB LYS 2 11.107 8.037 1.200 13 2HB LYS 2 2HB LYS 2 11.273 8.036 2.956 14 1HG LYS 2 1HG LYS 2 13.580 8.315 2.921 15 2HG LYS 2 2HG LYS 2 13.757 7.838 1.224 16 1HD LYS 2 1HD LYS 2 12.908 9.823 0.387 17 2HD LYS 2 2HD LYS 2 12.076 10.272 1.879 18 1HE LYS 2 1HE LYS 2 15.100 10.228 1.472 19 2HE LYS 2 2HE LYS 2 14.063 11.659 1.399 20 1HZ LYS 2 1HZ LYS 2 14.637 10.005 3.772 21 2HZ LYS 2 2HZ LYS 2 14.896 11.621 3.579 22 3HZ LYS 2 3HZ LYS 2 13.388 11.052 3.734 23 H ALA 3 H ALA 3 11.534 5.430 4.457 24 HA ALA 3 HA ALA 3 8.832 4.308 4.108 25 1HB ALA 3 1HB ALA 3 10.401 2.421 3.942 26 2HB ALA 3 2HB ALA 3 11.170 2.884 5.455 27 3HB ALA 3 3HB ALA 3 9.475 2.363 5.455 28 H SER 4 H SER 4 11.126 4.312 6.731 29 HA SER 4 HA SER 4 11.044 4.489 8.771 30 1HB SER 4 1HB SER 4 11.121 7.026 8.084 31 2HB SER 4 2HB SER 4 9.513 7.091 8.846 32 HG SER 4 HG SER 4 10.530 6.098 10.712 33 H GLU 5 H GLU 5 7.845 4.652 7.386 34 HA GLU 5 HA GLU 5 6.735 3.365 9.838 35 1HB GLU 5 1HB GLU 5 4.610 3.332 8.701 36 2HB GLU 5 2HB GLU 5 5.305 4.944 8.711 37 1HG GLU 5 1HG GLU 5 6.196 4.244 6.304 38 2HG GLU 5 2HG GLU 5 4.878 3.084 6.428 39 H LEU 6 H LEU 6 7.135 2.574 6.400 40 HA LEU 6 HA LEU 6 6.476 -0.220 6.799 41 1HB LEU 6 1HB LEU 6 7.625 1.506 4.476 42 2HB LEU 6 2HB LEU 6 7.449 -0.136 4.289 43 HG LEU 6 HG LEU 6 5.446 0.284 3.409 44 1HD1 LEU 6 1HD1 LEU 6 4.670 -0.706 5.546 45 2HD1 LEU 6 2HD1 LEU 6 4.436 0.920 6.198 46 3HD1 LEU 6 3HD1 LEU 6 3.522 0.398 4.779 47 1HD2 LEU 6 1HD2 LEU 6 5.525 2.439 2.847 48 2HD2 LEU 6 2HD2 LEU 6 4.360 2.674 4.160 49 3HD2 LEU 6 3HD2 LEU 6 6.063 3.012 4.420 50 H ARG 7 H ARG 7 9.607 1.127 7.247 51 HA ARG 7 HA ARG 7 10.762 -1.471 6.703 52 1HB ARG 7 1HB ARG 7 11.745 0.607 5.754 53 2HB ARG 7 2HB ARG 7 12.048 1.225 7.367 54 1HG ARG 7 1HG ARG 7 12.918 -1.550 6.782 55 2HG ARG 7 2HG ARG 7 13.741 -0.286 5.909 56 1HD ARG 7 1HD ARG 7 13.570 0.517 8.695 57 2HD ARG 7 2HD ARG 7 14.152 -1.155 8.641 58 HE ARG 7 HE ARG 7 15.991 -0.571 7.381 59 1HH1 ARG 7 2HH2 ARG 7 14.177 2.291 8.447 60 2HH1 ARG 7 1HH2 ARG 7 15.220 3.454 7.728 61 1HH2 ARG 7 2HH1 ARG 7 17.444 0.972 6.403 62 2HH2 ARG 7 1HH1 ARG 7 17.253 2.656 6.692 63 H ASN 8 H ASN 8 9.152 0.130 9.113 64 HA ASN 8 HA ASN 8 10.866 -0.433 11.372 65 1HB ASN 8 1HB ASN 8 9.181 1.449 11.301 66 2HB ASN 8 2HB ASN 8 7.876 0.264 11.273 67 1HD2 ASN 8 1HD2 ASN 8 7.043 -0.474 13.298 68 2HD2 ASN 8 2HD2 ASN 8 7.917 -0.145 14.766 69 H TYR 9 H TYR 9 8.142 -2.118 9.745 70 HA TYR 9 HA TYR 9 7.562 -3.658 12.070 71 1HB TYR 9 1HB TYR 9 6.132 -3.602 9.554 72 2HB TYR 9 2HB TYR 9 5.807 -4.507 10.999 73 HD1 TYR 9 HD1 TYR 9 5.368 -3.248 13.189 74 HD2 TYR 9 HD2 TYR 9 5.495 -1.339 9.311 75 HE1 TYR 9 HE1 TYR 9 3.919 -1.447 14.034 76 HE2 TYR 9 HE2 TYR 9 4.077 0.481 10.136 77 HH TYR 9 HH TYR 9 2.127 0.033 12.590 78 H THR 10 H THR 10 7.149 -6.197 11.557 79 HA THR 10 HA THR 10 9.733 -7.268 10.638 80 HB THR 10 HB THR 10 8.647 -9.427 11.212 81 HG1 THR 10 HG1 THR 10 6.628 -9.502 12.128 82 1HG2 THR 10 1HG2 THR 10 8.788 -9.059 13.661 83 2HG2 THR 10 2HG2 THR 10 9.976 -8.017 12.846 84 3HG2 THR 10 3HG2 THR 10 8.455 -7.327 13.443 85 H ASP 11 H ASP 11 9.894 -8.281 8.530 86 HA ASP 11 HA ASP 11 8.573 -7.939 6.295 87 1HB ASP 11 1HB ASP 11 9.734 -10.563 7.325 88 2HB ASP 11 2HB ASP 11 9.238 -10.283 5.668 89 H GLU 12 H GLU 12 7.489 -10.011 8.782 90 HA GLU 12 HA GLU 12 5.199 -11.156 7.563 91 1HB GLU 12 1HB GLU 12 6.562 -12.127 9.360 92 2HB GLU 12 2HB GLU 12 6.097 -10.879 10.461 93 1HG GLU 12 1HG GLU 12 3.884 -12.446 9.148 94 2HG GLU 12 2HG GLU 12 4.901 -13.331 10.296 95 H GLU 13 H GLU 13 5.478 -8.581 10.083 96 HA GLU 13 HA GLU 13 2.674 -7.777 10.017 97 1HB GLU 13 1HB GLU 13 5.287 -6.734 11.046 98 2HB GLU 13 2HB GLU 13 4.179 -5.508 10.531 99 1HG GLU 13 1HG GLU 13 2.830 -7.463 12.240 100 2HG GLU 13 2HG GLU 13 4.261 -6.770 12.987 101 H LEU 14 H LEU 14 5.557 -6.818 8.202 102 HA LEU 14 HA LEU 14 4.471 -4.594 6.816 103 1HB LEU 14 1HB LEU 14 6.719 -6.509 5.978 104 2HB LEU 14 2HB LEU 14 6.152 -5.213 4.993 105 HG LEU 14 HG LEU 14 7.997 -4.263 5.709 106 1HD1 LEU 14 1HD1 LEU 14 7.422 -2.897 8.067 107 2HD1 LEU 14 2HD1 LEU 14 6.622 -2.456 6.490 108 3HD1 LEU 14 3HD1 LEU 14 5.828 -3.429 7.629 109 1HD2 LEU 14 1HD2 LEU 14 9.172 -4.365 7.651 110 2HD2 LEU 14 2HD2 LEU 14 7.863 -5.276 8.393 111 3HD2 LEU 14 3HD2 LEU 14 8.798 -5.980 7.027 112 H LYS 15 H LYS 15 4.672 -8.048 5.668 113 HA LYS 15 HA LYS 15 3.244 -7.464 3.319 114 1HB LYS 15 1HB LYS 15 2.576 -9.820 3.303 115 2HB LYS 15 2HB LYS 15 4.333 -9.579 3.475 116 1HG LYS 15 1HG LYS 15 4.067 -9.884 5.942 117 2HG LYS 15 2HG LYS 15 2.343 -10.191 5.683 118 1HD LYS 15 1HD LYS 15 3.210 -12.168 4.161 119 2HD LYS 15 2HD LYS 15 4.632 -12.032 5.236 120 1HE LYS 15 1HE LYS 15 3.552 -13.125 6.811 121 2HE LYS 15 2HE LYS 15 2.433 -11.778 6.974 122 1HZ LYS 15 1HZ LYS 15 1.124 -13.643 6.590 123 2HZ LYS 15 2HZ LYS 15 1.089 -12.888 5.172 124 3HZ LYS 15 3HZ LYS 15 2.061 -14.219 5.380 125 H ASN 16 H ASN 16 2.060 -8.224 6.625 126 HA ASN 16 HA ASN 16 -0.658 -8.360 5.787 127 1HB ASN 16 1HB ASN 16 0.610 -9.353 7.859 128 2HB ASN 16 2HB ASN 16 0.396 -7.784 8.595 129 1HD2 ASN 16 1HD2 ASN 16 -1.264 -8.417 10.189 130 2HD2 ASN 16 2HD2 ASN 16 -2.798 -9.095 9.723 131 H LEU 17 H LEU 17 1.229 -5.778 5.927 132 HA LEU 17 HA LEU 17 -0.996 -3.747 6.244 133 1HB LEU 17 1HB LEU 17 1.975 -3.565 6.714 134 2HB LEU 17 2HB LEU 17 1.199 -2.212 5.887 135 HG LEU 17 HG LEU 17 -0.471 -2.104 7.774 136 1HD1 LEU 17 1HD1 LEU 17 0.175 -3.075 9.933 137 2HD1 LEU 17 2HD1 LEU 17 0.072 -4.380 8.762 138 3HD1 LEU 17 3HD1 LEU 17 1.657 -3.762 9.227 139 1HD2 LEU 17 1HD2 LEU 17 1.384 -0.498 7.442 140 2HD2 LEU 17 2HD2 LEU 17 1.023 -0.760 9.150 141 3HD2 LEU 17 3HD2 LEU 17 2.448 -1.539 8.413 142 H LEU 18 H LEU 18 1.646 -4.919 4.163 143 HA LEU 18 HA LEU 18 1.036 -2.867 2.218 144 1HB LEU 18 1HB LEU 18 2.818 -5.177 1.480 145 2HB LEU 18 2HB LEU 18 2.877 -3.508 0.981 146 HG LEU 18 HG LEU 18 4.121 -4.918 3.246 147 1HD1 LEU 18 1HD1 LEU 18 6.012 -4.078 2.576 148 2HD1 LEU 18 2HD1 LEU 18 5.091 -3.732 1.090 149 3HD1 LEU 18 3HD1 LEU 18 5.340 -2.457 2.279 150 1HD2 LEU 18 1HD2 LEU 18 4.588 -3.026 4.686 151 2HD2 LEU 18 2HD2 LEU 18 3.672 -1.907 3.664 152 3HD2 LEU 18 3HD2 LEU 18 2.853 -3.127 4.592 153 H GLU 19 H GLU 19 0.357 -6.241 2.601 154 HA GLU 19 HA GLU 19 -1.054 -6.703 0.167 155 1HB GLU 19 1HB GLU 19 -1.737 -8.624 1.161 156 2HB GLU 19 2HB GLU 19 -0.267 -8.300 2.046 157 1HG GLU 19 1HG GLU 19 -1.367 -8.799 3.833 158 2HG GLU 19 2HG GLU 19 -2.114 -7.225 3.772 159 H GLU 20 H GLU 20 -1.985 -5.252 3.288 160 HA GLU 20 HA GLU 20 -4.727 -4.959 2.750 161 1HB GLU 20 1HB GLU 20 -4.004 -4.919 4.975 162 2HB GLU 20 2HB GLU 20 -2.896 -3.586 4.719 163 1HG GLU 20 1HG GLU 20 -4.763 -2.055 4.212 164 2HG GLU 20 2HG GLU 20 -5.906 -3.396 4.412 165 H LYS 21 H LYS 21 -2.067 -2.401 2.416 166 HA LYS 21 HA LYS 21 -3.729 -0.558 1.175 167 1HB LYS 21 1HB LYS 21 -0.755 -1.120 0.881 168 2HB LYS 21 2HB LYS 21 -1.514 0.384 0.381 169 1HG LYS 21 1HG LYS 21 -1.481 -0.634 3.243 170 2HG LYS 21 2HG LYS 21 -0.393 0.572 2.589 171 1HD LYS 21 1HD LYS 21 -3.391 1.002 2.639 172 2HD LYS 21 2HD LYS 21 -2.314 1.366 3.973 173 1HE LYS 21 1HE LYS 21 -0.934 2.835 2.471 174 2HE LYS 21 2HE LYS 21 -2.138 2.595 1.180 175 1HZ LYS 21 1HZ LYS 21 -2.633 3.677 3.880 176 2HZ LYS 21 2HZ LYS 21 -2.613 4.584 2.502 177 3HZ LYS 21 3HZ LYS 21 -3.799 3.460 2.757 178 H LYS 22 H LYS 22 -1.598 -3.105 -0.383 179 HA LYS 22 HA LYS 22 -2.271 -2.392 -2.993 180 1HB LYS 22 1HB LYS 22 -0.454 -3.904 -2.119 181 2HB LYS 22 2HB LYS 22 -1.634 -5.223 -2.080 182 1HG LYS 22 1HG LYS 22 -1.913 -5.050 -4.519 183 2HG LYS 22 2HG LYS 22 -0.985 -3.544 -4.540 184 1HD LYS 22 1HD LYS 22 0.890 -4.711 -4.898 185 2HD LYS 22 2HD LYS 22 0.728 -5.423 -3.288 186 1HE LYS 22 1HE LYS 22 -0.765 -7.183 -4.330 187 2HE LYS 22 2HE LYS 22 -0.309 -6.539 -5.920 188 1HZ LYS 22 1HZ LYS 22 1.051 -8.392 -5.217 189 2HZ LYS 22 2HZ LYS 22 2.022 -7.053 -5.337 190 3HZ LYS 22 3HZ LYS 22 1.516 -7.620 -3.862 191 H ARG 23 H ARG 23 -4.192 -4.566 -0.780 192 HA ARG 23 HA ARG 23 -6.193 -5.045 -2.860 193 1HB ARG 23 1HB ARG 23 -7.588 -5.967 -1.170 194 2HB ARG 23 2HB ARG 23 -5.958 -6.642 -1.049 195 1HG ARG 23 1HG ARG 23 -5.535 -5.083 0.810 196 2HG ARG 23 2HG ARG 23 -7.226 -4.563 0.809 197 1HD ARG 23 1HD ARG 23 -6.125 -7.347 1.267 198 2HD ARG 23 2HD ARG 23 -6.682 -6.239 2.537 199 HE ARG 23 HE ARG 23 -8.882 -6.415 0.946 200 1HH1 ARG 23 2HH2 ARG 23 -6.789 -8.841 2.484 201 2HH1 ARG 23 1HH2 ARG 23 -8.020 -10.049 2.600 202 1HH2 ARG 23 2HH1 ARG 23 -10.446 -7.867 1.010 203 2HH2 ARG 23 1HH1 ARG 23 -10.293 -9.457 1.712 204 H GLN 24 H GLN 24 -6.094 -2.814 0.037 205 HA GLN 24 HA GLN 24 -8.525 -1.702 -0.141 206 1HB GLN 24 1HB GLN 24 -5.829 -0.593 0.629 207 2HB GLN 24 2HB GLN 24 -7.182 0.466 0.493 208 1HG GLN 24 1HG GLN 24 -8.233 -1.621 2.037 209 2HG GLN 24 2HG GLN 24 -6.564 -1.455 2.596 210 1HE2 GLN 24 1HE2 GLN 24 -8.124 -0.992 4.621 211 2HE2 GLN 24 2HE2 GLN 24 -8.443 0.694 4.865 212 H LEU 25 H LEU 25 -5.682 -0.661 -2.074 213 HA LEU 25 HA LEU 25 -6.951 1.488 -3.439 214 1HB LEU 25 1HB LEU 25 -4.675 1.165 -3.860 215 2HB LEU 25 2HB LEU 25 -4.869 -0.544 -4.221 216 HG LEU 25 HG LEU 25 -5.955 0.154 -6.429 217 1HD1 LEU 25 1HD1 LEU 25 -6.928 2.296 -5.682 218 2HD1 LEU 25 2HD1 LEU 25 -5.332 2.910 -5.250 219 3HD1 LEU 25 3HD1 LEU 25 -5.770 2.586 -6.972 220 1HD2 LEU 25 1HD2 LEU 25 -3.522 -0.176 -6.400 221 2HD2 LEU 25 2HD2 LEU 25 -3.977 1.107 -7.504 222 3HD2 LEU 25 3HD2 LEU 25 -3.288 1.518 -5.915 223 H MET 26 H MET 26 -6.851 -1.964 -4.340 224 HA MET 26 HA MET 26 -8.678 -1.645 -6.559 225 1HB MET 26 1HB MET 26 -7.934 -4.122 -4.963 226 2HB MET 26 2HB MET 26 -8.783 -4.128 -6.499 227 1HG MET 26 1HG MET 26 -6.907 -3.190 -7.656 228 2HG MET 26 2HG MET 26 -5.996 -2.973 -6.147 229 1HE MET 26 1HE MET 26 -4.091 -4.290 -7.916 230 2HE MET 26 2HE MET 26 -4.382 -5.966 -8.425 231 3HE MET 26 3HE MET 26 -5.385 -4.656 -9.084 232 H GLU 27 H GLU 27 -9.279 -1.935 -3.118 233 HA GLU 27 HA GLU 27 -11.988 -3.103 -3.436 234 1HB GLU 27 1HB GLU 27 -10.476 -2.083 -0.977 235 2HB GLU 27 2HB GLU 27 -12.036 -2.855 -0.923 236 1HG GLU 27 1HG GLU 27 -10.102 -4.515 -2.362 237 2HG GLU 27 2HG GLU 27 -9.449 -4.033 -0.806 238 H LEU 28 H LEU 28 -10.421 -0.088 -2.421 239 HA LEU 28 HA LEU 28 -12.791 1.402 -1.967 240 1HB LEU 28 1HB LEU 28 -9.910 2.115 -2.565 241 2HB LEU 28 2HB LEU 28 -11.165 3.329 -2.503 242 HG LEU 28 HG LEU 28 -11.580 3.154 -0.269 243 1HD1 LEU 28 1HD1 LEU 28 -10.837 1.488 1.300 244 2HD1 LEU 28 2HD1 LEU 28 -11.780 0.704 0.040 245 3HD1 LEU 28 3HD1 LEU 28 -10.011 0.564 0.045 246 1HD2 LEU 28 1HD2 LEU 28 -8.616 2.542 -0.569 247 2HD2 LEU 28 2HD2 LEU 28 -9.356 4.151 -0.771 248 3HD2 LEU 28 3HD2 LEU 28 -9.361 3.357 0.816 249 H ARG 29 H ARG 29 -10.720 1.173 -4.859 250 HA ARG 29 HA ARG 29 -12.442 2.803 -6.484 251 1HB ARG 29 1HB ARG 29 -11.408 2.045 -8.434 252 2HB ARG 29 2HB ARG 29 -10.145 2.136 -7.202 253 1HG ARG 29 1HG ARG 29 -10.253 -0.272 -6.902 254 2HG ARG 29 2HG ARG 29 -11.573 -0.423 -8.074 255 1HD ARG 29 1HD ARG 29 -9.913 0.780 -9.717 256 2HD ARG 29 2HD ARG 29 -8.675 0.190 -8.614 257 HE ARG 29 HE ARG 29 -9.412 -2.090 -9.078 258 1HH1 ARG 29 2HH2 ARG 29 -10.967 0.307 -11.271 259 2HH1 ARG 29 1HH2 ARG 29 -11.294 -0.859 -12.475 260 1HH2 ARG 29 2HH1 ARG 29 -9.904 -3.622 -10.736 261 2HH2 ARG 29 1HH1 ARG 29 -10.768 -3.112 -12.132 262 H PHE 30 H PHE 30 -12.718 -0.579 -5.590 263 HA PHE 30 HA PHE 30 -14.862 -1.297 -7.352 264 1HB PHE 30 1HB PHE 30 -13.387 -2.949 -6.443 265 2HB PHE 30 2HB PHE 30 -13.575 -2.386 -4.852 266 HD1 PHE 30 HD1 PHE 30 -15.427 -4.139 -7.559 267 HD2 PHE 30 HD2 PHE 30 -15.055 -3.333 -3.326 268 HE1 PHE 30 HE1 PHE 30 -16.969 -6.008 -7.060 269 HE2 PHE 30 HE2 PHE 30 -16.591 -5.205 -2.833 270 HZ PHE 30 HZ PHE 30 -17.573 -6.524 -4.723 271 H GLN 31 H GLN 31 -14.779 0.646 -4.261 272 HA GLN 31 HA GLN 31 -17.618 0.236 -3.839 273 1HB GLN 31 1HB GLN 31 -15.511 2.023 -2.506 274 2HB GLN 31 2HB GLN 31 -17.216 2.040 -2.134 275 1HG GLN 31 1HG GLN 31 -16.680 -0.639 -1.861 276 2HG GLN 31 2HG GLN 31 -15.136 0.056 -1.385 277 1HE2 GLN 31 1HE2 GLN 31 -18.127 -0.867 -0.171 278 2HE2 GLN 31 2HE2 GLN 31 -18.140 0.106 1.290 279 H LEU 32 H LEU 32 -15.345 2.418 -5.458 280 HA LEU 32 HA LEU 32 -17.157 4.642 -5.714 281 1HB LEU 32 1HB LEU 32 -14.633 4.619 -6.207 282 2HB LEU 32 2HB LEU 32 -14.990 3.855 -7.726 283 HG LEU 32 HG LEU 32 -14.615 6.107 -7.991 284 1HD1 LEU 32 1HD1 LEU 32 -16.394 5.147 -9.462 285 2HD1 LEU 32 2HD1 LEU 32 -17.576 6.071 -8.502 286 3HD1 LEU 32 3HD1 LEU 32 -16.307 6.915 -9.372 287 1HD2 LEU 32 1HD2 LEU 32 -16.998 6.720 -6.155 288 2HD2 LEU 32 2HD2 LEU 32 -15.300 6.956 -5.743 289 3HD2 LEU 32 3HD2 LEU 32 -16.049 7.939 -7.017 290 H ALA 33 H ALA 33 -16.226 2.168 -7.919 291 HA ALA 33 HA ALA 33 -18.024 2.402 -10.056 292 1HB ALA 33 1HB ALA 33 -16.187 0.716 -9.960 293 2HB ALA 33 2HB ALA 33 -17.093 -0.197 -8.730 294 3HB ALA 33 3HB ALA 33 -17.739 -0.036 -10.368 295 H MET 34 H MET 34 -18.585 0.863 -6.828 296 HA MET 34 HA MET 34 -21.262 0.222 -7.566 297 1HB MET 34 1HB MET 34 -19.465 -0.202 -5.191 298 2HB MET 34 2HB MET 34 -21.182 -0.366 -4.939 299 1HG MET 34 1HG MET 34 -20.033 -1.788 -7.330 300 2HG MET 34 2HG MET 34 -19.639 -2.426 -5.749 301 1HE MET 34 1HE MET 34 -22.416 -1.764 -8.357 302 2HE MET 34 2HE MET 34 -23.899 -2.342 -7.573 303 3HE MET 34 3HE MET 34 -23.166 -0.814 -7.055 304 H GLY 35 H GLY 35 -19.753 3.000 -6.198 305 1HA GLY 35 1HA GLY 35 -20.664 5.062 -6.192 306 2HA GLY 35 2HA GLY 35 -22.316 4.430 -6.121 307 H GLN 36 H GLN 36 -19.589 3.484 -3.995 308 HA GLN 36 HA GLN 36 -21.218 4.435 -1.705 309 1HB GLN 36 1HB GLN 36 -19.352 2.075 -1.634 310 2HB GLN 36 2HB GLN 36 -20.701 2.419 -0.577 311 1HG GLN 36 1HG GLN 36 -20.981 1.708 -3.530 312 2HG GLN 36 2HG GLN 36 -20.960 0.516 -2.252 313 1HE2 GLN 36 1HE2 GLN 36 -23.211 2.039 -4.207 314 2HE2 GLN 36 2HE2 GLN 36 -24.532 1.990 -3.079 315 H LEU 37 H LEU 37 -18.184 4.389 -3.241 316 HA LEU 37 HA LEU 37 -16.359 5.109 -1.175 317 1HB LEU 37 1HB LEU 37 -15.793 4.305 -3.402 318 2HB LEU 37 2HB LEU 37 -16.270 5.863 -4.085 319 HG LEU 37 HG LEU 37 -14.153 5.504 -1.937 320 1HD1 LEU 37 1HD1 LEU 37 -13.751 4.300 -4.196 321 2HD1 LEU 37 2HD1 LEU 37 -13.416 5.913 -4.841 322 3HD1 LEU 37 3HD1 LEU 37 -12.473 5.270 -3.482 323 1HD2 LEU 37 1HD2 LEU 37 -14.890 7.859 -3.710 324 2HD2 LEU 37 2HD2 LEU 37 -14.539 7.816 -1.971 325 3HD2 LEU 37 3HD2 LEU 37 -13.226 7.666 -3.113 326 H LYS 38 H LYS 38 -16.241 6.928 0.031 327 HA LYS 38 HA LYS 38 -17.842 9.292 -0.766 328 1HB LYS 38 1HB LYS 38 -18.259 8.038 1.322 329 2HB LYS 38 2HB LYS 38 -16.681 8.524 1.944 330 1HG LYS 38 1HG LYS 38 -17.362 10.868 1.963 331 2HG LYS 38 2HG LYS 38 -18.816 10.476 1.017 332 1HD LYS 38 1HD LYS 38 -19.539 8.975 2.937 333 2HD LYS 38 2HD LYS 38 -18.215 9.657 3.877 334 1HE LYS 38 1HE LYS 38 -20.271 10.761 4.459 335 2HE LYS 38 2HE LYS 38 -19.227 11.920 3.630 336 1HZ LYS 38 1HZ LYS 38 -21.061 10.524 1.868 337 2HZ LYS 38 2HZ LYS 38 -21.813 11.458 2.990 338 3HZ LYS 38 3HZ LYS 38 -20.733 12.114 1.981 339 H ASN 39 H ASN 39 -16.363 10.138 -2.278 340 HA ASN 39 HA ASN 39 -15.138 11.976 -2.836 341 1HB ASN 39 1HB ASN 39 -15.176 12.689 -0.389 342 2HB ASN 39 2HB ASN 39 -13.582 11.949 -0.231 343 1HD2 ASN 39 1HD2 ASN 39 -14.531 14.805 -0.065 344 2HD2 ASN 39 2HD2 ASN 39 -13.606 15.690 -1.250 345 H THR 40 H THR 40 -13.788 11.425 -4.477 346 HA THR 40 HA THR 40 -11.948 9.220 -4.206 347 HB THR 40 HB THR 40 -11.306 9.757 -6.534 348 HG1 THR 40 HG1 THR 40 -13.302 11.781 -6.370 349 1HG2 THR 40 1HG2 THR 40 -13.221 8.273 -6.024 350 2HG2 THR 40 2HG2 THR 40 -14.327 9.664 -6.110 351 3HG2 THR 40 3HG2 THR 40 -13.428 9.142 -7.547 352 H SER 41 H SER 41 -11.502 12.473 -3.221 353 HA SER 41 HA SER 41 -8.746 12.821 -3.829 354 1HB SER 41 1HB SER 41 -10.289 13.804 -1.405 355 2HB SER 41 2HB SER 41 -8.714 14.400 -1.974 356 HG SER 41 HG SER 41 -11.255 14.838 -2.938 357 H LEU 42 H LEU 42 -10.336 10.687 -1.485 358 HA LEU 42 HA LEU 42 -7.888 10.129 -0.079 359 1HB LEU 42 1HB LEU 42 -10.323 10.035 0.726 360 2HB LEU 42 2HB LEU 42 -10.487 8.557 -0.199 361 HG LEU 42 HG LEU 42 -10.177 8.333 2.245 362 1HD1 LEU 42 1HD1 LEU 42 -9.639 6.446 0.775 363 2HD1 LEU 42 2HD1 LEU 42 -7.965 7.001 0.674 364 3HD1 LEU 42 3HD1 LEU 42 -8.639 6.449 2.231 365 1HD2 LEU 42 1HD2 LEU 42 -7.291 9.195 1.792 366 2HD2 LEU 42 2HD2 LEU 42 -8.572 10.201 2.526 367 3HD2 LEU 42 3HD2 LEU 42 -8.052 8.704 3.316 368 H ILE 43 H ILE 43 -9.791 8.490 -2.736 369 HA ILE 43 HA ILE 43 -8.284 6.165 -2.818 370 HB ILE 43 HB ILE 43 -10.434 7.221 -4.184 371 1HG1 ILE 43 1HG1 ILE 43 -10.163 4.955 -3.384 372 2HG1 ILE 43 2HG1 ILE 43 -10.782 4.981 -5.028 373 1HG2 ILE 43 1HG2 ILE 43 -9.209 8.151 -6.014 374 2HG2 ILE 43 2HG2 ILE 43 -8.402 6.598 -6.304 375 3HG2 ILE 43 3HG2 ILE 43 -10.155 6.761 -6.554 376 1HD1 ILE 43 1HD1 ILE 43 -8.549 4.263 -5.872 377 2HD1 ILE 43 2HD1 ILE 43 -7.956 4.205 -4.197 378 3HD1 ILE 43 3HD1 ILE 43 -9.237 3.109 -4.730 379 H LYS 44 H LYS 44 -7.787 9.209 -4.522 380 HA LYS 44 HA LYS 44 -5.700 8.359 -6.240 381 1HB LYS 44 1HB LYS 44 -5.527 10.653 -6.703 382 2HB LYS 44 2HB LYS 44 -7.237 10.289 -6.302 383 1HG LYS 44 1HG LYS 44 -7.277 12.051 -5.125 384 2HG LYS 44 2HG LYS 44 -6.319 11.192 -3.916 385 1HD LYS 44 1HD LYS 44 -5.131 12.893 -6.117 386 2HD LYS 44 2HD LYS 44 -5.658 13.554 -4.573 387 1HE LYS 44 1HE LYS 44 -4.074 12.041 -3.397 388 2HE LYS 44 2HE LYS 44 -3.463 11.498 -4.961 389 1HZ LYS 44 1HZ LYS 44 -3.422 14.282 -3.883 390 2HZ LYS 44 2HZ LYS 44 -2.139 13.305 -3.953 391 3HZ LYS 44 3HZ LYS 44 -2.819 13.893 -5.333 392 H LEU 45 H LEU 45 -5.559 9.505 -2.900 393 HA LEU 45 HA LEU 45 -2.751 9.698 -2.626 394 1HB LEU 45 1HB LEU 45 -4.227 11.104 -1.561 395 2HB LEU 45 2HB LEU 45 -5.347 9.841 -1.004 396 HG LEU 45 HG LEU 45 -3.981 9.173 0.681 397 1HD1 LEU 45 1HD1 LEU 45 -1.887 10.546 -0.909 398 2HD1 LEU 45 2HD1 LEU 45 -1.589 10.320 0.841 399 3HD1 LEU 45 3HD1 LEU 45 -1.857 8.913 -0.208 400 1HD2 LEU 45 1HD2 LEU 45 -3.651 11.154 1.892 401 2HD2 LEU 45 2HD2 LEU 45 -3.506 12.120 0.435 402 3HD2 LEU 45 3HD2 LEU 45 -5.092 11.481 0.806 403 H THR 46 H THR 46 -5.469 7.236 -2.142 404 HA THR 46 HA THR 46 -3.877 5.354 -0.798 405 HB THR 46 HB THR 46 -6.152 4.596 -2.657 406 HG1 THR 46 HG1 THR 46 -6.197 6.113 -0.297 407 1HG2 THR 46 1HG2 THR 46 -4.852 3.532 -0.191 408 2HG2 THR 46 2HG2 THR 46 -6.604 3.495 -0.171 409 3HG2 THR 46 3HG2 THR 46 -5.755 2.664 -1.477 410 H LYS 47 H LYS 47 -4.485 5.628 -4.371 411 HA LYS 47 HA LYS 47 -2.661 3.571 -5.049 412 1HB LYS 47 1HB LYS 47 -2.245 4.914 -7.246 413 2HB LYS 47 2HB LYS 47 -3.585 3.803 -6.971 414 1HG LYS 47 1HG LYS 47 -3.848 6.506 -5.981 415 2HG LYS 47 2HG LYS 47 -3.759 6.422 -7.727 416 1HD LYS 47 1HD LYS 47 -5.716 4.789 -6.060 417 2HD LYS 47 2HD LYS 47 -6.112 6.385 -6.716 418 1HE LYS 47 1HE LYS 47 -5.333 5.511 -9.028 419 2HE LYS 47 2HE LYS 47 -5.623 3.907 -8.368 420 1HZ LYS 47 1HZ LYS 47 -7.530 6.095 -8.831 421 2HZ LYS 47 2HZ LYS 47 -7.582 4.568 -9.405 422 3HZ LYS 47 3HZ LYS 47 -7.940 4.833 -7.845 423 H ARG 48 H ARG 48 -1.720 6.942 -4.394 424 HA ARG 48 HA ARG 48 0.955 6.557 -5.375 425 1HB ARG 48 1HB ARG 48 0.719 8.401 -3.027 426 2HB ARG 48 2HB ARG 48 1.465 8.663 -4.651 427 1HG ARG 48 1HG ARG 48 -0.955 8.759 -5.503 428 2HG ARG 48 2HG ARG 48 -1.360 8.708 -3.747 429 1HD ARG 48 1HD ARG 48 -1.167 10.910 -3.638 430 2HD ARG 48 2HD ARG 48 0.553 10.781 -4.083 431 HE ARG 48 HE ARG 48 -1.743 11.132 -6.001 432 1HH1 ARG 48 2HH2 ARG 48 1.763 11.509 -5.401 433 2HH1 ARG 48 1HH2 ARG 48 2.023 12.200 -6.947 434 1HH2 ARG 48 2HH1 ARG 48 -1.366 12.148 -7.870 435 2HH2 ARG 48 1HH1 ARG 48 0.228 12.421 -8.489 436 H ASP 49 H ASP 49 -0.534 6.267 -2.149 437 HA ASP 49 HA ASP 49 1.950 5.494 -0.894 438 1HB ASP 49 1HB ASP 49 -0.693 6.233 -0.162 439 2HB ASP 49 2HB ASP 49 -0.250 4.748 0.730 440 H ILE 50 H ILE 50 -0.956 3.702 -2.029 441 HA ILE 50 HA ILE 50 -0.113 1.083 -1.466 442 HB ILE 50 HB ILE 50 -1.731 2.234 -3.727 443 1HG1 ILE 50 1HG1 ILE 50 -3.044 0.072 -2.981 444 2HG1 ILE 50 2HG1 ILE 50 -1.884 0.020 -1.688 445 1HG2 ILE 50 1HG2 ILE 50 -0.377 0.743 -5.123 446 2HG2 ILE 50 2HG2 ILE 50 -0.513 -0.561 -3.899 447 3HG2 ILE 50 3HG2 ILE 50 -1.922 -0.041 -4.830 448 1HD1 ILE 50 1HD1 ILE 50 -3.951 1.145 -0.996 449 2HD1 ILE 50 2HD1 ILE 50 -2.628 2.281 -0.960 450 3HD1 ILE 50 3HD1 ILE 50 -3.757 2.333 -2.383 451 H ALA 51 H ALA 51 0.877 3.143 -4.260 452 HA ALA 51 HA ALA 51 2.497 1.041 -5.233 453 1HB ALA 51 1HB ALA 51 3.284 2.783 -6.790 454 2HB ALA 51 2HB ALA 51 1.529 2.997 -6.484 455 3HB ALA 51 3HB ALA 51 2.700 4.075 -5.703 456 H ARG 52 H ARG 52 3.273 3.803 -3.076 457 HA ARG 52 HA ARG 52 6.046 3.186 -2.752 458 1HB ARG 52 1HB ARG 52 4.897 5.321 -2.197 459 2HB ARG 52 2HB ARG 52 4.073 4.557 -0.849 460 1HG ARG 52 1HG ARG 52 7.100 4.825 -0.995 461 2HG ARG 52 2HG ARG 52 6.001 6.052 -0.344 462 1HD ARG 52 1HD ARG 52 5.080 3.969 1.071 463 2HD ARG 52 2HD ARG 52 6.716 3.381 0.783 464 HE ARG 52 HE ARG 52 7.600 5.336 1.892 465 1HH1 ARG 52 2HH2 ARG 52 3.976 5.310 2.247 466 2HH1 ARG 52 1HH2 ARG 52 4.083 5.784 3.903 467 1HH2 ARG 52 2HH1 ARG 52 7.479 6.565 3.868 468 2HH2 ARG 52 1HH1 ARG 52 6.031 6.463 4.818 469 H ILE 53 H ILE 53 3.322 2.326 -0.494 470 HA ILE 53 HA ILE 53 4.630 0.505 1.104 471 HB ILE 53 HB ILE 53 1.753 0.916 0.199 472 1HG1 ILE 53 1HG1 ILE 53 1.819 1.094 2.944 473 2HG1 ILE 53 2HG1 ILE 53 3.442 1.527 2.588 474 1HG2 ILE 53 1HG2 ILE 53 2.851 -1.311 1.864 475 2HG2 ILE 53 2HG2 ILE 53 1.208 -0.747 2.080 476 3HG2 ILE 53 3HG2 ILE 53 1.694 -1.390 0.526 477 1HD1 ILE 53 1HD1 ILE 53 2.693 3.466 1.337 478 2HD1 ILE 53 2HD1 ILE 53 1.001 2.896 1.486 479 3HD1 ILE 53 3HD1 ILE 53 1.904 3.434 2.912 480 H LYS 54 H LYS 54 2.749 -0.389 -1.809 481 HA LYS 54 HA LYS 54 3.371 -3.093 -1.401 482 1HB LYS 54 1HB LYS 54 2.147 -3.560 -3.344 483 2HB LYS 54 2HB LYS 54 1.311 -2.178 -2.706 484 1HG LYS 54 1HG LYS 54 1.525 -1.567 -4.906 485 2HG LYS 54 2HG LYS 54 3.071 -0.888 -4.345 486 1HD LYS 54 1HD LYS 54 4.343 -2.403 -5.479 487 2HD LYS 54 2HD LYS 54 3.155 -3.712 -5.331 488 1HE LYS 54 1HE LYS 54 1.715 -2.598 -6.999 489 2HE LYS 54 2HE LYS 54 2.812 -1.207 -7.041 490 1HZ LYS 54 1HZ LYS 54 3.126 -2.626 -8.906 491 2HZ LYS 54 2HZ LYS 54 4.496 -2.610 -7.998 492 3HZ LYS 54 3HZ LYS 54 3.484 -3.927 -7.971 493 H THR 55 H THR 55 5.115 -0.543 -3.183 494 HA THR 55 HA THR 55 7.053 -2.280 -4.363 495 HB THR 55 HB THR 55 6.996 0.620 -3.570 496 HG1 THR 55 HG1 THR 55 7.575 -0.150 -6.142 497 1HG2 THR 55 1HG2 THR 55 9.360 -0.815 -4.816 498 2HG2 THR 55 2HG2 THR 55 9.106 0.939 -4.836 499 3HG2 THR 55 3HG2 THR 55 9.324 0.101 -3.296 500 H ILE 56 H ILE 56 6.808 -0.913 -0.959 501 HA ILE 56 HA ILE 56 9.455 -1.575 -0.192 502 HB ILE 56 HB ILE 56 6.916 -1.490 1.339 503 1HG1 ILE 56 1HG1 ILE 56 8.207 0.556 0.395 504 2HG1 ILE 56 2HG1 ILE 56 7.411 0.571 1.932 505 1HG2 ILE 56 1HG2 ILE 56 8.357 -3.233 2.483 506 2HG2 ILE 56 2HG2 ILE 56 9.501 -1.930 2.849 507 3HG2 ILE 56 3HG2 ILE 56 7.843 -1.928 3.451 508 1HD1 ILE 56 1HD1 ILE 56 9.640 1.655 1.929 509 2HD1 ILE 56 2HD1 ILE 56 9.535 0.340 3.118 510 3HD1 ILE 56 3HD1 ILE 56 10.381 0.075 1.565 511 H LEU 57 H LEU 57 6.505 -3.523 -0.188 512 HA LEU 57 HA LEU 57 7.630 -5.978 0.776 513 1HB LEU 57 1HB LEU 57 5.341 -5.938 0.817 514 2HB LEU 57 2HB LEU 57 5.192 -5.311 -0.832 515 HG LEU 57 HG LEU 57 5.760 -7.425 -1.769 516 1HD1 LEU 57 1HD1 LEU 57 7.416 -8.311 -0.242 517 2HD1 LEU 57 2HD1 LEU 57 6.214 -8.449 1.054 518 3HD1 LEU 57 3HD1 LEU 57 6.122 -9.460 -0.421 519 1HD2 LEU 57 1HD2 LEU 57 3.810 -7.880 0.541 520 2HD2 LEU 57 2HD2 LEU 57 3.426 -6.975 -0.940 521 3HD2 LEU 57 3HD2 LEU 57 3.826 -8.721 -1.020 522 H ARG 58 H ARG 58 7.108 -4.853 -2.530 523 HA ARG 58 HA ARG 58 8.385 -6.938 -3.939 524 1HB ARG 58 1HB ARG 58 7.259 -4.641 -4.780 525 2HB ARG 58 2HB ARG 58 8.927 -4.156 -4.908 526 1HG ARG 58 1HG ARG 58 7.588 -6.510 -6.276 527 2HG ARG 58 2HG ARG 58 8.233 -5.071 -7.037 528 1HD ARG 58 1HD ARG 58 10.542 -6.001 -5.908 529 2HD ARG 58 2HD ARG 58 9.677 -7.513 -5.985 530 HE ARG 58 HE ARG 58 10.925 -6.027 -8.106 531 1HH1 ARG 58 2HH2 ARG 58 8.177 -8.237 -7.580 532 2HH1 ARG 58 1HH2 ARG 58 8.054 -8.600 -9.284 533 1HH2 ARG 58 2HH1 ARG 58 11.166 -7.141 -10.097 534 2HH2 ARG 58 1HH1 ARG 58 9.898 -8.205 -10.647 535 H GLU 59 H GLU 59 9.909 -3.929 -2.855 536 HA GLU 59 HA GLU 59 12.550 -4.447 -3.539 537 1HB GLU 59 1HB GLU 59 11.615 -3.016 -1.055 538 2HB GLU 59 2HB GLU 59 13.173 -2.784 -1.775 539 1HG GLU 59 1HG GLU 59 10.982 -2.250 -3.679 540 2HG GLU 59 2HG GLU 59 10.849 -1.337 -2.176 541 H ARG 60 H ARG 60 10.742 -5.684 -0.715 542 HA ARG 60 HA ARG 60 13.084 -7.016 0.472 543 1HB ARG 60 1HB ARG 60 10.121 -6.997 1.238 544 2HB ARG 60 2HB ARG 60 11.352 -7.962 2.048 545 1HG ARG 60 1HG ARG 60 12.628 -5.795 2.442 546 2HG ARG 60 2HG ARG 60 11.162 -4.952 1.968 547 1HD ARG 60 1HD ARG 60 9.996 -5.533 3.867 548 2HD ARG 60 2HD ARG 60 10.736 -7.122 3.987 549 HE ARG 60 HE ARG 60 11.622 -4.660 5.207 550 1HH1 ARG 60 2HH2 ARG 60 12.726 -7.936 4.481 551 2HH1 ARG 60 1HH2 ARG 60 14.420 -7.472 4.454 552 1HH2 ARG 60 2HH1 ARG 60 13.664 -4.382 6.120 553 2HH2 ARG 60 1HH1 ARG 60 14.994 -5.409 5.683 554 H GLU 61 H GLU 61 10.930 -7.840 -2.067 555 HA GLU 61 HA GLU 61 10.724 -10.666 -1.503 556 1HB GLU 61 1HB GLU 61 10.448 -9.202 -4.166 557 2HB GLU 61 2HB GLU 61 10.094 -10.898 -3.867 558 1HG GLU 61 1HG GLU 61 8.300 -10.268 -2.265 559 2HG GLU 61 2HG GLU 61 8.696 -8.576 -2.540 560 H LEU 62 H LEU 62 12.876 -8.570 -3.609 561 HA LEU 62 HA LEU 62 14.674 -10.798 -3.954 562 1HB LEU 62 1HB LEU 62 15.510 -8.074 -4.790 563 2HB LEU 62 2HB LEU 62 15.637 -9.612 -5.583 564 HG LEU 62 HG LEU 62 14.299 -8.330 -6.935 565 1HD1 LEU 62 1HD1 LEU 62 12.150 -9.327 -7.166 566 2HD1 LEU 62 2HD1 LEU 62 13.287 -10.579 -6.636 567 3HD1 LEU 62 3HD1 LEU 62 12.137 -9.859 -5.487 568 1HD2 LEU 62 1HD2 LEU 62 12.569 -6.886 -6.441 569 2HD2 LEU 62 2HD2 LEU 62 12.523 -7.466 -4.779 570 3HD2 LEU 62 3HD2 LEU 62 13.902 -6.529 -5.320 571 H GLY 63 H GLY 63 14.680 -7.776 -1.982 572 1HA GLY 63 1HA GLY 63 16.065 -7.820 0.040 573 2HA GLY 63 2HA GLY 63 17.338 -8.638 -0.870 574 H ILE 64 H ILE 64 15.467 -5.912 -2.154 575 HA ILE 64 HA ILE 64 17.720 -4.230 -2.459 576 HB ILE 64 HB ILE 64 14.724 -3.889 -2.588 577 1HG1 ILE 64 1HG1 ILE 64 15.737 -5.431 -4.289 578 2HG1 ILE 64 2HG1 ILE 64 14.796 -4.092 -4.908 579 1HG2 ILE 64 1HG2 ILE 64 15.184 -1.788 -3.957 580 2HG2 ILE 64 2HG2 ILE 64 15.427 -1.703 -2.199 581 3HG2 ILE 64 3HG2 ILE 64 16.828 -1.860 -3.261 582 1HD1 ILE 64 1HD1 ILE 64 16.596 -3.055 -5.859 583 2HD1 ILE 64 2HD1 ILE 64 17.724 -3.629 -4.620 584 3HD1 ILE 64 3HD1 ILE 64 17.194 -4.729 -5.905 585 H ARG 65 H ARG 65 15.762 -5.039 0.226 586 HA ARG 65 HA ARG 65 16.775 -2.783 1.798 587 1HB ARG 65 1HB ARG 65 13.833 -3.603 1.615 588 2HB ARG 65 2HB ARG 65 14.539 -2.874 3.056 589 1HG ARG 65 1HG ARG 65 15.444 -1.149 1.099 590 2HG ARG 65 2HG ARG 65 13.874 -1.601 0.428 591 1HD ARG 65 1HD ARG 65 12.706 -0.634 2.256 592 2HD ARG 65 2HD ARG 65 14.071 -0.793 3.350 593 HE ARG 65 HE ARG 65 13.725 1.223 1.204 594 1HH1 ARG 65 2HH2 ARG 65 15.907 -0.131 3.598 595 2HH1 ARG 65 1HH2 ARG 65 16.949 1.230 3.704 596 1HH2 ARG 65 2HH1 ARG 65 14.958 3.169 1.424 597 2HH2 ARG 65 1HH1 ARG 65 16.246 3.264 2.572 598 H ARG 66 H ARG 66 18.276 -4.287 2.242 599 HA ARG 66 HA ARG 66 17.411 -6.570 3.878 600 1HB ARG 66 1HB ARG 66 20.174 -5.314 3.416 601 2HB ARG 66 2HB ARG 66 19.853 -6.367 4.794 602 1HG ARG 66 1HG ARG 66 18.978 -8.102 3.166 603 2HG ARG 66 2HG ARG 66 19.644 -7.135 1.858 604 1HD ARG 66 1HD ARG 66 21.297 -8.063 4.250 605 2HD ARG 66 2HD ARG 66 21.019 -9.118 2.864 606 HE ARG 66 HE ARG 66 22.016 -6.853 1.702 607 1HH1 ARG 66 2HH2 ARG 66 23.189 -8.927 4.341 608 2HH1 ARG 66 1HH2 ARG 66 24.818 -8.985 3.799 609 1HH2 ARG 66 2HH1 ARG 66 24.245 -6.794 1.073 610 2HH2 ARG 66 1HH1 ARG 66 25.466 -7.647 1.949 Start of MODEL 15 1 1H MET 1 1H MET 1 15.560 10.295 4.422 2 HA MET 1 HA MET 1 15.616 7.942 5.095 3 1HB MET 1 1HB MET 1 13.178 9.629 5.503 4 2HB MET 1 2HB MET 1 13.059 7.926 5.947 5 1HG MET 1 1HG MET 1 13.788 9.263 7.852 6 2HG MET 1 2HG MET 1 15.010 8.081 7.381 7 1HE MET 1 1HE MET 1 16.948 9.217 8.770 8 2HE MET 1 2HE MET 1 17.219 10.971 8.790 9 3HE MET 1 3HE MET 1 15.694 10.300 9.408 10 H LYS 2 H LYS 2 13.366 8.596 2.383 11 HA LYS 2 HA LYS 2 12.336 7.384 0.934 12 1HB LYS 2 1HB LYS 2 14.448 6.007 0.800 13 2HB LYS 2 2HB LYS 2 13.729 4.877 1.932 14 1HG LYS 2 1HG LYS 2 13.402 3.951 -0.196 15 2HG LYS 2 2HG LYS 2 11.812 4.551 0.283 16 1HD LYS 2 1HD LYS 2 12.051 6.487 -1.205 17 2HD LYS 2 2HD LYS 2 13.750 6.084 -1.505 18 1HE LYS 2 1HE LYS 2 12.880 3.820 -2.393 19 2HE LYS 2 2HE LYS 2 11.283 4.572 -2.418 20 1HZ LYS 2 1HZ LYS 2 13.668 5.561 -3.870 21 2HZ LYS 2 2HZ LYS 2 12.441 4.735 -4.562 22 3HZ LYS 2 3HZ LYS 2 12.196 6.256 -3.944 23 H ALA 3 H ALA 3 12.507 5.391 3.916 24 HA ALA 3 HA ALA 3 9.554 5.438 4.150 25 1HB ALA 3 1HB ALA 3 9.924 3.149 5.255 26 2HB ALA 3 2HB ALA 3 9.974 3.200 3.481 27 3HB ALA 3 3HB ALA 3 11.479 3.086 4.418 28 H SER 4 H SER 4 12.348 4.261 5.908 29 HA SER 4 HA SER 4 12.975 4.137 7.964 30 1HB SER 4 1HB SER 4 13.064 6.675 8.036 31 2HB SER 4 2HB SER 4 11.424 6.650 8.710 32 HG SER 4 HG SER 4 13.539 6.524 10.066 33 H GLU 5 H GLU 5 9.837 5.418 7.882 34 HA GLU 5 HA GLU 5 8.830 3.945 10.145 35 1HB GLU 5 1HB GLU 5 6.734 5.032 9.739 36 2HB GLU 5 2HB GLU 5 8.029 6.155 9.337 37 1HG GLU 5 1HG GLU 5 7.632 5.254 6.864 38 2HG GLU 5 2HG GLU 5 6.075 4.747 7.543 39 H LEU 6 H LEU 6 8.200 3.535 6.718 40 HA LEU 6 HA LEU 6 6.675 1.039 7.007 41 1HB LEU 6 1HB LEU 6 7.843 2.710 4.724 42 2HB LEU 6 2HB LEU 6 7.086 1.184 4.427 43 HG LEU 6 HG LEU 6 5.781 3.546 5.858 44 1HD1 LEU 6 1HD1 LEU 6 4.588 3.943 3.770 45 2HD1 LEU 6 2HD1 LEU 6 6.326 4.221 3.677 46 3HD1 LEU 6 3HD1 LEU 6 5.662 2.751 2.953 47 1HD2 LEU 6 1HD2 LEU 6 3.671 2.091 4.905 48 2HD2 LEU 6 2HD2 LEU 6 4.786 0.798 5.445 49 3HD2 LEU 6 3HD2 LEU 6 4.276 2.056 6.550 50 H ARG 7 H ARG 7 10.070 1.689 6.829 51 HA ARG 7 HA ARG 7 10.706 -1.026 5.971 52 1HB ARG 7 1HB ARG 7 12.048 0.744 5.068 53 2HB ARG 7 2HB ARG 7 12.154 1.607 6.585 54 1HG ARG 7 1HG ARG 7 13.316 -1.131 6.332 55 2HG ARG 7 2HG ARG 7 14.159 0.279 5.669 56 1HD ARG 7 1HD ARG 7 14.769 1.081 7.690 57 2HD ARG 7 2HD ARG 7 13.214 0.746 8.436 58 HE ARG 7 HE ARG 7 13.884 -1.595 8.685 59 1HH1 ARG 7 2HH2 ARG 7 16.393 0.860 8.427 60 2HH1 ARG 7 1HH2 ARG 7 17.687 -0.231 8.800 61 1HH2 ARG 7 2HH1 ARG 7 15.490 -2.869 9.703 62 2HH2 ARG 7 1HH1 ARG 7 17.045 -2.228 10.112 63 H ASN 8 H ASN 8 9.573 0.575 8.698 64 HA ASN 8 HA ASN 8 11.443 -0.577 10.617 65 1HB ASN 8 1HB ASN 8 10.151 1.750 10.621 66 2HB ASN 8 2HB ASN 8 8.876 0.812 11.387 67 1HD2 ASN 8 1HD2 ASN 8 8.966 1.263 13.536 68 2HD2 ASN 8 2HD2 ASN 8 10.447 1.399 14.482 69 H TYR 9 H TYR 9 8.316 -1.697 9.291 70 HA TYR 9 HA TYR 9 7.466 -3.003 11.581 71 1HB TYR 9 1HB TYR 9 6.649 -3.009 8.698 72 2HB TYR 9 2HB TYR 9 5.856 -3.991 9.894 73 HD1 TYR 9 HD1 TYR 9 6.303 -0.788 8.308 74 HD2 TYR 9 HD2 TYR 9 4.572 -2.733 11.732 75 HE1 TYR 9 HE1 TYR 9 4.850 1.194 8.695 76 HE2 TYR 9 HE2 TYR 9 3.180 -0.731 12.172 77 HH TYR 9 HH TYR 9 2.851 1.854 9.806 78 H THR 10 H THR 10 7.154 -5.523 11.573 79 HA THR 10 HA THR 10 9.792 -6.723 11.130 80 HB THR 10 HB THR 10 8.876 -8.596 12.171 81 HG1 THR 10 HG1 THR 10 6.660 -8.518 13.017 82 1HG2 THR 10 1HG2 THR 10 7.827 -6.142 13.712 83 2HG2 THR 10 2HG2 THR 10 8.341 -7.680 14.430 84 3HG2 THR 10 3HG2 THR 10 9.539 -6.630 13.638 85 H ASP 11 H ASP 11 9.764 -9.032 10.070 86 HA ASP 11 HA ASP 11 9.025 -8.806 7.371 87 1HB ASP 11 1HB ASP 11 9.498 -11.282 9.064 88 2HB ASP 11 2HB ASP 11 9.148 -11.319 7.321 89 H GLU 12 H GLU 12 7.150 -10.212 10.034 90 HA GLU 12 HA GLU 12 4.891 -10.997 8.416 91 1HB GLU 12 1HB GLU 12 5.239 -10.557 11.417 92 2HB GLU 12 2HB GLU 12 3.797 -11.180 10.639 93 1HG GLU 12 1HG GLU 12 4.653 -13.206 11.071 94 2HG GLU 12 2HG GLU 12 5.607 -12.927 9.618 95 H GLU 13 H GLU 13 5.562 -8.144 10.546 96 HA GLU 13 HA GLU 13 2.896 -7.051 10.285 97 1HB GLU 13 1HB GLU 13 5.577 -6.014 11.165 98 2HB GLU 13 2HB GLU 13 4.244 -4.903 10.975 99 1HG GLU 13 1HG GLU 13 3.605 -7.362 12.551 100 2HG GLU 13 2HG GLU 13 4.834 -6.306 13.261 101 H LEU 14 H LEU 14 5.876 -6.651 8.442 102 HA LEU 14 HA LEU 14 5.209 -4.406 6.883 103 1HB LEU 14 1HB LEU 14 7.002 -6.805 6.366 104 2HB LEU 14 2HB LEU 14 6.943 -5.432 5.262 105 HG LEU 14 HG LEU 14 7.591 -5.062 8.177 106 1HD1 LEU 14 1HD1 LEU 14 9.564 -5.871 6.035 107 2HD1 LEU 14 2HD1 LEU 14 10.032 -5.159 7.587 108 3HD1 LEU 14 3HD1 LEU 14 9.234 -6.710 7.573 109 1HD2 LEU 14 1HD2 LEU 14 8.576 -3.115 7.736 110 2HD2 LEU 14 2HD2 LEU 14 8.787 -3.445 5.974 111 3HD2 LEU 14 3HD2 LEU 14 7.184 -3.096 6.644 112 H LYS 15 H LYS 15 4.974 -7.944 5.890 113 HA LYS 15 HA LYS 15 3.560 -7.394 3.530 114 1HB LYS 15 1HB LYS 15 2.640 -9.674 3.793 115 2HB LYS 15 2HB LYS 15 4.409 -9.567 3.775 116 1HG LYS 15 1HG LYS 15 4.438 -9.799 6.258 117 2HG LYS 15 2HG LYS 15 2.687 -9.910 6.274 118 1HD LYS 15 1HD LYS 15 3.834 -11.878 4.431 119 2HD LYS 15 2HD LYS 15 4.380 -12.064 6.128 120 1HE LYS 15 1HE LYS 15 1.992 -11.911 6.856 121 2HE LYS 15 2HE LYS 15 1.491 -11.880 5.152 122 1HZ LYS 15 1HZ LYS 15 2.865 -14.100 6.556 123 2HZ LYS 15 2HZ LYS 15 1.315 -14.088 6.042 124 3HZ LYS 15 3HZ LYS 15 2.555 -14.096 4.954 125 H ASN 16 H ASN 16 2.334 -8.056 6.865 126 HA ASN 16 HA ASN 16 -0.353 -8.100 5.972 127 1HB ASN 16 1HB ASN 16 0.801 -9.051 8.075 128 2HB ASN 16 2HB ASN 16 0.683 -7.441 8.766 129 1HD2 ASN 16 1HD2 ASN 16 -1.339 -7.113 9.964 130 2HD2 ASN 16 2HD2 ASN 16 -2.768 -8.053 9.659 131 H LEU 17 H LEU 17 1.645 -5.493 6.306 132 HA LEU 17 HA LEU 17 -0.501 -3.451 6.834 133 1HB LEU 17 1HB LEU 17 2.516 -3.527 6.984 134 2HB LEU 17 2HB LEU 17 1.807 -2.040 6.491 135 HG LEU 17 HG LEU 17 2.464 -2.671 9.011 136 1HD1 LEU 17 1HD1 LEU 17 0.068 -0.924 8.370 137 2HD1 LEU 17 2HD1 LEU 17 1.158 -0.804 9.759 138 3HD1 LEU 17 3HD1 LEU 17 1.779 -0.461 8.151 139 1HD2 LEU 17 1HD2 LEU 17 0.560 -3.173 10.405 140 2HD2 LEU 17 2HD2 LEU 17 -0.512 -3.309 9.008 141 3HD2 LEU 17 3HD2 LEU 17 0.798 -4.485 9.255 142 H LEU 18 H LEU 18 2.070 -4.412 4.537 143 HA LEU 18 HA LEU 18 1.350 -2.321 2.707 144 1HB LEU 18 1HB LEU 18 3.077 -4.744 2.022 145 2HB LEU 18 2HB LEU 18 3.146 -3.141 1.346 146 HG LEU 18 HG LEU 18 4.586 -4.321 3.592 147 1HD1 LEU 18 1HD1 LEU 18 6.285 -2.799 3.035 148 2HD1 LEU 18 2HD1 LEU 18 5.660 -3.622 1.613 149 3HD1 LEU 18 3HD1 LEU 18 5.175 -1.974 1.921 150 1HD2 LEU 18 1HD2 LEU 18 4.988 -2.100 4.796 151 2HD2 LEU 18 2HD2 LEU 18 3.480 -1.496 3.998 152 3HD2 LEU 18 3HD2 LEU 18 3.447 -2.840 5.116 153 H GLU 19 H GLU 19 0.749 -5.768 2.955 154 HA GLU 19 HA GLU 19 -0.621 -6.146 0.499 155 1HB GLU 19 1HB GLU 19 -1.155 -8.203 1.362 156 2HB GLU 19 2HB GLU 19 0.275 -7.837 2.269 157 1HG GLU 19 1HG GLU 19 -1.084 -8.704 3.890 158 2HG GLU 19 2HG GLU 19 -1.334 -6.955 4.116 159 H GLU 20 H GLU 20 -1.588 -4.782 3.671 160 HA GLU 20 HA GLU 20 -4.333 -4.709 3.185 161 1HB GLU 20 1HB GLU 20 -3.226 -4.447 5.405 162 2HB GLU 20 2HB GLU 20 -2.782 -2.798 4.973 163 1HG GLU 20 1HG GLU 20 -4.779 -2.796 6.364 164 2HG GLU 20 2HG GLU 20 -5.113 -2.139 4.758 165 H LYS 21 H LYS 21 -1.860 -2.017 2.682 166 HA LYS 21 HA LYS 21 -3.584 -0.203 1.485 167 1HB LYS 21 1HB LYS 21 -0.609 -0.793 1.145 168 2HB LYS 21 2HB LYS 21 -1.335 0.690 0.630 169 1HG LYS 21 1HG LYS 21 -1.135 -0.339 3.465 170 2HG LYS 21 2HG LYS 21 -0.185 0.945 2.801 171 1HD LYS 21 1HD LYS 21 -3.191 1.168 3.175 172 2HD LYS 21 2HD LYS 21 -2.005 1.557 4.406 173 1HE LYS 21 1HE LYS 21 -0.943 3.218 2.810 174 2HE LYS 21 2HE LYS 21 -2.341 2.977 1.738 175 1HZ LYS 21 1HZ LYS 21 -3.742 3.639 3.629 176 2HZ LYS 21 2HZ LYS 21 -2.409 3.907 4.553 177 3HZ LYS 21 3HZ LYS 21 -2.700 4.855 3.277 178 H LYS 22 H LYS 22 -1.378 -2.658 -0.108 179 HA LYS 22 HA LYS 22 -2.236 -2.285 -2.704 180 1HB LYS 22 1HB LYS 22 -0.373 -3.707 -2.041 181 2HB LYS 22 2HB LYS 22 -1.430 -4.840 -1.231 182 1HG LYS 22 1HG LYS 22 -1.588 -4.344 -4.226 183 2HG LYS 22 2HG LYS 22 -0.463 -5.476 -3.501 184 1HD LYS 22 1HD LYS 22 -2.640 -6.483 -2.324 185 2HD LYS 22 2HD LYS 22 -3.477 -5.664 -3.636 186 1HE LYS 22 1HE LYS 22 -3.138 -7.903 -4.300 187 2HE LYS 22 2HE LYS 22 -2.047 -6.912 -5.284 188 1HZ LYS 22 1HZ LYS 22 -1.301 -8.440 -2.872 189 2HZ LYS 22 2HZ LYS 22 -0.991 -8.919 -4.402 190 3HZ LYS 22 3HZ LYS 22 -0.238 -7.588 -3.768 191 H ARG 23 H ARG 23 -3.969 -4.464 -0.335 192 HA ARG 23 HA ARG 23 -6.004 -5.034 -2.302 193 1HB ARG 23 1HB ARG 23 -7.382 -5.879 -0.543 194 2HB ARG 23 2HB ARG 23 -5.756 -6.536 -0.413 195 1HG ARG 23 1HG ARG 23 -5.334 -5.012 1.429 196 2HG ARG 23 2HG ARG 23 -6.975 -4.376 1.375 197 1HD ARG 23 1HD ARG 23 -6.089 -7.219 2.004 198 2HD ARG 23 2HD ARG 23 -6.646 -6.003 3.157 199 HE ARG 23 HE ARG 23 -8.776 -6.231 1.397 200 1HH1 ARG 23 2HH2 ARG 23 -7.068 -8.367 3.644 201 2HH1 ARG 23 1HH2 ARG 23 -8.251 -9.640 3.562 202 1HH2 ARG 23 2HH1 ARG 23 -10.497 -7.717 1.577 203 2HH2 ARG 23 1HH1 ARG 23 -10.322 -9.207 2.400 204 H GLN 24 H GLN 24 -5.995 -2.641 0.489 205 HA GLN 24 HA GLN 24 -8.473 -1.701 0.268 206 1HB GLN 24 1HB GLN 24 -5.846 -0.344 0.917 207 2HB GLN 24 2HB GLN 24 -7.335 0.561 0.846 208 1HG GLN 24 1HG GLN 24 -8.160 -1.476 2.455 209 2HG GLN 24 2HG GLN 24 -6.422 -1.382 2.821 210 1HE2 GLN 24 1HE2 GLN 24 -7.567 -1.034 4.973 211 2HE2 GLN 24 2HE2 GLN 24 -7.716 0.625 5.479 212 H LEU 25 H LEU 25 -5.731 -0.612 -1.813 213 HA LEU 25 HA LEU 25 -7.237 1.460 -3.101 214 1HB LEU 25 1HB LEU 25 -4.949 1.346 -3.464 215 2HB LEU 25 2HB LEU 25 -4.986 -0.344 -3.955 216 HG LEU 25 HG LEU 25 -4.468 1.453 -5.682 217 1HD1 LEU 25 1HD1 LEU 25 -5.441 0.418 -7.537 218 2HD1 LEU 25 2HD1 LEU 25 -5.219 -0.861 -6.341 219 3HD1 LEU 25 3HD1 LEU 25 -6.833 -0.173 -6.632 220 1HD2 LEU 25 1HD2 LEU 25 -7.385 2.125 -5.225 221 2HD2 LEU 25 2HD2 LEU 25 -5.989 3.177 -5.121 222 3HD2 LEU 25 3HD2 LEU 25 -6.598 2.518 -6.683 223 H MET 26 H MET 26 -6.849 -1.986 -3.961 224 HA MET 26 HA MET 26 -8.614 -1.846 -6.215 225 1HB MET 26 1HB MET 26 -7.840 -4.253 -4.520 226 2HB MET 26 2HB MET 26 -8.536 -4.311 -6.128 227 1HG MET 26 1HG MET 26 -6.541 -3.147 -7.041 228 2HG MET 26 2HG MET 26 -5.824 -3.145 -5.429 229 1HE MET 26 1HE MET 26 -7.813 -6.160 -7.239 230 2HE MET 26 2HE MET 26 -6.910 -5.290 -8.505 231 3HE MET 26 3HE MET 26 -6.433 -6.937 -8.031 232 H GLU 27 H GLU 27 -9.319 -1.967 -2.799 233 HA GLU 27 HA GLU 27 -12.035 -3.053 -3.282 234 1HB GLU 27 1HB GLU 27 -11.041 -2.572 -0.523 235 2HB GLU 27 2HB GLU 27 -12.131 -3.817 -1.147 236 1HG GLU 27 1HG GLU 27 -9.737 -4.488 -2.391 237 2HG GLU 27 2HG GLU 27 -9.215 -3.739 -0.863 238 H LEU 28 H LEU 28 -10.382 -0.132 -2.468 239 HA LEU 28 HA LEU 28 -12.727 1.419 -1.674 240 1HB LEU 28 1HB LEU 28 -9.844 1.979 -2.389 241 2HB LEU 28 2HB LEU 28 -11.002 3.271 -2.526 242 HG LEU 28 HG LEU 28 -11.388 3.490 -0.285 243 1HD1 LEU 28 1HD1 LEU 28 -10.228 0.732 0.287 244 2HD1 LEU 28 2HD1 LEU 28 -10.744 1.912 1.505 245 3HD1 LEU 28 3HD1 LEU 28 -11.928 1.236 0.404 246 1HD2 LEU 28 1HD2 LEU 28 -9.181 3.682 0.738 247 2HD2 LEU 28 2HD2 LEU 28 -8.524 2.473 -0.372 248 3HD2 LEU 28 3HD2 LEU 28 -9.044 4.063 -0.976 249 H ARG 29 H ARG 29 -10.744 1.003 -4.604 250 HA ARG 29 HA ARG 29 -12.452 2.565 -6.267 251 1HB ARG 29 1HB ARG 29 -11.361 1.785 -8.141 252 2HB ARG 29 2HB ARG 29 -10.127 1.782 -6.881 253 1HG ARG 29 1HG ARG 29 -10.345 -0.589 -6.593 254 2HG ARG 29 2HG ARG 29 -11.735 -0.683 -7.676 255 1HD ARG 29 1HD ARG 29 -10.213 0.256 -9.527 256 2HD ARG 29 2HD ARG 29 -8.879 -0.218 -8.462 257 HE ARG 29 HE ARG 29 -9.252 -2.391 -8.985 258 1HH1 ARG 29 2HH2 ARG 29 -12.158 -0.590 -10.195 259 2HH1 ARG 29 1HH2 ARG 29 -12.918 -2.061 -10.727 260 1HH2 ARG 29 2HH1 ARG 29 -10.716 -4.260 -9.299 261 2HH2 ARG 29 1HH1 ARG 29 -12.056 -4.055 -10.365 262 H PHE 30 H PHE 30 -12.792 -0.704 -5.057 263 HA PHE 30 HA PHE 30 -14.802 -1.623 -6.874 264 1HB PHE 30 1HB PHE 30 -13.478 -3.152 -5.538 265 2HB PHE 30 2HB PHE 30 -13.998 -2.377 -4.050 266 HD1 PHE 30 HD1 PHE 30 -14.727 -4.994 -6.407 267 HD2 PHE 30 HD2 PHE 30 -16.419 -2.508 -3.313 268 HE1 PHE 30 HE1 PHE 30 -16.603 -6.579 -6.150 269 HE2 PHE 30 HE2 PHE 30 -18.330 -4.076 -3.104 270 HZ PHE 30 HZ PHE 30 -18.450 -6.071 -4.534 271 H GLN 31 H GLN 31 -14.929 0.651 -3.944 272 HA GLN 31 HA GLN 31 -17.762 0.067 -3.637 273 1HB GLN 31 1HB GLN 31 -15.647 1.667 -2.147 274 2HB GLN 31 2HB GLN 31 -17.369 1.912 -1.875 275 1HG GLN 31 1HG GLN 31 -17.065 -0.885 -1.750 276 2HG GLN 31 2HG GLN 31 -15.624 -0.262 -0.972 277 1HE2 GLN 31 1HE2 GLN 31 -19.061 -0.818 -0.700 278 2HE2 GLN 31 2HE2 GLN 31 -19.310 0.000 0.833 279 H LEU 32 H LEU 32 -15.414 2.206 -5.167 280 HA LEU 32 HA LEU 32 -17.222 4.386 -5.652 281 1HB LEU 32 1HB LEU 32 -14.692 4.401 -5.801 282 2HB LEU 32 2HB LEU 32 -14.796 3.487 -7.292 283 HG LEU 32 HG LEU 32 -14.411 5.743 -7.649 284 1HD1 LEU 32 1HD1 LEU 32 -15.747 4.561 -9.383 285 2HD1 LEU 32 2HD1 LEU 32 -17.198 5.390 -8.751 286 3HD1 LEU 32 3HD1 LEU 32 -15.859 6.322 -9.405 287 1HD2 LEU 32 1HD2 LEU 32 -15.680 6.595 -5.581 288 2HD2 LEU 32 2HD2 LEU 32 -15.971 7.567 -7.052 289 3HD2 LEU 32 3HD2 LEU 32 -17.179 6.392 -6.493 290 H ALA 33 H ALA 33 -16.018 1.801 -7.647 291 HA ALA 33 HA ALA 33 -17.682 1.857 -9.902 292 1HB ALA 33 1HB ALA 33 -17.202 -0.613 -10.018 293 2HB ALA 33 2HB ALA 33 -15.743 0.372 -9.762 294 3HB ALA 33 3HB ALA 33 -16.483 -0.532 -8.409 295 H MET 34 H MET 34 -18.393 0.436 -6.620 296 HA MET 34 HA MET 34 -20.875 -0.579 -7.446 297 1HB MET 34 1HB MET 34 -19.570 -0.010 -4.769 298 2HB MET 34 2HB MET 34 -21.159 -0.699 -4.903 299 1HG MET 34 1HG MET 34 -19.121 -2.111 -6.466 300 2HG MET 34 2HG MET 34 -18.863 -2.123 -4.723 301 1HE MET 34 1HE MET 34 -22.399 -2.248 -6.583 302 2HE MET 34 2HE MET 34 -21.242 -3.105 -7.635 303 3HE MET 34 3HE MET 34 -22.515 -4.008 -6.789 304 H GLY 35 H GLY 35 -19.774 2.528 -6.337 305 1HA GLY 35 1HA GLY 35 -20.775 4.510 -6.526 306 2HA GLY 35 2HA GLY 35 -22.399 3.764 -6.682 307 H GLN 36 H GLN 36 -19.740 3.477 -4.264 308 HA GLN 36 HA GLN 36 -21.632 4.288 -2.117 309 1HB GLN 36 1HB GLN 36 -19.552 2.075 -2.009 310 2HB GLN 36 2HB GLN 36 -20.731 2.467 -0.768 311 1HG GLN 36 1HG GLN 36 -21.488 1.473 -3.559 312 2HG GLN 36 2HG GLN 36 -21.101 0.428 -2.207 313 1HE2 GLN 36 1HE2 GLN 36 -23.580 2.643 -3.501 314 2HE2 GLN 36 2HE2 GLN 36 -24.821 1.951 -2.471 315 H LEU 37 H LEU 37 -18.217 3.697 -2.931 316 HA LEU 37 HA LEU 37 -17.074 5.544 -0.995 317 1HB LEU 37 1HB LEU 37 -15.613 3.892 -1.728 318 2HB LEU 37 2HB LEU 37 -15.983 4.198 -3.428 319 HG LEU 37 HG LEU 37 -14.810 6.222 -3.453 320 1HD1 LEU 37 1HD1 LEU 37 -15.193 7.048 -1.057 321 2HD1 LEU 37 2HD1 LEU 37 -14.118 5.778 -0.503 322 3HD1 LEU 37 3HD1 LEU 37 -13.494 7.096 -1.500 323 1HD2 LEU 37 1HD2 LEU 37 -12.508 5.516 -2.874 324 2HD2 LEU 37 2HD2 LEU 37 -13.212 4.050 -2.155 325 3HD2 LEU 37 3HD2 LEU 37 -13.421 4.404 -3.892 326 H LYS 38 H LYS 38 -17.360 7.639 -0.929 327 HA LYS 38 HA LYS 38 -17.905 9.054 -3.469 328 1HB LYS 38 1HB LYS 38 -19.951 8.632 -2.194 329 2HB LYS 38 2HB LYS 38 -19.319 9.603 -0.857 330 1HG LYS 38 1HG LYS 38 -19.362 11.610 -2.199 331 2HG LYS 38 2HG LYS 38 -19.570 10.707 -3.704 332 1HD LYS 38 1HD LYS 38 -21.632 10.612 -1.486 333 2HD LYS 38 2HD LYS 38 -21.588 11.947 -2.653 334 1HE LYS 38 1HE LYS 38 -21.830 10.390 -4.537 335 2HE LYS 38 2HE LYS 38 -21.801 9.013 -3.419 336 1HZ LYS 38 1HZ LYS 38 -23.899 11.107 -3.395 337 2HZ LYS 38 2HZ LYS 38 -24.050 9.647 -4.107 338 3HZ LYS 38 3HZ LYS 38 -23.856 9.730 -2.497 339 H ASN 39 H ASN 39 -15.288 8.675 -2.321 340 HA ASN 39 HA ASN 39 -14.801 11.460 -2.784 341 1HB ASN 39 1HB ASN 39 -14.556 11.404 -0.285 342 2HB ASN 39 2HB ASN 39 -13.197 10.287 -0.479 343 1HD2 ASN 39 1HD2 ASN 39 -12.279 12.519 0.727 344 2HD2 ASN 39 2HD2 ASN 39 -11.692 13.694 -0.441 345 H THR 40 H THR 40 -13.992 11.065 -4.770 346 HA THR 40 HA THR 40 -12.207 8.865 -5.387 347 HB THR 40 HB THR 40 -11.725 10.256 -7.430 348 HG1 THR 40 HG1 THR 40 -13.654 11.997 -6.248 349 1HG2 THR 40 1HG2 THR 40 -13.835 9.725 -8.498 350 2HG2 THR 40 2HG2 THR 40 -13.442 8.447 -7.344 351 3HG2 THR 40 3HG2 THR 40 -14.669 9.672 -6.937 352 H SER 41 H SER 41 -11.622 12.087 -3.994 353 HA SER 41 HA SER 41 -8.810 12.052 -4.602 354 1HB SER 41 1HB SER 41 -10.364 13.659 -2.559 355 2HB SER 41 2HB SER 41 -8.791 14.062 -3.268 356 HG SER 41 HG SER 41 -11.033 14.865 -4.130 357 H LEU 42 H LEU 42 -10.725 10.507 -2.179 358 HA LEU 42 HA LEU 42 -8.465 9.986 -0.356 359 1HB LEU 42 1HB LEU 42 -10.606 9.627 0.588 360 2HB LEU 42 2HB LEU 42 -11.129 8.604 -0.755 361 HG LEU 42 HG LEU 42 -9.590 6.836 -0.143 362 1HD1 LEU 42 1HD1 LEU 42 -8.246 6.860 1.901 363 2HD1 LEU 42 2HD1 LEU 42 -7.682 8.124 0.826 364 3HD1 LEU 42 3HD1 LEU 42 -8.702 8.555 2.221 365 1HD2 LEU 42 1HD2 LEU 42 -11.801 6.906 0.894 366 2HD2 LEU 42 2HD2 LEU 42 -10.617 6.254 2.048 367 3HD2 LEU 42 3HD2 LEU 42 -11.174 7.938 2.196 368 H ILE 43 H ILE 43 -10.102 8.322 -3.127 369 HA ILE 43 HA ILE 43 -8.350 6.138 -3.211 370 HB ILE 43 HB ILE 43 -10.401 7.243 -4.948 371 1HG1 ILE 43 1HG1 ILE 43 -10.459 5.152 -3.597 372 2HG1 ILE 43 2HG1 ILE 43 -11.020 4.991 -5.259 373 1HG2 ILE 43 1HG2 ILE 43 -9.702 6.214 -7.080 374 2HG2 ILE 43 2HG2 ILE 43 -8.715 7.604 -6.638 375 3HG2 ILE 43 3HG2 ILE 43 -8.060 5.979 -6.415 376 1HD1 ILE 43 1HD1 ILE 43 -9.662 3.033 -4.561 377 2HD1 ILE 43 2HD1 ILE 43 -8.907 3.880 -5.892 378 3HD1 ILE 43 3HD1 ILE 43 -8.289 4.097 -4.235 379 H LYS 44 H LYS 44 -7.886 9.324 -4.949 380 HA LYS 44 HA LYS 44 -5.490 8.710 -6.150 381 1HB LYS 44 1HB LYS 44 -6.549 10.738 -6.695 382 2HB LYS 44 2HB LYS 44 -6.708 11.231 -5.014 383 1HG LYS 44 1HG LYS 44 -5.071 12.575 -6.333 384 2HG LYS 44 2HG LYS 44 -4.456 11.895 -4.836 385 1HD LYS 44 1HD LYS 44 -3.880 9.976 -6.860 386 2HD LYS 44 2HD LYS 44 -3.511 11.516 -7.594 387 1HE LYS 44 1HE LYS 44 -2.558 10.945 -4.752 388 2HE LYS 44 2HE LYS 44 -1.729 10.170 -6.102 389 1HZ LYS 44 1HZ LYS 44 -1.234 12.301 -7.045 390 2HZ LYS 44 2HZ LYS 44 -2.048 13.116 -5.874 391 3HZ LYS 44 3HZ LYS 44 -0.681 12.294 -5.503 392 H LEU 45 H LEU 45 -5.904 9.683 -2.618 393 HA LEU 45 HA LEU 45 -3.080 9.976 -2.188 394 1HB LEU 45 1HB LEU 45 -5.641 9.980 -0.563 395 2HB LEU 45 2HB LEU 45 -4.007 9.938 0.087 396 HG LEU 45 HG LEU 45 -5.193 12.180 -1.519 397 1HD1 LEU 45 1HD1 LEU 45 -4.056 11.914 1.279 398 2HD1 LEU 45 2HD1 LEU 45 -4.756 13.402 0.598 399 3HD1 LEU 45 3HD1 LEU 45 -5.784 11.975 0.863 400 1HD2 LEU 45 1HD2 LEU 45 -3.012 13.380 -1.091 401 2HD2 LEU 45 2HD2 LEU 45 -2.305 11.845 -0.564 402 3HD2 LEU 45 3HD2 LEU 45 -2.862 12.086 -2.256 403 H THR 46 H THR 46 -5.652 7.453 -2.133 404 HA THR 46 HA THR 46 -4.096 5.691 -0.469 405 HB THR 46 HB THR 46 -6.260 4.775 -2.395 406 HG1 THR 46 HG1 THR 46 -6.900 6.703 -1.046 407 1HG2 THR 46 1HG2 THR 46 -5.970 2.841 -1.201 408 2HG2 THR 46 2HG2 THR 46 -4.867 3.651 -0.065 409 3HG2 THR 46 3HG2 THR 46 -6.580 3.688 0.226 410 H LYS 47 H LYS 47 -4.675 5.989 -4.035 411 HA LYS 47 HA LYS 47 -2.891 3.983 -4.929 412 1HB LYS 47 1HB LYS 47 -3.538 6.829 -6.016 413 2HB LYS 47 2HB LYS 47 -2.659 5.688 -6.962 414 1HG LYS 47 1HG LYS 47 -5.480 5.118 -6.024 415 2HG LYS 47 2HG LYS 47 -5.142 6.091 -7.451 416 1HD LYS 47 1HD LYS 47 -4.018 3.291 -7.027 417 2HD LYS 47 2HD LYS 47 -5.526 3.660 -7.924 418 1HE LYS 47 1HE LYS 47 -4.598 4.270 -9.754 419 2HE LYS 47 2HE LYS 47 -3.498 5.375 -8.941 420 1HZ LYS 47 1HZ LYS 47 -2.360 3.708 -10.170 421 2HZ LYS 47 2HZ LYS 47 -1.997 3.508 -8.583 422 3HZ LYS 47 3HZ LYS 47 -3.071 2.488 -9.383 423 H ARG 48 H ARG 48 -2.019 7.391 -4.134 424 HA ARG 48 HA ARG 48 0.634 7.144 -5.138 425 1HB ARG 48 1HB ARG 48 0.995 9.234 -4.258 426 2HB ARG 48 2HB ARG 48 -0.775 9.180 -4.197 427 1HG ARG 48 1HG ARG 48 -0.603 8.436 -1.822 428 2HG ARG 48 2HG ARG 48 1.131 8.677 -1.885 429 1HD ARG 48 1HD ARG 48 -0.796 10.926 -2.523 430 2HD ARG 48 2HD ARG 48 -0.598 10.404 -0.864 431 HE ARG 48 HE ARG 48 1.337 11.900 -2.418 432 1HH1 ARG 48 2HH2 ARG 48 1.215 9.466 0.280 433 2HH1 ARG 48 1HH2 ARG 48 2.573 10.134 1.079 434 1HH2 ARG 48 2HH1 ARG 48 3.294 12.488 -1.511 435 2HH2 ARG 48 1HH1 ARG 48 3.899 11.795 -0.039 436 H ASP 49 H ASP 49 -0.744 6.479 -1.873 437 HA ASP 49 HA ASP 49 1.745 5.651 -0.753 438 1HB ASP 49 1HB ASP 49 -1.224 5.663 -0.012 439 2HB ASP 49 2HB ASP 49 -0.133 4.698 0.938 440 H ILE 50 H ILE 50 -1.014 4.010 -2.308 441 HA ILE 50 HA ILE 50 -0.189 1.374 -1.560 442 HB ILE 50 HB ILE 50 -2.010 2.423 -3.702 443 1HG1 ILE 50 1HG1 ILE 50 -3.161 0.215 -2.820 444 2HG1 ILE 50 2HG1 ILE 50 -1.885 0.204 -1.631 445 1HG2 ILE 50 1HG2 ILE 50 -0.711 1.009 -5.235 446 2HG2 ILE 50 2HG2 ILE 50 -0.807 -0.348 -4.085 447 3HG2 ILE 50 3HG2 ILE 50 -2.263 0.267 -4.888 448 1HD1 ILE 50 1HD1 ILE 50 -2.548 2.393 -0.815 449 2HD1 ILE 50 2HD1 ILE 50 -3.678 2.566 -2.223 450 3HD1 ILE 50 3HD1 ILE 50 -3.962 1.371 -0.863 451 H ALA 51 H ALA 51 0.647 3.424 -4.331 452 HA ALA 51 HA ALA 51 2.314 1.400 -5.420 453 1HB ALA 51 1HB ALA 51 2.943 3.056 -6.976 454 2HB ALA 51 2HB ALA 51 1.204 3.259 -6.596 455 3HB ALA 51 3HB ALA 51 2.386 4.386 -5.900 456 H ARG 52 H ARG 52 3.015 4.127 -3.098 457 HA ARG 52 HA ARG 52 5.761 3.645 -2.968 458 1HB ARG 52 1HB ARG 52 5.797 5.007 -1.307 459 2HB ARG 52 2HB ARG 52 4.475 5.650 -2.232 460 1HG ARG 52 1HG ARG 52 3.938 6.123 -0.175 461 2HG ARG 52 2HG ARG 52 3.309 4.488 -0.083 462 1HD ARG 52 1HD ARG 52 4.474 4.281 1.695 463 2HD ARG 52 2HD ARG 52 5.870 4.000 0.646 464 HE ARG 52 HE ARG 52 5.136 6.411 2.290 465 1HH1 ARG 52 2HH2 ARG 52 7.630 4.894 0.216 466 2HH1 ARG 52 1HH2 ARG 52 8.878 5.887 0.901 467 1HH2 ARG 52 2HH1 ARG 52 6.920 7.714 3.121 468 2HH2 ARG 52 1HH1 ARG 52 8.487 7.386 2.506 469 H ILE 53 H ILE 53 3.360 2.651 -0.720 470 HA ILE 53 HA ILE 53 4.813 0.838 0.847 471 HB ILE 53 HB ILE 53 1.860 1.159 0.195 472 1HG1 ILE 53 1HG1 ILE 53 2.739 1.378 2.980 473 2HG1 ILE 53 2HG1 ILE 53 3.698 2.418 1.999 474 1HG2 ILE 53 1HG2 ILE 53 3.097 -0.911 1.970 475 2HG2 ILE 53 2HG2 ILE 53 1.454 -0.325 2.192 476 3HG2 ILE 53 3HG2 ILE 53 1.894 -1.129 0.674 477 1HD1 ILE 53 1HD1 ILE 53 0.722 2.581 1.650 478 2HD1 ILE 53 2HD1 ILE 53 1.462 3.258 3.127 479 3HD1 ILE 53 3HD1 ILE 53 1.959 3.851 1.538 480 H LYS 54 H LYS 54 2.686 -0.113 -1.947 481 HA LYS 54 HA LYS 54 3.474 -2.806 -1.536 482 1HB LYS 54 1HB LYS 54 2.126 -3.363 -3.363 483 2HB LYS 54 2HB LYS 54 1.342 -1.953 -2.723 484 1HG LYS 54 1HG LYS 54 1.392 -1.410 -4.973 485 2HG LYS 54 2HG LYS 54 2.943 -0.648 -4.521 486 1HD LYS 54 1HD LYS 54 4.198 -2.190 -5.681 487 2HD LYS 54 2HD LYS 54 3.078 -3.538 -5.362 488 1HE LYS 54 1HE LYS 54 1.489 -2.678 -6.983 489 2HE LYS 54 2HE LYS 54 2.499 -1.249 -7.286 490 1HZ LYS 54 1HZ LYS 54 2.698 -3.151 -8.877 491 2HZ LYS 54 2HZ LYS 54 4.121 -2.590 -8.289 492 3HZ LYS 54 3HZ LYS 54 3.457 -4.002 -7.720 493 H THR 55 H THR 55 5.020 -0.140 -3.408 494 HA THR 55 HA THR 55 7.005 -1.800 -4.613 495 HB THR 55 HB THR 55 6.633 1.059 -3.932 496 HG1 THR 55 HG1 THR 55 7.348 -0.419 -6.257 497 1HG2 THR 55 1HG2 THR 55 8.745 1.774 -4.847 498 2HG2 THR 55 2HG2 THR 55 8.884 0.977 -3.290 499 3HG2 THR 55 3HG2 THR 55 9.343 0.099 -4.787 500 H ILE 56 H ILE 56 6.772 -0.427 -1.239 501 HA ILE 56 HA ILE 56 9.451 -1.060 -0.529 502 HB ILE 56 HB ILE 56 6.981 -0.992 1.156 503 1HG1 ILE 56 1HG1 ILE 56 8.174 1.098 0.134 504 2HG1 ILE 56 2HG1 ILE 56 7.602 1.080 1.778 505 1HG2 ILE 56 1HG2 ILE 56 8.415 -1.129 3.177 506 2HG2 ILE 56 2HG2 ILE 56 8.373 -2.643 2.275 507 3HG2 ILE 56 3HG2 ILE 56 9.794 -1.614 2.136 508 1HD1 ILE 56 1HD1 ILE 56 10.462 0.481 1.052 509 2HD1 ILE 56 2HD1 ILE 56 9.870 2.098 1.476 510 3HD1 ILE 56 3HD1 ILE 56 9.824 0.808 2.697 511 H LEU 57 H LEU 57 6.559 -3.095 -0.521 512 HA LEU 57 HA LEU 57 7.800 -5.531 0.427 513 1HB LEU 57 1HB LEU 57 5.489 -5.429 0.543 514 2HB LEU 57 2HB LEU 57 5.308 -4.978 -1.152 515 HG LEU 57 HG LEU 57 5.752 -7.149 -1.883 516 1HD1 LEU 57 1HD1 LEU 57 6.314 -9.059 -0.358 517 2HD1 LEU 57 2HD1 LEU 57 7.617 -7.922 -0.669 518 3HD1 LEU 57 3HD1 LEU 57 6.747 -7.853 0.888 519 1HD2 LEU 57 1HD2 LEU 57 4.201 -7.486 0.745 520 2HD2 LEU 57 2HD2 LEU 57 3.523 -6.748 -0.724 521 3HD2 LEU 57 3HD2 LEU 57 4.001 -8.452 -0.728 522 H ARG 58 H ARG 58 7.148 -4.408 -2.818 523 HA ARG 58 HA ARG 58 8.391 -6.437 -4.318 524 1HB ARG 58 1HB ARG 58 7.163 -4.062 -4.922 525 2HB ARG 58 2HB ARG 58 8.814 -3.644 -5.338 526 1HG ARG 58 1HG ARG 58 7.134 -5.929 -6.419 527 2HG ARG 58 2HG ARG 58 7.595 -4.474 -7.288 528 1HD ARG 58 1HD ARG 58 10.014 -5.746 -6.375 529 2HD ARG 58 2HD ARG 58 9.013 -6.997 -7.064 530 HE ARG 58 HE ARG 58 10.418 -4.819 -8.398 531 1HH1 ARG 58 2HH2 ARG 58 7.787 -7.193 -8.755 532 2HH1 ARG 58 1HH2 ARG 58 7.913 -7.247 -10.472 533 1HH2 ARG 58 2HH1 ARG 58 10.624 -4.955 -10.687 534 2HH2 ARG 58 1HH1 ARG 58 9.652 -6.062 -11.544 535 H GLU 59 H GLU 59 9.898 -3.464 -3.116 536 HA GLU 59 HA GLU 59 12.547 -3.887 -4.045 537 1HB GLU 59 1HB GLU 59 11.523 -2.353 -1.634 538 2HB GLU 59 2HB GLU 59 13.125 -2.151 -2.356 539 1HG GLU 59 1HG GLU 59 10.853 -1.815 -4.258 540 2HG GLU 59 2HG GLU 59 10.972 -0.611 -2.958 541 H ARG 60 H ARG 60 10.847 -5.353 -1.373 542 HA ARG 60 HA ARG 60 13.368 -6.323 -0.127 543 1HB ARG 60 1HB ARG 60 10.461 -6.956 0.587 544 2HB ARG 60 2HB ARG 60 11.902 -7.572 1.418 545 1HG ARG 60 1HG ARG 60 12.584 -5.193 1.858 546 2HG ARG 60 2HG ARG 60 11.065 -4.653 1.192 547 1HD ARG 60 1HD ARG 60 10.561 -4.748 3.479 548 2HD ARG 60 2HD ARG 60 9.972 -6.315 2.939 549 HE ARG 60 HE ARG 60 12.768 -6.055 3.935 550 1HH1 ARG 60 2HH2 ARG 60 9.580 -7.867 4.393 551 2HH1 ARG 60 1HH2 ARG 60 10.448 -8.924 5.422 552 1HH2 ARG 60 2HH1 ARG 60 13.477 -7.334 5.711 553 2HH2 ARG 60 1HH1 ARG 60 12.381 -8.595 6.208 554 H GLU 61 H GLU 61 10.945 -7.379 -2.338 555 HA GLU 61 HA GLU 61 11.442 -10.186 -2.274 556 1HB GLU 61 1HB GLU 61 10.439 -8.598 -4.676 557 2HB GLU 61 2HB GLU 61 10.385 -10.344 -4.467 558 1HG GLU 61 1HG GLU 61 8.904 -9.930 -2.433 559 2HG GLU 61 2HG GLU 61 8.807 -8.253 -2.949 560 H LEU 62 H LEU 62 12.736 -7.711 -4.721 561 HA LEU 62 HA LEU 62 14.746 -9.603 -5.480 562 1HB LEU 62 1HB LEU 62 15.265 -6.752 -6.011 563 2HB LEU 62 2HB LEU 62 15.370 -8.144 -7.048 564 HG LEU 62 HG LEU 62 13.791 -7.038 -8.121 565 1HD1 LEU 62 1HD1 LEU 62 12.657 -9.191 -7.306 566 2HD1 LEU 62 2HD1 LEU 62 11.649 -8.088 -6.335 567 3HD1 LEU 62 3HD1 LEU 62 11.694 -7.925 -8.084 568 1HD2 LEU 62 1HD2 LEU 62 13.723 -5.071 -6.920 569 2HD2 LEU 62 2HD2 LEU 62 12.056 -5.561 -7.065 570 3HD2 LEU 62 3HD2 LEU 62 12.915 -5.812 -5.535 571 H GLY 63 H GLY 63 14.560 -7.636 -2.714 572 1HA GLY 63 1HA GLY 63 16.038 -6.828 -1.196 573 2HA GLY 63 2HA GLY 63 17.299 -7.879 -1.874 574 H ILE 64 H ILE 64 15.454 -4.984 -2.783 575 HA ILE 64 HA ILE 64 17.802 -3.736 -3.966 576 HB ILE 64 HB ILE 64 14.851 -3.073 -3.664 577 1HG1 ILE 64 1HG1 ILE 64 15.495 -4.640 -5.460 578 2HG1 ILE 64 2HG1 ILE 64 14.680 -3.181 -6.020 579 1HG2 ILE 64 1HG2 ILE 64 15.717 -0.970 -3.370 580 2HG2 ILE 64 2HG2 ILE 64 16.987 -1.181 -4.610 581 3HG2 ILE 64 3HG2 ILE 64 15.278 -1.026 -5.086 582 1HD1 ILE 64 1HD1 ILE 64 16.805 -2.243 -6.799 583 2HD1 ILE 64 2HD1 ILE 64 17.687 -3.647 -6.144 584 3HD1 ILE 64 3HD1 ILE 64 16.547 -3.854 -7.481 585 H ARG 65 H ARG 65 16.074 -3.798 -0.980 586 HA ARG 65 HA ARG 65 18.081 -2.074 0.272 587 1HB ARG 65 1HB ARG 65 16.112 -1.002 1.599 588 2HB ARG 65 2HB ARG 65 16.635 -0.328 0.066 589 1HG ARG 65 1HG ARG 65 14.257 -0.226 0.086 590 2HG ARG 65 2HG ARG 65 14.723 -1.437 -1.069 591 1HD ARG 65 1HD ARG 65 12.919 -2.425 0.012 592 2HD ARG 65 2HD ARG 65 14.252 -3.171 0.847 593 HE ARG 65 HE ARG 65 12.828 -0.711 1.849 594 1HH1 ARG 65 2HH2 ARG 65 14.426 -3.687 2.856 595 2HH1 ARG 65 1HH2 ARG 65 13.584 -3.867 4.310 596 1HH2 ARG 65 2HH1 ARG 65 11.551 -0.979 3.691 597 2HH2 ARG 65 1HH1 ARG 65 11.878 -2.271 4.808 598 H ARG 66 H ARG 66 18.495 -4.440 0.490 599 HA ARG 66 HA ARG 66 16.821 -6.102 2.023 600 1HB ARG 66 1HB ARG 66 19.463 -6.390 0.997 601 2HB ARG 66 2HB ARG 66 19.585 -6.712 2.735 602 1HG ARG 66 1HG ARG 66 17.403 -8.148 2.336 603 2HG ARG 66 2HG ARG 66 17.904 -8.114 0.645 604 1HD ARG 66 1HD ARG 66 20.029 -9.271 1.309 605 2HD ARG 66 2HD ARG 66 19.509 -9.212 2.994 606 HE ARG 66 HE ARG 66 17.392 -10.360 1.873 607 1HH1 ARG 66 2HH2 ARG 66 20.832 -11.328 1.821 608 2HH1 ARG 66 1HH2 ARG 66 20.487 -12.997 1.751 609 1HH2 ARG 66 2HH1 ARG 66 16.919 -12.552 1.712 610 2HH2 ARG 66 1HH1 ARG 66 18.170 -13.722 1.620 Start of MODEL 16 1 1H MET 1 1H MET 1 12.204 6.279 -4.235 2 HA MET 1 HA MET 1 11.761 7.476 -2.206 3 1HB MET 1 1HB MET 1 9.914 6.455 -3.678 4 2HB MET 1 2HB MET 1 9.671 5.276 -2.399 5 1HG MET 1 1HG MET 1 9.065 6.987 -0.829 6 2HG MET 1 2HG MET 1 9.705 8.267 -1.864 7 1HE MET 1 1HE MET 1 7.102 8.834 -4.605 8 2HE MET 1 2HE MET 1 8.748 9.092 -4.016 9 3HE MET 1 3HE MET 1 8.338 7.585 -4.855 10 H LYS 2 H LYS 2 12.395 7.555 -0.102 11 HA LYS 2 HA LYS 2 13.272 5.162 1.302 12 1HB LYS 2 1HB LYS 2 14.414 7.276 1.655 13 2HB LYS 2 2HB LYS 2 12.907 8.085 2.066 14 1HG LYS 2 1HG LYS 2 12.711 6.914 4.155 15 2HG LYS 2 2HG LYS 2 14.090 5.867 3.773 16 1HD LYS 2 1HD LYS 2 14.271 8.900 4.067 17 2HD LYS 2 2HD LYS 2 14.480 7.757 5.402 18 1HE LYS 2 1HE LYS 2 16.267 6.602 3.973 19 2HE LYS 2 2HE LYS 2 16.198 8.007 2.899 20 1HZ LYS 2 1HZ LYS 2 16.871 9.391 4.763 21 2HZ LYS 2 2HZ LYS 2 16.794 8.105 5.795 22 3HZ LYS 2 3HZ LYS 2 17.919 8.135 4.600 23 H ALA 3 H ALA 3 12.337 4.476 3.406 24 HA ALA 3 HA ALA 3 9.463 5.036 3.809 25 1HB ALA 3 1HB ALA 3 9.664 2.633 4.879 26 2HB ALA 3 2HB ALA 3 9.368 2.833 3.145 27 3HB ALA 3 3HB ALA 3 10.998 2.415 3.745 28 H SER 4 H SER 4 12.084 3.339 5.539 29 HA SER 4 HA SER 4 12.930 3.418 7.536 30 1HB SER 4 1HB SER 4 13.034 6.068 6.791 31 2HB SER 4 2HB SER 4 12.002 6.228 8.209 32 HG SER 4 HG SER 4 13.713 6.040 9.381 33 H GLU 5 H GLU 5 9.753 4.901 7.412 34 HA GLU 5 HA GLU 5 8.893 3.712 9.996 35 1HB GLU 5 1HB GLU 5 6.593 4.437 9.241 36 2HB GLU 5 2HB GLU 5 7.759 5.705 9.576 37 1HG GLU 5 1HG GLU 5 8.089 6.209 7.299 38 2HG GLU 5 2HG GLU 5 7.245 4.798 6.712 39 H LEU 6 H LEU 6 8.053 3.331 6.601 40 HA LEU 6 HA LEU 6 6.435 0.982 7.022 41 1HB LEU 6 1HB LEU 6 7.497 2.603 4.643 42 2HB LEU 6 2HB LEU 6 6.616 1.185 4.357 43 HG LEU 6 HG LEU 6 5.474 3.340 6.165 44 1HD1 LEU 6 1HD1 LEU 6 5.411 3.134 3.146 45 2HD1 LEU 6 2HD1 LEU 6 4.244 4.092 4.088 46 3HD1 LEU 6 3HD1 LEU 6 5.965 4.481 4.171 47 1HD2 LEU 6 1HD2 LEU 6 4.225 1.047 4.590 48 2HD2 LEU 6 2HD2 LEU 6 4.306 1.226 6.350 49 3HD2 LEU 6 3HD2 LEU 6 3.315 2.329 5.411 50 H ARG 7 H ARG 7 9.876 1.135 6.419 51 HA ARG 7 HA ARG 7 9.815 -1.724 5.861 52 1HB ARG 7 1HB ARG 7 11.197 -0.071 4.516 53 2HB ARG 7 2HB ARG 7 12.148 0.273 5.966 54 1HG ARG 7 1HG ARG 7 11.679 -2.567 5.277 55 2HG ARG 7 2HG ARG 7 12.673 -1.656 4.112 56 1HD ARG 7 1HD ARG 7 13.480 -1.200 6.856 57 2HD ARG 7 2HD ARG 7 13.472 -2.928 6.537 58 HE ARG 7 HE ARG 7 15.010 -2.471 4.646 59 1HH1 ARG 7 2HH2 ARG 7 14.954 -0.313 7.501 60 2HH1 ARG 7 1HH2 ARG 7 16.600 0.189 7.311 61 1HH2 ARG 7 2HH1 ARG 7 17.071 -1.867 4.430 62 2HH2 ARG 7 1HH1 ARG 7 17.917 -0.825 5.559 63 H ASN 8 H ASN 8 9.389 0.192 8.523 64 HA ASN 8 HA ASN 8 11.414 -1.100 10.216 65 1HB ASN 8 1HB ASN 8 10.449 1.180 10.843 66 2HB ASN 8 2HB ASN 8 8.912 0.380 11.174 67 1HD2 ASN 8 1HD2 ASN 8 8.675 -0.871 13.122 68 2HD2 ASN 8 2HD2 ASN 8 9.945 -1.074 14.264 69 H TYR 9 H TYR 9 7.982 -1.733 9.311 70 HA TYR 9 HA TYR 9 7.285 -3.257 11.406 71 1HB TYR 9 1HB TYR 9 6.358 -3.141 8.565 72 2HB TYR 9 2HB TYR 9 5.516 -4.041 9.801 73 HD1 TYR 9 HD1 TYR 9 5.961 -1.036 8.037 74 HD2 TYR 9 HD2 TYR 9 4.847 -2.532 11.924 75 HE1 TYR 9 HE1 TYR 9 4.981 1.160 8.586 76 HE2 TYR 9 HE2 TYR 9 3.835 -0.319 12.478 77 HH TYR 9 HH TYR 9 4.027 2.450 10.132 78 H THR 10 H THR 10 7.083 -5.619 11.723 79 HA THR 10 HA THR 10 9.551 -6.948 10.976 80 HB THR 10 HB THR 10 8.693 -8.828 11.978 81 HG1 THR 10 HG1 THR 10 6.574 -9.021 12.779 82 1HG2 THR 10 1HG2 THR 10 9.316 -6.977 13.557 83 2HG2 THR 10 2HG2 THR 10 7.617 -6.470 13.628 84 3HG2 THR 10 3HG2 THR 10 8.104 -8.048 14.288 85 H ASP 11 H ASP 11 9.502 -9.126 9.774 86 HA ASP 11 HA ASP 11 8.462 -8.838 7.149 87 1HB ASP 11 1HB ASP 11 9.402 -11.194 8.756 88 2HB ASP 11 2HB ASP 11 8.703 -11.442 7.155 89 H GLU 12 H GLU 12 6.915 -10.281 10.005 90 HA GLU 12 HA GLU 12 4.561 -11.138 8.509 91 1HB GLU 12 1HB GLU 12 5.269 -10.992 11.451 92 2HB GLU 12 2HB GLU 12 3.665 -11.432 10.888 93 1HG GLU 12 1HG GLU 12 4.270 -13.532 10.540 94 2HG GLU 12 2HG GLU 12 5.462 -13.020 9.341 95 H GLU 13 H GLU 13 5.307 -8.271 10.619 96 HA GLU 13 HA GLU 13 2.657 -7.204 10.485 97 1HB GLU 13 1HB GLU 13 5.395 -5.986 10.923 98 2HB GLU 13 2HB GLU 13 3.941 -5.004 10.934 99 1HG GLU 13 1HG GLU 13 3.051 -6.401 12.770 100 2HG GLU 13 2HG GLU 13 4.555 -7.285 12.856 101 H LEU 14 H LEU 14 5.558 -6.701 8.540 102 HA LEU 14 HA LEU 14 4.836 -4.600 6.873 103 1HB LEU 14 1HB LEU 14 6.562 -7.042 6.254 104 2HB LEU 14 2HB LEU 14 6.428 -5.669 5.159 105 HG LEU 14 HG LEU 14 7.256 -5.263 7.998 106 1HD1 LEU 14 1HD1 LEU 14 9.697 -5.308 7.042 107 2HD1 LEU 14 2HD1 LEU 14 8.942 -6.792 7.515 108 3HD1 LEU 14 3HD1 LEU 14 8.989 -6.361 5.783 109 1HD2 LEU 14 1HD2 LEU 14 8.207 -3.328 7.509 110 2HD2 LEU 14 2HD2 LEU 14 8.348 -3.663 5.735 111 3HD2 LEU 14 3HD2 LEU 14 6.768 -3.304 6.474 112 H LYS 15 H LYS 15 4.582 -8.105 5.999 113 HA LYS 15 HA LYS 15 3.144 -7.694 3.630 114 1HB LYS 15 1HB LYS 15 2.434 -10.001 3.896 115 2HB LYS 15 2HB LYS 15 4.186 -9.782 4.138 116 1HG LYS 15 1HG LYS 15 3.716 -9.825 6.651 117 2HG LYS 15 2HG LYS 15 2.058 -10.331 6.244 118 1HD LYS 15 1HD LYS 15 3.168 -12.166 4.842 119 2HD LYS 15 2HD LYS 15 4.637 -11.832 5.773 120 1HE LYS 15 1HE LYS 15 3.826 -12.999 7.552 121 2HE LYS 15 2HE LYS 15 2.334 -12.039 7.550 122 1HZ LYS 15 1HZ LYS 15 2.879 -14.464 5.978 123 2HZ LYS 15 2HZ LYS 15 1.765 -14.263 7.194 124 3HZ LYS 15 3HZ LYS 15 1.555 -13.512 5.738 125 H ASN 16 H ASN 16 1.926 -8.228 6.996 126 HA ASN 16 HA ASN 16 -0.780 -8.303 6.176 127 1HB ASN 16 1HB ASN 16 0.403 -9.145 8.304 128 2HB ASN 16 2HB ASN 16 0.440 -7.499 8.892 129 1HD2 ASN 16 1HD2 ASN 16 -1.733 -6.496 9.423 130 2HD2 ASN 16 2HD2 ASN 16 -3.075 -7.560 9.773 131 H LEU 17 H LEU 17 1.303 -5.739 6.349 132 HA LEU 17 HA LEU 17 -0.777 -3.609 6.881 133 1HB LEU 17 1HB LEU 17 2.211 -3.725 7.244 134 2HB LEU 17 2HB LEU 17 1.624 -2.281 6.505 135 HG LEU 17 HG LEU 17 -0.118 -2.531 8.683 136 1HD1 LEU 17 1HD1 LEU 17 1.290 -2.896 10.651 137 2HD1 LEU 17 2HD1 LEU 17 1.326 -4.349 9.638 138 3HD1 LEU 17 3HD1 LEU 17 2.693 -3.232 9.621 139 1HD2 LEU 17 1HD2 LEU 17 1.271 -0.702 9.694 140 2HD2 LEU 17 2HD2 LEU 17 2.473 -0.959 8.417 141 3HD2 LEU 17 3HD2 LEU 17 0.828 -0.413 8.020 142 H LEU 18 H LEU 18 1.610 -4.785 4.507 143 HA LEU 18 HA LEU 18 0.946 -2.612 2.669 144 1HB LEU 18 1HB LEU 18 2.515 -5.065 1.842 145 2HB LEU 18 2HB LEU 18 2.638 -3.424 1.291 146 HG LEU 18 HG LEU 18 4.069 -4.877 3.392 147 1HD1 LEU 18 1HD1 LEU 18 4.892 -3.978 1.171 148 2HD1 LEU 18 2HD1 LEU 18 4.987 -2.431 1.966 149 3HD1 LEU 18 3HD1 LEU 18 5.932 -3.786 2.605 150 1HD2 LEU 18 1HD2 LEU 18 3.561 -1.899 3.960 151 2HD2 LEU 18 2HD2 LEU 18 3.054 -3.204 4.959 152 3HD2 LEU 18 3HD2 LEU 18 4.753 -2.980 4.772 153 H GLU 19 H GLU 19 0.275 -6.051 3.080 154 HA GLU 19 HA GLU 19 -1.251 -6.375 0.706 155 1HB GLU 19 1HB GLU 19 -1.849 -8.409 1.561 156 2HB GLU 19 2HB GLU 19 -0.369 -8.093 2.431 157 1HG GLU 19 1HG GLU 19 -1.365 -8.675 4.213 158 2HG GLU 19 2HG GLU 19 -2.155 -7.098 4.233 159 H GLU 20 H GLU 20 -2.006 -4.853 3.840 160 HA GLU 20 HA GLU 20 -4.768 -4.444 3.501 161 1HB GLU 20 1HB GLU 20 -3.655 -4.198 5.643 162 2HB GLU 20 2HB GLU 20 -2.820 -2.768 5.060 163 1HG GLU 20 1HG GLU 20 -4.595 -1.903 6.303 164 2HG GLU 20 2HG GLU 20 -5.045 -1.649 4.612 165 H LYS 21 H LYS 21 -2.004 -2.055 2.703 166 HA LYS 21 HA LYS 21 -3.694 -0.191 1.513 167 1HB LYS 21 1HB LYS 21 -0.763 -0.927 1.019 168 2HB LYS 21 2HB LYS 21 -1.478 0.589 0.558 169 1HG LYS 21 1HG LYS 21 -1.051 -0.457 3.354 170 2HG LYS 21 2HG LYS 21 -0.190 0.857 2.602 171 1HD LYS 21 1HD LYS 21 -3.170 1.069 3.187 172 2HD LYS 21 2HD LYS 21 -1.945 1.347 4.408 173 1HE LYS 21 1HE LYS 21 -1.231 2.758 1.982 174 2HE LYS 21 2HE LYS 21 -2.879 3.197 2.461 175 1HZ LYS 21 1HZ LYS 21 -0.552 3.314 4.283 176 2HZ LYS 21 2HZ LYS 21 -1.109 4.611 3.479 177 3HZ LYS 21 3HZ LYS 21 -2.067 3.836 4.604 178 H LYS 22 H LYS 22 -1.720 -2.839 -0.035 179 HA LYS 22 HA LYS 22 -2.568 -2.544 -2.595 180 1HB LYS 22 1HB LYS 22 -0.830 -4.067 -1.793 181 2HB LYS 22 2HB LYS 22 -2.043 -5.098 -1.033 182 1HG LYS 22 1HG LYS 22 -2.998 -5.642 -3.241 183 2HG LYS 22 2HG LYS 22 -1.789 -4.591 -4.019 184 1HD LYS 22 1HD LYS 22 0.028 -6.028 -3.276 185 2HD LYS 22 2HD LYS 22 -1.072 -6.934 -2.225 186 1HE LYS 22 1HE LYS 22 -0.756 -8.302 -4.118 187 2HE LYS 22 2HE LYS 22 -2.382 -7.632 -4.232 188 1HZ LYS 22 1HZ LYS 22 -1.387 -7.542 -6.321 189 2HZ LYS 22 2HZ LYS 22 -1.452 -5.991 -5.819 190 3HZ LYS 22 3HZ LYS 22 -0.013 -6.837 -5.785 191 H ARG 23 H ARG 23 -4.456 -4.369 -0.048 192 HA ARG 23 HA ARG 23 -6.576 -5.084 -1.905 193 1HB ARG 23 1HB ARG 23 -7.800 -5.878 0.004 194 2HB ARG 23 2HB ARG 23 -6.131 -6.433 0.129 195 1HG ARG 23 1HG ARG 23 -5.737 -4.620 1.712 196 2HG ARG 23 2HG ARG 23 -7.446 -4.185 1.742 197 1HD ARG 23 1HD ARG 23 -6.062 -6.685 2.713 198 2HD ARG 23 2HD ARG 23 -6.879 -5.474 3.696 199 HE ARG 23 HE ARG 23 -8.995 -6.120 2.644 200 1HH1 ARG 23 2HH2 ARG 23 -6.368 -8.484 3.058 201 2HH1 ARG 23 1HH2 ARG 23 -7.438 -9.849 2.992 202 1HH2 ARG 23 2HH1 ARG 23 -10.322 -7.870 2.293 203 2HH2 ARG 23 1HH1 ARG 23 -9.832 -9.482 2.700 204 H GLN 24 H GLN 24 -6.269 -2.536 0.663 205 HA GLN 24 HA GLN 24 -8.741 -1.449 0.556 206 1HB GLN 24 1HB GLN 24 -5.998 -0.284 1.055 207 2HB GLN 24 2HB GLN 24 -7.396 0.754 0.936 208 1HG GLN 24 1HG GLN 24 -8.519 -0.713 2.712 209 2HG GLN 24 2HG GLN 24 -6.925 -1.421 2.955 210 1HE2 GLN 24 1HE2 GLN 24 -7.254 -0.670 5.163 211 2HE2 GLN 24 2HE2 GLN 24 -6.900 0.995 5.639 212 H LEU 25 H LEU 25 -5.977 -0.718 -1.660 213 HA LEU 25 HA LEU 25 -7.387 1.256 -3.200 214 1HB LEU 25 1HB LEU 25 -5.067 0.996 -3.340 215 2HB LEU 25 2HB LEU 25 -5.186 -0.706 -3.775 216 HG LEU 25 HG LEU 25 -4.387 0.930 -5.524 217 1HD1 LEU 25 1HD1 LEU 25 -6.878 -0.490 -6.528 218 2HD1 LEU 25 2HD1 LEU 25 -5.389 -0.128 -7.384 219 3HD1 LEU 25 3HD1 LEU 25 -5.371 -1.340 -6.109 220 1HD2 LEU 25 1HD2 LEU 25 -5.897 2.457 -6.587 221 2HD2 LEU 25 2HD2 LEU 25 -7.275 1.756 -5.744 222 3HD2 LEU 25 3HD2 LEU 25 -6.089 2.704 -4.815 223 H MET 26 H MET 26 -6.988 -2.315 -3.837 224 HA MET 26 HA MET 26 -8.477 -2.345 -6.132 225 1HB MET 26 1HB MET 26 -6.765 -3.970 -5.066 226 2HB MET 26 2HB MET 26 -8.124 -4.627 -4.131 227 1HG MET 26 1HG MET 26 -9.296 -5.091 -6.222 228 2HG MET 26 2HG MET 26 -7.966 -4.304 -7.099 229 1HE MET 26 1HE MET 26 -8.397 -7.226 -4.376 230 2HE MET 26 2HE MET 26 -9.477 -7.511 -5.759 231 3HE MET 26 3HE MET 26 -8.109 -8.600 -5.460 232 H GLU 27 H GLU 27 -9.568 -2.365 -2.815 233 HA GLU 27 HA GLU 27 -12.284 -3.360 -3.578 234 1HB GLU 27 1HB GLU 27 -12.722 -3.699 -1.336 235 2HB GLU 27 2HB GLU 27 -11.028 -4.169 -1.530 236 1HG GLU 27 1HG GLU 27 -10.372 -1.976 -0.624 237 2HG GLU 27 2HG GLU 27 -12.069 -1.563 -0.372 238 H LEU 28 H LEU 28 -10.641 -0.414 -2.524 239 HA LEU 28 HA LEU 28 -12.999 1.207 -2.345 240 1HB LEU 28 1HB LEU 28 -10.058 1.644 -2.639 241 2HB LEU 28 2HB LEU 28 -11.103 2.985 -2.948 242 HG LEU 28 HG LEU 28 -11.856 3.224 -0.784 243 1HD1 LEU 28 1HD1 LEU 28 -12.475 0.946 -0.121 244 2HD1 LEU 28 2HD1 LEU 28 -10.766 0.513 0.055 245 3HD1 LEU 28 3HD1 LEU 28 -11.483 1.727 1.107 246 1HD2 LEU 28 1HD2 LEU 28 -9.002 2.245 -0.467 247 2HD2 LEU 28 2HD2 LEU 28 -9.453 3.823 -1.197 248 3HD2 LEU 28 3HD2 LEU 28 -9.812 3.465 0.513 249 H ARG 29 H ARG 29 -10.725 0.495 -4.993 250 HA ARG 29 HA ARG 29 -12.149 2.132 -6.882 251 1HB ARG 29 1HB ARG 29 -11.069 1.036 -8.699 252 2HB ARG 29 2HB ARG 29 -9.899 1.339 -7.420 253 1HG ARG 29 1HG ARG 29 -9.926 -0.943 -6.771 254 2HG ARG 29 2HG ARG 29 -11.270 -1.360 -7.833 255 1HD ARG 29 1HD ARG 29 -8.618 -0.303 -8.900 256 2HD ARG 29 2HD ARG 29 -8.949 -2.018 -8.627 257 HE ARG 29 HE ARG 29 -10.961 -0.613 -10.266 258 1HH1 ARG 29 2HH2 ARG 29 -7.889 -2.420 -10.401 259 2HH1 ARG 29 1HH2 ARG 29 -8.245 -3.129 -11.931 260 1HH2 ARG 29 2HH1 ARG 29 -11.461 -1.695 -12.238 261 2HH2 ARG 29 1HH1 ARG 29 -10.212 -2.574 -13.060 262 H PHE 30 H PHE 30 -12.878 -1.059 -5.640 263 HA PHE 30 HA PHE 30 -14.941 -1.717 -7.552 264 1HB PHE 30 1HB PHE 30 -13.948 -3.531 -6.442 265 2HB PHE 30 2HB PHE 30 -13.920 -2.754 -4.922 266 HD1 PHE 30 HD1 PHE 30 -15.841 -5.006 -7.007 267 HD2 PHE 30 HD2 PHE 30 -15.956 -2.477 -3.514 268 HE1 PHE 30 HE1 PHE 30 -17.717 -6.331 -6.101 269 HE2 PHE 30 HE2 PHE 30 -17.876 -3.785 -2.641 270 HZ PHE 30 HZ PHE 30 -18.719 -5.742 -3.902 271 H GLN 31 H GLN 31 -14.886 0.300 -4.472 272 HA GLN 31 HA GLN 31 -17.752 0.300 -4.201 273 1HB GLN 31 1HB GLN 31 -15.391 1.763 -2.919 274 2HB GLN 31 2HB GLN 31 -17.056 2.142 -2.556 275 1HG GLN 31 1HG GLN 31 -16.772 -0.711 -2.284 276 2HG GLN 31 2HG GLN 31 -15.380 0.036 -1.503 277 1HE2 GLN 31 1HE2 GLN 31 -15.868 0.030 0.787 278 2HE2 GLN 31 2HE2 GLN 31 -17.473 0.464 1.353 279 H LEU 32 H LEU 32 -15.028 2.282 -5.411 280 HA LEU 32 HA LEU 32 -16.523 4.564 -6.080 281 1HB LEU 32 1HB LEU 32 -13.956 4.280 -5.939 282 2HB LEU 32 2HB LEU 32 -14.048 3.550 -7.539 283 HG LEU 32 HG LEU 32 -15.151 5.680 -8.365 284 1HD1 LEU 32 1HD1 LEU 32 -16.007 6.559 -6.191 285 2HD1 LEU 32 2HD1 LEU 32 -14.348 6.714 -5.588 286 3HD1 LEU 32 3HD1 LEU 32 -14.921 7.709 -6.943 287 1HD2 LEU 32 1HD2 LEU 32 -12.739 5.173 -8.632 288 2HD2 LEU 32 2HD2 LEU 32 -13.079 6.893 -8.535 289 3HD2 LEU 32 3HD2 LEU 32 -12.401 6.059 -7.115 290 H ALA 33 H ALA 33 -15.616 1.714 -8.071 291 HA ALA 33 HA ALA 33 -16.917 2.527 -10.445 292 1HB ALA 33 1HB ALA 33 -15.273 0.757 -10.463 293 2HB ALA 33 2HB ALA 33 -16.185 -0.177 -9.254 294 3HB ALA 33 3HB ALA 33 -16.839 0.008 -10.884 295 H MET 34 H MET 34 -18.213 1.050 -7.471 296 HA MET 34 HA MET 34 -20.845 0.598 -8.670 297 1HB MET 34 1HB MET 34 -19.465 0.103 -6.020 298 2HB MET 34 2HB MET 34 -21.223 0.110 -6.108 299 1HG MET 34 1HG MET 34 -19.910 -1.409 -8.272 300 2HG MET 34 2HG MET 34 -19.685 -2.084 -6.662 301 1HE MET 34 1HE MET 34 -22.701 -3.855 -8.833 302 2HE MET 34 2HE MET 34 -21.472 -2.823 -9.595 303 3HE MET 34 3HE MET 34 -20.981 -4.029 -8.375 304 H GLY 35 H GLY 35 -19.135 3.285 -7.354 305 1HA GLY 35 1HA GLY 35 -19.761 5.410 -7.233 306 2HA GLY 35 2HA GLY 35 -21.452 4.991 -7.643 307 H GLN 36 H GLN 36 -19.281 3.713 -5.062 308 HA GLN 36 HA GLN 36 -21.344 4.509 -3.101 309 1HB GLN 36 1HB GLN 36 -19.247 2.339 -2.903 310 2HB GLN 36 2HB GLN 36 -20.658 2.535 -1.870 311 1HG GLN 36 1HG GLN 36 -20.787 1.962 -4.861 312 2HG GLN 36 2HG GLN 36 -20.692 0.698 -3.659 313 1HE2 GLN 36 1HE2 GLN 36 -22.915 2.550 -5.495 314 2HE2 GLN 36 2HE2 GLN 36 -24.326 2.260 -4.502 315 H LEU 37 H LEU 37 -17.947 4.458 -3.871 316 HA LEU 37 HA LEU 37 -16.882 5.156 -1.349 317 1HB LEU 37 1HB LEU 37 -15.774 4.122 -3.373 318 2HB LEU 37 2HB LEU 37 -15.609 5.750 -4.017 319 HG LEU 37 HG LEU 37 -14.560 4.842 -1.298 320 1HD1 LEU 37 1HD1 LEU 37 -13.195 4.858 -3.993 321 2HD1 LEU 37 2HD1 LEU 37 -12.349 4.745 -2.428 322 3HD1 LEU 37 3HD1 LEU 37 -13.530 3.510 -2.894 323 1HD2 LEU 37 1HD2 LEU 37 -14.301 7.393 -2.880 324 2HD2 LEU 37 2HD2 LEU 37 -14.452 7.144 -1.119 325 3HD2 LEU 37 3HD2 LEU 37 -12.928 6.841 -1.882 326 H LYS 38 H LYS 38 -16.616 7.009 -0.296 327 HA LYS 38 HA LYS 38 -18.242 9.158 -0.758 328 1HB LYS 38 1HB LYS 38 -16.781 8.278 1.296 329 2HB LYS 38 2HB LYS 38 -15.752 9.643 0.880 330 1HG LYS 38 1HG LYS 38 -18.768 9.898 1.250 331 2HG LYS 38 2HG LYS 38 -17.673 9.884 2.631 332 1HD LYS 38 1HD LYS 38 -16.642 11.945 1.968 333 2HD LYS 38 2HD LYS 38 -17.382 11.886 0.370 334 1HE LYS 38 1HE LYS 38 -18.514 13.504 1.837 335 2HE LYS 38 2HE LYS 38 -19.597 12.223 1.280 336 1HZ LYS 38 1HZ LYS 38 -19.415 11.174 3.420 337 2HZ LYS 38 2HZ LYS 38 -18.362 12.376 3.960 338 3HZ LYS 38 3HZ LYS 38 -19.891 12.727 3.582 339 H ASN 39 H ASN 39 -14.675 9.208 -1.595 340 HA ASN 39 HA ASN 39 -15.350 11.274 -3.578 341 1HB ASN 39 1HB ASN 39 -14.705 12.425 -1.333 342 2HB ASN 39 2HB ASN 39 -13.082 11.803 -1.631 343 1HD2 ASN 39 1HD2 ASN 39 -15.644 13.974 -2.828 344 2HD2 ASN 39 2HD2 ASN 39 -14.630 14.850 -3.942 345 H THR 40 H THR 40 -13.842 11.297 -5.362 346 HA THR 40 HA THR 40 -12.204 9.025 -5.858 347 HB THR 40 HB THR 40 -11.462 10.523 -7.754 348 HG1 THR 40 HG1 THR 40 -12.036 12.550 -7.666 349 1HG2 THR 40 1HG2 THR 40 -13.334 9.000 -8.068 350 2HG2 THR 40 2HG2 THR 40 -14.465 10.130 -7.294 351 3HG2 THR 40 3HG2 THR 40 -13.722 10.530 -8.848 352 H SER 41 H SER 41 -11.392 12.179 -4.405 353 HA SER 41 HA SER 41 -8.573 11.944 -4.725 354 1HB SER 41 1HB SER 41 -10.254 13.353 -2.630 355 2HB SER 41 2HB SER 41 -8.489 13.458 -2.715 356 HG SER 41 HG SER 41 -10.336 14.304 -4.740 357 H LEU 42 H LEU 42 -10.792 10.288 -2.471 358 HA LEU 42 HA LEU 42 -8.783 9.392 -0.621 359 1HB LEU 42 1HB LEU 42 -10.978 9.293 0.101 360 2HB LEU 42 2HB LEU 42 -11.509 8.369 -1.292 361 HG LEU 42 HG LEU 42 -10.308 6.391 -0.551 362 1HD1 LEU 42 1HD1 LEU 42 -9.518 7.907 1.979 363 2HD1 LEU 42 2HD1 LEU 42 -9.151 6.212 1.534 364 3HD1 LEU 42 3HD1 LEU 42 -8.383 7.547 0.690 365 1HD2 LEU 42 1HD2 LEU 42 -12.595 6.839 0.338 366 2HD2 LEU 42 2HD2 LEU 42 -11.607 5.913 1.472 367 3HD2 LEU 42 3HD2 LEU 42 -11.874 7.653 1.732 368 H ILE 43 H ILE 43 -10.089 7.863 -3.723 369 HA ILE 43 HA ILE 43 -8.286 5.668 -3.507 370 HB ILE 43 HB ILE 43 -9.944 6.811 -5.689 371 1HG1 ILE 43 1HG1 ILE 43 -10.481 4.879 -4.076 372 2HG1 ILE 43 2HG1 ILE 43 -10.810 4.578 -5.769 373 1HG2 ILE 43 1HG2 ILE 43 -8.835 5.311 -7.420 374 2HG2 ILE 43 2HG2 ILE 43 -7.946 6.770 -7.003 375 3HG2 ILE 43 3HG2 ILE 43 -7.421 5.216 -6.337 376 1HD1 ILE 43 1HD1 ILE 43 -9.737 2.629 -4.712 377 2HD1 ILE 43 2HD1 ILE 43 -8.797 3.268 -6.035 378 3HD1 ILE 43 3HD1 ILE 43 -8.310 3.597 -4.346 379 H LYS 44 H LYS 44 -7.857 8.862 -5.280 380 HA LYS 44 HA LYS 44 -5.309 8.307 -6.170 381 1HB LYS 44 1HB LYS 44 -6.273 10.235 -6.972 382 2HB LYS 44 2HB LYS 44 -6.774 10.830 -5.394 383 1HG LYS 44 1HG LYS 44 -3.853 10.564 -5.980 384 2HG LYS 44 2HG LYS 44 -4.699 11.885 -6.731 385 1HD LYS 44 1HD LYS 44 -4.858 13.098 -4.920 386 2HD LYS 44 2HD LYS 44 -5.362 11.784 -3.870 387 1HE LYS 44 1HE LYS 44 -3.138 11.133 -3.372 388 2HE LYS 44 2HE LYS 44 -2.489 11.988 -4.782 389 1HZ LYS 44 1HZ LYS 44 -3.469 13.280 -2.282 390 2HZ LYS 44 2HZ LYS 44 -1.969 13.368 -2.954 391 3HZ LYS 44 3HZ LYS 44 -3.186 14.083 -3.698 392 H LEU 45 H LEU 45 -6.096 9.356 -2.766 393 HA LEU 45 HA LEU 45 -3.496 9.862 -1.950 394 1HB LEU 45 1HB LEU 45 -5.533 10.966 -1.187 395 2HB LEU 45 2HB LEU 45 -6.310 9.447 -0.800 396 HG LEU 45 HG LEU 45 -5.449 10.946 1.020 397 1HD1 LEU 45 1HD1 LEU 45 -4.512 8.041 1.241 398 2HD1 LEU 45 2HD1 LEU 45 -5.090 9.099 2.530 399 3HD1 LEU 45 3HD1 LEU 45 -6.218 8.539 1.310 400 1HD2 LEU 45 1HD2 LEU 45 -2.802 9.626 0.472 401 2HD2 LEU 45 2HD2 LEU 45 -3.254 11.205 -0.186 402 3HD2 LEU 45 3HD2 LEU 45 -3.152 10.972 1.581 403 H THR 46 H THR 46 -5.815 7.057 -1.899 404 HA THR 46 HA THR 46 -4.225 5.625 0.054 405 HB THR 46 HB THR 46 -6.526 4.939 -1.872 406 HG1 THR 46 HG1 THR 46 -7.238 6.352 -0.445 407 1HG2 THR 46 1HG2 THR 46 -6.994 3.203 -0.091 408 2HG2 THR 46 2HG2 THR 46 -5.745 2.841 -1.314 409 3HG2 THR 46 3HG2 THR 46 -5.282 3.357 0.352 410 H LYS 47 H LYS 47 -4.806 5.607 -3.423 411 HA LYS 47 HA LYS 47 -2.929 3.589 -4.222 412 1HB LYS 47 1HB LYS 47 -4.105 3.505 -5.839 413 2HB LYS 47 2HB LYS 47 -5.185 4.655 -5.152 414 1HG LYS 47 1HG LYS 47 -4.775 5.871 -6.973 415 2HG LYS 47 2HG LYS 47 -3.301 6.317 -6.046 416 1HD LYS 47 1HD LYS 47 -2.108 4.414 -6.992 417 2HD LYS 47 2HD LYS 47 -3.555 3.852 -7.772 418 1HE LYS 47 1HE LYS 47 -1.726 5.190 -9.208 419 2HE LYS 47 2HE LYS 47 -3.455 5.136 -9.566 420 1HZ LYS 47 1HZ LYS 47 -3.754 7.255 -8.564 421 2HZ LYS 47 2HZ LYS 47 -2.182 7.371 -8.081 422 3HZ LYS 47 3HZ LYS 47 -2.591 7.365 -9.686 423 H ARG 48 H ARG 48 -2.350 7.040 -3.684 424 HA ARG 48 HA ARG 48 0.235 6.942 -4.908 425 1HB ARG 48 1HB ARG 48 0.569 9.027 -3.990 426 2HB ARG 48 2HB ARG 48 -1.161 8.886 -3.656 427 1HG ARG 48 1HG ARG 48 -0.499 8.012 -1.347 428 2HG ARG 48 2HG ARG 48 1.134 8.529 -1.729 429 1HD ARG 48 1HD ARG 48 0.247 10.872 -1.803 430 2HD ARG 48 2HD ARG 48 -1.387 10.217 -1.463 431 HE ARG 48 HE ARG 48 -0.542 9.265 0.604 432 1HH1 ARG 48 2HH2 ARG 48 1.701 11.816 -0.526 433 2HH1 ARG 48 1HH2 ARG 48 2.791 11.527 0.772 434 1HH2 ARG 48 2HH1 ARG 48 1.033 8.708 1.917 435 2HH2 ARG 48 1HH1 ARG 48 2.369 9.732 2.337 436 H ASP 49 H ASP 49 -0.976 6.116 -1.706 437 HA ASP 49 HA ASP 49 1.507 5.360 -0.601 438 1HB ASP 49 1HB ASP 49 -1.371 5.493 0.154 439 2HB ASP 49 2HB ASP 49 -0.533 4.148 0.875 440 H ILE 50 H ILE 50 -1.182 3.571 -2.183 441 HA ILE 50 HA ILE 50 -0.120 0.987 -1.537 442 HB ILE 50 HB ILE 50 -1.833 1.916 -3.883 443 1HG1 ILE 50 1HG1 ILE 50 -3.172 -0.115 -2.923 444 2HG1 ILE 50 2HG1 ILE 50 -1.966 -0.116 -1.644 445 1HG2 ILE 50 1HG2 ILE 50 -2.068 -0.292 -4.832 446 2HG2 ILE 50 2HG2 ILE 50 -0.442 0.304 -5.083 447 3HG2 ILE 50 3HG2 ILE 50 -0.765 -0.913 -3.808 448 1HD1 ILE 50 1HD1 ILE 50 -2.597 2.042 -0.907 449 2HD1 ILE 50 2HD1 ILE 50 -3.507 2.342 -2.484 450 3HD1 ILE 50 3HD1 ILE 50 -4.093 1.214 -1.181 451 H ALA 51 H ALA 51 0.450 3.023 -4.430 452 HA ALA 51 HA ALA 51 2.352 1.057 -5.336 453 1HB ALA 51 1HB ALA 51 0.866 2.448 -6.718 454 2HB ALA 51 2HB ALA 51 1.598 3.917 -6.115 455 3HB ALA 51 3HB ALA 51 2.581 2.823 -7.159 456 H ARG 52 H ARG 52 2.650 3.347 -2.880 457 HA ARG 52 HA ARG 52 5.596 3.262 -3.025 458 1HB ARG 52 1HB ARG 52 4.286 5.334 -2.345 459 2HB ARG 52 2HB ARG 52 3.744 4.494 -0.907 460 1HG ARG 52 1HG ARG 52 6.679 4.983 -1.527 461 2HG ARG 52 2HG ARG 52 5.639 6.175 -0.740 462 1HD ARG 52 1HD ARG 52 5.115 4.410 1.031 463 2HD ARG 52 2HD ARG 52 6.433 3.460 0.312 464 HE ARG 52 HE ARG 52 8.011 5.021 0.989 465 1HH1 ARG 52 2HH2 ARG 52 4.743 6.136 2.200 466 2HH1 ARG 52 1HH2 ARG 52 5.459 7.268 3.250 467 1HH2 ARG 52 2HH1 ARG 52 8.791 6.730 2.385 468 2HH2 ARG 52 1HH1 ARG 52 7.659 7.563 3.433 469 H ILE 53 H ILE 53 3.137 2.295 -0.587 470 HA ILE 53 HA ILE 53 4.732 0.529 0.945 471 HB ILE 53 HB ILE 53 1.755 0.902 0.441 472 1HG1 ILE 53 1HG1 ILE 53 2.302 1.275 3.146 473 2HG1 ILE 53 2HG1 ILE 53 3.774 1.875 2.419 474 1HG2 ILE 53 1HG2 ILE 53 1.501 -0.603 2.522 475 2HG2 ILE 53 2HG2 ILE 53 1.740 -1.347 0.944 476 3HG2 ILE 53 3HG2 ILE 53 3.099 -1.197 2.075 477 1HD1 ILE 53 1HD1 ILE 53 2.560 3.551 1.211 478 2HD1 ILE 53 2HD1 ILE 53 1.003 2.730 1.535 479 3HD1 ILE 53 3HD1 ILE 53 1.890 3.529 2.852 480 H LYS 54 H LYS 54 2.452 -0.342 -1.679 481 HA LYS 54 HA LYS 54 3.010 -3.035 -1.341 482 1HB LYS 54 1HB LYS 54 1.611 -3.402 -3.226 483 2HB LYS 54 2HB LYS 54 1.023 -1.923 -2.628 484 1HG LYS 54 1HG LYS 54 1.181 -1.501 -4.913 485 2HG LYS 54 2HG LYS 54 2.801 -0.929 -4.475 486 1HD LYS 54 1HD LYS 54 3.824 -2.919 -5.309 487 2HD LYS 54 2HD LYS 54 2.286 -3.798 -5.315 488 1HE LYS 54 1HE LYS 54 2.468 -3.385 -7.541 489 2HE LYS 54 2HE LYS 54 1.523 -1.981 -7.039 490 1HZ LYS 54 1HZ LYS 54 4.394 -2.128 -7.711 491 2HZ LYS 54 2HZ LYS 54 3.246 -1.218 -8.416 492 3HZ LYS 54 3HZ LYS 54 3.800 -0.832 -6.898 493 H THR 55 H THR 55 4.786 -0.539 -3.115 494 HA THR 55 HA THR 55 6.540 -2.399 -4.443 495 HB THR 55 HB THR 55 6.306 0.545 -3.984 496 HG1 THR 55 HG1 THR 55 6.499 -0.423 -6.519 497 1HG2 THR 55 1HG2 THR 55 8.661 0.356 -4.018 498 2HG2 THR 55 2HG2 THR 55 8.632 -0.840 -5.346 499 3HG2 THR 55 3HG2 THR 55 8.169 0.844 -5.643 500 H ILE 56 H ILE 56 6.568 -0.889 -1.134 501 HA ILE 56 HA ILE 56 9.326 -1.303 -0.617 502 HB ILE 56 HB ILE 56 6.893 -1.245 1.149 503 1HG1 ILE 56 1HG1 ILE 56 8.055 0.815 0.032 504 2HG1 ILE 56 2HG1 ILE 56 7.542 0.866 1.704 505 1HG2 ILE 56 1HG2 ILE 56 9.695 -1.917 2.094 506 2HG2 ILE 56 2HG2 ILE 56 8.444 -1.202 3.142 507 3HG2 ILE 56 3HG2 ILE 56 8.182 -2.782 2.405 508 1HD1 ILE 56 1HD1 ILE 56 9.858 1.796 1.246 509 2HD1 ILE 56 2HD1 ILE 56 9.767 0.588 2.543 510 3HD1 ILE 56 3HD1 ILE 56 10.369 0.138 0.911 511 H LEU 57 H LEU 57 6.551 -3.479 -0.427 512 HA LEU 57 HA LEU 57 8.007 -5.783 0.546 513 1HB LEU 57 1HB LEU 57 5.703 -5.880 0.752 514 2HB LEU 57 2HB LEU 57 5.394 -5.428 -0.933 515 HG LEU 57 HG LEU 57 6.084 -7.610 -1.692 516 1HD1 LEU 57 1HD1 LEU 57 7.924 -8.105 -0.233 517 2HD1 LEU 57 2HD1 LEU 57 6.883 -8.111 1.203 518 3HD1 LEU 57 3HD1 LEU 57 6.758 -9.379 -0.046 519 1HD2 LEU 57 1HD2 LEU 57 3.774 -7.297 -0.784 520 2HD2 LEU 57 2HD2 LEU 57 4.336 -8.955 -0.592 521 3HD2 LEU 57 3HD2 LEU 57 4.325 -7.851 0.807 522 H ARG 58 H ARG 58 7.081 -4.835 -2.673 523 HA ARG 58 HA ARG 58 8.379 -6.749 -4.245 524 1HB ARG 58 1HB ARG 58 7.017 -4.528 -4.862 525 2HB ARG 58 2HB ARG 58 8.615 -3.910 -5.206 526 1HG ARG 58 1HG ARG 58 7.243 -6.303 -6.482 527 2HG ARG 58 2HG ARG 58 7.690 -4.775 -7.231 528 1HD ARG 58 1HD ARG 58 10.168 -5.526 -6.497 529 2HD ARG 58 2HD ARG 58 9.431 -7.119 -6.439 530 HE ARG 58 HE ARG 58 9.301 -7.187 -8.704 531 1HH1 ARG 58 2HH2 ARG 58 10.054 -3.773 -7.894 532 2HH1 ARG 58 1HH2 ARG 58 10.074 -3.321 -9.568 533 1HH2 ARG 58 2HH1 ARG 58 9.861 -6.563 -10.803 534 2HH2 ARG 58 1HH1 ARG 58 9.855 -4.918 -11.270 535 H GLU 59 H GLU 59 9.783 -3.722 -3.152 536 HA GLU 59 HA GLU 59 12.504 -4.083 -4.052 537 1HB GLU 59 1HB GLU 59 11.466 -2.494 -1.682 538 2HB GLU 59 2HB GLU 59 13.022 -2.274 -2.460 539 1HG GLU 59 1HG GLU 59 10.763 -2.081 -4.348 540 2HG GLU 59 2HG GLU 59 10.695 -0.900 -3.045 541 H ARG 60 H ARG 60 10.813 -5.475 -1.292 542 HA ARG 60 HA ARG 60 13.365 -6.403 -0.088 543 1HB ARG 60 1HB ARG 60 10.473 -6.643 0.818 544 2HB ARG 60 2HB ARG 60 11.784 -7.545 1.568 545 1HG ARG 60 1HG ARG 60 12.986 -5.455 2.082 546 2HG ARG 60 2HG ARG 60 11.713 -4.517 1.296 547 1HD ARG 60 1HD ARG 60 11.380 -4.376 3.664 548 2HD ARG 60 2HD ARG 60 10.076 -5.330 2.971 549 HE ARG 60 HE ARG 60 10.756 -7.201 4.105 550 1HH1 ARG 60 2HH2 ARG 60 13.682 -5.198 4.533 551 2HH1 ARG 60 1HH2 ARG 60 13.617 -5.328 6.264 552 1HH2 ARG 60 2HH1 ARG 60 11.176 -7.825 6.272 553 2HH2 ARG 60 1HH1 ARG 60 12.376 -7.025 7.202 554 H GLU 61 H GLU 61 11.042 -7.514 -2.372 555 HA GLU 61 HA GLU 61 11.523 -10.337 -2.035 556 1HB GLU 61 1HB GLU 61 10.727 -8.932 -4.620 557 2HB GLU 61 2HB GLU 61 10.637 -10.653 -4.281 558 1HG GLU 61 1HG GLU 61 8.918 -10.093 -2.490 559 2HG GLU 61 2HG GLU 61 8.981 -8.424 -3.093 560 H LEU 62 H LEU 62 12.878 -7.972 -4.551 561 HA LEU 62 HA LEU 62 14.889 -9.850 -5.208 562 1HB LEU 62 1HB LEU 62 15.494 -6.992 -5.722 563 2HB LEU 62 2HB LEU 62 15.648 -8.397 -6.728 564 HG LEU 62 HG LEU 62 14.136 -7.226 -7.862 565 1HD1 LEU 62 1HD1 LEU 62 12.072 -8.204 -8.006 566 2HD1 LEU 62 2HD1 LEU 62 13.074 -9.456 -7.248 567 3HD1 LEU 62 3HD1 LEU 62 11.949 -8.481 -6.274 568 1HD2 LEU 62 1HD2 LEU 62 13.035 -6.136 -5.313 569 2HD2 LEU 62 2HD2 LEU 62 13.899 -5.319 -6.636 570 3HD2 LEU 62 3HD2 LEU 62 12.257 -5.893 -6.905 571 H GLY 63 H GLY 63 14.699 -7.419 -2.684 572 1HA GLY 63 1HA GLY 63 16.200 -7.027 -0.926 573 2HA GLY 63 2HA GLY 63 17.437 -7.998 -1.726 574 H ILE 64 H ILE 64 15.481 -5.068 -2.442 575 HA ILE 64 HA ILE 64 17.783 -3.439 -3.210 576 HB ILE 64 HB ILE 64 14.763 -3.163 -3.426 577 1HG1 ILE 64 1HG1 ILE 64 15.500 -4.841 -4.962 578 2HG1 ILE 64 2HG1 ILE 64 14.993 -3.395 -5.810 579 1HG2 ILE 64 1HG2 ILE 64 15.585 -0.984 -3.207 580 2HG2 ILE 64 2HG2 ILE 64 16.897 -1.272 -4.381 581 3HG2 ILE 64 3HG2 ILE 64 15.190 -1.240 -4.909 582 1HD1 ILE 64 1HD1 ILE 64 17.286 -2.765 -6.271 583 2HD1 ILE 64 2HD1 ILE 64 17.892 -4.118 -5.277 584 3HD1 ILE 64 3HD1 ILE 64 17.006 -4.448 -6.766 585 H ARG 65 H ARG 65 15.370 -4.065 -0.819 586 HA ARG 65 HA ARG 65 15.910 -1.473 0.577 587 1HB ARG 65 1HB ARG 65 13.587 -3.419 0.340 588 2HB ARG 65 2HB ARG 65 13.738 -2.693 1.912 589 1HG ARG 65 1HG ARG 65 13.498 -1.103 -0.645 590 2HG ARG 65 2HG ARG 65 12.147 -1.545 0.406 591 1HD ARG 65 1HD ARG 65 12.532 0.206 1.745 592 2HD ARG 65 2HD ARG 65 14.177 -0.336 2.061 593 HE ARG 65 HE ARG 65 13.293 1.311 -0.280 594 1HH1 ARG 65 2HH2 ARG 65 15.898 0.532 2.065 595 2HH1 ARG 65 1HH2 ARG 65 17.132 1.316 1.167 596 1HH2 ARG 65 2HH1 ARG 65 14.977 2.290 -1.515 597 2HH2 ARG 65 1HH1 ARG 65 16.550 2.469 -0.781 598 H ARG 66 H ARG 66 17.442 -4.053 0.790 599 HA ARG 66 HA ARG 66 17.848 -5.805 2.022 600 1HB ARG 66 1HB ARG 66 18.518 -3.659 3.680 601 2HB ARG 66 2HB ARG 66 17.490 -4.662 4.687 602 1HG ARG 66 1HG ARG 66 20.022 -5.510 3.213 603 2HG ARG 66 2HG ARG 66 19.870 -5.253 4.947 604 1HD ARG 66 1HD ARG 66 18.314 -7.187 5.092 605 2HD ARG 66 2HD ARG 66 18.468 -7.457 3.363 606 HE ARG 66 HE ARG 66 20.616 -8.272 3.597 607 1HH1 ARG 66 2HH2 ARG 66 19.300 -7.507 6.795 608 2HH1 ARG 66 1HH2 ARG 66 20.835 -7.629 7.610 609 1HH2 ARG 66 2HH1 ARG 66 22.486 -8.857 4.714 610 2HH2 ARG 66 1HH1 ARG 66 22.538 -8.859 6.470 Start of MODEL 17 1 1H MET 1 1H MET 1 10.920 5.941 -1.986 2 HA MET 1 HA MET 1 13.225 6.279 -1.384 3 1HB MET 1 1HB MET 1 12.040 8.739 -0.050 4 2HB MET 1 2HB MET 1 13.546 8.037 0.536 5 1HG MET 1 1HG MET 1 14.580 8.260 -1.650 6 2HG MET 1 2HG MET 1 13.124 9.036 -2.293 7 1HE MET 1 1HE MET 1 12.050 10.929 -0.328 8 2HE MET 1 2HE MET 1 12.998 12.420 -0.401 9 3HE MET 1 3HE MET 1 12.505 11.601 -1.900 10 H LYS 2 H LYS 2 13.558 4.541 -0.094 11 HA LYS 2 HA LYS 2 13.979 3.494 1.869 12 1HB LYS 2 1HB LYS 2 13.403 6.262 2.987 13 2HB LYS 2 2HB LYS 2 14.421 5.041 3.737 14 1HG LYS 2 1HG LYS 2 16.090 5.201 1.997 15 2HG LYS 2 2HG LYS 2 15.058 6.216 0.987 16 1HD LYS 2 1HD LYS 2 15.029 7.950 2.807 17 2HD LYS 2 2HD LYS 2 16.260 6.968 3.645 18 1HE LYS 2 1HE LYS 2 17.715 7.123 1.625 19 2HE LYS 2 2HE LYS 2 16.503 8.163 0.855 20 1HZ LYS 2 1HZ LYS 2 18.201 9.474 1.819 21 2HZ LYS 2 2HZ LYS 2 16.849 9.760 2.683 22 3HZ LYS 2 3HZ LYS 2 18.019 8.784 3.308 23 H ALA 3 H ALA 3 13.248 3.443 4.400 24 HA ALA 3 HA ALA 3 10.318 3.501 4.606 25 1HB ALA 3 1HB ALA 3 12.005 1.087 5.199 26 2HB ALA 3 2HB ALA 3 10.607 1.478 6.219 27 3HB ALA 3 3HB ALA 3 10.376 1.234 4.495 28 H SER 4 H SER 4 12.885 2.523 6.748 29 HA SER 4 HA SER 4 12.898 2.304 8.838 30 1HB SER 4 1HB SER 4 12.436 5.324 9.118 31 2HB SER 4 2HB SER 4 13.139 4.274 10.329 32 HG SER 4 HG SER 4 14.835 5.169 9.394 33 H GLU 5 H GLU 5 9.938 3.712 7.817 34 HA GLU 5 HA GLU 5 8.645 2.622 10.257 35 1HB GLU 5 1HB GLU 5 6.675 3.756 9.461 36 2HB GLU 5 2HB GLU 5 8.068 4.837 9.415 37 1HG GLU 5 1HG GLU 5 8.228 4.075 6.880 38 2HG GLU 5 2HG GLU 5 6.586 3.540 7.159 39 H LEU 6 H LEU 6 8.408 2.216 6.696 40 HA LEU 6 HA LEU 6 6.699 -0.088 7.037 41 1HB LEU 6 1HB LEU 6 7.982 1.262 4.633 42 2HB LEU 6 2HB LEU 6 7.399 -0.366 4.465 43 HG LEU 6 HG LEU 6 5.689 0.812 3.650 44 1HD1 LEU 6 1HD1 LEU 6 3.752 0.485 5.097 45 2HD1 LEU 6 2HD1 LEU 6 4.896 -0.844 5.342 46 3HD1 LEU 6 3HD1 LEU 6 4.750 0.470 6.527 47 1HD2 LEU 6 1HD2 LEU 6 5.003 2.919 4.086 48 2HD2 LEU 6 2HD2 LEU 6 5.150 2.740 5.828 49 3HD2 LEU 6 3HD2 LEU 6 6.601 3.043 4.824 50 H ARG 7 H ARG 7 10.224 -0.043 7.064 51 HA ARG 7 HA ARG 7 10.279 -2.907 6.516 52 1HB ARG 7 1HB ARG 7 11.938 -1.206 5.670 53 2HB ARG 7 2HB ARG 7 12.459 -0.908 7.334 54 1HG ARG 7 1HG ARG 7 12.370 -3.703 6.253 55 2HG ARG 7 2HG ARG 7 13.633 -2.618 5.672 56 1HD ARG 7 1HD ARG 7 14.892 -2.897 7.490 57 2HD ARG 7 2HD ARG 7 13.559 -2.474 8.552 58 HE ARG 7 HE ARG 7 12.942 -4.703 8.797 59 1HH1 ARG 7 2HH2 ARG 7 15.839 -4.571 6.624 60 2HH1 ARG 7 1HH2 ARG 7 16.253 -6.213 6.976 61 1HH2 ARG 7 2HH1 ARG 7 13.480 -6.891 9.023 62 2HH2 ARG 7 1HH1 ARG 7 14.864 -7.599 8.272 63 H ASN 8 H ASN 8 9.678 -0.777 9.083 64 HA ASN 8 HA ASN 8 11.303 -2.113 11.124 65 1HB ASN 8 1HB ASN 8 11.046 0.286 11.195 66 2HB ASN 8 2HB ASN 8 9.287 0.183 11.253 67 1HD2 ASN 8 1HD2 ASN 8 8.423 0.528 13.285 68 2HD2 ASN 8 2HD2 ASN 8 9.320 0.205 14.756 69 H TYR 9 H TYR 9 7.929 -2.413 10.022 70 HA TYR 9 HA TYR 9 6.874 -3.330 12.399 71 1HB TYR 9 1HB TYR 9 6.039 -3.619 9.535 72 2HB TYR 9 2HB TYR 9 5.108 -4.222 10.853 73 HD1 TYR 9 HD1 TYR 9 6.128 -1.367 8.924 74 HD2 TYR 9 HD2 TYR 9 4.278 -2.570 12.622 75 HE1 TYR 9 HE1 TYR 9 5.193 0.922 9.174 76 HE2 TYR 9 HE2 TYR 9 3.340 -0.294 12.895 77 HH TYR 9 HH TYR 9 3.446 2.135 10.386 78 H THR 10 H THR 10 6.016 -5.682 12.767 79 HA THR 10 HA THR 10 8.335 -7.459 12.602 80 HB THR 10 HB THR 10 6.830 -9.047 13.616 81 HG1 THR 10 HG1 THR 10 4.820 -7.719 14.516 82 1HG2 THR 10 1HG2 THR 10 6.701 -6.349 15.046 83 2HG2 THR 10 2HG2 THR 10 6.614 -7.954 15.822 84 3HG2 THR 10 3HG2 THR 10 8.126 -7.425 15.050 85 H ASP 11 H ASP 11 8.073 -9.719 11.589 86 HA ASP 11 HA ASP 11 7.486 -9.464 8.870 87 1HB ASP 11 1HB ASP 11 8.121 -11.675 10.685 88 2HB ASP 11 2HB ASP 11 7.138 -12.140 9.307 89 H GLU 12 H GLU 12 5.160 -10.109 11.406 90 HA GLU 12 HA GLU 12 3.080 -10.903 9.472 91 1HB GLU 12 1HB GLU 12 3.214 -10.580 12.498 92 2HB GLU 12 2HB GLU 12 1.677 -10.769 11.615 93 1HG GLU 12 1HG GLU 12 2.679 -12.832 10.492 94 2HG GLU 12 2HG GLU 12 4.006 -12.722 11.653 95 H GLU 13 H GLU 13 3.916 -8.131 11.645 96 HA GLU 13 HA GLU 13 1.549 -6.616 11.003 97 1HB GLU 13 1HB GLU 13 4.307 -5.947 12.039 98 2HB GLU 13 2HB GLU 13 3.207 -4.641 11.584 99 1HG GLU 13 1HG GLU 13 2.335 -6.785 13.551 100 2HG GLU 13 2HG GLU 13 3.327 -5.413 14.037 101 H LEU 14 H LEU 14 4.706 -6.932 9.515 102 HA LEU 14 HA LEU 14 4.691 -4.852 7.589 103 1HB LEU 14 1HB LEU 14 5.950 -7.635 7.593 104 2HB LEU 14 2HB LEU 14 6.275 -6.468 6.324 105 HG LEU 14 HG LEU 14 6.724 -5.797 9.221 106 1HD1 LEU 14 1HD1 LEU 14 8.200 -7.572 9.143 107 2HD1 LEU 14 2HD1 LEU 14 8.553 -7.354 7.412 108 3HD1 LEU 14 3HD1 LEU 14 9.209 -6.247 8.647 109 1HD2 LEU 14 1HD2 LEU 14 8.241 -4.622 6.933 110 2HD2 LEU 14 2HD2 LEU 14 6.717 -3.946 7.527 111 3HD2 LEU 14 3HD2 LEU 14 8.074 -4.093 8.649 112 H LYS 15 H LYS 15 3.871 -8.308 6.951 113 HA LYS 15 HA LYS 15 2.768 -7.697 4.418 114 1HB LYS 15 1HB LYS 15 1.579 -9.903 4.658 115 2HB LYS 15 2HB LYS 15 3.335 -9.935 4.755 116 1HG LYS 15 1HG LYS 15 2.856 -11.424 6.409 117 2HG LYS 15 2HG LYS 15 2.977 -9.939 7.341 118 1HD LYS 15 1HD LYS 15 1.071 -11.038 8.202 119 2HD LYS 15 2HD LYS 15 0.398 -9.807 7.176 120 1HE LYS 15 1HE LYS 15 -0.902 -11.454 6.512 121 2HE LYS 15 2HE LYS 15 0.382 -11.727 5.336 122 1HZ LYS 15 1HZ LYS 15 -0.501 -13.675 6.640 123 2HZ LYS 15 2HZ LYS 15 1.148 -13.552 6.677 124 3HZ LYS 15 3HZ LYS 15 0.217 -13.078 7.962 125 H ASN 16 H ASN 16 1.259 -7.754 7.668 126 HA ASN 16 HA ASN 16 -1.316 -7.474 6.505 127 1HB ASN 16 1HB ASN 16 -0.451 -8.221 8.898 128 2HB ASN 16 2HB ASN 16 -0.585 -6.505 9.275 129 1HD2 ASN 16 1HD2 ASN 16 -2.132 -7.652 10.917 130 2HD2 ASN 16 2HD2 ASN 16 -3.775 -7.961 10.362 131 H LEU 17 H LEU 17 1.114 -5.255 6.479 132 HA LEU 17 HA LEU 17 -0.711 -2.853 6.300 133 1HB LEU 17 1HB LEU 17 2.326 -3.067 5.932 134 2HB LEU 17 2HB LEU 17 1.412 -1.660 5.626 135 HG LEU 17 HG LEU 17 1.768 -0.920 7.617 136 1HD1 LEU 17 1HD1 LEU 17 0.946 -1.845 9.663 137 2HD1 LEU 17 2HD1 LEU 17 -0.323 -1.918 8.423 138 3HD1 LEU 17 3HD1 LEU 17 0.566 -3.393 8.895 139 1HD2 LEU 17 1HD2 LEU 17 3.165 -3.557 7.901 140 2HD2 LEU 17 2HD2 LEU 17 3.865 -2.004 7.514 141 3HD2 LEU 17 3HD2 LEU 17 3.234 -2.317 9.167 142 H LEU 18 H LEU 18 1.741 -4.787 4.633 143 HA LEU 18 HA LEU 18 1.318 -3.091 2.269 144 1HB LEU 18 1HB LEU 18 3.037 -5.506 2.010 145 2HB LEU 18 2HB LEU 18 3.260 -3.965 1.315 146 HG LEU 18 HG LEU 18 3.616 -3.798 4.214 147 1HD1 LEU 18 1HD1 LEU 18 5.541 -5.786 3.005 148 2HD1 LEU 18 2HD1 LEU 18 5.287 -5.245 4.716 149 3HD1 LEU 18 3HD1 LEU 18 4.082 -6.237 3.885 150 1HD2 LEU 18 1HD2 LEU 18 5.717 -3.589 2.023 151 2HD2 LEU 18 2HD2 LEU 18 4.838 -2.233 2.733 152 3HD2 LEU 18 3HD2 LEU 18 5.949 -3.143 3.729 153 H GLU 19 H GLU 19 0.341 -6.115 3.226 154 HA GLU 19 HA GLU 19 -1.091 -6.786 0.795 155 1HB GLU 19 1HB GLU 19 -1.672 -8.616 1.781 156 2HB GLU 19 2HB GLU 19 -0.398 -8.231 2.946 157 1HG GLU 19 1HG GLU 19 -1.994 -7.445 4.538 158 2HG GLU 19 2HG GLU 19 -3.345 -7.772 3.427 159 H GLU 20 H GLU 20 -2.024 -5.111 3.896 160 HA GLU 20 HA GLU 20 -4.707 -4.791 3.198 161 1HB GLU 20 1HB GLU 20 -3.873 -4.518 5.460 162 2HB GLU 20 2HB GLU 20 -3.044 -3.004 5.031 163 1HG GLU 20 1HG GLU 20 -5.957 -3.107 4.325 164 2HG GLU 20 2HG GLU 20 -5.632 -3.284 6.044 165 H LYS 21 H LYS 21 -2.075 -2.360 2.838 166 HA LYS 21 HA LYS 21 -3.601 -0.433 1.568 167 1HB LYS 21 1HB LYS 21 -0.642 -1.148 1.497 168 2HB LYS 21 2HB LYS 21 -1.239 0.374 0.886 169 1HG LYS 21 1HG LYS 21 -1.451 -0.658 3.753 170 2HG LYS 21 2HG LYS 21 -0.266 0.485 3.180 171 1HD LYS 21 1HD LYS 21 -3.230 1.108 3.064 172 2HD LYS 21 2HD LYS 21 -2.270 1.269 4.531 173 1HE LYS 21 1HE LYS 21 -0.703 2.771 3.404 174 2HE LYS 21 2HE LYS 21 -1.687 2.654 1.920 175 1HZ LYS 21 1HZ LYS 21 -2.122 4.656 3.304 176 2HZ LYS 21 2HZ LYS 21 -3.493 3.695 3.113 177 3HZ LYS 21 3HZ LYS 21 -2.682 3.710 4.503 178 H LYS 22 H LYS 22 -1.426 -2.944 -0.056 179 HA LYS 22 HA LYS 22 -2.261 -2.282 -2.553 180 1HB LYS 22 1HB LYS 22 -1.576 -4.220 -3.508 181 2HB LYS 22 2HB LYS 22 -0.451 -3.879 -2.187 182 1HG LYS 22 1HG LYS 22 -1.350 -5.720 -0.902 183 2HG LYS 22 2HG LYS 22 -2.720 -5.920 -2.020 184 1HD LYS 22 1HD LYS 22 -1.059 -6.470 -3.855 185 2HD LYS 22 2HD LYS 22 0.224 -6.488 -2.602 186 1HE LYS 22 1HE LYS 22 -1.069 -8.233 -1.374 187 2HE LYS 22 2HE LYS 22 -2.306 -8.205 -2.621 188 1HZ LYS 22 1HZ LYS 22 0.516 -8.955 -3.080 189 2HZ LYS 22 2HZ LYS 22 -0.697 -10.016 -2.870 190 3HZ LYS 22 3HZ LYS 22 -0.728 -9.065 -4.192 191 H ARG 23 H ARG 23 -4.184 -4.507 -0.313 192 HA ARG 23 HA ARG 23 -6.143 -5.024 -2.367 193 1HB ARG 23 1HB ARG 23 -7.633 -5.807 -0.683 194 2HB ARG 23 2HB ARG 23 -6.028 -6.534 -0.517 195 1HG ARG 23 1HG ARG 23 -5.588 -5.297 1.431 196 2HG ARG 23 2HG ARG 23 -7.071 -4.335 1.308 197 1HD ARG 23 1HD ARG 23 -6.990 -7.355 1.652 198 2HD ARG 23 2HD ARG 23 -7.084 -6.206 2.998 199 HE ARG 23 HE ARG 23 -9.171 -5.448 1.370 200 1HH1 ARG 23 2HH2 ARG 23 -8.396 -8.277 3.444 201 2HH1 ARG 23 1HH2 ARG 23 -10.092 -8.615 3.685 202 1HH2 ARG 23 2HH1 ARG 23 -11.275 -6.319 1.334 203 2HH2 ARG 23 1HH1 ARG 23 -11.749 -7.417 2.593 204 H GLN 24 H GLN 24 -6.082 -2.622 0.314 205 HA GLN 24 HA GLN 24 -8.524 -1.503 0.061 206 1HB GLN 24 1HB GLN 24 -5.805 -0.367 0.762 207 2HB GLN 24 2HB GLN 24 -7.201 0.661 0.647 208 1HG GLN 24 1HG GLN 24 -8.096 -1.516 2.203 209 2HG GLN 24 2HG GLN 24 -6.469 -1.223 2.753 210 1HE2 GLN 24 1HE2 GLN 24 -6.475 0.213 4.530 211 2HE2 GLN 24 2HE2 GLN 24 -7.610 1.512 4.725 212 H LEU 25 H LEU 25 -5.665 -0.601 -1.903 213 HA LEU 25 HA LEU 25 -6.901 1.434 -3.471 214 1HB LEU 25 1HB LEU 25 -4.584 1.087 -3.454 215 2HB LEU 25 2HB LEU 25 -4.704 -0.586 -4.000 216 HG LEU 25 HG LEU 25 -3.752 1.098 -5.565 217 1HD1 LEU 25 1HD1 LEU 25 -4.642 0.201 -7.570 218 2HD1 LEU 25 2HD1 LEU 25 -4.678 -1.075 -6.367 219 3HD1 LEU 25 3HD1 LEU 25 -6.181 -0.231 -6.820 220 1HD2 LEU 25 1HD2 LEU 25 -5.369 2.908 -4.964 221 2HD2 LEU 25 2HD2 LEU 25 -5.097 2.664 -6.709 222 3HD2 LEU 25 3HD2 LEU 25 -6.590 2.088 -5.961 223 H MET 26 H MET 26 -6.767 -2.075 -4.044 224 HA MET 26 HA MET 26 -8.182 -1.963 -6.574 225 1HB MET 26 1HB MET 26 -7.539 -4.300 -4.743 226 2HB MET 26 2HB MET 26 -8.023 -4.410 -6.427 227 1HG MET 26 1HG MET 26 -5.974 -3.184 -7.110 228 2HG MET 26 2HG MET 26 -5.497 -3.042 -5.428 229 1HE MET 26 1HE MET 26 -6.464 -5.868 -8.075 230 2HE MET 26 2HE MET 26 -5.085 -4.888 -8.612 231 3HE MET 26 3HE MET 26 -4.851 -6.593 -8.189 232 H GLU 27 H GLU 27 -9.148 -2.133 -3.271 233 HA GLU 27 HA GLU 27 -11.854 -3.240 -3.708 234 1HB GLU 27 1HB GLU 27 -10.361 -2.007 -1.337 235 2HB GLU 27 2HB GLU 27 -12.008 -2.611 -1.228 236 1HG GLU 27 1HG GLU 27 -9.863 -4.471 -2.300 237 2HG GLU 27 2HG GLU 27 -9.903 -4.104 -0.581 238 H LEU 28 H LEU 28 -10.266 -0.138 -2.953 239 HA LEU 28 HA LEU 28 -12.716 1.326 -2.769 240 1HB LEU 28 1HB LEU 28 -9.784 1.978 -3.012 241 2HB LEU 28 2HB LEU 28 -10.971 3.235 -3.214 242 HG LEU 28 HG LEU 28 -11.667 3.272 -1.054 243 1HD1 LEU 28 1HD1 LEU 28 -12.336 0.992 -0.591 244 2HD1 LEU 28 2HD1 LEU 28 -10.647 0.453 -0.537 245 3HD1 LEU 28 3HD1 LEU 28 -11.265 1.564 0.682 246 1HD2 LEU 28 1HD2 LEU 28 -9.687 3.368 0.350 247 2HD2 LEU 28 2HD2 LEU 28 -8.826 2.243 -0.705 248 3HD2 LEU 28 3HD2 LEU 28 -9.216 3.876 -1.284 249 H ARG 29 H ARG 29 -10.558 0.628 -5.505 250 HA ARG 29 HA ARG 29 -12.143 2.202 -7.366 251 1HB ARG 29 1HB ARG 29 -11.121 1.061 -9.201 252 2HB ARG 29 2HB ARG 29 -9.898 1.539 -8.030 253 1HG ARG 29 1HG ARG 29 -9.679 -0.675 -7.235 254 2HG ARG 29 2HG ARG 29 -11.069 -1.282 -8.149 255 1HD ARG 29 1HD ARG 29 -8.528 -0.211 -9.419 256 2HD ARG 29 2HD ARG 29 -8.891 -1.914 -9.163 257 HE ARG 29 HE ARG 29 -10.037 -0.116 -11.183 258 1HH1 ARG 29 2HH2 ARG 29 -10.160 -3.390 -9.760 259 2HH1 ARG 29 1HH2 ARG 29 -11.277 -3.979 -10.932 260 1HH2 ARG 29 2HH1 ARG 29 -11.395 -0.969 -12.828 261 2HH2 ARG 29 1HH1 ARG 29 -11.811 -2.636 -12.818 262 H PHE 30 H PHE 30 -12.757 -0.871 -5.838 263 HA PHE 30 HA PHE 30 -14.827 -1.697 -7.728 264 1HB PHE 30 1HB PHE 30 -13.587 -3.385 -6.526 265 2HB PHE 30 2HB PHE 30 -13.943 -2.680 -5.003 266 HD1 PHE 30 HD1 PHE 30 -15.404 -3.931 -3.697 267 HD2 PHE 30 HD2 PHE 30 -16.005 -3.832 -7.984 268 HE1 PHE 30 HE1 PHE 30 -17.358 -5.438 -3.474 269 HE2 PHE 30 HE2 PHE 30 -17.927 -5.346 -7.743 270 HZ PHE 30 HZ PHE 30 -18.629 -6.141 -5.505 271 H GLN 31 H GLN 31 -14.693 0.228 -4.537 272 HA GLN 31 HA GLN 31 -17.480 0.164 -4.257 273 1HB GLN 31 1HB GLN 31 -15.112 1.639 -3.056 274 2HB GLN 31 2HB GLN 31 -16.738 2.045 -2.591 275 1HG GLN 31 1HG GLN 31 -16.280 -0.881 -2.491 276 2HG GLN 31 2HG GLN 31 -15.113 0.005 -1.541 277 1HE2 GLN 31 1HE2 GLN 31 -18.091 -1.519 -1.317 278 2HE2 GLN 31 2HE2 GLN 31 -18.700 -0.720 0.088 279 H LEU 32 H LEU 32 -15.126 2.286 -5.893 280 HA LEU 32 HA LEU 32 -16.942 4.457 -6.201 281 1HB LEU 32 1HB LEU 32 -14.444 4.429 -6.649 282 2HB LEU 32 2HB LEU 32 -14.742 3.603 -8.155 283 HG LEU 32 HG LEU 32 -14.373 5.893 -8.423 284 1HD1 LEU 32 1HD1 LEU 32 -15.963 4.813 -10.014 285 2HD1 LEU 32 2HD1 LEU 32 -17.265 5.697 -9.182 286 3HD1 LEU 32 3HD1 LEU 32 -15.963 6.584 -9.961 287 1HD2 LEU 32 1HD2 LEU 32 -15.298 6.730 -6.219 288 2HD2 LEU 32 2HD2 LEU 32 -15.917 7.690 -7.574 289 3HD2 LEU 32 3HD2 LEU 32 -16.943 6.469 -6.804 290 H ALA 33 H ALA 33 -16.049 1.981 -8.405 291 HA ALA 33 HA ALA 33 -17.843 2.344 -10.541 292 1HB ALA 33 1HB ALA 33 -16.899 -0.335 -9.405 293 2HB ALA 33 2HB ALA 33 -17.475 -0.031 -11.049 294 3HB ALA 33 3HB ALA 33 -15.948 0.701 -10.505 295 H MET 34 H MET 34 -18.397 0.723 -7.366 296 HA MET 34 HA MET 34 -21.054 -0.031 -8.111 297 1HB MET 34 1HB MET 34 -19.228 -0.339 -5.717 298 2HB MET 34 2HB MET 34 -20.931 -0.742 -5.569 299 1HG MET 34 1HG MET 34 -19.199 -1.874 -7.791 300 2HG MET 34 2HG MET 34 -19.400 -2.667 -6.235 301 1HE MET 34 1HE MET 34 -20.034 -3.947 -9.038 302 2HE MET 34 2HE MET 34 -20.289 -4.836 -7.520 303 3HE MET 34 3HE MET 34 -21.589 -4.760 -8.731 304 H GLY 35 H GLY 35 -19.666 2.814 -6.765 305 1HA GLY 35 1HA GLY 35 -20.620 4.802 -6.443 306 2HA GLY 35 2HA GLY 35 -22.268 4.108 -6.537 307 H GLN 36 H GLN 36 -19.423 3.220 -4.541 308 HA GLN 36 HA GLN 36 -20.978 3.700 -2.080 309 1HB GLN 36 1HB GLN 36 -18.842 1.619 -2.606 310 2HB GLN 36 2HB GLN 36 -19.931 1.677 -1.240 311 1HG GLN 36 1HG GLN 36 -20.632 1.181 -4.148 312 2HG GLN 36 2HG GLN 36 -20.420 -0.080 -2.951 313 1HE2 GLN 36 1HE2 GLN 36 -22.906 0.858 -4.605 314 2HE2 GLN 36 2HE2 GLN 36 -24.151 0.897 -3.386 315 H LEU 37 H LEU 37 -18.089 4.111 -3.850 316 HA LEU 37 HA LEU 37 -16.338 4.874 -1.708 317 1HB LEU 37 1HB LEU 37 -15.624 3.964 -3.831 318 2HB LEU 37 2HB LEU 37 -15.903 5.548 -4.570 319 HG LEU 37 HG LEU 37 -14.249 5.212 -2.061 320 1HD1 LEU 37 1HD1 LEU 37 -13.395 4.512 -4.822 321 2HD1 LEU 37 2HD1 LEU 37 -12.238 5.040 -3.588 322 3HD1 LEU 37 3HD1 LEU 37 -13.275 3.637 -3.285 323 1HD2 LEU 37 1HD2 LEU 37 -12.900 7.137 -3.047 324 2HD2 LEU 37 2HD2 LEU 37 -14.079 7.224 -4.376 325 3HD2 LEU 37 3HD2 LEU 37 -14.549 7.562 -2.701 326 H LYS 38 H LYS 38 -16.578 6.606 -0.435 327 HA LYS 38 HA LYS 38 -17.874 9.020 -1.316 328 1HB LYS 38 1HB LYS 38 -17.683 7.873 1.062 329 2HB LYS 38 2HB LYS 38 -16.286 8.912 1.264 330 1HG LYS 38 1HG LYS 38 -19.052 9.841 0.377 331 2HG LYS 38 2HG LYS 38 -18.584 9.743 2.058 332 1HD LYS 38 1HD LYS 38 -17.114 11.545 0.082 333 2HD LYS 38 2HD LYS 38 -18.545 12.032 0.995 334 1HE LYS 38 1HE LYS 38 -17.300 11.251 3.104 335 2HE LYS 38 2HE LYS 38 -15.838 11.224 2.121 336 1HZ LYS 38 1HZ LYS 38 -17.567 13.613 2.561 337 2HZ LYS 38 2HZ LYS 38 -16.180 13.318 3.331 338 3HZ LYS 38 3HZ LYS 38 -16.171 13.610 1.711 339 H ASN 39 H ASN 39 -16.589 9.439 -3.151 340 HA ASN 39 HA ASN 39 -15.426 10.900 -4.335 341 1HB ASN 39 1HB ASN 39 -16.026 12.504 -2.592 342 2HB ASN 39 2HB ASN 39 -14.502 12.167 -1.757 343 1HD2 ASN 39 1HD2 ASN 39 -16.003 13.957 -4.330 344 2HD2 ASN 39 2HD2 ASN 39 -14.518 14.676 -4.931 345 H THR 40 H THR 40 -13.837 10.357 -5.563 346 HA THR 40 HA THR 40 -11.802 8.593 -4.957 347 HB THR 40 HB THR 40 -12.262 10.480 -7.260 348 HG1 THR 40 HG1 THR 40 -13.118 7.803 -6.893 349 1HG2 THR 40 1HG2 THR 40 -11.368 8.672 -8.758 350 2HG2 THR 40 2HG2 THR 40 -10.152 9.507 -7.797 351 3HG2 THR 40 3HG2 THR 40 -10.711 7.895 -7.319 352 H SER 41 H SER 41 -11.527 11.969 -4.135 353 HA SER 41 HA SER 41 -8.679 12.199 -4.565 354 1HB SER 41 1HB SER 41 -10.702 13.535 -2.835 355 2HB SER 41 2HB SER 41 -9.050 13.496 -2.203 356 HG SER 41 HG SER 41 -8.362 14.725 -3.679 357 H LEU 42 H LEU 42 -10.680 10.442 -2.154 358 HA LEU 42 HA LEU 42 -8.397 9.840 -0.513 359 1HB LEU 42 1HB LEU 42 -10.812 9.749 0.135 360 2HB LEU 42 2HB LEU 42 -10.963 8.210 -0.680 361 HG LEU 42 HG LEU 42 -8.768 8.657 1.370 362 1HD1 LEU 42 1HD1 LEU 42 -10.765 9.520 2.475 363 2HD1 LEU 42 2HD1 LEU 42 -11.665 8.039 2.055 364 3HD1 LEU 42 3HD1 LEU 42 -10.300 7.966 3.188 365 1HD2 LEU 42 1HD2 LEU 42 -8.966 6.430 0.114 366 2HD2 LEU 42 2HD2 LEU 42 -8.935 6.333 1.878 367 3HD2 LEU 42 3HD2 LEU 42 -10.468 6.167 1.008 368 H ILE 43 H ILE 43 -9.908 8.145 -3.313 369 HA ILE 43 HA ILE 43 -8.168 5.951 -3.334 370 HB ILE 43 HB ILE 43 -10.069 7.111 -5.200 371 1HG1 ILE 43 1HG1 ILE 43 -10.079 4.930 -3.972 372 2HG1 ILE 43 2HG1 ILE 43 -10.536 4.793 -5.659 373 1HG2 ILE 43 1HG2 ILE 43 -8.301 7.604 -6.769 374 2HG2 ILE 43 2HG2 ILE 43 -7.622 5.974 -6.562 375 3HG2 ILE 43 3HG2 ILE 43 -9.200 6.186 -7.317 376 1HD1 ILE 43 1HD1 ILE 43 -8.322 3.839 -6.219 377 2HD1 ILE 43 2HD1 ILE 43 -7.877 3.914 -4.491 378 3HD1 ILE 43 3HD1 ILE 43 -9.203 2.879 -5.057 379 H LYS 44 H LYS 44 -7.600 9.161 -5.015 380 HA LYS 44 HA LYS 44 -5.042 8.597 -5.946 381 1HB LYS 44 1HB LYS 44 -6.011 10.567 -6.728 382 2HB LYS 44 2HB LYS 44 -6.622 11.045 -5.149 383 1HG LYS 44 1HG LYS 44 -4.903 12.589 -5.908 384 2HG LYS 44 2HG LYS 44 -4.430 11.781 -4.422 385 1HD LYS 44 1HD LYS 44 -3.425 10.103 -6.433 386 2HD LYS 44 2HD LYS 44 -3.205 11.716 -7.111 387 1HE LYS 44 1HE LYS 44 -1.994 12.418 -5.075 388 2HE LYS 44 2HE LYS 44 -2.279 10.851 -4.306 389 1HZ LYS 44 1HZ LYS 44 -0.922 9.863 -6.080 390 2HZ LYS 44 2HZ LYS 44 -0.724 11.286 -6.813 391 3HZ LYS 44 3HZ LYS 44 -0.035 11.054 -5.346 392 H LEU 45 H LEU 45 -6.004 9.657 -2.588 393 HA LEU 45 HA LEU 45 -3.269 10.100 -1.810 394 1HB LEU 45 1HB LEU 45 -5.997 10.120 -0.558 395 2HB LEU 45 2HB LEU 45 -4.499 10.164 0.342 396 HG LEU 45 HG LEU 45 -5.281 12.211 -1.737 397 1HD1 LEU 45 1HD1 LEU 45 -5.460 13.668 0.248 398 2HD1 LEU 45 2HD1 LEU 45 -6.555 12.269 0.334 399 3HD1 LEU 45 3HD1 LEU 45 -5.038 12.256 1.268 400 1HD2 LEU 45 1HD2 LEU 45 -3.350 13.544 -0.813 401 2HD2 LEU 45 2HD2 LEU 45 -2.808 12.099 0.073 402 3HD2 LEU 45 3HD2 LEU 45 -2.819 12.140 -1.723 403 H THR 46 H THR 46 -5.370 7.348 -2.197 404 HA THR 46 HA THR 46 -3.940 5.702 -0.260 405 HB THR 46 HB THR 46 -6.279 5.191 -2.147 406 HG1 THR 46 HG1 THR 46 -6.873 6.546 -0.596 407 1HG2 THR 46 1HG2 THR 46 -6.732 3.319 -0.496 408 2HG2 THR 46 2HG2 THR 46 -5.517 3.035 -1.736 409 3HG2 THR 46 3HG2 THR 46 -5.021 3.430 -0.050 410 H LYS 47 H LYS 47 -4.269 5.856 -3.931 411 HA LYS 47 HA LYS 47 -2.269 3.897 -4.347 412 1HB LYS 47 1HB LYS 47 -1.694 4.959 -6.538 413 2HB LYS 47 2HB LYS 47 -3.105 3.934 -6.286 414 1HG LYS 47 1HG LYS 47 -3.320 6.752 -5.642 415 2HG LYS 47 2HG LYS 47 -3.099 6.403 -7.371 416 1HD LYS 47 1HD LYS 47 -5.168 4.961 -5.693 417 2HD LYS 47 2HD LYS 47 -5.533 6.542 -6.414 418 1HE LYS 47 1HE LYS 47 -4.607 4.255 -8.144 419 2HE LYS 47 2HE LYS 47 -6.314 4.520 -7.746 420 1HZ LYS 47 1HZ LYS 47 -4.567 6.451 -9.142 421 2HZ LYS 47 2HZ LYS 47 -5.772 5.574 -9.820 422 3HZ LYS 47 3HZ LYS 47 -6.104 6.758 -8.731 423 H ARG 48 H ARG 48 -1.749 7.302 -3.635 424 HA ARG 48 HA ARG 48 1.029 7.350 -4.169 425 1HB ARG 48 1HB ARG 48 1.002 9.360 -2.997 426 2HB ARG 48 2HB ARG 48 -0.746 9.129 -3.115 427 1HG ARG 48 1HG ARG 48 -0.638 8.034 -0.821 428 2HG ARG 48 2HG ARG 48 1.041 8.555 -0.742 429 1HD ARG 48 1HD ARG 48 -0.067 10.954 -1.033 430 2HD ARG 48 2HD ARG 48 -1.521 10.121 -0.487 431 HE ARG 48 HE ARG 48 0.871 10.771 1.037 432 1HH1 ARG 48 2HH2 ARG 48 -1.843 8.379 1.073 433 2HH1 ARG 48 1HH2 ARG 48 -1.271 7.689 2.558 434 1HH2 ARG 48 2HH1 ARG 48 1.254 10.102 3.114 435 2HH2 ARG 48 1HH1 ARG 48 0.531 8.664 3.742 436 H ASP 49 H ASP 49 -0.669 6.129 -1.393 437 HA ASP 49 HA ASP 49 1.692 5.387 0.094 438 1HB ASP 49 1HB ASP 49 -1.215 5.587 0.458 439 2HB ASP 49 2HB ASP 49 -0.663 4.034 1.004 440 H ILE 50 H ILE 50 -0.837 3.764 -1.875 441 HA ILE 50 HA ILE 50 0.129 1.125 -1.268 442 HB ILE 50 HB ILE 50 -1.609 2.197 -3.479 443 1HG1 ILE 50 1HG1 ILE 50 -2.895 0.119 -2.581 444 2HG1 ILE 50 2HG1 ILE 50 -1.679 0.068 -1.329 445 1HG2 ILE 50 1HG2 ILE 50 -0.217 0.669 -4.809 446 2HG2 ILE 50 2HG2 ILE 50 -0.442 -0.606 -3.580 447 3HG2 ILE 50 3HG2 ILE 50 -1.820 -0.027 -4.539 448 1HD1 ILE 50 1HD1 ILE 50 -2.350 2.297 -0.543 449 2HD1 ILE 50 2HD1 ILE 50 -3.469 2.448 -1.949 450 3HD1 ILE 50 3HD1 ILE 50 -3.745 1.254 -0.624 451 H ALA 51 H ALA 51 1.056 3.392 -3.939 452 HA ALA 51 HA ALA 51 2.990 1.442 -4.782 453 1HB ALA 51 1HB ALA 51 3.575 3.249 -6.391 454 2HB ALA 51 2HB ALA 51 1.802 3.134 -6.244 455 3HB ALA 51 3HB ALA 51 2.668 4.432 -5.412 456 H ARG 52 H ARG 52 3.015 3.511 -2.125 457 HA ARG 52 HA ARG 52 5.977 3.425 -1.896 458 1HB ARG 52 1HB ARG 52 4.533 5.402 -1.198 459 2HB ARG 52 2HB ARG 52 3.880 4.432 0.107 460 1HG ARG 52 1HG ARG 52 6.821 5.112 -0.203 461 2HG ARG 52 2HG ARG 52 5.649 6.088 0.691 462 1HD ARG 52 1HD ARG 52 5.125 3.850 1.956 463 2HD ARG 52 2HD ARG 52 6.729 3.351 1.378 464 HE ARG 52 HE ARG 52 6.101 5.071 3.563 465 1HH1 ARG 52 2HH2 ARG 52 8.477 5.122 0.881 466 2HH1 ARG 52 1HH2 ARG 52 9.706 5.816 1.861 467 1HH2 ARG 52 2HH1 ARG 52 7.702 6.086 4.777 468 2HH2 ARG 52 1HH1 ARG 52 9.261 6.422 4.086 469 H ILE 53 H ILE 53 3.205 2.191 0.133 470 HA ILE 53 HA ILE 53 4.785 0.337 1.622 471 HB ILE 53 HB ILE 53 1.784 0.444 1.048 472 1HG1 ILE 53 1HG1 ILE 53 1.958 1.061 3.690 473 2HG1 ILE 53 2HG1 ILE 53 3.505 1.718 3.179 474 1HG2 ILE 53 1HG2 ILE 53 2.746 -1.786 1.840 475 2HG2 ILE 53 2HG2 ILE 53 3.230 -0.951 3.319 476 3HG2 ILE 53 3HG2 ILE 53 1.517 -1.050 2.883 477 1HD1 ILE 53 1HD1 ILE 53 0.890 2.463 1.884 478 2HD1 ILE 53 2HD1 ILE 53 1.502 3.263 3.340 479 3HD1 ILE 53 3HD1 ILE 53 2.452 3.354 1.846 480 H LYS 54 H LYS 54 2.690 -0.221 -1.243 481 HA LYS 54 HA LYS 54 3.269 -2.972 -1.146 482 1HB LYS 54 1HB LYS 54 2.021 -3.175 -3.155 483 2HB LYS 54 2HB LYS 54 1.321 -1.753 -2.545 484 1HG LYS 54 1HG LYS 54 1.714 -1.118 -4.716 485 2HG LYS 54 2HG LYS 54 3.283 -0.611 -4.094 486 1HD LYS 54 1HD LYS 54 4.433 -2.354 -5.079 487 2HD LYS 54 2HD LYS 54 3.019 -3.427 -5.144 488 1HE LYS 54 1HE LYS 54 1.970 -2.035 -6.858 489 2HE LYS 54 2HE LYS 54 3.305 -0.865 -6.766 490 1HZ LYS 54 1HZ LYS 54 3.496 -2.360 -8.638 491 2HZ LYS 54 2HZ LYS 54 4.785 -2.486 -7.622 492 3HZ LYS 54 3HZ LYS 54 3.619 -3.665 -7.642 493 H THR 55 H THR 55 5.065 -0.274 -2.617 494 HA THR 55 HA THR 55 6.830 -1.926 -4.111 495 HB THR 55 HB THR 55 6.786 0.889 -3.108 496 HG1 THR 55 HG1 THR 55 6.746 1.150 -5.418 497 1HG2 THR 55 1HG2 THR 55 9.179 0.361 -3.040 498 2HG2 THR 55 2HG2 THR 55 9.087 -0.339 -4.677 499 3HG2 THR 55 3HG2 THR 55 8.813 1.396 -4.412 500 H ILE 56 H ILE 56 6.892 -0.928 -0.609 501 HA ILE 56 HA ILE 56 9.571 -1.776 -0.192 502 HB ILE 56 HB ILE 56 7.138 -1.584 1.585 503 1HG1 ILE 56 1HG1 ILE 56 8.542 0.412 0.678 504 2HG1 ILE 56 2HG1 ILE 56 8.012 0.350 2.325 505 1HG2 ILE 56 1HG2 ILE 56 8.249 -3.439 2.623 506 2HG2 ILE 56 2HG2 ILE 56 9.817 -2.639 2.539 507 3HG2 ILE 56 3HG2 ILE 56 8.547 -2.022 3.593 508 1HD1 ILE 56 1HD1 ILE 56 10.259 -0.376 3.085 509 2HD1 ILE 56 2HD1 ILE 56 10.797 -0.406 1.382 510 3HD1 ILE 56 3HD1 ILE 56 10.346 1.129 2.149 511 H LEU 57 H LEU 57 6.553 -3.593 -0.164 512 HA LEU 57 HA LEU 57 7.686 -6.150 0.537 513 1HB LEU 57 1HB LEU 57 5.336 -5.592 0.757 514 2HB LEU 57 2HB LEU 57 5.155 -5.491 -0.977 515 HG LEU 57 HG LEU 57 5.136 -7.705 -1.268 516 1HD1 LEU 57 1HD1 LEU 57 6.158 -9.462 0.172 517 2HD1 LEU 57 2HD1 LEU 57 7.270 -8.361 -0.642 518 3HD1 LEU 57 3HD1 LEU 57 6.927 -8.167 1.097 519 1HD2 LEU 57 1HD2 LEU 57 4.381 -7.676 1.706 520 2HD2 LEU 57 2HD2 LEU 57 3.304 -7.193 0.366 521 3HD2 LEU 57 3HD2 LEU 57 3.861 -8.863 0.506 522 H ARG 58 H ARG 58 6.800 -4.700 -2.533 523 HA ARG 58 HA ARG 58 7.714 -6.612 -4.318 524 1HB ARG 58 1HB ARG 58 6.613 -4.094 -4.517 525 2HB ARG 58 2HB ARG 58 8.183 -3.822 -5.205 526 1HG ARG 58 1HG ARG 58 6.059 -5.837 -6.061 527 2HG ARG 58 2HG ARG 58 6.581 -4.404 -6.928 528 1HD ARG 58 1HD ARG 58 8.906 -5.593 -6.983 529 2HD ARG 58 2HD ARG 58 8.041 -7.037 -6.527 530 HE ARG 58 HE ARG 58 7.406 -7.334 -8.642 531 1HH1 ARG 58 2HH2 ARG 58 8.475 -3.977 -8.519 532 2HH1 ARG 58 1HH2 ARG 58 7.924 -3.578 -10.110 533 1HH2 ARG 58 2HH1 ARG 58 6.625 -6.842 -10.788 534 2HH2 ARG 58 1HH1 ARG 58 6.918 -5.323 -11.469 535 H GLU 59 H GLU 59 9.655 -3.842 -3.163 536 HA GLU 59 HA GLU 59 12.226 -4.339 -4.305 537 1HB GLU 59 1HB GLU 59 11.487 -3.342 -1.544 538 2HB GLU 59 2HB GLU 59 13.040 -3.083 -2.304 539 1HG GLU 59 1HG GLU 59 10.837 -2.019 -3.928 540 2HG GLU 59 2HG GLU 59 10.882 -1.412 -2.293 541 H ARG 60 H ARG 60 10.669 -5.816 -1.420 542 HA ARG 60 HA ARG 60 13.101 -7.329 -0.705 543 1HB ARG 60 1HB ARG 60 10.265 -7.348 0.457 544 2HB ARG 60 2HB ARG 60 11.534 -8.406 1.022 545 1HG ARG 60 1HG ARG 60 12.859 -6.564 1.857 546 2HG ARG 60 2HG ARG 60 11.821 -5.419 1.040 547 1HD ARG 60 1HD ARG 60 10.931 -5.164 3.094 548 2HD ARG 60 2HD ARG 60 9.913 -6.502 2.543 549 HE ARG 60 HE ARG 60 11.851 -7.892 3.787 550 1HH1 ARG 60 2HH2 ARG 60 9.650 -5.422 4.939 551 2HH1 ARG 60 1HH2 ARG 60 10.120 -5.560 6.593 552 1HH2 ARG 60 2HH1 ARG 60 12.124 -8.323 5.950 553 2HH2 ARG 60 1HH1 ARG 60 11.610 -7.249 7.223 554 H GLU 61 H GLU 61 10.507 -7.786 -2.918 555 HA GLU 61 HA GLU 61 10.492 -10.688 -2.719 556 1HB GLU 61 1HB GLU 61 9.497 -8.982 -5.034 557 2HB GLU 61 2HB GLU 61 9.334 -10.706 -4.833 558 1HG GLU 61 1HG GLU 61 8.151 -9.959 -2.536 559 2HG GLU 61 2HG GLU 61 7.974 -8.431 -3.438 560 H LEU 62 H LEU 62 11.975 -8.270 -5.110 561 HA LEU 62 HA LEU 62 13.585 -10.468 -6.127 562 1HB LEU 62 1HB LEU 62 14.230 -7.735 -7.007 563 2HB LEU 62 2HB LEU 62 14.005 -9.206 -7.884 564 HG LEU 62 HG LEU 62 12.424 -7.802 -8.678 565 1HD1 LEU 62 1HD1 LEU 62 10.289 -8.684 -8.353 566 2HD1 LEU 62 2HD1 LEU 62 11.452 -10.010 -8.208 567 3HD1 LEU 62 3HD1 LEU 62 10.692 -9.326 -6.764 568 1HD2 LEU 62 1HD2 LEU 62 10.708 -6.695 -7.009 569 2HD2 LEU 62 2HD2 LEU 62 12.160 -6.697 -5.972 570 3HD2 LEU 62 3HD2 LEU 62 12.201 -5.933 -7.565 571 H GLY 63 H GLY 63 13.993 -8.253 -3.571 572 1HA GLY 63 1HA GLY 63 15.838 -7.820 -2.201 573 2HA GLY 63 2HA GLY 63 16.853 -8.846 -3.268 574 H ILE 64 H ILE 64 14.748 -5.893 -3.971 575 HA ILE 64 HA ILE 64 17.045 -4.394 -4.834 576 HB ILE 64 HB ILE 64 14.068 -3.750 -4.807 577 1HG1 ILE 64 1HG1 ILE 64 15.781 -4.759 -7.085 578 2HG1 ILE 64 2HG1 ILE 64 14.323 -5.509 -6.421 579 1HG2 ILE 64 1HG2 ILE 64 15.444 -1.832 -4.564 580 2HG2 ILE 64 2HG2 ILE 64 16.446 -2.301 -5.940 581 3HG2 ILE 64 3HG2 ILE 64 14.769 -1.799 -6.168 582 1HD1 ILE 64 1HD1 ILE 64 13.793 -4.486 -8.520 583 2HD1 ILE 64 2HD1 ILE 64 12.998 -3.584 -7.207 584 3HD1 ILE 64 3HD1 ILE 64 14.452 -2.927 -8.019 585 H ARG 65 H ARG 65 17.576 -2.995 -3.451 586 HA ARG 65 HA ARG 65 16.770 -1.168 -1.861 587 1HB ARG 65 1HB ARG 65 16.749 -3.808 -0.354 588 2HB ARG 65 2HB ARG 65 17.422 -2.377 0.322 589 1HG ARG 65 1HG ARG 65 14.640 -2.059 -0.818 590 2HG ARG 65 2HG ARG 65 14.790 -3.081 0.593 591 1HD ARG 65 1HD ARG 65 14.232 -0.896 1.331 592 2HD ARG 65 2HD ARG 65 15.871 -1.260 1.852 593 HE ARG 65 HE ARG 65 15.176 0.404 -0.554 594 1HH1 ARG 65 2HH2 ARG 65 17.273 0.008 2.319 595 2HH1 ARG 65 1HH2 ARG 65 17.859 1.630 2.213 596 1HH2 ARG 65 2HH1 ARG 65 16.131 2.431 -0.714 597 2HH2 ARG 65 1HH1 ARG 65 17.246 3.001 0.539 598 H ARG 66 H ARG 66 18.531 -0.102 -2.020 599 HA ARG 66 HA ARG 66 21.198 -1.163 -2.094 600 1HB ARG 66 1HB ARG 66 21.833 1.178 -1.532 601 2HB ARG 66 2HB ARG 66 20.667 1.077 -2.882 602 1HG ARG 66 1HG ARG 66 18.870 1.844 -1.587 603 2HG ARG 66 2HG ARG 66 19.679 1.578 -0.047 604 1HD ARG 66 1HD ARG 66 20.769 3.562 -2.059 605 2HD ARG 66 2HD ARG 66 19.434 3.960 -0.961 606 HE ARG 66 HE ARG 66 21.684 2.792 0.437 607 1HH1 ARG 66 2HH2 ARG 66 20.507 5.847 -0.938 608 2HH1 ARG 66 1HH2 ARG 66 21.248 6.854 0.236 609 1HH2 ARG 66 2HH1 ARG 66 22.740 4.125 1.994 610 2HH2 ARG 66 1HH1 ARG 66 22.299 5.809 2.113 Start of MODEL 18 1 1H MET 1 1H MET 1 11.277 8.195 -1.141 2 HA MET 1 HA MET 1 12.008 10.151 0.955 3 1HB MET 1 1HB MET 1 9.556 10.057 0.154 4 2HB MET 1 2HB MET 1 9.459 8.504 0.969 5 1HG MET 1 1HG MET 1 10.249 11.080 2.371 6 2HG MET 1 2HG MET 1 8.585 10.520 2.187 7 1HE MET 1 1HE MET 1 7.835 10.253 4.690 8 2HE MET 1 2HE MET 1 8.968 9.695 5.931 9 3HE MET 1 3HE MET 1 9.329 11.168 5.006 10 H LYS 2 H LYS 2 12.562 9.157 3.004 11 HA LYS 2 HA LYS 2 13.854 6.622 2.852 12 1HB LYS 2 1HB LYS 2 14.261 6.863 5.174 13 2HB LYS 2 2HB LYS 2 14.359 8.462 4.496 14 1HG LYS 2 1HG LYS 2 11.624 7.793 5.528 15 2HG LYS 2 2HG LYS 2 12.879 7.626 6.722 16 1HD LYS 2 1HD LYS 2 13.652 10.001 6.081 17 2HD LYS 2 2HD LYS 2 12.190 10.104 5.089 18 1HE LYS 2 1HE LYS 2 11.692 11.116 7.202 19 2HE LYS 2 2HE LYS 2 10.820 9.579 7.142 20 1HZ LYS 2 1HZ LYS 2 13.310 9.080 8.279 21 2HZ LYS 2 2HZ LYS 2 12.730 10.445 9.006 22 3HZ LYS 2 3HZ LYS 2 11.842 9.087 9.031 23 H ALA 3 H ALA 3 13.279 4.808 4.551 24 HA ALA 3 HA ALA 3 10.364 4.351 4.609 25 1HB ALA 3 1HB ALA 3 11.437 2.906 2.858 26 2HB ALA 3 2HB ALA 3 12.213 2.036 4.212 27 3HB ALA 3 3HB ALA 3 10.448 2.117 4.122 28 H SER 4 H SER 4 12.867 5.007 6.641 29 HA SER 4 HA SER 4 13.118 2.879 8.331 30 1HB SER 4 1HB SER 4 13.163 5.839 9.007 31 2HB SER 4 2HB SER 4 13.644 4.557 10.143 32 HG SER 4 HG SER 4 14.767 4.850 7.528 33 H GLU 5 H GLU 5 10.340 4.987 8.285 34 HA GLU 5 HA GLU 5 8.824 3.875 10.438 35 1HB GLU 5 1HB GLU 5 6.940 4.924 9.113 36 2HB GLU 5 2HB GLU 5 8.254 6.000 9.580 37 1HG GLU 5 1HG GLU 5 9.218 5.703 7.200 38 2HG GLU 5 2HG GLU 5 7.702 4.931 6.782 39 H LEU 6 H LEU 6 8.423 3.299 6.938 40 HA LEU 6 HA LEU 6 6.627 1.054 7.264 41 1HB LEU 6 1HB LEU 6 8.287 2.309 4.987 42 2HB LEU 6 2HB LEU 6 7.446 0.831 4.672 43 HG LEU 6 HG LEU 6 6.173 3.436 5.697 44 1HD1 LEU 6 1HD1 LEU 6 6.171 2.203 2.908 45 2HD1 LEU 6 2HD1 LEU 6 5.374 3.715 3.423 46 3HD1 LEU 6 3HD1 LEU 6 7.144 3.599 3.434 47 1HD2 LEU 6 1HD2 LEU 6 4.759 1.485 6.288 48 2HD2 LEU 6 2HD2 LEU 6 4.007 2.477 5.063 49 3HD2 LEU 6 3HD2 LEU 6 4.786 0.945 4.596 50 H ARG 7 H ARG 7 10.154 1.079 6.766 51 HA ARG 7 HA ARG 7 10.294 -1.781 6.400 52 1HB ARG 7 1HB ARG 7 11.886 0.031 5.546 53 2HB ARG 7 2HB ARG 7 12.464 0.243 7.199 54 1HG ARG 7 1HG ARG 7 12.442 -2.555 6.206 55 2HG ARG 7 2HG ARG 7 13.473 -1.463 5.279 56 1HD ARG 7 1HD ARG 7 14.800 -0.904 7.214 57 2HD ARG 7 2HD ARG 7 13.693 -1.728 8.303 58 HE ARG 7 HE ARG 7 15.446 -3.009 6.247 59 1HH1 ARG 7 2HH2 ARG 7 13.553 -3.416 9.296 60 2HH1 ARG 7 1HH2 ARG 7 14.242 -4.987 9.572 61 1HH2 ARG 7 2HH1 ARG 7 16.075 -5.155 6.619 62 2HH2 ARG 7 1HH1 ARG 7 15.720 -5.913 8.155 63 H ASN 8 H ASN 8 9.542 0.083 9.080 64 HA ASN 8 HA ASN 8 11.170 -1.379 11.042 65 1HB ASN 8 1HB ASN 8 9.880 1.104 11.101 66 2HB ASN 8 2HB ASN 8 8.839 0.130 12.097 67 1HD2 ASN 8 1HD2 ASN 8 11.491 2.062 12.058 68 2HD2 ASN 8 2HD2 ASN 8 12.214 1.596 13.587 69 H TYR 9 H TYR 9 8.029 -2.073 9.428 70 HA TYR 9 HA TYR 9 6.862 -3.198 11.648 71 1HB TYR 9 1HB TYR 9 6.335 -3.073 8.745 72 2HB TYR 9 2HB TYR 9 5.342 -4.093 9.789 73 HD1 TYR 9 HD1 TYR 9 5.353 -1.316 7.989 74 HD2 TYR 9 HD2 TYR 9 4.889 -2.377 12.118 75 HE1 TYR 9 HE1 TYR 9 3.931 0.734 8.354 76 HE2 TYR 9 HE2 TYR 9 3.532 -0.326 12.510 77 HH TYR 9 HH TYR 9 2.027 1.370 10.080 78 H THR 10 H THR 10 6.450 -5.545 12.043 79 HA THR 10 HA THR 10 8.930 -7.051 11.724 80 HB THR 10 HB THR 10 7.577 -8.868 12.644 81 HG1 THR 10 HG1 THR 10 5.506 -7.651 13.669 82 1HG2 THR 10 1HG2 THR 10 7.362 -6.269 14.254 83 2HG2 THR 10 2HG2 THR 10 7.359 -7.920 14.935 84 3HG2 THR 10 3HG2 THR 10 8.812 -7.298 14.138 85 H ASP 11 H ASP 11 8.956 -9.177 10.544 86 HA ASP 11 HA ASP 11 8.135 -9.048 7.892 87 1HB ASP 11 1HB ASP 11 9.033 -11.222 9.726 88 2HB ASP 11 2HB ASP 11 8.216 -11.707 8.250 89 H GLU 12 H GLU 12 6.195 -9.964 10.607 90 HA GLU 12 HA GLU 12 3.999 -11.106 9.051 91 1HB GLU 12 1HB GLU 12 4.899 -11.576 11.529 92 2HB GLU 12 2HB GLU 12 3.937 -10.209 11.957 93 1HG GLU 12 1HG GLU 12 2.105 -11.473 12.067 94 2HG GLU 12 2HG GLU 12 2.221 -11.825 10.344 95 H GLU 13 H GLU 13 4.641 -8.042 10.924 96 HA GLU 13 HA GLU 13 2.035 -6.916 10.324 97 1HB GLU 13 1HB GLU 13 4.663 -5.817 11.362 98 2HB GLU 13 2HB GLU 13 3.449 -4.696 10.804 99 1HG GLU 13 1HG GLU 13 2.069 -6.606 12.467 100 2HG GLU 13 2HG GLU 13 3.567 -6.209 13.288 101 H LEU 14 H LEU 14 5.192 -6.841 8.746 102 HA LEU 14 HA LEU 14 4.801 -4.751 6.924 103 1HB LEU 14 1HB LEU 14 6.437 -7.333 6.786 104 2HB LEU 14 2HB LEU 14 6.561 -6.104 5.535 105 HG LEU 14 HG LEU 14 7.016 -5.424 8.421 106 1HD1 LEU 14 1HD1 LEU 14 8.670 -7.041 8.229 107 2HD1 LEU 14 2HD1 LEU 14 8.966 -6.681 6.499 108 3HD1 LEU 14 3HD1 LEU 14 9.493 -5.568 7.785 109 1HD2 LEU 14 1HD2 LEU 14 8.378 -4.064 6.132 110 2HD2 LEU 14 2HD2 LEU 14 6.773 -3.571 6.731 111 3HD2 LEU 14 3HD2 LEU 14 8.141 -3.590 7.861 112 H LYS 15 H LYS 15 4.340 -8.307 6.298 113 HA LYS 15 HA LYS 15 3.063 -7.748 3.810 114 1HB LYS 15 1HB LYS 15 2.107 -10.067 4.053 115 2HB LYS 15 2HB LYS 15 3.851 -10.003 4.200 116 1HG LYS 15 1HG LYS 15 3.501 -11.465 5.836 117 2HG LYS 15 2HG LYS 15 3.413 -9.984 6.798 118 1HD LYS 15 1HD LYS 15 1.016 -10.204 6.978 119 2HD LYS 15 2HD LYS 15 0.885 -11.242 5.570 120 1HE LYS 15 1HE LYS 15 2.203 -12.073 8.188 121 2HE LYS 15 2HE LYS 15 0.477 -12.263 7.861 122 1HZ LYS 15 1HZ LYS 15 2.674 -13.553 6.390 123 2HZ LYS 15 2HZ LYS 15 1.597 -14.273 7.354 124 3HZ LYS 15 3HZ LYS 15 1.133 -13.606 5.878 125 H ASN 16 H ASN 16 1.687 -8.048 7.126 126 HA ASN 16 HA ASN 16 -0.967 -8.064 6.075 127 1HB ASN 16 1HB ASN 16 0.098 -8.811 8.400 128 2HB ASN 16 2HB ASN 16 -0.096 -7.122 8.845 129 1HD2 ASN 16 1HD2 ASN 16 -1.384 -8.451 10.553 130 2HD2 ASN 16 2HD2 ASN 16 -3.092 -8.519 10.225 131 H LEU 17 H LEU 17 1.213 -5.602 6.143 132 HA LEU 17 HA LEU 17 -0.690 -3.323 6.521 133 1HB LEU 17 1HB LEU 17 1.305 -3.408 7.902 134 2HB LEU 17 2HB LEU 17 2.334 -3.704 6.522 135 HG LEU 17 HG LEU 17 2.455 -1.498 7.605 136 1HD1 LEU 17 1HD1 LEU 17 3.091 -0.390 5.620 137 2HD1 LEU 17 2HD1 LEU 17 3.413 -2.128 5.353 138 3HD1 LEU 17 3HD1 LEU 17 1.991 -1.350 4.635 139 1HD2 LEU 17 1HD2 LEU 17 0.962 0.271 6.927 140 2HD2 LEU 17 2HD2 LEU 17 -0.060 -0.850 6.014 141 3HD2 LEU 17 3HD2 LEU 17 0.053 -0.986 7.782 142 H LEU 18 H LEU 18 1.906 -4.576 4.522 143 HA LEU 18 HA LEU 18 1.354 -2.645 2.366 144 1HB LEU 18 1HB LEU 18 2.825 -5.131 1.663 145 2HB LEU 18 2HB LEU 18 3.107 -3.558 1.138 146 HG LEU 18 HG LEU 18 3.846 -3.826 3.951 147 1HD1 LEU 18 1HD1 LEU 18 5.585 -5.281 3.823 148 2HD1 LEU 18 2HD1 LEU 18 4.195 -6.153 3.159 149 3HD1 LEU 18 3HD1 LEU 18 5.415 -5.523 2.050 150 1HD2 LEU 18 1HD2 LEU 18 4.831 -2.026 2.543 151 2HD2 LEU 18 2HD2 LEU 18 6.070 -3.086 3.164 152 3HD2 LEU 18 3HD2 LEU 18 5.534 -3.259 1.485 153 H GLU 19 H GLU 19 0.436 -5.991 3.050 154 HA GLU 19 HA GLU 19 -0.985 -6.279 0.569 155 1HB GLU 19 1HB GLU 19 -1.907 -8.155 1.344 156 2HB GLU 19 2HB GLU 19 -0.444 -8.112 2.349 157 1HG GLU 19 1HG GLU 19 -1.816 -7.298 4.237 158 2HG GLU 19 2HG GLU 19 -3.259 -7.422 3.222 159 H GLU 20 H GLU 20 -1.683 -4.518 3.545 160 HA GLU 20 HA GLU 20 -4.486 -4.338 3.163 161 1HB GLU 20 1HB GLU 20 -3.313 -4.088 5.328 162 2HB GLU 20 2HB GLU 20 -2.758 -2.497 4.829 163 1HG GLU 20 1HG GLU 20 -5.004 -1.620 4.679 164 2HG GLU 20 2HG GLU 20 -5.694 -3.250 4.798 165 H LYS 21 H LYS 21 -1.853 -1.848 2.640 166 HA LYS 21 HA LYS 21 -3.402 0.003 1.262 167 1HB LYS 21 1HB LYS 21 -0.488 -0.809 1.160 168 2HB LYS 21 2HB LYS 21 -1.064 0.678 0.455 169 1HG LYS 21 1HG LYS 21 -0.928 -0.147 3.366 170 2HG LYS 21 2HG LYS 21 0.062 1.044 2.567 171 1HD LYS 21 1HD LYS 21 -2.902 1.403 3.012 172 2HD LYS 21 2HD LYS 21 -1.649 1.869 4.164 173 1HE LYS 21 1HE LYS 21 -0.619 3.304 2.287 174 2HE LYS 21 2HE LYS 21 -2.145 3.067 1.416 175 1HZ LYS 21 1HZ LYS 21 -1.791 4.249 4.107 176 2HZ LYS 21 2HZ LYS 21 -2.153 5.069 2.756 177 3HZ LYS 21 3HZ LYS 21 -3.251 4.013 3.416 178 H LYS 22 H LYS 22 -1.241 -2.635 -0.198 179 HA LYS 22 HA LYS 22 -2.082 -2.417 -2.767 180 1HB LYS 22 1HB LYS 22 -0.368 -3.995 -2.096 181 2HB LYS 22 2HB LYS 22 -1.570 -5.034 -1.296 182 1HG LYS 22 1HG LYS 22 -2.699 -5.383 -3.466 183 2HG LYS 22 2HG LYS 22 -1.508 -4.332 -4.256 184 1HD LYS 22 1HD LYS 22 0.215 -5.977 -3.998 185 2HD LYS 22 2HD LYS 22 -0.783 -6.940 -2.870 186 1HE LYS 22 1HE LYS 22 -2.447 -7.377 -4.581 187 2HE LYS 22 2HE LYS 22 -1.654 -6.286 -5.725 188 1HZ LYS 22 1HZ LYS 22 -0.402 -8.747 -4.716 189 2HZ LYS 22 2HZ LYS 22 -1.266 -8.667 -6.116 190 3HZ LYS 22 3HZ LYS 22 0.130 -7.794 -5.944 191 H ARG 23 H ARG 23 -4.150 -4.239 -0.234 192 HA ARG 23 HA ARG 23 -6.018 -4.854 -2.346 193 1HB ARG 23 1HB ARG 23 -7.516 -5.561 -0.626 194 2HB ARG 23 2HB ARG 23 -5.923 -6.275 -0.395 195 1HG ARG 23 1HG ARG 23 -5.480 -4.705 1.394 196 2HG ARG 23 2HG ARG 23 -7.037 -3.923 1.204 197 1HD ARG 23 1HD ARG 23 -6.806 -5.406 3.100 198 2HD ARG 23 2HD ARG 23 -8.176 -5.782 2.050 199 HE ARG 23 HE ARG 23 -5.767 -7.356 2.598 200 1HH1 ARG 23 2HH2 ARG 23 -8.894 -7.190 0.808 201 2HH1 ARG 23 1HH2 ARG 23 -8.917 -8.904 0.550 202 1HH2 ARG 23 2HH1 ARG 23 -5.812 -9.607 2.048 203 2HH2 ARG 23 1HH1 ARG 23 -7.081 -10.245 1.101 204 H GLN 24 H GLN 24 -5.954 -2.340 0.300 205 HA GLN 24 HA GLN 24 -8.336 -1.167 -0.061 206 1HB GLN 24 1HB GLN 24 -5.605 -0.024 0.514 207 2HB GLN 24 2HB GLN 24 -6.995 0.990 0.343 208 1HG GLN 24 1HG GLN 24 -8.058 -0.717 2.154 209 2HG GLN 24 2HG GLN 24 -6.360 -0.854 2.611 210 1HE2 GLN 24 1HE2 GLN 24 -7.452 0.119 4.719 211 2HE2 GLN 24 2HE2 GLN 24 -7.446 1.825 4.792 212 H LEU 25 H LEU 25 -5.472 -0.545 -2.148 213 HA LEU 25 HA LEU 25 -6.741 1.429 -3.782 214 1HB LEU 25 1HB LEU 25 -4.409 1.005 -4.058 215 2HB LEU 25 2HB LEU 25 -4.659 -0.718 -4.307 216 HG LEU 25 HG LEU 25 -5.752 -0.100 -6.555 217 1HD1 LEU 25 1HD1 LEU 25 -6.521 2.156 -5.956 218 2HD1 LEU 25 2HD1 LEU 25 -4.870 2.674 -5.596 219 3HD1 LEU 25 3HD1 LEU 25 -5.353 2.255 -7.278 220 1HD2 LEU 25 1HD2 LEU 25 -3.721 0.525 -7.718 221 2HD2 LEU 25 2HD2 LEU 25 -2.952 1.036 -6.195 222 3HD2 LEU 25 3HD2 LEU 25 -3.360 -0.676 -6.482 223 H MET 26 H MET 26 -6.638 -2.101 -4.220 224 HA MET 26 HA MET 26 -8.465 -2.091 -6.460 225 1HB MET 26 1HB MET 26 -7.516 -4.346 -4.634 226 2HB MET 26 2HB MET 26 -8.437 -4.574 -6.121 227 1HG MET 26 1HG MET 26 -5.685 -3.292 -5.912 228 2HG MET 26 2HG MET 26 -6.027 -4.926 -6.470 229 1HE MET 26 1HE MET 26 -8.260 -5.007 -8.441 230 2HE MET 26 2HE MET 26 -7.390 -4.647 -9.949 231 3HE MET 26 3HE MET 26 -6.621 -5.642 -8.703 232 H GLU 27 H GLU 27 -8.939 -2.106 -2.994 233 HA GLU 27 HA GLU 27 -11.576 -3.357 -3.093 234 1HB GLU 27 1HB GLU 27 -10.173 -1.986 -0.805 235 2HB GLU 27 2HB GLU 27 -11.577 -3.042 -0.685 236 1HG GLU 27 1HG GLU 27 -9.221 -4.287 -2.015 237 2HG GLU 27 2HG GLU 27 -8.965 -3.766 -0.360 238 H LEU 28 H LEU 28 -10.184 -0.044 -2.443 239 HA LEU 28 HA LEU 28 -12.718 1.144 -1.972 240 1HB LEU 28 1HB LEU 28 -10.039 2.250 -2.826 241 2HB LEU 28 2HB LEU 28 -11.373 3.242 -2.296 242 HG LEU 28 HG LEU 28 -10.079 1.125 -0.529 243 1HD1 LEU 28 1HD1 LEU 28 -9.618 4.128 -0.559 244 2HD1 LEU 28 2HD1 LEU 28 -8.828 2.909 0.485 245 3HD1 LEU 28 3HD1 LEU 28 -8.528 2.898 -1.252 246 1HD2 LEU 28 1HD2 LEU 28 -11.967 3.371 0.191 247 2HD2 LEU 28 2HD2 LEU 28 -12.312 1.619 0.208 248 3HD2 LEU 28 3HD2 LEU 28 -11.125 2.264 1.322 249 H ARG 29 H ARG 29 -10.751 0.642 -4.892 250 HA ARG 29 HA ARG 29 -12.579 2.093 -6.618 251 1HB ARG 29 1HB ARG 29 -11.645 1.010 -8.524 252 2HB ARG 29 2HB ARG 29 -10.329 1.473 -7.446 253 1HG ARG 29 1HG ARG 29 -10.129 -0.787 -6.656 254 2HG ARG 29 2HG ARG 29 -11.513 -1.350 -7.584 255 1HD ARG 29 1HD ARG 29 -8.933 -0.297 -8.810 256 2HD ARG 29 2HD ARG 29 -9.341 -1.998 -8.587 257 HE ARG 29 HE ARG 29 -11.200 -1.816 -10.051 258 1HH1 ARG 29 2HH2 ARG 29 -8.811 0.739 -10.480 259 2HH1 ARG 29 1HH2 ARG 29 -9.735 1.656 -11.628 260 1HH2 ARG 29 2HH1 ARG 29 -12.309 -0.815 -11.794 261 2HH2 ARG 29 1HH1 ARG 29 -11.753 0.691 -12.462 262 H PHE 30 H PHE 30 -12.799 -1.049 -5.085 263 HA PHE 30 HA PHE 30 -15.022 -1.938 -6.724 264 1HB PHE 30 1HB PHE 30 -13.331 -3.477 -5.893 265 2HB PHE 30 2HB PHE 30 -13.669 -3.050 -4.248 266 HD1 PHE 30 HD1 PHE 30 -15.909 -3.583 -3.205 267 HD2 PHE 30 HD2 PHE 30 -14.562 -5.249 -6.958 268 HE1 PHE 30 HE1 PHE 30 -17.363 -5.553 -2.866 269 HE2 PHE 30 HE2 PHE 30 -16.025 -7.217 -6.595 270 HZ PHE 30 HZ PHE 30 -17.394 -7.383 -4.518 271 H GLN 31 H GLN 31 -14.637 0.130 -3.681 272 HA GLN 31 HA GLN 31 -17.368 -0.317 -2.903 273 1HB GLN 31 1HB GLN 31 -15.236 1.765 -2.185 274 2HB GLN 31 2HB GLN 31 -16.864 1.697 -1.501 275 1HG GLN 31 1HG GLN 31 -16.361 -0.675 -0.800 276 2HG GLN 31 2HG GLN 31 -14.676 -0.390 -1.218 277 1HE2 GLN 31 1HE2 GLN 31 -15.908 -0.983 1.430 278 2HE2 GLN 31 2HE2 GLN 31 -15.316 0.266 2.485 279 H LEU 32 H LEU 32 -15.380 1.730 -4.975 280 HA LEU 32 HA LEU 32 -17.519 3.557 -5.618 281 1HB LEU 32 1HB LEU 32 -14.997 3.923 -6.064 282 2HB LEU 32 2HB LEU 32 -15.212 2.903 -7.482 283 HG LEU 32 HG LEU 32 -17.062 4.508 -8.223 284 1HD1 LEU 32 1HD1 LEU 32 -15.938 6.110 -5.890 285 2HD1 LEU 32 2HD1 LEU 32 -16.946 6.809 -7.168 286 3HD1 LEU 32 3HD1 LEU 32 -17.605 5.574 -6.086 287 1HD2 LEU 32 1HD2 LEU 32 -15.483 6.231 -9.026 288 2HD2 LEU 32 2HD2 LEU 32 -14.250 5.608 -7.903 289 3HD2 LEU 32 3HD2 LEU 32 -14.866 4.589 -9.230 290 H ALA 33 H ALA 33 -16.285 0.622 -7.233 291 HA ALA 33 HA ALA 33 -18.034 0.528 -9.434 292 1HB ALA 33 1HB ALA 33 -16.948 -1.753 -7.718 293 2HB ALA 33 2HB ALA 33 -17.704 -1.934 -9.280 294 3HB ALA 33 3HB ALA 33 -16.162 -1.049 -9.160 295 H MET 34 H MET 34 -18.562 -0.463 -6.010 296 HA MET 34 HA MET 34 -21.148 -1.574 -6.515 297 1HB MET 34 1HB MET 34 -19.501 -0.803 -4.073 298 2HB MET 34 2HB MET 34 -21.125 -1.439 -3.927 299 1HG MET 34 1HG MET 34 -19.185 -3.001 -5.621 300 2HG MET 34 2HG MET 34 -18.929 -2.992 -3.892 301 1HE MET 34 1HE MET 34 -22.609 -4.887 -5.995 302 2HE MET 34 2HE MET 34 -22.501 -3.127 -5.914 303 3HE MET 34 3HE MET 34 -21.275 -4.056 -6.823 304 H GLY 35 H GLY 35 -19.932 1.469 -5.082 305 1HA GLY 35 1HA GLY 35 -21.059 3.531 -5.762 306 2HA GLY 35 2HA GLY 35 -22.619 2.733 -5.506 307 H GLN 36 H GLN 36 -19.654 2.586 -3.472 308 HA GLN 36 HA GLN 36 -21.227 3.650 -1.156 309 1HB GLN 36 1HB GLN 36 -19.106 1.471 -1.129 310 2HB GLN 36 2HB GLN 36 -20.220 1.902 0.164 311 1HG GLN 36 1HG GLN 36 -20.929 0.707 -2.537 312 2HG GLN 36 2HG GLN 36 -20.822 -0.205 -1.024 313 1HE2 GLN 36 1HE2 GLN 36 -23.310 0.109 -2.801 314 2HE2 GLN 36 2HE2 GLN 36 -24.455 0.891 -1.772 315 H LEU 37 H LEU 37 -18.276 3.535 -2.885 316 HA LEU 37 HA LEU 37 -16.366 4.461 -1.111 317 1HB LEU 37 1HB LEU 37 -15.847 3.718 -3.310 318 2HB LEU 37 2HB LEU 37 -16.531 5.183 -4.023 319 HG LEU 37 HG LEU 37 -14.463 5.425 -1.891 320 1HD1 LEU 37 1HD1 LEU 37 -12.554 5.214 -3.385 321 2HD1 LEU 37 2HD1 LEU 37 -13.420 3.748 -2.951 322 3HD1 LEU 37 3HD1 LEU 37 -13.611 4.454 -4.582 323 1HD2 LEU 37 1HD2 LEU 37 -15.532 7.406 -3.375 324 2HD2 LEU 37 2HD2 LEU 37 -13.805 7.430 -3.005 325 3HD2 LEU 37 3HD2 LEU 37 -14.368 6.859 -4.574 326 H LYS 38 H LYS 38 -15.438 6.484 -0.462 327 HA LYS 38 HA LYS 38 -17.154 8.891 -0.822 328 1HB LYS 38 1HB LYS 38 -16.998 7.682 1.543 329 2HB LYS 38 2HB LYS 38 -15.438 8.480 1.646 330 1HG LYS 38 1HG LYS 38 -18.106 9.866 1.097 331 2HG LYS 38 2HG LYS 38 -17.388 9.689 2.698 332 1HD LYS 38 1HD LYS 38 -15.450 11.063 2.027 333 2HD LYS 38 2HD LYS 38 -16.147 11.240 0.396 334 1HE LYS 38 1HE LYS 38 -18.188 12.257 1.393 335 2HE LYS 38 2HE LYS 38 -17.398 12.236 2.970 336 1HZ LYS 38 1HZ LYS 38 -15.657 13.655 2.037 337 2HZ LYS 38 2HZ LYS 38 -16.401 13.680 0.575 338 3HZ LYS 38 3HZ LYS 38 -17.144 14.356 1.873 339 H ASN 39 H ASN 39 -16.132 10.452 -1.809 340 HA ASN 39 HA ASN 39 -14.736 11.552 -3.064 341 1HB ASN 39 1HB ASN 39 -13.618 11.682 -0.322 342 2HB ASN 39 2HB ASN 39 -12.544 12.214 -1.605 343 1HD2 ASN 39 1HD2 ASN 39 -12.625 14.522 -1.589 344 2HD2 ASN 39 2HD2 ASN 39 -14.124 15.331 -1.957 345 H THR 40 H THR 40 -14.046 10.462 -4.865 346 HA THR 40 HA THR 40 -12.066 8.427 -4.920 347 HB THR 40 HB THR 40 -11.886 9.065 -7.340 348 HG1 THR 40 HG1 THR 40 -12.510 10.924 -7.919 349 1HG2 THR 40 1HG2 THR 40 -13.634 7.482 -6.649 350 2HG2 THR 40 2HG2 THR 40 -14.756 8.826 -6.325 351 3HG2 THR 40 3HG2 THR 40 -14.195 8.510 -7.976 352 H SER 41 H SER 41 -11.776 11.887 -4.545 353 HA SER 41 HA SER 41 -9.102 12.361 -5.236 354 1HB SER 41 1HB SER 41 -10.659 13.394 -2.833 355 2HB SER 41 2HB SER 41 -9.216 14.147 -3.556 356 HG SER 41 HG SER 41 -11.814 13.830 -4.681 357 H LEU 42 H LEU 42 -10.386 10.468 -2.473 358 HA LEU 42 HA LEU 42 -7.802 10.272 -1.146 359 1HB LEU 42 1HB LEU 42 -9.908 10.329 0.090 360 2HB LEU 42 2HB LEU 42 -10.484 8.887 -0.686 361 HG LEU 42 HG LEU 42 -7.824 8.690 0.633 362 1HD1 LEU 42 1HD1 LEU 42 -10.400 8.857 2.255 363 2HD1 LEU 42 2HD1 LEU 42 -8.789 8.469 2.884 364 3HD1 LEU 42 3HD1 LEU 42 -9.103 10.073 2.245 365 1HD2 LEU 42 1HD2 LEU 42 -8.608 6.473 1.293 366 2HD2 LEU 42 2HD2 LEU 42 -10.248 6.847 0.735 367 3HD2 LEU 42 3HD2 LEU 42 -8.921 6.695 -0.429 368 H ILE 43 H ILE 43 -9.864 8.083 -3.215 369 HA ILE 43 HA ILE 43 -8.122 5.973 -3.377 370 HB ILE 43 HB ILE 43 -10.342 6.937 -4.829 371 1HG1 ILE 43 1HG1 ILE 43 -10.103 4.761 -3.650 372 2HG1 ILE 43 2HG1 ILE 43 -10.828 4.642 -5.242 373 1HG2 ILE 43 1HG2 ILE 43 -10.055 6.118 -7.089 374 2HG2 ILE 43 2HG2 ILE 43 -9.035 7.521 -6.749 375 3HG2 ILE 43 3HG2 ILE 43 -8.314 5.912 -6.789 376 1HD1 ILE 43 1HD1 ILE 43 -7.937 3.904 -4.572 377 2HD1 ILE 43 2HD1 ILE 43 -9.278 2.770 -4.857 378 3HD1 ILE 43 3HD1 ILE 43 -8.693 3.768 -6.181 379 H LYS 44 H LYS 44 -7.818 9.057 -5.274 380 HA LYS 44 HA LYS 44 -5.678 8.577 -6.792 381 1HB LYS 44 1HB LYS 44 -7.352 10.660 -6.146 382 2HB LYS 44 2HB LYS 44 -5.991 11.177 -5.161 383 1HG LYS 44 1HG LYS 44 -5.977 10.553 -8.043 384 2HG LYS 44 2HG LYS 44 -6.078 12.223 -7.422 385 1HD LYS 44 1HD LYS 44 -3.855 10.245 -7.064 386 2HD LYS 44 2HD LYS 44 -3.785 11.543 -8.223 387 1HE LYS 44 1HE LYS 44 -4.173 12.158 -5.261 388 2HE LYS 44 2HE LYS 44 -2.579 11.736 -5.866 389 1HZ LYS 44 1HZ LYS 44 -2.579 13.566 -7.344 390 2HZ LYS 44 2HZ LYS 44 -4.143 13.961 -7.060 391 3HZ LYS 44 3HZ LYS 44 -3.019 14.185 -5.903 392 H LEU 45 H LEU 45 -5.650 9.661 -3.460 393 HA LEU 45 HA LEU 45 -2.829 9.875 -3.059 394 1HB LEU 45 1HB LEU 45 -5.358 9.946 -1.411 395 2HB LEU 45 2HB LEU 45 -3.900 9.444 -0.637 396 HG LEU 45 HG LEU 45 -4.130 11.713 -0.175 397 1HD1 LEU 45 1HD1 LEU 45 -2.080 12.596 -0.875 398 2HD1 LEU 45 2HD1 LEU 45 -1.834 10.846 -0.933 399 3HD1 LEU 45 3HD1 LEU 45 -2.132 11.756 -2.437 400 1HD2 LEU 45 1HD2 LEU 45 -4.508 12.166 -3.160 401 2HD2 LEU 45 2HD2 LEU 45 -5.699 12.377 -1.854 402 3HD2 LEU 45 3HD2 LEU 45 -4.297 13.438 -1.938 403 H THR 46 H THR 46 -5.305 7.287 -2.851 404 HA THR 46 HA THR 46 -3.702 5.627 -1.191 405 HB THR 46 HB THR 46 -6.215 5.118 -2.859 406 HG1 THR 46 HG1 THR 46 -6.474 6.749 -1.269 407 1HG2 THR 46 1HG2 THR 46 -6.489 3.463 -0.845 408 2HG2 THR 46 2HG2 THR 46 -5.614 3.008 -2.321 409 3HG2 THR 46 3HG2 THR 46 -4.731 3.525 -0.853 410 H LYS 47 H LYS 47 -4.269 5.845 -4.794 411 HA LYS 47 HA LYS 47 -2.505 3.662 -5.315 412 1HB LYS 47 1HB LYS 47 -2.193 5.105 -7.583 413 2HB LYS 47 2HB LYS 47 -3.282 3.725 -7.330 414 1HG LYS 47 1HG LYS 47 -4.024 6.372 -6.434 415 2HG LYS 47 2HG LYS 47 -3.912 6.217 -8.168 416 1HD LYS 47 1HD LYS 47 -5.663 4.482 -6.420 417 2HD LYS 47 2HD LYS 47 -6.209 5.987 -7.204 418 1HE LYS 47 1HE LYS 47 -5.364 5.199 -9.421 419 2HE LYS 47 2HE LYS 47 -5.123 3.594 -8.750 420 1HZ LYS 47 1HZ LYS 47 -7.553 3.503 -8.409 421 2HZ LYS 47 2HZ LYS 47 -7.718 5.016 -9.050 422 3HZ LYS 47 3HZ LYS 47 -7.147 3.854 -9.981 423 H ARG 48 H ARG 48 -1.690 7.016 -4.706 424 HA ARG 48 HA ARG 48 1.050 6.735 -5.682 425 1HB ARG 48 1HB ARG 48 0.600 8.461 -3.257 426 2HB ARG 48 2HB ARG 48 1.529 8.765 -4.721 427 1HG ARG 48 1HG ARG 48 -0.852 9.025 -5.818 428 2HG ARG 48 2HG ARG 48 -1.364 9.033 -4.124 429 1HD ARG 48 1HD ARG 48 -1.119 11.333 -4.617 430 2HD ARG 48 2HD ARG 48 0.364 10.910 -3.760 431 HE ARG 48 HE ARG 48 0.150 10.945 -6.764 432 1HH1 ARG 48 2HH2 ARG 48 1.746 12.259 -3.892 433 2HH1 ARG 48 1HH2 ARG 48 3.175 12.761 -4.712 434 1HH2 ARG 48 2HH1 ARG 48 1.853 11.904 -7.935 435 2HH2 ARG 48 1HH1 ARG 48 3.072 12.817 -7.076 436 H ASP 49 H ASP 49 -0.580 6.294 -2.528 437 HA ASP 49 HA ASP 49 1.826 5.615 -1.203 438 1HB ASP 49 1HB ASP 49 -0.556 6.572 -0.549 439 2HB ASP 49 2HB ASP 49 -0.852 4.898 -0.046 440 H ILE 50 H ILE 50 -0.863 3.680 -2.604 441 HA ILE 50 HA ILE 50 0.109 1.206 -1.734 442 HB ILE 50 HB ILE 50 -1.572 2.004 -4.119 443 1HG1 ILE 50 1HG1 ILE 50 -2.836 -0.024 -3.022 444 2HG1 ILE 50 2HG1 ILE 50 -1.647 0.109 -1.758 445 1HG2 ILE 50 1HG2 ILE 50 -1.648 -0.411 -4.868 446 2HG2 ILE 50 2HG2 ILE 50 -0.116 0.371 -5.236 447 3HG2 ILE 50 3HG2 ILE 50 -0.255 -0.737 -3.844 448 1HD1 ILE 50 1HD1 ILE 50 -3.527 2.342 -2.655 449 2HD1 ILE 50 2HD1 ILE 50 -3.738 1.293 -1.180 450 3HD1 ILE 50 3HD1 ILE 50 -2.391 2.377 -1.231 451 H ALA 51 H ALA 51 0.977 3.176 -4.614 452 HA ALA 51 HA ALA 51 2.916 1.171 -5.303 453 1HB ALA 51 1HB ALA 51 3.402 2.707 -7.128 454 2HB ALA 51 2HB ALA 51 1.644 2.713 -6.824 455 3HB ALA 51 3HB ALA 51 2.634 4.066 -6.243 456 H ARG 52 H ARG 52 3.008 3.437 -2.842 457 HA ARG 52 HA ARG 52 5.968 3.542 -2.660 458 1HB ARG 52 1HB ARG 52 4.403 5.496 -2.154 459 2HB ARG 52 2HB ARG 52 3.806 4.623 -0.773 460 1HG ARG 52 1HG ARG 52 6.717 5.425 -1.088 461 2HG ARG 52 2HG ARG 52 5.470 6.474 -0.418 462 1HD ARG 52 1HD ARG 52 4.955 4.605 1.266 463 2HD ARG 52 2HD ARG 52 6.478 3.869 0.752 464 HE ARG 52 HE ARG 52 7.694 5.620 1.653 465 1HH1 ARG 52 2HH2 ARG 52 4.218 6.468 2.161 466 2HH1 ARG 52 1HH2 ARG 52 4.617 7.572 3.427 467 1HH2 ARG 52 2HH1 ARG 52 8.075 6.919 3.497 468 2HH2 ARG 52 1HH1 ARG 52 6.758 7.383 4.500 469 H ILE 53 H ILE 53 3.234 2.451 -0.503 470 HA ILE 53 HA ILE 53 4.923 0.716 1.048 471 HB ILE 53 HB ILE 53 1.903 0.825 0.610 472 1HG1 ILE 53 1HG1 ILE 53 2.256 1.585 3.203 473 2HG1 ILE 53 2HG1 ILE 53 3.816 2.111 2.591 474 1HG2 ILE 53 1HG2 ILE 53 3.388 -0.530 2.861 475 2HG2 ILE 53 2HG2 ILE 53 1.658 -0.537 2.529 476 3HG2 ILE 53 3HG2 ILE 53 2.754 -1.416 1.455 477 1HD1 ILE 53 1HD1 ILE 53 2.775 3.699 1.138 478 2HD1 ILE 53 2HD1 ILE 53 1.174 2.928 1.348 479 3HD1 ILE 53 3HD1 ILE 53 1.946 3.813 2.697 480 H LYS 54 H LYS 54 2.805 -0.167 -1.734 481 HA LYS 54 HA LYS 54 3.513 -2.891 -1.377 482 1HB LYS 54 1HB LYS 54 2.306 -3.379 -3.358 483 2HB LYS 54 2HB LYS 54 1.488 -1.959 -2.836 484 1HG LYS 54 1HG LYS 54 1.835 -1.494 -5.086 485 2HG LYS 54 2HG LYS 54 3.333 -0.777 -4.465 486 1HD LYS 54 1HD LYS 54 4.689 -2.434 -5.328 487 2HD LYS 54 2HD LYS 54 3.406 -3.651 -5.285 488 1HE LYS 54 1HE LYS 54 3.448 -3.323 -7.528 489 2HE LYS 54 2HE LYS 54 2.267 -2.084 -7.107 490 1HZ LYS 54 1HZ LYS 54 4.260 -0.536 -7.066 491 2HZ LYS 54 2HZ LYS 54 5.135 -1.769 -7.721 492 3HZ LYS 54 3HZ LYS 54 3.840 -1.125 -8.538 493 H THR 55 H THR 55 5.239 -0.246 -2.937 494 HA THR 55 HA THR 55 7.083 -1.874 -4.413 495 HB THR 55 HB THR 55 6.958 0.936 -3.429 496 HG1 THR 55 HG1 THR 55 6.302 1.265 -5.261 497 1HG2 THR 55 1HG2 THR 55 9.414 -0.262 -4.769 498 2HG2 THR 55 2HG2 THR 55 9.090 1.485 -4.571 499 3HG2 THR 55 3HG2 THR 55 9.341 0.467 -3.154 500 H ILE 56 H ILE 56 6.950 -0.779 -0.963 501 HA ILE 56 HA ILE 56 9.613 -1.494 -0.275 502 HB ILE 56 HB ILE 56 7.074 -1.467 1.334 503 1HG1 ILE 56 1HG1 ILE 56 8.335 0.641 0.330 504 2HG1 ILE 56 2HG1 ILE 56 7.565 0.615 1.885 505 1HG2 ILE 56 1HG2 ILE 56 9.828 -2.062 2.436 506 2HG2 ILE 56 2HG2 ILE 56 8.406 -1.581 3.404 507 3HG2 ILE 56 3HG2 ILE 56 8.392 -3.094 2.506 508 1HD1 ILE 56 1HD1 ILE 56 10.536 0.169 1.509 509 2HD1 ILE 56 2HD1 ILE 56 9.758 1.718 1.897 510 3HD1 ILE 56 3HD1 ILE 56 9.669 0.375 3.059 511 H LEU 57 H LEU 57 6.627 -3.456 -0.507 512 HA LEU 57 HA LEU 57 7.750 -5.958 0.372 513 1HB LEU 57 1HB LEU 57 5.267 -5.256 -0.111 514 2HB LEU 57 2HB LEU 57 5.589 -5.793 -1.745 515 HG LEU 57 HG LEU 57 6.257 -7.582 0.642 516 1HD1 LEU 57 1HD1 LEU 57 4.006 -8.637 0.340 517 2HD1 LEU 57 2HD1 LEU 57 3.962 -7.052 1.047 518 3HD1 LEU 57 3HD1 LEU 57 3.541 -7.234 -0.666 519 1HD2 LEU 57 1HD2 LEU 57 7.163 -8.319 -1.436 520 2HD2 LEU 57 2HD2 LEU 57 5.837 -9.373 -1.015 521 3HD2 LEU 57 3HD2 LEU 57 5.593 -8.141 -2.272 522 H ARG 58 H ARG 58 7.726 -4.376 -2.835 523 HA ARG 58 HA ARG 58 8.831 -6.651 -4.259 524 1HB ARG 58 1HB ARG 58 7.645 -4.142 -4.884 525 2HB ARG 58 2HB ARG 58 9.305 -4.019 -5.454 526 1HG ARG 58 1HG ARG 58 7.389 -6.298 -6.069 527 2HG ARG 58 2HG ARG 58 7.685 -4.910 -7.132 528 1HD ARG 58 1HD ARG 58 10.038 -5.507 -7.293 529 2HD ARG 58 2HD ARG 58 9.801 -6.887 -6.229 530 HE ARG 58 HE ARG 58 8.384 -7.946 -7.887 531 1HH1 ARG 58 2HH2 ARG 58 10.760 -5.544 -9.135 532 2HH1 ARG 58 1HH2 ARG 58 11.133 -6.526 -10.492 533 1HH2 ARG 58 2HH1 ARG 58 8.844 -9.106 -9.743 534 2HH2 ARG 58 1HH1 ARG 58 10.252 -8.670 -10.650 535 H GLU 59 H GLU 59 10.083 -3.696 -2.858 536 HA GLU 59 HA GLU 59 12.825 -3.970 -3.422 537 1HB GLU 59 1HB GLU 59 11.496 -2.745 -0.938 538 2HB GLU 59 2HB GLU 59 13.208 -2.593 -1.321 539 1HG GLU 59 1HG GLU 59 12.621 -1.775 -3.500 540 2HG GLU 59 2HG GLU 59 10.954 -1.630 -3.077 541 H ARG 60 H ARG 60 10.929 -5.744 -1.100 542 HA ARG 60 HA ARG 60 13.374 -6.943 0.103 543 1HB ARG 60 1HB ARG 60 10.433 -7.193 0.823 544 2HB ARG 60 2HB ARG 60 11.768 -7.993 1.670 545 1HG ARG 60 1HG ARG 60 12.732 -5.859 2.327 546 2HG ARG 60 2HG ARG 60 11.609 -4.957 1.325 547 1HD ARG 60 1HD ARG 60 10.869 -4.751 3.579 548 2HD ARG 60 2HD ARG 60 9.730 -5.806 2.776 549 HE ARG 60 HE ARG 60 11.543 -6.397 4.993 550 1HH1 ARG 60 2HH2 ARG 60 9.130 -7.801 2.821 551 2HH1 ARG 60 1HH2 ARG 60 9.296 -9.410 3.391 552 1HH2 ARG 60 2HH1 ARG 60 11.574 -8.469 6.001 553 2HH2 ARG 60 1HH1 ARG 60 10.466 -9.668 5.527 554 H GLU 61 H GLU 61 11.109 -7.603 -2.381 555 HA GLU 61 HA GLU 61 11.576 -10.476 -2.463 556 1HB GLU 61 1HB GLU 61 10.588 -8.632 -4.684 557 2HB GLU 61 2HB GLU 61 10.673 -10.385 -4.746 558 1HG GLU 61 1HG GLU 61 9.118 -10.291 -2.648 559 2HG GLU 61 2HG GLU 61 8.836 -8.618 -3.128 560 H LEU 62 H LEU 62 12.818 -7.781 -4.757 561 HA LEU 62 HA LEU 62 14.749 -9.626 -5.626 562 1HB LEU 62 1HB LEU 62 15.287 -6.733 -6.057 563 2HB LEU 62 2HB LEU 62 15.458 -8.098 -7.120 564 HG LEU 62 HG LEU 62 13.808 -7.140 -8.182 565 1HD1 LEU 62 1HD1 LEU 62 11.870 -8.233 -8.136 566 2HD1 LEU 62 2HD1 LEU 62 12.720 -9.259 -7.000 567 3HD1 LEU 62 3HD1 LEU 62 11.635 -7.998 -6.396 568 1HD2 LEU 62 1HD2 LEU 62 13.820 -5.119 -7.037 569 2HD2 LEU 62 2HD2 LEU 62 12.133 -5.570 -7.209 570 3HD2 LEU 62 3HD2 LEU 62 12.967 -5.789 -5.645 571 H GLY 63 H GLY 63 14.793 -7.668 -2.871 572 1HA GLY 63 1HA GLY 63 16.479 -7.171 -1.360 573 2HA GLY 63 2HA GLY 63 17.643 -8.037 -2.370 574 H ILE 64 H ILE 64 15.605 -5.068 -2.545 575 HA ILE 64 HA ILE 64 17.812 -3.617 -3.838 576 HB ILE 64 HB ILE 64 14.867 -3.124 -3.213 577 1HG1 ILE 64 1HG1 ILE 64 15.340 -4.689 -5.074 578 2HG1 ILE 64 2HG1 ILE 64 14.454 -3.271 -5.570 579 1HG2 ILE 64 1HG2 ILE 64 15.823 -0.970 -3.055 580 2HG2 ILE 64 2HG2 ILE 64 16.730 -1.173 -4.580 581 3HG2 ILE 64 3HG2 ILE 64 14.947 -1.077 -4.590 582 1HD1 ILE 64 1HD1 ILE 64 17.475 -3.397 -5.916 583 2HD1 ILE 64 2HD1 ILE 64 16.362 -4.120 -7.062 584 3HD1 ILE 64 3HD1 ILE 64 16.294 -2.371 -6.761 585 H ARG 65 H ARG 65 16.455 -4.153 -0.735 586 HA ARG 65 HA ARG 65 18.313 -2.384 0.563 587 1HB ARG 65 1HB ARG 65 15.390 -2.073 1.342 588 2HB ARG 65 2HB ARG 65 16.793 -1.176 1.943 589 1HG ARG 65 1HG ARG 65 17.055 -0.216 -0.407 590 2HG ARG 65 2HG ARG 65 15.460 -0.949 -0.793 591 1HD ARG 65 1HD ARG 65 14.456 0.293 1.045 592 2HD ARG 65 2HD ARG 65 16.041 0.988 1.463 593 HE ARG 65 HE ARG 65 15.888 1.713 -1.101 594 1HH1 ARG 65 2HH2 ARG 65 13.557 2.060 1.549 595 2HH1 ARG 65 1HH2 ARG 65 12.388 2.914 0.538 596 1HH2 ARG 65 2HH1 ARG 65 14.654 3.416 -2.123 597 2HH2 ARG 65 1HH1 ARG 65 13.192 3.993 -1.397 598 H ARG 66 H ARG 66 17.769 -5.189 0.073 599 HA ARG 66 HA ARG 66 18.931 -5.967 2.247 600 1HB ARG 66 1HB ARG 66 17.462 -7.404 3.325 601 2HB ARG 66 2HB ARG 66 16.657 -5.846 3.160 602 1HG ARG 66 1HG ARG 66 14.873 -6.759 2.194 603 2HG ARG 66 2HG ARG 66 15.796 -7.607 0.972 604 1HD ARG 66 1HD ARG 66 15.536 -8.719 3.795 605 2HD ARG 66 2HD ARG 66 14.194 -8.861 2.652 606 HE ARG 66 HE ARG 66 15.350 -10.334 1.346 607 1HH1 ARG 66 2HH2 ARG 66 17.608 -9.200 3.866 608 2HH1 ARG 66 1HH2 ARG 66 18.934 -10.070 3.190 609 1HH2 ARG 66 2HH1 ARG 66 17.044 -11.899 0.843 610 2HH2 ARG 66 1HH1 ARG 66 18.579 -11.640 1.567 Start of MODEL 19 1 1H MET 1 1H MET 1 7.759 10.660 3.086 2 HA MET 1 HA MET 1 10.130 11.141 3.015 3 1HB MET 1 1HB MET 1 8.723 12.342 4.621 4 2HB MET 1 2HB MET 1 9.000 11.102 5.841 5 1HG MET 1 1HG MET 1 11.458 11.616 5.741 6 2HG MET 1 2HG MET 1 11.104 12.908 4.595 7 1HE MET 1 1HE MET 1 9.460 14.901 5.147 8 2HE MET 1 2HE MET 1 8.225 14.082 6.122 9 3HE MET 1 3HE MET 1 9.108 15.467 6.790 10 H LYS 2 H LYS 2 11.318 9.265 2.360 11 HA LYS 2 HA LYS 2 12.513 7.367 2.425 12 1HB LYS 2 1HB LYS 2 12.984 8.126 5.321 13 2HB LYS 2 2HB LYS 2 13.513 6.587 4.716 14 1HG LYS 2 1HG LYS 2 14.881 7.514 3.027 15 2HG LYS 2 2HG LYS 2 14.307 9.148 3.316 16 1HD LYS 2 1HD LYS 2 15.704 7.561 5.509 17 2HD LYS 2 2HD LYS 2 16.584 8.403 4.240 18 1HE LYS 2 1HE LYS 2 16.523 9.855 6.140 19 2HE LYS 2 2HE LYS 2 15.515 10.553 4.868 20 1HZ LYS 2 1HZ LYS 2 14.587 9.083 7.252 21 2HZ LYS 2 2HZ LYS 2 14.411 10.692 7.016 22 3HZ LYS 2 3HZ LYS 2 13.575 9.652 6.074 23 H ALA 3 H ALA 3 12.532 5.083 3.515 24 HA ALA 3 HA ALA 3 9.728 4.262 3.848 25 1HB ALA 3 1HB ALA 3 10.434 2.062 3.566 26 2HB ALA 3 2HB ALA 3 11.179 3.017 2.242 27 3HB ALA 3 3HB ALA 3 12.168 2.482 3.629 28 H SER 4 H SER 4 12.092 5.418 5.941 29 HA SER 4 HA SER 4 12.415 3.738 8.026 30 1HB SER 4 1HB SER 4 11.495 6.645 8.095 31 2HB SER 4 2HB SER 4 12.387 5.818 9.374 32 HG SER 4 HG SER 4 14.160 5.878 8.218 33 H GLU 5 H GLU 5 9.327 5.175 7.062 34 HA GLU 5 HA GLU 5 7.999 4.304 9.501 35 1HB GLU 5 1HB GLU 5 5.918 5.076 8.341 36 2HB GLU 5 2HB GLU 5 7.187 6.301 8.443 37 1HG GLU 5 1HG GLU 5 7.837 5.933 6.139 38 2HG GLU 5 2HG GLU 5 6.769 4.575 5.943 39 H LEU 6 H LEU 6 8.558 2.826 6.413 40 HA LEU 6 HA LEU 6 6.379 0.814 6.815 41 1HB LEU 6 1HB LEU 6 7.819 2.162 4.488 42 2HB LEU 6 2HB LEU 6 7.651 0.456 4.323 43 HG LEU 6 HG LEU 6 5.870 1.159 3.212 44 1HD1 LEU 6 1HD1 LEU 6 4.428 0.986 5.877 45 2HD1 LEU 6 2HD1 LEU 6 3.890 0.385 4.325 46 3HD1 LEU 6 3HD1 LEU 6 5.222 -0.414 5.162 47 1HD2 LEU 6 1HD2 LEU 6 4.958 3.247 5.197 48 2HD2 LEU 6 2HD2 LEU 6 6.140 3.580 3.933 49 3HD2 LEU 6 3HD2 LEU 6 4.522 3.082 3.484 50 H ARG 7 H ARG 7 9.909 1.123 6.401 51 HA ARG 7 HA ARG 7 10.256 -1.746 6.213 52 1HB ARG 7 1HB ARG 7 11.804 0.059 5.299 53 2HB ARG 7 2HB ARG 7 12.267 0.456 6.970 54 1HG ARG 7 1HG ARG 7 12.330 -2.422 6.168 55 2HG ARG 7 2HG ARG 7 13.507 -1.383 5.355 56 1HD ARG 7 1HD ARG 7 14.784 -1.105 7.198 57 2HD ARG 7 2HD ARG 7 13.413 -1.046 8.309 58 HE ARG 7 HE ARG 7 13.239 -3.563 7.895 59 1HH1 ARG 7 2HH2 ARG 7 16.198 -1.675 8.483 60 2HH1 ARG 7 1HH2 ARG 7 17.086 -3.003 9.114 61 1HH2 ARG 7 2HH1 ARG 7 14.562 -5.420 8.529 62 2HH2 ARG 7 1HH1 ARG 7 16.049 -5.122 9.324 63 H ASN 8 H ASN 8 9.338 0.344 8.617 64 HA ASN 8 HA ASN 8 10.781 -0.800 10.839 65 1HB ASN 8 1HB ASN 8 9.110 1.534 10.370 66 2HB ASN 8 2HB ASN 8 8.332 0.621 11.605 67 1HD2 ASN 8 1HD2 ASN 8 9.091 0.798 13.673 68 2HD2 ASN 8 2HD2 ASN 8 10.597 1.546 14.138 69 H TYR 9 H TYR 9 8.109 -2.302 8.998 70 HA TYR 9 HA TYR 9 7.055 -3.423 11.413 71 1HB TYR 9 1HB TYR 9 6.195 -3.174 8.545 72 2HB TYR 9 2HB TYR 9 5.505 -4.379 9.585 73 HD1 TYR 9 HD1 TYR 9 4.000 -3.610 11.484 74 HD2 TYR 9 HD2 TYR 9 5.895 -0.793 8.848 75 HE1 TYR 9 HE1 TYR 9 2.404 -1.894 12.215 76 HE2 TYR 9 HE2 TYR 9 4.367 0.933 9.626 77 HH TYR 9 HH TYR 9 2.767 1.513 11.420 78 H THR 10 H THR 10 6.986 -5.975 11.108 79 HA THR 10 HA THR 10 9.764 -6.813 10.506 80 HB THR 10 HB THR 10 9.207 -8.738 11.827 81 HG1 THR 10 HG1 THR 10 6.772 -7.969 12.773 82 1HG2 THR 10 1HG2 THR 10 8.812 -7.732 13.959 83 2HG2 THR 10 2HG2 THR 10 9.769 -6.575 13.001 84 3HG2 THR 10 3HG2 THR 10 8.011 -6.316 13.255 85 H ASP 11 H ASP 11 10.011 -8.655 8.855 86 HA ASP 11 HA ASP 11 8.961 -8.901 6.598 87 1HB ASP 11 1HB ASP 11 9.519 -11.312 8.393 88 2HB ASP 11 2HB ASP 11 9.311 -11.370 6.654 89 H GLU 12 H GLU 12 7.385 -10.397 9.382 90 HA GLU 12 HA GLU 12 5.230 -11.385 7.835 91 1HB GLU 12 1HB GLU 12 5.948 -11.223 10.794 92 2HB GLU 12 2HB GLU 12 4.351 -11.812 10.269 93 1HG GLU 12 1HG GLU 12 5.590 -13.394 8.623 94 2HG GLU 12 2HG GLU 12 7.058 -12.986 9.523 95 H GLU 13 H GLU 13 5.559 -8.630 10.106 96 HA GLU 13 HA GLU 13 2.811 -7.719 9.849 97 1HB GLU 13 1HB GLU 13 5.406 -6.517 10.848 98 2HB GLU 13 2HB GLU 13 4.005 -5.531 10.569 99 1HG GLU 13 1HG GLU 13 2.778 -7.359 12.064 100 2HG GLU 13 2HG GLU 13 4.432 -7.736 12.600 101 H LEU 14 H LEU 14 5.783 -7.279 8.036 102 HA LEU 14 HA LEU 14 5.166 -4.971 6.524 103 1HB LEU 14 1HB LEU 14 7.029 -7.357 6.135 104 2HB LEU 14 2HB LEU 14 6.683 -6.385 4.767 105 HG LEU 14 HG LEU 14 8.479 -5.317 5.100 106 1HD1 LEU 14 1HD1 LEU 14 6.724 -3.574 6.168 107 2HD1 LEU 14 2HD1 LEU 14 8.500 -3.327 6.124 108 3HD1 LEU 14 3HD1 LEU 14 7.762 -3.970 7.563 109 1HD2 LEU 14 1HD2 LEU 14 9.985 -5.180 6.891 110 2HD2 LEU 14 2HD2 LEU 14 8.789 -5.999 7.883 111 3HD2 LEU 14 3HD2 LEU 14 9.470 -6.860 6.555 112 H LYS 15 H LYS 15 4.827 -8.533 5.650 113 HA LYS 15 HA LYS 15 3.285 -7.822 3.345 114 1HB LYS 15 1HB LYS 15 2.468 -10.149 3.400 115 2HB LYS 15 2HB LYS 15 4.209 -9.922 3.241 116 1HG LYS 15 1HG LYS 15 4.498 -11.458 4.764 117 2HG LYS 15 2HG LYS 15 3.949 -10.280 5.931 118 1HD LYS 15 1HD LYS 15 2.280 -12.382 4.412 119 2HD LYS 15 2HD LYS 15 2.813 -12.539 6.095 120 1HE LYS 15 1HE LYS 15 1.348 -10.806 6.833 121 2HE LYS 15 2HE LYS 15 0.937 -10.344 5.166 122 1HZ LYS 15 1HZ LYS 15 -0.235 -12.353 4.871 123 2HZ LYS 15 2HZ LYS 15 0.248 -12.962 6.293 124 3HZ LYS 15 3HZ LYS 15 -0.791 -11.689 6.268 125 H ASN 16 H ASN 16 2.361 -8.537 6.735 126 HA ASN 16 HA ASN 16 -0.411 -8.581 6.047 127 1HB ASN 16 1HB ASN 16 0.957 -9.357 8.252 128 2HB ASN 16 2HB ASN 16 0.456 -7.769 8.825 129 1HD2 ASN 16 1HD2 ASN 16 -1.298 -8.328 10.261 130 2HD2 ASN 16 2HD2 ASN 16 -2.636 -9.315 9.737 131 H LEU 17 H LEU 17 1.569 -5.991 6.043 132 HA LEU 17 HA LEU 17 -0.543 -3.904 6.540 133 1HB LEU 17 1HB LEU 17 2.484 -3.979 6.609 134 2HB LEU 17 2HB LEU 17 1.730 -2.512 6.100 135 HG LEU 17 HG LEU 17 2.481 -2.975 8.600 136 1HD1 LEU 17 1HD1 LEU 17 0.837 -1.215 9.285 137 2HD1 LEU 17 2HD1 LEU 17 1.747 -0.864 7.814 138 3HD1 LEU 17 3HD1 LEU 17 0.043 -1.422 7.705 139 1HD2 LEU 17 1HD2 LEU 17 0.976 -4.869 9.073 140 2HD2 LEU 17 2HD2 LEU 17 0.641 -3.485 10.110 141 3HD2 LEU 17 3HD2 LEU 17 -0.438 -3.847 8.744 142 H LEU 18 H LEU 18 1.954 -5.113 4.317 143 HA LEU 18 HA LEU 18 1.255 -3.088 2.370 144 1HB LEU 18 1HB LEU 18 3.006 -5.452 1.724 145 2HB LEU 18 2HB LEU 18 3.013 -3.872 1.011 146 HG LEU 18 HG LEU 18 4.408 -4.965 3.332 147 1HD1 LEU 18 1HD1 LEU 18 6.103 -4.510 2.190 148 2HD1 LEU 18 2HD1 LEU 18 5.153 -3.562 1.047 149 3HD1 LEU 18 3HD1 LEU 18 5.828 -2.789 2.471 150 1HD2 LEU 18 1HD2 LEU 18 4.007 -3.520 4.971 151 2HD2 LEU 18 2HD2 LEU 18 4.524 -2.172 3.974 152 3HD2 LEU 18 3HD2 LEU 18 2.841 -2.653 4.011 153 H GLU 19 H GLU 19 0.450 -6.416 2.894 154 HA GLU 19 HA GLU 19 -1.051 -6.829 0.466 155 1HB GLU 19 1HB GLU 19 -1.763 -8.733 1.434 156 2HB GLU 19 2HB GLU 19 -0.274 -8.497 2.303 157 1HG GLU 19 1HG GLU 19 -1.461 -8.970 4.093 158 2HG GLU 19 2HG GLU 19 -1.899 -7.285 4.079 159 H GLU 20 H GLU 20 -1.770 -5.223 3.622 160 HA GLU 20 HA GLU 20 -4.508 -4.942 3.110 161 1HB GLU 20 1HB GLU 20 -3.472 -4.859 5.389 162 2HB GLU 20 2HB GLU 20 -2.747 -3.313 4.960 163 1HG GLU 20 1HG GLU 20 -5.296 -2.598 4.484 164 2HG GLU 20 2HG GLU 20 -5.609 -3.928 5.606 165 H LYS 21 H LYS 21 -1.826 -2.568 2.733 166 HA LYS 21 HA LYS 21 -3.486 -0.572 1.647 167 1HB LYS 21 1HB LYS 21 -0.538 -1.184 1.355 168 2HB LYS 21 2HB LYS 21 -1.247 0.333 0.817 169 1HG LYS 21 1HG LYS 21 -1.316 -0.742 3.684 170 2HG LYS 21 2HG LYS 21 -0.111 0.363 3.076 171 1HD LYS 21 1HD LYS 21 -3.048 1.150 3.019 172 2HD LYS 21 2HD LYS 21 -2.061 1.262 4.477 173 1HE LYS 21 1HE LYS 21 -0.313 2.481 3.006 174 2HE LYS 21 2HE LYS 21 -1.633 2.714 1.842 175 1HZ LYS 21 1HZ LYS 21 -1.325 4.551 3.359 176 2HZ LYS 21 2HZ LYS 21 -2.831 3.865 3.683 177 3HZ LYS 21 3HZ LYS 21 -1.529 3.634 4.659 178 H LYS 22 H LYS 22 -1.393 -2.976 -0.255 179 HA LYS 22 HA LYS 22 -2.365 -2.353 -2.698 180 1HB LYS 22 1HB LYS 22 -0.577 -3.992 -2.214 181 2HB LYS 22 2HB LYS 22 -1.777 -5.198 -1.766 182 1HG LYS 22 1HG LYS 22 -2.063 -3.863 -4.462 183 2HG LYS 22 2HG LYS 22 -0.691 -4.940 -4.264 184 1HD LYS 22 1HD LYS 22 -3.486 -5.869 -3.513 185 2HD LYS 22 2HD LYS 22 -2.915 -5.925 -5.187 186 1HE LYS 22 1HE LYS 22 -1.238 -7.483 -4.747 187 2HE LYS 22 2HE LYS 22 -1.154 -7.073 -3.030 188 1HZ LYS 22 1HZ LYS 22 -3.140 -8.194 -2.612 189 2HZ LYS 22 2HZ LYS 22 -3.479 -8.442 -4.214 190 3HZ LYS 22 3HZ LYS 22 -2.186 -9.201 -3.473 191 H ARG 23 H ARG 23 -4.137 -4.587 -0.443 192 HA ARG 23 HA ARG 23 -6.255 -5.021 -2.372 193 1HB ARG 23 1HB ARG 23 -7.588 -5.870 -0.576 194 2HB ARG 23 2HB ARG 23 -5.962 -6.572 -0.508 195 1HG ARG 23 1HG ARG 23 -5.411 -4.883 1.198 196 2HG ARG 23 2HG ARG 23 -7.112 -4.405 1.330 197 1HD ARG 23 1HD ARG 23 -5.840 -7.127 1.801 198 2HD ARG 23 2HD ARG 23 -6.398 -5.998 3.060 199 HE ARG 23 HE ARG 23 -8.593 -6.519 1.359 200 1HH1 ARG 23 2HH2 ARG 23 -6.468 -8.289 3.604 201 2HH1 ARG 23 1HH2 ARG 23 -7.767 -9.220 4.291 202 1HH2 ARG 23 2HH1 ARG 23 -10.139 -7.758 1.974 203 2HH2 ARG 23 1HH1 ARG 23 -10.045 -9.015 3.174 204 H GLN 24 H GLN 24 -5.929 -2.703 0.416 205 HA GLN 24 HA GLN 24 -8.427 -1.652 0.449 206 1HB GLN 24 1HB GLN 24 -5.693 -0.469 0.931 207 2HB GLN 24 2HB GLN 24 -6.990 0.608 0.630 208 1HG GLN 24 1HG GLN 24 -8.114 -1.021 2.569 209 2HG GLN 24 2HG GLN 24 -6.416 -0.923 3.018 210 1HE2 GLN 24 1HE2 GLN 24 -8.190 0.112 4.854 211 2HE2 GLN 24 2HE2 GLN 24 -8.333 1.841 4.693 212 H LEU 25 H LEU 25 -5.791 -0.620 -1.744 213 HA LEU 25 HA LEU 25 -7.253 1.313 -3.207 214 1HB LEU 25 1HB LEU 25 -4.894 0.961 -3.447 215 2HB LEU 25 2HB LEU 25 -5.142 -0.707 -3.983 216 HG LEU 25 HG LEU 25 -4.342 0.892 -5.706 217 1HD1 LEU 25 1HD1 LEU 25 -5.785 -1.114 -6.396 218 2HD1 LEU 25 2HD1 LEU 25 -7.098 0.055 -6.636 219 3HD1 LEU 25 3HD1 LEU 25 -5.609 0.214 -7.557 220 1HD2 LEU 25 1HD2 LEU 25 -5.541 2.901 -4.853 221 2HD2 LEU 25 2HD2 LEU 25 -5.853 2.640 -6.598 222 3HD2 LEU 25 3HD2 LEU 25 -7.046 2.158 -5.420 223 H MET 26 H MET 26 -7.006 -2.192 -3.838 224 HA MET 26 HA MET 26 -8.792 -2.318 -6.048 225 1HB MET 26 1HB MET 26 -7.527 -4.118 -6.043 226 2HB MET 26 2HB MET 26 -7.246 -4.108 -4.323 227 1HG MET 26 1HG MET 26 -9.332 -5.234 -3.905 228 2HG MET 26 2HG MET 26 -9.760 -5.206 -5.621 229 1HE MET 26 1HE MET 26 -8.655 -7.287 -2.901 230 2HE MET 26 2HE MET 26 -9.912 -7.835 -4.025 231 3HE MET 26 3HE MET 26 -8.412 -8.775 -3.846 232 H GLU 27 H GLU 27 -9.420 -2.328 -2.590 233 HA GLU 27 HA GLU 27 -12.243 -3.262 -2.974 234 1HB GLU 27 1HB GLU 27 -10.578 -2.546 -0.493 235 2HB GLU 27 2HB GLU 27 -12.255 -3.163 -0.456 236 1HG GLU 27 1HG GLU 27 -11.489 -5.087 -1.781 237 2HG GLU 27 2HG GLU 27 -9.830 -4.637 -1.601 238 H LEU 28 H LEU 28 -10.576 -0.409 -1.894 239 HA LEU 28 HA LEU 28 -12.862 1.239 -1.549 240 1HB LEU 28 1HB LEU 28 -10.001 1.839 -2.331 241 2HB LEU 28 2HB LEU 28 -11.197 3.048 -1.962 242 HG LEU 28 HG LEU 28 -10.202 0.947 0.001 243 1HD1 LEU 28 1HD1 LEU 28 -9.161 3.116 1.009 244 2HD1 LEU 28 2HD1 LEU 28 -8.429 2.315 -0.368 245 3HD1 LEU 28 3HD1 LEU 28 -9.389 3.795 -0.631 246 1HD2 LEU 28 1HD2 LEU 28 -12.434 1.590 0.638 247 2HD2 LEU 28 2HD2 LEU 28 -11.214 2.197 1.751 248 3HD2 LEU 28 3HD2 LEU 28 -11.979 3.314 0.584 249 H ARG 29 H ARG 29 -10.852 0.594 -4.423 250 HA ARG 29 HA ARG 29 -12.399 2.308 -6.131 251 1HB ARG 29 1HB ARG 29 -11.461 1.298 -8.061 252 2HB ARG 29 2HB ARG 29 -10.192 1.485 -6.849 253 1HG ARG 29 1HG ARG 29 -10.247 -0.813 -6.327 254 2HG ARG 29 2HG ARG 29 -11.686 -1.134 -7.242 255 1HD ARG 29 1HD ARG 29 -9.007 -0.304 -8.426 256 2HD ARG 29 2HD ARG 29 -9.623 -1.956 -8.358 257 HE ARG 29 HE ARG 29 -10.214 0.005 -10.313 258 1HH1 ARG 29 2HH2 ARG 29 -11.809 -2.783 -8.663 259 2HH1 ARG 29 1HH2 ARG 29 -13.274 -2.542 -9.596 260 1HH2 ARG 29 2HH1 ARG 29 -12.119 -0.007 -11.669 261 2HH2 ARG 29 1HH1 ARG 29 -13.383 -1.150 -11.301 262 H PHE 30 H PHE 30 -13.147 -0.795 -4.853 263 HA PHE 30 HA PHE 30 -15.319 -1.384 -6.712 264 1HB PHE 30 1HB PHE 30 -13.988 -3.157 -5.766 265 2HB PHE 30 2HB PHE 30 -14.273 -2.652 -4.150 266 HD1 PHE 30 HD1 PHE 30 -15.039 -5.128 -6.314 267 HD2 PHE 30 HD2 PHE 30 -16.951 -2.496 -3.463 268 HE1 PHE 30 HE1 PHE 30 -16.793 -6.797 -5.919 269 HE2 PHE 30 HE2 PHE 30 -18.726 -4.147 -3.131 270 HZ PHE 30 HZ PHE 30 -18.629 -6.349 -4.294 271 H GLN 31 H GLN 31 -14.952 0.632 -3.622 272 HA GLN 31 HA GLN 31 -17.780 0.431 -3.087 273 1HB GLN 31 1HB GLN 31 -15.562 2.179 -1.915 274 2HB GLN 31 2HB GLN 31 -17.232 2.034 -1.361 275 1HG GLN 31 1HG GLN 31 -16.642 -0.533 -1.081 276 2HG GLN 31 2HG GLN 31 -14.968 0.030 -1.157 277 1HE2 GLN 31 1HE2 GLN 31 -14.650 -0.755 1.090 278 2HE2 GLN 31 2HE2 GLN 31 -15.456 0.035 2.411 279 H LEU 32 H LEU 32 -15.294 2.418 -4.675 280 HA LEU 32 HA LEU 32 -16.874 4.673 -5.384 281 1HB LEU 32 1HB LEU 32 -14.382 4.380 -5.700 282 2HB LEU 32 2HB LEU 32 -14.694 3.273 -7.007 283 HG LEU 32 HG LEU 32 -14.075 5.376 -7.766 284 1HD1 LEU 32 1HD1 LEU 32 -16.922 5.305 -8.691 285 2HD1 LEU 32 2HD1 LEU 32 -15.468 5.832 -9.522 286 3HD1 LEU 32 3HD1 LEU 32 -15.707 4.107 -9.170 287 1HD2 LEU 32 1HD2 LEU 32 -14.964 6.792 -5.907 288 2HD2 LEU 32 2HD2 LEU 32 -15.463 7.450 -7.487 289 3HD2 LEU 32 3HD2 LEU 32 -16.617 6.530 -6.519 290 H ALA 33 H ALA 33 -16.225 1.744 -7.261 291 HA ALA 33 HA ALA 33 -17.963 2.231 -9.399 292 1HB ALA 33 1HB ALA 33 -17.246 -0.461 -8.151 293 2HB ALA 33 2HB ALA 33 -17.831 -0.191 -9.808 294 3HB ALA 33 3HB ALA 33 -16.249 0.456 -9.324 295 H MET 34 H MET 34 -18.689 0.853 -6.157 296 HA MET 34 HA MET 34 -21.411 0.285 -6.777 297 1HB MET 34 1HB MET 34 -19.669 0.342 -4.302 298 2HB MET 34 2HB MET 34 -21.393 0.106 -4.169 299 1HG MET 34 1HG MET 34 -19.990 -1.634 -6.151 300 2HG MET 34 2HG MET 34 -19.643 -1.923 -4.454 301 1HE MET 34 1HE MET 34 -21.097 -4.018 -6.599 302 2HE MET 34 2HE MET 34 -20.541 -4.420 -4.952 303 3HE MET 34 3HE MET 34 -22.208 -4.788 -5.444 304 H GLY 35 H GLY 35 -19.709 3.182 -6.068 305 1HA GLY 35 1HA GLY 35 -20.457 5.235 -6.434 306 2HA GLY 35 2HA GLY 35 -22.154 4.752 -6.159 307 H GLN 36 H GLN 36 -19.446 3.956 -3.902 308 HA GLN 36 HA GLN 36 -20.983 5.512 -1.901 309 1HB GLN 36 1HB GLN 36 -19.322 3.050 -1.332 310 2HB GLN 36 2HB GLN 36 -20.622 3.769 -0.378 311 1HG GLN 36 1HG GLN 36 -22.158 3.227 -2.397 312 2HG GLN 36 2HG GLN 36 -20.791 2.277 -3.005 313 1HE2 GLN 36 1HE2 GLN 36 -23.066 0.847 -2.712 314 2HE2 GLN 36 2HE2 GLN 36 -22.976 -0.169 -1.277 315 H LEU 37 H LEU 37 -17.892 4.930 -3.212 316 HA LEU 37 HA LEU 37 -16.351 6.451 -1.220 317 1HB LEU 37 1HB LEU 37 -15.591 4.534 -2.713 318 2HB LEU 37 2HB LEU 37 -15.569 5.678 -4.051 319 HG LEU 37 HG LEU 37 -13.955 5.714 -1.537 320 1HD1 LEU 37 1HD1 LEU 37 -12.920 5.500 -4.355 321 2HD1 LEU 37 2HD1 LEU 37 -12.156 5.092 -2.784 322 3HD1 LEU 37 3HD1 LEU 37 -13.471 4.113 -3.401 323 1HD2 LEU 37 1HD2 LEU 37 -12.564 7.555 -2.740 324 2HD2 LEU 37 2HD2 LEU 37 -13.972 7.778 -3.797 325 3HD2 LEU 37 3HD2 LEU 37 -14.089 8.082 -2.045 326 H LYS 38 H LYS 38 -16.659 8.680 -1.113 327 HA LYS 38 HA LYS 38 -17.968 10.438 -2.356 328 1HB LYS 38 1HB LYS 38 -15.097 10.881 -1.494 329 2HB LYS 38 2HB LYS 38 -16.051 12.193 -2.151 330 1HG LYS 38 1HG LYS 38 -17.757 11.053 -0.202 331 2HG LYS 38 2HG LYS 38 -16.146 10.984 0.508 332 1HD LYS 38 1HD LYS 38 -17.130 13.070 1.145 333 2HD LYS 38 2HD LYS 38 -15.864 13.443 -0.035 334 1HE LYS 38 1HE LYS 38 -17.562 13.669 -1.825 335 2HE LYS 38 2HE LYS 38 -18.835 13.165 -0.699 336 1HZ LYS 38 1HZ LYS 38 -17.244 15.647 -0.392 337 2HZ LYS 38 2HZ LYS 38 -18.784 15.560 -0.965 338 3HZ LYS 38 3HZ LYS 38 -18.474 15.117 0.573 339 H ASN 39 H ASN 39 -14.674 10.555 -3.775 340 HA ASN 39 HA ASN 39 -15.746 10.892 -6.480 341 1HB ASN 39 1HB ASN 39 -15.204 13.236 -4.704 342 2HB ASN 39 2HB ASN 39 -14.523 13.384 -6.307 343 1HD2 ASN 39 1HD2 ASN 39 -17.044 14.520 -4.814 344 2HD2 ASN 39 2HD2 ASN 39 -18.232 14.427 -6.139 345 H THR 40 H THR 40 -14.025 9.057 -5.657 346 HA THR 40 HA THR 40 -12.012 8.078 -5.683 347 HB THR 40 HB THR 40 -10.637 8.361 -7.605 348 HG1 THR 40 HG1 THR 40 -10.912 9.869 -9.084 349 1HG2 THR 40 1HG2 THR 40 -12.656 6.980 -7.765 350 2HG2 THR 40 2HG2 THR 40 -13.581 8.383 -8.382 351 3HG2 THR 40 3HG2 THR 40 -12.247 7.700 -9.329 352 H SER 41 H SER 41 -11.742 11.443 -4.998 353 HA SER 41 HA SER 41 -9.060 11.870 -5.078 354 1HB SER 41 1HB SER 41 -10.701 12.769 -2.693 355 2HB SER 41 2HB SER 41 -9.396 13.628 -3.514 356 HG SER 41 HG SER 41 -10.878 13.570 -5.421 357 H LEU 42 H LEU 42 -10.798 10.080 -2.527 358 HA LEU 42 HA LEU 42 -8.524 9.736 -0.794 359 1HB LEU 42 1HB LEU 42 -10.560 9.611 0.256 360 2HB LEU 42 2HB LEU 42 -11.374 8.785 -1.039 361 HG LEU 42 HG LEU 42 -11.134 7.672 1.166 362 1HD1 LEU 42 1HD1 LEU 42 -11.004 5.422 0.239 363 2HD1 LEU 42 2HD1 LEU 42 -11.996 6.503 -0.719 364 3HD1 LEU 42 3HD1 LEU 42 -10.359 6.061 -1.283 365 1HD2 LEU 42 1HD2 LEU 42 -8.534 6.504 0.268 366 2HD2 LEU 42 2HD2 LEU 42 -8.532 7.964 1.303 367 3HD2 LEU 42 3HD2 LEU 42 -9.277 6.445 1.842 368 H ILE 43 H ILE 43 -9.944 7.857 -3.518 369 HA ILE 43 HA ILE 43 -8.198 5.615 -3.276 370 HB ILE 43 HB ILE 43 -10.126 6.642 -5.219 371 1HG1 ILE 43 1HG1 ILE 43 -10.315 4.737 -3.626 372 2HG1 ILE 43 2HG1 ILE 43 -10.902 4.478 -5.281 373 1HG2 ILE 43 1HG2 ILE 43 -7.712 5.138 -6.367 374 2HG2 ILE 43 2HG2 ILE 43 -9.292 5.299 -7.176 375 3HG2 ILE 43 3HG2 ILE 43 -8.323 6.736 -6.855 376 1HD1 ILE 43 1HD1 ILE 43 -9.691 2.558 -4.349 377 2HD1 ILE 43 2HD1 ILE 43 -8.915 3.184 -5.792 378 3HD1 ILE 43 3HD1 ILE 43 -8.239 3.539 -4.165 379 H LYS 44 H LYS 44 -7.764 8.818 -4.998 380 HA LYS 44 HA LYS 44 -5.329 8.016 -6.229 381 1HB LYS 44 1HB LYS 44 -6.860 9.821 -6.881 382 2HB LYS 44 2HB LYS 44 -6.504 10.726 -5.427 383 1HG LYS 44 1HG LYS 44 -4.263 9.982 -7.348 384 2HG LYS 44 2HG LYS 44 -5.432 11.246 -7.725 385 1HD LYS 44 1HD LYS 44 -3.907 12.562 -6.815 386 2HD LYS 44 2HD LYS 44 -4.866 12.200 -5.372 387 1HE LYS 44 1HE LYS 44 -3.157 10.955 -4.392 388 2HE LYS 44 2HE LYS 44 -2.568 10.337 -5.957 389 1HZ LYS 44 1HZ LYS 44 -2.121 13.111 -4.922 390 2HZ LYS 44 2HZ LYS 44 -0.979 11.924 -5.057 391 3HZ LYS 44 3HZ LYS 44 -1.624 12.533 -6.388 392 H LEU 45 H LEU 45 -6.108 9.597 -3.126 393 HA LEU 45 HA LEU 45 -3.406 9.975 -2.262 394 1HB LEU 45 1HB LEU 45 -6.234 10.217 -1.165 395 2HB LEU 45 2HB LEU 45 -4.950 10.056 -0.042 396 HG LEU 45 HG LEU 45 -5.365 12.308 -0.188 397 1HD1 LEU 45 1HD1 LEU 45 -2.931 12.013 -2.010 398 2HD1 LEU 45 2HD1 LEU 45 -3.239 13.289 -0.842 399 3HD1 LEU 45 3HD1 LEU 45 -2.914 11.668 -0.249 400 1HD2 LEU 45 1HD2 LEU 45 -6.650 12.489 -2.152 401 2HD2 LEU 45 2HD2 LEU 45 -5.351 13.666 -2.258 402 3HD2 LEU 45 3HD2 LEU 45 -5.260 12.146 -3.199 403 H THR 46 H THR 46 -5.568 7.264 -2.220 404 HA THR 46 HA THR 46 -4.005 5.763 -0.247 405 HB THR 46 HB THR 46 -6.381 5.357 -2.085 406 HG1 THR 46 HG1 THR 46 -6.711 6.373 -0.159 407 1HG2 THR 46 1HG2 THR 46 -5.433 3.106 -0.316 408 2HG2 THR 46 2HG2 THR 46 -6.868 3.253 -1.339 409 3HG2 THR 46 3HG2 THR 46 -5.318 3.168 -2.130 410 H LYS 47 H LYS 47 -4.585 5.695 -3.795 411 HA LYS 47 HA LYS 47 -2.848 3.695 -4.530 412 1HB LYS 47 1HB LYS 47 -4.546 4.927 -5.994 413 2HB LYS 47 2HB LYS 47 -3.453 6.307 -6.020 414 1HG LYS 47 1HG LYS 47 -3.064 5.242 -8.046 415 2HG LYS 47 2HG LYS 47 -1.707 4.748 -7.058 416 1HD LYS 47 1HD LYS 47 -3.208 2.671 -6.431 417 2HD LYS 47 2HD LYS 47 -4.149 3.152 -7.862 418 1HE LYS 47 1HE LYS 47 -1.972 3.058 -9.175 419 2HE LYS 47 2HE LYS 47 -1.157 2.485 -7.720 420 1HZ LYS 47 1HZ LYS 47 -3.328 1.060 -9.143 421 2HZ LYS 47 2HZ LYS 47 -1.718 0.684 -9.150 422 3HZ LYS 47 3HZ LYS 47 -2.582 0.509 -7.780 423 H ARG 48 H ARG 48 -1.924 7.143 -4.159 424 HA ARG 48 HA ARG 48 0.732 6.891 -4.999 425 1HB ARG 48 1HB ARG 48 1.182 8.844 -3.721 426 2HB ARG 48 2HB ARG 48 -0.514 8.893 -4.294 427 1HG ARG 48 1HG ARG 48 -1.322 8.302 -2.106 428 2HG ARG 48 2HG ARG 48 0.315 8.276 -1.448 429 1HD ARG 48 1HD ARG 48 -0.309 10.825 -2.800 430 2HD ARG 48 2HD ARG 48 -1.414 10.425 -1.478 431 HE ARG 48 HE ARG 48 0.192 10.695 0.082 432 1HH1 ARG 48 2HH2 ARG 48 1.805 10.867 -3.104 433 2HH1 ARG 48 1HH2 ARG 48 3.369 11.082 -2.456 434 1HH2 ARG 48 2HH1 ARG 48 2.239 10.796 0.954 435 2HH2 ARG 48 1HH1 ARG 48 3.619 11.207 -0.001 436 H ASP 49 H ASP 49 -0.660 6.118 -1.842 437 HA ASP 49 HA ASP 49 1.888 5.301 -0.674 438 1HB ASP 49 1HB ASP 49 -0.589 6.161 0.267 439 2HB ASP 49 2HB ASP 49 -0.680 4.438 0.579 440 H ILE 50 H ILE 50 -0.957 3.797 -2.224 441 HA ILE 50 HA ILE 50 -0.113 1.112 -1.444 442 HB ILE 50 HB ILE 50 -2.051 2.107 -3.521 443 1HG1 ILE 50 1HG1 ILE 50 -3.269 0.141 -2.440 444 2HG1 ILE 50 2HG1 ILE 50 -1.855 -0.061 -1.417 445 1HG2 ILE 50 1HG2 ILE 50 -0.880 -0.710 -3.781 446 2HG2 ILE 50 2HG2 ILE 50 -2.383 -0.148 -4.522 447 3HG2 ILE 50 3HG2 ILE 50 -0.846 0.550 -5.024 448 1HD1 ILE 50 1HD1 ILE 50 -2.204 2.069 -0.358 449 2HD1 ILE 50 2HD1 ILE 50 -3.337 2.545 -1.650 450 3HD1 ILE 50 3HD1 ILE 50 -3.790 1.293 -0.430 451 H ALA 51 H ALA 51 0.685 3.199 -4.193 452 HA ALA 51 HA ALA 51 2.179 1.104 -5.419 453 1HB ALA 51 1HB ALA 51 2.840 2.933 -6.965 454 2HB ALA 51 2HB ALA 51 1.116 3.149 -6.524 455 3HB ALA 51 3HB ALA 51 2.354 4.157 -5.763 456 H ARG 52 H ARG 52 3.062 3.776 -3.158 457 HA ARG 52 HA ARG 52 5.830 3.105 -3.009 458 1HB ARG 52 1HB ARG 52 4.710 5.211 -2.242 459 2HB ARG 52 2HB ARG 52 4.093 4.356 -0.820 460 1HG ARG 52 1HG ARG 52 7.067 4.404 -1.479 461 2HG ARG 52 2HG ARG 52 6.282 5.755 -0.661 462 1HD ARG 52 1HD ARG 52 5.387 3.361 0.638 463 2HD ARG 52 2HD ARG 52 7.149 3.237 0.474 464 HE ARG 52 HE ARG 52 5.526 5.150 2.025 465 1HH1 ARG 52 2HH2 ARG 52 8.843 4.708 0.714 466 2HH1 ARG 52 1HH2 ARG 52 9.494 5.841 1.803 467 1HH2 ARG 52 2HH1 ARG 52 6.483 6.281 3.669 468 2HH2 ARG 52 1HH1 ARG 52 8.196 6.583 3.657 469 H ILE 53 H ILE 53 3.186 2.145 -0.654 470 HA ILE 53 HA ILE 53 4.759 0.299 0.764 471 HB ILE 53 HB ILE 53 1.734 0.543 0.365 472 1HG1 ILE 53 1HG1 ILE 53 2.195 1.015 2.999 473 2HG1 ILE 53 2HG1 ILE 53 3.785 1.441 2.382 474 1HG2 ILE 53 1HG2 ILE 53 1.601 -0.950 2.343 475 2HG2 ILE 53 2HG2 ILE 53 2.302 -1.776 0.955 476 3HG2 ILE 53 3HG2 ILE 53 3.364 -1.189 2.242 477 1HD1 ILE 53 1HD1 ILE 53 2.192 3.292 2.818 478 2HD1 ILE 53 2HD1 ILE 53 2.855 3.279 1.174 479 3HD1 ILE 53 3HD1 ILE 53 1.192 2.666 1.492 480 H LYS 54 H LYS 54 2.547 -0.461 -2.029 481 HA LYS 54 HA LYS 54 3.317 -3.172 -1.820 482 1HB LYS 54 1HB LYS 54 1.999 -3.587 -3.735 483 2HB LYS 54 2HB LYS 54 1.187 -2.250 -3.025 484 1HG LYS 54 1HG LYS 54 1.360 -1.665 -5.326 485 2HG LYS 54 2HG LYS 54 2.808 -0.864 -4.698 486 1HD LYS 54 1HD LYS 54 4.098 -1.962 -6.106 487 2HD LYS 54 2HD LYS 54 3.640 -3.503 -5.357 488 1HE LYS 54 1HE LYS 54 1.623 -3.602 -6.813 489 2HE LYS 54 2HE LYS 54 2.173 -2.130 -7.620 490 1HZ LYS 54 1HZ LYS 54 2.960 -3.986 -8.885 491 2HZ LYS 54 2HZ LYS 54 4.270 -3.377 -8.142 492 3HZ LYS 54 3HZ LYS 54 3.598 -4.748 -7.549 493 H THR 55 H THR 55 4.859 -0.446 -3.560 494 HA THR 55 HA THR 55 6.887 -1.926 -4.899 495 HB THR 55 HB THR 55 6.789 0.845 -3.727 496 HG1 THR 55 HG1 THR 55 5.642 0.765 -5.368 497 1HG2 THR 55 1HG2 THR 55 8.844 1.443 -4.943 498 2HG2 THR 55 2HG2 THR 55 9.147 0.359 -3.588 499 3HG2 THR 55 3HG2 THR 55 9.150 -0.278 -5.233 500 H ILE 56 H ILE 56 6.663 -0.793 -1.462 501 HA ILE 56 HA ILE 56 9.286 -1.517 -0.682 502 HB ILE 56 HB ILE 56 6.744 -1.468 0.902 503 1HG1 ILE 56 1HG1 ILE 56 7.996 0.622 -0.010 504 2HG1 ILE 56 2HG1 ILE 56 7.345 0.563 1.600 505 1HG2 ILE 56 1HG2 ILE 56 7.839 -1.825 2.973 506 2HG2 ILE 56 2HG2 ILE 56 8.191 -3.231 1.954 507 3HG2 ILE 56 3HG2 ILE 56 9.412 -2.004 2.221 508 1HD1 ILE 56 1HD1 ILE 56 9.530 0.248 2.573 509 2HD1 ILE 56 2HD1 ILE 56 10.270 0.053 0.973 510 3HD1 ILE 56 3HD1 ILE 56 9.563 1.609 1.454 511 H LEU 57 H LEU 57 6.282 -3.537 -0.669 512 HA LEU 57 HA LEU 57 7.609 -5.926 0.164 513 1HB LEU 57 1HB LEU 57 5.074 -5.502 -0.010 514 2HB LEU 57 2HB LEU 57 5.205 -5.831 -1.729 515 HG LEU 57 HG LEU 57 5.977 -7.774 0.507 516 1HD1 LEU 57 1HD1 LEU 57 3.550 -7.289 0.497 517 2HD1 LEU 57 2HD1 LEU 57 3.488 -7.726 -1.247 518 3HD1 LEU 57 3HD1 LEU 57 3.882 -8.936 -0.017 519 1HD2 LEU 57 1HD2 LEU 57 5.851 -8.087 -2.508 520 2HD2 LEU 57 2HD2 LEU 57 7.155 -8.514 -1.357 521 3HD2 LEU 57 3HD2 LEU 57 5.698 -9.475 -1.410 522 H ARG 58 H ARG 58 6.988 -4.679 -3.185 523 HA ARG 58 HA ARG 58 8.175 -6.855 -4.496 524 1HB ARG 58 1HB ARG 58 7.004 -4.469 -5.263 525 2HB ARG 58 2HB ARG 58 8.663 -4.202 -5.770 526 1HG ARG 58 1HG ARG 58 7.003 -6.667 -6.428 527 2HG ARG 58 2HG ARG 58 7.165 -5.290 -7.505 528 1HD ARG 58 1HD ARG 58 9.771 -6.408 -6.627 529 2HD ARG 58 2HD ARG 58 8.770 -7.573 -7.444 530 HE ARG 58 HE ARG 58 9.721 -4.940 -8.511 531 1HH1 ARG 58 2HH2 ARG 58 8.631 -8.290 -9.238 532 2HH1 ARG 58 1HH2 ARG 58 9.123 -8.185 -10.889 533 1HH2 ARG 58 2HH1 ARG 58 10.188 -4.789 -10.688 534 2HH2 ARG 58 1HH1 ARG 58 10.045 -6.187 -11.707 535 H GLU 59 H GLU 59 9.683 -3.895 -3.366 536 HA GLU 59 HA GLU 59 12.398 -4.393 -4.072 537 1HB GLU 59 1HB GLU 59 11.485 -3.166 -1.474 538 2HB GLU 59 2HB GLU 59 13.031 -2.914 -2.204 539 1HG GLU 59 1HG GLU 59 11.098 -2.084 -4.127 540 2HG GLU 59 2HG GLU 59 10.624 -1.412 -2.565 541 H ARG 60 H ARG 60 10.489 -5.672 -1.373 542 HA ARG 60 HA ARG 60 12.753 -7.000 -0.054 543 1HB ARG 60 1HB ARG 60 9.813 -7.668 0.334 544 2HB ARG 60 2HB ARG 60 11.143 -8.077 1.402 545 1HG ARG 60 1HG ARG 60 9.904 -5.389 0.886 546 2HG ARG 60 2HG ARG 60 9.612 -6.374 2.287 547 1HD ARG 60 1HD ARG 60 12.156 -4.964 1.497 548 2HD ARG 60 2HD ARG 60 10.975 -4.448 2.729 549 HE ARG 60 HE ARG 60 11.690 -6.887 3.648 550 1HH1 ARG 60 2HH2 ARG 60 13.528 -3.972 2.869 551 2HH1 ARG 60 1HH2 ARG 60 15.056 -4.588 3.437 552 1HH2 ARG 60 2HH1 ARG 60 13.627 -7.531 4.771 553 2HH2 ARG 60 1HH1 ARG 60 15.134 -6.802 4.253 554 H GLU 61 H GLU 61 10.586 -7.756 -2.622 555 HA GLU 61 HA GLU 61 10.858 -10.638 -2.523 556 1HB GLU 61 1HB GLU 61 10.164 -8.941 -4.951 557 2HB GLU 61 2HB GLU 61 10.113 -10.683 -4.854 558 1HG GLU 61 1HG GLU 61 8.298 -10.541 -3.161 559 2HG GLU 61 2HG GLU 61 8.387 -8.793 -3.256 560 H LEU 62 H LEU 62 12.473 -8.103 -4.740 561 HA LEU 62 HA LEU 62 14.431 -9.980 -5.535 562 1HB LEU 62 1HB LEU 62 14.710 -6.991 -5.557 563 2HB LEU 62 2HB LEU 62 15.352 -8.170 -6.679 564 HG LEU 62 HG LEU 62 13.858 -7.603 -8.058 565 1HD1 LEU 62 1HD1 LEU 62 12.651 -9.629 -7.354 566 2HD1 LEU 62 2HD1 LEU 62 11.494 -8.538 -6.538 567 3HD1 LEU 62 3HD1 LEU 62 11.731 -8.432 -8.277 568 1HD2 LEU 62 1HD2 LEU 62 11.968 -6.035 -7.640 569 2HD2 LEU 62 2HD2 LEU 62 12.443 -6.067 -5.924 570 3HD2 LEU 62 3HD2 LEU 62 13.568 -5.474 -7.171 571 H GLY 63 H GLY 63 14.205 -7.922 -2.687 572 1HA GLY 63 1HA GLY 63 15.671 -7.912 -0.877 573 2HA GLY 63 2HA GLY 63 16.954 -8.622 -1.868 574 H ILE 64 H ILE 64 15.232 -5.851 -3.190 575 HA ILE 64 HA ILE 64 17.561 -4.364 -3.664 576 HB ILE 64 HB ILE 64 14.585 -3.866 -3.640 577 1HG1 ILE 64 1HG1 ILE 64 15.805 -5.106 -5.522 578 2HG1 ILE 64 2HG1 ILE 64 14.634 -3.853 -5.940 579 1HG2 ILE 64 1HG2 ILE 64 14.926 -1.632 -4.725 580 2HG2 ILE 64 2HG2 ILE 64 15.233 -1.704 -2.988 581 3HG2 ILE 64 3HG2 ILE 64 16.593 -1.682 -4.122 582 1HD1 ILE 64 1HD1 ILE 64 16.406 -2.281 -6.481 583 2HD1 ILE 64 2HD1 ILE 64 17.638 -3.416 -5.876 584 3HD1 ILE 64 3HD1 ILE 64 16.676 -3.798 -7.326 585 H ARG 65 H ARG 65 15.411 -4.447 -0.974 586 HA ARG 65 HA ARG 65 16.771 -2.130 0.357 587 1HB ARG 65 1HB ARG 65 14.056 -3.432 0.778 588 2HB ARG 65 2HB ARG 65 14.738 -2.342 1.986 589 1HG ARG 65 1HG ARG 65 14.584 -1.409 -0.866 590 2HG ARG 65 2HG ARG 65 13.136 -1.435 0.094 591 1HD ARG 65 1HD ARG 65 13.862 0.723 0.391 592 2HD ARG 65 2HD ARG 65 14.337 -0.086 1.881 593 HE ARG 65 HE ARG 65 16.518 0.396 1.392 594 1HH1 ARG 65 2HH2 ARG 65 14.671 0.502 -1.702 595 2HH1 ARG 65 1HH2 ARG 65 15.970 1.293 -2.543 596 1HH2 ARG 65 2HH1 ARG 65 18.273 1.372 0.124 597 2HH2 ARG 65 1HH1 ARG 65 17.935 1.748 -1.537 598 H ARG 66 H ARG 66 17.682 -4.959 0.011 599 HA ARG 66 HA ARG 66 18.345 -6.776 1.066 600 1HB ARG 66 1HB ARG 66 19.735 -4.818 2.280 601 2HB ARG 66 2HB ARG 66 18.782 -5.281 3.665 602 1HG ARG 66 1HG ARG 66 19.686 -7.536 3.656 603 2HG ARG 66 2HG ARG 66 20.271 -7.334 1.998 604 1HD ARG 66 1HD ARG 66 22.260 -6.946 2.992 605 2HD ARG 66 2HD ARG 66 21.658 -5.315 3.059 606 HE ARG 66 HE ARG 66 22.178 -7.138 5.231 607 1HH1 ARG 66 2HH2 ARG 66 20.096 -4.363 4.544 608 2HH1 ARG 66 1HH2 ARG 66 20.345 -3.611 6.072 609 1HH2 ARG 66 2HH1 ARG 66 22.583 -6.128 7.190 610 2HH2 ARG 66 1HH1 ARG 66 21.998 -4.539 7.554 Start of MODEL 20 1 1H MET 1 1H MET 1 11.297 11.692 1.321 2 HA MET 1 HA MET 1 9.054 10.091 2.255 3 1HB MET 1 1HB MET 1 10.502 10.528 -0.328 4 2HB MET 1 2HB MET 1 10.021 8.866 -0.034 5 1HG MET 1 1HG MET 1 7.667 9.778 0.508 6 2HG MET 1 2HG MET 1 8.212 11.317 -0.140 7 1HE MET 1 1HE MET 1 5.933 9.661 -0.761 8 2HE MET 1 2HE MET 1 5.785 9.901 -2.519 9 3HE MET 1 3HE MET 1 6.111 8.283 -1.861 10 H LYS 2 H LYS 2 9.892 8.998 4.072 11 HA LYS 2 HA LYS 2 12.153 7.220 3.438 12 1HB LYS 2 1HB LYS 2 12.232 9.261 5.270 13 2HB LYS 2 2HB LYS 2 11.743 7.907 6.281 14 1HG LYS 2 1HG LYS 2 13.674 6.618 5.617 15 2HG LYS 2 2HG LYS 2 14.070 7.735 4.329 16 1HD LYS 2 1HD LYS 2 14.236 9.518 6.319 17 2HD LYS 2 2HD LYS 2 14.403 8.081 7.317 18 1HE LYS 2 1HE LYS 2 16.106 7.863 4.979 19 2HE LYS 2 2HE LYS 2 16.367 9.413 5.745 20 1HZ LYS 2 1HZ LYS 2 16.324 7.824 7.844 21 2HZ LYS 2 2HZ LYS 2 16.932 6.787 6.741 22 3HZ LYS 2 3HZ LYS 2 17.692 8.216 7.037 23 H ALA 3 H ALA 3 11.901 5.061 3.918 24 HA ALA 3 HA ALA 3 9.192 4.231 4.445 25 1HB ALA 3 1HB ALA 3 9.869 2.506 3.206 26 2HB ALA 3 2HB ALA 3 11.500 3.208 3.108 27 3HB ALA 3 3HB ALA 3 11.089 2.061 4.410 28 H SER 4 H SER 4 11.563 5.405 6.419 29 HA SER 4 HA SER 4 12.116 3.667 8.357 30 1HB SER 4 1HB SER 4 12.410 5.482 9.789 31 2HB SER 4 2HB SER 4 12.541 6.234 8.190 32 HG SER 4 HG SER 4 10.434 6.387 10.109 33 H GLU 5 H GLU 5 8.923 4.873 7.501 34 HA GLU 5 HA GLU 5 7.795 3.888 9.960 35 1HB GLU 5 1HB GLU 5 5.634 4.709 8.929 36 2HB GLU 5 2HB GLU 5 6.852 5.945 9.149 37 1HG GLU 5 1HG GLU 5 7.475 5.857 6.784 38 2HG GLU 5 2HG GLU 5 6.486 4.444 6.517 39 H LEU 6 H LEU 6 7.881 3.118 6.450 40 HA LEU 6 HA LEU 6 6.072 0.949 6.673 41 1HB LEU 6 1HB LEU 6 7.737 2.256 4.597 42 2HB LEU 6 2HB LEU 6 7.553 0.550 4.374 43 HG LEU 6 HG LEU 6 5.249 0.719 3.922 44 1HD1 LEU 6 1HD1 LEU 6 5.286 2.970 5.892 45 2HD1 LEU 6 2HD1 LEU 6 3.955 2.856 4.723 46 3HD1 LEU 6 3HD1 LEU 6 4.274 1.513 5.843 47 1HD2 LEU 6 1HD2 LEU 6 5.053 3.294 2.967 48 2HD2 LEU 6 2HD2 LEU 6 6.802 2.986 2.933 49 3HD2 LEU 6 3HD2 LEU 6 5.693 1.888 2.087 50 H ARG 7 H ARG 7 9.661 1.218 6.414 51 HA ARG 7 HA ARG 7 9.976 -1.571 6.725 52 1HB ARG 7 1HB ARG 7 11.586 0.130 5.575 53 2HB ARG 7 2HB ARG 7 12.117 0.558 7.192 54 1HG ARG 7 1HG ARG 7 12.061 -2.358 6.868 55 2HG ARG 7 2HG ARG 7 13.003 -1.618 5.608 56 1HD ARG 7 1HD ARG 7 14.010 -0.205 7.666 57 2HD ARG 7 2HD ARG 7 13.480 -1.610 8.578 58 HE ARG 7 HE ARG 7 14.848 -2.677 6.402 59 1HH1 ARG 7 2HH2 ARG 7 15.641 -0.393 8.969 60 2HH1 ARG 7 1HH2 ARG 7 17.321 -0.785 8.989 61 1HH2 ARG 7 2HH1 ARG 7 17.078 -3.208 6.422 62 2HH2 ARG 7 1HH1 ARG 7 18.147 -2.405 7.516 63 H ASN 8 H ASN 8 8.902 0.719 8.864 64 HA ASN 8 HA ASN 8 10.551 0.153 11.090 65 1HB ASN 8 1HB ASN 8 8.461 1.981 10.438 66 2HB ASN 8 2HB ASN 8 7.846 1.052 11.771 67 1HD2 ASN 8 1HD2 ASN 8 7.931 2.717 13.213 68 2HD2 ASN 8 2HD2 ASN 8 9.411 3.366 13.855 69 H TYR 9 H TYR 9 8.323 -1.695 9.357 70 HA TYR 9 HA TYR 9 7.295 -3.194 11.668 71 1HB TYR 9 1HB TYR 9 6.546 -2.773 8.855 72 2HB TYR 9 2HB TYR 9 5.881 -4.118 9.757 73 HD1 TYR 9 HD1 TYR 9 5.768 -0.567 8.971 74 HD2 TYR 9 HD2 TYR 9 4.386 -3.556 11.700 75 HE1 TYR 9 HE1 TYR 9 3.945 0.998 9.778 76 HE2 TYR 9 HE2 TYR 9 2.573 -1.996 12.497 77 HH TYR 9 HH TYR 9 1.738 0.812 10.820 78 H THR 10 H THR 10 7.058 -5.545 11.369 79 HA THR 10 HA THR 10 9.665 -6.536 10.564 80 HB THR 10 HB THR 10 8.876 -8.571 11.737 81 HG1 THR 10 HG1 THR 10 6.684 -8.823 11.808 82 1HG2 THR 10 1HG2 THR 10 9.037 -7.654 13.835 83 2HG2 THR 10 2HG2 THR 10 9.206 -6.096 13.002 84 3HG2 THR 10 3HG2 THR 10 7.607 -6.626 13.575 85 H ASP 11 H ASP 11 10.028 -8.199 9.029 86 HA ASP 11 HA ASP 11 9.018 -7.913 6.633 87 1HB ASP 11 1HB ASP 11 9.586 -10.624 7.911 88 2HB ASP 11 2HB ASP 11 9.556 -10.315 6.185 89 H GLU 12 H GLU 12 7.693 -10.186 9.141 90 HA GLU 12 HA GLU 12 5.613 -11.135 7.621 91 1HB GLU 12 1HB GLU 12 6.523 -11.991 9.873 92 2HB GLU 12 2HB GLU 12 5.506 -10.782 10.629 93 1HG GLU 12 1HG GLU 12 3.839 -12.114 8.735 94 2HG GLU 12 2HG GLU 12 4.780 -13.375 9.514 95 H GLU 13 H GLU 13 5.817 -8.301 9.820 96 HA GLU 13 HA GLU 13 3.090 -7.674 9.604 97 1HB GLU 13 1HB GLU 13 5.542 -6.440 10.730 98 2HB GLU 13 2HB GLU 13 4.321 -5.288 10.249 99 1HG GLU 13 1HG GLU 13 2.936 -7.407 11.592 100 2HG GLU 13 2HG GLU 13 4.340 -7.048 12.566 101 H LEU 14 H LEU 14 6.059 -6.587 7.872 102 HA LEU 14 HA LEU 14 5.130 -4.513 6.445 103 1HB LEU 14 1HB LEU 14 7.067 -6.727 5.881 104 2HB LEU 14 2HB LEU 14 6.602 -5.673 4.546 105 HG LEU 14 HG LEU 14 8.508 -4.681 5.343 106 1HD1 LEU 14 1HD1 LEU 14 5.893 -3.103 4.881 107 2HD1 LEU 14 2HD1 LEU 14 6.812 -3.187 7.249 108 3HD1 LEU 14 3HD1 LEU 14 7.754 -2.262 5.417 109 1HD2 LEU 14 1HD2 LEU 14 8.704 -6.096 7.353 110 2HD2 LEU 14 2HD2 LEU 14 9.196 -4.419 7.599 111 3HD2 LEU 14 3HD2 LEU 14 7.616 -4.978 8.194 112 H LYS 15 H LYS 15 5.000 -7.905 5.147 113 HA LYS 15 HA LYS 15 3.314 -7.300 3.052 114 1HB LYS 15 1HB LYS 15 2.819 -9.734 3.060 115 2HB LYS 15 2HB LYS 15 4.531 -9.363 3.126 116 1HG LYS 15 1HG LYS 15 4.396 -10.972 4.790 117 2HG LYS 15 2HG LYS 15 4.173 -9.512 5.752 118 1HD LYS 15 1HD LYS 15 2.306 -10.634 6.523 119 2HD LYS 15 2HD LYS 15 1.571 -10.015 5.060 120 1HE LYS 15 1HE LYS 15 1.131 -12.404 5.201 121 2HE LYS 15 2HE LYS 15 2.201 -12.109 3.860 122 1HZ LYS 15 1HZ LYS 15 2.816 -13.952 5.397 123 2HZ LYS 15 2HZ LYS 15 4.013 -12.877 5.080 124 3HZ LYS 15 3HZ LYS 15 3.207 -12.819 6.509 125 H ASN 16 H ASN 16 2.572 -8.151 6.477 126 HA ASN 16 HA ASN 16 -0.181 -8.322 6.067 127 1HB ASN 16 1HB ASN 16 1.472 -8.923 8.138 128 2HB ASN 16 2HB ASN 16 0.896 -7.369 8.712 129 1HD2 ASN 16 1HD2 ASN 16 -1.234 -7.079 9.275 130 2HD2 ASN 16 2HD2 ASN 16 -2.368 -8.376 9.473 131 H LEU 17 H LEU 17 1.936 -5.706 5.803 132 HA LEU 17 HA LEU 17 -0.074 -3.781 6.694 133 1HB LEU 17 1HB LEU 17 2.623 -3.960 7.294 134 2HB LEU 17 2HB LEU 17 2.567 -2.733 6.052 135 HG LEU 17 HG LEU 17 0.479 -2.059 7.805 136 1HD1 LEU 17 1HD1 LEU 17 1.579 -1.935 9.998 137 2HD1 LEU 17 2HD1 LEU 17 1.318 -3.610 9.473 138 3HD1 LEU 17 3HD1 LEU 17 2.937 -2.891 9.358 139 1HD2 LEU 17 1HD2 LEU 17 3.117 -0.979 7.001 140 2HD2 LEU 17 2HD2 LEU 17 1.505 -0.221 7.004 141 3HD2 LEU 17 3HD2 LEU 17 2.435 -0.341 8.511 142 H LEU 18 H LEU 18 1.996 -4.874 4.003 143 HA LEU 18 HA LEU 18 1.027 -2.783 2.281 144 1HB LEU 18 1HB LEU 18 2.521 -5.162 1.275 145 2HB LEU 18 2HB LEU 18 2.594 -3.488 0.760 146 HG LEU 18 HG LEU 18 3.997 -4.852 3.018 147 1HD1 LEU 18 1HD1 LEU 18 5.352 -2.686 1.631 148 2HD1 LEU 18 2HD1 LEU 18 5.839 -4.358 1.890 149 3HD1 LEU 18 3HD1 LEU 18 4.755 -3.948 0.533 150 1HD2 LEU 18 1HD2 LEU 18 3.767 -3.188 4.485 151 2HD2 LEU 18 2HD2 LEU 18 4.405 -2.031 3.300 152 3HD2 LEU 18 3HD2 LEU 18 2.667 -2.360 3.386 153 H GLU 19 H GLU 19 0.520 -6.299 2.800 154 HA GLU 19 HA GLU 19 -1.032 -6.796 0.610 155 1HB GLU 19 1HB GLU 19 -1.710 -8.780 1.735 156 2HB GLU 19 2HB GLU 19 -0.128 -8.428 2.375 157 1HG GLU 19 1HG GLU 19 -1.225 -7.283 4.346 158 2HG GLU 19 2HG GLU 19 -2.793 -7.721 3.702 159 H GLU 20 H GLU 20 -1.768 -5.009 3.571 160 HA GLU 20 HA GLU 20 -4.588 -5.148 3.160 161 1HB GLU 20 1HB GLU 20 -3.612 -4.957 5.429 162 2HB GLU 20 2HB GLU 20 -2.907 -3.407 5.010 163 1HG GLU 20 1HG GLU 20 -5.455 -2.825 4.366 164 2HG GLU 20 2HG GLU 20 -5.820 -4.117 5.524 165 H LYS 21 H LYS 21 -1.887 -2.985 2.327 166 HA LYS 21 HA LYS 21 -3.581 -0.811 1.577 167 1HB LYS 21 1HB LYS 21 -0.652 -1.376 1.056 168 2HB LYS 21 2HB LYS 21 -1.457 0.125 0.647 169 1HG LYS 21 1HG LYS 21 -1.485 -0.999 3.473 170 2HG LYS 21 2HG LYS 21 -0.215 0.060 2.911 171 1HD LYS 21 1HD LYS 21 -3.117 0.879 2.572 172 2HD LYS 21 2HD LYS 21 -2.334 1.078 4.123 173 1HE LYS 21 1HE LYS 21 -0.527 2.431 3.044 174 2HE LYS 21 2HE LYS 21 -1.288 2.210 1.479 175 1HZ LYS 21 1HZ LYS 21 -1.809 4.206 3.217 176 2HZ LYS 21 2HZ LYS 21 -2.748 3.778 1.951 177 3HZ LYS 21 3HZ LYS 21 -3.081 3.211 3.439 178 H LYS 22 H LYS 22 -1.581 -3.218 -0.253 179 HA LYS 22 HA LYS 22 -2.265 -2.490 -2.780 180 1HB LYS 22 1HB LYS 22 -0.872 -4.553 -1.617 181 2HB LYS 22 2HB LYS 22 -2.228 -5.413 -2.325 182 1HG LYS 22 1HG LYS 22 -1.775 -4.361 -4.530 183 2HG LYS 22 2HG LYS 22 -0.469 -3.422 -3.834 184 1HD LYS 22 1HD LYS 22 0.924 -5.123 -4.319 185 2HD LYS 22 2HD LYS 22 0.132 -6.080 -3.087 186 1HE LYS 22 1HE LYS 22 -1.361 -5.968 -5.653 187 2HE LYS 22 2HE LYS 22 0.227 -6.701 -5.798 188 1HZ LYS 22 1HZ LYS 22 -1.989 -7.892 -4.736 189 2HZ LYS 22 2HZ LYS 22 -0.543 -8.483 -4.869 190 3HZ LYS 22 3HZ LYS 22 -0.963 -7.677 -3.479 191 H ARG 23 H ARG 23 -4.047 -4.913 -0.732 192 HA ARG 23 HA ARG 23 -6.094 -5.257 -2.541 193 1HB ARG 23 1HB ARG 23 -7.283 -6.335 -0.726 194 2HB ARG 23 2HB ARG 23 -5.578 -6.673 -0.484 195 1HG ARG 23 1HG ARG 23 -5.479 -4.707 1.102 196 2HG ARG 23 2HG ARG 23 -7.216 -4.524 0.945 197 1HD ARG 23 1HD ARG 23 -5.893 -7.112 1.857 198 2HD ARG 23 2HD ARG 23 -6.439 -5.868 2.971 199 HE ARG 23 HE ARG 23 -8.618 -6.419 1.245 200 1HH1 ARG 23 2HH2 ARG 23 -6.716 -8.080 3.701 201 2HH1 ARG 23 1HH2 ARG 23 -8.022 -9.128 4.170 202 1HH2 ARG 23 2HH1 ARG 23 -10.326 -7.792 1.856 203 2HH2 ARG 23 1HH1 ARG 23 -10.065 -8.949 3.114 204 H GLN 24 H GLN 24 -5.727 -2.969 0.235 205 HA GLN 24 HA GLN 24 -8.178 -1.932 0.406 206 1HB GLN 24 1HB GLN 24 -5.438 -0.932 0.861 207 2HB GLN 24 2HB GLN 24 -6.575 0.353 0.553 208 1HG GLN 24 1HG GLN 24 -7.786 -1.591 2.350 209 2HG GLN 24 2HG GLN 24 -6.217 -1.126 2.975 210 1HE2 GLN 24 1HE2 GLN 24 -6.239 0.511 4.304 211 2HE2 GLN 24 2HE2 GLN 24 -7.321 1.864 4.279 212 H LEU 25 H LEU 25 -5.612 -0.666 -1.837 213 HA LEU 25 HA LEU 25 -7.118 1.223 -3.117 214 1HB LEU 25 1HB LEU 25 -4.780 1.105 -3.484 215 2HB LEU 25 2HB LEU 25 -4.883 -0.560 -4.067 216 HG LEU 25 HG LEU 25 -4.444 1.032 -5.870 217 1HD1 LEU 25 1HD1 LEU 25 -6.073 -1.084 -6.007 218 2HD1 LEU 25 2HD1 LEU 25 -7.214 0.179 -6.523 219 3HD1 LEU 25 3HD1 LEU 25 -5.695 -0.066 -7.410 220 1HD2 LEU 25 1HD2 LEU 25 -7.141 2.198 -5.914 221 2HD2 LEU 25 2HD2 LEU 25 -6.123 2.742 -4.561 222 3HD2 LEU 25 3HD2 LEU 25 -5.566 2.943 -6.235 223 H MET 26 H MET 26 -6.814 -2.183 -3.982 224 HA MET 26 HA MET 26 -8.612 -2.134 -6.084 225 1HB MET 26 1HB MET 26 -7.235 -4.041 -6.079 226 2HB MET 26 2HB MET 26 -7.402 -4.297 -4.353 227 1HG MET 26 1HG MET 26 -8.623 -6.026 -5.535 228 2HG MET 26 2HG MET 26 -9.686 -4.953 -4.648 229 1HE MET 26 1HE MET 26 -11.787 -5.007 -5.649 230 2HE MET 26 2HE MET 26 -12.244 -4.866 -7.356 231 3HE MET 26 3HE MET 26 -11.527 -6.377 -6.760 232 H GLU 27 H GLU 27 -9.073 -2.231 -2.609 233 HA GLU 27 HA GLU 27 -11.741 -3.255 -2.823 234 1HB GLU 27 1HB GLU 27 -10.296 -2.054 -0.419 235 2HB GLU 27 2HB GLU 27 -11.793 -2.965 -0.376 236 1HG GLU 27 1HG GLU 27 -9.722 -4.462 -1.813 237 2HG GLU 27 2HG GLU 27 -9.158 -4.001 -0.216 238 H LEU 28 H LEU 28 -10.048 -0.133 -2.510 239 HA LEU 28 HA LEU 28 -12.370 1.362 -1.855 240 1HB LEU 28 1HB LEU 28 -9.534 1.892 -2.551 241 2HB LEU 28 2HB LEU 28 -10.670 3.183 -2.888 242 HG LEU 28 HG LEU 28 -11.073 3.638 -0.704 243 1HD1 LEU 28 1HD1 LEU 28 -10.533 1.777 1.103 244 2HD1 LEU 28 2HD1 LEU 28 -12.068 1.798 0.205 245 3HD1 LEU 28 3HD1 LEU 28 -10.766 0.691 -0.280 246 1HD2 LEU 28 1HD2 LEU 28 -9.062 3.860 0.400 247 2HD2 LEU 28 2HD2 LEU 28 -8.452 2.279 -0.148 248 3HD2 LEU 28 3HD2 LEU 28 -8.540 3.653 -1.284 249 H ARG 29 H ARG 29 -10.523 0.767 -4.913 250 HA ARG 29 HA ARG 29 -12.122 2.330 -6.510 251 1HB ARG 29 1HB ARG 29 -11.204 1.009 -8.394 252 2HB ARG 29 2HB ARG 29 -9.944 1.351 -7.220 253 1HG ARG 29 1HG ARG 29 -10.286 -0.914 -6.213 254 2HG ARG 29 2HG ARG 29 -11.515 -1.265 -7.409 255 1HD ARG 29 1HD ARG 29 -8.630 -0.549 -8.097 256 2HD ARG 29 2HD ARG 29 -9.232 -2.193 -7.984 257 HE ARG 29 HE ARG 29 -11.006 -0.923 -9.724 258 1HH1 ARG 29 2HH2 ARG 29 -7.534 -1.503 -9.641 259 2HH1 ARG 29 1HH2 ARG 29 -7.369 -1.544 -11.358 260 1HH2 ARG 29 2HH1 ARG 29 -10.787 -0.969 -12.009 261 2HH2 ARG 29 1HH1 ARG 29 -9.236 -1.232 -12.720 262 H PHE 30 H PHE 30 -12.637 -0.884 -5.120 263 HA PHE 30 HA PHE 30 -14.641 -1.720 -6.926 264 1HB PHE 30 1HB PHE 30 -13.422 -3.317 -5.527 265 2HB PHE 30 2HB PHE 30 -13.759 -2.399 -4.078 266 HD1 PHE 30 HD1 PHE 30 -15.394 -4.466 -6.681 267 HD2 PHE 30 HD2 PHE 30 -15.622 -2.889 -2.747 268 HE1 PHE 30 HE1 PHE 30 -17.419 -5.882 -6.240 269 HE2 PHE 30 HE2 PHE 30 -17.626 -4.325 -2.296 270 HZ PHE 30 HZ PHE 30 -18.452 -5.792 -4.035 271 H GLN 31 H GLN 31 -14.577 0.342 -4.043 272 HA GLN 31 HA GLN 31 -17.350 0.121 -3.540 273 1HB GLN 31 1HB GLN 31 -15.124 1.950 -2.600 274 2HB GLN 31 2HB GLN 31 -16.785 2.356 -2.232 275 1HG GLN 31 1HG GLN 31 -16.582 -0.396 -1.640 276 2HG GLN 31 2HG GLN 31 -15.079 0.281 -1.074 277 1HE2 GLN 31 1HE2 GLN 31 -17.796 -0.673 0.118 278 2HE2 GLN 31 2HE2 GLN 31 -18.176 0.531 1.308 279 H LEU 32 H LEU 32 -15.245 2.622 -5.109 280 HA LEU 32 HA LEU 32 -17.257 4.404 -5.723 281 1HB LEU 32 1HB LEU 32 -14.762 4.712 -5.862 282 2HB LEU 32 2HB LEU 32 -14.807 3.853 -7.390 283 HG LEU 32 HG LEU 32 -16.512 5.650 -8.128 284 1HD1 LEU 32 1HD1 LEU 32 -15.243 7.167 -5.835 285 2HD1 LEU 32 2HD1 LEU 32 -16.440 7.774 -7.006 286 3HD1 LEU 32 3HD1 LEU 32 -16.898 6.545 -5.836 287 1HD2 LEU 32 1HD2 LEU 32 -14.717 7.128 -8.835 288 2HD2 LEU 32 2HD2 LEU 32 -13.619 6.424 -7.641 289 3HD2 LEU 32 3HD2 LEU 32 -14.232 5.451 -8.990 290 H ALA 33 H ALA 33 -15.933 1.685 -7.708 291 HA ALA 33 HA ALA 33 -17.458 1.994 -9.946 292 1HB ALA 33 1HB ALA 33 -16.209 0.172 -10.368 293 2HB ALA 33 2HB ALA 33 -15.920 -0.093 -8.633 294 3HB ALA 33 3HB ALA 33 -17.355 -0.784 -9.399 295 H MET 34 H MET 34 -18.432 0.863 -6.714 296 HA MET 34 HA MET 34 -21.006 0.047 -7.731 297 1HB MET 34 1HB MET 34 -19.472 -0.130 -5.131 298 2HB MET 34 2HB MET 34 -21.221 -0.161 -5.018 299 1HG MET 34 1HG MET 34 -20.184 -1.926 -7.159 300 2HG MET 34 2HG MET 34 -19.583 -2.359 -5.568 301 1HE MET 34 1HE MET 34 -23.773 -2.767 -7.224 302 2HE MET 34 2HE MET 34 -23.157 -1.098 -7.135 303 3HE MET 34 3HE MET 34 -22.256 -2.334 -8.047 304 H GLY 35 H GLY 35 -19.472 2.713 -5.940 305 1HA GLY 35 1HA GLY 35 -20.459 4.870 -6.086 306 2HA GLY 35 2HA GLY 35 -22.032 4.176 -6.065 307 H GLN 36 H GLN 36 -19.131 3.516 -3.979 308 HA GLN 36 HA GLN 36 -20.785 4.365 -1.718 309 1HB GLN 36 1HB GLN 36 -18.636 2.262 -1.440 310 2HB GLN 36 2HB GLN 36 -20.028 2.548 -0.421 311 1HG GLN 36 1HG GLN 36 -20.291 1.619 -3.314 312 2HG GLN 36 2HG GLN 36 -20.127 0.493 -1.987 313 1HE2 GLN 36 1HE2 GLN 36 -22.329 1.295 -3.938 314 2HE2 GLN 36 2HE2 GLN 36 -23.729 1.525 -2.946 315 H LEU 37 H LEU 37 -17.530 4.124 -3.200 316 HA LEU 37 HA LEU 37 -15.963 5.159 -1.237 317 1HB LEU 37 1HB LEU 37 -15.504 4.384 -3.691 318 2HB LEU 37 2HB LEU 37 -15.651 6.087 -4.070 319 HG LEU 37 HG LEU 37 -13.819 5.333 -1.833 320 1HD1 LEU 37 1HD1 LEU 37 -12.307 5.264 -4.260 321 2HD1 LEU 37 2HD1 LEU 37 -12.479 4.022 -3.000 322 3HD1 LEU 37 3HD1 LEU 37 -13.606 4.068 -4.367 323 1HD2 LEU 37 1HD2 LEU 37 -14.368 7.637 -3.432 324 2HD2 LEU 37 2HD2 LEU 37 -13.248 7.464 -2.062 325 3HD2 LEU 37 3HD2 LEU 37 -12.684 7.150 -3.716 326 H LYS 38 H LYS 38 -14.985 7.452 -1.153 327 HA LYS 38 HA LYS 38 -17.159 9.409 -1.481 328 1HB LYS 38 1HB LYS 38 -16.377 8.469 0.926 329 2HB LYS 38 2HB LYS 38 -15.233 9.782 0.755 330 1HG LYS 38 1HG LYS 38 -17.315 11.217 0.058 331 2HG LYS 38 2HG LYS 38 -18.269 9.921 0.743 332 1HD LYS 38 1HD LYS 38 -16.397 10.326 2.748 333 2HD LYS 38 2HD LYS 38 -16.570 11.955 2.111 334 1HE LYS 38 1HE LYS 38 -18.993 10.244 2.804 335 2HE LYS 38 2HE LYS 38 -18.189 11.233 4.010 336 1HZ LYS 38 1HZ LYS 38 -18.458 13.004 2.141 337 2HZ LYS 38 2HZ LYS 38 -19.671 12.014 1.700 338 3HZ LYS 38 3HZ LYS 38 -19.658 12.692 3.183 339 H ASN 39 H ASN 39 -16.162 9.821 -3.588 340 HA ASN 39 HA ASN 39 -15.057 11.269 -4.821 341 1HB ASN 39 1HB ASN 39 -14.629 12.399 -2.281 342 2HB ASN 39 2HB ASN 39 -13.022 12.274 -2.974 343 1HD2 ASN 39 1HD2 ASN 39 -12.641 13.182 -5.076 344 2HD2 ASN 39 2HD2 ASN 39 -13.556 14.566 -5.606 345 H THR 40 H THR 40 -13.553 10.376 -6.260 346 HA THR 40 HA THR 40 -11.886 8.266 -5.601 347 HB THR 40 HB THR 40 -11.013 8.616 -7.863 348 HG1 THR 40 HG1 THR 40 -12.236 11.238 -7.418 349 1HG2 THR 40 1HG2 THR 40 -13.801 8.615 -7.332 350 2HG2 THR 40 2HG2 THR 40 -13.558 9.895 -8.540 351 3HG2 THR 40 3HG2 THR 40 -13.017 8.235 -8.877 352 H SER 41 H SER 41 -11.388 11.746 -5.247 353 HA SER 41 HA SER 41 -8.756 12.038 -5.267 354 1HB SER 41 1HB SER 41 -10.885 13.090 -3.393 355 2HB SER 41 2HB SER 41 -9.210 13.477 -3.049 356 HG SER 41 HG SER 41 -10.774 14.186 -5.348 357 H LEU 42 H LEU 42 -10.641 10.223 -2.845 358 HA LEU 42 HA LEU 42 -8.554 9.930 -0.980 359 1HB LEU 42 1HB LEU 42 -10.987 9.622 -0.564 360 2HB LEU 42 2HB LEU 42 -10.935 8.134 -1.495 361 HG LEU 42 HG LEU 42 -9.189 8.563 0.938 362 1HD1 LEU 42 1HD1 LEU 42 -11.499 8.911 1.625 363 2HD1 LEU 42 2HD1 LEU 42 -11.979 7.371 0.871 364 3HD1 LEU 42 3HD1 LEU 42 -10.863 7.371 2.255 365 1HD2 LEU 42 1HD2 LEU 42 -9.394 6.500 -1.019 366 2HD2 LEU 42 2HD2 LEU 42 -8.384 6.561 0.445 367 3HD2 LEU 42 3HD2 LEU 42 -10.025 5.853 0.486 368 H ILE 43 H ILE 43 -9.775 7.772 -3.630 369 HA ILE 43 HA ILE 43 -8.004 5.708 -3.278 370 HB ILE 43 HB ILE 43 -9.650 6.784 -5.475 371 1HG1 ILE 43 1HG1 ILE 43 -10.120 4.927 -3.697 372 2HG1 ILE 43 2HG1 ILE 43 -10.705 4.754 -5.345 373 1HG2 ILE 43 1HG2 ILE 43 -8.586 5.014 -7.036 374 2HG2 ILE 43 2HG2 ILE 43 -7.811 6.597 -6.885 375 3HG2 ILE 43 3HG2 ILE 43 -7.151 5.191 -6.011 376 1HD1 ILE 43 1HD1 ILE 43 -8.098 3.562 -4.309 377 2HD1 ILE 43 2HD1 ILE 43 -9.617 2.667 -4.513 378 3HD1 ILE 43 3HD1 ILE 43 -8.799 3.324 -5.932 379 H LYS 44 H LYS 44 -7.589 8.502 -5.570 380 HA LYS 44 HA LYS 44 -5.070 7.963 -6.403 381 1HB LYS 44 1HB LYS 44 -5.922 9.765 -7.489 382 2HB LYS 44 2HB LYS 44 -6.704 10.409 -6.063 383 1HG LYS 44 1HG LYS 44 -4.822 11.850 -6.834 384 2HG LYS 44 2HG LYS 44 -4.568 11.258 -5.196 385 1HD LYS 44 1HD LYS 44 -3.389 9.255 -6.747 386 2HD LYS 44 2HD LYS 44 -3.033 10.690 -7.655 387 1HE LYS 44 1HE LYS 44 -2.574 10.658 -4.659 388 2HE LYS 44 2HE LYS 44 -1.397 9.919 -5.729 389 1HZ LYS 44 1HZ LYS 44 -0.685 12.071 -5.588 390 2HZ LYS 44 2HZ LYS 44 -1.570 12.138 -6.964 391 3HZ LYS 44 3HZ LYS 44 -2.190 12.716 -5.567 392 H LEU 45 H LEU 45 -6.093 9.336 -3.246 393 HA LEU 45 HA LEU 45 -3.414 9.908 -2.438 394 1HB LEU 45 1HB LEU 45 -6.132 9.966 -1.219 395 2HB LEU 45 2HB LEU 45 -4.737 9.905 -0.153 396 HG LEU 45 HG LEU 45 -5.361 12.031 -2.206 397 1HD1 LEU 45 1HD1 LEU 45 -5.145 12.216 0.815 398 2HD1 LEU 45 2HD1 LEU 45 -5.607 13.501 -0.322 399 3HD1 LEU 45 3HD1 LEU 45 -6.676 12.099 -0.096 400 1HD2 LEU 45 1HD2 LEU 45 -3.278 13.062 -0.843 401 2HD2 LEU 45 2HD2 LEU 45 -2.829 11.341 -0.816 402 3HD2 LEU 45 3HD2 LEU 45 -3.110 12.166 -2.369 403 H THR 46 H THR 46 -5.729 7.190 -2.049 404 HA THR 46 HA THR 46 -4.058 5.764 -0.257 405 HB THR 46 HB THR 46 -6.550 5.216 -1.904 406 HG1 THR 46 HG1 THR 46 -5.828 4.935 0.902 407 1HG2 THR 46 1HG2 THR 46 -6.629 3.005 -0.583 408 2HG2 THR 46 2HG2 THR 46 -5.502 3.030 -1.951 409 3HG2 THR 46 3HG2 THR 46 -4.901 3.227 -0.281 410 H LYS 47 H LYS 47 -4.396 5.902 -3.792 411 HA LYS 47 HA LYS 47 -2.903 3.592 -4.328 412 1HB LYS 47 1HB LYS 47 -4.372 4.636 -5.971 413 2HB LYS 47 2HB LYS 47 -3.381 6.081 -5.981 414 1HG LYS 47 1HG LYS 47 -2.501 4.960 -7.840 415 2HG LYS 47 2HG LYS 47 -1.422 4.382 -6.575 416 1HD LYS 47 1HD LYS 47 -2.657 2.311 -6.344 417 2HD LYS 47 2HD LYS 47 -3.935 2.884 -7.397 418 1HE LYS 47 1HE LYS 47 -2.317 3.018 -9.301 419 2HE LYS 47 2HE LYS 47 -1.044 2.422 -8.248 420 1HZ LYS 47 1HZ LYS 47 -1.991 0.369 -8.164 421 2HZ LYS 47 2HZ LYS 47 -3.506 0.888 -8.487 422 3HZ LYS 47 3HZ LYS 47 -2.403 0.794 -9.684 423 H ARG 48 H ARG 48 -1.947 7.101 -4.308 424 HA ARG 48 HA ARG 48 0.656 6.855 -4.869 425 1HB ARG 48 1HB ARG 48 0.871 9.006 -4.063 426 2HB ARG 48 2HB ARG 48 -0.881 8.901 -4.045 427 1HG ARG 48 1HG ARG 48 -0.622 7.985 -1.620 428 2HG ARG 48 2HG ARG 48 1.029 8.541 -1.707 429 1HD ARG 48 1HD ARG 48 -1.280 10.397 -2.384 430 2HD ARG 48 2HD ARG 48 -0.785 10.148 -0.720 431 HE ARG 48 HE ARG 48 0.661 11.653 -2.759 432 1HH1 ARG 48 2HH2 ARG 48 1.023 9.803 0.220 433 2HH1 ARG 48 1HH2 ARG 48 2.487 10.575 0.682 434 1HH2 ARG 48 2HH1 ARG 48 2.618 12.678 -2.158 435 2HH2 ARG 48 1HH1 ARG 48 3.418 12.233 -0.690 436 H ASP 49 H ASP 49 -0.981 5.937 -1.853 437 HA ASP 49 HA ASP 49 1.520 5.521 -0.514 438 1HB ASP 49 1HB ASP 49 -1.344 5.638 0.182 439 2HB ASP 49 2HB ASP 49 -0.544 4.292 0.966 440 H ILE 50 H ILE 50 -1.071 3.729 -2.198 441 HA ILE 50 HA ILE 50 -0.326 1.156 -1.312 442 HB ILE 50 HB ILE 50 -2.301 2.360 -2.987 443 1HG1 ILE 50 1HG1 ILE 50 -3.119 -0.203 -2.626 444 2HG1 ILE 50 2HG1 ILE 50 -1.911 -0.086 -1.365 445 1HG2 ILE 50 1HG2 ILE 50 -2.514 0.551 -4.690 446 2HG2 ILE 50 2HG2 ILE 50 -1.129 1.637 -4.933 447 3HG2 ILE 50 3HG2 ILE 50 -0.878 0.012 -4.249 448 1HD1 ILE 50 1HD1 ILE 50 -4.512 0.773 -1.096 449 2HD1 ILE 50 2HD1 ILE 50 -3.158 1.392 -0.124 450 3HD1 ILE 50 3HD1 ILE 50 -3.702 2.271 -1.570 451 H ALA 51 H ALA 51 0.463 3.099 -4.262 452 HA ALA 51 HA ALA 51 2.054 1.113 -5.441 453 1HB ALA 51 1HB ALA 51 1.032 3.539 -6.155 454 2HB ALA 51 2HB ALA 51 2.755 3.944 -5.955 455 3HB ALA 51 3HB ALA 51 2.251 2.669 -7.088 456 H ARG 52 H ARG 52 2.600 3.484 -2.863 457 HA ARG 52 HA ARG 52 5.432 3.217 -3.027 458 1HB ARG 52 1HB ARG 52 4.229 5.291 -2.196 459 2HB ARG 52 2HB ARG 52 3.715 4.390 -0.783 460 1HG ARG 52 1HG ARG 52 6.653 4.393 -1.437 461 2HG ARG 52 2HG ARG 52 5.967 5.872 -0.794 462 1HD ARG 52 1HD ARG 52 4.903 3.837 0.848 463 2HD ARG 52 2HD ARG 52 6.558 3.332 0.564 464 HE ARG 52 HE ARG 52 5.694 5.576 2.173 465 1HH1 ARG 52 2HH2 ARG 52 8.292 4.502 0.056 466 2HH1 ARG 52 1HH2 ARG 52 9.491 5.528 0.772 467 1HH2 ARG 52 2HH1 ARG 52 7.278 6.929 3.137 468 2HH2 ARG 52 1HH1 ARG 52 8.904 6.916 2.544 469 H ILE 53 H ILE 53 2.806 2.134 -0.763 470 HA ILE 53 HA ILE 53 4.547 0.724 0.946 471 HB ILE 53 HB ILE 53 1.579 0.933 0.546 472 1HG1 ILE 53 1HG1 ILE 53 2.375 1.333 3.240 473 2HG1 ILE 53 2HG1 ILE 53 3.585 2.112 2.259 474 1HG2 ILE 53 1HG2 ILE 53 1.814 -0.603 2.807 475 2HG2 ILE 53 2HG2 ILE 53 1.305 -1.173 1.198 476 3HG2 ILE 53 3HG2 ILE 53 2.992 -1.346 1.702 477 1HD1 ILE 53 1HD1 ILE 53 0.723 2.518 1.491 478 2HD1 ILE 53 2HD1 ILE 53 1.284 3.295 2.988 479 3HD1 ILE 53 3HD1 ILE 53 2.084 3.664 1.442 480 H LYS 54 H LYS 54 2.296 -0.243 -1.729 481 HA LYS 54 HA LYS 54 2.887 -2.948 -1.594 482 1HB LYS 54 1HB LYS 54 1.618 -3.176 -3.496 483 2HB LYS 54 2HB LYS 54 0.988 -1.698 -2.807 484 1HG LYS 54 1HG LYS 54 1.331 -0.978 -4.993 485 2HG LYS 54 2HG LYS 54 2.892 -0.559 -4.313 486 1HD LYS 54 1HD LYS 54 3.966 -2.005 -5.676 487 2HD LYS 54 2HD LYS 54 2.949 -3.323 -5.155 488 1HE LYS 54 1HE LYS 54 1.650 -3.236 -7.023 489 2HE LYS 54 2HE LYS 54 1.484 -1.490 -6.918 490 1HZ LYS 54 1HZ LYS 54 4.077 -1.888 -7.616 491 2HZ LYS 54 2HZ LYS 54 3.266 -3.005 -8.492 492 3HZ LYS 54 3HZ LYS 54 2.860 -1.433 -8.605 493 H THR 55 H THR 55 4.829 -0.270 -2.539 494 HA THR 55 HA THR 55 6.476 -1.793 -4.369 495 HB THR 55 HB THR 55 6.210 1.036 -3.394 496 HG1 THR 55 HG1 THR 55 5.611 0.951 -5.494 497 1HG2 THR 55 1HG2 THR 55 8.426 1.384 -4.803 498 2HG2 THR 55 2HG2 THR 55 8.553 1.022 -3.068 499 3HG2 THR 55 3HG2 THR 55 8.801 -0.266 -4.275 500 H ILE 56 H ILE 56 6.618 -0.569 -0.989 501 HA ILE 56 HA ILE 56 9.215 -1.139 -0.425 502 HB ILE 56 HB ILE 56 6.680 -1.162 1.155 503 1HG1 ILE 56 1HG1 ILE 56 8.068 0.902 0.400 504 2HG1 ILE 56 2HG1 ILE 56 7.432 0.826 2.030 505 1HG2 ILE 56 1HG2 ILE 56 7.598 -2.822 2.430 506 2HG2 ILE 56 2HG2 ILE 56 9.266 -2.374 2.007 507 3HG2 ILE 56 3HG2 ILE 56 8.360 -1.409 3.194 508 1HD1 ILE 56 1HD1 ILE 56 9.509 0.542 2.999 509 2HD1 ILE 56 2HD1 ILE 56 10.154 -0.365 1.611 510 3HD1 ILE 56 3HD1 ILE 56 10.029 1.395 1.527 511 H LEU 57 H LEU 57 6.425 -3.420 -0.378 512 HA LEU 57 HA LEU 57 7.847 -5.638 0.484 513 1HB LEU 57 1HB LEU 57 5.566 -5.866 0.555 514 2HB LEU 57 2HB LEU 57 5.322 -5.169 -1.034 515 HG LEU 57 HG LEU 57 6.046 -7.202 -2.109 516 1HD1 LEU 57 1HD1 LEU 57 6.429 -8.523 0.582 517 2HD1 LEU 57 2HD1 LEU 57 6.912 -9.093 -1.031 518 3HD1 LEU 57 3HD1 LEU 57 7.762 -7.736 -0.289 519 1HD2 LEU 57 1HD2 LEU 57 3.709 -7.097 -1.503 520 2HD2 LEU 57 2HD2 LEU 57 4.299 -8.764 -1.308 521 3HD2 LEU 57 3HD2 LEU 57 4.062 -7.734 0.124 522 H ARG 58 H ARG 58 7.141 -4.517 -2.902 523 HA ARG 58 HA ARG 58 8.440 -6.521 -4.174 524 1HB ARG 58 1HB ARG 58 7.392 -3.915 -4.822 525 2HB ARG 58 2HB ARG 58 8.978 -4.030 -5.557 526 1HG ARG 58 1HG ARG 58 6.748 -6.154 -5.875 527 2HG ARG 58 2HG ARG 58 7.076 -4.914 -7.044 528 1HD ARG 58 1HD ARG 58 9.592 -6.009 -6.705 529 2HD ARG 58 2HD ARG 58 8.576 -7.406 -6.390 530 HE ARG 58 HE ARG 58 8.948 -6.059 -8.951 531 1HH1 ARG 58 2HH2 ARG 58 6.703 -8.011 -7.050 532 2HH1 ARG 58 1HH2 ARG 58 5.893 -8.644 -8.433 533 1HH2 ARG 58 2HH1 ARG 58 7.861 -6.892 -10.776 534 2HH2 ARG 58 1HH1 ARG 58 6.548 -8.005 -10.580 535 H GLU 59 H GLU 59 9.722 -3.584 -2.644 536 HA GLU 59 HA GLU 59 12.287 -3.682 -3.719 537 1HB GLU 59 1HB GLU 59 11.470 -2.631 -0.985 538 2HB GLU 59 2HB GLU 59 12.930 -2.212 -1.856 539 1HG GLU 59 1HG GLU 59 10.720 -1.766 -3.648 540 2HG GLU 59 2HG GLU 59 10.307 -1.033 -2.108 541 H ARG 60 H ARG 60 10.784 -5.356 -0.955 542 HA ARG 60 HA ARG 60 13.332 -6.492 -0.284 543 1HB ARG 60 1HB ARG 60 12.014 -7.546 1.627 544 2HB ARG 60 2HB ARG 60 12.171 -5.799 1.641 545 1HG ARG 60 1HG ARG 60 9.932 -5.526 0.716 546 2HG ARG 60 2HG ARG 60 9.776 -7.252 0.431 547 1HD ARG 60 1HD ARG 60 8.733 -6.092 2.613 548 2HD ARG 60 2HD ARG 60 9.346 -7.734 2.650 549 HE ARG 60 HE ARG 60 11.021 -7.013 4.092 550 1HH1 ARG 60 2HH2 ARG 60 9.865 -4.244 2.252 551 2HH1 ARG 60 1HH2 ARG 60 10.850 -3.099 3.098 552 1HH2 ARG 60 2HH1 ARG 60 12.329 -5.503 5.212 553 2HH2 ARG 60 1HH1 ARG 60 12.265 -3.824 4.799 554 H GLU 61 H GLU 61 10.973 -7.066 -2.522 555 HA GLU 61 HA GLU 61 10.504 -9.823 -2.058 556 1HB GLU 61 1HB GLU 61 9.889 -7.839 -4.250 557 2HB GLU 61 2HB GLU 61 9.777 -9.540 -4.639 558 1HG GLU 61 1HG GLU 61 8.420 -9.532 -2.276 559 2HG GLU 61 2HG GLU 61 8.080 -7.899 -2.805 560 H LEU 62 H LEU 62 12.559 -7.936 -4.376 561 HA LEU 62 HA LEU 62 13.804 -10.415 -5.231 562 1HB LEU 62 1HB LEU 62 14.783 -7.776 -6.170 563 2HB LEU 62 2HB LEU 62 14.544 -9.277 -7.041 564 HG LEU 62 HG LEU 62 12.898 -8.033 -7.991 565 1HD1 LEU 62 1HD1 LEU 62 11.031 -9.158 -7.499 566 2HD1 LEU 62 2HD1 LEU 62 11.963 -9.917 -6.194 567 3HD1 LEU 62 3HD1 LEU 62 10.964 -8.486 -5.862 568 1HD2 LEU 62 1HD2 LEU 62 12.953 -5.938 -7.184 569 2HD2 LEU 62 2HD2 LEU 62 11.480 -6.447 -6.354 570 3HD2 LEU 62 3HD2 LEU 62 13.031 -6.456 -5.480 571 H GLY 63 H GLY 63 14.928 -7.209 -3.940 572 1HA GLY 63 1HA GLY 63 16.336 -7.952 -1.790 573 2HA GLY 63 2HA GLY 63 17.426 -8.423 -3.082 574 H ILE 64 H ILE 64 15.130 -5.623 -2.907 575 HA ILE 64 HA ILE 64 17.334 -3.887 -3.640 576 HB ILE 64 HB ILE 64 14.340 -3.559 -3.508 577 1HG1 ILE 64 1HG1 ILE 64 15.396 -4.818 -5.418 578 2HG1 ILE 64 2HG1 ILE 64 14.429 -3.430 -5.870 579 1HG2 ILE 64 1HG2 ILE 64 16.472 -1.469 -3.799 580 2HG2 ILE 64 2HG2 ILE 64 14.891 -1.279 -4.598 581 3HG2 ILE 64 3HG2 ILE 64 14.981 -1.446 -2.829 582 1HD1 ILE 64 1HD1 ILE 64 16.597 -3.537 -7.101 583 2HD1 ILE 64 2HD1 ILE 64 16.428 -2.042 -6.160 584 3HD1 ILE 64 3HD1 ILE 64 17.462 -3.362 -5.562 585 H ARG 65 H ARG 65 15.770 -5.062 -0.822 586 HA ARG 65 HA ARG 65 17.065 -2.936 0.659 587 1HB ARG 65 1HB ARG 65 14.259 -3.986 1.286 588 2HB ARG 65 2HB ARG 65 15.128 -2.787 2.221 589 1HG ARG 65 1HG ARG 65 14.697 -2.284 -0.727 590 2HG ARG 65 2HG ARG 65 13.354 -2.048 0.371 591 1HD ARG 65 1HD ARG 65 16.075 -0.796 0.911 592 2HD ARG 65 2HD ARG 65 14.890 -0.025 -0.126 593 HE ARG 65 HE ARG 65 13.508 -0.699 2.216 594 1HH1 ARG 65 2HH2 ARG 65 16.268 1.317 1.352 595 2HH1 ARG 65 1HH2 ARG 65 16.017 2.443 2.647 596 1HH2 ARG 65 2HH1 ARG 65 13.173 0.778 3.929 597 2HH2 ARG 65 1HH1 ARG 65 14.233 2.137 4.127 598 H ARG 66 H ARG 66 17.937 -5.640 0.048 599 HA ARG 66 HA ARG 66 18.472 -7.563 0.959 600 1HB ARG 66 1HB ARG 66 19.712 -5.534 2.298 601 2HB ARG 66 2HB ARG 66 18.903 -6.317 3.645 602 1HG ARG 66 1HG ARG 66 19.960 -8.479 3.068 603 2HG ARG 66 2HG ARG 66 20.698 -7.772 1.642 604 1HD ARG 66 1HD ARG 66 22.101 -6.302 2.994 605 2HD ARG 66 2HD ARG 66 21.231 -6.717 4.459 606 HE ARG 66 HE ARG 66 23.362 -8.231 3.273 607 1HH1 ARG 66 2HH2 ARG 66 20.516 -8.475 5.261 608 2HH1 ARG 66 1HH2 ARG 66 21.026 -9.929 6.032 609 1HH2 ARG 66 2HH1 ARG 66 23.992 -10.236 4.166 610 2HH2 ARG 66 1HH1 ARG 66 23.006 -10.970 5.385
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