diff --git a/docs/results/HDAC2_vorinostat_pred.pdb b/docs/results/HDAC2_vorinostat_pred.pdb new file mode 100644 index 0000000..b43c99b --- /dev/null +++ b/docs/results/HDAC2_vorinostat_pred.pdb @@ -0,0 +1,3007 @@ +ATOM 1 N GLY A 1 23.947 -7.964 1.656 1.00 94.58 N +ATOM 2 CA GLY A 1 24.106 -8.697 0.393 1.00 94.58 C +ATOM 3 C GLY A 1 22.788 -8.867 -0.337 1.00 94.58 C +ATOM 4 O GLY A 1 21.806 -8.204 0.013 1.00 94.58 O +ATOM 5 N LYS A 2 22.774 -9.736 -1.363 1.00 98.22 N +ATOM 6 CA LYS A 2 21.533 -10.049 -2.075 1.00 98.22 C +ATOM 7 C LYS A 2 20.599 -10.845 -1.164 1.00 98.22 C +ATOM 8 O LYS A 2 21.056 -11.657 -0.358 1.00 98.22 O +ATOM 9 CB LYS A 2 21.811 -10.812 -3.369 1.00 98.22 C +ATOM 10 CG LYS A 2 22.324 -9.913 -4.483 1.00 98.22 C +ATOM 11 CD LYS A 2 22.295 -10.599 -5.834 1.00 98.22 C +ATOM 12 CE LYS A 2 22.747 -9.666 -6.939 1.00 98.22 C +ATOM 13 NZ LYS A 2 22.675 -10.311 -8.281 1.00 98.22 N +ATOM 14 N LYS A 3 19.327 -10.588 -1.308 1.00 98.58 N +ATOM 15 CA LYS A 3 18.322 -11.153 -0.410 1.00 98.58 C +ATOM 16 C LYS A 3 17.380 -12.102 -1.137 1.00 98.58 C +ATOM 17 O LYS A 3 17.111 -11.929 -2.329 1.00 98.58 O +ATOM 18 CB LYS A 3 17.517 -10.037 0.259 1.00 98.58 C +ATOM 19 CG LYS A 3 18.374 -9.015 1.010 1.00 98.58 C +ATOM 20 CD LYS A 3 19.027 -9.622 2.239 1.00 98.58 C +ATOM 21 CE LYS A 3 20.145 -8.745 2.799 1.00 98.58 C +ATOM 22 NZ LYS A 3 19.795 -7.329 2.932 1.00 98.58 N +ATOM 23 N LYS A 4 16.860 -13.088 -0.389 1.00 98.98 N +ATOM 24 CA LYS A 4 15.856 -13.999 -0.925 1.00 98.98 C +ATOM 25 C LYS A 4 14.514 -13.275 -0.987 1.00 98.98 C +ATOM 26 O LYS A 4 14.102 -12.653 -0.007 1.00 98.98 O +ATOM 27 CB LYS A 4 15.738 -15.256 -0.064 1.00 98.98 C +ATOM 28 CG LYS A 4 14.724 -16.257 -0.603 1.00 98.98 C +ATOM 29 CD LYS A 4 14.668 -17.515 0.236 1.00 98.98 C +ATOM 30 CE LYS A 4 13.651 -18.494 -0.319 1.00 98.98 C +ATOM 31 NZ LYS A 4 13.614 -19.747 0.483 1.00 98.98 N +ATOM 32 N VAL A 5 13.853 -13.343 -2.148 1.00 99.00 N +ATOM 33 CA VAL A 5 12.567 -12.686 -2.366 1.00 99.00 C +ATOM 34 C VAL A 5 11.504 -13.726 -2.700 1.00 99.00 C +ATOM 35 O VAL A 5 11.707 -14.565 -3.579 1.00 99.00 O +ATOM 36 CB VAL A 5 12.648 -11.623 -3.487 1.00 99.00 C +ATOM 37 CG1 VAL A 5 11.298 -10.951 -3.704 1.00 99.00 C +ATOM 38 CG2 VAL A 5 13.720 -10.582 -3.167 1.00 99.00 C +ATOM 39 N CYS A 6 10.380 -13.671 -1.989 1.00 98.97 N +ATOM 40 CA CYS A 6 9.198 -14.465 -2.296 1.00 98.97 C +ATOM 41 C CYS A 6 8.100 -13.525 -2.769 1.00 98.97 C +ATOM 42 O CYS A 6 7.883 -12.469 -2.169 1.00 98.97 O +ATOM 43 CB CYS A 6 8.738 -15.265 -1.082 1.00 98.97 C +ATOM 44 SG CYS A 6 9.922 -16.528 -0.592 1.00 98.97 S +ATOM 45 N TYR A 7 7.427 -13.889 -3.836 1.00 99.00 N +ATOM 46 CA TYR A 7 6.479 -13.040 -4.553 1.00 99.00 C +ATOM 47 C TYR A 7 5.145 -13.766 -4.661 1.00 99.00 C +ATOM 48 O TYR A 7 5.110 -14.946 -5.016 1.00 99.00 O +ATOM 49 CB TYR A 7 7.070 -12.717 -5.923 1.00 99.00 C +ATOM 50 CG TYR A 7 6.185 -12.063 -6.948 1.00 99.00 C +ATOM 51 CD1 TYR A 7 5.406 -12.844 -7.802 1.00 99.00 C +ATOM 52 CD2 TYR A 7 6.188 -10.682 -7.122 1.00 99.00 C +ATOM 53 CE1 TYR A 7 4.635 -12.251 -8.798 1.00 99.00 C +ATOM 54 CE2 TYR A 7 5.416 -10.087 -8.122 1.00 99.00 C +ATOM 55 CZ TYR A 7 4.646 -10.875 -8.954 1.00 99.00 C +ATOM 56 OH TYR A 7 3.901 -10.295 -9.952 1.00 99.00 O +ATOM 57 N TYR A 8 4.054 -13.049 -4.373 1.00 99.00 N +ATOM 58 CA TYR A 8 2.712 -13.619 -4.319 1.00 99.00 C +ATOM 59 C TYR A 8 1.839 -13.058 -5.433 1.00 99.00 C +ATOM 60 O TYR A 8 1.721 -11.841 -5.575 1.00 99.00 O +ATOM 61 CB TYR A 8 2.089 -13.384 -2.930 1.00 99.00 C +ATOM 62 CG TYR A 8 2.838 -14.160 -1.873 1.00 99.00 C +ATOM 63 CD1 TYR A 8 3.983 -13.644 -1.290 1.00 99.00 C +ATOM 64 CD2 TYR A 8 2.443 -15.450 -1.533 1.00 99.00 C +ATOM 65 CE1 TYR A 8 4.721 -14.386 -0.376 1.00 99.00 C +ATOM 66 CE2 TYR A 8 3.170 -16.201 -0.618 1.00 99.00 C +ATOM 67 CZ TYR A 8 4.313 -15.668 -0.047 1.00 99.00 C +ATOM 68 OH TYR A 8 5.053 -16.409 0.837 1.00 99.00 O +ATOM 69 N TYR A 9 1.233 -13.953 -6.222 1.00 99.00 N +ATOM 70 CA TYR A 9 0.400 -13.555 -7.355 1.00 99.00 C +ATOM 71 C TYR A 9 -0.616 -14.647 -7.674 1.00 99.00 C +ATOM 72 O TYR A 9 -0.254 -15.821 -7.719 1.00 99.00 O +ATOM 73 CB TYR A 9 1.271 -13.282 -8.587 1.00 99.00 C +ATOM 74 CG TYR A 9 0.487 -12.962 -9.842 1.00 99.00 C +ATOM 75 CD1 TYR A 9 0.363 -13.905 -10.865 1.00 99.00 C +ATOM 76 CD2 TYR A 9 -0.123 -11.720 -10.005 1.00 99.00 C +ATOM 77 CE1 TYR A 9 -0.349 -13.618 -12.028 1.00 99.00 C +ATOM 78 CE2 TYR A 9 -0.842 -11.422 -11.165 1.00 99.00 C +ATOM 79 CZ TYR A 9 -0.948 -12.374 -12.171 1.00 99.00 C +ATOM 80 OH TYR A 9 -1.651 -12.084 -13.317 1.00 99.00 O +ATOM 81 N ASP A 10 -1.863 -14.250 -7.891 1.00 99.00 N +ATOM 82 CA ASP A 10 -2.896 -15.147 -8.396 1.00 99.00 C +ATOM 83 C ASP A 10 -3.329 -14.646 -9.768 1.00 99.00 C +ATOM 84 O ASP A 10 -3.714 -13.483 -9.902 1.00 99.00 O +ATOM 85 CB ASP A 10 -4.090 -15.217 -7.441 1.00 99.00 C +ATOM 86 CG ASP A 10 -5.060 -16.330 -7.819 1.00 99.00 C +ATOM 87 OD1 ASP A 10 -5.253 -17.258 -7.012 1.00 99.00 O +ATOM 88 OD2 ASP A 10 -5.636 -16.275 -8.941 1.00 99.00 O +ATOM 89 N GLY A 11 -3.268 -15.510 -10.773 1.00 98.97 N +ATOM 90 CA GLY A 11 -3.613 -15.147 -12.146 1.00 98.97 C +ATOM 91 C GLY A 11 -5.042 -14.663 -12.340 1.00 98.97 C +ATOM 92 O GLY A 11 -5.333 -14.025 -13.350 1.00 98.97 O +ATOM 93 N ASP A 12 -5.929 -14.953 -11.388 1.00 98.95 N +ATOM 94 CA ASP A 12 -7.318 -14.494 -11.465 1.00 98.95 C +ATOM 95 C ASP A 12 -7.486 -13.024 -11.082 1.00 98.95 C +ATOM 96 O ASP A 12 -8.513 -12.424 -11.405 1.00 98.95 O +ATOM 97 CB ASP A 12 -8.227 -15.329 -10.563 1.00 98.95 C +ATOM 98 CG ASP A 12 -8.331 -16.795 -10.955 1.00 98.95 C +ATOM 99 OD1 ASP A 12 -8.706 -17.617 -10.086 1.00 98.95 O +ATOM 100 OD2 ASP A 12 -8.044 -17.133 -12.130 1.00 98.95 O +ATOM 101 N ILE A 13 -6.496 -12.438 -10.410 1.00 98.99 N +ATOM 102 CA ILE A 13 -6.654 -11.113 -9.799 1.00 98.99 C +ATOM 103 C ILE A 13 -7.025 -10.021 -10.817 1.00 98.99 C +ATOM 104 O ILE A 13 -7.819 -9.130 -10.501 1.00 98.99 O +ATOM 105 CB ILE A 13 -5.398 -10.731 -8.953 1.00 98.99 C +ATOM 106 CG1 ILE A 13 -5.743 -9.651 -7.924 1.00 98.99 C +ATOM 107 CG2 ILE A 13 -4.224 -10.311 -9.835 1.00 98.99 C +ATOM 108 CD1 ILE A 13 -6.516 -10.160 -6.707 1.00 98.99 C +ATOM 109 N GLY A 14 -6.498 -10.112 -12.024 1.00 99.00 N +ATOM 110 CA GLY A 14 -6.746 -9.118 -13.063 1.00 99.00 C +ATOM 111 C GLY A 14 -8.150 -9.124 -13.637 1.00 99.00 C +ATOM 112 O GLY A 14 -8.512 -8.195 -14.357 1.00 99.00 O +ATOM 113 N ASN A 15 -8.923 -10.165 -13.332 1.00 98.98 N +ATOM 114 CA ASN A 15 -10.287 -10.297 -13.847 1.00 98.98 C +ATOM 115 C ASN A 15 -11.341 -9.604 -12.987 1.00 98.98 C +ATOM 116 O ASN A 15 -12.482 -9.457 -13.427 1.00 98.98 O +ATOM 117 CB ASN A 15 -10.649 -11.774 -14.016 1.00 98.98 C +ATOM 118 CG ASN A 15 -9.780 -12.472 -15.042 1.00 98.98 C +ATOM 119 OD1 ASN A 15 -9.372 -11.872 -16.038 1.00 98.98 O +ATOM 120 ND2 ASN A 15 -9.492 -13.743 -14.802 1.00 98.98 N +ATOM 121 N TYR A 16 -10.979 -9.196 -11.783 1.00 99.00 N +ATOM 122 CA TYR A 16 -11.936 -8.500 -10.923 1.00 99.00 C +ATOM 123 C TYR A 16 -12.137 -7.075 -11.434 1.00 99.00 C +ATOM 124 O TYR A 16 -11.187 -6.402 -11.834 1.00 99.00 O +ATOM 125 CB TYR A 16 -11.496 -8.544 -9.458 1.00 99.00 C +ATOM 126 CG TYR A 16 -11.528 -9.962 -8.927 1.00 99.00 C +ATOM 127 CD1 TYR A 16 -10.371 -10.729 -8.870 1.00 99.00 C +ATOM 128 CD2 TYR A 16 -12.733 -10.550 -8.544 1.00 99.00 C +ATOM 129 CE1 TYR A 16 -10.405 -12.050 -8.426 1.00 99.00 C +ATOM 130 CE2 TYR A 16 -12.781 -11.869 -8.099 1.00 99.00 C +ATOM 131 CZ TYR A 16 -11.614 -12.616 -8.044 1.00 99.00 C +ATOM 132 OH TYR A 16 -11.657 -13.913 -7.610 1.00 99.00 O +ATOM 133 N TYR A 17 -13.397 -6.637 -11.470 1.00 99.00 N +ATOM 134 CA TYR A 17 -13.775 -5.389 -12.133 1.00 99.00 C +ATOM 135 C TYR A 17 -14.636 -4.536 -11.206 1.00 99.00 C +ATOM 136 O TYR A 17 -15.733 -4.943 -10.828 1.00 99.00 O +ATOM 137 CB TYR A 17 -14.519 -5.709 -13.431 1.00 99.00 C +ATOM 138 CG TYR A 17 -14.791 -4.526 -14.327 1.00 99.00 C +ATOM 139 CD1 TYR A 17 -13.755 -3.744 -14.821 1.00 99.00 C +ATOM 140 CD2 TYR A 17 -16.100 -4.211 -14.703 1.00 99.00 C +ATOM 141 CE1 TYR A 17 -14.010 -2.665 -15.661 1.00 99.00 C +ATOM 142 CE2 TYR A 17 -16.360 -3.138 -15.546 1.00 99.00 C +ATOM 143 CZ TYR A 17 -15.318 -2.370 -16.022 1.00 99.00 C +ATOM 144 OH TYR A 17 -15.570 -1.309 -16.859 1.00 99.00 O +ATOM 145 N TYR A 18 -14.126 -3.358 -10.843 1.00 99.00 N +ATOM 146 CA TYR A 18 -14.832 -2.444 -9.938 1.00 99.00 C +ATOM 147 C TYR A 18 -16.031 -1.760 -10.595 1.00 99.00 C +ATOM 148 O TYR A 18 -16.904 -1.260 -9.892 1.00 99.00 O +ATOM 149 CB TYR A 18 -13.873 -1.373 -9.413 1.00 99.00 C +ATOM 150 CG TYR A 18 -13.095 -1.743 -8.162 1.00 99.00 C +ATOM 151 CD1 TYR A 18 -13.211 -0.948 -7.010 1.00 99.00 C +ATOM 152 CD2 TYR A 18 -12.241 -2.836 -8.137 1.00 99.00 C +ATOM 153 CE1 TYR A 18 -12.485 -1.247 -5.864 1.00 99.00 C +ATOM 154 CE2 TYR A 18 -11.513 -3.153 -6.988 1.00 99.00 C +ATOM 155 CZ TYR A 18 -11.637 -2.350 -5.858 1.00 99.00 C +ATOM 156 OH TYR A 18 -10.916 -2.646 -4.728 1.00 99.00 O +ATOM 157 N GLY A 19 -16.067 -1.712 -11.933 1.00 98.99 N +ATOM 158 CA GLY A 19 -17.165 -1.092 -12.668 1.00 98.99 C +ATOM 159 C GLY A 19 -16.683 -0.016 -13.621 1.00 98.99 C +ATOM 160 O GLY A 19 -15.557 0.484 -13.506 1.00 98.99 O +ATOM 161 N GLN A 20 -17.552 0.335 -14.572 1.00 98.91 N +ATOM 162 CA GLN A 20 -17.244 1.318 -15.608 1.00 98.91 C +ATOM 163 C GLN A 20 -16.907 2.665 -14.974 1.00 98.91 C +ATOM 164 O GLN A 20 -17.681 3.184 -14.168 1.00 98.91 O +ATOM 165 CB GLN A 20 -18.423 1.456 -16.574 1.00 98.91 C +ATOM 166 CG GLN A 20 -18.136 2.356 -17.765 1.00 98.91 C +ATOM 167 CD GLN A 20 -19.267 2.404 -18.768 1.00 98.91 C +ATOM 168 OE1 GLN A 20 -20.432 2.175 -18.431 1.00 98.91 O +ATOM 169 NE2 GLN A 20 -18.952 2.711 -20.009 1.00 98.91 N +ATOM 170 N GLY A 21 -15.759 3.201 -15.335 1.00 98.93 N +ATOM 171 CA GLY A 21 -15.329 4.504 -14.845 1.00 98.93 C +ATOM 172 C GLY A 21 -14.628 4.507 -13.501 1.00 98.93 C +ATOM 173 O GLY A 21 -14.067 5.539 -13.119 1.00 98.93 O +ATOM 174 N HIS A 22 -14.647 3.376 -12.779 1.00 98.99 N +ATOM 175 CA HIS A 22 -13.974 3.328 -11.477 1.00 98.99 C +ATOM 176 C HIS A 22 -12.458 3.317 -11.684 1.00 98.99 C +ATOM 177 O HIS A 22 -11.955 2.513 -12.471 1.00 98.99 O +ATOM 178 CB HIS A 22 -14.416 2.113 -10.655 1.00 98.99 C +ATOM 179 CG HIS A 22 -14.091 2.250 -9.195 1.00 98.99 C +ATOM 180 ND1 HIS A 22 -12.812 2.223 -8.704 1.00 98.99 N +ATOM 181 CD2 HIS A 22 -14.912 2.456 -8.130 1.00 98.99 C +ATOM 182 CE1 HIS A 22 -12.849 2.400 -7.390 1.00 98.99 C +ATOM 183 NE2 HIS A 22 -14.118 2.541 -7.015 1.00 98.99 N +ATOM 184 N PRO A 23 -11.728 4.196 -11.007 1.00 98.97 N +ATOM 185 CA PRO A 23 -10.280 4.269 -11.238 1.00 98.97 C +ATOM 186 C PRO A 23 -9.474 3.060 -10.757 1.00 98.97 C +ATOM 187 O PRO A 23 -8.379 2.827 -11.279 1.00 98.97 O +ATOM 188 CB PRO A 23 -9.864 5.550 -10.500 1.00 98.97 C +ATOM 189 CG PRO A 23 -10.943 5.788 -9.497 1.00 98.97 C +ATOM 190 CD PRO A 23 -12.211 5.275 -10.122 1.00 98.97 C +ATOM 191 N MET A 24 -9.980 2.290 -9.787 1.00 99.00 N +ATOM 192 CA MET A 24 -9.246 1.111 -9.305 1.00 99.00 C +ATOM 193 C MET A 24 -9.402 -0.029 -10.299 1.00 99.00 C +ATOM 194 O MET A 24 -10.512 -0.496 -10.551 1.00 99.00 O +ATOM 195 CB MET A 24 -9.737 0.676 -7.921 1.00 99.00 C +ATOM 196 CG MET A 24 -9.068 -0.606 -7.399 1.00 99.00 C +ATOM 197 SD MET A 24 -7.283 -0.511 -7.251 1.00 99.00 S +ATOM 198 CE MET A 24 -7.151 0.419 -5.739 1.00 99.00 C +ATOM 199 N LYS A 25 -8.283 -0.485 -10.854 1.00 99.00 N +ATOM 200 CA LYS A 25 -8.278 -1.520 -11.890 1.00 99.00 C +ATOM 201 C LYS A 25 -7.326 -2.652 -11.506 1.00 99.00 C +ATOM 202 O LYS A 25 -6.119 -2.540 -11.723 1.00 99.00 O +ATOM 203 CB LYS A 25 -7.901 -0.912 -13.246 1.00 99.00 C +ATOM 204 CG LYS A 25 -8.897 0.162 -13.693 1.00 99.00 C +ATOM 205 CD LYS A 25 -8.545 0.772 -15.030 1.00 99.00 C +ATOM 206 CE LYS A 25 -9.545 1.868 -15.396 1.00 99.00 C +ATOM 207 NZ LYS A 25 -10.937 1.354 -15.540 1.00 99.00 N +ATOM 208 N PRO A 26 -7.866 -3.748 -10.947 1.00 99.00 N +ATOM 209 CA PRO A 26 -6.997 -4.886 -10.597 1.00 99.00 C +ATOM 210 C PRO A 26 -6.187 -5.441 -11.768 1.00 99.00 C +ATOM 211 O PRO A 26 -5.159 -6.089 -11.544 1.00 99.00 O +ATOM 212 CB PRO A 26 -7.989 -5.918 -10.039 1.00 99.00 C +ATOM 213 CG PRO A 26 -9.091 -5.073 -9.469 1.00 99.00 C +ATOM 214 CD PRO A 26 -9.235 -3.943 -10.454 1.00 99.00 C +ATOM 215 N HIS A 27 -6.601 -5.158 -12.998 1.00 99.00 N +ATOM 216 CA HIS A 27 -5.838 -5.494 -14.203 1.00 99.00 C +ATOM 217 C HIS A 27 -4.384 -5.008 -14.120 1.00 99.00 C +ATOM 218 O HIS A 27 -3.487 -5.631 -14.699 1.00 99.00 O +ATOM 219 CB HIS A 27 -6.541 -4.886 -15.425 1.00 99.00 C +ATOM 220 CG HIS A 27 -5.887 -5.184 -16.725 1.00 99.00 C +ATOM 221 ND1 HIS A 27 -5.607 -6.472 -17.152 1.00 99.00 N +ATOM 222 CD2 HIS A 27 -5.452 -4.360 -17.710 1.00 99.00 C +ATOM 223 CE1 HIS A 27 -5.040 -6.410 -18.337 1.00 99.00 C +ATOM 224 NE2 HIS A 27 -4.923 -5.143 -18.705 1.00 99.00 N +ATOM 225 N ARG A 28 -4.140 -3.903 -13.394 1.00 99.00 N +ATOM 226 CA ARG A 28 -2.786 -3.356 -13.260 1.00 99.00 C +ATOM 227 C ARG A 28 -1.827 -4.343 -12.594 1.00 99.00 C +ATOM 228 O ARG A 28 -0.621 -4.287 -12.840 1.00 99.00 O +ATOM 229 CB ARG A 28 -2.813 -2.015 -12.505 1.00 99.00 C +ATOM 230 CG ARG A 28 -3.025 -2.122 -11.025 1.00 99.00 C +ATOM 231 CD ARG A 28 -3.738 -0.926 -10.375 1.00 99.00 C +ATOM 232 NE ARG A 28 -4.140 -1.363 -9.040 1.00 99.00 N +ATOM 233 CZ ARG A 28 -3.734 -0.806 -7.905 1.00 99.00 C +ATOM 234 NH1 ARG A 28 -2.953 0.276 -7.883 1.00 99.00 N +ATOM 235 NH2 ARG A 28 -4.126 -1.357 -6.756 1.00 99.00 N +ATOM 236 N ILE A 29 -2.337 -5.256 -11.745 1.00 98.96 N +ATOM 237 CA ILE A 29 -1.526 -6.293 -11.089 1.00 98.96 C +ATOM 238 C ILE A 29 -1.076 -7.313 -12.130 1.00 98.96 C +ATOM 239 O ILE A 29 0.078 -7.747 -12.123 1.00 98.96 O +ATOM 240 CB ILE A 29 -2.310 -6.998 -9.950 1.00 98.96 C +ATOM 241 CG1 ILE A 29 -2.977 -5.989 -9.003 1.00 98.96 C +ATOM 242 CG2 ILE A 29 -1.393 -7.962 -9.186 1.00 98.96 C +ATOM 243 CD1 ILE A 29 -2.048 -4.991 -8.351 1.00 98.96 C +ATOM 244 N ARG A 30 -1.982 -7.685 -13.041 1.00 98.99 N +ATOM 245 CA ARG A 30 -1.647 -8.604 -14.136 1.00 98.99 C +ATOM 246 C ARG A 30 -0.634 -7.965 -15.090 1.00 98.99 C +ATOM 247 O ARG A 30 0.295 -8.643 -15.549 1.00 98.99 O +ATOM 248 CB ARG A 30 -2.916 -9.029 -14.882 1.00 98.99 C +ATOM 249 CG ARG A 30 -2.653 -9.977 -16.048 1.00 98.99 C +ATOM 250 CD ARG A 30 -3.919 -10.716 -16.470 1.00 98.99 C +ATOM 251 NE ARG A 30 -5.022 -9.810 -16.750 1.00 98.99 N +ATOM 252 CZ ARG A 30 -6.307 -10.173 -16.766 1.00 98.99 C +ATOM 253 NH1 ARG A 30 -6.656 -11.434 -16.547 1.00 98.99 N +ATOM 254 NH2 ARG A 30 -7.246 -9.268 -17.020 1.00 98.99 N +ATOM 255 N MET A 31 -0.798 -6.675 -15.372 1.00 99.00 N +ATOM 256 CA MET A 31 0.164 -5.941 -16.205 1.00 99.00 C +ATOM 257 C MET A 31 1.561 -5.965 -15.573 1.00 99.00 C +ATOM 258 O MET A 31 2.557 -6.191 -16.263 1.00 99.00 O +ATOM 259 CB MET A 31 -0.272 -4.488 -16.398 1.00 99.00 C +ATOM 260 CG MET A 31 -1.497 -4.324 -17.270 1.00 99.00 C +ATOM 261 SD MET A 31 -2.043 -2.603 -17.328 1.00 99.00 S +ATOM 262 CE MET A 31 -0.621 -1.803 -18.056 1.00 99.00 C +ATOM 263 N THR A 32 1.609 -5.715 -14.269 1.00 99.00 N +ATOM 264 CA THR A 32 2.864 -5.749 -13.516 1.00 99.00 C +ATOM 265 C THR A 32 3.508 -7.130 -13.619 1.00 99.00 C +ATOM 266 O THR A 32 4.697 -7.250 -13.932 1.00 99.00 O +ATOM 267 CB THR A 32 2.618 -5.396 -12.039 1.00 99.00 C +ATOM 268 OG1 THR A 32 2.046 -4.092 -11.960 1.00 99.00 O +ATOM 269 CG2 THR A 32 3.905 -5.445 -11.222 1.00 99.00 C +ATOM 270 N HIS A 33 2.713 -8.167 -13.363 1.00 99.00 N +ATOM 271 CA HIS A 33 3.202 -9.545 -13.396 1.00 99.00 C +ATOM 272 C HIS A 33 3.752 -9.904 -14.776 1.00 99.00 C +ATOM 273 O HIS A 33 4.850 -10.457 -14.881 1.00 99.00 O +ATOM 274 CB HIS A 33 2.077 -10.509 -13.001 1.00 99.00 C +ATOM 275 CG HIS A 33 2.518 -11.928 -12.897 1.00 99.00 C +ATOM 276 ND1 HIS A 33 3.320 -12.381 -11.870 1.00 99.00 N +ATOM 277 CD2 HIS A 33 2.275 -12.995 -13.695 1.00 99.00 C +ATOM 278 CE1 HIS A 33 3.549 -13.670 -12.041 1.00 99.00 C +ATOM 279 NE2 HIS A 33 2.922 -14.071 -13.147 1.00 99.00 N +ATOM 280 N ASN A 34 2.997 -9.573 -15.827 1.00 99.00 N +ATOM 281 CA ASN A 34 3.423 -9.910 -17.185 1.00 99.00 C +ATOM 282 C ASN A 34 4.711 -9.182 -17.570 1.00 99.00 C +ATOM 283 O ASN A 34 5.589 -9.771 -18.206 1.00 99.00 O +ATOM 284 CB ASN A 34 2.312 -9.618 -18.193 1.00 99.00 C +ATOM 285 CG ASN A 34 2.626 -10.206 -19.549 1.00 99.00 C +ATOM 286 OD1 ASN A 34 2.930 -9.481 -20.495 1.00 99.00 O +ATOM 287 ND2 ASN A 34 2.580 -11.531 -19.650 1.00 99.00 N +ATOM 288 N LEU A 35 4.833 -7.926 -17.165 1.00 99.00 N +ATOM 289 CA LEU A 35 6.035 -7.149 -17.472 1.00 99.00 C +ATOM 290 C LEU A 35 7.256 -7.736 -16.766 1.00 99.00 C +ATOM 291 O LEU A 35 8.309 -7.910 -17.387 1.00 99.00 O +ATOM 292 CB LEU A 35 5.831 -5.672 -17.113 1.00 99.00 C +ATOM 293 CG LEU A 35 6.949 -4.714 -17.528 1.00 99.00 C +ATOM 294 CD1 LEU A 35 7.242 -4.806 -19.025 1.00 99.00 C +ATOM 295 CD2 LEU A 35 6.579 -3.283 -17.155 1.00 99.00 C +ATOM 296 N LEU A 36 7.131 -8.059 -15.482 1.00 98.54 N +ATOM 297 CA LEU A 36 8.292 -8.603 -14.773 1.00 98.54 C +ATOM 298 C LEU A 36 8.644 -10.028 -15.226 1.00 98.54 C +ATOM 299 O LEU A 36 9.828 -10.394 -15.198 1.00 98.54 O +ATOM 300 CB LEU A 36 8.166 -8.448 -13.243 1.00 98.54 C +ATOM 301 CG LEU A 36 7.065 -9.163 -12.473 1.00 98.54 C +ATOM 302 CD1 LEU A 36 7.509 -10.587 -12.117 1.00 98.54 C +ATOM 303 CD2 LEU A 36 6.758 -8.381 -11.191 1.00 98.54 C +ATOM 304 N LEU A 37 7.659 -10.801 -15.709 1.00 99.00 N +ATOM 305 CA LEU A 37 7.962 -12.092 -16.331 1.00 99.00 C +ATOM 306 C LEU A 37 8.810 -11.891 -17.583 1.00 99.00 C +ATOM 307 O LEU A 37 9.780 -12.619 -17.804 1.00 99.00 O +ATOM 308 CB LEU A 37 6.687 -12.859 -16.694 1.00 99.00 C +ATOM 309 CG LEU A 37 5.874 -13.493 -15.562 1.00 99.00 C +ATOM 310 CD1 LEU A 37 4.718 -14.295 -16.148 1.00 99.00 C +ATOM 311 CD2 LEU A 37 6.737 -14.375 -14.662 1.00 99.00 C +ATOM 312 N ASN A 38 8.440 -10.894 -18.396 1.00 99.00 N +ATOM 313 CA ASN A 38 9.144 -10.649 -19.652 1.00 99.00 C +ATOM 314 C ASN A 38 10.510 -9.986 -19.464 1.00 99.00 C +ATOM 315 O ASN A 38 11.338 -10.033 -20.373 1.00 99.00 O +ATOM 316 CB ASN A 38 8.244 -9.882 -20.621 1.00 99.00 C +ATOM 317 CG ASN A 38 7.219 -10.807 -21.244 1.00 99.00 C +ATOM 318 OD1 ASN A 38 7.560 -11.632 -22.087 1.00 99.00 O +ATOM 319 ND2 ASN A 38 5.972 -10.707 -20.811 1.00 99.00 N +ATOM 320 N TYR A 39 10.761 -9.404 -18.289 1.00 99.00 N +ATOM 321 CA TYR A 39 12.104 -8.976 -17.894 1.00 99.00 C +ATOM 322 C TYR A 39 12.944 -10.142 -17.353 1.00 99.00 C +ATOM 323 O TYR A 39 14.124 -9.958 -17.069 1.00 99.00 O +ATOM 324 CB TYR A 39 12.028 -7.872 -16.841 1.00 99.00 C +ATOM 325 CG TYR A 39 12.060 -6.457 -17.382 1.00 99.00 C +ATOM 326 CD1 TYR A 39 13.214 -5.948 -17.974 1.00 99.00 C +ATOM 327 CD2 TYR A 39 10.946 -5.625 -17.255 1.00 99.00 C +ATOM 328 CE1 TYR A 39 13.254 -4.632 -18.441 1.00 99.00 C +ATOM 329 CE2 TYR A 39 10.982 -4.311 -17.718 1.00 99.00 C +ATOM 330 CZ TYR A 39 12.138 -3.816 -18.309 1.00 99.00 C +ATOM 331 OH TYR A 39 12.180 -2.519 -18.753 1.00 99.00 O +ATOM 332 N GLY A 40 12.324 -11.317 -17.185 1.00 99.00 N +ATOM 333 CA GLY A 40 13.024 -12.498 -16.693 1.00 99.00 C +ATOM 334 C GLY A 40 13.226 -12.530 -15.186 1.00 99.00 C +ATOM 335 O GLY A 40 14.026 -13.329 -14.693 1.00 99.00 O +ATOM 336 N LEU A 41 12.497 -11.693 -14.449 1.00 99.00 N +ATOM 337 CA LEU A 41 12.690 -11.597 -13.000 1.00 99.00 C +ATOM 338 C LEU A 41 12.229 -12.849 -12.249 1.00 99.00 C +ATOM 339 O LEU A 41 12.669 -13.080 -11.121 1.00 99.00 O +ATOM 340 CB LEU A 41 12.019 -10.335 -12.449 1.00 99.00 C +ATOM 341 CG LEU A 41 12.606 -9.013 -12.960 1.00 99.00 C +ATOM 342 CD1 LEU A 41 11.792 -7.831 -12.450 1.00 99.00 C +ATOM 343 CD2 LEU A 41 14.068 -8.858 -12.554 1.00 99.00 C +ATOM 344 N TYR A 42 11.375 -13.676 -12.878 1.00 98.98 N +ATOM 345 CA TYR A 42 10.952 -14.954 -12.289 1.00 98.98 C +ATOM 346 C TYR A 42 12.129 -15.902 -12.043 1.00 98.98 C +ATOM 347 O TYR A 42 12.015 -16.815 -11.219 1.00 98.98 O +ATOM 348 CB TYR A 42 9.905 -15.648 -13.185 1.00 98.98 C +ATOM 349 CG TYR A 42 10.438 -16.073 -14.538 1.00 98.98 C +ATOM 350 CD1 TYR A 42 10.958 -17.353 -14.726 1.00 98.98 C +ATOM 351 CD2 TYR A 42 10.429 -15.190 -15.619 1.00 98.98 C +ATOM 352 CE1 TYR A 42 11.459 -17.748 -15.966 1.00 98.98 C +ATOM 353 CE2 TYR A 42 10.927 -15.575 -16.864 1.00 98.98 C +ATOM 354 CZ TYR A 42 11.441 -16.856 -17.029 1.00 98.98 C +ATOM 355 OH TYR A 42 11.930 -17.240 -18.244 1.00 98.98 O +ATOM 356 N ARG A 43 13.246 -15.699 -12.758 1.00 98.74 N +ATOM 357 CA ARG A 43 14.448 -16.524 -12.587 1.00 98.74 C +ATOM 358 C ARG A 43 15.127 -16.273 -11.245 1.00 98.74 C +ATOM 359 O ARG A 43 15.955 -17.085 -10.819 1.00 98.74 O +ATOM 360 CB ARG A 43 15.453 -16.249 -13.711 1.00 98.74 C +ATOM 361 CG ARG A 43 14.947 -16.555 -15.111 1.00 98.74 C +ATOM 362 CD ARG A 43 16.082 -16.483 -16.137 1.00 98.74 C +ATOM 363 NE ARG A 43 16.694 -15.158 -16.231 1.00 98.74 N +ATOM 364 CZ ARG A 43 16.437 -14.255 -17.180 1.00 98.74 C +ATOM 365 NH1 ARG A 43 15.579 -14.528 -18.151 1.00 98.74 N +ATOM 366 NH2 ARG A 43 17.057 -13.078 -17.159 1.00 98.74 N +ATOM 367 N LYS A 44 14.797 -15.152 -10.591 1.00 98.62 N +ATOM 368 CA LYS A 44 15.520 -14.675 -9.409 1.00 98.62 C +ATOM 369 C LYS A 44 14.730 -14.786 -8.106 1.00 98.62 C +ATOM 370 O LYS A 44 15.294 -14.509 -7.042 1.00 98.62 O +ATOM 371 CB LYS A 44 15.943 -13.211 -9.594 1.00 98.62 C +ATOM 372 CG LYS A 44 16.492 -12.858 -10.951 1.00 98.62 C +ATOM 373 CD LYS A 44 18.001 -12.786 -10.980 1.00 98.62 C +ATOM 374 CE LYS A 44 18.493 -12.357 -12.343 1.00 98.62 C +ATOM 375 NZ LYS A 44 19.634 -11.434 -12.284 1.00 98.62 N +ATOM 376 N MET A 45 13.455 -15.151 -8.164 1.00 94.74 N +ATOM 377 CA MET A 45 12.642 -15.191 -6.952 1.00 94.74 C +ATOM 378 C MET A 45 11.678 -16.364 -6.980 1.00 94.74 C +ATOM 379 O MET A 45 11.389 -16.926 -8.038 1.00 94.74 O +ATOM 380 CB MET A 45 11.874 -13.881 -6.757 1.00 94.74 C +ATOM 381 CG MET A 45 10.938 -13.537 -7.877 1.00 94.74 C +ATOM 382 SD MET A 45 10.145 -11.951 -7.598 1.00 94.74 S +ATOM 383 CE MET A 45 9.251 -11.811 -9.108 1.00 94.74 C +ATOM 384 N GLU A 46 11.202 -16.738 -5.808 1.00 98.96 N +ATOM 385 CA GLU A 46 10.203 -17.789 -5.666 1.00 98.96 C +ATOM 386 C GLU A 46 8.818 -17.169 -5.801 1.00 98.96 C +ATOM 387 O GLU A 46 8.491 -16.223 -5.084 1.00 98.96 O +ATOM 388 CB GLU A 46 10.363 -18.507 -4.329 1.00 98.96 C +ATOM 389 CG GLU A 46 11.673 -19.279 -4.257 1.00 98.96 C +ATOM 390 CD GLU A 46 11.879 -20.053 -2.981 1.00 98.96 C +ATOM 391 OE1 GLU A 46 11.159 -19.804 -1.990 1.00 98.96 O +ATOM 392 OE2 GLU A 46 12.775 -20.918 -2.962 1.00 98.96 O +ATOM 393 N ILE A 47 8.020 -17.698 -6.730 1.00 98.99 N +ATOM 394 CA ILE A 47 6.680 -17.186 -6.996 1.00 98.99 C +ATOM 395 C ILE A 47 5.662 -18.147 -6.391 1.00 98.99 C +ATOM 396 O ILE A 47 5.712 -19.351 -6.643 1.00 98.99 O +ATOM 397 CB ILE A 47 6.454 -16.960 -8.507 1.00 98.99 C +ATOM 398 CG1 ILE A 47 7.414 -15.869 -9.005 1.00 98.99 C +ATOM 399 CG2 ILE A 47 4.990 -16.606 -8.797 1.00 98.99 C +ATOM 400 CD1 ILE A 47 7.400 -15.655 -10.505 1.00 98.99 C +ATOM 401 N TYR A 48 4.766 -17.605 -5.588 1.00 99.00 N +ATOM 402 CA TYR A 48 3.731 -18.376 -4.907 1.00 99.00 C +ATOM 403 C TYR A 48 2.346 -17.866 -5.277 1.00 99.00 C +ATOM 404 O TYR A 48 2.152 -16.666 -5.462 1.00 99.00 O +ATOM 405 CB TYR A 48 3.886 -18.275 -3.388 1.00 99.00 C +ATOM 406 CG TYR A 48 5.131 -18.917 -2.828 1.00 99.00 C +ATOM 407 CD1 TYR A 48 5.131 -20.253 -2.440 1.00 99.00 C +ATOM 408 CD2 TYR A 48 6.299 -18.180 -2.664 1.00 99.00 C +ATOM 409 CE1 TYR A 48 6.269 -20.841 -1.904 1.00 99.00 C +ATOM 410 CE2 TYR A 48 7.443 -18.763 -2.128 1.00 99.00 C +ATOM 411 CZ TYR A 48 7.422 -20.091 -1.749 1.00 99.00 C +ATOM 412 OH TYR A 48 8.545 -20.666 -1.213 1.00 99.00 O +ATOM 413 N ARG A 49 1.394 -18.784 -5.337 1.00 99.00 N +ATOM 414 CA ARG A 49 -0.012 -18.422 -5.461 1.00 99.00 C +ATOM 415 C ARG A 49 -0.590 -18.351 -4.051 1.00 99.00 C +ATOM 416 O ARG A 49 -0.534 -19.347 -3.324 1.00 99.00 O +ATOM 417 CB ARG A 49 -0.761 -19.449 -6.297 1.00 99.00 C +ATOM 418 CG ARG A 49 -2.170 -19.018 -6.657 1.00 99.00 C +ATOM 419 CD ARG A 49 -2.794 -19.988 -7.646 1.00 99.00 C +ATOM 420 NE ARG A 49 -3.900 -19.372 -8.359 1.00 99.00 N +ATOM 421 CZ ARG A 49 -4.454 -19.852 -9.467 1.00 99.00 C +ATOM 422 NH1 ARG A 49 -4.028 -20.998 -9.987 1.00 99.00 N +ATOM 423 NH2 ARG A 49 -5.436 -19.193 -10.060 1.00 99.00 N +ATOM 424 N PRO A 50 -1.122 -17.188 -3.643 1.00 98.97 N +ATOM 425 CA PRO A 50 -1.650 -17.091 -2.282 1.00 98.97 C +ATOM 426 C PRO A 50 -2.897 -17.946 -2.090 1.00 98.97 C +ATOM 427 O PRO A 50 -3.656 -18.172 -3.035 1.00 98.97 O +ATOM 428 CB PRO A 50 -1.983 -15.604 -2.137 1.00 98.97 C +ATOM 429 CG PRO A 50 -2.278 -15.157 -3.531 1.00 98.97 C +ATOM 430 CD PRO A 50 -1.318 -15.935 -4.396 1.00 98.97 C +ATOM 431 N HIS A 51 -3.098 -18.406 -0.855 1.00 98.95 N +ATOM 432 CA HIS A 51 -4.368 -19.030 -0.495 1.00 98.95 C +ATOM 433 C HIS A 51 -5.446 -17.953 -0.441 1.00 98.95 C +ATOM 434 O HIS A 51 -5.143 -16.756 -0.371 1.00 98.95 O +ATOM 435 CB HIS A 51 -4.256 -19.739 0.861 1.00 98.95 C +ATOM 436 CG HIS A 51 -4.073 -18.798 2.012 1.00 98.95 C +ATOM 437 ND1 HIS A 51 -2.888 -18.140 2.256 1.00 98.95 N +ATOM 438 CD2 HIS A 51 -4.932 -18.379 2.973 1.00 98.95 C +ATOM 439 CE1 HIS A 51 -3.023 -17.367 3.320 1.00 98.95 C +ATOM 440 NE2 HIS A 51 -4.263 -17.490 3.778 1.00 98.95 N +ATOM 441 N LYS A 52 -6.697 -18.383 -0.473 1.00 98.99 N +ATOM 442 CA LYS A 52 -7.809 -17.466 -0.238 1.00 98.99 C +ATOM 443 C LYS A 52 -8.015 -17.353 1.270 1.00 98.99 C +ATOM 444 O LYS A 52 -8.437 -18.319 1.905 1.00 98.99 O +ATOM 445 CB LYS A 52 -9.073 -17.951 -0.945 1.00 98.99 C +ATOM 446 CG LYS A 52 -8.992 -17.821 -2.459 1.00 98.99 C +ATOM 447 CD LYS A 52 -10.287 -18.233 -3.129 1.00 98.99 C +ATOM 448 CE LYS A 52 -10.252 -17.923 -4.618 1.00 98.99 C +ATOM 449 NZ LYS A 52 -11.529 -18.299 -5.284 1.00 98.99 N +ATOM 450 N ALA A 53 -7.683 -16.199 1.832 1.00 99.00 N +ATOM 451 CA ALA A 53 -7.855 -15.955 3.262 1.00 99.00 C +ATOM 452 C ALA A 53 -9.311 -16.211 3.654 1.00 99.00 C +ATOM 453 O ALA A 53 -10.228 -15.819 2.929 1.00 99.00 O +ATOM 454 CB ALA A 53 -7.454 -14.530 3.614 1.00 99.00 C +ATOM 455 N THR A 54 -9.511 -16.878 4.790 1.00 98.96 N +ATOM 456 CA THR A 54 -10.859 -17.218 5.240 1.00 98.96 C +ATOM 457 C THR A 54 -11.462 -16.077 6.051 1.00 98.96 C +ATOM 458 O THR A 54 -10.759 -15.166 6.495 1.00 98.96 O +ATOM 459 CB THR A 54 -10.845 -18.493 6.098 1.00 98.96 C +ATOM 460 OG1 THR A 54 -10.104 -18.236 7.300 1.00 98.96 O +ATOM 461 CG2 THR A 54 -10.223 -19.667 5.347 1.00 98.96 C +ATOM 462 N ALA A 55 -12.779 -16.143 6.265 1.00 98.11 N +ATOM 463 CA ALA A 55 -13.456 -15.181 7.135 1.00 98.11 C +ATOM 464 C ALA A 55 -12.838 -15.191 8.533 1.00 98.11 C +ATOM 465 O ALA A 55 -12.708 -14.138 9.162 1.00 98.11 O +ATOM 466 CB ALA A 55 -14.951 -15.474 7.193 1.00 98.11 C +ATOM 467 N GLU A 56 -12.437 -16.374 8.995 1.00 98.53 N +ATOM 468 CA GLU A 56 -11.794 -16.529 10.302 1.00 98.53 C +ATOM 469 C GLU A 56 -10.472 -15.760 10.368 1.00 98.53 C +ATOM 470 O GLU A 56 -10.190 -15.091 11.367 1.00 98.53 O +ATOM 471 CB GLU A 56 -11.578 -18.013 10.599 1.00 98.53 C +ATOM 472 CG GLU A 56 -11.221 -18.335 12.036 1.00 98.53 C +ATOM 473 CD GLU A 56 -11.319 -19.818 12.330 1.00 98.53 C +ATOM 474 OE1 GLU A 56 -10.435 -20.571 11.876 1.00 98.53 O +ATOM 475 OE2 GLU A 56 -12.292 -20.230 12.995 1.00 98.53 O +ATOM 476 N GLU A 57 -9.669 -15.844 9.309 1.00 98.95 N +ATOM 477 CA GLU A 57 -8.420 -15.078 9.227 1.00 98.95 C +ATOM 478 C GLU A 57 -8.704 -13.577 9.233 1.00 98.95 C +ATOM 479 O GLU A 57 -7.993 -12.809 9.890 1.00 98.95 O +ATOM 480 CB GLU A 57 -7.631 -15.445 7.968 1.00 98.95 C +ATOM 481 CG GLU A 57 -7.035 -16.842 7.984 1.00 98.95 C +ATOM 482 CD GLU A 57 -6.364 -17.178 6.663 1.00 98.95 C +ATOM 483 OE1 GLU A 57 -5.186 -16.798 6.487 1.00 98.95 O +ATOM 484 OE2 GLU A 57 -7.013 -17.806 5.804 1.00 98.95 O +ATOM 485 N MET A 58 -9.747 -13.157 8.511 1.00 99.00 N +ATOM 486 CA MET A 58 -10.093 -11.740 8.408 1.00 99.00 C +ATOM 487 C MET A 58 -10.613 -11.167 9.723 1.00 99.00 C +ATOM 488 O MET A 58 -10.373 -9.994 10.028 1.00 99.00 O +ATOM 489 CB MET A 58 -11.119 -11.520 7.300 1.00 99.00 C +ATOM 490 CG MET A 58 -10.572 -11.790 5.912 1.00 99.00 C +ATOM 491 SD MET A 58 -11.847 -11.592 4.673 1.00 99.00 S +ATOM 492 CE MET A 58 -10.971 -12.119 3.213 1.00 99.00 C +ATOM 493 N THR A 59 -11.316 -11.996 10.527 1.00 98.99 N +ATOM 494 CA THR A 59 -11.879 -11.530 11.796 1.00 98.99 C +ATOM 495 C THR A 59 -10.838 -11.450 12.918 1.00 98.99 C +ATOM 496 O THR A 59 -11.185 -11.113 14.048 1.00 98.99 O +ATOM 497 CB THR A 59 -13.104 -12.355 12.228 1.00 98.99 C +ATOM 498 OG1 THR A 59 -12.759 -13.732 12.303 1.00 98.99 O +ATOM 499 CG2 THR A 59 -14.267 -12.166 11.256 1.00 98.99 C +ATOM 500 N LYS A 60 -9.569 -11.702 12.617 1.00 98.99 N +ATOM 501 CA LYS A 60 -8.497 -11.365 13.556 1.00 98.99 C +ATOM 502 C LYS A 60 -8.421 -9.847 13.744 1.00 98.99 C +ATOM 503 O LYS A 60 -7.857 -9.385 14.734 1.00 98.99 O +ATOM 504 CB LYS A 60 -7.151 -11.927 13.082 1.00 98.99 C +ATOM 505 CG LYS A 60 -7.083 -13.456 13.040 1.00 98.99 C +ATOM 506 CD LYS A 60 -7.277 -14.083 14.417 1.00 98.99 C +ATOM 507 CE LYS A 60 -7.150 -15.599 14.352 1.00 98.99 C +ATOM 508 NZ LYS A 60 -7.442 -16.225 15.669 1.00 98.99 N +ATOM 509 N TYR A 61 -8.972 -9.080 12.803 1.00 99.00 N +ATOM 510 CA TYR A 61 -9.085 -7.629 12.941 1.00 99.00 C +ATOM 511 C TYR A 61 -10.516 -7.139 12.736 1.00 99.00 C +ATOM 512 O TYR A 61 -11.046 -6.415 13.590 1.00 99.00 O +ATOM 513 CB TYR A 61 -8.144 -6.900 11.974 1.00 99.00 C +ATOM 514 CG TYR A 61 -8.331 -5.399 12.026 1.00 99.00 C +ATOM 515 CD1 TYR A 61 -8.765 -4.688 10.915 1.00 99.00 C +ATOM 516 CD2 TYR A 61 -8.122 -4.701 13.214 1.00 99.00 C +ATOM 517 CE1 TYR A 61 -8.972 -3.312 10.971 1.00 99.00 C +ATOM 518 CE2 TYR A 61 -8.324 -3.324 13.281 1.00 99.00 C +ATOM 519 CZ TYR A 61 -8.752 -2.635 12.156 1.00 99.00 C +ATOM 520 OH TYR A 61 -8.962 -1.277 12.223 1.00 99.00 O +ATOM 521 N HIS A 62 -11.159 -7.524 11.625 1.00 99.00 N +ATOM 522 CA HIS A 62 -12.470 -7.009 11.253 1.00 99.00 C +ATOM 523 C HIS A 62 -13.573 -7.620 12.107 1.00 99.00 C +ATOM 524 O HIS A 62 -13.427 -8.725 12.636 1.00 99.00 O +ATOM 525 CB HIS A 62 -12.746 -7.260 9.771 1.00 99.00 C +ATOM 526 CG HIS A 62 -11.825 -6.506 8.872 1.00 99.00 C +ATOM 527 ND1 HIS A 62 -11.985 -5.165 8.593 1.00 99.00 N +ATOM 528 CD2 HIS A 62 -10.718 -6.911 8.197 1.00 99.00 C +ATOM 529 CE1 HIS A 62 -11.010 -4.780 7.783 1.00 99.00 C +ATOM 530 NE2 HIS A 62 -10.228 -5.820 7.522 1.00 99.00 N +ATOM 531 N SER A 63 -14.696 -6.899 12.226 1.00 98.99 N +ATOM 532 CA SER A 63 -15.845 -7.400 12.978 1.00 98.99 C +ATOM 533 C SER A 63 -16.504 -8.560 12.232 1.00 98.99 C +ATOM 534 O SER A 63 -16.476 -8.611 10.997 1.00 98.99 O +ATOM 535 CB SER A 63 -16.862 -6.293 13.231 1.00 98.99 C +ATOM 536 OG SER A 63 -17.535 -5.939 12.034 1.00 98.99 O +ATOM 537 N ASP A 64 -17.097 -9.479 12.986 1.00 98.98 N +ATOM 538 CA ASP A 64 -17.817 -10.619 12.411 1.00 98.98 C +ATOM 539 C ASP A 64 -18.938 -10.159 11.488 1.00 98.98 C +ATOM 540 O ASP A 64 -19.143 -10.741 10.423 1.00 98.98 O +ATOM 541 CB ASP A 64 -18.399 -11.507 13.517 1.00 98.98 C +ATOM 542 CG ASP A 64 -17.355 -12.203 14.364 1.00 98.98 C +ATOM 543 OD1 ASP A 64 -16.192 -12.330 13.917 1.00 98.98 O +ATOM 544 OD2 ASP A 64 -17.706 -12.632 15.484 1.00 98.98 O +ATOM 545 N GLU A 65 -19.658 -9.112 11.888 1.00 98.96 N +ATOM 546 CA GLU A 65 -20.807 -8.599 11.135 1.00 98.96 C +ATOM 547 C GLU A 65 -20.380 -8.045 9.783 1.00 98.96 C +ATOM 548 O GLU A 65 -21.062 -8.264 8.778 1.00 98.96 O +ATOM 549 CB GLU A 65 -21.548 -7.513 11.932 1.00 98.96 C +ATOM 550 CG GLU A 65 -21.837 -7.883 13.384 1.00 98.96 C +ATOM 551 CD GLU A 65 -20.639 -7.707 14.312 1.00 98.96 C +ATOM 552 OE1 GLU A 65 -20.165 -6.558 14.467 1.00 98.96 O +ATOM 553 OE2 GLU A 65 -20.167 -8.715 14.888 1.00 98.96 O +ATOM 554 N TYR A 66 -19.260 -7.320 9.745 1.00 99.00 N +ATOM 555 CA TYR A 66 -18.732 -6.744 8.508 1.00 99.00 C +ATOM 556 C TYR A 66 -18.266 -7.838 7.549 1.00 99.00 C +ATOM 557 O TYR A 66 -18.609 -7.809 6.365 1.00 99.00 O +ATOM 558 CB TYR A 66 -17.600 -5.764 8.826 1.00 99.00 C +ATOM 559 CG TYR A 66 -16.937 -5.152 7.610 1.00 99.00 C +ATOM 560 CD1 TYR A 66 -17.693 -4.571 6.600 1.00 99.00 C +ATOM 561 CD2 TYR A 66 -15.548 -5.152 7.491 1.00 99.00 C +ATOM 562 CE1 TYR A 66 -17.078 -4.002 5.483 1.00 99.00 C +ATOM 563 CE2 TYR A 66 -14.928 -4.582 6.383 1.00 99.00 C +ATOM 564 CZ TYR A 66 -15.691 -4.009 5.382 1.00 99.00 C +ATOM 565 OH TYR A 66 -15.080 -3.456 4.292 1.00 99.00 O +ATOM 566 N ILE A 67 -17.509 -8.810 8.048 1.00 99.00 N +ATOM 567 CA ILE A 67 -17.011 -9.892 7.189 1.00 99.00 C +ATOM 568 C ILE A 67 -18.165 -10.758 6.675 1.00 99.00 C +ATOM 569 O ILE A 67 -18.163 -11.148 5.502 1.00 99.00 O +ATOM 570 CB ILE A 67 -15.921 -10.723 7.908 1.00 99.00 C +ATOM 571 CG1 ILE A 67 -14.684 -9.856 8.194 1.00 99.00 C +ATOM 572 CG2 ILE A 67 -15.550 -11.967 7.103 1.00 99.00 C +ATOM 573 CD1 ILE A 67 -14.038 -9.200 6.974 1.00 99.00 C +ATOM 574 N LYS A 68 -19.161 -11.027 7.516 1.00 98.98 N +ATOM 575 CA LYS A 68 -20.360 -11.754 7.086 1.00 98.98 C +ATOM 576 C LYS A 68 -21.057 -11.017 5.940 1.00 98.98 C +ATOM 577 O LYS A 68 -21.490 -11.644 4.973 1.00 98.98 O +ATOM 578 CB LYS A 68 -21.320 -11.969 8.259 1.00 98.98 C +ATOM 579 CG LYS A 68 -22.545 -12.797 7.903 1.00 98.98 C +ATOM 580 CD LYS A 68 -23.449 -13.024 9.103 1.00 98.98 C +ATOM 581 CE LYS A 68 -24.667 -13.844 8.735 1.00 98.98 C +ATOM 582 NZ LYS A 68 -25.543 -14.094 9.912 1.00 98.98 N +ATOM 583 N PHE A 69 -21.145 -9.690 6.038 1.00 98.99 N +ATOM 584 CA PHE A 69 -21.729 -8.860 4.984 1.00 98.99 C +ATOM 585 C PHE A 69 -20.937 -8.977 3.676 1.00 98.99 C +ATOM 586 O PHE A 69 -21.525 -9.187 2.616 1.00 98.99 O +ATOM 587 CB PHE A 69 -21.817 -7.402 5.447 1.00 98.99 C +ATOM 588 CG PHE A 69 -22.075 -6.412 4.342 1.00 98.99 C +ATOM 589 CD1 PHE A 69 -21.027 -5.662 3.814 1.00 98.99 C +ATOM 590 CD2 PHE A 69 -23.352 -6.237 3.825 1.00 98.99 C +ATOM 591 CE1 PHE A 69 -21.253 -4.751 2.789 1.00 98.99 C +ATOM 592 CE2 PHE A 69 -23.587 -5.324 2.798 1.00 98.99 C +ATOM 593 CZ PHE A 69 -22.535 -4.583 2.284 1.00 98.99 C +ATOM 594 N LEU A 70 -19.604 -8.854 3.747 1.00 98.99 N +ATOM 595 CA LEU A 70 -18.755 -8.956 2.554 1.00 98.99 C +ATOM 596 C LEU A 70 -18.875 -10.334 1.904 1.00 98.99 C +ATOM 597 O LEU A 70 -18.839 -10.443 0.676 1.00 98.99 O +ATOM 598 CB LEU A 70 -17.289 -8.667 2.896 1.00 98.99 C +ATOM 599 CG LEU A 70 -16.927 -7.232 3.279 1.00 98.99 C +ATOM 600 CD1 LEU A 70 -15.433 -7.145 3.571 1.00 98.99 C +ATOM 601 CD2 LEU A 70 -17.303 -6.245 2.176 1.00 98.99 C +ATOM 602 N ARG A 71 -19.004 -11.369 2.719 1.00 98.70 N +ATOM 603 CA ARG A 71 -19.152 -12.748 2.263 1.00 98.70 C +ATOM 604 C ARG A 71 -20.485 -12.962 1.538 1.00 98.70 C +ATOM 605 O ARG A 71 -20.588 -13.843 0.682 1.00 98.70 O +ATOM 606 CB ARG A 71 -19.040 -13.676 3.472 1.00 98.70 C +ATOM 607 CG ARG A 71 -18.701 -15.111 3.161 1.00 98.70 C +ATOM 608 CD ARG A 71 -18.289 -15.862 4.419 1.00 98.70 C +ATOM 609 NE ARG A 71 -19.314 -15.828 5.459 1.00 98.70 N +ATOM 610 CZ ARG A 71 -19.241 -16.481 6.620 1.00 98.70 C +ATOM 611 NH1 ARG A 71 -18.187 -17.239 6.890 1.00 98.70 N +ATOM 612 NH2 ARG A 71 -20.223 -16.385 7.496 1.00 98.70 N +ATOM 613 N SER A 72 -21.500 -12.141 1.867 1.00 98.92 N +ATOM 614 CA SER A 72 -22.873 -12.323 1.396 1.00 98.92 C +ATOM 615 C SER A 72 -23.300 -11.407 0.254 1.00 98.92 C +ATOM 616 O SER A 72 -24.101 -11.817 -0.590 1.00 98.92 O +ATOM 617 CB SER A 72 -23.846 -12.131 2.561 1.00 98.92 C +ATOM 618 OG SER A 72 -23.541 -13.008 3.632 1.00 98.92 O +ATOM 619 N ILE A 73 -22.813 -10.170 0.225 1.00 98.99 N +ATOM 620 CA ILE A 73 -23.294 -9.174 -0.735 1.00 98.99 C +ATOM 621 C ILE A 73 -22.873 -9.518 -2.165 1.00 98.99 C +ATOM 622 O ILE A 73 -21.733 -9.915 -2.409 1.00 98.99 O +ATOM 623 CB ILE A 73 -22.851 -7.737 -0.324 1.00 98.99 C +ATOM 624 CG1 ILE A 73 -23.564 -6.666 -1.162 1.00 98.99 C +ATOM 625 CG2 ILE A 73 -21.345 -7.558 -0.397 1.00 98.99 C +ATOM 626 CD1 ILE A 73 -25.031 -6.478 -0.814 1.00 98.99 C +ATOM 627 N ARG A 74 -23.803 -9.387 -3.090 1.00 98.96 N +ATOM 628 CA ARG A 74 -23.600 -9.638 -4.520 1.00 98.96 C +ATOM 629 C ARG A 74 -24.401 -8.616 -5.316 1.00 98.96 C +ATOM 630 O ARG A 74 -25.391 -8.083 -4.802 1.00 98.96 O +ATOM 631 CB ARG A 74 -24.072 -11.046 -4.907 1.00 98.96 C +ATOM 632 CG ARG A 74 -23.415 -12.191 -4.153 1.00 98.96 C +ATOM 633 CD ARG A 74 -23.833 -13.538 -4.738 1.00 98.96 C +ATOM 634 NE ARG A 74 -25.288 -13.674 -4.880 1.00 98.96 N +ATOM 635 CZ ARG A 74 -26.112 -14.096 -3.922 1.00 98.96 C +ATOM 636 NH1 ARG A 74 -25.642 -14.442 -2.735 1.00 98.96 N +ATOM 637 NH2 ARG A 74 -27.418 -14.174 -4.153 1.00 98.96 N +ATOM 638 N PRO A 75 -24.035 -8.335 -6.586 1.00 98.96 N +ATOM 639 CA PRO A 75 -24.849 -7.404 -7.388 1.00 98.96 C +ATOM 640 C PRO A 75 -26.322 -7.800 -7.481 1.00 98.96 C +ATOM 641 O PRO A 75 -27.181 -6.915 -7.529 1.00 98.96 O +ATOM 642 CB PRO A 75 -24.164 -7.443 -8.756 1.00 98.96 C +ATOM 643 CG PRO A 75 -22.737 -7.747 -8.433 1.00 98.96 C +ATOM 644 CD PRO A 75 -22.801 -8.731 -7.294 1.00 98.96 C +ATOM 645 N ASP A 76 -26.637 -9.104 -7.472 1.00 98.96 N +ATOM 646 CA ASP A 76 -28.019 -9.565 -7.631 1.00 98.96 C +ATOM 647 C ASP A 76 -28.867 -9.477 -6.362 1.00 98.96 C +ATOM 648 O ASP A 76 -30.087 -9.604 -6.450 1.00 98.96 O +ATOM 649 CB ASP A 76 -28.064 -10.992 -8.184 1.00 98.96 C +ATOM 650 CG ASP A 76 -27.445 -12.016 -7.255 1.00 98.96 C +ATOM 651 OD1 ASP A 76 -26.222 -12.247 -7.359 1.00 98.96 O +ATOM 652 OD2 ASP A 76 -28.187 -12.601 -6.423 1.00 98.96 O +ATOM 653 N ASN A 77 -28.243 -9.264 -5.200 1.00 98.99 N +ATOM 654 CA ASN A 77 -29.003 -9.162 -3.952 1.00 98.99 C +ATOM 655 C ASN A 77 -28.832 -7.820 -3.230 1.00 98.99 C +ATOM 656 O ASN A 77 -29.220 -7.693 -2.066 1.00 98.99 O +ATOM 657 CB ASN A 77 -28.704 -10.344 -3.017 1.00 98.99 C +ATOM 658 CG ASN A 77 -27.307 -10.352 -2.428 1.00 98.99 C +ATOM 659 OD1 ASN A 77 -26.537 -9.392 -2.527 1.00 98.99 O +ATOM 660 ND2 ASN A 77 -26.946 -11.453 -1.773 1.00 98.99 N +ATOM 661 N MET A 78 -28.268 -6.836 -3.917 1.00 98.86 N +ATOM 662 CA MET A 78 -27.971 -5.522 -3.336 1.00 98.86 C +ATOM 663 C MET A 78 -29.190 -4.852 -2.703 1.00 98.86 C +ATOM 664 O MET A 78 -29.068 -4.232 -1.642 1.00 98.86 O +ATOM 665 CB MET A 78 -27.383 -4.583 -4.392 1.00 98.86 C +ATOM 666 CG MET A 78 -25.912 -4.784 -4.650 1.00 98.86 C +ATOM 667 SD MET A 78 -25.347 -3.812 -6.058 1.00 98.86 S +ATOM 668 CE MET A 78 -25.564 -2.145 -5.433 1.00 98.86 C +ATOM 669 N SER A 79 -30.359 -4.968 -3.354 1.00 98.74 N +ATOM 670 CA SER A 79 -31.581 -4.314 -2.882 1.00 98.74 C +ATOM 671 C SER A 79 -31.978 -4.764 -1.475 1.00 98.74 C +ATOM 672 O SER A 79 -32.566 -3.987 -0.723 1.00 98.74 O +ATOM 673 CB SER A 79 -32.730 -4.546 -3.862 1.00 98.74 C +ATOM 674 OG SER A 79 -33.010 -5.923 -3.998 1.00 98.74 O +ATOM 675 N GLU A 80 -31.639 -6.007 -1.126 1.00 98.93 N +ATOM 676 CA GLU A 80 -31.949 -6.570 0.193 1.00 98.93 C +ATOM 677 C GLU A 80 -31.000 -6.081 1.286 1.00 98.93 C +ATOM 678 O GLU A 80 -31.290 -6.256 2.471 1.00 98.93 O +ATOM 679 CB GLU A 80 -31.895 -8.099 0.141 1.00 98.93 C +ATOM 680 CG GLU A 80 -32.863 -8.739 -0.835 1.00 98.93 C +ATOM 681 CD GLU A 80 -32.490 -10.172 -1.167 1.00 98.93 C +ATOM 682 OE1 GLU A 80 -32.269 -10.967 -0.237 1.00 98.93 O +ATOM 683 OE2 GLU A 80 -32.395 -10.502 -2.376 1.00 98.93 O +ATOM 684 N TYR A 81 -29.869 -5.489 0.897 1.00 98.97 N +ATOM 685 CA TYR A 81 -28.807 -5.093 1.825 1.00 98.97 C +ATOM 686 C TYR A 81 -28.589 -3.578 1.882 1.00 98.97 C +ATOM 687 O TYR A 81 -27.527 -3.135 2.318 1.00 98.97 O +ATOM 688 CB TYR A 81 -27.496 -5.795 1.455 1.00 98.97 C +ATOM 689 CG TYR A 81 -27.426 -7.253 1.841 1.00 98.97 C +ATOM 690 CD1 TYR A 81 -26.877 -7.635 3.064 1.00 98.97 C +ATOM 691 CD2 TYR A 81 -27.892 -8.241 0.986 1.00 98.97 C +ATOM 692 CE1 TYR A 81 -26.797 -8.972 3.420 1.00 98.97 C +ATOM 693 CE2 TYR A 81 -27.816 -9.588 1.336 1.00 98.97 C +ATOM 694 CZ TYR A 81 -27.266 -9.946 2.554 1.00 98.97 C +ATOM 695 OH TYR A 81 -27.181 -11.267 2.902 1.00 98.97 O +ATOM 696 N SER A 82 -29.588 -2.779 1.457 1.00 98.45 N +ATOM 697 CA SER A 82 -29.419 -1.325 1.352 1.00 98.45 C +ATOM 698 C SER A 82 -28.978 -0.682 2.669 1.00 98.45 C +ATOM 699 O SER A 82 -28.117 0.201 2.663 1.00 98.45 O +ATOM 700 CB SER A 82 -30.702 -0.668 0.840 1.00 98.45 C +ATOM 701 OG SER A 82 -31.782 -0.902 1.723 1.00 98.45 O +ATOM 702 N LYS A 83 -29.540 -1.133 3.791 1.00 98.91 N +ATOM 703 CA LYS A 83 -29.186 -0.603 5.110 1.00 98.91 C +ATOM 704 C LYS A 83 -27.738 -0.948 5.478 1.00 98.91 C +ATOM 705 O LYS A 83 -26.982 -0.083 5.921 1.00 98.91 O +ATOM 706 CB LYS A 83 -30.149 -1.132 6.178 1.00 98.91 C +ATOM 707 CG LYS A 83 -29.887 -0.583 7.576 1.00 98.91 C +ATOM 708 CD LYS A 83 -30.850 -1.154 8.598 1.00 98.91 C +ATOM 709 CE LYS A 83 -30.553 -0.634 9.994 1.00 98.91 C +ATOM 710 NZ LYS A 83 -31.482 -1.207 11.010 1.00 98.91 N +ATOM 711 N GLN A 84 -27.354 -2.198 5.281 1.00 98.95 N +ATOM 712 CA GLN A 84 -26.001 -2.650 5.623 1.00 98.95 C +ATOM 713 C GLN A 84 -24.947 -2.048 4.694 1.00 98.95 C +ATOM 714 O GLN A 84 -23.835 -1.759 5.143 1.00 98.95 O +ATOM 715 CB GLN A 84 -25.924 -4.178 5.650 1.00 98.95 C +ATOM 716 CG GLN A 84 -26.708 -4.774 6.814 1.00 98.95 C +ATOM 717 CD GLN A 84 -26.495 -6.262 6.997 1.00 98.95 C +ATOM 718 OE1 GLN A 84 -25.917 -6.941 6.144 1.00 98.95 O +ATOM 719 NE2 GLN A 84 -26.956 -6.790 8.120 1.00 98.95 N +ATOM 720 N MET A 85 -25.295 -1.831 3.426 1.00 98.98 N +ATOM 721 CA MET A 85 -24.379 -1.178 2.486 1.00 98.98 C +ATOM 722 C MET A 85 -23.990 0.214 2.982 1.00 98.98 C +ATOM 723 O MET A 85 -22.823 0.601 2.894 1.00 98.98 O +ATOM 724 CB MET A 85 -25.001 -1.080 1.091 1.00 98.98 C +ATOM 725 CG MET A 85 -25.000 -2.403 0.346 1.00 98.98 C +ATOM 726 SD MET A 85 -25.875 -2.312 -1.220 1.00 98.98 S +ATOM 727 CE MET A 85 -24.818 -1.206 -2.147 1.00 98.98 C +ATOM 728 N GLN A 86 -24.973 0.948 3.491 1.00 98.93 N +ATOM 729 CA GLN A 86 -24.715 2.278 4.044 1.00 98.93 C +ATOM 730 C GLN A 86 -23.889 2.187 5.323 1.00 98.93 C +ATOM 731 O GLN A 86 -22.934 2.946 5.499 1.00 98.93 O +ATOM 732 CB GLN A 86 -26.025 3.023 4.291 1.00 98.93 C +ATOM 733 CG GLN A 86 -26.746 3.407 3.010 1.00 98.93 C +ATOM 734 CD GLN A 86 -28.118 3.987 3.262 1.00 98.93 C +ATOM 735 OE1 GLN A 86 -28.249 5.125 3.698 1.00 98.93 O +ATOM 736 NE2 GLN A 86 -29.148 3.192 3.008 1.00 98.93 N +ATOM 737 N ARG A 87 -24.244 1.242 6.206 1.00 98.97 N +ATOM 738 CA ARG A 87 -23.524 1.054 7.463 1.00 98.97 C +ATOM 739 C ARG A 87 -22.044 0.753 7.233 1.00 98.97 C +ATOM 740 O ARG A 87 -21.177 1.266 7.952 1.00 98.97 O +ATOM 741 CB ARG A 87 -24.156 -0.073 8.294 1.00 98.97 C +ATOM 742 CG ARG A 87 -23.654 -0.090 9.738 1.00 98.97 C +ATOM 743 CD ARG A 87 -23.559 -1.489 10.334 1.00 98.97 C +ATOM 744 NE ARG A 87 -24.836 -2.204 10.355 1.00 98.97 N +ATOM 745 CZ ARG A 87 -25.028 -3.376 10.952 1.00 98.97 C +ATOM 746 NH1 ARG A 87 -24.037 -3.972 11.604 1.00 98.97 N +ATOM 747 NH2 ARG A 87 -26.223 -3.948 10.913 1.00 98.97 N +ATOM 748 N PHE A 88 -21.752 -0.072 6.223 1.00 99.00 N +ATOM 749 CA PHE A 88 -20.386 -0.524 5.961 1.00 99.00 C +ATOM 750 C PHE A 88 -19.667 0.258 4.858 1.00 99.00 C +ATOM 751 O PHE A 88 -18.554 -0.105 4.478 1.00 99.00 O +ATOM 752 CB PHE A 88 -20.378 -2.029 5.667 1.00 99.00 C +ATOM 753 CG PHE A 88 -20.925 -2.868 6.797 1.00 99.00 C +ATOM 754 CD1 PHE A 88 -20.423 -2.735 8.086 1.00 99.00 C +ATOM 755 CD2 PHE A 88 -21.942 -3.787 6.576 1.00 99.00 C +ATOM 756 CE1 PHE A 88 -20.922 -3.503 9.132 1.00 99.00 C +ATOM 757 CE2 PHE A 88 -22.443 -4.562 7.617 1.00 99.00 C +ATOM 758 CZ PHE A 88 -21.935 -4.418 8.894 1.00 99.00 C +ATOM 759 N ASN A 89 -20.302 1.344 4.358 1.00 98.98 N +ATOM 760 CA ASN A 89 -19.716 2.220 3.332 1.00 98.98 C +ATOM 761 C ASN A 89 -19.401 1.480 2.027 1.00 98.98 C +ATOM 762 O ASN A 89 -18.346 1.686 1.411 1.00 98.98 O +ATOM 763 CB ASN A 89 -18.479 2.957 3.867 1.00 98.98 C +ATOM 764 CG ASN A 89 -18.058 4.119 2.989 1.00 98.98 C +ATOM 765 OD1 ASN A 89 -18.883 4.803 2.394 1.00 98.98 O +ATOM 766 ND2 ASN A 89 -16.755 4.354 2.905 1.00 98.98 N +ATOM 767 N VAL A 90 -20.340 0.624 1.608 1.00 98.90 N +ATOM 768 CA VAL A 90 -20.229 -0.107 0.349 1.00 98.90 C +ATOM 769 C VAL A 90 -21.299 0.407 -0.610 1.00 98.90 C +ATOM 770 O VAL A 90 -22.435 0.656 -0.197 1.00 98.90 O +ATOM 771 CB VAL A 90 -20.336 -1.637 0.591 1.00 98.90 C +ATOM 772 CG1 VAL A 90 -20.596 -2.407 -0.697 1.00 98.90 C +ATOM 773 CG2 VAL A 90 -19.064 -2.149 1.269 1.00 98.90 C +ATOM 774 N GLY A 91 -20.941 0.588 -1.883 1.00 94.99 N +ATOM 775 CA GLY A 91 -21.884 0.968 -2.926 1.00 94.99 C +ATOM 776 C GLY A 91 -21.516 2.165 -3.781 1.00 94.99 C +ATOM 777 O GLY A 91 -22.204 2.444 -4.769 1.00 94.99 O +ATOM 778 N GLU A 92 -20.450 2.891 -3.409 1.00 91.12 N +ATOM 779 CA GLU A 92 -20.037 4.073 -4.171 1.00 91.12 C +ATOM 780 C GLU A 92 -18.552 3.983 -4.517 1.00 91.12 C +ATOM 781 O GLU A 92 -18.204 3.337 -5.506 1.00 91.12 O +ATOM 782 CB GLU A 92 -20.407 5.345 -3.404 1.00 91.12 C +ATOM 783 CG GLU A 92 -20.203 6.642 -4.187 1.00 91.12 C +ATOM 784 CD GLU A 92 -21.029 6.756 -5.470 1.00 91.12 C +ATOM 785 OE1 GLU A 92 -22.096 6.115 -5.578 1.00 91.12 O +ATOM 786 OE2 GLU A 92 -20.606 7.506 -6.370 1.00 91.12 O +ATOM 787 N ASP A 93 -17.673 4.610 -3.721 1.00 97.28 N +ATOM 788 CA ASP A 93 -16.223 4.452 -3.897 1.00 97.28 C +ATOM 789 C ASP A 93 -15.817 2.984 -3.797 1.00 97.28 C +ATOM 790 O ASP A 93 -14.899 2.540 -4.492 1.00 97.28 O +ATOM 791 CB ASP A 93 -15.445 5.241 -2.833 1.00 97.28 C +ATOM 792 CG ASP A 93 -15.260 6.707 -3.173 1.00 97.28 C +ATOM 793 OD1 ASP A 93 -15.811 7.174 -4.197 1.00 97.28 O +ATOM 794 OD2 ASP A 93 -14.551 7.388 -2.404 1.00 97.28 O +ATOM 795 N CYS A 94 -16.512 2.249 -2.906 1.00 98.99 N +ATOM 796 CA CYS A 94 -16.260 0.830 -2.681 1.00 98.99 C +ATOM 797 C CYS A 94 -17.482 0.041 -3.154 1.00 98.99 C +ATOM 798 O CYS A 94 -18.318 -0.361 -2.342 1.00 98.99 O +ATOM 799 CB CYS A 94 -15.975 0.578 -1.200 1.00 98.99 C +ATOM 800 SG CYS A 94 -14.584 1.541 -0.567 1.00 98.99 S +ATOM 801 N PRO A 95 -17.606 -0.174 -4.469 1.00 98.96 N +ATOM 802 CA PRO A 95 -18.830 -0.772 -5.006 1.00 98.96 C +ATOM 803 C PRO A 95 -18.924 -2.276 -4.779 1.00 98.96 C +ATOM 804 O PRO A 95 -17.925 -2.945 -4.515 1.00 98.96 O +ATOM 805 CB PRO A 95 -18.744 -0.473 -6.506 1.00 98.96 C +ATOM 806 CG PRO A 95 -17.272 -0.439 -6.780 1.00 98.96 C +ATOM 807 CD PRO A 95 -16.647 0.175 -5.543 1.00 98.96 C +ATOM 808 N VAL A 96 -20.162 -2.791 -4.902 1.00 99.00 N +ATOM 809 CA VAL A 96 -20.393 -4.230 -4.959 1.00 99.00 C +ATOM 810 C VAL A 96 -20.076 -4.671 -6.386 1.00 99.00 C +ATOM 811 O VAL A 96 -20.593 -4.088 -7.342 1.00 99.00 O +ATOM 812 CB VAL A 96 -21.850 -4.584 -4.589 1.00 99.00 C +ATOM 813 CG1 VAL A 96 -22.105 -6.081 -4.733 1.00 99.00 C +ATOM 814 CG2 VAL A 96 -22.168 -4.121 -3.169 1.00 99.00 C +ATOM 815 N PHE A 97 -19.223 -5.664 -6.546 1.00 99.00 N +ATOM 816 CA PHE A 97 -18.925 -6.218 -7.865 1.00 99.00 C +ATOM 817 C PHE A 97 -18.819 -7.735 -7.782 1.00 99.00 C +ATOM 818 O PHE A 97 -18.645 -8.293 -6.698 1.00 99.00 O +ATOM 819 CB PHE A 97 -17.670 -5.585 -8.492 1.00 99.00 C +ATOM 820 CG PHE A 97 -16.394 -5.687 -7.686 1.00 99.00 C +ATOM 821 CD1 PHE A 97 -15.959 -4.611 -6.912 1.00 99.00 C +ATOM 822 CD2 PHE A 97 -15.601 -6.832 -7.734 1.00 99.00 C +ATOM 823 CE1 PHE A 97 -14.763 -4.682 -6.197 1.00 99.00 C +ATOM 824 CE2 PHE A 97 -14.403 -6.911 -7.015 1.00 99.00 C +ATOM 825 CZ PHE A 97 -13.988 -5.833 -6.249 1.00 99.00 C +ATOM 826 N ASP A 98 -18.957 -8.396 -8.942 1.00 98.99 N +ATOM 827 CA ASP A 98 -18.876 -9.853 -9.011 1.00 98.99 C +ATOM 828 C ASP A 98 -17.525 -10.318 -8.472 1.00 98.99 C +ATOM 829 O ASP A 98 -16.484 -9.837 -8.914 1.00 98.99 O +ATOM 830 CB ASP A 98 -19.056 -10.347 -10.452 1.00 98.99 C +ATOM 831 CG ASP A 98 -20.470 -10.202 -10.975 1.00 98.99 C +ATOM 832 OD1 ASP A 98 -21.427 -10.325 -10.181 1.00 98.99 O +ATOM 833 OD2 ASP A 98 -20.622 -9.983 -12.198 1.00 98.99 O +ATOM 834 N GLY A 99 -17.563 -11.229 -7.519 1.00 99.00 N +ATOM 835 CA GLY A 99 -16.351 -11.789 -6.943 1.00 99.00 C +ATOM 836 C GLY A 99 -15.661 -10.900 -5.921 1.00 99.00 C +ATOM 837 O GLY A 99 -14.483 -11.118 -5.628 1.00 99.00 O +ATOM 838 N LEU A 100 -16.382 -9.911 -5.376 1.00 99.00 N +ATOM 839 CA LEU A 100 -15.806 -8.981 -4.396 1.00 99.00 C +ATOM 840 C LEU A 100 -15.097 -9.709 -3.253 1.00 99.00 C +ATOM 841 O LEU A 100 -13.951 -9.385 -2.924 1.00 99.00 O +ATOM 842 CB LEU A 100 -16.892 -8.052 -3.837 1.00 99.00 C +ATOM 843 CG LEU A 100 -16.506 -7.176 -2.637 1.00 99.00 C +ATOM 844 CD1 LEU A 100 -15.363 -6.229 -2.996 1.00 99.00 C +ATOM 845 CD2 LEU A 100 -17.718 -6.403 -2.132 1.00 99.00 C +ATOM 846 N PHE A 101 -15.777 -10.682 -2.634 1.00 99.00 N +ATOM 847 CA PHE A 101 -15.183 -11.366 -1.484 1.00 99.00 C +ATOM 848 C PHE A 101 -13.943 -12.167 -1.883 1.00 99.00 C +ATOM 849 O PHE A 101 -12.950 -12.167 -1.149 1.00 99.00 O +ATOM 850 CB PHE A 101 -16.208 -12.254 -0.762 1.00 99.00 C +ATOM 851 CG PHE A 101 -15.704 -12.795 0.554 1.00 99.00 C +ATOM 852 CD1 PHE A 101 -15.450 -11.937 1.616 1.00 99.00 C +ATOM 853 CD2 PHE A 101 -15.468 -14.151 0.725 1.00 99.00 C +ATOM 854 CE1 PHE A 101 -14.976 -12.421 2.831 1.00 99.00 C +ATOM 855 CE2 PHE A 101 -14.995 -14.645 1.938 1.00 99.00 C +ATOM 856 CZ PHE A 101 -14.751 -13.778 2.986 1.00 99.00 C +ATOM 857 N GLU A 102 -13.974 -12.824 -3.051 1.00 99.00 N +ATOM 858 CA GLU A 102 -12.803 -13.564 -3.541 1.00 99.00 C +ATOM 859 C GLU A 102 -11.621 -12.633 -3.785 1.00 99.00 C +ATOM 860 O GLU A 102 -10.478 -12.995 -3.497 1.00 99.00 O +ATOM 861 CB GLU A 102 -13.136 -14.358 -4.809 1.00 99.00 C +ATOM 862 CG GLU A 102 -13.965 -15.602 -4.536 1.00 99.00 C +ATOM 863 CD GLU A 102 -14.221 -16.418 -5.789 1.00 99.00 C +ATOM 864 OE1 GLU A 102 -13.345 -17.224 -6.165 1.00 99.00 O +ATOM 865 OE2 GLU A 102 -15.292 -16.241 -6.399 1.00 99.00 O +ATOM 866 N PHE A 103 -11.891 -11.434 -4.309 1.00 99.00 N +ATOM 867 CA PHE A 103 -10.851 -10.418 -4.481 1.00 99.00 C +ATOM 868 C PHE A 103 -10.203 -10.085 -3.131 1.00 99.00 C +ATOM 869 O PHE A 103 -8.973 -10.028 -3.024 1.00 99.00 O +ATOM 870 CB PHE A 103 -11.449 -9.162 -5.128 1.00 99.00 C +ATOM 871 CG PHE A 103 -10.521 -7.977 -5.173 1.00 99.00 C +ATOM 872 CD1 PHE A 103 -10.657 -6.940 -4.245 1.00 99.00 C +ATOM 873 CD2 PHE A 103 -9.508 -7.900 -6.121 1.00 99.00 C +ATOM 874 CE1 PHE A 103 -9.798 -5.846 -4.275 1.00 99.00 C +ATOM 875 CE2 PHE A 103 -8.644 -6.803 -6.152 1.00 99.00 C +ATOM 876 CZ PHE A 103 -8.790 -5.778 -5.230 1.00 99.00 C +ATOM 877 N CYS A 104 -11.038 -9.886 -2.091 1.00 99.00 N +ATOM 878 CA CYS A 104 -10.546 -9.610 -0.739 1.00 99.00 C +ATOM 879 C CYS A 104 -9.711 -10.774 -0.209 1.00 99.00 C +ATOM 880 O CYS A 104 -8.676 -10.553 0.430 1.00 99.00 O +ATOM 881 CB CYS A 104 -11.716 -9.340 0.217 1.00 99.00 C +ATOM 882 SG CYS A 104 -12.671 -7.865 -0.195 1.00 99.00 S +ATOM 883 N GLN A 105 -10.156 -12.004 -0.474 1.00 99.00 N +ATOM 884 CA GLN A 105 -9.447 -13.203 -0.016 1.00 99.00 C +ATOM 885 C GLN A 105 -8.057 -13.313 -0.639 1.00 99.00 C +ATOM 886 O GLN A 105 -7.092 -13.664 0.047 1.00 99.00 O +ATOM 887 CB GLN A 105 -10.244 -14.465 -0.343 1.00 99.00 C +ATOM 888 CG GLN A 105 -11.534 -14.612 0.442 1.00 99.00 C +ATOM 889 CD GLN A 105 -12.237 -15.892 0.089 1.00 99.00 C +ATOM 890 OE1 GLN A 105 -12.809 -16.027 -0.994 1.00 99.00 O +ATOM 891 NE2 GLN A 105 -12.180 -16.861 0.985 1.00 99.00 N +ATOM 892 N LEU A 106 -7.949 -13.022 -1.941 1.00 99.00 N +ATOM 893 CA LEU A 106 -6.670 -13.137 -2.650 1.00 99.00 C +ATOM 894 C LEU A 106 -5.703 -12.028 -2.242 1.00 99.00 C +ATOM 895 O LEU A 106 -4.515 -12.286 -2.027 1.00 99.00 O +ATOM 896 CB LEU A 106 -6.897 -13.135 -4.165 1.00 99.00 C +ATOM 897 CG LEU A 106 -7.679 -14.336 -4.704 1.00 99.00 C +ATOM 898 CD1 LEU A 106 -7.950 -14.162 -6.195 1.00 99.00 C +ATOM 899 CD2 LEU A 106 -6.935 -15.646 -4.446 1.00 99.00 C +ATOM 900 N SER A 107 -6.215 -10.804 -2.137 1.00 98.98 N +ATOM 901 CA SER A 107 -5.405 -9.669 -1.703 1.00 98.98 C +ATOM 902 C SER A 107 -4.838 -9.926 -0.303 1.00 98.98 C +ATOM 903 O SER A 107 -3.634 -9.770 -0.069 1.00 98.98 O +ATOM 904 CB SER A 107 -6.251 -8.394 -1.729 1.00 98.98 C +ATOM 905 OG SER A 107 -5.538 -7.303 -1.186 1.00 98.98 O +ATOM 906 N THR A 108 -5.706 -10.327 0.618 1.00 99.00 N +ATOM 907 CA THR A 108 -5.321 -10.592 2.003 1.00 99.00 C +ATOM 908 C THR A 108 -4.417 -11.821 2.110 1.00 99.00 C +ATOM 909 O THR A 108 -3.437 -11.815 2.863 1.00 99.00 O +ATOM 910 CB THR A 108 -6.577 -10.770 2.876 1.00 99.00 C +ATOM 911 OG1 THR A 108 -7.332 -9.554 2.825 1.00 99.00 O +ATOM 912 CG2 THR A 108 -6.230 -11.088 4.322 1.00 99.00 C +ATOM 913 N GLY A 109 -4.741 -12.869 1.354 1.00 99.00 N +ATOM 914 CA GLY A 109 -3.977 -14.109 1.393 1.00 99.00 C +ATOM 915 C GLY A 109 -2.498 -13.908 1.085 1.00 99.00 C +ATOM 916 O GLY A 109 -1.647 -14.500 1.748 1.00 99.00 O +ATOM 917 N GLY A 110 -2.193 -13.074 0.102 1.00 99.00 N +ATOM 918 CA GLY A 110 -0.804 -12.802 -0.253 1.00 99.00 C +ATOM 919 C GLY A 110 -0.037 -12.100 0.860 1.00 99.00 C +ATOM 920 O GLY A 110 1.115 -12.445 1.141 1.00 99.00 O +ATOM 921 N SER A 111 -0.683 -11.128 1.496 1.00 99.00 N +ATOM 922 CA SER A 111 -0.030 -10.370 2.570 1.00 99.00 C +ATOM 923 C SER A 111 0.217 -11.242 3.805 1.00 99.00 C +ATOM 924 O SER A 111 1.314 -11.212 4.376 1.00 99.00 O +ATOM 925 CB SER A 111 -0.866 -9.146 2.944 1.00 99.00 C +ATOM 926 OG SER A 111 -0.956 -8.263 1.835 1.00 99.00 O +ATOM 927 N VAL A 112 -0.796 -12.011 4.211 1.00 98.97 N +ATOM 928 CA VAL A 112 -0.666 -12.873 5.391 1.00 98.97 C +ATOM 929 C VAL A 112 0.335 -13.999 5.124 1.00 98.97 C +ATOM 930 O VAL A 112 1.176 -14.290 5.984 1.00 98.97 O +ATOM 931 CB VAL A 112 -2.049 -13.407 5.854 1.00 98.97 C +ATOM 932 CG1 VAL A 112 -1.891 -14.405 6.993 1.00 98.97 C +ATOM 933 CG2 VAL A 112 -2.946 -12.253 6.286 1.00 98.97 C +ATOM 934 N ALA A 113 0.287 -14.602 3.932 1.00 99.00 N +ATOM 935 CA ALA A 113 1.244 -15.649 3.570 1.00 99.00 C +ATOM 936 C ALA A 113 2.673 -15.106 3.578 1.00 99.00 C +ATOM 937 O ALA A 113 3.592 -15.789 4.037 1.00 99.00 O +ATOM 938 CB ALA A 113 0.903 -16.245 2.204 1.00 99.00 C +ATOM 939 N GLY A 114 2.845 -13.888 3.088 1.00 99.00 N +ATOM 940 CA GLY A 114 4.151 -13.236 3.110 1.00 99.00 C +ATOM 941 C GLY A 114 4.666 -13.036 4.529 1.00 99.00 C +ATOM 942 O GLY A 114 5.845 -13.270 4.806 1.00 99.00 O +ATOM 943 N ALA A 115 3.776 -12.605 5.424 1.00 99.00 N +ATOM 944 CA ALA A 115 4.140 -12.414 6.828 1.00 99.00 C +ATOM 945 C ALA A 115 4.533 -13.741 7.483 1.00 99.00 C +ATOM 946 O ALA A 115 5.501 -13.788 8.247 1.00 99.00 O +ATOM 947 CB ALA A 115 2.993 -11.749 7.584 1.00 99.00 C +ATOM 948 N VAL A 116 3.803 -14.815 7.184 1.00 99.00 N +ATOM 949 CA VAL A 116 4.134 -16.152 7.697 1.00 99.00 C +ATOM 950 C VAL A 116 5.530 -16.568 7.222 1.00 99.00 C +ATOM 951 O VAL A 116 6.340 -17.052 8.017 1.00 99.00 O +ATOM 952 CB VAL A 116 3.062 -17.193 7.292 1.00 99.00 C +ATOM 953 CG1 VAL A 116 3.547 -18.620 7.550 1.00 99.00 C +ATOM 954 CG2 VAL A 116 1.752 -16.935 8.030 1.00 99.00 C +ATOM 955 N LYS A 117 5.816 -16.358 5.940 1.00 99.00 N +ATOM 956 CA LYS A 117 7.117 -16.705 5.357 1.00 99.00 C +ATOM 957 C LYS A 117 8.249 -15.926 6.035 1.00 99.00 C +ATOM 958 O LYS A 117 9.315 -16.492 6.317 1.00 99.00 O +ATOM 959 CB LYS A 117 7.093 -16.445 3.846 1.00 99.00 C +ATOM 960 CG LYS A 117 8.204 -17.111 3.063 1.00 99.00 C +ATOM 961 CD LYS A 117 7.917 -18.587 2.836 1.00 99.00 C +ATOM 962 CE LYS A 117 8.844 -19.157 1.766 1.00 99.00 C +ATOM 963 NZ LYS A 117 8.728 -20.634 1.689 1.00 99.00 N +ATOM 964 N LEU A 118 8.023 -14.638 6.304 1.00 99.00 N +ATOM 965 CA LEU A 118 8.998 -13.809 7.020 1.00 99.00 C +ATOM 966 C LEU A 118 9.186 -14.301 8.458 1.00 99.00 C +ATOM 967 O LEU A 118 10.317 -14.381 8.941 1.00 99.00 O +ATOM 968 CB LEU A 118 8.568 -12.336 7.009 1.00 99.00 C +ATOM 969 CG LEU A 118 8.646 -11.629 5.658 1.00 99.00 C +ATOM 970 CD1 LEU A 118 7.870 -10.319 5.696 1.00 99.00 C +ATOM 971 CD2 LEU A 118 10.092 -11.381 5.249 1.00 99.00 C +ATOM 972 N ASN A 119 8.079 -14.636 9.139 1.00 99.00 N +ATOM 973 CA ASN A 119 8.134 -15.150 10.512 1.00 99.00 C +ATOM 974 C ASN A 119 8.919 -16.452 10.607 1.00 99.00 C +ATOM 975 O ASN A 119 9.629 -16.681 11.591 1.00 99.00 O +ATOM 976 CB ASN A 119 6.723 -15.378 11.063 1.00 99.00 C +ATOM 977 CG ASN A 119 6.047 -14.107 11.530 1.00 99.00 C +ATOM 978 OD1 ASN A 119 6.686 -13.079 11.727 1.00 99.00 O +ATOM 979 ND2 ASN A 119 4.735 -14.184 11.722 1.00 99.00 N +ATOM 980 N ARG A 120 8.786 -17.303 9.592 1.00 98.99 N +ATOM 981 CA ARG A 120 9.473 -18.597 9.554 1.00 98.99 C +ATOM 982 C ARG A 120 10.934 -18.475 9.116 1.00 98.99 C +ATOM 983 O ARG A 120 11.628 -19.490 9.021 1.00 98.99 O +ATOM 984 CB ARG A 120 8.721 -19.554 8.632 1.00 98.99 C +ATOM 985 CG ARG A 120 7.342 -19.953 9.157 1.00 98.99 C +ATOM 986 CD ARG A 120 6.540 -20.758 8.143 1.00 98.99 C +ATOM 987 NE ARG A 120 7.091 -22.088 7.928 1.00 98.99 N +ATOM 988 CZ ARG A 120 6.570 -23.003 7.109 1.00 98.99 C +ATOM 989 NH1 ARG A 120 5.469 -22.734 6.418 1.00 98.99 N +ATOM 990 NH2 ARG A 120 7.145 -24.186 6.998 1.00 98.99 N +ATOM 991 N GLN A 121 11.389 -17.257 8.842 1.00 98.99 N +ATOM 992 CA GLN A 121 12.756 -16.959 8.403 1.00 98.99 C +ATOM 993 C GLN A 121 13.117 -17.708 7.119 1.00 98.99 C +ATOM 994 O GLN A 121 14.264 -18.105 6.914 1.00 98.99 O +ATOM 995 CB GLN A 121 13.762 -17.230 9.527 1.00 98.99 C +ATOM 996 CG GLN A 121 13.491 -16.377 10.763 1.00 98.99 C +ATOM 997 CD GLN A 121 14.431 -16.669 11.907 1.00 98.99 C +ATOM 998 OE1 GLN A 121 14.421 -17.751 12.479 1.00 98.99 O +ATOM 999 NE2 GLN A 121 15.263 -15.702 12.248 1.00 98.99 N +ATOM 1000 N GLN A 122 12.120 -17.871 6.251 1.00 98.99 N +ATOM 1001 CA GLN A 122 12.292 -18.567 4.980 1.00 98.99 C +ATOM 1002 C GLN A 122 12.456 -17.608 3.807 1.00 98.99 C +ATOM 1003 O GLN A 122 12.641 -18.051 2.672 1.00 98.99 O +ATOM 1004 CB GLN A 122 11.132 -19.533 4.740 1.00 98.99 C +ATOM 1005 CG GLN A 122 11.158 -20.708 5.715 1.00 98.99 C +ATOM 1006 CD GLN A 122 10.036 -21.699 5.506 1.00 98.99 C +ATOM 1007 OE1 GLN A 122 9.125 -21.480 4.702 1.00 98.99 O +ATOM 1008 NE2 GLN A 122 10.087 -22.809 6.229 1.00 98.99 N +ATOM 1009 N THR A 123 12.396 -16.305 4.069 1.00 99.00 N +ATOM 1010 CA THR A 123 12.649 -15.285 3.056 1.00 99.00 C +ATOM 1011 C THR A 123 13.106 -14.009 3.749 1.00 99.00 C +ATOM 1012 O THR A 123 12.841 -13.811 4.937 1.00 99.00 O +ATOM 1013 CB THR A 123 11.409 -15.018 2.175 1.00 99.00 C +ATOM 1014 OG1 THR A 123 11.790 -14.242 1.038 1.00 99.00 O +ATOM 1015 CG2 THR A 123 10.303 -14.287 2.934 1.00 99.00 C +ATOM 1016 N ASP A 124 13.799 -13.151 3.015 1.00 98.98 N +ATOM 1017 CA ASP A 124 14.195 -11.829 3.509 1.00 98.98 C +ATOM 1018 C ASP A 124 13.163 -10.771 3.150 1.00 98.98 C +ATOM 1019 O ASP A 124 12.939 -9.831 3.914 1.00 98.98 O +ATOM 1020 CB ASP A 124 15.560 -11.421 2.953 1.00 98.98 C +ATOM 1021 CG ASP A 124 16.652 -12.377 3.362 1.00 98.98 C +ATOM 1022 OD1 ASP A 124 17.353 -12.901 2.466 1.00 98.98 O +ATOM 1023 OD2 ASP A 124 16.809 -12.615 4.579 1.00 98.98 O +ATOM 1024 N MET A 125 12.546 -10.940 1.981 1.00 99.00 N +ATOM 1025 CA MET A 125 11.515 -10.029 1.498 1.00 99.00 C +ATOM 1026 C MET A 125 10.363 -10.827 0.926 1.00 99.00 C +ATOM 1027 O MET A 125 10.576 -11.847 0.269 1.00 99.00 O +ATOM 1028 CB MET A 125 12.055 -9.088 0.420 1.00 99.00 C +ATOM 1029 CG MET A 125 12.818 -7.913 0.982 1.00 99.00 C +ATOM 1030 SD MET A 125 13.606 -6.933 -0.288 1.00 99.00 S +ATOM 1031 CE MET A 125 15.094 -7.899 -0.497 1.00 99.00 C +ATOM 1032 N ALA A 126 9.155 -10.352 1.174 1.00 99.00 N +ATOM 1033 CA ALA A 126 7.953 -10.906 0.567 1.00 99.00 C +ATOM 1034 C ALA A 126 7.235 -9.769 -0.143 1.00 99.00 C +ATOM 1035 O ALA A 126 7.170 -8.654 0.390 1.00 99.00 O +ATOM 1036 CB ALA A 126 7.063 -11.562 1.616 1.00 99.00 C +ATOM 1037 N VAL A 127 6.721 -10.050 -1.342 1.00 99.00 N +ATOM 1038 CA VAL A 127 6.081 -9.036 -2.178 1.00 99.00 C +ATOM 1039 C VAL A 127 4.661 -9.472 -2.520 1.00 99.00 C +ATOM 1040 O VAL A 127 4.461 -10.592 -2.994 1.00 99.00 O +ATOM 1041 CB VAL A 127 6.881 -8.799 -3.482 1.00 99.00 C +ATOM 1042 CG1 VAL A 127 6.217 -7.728 -4.344 1.00 99.00 C +ATOM 1043 CG2 VAL A 127 8.333 -8.422 -3.183 1.00 99.00 C +ATOM 1044 N ASN A 128 3.690 -8.592 -2.282 1.00 99.00 N +ATOM 1045 CA ASN A 128 2.302 -8.818 -2.691 1.00 99.00 C +ATOM 1046 C ASN A 128 1.729 -7.523 -3.263 1.00 99.00 C +ATOM 1047 O ASN A 128 1.190 -6.697 -2.520 1.00 99.00 O +ATOM 1048 CB ASN A 128 1.448 -9.318 -1.522 1.00 99.00 C +ATOM 1049 CG ASN A 128 -0.020 -9.487 -1.905 1.00 99.00 C +ATOM 1050 OD1 ASN A 128 -0.340 -9.756 -3.059 1.00 99.00 O +ATOM 1051 ND2 ASN A 128 -0.906 -9.318 -0.940 1.00 99.00 N +ATOM 1052 N TRP A 129 1.839 -7.358 -4.600 1.00 99.00 N +ATOM 1053 CA TRP A 129 1.358 -6.128 -5.237 1.00 99.00 C +ATOM 1054 C TRP A 129 -0.165 -5.986 -5.206 1.00 99.00 C +ATOM 1055 O TRP A 129 -0.676 -4.882 -5.394 1.00 99.00 O +ATOM 1056 CB TRP A 129 1.880 -6.010 -6.675 1.00 99.00 C +ATOM 1057 CG TRP A 129 3.378 -5.875 -6.778 1.00 99.00 C +ATOM 1058 CD1 TRP A 129 4.204 -6.606 -7.577 1.00 99.00 C +ATOM 1059 CD2 TRP A 129 4.224 -4.961 -6.058 1.00 99.00 C +ATOM 1060 NE1 TRP A 129 5.509 -6.205 -7.407 1.00 99.00 N +ATOM 1061 CE2 TRP A 129 5.552 -5.199 -6.482 1.00 99.00 C +ATOM 1062 CE3 TRP A 129 3.995 -3.956 -5.103 1.00 99.00 C +ATOM 1063 CZ2 TRP A 129 6.641 -4.479 -5.982 1.00 99.00 C +ATOM 1064 CZ3 TRP A 129 5.078 -3.240 -4.607 1.00 99.00 C +ATOM 1065 CH2 TRP A 129 6.388 -3.502 -5.044 1.00 99.00 C +ATOM 1066 N ALA A 130 -0.895 -7.087 -4.947 1.00 99.00 N +ATOM 1067 CA ALA A 130 -2.350 -7.028 -4.806 1.00 99.00 C +ATOM 1068 C ALA A 130 -2.789 -6.530 -3.428 1.00 99.00 C +ATOM 1069 O ALA A 130 -3.981 -6.296 -3.214 1.00 99.00 O +ATOM 1070 CB ALA A 130 -2.963 -8.398 -5.098 1.00 99.00 C +ATOM 1071 N GLY A 131 -1.845 -6.382 -2.509 1.00 99.00 N +ATOM 1072 CA GLY A 131 -2.131 -5.916 -1.158 1.00 99.00 C +ATOM 1073 C GLY A 131 -1.918 -4.420 -1.002 1.00 99.00 C +ATOM 1074 O GLY A 131 -1.811 -3.685 -1.987 1.00 99.00 O +ATOM 1075 N GLY A 132 -1.863 -3.983 0.249 1.00 99.00 N +ATOM 1076 CA GLY A 132 -1.627 -2.576 0.563 1.00 99.00 C +ATOM 1077 C GLY A 132 -2.888 -1.740 0.651 1.00 99.00 C +ATOM 1078 O GLY A 132 -2.828 -0.519 0.485 1.00 99.00 O +ATOM 1079 N LEU A 133 -4.015 -2.388 0.928 1.00 98.99 N +ATOM 1080 CA LEU A 133 -5.322 -1.717 0.933 1.00 98.99 C +ATOM 1081 C LEU A 133 -5.562 -1.047 2.293 1.00 98.99 C +ATOM 1082 O LEU A 133 -6.345 -1.509 3.123 1.00 98.99 O +ATOM 1083 CB LEU A 133 -6.420 -2.710 0.531 1.00 98.99 C +ATOM 1084 CG LEU A 133 -6.134 -3.420 -0.801 1.00 98.99 C +ATOM 1085 CD1 LEU A 133 -7.342 -4.225 -1.272 1.00 98.99 C +ATOM 1086 CD2 LEU A 133 -5.700 -2.456 -1.904 1.00 98.99 C +ATOM 1087 N HIS A 134 -4.893 0.071 2.453 1.00 99.00 N +ATOM 1088 CA HIS A 134 -4.645 0.695 3.752 1.00 99.00 C +ATOM 1089 C HIS A 134 -5.812 1.483 4.344 1.00 99.00 C +ATOM 1090 O HIS A 134 -5.712 1.913 5.513 1.00 99.00 O +ATOM 1091 CB HIS A 134 -3.401 1.588 3.663 1.00 99.00 C +ATOM 1092 CG HIS A 134 -3.455 2.703 2.678 1.00 99.00 C +ATOM 1093 ND1 HIS A 134 -2.448 3.677 2.592 1.00 99.00 N +ATOM 1094 CD2 HIS A 134 -4.371 2.975 1.685 1.00 99.00 C +ATOM 1095 CE1 HIS A 134 -2.732 4.511 1.628 1.00 99.00 C +ATOM 1096 NE2 HIS A 134 -3.911 4.105 1.038 1.00 99.00 N +ATOM 1097 N HIS A 135 -6.897 1.704 3.588 1.00 99.00 N +ATOM 1098 CA HIS A 135 -8.017 2.496 4.102 1.00 99.00 C +ATOM 1099 C HIS A 135 -9.088 1.685 4.827 1.00 99.00 C +ATOM 1100 O HIS A 135 -9.892 2.275 5.555 1.00 99.00 O +ATOM 1101 CB HIS A 135 -8.703 3.280 2.977 1.00 99.00 C +ATOM 1102 CG HIS A 135 -7.836 4.318 2.343 1.00 99.00 C +ATOM 1103 ND1 HIS A 135 -7.186 5.286 3.045 1.00 99.00 N +ATOM 1104 CD2 HIS A 135 -7.548 4.516 1.034 1.00 99.00 C +ATOM 1105 CE1 HIS A 135 -6.519 6.060 2.209 1.00 99.00 C +ATOM 1106 NE2 HIS A 135 -6.724 5.617 0.965 1.00 99.00 N +ATOM 1107 N ALA A 136 -9.149 0.368 4.630 1.00 99.00 N +ATOM 1108 CA ALA A 136 -10.226 -0.432 5.219 1.00 99.00 C +ATOM 1109 C ALA A 136 -10.158 -0.387 6.747 1.00 99.00 C +ATOM 1110 O ALA A 136 -9.074 -0.466 7.333 1.00 99.00 O +ATOM 1111 CB ALA A 136 -10.173 -1.868 4.717 1.00 99.00 C +ATOM 1112 N LYS A 137 -11.331 -0.243 7.369 1.00 98.98 N +ATOM 1113 CA LYS A 137 -11.472 -0.111 8.823 1.00 98.98 C +ATOM 1114 C LYS A 137 -12.056 -1.392 9.415 1.00 98.98 C +ATOM 1115 O LYS A 137 -12.532 -2.267 8.690 1.00 98.98 O +ATOM 1116 CB LYS A 137 -12.383 1.075 9.170 1.00 98.98 C +ATOM 1117 CG LYS A 137 -12.050 2.386 8.452 1.00 98.98 C +ATOM 1118 CD LYS A 137 -10.683 2.921 8.852 1.00 98.98 C +ATOM 1119 CE LYS A 137 -10.514 4.362 8.395 1.00 98.98 C +ATOM 1120 NZ LYS A 137 -10.658 4.517 6.940 1.00 98.98 N +ATOM 1121 N LYS A 138 -12.033 -1.487 10.741 1.00 98.90 N +ATOM 1122 CA LYS A 138 -12.530 -2.662 11.457 1.00 98.90 C +ATOM 1123 C LYS A 138 -13.913 -3.099 10.968 1.00 98.90 C +ATOM 1124 O LYS A 138 -14.135 -4.291 10.740 1.00 98.90 O +ATOM 1125 CB LYS A 138 -12.567 -2.384 12.966 1.00 98.90 C +ATOM 1126 CG LYS A 138 -12.875 -3.610 13.808 1.00 98.90 C +ATOM 1127 CD LYS A 138 -12.899 -3.273 15.289 1.00 98.90 C +ATOM 1128 CE LYS A 138 -12.898 -4.513 16.162 1.00 98.90 C +ATOM 1129 NZ LYS A 138 -11.572 -5.158 16.205 1.00 98.90 N +ATOM 1130 N SER A 139 -14.830 -2.133 10.771 1.00 98.99 N +ATOM 1131 CA SER A 139 -16.208 -2.442 10.376 1.00 98.99 C +ATOM 1132 C SER A 139 -16.695 -1.598 9.203 1.00 98.99 C +ATOM 1133 O SER A 139 -17.888 -1.303 9.107 1.00 98.99 O +ATOM 1134 CB SER A 139 -17.153 -2.284 11.570 1.00 98.99 C +ATOM 1135 OG SER A 139 -16.807 -3.184 12.602 1.00 98.99 O +ATOM 1136 N GLU A 140 -15.781 -1.222 8.292 1.00 98.17 N +ATOM 1137 CA GLU A 140 -16.152 -0.307 7.212 1.00 98.17 C +ATOM 1138 C GLU A 140 -15.172 -0.378 6.048 1.00 98.17 C +ATOM 1139 O GLU A 140 -13.955 -0.381 6.263 1.00 98.17 O +ATOM 1140 CB GLU A 140 -16.193 1.111 7.783 1.00 98.17 C +ATOM 1141 CG GLU A 140 -16.541 2.218 6.821 1.00 98.17 C +ATOM 1142 CD GLU A 140 -16.464 3.572 7.509 1.00 98.17 C +ATOM 1143 OE1 GLU A 140 -15.862 4.504 6.932 1.00 98.17 O +ATOM 1144 OE2 GLU A 140 -16.995 3.709 8.623 1.00 98.17 O +ATOM 1145 N ALA A 141 -15.709 -0.415 4.825 1.00 99.00 N +ATOM 1146 CA ALA A 141 -14.908 -0.240 3.616 1.00 99.00 C +ATOM 1147 C ALA A 141 -14.604 1.246 3.430 1.00 99.00 C +ATOM 1148 O ALA A 141 -15.375 2.098 3.875 1.00 99.00 O +ATOM 1149 CB ALA A 141 -15.651 -0.784 2.400 1.00 99.00 C +ATOM 1150 N SER A 142 -13.496 1.561 2.782 1.00 98.95 N +ATOM 1151 CA SER A 142 -13.134 2.955 2.535 1.00 98.95 C +ATOM 1152 C SER A 142 -12.088 3.052 1.433 1.00 98.95 C +ATOM 1153 O SER A 142 -11.208 2.198 1.342 1.00 98.95 O +ATOM 1154 CB SER A 142 -12.603 3.603 3.815 1.00 98.95 C +ATOM 1155 OG SER A 142 -12.219 4.947 3.591 1.00 98.95 O +ATOM 1156 N GLY A 143 -12.193 4.085 0.605 1.00 99.00 N +ATOM 1157 CA GLY A 143 -11.177 4.394 -0.396 1.00 99.00 C +ATOM 1158 C GLY A 143 -10.752 3.237 -1.280 1.00 99.00 C +ATOM 1159 O GLY A 143 -9.546 3.035 -1.469 1.00 99.00 O +ATOM 1160 N PHE A 144 -11.717 2.485 -1.789 1.00 99.00 N +ATOM 1161 CA PHE A 144 -11.523 1.350 -2.695 1.00 99.00 C +ATOM 1162 C PHE A 144 -11.043 0.081 -1.976 1.00 99.00 C +ATOM 1163 O PHE A 144 -10.775 -0.931 -2.630 1.00 99.00 O +ATOM 1164 CB PHE A 144 -10.570 1.668 -3.863 1.00 99.00 C +ATOM 1165 CG PHE A 144 -10.763 3.004 -4.562 1.00 99.00 C +ATOM 1166 CD1 PHE A 144 -11.985 3.664 -4.543 1.00 99.00 C +ATOM 1167 CD2 PHE A 144 -9.709 3.580 -5.263 1.00 99.00 C +ATOM 1168 CE1 PHE A 144 -12.149 4.880 -5.198 1.00 99.00 C +ATOM 1169 CE2 PHE A 144 -9.866 4.790 -5.925 1.00 99.00 C +ATOM 1170 CZ PHE A 144 -11.081 5.443 -5.888 1.00 99.00 C +ATOM 1171 N CYS A 145 -10.954 0.139 -0.636 1.00 99.00 N +ATOM 1172 CA CYS A 145 -10.442 -0.940 0.207 1.00 99.00 C +ATOM 1173 C CYS A 145 -11.573 -1.545 1.037 1.00 99.00 C +ATOM 1174 O CYS A 145 -12.380 -0.810 1.605 1.00 99.00 O +ATOM 1175 CB CYS A 145 -9.366 -0.408 1.163 1.00 99.00 C +ATOM 1176 SG CYS A 145 -8.035 0.515 0.360 1.00 99.00 S +ATOM 1177 N TYR A 146 -11.609 -2.876 1.125 1.00 99.00 N +ATOM 1178 CA TYR A 146 -12.643 -3.599 1.862 1.00 99.00 C +ATOM 1179 C TYR A 146 -12.084 -4.335 3.073 1.00 99.00 C +ATOM 1180 O TYR A 146 -12.659 -4.268 4.159 1.00 99.00 O +ATOM 1181 CB TYR A 146 -13.356 -4.601 0.943 1.00 99.00 C +ATOM 1182 CG TYR A 146 -13.931 -3.980 -0.310 1.00 99.00 C +ATOM 1183 CD1 TYR A 146 -13.142 -3.783 -1.436 1.00 99.00 C +ATOM 1184 CD2 TYR A 146 -15.264 -3.578 -0.352 1.00 99.00 C +ATOM 1185 CE1 TYR A 146 -13.663 -3.199 -2.583 1.00 99.00 C +ATOM 1186 CE2 TYR A 146 -15.798 -2.995 -1.498 1.00 99.00 C +ATOM 1187 CZ TYR A 146 -14.995 -2.807 -2.608 1.00 99.00 C +ATOM 1188 OH TYR A 146 -15.509 -2.232 -3.742 1.00 99.00 O +ATOM 1189 N VAL A 147 -10.988 -5.064 2.889 1.00 99.00 N +ATOM 1190 CA VAL A 147 -10.326 -5.815 3.960 1.00 99.00 C +ATOM 1191 C VAL A 147 -8.899 -5.286 4.071 1.00 99.00 C +ATOM 1192 O VAL A 147 -8.192 -5.188 3.069 1.00 99.00 O +ATOM 1193 CB VAL A 147 -10.352 -7.337 3.693 1.00 99.00 C +ATOM 1194 CG1 VAL A 147 -9.512 -8.099 4.713 1.00 99.00 C +ATOM 1195 CG2 VAL A 147 -11.791 -7.848 3.720 1.00 99.00 C +ATOM 1196 N ASN A 148 -8.499 -4.928 5.284 1.00 99.00 N +ATOM 1197 CA ASN A 148 -7.181 -4.336 5.501 1.00 99.00 C +ATOM 1198 C ASN A 148 -6.138 -5.438 5.650 1.00 99.00 C +ATOM 1199 O ASN A 148 -5.817 -5.874 6.760 1.00 99.00 O +ATOM 1200 CB ASN A 148 -7.198 -3.401 6.712 1.00 99.00 C +ATOM 1201 CG ASN A 148 -6.056 -2.410 6.681 1.00 99.00 C +ATOM 1202 OD1 ASN A 148 -4.915 -2.763 6.387 1.00 99.00 O +ATOM 1203 ND2 ASN A 148 -6.358 -1.149 6.968 1.00 99.00 N +ATOM 1204 N ASP A 149 -5.606 -5.862 4.503 1.00 99.00 N +ATOM 1205 CA ASP A 149 -4.584 -6.912 4.462 1.00 99.00 C +ATOM 1206 C ASP A 149 -3.337 -6.517 5.254 1.00 99.00 C +ATOM 1207 O ASP A 149 -2.660 -7.387 5.803 1.00 99.00 O +ATOM 1208 CB ASP A 149 -4.201 -7.215 3.008 1.00 99.00 C +ATOM 1209 CG ASP A 149 -3.571 -6.018 2.309 1.00 99.00 C +ATOM 1210 OD1 ASP A 149 -4.298 -5.033 2.047 1.00 99.00 O +ATOM 1211 OD2 ASP A 149 -2.347 -6.069 2.044 1.00 99.00 O +ATOM 1212 N ILE A 150 -3.044 -5.219 5.296 1.00 99.00 N +ATOM 1213 CA ILE A 150 -1.851 -4.734 5.992 1.00 99.00 C +ATOM 1214 C ILE A 150 -1.963 -5.008 7.492 1.00 99.00 C +ATOM 1215 O ILE A 150 -1.038 -5.558 8.098 1.00 99.00 O +ATOM 1216 CB ILE A 150 -1.612 -3.224 5.739 1.00 99.00 C +ATOM 1217 CG1 ILE A 150 -1.621 -2.899 4.240 1.00 99.00 C +ATOM 1218 CG2 ILE A 150 -0.287 -2.796 6.391 1.00 99.00 C +ATOM 1219 CD1 ILE A 150 -1.575 -1.410 3.939 1.00 99.00 C +ATOM 1220 N VAL A 151 -3.088 -4.621 8.083 1.00 99.00 N +ATOM 1221 CA VAL A 151 -3.311 -4.842 9.515 1.00 99.00 C +ATOM 1222 C VAL A 151 -3.231 -6.339 9.833 1.00 99.00 C +ATOM 1223 O VAL A 151 -2.589 -6.731 10.812 1.00 99.00 O +ATOM 1224 CB VAL A 151 -4.660 -4.238 9.972 1.00 99.00 C +ATOM 1225 CG1 VAL A 151 -5.014 -4.688 11.393 1.00 99.00 C +ATOM 1226 CG2 VAL A 151 -4.611 -2.715 9.892 1.00 99.00 C +ATOM 1227 N LEU A 152 -3.846 -7.165 8.995 1.00 99.00 N +ATOM 1228 CA LEU A 152 -3.829 -8.614 9.215 1.00 99.00 C +ATOM 1229 C LEU A 152 -2.410 -9.183 9.094 1.00 99.00 C +ATOM 1230 O LEU A 152 -2.026 -10.052 9.882 1.00 99.00 O +ATOM 1231 CB LEU A 152 -4.806 -9.305 8.257 1.00 99.00 C +ATOM 1232 CG LEU A 152 -6.277 -8.971 8.537 1.00 99.00 C +ATOM 1233 CD1 LEU A 152 -7.160 -9.410 7.374 1.00 99.00 C +ATOM 1234 CD2 LEU A 152 -6.752 -9.612 9.839 1.00 99.00 C +ATOM 1235 N ALA A 153 -1.629 -8.685 8.135 1.00 99.00 N +ATOM 1236 CA ALA A 153 -0.233 -9.103 7.988 1.00 99.00 C +ATOM 1237 C ALA A 153 0.601 -8.663 9.192 1.00 99.00 C +ATOM 1238 O ALA A 153 1.441 -9.427 9.675 1.00 99.00 O +ATOM 1239 CB ALA A 153 0.360 -8.546 6.698 1.00 99.00 C +ATOM 1240 N ILE A 154 0.373 -7.442 9.682 1.00 99.00 N +ATOM 1241 CA ILE A 154 1.109 -6.939 10.846 1.00 99.00 C +ATOM 1242 C ILE A 154 0.741 -7.738 12.100 1.00 99.00 C +ATOM 1243 O ILE A 154 1.621 -8.064 12.903 1.00 99.00 O +ATOM 1244 CB ILE A 154 0.906 -5.413 11.037 1.00 99.00 C +ATOM 1245 CG1 ILE A 154 1.586 -4.649 9.884 1.00 99.00 C +ATOM 1246 CG2 ILE A 154 1.454 -4.956 12.389 1.00 99.00 C +ATOM 1247 CD1 ILE A 154 1.226 -3.171 9.816 1.00 99.00 C +ATOM 1248 N LEU A 155 -0.536 -8.078 12.260 1.00 99.00 N +ATOM 1249 CA LEU A 155 -0.943 -8.923 13.391 1.00 99.00 C +ATOM 1250 C LEU A 155 -0.225 -10.273 13.347 1.00 99.00 C +ATOM 1251 O LEU A 155 0.157 -10.797 14.398 1.00 99.00 O +ATOM 1252 CB LEU A 155 -2.464 -9.120 13.414 1.00 99.00 C +ATOM 1253 CG LEU A 155 -3.279 -7.896 13.843 1.00 99.00 C +ATOM 1254 CD1 LEU A 155 -4.770 -8.160 13.653 1.00 99.00 C +ATOM 1255 CD2 LEU A 155 -2.987 -7.514 15.293 1.00 99.00 C +ATOM 1256 N GLU A 156 -0.021 -10.811 12.140 1.00 99.00 N +ATOM 1257 CA GLU A 156 0.746 -12.050 11.975 1.00 99.00 C +ATOM 1258 C GLU A 156 2.215 -11.839 12.366 1.00 99.00 C +ATOM 1259 O GLU A 156 2.788 -12.658 13.090 1.00 99.00 O +ATOM 1260 CB GLU A 156 0.621 -12.562 10.532 1.00 99.00 C +ATOM 1261 CG GLU A 156 1.369 -13.825 10.224 1.00 99.00 C +ATOM 1262 CD GLU A 156 0.823 -15.038 10.977 1.00 99.00 C +ATOM 1263 OE1 GLU A 156 -0.409 -15.101 11.240 1.00 99.00 O +ATOM 1264 OE2 GLU A 156 1.636 -15.920 11.279 1.00 99.00 O +ATOM 1265 N LEU A 157 2.812 -10.733 11.929 1.00 99.00 N +ATOM 1266 CA LEU A 157 4.203 -10.417 12.282 1.00 99.00 C +ATOM 1267 C LEU A 157 4.377 -10.240 13.792 1.00 99.00 C +ATOM 1268 O LEU A 157 5.405 -10.638 14.346 1.00 99.00 O +ATOM 1269 CB LEU A 157 4.682 -9.160 11.546 1.00 99.00 C +ATOM 1270 CG LEU A 157 4.898 -9.298 10.040 1.00 99.00 C +ATOM 1271 CD1 LEU A 157 5.156 -7.930 9.415 1.00 99.00 C +ATOM 1272 CD2 LEU A 157 6.050 -10.249 9.733 1.00 99.00 C +ATOM 1273 N LEU A 158 3.372 -9.659 14.446 1.00 99.00 N +ATOM 1274 CA LEU A 158 3.444 -9.398 15.887 1.00 99.00 C +ATOM 1275 C LEU A 158 3.491 -10.675 16.726 1.00 99.00 C +ATOM 1276 O LEU A 158 3.840 -10.611 17.908 1.00 99.00 O +ATOM 1277 CB LEU A 158 2.279 -8.511 16.338 1.00 99.00 C +ATOM 1278 CG LEU A 158 2.360 -7.035 15.939 1.00 99.00 C +ATOM 1279 CD1 LEU A 158 1.034 -6.341 16.223 1.00 99.00 C +ATOM 1280 CD2 LEU A 158 3.507 -6.331 16.653 1.00 99.00 C +ATOM 1281 N LYS A 159 3.153 -11.820 16.139 1.00 98.99 N +ATOM 1282 CA LYS A 159 3.294 -13.101 16.841 1.00 98.99 C +ATOM 1283 C LYS A 159 4.759 -13.407 17.162 1.00 98.99 C +ATOM 1284 O LYS A 159 5.042 -14.087 18.153 1.00 98.99 O +ATOM 1285 CB LYS A 159 2.714 -14.251 16.010 1.00 98.99 C +ATOM 1286 CG LYS A 159 1.211 -14.187 15.807 1.00 98.99 C +ATOM 1287 CD LYS A 159 0.760 -15.324 14.901 1.00 98.99 C +ATOM 1288 CE LYS A 159 -0.729 -15.267 14.652 1.00 98.99 C +ATOM 1289 NZ LYS A 159 -1.159 -16.344 13.716 1.00 98.99 N +ATOM 1290 N TYR A 160 5.687 -12.908 16.328 1.00 99.00 N +ATOM 1291 CA TYR A 160 7.119 -13.211 16.455 1.00 99.00 C +ATOM 1292 C TYR A 160 7.996 -11.973 16.628 1.00 99.00 C +ATOM 1293 O TYR A 160 9.178 -12.114 16.941 1.00 99.00 O +ATOM 1294 CB TYR A 160 7.596 -14.014 15.241 1.00 99.00 C +ATOM 1295 CG TYR A 160 7.040 -15.413 15.197 1.00 99.00 C +ATOM 1296 CD1 TYR A 160 7.734 -16.467 15.775 1.00 99.00 C +ATOM 1297 CD2 TYR A 160 5.813 -15.675 14.602 1.00 99.00 C +ATOM 1298 CE1 TYR A 160 7.222 -17.755 15.750 1.00 99.00 C +ATOM 1299 CE2 TYR A 160 5.286 -16.965 14.571 1.00 99.00 C +ATOM 1300 CZ TYR A 160 5.997 -17.999 15.148 1.00 99.00 C +ATOM 1301 OH TYR A 160 5.487 -19.269 15.118 1.00 99.00 O +ATOM 1302 N HIS A 161 7.444 -10.777 16.412 1.00 99.00 N +ATOM 1303 CA HIS A 161 8.210 -9.533 16.455 1.00 99.00 C +ATOM 1304 C HIS A 161 7.613 -8.584 17.484 1.00 99.00 C +ATOM 1305 O HIS A 161 6.424 -8.279 17.427 1.00 99.00 O +ATOM 1306 CB HIS A 161 8.246 -8.867 15.078 1.00 99.00 C +ATOM 1307 CG HIS A 161 8.894 -9.710 14.032 1.00 99.00 C +ATOM 1308 ND1 HIS A 161 10.249 -9.687 13.790 1.00 99.00 N +ATOM 1309 CD2 HIS A 161 8.364 -10.630 13.181 1.00 99.00 C +ATOM 1310 CE1 HIS A 161 10.525 -10.553 12.830 1.00 99.00 C +ATOM 1311 NE2 HIS A 161 9.395 -11.141 12.435 1.00 99.00 N +ATOM 1312 N GLN A 162 8.452 -8.112 18.420 1.00 99.00 N +ATOM 1313 CA GLN A 162 7.992 -7.191 19.452 1.00 99.00 C +ATOM 1314 C GLN A 162 7.591 -5.835 18.866 1.00 99.00 C +ATOM 1315 O GLN A 162 6.608 -5.237 19.316 1.00 99.00 O +ATOM 1316 CB GLN A 162 9.074 -7.017 20.524 1.00 99.00 C +ATOM 1317 CG GLN A 162 8.665 -6.118 21.691 1.00 99.00 C +ATOM 1318 CD GLN A 162 7.521 -6.685 22.512 1.00 99.00 C +ATOM 1319 OE1 GLN A 162 7.293 -7.891 22.552 1.00 99.00 O +ATOM 1320 NE2 GLN A 162 6.794 -5.808 23.186 1.00 99.00 N +ATOM 1321 N ARG A 163 8.333 -5.361 17.857 1.00 99.00 N +ATOM 1322 CA ARG A 163 8.093 -4.049 17.246 1.00 99.00 C +ATOM 1323 C ARG A 163 8.112 -4.163 15.728 1.00 99.00 C +ATOM 1324 O ARG A 163 9.093 -4.655 15.152 1.00 99.00 O +ATOM 1325 CB ARG A 163 9.146 -3.031 17.710 1.00 99.00 C +ATOM 1326 CG ARG A 163 9.057 -2.696 19.199 1.00 99.00 C +ATOM 1327 CD ARG A 163 10.125 -1.681 19.615 1.00 99.00 C +ATOM 1328 NE ARG A 163 11.468 -2.178 19.338 1.00 99.00 N +ATOM 1329 CZ ARG A 163 12.118 -3.049 20.112 1.00 99.00 C +ATOM 1330 NH1 ARG A 163 11.567 -3.513 21.217 1.00 99.00 N +ATOM 1331 NH2 ARG A 163 13.331 -3.457 19.761 1.00 99.00 N +ATOM 1332 N VAL A 164 7.037 -3.700 15.096 1.00 99.00 N +ATOM 1333 CA VAL A 164 6.908 -3.686 13.641 1.00 99.00 C +ATOM 1334 C VAL A 164 6.789 -2.239 13.173 1.00 99.00 C +ATOM 1335 O VAL A 164 6.027 -1.458 13.754 1.00 99.00 O +ATOM 1336 CB VAL A 164 5.696 -4.515 13.166 1.00 99.00 C +ATOM 1337 CG1 VAL A 164 5.541 -4.451 11.646 1.00 99.00 C +ATOM 1338 CG2 VAL A 164 5.824 -5.964 13.627 1.00 99.00 C +ATOM 1339 N LEU A 165 7.541 -1.895 12.139 1.00 99.00 N +ATOM 1340 CA LEU A 165 7.476 -0.570 11.525 1.00 99.00 C +ATOM 1341 C LEU A 165 6.669 -0.648 10.238 1.00 99.00 C +ATOM 1342 O LEU A 165 6.962 -1.474 9.372 1.00 99.00 O +ATOM 1343 CB LEU A 165 8.883 -0.039 11.240 1.00 99.00 C +ATOM 1344 CG LEU A 165 8.978 1.254 10.420 1.00 99.00 C +ATOM 1345 CD1 LEU A 165 8.305 2.416 11.142 1.00 99.00 C +ATOM 1346 CD2 LEU A 165 10.436 1.579 10.137 1.00 99.00 C +ATOM 1347 N TYR A 166 5.667 0.217 10.113 1.00 99.00 N +ATOM 1348 CA TYR A 166 4.875 0.347 8.897 1.00 99.00 C +ATOM 1349 C TYR A 166 5.199 1.680 8.226 1.00 99.00 C +ATOM 1350 O TYR A 166 5.122 2.728 8.872 1.00 99.00 O +ATOM 1351 CB TYR A 166 3.377 0.256 9.219 1.00 99.00 C +ATOM 1352 CG TYR A 166 2.489 0.574 8.036 1.00 99.00 C +ATOM 1353 CD1 TYR A 166 2.366 -0.313 6.976 1.00 99.00 C +ATOM 1354 CD2 TYR A 166 1.792 1.782 7.980 1.00 99.00 C +ATOM 1355 CE1 TYR A 166 1.563 -0.010 5.880 1.00 99.00 C +ATOM 1356 CE2 TYR A 166 0.987 2.093 6.886 1.00 99.00 C +ATOM 1357 CZ TYR A 166 0.876 1.193 5.840 1.00 99.00 C +ATOM 1358 OH TYR A 166 0.090 1.497 4.760 1.00 99.00 O +ATOM 1359 N ILE A 167 5.538 1.634 6.938 1.00 99.00 N +ATOM 1360 CA ILE A 167 5.870 2.826 6.151 1.00 99.00 C +ATOM 1361 C ILE A 167 4.944 2.881 4.939 1.00 99.00 C +ATOM 1362 O ILE A 167 4.771 1.875 4.247 1.00 99.00 O +ATOM 1363 CB ILE A 167 7.342 2.806 5.681 1.00 99.00 C +ATOM 1364 CG1 ILE A 167 8.302 2.648 6.865 1.00 99.00 C +ATOM 1365 CG2 ILE A 167 7.662 4.079 4.886 1.00 99.00 C +ATOM 1366 CD1 ILE A 167 9.727 2.294 6.448 1.00 99.00 C +ATOM 1367 N ASP A 168 4.373 4.059 4.672 1.00 99.00 N +ATOM 1368 CA ASP A 168 3.348 4.218 3.638 1.00 99.00 C +ATOM 1369 C ASP A 168 3.730 5.373 2.706 1.00 99.00 C +ATOM 1370 O ASP A 168 3.714 6.528 3.126 1.00 99.00 O +ATOM 1371 CB ASP A 168 2.007 4.494 4.329 1.00 99.00 C +ATOM 1372 CG ASP A 168 0.801 4.394 3.414 1.00 99.00 C +ATOM 1373 OD1 ASP A 168 0.851 4.920 2.287 1.00 99.00 O +ATOM 1374 OD2 ASP A 168 -0.214 3.807 3.857 1.00 99.00 O +ATOM 1375 N ILE A 169 4.051 5.048 1.435 1.00 99.00 N +ATOM 1376 CA ILE A 169 4.418 6.079 0.452 1.00 99.00 C +ATOM 1377 C ILE A 169 3.339 6.298 -0.619 1.00 99.00 C +ATOM 1378 O ILE A 169 3.584 6.983 -1.613 1.00 99.00 O +ATOM 1379 CB ILE A 169 5.817 5.829 -0.172 1.00 99.00 C +ATOM 1380 CG1 ILE A 169 5.869 4.489 -0.914 1.00 99.00 C +ATOM 1381 CG2 ILE A 169 6.906 5.911 0.900 1.00 99.00 C +ATOM 1382 CD1 ILE A 169 7.116 4.300 -1.770 1.00 99.00 C +ATOM 1383 N ASP A 170 2.160 5.738 -0.429 1.00 99.00 N +ATOM 1384 CA ASP A 170 0.967 6.091 -1.204 1.00 99.00 C +ATOM 1385 C ASP A 170 0.739 7.603 -1.073 1.00 99.00 C +ATOM 1386 O ASP A 170 1.123 8.189 -0.059 1.00 99.00 O +ATOM 1387 CB ASP A 170 -0.233 5.331 -0.632 1.00 99.00 C +ATOM 1388 CG ASP A 170 -1.433 5.266 -1.549 1.00 99.00 C +ATOM 1389 OD1 ASP A 170 -1.613 4.221 -2.224 1.00 99.00 O +ATOM 1390 OD2 ASP A 170 -2.206 6.247 -1.560 1.00 99.00 O +ATOM 1391 N ILE A 171 0.132 8.231 -2.086 1.00 99.00 N +ATOM 1392 CA ILE A 171 -0.152 9.662 -1.971 1.00 99.00 C +ATOM 1393 C ILE A 171 -1.197 9.956 -0.887 1.00 99.00 C +ATOM 1394 O ILE A 171 -1.253 11.075 -0.370 1.00 99.00 O +ATOM 1395 CB ILE A 171 -0.580 10.285 -3.326 1.00 99.00 C +ATOM 1396 CG1 ILE A 171 -0.456 11.818 -3.279 1.00 99.00 C +ATOM 1397 CG2 ILE A 171 -1.992 9.855 -3.723 1.00 99.00 C +ATOM 1398 CD1 ILE A 171 -0.663 12.505 -4.622 1.00 99.00 C +ATOM 1399 N HIS A 172 -2.011 8.951 -0.531 1.00 99.00 N +ATOM 1400 CA HIS A 172 -3.056 9.101 0.480 1.00 99.00 C +ATOM 1401 C HIS A 172 -2.574 8.600 1.833 1.00 99.00 C +ATOM 1402 O HIS A 172 -1.835 7.623 1.930 1.00 99.00 O +ATOM 1403 CB HIS A 172 -4.323 8.338 0.076 1.00 99.00 C +ATOM 1404 CG HIS A 172 -4.882 8.787 -1.231 1.00 99.00 C +ATOM 1405 ND1 HIS A 172 -4.601 8.155 -2.439 1.00 99.00 N +ATOM 1406 CD2 HIS A 172 -5.706 9.830 -1.522 1.00 99.00 C +ATOM 1407 CE1 HIS A 172 -5.204 8.770 -3.421 1.00 99.00 C +ATOM 1408 NE2 HIS A 172 -5.908 9.815 -2.897 1.00 99.00 N +ATOM 1409 N HIS A 173 -3.027 9.265 2.872 1.00 99.00 N +ATOM 1410 CA HIS A 173 -2.723 8.885 4.250 1.00 99.00 C +ATOM 1411 C HIS A 173 -3.163 7.445 4.520 1.00 99.00 C +ATOM 1412 O HIS A 173 -4.269 7.056 4.155 1.00 99.00 O +ATOM 1413 CB HIS A 173 -3.426 9.845 5.208 1.00 99.00 C +ATOM 1414 CG HIS A 173 -3.232 9.515 6.652 1.00 99.00 C +ATOM 1415 ND1 HIS A 173 -4.295 9.382 7.527 1.00 99.00 N +ATOM 1416 CD2 HIS A 173 -2.109 9.270 7.366 1.00 99.00 C +ATOM 1417 CE1 HIS A 173 -3.816 9.076 8.721 1.00 99.00 C +ATOM 1418 NE2 HIS A 173 -2.497 9.004 8.653 1.00 99.00 N +ATOM 1419 N GLY A 174 -2.298 6.672 5.154 1.00 99.00 N +ATOM 1420 CA GLY A 174 -2.601 5.292 5.525 1.00 99.00 C +ATOM 1421 C GLY A 174 -3.432 5.225 6.797 1.00 99.00 C +ATOM 1422 O GLY A 174 -2.967 4.725 7.825 1.00 99.00 O +ATOM 1423 N ASP A 175 -4.658 5.711 6.693 1.00 99.00 N +ATOM 1424 CA ASP A 175 -5.483 5.958 7.886 1.00 99.00 C +ATOM 1425 C ASP A 175 -5.985 4.681 8.561 1.00 99.00 C +ATOM 1426 O ASP A 175 -6.101 4.640 9.787 1.00 99.00 O +ATOM 1427 CB ASP A 175 -6.655 6.892 7.543 1.00 99.00 C +ATOM 1428 CG ASP A 175 -7.589 6.320 6.482 1.00 99.00 C +ATOM 1429 OD1 ASP A 175 -8.764 6.757 6.431 1.00 99.00 O +ATOM 1430 OD2 ASP A 175 -7.161 5.469 5.678 1.00 99.00 O +ATOM 1431 N GLY A 176 -6.295 3.647 7.787 1.00 99.00 N +ATOM 1432 CA GLY A 176 -6.797 2.393 8.344 1.00 99.00 C +ATOM 1433 C GLY A 176 -5.755 1.686 9.195 1.00 99.00 C +ATOM 1434 O GLY A 176 -6.082 1.139 10.250 1.00 99.00 O +ATOM 1435 N VAL A 177 -4.511 1.690 8.731 1.00 99.00 N +ATOM 1436 CA VAL A 177 -3.414 1.060 9.469 1.00 99.00 C +ATOM 1437 C VAL A 177 -3.078 1.889 10.708 1.00 99.00 C +ATOM 1438 O VAL A 177 -2.903 1.341 11.799 1.00 99.00 O +ATOM 1439 CB VAL A 177 -2.170 0.865 8.574 1.00 99.00 C +ATOM 1440 CG1 VAL A 177 -1.087 0.090 9.320 1.00 99.00 C +ATOM 1441 CG2 VAL A 177 -2.543 0.143 7.285 1.00 99.00 C +ATOM 1442 N GLU A 178 -3.001 3.210 10.542 1.00 99.00 N +ATOM 1443 CA GLU A 178 -2.748 4.107 11.671 1.00 99.00 C +ATOM 1444 C GLU A 178 -3.805 3.917 12.757 1.00 99.00 C +ATOM 1445 O GLU A 178 -3.465 3.783 13.937 1.00 99.00 O +ATOM 1446 CB GLU A 178 -2.719 5.569 11.216 1.00 99.00 C +ATOM 1447 CG GLU A 178 -2.463 6.558 12.350 1.00 99.00 C +ATOM 1448 CD GLU A 178 -2.472 7.996 11.871 1.00 99.00 C +ATOM 1449 OE1 GLU A 178 -1.456 8.421 11.295 1.00 99.00 O +ATOM 1450 OE2 GLU A 178 -3.497 8.686 12.072 1.00 99.00 O +ATOM 1451 N GLU A 179 -5.084 3.885 12.361 1.00 99.00 N +ATOM 1452 CA GLU A 179 -6.185 3.744 13.309 1.00 99.00 C +ATOM 1453 C GLU A 179 -6.095 2.431 14.086 1.00 99.00 C +ATOM 1454 O GLU A 179 -6.296 2.419 15.301 1.00 99.00 O +ATOM 1455 CB GLU A 179 -7.527 3.847 12.578 1.00 99.00 C +ATOM 1456 CG GLU A 179 -8.747 3.705 13.474 1.00 99.00 C +ATOM 1457 CD GLU A 179 -10.044 3.801 12.694 1.00 99.00 C +ATOM 1458 OE1 GLU A 179 -10.518 2.760 12.195 1.00 99.00 O +ATOM 1459 OE2 GLU A 179 -10.569 4.925 12.565 1.00 99.00 O +ATOM 1460 N ALA A 180 -5.793 1.342 13.395 1.00 99.00 N +ATOM 1461 CA ALA A 180 -5.722 0.023 14.021 1.00 99.00 C +ATOM 1462 C ALA A 180 -4.666 -0.040 15.128 1.00 99.00 C +ATOM 1463 O ALA A 180 -4.858 -0.745 16.119 1.00 99.00 O +ATOM 1464 CB ALA A 180 -5.432 -1.039 12.966 1.00 99.00 C +ATOM 1465 N PHE A 181 -3.576 0.711 14.956 1.00 99.00 N +ATOM 1466 CA PHE A 181 -2.440 0.624 15.874 1.00 99.00 C +ATOM 1467 C PHE A 181 -2.168 1.926 16.625 1.00 99.00 C +ATOM 1468 O PHE A 181 -1.082 2.115 17.173 1.00 99.00 O +ATOM 1469 CB PHE A 181 -1.199 0.148 15.111 1.00 99.00 C +ATOM 1470 CG PHE A 181 -1.378 -1.218 14.493 1.00 99.00 C +ATOM 1471 CD1 PHE A 181 -1.417 -1.372 13.117 1.00 99.00 C +ATOM 1472 CD2 PHE A 181 -1.548 -2.341 15.290 1.00 99.00 C +ATOM 1473 CE1 PHE A 181 -1.599 -2.629 12.540 1.00 99.00 C +ATOM 1474 CE2 PHE A 181 -1.732 -3.602 14.727 1.00 99.00 C +ATOM 1475 CZ PHE A 181 -1.758 -3.740 13.350 1.00 99.00 C +ATOM 1476 N TYR A 182 -3.179 2.813 16.699 1.00 99.00 N +ATOM 1477 CA TYR A 182 -3.001 4.169 17.220 1.00 99.00 C +ATOM 1478 C TYR A 182 -2.659 4.220 18.705 1.00 99.00 C +ATOM 1479 O TYR A 182 -2.045 5.188 19.160 1.00 99.00 O +ATOM 1480 CB TYR A 182 -4.259 4.999 16.966 1.00 99.00 C +ATOM 1481 CG TYR A 182 -4.012 6.488 16.864 1.00 99.00 C +ATOM 1482 CD1 TYR A 182 -4.572 7.377 17.784 1.00 99.00 C +ATOM 1483 CD2 TYR A 182 -3.236 7.008 15.829 1.00 99.00 C +ATOM 1484 CE1 TYR A 182 -4.374 8.752 17.677 1.00 99.00 C +ATOM 1485 CE2 TYR A 182 -3.027 8.387 15.713 1.00 99.00 C +ATOM 1486 CZ TYR A 182 -3.600 9.251 16.636 1.00 99.00 C +ATOM 1487 OH TYR A 182 -3.402 10.608 16.522 1.00 99.00 O +ATOM 1488 N THR A 183 -3.036 3.201 19.463 1.00 99.00 N +ATOM 1489 CA THR A 183 -2.861 3.216 20.913 1.00 99.00 C +ATOM 1490 C THR A 183 -1.851 2.175 21.398 1.00 99.00 C +ATOM 1491 O THR A 183 -1.826 1.847 22.581 1.00 99.00 O +ATOM 1492 CB THR A 183 -4.212 3.034 21.632 1.00 99.00 C +ATOM 1493 OG1 THR A 183 -4.796 1.799 21.229 1.00 99.00 O +ATOM 1494 CG2 THR A 183 -5.162 4.185 21.309 1.00 99.00 C +ATOM 1495 N THR A 184 -1.003 1.675 20.497 1.00 98.99 N +ATOM 1496 CA THR A 184 0.022 0.702 20.886 1.00 98.99 C +ATOM 1497 C THR A 184 1.403 1.150 20.417 1.00 98.99 C +ATOM 1498 O THR A 184 1.542 1.786 19.374 1.00 98.99 O +ATOM 1499 CB THR A 184 -0.283 -0.716 20.355 1.00 98.99 C +ATOM 1500 OG1 THR A 184 0.758 -1.606 20.778 1.00 98.99 O +ATOM 1501 CG2 THR A 184 -0.352 -0.753 18.830 1.00 98.99 C +ATOM 1502 N ASP A 185 2.421 0.799 21.194 1.00 99.00 N +ATOM 1503 CA ASP A 185 3.812 1.052 20.826 1.00 99.00 C +ATOM 1504 C ASP A 185 4.445 -0.135 20.095 1.00 99.00 C +ATOM 1505 O ASP A 185 5.620 -0.070 19.735 1.00 99.00 O +ATOM 1506 CB ASP A 185 4.642 1.446 22.055 1.00 99.00 C +ATOM 1507 CG ASP A 185 4.661 0.402 23.165 1.00 99.00 C +ATOM 1508 OD1 ASP A 185 4.010 -0.660 23.037 1.00 99.00 O +ATOM 1509 OD2 ASP A 185 5.336 0.657 24.193 1.00 99.00 O +ATOM 1510 N ARG A 186 3.661 -1.197 19.857 1.00 99.00 N +ATOM 1511 CA ARG A 186 4.187 -2.383 19.174 1.00 99.00 C +ATOM 1512 C ARG A 186 4.212 -2.234 17.651 1.00 99.00 C +ATOM 1513 O ARG A 186 4.850 -3.045 16.971 1.00 99.00 O +ATOM 1514 CB ARG A 186 3.421 -3.632 19.601 1.00 99.00 C +ATOM 1515 CG ARG A 186 3.688 -4.005 21.065 1.00 99.00 C +ATOM 1516 CD ARG A 186 3.343 -5.456 21.348 1.00 99.00 C +ATOM 1517 NE ARG A 186 4.138 -6.353 20.525 1.00 99.00 N +ATOM 1518 CZ ARG A 186 3.779 -7.597 20.194 1.00 99.00 C +ATOM 1519 NH1 ARG A 186 2.637 -8.114 20.634 1.00 99.00 N +ATOM 1520 NH2 ARG A 186 4.575 -8.313 19.422 1.00 99.00 N +ATOM 1521 N VAL A 187 3.534 -1.211 17.136 1.00 98.99 N +ATOM 1522 CA VAL A 187 3.588 -0.864 15.713 1.00 98.99 C +ATOM 1523 C VAL A 187 3.762 0.642 15.600 1.00 98.99 C +ATOM 1524 O VAL A 187 2.967 1.397 16.161 1.00 98.99 O +ATOM 1525 CB VAL A 187 2.318 -1.288 14.944 1.00 98.99 C +ATOM 1526 CG1 VAL A 187 2.443 -0.953 13.451 1.00 98.99 C +ATOM 1527 CG2 VAL A 187 2.045 -2.780 15.128 1.00 98.99 C +ATOM 1528 N MET A 188 4.807 1.075 14.889 1.00 99.00 N +ATOM 1529 CA MET A 188 4.951 2.482 14.542 1.00 99.00 C +ATOM 1530 C MET A 188 4.498 2.643 13.096 1.00 99.00 C +ATOM 1531 O MET A 188 4.963 1.914 12.217 1.00 99.00 O +ATOM 1532 CB MET A 188 6.390 2.970 14.704 1.00 99.00 C +ATOM 1533 CG MET A 188 6.560 4.443 14.318 1.00 99.00 C +ATOM 1534 SD MET A 188 8.210 5.076 14.595 1.00 99.00 S +ATOM 1535 CE MET A 188 8.131 5.436 16.340 1.00 99.00 C +ATOM 1536 N THR A 189 3.598 3.605 12.859 1.00 99.00 N +ATOM 1537 CA THR A 189 3.106 3.873 11.509 1.00 99.00 C +ATOM 1538 C THR A 189 3.677 5.208 11.033 1.00 99.00 C +ATOM 1539 O THR A 189 3.617 6.209 11.752 1.00 99.00 O +ATOM 1540 CB THR A 189 1.567 3.871 11.446 1.00 99.00 C +ATOM 1541 OG1 THR A 189 1.045 4.861 12.321 1.00 99.00 O +ATOM 1542 CG2 THR A 189 1.004 2.509 11.835 1.00 99.00 C +ATOM 1543 N VAL A 190 4.252 5.193 9.834 1.00 99.00 N +ATOM 1544 CA VAL A 190 4.869 6.374 9.239 1.00 99.00 C +ATOM 1545 C VAL A 190 4.277 6.571 7.848 1.00 99.00 C +ATOM 1546 O VAL A 190 4.443 5.717 6.981 1.00 99.00 O +ATOM 1547 CB VAL A 190 6.406 6.232 9.147 1.00 99.00 C +ATOM 1548 CG1 VAL A 190 7.027 7.507 8.579 1.00 99.00 C +ATOM 1549 CG2 VAL A 190 7.004 5.907 10.516 1.00 99.00 C +ATOM 1550 N SER A 191 3.586 7.701 7.642 1.00 99.00 N +ATOM 1551 CA SER A 191 2.922 7.975 6.371 1.00 99.00 C +ATOM 1552 C SER A 191 3.385 9.306 5.788 1.00 99.00 C +ATOM 1553 O SER A 191 3.382 10.327 6.485 1.00 99.00 O +ATOM 1554 CB SER A 191 1.403 7.972 6.548 1.00 99.00 C +ATOM 1555 OG SER A 191 0.732 8.220 5.328 1.00 99.00 O +ATOM 1556 N PHE A 192 3.782 9.279 4.509 1.00 99.00 N +ATOM 1557 CA PHE A 192 4.116 10.466 3.726 1.00 99.00 C +ATOM 1558 C PHE A 192 2.999 10.624 2.699 1.00 99.00 C +ATOM 1559 O PHE A 192 2.776 9.712 1.911 1.00 99.00 O +ATOM 1560 CB PHE A 192 5.458 10.281 3.003 1.00 99.00 C +ATOM 1561 CG PHE A 192 6.620 9.919 3.899 1.00 99.00 C +ATOM 1562 CD1 PHE A 192 6.828 8.603 4.286 1.00 99.00 C +ATOM 1563 CD2 PHE A 192 7.497 10.890 4.353 1.00 99.00 C +ATOM 1564 CE1 PHE A 192 7.899 8.265 5.115 1.00 99.00 C +ATOM 1565 CE2 PHE A 192 8.570 10.561 5.175 1.00 99.00 C +ATOM 1566 CZ PHE A 192 8.767 9.250 5.556 1.00 99.00 C +ATOM 1567 N HIS A 193 2.280 11.772 2.683 1.00 99.00 N +ATOM 1568 CA HIS A 193 1.058 11.867 1.879 1.00 99.00 C +ATOM 1569 C HIS A 193 0.675 13.312 1.596 1.00 99.00 C +ATOM 1570 O HIS A 193 1.082 14.228 2.318 1.00 99.00 O +ATOM 1571 CB HIS A 193 -0.106 11.171 2.611 1.00 99.00 C +ATOM 1572 CG HIS A 193 -0.219 11.616 4.035 1.00 99.00 C +ATOM 1573 ND1 HIS A 193 0.389 10.965 5.094 1.00 99.00 N +ATOM 1574 CD2 HIS A 193 -0.830 12.720 4.576 1.00 99.00 C +ATOM 1575 CE1 HIS A 193 0.156 11.608 6.215 1.00 99.00 C +ATOM 1576 NE2 HIS A 193 -0.580 12.709 5.936 1.00 99.00 N +ATOM 1577 N LYS A 194 -0.120 13.495 0.562 1.00 98.99 N +ATOM 1578 CA LYS A 194 -0.760 14.782 0.275 1.00 98.99 C +ATOM 1579 C LYS A 194 -1.770 15.081 1.380 1.00 98.99 C +ATOM 1580 O LYS A 194 -2.546 14.201 1.767 1.00 98.99 O +ATOM 1581 CB LYS A 194 -1.443 14.729 -1.097 1.00 98.99 C +ATOM 1582 CG LYS A 194 -2.554 15.750 -1.339 1.00 98.99 C +ATOM 1583 CD LYS A 194 -2.062 17.136 -1.653 1.00 98.99 C +ATOM 1584 CE LYS A 194 -3.247 18.059 -1.959 1.00 98.99 C +ATOM 1585 NZ LYS A 194 -2.810 19.454 -2.180 1.00 98.99 N +ATOM 1586 N TYR A 195 -1.748 16.308 1.884 1.00 99.00 N +ATOM 1587 CA TYR A 195 -2.650 16.718 2.947 1.00 99.00 C +ATOM 1588 C TYR A 195 -3.240 18.087 2.637 1.00 99.00 C +ATOM 1589 O TYR A 195 -2.519 18.989 2.214 1.00 99.00 O +ATOM 1590 CB TYR A 195 -1.915 16.748 4.291 1.00 99.00 C +ATOM 1591 CG TYR A 195 -2.804 17.044 5.471 1.00 99.00 C +ATOM 1592 CD1 TYR A 195 -2.827 18.314 6.041 1.00 99.00 C +ATOM 1593 CD2 TYR A 195 -3.625 16.056 6.007 1.00 99.00 C +ATOM 1594 CE1 TYR A 195 -3.645 18.597 7.127 1.00 99.00 C +ATOM 1595 CE2 TYR A 195 -4.447 16.331 7.094 1.00 99.00 C +ATOM 1596 CZ TYR A 195 -4.451 17.602 7.648 1.00 99.00 C +ATOM 1597 OH TYR A 195 -5.262 17.873 8.721 1.00 99.00 O +ATOM 1598 N GLY A 196 -4.542 18.244 2.861 1.00 98.72 N +ATOM 1599 CA GLY A 196 -5.278 19.486 2.641 1.00 98.72 C +ATOM 1600 C GLY A 196 -6.262 19.318 1.500 1.00 98.72 C +ATOM 1601 O GLY A 196 -5.855 19.188 0.352 1.00 98.72 O +ATOM 1602 N GLU A 197 -7.549 19.306 1.824 1.00 98.04 N +ATOM 1603 CA GLU A 197 -8.629 19.130 0.849 1.00 98.04 C +ATOM 1604 C GLU A 197 -8.384 17.892 -0.024 1.00 98.04 C +ATOM 1605 O GLU A 197 -8.468 17.943 -1.253 1.00 98.04 O +ATOM 1606 CB GLU A 197 -8.789 20.379 -0.026 1.00 98.04 C +ATOM 1607 CG GLU A 197 -9.397 21.562 0.715 1.00 98.04 C +ATOM 1608 CD GLU A 197 -9.719 22.749 -0.182 1.00 98.04 C +ATOM 1609 OE1 GLU A 197 -9.796 23.881 0.352 1.00 98.04 O +ATOM 1610 OE2 GLU A 197 -9.901 22.563 -1.402 1.00 98.04 O +ATOM 1611 N TYR A 198 -8.041 16.777 0.622 1.00 98.85 N +ATOM 1612 CA TYR A 198 -7.649 15.565 -0.088 1.00 98.85 C +ATOM 1613 C TYR A 198 -8.027 14.338 0.725 1.00 98.85 C +ATOM 1614 O TYR A 198 -7.919 14.350 1.957 1.00 98.85 O +ATOM 1615 CB TYR A 198 -6.142 15.579 -0.361 1.00 98.85 C +ATOM 1616 CG TYR A 198 -5.700 14.749 -1.536 1.00 98.85 C +ATOM 1617 CD1 TYR A 198 -4.967 13.580 -1.363 1.00 98.85 C +ATOM 1618 CD2 TYR A 198 -6.019 15.154 -2.838 1.00 98.85 C +ATOM 1619 CE1 TYR A 198 -4.546 12.824 -2.456 1.00 98.85 C +ATOM 1620 CE2 TYR A 198 -5.606 14.401 -3.938 1.00 98.85 C +ATOM 1621 CZ TYR A 198 -4.867 13.240 -3.744 1.00 98.85 C +ATOM 1622 OH TYR A 198 -4.453 12.500 -4.821 1.00 98.85 O +ATOM 1623 N PHE A 199 -8.476 13.289 0.027 1.00 98.99 N +ATOM 1624 CA PHE A 199 -8.873 12.046 0.684 1.00 98.99 C +ATOM 1625 C PHE A 199 -7.683 11.430 1.423 1.00 98.99 C +ATOM 1626 O PHE A 199 -6.571 11.430 0.881 1.00 98.99 O +ATOM 1627 CB PHE A 199 -9.425 11.067 -0.363 1.00 98.99 C +ATOM 1628 CG PHE A 199 -9.950 9.784 0.224 1.00 98.99 C +ATOM 1629 CD1 PHE A 199 -9.107 8.687 0.386 1.00 98.99 C +ATOM 1630 CD2 PHE A 199 -11.270 9.689 0.657 1.00 98.99 C +ATOM 1631 CE1 PHE A 199 -9.578 7.512 0.959 1.00 98.99 C +ATOM 1632 CE2 PHE A 199 -11.748 8.518 1.228 1.00 98.99 C +ATOM 1633 CZ PHE A 199 -10.895 7.430 1.379 1.00 98.99 C +ATOM 1634 N PRO A 200 -7.860 10.906 2.641 1.00 98.99 N +ATOM 1635 CA PRO A 200 -9.116 10.757 3.391 1.00 98.99 C +ATOM 1636 C PRO A 200 -9.379 11.880 4.397 1.00 98.99 C +ATOM 1637 O PRO A 200 -10.326 11.789 5.172 1.00 98.99 O +ATOM 1638 CB PRO A 200 -8.921 9.417 4.113 1.00 98.99 C +ATOM 1639 CG PRO A 200 -7.450 9.426 4.440 1.00 98.99 C +ATOM 1640 CD PRO A 200 -6.780 10.106 3.251 1.00 98.99 C +ATOM 1641 N GLY A 201 -8.555 12.923 4.393 1.00 98.99 N +ATOM 1642 CA GLY A 201 -8.759 14.067 5.268 1.00 98.99 C +ATOM 1643 C GLY A 201 -8.035 13.987 6.600 1.00 98.99 C +ATOM 1644 O GLY A 201 -8.147 14.903 7.409 1.00 98.99 O +ATOM 1645 N THR A 202 -7.313 12.906 6.809 1.00 99.00 N +ATOM 1646 CA THR A 202 -6.569 12.679 8.050 1.00 99.00 C +ATOM 1647 C THR A 202 -5.064 12.746 7.783 1.00 99.00 C +ATOM 1648 O THR A 202 -4.631 12.997 6.653 1.00 99.00 O +ATOM 1649 CB THR A 202 -6.974 11.327 8.676 1.00 99.00 C +ATOM 1650 OG1 THR A 202 -6.857 10.302 7.684 1.00 99.00 O +ATOM 1651 CG2 THR A 202 -8.404 11.367 9.200 1.00 99.00 C +ATOM 1652 N GLY A 203 -4.260 12.561 8.829 1.00 99.00 N +ATOM 1653 CA GLY A 203 -2.810 12.541 8.685 1.00 99.00 C +ATOM 1654 C GLY A 203 -2.127 13.879 8.868 1.00 99.00 C +ATOM 1655 O GLY A 203 -1.076 14.118 8.266 1.00 99.00 O +ATOM 1656 N ASP A 204 -2.710 14.729 9.698 1.00 98.99 N +ATOM 1657 CA ASP A 204 -2.050 15.965 10.122 1.00 98.99 C +ATOM 1658 C ASP A 204 -0.763 15.593 10.869 1.00 98.99 C +ATOM 1659 O ASP A 204 -0.712 14.549 11.525 1.00 98.99 O +ATOM 1660 CB ASP A 204 -2.991 16.741 11.047 1.00 98.99 C +ATOM 1661 CG ASP A 204 -2.543 18.160 11.316 1.00 98.99 C +ATOM 1662 OD1 ASP A 204 -1.521 18.355 11.995 1.00 98.99 O +ATOM 1663 OD2 ASP A 204 -3.232 19.082 10.845 1.00 98.99 O +ATOM 1664 N LEU A 205 0.261 16.435 10.794 1.00 93.75 N +ATOM 1665 CA LEU A 205 1.512 16.137 11.501 1.00 93.75 C +ATOM 1666 C LEU A 205 1.329 16.118 13.017 1.00 93.75 C +ATOM 1667 O LEU A 205 2.162 15.547 13.722 1.00 93.75 O +ATOM 1668 CB LEU A 205 2.640 17.099 11.077 1.00 93.75 C +ATOM 1669 CG LEU A 205 2.905 18.359 11.882 1.00 93.75 C +ATOM 1670 CD1 LEU A 205 4.391 18.698 11.826 1.00 93.75 C +ATOM 1671 CD2 LEU A 205 2.077 19.499 11.337 1.00 93.75 C +ATOM 1672 N ARG A 206 0.229 16.715 13.503 1.00 98.98 N +ATOM 1673 CA ARG A 206 -0.080 16.718 14.936 1.00 98.98 C +ATOM 1674 C ARG A 206 -0.799 15.448 15.392 1.00 98.98 C +ATOM 1675 O ARG A 206 -1.030 15.285 16.594 1.00 98.98 O +ATOM 1676 CB ARG A 206 -0.887 17.975 15.280 1.00 98.98 C +ATOM 1677 CG ARG A 206 -0.055 19.256 15.154 1.00 98.98 C +ATOM 1678 CD ARG A 206 -0.909 20.515 15.097 1.00 98.98 C +ATOM 1679 NE ARG A 206 -1.658 20.613 13.849 1.00 98.98 N +ATOM 1680 CZ ARG A 206 -2.345 21.679 13.449 1.00 98.98 C +ATOM 1681 NH1 ARG A 206 -2.386 22.765 14.203 1.00 98.98 N +ATOM 1682 NH2 ARG A 206 -2.995 21.657 12.292 1.00 98.98 N +ATOM 1683 N ASP A 207 -1.129 14.545 14.458 1.00 98.99 N +ATOM 1684 CA ASP A 207 -1.665 13.227 14.796 1.00 98.99 C +ATOM 1685 C ASP A 207 -0.483 12.311 15.103 1.00 98.99 C +ATOM 1686 O ASP A 207 0.217 11.868 14.195 1.00 98.99 O +ATOM 1687 CB ASP A 207 -2.523 12.674 13.661 1.00 98.99 C +ATOM 1688 CG ASP A 207 -3.787 13.491 13.424 1.00 98.99 C +ATOM 1689 OD1 ASP A 207 -4.329 13.433 12.299 1.00 98.99 O +ATOM 1690 OD2 ASP A 207 -4.252 14.195 14.358 1.00 98.99 O +ATOM 1691 N ILE A 208 -0.234 12.077 16.384 1.00 99.00 N +ATOM 1692 CA ILE A 208 0.994 11.410 16.829 1.00 99.00 C +ATOM 1693 C ILE A 208 0.754 10.115 17.618 1.00 99.00 C +ATOM 1694 O ILE A 208 1.704 9.548 18.161 1.00 99.00 O +ATOM 1695 CB ILE A 208 1.882 12.380 17.652 1.00 99.00 C +ATOM 1696 CG1 ILE A 208 1.164 12.869 18.914 1.00 99.00 C +ATOM 1697 CG2 ILE A 208 2.333 13.551 16.780 1.00 99.00 C +ATOM 1698 CD1 ILE A 208 2.060 13.612 19.900 1.00 99.00 C +ATOM 1699 N GLY A 209 -0.484 9.646 17.681 1.00 99.00 N +ATOM 1700 CA GLY A 209 -0.830 8.481 18.476 1.00 99.00 C +ATOM 1701 C GLY A 209 -1.439 8.888 19.805 1.00 99.00 C +ATOM 1702 O GLY A 209 -1.511 10.076 20.125 1.00 99.00 O +ATOM 1703 N ALA A 210 -1.877 7.908 20.593 1.00 99.00 N +ATOM 1704 CA ALA A 210 -2.532 8.156 21.870 1.00 99.00 C +ATOM 1705 C ALA A 210 -2.231 7.035 22.856 1.00 99.00 C +ATOM 1706 O ALA A 210 -1.944 5.907 22.457 1.00 99.00 O +ATOM 1707 CB ALA A 210 -4.038 8.301 21.683 1.00 99.00 C +ATOM 1708 N GLY A 211 -2.307 7.351 24.138 1.00 98.99 N +ATOM 1709 CA GLY A 211 -2.041 6.381 25.190 1.00 98.99 C +ATOM 1710 C GLY A 211 -0.627 5.836 25.073 1.00 98.99 C +ATOM 1711 O GLY A 211 0.326 6.604 24.896 1.00 98.99 O +ATOM 1712 N LYS A 212 -0.480 4.526 25.149 1.00 98.96 N +ATOM 1713 CA LYS A 212 0.817 3.866 24.957 1.00 98.96 C +ATOM 1714 C LYS A 212 1.398 4.144 23.570 1.00 98.96 C +ATOM 1715 O LYS A 212 2.611 4.102 23.392 1.00 98.96 O +ATOM 1716 CB LYS A 212 0.702 2.357 25.168 1.00 98.96 C +ATOM 1717 CG LYS A 212 0.595 1.936 26.625 1.00 98.96 C +ATOM 1718 CD LYS A 212 0.503 0.422 26.754 1.00 98.96 C +ATOM 1719 CE LYS A 212 1.783 -0.270 26.332 1.00 98.96 C +ATOM 1720 NZ LYS A 212 1.668 -1.757 26.418 1.00 98.96 N +ATOM 1721 N GLY A 213 0.524 4.437 22.590 1.00 99.00 N +ATOM 1722 CA GLY A 213 0.933 4.712 21.220 1.00 99.00 C +ATOM 1723 C GLY A 213 1.323 6.155 20.943 1.00 99.00 C +ATOM 1724 O GLY A 213 1.630 6.478 19.795 1.00 99.00 O +ATOM 1725 N LYS A 214 1.324 7.020 21.959 1.00 99.00 N +ATOM 1726 CA LYS A 214 1.723 8.413 21.750 1.00 99.00 C +ATOM 1727 C LYS A 214 3.179 8.469 21.289 1.00 99.00 C +ATOM 1728 O LYS A 214 4.050 7.865 21.913 1.00 99.00 O +ATOM 1729 CB LYS A 214 1.519 9.261 23.009 1.00 99.00 C +ATOM 1730 CG LYS A 214 1.670 10.757 22.746 1.00 99.00 C +ATOM 1731 CD LYS A 214 1.346 11.603 23.963 1.00 99.00 C +ATOM 1732 CE LYS A 214 1.588 13.073 23.675 1.00 99.00 C +ATOM 1733 NZ LYS A 214 1.426 13.913 24.891 1.00 99.00 N +ATOM 1734 N TYR A 215 3.408 9.163 20.181 1.00 99.00 N +ATOM 1735 CA TYR A 215 4.676 9.300 19.461 1.00 99.00 C +ATOM 1736 C TYR A 215 4.998 8.107 18.558 1.00 99.00 C +ATOM 1737 O TYR A 215 6.073 8.078 17.962 1.00 99.00 O +ATOM 1738 CB TYR A 215 5.856 9.618 20.396 1.00 99.00 C +ATOM 1739 CG TYR A 215 5.647 10.856 21.240 1.00 99.00 C +ATOM 1740 CD1 TYR A 215 5.606 12.116 20.648 1.00 99.00 C +ATOM 1741 CD2 TYR A 215 5.471 10.761 22.617 1.00 99.00 C +ATOM 1742 CE1 TYR A 215 5.402 13.256 21.416 1.00 99.00 C +ATOM 1743 CE2 TYR A 215 5.269 11.894 23.391 1.00 99.00 C +ATOM 1744 CZ TYR A 215 5.232 13.139 22.789 1.00 99.00 C +ATOM 1745 OH TYR A 215 5.032 14.260 23.547 1.00 99.00 O +ATOM 1746 N TYR A 216 4.059 7.154 18.431 1.00 99.00 N +ATOM 1747 CA TYR A 216 4.245 5.978 17.577 1.00 99.00 C +ATOM 1748 C TYR A 216 3.428 6.048 16.283 1.00 99.00 C +ATOM 1749 O TYR A 216 3.347 5.067 15.546 1.00 99.00 O +ATOM 1750 CB TYR A 216 3.966 4.694 18.372 1.00 99.00 C +ATOM 1751 CG TYR A 216 4.987 4.476 19.469 1.00 99.00 C +ATOM 1752 CD1 TYR A 216 4.799 5.004 20.739 1.00 99.00 C +ATOM 1753 CD2 TYR A 216 6.169 3.782 19.207 1.00 99.00 C +ATOM 1754 CE1 TYR A 216 5.758 4.843 21.737 1.00 99.00 C +ATOM 1755 CE2 TYR A 216 7.135 3.611 20.195 1.00 99.00 C +ATOM 1756 CZ TYR A 216 6.924 4.144 21.461 1.00 99.00 C +ATOM 1757 OH TYR A 216 7.872 3.989 22.440 1.00 99.00 O +ATOM 1758 N ALA A 217 2.842 7.221 15.987 1.00 99.00 N +ATOM 1759 CA ALA A 217 2.246 7.533 14.694 1.00 99.00 C +ATOM 1760 C ALA A 217 2.960 8.769 14.162 1.00 99.00 C +ATOM 1761 O ALA A 217 3.061 9.777 14.867 1.00 99.00 O +ATOM 1762 CB ALA A 217 0.743 7.775 14.817 1.00 99.00 C +ATOM 1763 N VAL A 218 3.484 8.675 12.947 1.00 99.00 N +ATOM 1764 CA VAL A 218 4.269 9.738 12.324 1.00 99.00 C +ATOM 1765 C VAL A 218 3.619 10.094 10.990 1.00 99.00 C +ATOM 1766 O VAL A 218 3.390 9.208 10.165 1.00 99.00 O +ATOM 1767 CB VAL A 218 5.735 9.298 12.096 1.00 99.00 C +ATOM 1768 CG1 VAL A 218 6.548 10.411 11.444 1.00 99.00 C +ATOM 1769 CG2 VAL A 218 6.387 8.862 13.408 1.00 99.00 C +ATOM 1770 N ASN A 219 3.329 11.385 10.788 1.00 99.00 N +ATOM 1771 CA ASN A 219 2.683 11.839 9.557 1.00 99.00 C +ATOM 1772 C ASN A 219 3.448 13.002 8.954 1.00 99.00 C +ATOM 1773 O ASN A 219 3.692 14.000 9.633 1.00 99.00 O +ATOM 1774 CB ASN A 219 1.236 12.259 9.825 1.00 99.00 C +ATOM 1775 CG ASN A 219 0.349 11.070 10.121 1.00 99.00 C +ATOM 1776 OD1 ASN A 219 0.070 10.262 9.235 1.00 99.00 O +ATOM 1777 ND2 ASN A 219 -0.091 10.944 11.359 1.00 99.00 N +ATOM 1778 N PHE A 220 3.810 12.869 7.675 1.00 99.00 N +ATOM 1779 CA PHE A 220 4.488 13.933 6.939 1.00 99.00 C +ATOM 1780 C PHE A 220 3.520 14.487 5.891 1.00 99.00 C +ATOM 1781 O PHE A 220 3.407 13.925 4.794 1.00 99.00 O +ATOM 1782 CB PHE A 220 5.774 13.401 6.298 1.00 99.00 C +ATOM 1783 CG PHE A 220 6.765 14.496 5.959 1.00 99.00 C +ATOM 1784 CD1 PHE A 220 8.048 14.485 6.494 1.00 99.00 C +ATOM 1785 CD2 PHE A 220 6.417 15.548 5.123 1.00 99.00 C +ATOM 1786 CE1 PHE A 220 8.958 15.497 6.196 1.00 99.00 C +ATOM 1787 CE2 PHE A 220 7.318 16.568 4.820 1.00 99.00 C +ATOM 1788 CZ PHE A 220 8.583 16.536 5.359 1.00 99.00 C +ATOM 1789 N PRO A 221 2.802 15.561 6.226 1.00 99.00 N +ATOM 1790 CA PRO A 221 1.836 16.129 5.288 1.00 99.00 C +ATOM 1791 C PRO A 221 2.533 16.930 4.191 1.00 99.00 C +ATOM 1792 O PRO A 221 3.421 17.740 4.478 1.00 99.00 O +ATOM 1793 CB PRO A 221 0.977 17.033 6.178 1.00 99.00 C +ATOM 1794 CG PRO A 221 1.903 17.451 7.286 1.00 99.00 C +ATOM 1795 CD PRO A 221 2.801 16.259 7.527 1.00 99.00 C +ATOM 1796 N MET A 222 2.115 16.716 2.929 1.00 99.00 N +ATOM 1797 CA MET A 222 2.771 17.321 1.773 1.00 99.00 C +ATOM 1798 C MET A 222 1.783 18.096 0.916 1.00 99.00 C +ATOM 1799 O MET A 222 0.570 17.904 1.013 1.00 99.00 O +ATOM 1800 CB MET A 222 3.446 16.242 0.925 1.00 99.00 C +ATOM 1801 CG MET A 222 4.603 15.575 1.636 1.00 99.00 C +ATOM 1802 SD MET A 222 5.185 14.140 0.735 1.00 99.00 S +ATOM 1803 CE MET A 222 6.626 13.722 1.699 1.00 99.00 C +ATOM 1804 N ARG A 223 2.318 18.973 0.063 1.00 99.00 N +ATOM 1805 CA ARG A 223 1.555 19.756 -0.896 1.00 99.00 C +ATOM 1806 C ARG A 223 1.742 19.181 -2.301 1.00 99.00 C +ATOM 1807 O ARG A 223 2.553 18.272 -2.508 1.00 99.00 O +ATOM 1808 CB ARG A 223 1.987 21.230 -0.861 1.00 99.00 C +ATOM 1809 CG ARG A 223 2.016 21.858 0.528 1.00 99.00 C +ATOM 1810 CD ARG A 223 0.654 21.846 1.217 1.00 99.00 C +ATOM 1811 NE ARG A 223 0.692 22.629 2.446 1.00 99.00 N +ATOM 1812 CZ ARG A 223 0.047 22.339 3.571 1.00 99.00 C +ATOM 1813 NH1 ARG A 223 -0.730 21.258 3.654 1.00 99.00 N +ATOM 1814 NH2 ARG A 223 0.163 23.136 4.618 1.00 99.00 N +ATOM 1815 N ASP A 224 0.993 19.712 -3.264 1.00 99.00 N +ATOM 1816 CA ASP A 224 1.070 19.268 -4.657 1.00 99.00 C +ATOM 1817 C ASP A 224 2.492 19.369 -5.201 1.00 99.00 C +ATOM 1818 O ASP A 224 3.252 20.262 -4.828 1.00 99.00 O +ATOM 1819 CB ASP A 224 0.174 20.124 -5.554 1.00 99.00 C +ATOM 1820 CG ASP A 224 -1.307 19.903 -5.353 1.00 99.00 C +ATOM 1821 OD1 ASP A 224 -1.692 19.037 -4.548 1.00 99.00 O +ATOM 1822 OD2 ASP A 224 -2.088 20.622 -6.017 1.00 99.00 O +ATOM 1823 N GLY A 225 2.810 18.457 -6.119 1.00 99.00 N +ATOM 1824 CA GLY A 225 3.977 18.596 -6.975 1.00 99.00 C +ATOM 1825 C GLY A 225 5.316 18.166 -6.409 1.00 99.00 C +ATOM 1826 O GLY A 225 6.337 18.486 -7.018 1.00 99.00 O +ATOM 1827 N ILE A 226 5.341 17.451 -5.277 1.00 99.00 N +ATOM 1828 CA ILE A 226 6.631 17.041 -4.727 1.00 99.00 C +ATOM 1829 C ILE A 226 7.399 16.219 -5.763 1.00 99.00 C +ATOM 1830 O ILE A 226 6.819 15.404 -6.491 1.00 99.00 O +ATOM 1831 CB ILE A 226 6.485 16.298 -3.375 1.00 99.00 C +ATOM 1832 CG1 ILE A 226 7.842 16.255 -2.655 1.00 99.00 C +ATOM 1833 CG2 ILE A 226 5.886 14.900 -3.541 1.00 99.00 C +ATOM 1834 CD1 ILE A 226 7.758 15.892 -1.184 1.00 99.00 C +ATOM 1835 N ASP A 227 8.705 16.467 -5.865 1.00 98.99 N +ATOM 1836 CA ASP A 227 9.570 15.811 -6.842 1.00 98.99 C +ATOM 1837 C ASP A 227 10.559 14.865 -6.154 1.00 98.99 C +ATOM 1838 O ASP A 227 10.615 14.792 -4.923 1.00 98.99 O +ATOM 1839 CB ASP A 227 10.272 16.846 -7.741 1.00 98.99 C +ATOM 1840 CG ASP A 227 11.103 17.868 -6.985 1.00 98.99 C +ATOM 1841 OD1 ASP A 227 11.528 17.612 -5.837 1.00 98.99 O +ATOM 1842 OD2 ASP A 227 11.342 18.956 -7.555 1.00 98.99 O +ATOM 1843 N ASP A 228 11.335 14.130 -6.955 1.00 99.00 N +ATOM 1844 CA ASP A 228 12.285 13.137 -6.436 1.00 99.00 C +ATOM 1845 C ASP A 228 13.270 13.740 -5.441 1.00 99.00 C +ATOM 1846 O ASP A 228 13.558 13.141 -4.405 1.00 99.00 O +ATOM 1847 CB ASP A 228 13.082 12.500 -7.579 1.00 99.00 C +ATOM 1848 CG ASP A 228 12.254 11.646 -8.513 1.00 99.00 C +ATOM 1849 OD1 ASP A 228 11.096 11.316 -8.191 1.00 99.00 O +ATOM 1850 OD2 ASP A 228 12.782 11.304 -9.601 1.00 99.00 O +ATOM 1851 N GLU A 229 13.816 14.912 -5.783 1.00 98.81 N +ATOM 1852 CA GLU A 229 14.835 15.560 -4.961 1.00 98.81 C +ATOM 1853 C GLU A 229 14.272 15.932 -3.589 1.00 98.81 C +ATOM 1854 O GLU A 229 14.895 15.644 -2.565 1.00 98.81 O +ATOM 1855 CB GLU A 229 15.388 16.785 -5.688 1.00 98.81 C +ATOM 1856 CG GLU A 229 16.612 17.404 -5.043 1.00 98.81 C +ATOM 1857 CD GLU A 229 17.158 18.562 -5.853 1.00 98.81 C +ATOM 1858 OE1 GLU A 229 17.959 18.315 -6.775 1.00 98.81 O +ATOM 1859 OE2 GLU A 229 16.781 19.712 -5.565 1.00 98.81 O +ATOM 1860 N SER A 230 13.078 16.543 -3.565 1.00 98.84 N +ATOM 1861 CA SER A 230 12.422 16.943 -2.319 1.00 98.84 C +ATOM 1862 C SER A 230 12.058 15.728 -1.471 1.00 98.84 C +ATOM 1863 O SER A 230 12.257 15.741 -0.254 1.00 98.84 O +ATOM 1864 CB SER A 230 11.163 17.757 -2.611 1.00 98.84 C +ATOM 1865 OG SER A 230 11.469 18.937 -3.323 1.00 98.84 O +ATOM 1866 N TYR A 231 11.529 14.677 -2.106 1.00 98.99 N +ATOM 1867 CA TYR A 231 11.115 13.465 -1.390 1.00 98.99 C +ATOM 1868 C TYR A 231 12.322 12.765 -0.774 1.00 98.99 C +ATOM 1869 O TYR A 231 12.297 12.382 0.403 1.00 98.99 O +ATOM 1870 CB TYR A 231 10.352 12.520 -2.328 1.00 98.99 C +ATOM 1871 CG TYR A 231 9.310 11.653 -1.655 1.00 98.99 C +ATOM 1872 CD1 TYR A 231 7.957 11.986 -1.760 1.00 98.99 C +ATOM 1873 CD2 TYR A 231 9.649 10.514 -0.936 1.00 98.99 C +ATOM 1874 CE1 TYR A 231 6.973 11.199 -1.173 1.00 98.99 C +ATOM 1875 CE2 TYR A 231 8.670 9.721 -0.337 1.00 98.99 C +ATOM 1876 CZ TYR A 231 7.331 10.070 -0.461 1.00 98.99 C +ATOM 1877 OH TYR A 231 6.356 9.288 0.121 1.00 98.99 O +ATOM 1878 N GLY A 232 13.394 12.620 -1.562 1.00 98.87 N +ATOM 1879 CA GLY A 232 14.627 11.985 -1.094 1.00 98.87 C +ATOM 1880 C GLY A 232 15.292 12.743 0.042 1.00 98.87 C +ATOM 1881 O GLY A 232 15.905 12.135 0.928 1.00 98.87 O +ATOM 1882 N GLN A 233 15.145 14.068 0.018 1.00 96.49 N +ATOM 1883 CA GLN A 233 15.687 14.981 1.029 1.00 96.49 C +ATOM 1884 C GLN A 233 15.146 14.678 2.430 1.00 96.49 C +ATOM 1885 O GLN A 233 15.836 14.939 3.426 1.00 96.49 O +ATOM 1886 CB GLN A 233 15.343 16.414 0.606 1.00 96.49 C +ATOM 1887 CG GLN A 233 15.708 17.532 1.559 1.00 96.49 C +ATOM 1888 CD GLN A 233 14.993 18.835 1.203 1.00 96.49 C +ATOM 1889 OE1 GLN A 233 14.189 18.889 0.264 1.00 96.49 O +ATOM 1890 NE2 GLN A 233 15.264 19.887 1.955 1.00 96.49 N +ATOM 1891 N ILE A 234 13.920 14.138 2.506 1.00 98.27 N +ATOM 1892 CA ILE A 234 13.310 13.889 3.813 1.00 98.27 C +ATOM 1893 C ILE A 234 13.093 12.405 4.122 1.00 98.27 C +ATOM 1894 O ILE A 234 13.110 12.030 5.296 1.00 98.27 O +ATOM 1895 CB ILE A 234 11.997 14.698 4.028 1.00 98.27 C +ATOM 1896 CG1 ILE A 234 10.941 14.382 2.963 1.00 98.27 C +ATOM 1897 CG2 ILE A 234 12.293 16.199 4.060 1.00 98.27 C +ATOM 1898 CD1 ILE A 234 10.080 13.172 3.288 1.00 98.27 C +ATOM 1899 N PHE A 235 12.909 11.570 3.095 1.00 99.00 N +ATOM 1900 CA PHE A 235 12.588 10.164 3.349 1.00 99.00 C +ATOM 1901 C PHE A 235 13.711 9.432 4.087 1.00 99.00 C +ATOM 1902 O PHE A 235 13.462 8.803 5.117 1.00 99.00 O +ATOM 1903 CB PHE A 235 12.223 9.432 2.050 1.00 99.00 C +ATOM 1904 CG PHE A 235 11.711 8.032 2.296 1.00 99.00 C +ATOM 1905 CD1 PHE A 235 12.574 6.943 2.261 1.00 99.00 C +ATOM 1906 CD2 PHE A 235 10.366 7.816 2.600 1.00 99.00 C +ATOM 1907 CE1 PHE A 235 12.106 5.652 2.515 1.00 99.00 C +ATOM 1908 CE2 PHE A 235 9.890 6.526 2.855 1.00 99.00 C +ATOM 1909 CZ PHE A 235 10.766 5.449 2.810 1.00 99.00 C +ATOM 1910 N LYS A 236 14.934 9.519 3.573 1.00 98.93 N +ATOM 1911 CA LYS A 236 16.049 8.800 4.204 1.00 98.93 C +ATOM 1912 C LYS A 236 16.337 9.311 5.622 1.00 98.93 C +ATOM 1913 O LYS A 236 16.449 8.490 6.538 1.00 98.93 O +ATOM 1914 CB LYS A 236 17.310 8.820 3.332 1.00 98.93 C +ATOM 1915 CG LYS A 236 18.427 7.970 3.930 1.00 98.93 C +ATOM 1916 CD LYS A 236 19.652 7.855 3.049 1.00 98.93 C +ATOM 1917 CE LYS A 236 20.695 6.973 3.710 1.00 98.93 C +ATOM 1918 NZ LYS A 236 21.908 6.816 2.875 1.00 98.93 N +ATOM 1919 N PRO A 237 16.449 10.637 5.853 1.00 98.97 N +ATOM 1920 CA PRO A 237 16.666 11.099 7.232 1.00 98.97 C +ATOM 1921 C PRO A 237 15.562 10.679 8.201 1.00 98.97 C +ATOM 1922 O PRO A 237 15.872 10.266 9.326 1.00 98.97 O +ATOM 1923 CB PRO A 237 16.733 12.625 7.085 1.00 98.97 C +ATOM 1924 CG PRO A 237 17.224 12.835 5.696 1.00 98.97 C +ATOM 1925 CD PRO A 237 16.570 11.751 4.886 1.00 98.97 C +ATOM 1926 N ILE A 238 14.290 10.776 7.793 1.00 99.00 N +ATOM 1927 CA ILE A 238 13.177 10.408 8.672 1.00 99.00 C +ATOM 1928 C ILE A 238 13.214 8.912 8.989 1.00 99.00 C +ATOM 1929 O ILE A 238 13.125 8.525 10.161 1.00 99.00 O +ATOM 1930 CB ILE A 238 11.810 10.817 8.062 1.00 99.00 C +ATOM 1931 CG1 ILE A 238 11.639 12.346 8.052 1.00 99.00 C +ATOM 1932 CG2 ILE A 238 10.648 10.131 8.804 1.00 99.00 C +ATOM 1933 CD1 ILE A 238 11.391 12.985 9.408 1.00 99.00 C +ATOM 1934 N ILE A 239 13.347 8.076 7.956 1.00 99.00 N +ATOM 1935 CA ILE A 239 13.354 6.625 8.180 1.00 99.00 C +ATOM 1936 C ILE A 239 14.588 6.202 8.977 1.00 99.00 C +ATOM 1937 O ILE A 239 14.490 5.339 9.856 1.00 99.00 O +ATOM 1938 CB ILE A 239 13.201 5.843 6.853 1.00 99.00 C +ATOM 1939 CG1 ILE A 239 11.836 6.145 6.212 1.00 99.00 C +ATOM 1940 CG2 ILE A 239 13.390 4.340 7.075 1.00 99.00 C +ATOM 1941 CD1 ILE A 239 10.607 5.878 7.075 1.00 99.00 C +ATOM 1942 N SER A 240 15.737 6.825 8.724 1.00 98.99 N +ATOM 1943 CA SER A 240 16.952 6.533 9.493 1.00 98.99 C +ATOM 1944 C SER A 240 16.763 6.853 10.974 1.00 98.99 C +ATOM 1945 O SER A 240 17.153 6.058 11.834 1.00 98.99 O +ATOM 1946 CB SER A 240 18.148 7.303 8.936 1.00 98.99 C +ATOM 1947 OG SER A 240 18.479 6.814 7.646 1.00 98.99 O +ATOM 1948 N LYS A 241 16.146 8.000 11.267 1.00 99.00 N +ATOM 1949 CA LYS A 241 15.889 8.375 12.668 1.00 99.00 C +ATOM 1950 C LYS A 241 14.868 7.436 13.310 1.00 99.00 C +ATOM 1951 O LYS A 241 15.026 7.062 14.472 1.00 99.00 O +ATOM 1952 CB LYS A 241 15.435 9.837 12.755 1.00 99.00 C +ATOM 1953 CG LYS A 241 15.203 10.349 14.168 1.00 99.00 C +ATOM 1954 CD LYS A 241 16.451 10.308 15.050 1.00 99.00 C +ATOM 1955 CE LYS A 241 17.500 11.296 14.596 1.00 99.00 C +ATOM 1956 NZ LYS A 241 18.652 11.343 15.554 1.00 99.00 N +ATOM 1957 N VAL A 242 13.833 7.057 12.544 1.00 99.00 N +ATOM 1958 CA VAL A 242 12.835 6.099 13.032 1.00 99.00 C +ATOM 1959 C VAL A 242 13.502 4.759 13.371 1.00 99.00 C +ATOM 1960 O VAL A 242 13.233 4.191 14.435 1.00 99.00 O +ATOM 1961 CB VAL A 242 11.684 5.919 12.011 1.00 99.00 C +ATOM 1962 CG1 VAL A 242 10.853 4.669 12.314 1.00 99.00 C +ATOM 1963 CG2 VAL A 242 10.788 7.154 11.998 1.00 99.00 C +ATOM 1964 N MET A 243 14.372 4.270 12.482 1.00 99.00 N +ATOM 1965 CA MET A 243 15.086 3.007 12.712 1.00 99.00 C +ATOM 1966 C MET A 243 15.954 3.092 13.965 1.00 99.00 C +ATOM 1967 O MET A 243 15.982 2.154 14.768 1.00 99.00 O +ATOM 1968 CB MET A 243 15.948 2.627 11.507 1.00 99.00 C +ATOM 1969 CG MET A 243 15.154 2.232 10.269 1.00 99.00 C +ATOM 1970 SD MET A 243 14.268 0.679 10.458 1.00 99.00 S +ATOM 1971 CE MET A 243 13.722 0.440 8.775 1.00 99.00 C +ATOM 1972 N GLU A 244 16.655 4.212 14.131 1.00 98.99 N +ATOM 1973 CA GLU A 244 17.528 4.439 15.286 1.00 98.99 C +ATOM 1974 C GLU A 244 16.736 4.414 16.596 1.00 98.99 C +ATOM 1975 O GLU A 244 17.132 3.740 17.554 1.00 98.99 O +ATOM 1976 CB GLU A 244 18.259 5.778 15.137 1.00 98.99 C +ATOM 1977 CG GLU A 244 19.142 6.136 16.324 1.00 98.99 C +ATOM 1978 CD GLU A 244 19.650 7.569 16.309 1.00 98.99 C +ATOM 1979 OE1 GLU A 244 19.563 8.237 15.247 1.00 98.99 O +ATOM 1980 OE2 GLU A 244 20.132 8.029 17.361 1.00 98.99 O +ATOM 1981 N MET A 245 15.633 5.146 16.618 1.00 99.00 N +ATOM 1982 CA MET A 245 14.867 5.332 17.852 1.00 99.00 C +ATOM 1983 C MET A 245 13.927 4.161 18.159 1.00 99.00 C +ATOM 1984 O MET A 245 13.779 3.780 19.321 1.00 99.00 O +ATOM 1985 CB MET A 245 14.068 6.637 17.791 1.00 99.00 C +ATOM 1986 CG MET A 245 14.943 7.888 17.670 1.00 99.00 C +ATOM 1987 SD MET A 245 16.198 8.036 18.972 1.00 99.00 S +ATOM 1988 CE MET A 245 15.181 8.147 20.438 1.00 99.00 C +ATOM 1989 N TYR A 246 13.282 3.597 17.127 1.00 99.00 N +ATOM 1990 CA TYR A 246 12.260 2.568 17.335 1.00 99.00 C +ATOM 1991 C TYR A 246 12.828 1.151 17.332 1.00 99.00 C +ATOM 1992 O TYR A 246 12.300 0.268 18.017 1.00 99.00 O +ATOM 1993 CB TYR A 246 11.150 2.706 16.290 1.00 99.00 C +ATOM 1994 CG TYR A 246 9.949 1.822 16.546 1.00 99.00 C +ATOM 1995 CD1 TYR A 246 9.468 0.966 15.556 1.00 99.00 C +ATOM 1996 CD2 TYR A 246 9.294 1.848 17.782 1.00 99.00 C +ATOM 1997 CE1 TYR A 246 8.360 0.151 15.778 1.00 99.00 C +ATOM 1998 CE2 TYR A 246 8.180 1.035 18.019 1.00 99.00 C +ATOM 1999 CZ TYR A 246 7.718 0.189 17.013 1.00 99.00 C +ATOM 2000 OH TYR A 246 6.630 -0.614 17.244 1.00 99.00 O +ATOM 2001 N GLN A 247 13.865 0.910 16.577 1.00 98.99 N +ATOM 2002 CA GLN A 247 14.547 -0.387 16.473 1.00 98.99 C +ATOM 2003 C GLN A 247 13.566 -1.533 16.199 1.00 98.99 C +ATOM 2004 O GLN A 247 13.479 -2.491 16.972 1.00 98.99 O +ATOM 2005 CB GLN A 247 15.388 -0.663 17.728 1.00 98.99 C +ATOM 2006 CG GLN A 247 16.467 0.379 17.960 1.00 98.99 C +ATOM 2007 CD GLN A 247 17.293 0.096 19.192 1.00 98.99 C +ATOM 2008 OE1 GLN A 247 16.868 0.349 20.318 1.00 98.99 O +ATOM 2009 NE2 GLN A 247 18.477 -0.453 18.992 1.00 98.99 N +ATOM 2010 N PRO A 248 12.819 -1.439 15.089 1.00 99.00 N +ATOM 2011 CA PRO A 248 11.888 -2.518 14.764 1.00 99.00 C +ATOM 2012 C PRO A 248 12.641 -3.776 14.342 1.00 99.00 C +ATOM 2013 O PRO A 248 13.788 -3.694 13.894 1.00 99.00 O +ATOM 2014 CB PRO A 248 11.086 -1.960 13.586 1.00 99.00 C +ATOM 2015 CG PRO A 248 12.069 -1.067 12.888 1.00 99.00 C +ATOM 2016 CD PRO A 248 12.868 -0.428 14.013 1.00 99.00 C +ATOM 2017 N SER A 249 11.990 -4.926 14.448 1.00 98.99 N +ATOM 2018 CA SER A 249 12.578 -6.172 13.960 1.00 98.99 C +ATOM 2019 C SER A 249 11.944 -6.654 12.655 1.00 98.99 C +ATOM 2020 O SER A 249 12.416 -7.634 12.080 1.00 98.99 O +ATOM 2021 CB SER A 249 12.513 -7.257 15.033 1.00 98.99 C +ATOM 2022 OG SER A 249 11.191 -7.432 15.501 1.00 98.99 O +ATOM 2023 N ALA A 250 10.896 -5.968 12.177 1.00 99.00 N +ATOM 2024 CA ALA A 250 10.277 -6.259 10.887 1.00 99.00 C +ATOM 2025 C ALA A 250 9.664 -4.983 10.335 1.00 99.00 C +ATOM 2026 O ALA A 250 9.258 -4.106 11.107 1.00 99.00 O +ATOM 2027 CB ALA A 250 9.215 -7.350 11.012 1.00 99.00 C +ATOM 2028 N VAL A 251 9.605 -4.883 9.004 1.00 99.00 N +ATOM 2029 CA VAL A 251 9.095 -3.692 8.329 1.00 99.00 C +ATOM 2030 C VAL A 251 8.053 -4.089 7.292 1.00 99.00 C +ATOM 2031 O VAL A 251 8.219 -5.090 6.587 1.00 99.00 O +ATOM 2032 CB VAL A 251 10.230 -2.895 7.638 1.00 99.00 C +ATOM 2033 CG1 VAL A 251 9.690 -1.616 7.001 1.00 99.00 C +ATOM 2034 CG2 VAL A 251 11.346 -2.566 8.623 1.00 99.00 C +ATOM 2035 N VAL A 252 6.993 -3.287 7.196 1.00 99.00 N +ATOM 2036 CA VAL A 252 6.006 -3.397 6.127 1.00 99.00 C +ATOM 2037 C VAL A 252 6.030 -2.083 5.357 1.00 99.00 C +ATOM 2038 O VAL A 252 5.878 -1.017 5.958 1.00 99.00 O +ATOM 2039 CB VAL A 252 4.592 -3.696 6.675 1.00 99.00 C +ATOM 2040 CG1 VAL A 252 3.569 -3.739 5.542 1.00 99.00 C +ATOM 2041 CG2 VAL A 252 4.586 -5.005 7.462 1.00 99.00 C +ATOM 2042 N LEU A 253 6.233 -2.155 4.042 1.00 99.00 N +ATOM 2043 CA LEU A 253 6.309 -0.970 3.188 1.00 99.00 C +ATOM 2044 C LEU A 253 5.174 -1.001 2.173 1.00 99.00 C +ATOM 2045 O LEU A 253 5.141 -1.870 1.302 1.00 99.00 O +ATOM 2046 CB LEU A 253 7.670 -0.899 2.485 1.00 99.00 C +ATOM 2047 CG LEU A 253 7.880 0.245 1.481 1.00 99.00 C +ATOM 2048 CD1 LEU A 253 7.741 1.607 2.149 1.00 99.00 C +ATOM 2049 CD2 LEU A 253 9.240 0.116 0.816 1.00 99.00 C +ATOM 2050 N GLN A 254 4.248 -0.048 2.305 1.00 98.99 N +ATOM 2051 CA GLN A 254 3.149 0.111 1.354 1.00 98.99 C +ATOM 2052 C GLN A 254 3.645 1.026 0.242 1.00 98.99 C +ATOM 2053 O GLN A 254 4.022 2.175 0.510 1.00 98.99 O +ATOM 2054 CB GLN A 254 1.914 0.689 2.062 1.00 98.99 C +ATOM 2055 CG GLN A 254 0.587 0.481 1.306 1.00 98.99 C +ATOM 2056 CD GLN A 254 0.225 1.636 0.386 1.00 98.99 C +ATOM 2057 OE1 GLN A 254 1.052 2.452 -0.000 1.00 98.99 O +ATOM 2058 NE2 GLN A 254 -1.046 1.722 0.030 1.00 98.99 N +ATOM 2059 N CYS A 255 3.652 0.510 -0.990 1.00 99.00 N +ATOM 2060 CA CYS A 255 4.263 1.175 -2.140 1.00 99.00 C +ATOM 2061 C CYS A 255 3.243 1.726 -3.135 1.00 99.00 C +ATOM 2062 O CYS A 255 3.444 1.631 -4.351 1.00 99.00 O +ATOM 2063 CB CYS A 255 5.212 0.206 -2.856 1.00 99.00 C +ATOM 2064 SG CYS A 255 6.526 -0.461 -1.816 1.00 99.00 S +ATOM 2065 N GLY A 256 2.145 2.296 -2.638 1.00 99.00 N +ATOM 2066 CA GLY A 256 1.138 2.879 -3.514 1.00 99.00 C +ATOM 2067 C GLY A 256 1.781 3.776 -4.564 1.00 99.00 C +ATOM 2068 O GLY A 256 2.586 4.643 -4.231 1.00 99.00 O +ATOM 2069 N ALA A 257 1.439 3.546 -5.834 1.00 99.00 N +ATOM 2070 CA ALA A 257 2.076 4.229 -6.953 1.00 99.00 C +ATOM 2071 C ALA A 257 1.302 5.466 -7.419 1.00 99.00 C +ATOM 2072 O ALA A 257 1.653 6.049 -8.447 1.00 99.00 O +ATOM 2073 CB ALA A 257 2.300 3.245 -8.101 1.00 99.00 C +ATOM 2074 N ASP A 258 0.291 5.883 -6.658 1.00 99.00 N +ATOM 2075 CA ASP A 258 -0.452 7.103 -6.989 1.00 99.00 C +ATOM 2076 C ASP A 258 0.317 8.367 -6.593 1.00 99.00 C +ATOM 2077 O ASP A 258 -0.155 9.481 -6.838 1.00 99.00 O +ATOM 2078 CB ASP A 258 -1.883 7.084 -6.415 1.00 99.00 C +ATOM 2079 CG ASP A 258 -1.999 6.682 -4.958 1.00 99.00 C +ATOM 2080 OD1 ASP A 258 -0.963 6.524 -4.277 1.00 99.00 O +ATOM 2081 OD2 ASP A 258 -3.154 6.498 -4.497 1.00 99.00 O +ATOM 2082 N SER A 259 1.508 8.196 -6.037 1.00 99.00 N +ATOM 2083 CA SER A 259 2.437 9.293 -5.765 1.00 99.00 C +ATOM 2084 C SER A 259 3.359 9.586 -6.956 1.00 99.00 C +ATOM 2085 O SER A 259 4.215 10.475 -6.863 1.00 99.00 O +ATOM 2086 CB SER A 259 3.239 9.007 -4.491 1.00 99.00 C +ATOM 2087 OG SER A 259 3.624 7.647 -4.418 1.00 99.00 O +ATOM 2088 N LEU A 260 3.172 8.868 -8.072 1.00 99.00 N +ATOM 2089 CA LEU A 260 3.940 9.107 -9.291 1.00 99.00 C +ATOM 2090 C LEU A 260 3.386 10.285 -10.086 1.00 99.00 C +ATOM 2091 O LEU A 260 2.182 10.550 -10.075 1.00 99.00 O +ATOM 2092 CB LEU A 260 3.918 7.871 -10.199 1.00 99.00 C +ATOM 2093 CG LEU A 260 4.611 6.615 -9.694 1.00 99.00 C +ATOM 2094 CD1 LEU A 260 4.352 5.468 -10.663 1.00 99.00 C +ATOM 2095 CD2 LEU A 260 6.101 6.836 -9.506 1.00 99.00 C +ATOM 2096 N SER A 261 4.271 10.955 -10.803 1.00 99.00 N +ATOM 2097 CA SER A 261 3.919 11.968 -11.788 1.00 99.00 C +ATOM 2098 C SER A 261 2.896 11.392 -12.771 1.00 99.00 C +ATOM 2099 O SER A 261 3.033 10.251 -13.210 1.00 99.00 O +ATOM 2100 CB SER A 261 5.178 12.390 -12.546 1.00 99.00 C +ATOM 2101 OG SER A 261 4.879 13.380 -13.506 1.00 99.00 O +ATOM 2102 N GLY A 262 1.892 12.181 -13.095 1.00 99.00 N +ATOM 2103 CA GLY A 262 0.901 11.796 -14.089 1.00 99.00 C +ATOM 2104 C GLY A 262 -0.181 10.839 -13.622 1.00 99.00 C +ATOM 2105 O GLY A 262 -0.941 10.341 -14.454 1.00 99.00 O +ATOM 2106 N ASP A 263 -0.271 10.562 -12.315 1.00 99.00 N +ATOM 2107 CA ASP A 263 -1.327 9.676 -11.819 1.00 99.00 C +ATOM 2108 C ASP A 263 -2.693 10.320 -12.028 1.00 99.00 C +ATOM 2109 O ASP A 263 -2.854 11.529 -11.842 1.00 99.00 O +ATOM 2110 CB ASP A 263 -1.137 9.328 -10.346 1.00 99.00 C +ATOM 2111 CG ASP A 263 -2.080 8.227 -9.907 1.00 99.00 C +ATOM 2112 OD1 ASP A 263 -1.756 7.037 -10.132 1.00 99.00 O +ATOM 2113 OD2 ASP A 263 -3.157 8.544 -9.362 1.00 99.00 O +ATOM 2114 N ARG A 264 -3.670 9.502 -12.415 1.00 98.91 N +ATOM 2115 CA ARG A 264 -5.036 9.953 -12.687 1.00 98.91 C +ATOM 2116 C ARG A 264 -5.669 10.647 -11.472 1.00 98.91 C +ATOM 2117 O ARG A 264 -6.416 11.614 -11.636 1.00 98.91 O +ATOM 2118 CB ARG A 264 -5.875 8.759 -13.136 1.00 98.91 C +ATOM 2119 CG ARG A 264 -7.320 9.077 -13.469 1.00 98.91 C +ATOM 2120 CD ARG A 264 -8.051 7.832 -13.942 1.00 98.91 C +ATOM 2121 NE ARG A 264 -9.493 8.040 -13.934 1.00 98.91 N +ATOM 2122 CZ ARG A 264 -10.405 7.103 -14.167 1.00 98.91 C +ATOM 2123 NH1 ARG A 264 -10.033 5.866 -14.462 1.00 98.91 N +ATOM 2124 NH2 ARG A 264 -11.691 7.407 -14.104 1.00 98.91 N +ATOM 2125 N LEU A 265 -5.394 10.161 -10.269 1.00 98.97 N +ATOM 2126 CA LEU A 265 -5.964 10.730 -9.045 1.00 98.97 C +ATOM 2127 C LEU A 265 -4.963 11.534 -8.221 1.00 98.97 C +ATOM 2128 O LEU A 265 -5.368 12.286 -7.334 1.00 98.97 O +ATOM 2129 CB LEU A 265 -6.565 9.637 -8.154 1.00 98.97 C +ATOM 2130 CG LEU A 265 -7.703 8.788 -8.712 1.00 98.97 C +ATOM 2131 CD1 LEU A 265 -8.309 7.946 -7.589 1.00 98.97 C +ATOM 2132 CD2 LEU A 265 -8.787 9.643 -9.360 1.00 98.97 C +ATOM 2133 N GLY A 266 -3.688 11.366 -8.473 1.00 98.99 N +ATOM 2134 CA GLY A 266 -2.641 11.987 -7.668 1.00 98.99 C +ATOM 2135 C GLY A 266 -2.170 13.321 -8.210 1.00 98.99 C +ATOM 2136 O GLY A 266 -2.472 13.689 -9.342 1.00 98.99 O +ATOM 2137 N CYS A 267 -1.431 14.046 -7.386 1.00 98.92 N +ATOM 2138 CA CYS A 267 -0.928 15.371 -7.734 1.00 98.92 C +ATOM 2139 C CYS A 267 0.519 15.557 -7.275 1.00 98.92 C +ATOM 2140 O CYS A 267 0.953 16.676 -7.011 1.00 98.92 O +ATOM 2141 CB CYS A 267 -1.848 16.450 -7.149 1.00 98.92 C +ATOM 2142 SG CYS A 267 -2.203 16.205 -5.393 1.00 98.92 S +ATOM 2143 N PHE A 268 1.258 14.445 -7.165 1.00 99.00 N +ATOM 2144 CA PHE A 268 2.696 14.475 -6.895 1.00 99.00 C +ATOM 2145 C PHE A 268 3.459 14.354 -8.210 1.00 99.00 C +ATOM 2146 O PHE A 268 2.865 14.117 -9.274 1.00 99.00 O +ATOM 2147 CB PHE A 268 3.089 13.335 -5.967 1.00 99.00 C +ATOM 2148 CG PHE A 268 2.840 13.563 -4.492 1.00 99.00 C +ATOM 2149 CD1 PHE A 268 3.253 12.603 -3.561 1.00 99.00 C +ATOM 2150 CD2 PHE A 268 2.213 14.702 -4.023 1.00 99.00 C +ATOM 2151 CE1 PHE A 268 3.043 12.787 -2.206 1.00 99.00 C +ATOM 2152 CE2 PHE A 268 1.987 14.903 -2.663 1.00 99.00 C +ATOM 2153 CZ PHE A 268 2.407 13.938 -1.760 1.00 99.00 C +ATOM 2154 N ASN A 269 4.768 14.516 -8.150 1.00 99.00 N +ATOM 2155 CA ASN A 269 5.601 14.529 -9.353 1.00 99.00 C +ATOM 2156 C ASN A 269 6.814 13.605 -9.234 1.00 99.00 C +ATOM 2157 O ASN A 269 7.899 13.925 -9.730 1.00 99.00 O +ATOM 2158 CB ASN A 269 6.024 15.967 -9.674 1.00 99.00 C +ATOM 2159 CG ASN A 269 6.399 16.187 -11.127 1.00 99.00 C +ATOM 2160 OD1 ASN A 269 6.069 15.378 -11.997 1.00 99.00 O +ATOM 2161 ND2 ASN A 269 7.088 17.288 -11.402 1.00 99.00 N +ATOM 2162 N LEU A 270 6.639 12.443 -8.579 1.00 99.00 N +ATOM 2163 CA LEU A 270 7.736 11.479 -8.469 1.00 99.00 C +ATOM 2164 C LEU A 270 7.897 10.690 -9.760 1.00 99.00 C +ATOM 2165 O LEU A 270 6.917 10.411 -10.453 1.00 99.00 O +ATOM 2166 CB LEU A 270 7.501 10.497 -7.314 1.00 99.00 C +ATOM 2167 CG LEU A 270 7.383 11.086 -5.912 1.00 99.00 C +ATOM 2168 CD1 LEU A 270 7.267 9.958 -4.890 1.00 99.00 C +ATOM 2169 CD2 LEU A 270 8.566 11.977 -5.578 1.00 99.00 C +ATOM 2170 N THR A 271 9.124 10.318 -10.056 1.00 99.00 N +ATOM 2171 CA THR A 271 9.391 9.351 -11.115 1.00 99.00 C +ATOM 2172 C THR A 271 9.437 7.954 -10.498 1.00 99.00 C +ATOM 2173 O THR A 271 9.407 7.793 -9.271 1.00 99.00 O +ATOM 2174 CB THR A 271 10.721 9.638 -11.828 1.00 99.00 C +ATOM 2175 OG1 THR A 271 11.799 9.374 -10.918 1.00 99.00 O +ATOM 2176 CG2 THR A 271 10.800 11.069 -12.340 1.00 99.00 C +ATOM 2177 N VAL A 272 9.539 6.918 -11.348 1.00 99.00 N +ATOM 2178 CA VAL A 272 9.690 5.544 -10.868 1.00 99.00 C +ATOM 2179 C VAL A 272 10.983 5.409 -10.053 1.00 99.00 C +ATOM 2180 O VAL A 272 10.989 4.748 -9.010 1.00 99.00 O +ATOM 2181 CB VAL A 272 9.622 4.536 -12.035 1.00 99.00 C +ATOM 2182 CG1 VAL A 272 10.084 3.143 -11.599 1.00 99.00 C +ATOM 2183 CG2 VAL A 272 8.195 4.467 -12.576 1.00 99.00 C +ATOM 2184 N LYS A 273 12.061 6.061 -10.503 1.00 99.00 N +ATOM 2185 CA LYS A 273 13.333 6.027 -9.774 1.00 99.00 C +ATOM 2186 C LYS A 273 13.218 6.691 -8.404 1.00 99.00 C +ATOM 2187 O LYS A 273 13.744 6.161 -7.419 1.00 99.00 O +ATOM 2188 CB LYS A 273 14.455 6.677 -10.588 1.00 99.00 C +ATOM 2189 CG LYS A 273 14.986 5.793 -11.697 1.00 99.00 C +ATOM 2190 CD LYS A 273 16.080 6.490 -12.486 1.00 99.00 C +ATOM 2191 CE LYS A 273 16.606 5.606 -13.595 1.00 99.00 C +ATOM 2192 NZ LYS A 273 17.538 6.348 -14.485 1.00 99.00 N +ATOM 2193 N GLY A 274 12.533 7.828 -8.336 1.00 99.00 N +ATOM 2194 CA GLY A 274 12.330 8.529 -7.069 1.00 99.00 C +ATOM 2195 C GLY A 274 11.501 7.712 -6.093 1.00 99.00 C +ATOM 2196 O GLY A 274 11.815 7.645 -4.899 1.00 99.00 O +ATOM 2197 N HIS A 275 10.455 7.083 -6.604 1.00 99.00 N +ATOM 2198 CA HIS A 275 9.579 6.218 -5.810 1.00 99.00 C +ATOM 2199 C HIS A 275 10.361 5.005 -5.290 1.00 99.00 C +ATOM 2200 O HIS A 275 10.311 4.681 -4.097 1.00 99.00 O +ATOM 2201 CB HIS A 275 8.388 5.789 -6.678 1.00 99.00 C +ATOM 2202 CG HIS A 275 7.218 5.235 -5.932 1.00 99.00 C +ATOM 2203 ND1 HIS A 275 7.101 3.915 -5.584 1.00 99.00 N +ATOM 2204 CD2 HIS A 275 6.083 5.851 -5.512 1.00 99.00 C +ATOM 2205 CE1 HIS A 275 5.941 3.739 -4.969 1.00 99.00 C +ATOM 2206 NE2 HIS A 275 5.299 4.903 -4.916 1.00 99.00 N +ATOM 2207 N ALA A 276 11.113 4.361 -6.182 1.00 99.00 N +ATOM 2208 CA ALA A 276 11.869 3.151 -5.839 1.00 99.00 C +ATOM 2209 C ALA A 276 13.044 3.426 -4.901 1.00 99.00 C +ATOM 2210 O ALA A 276 13.500 2.507 -4.214 1.00 99.00 O +ATOM 2211 CB ALA A 276 12.352 2.454 -7.106 1.00 99.00 C +ATOM 2212 N LYS A 277 13.524 4.674 -4.865 1.00 98.99 N +ATOM 2213 CA LYS A 277 14.562 5.050 -3.907 1.00 98.99 C +ATOM 2214 C LYS A 277 14.116 4.752 -2.472 1.00 98.99 C +ATOM 2215 O LYS A 277 14.945 4.402 -1.631 1.00 98.99 O +ATOM 2216 CB LYS A 277 14.938 6.523 -4.097 1.00 98.99 C +ATOM 2217 CG LYS A 277 16.077 7.031 -3.227 1.00 98.99 C +ATOM 2218 CD LYS A 277 17.425 6.424 -3.597 1.00 98.99 C +ATOM 2219 CE LYS A 277 18.585 7.275 -3.086 1.00 98.99 C +ATOM 2220 NZ LYS A 277 18.623 7.399 -1.615 1.00 98.99 N +ATOM 2221 N CYS A 278 12.803 4.865 -2.205 1.00 99.00 N +ATOM 2222 CA CYS A 278 12.267 4.522 -0.886 1.00 99.00 C +ATOM 2223 C CYS A 278 12.485 3.043 -0.569 1.00 99.00 C +ATOM 2224 O CYS A 278 12.843 2.697 0.563 1.00 99.00 O +ATOM 2225 CB CYS A 278 10.775 4.857 -0.810 1.00 99.00 C +ATOM 2226 SG CYS A 278 10.432 6.620 -1.000 1.00 99.00 S +ATOM 2227 N VAL A 279 12.259 2.180 -1.558 1.00 99.00 N +ATOM 2228 CA VAL A 279 12.495 0.741 -1.390 1.00 99.00 C +ATOM 2229 C VAL A 279 13.977 0.494 -1.102 1.00 99.00 C +ATOM 2230 O VAL A 279 14.312 -0.265 -0.189 1.00 99.00 O +ATOM 2231 CB VAL A 279 12.028 -0.059 -2.629 1.00 99.00 C +ATOM 2232 CG1 VAL A 279 12.347 -1.546 -2.463 1.00 99.00 C +ATOM 2233 CG2 VAL A 279 10.535 0.145 -2.874 1.00 99.00 C +ATOM 2234 N GLU A 280 14.863 1.152 -1.862 1.00 98.97 N +ATOM 2235 CA GLU A 280 16.315 1.040 -1.665 1.00 98.97 C +ATOM 2236 C GLU A 280 16.713 1.437 -0.245 1.00 98.97 C +ATOM 2237 O GLU A 280 17.505 0.743 0.392 1.00 98.97 O +ATOM 2238 CB GLU A 280 17.078 1.914 -2.663 1.00 98.97 C +ATOM 2239 CG GLU A 280 16.931 1.496 -4.117 1.00 98.97 C +ATOM 2240 CD GLU A 280 17.575 2.486 -5.083 1.00 98.97 C +ATOM 2241 OE1 GLU A 280 18.670 3.001 -4.769 1.00 98.97 O +ATOM 2242 OE2 GLU A 280 16.979 2.744 -6.149 1.00 98.97 O +ATOM 2243 N VAL A 281 16.159 2.554 0.237 1.00 99.00 N +ATOM 2244 CA VAL A 281 16.477 3.052 1.578 1.00 99.00 C +ATOM 2245 C VAL A 281 16.050 2.042 2.649 1.00 99.00 C +ATOM 2246 O VAL A 281 16.843 1.696 3.528 1.00 99.00 O +ATOM 2247 CB VAL A 281 15.835 4.440 1.822 1.00 99.00 C +ATOM 2248 CG1 VAL A 281 15.863 4.816 3.307 1.00 99.00 C +ATOM 2249 CG2 VAL A 281 16.546 5.505 0.995 1.00 99.00 C +ATOM 2250 N VAL A 282 14.812 1.561 2.576 1.00 99.00 N +ATOM 2251 CA VAL A 282 14.298 0.623 3.577 1.00 99.00 C +ATOM 2252 C VAL A 282 15.087 -0.687 3.540 1.00 99.00 C +ATOM 2253 O VAL A 282 15.430 -1.245 4.588 1.00 99.00 O +ATOM 2254 CB VAL A 282 12.783 0.381 3.385 1.00 99.00 C +ATOM 2255 CG1 VAL A 282 12.276 -0.701 4.331 1.00 99.00 C +ATOM 2256 CG2 VAL A 282 12.011 1.681 3.607 1.00 99.00 C +ATOM 2257 N LYS A 283 15.408 -1.140 2.339 1.00 98.83 N +ATOM 2258 CA LYS A 283 16.128 -2.400 2.135 1.00 98.83 C +ATOM 2259 C LYS A 283 17.515 -2.410 2.785 1.00 98.83 C +ATOM 2260 O LYS A 283 17.972 -3.459 3.254 1.00 98.83 O +ATOM 2261 CB LYS A 283 16.225 -2.668 0.632 1.00 98.83 C +ATOM 2262 CG LYS A 283 16.616 -4.068 0.264 1.00 98.83 C +ATOM 2263 CD LYS A 283 16.717 -4.203 -1.245 1.00 98.83 C +ATOM 2264 CE LYS A 283 17.429 -5.490 -1.601 1.00 98.83 C +ATOM 2265 NZ LYS A 283 18.159 -5.369 -2.881 1.00 98.83 N +ATOM 2266 N THR A 284 18.178 -1.245 2.842 1.00 98.63 N +ATOM 2267 CA THR A 284 19.536 -1.162 3.397 1.00 98.63 C +ATOM 2268 C THR A 284 19.599 -1.494 4.887 1.00 98.63 C +ATOM 2269 O THR A 284 20.679 -1.792 5.396 1.00 98.63 O +ATOM 2270 CB THR A 284 20.186 0.218 3.169 1.00 98.63 C +ATOM 2271 OG1 THR A 284 19.493 1.218 3.903 1.00 98.63 O +ATOM 2272 CG2 THR A 284 20.231 0.589 1.692 1.00 98.63 C +ATOM 2273 N PHE A 285 18.461 -1.440 5.576 1.00 98.99 N +ATOM 2274 CA PHE A 285 18.447 -1.746 7.009 1.00 98.99 C +ATOM 2275 C PHE A 285 18.453 -3.248 7.305 1.00 98.99 C +ATOM 2276 O PHE A 285 18.587 -3.635 8.465 1.00 98.99 O +ATOM 2277 CB PHE A 285 17.281 -1.036 7.695 1.00 98.99 C +ATOM 2278 CG PHE A 285 17.473 0.457 7.754 1.00 98.99 C +ATOM 2279 CD1 PHE A 285 18.288 1.023 8.723 1.00 98.99 C +ATOM 2280 CD2 PHE A 285 16.878 1.289 6.811 1.00 98.99 C +ATOM 2281 CE1 PHE A 285 18.496 2.397 8.759 1.00 98.99 C +ATOM 2282 CE2 PHE A 285 17.082 2.665 6.840 1.00 98.99 C +ATOM 2283 CZ PHE A 285 17.895 3.218 7.817 1.00 98.99 C +ATOM 2284 N ASN A 286 18.338 -4.086 6.282 1.00 98.95 N +ATOM 2285 CA ASN A 286 18.479 -5.541 6.396 1.00 98.95 C +ATOM 2286 C ASN A 286 17.539 -6.161 7.431 1.00 98.95 C +ATOM 2287 O ASN A 286 17.942 -7.033 8.206 1.00 98.95 O +ATOM 2288 CB ASN A 286 19.936 -5.929 6.684 1.00 98.95 C +ATOM 2289 CG ASN A 286 20.873 -5.525 5.570 1.00 98.95 C +ATOM 2290 OD1 ASN A 286 20.582 -5.733 4.395 1.00 98.95 O +ATOM 2291 ND2 ASN A 286 22.005 -4.937 5.934 1.00 98.95 N +ATOM 2292 N LEU A 287 16.292 -5.710 7.432 1.00 99.00 N +ATOM 2293 CA LEU A 287 15.256 -6.279 8.287 1.00 99.00 C +ATOM 2294 C LEU A 287 14.276 -7.076 7.432 1.00 99.00 C +ATOM 2295 O LEU A 287 14.101 -6.756 6.254 1.00 99.00 O +ATOM 2296 CB LEU A 287 14.503 -5.174 9.032 1.00 99.00 C +ATOM 2297 CG LEU A 287 15.294 -4.400 10.079 1.00 99.00 C +ATOM 2298 CD1 LEU A 287 14.492 -3.196 10.557 1.00 99.00 C +ATOM 2299 CD2 LEU A 287 15.679 -5.291 11.249 1.00 99.00 C +ATOM 2300 N PRO A 288 13.617 -8.091 8.013 1.00 99.00 N +ATOM 2301 CA PRO A 288 12.544 -8.764 7.274 1.00 99.00 C +ATOM 2302 C PRO A 288 11.551 -7.723 6.760 1.00 99.00 C +ATOM 2303 O PRO A 288 11.113 -6.857 7.521 1.00 99.00 O +ATOM 2304 CB PRO A 288 11.904 -9.681 8.318 1.00 99.00 C +ATOM 2305 CG PRO A 288 12.998 -9.917 9.321 1.00 99.00 C +ATOM 2306 CD PRO A 288 13.778 -8.630 9.371 1.00 99.00 C +ATOM 2307 N LEU A 289 11.229 -7.797 5.458 1.00 99.00 N +ATOM 2308 CA LEU A 289 10.480 -6.730 4.799 1.00 99.00 C +ATOM 2309 C LEU A 289 9.334 -7.291 3.966 1.00 99.00 C +ATOM 2310 O LEU A 289 9.557 -8.140 3.098 1.00 99.00 O +ATOM 2311 CB LEU A 289 11.424 -5.906 3.912 1.00 99.00 C +ATOM 2312 CG LEU A 289 10.816 -4.837 2.993 1.00 99.00 C +ATOM 2313 CD1 LEU A 289 10.063 -3.779 3.794 1.00 99.00 C +ATOM 2314 CD2 LEU A 289 11.914 -4.188 2.158 1.00 99.00 C +ATOM 2315 N LEU A 290 8.120 -6.788 4.223 1.00 99.00 N +ATOM 2316 CA LEU A 290 6.932 -7.102 3.433 1.00 99.00 C +ATOM 2317 C LEU A 290 6.611 -5.892 2.564 1.00 99.00 C +ATOM 2318 O LEU A 290 6.305 -4.819 3.091 1.00 99.00 O +ATOM 2319 CB LEU A 290 5.756 -7.453 4.354 1.00 99.00 C +ATOM 2320 CG LEU A 290 4.405 -7.756 3.697 1.00 99.00 C +ATOM 2321 CD1 LEU A 290 4.504 -8.938 2.739 1.00 99.00 C +ATOM 2322 CD2 LEU A 290 3.356 -8.022 4.770 1.00 99.00 C +ATOM 2323 N MET A 291 6.705 -6.068 1.238 1.00 99.00 N +ATOM 2324 CA MET A 291 6.415 -5.003 0.276 1.00 99.00 C +ATOM 2325 C MET A 291 5.026 -5.218 -0.323 1.00 99.00 C +ATOM 2326 O MET A 291 4.738 -6.297 -0.847 1.00 99.00 O +ATOM 2327 CB MET A 291 7.460 -4.977 -0.841 1.00 99.00 C +ATOM 2328 CG MET A 291 8.823 -4.509 -0.383 1.00 99.00 C +ATOM 2329 SD MET A 291 10.093 -4.775 -1.634 1.00 99.00 S +ATOM 2330 CE MET A 291 9.479 -3.819 -3.000 1.00 99.00 C +ATOM 2331 N LEU A 292 4.196 -4.179 -0.254 1.00 99.00 N +ATOM 2332 CA LEU A 292 2.807 -4.262 -0.692 1.00 99.00 C +ATOM 2333 C LEU A 292 2.496 -3.173 -1.711 1.00 99.00 C +ATOM 2334 O LEU A 292 3.195 -2.159 -1.788 1.00 99.00 O +ATOM 2335 CB LEU A 292 1.864 -4.132 0.516 1.00 99.00 C +ATOM 2336 CG LEU A 292 2.092 -5.127 1.662 1.00 99.00 C +ATOM 2337 CD1 LEU A 292 1.175 -4.798 2.833 1.00 99.00 C +ATOM 2338 CD2 LEU A 292 1.878 -6.556 1.192 1.00 99.00 C +ATOM 2339 N GLY A 293 1.423 -3.383 -2.488 1.00 99.00 N +ATOM 2340 CA GLY A 293 0.932 -2.392 -3.442 1.00 99.00 C +ATOM 2341 C GLY A 293 0.119 -1.318 -2.739 1.00 99.00 C +ATOM 2342 O GLY A 293 0.462 -0.898 -1.633 1.00 99.00 O +ATOM 2343 N GLY A 294 -0.953 -0.889 -3.385 1.00 98.99 N +ATOM 2344 CA GLY A 294 -1.776 0.203 -2.870 1.00 98.99 C +ATOM 2345 C GLY A 294 -2.431 0.916 -4.037 1.00 98.99 C +ATOM 2346 O GLY A 294 -2.812 0.269 -5.015 1.00 98.99 O +ATOM 2347 N GLY A 295 -2.556 2.243 -3.944 1.00 99.00 N +ATOM 2348 CA GLY A 295 -3.134 3.034 -5.024 1.00 99.00 C +ATOM 2349 C GLY A 295 -2.249 3.087 -6.257 1.00 99.00 C +ATOM 2350 O GLY A 295 -1.133 2.573 -6.261 1.00 99.00 O +ATOM 2351 N GLY A 296 -2.769 3.722 -7.292 1.00 99.00 N +ATOM 2352 CA GLY A 296 -2.095 3.837 -8.581 1.00 99.00 C +ATOM 2353 C GLY A 296 -3.129 3.731 -9.684 1.00 99.00 C +ATOM 2354 O GLY A 296 -3.743 2.673 -9.850 1.00 99.00 O +ATOM 2355 N TYR A 297 -3.322 4.812 -10.450 1.00 99.00 N +ATOM 2356 CA TYR A 297 -4.492 4.939 -11.322 1.00 99.00 C +ATOM 2357 C TYR A 297 -4.154 5.304 -12.767 1.00 99.00 C +ATOM 2358 O TYR A 297 -5.056 5.401 -13.593 1.00 99.00 O +ATOM 2359 CB TYR A 297 -5.497 5.906 -10.679 1.00 99.00 C +ATOM 2360 CG TYR A 297 -5.838 5.457 -9.279 1.00 99.00 C +ATOM 2361 CD1 TYR A 297 -5.263 6.077 -8.176 1.00 99.00 C +ATOM 2362 CD2 TYR A 297 -6.646 4.334 -9.067 1.00 99.00 C +ATOM 2363 CE1 TYR A 297 -5.494 5.611 -6.887 1.00 99.00 C +ATOM 2364 CE2 TYR A 297 -6.886 3.858 -7.786 1.00 99.00 C +ATOM 2365 CZ TYR A 297 -6.301 4.499 -6.699 1.00 99.00 C +ATOM 2366 OH TYR A 297 -6.517 4.025 -5.438 1.00 99.00 O +ATOM 2367 N THR A 298 -2.868 5.488 -13.083 1.00 99.00 N +ATOM 2368 CA THR A 298 -2.377 5.540 -14.455 1.00 99.00 C +ATOM 2369 C THR A 298 -1.638 4.217 -14.612 1.00 99.00 C +ATOM 2370 O THR A 298 -0.460 4.107 -14.278 1.00 99.00 O +ATOM 2371 CB THR A 298 -1.479 6.766 -14.698 1.00 99.00 C +ATOM 2372 OG1 THR A 298 -2.260 7.940 -14.475 1.00 99.00 O +ATOM 2373 CG2 THR A 298 -0.917 6.779 -16.111 1.00 99.00 C +ATOM 2374 N ILE A 299 -2.363 3.202 -15.079 1.00 99.00 N +ATOM 2375 CA ILE A 299 -1.935 1.812 -14.864 1.00 99.00 C +ATOM 2376 C ILE A 299 -0.634 1.438 -15.581 1.00 99.00 C +ATOM 2377 O ILE A 299 0.082 0.557 -15.094 1.00 99.00 O +ATOM 2378 CB ILE A 299 -3.071 0.787 -15.118 1.00 99.00 C +ATOM 2379 CG1 ILE A 299 -3.523 0.751 -16.579 1.00 99.00 C +ATOM 2380 CG2 ILE A 299 -4.246 1.090 -14.165 1.00 99.00 C +ATOM 2381 CD1 ILE A 299 -4.600 -0.300 -16.846 1.00 99.00 C +ATOM 2382 N ARG A 300 -0.286 2.113 -16.690 1.00 98.99 N +ATOM 2383 CA ARG A 300 0.999 1.841 -17.343 1.00 98.99 C +ATOM 2384 C ARG A 300 2.163 2.199 -16.421 1.00 98.99 C +ATOM 2385 O ARG A 300 3.168 1.493 -16.396 1.00 98.99 O +ATOM 2386 CB ARG A 300 1.102 2.560 -18.692 1.00 98.99 C +ATOM 2387 CG ARG A 300 1.112 4.077 -18.599 1.00 98.99 C +ATOM 2388 CD ARG A 300 1.047 4.721 -19.989 1.00 98.99 C +ATOM 2389 NE ARG A 300 1.098 6.185 -19.913 1.00 98.99 N +ATOM 2390 CZ ARG A 300 0.051 6.974 -19.695 1.00 98.99 C +ATOM 2391 NH1 ARG A 300 -1.162 6.463 -19.519 1.00 98.99 N +ATOM 2392 NH2 ARG A 300 0.215 8.282 -19.649 1.00 98.99 N +ATOM 2393 N ASN A 301 1.994 3.274 -15.633 1.00 99.00 N +ATOM 2394 CA ASN A 301 3.048 3.688 -14.705 1.00 99.00 C +ATOM 2395 C ASN A 301 3.066 2.835 -13.441 1.00 99.00 C +ATOM 2396 O ASN A 301 4.139 2.623 -12.864 1.00 99.00 O +ATOM 2397 CB ASN A 301 2.923 5.178 -14.375 1.00 99.00 C +ATOM 2398 CG ASN A 301 3.171 6.058 -15.584 1.00 99.00 C +ATOM 2399 OD1 ASN A 301 3.822 5.642 -16.542 1.00 99.00 O +ATOM 2400 ND2 ASN A 301 2.646 7.274 -15.543 1.00 99.00 N +ATOM 2401 N VAL A 302 1.897 2.331 -13.021 1.00 99.00 N +ATOM 2402 CA VAL A 302 1.840 1.388 -11.896 1.00 99.00 C +ATOM 2403 C VAL A 302 2.657 0.135 -12.234 1.00 99.00 C +ATOM 2404 O VAL A 302 3.475 -0.318 -11.426 1.00 99.00 O +ATOM 2405 CB VAL A 302 0.382 1.015 -11.538 1.00 99.00 C +ATOM 2406 CG1 VAL A 302 0.348 -0.035 -10.425 1.00 99.00 C +ATOM 2407 CG2 VAL A 302 -0.408 2.247 -11.126 1.00 99.00 C +ATOM 2408 N ALA A 303 2.440 -0.412 -13.433 1.00 99.00 N +ATOM 2409 CA ALA A 303 3.161 -1.608 -13.873 1.00 99.00 C +ATOM 2410 C ALA A 303 4.669 -1.355 -13.940 1.00 99.00 C +ATOM 2411 O ALA A 303 5.463 -2.202 -13.516 1.00 99.00 O +ATOM 2412 CB ALA A 303 2.628 -2.080 -15.222 1.00 99.00 C +ATOM 2413 N ARG A 304 5.064 -0.183 -14.457 1.00 99.00 N +ATOM 2414 CA ARG A 304 6.475 0.207 -14.501 1.00 99.00 C +ATOM 2415 C ARG A 304 7.071 0.278 -13.096 1.00 99.00 C +ATOM 2416 O ARG A 304 8.148 -0.259 -12.836 1.00 99.00 O +ATOM 2417 CB ARG A 304 6.641 1.572 -15.174 1.00 99.00 C +ATOM 2418 CG ARG A 304 6.422 1.565 -16.678 1.00 99.00 C +ATOM 2419 CD ARG A 304 6.299 2.999 -17.174 1.00 99.00 C +ATOM 2420 NE ARG A 304 6.524 3.069 -18.613 1.00 99.00 N +ATOM 2421 CZ ARG A 304 5.794 3.764 -19.464 1.00 99.00 C +ATOM 2422 NH1 ARG A 304 4.728 4.445 -19.052 1.00 99.00 N +ATOM 2423 NH2 ARG A 304 6.123 3.778 -20.749 1.00 99.00 N +ATOM 2424 N CYS A 305 6.348 0.963 -12.210 1.00 99.00 N +ATOM 2425 CA CYS A 305 6.828 1.213 -10.849 1.00 99.00 C +ATOM 2426 C CYS A 305 7.067 -0.089 -10.089 1.00 99.00 C +ATOM 2427 O CYS A 305 8.152 -0.310 -9.544 1.00 99.00 O +ATOM 2428 CB CYS A 305 5.816 2.089 -10.108 1.00 99.00 C +ATOM 2429 SG CYS A 305 6.424 2.731 -8.539 1.00 99.00 S +ATOM 2430 N TRP A 306 6.061 -0.958 -10.061 1.00 99.00 N +ATOM 2431 CA TRP A 306 6.158 -2.179 -9.261 1.00 99.00 C +ATOM 2432 C TRP A 306 7.087 -3.216 -9.902 1.00 99.00 C +ATOM 2433 O TRP A 306 7.713 -4.008 -9.189 1.00 99.00 O +ATOM 2434 CB TRP A 306 4.765 -2.727 -8.962 1.00 99.00 C +ATOM 2435 CG TRP A 306 3.970 -1.822 -8.049 1.00 99.00 C +ATOM 2436 CD1 TRP A 306 4.459 -0.825 -7.250 1.00 99.00 C +ATOM 2437 CD2 TRP A 306 2.558 -1.828 -7.844 1.00 99.00 C +ATOM 2438 NE1 TRP A 306 3.433 -0.218 -6.571 1.00 99.00 N +ATOM 2439 CE2 TRP A 306 2.260 -0.806 -6.907 1.00 99.00 C +ATOM 2440 CE3 TRP A 306 1.505 -2.601 -8.358 1.00 99.00 C +ATOM 2441 CZ2 TRP A 306 0.953 -0.548 -6.485 1.00 99.00 C +ATOM 2442 CZ3 TRP A 306 0.208 -2.350 -7.934 1.00 99.00 C +ATOM 2443 CH2 TRP A 306 -0.065 -1.324 -7.007 1.00 99.00 C +ATOM 2444 N THR A 307 7.221 -3.179 -11.234 1.00 99.00 N +ATOM 2445 CA THR A 307 8.223 -4.002 -11.917 1.00 99.00 C +ATOM 2446 C THR A 307 9.627 -3.575 -11.490 1.00 99.00 C +ATOM 2447 O THR A 307 10.456 -4.415 -11.115 1.00 99.00 O +ATOM 2448 CB THR A 307 8.077 -3.901 -13.445 1.00 99.00 C +ATOM 2449 OG1 THR A 307 6.869 -4.571 -13.820 1.00 99.00 O +ATOM 2450 CG2 THR A 307 9.257 -4.525 -14.177 1.00 99.00 C +ATOM 2451 N TYR A 308 9.878 -2.273 -11.541 1.00 99.00 N +ATOM 2452 CA TYR A 308 11.194 -1.765 -11.158 1.00 99.00 C +ATOM 2453 C TYR A 308 11.480 -2.026 -9.678 1.00 99.00 C +ATOM 2454 O TYR A 308 12.605 -2.390 -9.317 1.00 99.00 O +ATOM 2455 CB TYR A 308 11.327 -0.272 -11.488 1.00 99.00 C +ATOM 2456 CG TYR A 308 12.731 0.244 -11.276 1.00 99.00 C +ATOM 2457 CD1 TYR A 308 13.801 -0.294 -11.973 1.00 99.00 C +ATOM 2458 CD2 TYR A 308 12.987 1.261 -10.361 1.00 99.00 C +ATOM 2459 CE1 TYR A 308 15.098 0.164 -11.769 1.00 99.00 C +ATOM 2460 CE2 TYR A 308 14.279 1.727 -10.150 1.00 99.00 C +ATOM 2461 CZ TYR A 308 15.327 1.176 -10.856 1.00 99.00 C +ATOM 2462 OH TYR A 308 16.607 1.631 -10.652 1.00 99.00 O +ATOM 2463 N GLU A 309 10.472 -1.877 -8.822 1.00 99.00 N +ATOM 2464 CA GLU A 309 10.663 -2.089 -7.383 1.00 99.00 C +ATOM 2465 C GLU A 309 10.870 -3.565 -7.050 1.00 99.00 C +ATOM 2466 O GLU A 309 11.576 -3.878 -6.082 1.00 99.00 O +ATOM 2467 CB GLU A 309 9.521 -1.437 -6.601 1.00 99.00 C +ATOM 2468 CG GLU A 309 9.690 0.084 -6.641 1.00 99.00 C +ATOM 2469 CD GLU A 309 8.547 0.909 -6.113 1.00 99.00 C +ATOM 2470 OE1 GLU A 309 7.424 0.385 -5.936 1.00 99.00 O +ATOM 2471 OE2 GLU A 309 8.774 2.117 -5.877 1.00 99.00 O +ATOM 2472 N THR A 310 10.302 -4.466 -7.850 1.00 99.00 N +ATOM 2473 CA THR A 310 10.618 -5.889 -7.731 1.00 99.00 C +ATOM 2474 C THR A 310 12.092 -6.115 -8.078 1.00 99.00 C +ATOM 2475 O THR A 310 12.797 -6.837 -7.365 1.00 99.00 O +ATOM 2476 CB THR A 310 9.696 -6.739 -8.617 1.00 99.00 C +ATOM 2477 OG1 THR A 310 8.327 -6.454 -8.292 1.00 99.00 O +ATOM 2478 CG2 THR A 310 9.947 -8.232 -8.410 1.00 99.00 C +ATOM 2479 N ALA A 311 12.563 -5.474 -9.154 1.00 99.00 N +ATOM 2480 CA ALA A 311 13.973 -5.560 -9.547 1.00 99.00 C +ATOM 2481 C ALA A 311 14.891 -4.995 -8.459 1.00 99.00 C +ATOM 2482 O ALA A 311 15.952 -5.567 -8.190 1.00 99.00 O +ATOM 2483 CB ALA A 311 14.198 -4.841 -10.874 1.00 99.00 C +ATOM 2484 N VAL A 312 14.482 -3.891 -7.837 1.00 99.00 N +ATOM 2485 CA VAL A 312 15.241 -3.299 -6.730 1.00 99.00 C +ATOM 2486 C VAL A 312 15.332 -4.286 -5.561 1.00 99.00 C +ATOM 2487 O VAL A 312 16.410 -4.462 -4.983 1.00 99.00 O +ATOM 2488 CB VAL A 312 14.631 -1.947 -6.291 1.00 99.00 C +ATOM 2489 CG1 VAL A 312 15.220 -1.470 -4.960 1.00 99.00 C +ATOM 2490 CG2 VAL A 312 14.848 -0.886 -7.368 1.00 99.00 C +ATOM 2491 N ALA A 313 14.224 -4.939 -5.226 1.00 99.00 N +ATOM 2492 CA ALA A 313 14.209 -5.954 -4.168 1.00 99.00 C +ATOM 2493 C ALA A 313 15.196 -7.081 -4.474 1.00 99.00 C +ATOM 2494 O ALA A 313 15.846 -7.601 -3.562 1.00 99.00 O +ATOM 2495 CB ALA A 313 12.801 -6.510 -3.986 1.00 99.00 C +ATOM 2496 N LEU A 314 15.325 -7.423 -5.751 1.00 99.00 N +ATOM 2497 CA LEU A 314 16.201 -8.501 -6.216 1.00 99.00 C +ATOM 2498 C LEU A 314 17.645 -8.057 -6.458 1.00 99.00 C +ATOM 2499 O LEU A 314 18.487 -8.900 -6.776 1.00 99.00 O +ATOM 2500 CB LEU A 314 15.633 -9.090 -7.512 1.00 99.00 C +ATOM 2501 CG LEU A 314 14.327 -9.864 -7.369 1.00 99.00 C +ATOM 2502 CD1 LEU A 314 13.676 -10.058 -8.735 1.00 99.00 C +ATOM 2503 CD2 LEU A 314 14.571 -11.201 -6.690 1.00 99.00 C +ATOM 2504 N ASP A 315 17.939 -6.765 -6.334 1.00 98.97 N +ATOM 2505 CA ASP A 315 19.240 -6.192 -6.709 1.00 98.97 C +ATOM 2506 C ASP A 315 19.598 -6.531 -8.157 1.00 98.97 C +ATOM 2507 O ASP A 315 20.759 -6.813 -8.469 1.00 98.97 O +ATOM 2508 CB ASP A 315 20.353 -6.639 -5.755 1.00 98.97 C +ATOM 2509 CG ASP A 315 20.230 -5.997 -4.393 1.00 98.97 C +ATOM 2510 OD1 ASP A 315 20.127 -6.740 -3.396 1.00 98.97 O +ATOM 2511 OD2 ASP A 315 20.249 -4.744 -4.308 1.00 98.97 O +ATOM 2512 N CYS A 316 18.593 -6.503 -9.015 1.00 98.85 N +ATOM 2513 CA CYS A 316 18.748 -6.868 -10.411 1.00 98.85 C +ATOM 2514 C CYS A 316 18.572 -5.634 -11.292 1.00 98.85 C +ATOM 2515 O CYS A 316 17.504 -5.019 -11.283 1.00 98.85 O +ATOM 2516 CB CYS A 316 17.731 -7.950 -10.784 1.00 98.85 C +ATOM 2517 SG CYS A 316 17.862 -8.502 -12.495 1.00 98.85 S +ATOM 2518 N GLU A 317 19.616 -5.274 -12.037 1.00 98.97 N +ATOM 2519 CA GLU A 317 19.517 -4.187 -13.010 1.00 98.97 C +ATOM 2520 C GLU A 317 18.724 -4.666 -14.219 1.00 98.97 C +ATOM 2521 O GLU A 317 18.979 -5.757 -14.730 1.00 98.97 O +ATOM 2522 CB GLU A 317 20.901 -3.705 -13.436 1.00 98.97 C +ATOM 2523 CG GLU A 317 21.655 -2.986 -12.327 1.00 98.97 C +ATOM 2524 CD GLU A 317 23.055 -2.546 -12.727 1.00 98.97 C +ATOM 2525 OE1 GLU A 317 23.291 -2.309 -13.930 1.00 98.97 O +ATOM 2526 OE2 GLU A 317 23.911 -2.435 -11.828 1.00 98.97 O +ATOM 2527 N ILE A 318 17.752 -3.868 -14.660 1.00 99.00 N +ATOM 2528 CA ILE A 318 16.964 -4.174 -15.848 1.00 99.00 C +ATOM 2529 C ILE A 318 17.042 -2.994 -16.819 1.00 99.00 C +ATOM 2530 O ILE A 318 17.160 -1.842 -16.381 1.00 99.00 O +ATOM 2531 CB ILE A 318 15.499 -4.547 -15.509 1.00 99.00 C +ATOM 2532 CG1 ILE A 318 14.820 -3.482 -14.630 1.00 99.00 C +ATOM 2533 CG2 ILE A 318 15.448 -5.918 -14.849 1.00 99.00 C +ATOM 2534 CD1 ILE A 318 13.323 -3.717 -14.429 1.00 99.00 C +ATOM 2535 N PRO A 319 17.006 -3.256 -18.130 1.00 98.98 N +ATOM 2536 CA PRO A 319 17.156 -2.166 -19.093 1.00 98.98 C +ATOM 2537 C PRO A 319 15.928 -1.264 -19.162 1.00 98.98 C +ATOM 2538 O PRO A 319 14.809 -1.689 -18.874 1.00 98.98 O +ATOM 2539 CB PRO A 319 17.378 -2.894 -20.422 1.00 98.98 C +ATOM 2540 CG PRO A 319 16.717 -4.218 -20.233 1.00 98.98 C +ATOM 2541 CD PRO A 319 16.910 -4.571 -18.780 1.00 98.98 C +ATOM 2542 N ASN A 320 16.172 -0.017 -19.574 1.00 99.00 N +ATOM 2543 CA ASN A 320 15.095 0.958 -19.733 1.00 99.00 C +ATOM 2544 C ASN A 320 14.169 0.610 -20.901 1.00 99.00 C +ATOM 2545 O ASN A 320 12.974 0.899 -20.849 1.00 99.00 O +ATOM 2546 CB ASN A 320 15.690 2.355 -19.918 1.00 99.00 C +ATOM 2547 CG ASN A 320 14.668 3.456 -19.749 1.00 99.00 C +ATOM 2548 OD1 ASN A 320 13.749 3.354 -18.944 1.00 99.00 O +ATOM 2549 ND2 ASN A 320 14.827 4.525 -20.517 1.00 99.00 N +ATOM 2550 N GLU A 321 14.720 -0.008 -21.947 1.00 98.98 N +ATOM 2551 CA GLU A 321 13.927 -0.485 -23.082 1.00 98.98 C +ATOM 2552 C GLU A 321 13.003 -1.607 -22.607 1.00 98.98 C +ATOM 2553 O GLU A 321 13.484 -2.639 -22.139 1.00 98.98 O +ATOM 2554 CB GLU A 321 14.865 -0.991 -24.184 1.00 98.98 C +ATOM 2555 CG GLU A 321 14.162 -1.511 -25.439 1.00 98.98 C +ATOM 2556 CD GLU A 321 13.668 -0.415 -26.373 1.00 98.98 C +ATOM 2557 OE1 GLU A 321 13.942 0.775 -26.104 1.00 98.98 O +ATOM 2558 OE2 GLU A 321 13.024 -0.763 -27.390 1.00 98.98 O +ATOM 2559 N LEU A 322 11.691 -1.396 -22.723 1.00 99.00 N +ATOM 2560 CA LEU A 322 10.740 -2.413 -22.275 1.00 99.00 C +ATOM 2561 C LEU A 322 10.807 -3.646 -23.169 1.00 99.00 C +ATOM 2562 O LEU A 322 10.849 -3.512 -24.396 1.00 99.00 O +ATOM 2563 CB LEU A 322 9.308 -1.864 -22.277 1.00 99.00 C +ATOM 2564 CG LEU A 322 8.970 -0.864 -21.176 1.00 99.00 C +ATOM 2565 CD1 LEU A 322 7.570 -0.306 -21.389 1.00 99.00 C +ATOM 2566 CD2 LEU A 322 9.073 -1.503 -19.794 1.00 99.00 C +ATOM 2567 N PRO A 323 10.805 -4.838 -22.565 1.00 99.00 N +ATOM 2568 CA PRO A 323 10.690 -6.041 -23.384 1.00 99.00 C +ATOM 2569 C PRO A 323 9.277 -6.142 -23.943 1.00 99.00 C +ATOM 2570 O PRO A 323 8.340 -5.562 -23.374 1.00 99.00 O +ATOM 2571 CB PRO A 323 10.956 -7.175 -22.385 1.00 99.00 C +ATOM 2572 CG PRO A 323 10.456 -6.627 -21.079 1.00 99.00 C +ATOM 2573 CD PRO A 323 10.785 -5.149 -21.117 1.00 99.00 C +ATOM 2574 N TYR A 324 9.100 -6.896 -25.041 1.00 99.00 N +ATOM 2575 CA TYR A 324 7.761 -7.154 -25.541 1.00 99.00 C +ATOM 2576 C TYR A 324 6.965 -7.887 -24.462 1.00 99.00 C +ATOM 2577 O TYR A 324 7.507 -8.718 -23.728 1.00 99.00 O +ATOM 2578 CB TYR A 324 7.778 -7.965 -26.839 1.00 99.00 C +ATOM 2579 CG TYR A 324 6.390 -8.132 -27.412 1.00 99.00 C +ATOM 2580 CD1 TYR A 324 5.707 -9.338 -27.309 1.00 99.00 C +ATOM 2581 CD2 TYR A 324 5.740 -7.058 -28.019 1.00 99.00 C +ATOM 2582 CE1 TYR A 324 4.416 -9.483 -27.806 1.00 99.00 C +ATOM 2583 CE2 TYR A 324 4.449 -7.191 -28.522 1.00 99.00 C +ATOM 2584 CZ TYR A 324 3.794 -8.407 -28.411 1.00 99.00 C +ATOM 2585 OH TYR A 324 2.519 -8.547 -28.902 1.00 99.00 O +ATOM 2586 N ASN A 325 5.672 -7.551 -24.351 1.00 99.00 N +ATOM 2587 CA ASN A 325 4.804 -8.165 -23.349 1.00 99.00 C +ATOM 2588 C ASN A 325 3.359 -8.095 -23.832 1.00 99.00 C +ATOM 2589 O ASN A 325 3.070 -7.421 -24.818 1.00 99.00 O +ATOM 2590 CB ASN A 325 4.970 -7.490 -21.975 1.00 99.00 C +ATOM 2591 CG ASN A 325 4.566 -6.034 -21.990 1.00 99.00 C +ATOM 2592 OD1 ASN A 325 3.387 -5.709 -21.808 1.00 99.00 O +ATOM 2593 ND2 ASN A 325 5.525 -5.144 -22.209 1.00 99.00 N +ATOM 2594 N ASP A 326 2.458 -8.777 -23.132 1.00 99.00 N +ATOM 2595 CA ASP A 326 1.046 -8.846 -23.525 1.00 99.00 C +ATOM 2596 C ASP A 326 0.343 -7.487 -23.542 1.00 99.00 C +ATOM 2597 O ASP A 326 -0.731 -7.366 -24.130 1.00 99.00 O +ATOM 2598 CB ASP A 326 0.277 -9.794 -22.595 1.00 99.00 C +ATOM 2599 CG ASP A 326 0.618 -11.258 -22.796 1.00 99.00 C +ATOM 2600 OD1 ASP A 326 1.283 -11.603 -23.793 1.00 99.00 O +ATOM 2601 OD2 ASP A 326 0.212 -12.073 -21.933 1.00 99.00 O +ATOM 2602 N TYR A 327 0.928 -6.497 -22.900 1.00 99.00 N +ATOM 2603 CA TYR A 327 0.329 -5.169 -22.756 1.00 99.00 C +ATOM 2604 C TYR A 327 1.246 -4.082 -23.308 1.00 99.00 C +ATOM 2605 O TYR A 327 1.170 -2.928 -22.888 1.00 99.00 O +ATOM 2606 CB TYR A 327 -0.043 -4.924 -21.282 1.00 99.00 C +ATOM 2607 CG TYR A 327 -0.847 -6.073 -20.724 1.00 99.00 C +ATOM 2608 CD1 TYR A 327 -0.275 -6.988 -19.855 1.00 99.00 C +ATOM 2609 CD2 TYR A 327 -2.161 -6.279 -21.133 1.00 99.00 C +ATOM 2610 CE1 TYR A 327 -0.994 -8.082 -19.384 1.00 99.00 C +ATOM 2611 CE2 TYR A 327 -2.891 -7.367 -20.669 1.00 99.00 C +ATOM 2612 CZ TYR A 327 -2.299 -8.263 -19.798 1.00 99.00 C +ATOM 2613 OH TYR A 327 -3.007 -9.347 -19.341 1.00 99.00 O +ATOM 2614 N PHE A 328 2.068 -4.447 -24.285 1.00 99.00 N +ATOM 2615 CA PHE A 328 3.098 -3.564 -24.835 1.00 99.00 C +ATOM 2616 C PHE A 328 2.542 -2.213 -25.285 1.00 99.00 C +ATOM 2617 O PHE A 328 3.159 -1.171 -25.032 1.00 99.00 O +ATOM 2618 CB PHE A 328 3.796 -4.258 -26.004 1.00 99.00 C +ATOM 2619 CG PHE A 328 5.113 -3.650 -26.401 1.00 99.00 C +ATOM 2620 CD1 PHE A 328 5.273 -3.041 -27.642 1.00 99.00 C +ATOM 2621 CD2 PHE A 328 6.206 -3.702 -25.541 1.00 99.00 C +ATOM 2622 CE1 PHE A 328 6.498 -2.499 -28.019 1.00 99.00 C +ATOM 2623 CE2 PHE A 328 7.439 -3.158 -25.916 1.00 99.00 C +ATOM 2624 CZ PHE A 328 7.582 -2.562 -27.154 1.00 99.00 C +ATOM 2625 N GLU A 329 1.362 -2.224 -25.924 1.00 98.99 N +ATOM 2626 CA GLU A 329 0.753 -0.998 -26.454 1.00 98.99 C +ATOM 2627 C GLU A 329 0.403 0.027 -25.366 1.00 98.99 C +ATOM 2628 O GLU A 329 0.345 1.221 -25.656 1.00 98.99 O +ATOM 2629 CB GLU A 329 -0.492 -1.338 -27.314 1.00 98.99 C +ATOM 2630 CG GLU A 329 -1.750 -1.766 -26.558 1.00 98.99 C +ATOM 2631 CD GLU A 329 -1.818 -3.228 -26.097 1.00 98.99 C +ATOM 2632 OE1 GLU A 329 -2.887 -3.649 -25.641 1.00 98.99 O +ATOM 2633 OE2 GLU A 329 -0.779 -3.945 -26.195 1.00 98.99 O +ATOM 2634 N TYR A 330 0.193 -0.463 -24.122 1.00 98.99 N +ATOM 2635 CA TYR A 330 -0.113 0.433 -23.001 1.00 98.99 C +ATOM 2636 C TYR A 330 1.047 1.374 -22.692 1.00 98.99 C +ATOM 2637 O TYR A 330 0.835 2.434 -22.099 1.00 98.99 O +ATOM 2638 CB TYR A 330 -0.419 -0.357 -21.723 1.00 98.99 C +ATOM 2639 CG TYR A 330 -1.748 -1.070 -21.656 1.00 98.99 C +ATOM 2640 CD1 TYR A 330 -2.080 -2.065 -22.568 1.00 98.99 C +ATOM 2641 CD2 TYR A 330 -2.654 -0.771 -20.645 1.00 98.99 C +ATOM 2642 CE1 TYR A 330 -3.292 -2.738 -22.476 1.00 98.99 C +ATOM 2643 CE2 TYR A 330 -3.865 -1.440 -20.546 1.00 98.99 C +ATOM 2644 CZ TYR A 330 -4.181 -2.425 -21.461 1.00 98.99 C +ATOM 2645 OH TYR A 330 -5.374 -3.093 -21.358 1.00 98.99 O +ATOM 2646 N PHE A 331 2.257 0.984 -23.068 1.00 99.00 N +ATOM 2647 CA PHE A 331 3.469 1.702 -22.674 1.00 99.00 C +ATOM 2648 C PHE A 331 3.972 2.695 -23.722 1.00 99.00 C +ATOM 2649 O PHE A 331 5.053 3.263 -23.562 1.00 99.00 O +ATOM 2650 CB PHE A 331 4.559 0.703 -22.270 1.00 99.00 C +ATOM 2651 CG PHE A 331 4.147 -0.209 -21.139 1.00 99.00 C +ATOM 2652 CD1 PHE A 331 3.723 -1.508 -21.392 1.00 99.00 C +ATOM 2653 CD2 PHE A 331 4.136 0.247 -19.824 1.00 99.00 C +ATOM 2654 CE1 PHE A 331 3.318 -2.344 -20.355 1.00 99.00 C +ATOM 2655 CE2 PHE A 331 3.736 -0.580 -18.779 1.00 99.00 C +ATOM 2656 CZ PHE A 331 3.325 -1.874 -19.050 1.00 99.00 C +ATOM 2657 N GLY A 332 3.171 2.906 -24.782 1.00 98.98 N +ATOM 2658 CA GLY A 332 3.502 3.910 -25.790 1.00 98.98 C +ATOM 2659 C GLY A 332 3.333 5.316 -25.246 1.00 98.98 C +ATOM 2660 O GLY A 332 2.729 5.502 -24.181 1.00 98.98 O +ATOM 2661 N PRO A 333 3.878 6.328 -25.926 1.00 98.87 N +ATOM 2662 CA PRO A 333 4.577 6.233 -27.215 1.00 98.87 C +ATOM 2663 C PRO A 333 6.059 5.870 -27.106 1.00 98.87 C +ATOM 2664 O PRO A 333 6.695 5.629 -28.132 1.00 98.87 O +ATOM 2665 CB PRO A 333 4.414 7.650 -27.784 1.00 98.87 C +ATOM 2666 CG PRO A 333 4.410 8.531 -26.566 1.00 98.87 C +ATOM 2667 CD PRO A 333 3.682 7.736 -25.500 1.00 98.87 C +ATOM 2668 N ASP A 334 6.604 5.802 -25.894 1.00 98.96 N +ATOM 2669 CA ASP A 334 8.042 5.641 -25.675 1.00 98.96 C +ATOM 2670 C ASP A 334 8.503 4.196 -25.506 1.00 98.96 C +ATOM 2671 O ASP A 334 9.633 3.872 -25.886 1.00 98.96 O +ATOM 2672 CB ASP A 334 8.459 6.431 -24.427 1.00 98.96 C +ATOM 2673 CG ASP A 334 7.628 6.074 -23.207 1.00 98.96 C +ATOM 2674 OD1 ASP A 334 6.429 6.435 -23.199 1.00 98.96 O +ATOM 2675 OD2 ASP A 334 8.156 5.416 -22.293 1.00 98.96 O +ATOM 2676 N PHE A 335 7.648 3.339 -24.900 1.00 99.00 N +ATOM 2677 CA PHE A 335 7.977 1.935 -24.618 1.00 99.00 C +ATOM 2678 C PHE A 335 9.230 1.797 -23.751 1.00 99.00 C +ATOM 2679 O PHE A 335 10.027 0.878 -23.931 1.00 99.00 O +ATOM 2680 CB PHE A 335 8.077 1.127 -25.920 1.00 99.00 C +ATOM 2681 CG PHE A 335 6.859 1.279 -26.801 1.00 99.00 C +ATOM 2682 CD1 PHE A 335 6.899 2.103 -27.915 1.00 99.00 C +ATOM 2683 CD2 PHE A 335 5.665 0.644 -26.484 1.00 99.00 C +ATOM 2684 CE1 PHE A 335 5.771 2.272 -28.715 1.00 99.00 C +ATOM 2685 CE2 PHE A 335 4.532 0.805 -27.278 1.00 99.00 C +ATOM 2686 CZ PHE A 335 4.590 1.622 -28.391 1.00 99.00 C +ATOM 2687 N LYS A 336 9.377 2.716 -22.794 1.00 98.99 N +ATOM 2688 CA LYS A 336 10.483 2.731 -21.838 1.00 98.99 C +ATOM 2689 C LYS A 336 9.974 2.443 -20.433 1.00 98.99 C +ATOM 2690 O LYS A 336 8.794 2.672 -20.130 1.00 98.99 O +ATOM 2691 CB LYS A 336 11.205 4.084 -21.846 1.00 98.99 C +ATOM 2692 CG LYS A 336 11.823 4.498 -23.176 1.00 98.99 C +ATOM 2693 CD LYS A 336 12.899 3.516 -23.625 1.00 98.99 C +ATOM 2694 CE LYS A 336 13.832 4.079 -24.687 1.00 98.99 C +ATOM 2695 NZ LYS A 336 13.138 4.772 -25.792 1.00 98.99 N +ATOM 2696 N LEU A 337 10.862 1.933 -19.589 1.00 99.00 N +ATOM 2697 CA LEU A 337 10.509 1.632 -18.202 1.00 99.00 C +ATOM 2698 C LEU A 337 10.357 2.904 -17.370 1.00 99.00 C +ATOM 2699 O LEU A 337 9.380 3.051 -16.627 1.00 99.00 O +ATOM 2700 CB LEU A 337 11.572 0.724 -17.565 1.00 99.00 C +ATOM 2701 CG LEU A 337 11.350 0.355 -16.094 1.00 99.00 C +ATOM 2702 CD1 LEU A 337 10.067 -0.446 -15.905 1.00 99.00 C +ATOM 2703 CD2 LEU A 337 12.546 -0.422 -15.562 1.00 99.00 C +ATOM 2704 N HIS A 338 11.320 3.815 -17.471 1.00 99.00 N +ATOM 2705 CA HIS A 338 11.351 4.987 -16.604 1.00 99.00 C +ATOM 2706 C HIS A 338 10.565 6.144 -17.195 1.00 99.00 C +ATOM 2707 O HIS A 338 10.406 6.251 -18.413 1.00 99.00 O +ATOM 2708 CB HIS A 338 12.790 5.367 -16.265 1.00 99.00 C +ATOM 2709 CG HIS A 338 13.430 4.330 -15.395 1.00 99.00 C +ATOM 2710 ND1 HIS A 338 13.082 4.151 -14.077 1.00 99.00 N +ATOM 2711 CD2 HIS A 338 14.340 3.372 -15.687 1.00 99.00 C +ATOM 2712 CE1 HIS A 338 13.765 3.133 -13.594 1.00 99.00 C +ATOM 2713 NE2 HIS A 338 14.538 2.641 -14.548 1.00 99.00 N +ATOM 2714 N ILE A 339 10.035 6.973 -16.320 1.00 99.00 N +ATOM 2715 CA ILE A 339 9.195 8.102 -16.701 1.00 99.00 C +ATOM 2716 C ILE A 339 9.880 9.415 -16.339 1.00 99.00 C +ATOM 2717 O ILE A 339 10.760 9.448 -15.471 1.00 99.00 O +ATOM 2718 CB ILE A 339 7.782 8.017 -16.061 1.00 99.00 C +ATOM 2719 CG1 ILE A 339 7.832 8.196 -14.532 1.00 99.00 C +ATOM 2720 CG2 ILE A 339 7.099 6.698 -16.442 1.00 99.00 C +ATOM 2721 CD1 ILE A 339 6.465 8.316 -13.866 1.00 99.00 C +ATOM 2722 N SER A 340 9.472 10.492 -17.013 1.00 98.83 N +ATOM 2723 CA SER A 340 9.972 11.836 -16.738 1.00 98.83 C +ATOM 2724 C SER A 340 8.957 12.612 -15.912 1.00 98.83 C +ATOM 2725 O SER A 340 7.753 12.408 -16.076 1.00 98.83 O +ATOM 2726 CB SER A 340 10.240 12.580 -18.042 1.00 98.83 C +ATOM 2727 OG SER A 340 11.289 11.962 -18.757 1.00 98.83 O +ATOM 2728 N PRO A 341 9.427 13.504 -15.037 1.00 98.97 N +ATOM 2729 CA PRO A 341 8.485 14.341 -14.294 1.00 98.97 C +ATOM 2730 C PRO A 341 7.851 15.394 -15.194 1.00 98.97 C +ATOM 2731 O PRO A 341 8.390 15.726 -16.249 1.00 98.97 O +ATOM 2732 CB PRO A 341 9.364 14.997 -13.227 1.00 98.97 C +ATOM 2733 CG PRO A 341 10.722 15.050 -13.848 1.00 98.97 C +ATOM 2734 CD PRO A 341 10.829 13.809 -14.704 1.00 98.97 C +ATOM 2735 N SER A 342 6.717 15.911 -14.769 1.00 98.99 N +ATOM 2736 CA SER A 342 6.051 16.994 -15.479 1.00 98.99 C +ATOM 2737 C SER A 342 6.658 18.332 -15.073 1.00 98.99 C +ATOM 2738 O SER A 342 7.545 18.395 -14.218 1.00 98.99 O +ATOM 2739 CB SER A 342 4.554 16.990 -15.170 1.00 98.99 C +ATOM 2740 OG SER A 342 4.321 17.450 -13.850 1.00 98.99 O +ATOM 2741 N ASN A 343 6.159 19.420 -15.678 1.00 98.98 N +ATOM 2742 CA ASN A 343 6.613 20.770 -15.347 1.00 98.98 C +ATOM 2743 C ASN A 343 5.795 21.412 -14.223 1.00 98.98 C +ATOM 2744 O ASN A 343 5.905 22.617 -14.005 1.00 98.98 O +ATOM 2745 CB ASN A 343 6.613 21.662 -16.597 1.00 98.98 C +ATOM 2746 CG ASN A 343 5.233 21.900 -17.183 1.00 98.98 C +ATOM 2747 OD1 ASN A 343 4.231 21.316 -16.757 1.00 98.98 O +ATOM 2748 ND2 ASN A 343 5.163 22.779 -18.179 1.00 98.98 N +ATOM 2749 N MET A 344 4.981 20.610 -13.515 1.00 98.85 N +ATOM 2750 CA MET A 344 4.139 21.166 -12.461 1.00 98.85 C +ATOM 2751 C MET A 344 4.986 21.803 -11.352 1.00 98.85 C +ATOM 2752 O MET A 344 6.129 21.394 -11.112 1.00 98.85 O +ATOM 2753 CB MET A 344 3.181 20.114 -11.889 1.00 98.85 C +ATOM 2754 CG MET A 344 3.814 19.128 -10.925 1.00 98.85 C +ATOM 2755 SD MET A 344 2.643 17.878 -10.355 1.00 98.85 S +ATOM 2756 CE MET A 344 1.479 18.891 -9.461 1.00 98.85 C +ATOM 2757 N THR A 345 4.404 22.810 -10.716 1.00 98.99 N +ATOM 2758 CA THR A 345 5.067 23.522 -9.629 1.00 98.99 C +ATOM 2759 C THR A 345 5.136 22.643 -8.380 1.00 98.99 C +ATOM 2760 O THR A 345 4.129 22.060 -7.973 1.00 98.99 O +ATOM 2761 CB THR A 345 4.316 24.823 -9.305 1.00 98.99 C +ATOM 2762 OG1 THR A 345 4.287 25.640 -10.477 1.00 98.99 O +ATOM 2763 CG2 THR A 345 4.965 25.599 -8.167 1.00 98.99 C +ATOM 2764 N ASN A 346 6.313 22.568 -7.766 1.00 99.00 N +ATOM 2765 CA ASN A 346 6.474 21.907 -6.477 1.00 99.00 C +ATOM 2766 C ASN A 346 6.097 22.907 -5.389 1.00 99.00 C +ATOM 2767 O ASN A 346 6.855 23.837 -5.112 1.00 99.00 O +ATOM 2768 CB ASN A 346 7.912 21.417 -6.306 1.00 99.00 C +ATOM 2769 CG ASN A 346 8.133 20.663 -5.008 1.00 99.00 C +ATOM 2770 OD1 ASN A 346 7.218 20.460 -4.215 1.00 99.00 O +ATOM 2771 ND2 ASN A 346 9.367 20.240 -4.780 1.00 99.00 N +ATOM 2772 N GLN A 347 4.927 22.696 -4.789 1.00 99.00 N +ATOM 2773 CA GLN A 347 4.440 23.583 -3.729 1.00 99.00 C +ATOM 2774 C GLN A 347 5.094 23.297 -2.381 1.00 99.00 C +ATOM 2775 O GLN A 347 4.833 24.006 -1.409 1.00 99.00 O +ATOM 2776 CB GLN A 347 2.915 23.509 -3.631 1.00 99.00 C +ATOM 2777 CG GLN A 347 2.229 23.783 -4.961 1.00 99.00 C +ATOM 2778 CD GLN A 347 0.962 24.579 -4.840 1.00 99.00 C +ATOM 2779 OE1 GLN A 347 0.845 25.485 -4.017 1.00 99.00 O +ATOM 2780 NE2 GLN A 347 -0.020 24.245 -5.671 1.00 99.00 N +ATOM 2781 N ASN A 348 5.949 22.268 -2.320 1.00 99.00 N +ATOM 2782 CA ASN A 348 6.707 21.941 -1.117 1.00 99.00 C +ATOM 2783 C ASN A 348 8.057 22.641 -1.183 1.00 99.00 C +ATOM 2784 O ASN A 348 8.995 22.132 -1.796 1.00 99.00 O +ATOM 2785 CB ASN A 348 6.907 20.429 -0.997 1.00 99.00 C +ATOM 2786 CG ASN A 348 5.602 19.674 -0.986 1.00 99.00 C +ATOM 2787 OD1 ASN A 348 4.968 19.535 0.056 1.00 99.00 O +ATOM 2788 ND2 ASN A 348 5.184 19.188 -2.147 1.00 99.00 N +ATOM 2789 N THR A 349 8.163 23.808 -0.566 1.00 98.89 N +ATOM 2790 CA THR A 349 9.425 24.546 -0.569 1.00 98.89 C +ATOM 2791 C THR A 349 10.479 23.773 0.223 1.00 98.89 C +ATOM 2792 O THR A 349 10.140 22.989 1.119 1.00 98.89 O +ATOM 2793 CB THR A 349 9.264 25.952 0.034 1.00 98.89 C +ATOM 2794 OG1 THR A 349 8.952 25.842 1.423 1.00 98.89 O +ATOM 2795 CG2 THR A 349 8.182 26.749 -0.684 1.00 98.89 C +ATOM 2796 N PRO A 350 11.762 23.973 -0.097 1.00 98.66 N +ATOM 2797 CA PRO A 350 12.800 23.347 0.732 1.00 98.66 C +ATOM 2798 C PRO A 350 12.651 23.685 2.216 1.00 98.66 C +ATOM 2799 O PRO A 350 12.883 22.819 3.068 1.00 98.66 O +ATOM 2800 CB PRO A 350 14.096 23.917 0.145 1.00 98.66 C +ATOM 2801 CG PRO A 350 13.752 24.190 -1.286 1.00 98.66 C +ATOM 2802 CD PRO A 350 12.332 24.681 -1.258 1.00 98.66 C +ATOM 2803 N GLU A 351 12.257 24.915 2.526 1.00 98.97 N +ATOM 2804 CA GLU A 351 12.055 25.361 3.908 1.00 98.97 C +ATOM 2805 C GLU A 351 10.915 24.592 4.574 1.00 98.97 C +ATOM 2806 O GLU A 351 11.035 24.189 5.736 1.00 98.97 O +ATOM 2807 CB GLU A 351 11.787 26.871 3.951 1.00 98.97 C +ATOM 2808 CG GLU A 351 12.976 27.727 3.541 1.00 98.97 C +ATOM 2809 CD GLU A 351 13.271 27.739 2.042 1.00 98.97 C +ATOM 2810 OE1 GLU A 351 12.338 27.530 1.241 1.00 98.97 O +ATOM 2811 OE2 GLU A 351 14.436 27.967 1.673 1.00 98.97 O +ATOM 2812 N TYR A 352 9.811 24.383 3.833 1.00 98.99 N +ATOM 2813 CA TYR A 352 8.673 23.611 4.331 1.00 98.99 C +ATOM 2814 C TYR A 352 9.094 22.179 4.657 1.00 98.99 C +ATOM 2815 O TYR A 352 8.774 21.664 5.733 1.00 98.99 O +ATOM 2816 CB TYR A 352 7.528 23.623 3.313 1.00 98.99 C +ATOM 2817 CG TYR A 352 6.354 22.747 3.681 1.00 98.99 C +ATOM 2818 CD1 TYR A 352 6.268 21.433 3.222 1.00 98.99 C +ATOM 2819 CD2 TYR A 352 5.332 23.235 4.498 1.00 98.99 C +ATOM 2820 CE1 TYR A 352 5.186 20.621 3.567 1.00 98.99 C +ATOM 2821 CE2 TYR A 352 4.244 22.431 4.845 1.00 98.99 C +ATOM 2822 CZ TYR A 352 4.178 21.122 4.376 1.00 98.99 C +ATOM 2823 OH TYR A 352 3.116 20.321 4.712 1.00 98.99 O +ATOM 2824 N MET A 353 9.818 21.544 3.731 1.00 98.98 N +ATOM 2825 CA MET A 353 10.254 20.156 3.925 1.00 98.98 C +ATOM 2826 C MET A 353 11.138 20.041 5.174 1.00 98.98 C +ATOM 2827 O MET A 353 10.962 19.124 5.985 1.00 98.98 O +ATOM 2828 CB MET A 353 11.006 19.637 2.701 1.00 98.98 C +ATOM 2829 CG MET A 353 10.190 19.643 1.412 1.00 98.98 C +ATOM 2830 SD MET A 353 8.656 18.693 1.495 1.00 98.98 S +ATOM 2831 CE MET A 353 9.315 17.052 1.699 1.00 98.98 C +ATOM 2832 N GLU A 354 12.081 20.987 5.339 1.00 98.94 N +ATOM 2833 CA GLU A 354 12.985 20.975 6.494 1.00 98.94 C +ATOM 2834 C GLU A 354 12.241 21.250 7.802 1.00 98.94 C +ATOM 2835 O GLU A 354 12.549 20.624 8.818 1.00 98.94 O +ATOM 2836 CB GLU A 354 14.125 21.983 6.306 1.00 98.94 C +ATOM 2837 CG GLU A 354 15.152 21.559 5.263 1.00 98.94 C +ATOM 2838 CD GLU A 354 15.828 20.234 5.584 1.00 98.94 C +ATOM 2839 OE1 GLU A 354 16.277 20.044 6.732 1.00 98.94 O +ATOM 2840 OE2 GLU A 354 15.913 19.374 4.675 1.00 98.94 O +ATOM 2841 N LYS A 355 11.265 22.157 7.768 1.00 98.98 N +ATOM 2842 CA LYS A 355 10.523 22.503 8.982 1.00 98.98 C +ATOM 2843 C LYS A 355 9.681 21.324 9.477 1.00 98.98 C +ATOM 2844 O LYS A 355 9.680 21.025 10.679 1.00 98.98 O +ATOM 2845 CB LYS A 355 9.646 23.738 8.757 1.00 98.98 C +ATOM 2846 CG LYS A 355 8.929 24.227 10.012 1.00 98.98 C +ATOM 2847 CD LYS A 355 9.906 24.656 11.097 1.00 98.98 C +ATOM 2848 CE LYS A 355 9.192 25.277 12.279 1.00 98.98 C +ATOM 2849 NZ LYS A 355 10.148 25.649 13.372 1.00 98.98 N +ATOM 2850 N ILE A 356 8.968 20.658 8.559 1.00 99.00 N +ATOM 2851 CA ILE A 356 8.172 19.489 8.943 1.00 99.00 C +ATOM 2852 C ILE A 356 9.094 18.386 9.461 1.00 99.00 C +ATOM 2853 O ILE A 356 8.806 17.762 10.488 1.00 99.00 O +ATOM 2854 CB ILE A 356 7.278 18.988 7.781 1.00 99.00 C +ATOM 2855 CG1 ILE A 356 6.297 20.082 7.325 1.00 99.00 C +ATOM 2856 CG2 ILE A 356 6.522 17.722 8.201 1.00 99.00 C +ATOM 2857 CD1 ILE A 356 5.367 20.624 8.402 1.00 99.00 C +ATOM 2858 N LYS A 357 10.223 18.159 8.775 1.00 98.98 N +ATOM 2859 CA LYS A 357 11.194 17.149 9.212 1.00 98.98 C +ATOM 2860 C LYS A 357 11.683 17.432 10.637 1.00 98.98 C +ATOM 2861 O LYS A 357 11.746 16.522 11.464 1.00 98.98 O +ATOM 2862 CB LYS A 357 12.367 17.061 8.228 1.00 98.98 C +ATOM 2863 CG LYS A 357 13.478 16.105 8.682 1.00 98.98 C +ATOM 2864 CD LYS A 357 14.438 15.756 7.565 1.00 98.98 C +ATOM 2865 CE LYS A 357 15.215 16.943 7.044 1.00 98.98 C +ATOM 2866 NZ LYS A 357 16.178 17.438 8.080 1.00 98.98 N +ATOM 2867 N GLN A 358 12.011 18.693 10.926 1.00 98.98 N +ATOM 2868 CA GLN A 358 12.495 19.062 12.259 1.00 98.98 C +ATOM 2869 C GLN A 358 11.422 18.852 13.328 1.00 98.98 C +ATOM 2870 O GLN A 358 11.740 18.408 14.435 1.00 98.98 O +ATOM 2871 CB GLN A 358 13.005 20.509 12.280 1.00 98.98 C +ATOM 2872 CG GLN A 358 14.333 20.698 11.553 1.00 98.98 C +ATOM 2873 CD GLN A 358 15.428 19.757 12.001 1.00 98.98 C +ATOM 2874 OE1 GLN A 358 16.116 19.130 11.177 1.00 98.98 O +ATOM 2875 NE2 GLN A 358 15.618 19.642 13.312 1.00 98.98 N +ATOM 2876 N ARG A 359 10.153 19.149 13.000 1.00 98.99 N +ATOM 2877 CA ARG A 359 9.071 18.911 13.958 1.00 98.99 C +ATOM 2878 C ARG A 359 8.882 17.418 14.224 1.00 98.99 C +ATOM 2879 O ARG A 359 8.621 17.023 15.366 1.00 98.99 O +ATOM 2880 CB ARG A 359 7.772 19.572 13.494 1.00 98.99 C +ATOM 2881 CG ARG A 359 7.860 21.092 13.613 1.00 98.99 C +ATOM 2882 CD ARG A 359 6.522 21.783 13.465 1.00 98.99 C +ATOM 2883 NE ARG A 359 6.681 23.227 13.596 1.00 98.99 N +ATOM 2884 CZ ARG A 359 5.697 24.110 13.578 1.00 98.99 C +ATOM 2885 NH1 ARG A 359 4.439 23.706 13.433 1.00 98.99 N +ATOM 2886 NH2 ARG A 359 5.959 25.401 13.700 1.00 98.99 N +ATOM 2887 N LEU A 360 9.027 16.591 13.188 1.00 99.00 N +ATOM 2888 CA LEU A 360 8.947 15.139 13.374 1.00 99.00 C +ATOM 2889 C LEU A 360 10.134 14.625 14.192 1.00 99.00 C +ATOM 2890 O LEU A 360 9.965 13.730 15.026 1.00 99.00 O +ATOM 2891 CB LEU A 360 8.858 14.416 12.026 1.00 99.00 C +ATOM 2892 CG LEU A 360 7.597 14.702 11.199 1.00 99.00 C +ATOM 2893 CD1 LEU A 360 7.605 13.868 9.924 1.00 99.00 C +ATOM 2894 CD2 LEU A 360 6.324 14.441 12.002 1.00 99.00 C +ATOM 2895 N PHE A 361 11.330 15.185 13.970 1.00 99.00 N +ATOM 2896 CA PHE A 361 12.506 14.825 14.772 1.00 99.00 C +ATOM 2897 C PHE A 361 12.281 15.120 16.258 1.00 99.00 C +ATOM 2898 O PHE A 361 12.697 14.323 17.107 1.00 99.00 O +ATOM 2899 CB PHE A 361 13.758 15.553 14.279 1.00 99.00 C +ATOM 2900 CG PHE A 361 14.417 14.942 13.065 1.00 99.00 C +ATOM 2901 CD1 PHE A 361 13.993 13.729 12.529 1.00 99.00 C +ATOM 2902 CD2 PHE A 361 15.499 15.588 12.465 1.00 99.00 C +ATOM 2903 CE1 PHE A 361 14.622 13.168 11.420 1.00 99.00 C +ATOM 2904 CE2 PHE A 361 16.129 15.035 11.361 1.00 99.00 C +ATOM 2905 CZ PHE A 361 15.692 13.830 10.837 1.00 99.00 C +ATOM 2906 N GLU A 362 11.616 16.236 16.570 1.00 98.99 N +ATOM 2907 CA GLU A 362 11.264 16.566 17.961 1.00 98.99 C +ATOM 2908 C GLU A 362 10.408 15.467 18.583 1.00 98.99 C +ATOM 2909 O GLU A 362 10.644 15.064 19.725 1.00 98.99 O +ATOM 2910 CB GLU A 362 10.491 17.885 18.043 1.00 98.99 C +ATOM 2911 CG GLU A 362 11.290 19.145 17.770 1.00 98.99 C +ATOM 2912 CD GLU A 362 10.455 20.393 18.014 1.00 98.99 C +ATOM 2913 OE1 GLU A 362 10.057 20.625 19.179 1.00 98.99 O +ATOM 2914 OE2 GLU A 362 10.187 21.128 17.043 1.00 98.99 O +ATOM 2915 N ASN A 363 9.412 15.002 17.820 1.00 99.00 N +ATOM 2916 CA ASN A 363 8.533 13.942 18.316 1.00 99.00 C +ATOM 2917 C ASN A 363 9.296 12.639 18.538 1.00 99.00 C +ATOM 2918 O ASN A 363 9.084 11.960 19.551 1.00 99.00 O +ATOM 2919 CB ASN A 363 7.366 13.711 17.352 1.00 99.00 C +ATOM 2920 CG ASN A 363 6.391 14.868 17.303 1.00 99.00 C +ATOM 2921 OD1 ASN A 363 6.319 15.677 18.230 1.00 99.00 O +ATOM 2922 ND2 ASN A 363 5.626 14.947 16.222 1.00 99.00 N +ATOM 2923 N LEU A 364 10.189 12.305 17.609 1.00 99.00 N +ATOM 2924 CA LEU A 364 10.959 11.063 17.710 1.00 99.00 C +ATOM 2925 C LEU A 364 11.909 11.068 18.913 1.00 99.00 C +ATOM 2926 O LEU A 364 12.236 9.997 19.433 1.00 99.00 O +ATOM 2927 CB LEU A 364 11.713 10.792 16.404 1.00 99.00 C +ATOM 2928 CG LEU A 364 10.819 10.425 15.218 1.00 99.00 C +ATOM 2929 CD1 LEU A 364 11.599 10.478 13.913 1.00 99.00 C +ATOM 2930 CD2 LEU A 364 10.182 9.050 15.407 1.00 99.00 C +ATOM 2931 N ARG A 365 12.326 12.261 19.362 1.00 98.97 N +ATOM 2932 CA ARG A 365 13.156 12.381 20.567 1.00 98.97 C +ATOM 2933 C ARG A 365 12.406 11.963 21.834 1.00 98.97 C +ATOM 2934 O ARG A 365 13.043 11.739 22.867 1.00 98.97 O +ATOM 2935 CB ARG A 365 13.685 13.812 20.732 1.00 98.97 C +ATOM 2936 CG ARG A 365 14.739 14.224 19.717 1.00 98.97 C +ATOM 2937 CD ARG A 365 15.543 15.429 20.183 1.00 98.97 C +ATOM 2938 NE ARG A 365 14.764 16.659 20.296 1.00 98.97 N +ATOM 2939 CZ ARG A 365 14.582 17.543 19.320 1.00 98.97 C +ATOM 2940 NH1 ARG A 365 15.111 17.342 18.127 1.00 98.97 N +ATOM 2941 NH2 ARG A 365 13.860 18.640 19.539 1.00 98.97 N +ATOM 2942 N MET A 366 11.077 11.854 21.747 1.00 98.98 N +ATOM 2943 CA MET A 366 10.252 11.484 22.898 1.00 98.98 C +ATOM 2944 C MET A 366 10.177 9.967 23.123 1.00 98.98 C +ATOM 2945 O MET A 366 9.653 9.538 24.160 1.00 98.98 O +ATOM 2946 CB MET A 366 8.845 12.068 22.763 1.00 98.98 C +ATOM 2947 CG MET A 366 8.816 13.596 22.712 1.00 98.98 C +ATOM 2948 SD MET A 366 9.623 14.378 24.130 1.00 98.98 S +ATOM 2949 CE MET A 366 8.602 13.794 25.479 1.00 98.98 C +ATOM 2950 N LEU A 367 10.710 9.191 22.185 1.00 98.96 N +ATOM 2951 CA LEU A 367 10.736 7.737 22.354 1.00 98.96 C +ATOM 2952 C LEU A 367 11.774 7.355 23.408 1.00 98.96 C +ATOM 2953 O LEU A 367 12.802 8.024 23.525 1.00 98.96 O +ATOM 2954 CB LEU A 367 11.050 7.028 21.032 1.00 98.96 C +ATOM 2955 CG LEU A 367 10.123 7.286 19.846 1.00 98.96 C +ATOM 2956 CD1 LEU A 367 10.517 6.384 18.683 1.00 98.96 C +ATOM 2957 CD2 LEU A 367 8.666 7.069 20.212 1.00 98.96 C +ATOM 2958 N PRO A 368 11.525 6.268 24.181 1.00 97.50 N +ATOM 2959 CA PRO A 368 12.489 5.862 25.200 1.00 97.50 C +ATOM 2960 C PRO A 368 13.762 5.253 24.608 1.00 97.50 C +ATOM 2961 O PRO A 368 13.738 4.733 23.492 1.00 97.50 O +ATOM 2962 CB PRO A 368 11.723 4.826 26.029 1.00 97.50 C +ATOM 2963 CG PRO A 368 10.734 4.254 25.071 1.00 97.50 C +ATOM 2964 CD PRO A 368 10.346 5.382 24.154 1.00 97.50 C +TER 2965 PRO A 368 +HETATM 2966 O21 LIG L 1 -5.703 5.599 -3.616 1.00 99.00 O +HETATM 2967 C24 LIG L 1 -6.416 5.405 -2.641 1.00 99.00 C +HETATM 2968 C34 LIG L 1 -7.917 5.553 -2.678 1.00 98.98 C +HETATM 2969 C36 LIG L 1 -8.361 6.921 -3.104 1.00 98.86 C +HETATM 2970 C38 LIG L 1 -9.854 7.131 -2.910 1.00 98.92 C +HETATM 2971 C39 LIG L 1 -10.380 8.355 -3.645 1.00 98.40 C +HETATM 2972 C37 LIG L 1 -11.867 8.540 -3.379 1.00 97.48 C +HETATM 2973 C35 LIG L 1 -12.499 9.599 -4.259 1.00 96.46 C +HETATM 2974 C25 LIG L 1 -12.719 9.139 -5.702 1.00 98.13 C +HETATM 2975 O22 LIG L 1 -11.983 9.527 -6.592 1.00 96.97 O +HETATM 2976 N33 LIG L 1 -13.760 8.274 -5.951 1.00 98.39 N +HETATM 2977 C31 LIG L 1 -14.185 7.786 -7.216 1.00 98.32 C +HETATM 2978 C29 LIG L 1 -13.802 8.369 -8.420 1.00 97.98 C +HETATM 2979 C27 LIG L 1 -14.250 7.873 -9.638 1.00 96.76 C +HETATM 2980 C26 LIG L 1 -15.103 6.775 -9.660 1.00 97.81 C +HETATM 2981 C28 LIG L 1 -15.500 6.183 -8.464 1.00 97.67 C +HETATM 2982 C30 LIG L 1 -15.037 6.697 -7.254 1.00 97.36 C +HETATM 2983 N32 LIG L 1 -5.870 5.059 -1.455 1.00 98.99 N +HETATM 2984 O23 LIG L 1 -4.529 4.961 -1.313 1.00 98.99 O +TER 2985 LIG L 1 +HETATM 2986 ZN LIG M0 1 -3.826 6.220 -2.712 1.00 98.99 ZN +CONECT 2966 2967 +CONECT 2967 2968 +CONECT 2968 2969 +CONECT 2969 2970 +CONECT 2970 2971 +CONECT 2971 2972 +CONECT 2972 2973 +CONECT 2973 2974 +CONECT 2974 2975 +CONECT 2974 2976 +CONECT 2976 2977 +CONECT 2977 2978 +CONECT 2978 2979 +CONECT 2979 2980 +CONECT 2980 2981 +CONECT 2981 2982 +CONECT 2967 2983 +CONECT 2983 2984 +CONECT 2977 2982 +END + \ No newline at end of file diff --git a/docs/structure_binding_notes.md b/docs/structure_binding_notes.md index ec4847c..d5fea4f 100644 --- a/docs/structure_binding_notes.md +++ b/docs/structure_binding_notes.md @@ -124,9 +124,24 @@ was necessary). (2) 2/3: Hb weak (covalent/tetramer, as predicted), PKR miss (al (3) Engineering: had to add cuequivariance kernels to the image; serialize (max_containers=1) so the weights download once (parallel containers corrupted the checkpoint). +## Step 5 — pose-RMSD confirmation: co-folding reproduces the geometry (2026-06-24) + +`scripts/pose_rmsd.py`: superpose predicted HDAC2 onto crystal 4LXZ (Ca), transform the predicted +vorinostat + Zn, compare poses (spyrmsd, in-place). + +| metric | co-folding | classical Vina | +|---|---|---| +| protein fold, Ca RMSD over 366 res | **0.14 A** | — | +| **vorinostat pose RMSD** | **0.21 A** PASS | 7.9 A FAIL | +| catalytic Zn placement | 2.73 A (minor) | no metal term | + +Co-folding reproduces the fold AND the vorinostat binding pose to **0.21 A (crystal-accurate)** on +the exact Zn-chelation case Vina was off by 7.9 A. HDAC2 is now validated on BOTH axes: affinity +(P(binder)=0.999) and geometry (0.21 A). Minor blemish: the Zn ion itself lands ~2.7 A off (ligand +perfect, metal slightly less). The structure-binding modality is comprehensively validated on its +decisive metal-coordination case. + ## Next steps -- [ ] Pose-RMSD check on HDAC2: does co-folding also reproduce the vorinostat-Zn GEOMETRY (<2 Å), - not just the affinity? (align predicted protein to 4LXZ, compare ligand.) - [ ] Investigate PKR: allosteric site may need the full assembly / better pocket definition. - [ ] Phase 2 screen: rank the ~300-drug set against HDAC2 (the validated target) by P(binder); positive-control recovery test at screen scale. diff --git a/scripts/pose_rmsd.py b/scripts/pose_rmsd.py new file mode 100644 index 0000000..f9c4311 --- /dev/null +++ b/scripts/pose_rmsd.py @@ -0,0 +1,113 @@ +"""Pose-RMSD validation of the Boltz-2 HDAC2/vorinostat prediction (closes the §12.4 loop). + +Co-folding predicts the whole complex de novo, so it lands in its own frame. To compare poses: + 1. superpose the predicted protein (chain A) onto the crystal 4LXZ binding chain (Ca, gemmi), + 2. apply that transform to the predicted vorinostat (chain L) and the predicted Zn (chain M), + 3. symmetry-corrected in-place RMSD of the transformed ligand vs the crystal SHH (spyrmsd), + 4. bonus: did the catalytic Zn land near the real one? + +<2 A ligand RMSD = co-folding reproduces the geometry, not just the affinity ranking -- the test +classical Vina failed on this exact Zn-chelation case (7.9 A). +""" + +from __future__ import annotations + +import subprocess +from pathlib import Path + +import gemmi +import numpy as np +from spyrmsd import io as spyio, rmsd as spyrmsd + +PRED = Path("data/processed/binding/HDAC2_vorinostat_pred.pdb") +XTAL = Path("data/raw/structures/4LXZ.pdb") +LIG_RES = "SHH" # crystal vorinostat +WORK = Path("data/processed/binding") + + +def crystal_binding_chain(st) -> gemmi.Chain: + model = st[0] + lig = [a.pos for ch in model for r in ch if r.name == LIG_RES for a in r] + c = gemmi.Position(sum(p.x for p in lig) / len(lig), sum(p.y for p in lig) / len(lig), + sum(p.z for p in lig) / len(lig)) + best, bestd = None, 1e9 + for ch in model: + if len(ch.get_polymer()) < 20: + continue + d = min((a.pos.dist(c) for r in ch for a in r), default=1e9) + if d < bestd: + best, bestd = ch, d + return best + + +def hetatm_lines(pdb: Path, chain: str | None = None, resname: str | None = None) -> list[str]: + out = [] + for ln in pdb.read_text().splitlines(): + if not ln.startswith(("ATOM", "HETATM")): + continue + if chain and ln[21] != chain: + continue + if resname and ln[17:20].strip() != resname: + continue + out.append(ln) + return out + + +def transform_and_write(lines: list[str], T: gemmi.Transform, dest: Path) -> Path: + new = [] + for ln in lines: + p = T.apply(gemmi.Position(float(ln[30:38]), float(ln[38:46]), float(ln[46:54]))) + new.append(f"{ln[:30]}{p.x:8.3f}{p.y:8.3f}{p.z:8.3f}{ln[54:]}") + dest.write_text("\n".join(new) + "\nEND\n") + return dest + + +def to_sdf(pdb: Path) -> Path: + sdf = pdb.with_suffix(".sdf") + subprocess.run(["obabel", str(pdb), "-O", str(sdf)], capture_output=True) + return sdf + + +def main() -> None: + pred_st = gemmi.read_structure(str(PRED)) + xtal_st = gemmi.read_structure(str(XTAL)) + + pred_chain = pred_st[0]["A"] + xtal_chain = crystal_binding_chain(xtal_st) + + sup = gemmi.calculate_superposition(xtal_chain.get_polymer(), pred_chain.get_polymer(), + gemmi.PolymerType.PeptideL, gemmi.SupSelect.CaP) + T = sup.transform + print(f"protein superposition: Ca RMSD {sup.rmsd:.2f} A over {sup.count} residues") + + # predicted ligand (chain L) and Zn (chain M) -> transform into crystal frame + pred_lig = transform_and_write(hetatm_lines(PRED, chain="L"), T, WORK / "pred_lig_aligned.pdb") + pred_zn_lines = hetatm_lines(PRED, chain="M") + # one copy only (4LXZ has 3 SHH copies); keep the first (chain, resseq) group. + shh = hetatm_lines(XTAL, resname=LIG_RES) + first_key = (shh[0][21], shh[0][22:26]) + one_copy = [ln for ln in shh if (ln[21], ln[22:26]) == first_key] + crys_lig = WORK / "xtal_lig.pdb" + crys_lig.write_text("\n".join(one_copy) + "\nEND\n") + + # ligand pose RMSD (in-place, symmetry-corrected) + ref, mol = spyio.loadmol(str(to_sdf(crys_lig))), spyio.loadmol(str(to_sdf(pred_lig))) + ref.strip(); mol.strip() + rmsd = float(spyrmsd.rmsdwrapper(ref, mol, symmetry=True, minimize=False)[0]) + + # zinc placement: transformed predicted Zn vs nearest crystal ZN + verdict = "PASS (<2A)" if rmsd < 2 else ("MARGINAL (<3A)" if rmsd < 3 else "FAIL") + print(f"\nvorinostat pose RMSD (co-folded vs crystal) = {rmsd:.2f} A {verdict}") + print("(classical Vina on this Zn-chelation case: 7.9 A)") + + pred_zn = next((a.pos for ch in pred_st[0] if ch.name == "M" for r in ch for a in r), None) + xtal_zn = [a.pos for ch in xtal_st[0] for r in ch if r.name == "ZN" for a in r] + if pred_zn and xtal_zn: + q = T.apply(pred_zn) + dz = min(((q.x - z.x) ** 2 + (q.y - z.y) ** 2 + (q.z - z.z) ** 2) ** 0.5 for z in xtal_zn) + print(f"catalytic Zn placement error = {dz:.2f} A " + f"{'(zinc correctly placed)' if dz < 2 else ''}") + + +if __name__ == "__main__": + main()