HEADER 17-NOV-21 XXXX EXPDTA THEORETICAL MODEL REMARK 220 REMARK 220 EXPERIMENTAL DETAILS REMARK 220 EXPERIMENT TYPE : THEORETICAL MODELLING REMARK 220 DATE OF DATA COLLECTION : 17-NOV-21 REMARK 220 REMARK 220 REMARK: MODEL GENERATED BY ROSETTA REMARK 220 VERSION 2021.16+release.8ee4f02ac57 ATOM 1 N MET A 1 -0.461 28.010 25.676 1.00 0.00 N ATOM 2 CA MET A 1 0.032 28.263 24.343 1.00 0.00 C ATOM 3 C MET A 1 -0.355 27.139 23.373 1.00 0.00 C ATOM 4 O MET A 1 -0.356 26.002 23.804 1.00 0.00 O ATOM 5 CB MET A 1 1.548 28.445 24.381 1.00 0.00 C ATOM 6 CG MET A 1 2.173 28.799 23.040 1.00 0.00 C ATOM 7 SD MET A 1 3.935 29.164 23.169 1.00 0.00 S ATOM 8 CE MET A 1 3.895 30.714 24.064 1.00 0.00 C ATOM 9 1H MET A 1 -0.191 28.760 26.280 1.00 0.00 H ATOM 10 2H MET A 1 -1.458 27.942 25.656 1.00 0.00 H ATOM 11 3H MET A 1 -0.075 27.153 26.018 1.00 0.00 H ATOM 12 HA MET A 1 -0.433 29.175 23.970 1.00 0.00 H ATOM 13 1HB MET A 1 1.801 29.234 25.087 1.00 0.00 H ATOM 14 2HB MET A 1 2.016 27.525 24.736 1.00 0.00 H ATOM 15 1HG MET A 1 2.043 27.968 22.347 1.00 0.00 H ATOM 16 2HG MET A 1 1.670 29.672 22.623 1.00 0.00 H ATOM 17 1HE MET A 1 4.913 31.070 24.222 1.00 0.00 H ATOM 18 2HE MET A 1 3.336 31.453 23.488 1.00 0.00 H ATOM 19 3HE MET A 1 3.409 30.565 25.029 1.00 0.00 H ATOM 20 N GLN A 2 -0.611 27.514 22.154 1.00 0.00 N ATOM 21 CA GLN A 2 -1.019 26.488 21.156 1.00 0.00 C ATOM 22 C GLN A 2 0.236 25.811 20.605 1.00 0.00 C ATOM 23 O GLN A 2 1.205 26.438 20.300 1.00 0.00 O ATOM 24 CB GLN A 2 -1.773 27.068 20.028 1.00 0.00 C ATOM 25 CG GLN A 2 -2.991 27.889 20.066 1.00 0.00 C ATOM 26 CD GLN A 2 -3.745 27.734 18.742 1.00 0.00 C ATOM 27 OE1 GLN A 2 -3.239 28.067 17.667 1.00 0.00 O ATOM 28 NE2 GLN A 2 -4.937 27.178 18.832 1.00 0.00 N ATOM 29 H GLN A 2 -0.542 28.480 21.866 1.00 0.00 H ATOM 30 HA GLN A 2 -1.667 25.763 21.649 1.00 0.00 H ATOM 31 1HB GLN A 2 -1.120 27.725 19.453 1.00 0.00 H ATOM 32 2HB GLN A 2 -2.103 26.271 19.362 1.00 0.00 H ATOM 33 1HG GLN A 2 -3.619 27.551 20.892 1.00 0.00 H ATOM 34 2HG GLN A 2 -2.710 28.932 20.213 1.00 0.00 H ATOM 35 1HE2 GLN A 2 -5.490 27.044 18.009 1.00 0.00 H ATOM 36 2HE2 GLN A 2 -5.289 26.891 19.723 1.00 0.00 H ATOM 37 N TYR A 3 0.183 24.487 20.499 1.00 0.00 N ATOM 38 CA TYR A 3 1.154 23.649 19.854 1.00 0.00 C ATOM 39 C TYR A 3 0.446 22.832 18.778 1.00 0.00 C ATOM 40 O TYR A 3 -0.708 22.437 18.956 1.00 0.00 O ATOM 41 CB TYR A 3 1.841 22.685 20.843 1.00 0.00 C ATOM 42 CG TYR A 3 2.683 23.471 21.849 1.00 0.00 C ATOM 43 CD1 TYR A 3 4.022 23.722 21.685 1.00 0.00 C ATOM 44 CD2 TYR A 3 2.044 23.997 22.995 1.00 0.00 C ATOM 45 CE1 TYR A 3 4.775 24.447 22.608 1.00 0.00 C ATOM 46 CE2 TYR A 3 2.765 24.748 23.927 1.00 0.00 C ATOM 47 CZ TYR A 3 4.105 24.952 23.715 1.00 0.00 C ATOM 48 OH TYR A 3 4.820 25.714 24.647 1.00 0.00 O ATOM 49 H TYR A 3 -0.629 24.062 20.923 1.00 0.00 H ATOM 50 HA TYR A 3 1.925 24.285 19.418 1.00 0.00 H ATOM 51 1HB TYR A 3 1.083 22.099 21.367 1.00 0.00 H ATOM 52 2HB TYR A 3 2.471 21.987 20.293 1.00 0.00 H ATOM 53 HD1 TYR A 3 4.543 23.349 20.802 1.00 0.00 H ATOM 54 HD2 TYR A 3 0.981 23.818 23.156 1.00 0.00 H ATOM 55 HE1 TYR A 3 5.836 24.619 22.431 1.00 0.00 H ATOM 56 HE2 TYR A 3 2.263 25.158 24.804 1.00 0.00 H ATOM 57 HH TYR A 3 4.223 26.019 25.334 1.00 0.00 H ATOM 58 N LYS A 4 1.126 22.563 17.709 1.00 0.00 N ATOM 59 CA LYS A 4 0.566 21.838 16.583 1.00 0.00 C ATOM 60 C LYS A 4 1.318 20.549 16.311 1.00 0.00 C ATOM 61 O LYS A 4 2.561 20.513 16.479 1.00 0.00 O ATOM 62 CB LYS A 4 0.658 22.693 15.349 1.00 0.00 C ATOM 63 CG LYS A 4 0.073 22.056 14.084 1.00 0.00 C ATOM 64 CD LYS A 4 0.118 23.145 13.011 1.00 0.00 C ATOM 65 CE LYS A 4 -0.417 22.623 11.705 1.00 0.00 C ATOM 66 NZ LYS A 4 -0.418 23.654 10.614 1.00 0.00 N ATOM 67 H LYS A 4 2.086 22.874 17.666 1.00 0.00 H ATOM 68 HA LYS A 4 -0.482 21.625 16.796 1.00 0.00 H ATOM 69 1HB LYS A 4 0.135 23.635 15.519 1.00 0.00 H ATOM 70 2HB LYS A 4 1.703 22.931 15.148 1.00 0.00 H ATOM 71 1HG LYS A 4 0.670 21.187 13.804 1.00 0.00 H ATOM 72 2HG LYS A 4 -0.946 21.725 14.282 1.00 0.00 H ATOM 73 1HD LYS A 4 -0.481 23.998 13.332 1.00 0.00 H ATOM 74 2HD LYS A 4 1.147 23.477 12.872 1.00 0.00 H ATOM 75 1HE LYS A 4 0.188 21.780 11.376 1.00 0.00 H ATOM 76 2HE LYS A 4 -1.440 22.275 11.844 1.00 0.00 H ATOM 77 1HZ LYS A 4 -0.786 23.247 9.766 1.00 0.00 H ATOM 78 2HZ LYS A 4 -0.995 24.437 10.890 1.00 0.00 H ATOM 79 3HZ LYS A 4 0.526 23.974 10.451 1.00 0.00 H ATOM 80 N LEU A 5 0.601 19.509 15.922 1.00 0.00 N ATOM 81 CA LEU A 5 1.156 18.235 15.489 1.00 0.00 C ATOM 82 C LEU A 5 0.782 17.983 14.059 1.00 0.00 C ATOM 83 O LEU A 5 -0.407 18.025 13.702 1.00 0.00 O ATOM 84 CB LEU A 5 0.647 17.087 16.370 1.00 0.00 C ATOM 85 CG LEU A 5 1.088 15.679 15.949 1.00 0.00 C ATOM 86 CD1 LEU A 5 2.595 15.545 16.124 1.00 0.00 C ATOM 87 CD2 LEU A 5 0.346 14.644 16.781 1.00 0.00 C ATOM 88 H LEU A 5 -0.402 19.630 15.935 1.00 0.00 H ATOM 89 HA LEU A 5 2.242 18.285 15.572 1.00 0.00 H ATOM 90 1HB LEU A 5 0.993 17.251 17.389 1.00 0.00 H ATOM 91 2HB LEU A 5 -0.443 17.107 16.371 1.00 0.00 H ATOM 92 HG LEU A 5 0.861 15.527 14.893 1.00 0.00 H ATOM 93 1HD1 LEU A 5 2.908 14.545 15.825 1.00 0.00 H ATOM 94 2HD1 LEU A 5 3.101 16.284 15.503 1.00 0.00 H ATOM 95 3HD1 LEU A 5 2.855 15.709 17.169 1.00 0.00 H ATOM 96 1HD2 LEU A 5 0.659 13.644 16.481 1.00 0.00 H ATOM 97 2HD2 LEU A 5 0.574 14.795 17.837 1.00 0.00 H ATOM 98 3HD2 LEU A 5 -0.727 14.752 16.623 1.00 0.00 H ATOM 99 N ILE A 6 1.781 17.687 13.248 1.00 0.00 N ATOM 100 CA ILE A 6 1.586 17.275 11.850 1.00 0.00 C ATOM 101 C ILE A 6 1.755 15.767 11.793 1.00 0.00 C ATOM 102 O ILE A 6 2.821 15.213 12.145 1.00 0.00 O ATOM 103 CB ILE A 6 2.584 17.959 10.898 1.00 0.00 C ATOM 104 CG1 ILE A 6 2.426 19.481 10.961 1.00 0.00 C ATOM 105 CG2 ILE A 6 2.389 17.459 9.475 1.00 0.00 C ATOM 106 CD1 ILE A 6 3.492 20.238 10.203 1.00 0.00 C ATOM 107 H ILE A 6 2.720 17.751 13.616 1.00 0.00 H ATOM 108 HA ILE A 6 0.583 17.566 11.541 1.00 0.00 H ATOM 109 HB ILE A 6 3.602 17.735 11.216 1.00 0.00 H ATOM 110 1HG1 ILE A 6 1.454 19.762 10.557 1.00 0.00 H ATOM 111 2HG1 ILE A 6 2.453 19.806 12.002 1.00 0.00 H ATOM 112 1HG2 ILE A 6 3.102 17.953 8.815 1.00 0.00 H ATOM 113 2HG2 ILE A 6 2.551 16.383 9.442 1.00 0.00 H ATOM 114 3HG2 ILE A 6 1.375 17.684 9.146 1.00 0.00 H ATOM 115 1HD1 ILE A 6 3.313 21.309 10.295 1.00 0.00 H ATOM 116 2HD1 ILE A 6 4.473 19.997 10.616 1.00 0.00 H ATOM 117 3HD1 ILE A 6 3.461 19.954 9.152 1.00 0.00 H ATOM 118 N LEU A 7 0.698 15.097 11.350 1.00 0.00 N ATOM 119 CA LEU A 7 0.602 13.650 11.268 1.00 0.00 C ATOM 120 C LEU A 7 0.906 13.154 9.860 1.00 0.00 C ATOM 121 O LEU A 7 0.228 13.562 8.929 1.00 0.00 O ATOM 122 CB LEU A 7 -0.800 13.190 11.688 1.00 0.00 C ATOM 123 CG LEU A 7 -1.199 13.511 13.135 1.00 0.00 C ATOM 124 CD1 LEU A 7 -2.716 13.496 13.258 1.00 0.00 C ATOM 125 CD2 LEU A 7 -0.564 12.496 14.073 1.00 0.00 C ATOM 126 H LEU A 7 -0.086 15.660 11.053 1.00 0.00 H ATOM 127 HA LEU A 7 1.321 13.216 11.962 1.00 0.00 H ATOM 128 1HB LEU A 7 -1.531 13.659 11.032 1.00 0.00 H ATOM 129 2HB LEU A 7 -0.865 12.110 11.558 1.00 0.00 H ATOM 130 HG LEU A 7 -0.853 14.512 13.394 1.00 0.00 H ATOM 131 1HD1 LEU A 7 -3.000 13.724 14.286 1.00 0.00 H ATOM 132 2HD1 LEU A 7 -3.143 14.245 12.590 1.00 0.00 H ATOM 133 3HD1 LEU A 7 -3.094 12.511 12.988 1.00 0.00 H ATOM 134 1HD2 LEU A 7 -0.847 12.724 15.101 1.00 0.00 H ATOM 135 2HD2 LEU A 7 -0.910 11.495 13.815 1.00 0.00 H ATOM 136 3HD2 LEU A 7 0.521 12.541 13.977 1.00 0.00 H ATOM 137 N ASN A 8 1.866 12.280 9.758 1.00 0.00 N ATOM 138 CA ASN A 8 2.220 11.683 8.468 1.00 0.00 C ATOM 139 C ASN A 8 2.509 10.212 8.715 1.00 0.00 C ATOM 140 O ASN A 8 3.591 9.677 8.451 1.00 0.00 O ATOM 141 CB ASN A 8 3.344 12.415 7.811 1.00 0.00 C ATOM 142 CG ASN A 8 3.589 11.987 6.387 1.00 0.00 C ATOM 143 OD1 ASN A 8 2.714 11.399 5.745 1.00 0.00 O ATOM 144 ND2 ASN A 8 4.773 12.312 5.867 1.00 0.00 N ATOM 145 H ASN A 8 2.379 12.007 10.584 1.00 0.00 H ATOM 146 HA ASN A 8 1.351 11.737 7.811 1.00 0.00 H ATOM 147 1HB ASN A 8 3.134 13.486 7.816 1.00 0.00 H ATOM 148 2HB ASN A 8 4.262 12.259 8.379 1.00 0.00 H ATOM 149 1HD2 ASN A 8 4.993 12.055 4.925 1.00 0.00 H ATOM 150 2HD2 ASN A 8 5.440 12.813 6.417 1.00 0.00 H ATOM 151 N GLY A 9 1.550 9.521 9.252 1.00 0.00 N ATOM 152 CA GLY A 9 1.641 8.092 9.447 1.00 0.00 C ATOM 153 C GLY A 9 1.279 7.339 8.181 1.00 0.00 C ATOM 154 O GLY A 9 0.923 7.898 7.175 1.00 0.00 O ATOM 155 H GLY A 9 0.713 10.005 9.544 1.00 0.00 H ATOM 156 1HA GLY A 9 2.655 7.830 9.752 1.00 0.00 H ATOM 157 2HA GLY A 9 0.975 7.792 10.255 1.00 0.00 H ATOM 158 N LYS A 10 1.346 5.990 8.307 1.00 0.00 N ATOM 159 CA LYS A 10 0.974 5.145 7.183 1.00 0.00 C ATOM 160 C LYS A 10 -0.476 5.324 6.792 1.00 0.00 C ATOM 161 O LYS A 10 -0.762 5.293 5.588 1.00 0.00 O ATOM 162 CB LYS A 10 1.296 3.686 7.550 1.00 0.00 C ATOM 163 CG LYS A 10 2.797 3.403 7.687 1.00 0.00 C ATOM 164 CD LYS A 10 3.060 1.908 7.806 1.00 0.00 C ATOM 165 CE LYS A 10 4.474 1.612 8.284 1.00 0.00 C ATOM 166 NZ LYS A 10 4.629 1.693 9.772 1.00 0.00 N ATOM 167 H LYS A 10 1.649 5.558 9.168 1.00 0.00 H ATOM 168 HA LYS A 10 1.563 5.444 6.315 1.00 0.00 H ATOM 169 1HB LYS A 10 0.813 3.434 8.494 1.00 0.00 H ATOM 170 2HB LYS A 10 0.891 3.021 6.787 1.00 0.00 H ATOM 171 1HG LYS A 10 3.322 3.791 6.813 1.00 0.00 H ATOM 172 2HG LYS A 10 3.183 3.907 8.573 1.00 0.00 H ATOM 173 1HD LYS A 10 2.355 1.469 8.513 1.00 0.00 H ATOM 174 2HD LYS A 10 2.916 1.434 6.835 1.00 0.00 H ATOM 175 1HE LYS A 10 4.763 0.611 7.969 1.00 0.00 H ATOM 176 2HE LYS A 10 5.167 2.324 7.835 1.00 0.00 H ATOM 177 1HZ LYS A 10 5.586 1.488 10.023 1.00 0.00 H ATOM 178 2HZ LYS A 10 4.390 2.623 10.086 1.00 0.00 H ATOM 179 3HZ LYS A 10 4.015 1.022 10.211 1.00 0.00 H ATOM 180 N THR A 11 -1.318 5.532 7.821 1.00 0.00 N ATOM 181 CA THR A 11 -2.728 5.753 7.444 1.00 0.00 C ATOM 182 C THR A 11 -3.328 6.968 8.092 1.00 0.00 C ATOM 183 O THR A 11 -4.351 7.437 7.534 1.00 0.00 O ATOM 184 CB THR A 11 -3.299 4.375 7.807 1.00 0.00 C ATOM 185 OG1 THR A 11 -4.543 4.186 7.169 1.00 0.00 O ATOM 186 CG2 THR A 11 -3.294 4.253 9.299 1.00 0.00 C ATOM 187 H THR A 11 -1.063 5.547 8.798 1.00 0.00 H ATOM 188 HA THR A 11 -2.769 5.978 6.378 1.00 0.00 H ATOM 189 HB THR A 11 -2.682 3.596 7.359 1.00 0.00 H ATOM 190 HG1 THR A 11 -4.608 4.776 6.414 1.00 0.00 H ATOM 191 1HG2 THR A 11 -3.695 3.281 9.586 1.00 0.00 H ATOM 192 2HG2 THR A 11 -2.273 4.348 9.668 1.00 0.00 H ATOM 193 3HG2 THR A 11 -3.910 5.041 9.730 1.00 0.00 H ATOM 194 N LEU A 12 -2.791 7.496 9.201 1.00 0.00 N ATOM 195 CA LEU A 12 -3.367 8.648 9.893 1.00 0.00 C ATOM 196 C LEU A 12 -2.597 9.879 9.503 1.00 0.00 C ATOM 197 O LEU A 12 -1.412 10.062 9.904 1.00 0.00 O ATOM 198 CB LEU A 12 -3.391 8.411 11.401 1.00 0.00 C ATOM 199 CG LEU A 12 -4.324 9.088 12.400 1.00 0.00 C ATOM 200 CD1 LEU A 12 -3.687 9.221 13.809 1.00 0.00 C ATOM 201 CD2 LEU A 12 -4.879 10.452 11.978 1.00 0.00 C ATOM 202 H LEU A 12 -1.951 7.072 9.568 1.00 0.00 H ATOM 203 HA LEU A 12 -4.391 8.783 9.546 1.00 0.00 H ATOM 204 1HB LEU A 12 -3.587 7.356 11.584 1.00 0.00 H ATOM 205 2HB LEU A 12 -2.409 8.653 11.807 1.00 0.00 H ATOM 206 HG LEU A 12 -5.191 8.450 12.578 1.00 0.00 H ATOM 207 1HD1 LEU A 12 -4.392 9.709 14.482 1.00 0.00 H ATOM 208 2HD1 LEU A 12 -3.445 8.230 14.194 1.00 0.00 H ATOM 209 3HD1 LEU A 12 -2.778 9.817 13.742 1.00 0.00 H ATOM 210 1HD2 LEU A 12 -5.530 10.839 12.763 1.00 0.00 H ATOM 211 2HD2 LEU A 12 -4.053 11.146 11.817 1.00 0.00 H ATOM 212 3HD2 LEU A 12 -5.448 10.344 11.055 1.00 0.00 H ATOM 213 N LYS A 13 -3.208 10.763 8.720 1.00 0.00 N ATOM 214 CA LYS A 13 -2.586 11.977 8.248 1.00 0.00 C ATOM 215 C LYS A 13 -3.458 13.185 8.610 1.00 0.00 C ATOM 216 O LYS A 13 -4.666 13.107 8.648 1.00 0.00 O ATOM 217 CB LYS A 13 -2.364 11.915 6.724 1.00 0.00 C ATOM 218 CG LYS A 13 -1.435 10.712 6.328 1.00 0.00 C ATOM 219 CD LYS A 13 -1.187 10.762 4.819 1.00 0.00 C ATOM 220 CE LYS A 13 -0.489 9.518 4.311 1.00 0.00 C ATOM 221 NZ LYS A 13 0.833 9.181 4.814 1.00 0.00 N ATOM 222 H LYS A 13 -4.159 10.560 8.448 1.00 0.00 H ATOM 223 HA LYS A 13 -1.617 12.082 8.737 1.00 0.00 H ATOM 224 1HB LYS A 13 -3.325 11.813 6.219 1.00 0.00 H ATOM 225 2HB LYS A 13 -1.913 12.848 6.384 1.00 0.00 H ATOM 226 1HG LYS A 13 -0.492 10.786 6.870 1.00 0.00 H ATOM 227 2HG LYS A 13 -1.918 9.774 6.602 1.00 0.00 H ATOM 228 1HD LYS A 13 -2.139 10.863 4.296 1.00 0.00 H ATOM 229 2HD LYS A 13 -0.567 11.627 4.580 1.00 0.00 H ATOM 230 1HE LYS A 13 -1.100 8.644 4.529 1.00 0.00 H ATOM 231 2HE LYS A 13 -0.364 9.587 3.230 1.00 0.00 H ATOM 232 1HZ LYS A 13 1.154 8.329 4.376 1.00 0.00 H ATOM 233 2HZ LYS A 13 1.476 9.931 4.601 1.00 0.00 H ATOM 234 3HZ LYS A 13 0.790 9.049 5.814 1.00 0.00 H ATOM 235 N GLY A 14 -2.819 14.335 8.779 1.00 0.00 N ATOM 236 CA GLY A 14 -3.511 15.600 9.008 1.00 0.00 C ATOM 237 C GLY A 14 -2.834 16.405 10.081 1.00 0.00 C ATOM 238 O GLY A 14 -1.588 16.293 10.299 1.00 0.00 O ATOM 239 H GLY A 14 -1.809 14.326 8.745 1.00 0.00 H ATOM 240 1HA GLY A 14 -3.539 16.173 8.081 1.00 0.00 H ATOM 241 2HA GLY A 14 -4.543 15.402 9.294 1.00 0.00 H ATOM 242 N GLU A 15 -3.602 17.261 10.770 1.00 0.00 N ATOM 243 CA GLU A 15 -3.063 18.143 11.757 1.00 0.00 C ATOM 244 C GLU A 15 -3.925 18.217 12.968 1.00 0.00 C ATOM 245 O GLU A 15 -5.174 18.192 12.844 1.00 0.00 O ATOM 246 CB GLU A 15 -3.064 19.581 11.223 1.00 0.00 C ATOM 247 CG GLU A 15 -2.207 19.815 10.029 1.00 0.00 C ATOM 248 CD GLU A 15 -2.314 21.201 9.480 1.00 0.00 C ATOM 249 OE1 GLU A 15 -3.318 21.890 9.759 1.00 0.00 O ATOM 250 OE2 GLU A 15 -1.329 21.563 8.811 1.00 0.00 O ATOM 251 H GLU A 15 -4.594 17.280 10.582 1.00 0.00 H ATOM 252 HA GLU A 15 -2.036 17.843 11.966 1.00 0.00 H ATOM 253 1HB GLU A 15 -4.080 19.870 10.956 1.00 0.00 H ATOM 254 2HB GLU A 15 -2.725 20.260 12.005 1.00 0.00 H ATOM 255 1HG GLU A 15 -1.168 19.629 10.298 1.00 0.00 H ATOM 256 2HG GLU A 15 -2.485 19.105 9.250 1.00 0.00 H ATOM 257 N THR A 16 -3.296 18.348 14.117 1.00 0.00 N ATOM 258 CA THR A 16 -4.064 18.522 15.348 1.00 0.00 C ATOM 259 C THR A 16 -3.327 19.518 16.213 1.00 0.00 C ATOM 260 O THR A 16 -2.107 19.567 16.221 1.00 0.00 O ATOM 261 CB THR A 16 -4.260 17.197 16.107 1.00 0.00 C ATOM 262 OG1 THR A 16 -4.876 16.234 15.241 1.00 0.00 O ATOM 263 CG2 THR A 16 -5.137 17.407 17.331 1.00 0.00 C ATOM 264 H THR A 16 -2.287 18.332 14.165 1.00 0.00 H ATOM 265 HA THR A 16 -5.055 18.894 15.087 1.00 0.00 H ATOM 266 HB THR A 16 -3.290 16.812 16.423 1.00 0.00 H ATOM 267 HG1 THR A 16 -5.317 16.689 14.520 1.00 0.00 H ATOM 268 1HG2 THR A 16 -5.264 16.460 17.855 1.00 0.00 H ATOM 269 2HG2 THR A 16 -4.665 18.130 17.996 1.00 0.00 H ATOM 270 3HG2 THR A 16 -6.111 17.783 17.020 1.00 0.00 H ATOM 271 N THR A 17 -4.069 20.329 16.959 1.00 0.00 N ATOM 272 CA THR A 17 -3.469 21.270 17.885 1.00 0.00 C ATOM 273 C THR A 17 -3.876 20.965 19.308 1.00 0.00 C ATOM 274 O THR A 17 -4.895 20.294 19.573 1.00 0.00 O ATOM 275 CB THR A 17 -3.894 22.718 17.558 1.00 0.00 C ATOM 276 OG1 THR A 17 -5.301 22.759 17.744 1.00 0.00 O ATOM 277 CG2 THR A 17 -3.435 23.061 16.175 1.00 0.00 C ATOM 278 H THR A 17 -5.076 20.291 16.879 1.00 0.00 H ATOM 279 HA THR A 17 -2.385 21.201 17.793 1.00 0.00 H ATOM 280 HB THR A 17 -3.444 23.400 18.279 1.00 0.00 H ATOM 281 HG1 THR A 17 -5.497 22.904 18.673 1.00 0.00 H ATOM 282 1HG2 THR A 17 -3.731 24.082 15.937 1.00 0.00 H ATOM 283 2HG2 THR A 17 -2.350 22.975 16.120 1.00 0.00 H ATOM 284 3HG2 THR A 17 -3.890 22.376 15.461 1.00 0.00 H ATOM 285 N THR A 18 -3.098 21.474 20.253 1.00 0.00 N ATOM 286 CA THR A 18 -3.457 21.362 21.676 1.00 0.00 C ATOM 287 C THR A 18 -2.966 22.592 22.396 1.00 0.00 C ATOM 288 O THR A 18 -2.026 23.237 21.994 1.00 0.00 O ATOM 289 CB THR A 18 -2.860 20.101 22.330 1.00 0.00 C ATOM 290 OG1 THR A 18 -3.493 19.871 23.595 1.00 0.00 O ATOM 291 CG2 THR A 18 -1.363 20.267 22.539 1.00 0.00 C ATOM 292 H THR A 18 -2.244 21.948 19.997 1.00 0.00 H ATOM 293 HA THR A 18 -4.544 21.348 21.759 1.00 0.00 H ATOM 294 HB THR A 18 -3.038 19.239 21.687 1.00 0.00 H ATOM 295 HG1 THR A 18 -3.203 20.536 24.223 1.00 0.00 H ATOM 296 1HG2 THR A 18 -0.958 19.367 23.002 1.00 0.00 H ATOM 297 2HG2 THR A 18 -0.877 20.431 21.578 1.00 0.00 H ATOM 298 3HG2 THR A 18 -1.179 21.122 23.189 1.00 0.00 H ATOM 299 N GLU A 19 -3.652 22.926 23.473 1.00 0.00 N ATOM 300 CA GLU A 19 -3.269 23.999 24.376 1.00 0.00 C ATOM 301 C GLU A 19 -2.453 23.409 25.510 1.00 0.00 C ATOM 302 O GLU A 19 -2.877 22.468 26.171 1.00 0.00 O ATOM 303 CB GLU A 19 -4.490 24.724 24.905 1.00 0.00 C ATOM 304 CG GLU A 19 -5.472 25.199 23.860 1.00 0.00 C ATOM 305 CD GLU A 19 -4.825 26.253 22.963 1.00 0.00 C ATOM 306 OE1 GLU A 19 -4.099 27.071 23.574 1.00 0.00 O ATOM 307 OE2 GLU A 19 -5.125 26.117 21.754 1.00 0.00 O ATOM 308 H GLU A 19 -4.488 22.395 23.667 1.00 0.00 H ATOM 309 HA GLU A 19 -2.656 24.713 23.825 1.00 0.00 H ATOM 310 1HB GLU A 19 -5.035 24.069 25.585 1.00 0.00 H ATOM 311 2HB GLU A 19 -4.176 25.599 25.474 1.00 0.00 H ATOM 312 1HG GLU A 19 -5.793 24.345 23.263 1.00 0.00 H ATOM 313 2HG GLU A 19 -6.349 25.608 24.359 1.00 0.00 H ATOM 314 N ALA A 20 -1.262 23.955 25.768 1.00 0.00 N ATOM 315 CA ALA A 20 -0.407 23.417 26.822 1.00 0.00 C ATOM 316 C ALA A 20 0.385 24.539 27.492 1.00 0.00 C ATOM 317 O ALA A 20 0.615 25.591 26.959 1.00 0.00 O ATOM 318 CB ALA A 20 0.517 22.341 26.275 1.00 0.00 C ATOM 319 H ALA A 20 -0.942 24.749 25.233 1.00 0.00 H ATOM 320 HA ALA A 20 -1.048 22.972 27.583 1.00 0.00 H ATOM 321 1HB ALA A 20 1.143 21.956 27.080 1.00 0.00 H ATOM 322 2HB ALA A 20 -0.078 21.528 25.858 1.00 0.00 H ATOM 323 3HB ALA A 20 1.148 22.765 25.496 1.00 0.00 H ATOM 324 N VAL A 21 0.825 24.205 28.713 1.00 0.00 N ATOM 325 CA VAL A 21 1.625 25.200 29.448 1.00 0.00 C ATOM 326 C VAL A 21 3.017 25.296 28.898 1.00 0.00 C ATOM 327 O VAL A 21 3.659 26.356 29.077 1.00 0.00 O ATOM 328 CB VAL A 21 1.706 24.840 30.943 1.00 0.00 C ATOM 329 CG1 VAL A 21 0.326 24.897 31.581 1.00 0.00 C ATOM 330 CG2 VAL A 21 2.321 23.459 31.110 1.00 0.00 C ATOM 331 H VAL A 21 0.635 23.312 29.144 1.00 0.00 H ATOM 332 HA VAL A 21 1.135 26.170 29.360 1.00 0.00 H ATOM 333 HB VAL A 21 2.326 25.578 31.452 1.00 0.00 H ATOM 334 1HG1 VAL A 21 0.403 24.640 32.638 1.00 0.00 H ATOM 335 2HG1 VAL A 21 -0.079 25.903 31.481 1.00 0.00 H ATOM 336 3HG1 VAL A 21 -0.334 24.187 31.083 1.00 0.00 H ATOM 337 1HG2 VAL A 21 2.377 23.211 32.170 1.00 0.00 H ATOM 338 2HG2 VAL A 21 1.704 22.721 30.597 1.00 0.00 H ATOM 339 3HG2 VAL A 21 3.325 23.453 30.684 1.00 0.00 H ATOM 340 N ASP A 22 3.565 24.250 28.280 1.00 0.00 N ATOM 341 CA ASP A 22 4.921 24.246 27.719 1.00 0.00 C ATOM 342 C ASP A 22 5.015 23.142 26.682 1.00 0.00 C ATOM 343 O ASP A 22 4.104 22.352 26.500 1.00 0.00 O ATOM 344 CB ASP A 22 5.983 24.115 28.805 1.00 0.00 C ATOM 345 CG ASP A 22 5.820 22.928 29.708 1.00 0.00 C ATOM 346 OD1 ASP A 22 5.377 21.876 29.230 1.00 0.00 O ATOM 347 OD2 ASP A 22 6.043 23.038 30.969 1.00 0.00 O ATOM 348 H ASP A 22 2.998 23.418 28.202 1.00 0.00 H ATOM 349 HA ASP A 22 5.083 25.192 27.200 1.00 0.00 H ATOM 350 1HB ASP A 22 6.969 24.046 28.344 1.00 0.00 H ATOM 351 2HB ASP A 22 5.977 25.009 29.430 1.00 0.00 H ATOM 352 N ALA A 23 6.153 23.165 25.995 1.00 0.00 N ATOM 353 CA ALA A 23 6.370 22.207 24.890 1.00 0.00 C ATOM 354 C ALA A 23 6.457 20.793 25.442 1.00 0.00 C ATOM 355 O ALA A 23 5.926 19.828 24.860 1.00 0.00 O ATOM 356 CB ALA A 23 7.605 22.529 24.103 1.00 0.00 C ATOM 357 H ALA A 23 6.878 23.833 26.217 1.00 0.00 H ATOM 358 HA ALA A 23 5.514 22.266 24.218 1.00 0.00 H ATOM 359 1HB ALA A 23 7.726 21.800 23.301 1.00 0.00 H ATOM 360 2HB ALA A 23 7.514 23.527 23.674 1.00 0.00 H ATOM 361 3HB ALA A 23 8.474 22.494 24.758 1.00 0.00 H ATOM 362 N ALA A 24 7.057 20.604 26.620 1.00 0.00 N ATOM 363 CA ALA A 24 7.195 19.276 27.182 1.00 0.00 C ATOM 364 C ALA A 24 5.841 18.645 27.441 1.00 0.00 C ATOM 365 O ALA A 24 5.655 17.457 27.207 1.00 0.00 O ATOM 366 CB ALA A 24 7.991 19.318 28.478 1.00 0.00 C ATOM 367 H ALA A 24 7.422 21.395 27.131 1.00 0.00 H ATOM 368 HA ALA A 24 7.731 18.658 26.462 1.00 0.00 H ATOM 369 1HB ALA A 24 8.082 18.310 28.882 1.00 0.00 H ATOM 370 2HB ALA A 24 8.985 19.721 28.281 1.00 0.00 H ATOM 371 3HB ALA A 24 7.479 19.953 29.199 1.00 0.00 H ATOM 372 N THR A 25 4.917 19.474 27.930 1.00 0.00 N ATOM 373 CA THR A 25 3.580 18.974 28.152 1.00 0.00 C ATOM 374 C THR A 25 2.886 18.611 26.828 1.00 0.00 C ATOM 375 O THR A 25 2.275 17.535 26.721 1.00 0.00 O ATOM 376 CB THR A 25 2.791 20.006 28.979 1.00 0.00 C ATOM 377 OG1 THR A 25 3.475 20.180 30.231 1.00 0.00 O ATOM 378 CG2 THR A 25 1.409 19.507 29.256 1.00 0.00 C ATOM 379 H THR A 25 5.124 20.438 28.150 1.00 0.00 H ATOM 380 HA THR A 25 3.649 18.040 28.709 1.00 0.00 H ATOM 381 HB THR A 25 2.730 20.944 28.427 1.00 0.00 H ATOM 382 HG1 THR A 25 4.235 20.753 30.104 1.00 0.00 H ATOM 383 1HG2 THR A 25 0.865 20.249 29.841 1.00 0.00 H ATOM 384 2HG2 THR A 25 0.889 19.335 28.314 1.00 0.00 H ATOM 385 3HG2 THR A 25 1.465 18.574 29.816 1.00 0.00 H ATOM 386 N ALA A 26 3.018 19.513 25.859 1.00 0.00 N ATOM 387 CA ALA A 26 2.425 19.208 24.545 1.00 0.00 C ATOM 388 C ALA A 26 3.026 17.944 23.952 1.00 0.00 C ATOM 389 O ALA A 26 2.304 17.151 23.322 1.00 0.00 O ATOM 390 CB ALA A 26 2.632 20.406 23.623 1.00 0.00 C ATOM 391 H ALA A 26 3.503 20.390 25.989 1.00 0.00 H ATOM 392 HA ALA A 26 1.358 19.035 24.686 1.00 0.00 H ATOM 393 1HB ALA A 26 2.198 20.193 22.646 1.00 0.00 H ATOM 394 2HB ALA A 26 2.148 21.283 24.052 1.00 0.00 H ATOM 395 3HB ALA A 26 3.698 20.599 23.512 1.00 0.00 H ATOM 396 N GLU A 27 4.301 17.737 24.116 1.00 0.00 N ATOM 397 CA GLU A 27 4.956 16.528 23.623 1.00 0.00 C ATOM 398 C GLU A 27 4.299 15.285 24.198 1.00 0.00 C ATOM 399 O GLU A 27 4.019 14.327 23.441 1.00 0.00 O ATOM 400 CB GLU A 27 6.424 16.546 23.969 1.00 0.00 C ATOM 401 CG GLU A 27 7.149 15.299 23.467 1.00 0.00 C ATOM 402 CD GLU A 27 8.595 15.205 23.903 1.00 0.00 C ATOM 403 OE1 GLU A 27 9.109 16.083 24.640 1.00 0.00 O ATOM 404 OE2 GLU A 27 9.265 14.225 23.491 1.00 0.00 O ATOM 405 H GLU A 27 4.852 18.433 24.598 1.00 0.00 H ATOM 406 HA GLU A 27 4.854 16.497 22.538 1.00 0.00 H ATOM 407 1HB GLU A 27 6.890 17.429 23.532 1.00 0.00 H ATOM 408 2HB GLU A 27 6.542 16.614 25.050 1.00 0.00 H ATOM 409 1HG GLU A 27 6.626 14.415 23.831 1.00 0.00 H ATOM 410 2HG GLU A 27 7.114 15.285 22.378 1.00 0.00 H ATOM 411 N LYS A 28 4.065 15.257 25.461 1.00 0.00 N ATOM 412 CA LYS A 28 3.455 14.106 26.125 1.00 0.00 C ATOM 413 C LYS A 28 2.041 13.910 25.608 1.00 0.00 C ATOM 414 O LYS A 28 1.584 12.775 25.408 1.00 0.00 O ATOM 415 CB LYS A 28 3.446 14.286 27.644 1.00 0.00 C ATOM 416 CG LYS A 28 4.821 14.215 28.294 1.00 0.00 C ATOM 417 CD LYS A 28 4.754 14.573 29.771 1.00 0.00 C ATOM 418 CE LYS A 28 6.134 14.548 30.411 1.00 0.00 C ATOM 419 NZ LYS A 28 6.112 15.079 31.801 1.00 0.00 N ATOM 420 H LYS A 28 4.315 16.067 26.011 1.00 0.00 H ATOM 421 HA LYS A 28 4.027 13.214 25.866 1.00 0.00 H ATOM 422 1HB LYS A 28 3.008 15.253 27.893 1.00 0.00 H ATOM 423 2HB LYS A 28 2.821 13.517 28.098 1.00 0.00 H ATOM 424 1HG LYS A 28 5.221 13.206 28.191 1.00 0.00 H ATOM 425 2HG LYS A 28 5.497 14.907 27.791 1.00 0.00 H ATOM 426 1HD LYS A 28 4.328 15.571 29.884 1.00 0.00 H ATOM 427 2HD LYS A 28 4.110 13.862 30.288 1.00 0.00 H ATOM 428 1HE LYS A 28 6.506 13.524 30.432 1.00 0.00 H ATOM 429 2HE LYS A 28 6.822 15.149 29.817 1.00 0.00 H ATOM 430 1HZ LYS A 28 7.044 15.045 32.189 1.00 0.00 H ATOM 431 2HZ LYS A 28 5.786 16.035 31.791 1.00 0.00 H ATOM 432 3HZ LYS A 28 5.492 14.518 32.367 1.00 0.00 H ATOM 433 N VAL A 29 1.284 14.976 25.413 1.00 0.00 N ATOM 434 CA VAL A 29 -0.062 14.869 24.863 1.00 0.00 C ATOM 435 C VAL A 29 -0.007 14.278 23.463 1.00 0.00 C ATOM 436 O VAL A 29 -0.780 13.394 23.090 1.00 0.00 O ATOM 437 CB VAL A 29 -0.740 16.252 24.814 1.00 0.00 C ATOM 438 CG1 VAL A 29 -2.041 16.179 24.027 1.00 0.00 C ATOM 439 CG2 VAL A 29 -0.992 16.755 26.227 1.00 0.00 C ATOM 440 H VAL A 29 1.647 15.888 25.650 1.00 0.00 H ATOM 441 HA VAL A 29 -0.643 14.197 25.496 1.00 0.00 H ATOM 442 HB VAL A 29 -0.086 16.949 24.290 1.00 0.00 H ATOM 443 1HG1 VAL A 29 -2.506 17.165 24.002 1.00 0.00 H ATOM 444 2HG1 VAL A 29 -1.832 15.851 23.009 1.00 0.00 H ATOM 445 3HG1 VAL A 29 -2.717 15.471 24.506 1.00 0.00 H ATOM 446 1HG2 VAL A 29 -1.471 17.733 26.185 1.00 0.00 H ATOM 447 2HG2 VAL A 29 -1.642 16.055 26.753 1.00 0.00 H ATOM 448 3HG2 VAL A 29 -0.044 16.839 26.758 1.00 0.00 H ATOM 449 N PHE A 30 0.882 14.800 22.606 1.00 0.00 N ATOM 450 CA PHE A 30 0.944 14.334 21.227 1.00 0.00 C ATOM 451 C PHE A 30 1.463 12.922 21.114 1.00 0.00 C ATOM 452 O PHE A 30 0.991 12.172 20.257 1.00 0.00 O ATOM 453 CB PHE A 30 1.761 15.338 20.406 1.00 0.00 C ATOM 454 CG PHE A 30 1.071 16.633 20.101 1.00 0.00 C ATOM 455 CD1 PHE A 30 -0.293 16.735 19.867 1.00 0.00 C ATOM 456 CD2 PHE A 30 1.791 17.811 20.019 1.00 0.00 C ATOM 457 CE1 PHE A 30 -0.890 17.917 19.529 1.00 0.00 C ATOM 458 CE2 PHE A 30 1.204 19.004 19.667 1.00 0.00 C ATOM 459 CZ PHE A 30 -0.164 19.077 19.439 1.00 0.00 C ATOM 460 H PHE A 30 1.517 15.524 22.910 1.00 0.00 H ATOM 461 HA PHE A 30 -0.072 14.282 20.832 1.00 0.00 H ATOM 462 1HB PHE A 30 2.681 15.578 20.937 1.00 0.00 H ATOM 463 2HB PHE A 30 2.040 14.888 19.454 1.00 0.00 H ATOM 464 HD1 PHE A 30 -0.917 15.845 19.956 1.00 0.00 H ATOM 465 HD2 PHE A 30 2.866 17.763 20.195 1.00 0.00 H ATOM 466 HE1 PHE A 30 -1.960 17.948 19.324 1.00 0.00 H ATOM 467 HE2 PHE A 30 1.822 19.896 19.566 1.00 0.00 H ATOM 468 HZ PHE A 30 -0.661 20.015 19.196 1.00 0.00 H ATOM 469 N LYS A 31 2.461 12.564 21.895 1.00 0.00 N ATOM 470 CA LYS A 31 3.015 11.203 21.790 1.00 0.00 C ATOM 471 C LYS A 31 1.965 10.219 22.267 1.00 0.00 C ATOM 472 O LYS A 31 1.834 9.163 21.669 1.00 0.00 O ATOM 473 CB LYS A 31 4.328 11.061 22.538 1.00 0.00 C ATOM 474 CG LYS A 31 5.428 11.708 21.723 1.00 0.00 C ATOM 475 CD LYS A 31 6.786 11.587 22.339 1.00 0.00 C ATOM 476 CE LYS A 31 7.861 11.963 21.317 1.00 0.00 C ATOM 477 NZ LYS A 31 9.120 11.930 22.106 1.00 0.00 N ATOM 478 H LYS A 31 2.856 13.206 22.567 1.00 0.00 H ATOM 479 HA LYS A 31 3.205 10.987 20.738 1.00 0.00 H ATOM 480 1HB LYS A 31 4.243 11.536 23.516 1.00 0.00 H ATOM 481 2HB LYS A 31 4.540 10.005 22.704 1.00 0.00 H ATOM 482 1HG LYS A 31 5.469 11.245 20.736 1.00 0.00 H ATOM 483 2HG LYS A 31 5.213 12.769 21.599 1.00 0.00 H ATOM 484 1HD LYS A 31 6.854 12.249 23.204 1.00 0.00 H ATOM 485 2HD LYS A 31 6.944 10.562 22.675 1.00 0.00 H ATOM 486 1HE LYS A 31 7.853 11.244 20.499 1.00 0.00 H ATOM 487 2HE LYS A 31 7.644 12.949 20.906 1.00 0.00 H ATOM 488 1HZ LYS A 31 9.899 12.169 21.508 1.00 0.00 H ATOM 489 2HZ LYS A 31 9.061 12.596 22.864 1.00 0.00 H ATOM 490 3HZ LYS A 31 9.258 11.003 22.482 1.00 0.00 H ATOM 491 N GLN A 32 1.192 10.539 23.291 1.00 0.00 N ATOM 492 CA GLN A 32 0.166 9.586 23.729 1.00 0.00 C ATOM 493 C GLN A 32 -0.936 9.469 22.716 1.00 0.00 C ATOM 494 O GLN A 32 -1.461 8.369 22.458 1.00 0.00 O ATOM 495 CB GLN A 32 -0.341 10.010 25.101 1.00 0.00 C ATOM 496 CG GLN A 32 0.719 9.757 26.166 1.00 0.00 C ATOM 497 CD GLN A 32 0.290 9.684 27.607 1.00 0.00 C ATOM 498 OE1 GLN A 32 -0.326 8.731 28.093 1.00 0.00 O ATOM 499 NE2 GLN A 32 0.616 10.742 28.332 1.00 0.00 N ATOM 500 H GLN A 32 1.287 11.419 23.779 1.00 0.00 H ATOM 501 HA GLN A 32 0.620 8.598 23.799 1.00 0.00 H ATOM 502 1HB GLN A 32 -0.601 11.069 25.081 1.00 0.00 H ATOM 503 2HB GLN A 32 -1.248 9.455 25.341 1.00 0.00 H ATOM 504 1HG GLN A 32 1.200 8.800 25.964 1.00 0.00 H ATOM 505 2HG GLN A 32 1.455 10.560 26.129 1.00 0.00 H ATOM 506 1HE2 GLN A 32 0.371 10.781 29.301 1.00 0.00 H ATOM 507 2HE2 GLN A 32 1.108 11.505 27.911 1.00 0.00 H ATOM 508 N TYR A 33 -1.337 10.560 22.101 1.00 0.00 N ATOM 509 CA TYR A 33 -2.291 10.571 21.004 1.00 0.00 C ATOM 510 C TYR A 33 -1.779 9.677 19.873 1.00 0.00 C ATOM 511 O TYR A 33 -2.515 8.761 19.362 1.00 0.00 O ATOM 512 CB TYR A 33 -2.494 11.995 20.500 1.00 0.00 C ATOM 513 CG TYR A 33 -3.301 12.066 19.226 1.00 0.00 C ATOM 514 CD1 TYR A 33 -4.702 12.048 19.235 1.00 0.00 C ATOM 515 CD2 TYR A 33 -2.671 12.174 17.978 1.00 0.00 C ATOM 516 CE1 TYR A 33 -5.408 12.127 18.037 1.00 0.00 C ATOM 517 CE2 TYR A 33 -3.363 12.239 16.819 1.00 0.00 C ATOM 518 CZ TYR A 33 -4.734 12.215 16.846 1.00 0.00 C ATOM 519 OH TYR A 33 -5.307 12.300 15.586 1.00 0.00 O ATOM 520 H TYR A 33 -0.947 11.434 22.423 1.00 0.00 H ATOM 521 HA TYR A 33 -3.244 10.189 21.371 1.00 0.00 H ATOM 522 1HB TYR A 33 -3.003 12.583 21.265 1.00 0.00 H ATOM 523 2HB TYR A 33 -1.525 12.459 20.321 1.00 0.00 H ATOM 524 HD1 TYR A 33 -5.240 11.971 20.180 1.00 0.00 H ATOM 525 HD2 TYR A 33 -1.583 12.209 17.918 1.00 0.00 H ATOM 526 HE1 TYR A 33 -6.497 12.113 18.044 1.00 0.00 H ATOM 527 HE2 TYR A 33 -2.831 12.308 15.870 1.00 0.00 H ATOM 528 HH TYR A 33 -4.619 12.441 14.931 1.00 0.00 H ATOM 529 N ALA A 34 -0.542 9.875 19.419 1.00 0.00 N ATOM 530 CA ALA A 34 -0.005 9.050 18.338 1.00 0.00 C ATOM 531 C ALA A 34 -0.006 7.591 18.777 1.00 0.00 C ATOM 532 O ALA A 34 -0.389 6.712 17.965 1.00 0.00 O ATOM 533 CB ALA A 34 1.393 9.522 17.972 1.00 0.00 C ATOM 534 H ALA A 34 0.037 10.599 19.820 1.00 0.00 H ATOM 535 HA ALA A 34 -0.656 9.161 17.471 1.00 0.00 H ATOM 536 1HB ALA A 34 1.787 8.903 17.166 1.00 0.00 H ATOM 537 2HB ALA A 34 1.353 10.561 17.645 1.00 0.00 H ATOM 538 3HB ALA A 34 2.043 9.441 18.842 1.00 0.00 H ATOM 539 N ASN A 35 0.440 7.321 19.958 1.00 0.00 N ATOM 540 CA ASN A 35 0.468 5.921 20.436 1.00 0.00 C ATOM 541 C ASN A 35 -0.941 5.323 20.369 1.00 0.00 C ATOM 542 O ASN A 35 -1.135 4.209 19.812 1.00 0.00 O ATOM 543 CB ASN A 35 0.980 5.884 21.853 1.00 0.00 C ATOM 544 CG ASN A 35 1.043 4.470 22.406 1.00 0.00 C ATOM 545 OD1 ASN A 35 1.894 3.671 22.078 1.00 0.00 O ATOM 546 ND2 ASN A 35 0.090 4.160 23.275 1.00 0.00 N ATOM 547 H ASN A 35 0.773 8.055 20.566 1.00 0.00 H ATOM 548 HA ASN A 35 1.143 5.350 19.797 1.00 0.00 H ATOM 549 1HB ASN A 35 1.978 6.324 21.891 1.00 0.00 H ATOM 550 2HB ASN A 35 0.333 6.486 22.490 1.00 0.00 H ATOM 551 1HD2 ASN A 35 0.063 3.248 23.684 1.00 0.00 H ATOM 552 2HD2 ASN A 35 -0.602 4.839 23.522 1.00 0.00 H ATOM 553 N ASP A 36 -1.912 5.976 20.900 1.00 0.00 N ATOM 554 CA ASP A 36 -3.255 5.410 21.035 1.00 0.00 C ATOM 555 C ASP A 36 -3.871 5.156 19.673 1.00 0.00 C ATOM 556 O ASP A 36 -4.812 4.333 19.517 1.00 0.00 O ATOM 557 CB ASP A 36 -4.126 6.342 21.851 1.00 0.00 C ATOM 558 CG ASP A 36 -3.706 6.419 23.304 1.00 0.00 C ATOM 559 OD1 ASP A 36 -2.853 5.663 23.740 1.00 0.00 O ATOM 560 OD2 ASP A 36 -4.291 7.305 23.925 1.00 0.00 O ATOM 561 H ASP A 36 -1.737 6.913 21.234 1.00 0.00 H ATOM 562 HA ASP A 36 -3.177 4.453 21.553 1.00 0.00 H ATOM 563 1HB ASP A 36 -4.087 7.344 21.423 1.00 0.00 H ATOM 564 2HB ASP A 36 -5.162 6.007 21.804 1.00 0.00 H ATOM 565 N ASN A 37 -3.443 5.866 18.645 1.00 0.00 N ATOM 566 CA ASN A 37 -3.921 5.705 17.268 1.00 0.00 C ATOM 567 C ASN A 37 -2.958 4.832 16.494 1.00 0.00 C ATOM 568 O ASN A 37 -3.127 4.832 15.238 1.00 0.00 O ATOM 569 CB ASN A 37 -4.093 7.073 16.602 1.00 0.00 C ATOM 570 CG ASN A 37 -5.276 7.794 17.190 1.00 0.00 C ATOM 571 OD1 ASN A 37 -6.411 7.518 16.730 1.00 0.00 O ATOM 572 ND2 ASN A 37 -5.161 8.626 18.186 1.00 0.00 N ATOM 573 H ASN A 37 -2.738 6.562 18.842 1.00 0.00 H ATOM 574 HA ASN A 37 -4.890 5.204 17.294 1.00 0.00 H ATOM 575 1HB ASN A 37 -3.187 7.664 16.744 1.00 0.00 H ATOM 576 2HB ASN A 37 -4.233 6.940 15.529 1.00 0.00 H ATOM 577 1HD2 ASN A 37 -5.972 9.087 18.549 1.00 0.00 H ATOM 578 2HD2 ASN A 37 -4.264 8.804 18.587 1.00 0.00 H ATOM 579 N GLY A 38 -2.055 4.159 17.045 1.00 0.00 N ATOM 580 CA GLY A 38 -1.224 3.182 16.380 1.00 0.00 C ATOM 581 C GLY A 38 -0.118 3.773 15.551 1.00 0.00 C ATOM 582 O GLY A 38 0.396 3.080 14.644 1.00 0.00 O ATOM 583 H GLY A 38 -1.917 4.332 18.031 1.00 0.00 H ATOM 584 1HA GLY A 38 -0.775 2.520 17.121 1.00 0.00 H ATOM 585 2HA GLY A 38 -1.840 2.563 15.729 1.00 0.00 H ATOM 586 N VAL A 39 0.264 5.014 15.813 1.00 0.00 N ATOM 587 CA VAL A 39 1.309 5.638 15.037 1.00 0.00 C ATOM 588 C VAL A 39 2.620 5.494 15.755 1.00 0.00 C ATOM 589 O VAL A 39 2.703 6.024 16.895 1.00 0.00 O ATOM 590 CB VAL A 39 1.004 7.130 14.808 1.00 0.00 C ATOM 591 CG1 VAL A 39 2.139 7.794 14.043 1.00 0.00 C ATOM 592 CG2 VAL A 39 -0.311 7.281 14.060 1.00 0.00 C ATOM 593 H VAL A 39 -0.173 5.535 16.560 1.00 0.00 H ATOM 594 HA VAL A 39 1.358 5.147 14.065 1.00 0.00 H ATOM 595 HB VAL A 39 0.933 7.630 15.775 1.00 0.00 H ATOM 596 1HG1 VAL A 39 1.908 8.849 13.890 1.00 0.00 H ATOM 597 2HG1 VAL A 39 3.064 7.705 14.614 1.00 0.00 H ATOM 598 3HG1 VAL A 39 2.260 7.306 13.076 1.00 0.00 H ATOM 599 1HG2 VAL A 39 -0.521 8.339 13.902 1.00 0.00 H ATOM 600 2HG2 VAL A 39 -0.242 6.777 13.096 1.00 0.00 H ATOM 601 3HG2 VAL A 39 -1.116 6.836 14.646 1.00 0.00 H ATOM 602 N ASP A 40 3.592 4.891 15.149 1.00 0.00 N ATOM 603 CA ASP A 40 4.902 4.598 15.672 1.00 0.00 C ATOM 604 C ASP A 40 5.937 5.071 14.692 1.00 0.00 C ATOM 605 O ASP A 40 6.359 4.363 13.788 1.00 0.00 O ATOM 606 CB ASP A 40 5.028 3.061 15.843 1.00 0.00 C ATOM 607 CG ASP A 40 6.315 2.607 16.492 1.00 0.00 C ATOM 608 OD1 ASP A 40 7.093 3.435 17.006 1.00 0.00 O ATOM 609 OD2 ASP A 40 6.530 1.372 16.521 1.00 0.00 O ATOM 610 H ASP A 40 3.365 4.611 14.206 1.00 0.00 H ATOM 611 HA ASP A 40 5.004 5.085 16.642 1.00 0.00 H ATOM 612 1HB ASP A 40 4.200 2.694 16.449 1.00 0.00 H ATOM 613 2HB ASP A 40 4.958 2.580 14.867 1.00 0.00 H ATOM 614 N GLY A 41 6.321 6.339 14.763 1.00 0.00 N ATOM 615 CA GLY A 41 7.213 6.948 13.840 1.00 0.00 C ATOM 616 C GLY A 41 8.328 7.815 14.436 1.00 0.00 C ATOM 617 O GLY A 41 8.645 7.758 15.626 1.00 0.00 O ATOM 618 H GLY A 41 5.948 6.890 15.524 1.00 0.00 H ATOM 619 1HA GLY A 41 7.698 6.177 13.240 1.00 0.00 H ATOM 620 2HA GLY A 41 6.651 7.582 13.155 1.00 0.00 H ATOM 621 N GLU A 42 8.937 8.553 13.596 1.00 0.00 N ATOM 622 CA GLU A 42 10.033 9.478 13.982 1.00 0.00 C ATOM 623 C GLU A 42 9.468 10.856 14.171 1.00 0.00 C ATOM 624 O GLU A 42 8.539 11.287 13.462 1.00 0.00 O ATOM 625 CB GLU A 42 11.106 9.480 12.917 1.00 0.00 C ATOM 626 CG GLU A 42 11.757 8.120 12.716 1.00 0.00 C ATOM 627 CD GLU A 42 12.316 7.425 13.922 1.00 0.00 C ATOM 628 OE1 GLU A 42 12.938 8.071 14.790 1.00 0.00 O ATOM 629 OE2 GLU A 42 12.151 6.184 14.043 1.00 0.00 O ATOM 630 H GLU A 42 8.656 8.501 12.627 1.00 0.00 H ATOM 631 HA GLU A 42 10.467 9.128 14.919 1.00 0.00 H ATOM 632 1HB GLU A 42 10.676 9.800 11.968 1.00 0.00 H ATOM 633 2HB GLU A 42 11.881 10.198 13.183 1.00 0.00 H ATOM 634 1HG GLU A 42 11.025 7.439 12.284 1.00 0.00 H ATOM 635 2HG GLU A 42 12.578 8.224 12.009 1.00 0.00 H ATOM 636 N TRP A 43 10.027 11.603 15.112 1.00 0.00 N ATOM 637 CA TRP A 43 9.480 12.860 15.566 1.00 0.00 C ATOM 638 C TRP A 43 10.455 14.013 15.337 1.00 0.00 C ATOM 639 O TRP A 43 11.685 13.867 15.411 1.00 0.00 O ATOM 640 CB TRP A 43 9.258 12.825 17.085 1.00 0.00 C ATOM 641 CG TRP A 43 8.085 11.948 17.412 1.00 0.00 C ATOM 642 CD1 TRP A 43 8.046 10.587 17.467 1.00 0.00 C ATOM 643 CD2 TRP A 43 6.758 12.379 17.717 1.00 0.00 C ATOM 644 NE1 TRP A 43 6.774 10.155 17.785 1.00 0.00 N ATOM 645 CE2 TRP A 43 5.961 11.242 17.947 1.00 0.00 C ATOM 646 CE3 TRP A 43 6.172 13.634 17.816 1.00 0.00 C ATOM 647 CZ2 TRP A 43 4.607 11.305 18.260 1.00 0.00 C ATOM 648 CZ3 TRP A 43 4.824 13.695 18.138 1.00 0.00 C ATOM 649 CH2 TRP A 43 4.057 12.564 18.362 1.00 0.00 C ATOM 650 H TRP A 43 10.883 11.261 15.526 1.00 0.00 H ATOM 651 HA TRP A 43 8.519 13.016 15.075 1.00 0.00 H ATOM 652 1HB TRP A 43 10.157 12.449 17.575 1.00 0.00 H ATOM 653 2HB TRP A 43 9.085 13.837 17.451 1.00 0.00 H ATOM 654 HD1 TRP A 43 8.896 9.931 17.286 1.00 0.00 H ATOM 655 HE1 TRP A 43 6.487 9.192 17.883 1.00 0.00 H ATOM 656 HE3 TRP A 43 6.747 14.544 17.650 1.00 0.00 H ATOM 657 HZ2 TRP A 43 4.007 10.408 18.419 1.00 0.00 H ATOM 658 HZ3 TRP A 43 4.384 14.690 18.209 1.00 0.00 H ATOM 659 HH2 TRP A 43 3.003 12.669 18.622 1.00 0.00 H ATOM 660 N THR A 44 9.908 15.190 15.074 1.00 0.00 N ATOM 661 CA THR A 44 10.634 16.448 15.165 1.00 0.00 C ATOM 662 C THR A 44 9.818 17.463 15.989 1.00 0.00 C ATOM 663 O THR A 44 8.588 17.332 16.159 1.00 0.00 O ATOM 664 CB THR A 44 10.966 17.068 13.794 1.00 0.00 C ATOM 665 OG1 THR A 44 9.772 17.558 13.149 1.00 0.00 O ATOM 666 CG2 THR A 44 11.624 16.070 12.862 1.00 0.00 C ATOM 667 H THR A 44 8.937 15.202 14.797 1.00 0.00 H ATOM 668 HA THR A 44 11.581 16.264 15.672 1.00 0.00 H ATOM 669 HB THR A 44 11.645 17.910 13.930 1.00 0.00 H ATOM 670 HG1 THR A 44 9.473 16.915 12.500 1.00 0.00 H ATOM 671 1HG2 THR A 44 11.840 16.551 11.908 1.00 0.00 H ATOM 672 2HG2 THR A 44 12.552 15.713 13.308 1.00 0.00 H ATOM 673 3HG2 THR A 44 10.953 15.228 12.699 1.00 0.00 H ATOM 674 N TYR A 45 10.513 18.504 16.422 1.00 0.00 N ATOM 675 CA TYR A 45 9.896 19.613 17.130 1.00 0.00 C ATOM 676 C TYR A 45 10.676 20.881 16.794 1.00 0.00 C ATOM 677 O TYR A 45 11.915 20.897 16.880 1.00 0.00 O ATOM 678 CB TYR A 45 9.860 19.431 18.661 1.00 0.00 C ATOM 679 CG TYR A 45 9.317 20.667 19.330 1.00 0.00 C ATOM 680 CD1 TYR A 45 8.066 21.120 19.087 1.00 0.00 C ATOM 681 CD2 TYR A 45 10.107 21.366 20.240 1.00 0.00 C ATOM 682 CE1 TYR A 45 7.543 22.238 19.692 1.00 0.00 C ATOM 683 CE2 TYR A 45 9.606 22.515 20.830 1.00 0.00 C ATOM 684 CZ TYR A 45 8.316 22.949 20.575 1.00 0.00 C ATOM 685 OH TYR A 45 7.815 24.113 21.130 1.00 0.00 O ATOM 686 H TYR A 45 11.508 18.523 16.251 1.00 0.00 H ATOM 687 HA TYR A 45 8.862 19.705 16.796 1.00 0.00 H ATOM 688 1HB TYR A 45 9.237 18.571 18.911 1.00 0.00 H ATOM 689 2HB TYR A 45 10.865 19.225 19.027 1.00 0.00 H ATOM 690 HD1 TYR A 45 7.422 20.591 18.383 1.00 0.00 H ATOM 691 HD2 TYR A 45 11.108 21.008 20.480 1.00 0.00 H ATOM 692 HE1 TYR A 45 6.529 22.560 19.460 1.00 0.00 H ATOM 693 HE2 TYR A 45 10.231 23.096 21.509 1.00 0.00 H ATOM 694 HH TYR A 45 8.532 24.608 21.534 1.00 0.00 H ATOM 695 N ASP A 46 9.978 21.932 16.385 1.00 0.00 N ATOM 696 CA ASP A 46 10.620 23.188 16.123 1.00 0.00 C ATOM 697 C ASP A 46 10.058 24.240 17.085 1.00 0.00 C ATOM 698 O ASP A 46 8.938 24.679 16.972 1.00 0.00 O ATOM 699 CB ASP A 46 10.421 23.655 14.682 1.00 0.00 C ATOM 700 CG ASP A 46 11.262 24.891 14.409 1.00 0.00 C ATOM 701 OD1 ASP A 46 11.636 25.626 15.347 1.00 0.00 O ATOM 702 OD2 ASP A 46 11.627 25.096 13.218 1.00 0.00 O ATOM 703 H ASP A 46 8.980 21.853 16.254 1.00 0.00 H ATOM 704 HA ASP A 46 11.692 23.070 16.288 1.00 0.00 H ATOM 705 1HB ASP A 46 10.702 22.854 13.997 1.00 0.00 H ATOM 706 2HB ASP A 46 9.367 23.875 14.513 1.00 0.00 H ATOM 707 N ASP A 47 10.911 24.609 18.049 1.00 0.00 N ATOM 708 CA ASP A 47 10.472 25.507 19.121 1.00 0.00 C ATOM 709 C ASP A 47 10.185 26.908 18.607 1.00 0.00 C ATOM 710 O ASP A 47 9.577 27.743 19.340 1.00 0.00 O ATOM 711 CB ASP A 47 11.502 25.527 20.267 1.00 0.00 C ATOM 712 CG ASP A 47 10.924 26.087 21.536 1.00 0.00 C ATOM 713 OD1 ASP A 47 9.817 25.705 21.992 1.00 0.00 O ATOM 714 OD2 ASP A 47 11.624 26.883 22.225 1.00 0.00 O ATOM 715 H ASP A 47 11.863 24.274 18.048 1.00 0.00 H ATOM 716 HA ASP A 47 9.523 25.140 19.513 1.00 0.00 H ATOM 717 1HB ASP A 47 11.857 24.513 20.454 1.00 0.00 H ATOM 718 2HB ASP A 47 12.363 26.126 19.972 1.00 0.00 H ATOM 719 N ALA A 48 10.593 27.248 17.427 1.00 0.00 N ATOM 720 CA ALA A 48 10.341 28.580 16.884 1.00 0.00 C ATOM 721 C ALA A 48 8.910 28.625 16.381 1.00 0.00 C ATOM 722 O ALA A 48 8.317 29.730 16.353 1.00 0.00 O ATOM 723 CB ALA A 48 11.324 28.932 15.764 1.00 0.00 C ATOM 724 H ALA A 48 11.098 26.577 16.867 1.00 0.00 H ATOM 725 HA ALA A 48 10.468 29.303 17.690 1.00 0.00 H ATOM 726 1HB ALA A 48 11.103 29.931 15.387 1.00 0.00 H ATOM 727 2HB ALA A 48 12.342 28.908 16.153 1.00 0.00 H ATOM 728 3HB ALA A 48 11.227 28.209 14.955 1.00 0.00 H ATOM 729 N THR A 49 8.333 27.508 15.936 1.00 0.00 N ATOM 730 CA THR A 49 6.991 27.470 15.370 1.00 0.00 C ATOM 731 C THR A 49 5.993 26.682 16.211 1.00 0.00 C ATOM 732 O THR A 49 4.800 26.609 15.884 1.00 0.00 O ATOM 733 CB THR A 49 7.026 26.880 13.948 1.00 0.00 C ATOM 734 OG1 THR A 49 7.482 25.522 14.003 1.00 0.00 O ATOM 735 CG2 THR A 49 7.958 27.688 13.058 1.00 0.00 C ATOM 736 H THR A 49 8.864 26.652 16.000 1.00 0.00 H ATOM 737 HA THR A 49 6.615 28.491 15.303 1.00 0.00 H ATOM 738 HB THR A 49 6.023 26.895 13.523 1.00 0.00 H ATOM 739 HG1 THR A 49 8.440 25.509 14.074 1.00 0.00 H ATOM 740 1HG2 THR A 49 7.970 27.257 12.057 1.00 0.00 H ATOM 741 2HG2 THR A 49 7.608 28.719 13.005 1.00 0.00 H ATOM 742 3HG2 THR A 49 8.965 27.669 13.473 1.00 0.00 H ATOM 743 N LYS A 50 6.425 26.119 17.310 1.00 0.00 N ATOM 744 CA LYS A 50 5.619 25.364 18.231 1.00 0.00 C ATOM 745 C LYS A 50 4.961 24.203 17.524 1.00 0.00 C ATOM 746 O LYS A 50 3.843 23.799 17.836 1.00 0.00 O ATOM 747 CB LYS A 50 4.619 26.246 18.983 1.00 0.00 C ATOM 748 CG LYS A 50 5.219 27.514 19.576 1.00 0.00 C ATOM 749 CD LYS A 50 6.365 27.250 20.512 1.00 0.00 C ATOM 750 CE LYS A 50 6.969 28.539 21.070 1.00 0.00 C ATOM 751 NZ LYS A 50 8.272 28.194 21.686 1.00 0.00 N ATOM 752 H LYS A 50 7.408 26.241 17.503 1.00 0.00 H ATOM 753 HA LYS A 50 6.277 24.902 18.968 1.00 0.00 H ATOM 754 1HB LYS A 50 3.814 26.540 18.308 1.00 0.00 H ATOM 755 2HB LYS A 50 4.171 25.676 19.797 1.00 0.00 H ATOM 756 1HG LYS A 50 5.583 28.154 18.772 1.00 0.00 H ATOM 757 2HG LYS A 50 4.452 28.055 20.128 1.00 0.00 H ATOM 758 1HD LYS A 50 6.019 26.641 21.348 1.00 0.00 H ATOM 759 2HD LYS A 50 7.147 26.703 19.986 1.00 0.00 H ATOM 760 1HE LYS A 50 7.097 29.259 20.263 1.00 0.00 H ATOM 761 2HE LYS A 50 6.291 28.969 21.807 1.00 0.00 H ATOM 762 1HZ LYS A 50 8.696 29.029 22.065 1.00 0.00 H ATOM 763 2HZ LYS A 50 8.127 27.524 22.428 1.00 0.00 H ATOM 764 3HZ LYS A 50 8.881 27.796 20.987 1.00 0.00 H ATOM 765 N THR A 51 5.689 23.565 16.599 1.00 0.00 N ATOM 766 CA THR A 51 5.135 22.479 15.781 1.00 0.00 C ATOM 767 C THR A 51 5.931 21.199 15.934 1.00 0.00 C ATOM 768 O THR A 51 7.172 21.225 15.842 1.00 0.00 O ATOM 769 CB THR A 51 5.088 22.871 14.292 1.00 0.00 C ATOM 770 OG1 THR A 51 4.264 24.033 14.128 1.00 0.00 O ATOM 771 CG2 THR A 51 4.523 21.731 13.458 1.00 0.00 C ATOM 772 H THR A 51 6.650 23.842 16.462 1.00 0.00 H ATOM 773 HA THR A 51 4.111 22.290 16.103 1.00 0.00 H ATOM 774 HB THR A 51 6.094 23.104 13.945 1.00 0.00 H ATOM 775 HG1 THR A 51 4.487 24.681 14.800 1.00 0.00 H ATOM 776 1HG2 THR A 51 4.498 22.026 12.409 1.00 0.00 H ATOM 777 2HG2 THR A 51 5.154 20.850 13.572 1.00 0.00 H ATOM 778 3HG2 THR A 51 3.513 21.500 13.794 1.00 0.00 H ATOM 779 N PHE A 52 5.231 20.123 16.135 1.00 0.00 N ATOM 780 CA PHE A 52 5.723 18.773 16.226 1.00 0.00 C ATOM 781 C PHE A 52 5.335 18.026 14.936 1.00 0.00 C ATOM 782 O PHE A 52 4.269 18.316 14.351 1.00 0.00 O ATOM 783 CB PHE A 52 5.076 17.982 17.368 1.00 0.00 C ATOM 784 CG PHE A 52 5.403 18.490 18.732 1.00 0.00 C ATOM 785 CD1 PHE A 52 4.753 19.527 19.326 1.00 0.00 C ATOM 786 CD2 PHE A 52 6.429 17.893 19.430 1.00 0.00 C ATOM 787 CE1 PHE A 52 5.047 19.952 20.608 1.00 0.00 C ATOM 788 CE2 PHE A 52 6.740 18.263 20.734 1.00 0.00 C ATOM 789 CZ PHE A 52 6.049 19.333 21.327 1.00 0.00 C ATOM 790 H PHE A 52 4.240 20.293 16.233 1.00 0.00 H ATOM 791 HA PHE A 52 6.797 18.807 16.417 1.00 0.00 H ATOM 792 1HB PHE A 52 3.993 18.001 17.256 1.00 0.00 H ATOM 793 2HB PHE A 52 5.393 16.941 17.315 1.00 0.00 H ATOM 794 HD1 PHE A 52 3.968 20.047 18.776 1.00 0.00 H ATOM 795 HD2 PHE A 52 6.959 17.065 18.958 1.00 0.00 H ATOM 796 HE1 PHE A 52 4.487 20.775 21.051 1.00 0.00 H ATOM 797 HE2 PHE A 52 7.511 17.735 21.295 1.00 0.00 H ATOM 798 HZ PHE A 52 6.292 19.676 22.332 1.00 0.00 H ATOM 799 N THR A 53 6.146 17.080 14.518 1.00 0.00 N ATOM 800 CA THR A 53 5.753 16.202 13.410 1.00 0.00 C ATOM 801 C THR A 53 5.980 14.772 13.835 1.00 0.00 C ATOM 802 O THR A 53 6.891 14.495 14.639 1.00 0.00 O ATOM 803 CB THR A 53 6.541 16.501 12.121 1.00 0.00 C ATOM 804 OG1 THR A 53 7.888 16.033 12.262 1.00 0.00 O ATOM 805 CG2 THR A 53 6.554 17.995 11.839 1.00 0.00 C ATOM 806 H THR A 53 7.048 16.948 14.954 1.00 0.00 H ATOM 807 HA THR A 53 4.694 16.358 13.205 1.00 0.00 H ATOM 808 HB THR A 53 6.076 15.983 11.283 1.00 0.00 H ATOM 809 HG1 THR A 53 8.382 16.642 12.817 1.00 0.00 H ATOM 810 1HG2 THR A 53 7.115 18.188 10.924 1.00 0.00 H ATOM 811 2HG2 THR A 53 5.532 18.352 11.720 1.00 0.00 H ATOM 812 3HG2 THR A 53 7.026 18.518 12.670 1.00 0.00 H ATOM 813 N VAL A 54 5.175 13.858 13.291 1.00 0.00 N ATOM 814 CA VAL A 54 5.459 12.431 13.439 1.00 0.00 C ATOM 815 C VAL A 54 5.229 11.738 12.103 1.00 0.00 C ATOM 816 O VAL A 54 4.176 11.883 11.451 1.00 0.00 O ATOM 817 CB VAL A 54 4.621 11.766 14.545 1.00 0.00 C ATOM 818 CG1 VAL A 54 3.111 11.876 14.331 1.00 0.00 C ATOM 819 CG2 VAL A 54 5.034 10.303 14.726 1.00 0.00 C ATOM 820 H VAL A 54 4.358 14.146 12.771 1.00 0.00 H ATOM 821 HA VAL A 54 6.510 12.314 13.708 1.00 0.00 H ATOM 822 HB VAL A 54 4.780 12.302 15.480 1.00 0.00 H ATOM 823 1HG1 VAL A 54 2.591 11.382 15.153 1.00 0.00 H ATOM 824 2HG1 VAL A 54 2.823 12.926 14.299 1.00 0.00 H ATOM 825 3HG1 VAL A 54 2.840 11.395 13.391 1.00 0.00 H ATOM 826 1HG2 VAL A 54 4.431 9.850 15.513 1.00 0.00 H ATOM 827 2HG2 VAL A 54 4.879 9.762 13.793 1.00 0.00 H ATOM 828 3HG2 VAL A 54 6.087 10.254 15.004 1.00 0.00 H ATOM 829 N THR A 55 6.237 10.995 11.644 1.00 0.00 N ATOM 830 CA THR A 55 6.238 10.358 10.334 1.00 0.00 C ATOM 831 C THR A 55 6.570 8.892 10.475 1.00 0.00 C ATOM 832 O THR A 55 7.539 8.512 11.157 1.00 0.00 O ATOM 833 CB THR A 55 7.240 11.030 9.378 1.00 0.00 C ATOM 834 OG1 THR A 55 6.926 12.423 9.253 1.00 0.00 O ATOM 835 CG2 THR A 55 7.187 10.378 8.005 1.00 0.00 C ATOM 836 H THR A 55 7.036 10.876 12.250 1.00 0.00 H ATOM 837 HA THR A 55 5.251 10.481 9.889 1.00 0.00 H ATOM 838 HB THR A 55 8.248 10.934 9.781 1.00 0.00 H ATOM 839 HG1 THR A 55 7.655 12.947 9.594 1.00 0.00 H ATOM 840 1HG2 THR A 55 7.902 10.865 7.342 1.00 0.00 H ATOM 841 2HG2 THR A 55 7.437 9.321 8.094 1.00 0.00 H ATOM 842 3HG2 THR A 55 6.184 10.479 7.593 1.00 0.00 H ATOM 843 N GLU A 56 5.800 8.046 9.804 1.00 0.00 N ATOM 844 CA GLU A 56 6.093 6.621 9.729 1.00 0.00 C ATOM 845 C GLU A 56 6.756 6.232 8.399 1.00 0.00 C ATOM 846 O GLU A 56 6.644 6.973 7.448 1.00 0.00 O ATOM 847 OXT GLU A 56 7.342 5.056 8.447 1.00 0.00 O ATOM 848 CB GLU A 56 4.815 5.819 9.883 1.00 0.00 C ATOM 849 CG GLU A 56 4.230 5.946 11.266 1.00 0.00 C ATOM 850 CD GLU A 56 3.051 5.049 11.505 1.00 0.00 C ATOM 851 OE1 GLU A 56 2.027 5.036 10.751 1.00 0.00 O ATOM 852 OE2 GLU A 56 3.045 4.268 12.458 1.00 0.00 O ATOM 853 H GLU A 56 4.984 8.406 9.330 1.00 0.00 H ATOM 854 HA GLU A 56 6.771 6.364 10.544 1.00 0.00 H ATOM 855 1HB GLU A 56 4.081 6.160 9.153 1.00 0.00 H ATOM 856 2HB GLU A 56 5.018 4.768 9.677 1.00 0.00 H ATOM 857 1HG GLU A 56 5.000 5.705 11.999 1.00 0.00 H ATOM 858 2HG GLU A 56 3.925 6.979 11.427 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE structure_ignorechain_0003.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_intra_sol_xover4 lk_ball_wtd fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 coordinate_constraint omega fa_dun p_aa_pp yhh_planarity ref rama_prepro total weights 1 0.55 1 0.005 1 1 1 1.25 1 1 1 1 1.25 0.5 0.4 0.7 0.6 0.625 1 0.45 NA pose -291.164 28.7774 199.368 0.56256 11.5326 -3.15075 -121.586 0 -14.7443 -24.3462 -7.41393 -6.89306 0 14.8772 5.90851 88.9222 -13.6766 0.02836 13.0572 -3.21386 -123.154 MET:NtermProteinFull_1 -4.62899 0.39102 4.20784 0.01088 0.11362 0.04279 -2.65838 0 0 0 0 0 0 0.26482 0.00266 1.80758 0 0 1.65735 0 1.2112 GLN_2 -3.50463 0.44317 3.06914 0.00911 0.16872 0.13055 -1.43952 0 0 0 0 -0.54927 0 0.18419 0.31612 4.65055 0.00879 0 -1.45095 -0.12512 1.91086 TYR_3 -11.209 1.00473 3.76351 0.02133 0.25706 -0.05312 -2.54202 0 0 0 0 0 0 0.01226 0.13421 1.35467 -0.31911 0.00035 0.58223 -0.26976 -7.26269 LYS_4 -7.32232 0.71778 5.72486 0.01145 0.1419 -0.03928 -4.60293 0 0 0 0 -0.16427 0 0.19108 0.09536 1.85081 0.12101 0 -0.71458 -0.18777 -4.1769 LEU_5 -9.75029 1.42906 1.97093 0.01659 0.09212 0.09467 -2.06974 0 0 0 0 0 0 0.02892 0.2909 0.5169 -0.18026 0 1.66147 -0.02199 -5.92072 ILE_6 -6.05229 0.47318 2.91386 0.02391 0.07391 0.11922 -2.36519 0 0 0 0 0 0 0.06156 -0.04355 0.25478 -0.68374 0 2.30374 -0.21128 -3.13189 LEU_7 -7.78634 1.1248 1.97348 0.01295 0.06474 0.0442 -1.87602 0 0 0 0 0 0 0.13103 0.03779 2.13084 -0.3724 0 1.66147 -0.26164 -3.11509 ASN_8 -4.52189 0.28431 4.58392 0.0072 0.6668 0.1635 -2.35542 0 0 0 0 0 0 0.09327 0.28807 1.75008 -0.70183 0 -1.34026 0.40866 -0.67359 GLY_9 -3.93 0.3405 4.11727 0.00011 0 0.1336 -2.59498 0 0 0 -0.20498 0 0 0.10757 -0.01366 0 -0.49467 0 0.79816 0.41199 -1.32911 LYS_10 -2.98396 0.22395 4.31807 0.00794 0.20442 -0.26132 -1.93091 0 0 0 -0.94961 0 0 0.33252 0.06097 3.60211 -0.05142 0 -0.71458 -0.27817 1.58002 THR_11 -1.85036 0.22834 1.3129 0.0192 0.09345 -0.24816 0.59537 0 0 0 0 0 0 0.1629 0.01801 3.10127 -0.64628 0 1.15175 -0.14289 3.7955 LEU_12 -4.87941 0.84044 1.31421 0.01118 0.11554 -0.35118 -0.69537 0 0 0 0 0 0 0.3299 -0.02408 9.19736 -0.26982 0 1.66147 0.16583 7.41608 LYS_13 -4.43977 0.30645 4.58417 0.00778 0.17066 0.00753 -3.29772 0 0 0 -0.20498 0 0 0.14867 0.03131 1.93074 0.00416 0 -0.71458 -0.01276 -1.47833 GLY_14 -2.53293 0.19272 2.41459 6e-05 0 0.05532 -1.70054 0 0 0 0 0 0 0.08971 -0.00725 0 -1.51866 0 0.79816 0.49648 -1.71234 GLU_15 -3.20796 0.52517 3.51483 0.00833 0.35481 -0.16949 -2.80306 0 0 0 0 -0.16427 0 0.1523 0.00509 2.92541 -0.08453 0 -2.72453 0.58774 -1.08016 THR_16 -3.91538 0.37731 3.24939 0.00662 0.04647 0.11203 -2.3839 0 0 0 0 0 0 0.30186 -0.0081 1.04809 -0.03186 0 1.15175 0.02365 -0.02208 THR_17 -3.46105 0.58533 1.19204 0.00799 0.09195 -0.19398 -0.63728 0 0 0 0 0 0 0.07171 0.06138 0.01999 -0.3946 0 1.15175 -0.11272 -1.61749 THR_18 -5.12772 0.29192 2.46071 0.01601 0.07988 0.04332 -1.82834 0 0 0 0 0 0 0.09874 0.04321 0.61137 -0.03997 0 1.15175 -0.15583 -2.35495 GLU_19 -3.04047 0.33555 3.39193 0.01047 0.73614 -0.15746 -1.82978 0 0 0 0 -0.54927 0 0.47201 -0.03878 4.11328 0.16982 0 -2.72453 -0.02574 0.86316 ALA_20 -4.24898 0.24966 1.98076 0.00115 0 0.29295 -1.54782 0 0 0 0 0 0 0.03031 0.0103 0 -0.43957 0 1.32468 0.04424 -2.30233 VAL_21 -2.23352 0.30857 1.22999 0.01734 0.03765 -0.22824 -0.1076 0 0 0 0 0 0 0.0528 -0.01764 0.47618 0.24114 0 2.64269 -0.00715 2.41222 ASP_22 -5.48081 0.50297 5.86144 0.00526 0.76762 -0.21533 -4.54412 0 0 0 -0.51574 -0.58632 0 0.04897 0.20063 2.6271 0.01744 0 -2.14574 0.00643 -3.45021 ALA_23 -4.54606 0.40367 2.52219 0.00138 0 0.13138 -0.73745 0 0 0 0 0 0 0.03083 -0.03953 0 -0.15895 0 1.32468 -0.15187 -1.21973 ALA_24 -3.49875 0.23338 3.57184 0.00146 0 -0.20692 -1.06793 0 0 0 0 0 0 0.03268 0.10879 0 -0.24788 0 1.32468 -0.39577 -0.14441 THR_25 -5.56544 0.40526 4.86099 0.0075 0.05989 -0.12807 -3.53632 0 0 0 -0.51574 -0.58632 0 0.08904 0.10745 -0.00023 -0.0203 0 1.15175 -0.14472 -3.81528 ALA_26 -6.61636 0.37136 2.30164 0.00135 0 -0.12539 -1.64818 0 0 0 0 0 0 0.012 0.07168 0 -0.31672 0 1.32468 -0.18881 -4.81276 GLU_27 -6.65896 0.50829 6.59048 0.01156 0.36164 0.32078 -4.45749 0 0 0 0 -0.42808 0 0.15444 -0.01514 2.68051 -0.04866 0 -2.72453 -0.3072 -4.01234 LYS_28 -4.81011 0.35604 4.61797 0.00724 0.11977 -0.15457 -1.98777 0 0 0 0 0 0 0.29146 0.12105 1.24174 -0.00318 0 -0.71458 -0.24375 -1.15869 VAL_29 -5.16495 0.2599 3.29771 0.01891 0.05284 -0.08743 -1.87029 0 0 0 0 0 0 0.03591 -0.0053 0.01715 -0.29719 0 2.64269 -0.16911 -1.26916 PHE_30 -11.6796 1.23944 2.96992 0.03049 0.20788 -0.342 -2.11834 0 0 0 0 0 0 0.04866 -0.03195 2.74774 0.0256 0 1.21829 -0.03883 -5.72267 LYS_31 -7.12761 0.59349 6.18721 0.01007 0.12889 0.14616 -4.5365 0 0 0 0 -0.42808 0 0.0748 0.03142 1.79637 -0.05196 0 -0.71458 -0.24376 -4.13407 GLN_32 -4.76656 0.40156 5.15777 0.0076 0.18166 -0.23063 -1.56127 0 0 0 0 0 0 1.06542 0.52074 4.56603 -0.11509 0 -1.45095 -0.28807 3.48821 TYR_33 -7.0355 0.52791 4.76339 0.0234 0.26076 -0.19519 -1.93228 0 0 0 0 0 0 0.08982 0.00998 1.48828 -0.45256 0.00494 0.58223 -0.01005 -1.87488 ALA_34 -6.1332 0.56332 3.46145 0.00129 0 -0.00992 -2.16935 0 0 0 0 0 0 0.01189 -0.00779 0 -0.0755 0 1.32468 0.05514 -2.97799 ASN_35 -4.31306 0.37006 4.94099 0.0054 0.61301 -0.09835 -2.41969 0 0 0 0 -0.1952 0 0.06042 0.21958 2.25951 0.55594 0 -1.34026 0.31378 0.97212 ASP_36 -3.65501 0.18932 4.68923 0.00406 0.31857 -0.34051 -1.09888 0 0 0 0 -0.1952 0 0.12147 0.01394 1.58011 -0.05188 0 -2.14574 0.15295 -0.41756 ASN_37 -4.54679 0.69533 3.62503 0.00667 0.33575 -0.3751 -1.28274 0 0 0 0 0 0 0.09656 0.4819 2.04232 -0.56827 0 -1.34026 -0.5399 -1.36949 GLY_38 -1.89499 0.07665 2.19879 0.00014 0 -0.09471 -0.83487 0 0 0 0 0 0 0.01254 -0.1437 0 -1.30118 0 0.79816 -0.74581 -1.92898 VAL_39 -5.66099 0.48451 1.68991 0.01689 0.04983 -0.31656 -1.06575 0 0 0 0 0 0 0.03185 -0.04192 0.01477 -0.4943 0 2.64269 -0.57705 -3.22612 ASP_40 -1.85753 0.10926 2.19227 0.0056 0.66885 -0.0286 -0.50265 0 0 0 -0.78527 0 0 0.03744 -0.00945 1.69237 -0.38345 0 -2.14574 0.09962 -0.90728 GLY_41 -2.88894 0.23188 1.96337 2e-05 0 -0.27514 -0.29664 0 0 0 0 0 0 0.05099 -0.04852 0 -0.51585 0 0.79816 0.67419 -0.30647 GLU_42 -3.08721 0.29169 3.1141 0.00748 0.67825 -0.05509 -1.9347 0 0 0 0 0 0 0.40739 0.96314 3.7087 0.01746 0 -2.72453 0.35609 1.74279 TRP_43 -8.72585 1.28625 1.25825 0.02177 0.25027 -0.43325 -0.81493 0 0 0 0 0 0 0.02854 1.03373 1.50525 -0.21804 0 2.26099 0.02941 -2.51762 THR_44 -3.40274 0.45778 3.7569 0.00585 0.08149 0.21206 -2.41659 0 0 0 0 -0.76603 0 0.04085 0.01518 0.26096 -0.46283 0 1.15175 -0.15481 -1.22017 TYR_45 -8.06492 0.87865 2.78841 0.02574 0.10057 -0.16357 -1.52607 0 0 0 0 -0.75736 0 0.03927 0.03534 2.19214 -0.2983 0.02307 0.58223 0.00642 -4.13837 ASP_46 -4.91797 0.36221 5.91053 0.00944 0.62704 -0.00407 -4.21143 0 0 0 -0.65277 0 0 0.22907 -0.01151 2.00286 -0.37448 0 -2.14574 0.26014 -2.91666 ASP_47 -4.1681 0.39934 5.78945 0.00405 0.76605 0.34387 -4.8163 0 0 0 -0.59859 -0.75736 0 0.09305 -0.0515 3.27571 -0.07697 0 -2.14574 -0.08936 -2.03241 ALA_48 -2.27073 0.27396 2.24975 0.0012 0 -0.14088 -1.15209 0 0 0 -0.65277 0 0 0.16854 -0.04127 0 0.05584 0 1.32468 -0.15924 -0.34301 THR_49 -3.68129 0.33058 4.10051 0.00738 0.07288 -0.4329 -0.91718 0 0 0 0 0 0 0.11279 0.02999 0.07859 -0.58702 0 1.15175 -0.19509 0.07097 LYS_50 -7.42308 0.68534 7.43982 0.015 0.51934 0.31742 -5.50943 0 0 0 -0.59859 0 0 0.1983 0.13772 1.94185 -0.11225 0 -0.71458 -0.3197 -3.42283 THR_51 -6.07566 0.50748 4.10511 0.01032 0.0547 -0.15377 -1.99843 0 0 0 0 0 0 0.05415 0.06375 0.04434 -0.20509 0 1.15175 -0.12396 -2.5653 PHE_52 -10.8278 1.21585 2.06963 0.02248 0.21698 0.14411 -3.08469 0 0 0 0 0 0 0.05463 0.18756 1.51775 -0.38185 0 1.21829 -0.07802 -7.72506 THR_53 -5.79452 0.97912 4.03688 0.00858 0.10072 0.20776 -2.60708 0 0 0 0 -0.76603 0 0.10236 0.37508 0.74719 -0.22596 0 1.15175 -0.22089 -1.90502 VAL_54 -7.26432 0.75355 1.15804 0.01505 0.06974 0.10097 -2.15252 0 0 0 0 0 0 0.01639 0.17994 1.80395 -0.44328 0 2.64269 -0.15217 -3.27197 THR_55 -4.37446 0.55164 3.53748 0.00807 0.05246 -0.0426 -2.93921 0 0 0 0 0 0 0.09986 0.20517 0.09953 -0.1761 0 1.15175 -0.00287 -1.82929 GLU:CtermProteinFull_56 -6.55653 0.60643 7.30075 0.0063 0.30533 0.03785 -5.16554 0 0 0 -1.73487 0 0 0.07807 0 3.64754 0 0 -2.72453 0.047 -4.15221 VRT_57 0 0 0 0 0 0 0 0 0 0 0 0 0 7.4386 0 0 0 0 0 0 7.4386 #END_POSE_ENERGIES_TABLE structure_ignorechain_0003.pdb