Browse entries in the PDBbind-CN Database
HEADER 2BVE_COMPLEX COMPND 2BVE_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 119 THR TRP GLY VAL SER SER PRO LYS ASN VAL GLN GLY LEU SEQRES 2 A 119 SER GLY SER CYS LEU LEU ILE PRO CYS ILE PHE SER TYR SEQRES 3 A 119 PRO ALA ASP VAL PRO VAL SER ASN GLY ILE THR ALA ILE SEQRES 4 A 119 TRP TYR TYR ASP TYR SER GLY LYS ARG GLN VAL VAL ILE SEQRES 5 A 119 HIS SER GLY ASP PRO LYS LEU VAL ASP LYS ARG PHE ARG SEQRES 6 A 119 GLY ARG ALA GLU LEU MET GLY ASN MET ASP HIS LYS VAL SEQRES 7 A 119 CYS ASN LEU LEU LEU LYS ASP LEU LYS PRO GLU ASP SER SEQRES 8 A 119 GLY THR TYR ASN PHE ARG PHE GLU ILE SER ASP SER ASN SEQRES 9 A 119 ARG TRP LEU ASP VAL LYS GLY THR THR VAL THR VAL THR SEQRES 10 A 119 THR ASP HET PH A 5 55 SSBOND 1 CYS A 22 CYS A 79 ATOM 1 N THR A 1 24.038 30.606 19.299 1.00 37.76 N ATOM 2 CA THR A 1 24.330 32.019 19.694 1.00 40.97 C ATOM 3 C THR A 1 23.073 32.790 20.129 1.00 33.45 C ATOM 4 O THR A 1 22.154 32.995 19.342 1.00 37.30 O ATOM 5 CB THR A 1 25.012 32.770 18.537 1.00 40.12 C ATOM 6 OG1 THR A 1 25.024 34.176 18.814 1.00 44.26 O ATOM 7 CG2 THR A 1 24.283 32.504 17.237 1.00 49.72 C ATOM 8 HA THR A 1 24.998 31.966 20.554 1.00 0.00 H ATOM 9 HB THR A 1 26.038 32.415 18.440 1.00 0.00 H ATOM 10 HG1 THR A 1 24.094 34.500 18.913 1.00 0.00 H ATOM 11 HG23 THR A 1 24.280 31.433 17.036 1.00 0.00 H ATOM 12 HG21 THR A 1 23.257 32.863 17.317 1.00 0.00 H ATOM 13 HG22 THR A 1 24.789 33.026 16.425 1.00 0.00 H ATOM 14 HN3 THR A 1 23.371 30.601 18.501 1.00 0.00 H ATOM 15 HN2 THR A 1 23.619 30.101 20.106 1.00 0.00 H ATOM 16 HN1 THR A 1 24.922 30.137 19.016 1.00 0.00 H ATOM 17 N TRP A 2 23.061 33.221 21.387 1.00 31.16 N ATOM 18 CA TRP A 2 21.935 33.957 21.971 1.00 26.46 C ATOM 19 C TRP A 2 21.585 35.261 21.276 1.00 23.78 C ATOM 20 O TRP A 2 22.452 36.104 21.060 1.00 28.76 O ATOM 21 CB TRP A 2 22.210 34.261 23.440 1.00 18.32 C ATOM 22 CG TRP A 2 22.214 33.053 24.306 1.00 18.14 C ATOM 23 CD1 TRP A 2 23.304 32.371 24.746 1.00 12.43 C ATOM 24 CD2 TRP A 2 21.072 32.374 24.845 1.00 16.04 C ATOM 25 NE1 TRP A 2 22.922 31.317 25.525 1.00 24.44 N ATOM 26 CE2 TRP A 2 21.558 31.289 25.606 1.00 18.73 C ATOM 27 CE3 TRP A 2 19.691 32.576 24.761 1.00 18.96 C ATOM 28 CZ2 TRP A 2 20.712 30.404 26.282 1.00 22.89 C ATOM 29 CZ3 TRP A 2 18.843 31.696 25.437 1.00 24.14 C ATOM 30 CH2 TRP A 2 19.358 30.625 26.186 1.00 23.61 C ATOM 31 HA TRP A 2 21.079 33.294 21.843 1.00 0.00 H ATOM 32 HB2 TRP A 2 23.185 34.743 23.516 1.00 0.00 H ATOM 33 HB3 TRP A 2 21.440 34.942 23.802 1.00 0.00 H ATOM 34 HE1 TRP A 2 23.567 30.642 25.984 1.00 0.00 H ATOM 35 HD1 TRP A 2 24.337 32.629 24.510 1.00 0.00 H ATOM 36 HZ2 TRP A 2 21.110 29.572 26.862 1.00 0.00 H ATOM 37 HH2 TRP A 2 18.670 29.955 26.702 1.00 0.00 H ATOM 38 HZ3 TRP A 2 17.764 31.843 25.383 1.00 0.00 H ATOM 39 HE3 TRP A 2 19.284 33.404 24.180 1.00 0.00 H ATOM 40 H TRP A 2 23.889 33.027 21.985 1.00 0.00 H ATOM 41 N GLY A 3 20.311 35.437 20.941 1.00 20.05 N ATOM 42 CA GLY A 3 19.905 36.668 20.278 1.00 23.00 C ATOM 43 C GLY A 3 18.431 36.804 19.921 1.00 23.98 C ATOM 44 O GLY A 3 17.673 35.834 19.991 1.00 19.54 O ATOM 45 HA3 GLY A 3 20.477 36.749 19.354 1.00 0.00 H ATOM 46 HA2 GLY A 3 20.163 37.498 20.937 1.00 0.00 H ATOM 47 H GLY A 3 19.608 34.700 21.151 1.00 0.00 H ATOM 48 N VAL A 4 18.026 38.029 19.573 1.00 25.20 N ATOM 49 CA VAL A 4 16.653 38.329 19.163 1.00 24.88 C ATOM 50 C VAL A 4 16.734 39.362 18.050 1.00 27.87 C ATOM 51 O VAL A 4 17.310 40.443 18.247 1.00 20.87 O ATOM 52 CB VAL A 4 15.771 38.930 20.314 1.00 18.97 C ATOM 53 CG1 VAL A 4 14.365 39.254 19.785 1.00 20.81 C ATOM 54 CG2 VAL A 4 15.681 37.956 21.491 1.00 18.71 C ATOM 55 HA VAL A 4 16.185 37.394 18.856 1.00 0.00 H ATOM 56 HB VAL A 4 16.239 39.850 20.665 1.00 0.00 H ATOM 57 HG11 VAL A 4 14.441 39.979 18.975 1.00 0.00 H ATOM 58 HG12 VAL A 4 13.898 38.341 19.414 1.00 0.00 H ATOM 59 HG13 VAL A 4 13.762 39.670 20.592 1.00 0.00 H ATOM 60 HG21 VAL A 4 15.233 37.021 21.154 1.00 0.00 H ATOM 61 HG22 VAL A 4 16.681 37.762 21.878 1.00 0.00 H ATOM 62 HG23 VAL A 4 15.065 38.393 22.277 1.00 0.00 H ATOM 63 H VAL A 4 18.718 38.805 19.594 1.00 0.00 H ATOM 64 N SER A 5 16.172 39.007 16.890 1.00 29.62 N ATOM 65 CA SER A 5 16.132 39.880 15.711 1.00 34.06 C ATOM 66 C SER A 5 14.691 40.291 15.409 1.00 35.45 C ATOM 67 O SER A 5 13.823 39.450 15.162 1.00 34.40 O ATOM 68 CB SER A 5 16.712 39.175 14.488 1.00 31.07 C ATOM 69 OG SER A 5 18.091 38.910 14.658 1.00 50.05 O ATOM 70 HA SER A 5 16.732 40.763 15.930 1.00 0.00 H ATOM 71 HB2 SER A 5 16.577 39.811 13.613 1.00 0.00 H ATOM 72 HB3 SER A 5 16.184 38.233 14.336 1.00 0.00 H ATOM 73 HG SER A 5 18.440 38.454 13.852 1.00 0.00 H ATOM 74 H SER A 5 15.741 38.063 16.819 1.00 0.00 H ATOM 75 N SER A 6 14.453 41.596 15.453 1.00 37.80 N ATOM 76 CA SER A 6 13.142 42.174 15.191 1.00 35.87 C ATOM 77 C SER A 6 13.455 43.597 14.745 1.00 36.14 C ATOM 78 O SER A 6 14.523 44.130 15.078 1.00 38.84 O ATOM 79 CB SER A 6 12.307 42.207 16.457 1.00 30.91 C ATOM 80 OG SER A 6 12.816 43.195 17.327 1.00 30.82 O ATOM 81 HA SER A 6 12.576 41.604 14.455 1.00 0.00 H ATOM 82 HB2 SER A 6 12.349 41.234 16.946 1.00 0.00 H ATOM 83 HB3 SER A 6 11.273 42.441 16.205 1.00 0.00 H ATOM 84 HG SER A 6 12.272 43.217 18.154 1.00 0.00 H ATOM 85 H SER A 6 15.239 42.236 15.685 1.00 0.00 H ATOM 86 N PRO A 7 12.526 44.240 14.012 1.00 34.31 N ATOM 87 CA PRO A 7 12.728 45.607 13.517 1.00 30.27 C ATOM 88 C PRO A 7 12.918 46.673 14.603 1.00 30.31 C ATOM 89 O PRO A 7 12.386 46.568 15.708 1.00 28.71 O ATOM 90 CB PRO A 7 11.472 45.843 12.679 1.00 31.31 C ATOM 91 CG PRO A 7 10.418 45.113 13.495 1.00 28.11 C ATOM 92 CD PRO A 7 11.125 43.812 13.807 1.00 30.13 C ATOM 93 HA PRO A 7 13.662 45.698 12.962 1.00 0.00 H ATOM 94 HD3 PRO A 7 10.719 43.351 14.707 1.00 0.00 H ATOM 95 HD2 PRO A 7 11.046 43.113 12.975 1.00 0.00 H ATOM 96 HG3 PRO A 7 9.511 44.944 12.915 1.00 0.00 H ATOM 97 HG2 PRO A 7 10.169 45.659 14.405 1.00 0.00 H ATOM 98 HB2 PRO A 7 11.244 46.906 12.594 1.00 0.00 H ATOM 99 HB3 PRO A 7 11.572 45.413 11.682 1.00 0.00 H ATOM 100 N LYS A 8 13.672 47.711 14.267 1.00 31.39 N ATOM 101 CA LYS A 8 13.931 48.814 15.189 1.00 27.49 C ATOM 102 C LYS A 8 12.668 49.690 15.284 1.00 22.46 C ATOM 103 O LYS A 8 12.317 50.184 16.353 1.00 19.85 O ATOM 104 CB LYS A 8 15.112 49.626 14.663 1.00 29.96 C ATOM 105 CG LYS A 8 15.811 50.432 15.705 1.00 37.26 C ATOM 106 CD LYS A 8 16.965 51.253 15.132 1.00 36.77 C ATOM 107 CE LYS A 8 17.589 52.092 16.258 1.00 51.11 C ATOM 108 NZ LYS A 8 18.544 53.157 15.822 1.00 61.35 N ATOM 109 HA LYS A 8 14.174 48.438 16.183 1.00 0.00 H ATOM 110 HB2 LYS A 8 15.833 48.937 14.223 1.00 0.00 H ATOM 111 HB3 LYS A 8 14.745 50.305 13.894 1.00 0.00 H ATOM 112 HG2 LYS A 8 15.092 51.111 16.163 1.00 0.00 H ATOM 113 HG3 LYS A 8 16.205 49.756 16.464 1.00 0.00 H ATOM 114 HD2 LYS A 8 17.717 50.584 14.714 1.00 0.00 H ATOM 115 HD3 LYS A 8 16.591 51.912 14.349 1.00 0.00 H ATOM 116 HE2 LYS A 8 18.124 51.414 16.923 1.00 0.00 H ATOM 117 HE3 LYS A 8 16.779 52.573 16.806 1.00 0.00 H ATOM 118 HZ1 LYS A 8 19.337 52.721 15.309 1.00 0.00 H ATOM 119 HZ2 LYS A 8 18.052 53.827 15.197 1.00 0.00 H ATOM 120 HZ3 LYS A 8 18.905 53.661 16.657 1.00 0.00 H ATOM 121 H LYS A 8 14.093 47.741 13.316 1.00 0.00 H ATOM 122 N ASN A 9 11.967 49.823 14.159 1.00 22.07 N ATOM 123 CA ASN A 9 10.749 50.637 14.061 1.00 25.14 C ATOM 124 C ASN A 9 9.606 49.990 13.294 1.00 24.49 C ATOM 125 O ASN A 9 9.819 49.291 12.307 1.00 26.05 O ATOM 126 CB ASN A 9 11.053 51.945 13.350 1.00 26.24 C ATOM 127 CG ASN A 9 11.920 52.847 14.157 1.00 31.30 C ATOM 128 OD1 ASN A 9 11.456 53.457 15.130 1.00 26.73 O ATOM 129 ND2 ASN A 9 13.200 52.940 13.774 1.00 27.09 N ATOM 130 HA ASN A 9 10.431 50.773 15.095 1.00 0.00 H ATOM 131 HB2 ASN A 9 11.559 51.723 12.410 1.00 0.00 H ATOM 132 HB3 ASN A 9 10.113 52.457 13.143 1.00 0.00 H ATOM 133 HD22 ASN A 9 13.536 52.405 12.948 1.00 0.00 H ATOM 134 HD21 ASN A 9 13.858 53.548 14.303 1.00 0.00 H ATOM 135 H ASN A 9 12.299 49.326 13.308 1.00 0.00 H ATOM 136 N VAL A 10 8.390 50.252 13.742 1.00 23.53 N ATOM 137 CA VAL A 10 7.219 49.736 13.061 1.00 21.65 C ATOM 138 C VAL A 10 6.118 50.778 13.230 1.00 25.93 C ATOM 139 O VAL A 10 5.971 51.339 14.317 1.00 25.15 O ATOM 140 CB VAL A 10 6.786 48.388 13.656 1.00 20.34 C ATOM 141 CG1 VAL A 10 5.371 48.038 13.183 1.00 20.49 C ATOM 142 CG2 VAL A 10 7.777 47.318 13.242 1.00 10.96 C ATOM 143 HA VAL A 10 7.432 49.560 12.007 1.00 0.00 H ATOM 144 HB VAL A 10 6.772 48.451 14.744 1.00 0.00 H ATOM 145 HG11 VAL A 10 4.678 48.814 13.508 1.00 0.00 H ATOM 146 HG12 VAL A 10 5.359 47.971 12.095 1.00 0.00 H ATOM 147 HG13 VAL A 10 5.073 47.081 13.610 1.00 0.00 H ATOM 148 HG21 VAL A 10 7.801 47.248 12.155 1.00 0.00 H ATOM 149 HG22 VAL A 10 8.768 47.580 13.612 1.00 0.00 H ATOM 150 HG23 VAL A 10 7.472 46.360 13.663 1.00 0.00 H ATOM 151 H VAL A 10 8.272 50.836 14.594 1.00 0.00 H ATOM 152 N GLN A 11 5.377 51.066 12.155 1.00 26.71 N ATOM 153 CA GLN A 11 4.295 52.052 12.207 1.00 23.49 C ATOM 154 C GLN A 11 2.947 51.433 11.926 1.00 22.53 C ATOM 155 O GLN A 11 2.859 50.443 11.217 1.00 18.52 O ATOM 156 CB GLN A 11 4.555 53.190 11.228 1.00 31.99 C ATOM 157 CG GLN A 11 5.576 54.180 11.774 1.00 49.98 C ATOM 158 CD GLN A 11 5.427 55.566 11.187 1.00 57.42 C ATOM 159 OE1 GLN A 11 6.091 55.914 10.203 1.00 58.61 O ATOM 160 NE2 GLN A 11 4.538 56.369 11.785 1.00 57.99 N ATOM 161 HA GLN A 11 4.276 52.447 13.223 1.00 0.00 H ATOM 162 HB2 GLN A 11 4.931 52.774 10.293 1.00 0.00 H ATOM 163 HB3 GLN A 11 3.619 53.715 11.040 1.00 0.00 H ATOM 164 HG2 GLN A 11 5.453 54.245 12.855 1.00 0.00 H ATOM 165 HG3 GLN A 11 6.576 53.811 11.545 1.00 0.00 H ATOM 166 HE22 GLN A 11 4.004 56.030 12.610 1.00 0.00 H ATOM 167 HE21 GLN A 11 4.382 57.332 11.424 1.00 0.00 H ATOM 168 H GLN A 11 5.574 50.577 11.258 1.00 0.00 H ATOM 169 N GLY A 12 1.905 52.026 12.504 1.00 22.99 N ATOM 170 CA GLY A 12 0.557 51.528 12.333 1.00 21.85 C ATOM 171 C GLY A 12 -0.484 52.628 12.429 1.00 22.81 C ATOM 172 O GLY A 12 -0.190 53.721 12.885 1.00 21.73 O ATOM 173 HA3 GLY A 12 0.356 50.788 13.107 1.00 0.00 H ATOM 174 HA2 GLY A 12 0.479 51.057 11.353 1.00 0.00 H ATOM 175 H GLY A 12 2.063 52.868 13.093 1.00 0.00 H ATOM 176 N LEU A 13 -1.707 52.342 12.001 1.00 21.43 N ATOM 177 CA LEU A 13 -2.766 53.342 12.037 1.00 22.13 C ATOM 178 C LEU A 13 -3.813 52.941 13.051 1.00 17.27 C ATOM 179 O LEU A 13 -4.077 51.754 13.254 1.00 19.35 O ATOM 180 CB LEU A 13 -3.400 53.493 10.641 1.00 28.83 C ATOM 181 CG LEU A 13 -2.362 53.637 9.521 1.00 40.38 C ATOM 182 CD1 LEU A 13 -3.053 53.909 8.188 1.00 41.80 C ATOM 183 CD2 LEU A 13 -1.370 54.756 9.874 1.00 40.73 C ATOM 184 HA LEU A 13 -2.342 54.302 12.330 1.00 0.00 H ATOM 185 HB2 LEU A 13 -4.009 52.612 10.439 1.00 0.00 H ATOM 186 HB3 LEU A 13 -4.035 54.379 10.642 1.00 0.00 H ATOM 187 HG LEU A 13 -1.807 52.704 9.422 1.00 0.00 H ATOM 188 HD21 LEU A 13 -1.910 55.696 9.989 1.00 0.00 H ATOM 189 HD22 LEU A 13 -0.863 54.510 10.807 1.00 0.00 H ATOM 190 HD23 LEU A 13 -0.635 54.854 9.075 1.00 0.00 H ATOM 191 HD11 LEU A 13 -3.720 53.081 7.950 1.00 0.00 H ATOM 192 HD12 LEU A 13 -3.629 54.832 8.260 1.00 0.00 H ATOM 193 HD13 LEU A 13 -2.302 54.008 7.404 1.00 0.00 H ATOM 194 H LEU A 13 -1.913 51.391 11.635 1.00 0.00 H ATOM 195 N SER A 14 -4.404 53.935 13.696 1.00 22.88 N ATOM 196 CA SER A 14 -5.410 53.692 14.724 1.00 20.44 C ATOM 197 C SER A 14 -6.617 52.918 14.173 1.00 20.28 C ATOM 198 O SER A 14 -7.132 53.242 13.105 1.00 19.15 O ATOM 199 CB SER A 14 -5.836 55.034 15.313 1.00 24.08 C ATOM 200 OG SER A 14 -6.742 54.863 16.385 1.00 33.34 O ATOM 201 HA SER A 14 -4.977 53.067 15.505 1.00 0.00 H ATOM 202 HB2 SER A 14 -6.315 55.627 14.534 1.00 0.00 H ATOM 203 HB3 SER A 14 -4.952 55.559 15.676 1.00 0.00 H ATOM 204 HG SER A 14 -6.998 55.749 16.744 1.00 0.00 H ATOM 205 H SER A 14 -4.144 54.915 13.464 1.00 0.00 H ATOM 206 N GLY A 15 -7.059 51.896 14.906 1.00 25.17 N ATOM 207 CA GLY A 15 -8.190 51.081 14.476 1.00 20.17 C ATOM 208 C GLY A 15 -7.782 49.947 13.534 1.00 22.77 C ATOM 209 O GLY A 15 -8.592 49.102 13.163 1.00 19.79 O ATOM 210 HA3 GLY A 15 -8.905 51.722 13.960 1.00 0.00 H ATOM 211 HA2 GLY A 15 -8.662 50.648 15.358 1.00 0.00 H ATOM 212 H GLY A 15 -6.586 51.674 15.806 1.00 0.00 H ATOM 213 N SER A 16 -6.519 49.915 13.127 1.00 21.64 N ATOM 214 CA SER A 16 -6.057 48.852 12.237 1.00 19.59 C ATOM 215 C SER A 16 -5.249 47.816 13.048 1.00 21.92 C ATOM 216 O SER A 16 -5.468 47.655 14.269 1.00 18.09 O ATOM 217 CB SER A 16 -5.216 49.455 11.101 1.00 17.72 C ATOM 218 OG SER A 16 -4.814 48.465 10.163 1.00 25.61 O ATOM 219 HA SER A 16 -6.911 48.344 11.790 1.00 0.00 H ATOM 220 HB2 SER A 16 -4.327 49.920 11.527 1.00 0.00 H ATOM 221 HB3 SER A 16 -5.808 50.211 10.585 1.00 0.00 H ATOM 222 HG SER A 16 -4.276 48.889 9.448 1.00 0.00 H ATOM 223 H SER A 16 -5.855 50.650 13.443 1.00 0.00 H ATOM 224 N CYS A 17 -4.346 47.097 12.379 1.00 16.85 N ATOM 225 CA CYS A 17 -3.510 46.098 13.052 1.00 18.90 C ATOM 226 C CYS A 17 -2.071 46.287 12.605 1.00 18.19 C ATOM 227 O CYS A 17 -1.785 47.022 11.647 1.00 16.33 O ATOM 228 CB CYS A 17 -3.931 44.649 12.714 1.00 11.95 C ATOM 229 SG CYS A 17 -3.601 44.149 10.979 1.00 19.24 S ATOM 230 HA CYS A 17 -3.626 46.243 14.126 1.00 0.00 H ATOM 231 HB2 CYS A 17 -5.001 44.552 12.899 1.00 0.00 H ATOM 232 HB3 CYS A 17 -3.387 43.973 13.373 1.00 0.00 H ATOM 233 HG CYS A 17 -4.014 42.846 10.791 1.00 0.00 H ATOM 234 H CYS A 17 -4.232 47.249 11.356 1.00 0.00 H ATOM 235 N LEU A 18 -1.158 45.601 13.279 1.00 18.33 N ATOM 236 CA LEU A 18 0.233 45.723 12.904 1.00 19.48 C ATOM 237 C LEU A 18 0.994 44.472 13.285 1.00 21.21 C ATOM 238 O LEU A 18 0.600 43.736 14.192 1.00 20.80 O ATOM 239 CB LEU A 18 0.810 46.994 13.530 1.00 21.78 C ATOM 240 CG LEU A 18 2.080 47.093 14.354 1.00 30.28 C ATOM 241 CD1 LEU A 18 2.098 48.502 14.933 1.00 25.91 C ATOM 242 CD2 LEU A 18 2.104 46.080 15.484 1.00 26.36 C ATOM 243 HA LEU A 18 0.329 45.817 11.822 1.00 0.00 H ATOM 244 HB2 LEU A 18 0.958 47.680 12.696 1.00 0.00 H ATOM 245 HB3 LEU A 18 0.021 47.376 14.177 1.00 0.00 H ATOM 246 HG LEU A 18 2.949 46.887 13.730 1.00 0.00 H ATOM 247 HD21 LEU A 18 1.254 46.254 16.144 1.00 0.00 H ATOM 248 HD22 LEU A 18 2.044 45.074 15.069 1.00 0.00 H ATOM 249 HD23 LEU A 18 3.031 46.187 16.047 1.00 0.00 H ATOM 250 HD11 LEU A 18 2.099 49.228 14.120 1.00 0.00 H ATOM 251 HD12 LEU A 18 1.214 48.650 15.553 1.00 0.00 H ATOM 252 HD13 LEU A 18 2.994 48.633 15.539 1.00 0.00 H ATOM 253 H LEU A 18 -1.439 44.983 14.067 1.00 0.00 H ATOM 254 N LEU A 19 2.072 44.219 12.554 1.00 25.69 N ATOM 255 CA LEU A 19 2.893 43.044 12.772 1.00 25.37 C ATOM 256 C LEU A 19 4.337 43.424 13.054 1.00 27.09 C ATOM 257 O LEU A 19 4.960 44.169 12.286 1.00 28.29 O ATOM 258 CB LEU A 19 2.841 42.147 11.535 1.00 22.62 C ATOM 259 CG LEU A 19 3.342 40.707 11.636 1.00 29.55 C ATOM 260 CD1 LEU A 19 4.796 40.683 12.050 1.00 33.60 C ATOM 261 CD2 LEU A 19 2.487 39.944 12.629 1.00 31.84 C ATOM 262 HA LEU A 19 2.501 42.513 13.639 1.00 0.00 H ATOM 263 HB2 LEU A 19 1.799 42.100 11.219 1.00 0.00 H ATOM 264 HB3 LEU A 19 3.432 42.637 10.761 1.00 0.00 H ATOM 265 HG LEU A 19 3.263 40.228 10.660 1.00 0.00 H ATOM 266 HD21 LEU A 19 2.553 40.422 13.606 1.00 0.00 H ATOM 267 HD22 LEU A 19 1.451 39.946 12.291 1.00 0.00 H ATOM 268 HD23 LEU A 19 2.845 38.917 12.701 1.00 0.00 H ATOM 269 HD11 LEU A 19 5.392 41.216 11.309 1.00 0.00 H ATOM 270 HD12 LEU A 19 4.904 41.166 13.021 1.00 0.00 H ATOM 271 HD13 LEU A 19 5.136 39.650 12.117 1.00 0.00 H ATOM 272 H LEU A 19 2.337 44.885 11.800 1.00 0.00 H ATOM 273 N ILE A 20 4.861 42.938 14.173 1.00 24.61 N ATOM 274 CA ILE A 20 6.251 43.179 14.490 1.00 22.01 C ATOM 275 C ILE A 20 6.961 41.867 14.200 1.00 26.39 C ATOM 276 O ILE A 20 6.864 40.913 14.978 1.00 29.08 O ATOM 277 CB ILE A 20 6.483 43.484 15.966 1.00 28.38 C ATOM 278 CG1 ILE A 20 5.621 44.652 16.398 1.00 19.22 C ATOM 279 CG2 ILE A 20 7.972 43.779 16.214 1.00 19.34 C ATOM 280 CD1 ILE A 20 5.760 44.931 17.894 1.00 38.41 C ATOM 281 HA ILE A 20 6.604 44.035 13.915 1.00 0.00 H ATOM 282 HB ILE A 20 6.202 42.615 16.560 1.00 0.00 H ATOM 283 HG12 ILE A 20 5.924 45.540 15.843 1.00 0.00 H ATOM 284 HG13 ILE A 20 4.579 44.424 16.176 1.00 0.00 H ATOM 285 HD11 ILE A 20 5.453 44.049 18.457 1.00 0.00 H ATOM 286 HD12 ILE A 20 6.799 45.166 18.123 1.00 0.00 H ATOM 287 HD13 ILE A 20 5.127 45.776 18.165 1.00 0.00 H ATOM 288 HG21 ILE A 20 8.566 42.910 15.929 1.00 0.00 H ATOM 289 HG22 ILE A 20 8.275 44.639 15.617 1.00 0.00 H ATOM 290 HG23 ILE A 20 8.127 43.996 17.271 1.00 0.00 H ATOM 291 H ILE A 20 4.270 42.382 14.824 1.00 0.00 H ATOM 292 N PRO A 21 7.642 41.778 13.053 1.00 27.11 N ATOM 293 CA PRO A 21 8.364 40.541 12.719 1.00 27.13 C ATOM 294 C PRO A 21 9.420 40.262 13.803 1.00 26.81 C ATOM 295 O PRO A 21 10.012 41.190 14.356 1.00 27.50 O ATOM 296 CB PRO A 21 8.977 40.855 11.359 1.00 29.85 C ATOM 297 CG PRO A 21 9.037 42.373 11.339 1.00 20.60 C ATOM 298 CD PRO A 21 7.770 42.785 11.986 1.00 23.68 C ATOM 299 HA PRO A 21 7.745 39.644 12.678 1.00 0.00 H ATOM 300 HD3 PRO A 21 7.841 43.793 12.396 1.00 0.00 H ATOM 301 HD2 PRO A 21 6.933 42.736 11.290 1.00 0.00 H ATOM 302 HG3 PRO A 21 9.091 42.746 10.316 1.00 0.00 H ATOM 303 HG2 PRO A 21 9.897 42.735 11.902 1.00 0.00 H ATOM 304 HB2 PRO A 21 9.974 40.424 11.272 1.00 0.00 H ATOM 305 HB3 PRO A 21 8.348 40.479 10.552 1.00 0.00 H ATOM 306 N CYS A 22 9.655 38.988 14.097 1.00 28.37 N ATOM 307 CA CYS A 22 10.585 38.621 15.152 1.00 26.69 C ATOM 308 C CYS A 22 11.085 37.189 15.060 1.00 25.26 C ATOM 309 O CYS A 22 10.330 36.263 14.777 1.00 26.95 O ATOM 310 CB CYS A 22 9.890 38.832 16.500 1.00 28.36 C ATOM 311 SG CYS A 22 10.851 38.488 18.017 1.00 24.33 S ATOM 312 HA CYS A 22 11.464 39.256 15.044 1.00 0.00 H ATOM 313 HB2 CYS A 22 9.012 38.187 16.518 1.00 0.00 H ATOM 314 HB3 CYS A 22 9.575 39.874 16.544 1.00 0.00 H ATOM 315 H CYS A 22 9.166 38.241 13.564 1.00 0.00 H ATOM 316 N ILE A 23 12.374 37.027 15.328 1.00 25.94 N ATOM 317 CA ILE A 23 13.045 35.730 15.321 1.00 26.20 C ATOM 318 C ILE A 23 14.095 35.692 16.450 1.00 27.52 C ATOM 319 O ILE A 23 14.662 36.720 16.817 1.00 26.35 O ATOM 320 CB ILE A 23 13.744 35.504 13.963 1.00 30.01 C ATOM 321 CG1 ILE A 23 12.809 34.727 13.043 1.00 17.51 C ATOM 322 CG2 ILE A 23 15.084 34.804 14.158 1.00 29.64 C ATOM 323 CD1 ILE A 23 13.358 34.493 11.653 1.00 36.87 C ATOM 324 HA ILE A 23 12.306 34.944 15.477 1.00 0.00 H ATOM 325 HB ILE A 23 13.962 36.463 13.492 1.00 0.00 H ATOM 326 HG12 ILE A 23 12.608 33.758 13.499 1.00 0.00 H ATOM 327 HG13 ILE A 23 11.877 35.285 12.953 1.00 0.00 H ATOM 328 HD11 ILE A 23 13.553 35.453 11.174 1.00 0.00 H ATOM 329 HD12 ILE A 23 14.285 33.924 11.721 1.00 0.00 H ATOM 330 HD13 ILE A 23 12.630 33.934 11.065 1.00 0.00 H ATOM 331 HG21 ILE A 23 15.726 35.420 14.788 1.00 0.00 H ATOM 332 HG22 ILE A 23 14.922 33.838 14.637 1.00 0.00 H ATOM 333 HG23 ILE A 23 15.559 34.655 13.188 1.00 0.00 H ATOM 334 H ILE A 23 12.938 37.871 15.556 1.00 0.00 H ATOM 335 N PHE A 24 14.349 34.522 17.018 1.00 24.89 N ATOM 336 CA PHE A 24 15.350 34.454 18.076 1.00 30.25 C ATOM 337 C PHE A 24 16.263 33.252 17.887 1.00 27.66 C ATOM 338 O PHE A 24 16.005 32.391 17.050 1.00 31.96 O ATOM 339 CB PHE A 24 14.689 34.394 19.464 1.00 27.25 C ATOM 340 CG PHE A 24 13.757 33.224 19.646 1.00 27.10 C ATOM 341 CD1 PHE A 24 12.469 33.258 19.127 1.00 26.48 C ATOM 342 CD2 PHE A 24 14.170 32.094 20.355 1.00 28.05 C ATOM 343 CE1 PHE A 24 11.592 32.181 19.311 1.00 29.55 C ATOM 344 CE2 PHE A 24 13.314 31.011 20.547 1.00 28.54 C ATOM 345 CZ PHE A 24 12.021 31.050 20.027 1.00 31.75 C ATOM 346 HA PHE A 24 15.949 35.363 18.015 1.00 0.00 H ATOM 347 HB2 PHE A 24 15.475 34.327 20.216 1.00 0.00 H ATOM 348 HB3 PHE A 24 14.121 35.312 19.614 1.00 0.00 H ATOM 349 HD2 PHE A 24 15.179 32.058 20.765 1.00 0.00 H ATOM 350 HE2 PHE A 24 13.654 30.137 21.102 1.00 0.00 H ATOM 351 HZ PHE A 24 11.346 30.207 20.175 1.00 0.00 H ATOM 352 HE1 PHE A 24 10.583 32.220 18.901 1.00 0.00 H ATOM 353 HD1 PHE A 24 12.136 34.134 18.570 1.00 0.00 H ATOM 354 H PHE A 24 13.843 33.666 16.714 1.00 0.00 H ATOM 355 N SER A 25 17.328 33.194 18.678 1.00 30.76 N ATOM 356 CA SER A 25 18.280 32.103 18.576 1.00 29.97 C ATOM 357 C SER A 25 18.983 31.875 19.905 1.00 29.31 C ATOM 358 O SER A 25 18.925 32.720 20.800 1.00 25.75 O ATOM 359 CB SER A 25 19.323 32.415 17.488 1.00 30.64 C ATOM 360 OG SER A 25 20.035 33.608 17.781 1.00 32.60 O ATOM 361 HA SER A 25 17.735 31.198 18.309 1.00 0.00 H ATOM 362 HB2 SER A 25 18.814 32.531 16.531 1.00 0.00 H ATOM 363 HB3 SER A 25 20.029 31.587 17.425 1.00 0.00 H ATOM 364 HG SER A 25 20.504 33.507 18.647 1.00 0.00 H ATOM 365 H SER A 25 17.483 33.943 19.383 1.00 0.00 H ATOM 366 N TYR A 26 19.643 30.723 20.005 1.00 27.88 N ATOM 367 CA TYR A 26 20.403 30.312 21.173 1.00 29.35 C ATOM 368 C TYR A 26 21.289 29.132 20.764 1.00 31.67 C ATOM 369 O TYR A 26 21.049 28.487 19.748 1.00 34.18 O ATOM 370 CB TYR A 26 19.471 29.904 22.319 1.00 21.98 C ATOM 371 CG TYR A 26 18.437 28.874 21.940 1.00 29.11 C ATOM 372 CD1 TYR A 26 17.180 29.266 21.473 1.00 26.75 C ATOM 373 CD2 TYR A 26 18.719 27.509 22.023 1.00 19.37 C ATOM 374 CE1 TYR A 26 16.231 28.334 21.099 1.00 34.85 C ATOM 375 CE2 TYR A 26 17.773 26.559 21.648 1.00 34.19 C ATOM 376 CZ TYR A 26 16.527 26.982 21.186 1.00 36.05 C ATOM 377 OH TYR A 26 15.564 26.068 20.818 1.00 44.67 O ATOM 378 HA TYR A 26 21.012 31.143 21.529 1.00 0.00 H ATOM 379 HB3 TYR A 26 18.952 30.795 22.672 1.00 0.00 H ATOM 380 HB2 TYR A 26 20.080 29.496 23.126 1.00 0.00 H ATOM 381 HD2 TYR A 26 19.693 27.183 22.386 1.00 0.00 H ATOM 382 HE2 TYR A 26 18.004 25.496 21.715 1.00 0.00 H ATOM 383 HE1 TYR A 26 15.255 28.660 20.738 1.00 0.00 H ATOM 384 HD1 TYR A 26 16.943 30.328 21.402 1.00 0.00 H ATOM 385 HH TYR A 26 14.752 26.549 20.519 1.00 0.00 H ATOM 386 H TYR A 26 19.612 30.074 19.193 1.00 0.00 H ATOM 387 N PRO A 27 22.322 28.831 21.559 1.00 33.65 N ATOM 388 CA PRO A 27 23.257 27.732 21.292 1.00 30.81 C ATOM 389 C PRO A 27 22.646 26.349 21.105 1.00 31.35 C ATOM 390 O PRO A 27 21.657 25.980 21.750 1.00 29.38 O ATOM 391 CB PRO A 27 24.195 27.786 22.497 1.00 27.96 C ATOM 392 CG PRO A 27 24.245 29.244 22.797 1.00 28.75 C ATOM 393 CD PRO A 27 22.767 29.609 22.726 1.00 33.70 C ATOM 394 HA PRO A 27 23.741 27.873 20.325 1.00 0.00 H ATOM 395 HD3 PRO A 27 22.239 29.306 23.630 1.00 0.00 H ATOM 396 HD2 PRO A 27 22.629 30.678 22.567 1.00 0.00 H ATOM 397 HG3 PRO A 27 24.827 29.786 22.052 1.00 0.00 H ATOM 398 HG2 PRO A 27 24.657 29.435 23.788 1.00 0.00 H ATOM 399 HB2 PRO A 27 23.790 27.223 23.338 1.00 0.00 H ATOM 400 HB3 PRO A 27 25.183 27.400 22.246 1.00 0.00 H ATOM 401 N ALA A 28 23.281 25.576 20.231 1.00 31.94 N ATOM 402 CA ALA A 28 22.838 24.229 19.916 1.00 30.98 C ATOM 403 C ALA A 28 22.875 23.265 21.106 1.00 30.16 C ATOM 404 O ALA A 28 22.050 22.346 21.185 1.00 23.17 O ATOM 405 CB ALA A 28 23.676 23.679 18.763 1.00 38.48 C ATOM 406 HA ALA A 28 21.789 24.303 19.630 1.00 0.00 H ATOM 407 HB1 ALA A 28 23.553 24.318 17.889 1.00 0.00 H ATOM 408 HB2 ALA A 28 24.726 23.660 19.056 1.00 0.00 H ATOM 409 HB3 ALA A 28 23.345 22.668 18.525 1.00 0.00 H ATOM 410 H ALA A 28 24.127 25.949 19.755 1.00 0.00 H ATOM 411 N ASP A 29 23.812 23.479 22.035 1.00 31.94 N ATOM 412 CA ASP A 29 23.928 22.603 23.210 1.00 36.31 C ATOM 413 C ASP A 29 23.007 22.945 24.375 1.00 36.30 C ATOM 414 O ASP A 29 23.104 22.345 25.443 1.00 38.17 O ATOM 415 CB ASP A 29 25.394 22.508 23.684 1.00 39.27 C ATOM 416 CG ASP A 29 25.963 23.831 24.153 1.00 47.58 C ATOM 417 OD1 ASP A 29 25.583 24.891 23.606 1.00 55.27 O ATOM 418 OD2 ASP A 29 26.819 23.804 25.069 1.00 53.08 O ATOM 419 HA ASP A 29 23.586 21.629 22.860 1.00 0.00 H ATOM 420 HB2 ASP A 29 25.445 21.798 24.509 1.00 0.00 H ATOM 421 HB3 ASP A 29 26.002 22.145 22.856 1.00 0.00 H ATOM 422 H ASP A 29 24.469 24.278 21.925 1.00 0.00 H ATOM 423 N VAL A 30 22.101 23.896 24.164 1.00 36.99 N ATOM 424 CA VAL A 30 21.136 24.269 25.203 1.00 38.38 C ATOM 425 C VAL A 30 19.975 23.266 25.194 1.00 39.12 C ATOM 426 O VAL A 30 19.230 23.159 24.213 1.00 37.77 O ATOM 427 CB VAL A 30 20.550 25.698 24.970 1.00 37.10 C ATOM 428 CG1 VAL A 30 19.370 25.931 25.893 1.00 28.39 C ATOM 429 CG2 VAL A 30 21.614 26.762 25.218 1.00 34.69 C ATOM 430 HA VAL A 30 21.660 24.262 26.159 1.00 0.00 H ATOM 431 HB VAL A 30 20.219 25.769 23.934 1.00 0.00 H ATOM 432 HG11 VAL A 30 18.599 25.189 25.689 1.00 0.00 H ATOM 433 HG12 VAL A 30 19.697 25.841 26.929 1.00 0.00 H ATOM 434 HG13 VAL A 30 18.969 26.930 25.723 1.00 0.00 H ATOM 435 HG21 VAL A 30 21.967 26.688 26.247 1.00 0.00 H ATOM 436 HG22 VAL A 30 22.448 26.606 24.534 1.00 0.00 H ATOM 437 HG23 VAL A 30 21.184 27.750 25.050 1.00 0.00 H ATOM 438 H VAL A 30 22.077 24.384 23.246 1.00 0.00 H ATOM 439 N PRO A 31 19.796 22.526 26.293 1.00 38.88 N ATOM 440 CA PRO A 31 18.709 21.546 26.355 1.00 41.70 C ATOM 441 C PRO A 31 17.332 22.204 26.369 1.00 43.81 C ATOM 442 O PRO A 31 17.150 23.282 26.929 1.00 49.72 O ATOM 443 CB PRO A 31 19.003 20.802 27.655 1.00 40.41 C ATOM 444 CG PRO A 31 19.552 21.895 28.531 1.00 36.72 C ATOM 445 CD PRO A 31 20.496 22.620 27.588 1.00 37.40 C ATOM 446 HA PRO A 31 18.674 20.893 25.483 1.00 0.00 H ATOM 447 HD3 PRO A 31 20.630 23.659 27.888 1.00 0.00 H ATOM 448 HD2 PRO A 31 21.467 22.126 27.547 1.00 0.00 H ATOM 449 HG3 PRO A 31 20.087 21.484 29.387 1.00 0.00 H ATOM 450 HG2 PRO A 31 18.759 22.556 28.882 1.00 0.00 H ATOM 451 HB2 PRO A 31 18.095 20.374 28.079 1.00 0.00 H ATOM 452 HB3 PRO A 31 19.738 20.012 27.501 1.00 0.00 H ATOM 453 N VAL A 32 16.361 21.552 25.743 1.00 48.61 N ATOM 454 CA VAL A 32 14.998 22.072 25.709 1.00 47.41 C ATOM 455 C VAL A 32 14.045 20.897 25.859 1.00 51.46 C ATOM 456 O VAL A 32 13.648 20.292 24.868 1.00 51.28 O ATOM 457 CB VAL A 32 14.698 22.770 24.380 1.00 46.53 C ATOM 458 CG1 VAL A 32 13.364 23.459 24.467 1.00 40.92 C ATOM 459 CG2 VAL A 32 15.808 23.745 24.039 1.00 35.84 C ATOM 460 HA VAL A 32 14.878 22.798 26.513 1.00 0.00 H ATOM 461 HB VAL A 32 14.651 22.033 23.579 1.00 0.00 H ATOM 462 HG11 VAL A 32 12.589 22.722 24.675 1.00 0.00 H ATOM 463 HG12 VAL A 32 13.389 24.197 25.269 1.00 0.00 H ATOM 464 HG13 VAL A 32 13.151 23.956 23.521 1.00 0.00 H ATOM 465 HG21 VAL A 32 15.886 24.494 24.827 1.00 0.00 H ATOM 466 HG22 VAL A 32 16.751 23.205 23.954 1.00 0.00 H ATOM 467 HG23 VAL A 32 15.582 24.234 23.092 1.00 0.00 H ATOM 468 H VAL A 32 16.575 20.652 25.267 1.00 0.00 H ATOM 469 N SER A 33 13.683 20.574 27.096 1.00 54.02 N ATOM 470 CA SER A 33 12.798 19.442 27.348 1.00 58.53 C ATOM 471 C SER A 33 11.332 19.810 27.269 1.00 58.15 C ATOM 472 O SER A 33 10.565 19.175 26.546 1.00 58.61 O ATOM 473 CB SER A 33 13.085 18.821 28.723 1.00 61.58 C ATOM 474 OG SER A 33 12.775 19.722 29.776 1.00 68.58 O ATOM 475 HA SER A 33 13.004 18.719 26.559 1.00 0.00 H ATOM 476 HB2 SER A 33 14.142 18.559 28.780 1.00 0.00 H ATOM 477 HB3 SER A 33 12.482 17.920 28.838 1.00 0.00 H ATOM 478 HG SER A 33 12.971 19.291 30.646 1.00 0.00 H ATOM 479 H SER A 33 14.036 21.137 27.896 1.00 0.00 H ATOM 480 N ASN A 34 10.936 20.832 28.018 1.00 59.73 N ATOM 481 CA ASN A 34 9.541 21.242 28.005 1.00 62.74 C ATOM 482 C ASN A 34 9.262 22.598 27.369 1.00 60.64 C ATOM 483 O ASN A 34 8.857 23.546 28.045 1.00 63.54 O ATOM 484 CB ASN A 34 8.956 21.195 29.424 1.00 65.03 C ATOM 485 CG ASN A 34 8.507 19.795 29.822 1.00 68.36 C ATOM 486 OD1 ASN A 34 9.324 18.871 29.923 1.00 71.91 O ATOM 487 ND2 ASN A 34 7.202 19.628 30.039 1.00 66.92 N ATOM 488 HA ASN A 34 9.045 20.518 27.358 1.00 0.00 H ATOM 489 HB2 ASN A 34 9.717 21.532 30.128 1.00 0.00 H ATOM 490 HB3 ASN A 34 8.097 21.865 29.471 1.00 0.00 H ATOM 491 HD22 ASN A 34 6.552 20.434 29.942 1.00 0.00 H ATOM 492 HD21 ASN A 34 6.835 18.692 30.305 1.00 0.00 H ATOM 493 H ASN A 34 11.622 21.339 28.613 1.00 0.00 H ATOM 494 N GLY A 35 9.480 22.682 26.062 1.00 57.32 N ATOM 495 CA GLY A 35 9.205 23.912 25.346 1.00 53.37 C ATOM 496 C GLY A 35 9.866 25.200 25.819 1.00 51.28 C ATOM 497 O GLY A 35 10.799 25.193 26.637 1.00 51.23 O ATOM 498 HA3 GLY A 35 8.127 24.072 25.385 1.00 0.00 H ATOM 499 HA2 GLY A 35 9.511 23.756 24.311 1.00 0.00 H ATOM 500 H GLY A 35 9.851 21.858 25.547 1.00 0.00 H ATOM 501 N ILE A 36 9.353 26.310 25.289 1.00 42.67 N ATOM 502 CA ILE A 36 9.865 27.635 25.577 1.00 35.20 C ATOM 503 C ILE A 36 8.736 28.614 25.875 1.00 36.77 C ATOM 504 O ILE A 36 7.724 28.658 25.166 1.00 40.46 O ATOM 505 CB ILE A 36 10.653 28.168 24.380 1.00 31.48 C ATOM 506 CG1 ILE A 36 11.779 27.197 24.027 1.00 38.16 C ATOM 507 CG2 ILE A 36 11.219 29.537 24.686 1.00 29.80 C ATOM 508 CD1 ILE A 36 12.618 27.639 22.820 1.00 34.89 C ATOM 509 HA ILE A 36 10.509 27.549 26.452 1.00 0.00 H ATOM 510 HB ILE A 36 9.980 28.257 23.527 1.00 0.00 H ATOM 511 HG12 ILE A 36 12.438 27.106 24.890 1.00 0.00 H ATOM 512 HG13 ILE A 36 11.339 26.225 23.803 1.00 0.00 H ATOM 513 HD11 ILE A 36 11.975 27.724 21.944 1.00 0.00 H ATOM 514 HD12 ILE A 36 13.076 28.605 23.032 1.00 0.00 H ATOM 515 HD13 ILE A 36 13.397 26.900 22.630 1.00 0.00 H ATOM 516 HG21 ILE A 36 10.403 30.225 24.908 1.00 0.00 H ATOM 517 HG22 ILE A 36 11.884 29.470 25.547 1.00 0.00 H ATOM 518 HG23 ILE A 36 11.776 29.900 23.822 1.00 0.00 H ATOM 519 H ILE A 36 8.547 26.221 24.638 1.00 0.00 H ATOM 520 N THR A 37 8.914 29.400 26.927 1.00 31.32 N ATOM 521 CA THR A 37 7.927 30.391 27.309 1.00 27.88 C ATOM 522 C THR A 37 8.228 31.668 26.528 1.00 29.03 C ATOM 523 O THR A 37 9.394 32.073 26.420 1.00 30.18 O ATOM 524 CB THR A 37 8.011 30.666 28.793 1.00 22.26 C ATOM 525 OG1 THR A 37 7.954 29.422 29.488 1.00 26.45 O ATOM 526 CG2 THR A 37 6.851 31.538 29.244 1.00 24.97 C ATOM 527 HA THR A 37 6.923 30.031 27.087 1.00 0.00 H ATOM 528 HB THR A 37 8.944 31.188 29.008 1.00 0.00 H ATOM 529 HG1 THR A 37 8.008 29.587 30.463 1.00 0.00 H ATOM 530 HG23 THR A 37 6.888 32.491 28.717 1.00 0.00 H ATOM 531 HG21 THR A 37 5.911 31.034 29.020 1.00 0.00 H ATOM 532 HG22 THR A 37 6.925 31.712 30.317 1.00 0.00 H ATOM 533 H THR A 37 9.782 29.304 27.492 1.00 0.00 H ATOM 534 N ALA A 38 7.188 32.281 25.967 1.00 22.98 N ATOM 535 CA ALA A 38 7.350 33.504 25.186 1.00 21.29 C ATOM 536 C ALA A 38 6.715 34.684 25.910 1.00 22.11 C ATOM 537 O ALA A 38 5.589 34.587 26.419 1.00 22.72 O ATOM 538 CB ALA A 38 6.718 33.338 23.789 1.00 18.94 C ATOM 539 HA ALA A 38 8.416 33.698 25.067 1.00 0.00 H ATOM 540 HB1 ALA A 38 7.206 32.515 23.266 1.00 0.00 H ATOM 541 HB2 ALA A 38 5.655 33.123 23.896 1.00 0.00 H ATOM 542 HB3 ALA A 38 6.848 34.259 23.221 1.00 0.00 H ATOM 543 H ALA A 38 6.237 31.879 26.088 1.00 0.00 H ATOM 544 N ILE A 39 7.438 35.798 25.966 1.00 17.20 N ATOM 545 CA ILE A 39 6.913 36.983 26.638 1.00 17.48 C ATOM 546 C ILE A 39 7.257 38.288 25.914 1.00 18.27 C ATOM 547 O ILE A 39 8.407 38.511 25.517 1.00 20.66 O ATOM 548 CB ILE A 39 7.448 37.124 28.104 1.00 6.38 C ATOM 549 CG1 ILE A 39 7.212 35.841 28.902 1.00 12.81 C ATOM 550 CG2 ILE A 39 6.721 38.280 28.774 1.00 12.97 C ATOM 551 CD1 ILE A 39 8.154 35.671 30.145 1.00 12.29 C ATOM 552 HA ILE A 39 5.834 36.831 26.635 1.00 0.00 H ATOM 553 HB ILE A 39 8.522 37.310 28.075 1.00 0.00 H ATOM 554 HG12 ILE A 39 6.180 35.842 29.253 1.00 0.00 H ATOM 555 HG13 ILE A 39 7.367 34.992 28.237 1.00 0.00 H ATOM 556 HD11 ILE A 39 9.192 35.654 29.813 1.00 0.00 H ATOM 557 HD12 ILE A 39 8.004 36.505 30.830 1.00 0.00 H ATOM 558 HD13 ILE A 39 7.918 34.736 30.653 1.00 0.00 H ATOM 559 HG21 ILE A 39 6.911 39.198 28.218 1.00 0.00 H ATOM 560 HG22 ILE A 39 5.650 38.076 28.786 1.00 0.00 H ATOM 561 HG23 ILE A 39 7.083 38.391 29.796 1.00 0.00 H ATOM 562 H ILE A 39 8.381 35.826 25.529 1.00 0.00 H ATOM 563 N TRP A 40 6.250 39.141 25.754 1.00 19.58 N ATOM 564 CA TRP A 40 6.428 40.448 25.149 1.00 17.90 C ATOM 565 C TRP A 40 6.105 41.519 26.207 1.00 17.89 C ATOM 566 O TRP A 40 5.105 41.427 26.930 1.00 12.79 O ATOM 567 CB TRP A 40 5.492 40.638 23.945 1.00 20.53 C ATOM 568 CG TRP A 40 6.019 40.111 22.651 1.00 17.65 C ATOM 569 CD1 TRP A 40 5.690 38.918 22.037 1.00 16.11 C ATOM 570 CD2 TRP A 40 6.947 40.767 21.778 1.00 14.82 C ATOM 571 NE1 TRP A 40 6.352 38.806 20.839 1.00 16.00 N ATOM 572 CE2 TRP A 40 7.135 39.922 20.655 1.00 20.08 C ATOM 573 CE3 TRP A 40 7.634 41.992 21.830 1.00 16.61 C ATOM 574 CZ2 TRP A 40 7.986 40.264 19.594 1.00 16.73 C ATOM 575 CZ3 TRP A 40 8.478 42.334 20.770 1.00 18.25 C ATOM 576 CH2 TRP A 40 8.644 41.468 19.669 1.00 17.04 C ATOM 577 HA TRP A 40 7.456 40.537 24.799 1.00 0.00 H ATOM 578 HB2 TRP A 40 4.553 40.128 24.162 1.00 0.00 H ATOM 579 HB3 TRP A 40 5.305 41.705 23.826 1.00 0.00 H ATOM 580 HE1 TRP A 40 6.274 38.007 20.178 1.00 0.00 H ATOM 581 HD1 TRP A 40 5.005 38.174 22.444 1.00 0.00 H ATOM 582 HZ2 TRP A 40 8.121 39.599 18.741 1.00 0.00 H ATOM 583 HH2 TRP A 40 9.311 41.761 18.858 1.00 0.00 H ATOM 584 HZ3 TRP A 40 9.015 43.282 20.794 1.00 0.00 H ATOM 585 HE3 TRP A 40 7.511 42.662 22.681 1.00 0.00 H ATOM 586 H TRP A 40 5.301 38.862 26.074 1.00 0.00 H ATOM 587 N TYR A 41 6.949 42.541 26.279 1.00 15.11 N ATOM 588 CA TYR A 41 6.761 43.644 27.228 1.00 16.62 C ATOM 589 C TYR A 41 6.527 44.966 26.492 1.00 18.98 C ATOM 590 O TYR A 41 7.087 45.190 25.407 1.00 25.78 O ATOM 591 CB TYR A 41 8.013 43.836 28.097 1.00 12.67 C ATOM 592 CG TYR A 41 8.321 42.718 29.052 1.00 9.35 C ATOM 593 CD1 TYR A 41 7.615 42.587 30.245 1.00 15.70 C ATOM 594 CD2 TYR A 41 9.303 41.777 28.760 1.00 7.92 C ATOM 595 CE1 TYR A 41 7.877 41.550 31.128 1.00 12.94 C ATOM 596 CE2 TYR A 41 9.569 40.716 29.641 1.00 12.75 C ATOM 597 CZ TYR A 41 8.852 40.615 30.828 1.00 16.50 C ATOM 598 OH TYR A 41 9.123 39.608 31.744 1.00 21.65 O ATOM 599 HA TYR A 41 5.898 43.386 27.842 1.00 0.00 H ATOM 600 HB3 TYR A 41 7.880 44.747 28.680 1.00 0.00 H ATOM 601 HB2 TYR A 41 8.868 43.953 27.431 1.00 0.00 H ATOM 602 HD2 TYR A 41 9.874 41.864 27.835 1.00 0.00 H ATOM 603 HE2 TYR A 41 10.332 39.977 29.396 1.00 0.00 H ATOM 604 HE1 TYR A 41 7.315 41.472 32.058 1.00 0.00 H ATOM 605 HD1 TYR A 41 6.841 43.314 30.490 1.00 0.00 H ATOM 606 HH TYR A 41 8.516 39.698 32.521 1.00 0.00 H ATOM 607 H TYR A 41 7.771 42.560 25.642 1.00 0.00 H ATOM 608 N TYR A 42 5.729 45.836 27.114 1.00 18.89 N ATOM 609 CA TYR A 42 5.429 47.170 26.606 1.00 15.61 C ATOM 610 C TYR A 42 5.993 48.195 27.595 1.00 19.82 C ATOM 611 O TYR A 42 5.639 48.188 28.784 1.00 16.93 O ATOM 612 CB TYR A 42 3.936 47.389 26.500 1.00 20.02 C ATOM 613 CG TYR A 42 3.606 48.840 26.280 1.00 29.99 C ATOM 614 CD1 TYR A 42 3.821 49.438 25.034 1.00 21.85 C ATOM 615 CD2 TYR A 42 3.111 49.635 27.327 1.00 21.84 C ATOM 616 CE1 TYR A 42 3.552 50.792 24.827 1.00 22.57 C ATOM 617 CE2 TYR A 42 2.838 50.997 27.125 1.00 27.16 C ATOM 618 CZ TYR A 42 3.063 51.560 25.875 1.00 21.68 C ATOM 619 OH TYR A 42 2.835 52.884 25.662 1.00 17.15 O ATOM 620 HA TYR A 42 5.872 47.278 25.616 1.00 0.00 H ATOM 621 HB3 TYR A 42 3.462 47.054 27.423 1.00 0.00 H ATOM 622 HB2 TYR A 42 3.551 46.807 25.663 1.00 0.00 H ATOM 623 HD2 TYR A 42 2.937 49.190 28.307 1.00 0.00 H ATOM 624 HE2 TYR A 42 2.453 51.608 27.942 1.00 0.00 H ATOM 625 HE1 TYR A 42 3.725 51.243 23.850 1.00 0.00 H ATOM 626 HD1 TYR A 42 4.205 48.836 24.210 1.00 0.00 H ATOM 627 HH TYR A 42 3.048 53.107 24.721 1.00 0.00 H ATOM 628 H TYR A 42 5.296 45.546 28.014 1.00 0.00 H ATOM 629 N ASP A 43 6.855 49.082 27.105 1.00 20.34 N ATOM 630 CA ASP A 43 7.492 50.084 27.962 1.00 19.19 C ATOM 631 C ASP A 43 8.231 49.423 29.156 1.00 18.15 C ATOM 632 O ASP A 43 8.074 49.840 30.312 1.00 12.12 O ATOM 633 CB ASP A 43 6.442 51.081 28.486 1.00 16.40 C ATOM 634 CG ASP A 43 7.079 52.245 29.228 1.00 21.58 C ATOM 635 OD1 ASP A 43 8.232 52.602 28.895 1.00 25.18 O ATOM 636 OD2 ASP A 43 6.430 52.813 30.124 1.00 30.17 O ATOM 637 HA ASP A 43 8.228 50.616 27.359 1.00 0.00 H ATOM 638 HB2 ASP A 43 5.874 51.471 27.641 1.00 0.00 H ATOM 639 HB3 ASP A 43 5.768 50.558 29.164 1.00 0.00 H ATOM 640 H ASP A 43 7.082 49.063 26.090 1.00 0.00 H ATOM 641 N TYR A 44 9.044 48.408 28.868 1.00 16.83 N ATOM 642 CA TYR A 44 9.758 47.671 29.916 1.00 24.42 C ATOM 643 C TYR A 44 10.380 48.539 31.012 1.00 24.28 C ATOM 644 O TYR A 44 10.163 48.282 32.193 1.00 22.71 O ATOM 645 CB TYR A 44 10.856 46.781 29.304 1.00 22.14 C ATOM 646 CG TYR A 44 11.594 45.913 30.311 1.00 19.68 C ATOM 647 CD1 TYR A 44 11.065 44.687 30.723 1.00 9.39 C ATOM 648 CD2 TYR A 44 12.835 46.304 30.834 1.00 15.56 C ATOM 649 CE1 TYR A 44 11.744 43.860 31.631 1.00 11.89 C ATOM 650 CE2 TYR A 44 13.535 45.472 31.756 1.00 16.11 C ATOM 651 CZ TYR A 44 12.972 44.253 32.149 1.00 10.96 C ATOM 652 OH TYR A 44 13.595 43.452 33.076 1.00 10.39 O ATOM 653 HA TYR A 44 8.986 47.071 30.399 1.00 0.00 H ATOM 654 HB3 TYR A 44 11.584 47.426 28.812 1.00 0.00 H ATOM 655 HB2 TYR A 44 10.393 46.127 28.565 1.00 0.00 H ATOM 656 HD2 TYR A 44 13.270 47.257 30.532 1.00 0.00 H ATOM 657 HE2 TYR A 44 14.502 45.783 32.152 1.00 0.00 H ATOM 658 HE1 TYR A 44 11.307 42.907 31.931 1.00 0.00 H ATOM 659 HD1 TYR A 44 10.101 44.365 30.329 1.00 0.00 H ATOM 660 HH TYR A 44 13.052 42.638 33.226 1.00 0.00 H ATOM 661 H TYR A 44 9.176 48.131 27.874 1.00 0.00 H ATOM 662 N SER A 45 11.132 49.567 30.617 1.00 26.97 N ATOM 663 CA SER A 45 11.812 50.443 31.575 1.00 25.87 C ATOM 664 C SER A 45 10.911 51.430 32.305 1.00 21.52 C ATOM 665 O SER A 45 11.373 52.155 33.182 1.00 24.16 O ATOM 666 CB SER A 45 12.919 51.225 30.877 1.00 29.36 C ATOM 667 OG SER A 45 12.345 52.304 30.146 1.00 40.99 O ATOM 668 HA SER A 45 12.207 49.767 32.333 1.00 0.00 H ATOM 669 HB2 SER A 45 13.455 50.566 30.194 1.00 0.00 H ATOM 670 HB3 SER A 45 13.613 51.617 31.621 1.00 0.00 H ATOM 671 HG SER A 45 11.716 51.946 29.471 1.00 0.00 H ATOM 672 H SER A 45 11.239 49.752 29.599 1.00 0.00 H ATOM 673 N GLY A 46 9.636 51.464 31.938 1.00 22.06 N ATOM 674 CA GLY A 46 8.681 52.356 32.586 1.00 18.99 C ATOM 675 C GLY A 46 7.528 51.625 33.280 1.00 24.13 C ATOM 676 O GLY A 46 7.677 51.150 34.404 1.00 21.53 O ATOM 677 HA3 GLY A 46 8.262 53.020 31.830 1.00 0.00 H ATOM 678 HA2 GLY A 46 9.213 52.947 33.332 1.00 0.00 H ATOM 679 H GLY A 46 9.311 50.841 31.172 1.00 0.00 H ATOM 680 N LYS A 47 6.378 51.507 32.621 1.00 25.00 N ATOM 681 CA LYS A 47 5.232 50.833 33.237 1.00 27.06 C ATOM 682 C LYS A 47 5.406 49.319 33.309 1.00 22.94 C ATOM 683 O LYS A 47 4.812 48.663 34.164 1.00 17.37 O ATOM 684 CB LYS A 47 3.930 51.148 32.491 1.00 28.56 C ATOM 685 CG LYS A 47 3.550 52.631 32.409 1.00 39.33 C ATOM 686 CD LYS A 47 2.033 52.780 32.215 1.00 45.47 C ATOM 687 CE LYS A 47 1.644 54.091 31.541 1.00 52.16 C ATOM 688 NZ LYS A 47 1.976 54.107 30.078 1.00 57.39 N ATOM 689 HA LYS A 47 5.176 51.220 34.254 1.00 0.00 H ATOM 690 HB2 LYS A 47 4.028 50.771 31.473 1.00 0.00 H ATOM 691 HB3 LYS A 47 3.119 50.622 32.996 1.00 0.00 H ATOM 692 HG2 LYS A 47 3.846 53.130 33.331 1.00 0.00 H ATOM 693 HG3 LYS A 47 4.068 53.090 31.567 1.00 0.00 H ATOM 694 HD2 LYS A 47 1.679 51.954 31.599 1.00 0.00 H ATOM 695 HD3 LYS A 47 1.552 52.735 33.192 1.00 0.00 H ATOM 696 HE2 LYS A 47 2.177 54.907 32.029 1.00 0.00 H ATOM 697 HE3 LYS A 47 0.570 54.239 31.658 1.00 0.00 H ATOM 698 HZ1 LYS A 47 3.000 53.975 29.955 1.00 0.00 H ATOM 699 HZ2 LYS A 47 1.466 53.337 29.600 1.00 0.00 H ATOM 700 HZ3 LYS A 47 1.691 55.020 29.669 1.00 0.00 H ATOM 701 H LYS A 47 6.292 51.896 31.661 1.00 0.00 H ATOM 702 N ARG A 48 6.217 48.776 32.407 1.00 20.76 N ATOM 703 CA ARG A 48 6.480 47.336 32.367 1.00 21.44 C ATOM 704 C ARG A 48 5.188 46.510 32.287 1.00 21.66 C ATOM 705 O ARG A 48 4.873 45.747 33.204 1.00 17.39 O ATOM 706 CB ARG A 48 7.289 46.897 33.605 1.00 10.72 C ATOM 707 CG ARG A 48 7.731 45.433 33.548 1.00 21.13 C ATOM 708 CD ARG A 48 8.436 44.952 34.816 1.00 15.29 C ATOM 709 NE ARG A 48 8.897 43.560 34.704 1.00 14.44 N ATOM 710 CZ ARG A 48 10.155 43.170 34.913 1.00 24.00 C ATOM 711 NH1 ARG A 48 11.099 44.065 35.237 1.00 14.81 N ATOM 712 NH2 ARG A 48 10.471 41.877 34.822 1.00 21.45 N ATOM 713 HA ARG A 48 7.058 47.149 31.462 1.00 0.00 H ATOM 714 HB2 ARG A 48 8.177 47.525 33.679 1.00 0.00 H ATOM 715 HB3 ARG A 48 6.671 47.038 34.491 1.00 0.00 H ATOM 716 HG2 ARG A 48 6.849 44.813 33.389 1.00 0.00 H ATOM 717 HG3 ARG A 48 8.415 45.312 32.708 1.00 0.00 H ATOM 718 HD2 ARG A 48 7.742 45.025 35.653 1.00 0.00 H ATOM 719 HD3 ARG A 48 9.298 45.593 35.003 1.00 0.00 H ATOM 720 HE ARG A 48 8.198 42.834 34.446 1.00 0.00 H ATOM 721 HH12 ARG A 48 12.078 43.753 35.398 1.00 0.00 H ATOM 722 HH11 ARG A 48 10.852 45.071 35.327 1.00 0.00 H ATOM 723 HH22 ARG A 48 11.451 41.568 34.984 1.00 0.00 H ATOM 724 HH21 ARG A 48 9.737 41.178 34.589 1.00 0.00 H ATOM 725 H ARG A 48 6.679 49.393 31.708 1.00 0.00 H ATOM 726 N GLN A 49 4.439 46.656 31.200 1.00 17.63 N ATOM 727 CA GLN A 49 3.205 45.893 31.065 1.00 19.26 C ATOM 728 C GLN A 49 3.382 44.648 30.188 1.00 20.81 C ATOM 729 O GLN A 49 4.160 44.651 29.225 1.00 20.59 O ATOM 730 CB GLN A 49 2.097 46.807 30.532 1.00 25.42 C ATOM 731 CG GLN A 49 1.929 48.065 31.399 1.00 27.69 C ATOM 732 CD GLN A 49 0.861 49.029 30.894 1.00 32.51 C ATOM 733 OE1 GLN A 49 0.764 49.310 29.696 1.00 34.67 O ATOM 734 NE2 GLN A 49 0.071 49.560 31.818 1.00 40.42 N ATOM 735 HA GLN A 49 2.920 45.526 32.051 1.00 0.00 H ATOM 736 HB2 GLN A 49 2.347 47.110 29.515 1.00 0.00 H ATOM 737 HB3 GLN A 49 1.157 46.255 30.524 1.00 0.00 H ATOM 738 HG2 GLN A 49 1.660 47.753 32.408 1.00 0.00 H ATOM 739 HG3 GLN A 49 2.882 48.593 31.426 1.00 0.00 H ATOM 740 HE22 GLN A 49 0.188 49.295 32.817 1.00 0.00 H ATOM 741 HE21 GLN A 49 -0.665 50.242 31.544 1.00 0.00 H ATOM 742 H GLN A 49 4.732 47.312 30.448 1.00 0.00 H ATOM 743 N VAL A 50 2.682 43.572 30.549 1.00 20.04 N ATOM 744 CA VAL A 50 2.744 42.321 29.797 1.00 17.50 C ATOM 745 C VAL A 50 1.724 42.326 28.664 1.00 18.24 C ATOM 746 O VAL A 50 0.527 42.554 28.874 1.00 18.17 O ATOM 747 CB VAL A 50 2.475 41.090 30.696 1.00 15.63 C ATOM 748 CG1 VAL A 50 2.462 39.817 29.871 1.00 8.19 C ATOM 749 CG2 VAL A 50 3.538 40.989 31.768 1.00 20.70 C ATOM 750 HA VAL A 50 3.754 42.248 29.395 1.00 0.00 H ATOM 751 HB VAL A 50 1.499 41.214 31.164 1.00 0.00 H ATOM 752 HG11 VAL A 50 1.677 39.882 29.117 1.00 0.00 H ATOM 753 HG12 VAL A 50 3.428 39.693 29.382 1.00 0.00 H ATOM 754 HG13 VAL A 50 2.271 38.965 30.523 1.00 0.00 H ATOM 755 HG21 VAL A 50 4.516 40.884 31.299 1.00 0.00 H ATOM 756 HG22 VAL A 50 3.522 41.891 32.380 1.00 0.00 H ATOM 757 HG23 VAL A 50 3.339 40.120 32.395 1.00 0.00 H ATOM 758 H VAL A 50 2.074 43.625 31.391 1.00 0.00 H ATOM 759 N VAL A 51 2.234 42.064 27.466 1.00 18.87 N ATOM 760 CA VAL A 51 1.458 42.018 26.243 1.00 20.85 C ATOM 761 C VAL A 51 1.119 40.567 25.879 1.00 23.66 C ATOM 762 O VAL A 51 0.000 40.254 25.491 1.00 23.83 O ATOM 763 CB VAL A 51 2.264 42.666 25.084 1.00 21.86 C ATOM 764 CG1 VAL A 51 1.491 42.571 23.777 1.00 10.69 C ATOM 765 CG2 VAL A 51 2.571 44.123 25.425 1.00 15.45 C ATOM 766 HA VAL A 51 0.531 42.571 26.398 1.00 0.00 H ATOM 767 HB VAL A 51 3.203 42.127 24.959 1.00 0.00 H ATOM 768 HG11 VAL A 51 1.309 41.523 23.539 1.00 0.00 H ATOM 769 HG12 VAL A 51 0.539 43.092 23.881 1.00 0.00 H ATOM 770 HG13 VAL A 51 2.073 43.031 22.978 1.00 0.00 H ATOM 771 HG21 VAL A 51 1.637 44.667 25.565 1.00 0.00 H ATOM 772 HG22 VAL A 51 3.158 44.164 26.342 1.00 0.00 H ATOM 773 HG23 VAL A 51 3.136 44.574 24.610 1.00 0.00 H ATOM 774 H VAL A 51 3.256 41.880 27.401 1.00 0.00 H ATOM 775 N ILE A 52 2.107 39.694 26.011 1.00 21.33 N ATOM 776 CA ILE A 52 1.953 38.289 25.696 1.00 18.98 C ATOM 777 C ILE A 52 2.671 37.492 26.769 1.00 22.60 C ATOM 778 O ILE A 52 3.770 37.883 27.196 1.00 18.80 O ATOM 779 CB ILE A 52 2.657 37.947 24.346 1.00 26.25 C ATOM 780 CG1 ILE A 52 1.876 38.514 23.172 1.00 23.83 C ATOM 781 CG2 ILE A 52 2.847 36.439 24.209 1.00 20.94 C ATOM 782 CD1 ILE A 52 0.550 37.842 22.956 1.00 15.15 C ATOM 783 HA ILE A 52 0.890 38.056 25.635 1.00 0.00 H ATOM 784 HB ILE A 52 3.643 38.411 24.343 1.00 0.00 H ATOM 785 HG12 ILE A 52 1.701 39.574 23.353 1.00 0.00 H ATOM 786 HG13 ILE A 52 2.475 38.395 22.269 1.00 0.00 H ATOM 787 HD11 ILE A 52 0.709 36.781 22.762 1.00 0.00 H ATOM 788 HD12 ILE A 52 -0.066 37.961 23.847 1.00 0.00 H ATOM 789 HD13 ILE A 52 0.048 38.298 22.102 1.00 0.00 H ATOM 790 HG21 ILE A 52 3.462 36.075 25.032 1.00 0.00 H ATOM 791 HG22 ILE A 52 1.874 35.948 24.236 1.00 0.00 H ATOM 792 HG23 ILE A 52 3.339 36.221 23.261 1.00 0.00 H ATOM 793 H ILE A 52 3.029 40.031 26.354 1.00 0.00 H ATOM 794 N HIS A 53 2.057 36.397 27.216 1.00 16.64 N ATOM 795 CA HIS A 53 2.717 35.505 28.174 1.00 20.44 C ATOM 796 C HIS A 53 2.243 34.058 27.941 1.00 24.34 C ATOM 797 O HIS A 53 1.254 33.612 28.520 1.00 20.83 O ATOM 798 CB HIS A 53 2.453 35.918 29.622 1.00 21.88 C ATOM 799 CG HIS A 53 3.510 35.448 30.572 1.00 22.08 C ATOM 800 ND1 HIS A 53 3.882 34.122 30.672 1.00 21.09 N ATOM 801 CD2 HIS A 53 4.324 36.131 31.414 1.00 16.94 C ATOM 802 CE1 HIS A 53 4.881 34.012 31.531 1.00 22.40 C ATOM 803 NE2 HIS A 53 5.168 35.215 31.994 1.00 17.27 N ATOM 804 HA HIS A 53 3.792 35.575 28.009 1.00 0.00 H ATOM 805 HB2 HIS A 53 2.404 37.006 29.669 1.00 0.00 H ATOM 806 HB3 HIS A 53 1.496 35.499 29.933 1.00 0.00 H ATOM 807 HD2 HIS A 53 4.311 37.206 31.597 1.00 0.00 H ATOM 808 HE1 HIS A 53 5.383 33.085 31.810 1.00 0.00 H ATOM 809 H HIS A 53 1.098 36.173 26.881 1.00 0.00 H ATOM 810 N SER A 54 2.973 33.330 27.095 1.00 27.19 N ATOM 811 CA SER A 54 2.629 31.951 26.743 1.00 30.74 C ATOM 812 C SER A 54 2.655 31.023 27.939 1.00 34.33 C ATOM 813 O SER A 54 2.109 29.926 27.873 1.00 34.14 O ATOM 814 CB SER A 54 3.587 31.400 25.674 1.00 26.17 C ATOM 815 OG SER A 54 4.802 30.936 26.253 1.00 30.09 O ATOM 816 HA SER A 54 1.612 31.985 26.353 1.00 0.00 H ATOM 817 HB2 SER A 54 3.814 32.191 24.959 1.00 0.00 H ATOM 818 HB3 SER A 54 3.102 30.573 25.156 1.00 0.00 H ATOM 819 HG SER A 54 5.395 30.589 25.540 1.00 0.00 H ATOM 820 H SER A 54 3.819 33.758 26.669 1.00 0.00 H ATOM 821 N GLY A 55 3.291 31.464 29.023 1.00 37.93 N ATOM 822 CA GLY A 55 3.386 30.639 30.214 1.00 37.11 C ATOM 823 C GLY A 55 2.390 30.946 31.325 1.00 39.54 C ATOM 824 O GLY A 55 1.927 30.046 32.020 1.00 41.95 O ATOM 825 HA3 GLY A 55 4.389 30.759 30.623 1.00 0.00 H ATOM 826 HA2 GLY A 55 3.240 29.602 29.913 1.00 0.00 H ATOM 827 H GLY A 55 3.724 32.409 29.016 1.00 0.00 H ATOM 828 N ASP A 56 2.054 32.212 31.510 1.00 38.18 N ATOM 829 CA ASP A 56 1.118 32.579 32.562 1.00 39.94 C ATOM 830 C ASP A 56 0.232 33.712 32.025 1.00 36.03 C ATOM 831 O ASP A 56 0.262 34.834 32.513 1.00 29.71 O ATOM 832 CB ASP A 56 1.915 33.013 33.797 1.00 47.33 C ATOM 833 CG ASP A 56 1.058 33.111 35.047 1.00 56.55 C ATOM 834 OD1 ASP A 56 -0.054 32.529 35.048 1.00 55.60 O ATOM 835 OD2 ASP A 56 1.508 33.758 36.028 1.00 54.42 O ATOM 836 HA ASP A 56 0.481 31.743 32.852 1.00 0.00 H ATOM 837 HB2 ASP A 56 2.707 32.285 33.974 1.00 0.00 H ATOM 838 HB3 ASP A 56 2.358 33.990 33.601 1.00 0.00 H ATOM 839 H ASP A 56 2.461 32.949 30.900 1.00 0.00 H ATOM 840 N PRO A 57 -0.586 33.404 31.007 1.00 37.91 N ATOM 841 CA PRO A 57 -1.483 34.380 30.378 1.00 39.10 C ATOM 842 C PRO A 57 -2.294 35.312 31.285 1.00 40.19 C ATOM 843 O PRO A 57 -2.720 36.369 30.832 1.00 44.08 O ATOM 844 CB PRO A 57 -2.347 33.517 29.455 1.00 40.08 C ATOM 845 CG PRO A 57 -2.304 32.160 30.101 1.00 38.36 C ATOM 846 CD PRO A 57 -0.873 32.043 30.523 1.00 29.59 C ATOM 847 HA PRO A 57 -0.892 35.140 29.867 1.00 0.00 H ATOM 848 HD3 PRO A 57 -0.753 31.306 31.317 1.00 0.00 H ATOM 849 HD2 PRO A 57 -0.232 31.778 29.682 1.00 0.00 H ATOM 850 HG3 PRO A 57 -2.570 31.377 29.391 1.00 0.00 H ATOM 851 HG2 PRO A 57 -2.973 32.112 30.960 1.00 0.00 H ATOM 852 HB2 PRO A 57 -3.368 33.895 29.410 1.00 0.00 H ATOM 853 HB3 PRO A 57 -1.929 33.483 28.449 1.00 0.00 H ATOM 854 N LYS A 58 -2.505 34.963 32.552 1.00 36.29 N ATOM 855 CA LYS A 58 -3.246 35.879 33.419 1.00 33.58 C ATOM 856 C LYS A 58 -2.423 37.114 33.795 1.00 34.28 C ATOM 857 O LYS A 58 -2.936 38.056 34.405 1.00 30.77 O ATOM 858 CB LYS A 58 -3.717 35.163 34.683 1.00 40.34 C ATOM 859 CG LYS A 58 -2.633 34.502 35.505 1.00 46.11 C ATOM 860 CD LYS A 58 -1.943 35.476 36.447 1.00 49.59 C ATOM 861 CE LYS A 58 -1.053 34.740 37.456 1.00 48.08 C ATOM 862 NZ LYS A 58 -1.845 33.838 38.344 1.00 44.89 N ATOM 863 HA LYS A 58 -4.113 36.219 32.853 1.00 0.00 H ATOM 864 HB2 LYS A 58 -4.218 35.895 35.316 1.00 0.00 H ATOM 865 HB3 LYS A 58 -4.429 34.393 34.386 1.00 0.00 H ATOM 866 HG2 LYS A 58 -3.080 33.702 36.095 1.00 0.00 H ATOM 867 HG3 LYS A 58 -1.888 34.082 34.829 1.00 0.00 H ATOM 868 HD2 LYS A 58 -1.327 36.160 35.863 1.00 0.00 H ATOM 869 HD3 LYS A 58 -2.700 36.043 36.988 1.00 0.00 H ATOM 870 HE2 LYS A 58 -0.535 35.476 38.072 1.00 0.00 H ATOM 871 HE3 LYS A 58 -0.321 34.144 36.911 1.00 0.00 H ATOM 872 HZ1 LYS A 58 -2.542 34.399 38.873 1.00 0.00 H ATOM 873 HZ2 LYS A 58 -2.337 33.128 37.765 1.00 0.00 H ATOM 874 HZ3 LYS A 58 -1.205 33.360 39.010 1.00 0.00 H ATOM 875 H LYS A 58 -2.150 34.057 32.918 1.00 0.00 H ATOM 876 N LEU A 59 -1.141 37.101 33.429 1.00 31.48 N ATOM 877 CA LEU A 59 -0.241 38.215 33.714 1.00 32.69 C ATOM 878 C LEU A 59 -0.414 39.337 32.665 1.00 25.95 C ATOM 879 O LEU A 59 -0.045 40.480 32.908 1.00 26.69 O ATOM 880 CB LEU A 59 1.221 37.710 33.752 1.00 33.37 C ATOM 881 CG LEU A 59 1.537 36.634 34.813 1.00 34.95 C ATOM 882 CD1 LEU A 59 2.981 36.112 34.660 1.00 24.78 C ATOM 883 CD2 LEU A 59 1.314 37.222 36.206 1.00 24.44 C ATOM 884 HA LEU A 59 -0.490 38.632 34.690 1.00 0.00 H ATOM 885 HB2 LEU A 59 1.456 37.293 32.773 1.00 0.00 H ATOM 886 HB3 LEU A 59 1.866 38.568 33.944 1.00 0.00 H ATOM 887 HG LEU A 59 0.869 35.785 34.670 1.00 0.00 H ATOM 888 HD21 LEU A 59 1.972 38.080 36.346 1.00 0.00 H ATOM 889 HD22 LEU A 59 0.276 37.539 36.303 1.00 0.00 H ATOM 890 HD23 LEU A 59 1.536 36.465 36.958 1.00 0.00 H ATOM 891 HD11 LEU A 59 3.104 35.674 33.670 1.00 0.00 H ATOM 892 HD12 LEU A 59 3.680 36.939 34.782 1.00 0.00 H ATOM 893 HD13 LEU A 59 3.175 35.356 35.420 1.00 0.00 H ATOM 894 H LEU A 59 -0.770 36.271 32.924 1.00 0.00 H ATOM 895 N VAL A 60 -0.997 39.004 31.517 1.00 26.41 N ATOM 896 CA VAL A 60 -1.229 39.980 30.455 1.00 26.81 C ATOM 897 C VAL A 60 -2.083 41.143 30.971 1.00 28.52 C ATOM 898 O VAL A 60 -3.196 40.947 31.458 1.00 27.25 O ATOM 899 CB VAL A 60 -1.949 39.342 29.239 1.00 23.84 C ATOM 900 CG1 VAL A 60 -2.318 40.430 28.231 1.00 22.12 C ATOM 901 CG2 VAL A 60 -1.046 38.294 28.564 1.00 24.01 C ATOM 902 HA VAL A 60 -0.251 40.343 30.138 1.00 0.00 H ATOM 903 HB VAL A 60 -2.855 38.847 29.590 1.00 0.00 H ATOM 904 HG11 VAL A 60 -2.981 41.154 28.706 1.00 0.00 H ATOM 905 HG12 VAL A 60 -1.412 40.933 27.893 1.00 0.00 H ATOM 906 HG13 VAL A 60 -2.824 39.977 27.378 1.00 0.00 H ATOM 907 HG21 VAL A 60 -0.129 38.773 28.221 1.00 0.00 H ATOM 908 HG22 VAL A 60 -0.802 37.511 29.281 1.00 0.00 H ATOM 909 HG23 VAL A 60 -1.570 37.859 27.713 1.00 0.00 H ATOM 910 H VAL A 60 -1.297 38.019 31.371 1.00 0.00 H ATOM 911 N ASP A 61 -1.537 42.352 30.864 1.00 27.47 N ATOM 912 CA ASP A 61 -2.220 43.565 31.292 1.00 24.98 C ATOM 913 C ASP A 61 -3.536 43.714 30.523 1.00 26.77 C ATOM 914 O ASP A 61 -3.612 43.401 29.326 1.00 18.61 O ATOM 915 CB ASP A 61 -1.323 44.770 31.036 1.00 27.61 C ATOM 916 CG ASP A 61 -1.741 45.971 31.831 1.00 40.09 C ATOM 917 OD1 ASP A 61 -1.772 45.874 33.077 1.00 50.32 O ATOM 918 OD2 ASP A 61 -2.038 47.013 31.216 1.00 45.95 O ATOM 919 HA ASP A 61 -2.439 43.504 32.358 1.00 0.00 H ATOM 920 HB2 ASP A 61 -0.300 44.509 31.306 1.00 0.00 H ATOM 921 HB3 ASP A 61 -1.365 45.019 29.976 1.00 0.00 H ATOM 922 H ASP A 61 -0.583 42.434 30.458 1.00 0.00 H ATOM 923 N LYS A 62 -4.566 44.198 31.209 1.00 25.06 N ATOM 924 CA LYS A 62 -5.894 44.352 30.602 1.00 31.07 C ATOM 925 C LYS A 62 -5.870 45.239 29.360 1.00 31.82 C ATOM 926 O LYS A 62 -6.722 45.130 28.486 1.00 32.74 O ATOM 927 CB LYS A 62 -6.901 44.906 31.629 1.00 35.97 C ATOM 928 CG LYS A 62 -6.603 46.302 32.138 1.00 31.83 C ATOM 929 CD LYS A 62 -5.328 46.340 32.961 1.00 46.39 C ATOM 930 CE LYS A 62 -4.953 47.770 33.291 1.00 49.99 C ATOM 931 NZ LYS A 62 -4.662 48.534 32.045 1.00 48.14 N ATOM 932 HA LYS A 62 -6.211 43.358 30.286 1.00 0.00 H ATOM 933 HB2 LYS A 62 -7.886 44.920 31.162 1.00 0.00 H ATOM 934 HB3 LYS A 62 -6.916 44.231 32.485 1.00 0.00 H ATOM 935 HG2 LYS A 62 -6.494 46.973 31.286 1.00 0.00 H ATOM 936 HG3 LYS A 62 -7.434 46.637 32.758 1.00 0.00 H ATOM 937 HD2 LYS A 62 -5.482 45.786 33.887 1.00 0.00 H ATOM 938 HD3 LYS A 62 -4.520 45.879 32.393 1.00 0.00 H ATOM 939 HE2 LYS A 62 -4.068 47.771 33.928 1.00 0.00 H ATOM 940 HE3 LYS A 62 -5.780 48.245 33.819 1.00 0.00 H ATOM 941 HZ1 LYS A 62 -3.871 48.084 31.541 1.00 0.00 H ATOM 942 HZ2 LYS A 62 -5.506 48.537 31.437 1.00 0.00 H ATOM 943 HZ3 LYS A 62 -4.407 49.512 32.291 1.00 0.00 H ATOM 944 H LYS A 62 -4.428 44.475 32.202 1.00 0.00 H ATOM 945 N ARG A 63 -4.874 46.110 29.307 1.00 31.16 N ATOM 946 CA ARG A 63 -4.650 47.027 28.198 1.00 28.63 C ATOM 947 C ARG A 63 -4.520 46.267 26.861 1.00 31.79 C ATOM 948 O ARG A 63 -5.044 46.701 25.826 1.00 34.06 O ATOM 949 CB ARG A 63 -3.376 47.811 28.526 1.00 32.81 C ATOM 950 CG ARG A 63 -2.818 48.744 27.502 1.00 28.12 C ATOM 951 CD ARG A 63 -2.063 49.831 28.241 1.00 30.61 C ATOM 952 NE ARG A 63 -1.050 50.499 27.442 1.00 33.61 N ATOM 953 CZ ARG A 63 -1.208 50.907 26.185 1.00 49.33 C ATOM 954 NH1 ARG A 63 -2.358 50.724 25.532 1.00 32.84 N ATOM 955 NH2 ARG A 63 -0.195 51.510 25.573 1.00 54.38 N ATOM 956 HA ARG A 63 -5.496 47.704 28.077 1.00 0.00 H ATOM 957 HB2 ARG A 63 -3.585 48.402 29.418 1.00 0.00 H ATOM 958 HB3 ARG A 63 -2.599 47.080 28.750 1.00 0.00 H ATOM 959 HG2 ARG A 63 -2.142 48.207 26.837 1.00 0.00 H ATOM 960 HG3 ARG A 63 -3.627 49.183 26.918 1.00 0.00 H ATOM 961 HD2 ARG A 63 -1.575 49.382 29.106 1.00 0.00 H ATOM 962 HD3 ARG A 63 -2.781 50.578 28.578 1.00 0.00 H ATOM 963 HE ARG A 63 -0.127 50.672 27.888 1.00 0.00 H ATOM 964 HH12 ARG A 63 -2.456 51.052 24.550 1.00 0.00 H ATOM 965 HH11 ARG A 63 -3.156 50.253 26.005 1.00 0.00 H ATOM 966 HH22 ARG A 63 -0.300 51.836 24.591 1.00 0.00 H ATOM 967 HH21 ARG A 63 0.703 51.657 26.076 1.00 0.00 H ATOM 968 H ARG A 63 -4.210 46.141 30.107 1.00 0.00 H ATOM 969 N PHE A 64 -3.859 45.109 26.899 1.00 29.05 N ATOM 970 CA PHE A 64 -3.632 44.303 25.707 1.00 20.81 C ATOM 971 C PHE A 64 -4.489 43.057 25.587 1.00 24.82 C ATOM 972 O PHE A 64 -4.515 42.421 24.534 1.00 22.59 O ATOM 973 CB PHE A 64 -2.159 43.915 25.639 1.00 20.31 C ATOM 974 CG PHE A 64 -1.237 45.092 25.689 1.00 28.18 C ATOM 975 CD1 PHE A 64 -1.106 45.935 24.591 1.00 26.19 C ATOM 976 CD2 PHE A 64 -0.544 45.402 26.863 1.00 27.70 C ATOM 977 CE1 PHE A 64 -0.298 47.074 24.661 1.00 24.13 C ATOM 978 CE2 PHE A 64 0.259 46.534 26.941 1.00 19.18 C ATOM 979 CZ PHE A 64 0.382 47.367 25.845 1.00 19.71 C ATOM 980 HA PHE A 64 -3.928 44.934 24.869 1.00 0.00 H ATOM 981 HB2 PHE A 64 -1.933 43.262 26.482 1.00 0.00 H ATOM 982 HB3 PHE A 64 -1.985 43.377 24.707 1.00 0.00 H ATOM 983 HD2 PHE A 64 -0.635 44.747 27.729 1.00 0.00 H ATOM 984 HE2 PHE A 64 0.790 46.764 27.864 1.00 0.00 H ATOM 985 HZ PHE A 64 1.011 48.255 25.905 1.00 0.00 H ATOM 986 HE1 PHE A 64 -0.199 47.730 23.796 1.00 0.00 H ATOM 987 HD1 PHE A 64 -1.638 45.706 23.668 1.00 0.00 H ATOM 988 H PHE A 64 -3.493 44.770 27.811 1.00 0.00 H ATOM 989 N ARG A 65 -5.189 42.703 26.657 1.00 22.06 N ATOM 990 CA ARG A 65 -6.038 41.525 26.640 1.00 28.25 C ATOM 991 C ARG A 65 -6.971 41.509 25.424 1.00 28.15 C ATOM 992 O ARG A 65 -7.697 42.470 25.167 1.00 30.98 O ATOM 993 CB ARG A 65 -6.831 41.453 27.943 1.00 33.25 C ATOM 994 CG ARG A 65 -6.636 40.149 28.688 1.00 40.24 C ATOM 995 CD ARG A 65 -7.145 40.285 30.098 1.00 49.54 C ATOM 996 NE ARG A 65 -8.423 40.986 30.113 1.00 54.16 N ATOM 997 CZ ARG A 65 -8.862 41.703 31.140 1.00 58.05 C ATOM 998 NH1 ARG A 65 -8.124 41.806 32.241 1.00 57.70 N ATOM 999 NH2 ARG A 65 -10.021 42.341 31.056 1.00 60.70 N ATOM 1000 HA ARG A 65 -5.402 40.643 26.556 1.00 0.00 H ATOM 1001 HB2 ARG A 65 -6.513 42.272 28.588 1.00 0.00 H ATOM 1002 HB3 ARG A 65 -7.890 41.565 27.711 1.00 0.00 H ATOM 1003 HG2 ARG A 65 -7.185 39.356 28.180 1.00 0.00 H ATOM 1004 HG3 ARG A 65 -5.575 39.899 28.709 1.00 0.00 H ATOM 1005 HD2 ARG A 65 -6.421 40.846 30.689 1.00 0.00 H ATOM 1006 HD3 ARG A 65 -7.274 39.293 30.530 1.00 0.00 H ATOM 1007 HE ARG A 65 -9.027 40.920 29.269 1.00 0.00 H ATOM 1008 HH12 ARG A 65 -8.467 42.368 33.046 1.00 0.00 H ATOM 1009 HH11 ARG A 65 -7.204 41.325 32.297 1.00 0.00 H ATOM 1010 HH22 ARG A 65 -10.365 42.903 31.861 1.00 0.00 H ATOM 1011 HH21 ARG A 65 -10.586 42.280 30.185 1.00 0.00 H ATOM 1012 H ARG A 65 -5.129 43.278 27.521 1.00 0.00 H ATOM 1013 N GLY A 66 -6.915 40.412 24.670 1.00 31.74 N ATOM 1014 CA GLY A 66 -7.723 40.267 23.470 1.00 25.53 C ATOM 1015 C GLY A 66 -7.237 41.080 22.263 1.00 33.15 C ATOM 1016 O GLY A 66 -7.838 40.996 21.174 1.00 30.46 O ATOM 1017 HA3 GLY A 66 -8.739 40.584 23.705 1.00 0.00 H ATOM 1018 HA2 GLY A 66 -7.728 39.214 23.190 1.00 0.00 H ATOM 1019 H GLY A 66 -6.277 39.639 24.947 1.00 0.00 H ATOM 1020 N ARG A 67 -6.156 41.852 22.427 1.00 23.68 N ATOM 1021 CA ARG A 67 -5.662 42.674 21.327 1.00 19.87 C ATOM 1022 C ARG A 67 -4.298 42.284 20.785 1.00 19.76 C ATOM 1023 O ARG A 67 -3.904 42.752 19.724 1.00 25.28 O ATOM 1024 CB ARG A 67 -5.637 44.152 21.732 1.00 11.47 C ATOM 1025 CG ARG A 67 -7.017 44.724 22.009 1.00 19.02 C ATOM 1026 CD ARG A 67 -6.997 46.223 21.858 1.00 12.89 C ATOM 1027 NE ARG A 67 -5.972 46.803 22.711 1.00 21.86 N ATOM 1028 CZ ARG A 67 -5.059 47.666 22.281 1.00 24.01 C ATOM 1029 NH1 ARG A 67 -5.054 48.038 21.011 1.00 22.36 N ATOM 1030 NH2 ARG A 67 -4.156 48.164 23.116 1.00 20.92 N ATOM 1031 HA ARG A 67 -6.369 42.497 20.516 1.00 0.00 H ATOM 1032 HB2 ARG A 67 -5.033 44.254 22.634 1.00 0.00 H ATOM 1033 HB3 ARG A 67 -5.181 44.724 20.924 1.00 0.00 H ATOM 1034 HG2 ARG A 67 -7.731 44.300 21.303 1.00 0.00 H ATOM 1035 HG3 ARG A 67 -7.316 44.468 23.025 1.00 0.00 H ATOM 1036 HD2 ARG A 67 -7.970 46.626 22.140 1.00 0.00 H ATOM 1037 HD3 ARG A 67 -6.787 46.477 20.819 1.00 0.00 H ATOM 1038 HE ARG A 67 -5.953 46.527 23.713 1.00 0.00 H ATOM 1039 HH12 ARG A 67 -4.341 48.714 20.670 1.00 0.00 H ATOM 1040 HH11 ARG A 67 -5.763 47.655 20.354 1.00 0.00 H ATOM 1041 HH22 ARG A 67 -3.445 48.839 22.770 1.00 0.00 H ATOM 1042 HH21 ARG A 67 -4.160 47.879 24.116 1.00 0.00 H ATOM 1043 H ARG A 67 -5.665 41.866 23.344 1.00 0.00 H ATOM 1044 N ALA A 68 -3.573 41.439 21.505 1.00 19.43 N ATOM 1045 CA ALA A 68 -2.257 41.018 21.045 1.00 22.16 C ATOM 1046 C ALA A 68 -2.192 39.515 20.956 1.00 21.33 C ATOM 1047 O ALA A 68 -2.728 38.812 21.819 1.00 25.68 O ATOM 1048 CB ALA A 68 -1.167 41.518 22.000 1.00 16.82 C ATOM 1049 HA ALA A 68 -2.089 41.447 20.057 1.00 0.00 H ATOM 1050 HB1 ALA A 68 -1.195 42.607 22.043 1.00 0.00 H ATOM 1051 HB2 ALA A 68 -1.342 41.109 22.995 1.00 0.00 H ATOM 1052 HB3 ALA A 68 -0.192 41.193 21.638 1.00 0.00 H ATOM 1053 H ALA A 68 -3.947 41.074 22.404 1.00 0.00 H ATOM 1054 N GLU A 69 -1.552 39.018 19.908 1.00 22.62 N ATOM 1055 CA GLU A 69 -1.388 37.592 19.771 1.00 16.16 C ATOM 1056 C GLU A 69 -0.041 37.243 19.141 1.00 21.66 C ATOM 1057 O GLU A 69 0.454 37.938 18.242 1.00 17.51 O ATOM 1058 CB GLU A 69 -2.567 36.977 19.000 1.00 30.75 C ATOM 1059 CG GLU A 69 -2.567 37.076 17.492 1.00 34.87 C ATOM 1060 CD GLU A 69 -3.872 36.518 16.877 1.00 40.64 C ATOM 1061 OE1 GLU A 69 -4.901 37.233 16.887 1.00 35.97 O ATOM 1062 OE2 GLU A 69 -3.870 35.360 16.395 1.00 35.58 O ATOM 1063 HA GLU A 69 -1.389 37.153 20.769 1.00 0.00 H ATOM 1064 HB2 GLU A 69 -2.602 35.918 19.254 1.00 0.00 H ATOM 1065 HB3 GLU A 69 -3.475 37.464 19.356 1.00 0.00 H ATOM 1066 HG2 GLU A 69 -2.463 38.123 17.207 1.00 0.00 H ATOM 1067 HG3 GLU A 69 -1.722 36.509 17.101 1.00 0.00 H ATOM 1068 H GLU A 69 -1.167 39.657 19.183 1.00 0.00 H ATOM 1069 N LEU A 70 0.582 36.194 19.675 1.00 22.19 N ATOM 1070 CA LEU A 70 1.879 35.731 19.187 1.00 21.58 C ATOM 1071 C LEU A 70 1.604 34.872 17.952 1.00 26.58 C ATOM 1072 O LEU A 70 0.827 33.925 18.015 1.00 16.98 O ATOM 1073 CB LEU A 70 2.568 34.903 20.280 1.00 23.79 C ATOM 1074 CG LEU A 70 3.895 34.183 19.993 1.00 25.56 C ATOM 1075 CD1 LEU A 70 5.056 35.164 19.908 1.00 15.77 C ATOM 1076 CD2 LEU A 70 4.151 33.201 21.105 1.00 15.74 C ATOM 1077 HA LEU A 70 2.535 36.563 18.934 1.00 0.00 H ATOM 1078 HB2 LEU A 70 2.753 35.579 21.114 1.00 0.00 H ATOM 1079 HB3 LEU A 70 1.856 34.136 20.587 1.00 0.00 H ATOM 1080 HG LEU A 70 3.819 33.674 19.032 1.00 0.00 H ATOM 1081 HD21 LEU A 70 4.213 33.735 22.053 1.00 0.00 H ATOM 1082 HD22 LEU A 70 3.335 32.479 21.146 1.00 0.00 H ATOM 1083 HD23 LEU A 70 5.090 32.680 20.919 1.00 0.00 H ATOM 1084 HD11 LEU A 70 4.869 35.877 19.105 1.00 0.00 H ATOM 1085 HD12 LEU A 70 5.150 35.697 20.854 1.00 0.00 H ATOM 1086 HD13 LEU A 70 5.977 34.618 19.704 1.00 0.00 H ATOM 1087 H LEU A 70 0.131 35.689 20.464 1.00 0.00 H ATOM 1088 N MET A 71 2.211 35.215 16.820 1.00 30.88 N ATOM 1089 CA MET A 71 1.990 34.438 15.606 1.00 39.72 C ATOM 1090 C MET A 71 2.939 33.252 15.504 1.00 47.11 C ATOM 1091 O MET A 71 2.555 32.107 15.771 1.00 49.84 O ATOM 1092 CB MET A 71 2.131 35.314 14.359 1.00 35.52 C ATOM 1093 CG MET A 71 0.964 36.258 14.144 1.00 35.46 C ATOM 1094 SD MET A 71 -0.541 35.743 15.035 1.00 44.16 S ATOM 1095 CE MET A 71 -1.148 34.358 14.051 1.00 25.85 C ATOM 1096 HA MET A 71 0.971 34.055 15.664 1.00 0.00 H ATOM 1097 HB2 MET A 71 3.041 35.907 14.455 1.00 0.00 H ATOM 1098 HB3 MET A 71 2.213 34.664 13.488 1.00 0.00 H ATOM 1099 HG2 MET A 71 0.741 36.298 13.078 1.00 0.00 H ATOM 1100 HG3 MET A 71 1.251 37.251 14.491 1.00 0.00 H ATOM 1101 HE1 MET A 71 -1.358 34.699 13.037 1.00 0.00 H ATOM 1102 HE2 MET A 71 -0.391 33.575 14.022 1.00 0.00 H ATOM 1103 HE3 MET A 71 -2.060 33.967 14.501 1.00 0.00 H ATOM 1104 H MET A 71 2.845 36.039 16.800 1.00 0.00 H ATOM 1105 N GLY A 72 4.180 33.536 15.125 1.00 49.61 N ATOM 1106 CA GLY A 72 5.177 32.491 14.976 1.00 58.42 C ATOM 1107 C GLY A 72 5.113 31.295 15.917 1.00 59.24 C ATOM 1108 O GLY A 72 4.547 31.363 17.014 1.00 60.46 O ATOM 1109 HA3 GLY A 72 6.154 32.955 15.109 1.00 0.00 H ATOM 1110 HA2 GLY A 72 5.094 32.107 13.959 1.00 0.00 H ATOM 1111 H GLY A 72 4.442 34.524 14.932 1.00 0.00 H ATOM 1112 N ASN A 73 5.701 30.187 15.472 1.00 58.00 N ATOM 1113 CA ASN A 73 5.749 28.967 16.266 1.00 54.27 C ATOM 1114 C ASN A 73 7.087 28.957 17.018 1.00 54.09 C ATOM 1115 O ASN A 73 8.156 29.063 16.403 1.00 49.67 O ATOM 1116 CB ASN A 73 5.659 27.736 15.354 1.00 55.72 C ATOM 1117 CG ASN A 73 5.425 26.441 16.127 1.00 55.63 C ATOM 1118 OD1 ASN A 73 6.056 26.185 17.155 1.00 53.59 O ATOM 1119 ND2 ASN A 73 4.519 25.611 15.620 1.00 57.21 N ATOM 1120 HA ASN A 73 4.912 28.936 16.963 1.00 0.00 H ATOM 1121 HB2 ASN A 73 4.834 27.879 14.656 1.00 0.00 H ATOM 1122 HB3 ASN A 73 6.592 27.646 14.798 1.00 0.00 H ATOM 1123 HD22 ASN A 73 4.009 25.866 14.750 1.00 0.00 H ATOM 1124 HD21 ASN A 73 4.320 24.706 16.093 1.00 0.00 H ATOM 1125 H ASN A 73 6.139 30.193 14.529 1.00 0.00 H ATOM 1126 N MET A 74 7.028 28.842 18.343 1.00 50.84 N ATOM 1127 CA MET A 74 8.246 28.805 19.143 1.00 53.57 C ATOM 1128 C MET A 74 9.190 27.719 18.632 1.00 53.71 C ATOM 1129 O MET A 74 10.417 27.892 18.633 1.00 56.56 O ATOM 1130 CB MET A 74 7.910 28.560 20.615 1.00 47.79 C ATOM 1131 CG MET A 74 7.308 29.768 21.288 1.00 49.62 C ATOM 1132 SD MET A 74 8.418 31.168 21.081 1.00 50.55 S ATOM 1133 CE MET A 74 7.605 32.038 19.777 1.00 52.81 C ATOM 1134 HA MET A 74 8.745 29.770 19.053 1.00 0.00 H ATOM 1135 HB2 MET A 74 7.199 27.736 20.677 1.00 0.00 H ATOM 1136 HB3 MET A 74 8.826 28.289 21.141 1.00 0.00 H ATOM 1137 HG2 MET A 74 7.170 29.564 22.350 1.00 0.00 H ATOM 1138 HG3 MET A 74 6.343 29.996 20.835 1.00 0.00 H ATOM 1139 HE1 MET A 74 7.540 31.396 18.899 1.00 0.00 H ATOM 1140 HE2 MET A 74 6.602 32.318 20.099 1.00 0.00 H ATOM 1141 HE3 MET A 74 8.173 32.936 19.532 1.00 0.00 H ATOM 1142 H MET A 74 6.102 28.778 18.813 1.00 0.00 H ATOM 1143 N ASP A 75 8.607 26.610 18.178 1.00 52.89 N ATOM 1144 CA ASP A 75 9.378 25.485 17.654 1.00 53.28 C ATOM 1145 C ASP A 75 10.249 25.883 16.472 1.00 50.46 C ATOM 1146 O ASP A 75 11.332 25.329 16.276 1.00 50.72 O ATOM 1147 CB ASP A 75 8.446 24.351 17.205 1.00 58.19 C ATOM 1148 CG ASP A 75 7.964 23.482 18.360 1.00 62.89 C ATOM 1149 OD1 ASP A 75 7.255 23.992 19.263 1.00 65.37 O ATOM 1150 OD2 ASP A 75 8.296 22.273 18.353 1.00 65.23 O ATOM 1151 HA ASP A 75 10.021 25.150 18.467 1.00 0.00 H ATOM 1152 HB2 ASP A 75 7.577 24.789 16.714 1.00 0.00 H ATOM 1153 HB3 ASP A 75 8.983 23.720 16.496 1.00 0.00 H ATOM 1154 H ASP A 75 7.569 26.543 18.197 1.00 0.00 H ATOM 1155 N HIS A 76 9.776 26.853 15.693 1.00 49.77 N ATOM 1156 CA HIS A 76 10.493 27.302 14.501 1.00 45.97 C ATOM 1157 C HIS A 76 11.353 28.557 14.748 1.00 43.70 C ATOM 1158 O HIS A 76 11.928 29.128 13.809 1.00 40.39 O ATOM 1159 CB HIS A 76 9.480 27.553 13.377 1.00 51.28 C ATOM 1160 CG HIS A 76 8.373 26.540 13.319 1.00 58.31 C ATOM 1161 ND1 HIS A 76 7.343 26.616 12.405 1.00 64.00 N ATOM 1162 CD2 HIS A 76 8.127 25.435 14.065 1.00 59.83 C ATOM 1163 CE1 HIS A 76 6.513 25.604 12.591 1.00 61.24 C ATOM 1164 NE2 HIS A 76 6.966 24.873 13.593 1.00 62.83 N ATOM 1165 HA HIS A 76 11.190 26.514 14.216 1.00 0.00 H ATOM 1166 HB2 HIS A 76 9.037 28.538 13.527 1.00 0.00 H ATOM 1167 HB3 HIS A 76 10.011 27.536 12.425 1.00 0.00 H ATOM 1168 HD2 HIS A 76 8.738 25.062 14.887 1.00 0.00 H ATOM 1169 HE1 HIS A 76 5.609 25.407 12.015 1.00 0.00 H ATOM 1170 H HIS A 76 8.872 27.304 15.939 1.00 0.00 H ATOM 1171 N LYS A 77 11.435 28.970 16.015 1.00 39.77 N ATOM 1172 CA LYS A 77 12.212 30.141 16.422 1.00 37.82 C ATOM 1173 C LYS A 77 11.671 31.483 15.868 1.00 35.81 C ATOM 1174 O LYS A 77 12.438 32.372 15.475 1.00 27.43 O ATOM 1175 CB LYS A 77 13.688 29.953 16.026 1.00 36.20 C ATOM 1176 CG LYS A 77 14.413 28.854 16.788 1.00 34.94 C ATOM 1177 CD LYS A 77 15.901 28.842 16.418 1.00 41.35 C ATOM 1178 CE LYS A 77 16.751 27.943 17.341 1.00 44.17 C ATOM 1179 NZ LYS A 77 18.248 28.252 17.267 1.00 40.07 N ATOM 1180 HA LYS A 77 12.117 30.209 17.506 1.00 0.00 H ATOM 1181 HB2 LYS A 77 13.727 29.713 14.963 1.00 0.00 H ATOM 1182 HB3 LYS A 77 14.211 30.893 16.205 1.00 0.00 H ATOM 1183 HG2 LYS A 77 14.310 29.030 17.859 1.00 0.00 H ATOM 1184 HG3 LYS A 77 13.972 27.890 16.536 1.00 0.00 H ATOM 1185 HD2 LYS A 77 16.001 28.480 15.395 1.00 0.00 H ATOM 1186 HD3 LYS A 77 16.282 29.861 16.481 1.00 0.00 H ATOM 1187 HE2 LYS A 77 16.596 26.904 17.052 1.00 0.00 H ATOM 1188 HE3 LYS A 77 16.417 28.086 18.369 1.00 0.00 H ATOM 1189 HZ1 LYS A 77 18.582 28.110 16.293 1.00 0.00 H ATOM 1190 HZ2 LYS A 77 18.411 29.239 17.550 1.00 0.00 H ATOM 1191 HZ3 LYS A 77 18.764 27.616 17.908 1.00 0.00 H ATOM 1192 H LYS A 77 10.923 28.435 16.746 1.00 0.00 H ATOM 1193 N VAL A 78 10.344 31.614 15.849 1.00 34.52 N ATOM 1194 CA VAL A 78 9.682 32.827 15.376 1.00 29.08 C ATOM 1195 C VAL A 78 8.908 33.439 16.551 1.00 29.56 C ATOM 1196 O VAL A 78 8.238 32.720 17.296 1.00 27.76 O ATOM 1197 CB VAL A 78 8.700 32.517 14.219 1.00 33.18 C ATOM 1198 CG1 VAL A 78 7.909 33.770 13.867 1.00 22.01 C ATOM 1199 CG2 VAL A 78 9.471 32.012 12.992 1.00 21.59 C ATOM 1200 HA VAL A 78 10.434 33.520 15.000 1.00 0.00 H ATOM 1201 HB VAL A 78 8.007 31.738 14.538 1.00 0.00 H ATOM 1202 HG11 VAL A 78 7.347 34.100 14.740 1.00 0.00 H ATOM 1203 HG12 VAL A 78 8.596 34.557 13.557 1.00 0.00 H ATOM 1204 HG13 VAL A 78 7.220 33.546 13.053 1.00 0.00 H ATOM 1205 HG21 VAL A 78 10.176 32.777 12.667 1.00 0.00 H ATOM 1206 HG22 VAL A 78 10.014 31.104 13.254 1.00 0.00 H ATOM 1207 HG23 VAL A 78 8.769 31.798 12.186 1.00 0.00 H ATOM 1208 H VAL A 78 9.758 30.822 16.184 1.00 0.00 H ATOM 1209 N CYS A 79 9.001 34.761 16.707 1.00 23.70 N ATOM 1210 CA CYS A 79 8.338 35.455 17.817 1.00 26.09 C ATOM 1211 C CYS A 79 7.453 36.629 17.381 1.00 27.87 C ATOM 1212 O CYS A 79 7.195 37.541 18.166 1.00 24.35 O ATOM 1213 CB CYS A 79 9.391 35.938 18.835 1.00 20.65 C ATOM 1214 SG CYS A 79 10.986 36.474 18.102 1.00 21.69 S ATOM 1215 HA CYS A 79 7.668 34.727 18.274 1.00 0.00 H ATOM 1216 HB2 CYS A 79 9.594 35.120 19.527 1.00 0.00 H ATOM 1217 HB3 CYS A 79 8.970 36.780 19.384 1.00 0.00 H ATOM 1218 H CYS A 79 9.558 35.314 16.024 1.00 0.00 H ATOM 1219 N ASN A 80 6.981 36.584 16.134 1.00 27.91 N ATOM 1220 CA ASN A 80 6.128 37.635 15.585 1.00 28.18 C ATOM 1221 C ASN A 80 4.965 38.011 16.478 1.00 23.63 C ATOM 1222 O ASN A 80 4.230 37.163 16.987 1.00 22.06 O ATOM 1223 CB ASN A 80 5.543 37.227 14.237 1.00 25.98 C ATOM 1224 CG ASN A 80 6.583 36.724 13.281 1.00 30.50 C ATOM 1225 OD1 ASN A 80 7.657 37.323 13.110 1.00 22.92 O ATOM 1226 ND2 ASN A 80 6.269 35.619 12.630 1.00 33.82 N ATOM 1227 HA ASN A 80 6.790 38.496 15.490 1.00 0.00 H ATOM 1228 HB2 ASN A 80 4.809 36.438 14.400 1.00 0.00 H ATOM 1229 HB3 ASN A 80 5.052 38.093 13.794 1.00 0.00 H ATOM 1230 HD22 ASN A 80 5.357 35.153 12.807 1.00 0.00 H ATOM 1231 HD21 ASN A 80 6.934 35.215 11.940 1.00 0.00 H ATOM 1232 H ASN A 80 7.229 35.773 15.532 1.00 0.00 H ATOM 1233 N LEU A 81 4.783 39.307 16.636 1.00 22.04 N ATOM 1234 CA LEU A 81 3.699 39.796 17.448 1.00 20.25 C ATOM 1235 C LEU A 81 2.714 40.564 16.590 1.00 20.52 C ATOM 1236 O LEU A 81 3.066 41.516 15.897 1.00 16.10 O ATOM 1237 CB LEU A 81 4.231 40.718 18.535 1.00 17.25 C ATOM 1238 CG LEU A 81 3.184 41.581 19.219 1.00 13.67 C ATOM 1239 CD1 LEU A 81 2.327 40.741 20.146 1.00 17.58 C ATOM 1240 CD2 LEU A 81 3.889 42.682 19.982 1.00 15.62 C ATOM 1241 HA LEU A 81 3.200 38.943 17.907 1.00 0.00 H ATOM 1242 HB2 LEU A 81 4.710 40.102 19.296 1.00 0.00 H ATOM 1243 HB3 LEU A 81 4.972 41.379 18.085 1.00 0.00 H ATOM 1244 HG LEU A 81 2.523 42.023 18.473 1.00 0.00 H ATOM 1245 HD21 LEU A 81 4.551 42.240 20.727 1.00 0.00 H ATOM 1246 HD22 LEU A 81 4.473 43.286 19.288 1.00 0.00 H ATOM 1247 HD23 LEU A 81 3.149 43.310 20.478 1.00 0.00 H ATOM 1248 HD11 LEU A 81 1.825 39.964 19.570 1.00 0.00 H ATOM 1249 HD12 LEU A 81 2.959 40.281 20.906 1.00 0.00 H ATOM 1250 HD13 LEU A 81 1.583 41.377 20.627 1.00 0.00 H ATOM 1251 H LEU A 81 5.426 39.980 16.172 1.00 0.00 H ATOM 1252 N LEU A 82 1.468 40.136 16.641 1.00 20.26 N ATOM 1253 CA LEU A 82 0.420 40.813 15.917 1.00 18.98 C ATOM 1254 C LEU A 82 -0.354 41.591 16.960 1.00 17.83 C ATOM 1255 O LEU A 82 -0.705 41.041 18.009 1.00 19.62 O ATOM 1256 CB LEU A 82 -0.500 39.800 15.227 1.00 25.33 C ATOM 1257 CG LEU A 82 -1.798 40.366 14.636 1.00 28.79 C ATOM 1258 CD1 LEU A 82 -1.492 41.502 13.679 1.00 26.65 C ATOM 1259 CD2 LEU A 82 -2.553 39.261 13.929 1.00 32.80 C ATOM 1260 HA LEU A 82 0.824 41.461 15.139 1.00 0.00 H ATOM 1261 HB2 LEU A 82 0.062 39.337 14.416 1.00 0.00 H ATOM 1262 HB3 LEU A 82 -0.770 39.040 15.961 1.00 0.00 H ATOM 1263 HG LEU A 82 -2.418 40.761 15.441 1.00 0.00 H ATOM 1264 HD21 LEU A 82 -1.935 38.855 13.128 1.00 0.00 H ATOM 1265 HD22 LEU A 82 -2.791 38.472 14.642 1.00 0.00 H ATOM 1266 HD23 LEU A 82 -3.475 39.664 13.509 1.00 0.00 H ATOM 1267 HD11 LEU A 82 -0.969 42.295 14.214 1.00 0.00 H ATOM 1268 HD12 LEU A 82 -0.863 41.133 12.868 1.00 0.00 H ATOM 1269 HD13 LEU A 82 -2.424 41.891 13.269 1.00 0.00 H ATOM 1270 H LEU A 82 1.237 39.298 17.212 1.00 0.00 H ATOM 1271 N LEU A 83 -0.578 42.874 16.689 1.00 15.66 N ATOM 1272 CA LEU A 83 -1.348 43.742 17.569 1.00 17.76 C ATOM 1273 C LEU A 83 -2.591 44.177 16.796 1.00 22.87 C ATOM 1274 O LEU A 83 -2.458 44.681 15.672 1.00 17.83 O ATOM 1275 CB LEU A 83 -0.575 45.009 17.924 1.00 24.01 C ATOM 1276 CG LEU A 83 0.728 44.981 18.702 1.00 32.32 C ATOM 1277 CD1 LEU A 83 0.977 46.429 19.174 1.00 31.13 C ATOM 1278 CD2 LEU A 83 0.649 44.016 19.898 1.00 34.60 C ATOM 1279 HA LEU A 83 -1.579 43.200 18.486 1.00 0.00 H ATOM 1280 HB2 LEU A 83 -0.352 45.502 16.978 1.00 0.00 H ATOM 1281 HB3 LEU A 83 -1.260 45.629 18.503 1.00 0.00 H ATOM 1282 HG LEU A 83 1.546 44.621 18.078 1.00 0.00 H ATOM 1283 HD21 LEU A 83 -0.148 44.336 20.569 1.00 0.00 H ATOM 1284 HD22 LEU A 83 0.440 43.009 19.537 1.00 0.00 H ATOM 1285 HD23 LEU A 83 1.600 44.022 20.431 1.00 0.00 H ATOM 1286 HD11 LEU A 83 1.051 47.085 18.307 1.00 0.00 H ATOM 1287 HD12 LEU A 83 0.149 46.751 19.805 1.00 0.00 H ATOM 1288 HD13 LEU A 83 1.906 46.470 19.742 1.00 0.00 H ATOM 1289 H LEU A 83 -0.187 43.274 15.812 1.00 0.00 H ATOM 1290 N LYS A 84 -3.768 44.024 17.410 1.00 20.68 N ATOM 1291 CA LYS A 84 -5.047 44.369 16.785 1.00 22.38 C ATOM 1292 C LYS A 84 -5.725 45.603 17.399 1.00 23.48 C ATOM 1293 O LYS A 84 -5.425 46.001 18.526 1.00 20.91 O ATOM 1294 CB LYS A 84 -6.030 43.192 16.896 1.00 22.72 C ATOM 1295 CG LYS A 84 -5.577 41.922 16.221 1.00 37.10 C ATOM 1296 CD LYS A 84 -5.320 40.789 17.220 1.00 42.25 C ATOM 1297 CE LYS A 84 -6.612 40.208 17.789 1.00 38.35 C ATOM 1298 NZ LYS A 84 -6.368 38.989 18.616 1.00 29.36 N ATOM 1299 HA LYS A 84 -4.807 44.597 15.747 1.00 0.00 H ATOM 1300 HB2 LYS A 84 -6.184 42.978 17.954 1.00 0.00 H ATOM 1301 HB3 LYS A 84 -6.975 43.496 16.447 1.00 0.00 H ATOM 1302 HG2 LYS A 84 -6.349 41.603 15.521 1.00 0.00 H ATOM 1303 HG3 LYS A 84 -4.655 42.125 15.676 1.00 0.00 H ATOM 1304 HD2 LYS A 84 -4.772 39.994 16.714 1.00 0.00 H ATOM 1305 HD3 LYS A 84 -4.719 41.177 18.042 1.00 0.00 H ATOM 1306 HE2 LYS A 84 -7.272 39.945 16.963 1.00 0.00 H ATOM 1307 HE3 LYS A 84 -7.093 40.963 18.411 1.00 0.00 H ATOM 1308 HZ1 LYS A 84 -5.916 38.259 18.030 1.00 0.00 H ATOM 1309 HZ2 LYS A 84 -5.744 39.231 19.412 1.00 0.00 H ATOM 1310 HZ3 LYS A 84 -7.274 38.631 18.980 1.00 0.00 H ATOM 1311 H LYS A 84 -3.776 43.642 18.377 1.00 0.00 H ATOM 1312 N ASP A 85 -6.650 46.198 16.645 1.00 22.50 N ATOM 1313 CA ASP A 85 -7.411 47.351 17.108 1.00 24.88 C ATOM 1314 C ASP A 85 -6.557 48.444 17.733 1.00 24.76 C ATOM 1315 O ASP A 85 -6.866 48.951 18.813 1.00 22.20 O ATOM 1316 CB ASP A 85 -8.454 46.873 18.102 1.00 34.60 C ATOM 1317 CG ASP A 85 -9.848 47.118 17.611 1.00 49.40 C ATOM 1318 OD1 ASP A 85 -10.301 48.276 17.721 1.00 56.39 O ATOM 1319 OD2 ASP A 85 -10.475 46.167 17.093 1.00 58.54 O ATOM 1320 HA ASP A 85 -7.875 47.805 16.233 1.00 0.00 H ATOM 1321 HB2 ASP A 85 -8.321 45.804 18.266 1.00 0.00 H ATOM 1322 HB3 ASP A 85 -8.313 47.404 19.043 1.00 0.00 H ATOM 1323 H ASP A 85 -6.835 45.826 15.692 1.00 0.00 H ATOM 1324 N LEU A 86 -5.485 48.795 17.031 1.00 22.09 N ATOM 1325 CA LEU A 86 -4.544 49.792 17.483 1.00 26.10 C ATOM 1326 C LEU A 86 -5.174 51.057 18.060 1.00 25.96 C ATOM 1327 O LEU A 86 -6.264 51.462 17.660 1.00 23.62 O ATOM 1328 CB LEU A 86 -3.606 50.161 16.334 1.00 19.65 C ATOM 1329 CG LEU A 86 -2.839 48.995 15.704 1.00 21.30 C ATOM 1330 CD1 LEU A 86 -1.812 49.539 14.715 1.00 13.37 C ATOM 1331 CD2 LEU A 86 -2.146 48.205 16.781 1.00 20.23 C ATOM 1332 HA LEU A 86 -4.001 49.335 18.310 1.00 0.00 H ATOM 1333 HB2 LEU A 86 -4.202 50.632 15.552 1.00 0.00 H ATOM 1334 HB3 LEU A 86 -2.876 50.877 16.713 1.00 0.00 H ATOM 1335 HG LEU A 86 -3.535 48.343 15.177 1.00 0.00 H ATOM 1336 HD21 LEU A 86 -1.449 48.852 17.313 1.00 0.00 H ATOM 1337 HD22 LEU A 86 -2.888 47.816 17.479 1.00 0.00 H ATOM 1338 HD23 LEU A 86 -1.601 47.376 16.329 1.00 0.00 H ATOM 1339 HD11 LEU A 86 -2.324 50.103 13.935 1.00 0.00 H ATOM 1340 HD12 LEU A 86 -1.115 50.193 15.240 1.00 0.00 H ATOM 1341 HD13 LEU A 86 -1.266 48.709 14.267 1.00 0.00 H ATOM 1342 H LEU A 86 -5.316 48.331 16.116 1.00 0.00 H ATOM 1343 N LYS A 87 -4.456 51.654 19.010 1.00 25.24 N ATOM 1344 CA LYS A 87 -4.831 52.893 19.689 1.00 27.94 C ATOM 1345 C LYS A 87 -3.560 53.733 19.724 1.00 28.72 C ATOM 1346 O LYS A 87 -2.449 53.197 19.818 1.00 24.86 O ATOM 1347 CB LYS A 87 -5.299 52.619 21.123 1.00 29.01 C ATOM 1348 CG LYS A 87 -6.547 51.753 21.182 1.00 41.71 C ATOM 1349 CD LYS A 87 -6.949 51.431 22.605 1.00 49.20 C ATOM 1350 CE LYS A 87 -8.250 50.643 22.634 1.00 50.51 C ATOM 1351 NZ LYS A 87 -8.595 50.218 24.015 1.00 47.43 N ATOM 1352 HA LYS A 87 -5.652 53.390 19.173 1.00 0.00 H ATOM 1353 HB2 LYS A 87 -4.497 52.112 21.660 1.00 0.00 H ATOM 1354 HB3 LYS A 87 -5.513 53.572 21.607 1.00 0.00 H ATOM 1355 HG2 LYS A 87 -7.366 52.283 20.696 1.00 0.00 H ATOM 1356 HG3 LYS A 87 -6.354 50.821 20.651 1.00 0.00 H ATOM 1357 HD2 LYS A 87 -6.162 50.840 23.074 1.00 0.00 H ATOM 1358 HD3 LYS A 87 -7.082 52.361 23.158 1.00 0.00 H ATOM 1359 HE2 LYS A 87 -8.143 49.758 22.006 1.00 0.00 H ATOM 1360 HE3 LYS A 87 -9.053 51.269 22.244 1.00 0.00 H ATOM 1361 HZ1 LYS A 87 -7.835 49.616 24.391 1.00 0.00 H ATOM 1362 HZ2 LYS A 87 -8.704 51.058 24.618 1.00 0.00 H ATOM 1363 HZ3 LYS A 87 -9.487 49.683 23.999 1.00 0.00 H ATOM 1364 H LYS A 87 -3.561 51.205 19.290 1.00 0.00 H ATOM 1365 N PRO A 88 -3.698 55.059 19.642 1.00 27.75 N ATOM 1366 CA PRO A 88 -2.500 55.905 19.673 1.00 33.57 C ATOM 1367 C PRO A 88 -1.629 55.630 20.905 1.00 30.21 C ATOM 1368 O PRO A 88 -0.402 55.731 20.843 1.00 31.08 O ATOM 1369 CB PRO A 88 -3.075 57.327 19.674 1.00 34.32 C ATOM 1370 CG PRO A 88 -4.367 57.170 18.924 1.00 32.29 C ATOM 1371 CD PRO A 88 -4.917 55.871 19.497 1.00 30.27 C ATOM 1372 HA PRO A 88 -1.831 55.721 18.833 1.00 0.00 H ATOM 1373 HD3 PRO A 88 -5.400 56.036 20.460 1.00 0.00 H ATOM 1374 HD2 PRO A 88 -5.625 55.404 18.812 1.00 0.00 H ATOM 1375 HG3 PRO A 88 -4.194 57.087 17.851 1.00 0.00 H ATOM 1376 HG2 PRO A 88 -5.041 58.004 19.118 1.00 0.00 H ATOM 1377 HB2 PRO A 88 -3.252 57.678 20.691 1.00 0.00 H ATOM 1378 HB3 PRO A 88 -2.407 58.020 19.163 1.00 0.00 H ATOM 1379 N GLU A 89 -2.270 55.278 22.016 1.00 28.99 N ATOM 1380 CA GLU A 89 -1.549 54.996 23.259 1.00 32.09 C ATOM 1381 C GLU A 89 -0.699 53.722 23.185 1.00 27.09 C ATOM 1382 O GLU A 89 0.157 53.505 24.039 1.00 25.42 O ATOM 1383 CB GLU A 89 -2.523 54.930 24.438 1.00 29.99 C ATOM 1384 CG GLU A 89 -3.365 56.194 24.567 1.00 48.21 C ATOM 1385 CD GLU A 89 -4.612 56.181 23.678 1.00 54.53 C ATOM 1386 OE1 GLU A 89 -4.640 55.419 22.684 1.00 56.30 O ATOM 1387 OE2 GLU A 89 -5.564 56.942 23.974 1.00 54.67 O ATOM 1388 HA GLU A 89 -0.854 55.821 23.413 1.00 0.00 H ATOM 1389 HB2 GLU A 89 -3.189 54.079 24.295 1.00 0.00 H ATOM 1390 HB3 GLU A 89 -1.952 54.794 25.357 1.00 0.00 H ATOM 1391 HG2 GLU A 89 -3.680 56.296 25.605 1.00 0.00 H ATOM 1392 HG3 GLU A 89 -2.750 57.050 24.289 1.00 0.00 H ATOM 1393 H GLU A 89 -3.307 55.201 22.002 1.00 0.00 H ATOM 1394 N ASP A 90 -0.922 52.900 22.160 1.00 23.11 N ATOM 1395 CA ASP A 90 -0.128 51.688 21.970 1.00 25.06 C ATOM 1396 C ASP A 90 1.308 52.075 21.562 1.00 25.03 C ATOM 1397 O ASP A 90 2.216 51.238 21.549 1.00 22.04 O ATOM 1398 CB ASP A 90 -0.726 50.790 20.879 1.00 22.04 C ATOM 1399 CG ASP A 90 -2.047 50.192 21.271 1.00 24.98 C ATOM 1400 OD1 ASP A 90 -2.263 49.937 22.477 1.00 23.77 O ATOM 1401 OD2 ASP A 90 -2.871 49.959 20.359 1.00 31.34 O ATOM 1402 HA ASP A 90 -0.126 51.137 22.911 1.00 0.00 H ATOM 1403 HB2 ASP A 90 -0.868 51.386 19.977 1.00 0.00 H ATOM 1404 HB3 ASP A 90 -0.026 49.981 20.672 1.00 0.00 H ATOM 1405 H ASP A 90 -1.677 53.126 21.481 1.00 0.00 H ATOM 1406 N SER A 91 1.498 53.340 21.203 1.00 22.24 N ATOM 1407 CA SER A 91 2.823 53.824 20.815 1.00 25.44 C ATOM 1408 C SER A 91 3.828 53.688 21.977 1.00 20.44 C ATOM 1409 O SER A 91 3.510 53.983 23.123 1.00 20.65 O ATOM 1410 CB SER A 91 2.745 55.288 20.359 1.00 22.19 C ATOM 1411 OG SER A 91 2.015 55.419 19.159 1.00 24.98 O ATOM 1412 HA SER A 91 3.173 53.210 19.986 1.00 0.00 H ATOM 1413 HB2 SER A 91 3.756 55.664 20.202 1.00 0.00 H ATOM 1414 HB3 SER A 91 2.257 55.876 21.137 1.00 0.00 H ATOM 1415 HG SER A 91 1.094 55.084 19.296 1.00 0.00 H ATOM 1416 H SER A 91 0.692 53.997 21.198 1.00 0.00 H ATOM 1417 N GLY A 92 5.034 53.228 21.659 1.00 16.71 N ATOM 1418 CA GLY A 92 6.060 53.044 22.666 1.00 14.37 C ATOM 1419 C GLY A 92 6.971 51.873 22.334 1.00 20.05 C ATOM 1420 O GLY A 92 7.024 51.416 21.184 1.00 19.35 O ATOM 1421 HA3 GLY A 92 5.582 52.858 23.628 1.00 0.00 H ATOM 1422 HA2 GLY A 92 6.660 53.952 22.729 1.00 0.00 H ATOM 1423 H GLY A 92 5.246 52.995 20.668 1.00 0.00 H ATOM 1424 N THR A 93 7.664 51.367 23.356 1.00 22.02 N ATOM 1425 CA THR A 93 8.604 50.254 23.212 1.00 24.68 C ATOM 1426 C THR A 93 8.044 48.853 23.485 1.00 25.03 C ATOM 1427 O THR A 93 7.221 48.650 24.383 1.00 22.48 O ATOM 1428 CB THR A 93 9.823 50.475 24.135 1.00 28.24 C ATOM 1429 OG1 THR A 93 10.414 51.750 23.836 1.00 28.61 O ATOM 1430 CG2 THR A 93 10.863 49.395 23.906 1.00 32.98 C ATOM 1431 HA THR A 93 8.868 50.267 22.155 1.00 0.00 H ATOM 1432 HB THR A 93 9.489 50.440 25.172 1.00 0.00 H ATOM 1433 HG1 THR A 93 11.196 51.896 24.425 1.00 0.00 H ATOM 1434 HG23 THR A 93 10.428 48.421 24.129 1.00 0.00 H ATOM 1435 HG21 THR A 93 11.188 49.420 22.866 1.00 0.00 H ATOM 1436 HG22 THR A 93 11.718 49.571 24.559 1.00 0.00 H ATOM 1437 H THR A 93 7.530 51.783 24.300 1.00 0.00 H ATOM 1438 N TYR A 94 8.497 47.888 22.689 1.00 22.89 N ATOM 1439 CA TYR A 94 8.085 46.496 22.843 1.00 22.39 C ATOM 1440 C TYR A 94 9.341 45.646 22.813 1.00 19.48 C ATOM 1441 O TYR A 94 10.161 45.797 21.907 1.00 17.57 O ATOM 1442 CB TYR A 94 7.137 46.068 21.710 1.00 20.15 C ATOM 1443 CG TYR A 94 5.770 46.732 21.765 1.00 18.12 C ATOM 1444 CD1 TYR A 94 5.617 48.092 21.486 1.00 13.52 C ATOM 1445 CD2 TYR A 94 4.638 46.003 22.120 1.00 16.78 C ATOM 1446 CE1 TYR A 94 4.367 48.716 21.561 1.00 11.77 C ATOM 1447 CE2 TYR A 94 3.375 46.613 22.195 1.00 18.44 C ATOM 1448 CZ TYR A 94 3.250 47.966 21.917 1.00 20.57 C ATOM 1449 OH TYR A 94 2.018 48.566 22.012 1.00 20.99 O ATOM 1450 HA TYR A 94 7.547 46.371 23.782 1.00 0.00 H ATOM 1451 HB3 TYR A 94 6.997 44.989 21.769 1.00 0.00 H ATOM 1452 HB2 TYR A 94 7.604 46.321 20.758 1.00 0.00 H ATOM 1453 HD2 TYR A 94 4.734 44.940 22.344 1.00 0.00 H ATOM 1454 HE2 TYR A 94 2.498 46.027 22.470 1.00 0.00 H ATOM 1455 HE1 TYR A 94 4.269 49.779 21.343 1.00 0.00 H ATOM 1456 HD1 TYR A 94 6.490 48.680 21.204 1.00 0.00 H ATOM 1457 HH TYR A 94 2.101 49.526 21.783 1.00 0.00 H ATOM 1458 H TYR A 94 9.167 48.133 21.932 1.00 0.00 H ATOM 1459 N ASN A 95 9.504 44.778 23.813 1.00 17.75 N ATOM 1460 CA ASN A 95 10.678 43.905 23.879 1.00 15.77 C ATOM 1461 C ASN A 95 10.247 42.481 24.104 1.00 16.78 C ATOM 1462 O ASN A 95 9.350 42.226 24.897 1.00 16.12 O ATOM 1463 CB ASN A 95 11.620 44.304 25.017 1.00 16.36 C ATOM 1464 CG ASN A 95 12.100 45.733 24.901 1.00 23.01 C ATOM 1465 OD1 ASN A 95 11.327 46.670 25.102 1.00 20.52 O ATOM 1466 ND2 ASN A 95 13.384 45.910 24.579 1.00 20.28 N ATOM 1467 HA ASN A 95 11.206 44.005 22.931 1.00 0.00 H ATOM 1468 HB2 ASN A 95 11.093 44.188 25.964 1.00 0.00 H ATOM 1469 HB3 ASN A 95 12.486 43.642 25.002 1.00 0.00 H ATOM 1470 HD22 ASN A 95 13.998 45.086 24.419 1.00 0.00 H ATOM 1471 HD21 ASN A 95 13.770 46.872 24.489 1.00 0.00 H ATOM 1472 H ASN A 95 8.783 44.720 24.560 1.00 0.00 H ATOM 1473 N PHE A 96 10.905 41.561 23.413 1.00 19.14 N ATOM 1474 CA PHE A 96 10.603 40.140 23.520 1.00 18.78 C ATOM 1475 C PHE A 96 11.572 39.445 24.490 1.00 20.64 C ATOM 1476 O PHE A 96 12.742 39.842 24.598 1.00 15.05 O ATOM 1477 CB PHE A 96 10.714 39.487 22.125 1.00 16.54 C ATOM 1478 CG PHE A 96 10.443 38.002 22.109 1.00 21.88 C ATOM 1479 CD1 PHE A 96 9.178 37.505 22.439 1.00 21.37 C ATOM 1480 CD2 PHE A 96 11.457 37.095 21.767 1.00 16.00 C ATOM 1481 CE1 PHE A 96 8.924 36.123 22.436 1.00 24.25 C ATOM 1482 CE2 PHE A 96 11.215 35.712 21.761 1.00 19.37 C ATOM 1483 CZ PHE A 96 9.943 35.224 22.100 1.00 16.82 C ATOM 1484 HA PHE A 96 9.590 40.028 23.905 1.00 0.00 H ATOM 1485 HB2 PHE A 96 9.997 39.972 21.463 1.00 0.00 H ATOM 1486 HB3 PHE A 96 11.724 39.654 21.749 1.00 0.00 H ATOM 1487 HD2 PHE A 96 12.446 37.469 21.502 1.00 0.00 H ATOM 1488 HE2 PHE A 96 12.013 35.019 21.494 1.00 0.00 H ATOM 1489 HZ PHE A 96 9.750 34.151 22.102 1.00 0.00 H ATOM 1490 HE1 PHE A 96 7.933 35.751 22.695 1.00 0.00 H ATOM 1491 HD1 PHE A 96 8.379 38.198 22.702 1.00 0.00 H ATOM 1492 H PHE A 96 11.665 41.865 22.771 1.00 0.00 H ATOM 1493 N ARG A 97 11.065 38.423 25.184 1.00 13.41 N ATOM 1494 CA ARG A 97 11.854 37.609 26.104 1.00 13.93 C ATOM 1495 C ARG A 97 11.428 36.145 25.953 1.00 17.49 C ATOM 1496 O ARG A 97 10.233 35.845 25.830 1.00 14.56 O ATOM 1497 CB ARG A 97 11.635 38.027 27.566 1.00 13.11 C ATOM 1498 CG ARG A 97 12.295 37.089 28.593 1.00 11.12 C ATOM 1499 CD ARG A 97 11.974 37.540 30.040 1.00 12.09 C ATOM 1500 NE ARG A 97 12.654 36.823 31.139 1.00 10.77 N ATOM 1501 CZ ARG A 97 13.975 36.807 31.355 1.00 12.28 C ATOM 1502 NH1 ARG A 97 14.801 37.442 30.528 1.00 11.97 N ATOM 1503 NH2 ARG A 97 14.467 36.257 32.465 1.00 8.35 N ATOM 1504 HA ARG A 97 12.907 37.747 25.860 1.00 0.00 H ATOM 1505 HB2 ARG A 97 12.046 39.027 27.702 1.00 0.00 H ATOM 1506 HB3 ARG A 97 10.563 38.047 27.760 1.00 0.00 H ATOM 1507 HG2 ARG A 97 11.921 36.076 28.443 1.00 0.00 H ATOM 1508 HG3 ARG A 97 13.375 37.102 28.446 1.00 0.00 H ATOM 1509 HD2 ARG A 97 10.900 37.425 30.189 1.00 0.00 H ATOM 1510 HD3 ARG A 97 12.240 38.594 30.122 1.00 0.00 H ATOM 1511 HE ARG A 97 12.056 36.286 31.800 1.00 0.00 H ATOM 1512 HH12 ARG A 97 15.826 37.425 30.702 1.00 0.00 H ATOM 1513 HH11 ARG A 97 14.422 37.955 29.707 1.00 0.00 H ATOM 1514 HH22 ARG A 97 15.494 36.247 32.629 1.00 0.00 H ATOM 1515 HH21 ARG A 97 13.824 35.838 33.167 1.00 0.00 H ATOM 1516 H ARG A 97 10.057 38.195 25.063 1.00 0.00 H ATOM 1517 N PHE A 98 12.393 35.235 25.923 1.00 12.82 N ATOM 1518 CA PHE A 98 12.046 33.826 25.854 1.00 18.94 C ATOM 1519 C PHE A 98 12.782 33.149 26.989 1.00 20.80 C ATOM 1520 O PHE A 98 13.924 33.517 27.312 1.00 15.97 O ATOM 1521 CB PHE A 98 12.360 33.168 24.483 1.00 16.40 C ATOM 1522 CG PHE A 98 13.803 33.244 24.055 1.00 19.10 C ATOM 1523 CD1 PHE A 98 14.352 34.440 23.592 1.00 19.77 C ATOM 1524 CD2 PHE A 98 14.602 32.111 24.075 1.00 17.21 C ATOM 1525 CE1 PHE A 98 15.685 34.507 23.152 1.00 18.41 C ATOM 1526 CE2 PHE A 98 15.940 32.171 23.635 1.00 22.98 C ATOM 1527 CZ PHE A 98 16.475 33.377 23.175 1.00 13.79 C ATOM 1528 HA PHE A 98 10.967 33.711 25.953 1.00 0.00 H ATOM 1529 HB2 PHE A 98 12.079 32.116 24.540 1.00 0.00 H ATOM 1530 HB3 PHE A 98 11.755 33.664 23.723 1.00 0.00 H ATOM 1531 HD2 PHE A 98 14.192 31.167 24.434 1.00 0.00 H ATOM 1532 HE2 PHE A 98 16.559 31.274 23.654 1.00 0.00 H ATOM 1533 HZ PHE A 98 17.510 33.424 22.837 1.00 0.00 H ATOM 1534 HE1 PHE A 98 16.094 35.451 22.793 1.00 0.00 H ATOM 1535 HD1 PHE A 98 13.736 35.339 23.571 1.00 0.00 H ATOM 1536 H PHE A 98 13.390 35.528 25.949 1.00 0.00 H ATOM 1537 N GLU A 99 12.103 32.192 27.615 1.00 17.67 N ATOM 1538 CA GLU A 99 12.653 31.473 28.758 1.00 21.64 C ATOM 1539 C GLU A 99 12.555 29.979 28.521 1.00 22.64 C ATOM 1540 O GLU A 99 11.461 29.448 28.341 1.00 17.68 O ATOM 1541 CB GLU A 99 11.866 31.811 30.023 1.00 20.99 C ATOM 1542 CG GLU A 99 11.737 33.280 30.332 1.00 21.12 C ATOM 1543 CD GLU A 99 10.841 33.521 31.538 1.00 19.47 C ATOM 1544 OE1 GLU A 99 10.075 32.600 31.887 1.00 21.32 O ATOM 1545 OE2 GLU A 99 10.894 34.616 32.131 1.00 11.67 O ATOM 1546 HA GLU A 99 13.695 31.768 28.880 1.00 0.00 H ATOM 1547 HB2 GLU A 99 10.862 31.401 29.914 1.00 0.00 H ATOM 1548 HB3 GLU A 99 12.363 31.332 30.867 1.00 0.00 H ATOM 1549 HG2 GLU A 99 12.727 33.687 30.539 1.00 0.00 H ATOM 1550 HG3 GLU A 99 11.311 33.788 29.467 1.00 0.00 H ATOM 1551 H GLU A 99 11.149 31.949 27.279 1.00 0.00 H ATOM 1552 N ILE A 100 13.701 29.308 28.499 1.00 27.14 N ATOM 1553 CA ILE A 100 13.726 27.860 28.284 1.00 27.52 C ATOM 1554 C ILE A 100 13.779 27.155 29.642 1.00 25.02 C ATOM 1555 O ILE A 100 12.772 26.602 30.098 1.00 25.52 O ATOM 1556 CB ILE A 100 14.948 27.441 27.416 1.00 25.66 C ATOM 1557 CG1 ILE A 100 14.954 28.256 26.116 1.00 28.46 C ATOM 1558 CG2 ILE A 100 14.906 25.932 27.126 1.00 26.76 C ATOM 1559 CD1 ILE A 100 16.155 27.981 25.195 1.00 27.57 C ATOM 1560 HA ILE A 100 12.823 27.568 27.748 1.00 0.00 H ATOM 1561 HB ILE A 100 15.869 27.648 27.961 1.00 0.00 H ATOM 1562 HG12 ILE A 100 14.042 28.025 25.565 1.00 0.00 H ATOM 1563 HG13 ILE A 100 14.961 29.314 26.377 1.00 0.00 H ATOM 1564 HD11 ILE A 100 17.078 28.219 25.723 1.00 0.00 H ATOM 1565 HD12 ILE A 100 16.159 26.929 24.910 1.00 0.00 H ATOM 1566 HD13 ILE A 100 16.076 28.601 24.302 1.00 0.00 H ATOM 1567 HG21 ILE A 100 14.932 25.382 28.067 1.00 0.00 H ATOM 1568 HG22 ILE A 100 13.989 25.692 26.588 1.00 0.00 H ATOM 1569 HG23 ILE A 100 15.768 25.656 26.518 1.00 0.00 H ATOM 1570 H ILE A 100 14.596 29.820 28.637 1.00 0.00 H ATOM 1571 N SER A 101 14.934 27.220 30.304 1.00 19.44 N ATOM 1572 CA SER A 101 15.103 26.566 31.594 1.00 25.50 C ATOM 1573 C SER A 101 16.323 27.095 32.358 1.00 20.25 C ATOM 1574 O SER A 101 17.330 27.456 31.751 1.00 20.44 O ATOM 1575 CB SER A 101 15.250 25.053 31.376 1.00 31.94 C ATOM 1576 OG SER A 101 15.178 24.365 32.606 1.00 34.46 O ATOM 1577 HA SER A 101 14.221 26.783 32.197 1.00 0.00 H ATOM 1578 HB2 SER A 101 16.213 24.850 30.907 1.00 0.00 H ATOM 1579 HB3 SER A 101 14.449 24.705 30.723 1.00 0.00 H ATOM 1580 HG SER A 101 15.275 23.393 32.445 1.00 0.00 H ATOM 1581 H SER A 101 15.730 27.748 29.891 1.00 0.00 H ATOM 1582 N ASP A 102 16.224 27.131 33.688 1.00 21.73 N ATOM 1583 CA ASP A 102 17.305 27.623 34.546 1.00 25.57 C ATOM 1584 C ASP A 102 17.860 28.982 34.088 1.00 25.26 C ATOM 1585 O ASP A 102 17.104 29.950 33.979 1.00 23.02 O ATOM 1586 CB ASP A 102 18.432 26.585 34.624 1.00 25.89 C ATOM 1587 CG ASP A 102 17.913 25.205 34.980 1.00 32.12 C ATOM 1588 OD1 ASP A 102 16.974 25.127 35.801 1.00 37.81 O ATOM 1589 OD2 ASP A 102 18.435 24.204 34.451 1.00 33.81 O ATOM 1590 HA ASP A 102 16.879 27.776 35.538 1.00 0.00 H ATOM 1591 HB2 ASP A 102 18.931 26.534 33.656 1.00 0.00 H ATOM 1592 HB3 ASP A 102 19.147 26.899 35.384 1.00 0.00 H ATOM 1593 H ASP A 102 15.345 26.797 34.133 1.00 0.00 H ATOM 1594 N SER A 103 19.161 29.057 33.807 1.00 19.66 N ATOM 1595 CA SER A 103 19.753 30.327 33.396 1.00 14.51 C ATOM 1596 C SER A 103 19.588 30.570 31.908 1.00 15.91 C ATOM 1597 O SER A 103 20.057 31.583 31.387 1.00 15.96 O ATOM 1598 CB SER A 103 21.248 30.385 33.768 1.00 15.11 C ATOM 1599 OG SER A 103 21.967 29.287 33.218 1.00 16.52 O ATOM 1600 HA SER A 103 19.220 31.113 33.932 1.00 0.00 H ATOM 1601 HB2 SER A 103 21.344 30.363 34.854 1.00 0.00 H ATOM 1602 HB3 SER A 103 21.672 31.313 33.386 1.00 0.00 H ATOM 1603 HG SER A 103 22.920 29.356 33.476 1.00 0.00 H ATOM 1604 H SER A 103 19.757 28.208 33.881 1.00 0.00 H ATOM 1605 N ASN A 104 18.938 29.640 31.213 1.00 19.68 N ATOM 1606 CA ASN A 104 18.741 29.802 29.776 1.00 19.40 C ATOM 1607 C ASN A 104 17.444 30.548 29.481 1.00 22.48 C ATOM 1608 O ASN A 104 16.418 29.964 29.105 1.00 19.31 O ATOM 1609 CB ASN A 104 18.760 28.441 29.053 1.00 19.98 C ATOM 1610 CG ASN A 104 20.108 27.714 29.184 1.00 19.37 C ATOM 1611 OD1 ASN A 104 21.164 28.292 28.935 1.00 23.41 O ATOM 1612 ND2 ASN A 104 20.066 26.444 29.575 1.00 14.13 N ATOM 1613 HA ASN A 104 19.571 30.398 29.396 1.00 0.00 H ATOM 1614 HB2 ASN A 104 17.981 27.809 29.479 1.00 0.00 H ATOM 1615 HB3 ASN A 104 18.554 28.606 27.995 1.00 0.00 H ATOM 1616 HD22 ASN A 104 19.151 25.992 29.776 1.00 0.00 H ATOM 1617 HD21 ASN A 104 20.948 25.903 29.680 1.00 0.00 H ATOM 1618 H ASN A 104 18.569 28.795 31.695 1.00 0.00 H ATOM 1619 N ARG A 105 17.511 31.854 29.686 1.00 19.87 N ATOM 1620 CA ARG A 105 16.400 32.758 29.435 1.00 21.20 C ATOM 1621 C ARG A 105 17.072 34.006 28.893 1.00 18.99 C ATOM 1622 O ARG A 105 18.234 34.264 29.209 1.00 17.64 O ATOM 1623 CB ARG A 105 15.600 33.067 30.712 1.00 24.52 C ATOM 1624 CG ARG A 105 16.261 32.679 31.992 1.00 31.37 C ATOM 1625 CD ARG A 105 15.463 31.629 32.764 1.00 27.49 C ATOM 1626 NE ARG A 105 14.383 32.217 33.524 1.00 21.38 N ATOM 1627 CZ ARG A 105 13.769 31.635 34.552 1.00 29.55 C ATOM 1628 NH1 ARG A 105 14.122 30.435 34.963 1.00 19.07 N ATOM 1629 NH2 ARG A 105 12.785 32.265 35.176 1.00 25.34 N ATOM 1630 HA ARG A 105 15.669 32.331 28.748 1.00 0.00 H ATOM 1631 HB2 ARG A 105 15.415 34.141 30.741 1.00 0.00 H ATOM 1632 HB3 ARG A 105 14.650 32.537 30.650 1.00 0.00 H ATOM 1633 HG2 ARG A 105 17.248 32.274 31.768 1.00 0.00 H ATOM 1634 HG3 ARG A 105 16.367 33.567 32.615 1.00 0.00 H ATOM 1635 HD2 ARG A 105 16.134 31.111 33.449 1.00 0.00 H ATOM 1636 HD3 ARG A 105 15.046 30.913 32.056 1.00 0.00 H ATOM 1637 HE ARG A 105 14.061 33.166 33.247 1.00 0.00 H ATOM 1638 HH12 ARG A 105 13.631 29.996 35.768 1.00 0.00 H ATOM 1639 HH11 ARG A 105 14.892 29.926 34.483 1.00 0.00 H ATOM 1640 HH22 ARG A 105 12.304 31.812 35.979 1.00 0.00 H ATOM 1641 HH21 ARG A 105 12.493 33.213 34.863 1.00 0.00 H ATOM 1642 H ARG A 105 18.402 32.253 30.044 1.00 0.00 H ATOM 1643 N TRP A 106 16.335 34.783 28.107 1.00 14.75 N ATOM 1644 CA TRP A 106 16.898 35.942 27.444 1.00 18.93 C ATOM 1645 C TRP A 106 15.932 37.090 27.128 1.00 19.34 C ATOM 1646 O TRP A 106 14.900 36.872 26.492 1.00 15.96 O ATOM 1647 CB TRP A 106 17.515 35.438 26.136 1.00 12.86 C ATOM 1648 CG TRP A 106 18.232 36.456 25.362 1.00 15.37 C ATOM 1649 CD1 TRP A 106 17.700 37.339 24.471 1.00 22.54 C ATOM 1650 CD2 TRP A 106 19.636 36.707 25.393 1.00 20.44 C ATOM 1651 NE1 TRP A 106 18.690 38.127 23.940 1.00 19.80 N ATOM 1652 CE2 TRP A 106 19.891 37.760 24.490 1.00 22.56 C ATOM 1653 CE3 TRP A 106 20.708 36.142 26.097 1.00 16.39 C ATOM 1654 CZ2 TRP A 106 21.179 38.261 24.269 1.00 16.53 C ATOM 1655 CZ3 TRP A 106 21.987 36.640 25.878 1.00 12.49 C ATOM 1656 CH2 TRP A 106 22.210 37.687 24.970 1.00 21.73 C ATOM 1657 HA TRP A 106 17.611 36.382 28.142 1.00 0.00 H ATOM 1658 HB2 TRP A 106 18.216 34.639 26.377 1.00 0.00 H ATOM 1659 HB3 TRP A 106 16.713 35.041 25.514 1.00 0.00 H ATOM 1660 HE1 TRP A 106 18.552 38.880 23.236 1.00 0.00 H ATOM 1661 HD1 TRP A 106 16.642 37.409 24.217 1.00 0.00 H ATOM 1662 HZ2 TRP A 106 21.357 39.076 23.567 1.00 0.00 H ATOM 1663 HH2 TRP A 106 23.226 38.053 24.818 1.00 0.00 H ATOM 1664 HZ3 TRP A 106 22.830 36.211 26.420 1.00 0.00 H ATOM 1665 HE3 TRP A 106 20.542 35.328 26.803 1.00 0.00 H ATOM 1666 H TRP A 106 15.331 34.554 27.964 1.00 0.00 H ATOM 1667 N LEU A 107 16.275 38.307 27.558 1.00 16.75 N ATOM 1668 CA LEU A 107 15.456 39.482 27.238 1.00 14.21 C ATOM 1669 C LEU A 107 16.241 40.274 26.194 1.00 17.19 C ATOM 1670 O LEU A 107 17.438 40.505 26.361 1.00 12.17 O ATOM 1671 CB LEU A 107 15.247 40.403 28.446 1.00 19.78 C ATOM 1672 CG LEU A 107 14.514 41.735 28.150 1.00 18.08 C ATOM 1673 CD1 LEU A 107 13.054 41.476 27.770 1.00 7.55 C ATOM 1674 CD2 LEU A 107 14.566 42.619 29.382 1.00 14.83 C ATOM 1675 HA LEU A 107 14.475 39.148 26.900 1.00 0.00 H ATOM 1676 HB2 LEU A 107 14.665 39.857 29.188 1.00 0.00 H ATOM 1677 HB3 LEU A 107 16.227 40.643 28.859 1.00 0.00 H ATOM 1678 HG LEU A 107 15.008 42.230 27.314 1.00 0.00 H ATOM 1679 HD21 LEU A 107 14.079 42.110 30.214 1.00 0.00 H ATOM 1680 HD22 LEU A 107 15.606 42.823 29.638 1.00 0.00 H ATOM 1681 HD23 LEU A 107 14.051 43.557 29.176 1.00 0.00 H ATOM 1682 HD11 LEU A 107 13.017 40.848 26.880 1.00 0.00 H ATOM 1683 HD12 LEU A 107 12.550 40.971 28.594 1.00 0.00 H ATOM 1684 HD13 LEU A 107 12.559 42.426 27.566 1.00 0.00 H ATOM 1685 H LEU A 107 17.136 38.424 28.129 1.00 0.00 H ATOM 1686 N ASP A 108 15.578 40.661 25.111 1.00 15.09 N ATOM 1687 CA ASP A 108 16.234 41.474 24.100 1.00 17.27 C ATOM 1688 C ASP A 108 16.122 42.912 24.592 1.00 17.46 C ATOM 1689 O ASP A 108 15.014 43.405 24.829 1.00 24.11 O ATOM 1690 CB ASP A 108 15.529 41.334 22.747 1.00 13.63 C ATOM 1691 CG ASP A 108 16.020 42.361 21.722 1.00 22.44 C ATOM 1692 OD1 ASP A 108 17.254 42.580 21.619 1.00 19.88 O ATOM 1693 OD2 ASP A 108 15.173 42.950 21.019 1.00 20.52 O ATOM 1694 HA ASP A 108 17.270 41.166 23.958 1.00 0.00 H ATOM 1695 HB2 ASP A 108 15.715 40.333 22.357 1.00 0.00 H ATOM 1696 HB3 ASP A 108 14.458 41.471 22.895 1.00 0.00 H ATOM 1697 H ASP A 108 14.584 40.381 24.985 1.00 0.00 H ATOM 1698 N VAL A 109 17.252 43.585 24.773 1.00 20.80 N ATOM 1699 CA VAL A 109 17.222 44.975 25.238 1.00 21.96 C ATOM 1700 C VAL A 109 17.005 45.976 24.099 1.00 20.34 C ATOM 1701 O VAL A 109 16.611 47.114 24.340 1.00 22.46 O ATOM 1702 CB VAL A 109 18.518 45.345 26.032 1.00 29.55 C ATOM 1703 CG1 VAL A 109 18.771 44.290 27.107 1.00 29.17 C ATOM 1704 CG2 VAL A 109 19.717 45.458 25.102 1.00 30.42 C ATOM 1705 HA VAL A 109 16.365 45.045 25.908 1.00 0.00 H ATOM 1706 HB VAL A 109 18.375 46.317 26.505 1.00 0.00 H ATOM 1707 HG11 VAL A 109 17.922 44.257 27.789 1.00 0.00 H ATOM 1708 HG12 VAL A 109 18.897 43.316 26.635 1.00 0.00 H ATOM 1709 HG13 VAL A 109 19.674 44.547 27.661 1.00 0.00 H ATOM 1710 HG21 VAL A 109 19.876 44.504 24.599 1.00 0.00 H ATOM 1711 HG22 VAL A 109 19.528 46.234 24.361 1.00 0.00 H ATOM 1712 HG23 VAL A 109 20.603 45.716 25.683 1.00 0.00 H ATOM 1713 H VAL A 109 18.164 43.123 24.584 1.00 0.00 H ATOM 1714 N LYS A 110 17.261 45.557 22.861 1.00 23.77 N ATOM 1715 CA LYS A 110 17.037 46.431 21.701 1.00 27.51 C ATOM 1716 C LYS A 110 15.552 46.785 21.609 1.00 25.32 C ATOM 1717 O LYS A 110 15.169 47.940 21.776 1.00 30.30 O ATOM 1718 CB LYS A 110 17.459 45.733 20.402 1.00 31.25 C ATOM 1719 CG LYS A 110 18.933 45.429 20.309 1.00 37.56 C ATOM 1720 CD LYS A 110 19.194 44.142 19.526 1.00 43.66 C ATOM 1721 CE LYS A 110 20.687 43.804 19.559 1.00 52.79 C ATOM 1722 NZ LYS A 110 21.253 43.854 20.948 1.00 42.99 N ATOM 1723 HA LYS A 110 17.636 47.333 21.831 1.00 0.00 H ATOM 1724 HB2 LYS A 110 16.911 44.794 20.326 1.00 0.00 H ATOM 1725 HB3 LYS A 110 17.190 46.378 19.565 1.00 0.00 H ATOM 1726 HG2 LYS A 110 19.434 46.257 19.807 1.00 0.00 H ATOM 1727 HG3 LYS A 110 19.336 45.319 21.316 1.00 0.00 H ATOM 1728 HD2 LYS A 110 18.628 43.325 19.974 1.00 0.00 H ATOM 1729 HD3 LYS A 110 18.877 44.277 18.492 1.00 0.00 H ATOM 1730 HE2 LYS A 110 21.223 44.521 18.936 1.00 0.00 H ATOM 1731 HE3 LYS A 110 20.828 42.800 19.159 1.00 0.00 H ATOM 1732 HZ1 LYS A 110 21.131 44.811 21.337 1.00 0.00 H ATOM 1733 HZ2 LYS A 110 20.754 43.168 21.549 1.00 0.00 H ATOM 1734 HZ3 LYS A 110 22.265 43.618 20.917 1.00 0.00 H ATOM 1735 H LYS A 110 17.626 44.594 22.713 1.00 0.00 H ATOM 1736 N GLY A 111 14.719 45.786 21.336 1.00 24.33 N ATOM 1737 CA GLY A 111 13.288 46.033 21.229 1.00 21.74 C ATOM 1738 C GLY A 111 12.846 46.759 19.958 1.00 26.27 C ATOM 1739 O GLY A 111 13.651 47.131 19.089 1.00 21.00 O ATOM 1740 HA3 GLY A 111 12.985 46.636 22.085 1.00 0.00 H ATOM 1741 HA2 GLY A 111 12.776 45.071 21.264 1.00 0.00 H ATOM 1742 H GLY A 111 15.091 44.824 21.198 1.00 0.00 H ATOM 1743 N THR A 112 11.544 46.980 19.853 1.00 21.12 N ATOM 1744 CA THR A 112 10.992 47.642 18.693 1.00 18.91 C ATOM 1745 C THR A 112 10.211 48.842 19.145 1.00 16.34 C ATOM 1746 O THR A 112 9.479 48.772 20.134 1.00 21.01 O ATOM 1747 CB THR A 112 10.038 46.695 17.941 1.00 22.20 C ATOM 1748 OG1 THR A 112 10.785 45.568 17.474 1.00 24.62 O ATOM 1749 CG2 THR A 112 9.349 47.405 16.755 1.00 13.91 C ATOM 1750 HA THR A 112 11.807 47.936 18.031 1.00 0.00 H ATOM 1751 HB THR A 112 9.253 46.372 18.625 1.00 0.00 H ATOM 1752 HG1 THR A 112 10.181 44.952 16.988 1.00 0.00 H ATOM 1753 HG23 THR A 112 8.784 48.261 17.124 1.00 0.00 H ATOM 1754 HG21 THR A 112 10.105 47.745 16.048 1.00 0.00 H ATOM 1755 HG22 THR A 112 8.673 46.708 16.259 1.00 0.00 H ATOM 1756 H THR A 112 10.909 46.672 20.617 1.00 0.00 H ATOM 1757 N THR A 113 10.352 49.952 18.434 1.00 20.75 N ATOM 1758 CA THR A 113 9.570 51.135 18.786 1.00 19.44 C ATOM 1759 C THR A 113 8.334 51.187 17.872 1.00 21.30 C ATOM 1760 O THR A 113 8.440 51.075 16.639 1.00 26.75 O ATOM 1761 CB THR A 113 10.414 52.420 18.654 1.00 15.87 C ATOM 1762 OG1 THR A 113 11.380 52.437 19.705 1.00 19.17 O ATOM 1763 CG2 THR A 113 9.555 53.668 18.788 1.00 15.03 C ATOM 1764 HA THR A 113 9.255 51.071 19.827 1.00 0.00 H ATOM 1765 HB THR A 113 10.884 52.420 17.671 1.00 0.00 H ATOM 1766 HG1 THR A 113 11.930 53.257 19.633 1.00 0.00 H ATOM 1767 HG23 THR A 113 8.807 53.680 17.995 1.00 0.00 H ATOM 1768 HG21 THR A 113 9.058 53.663 19.758 1.00 0.00 H ATOM 1769 HG22 THR A 113 10.187 54.553 18.706 1.00 0.00 H ATOM 1770 H THR A 113 11.014 49.981 17.632 1.00 0.00 H ATOM 1771 N VAL A 114 7.162 51.322 18.485 1.00 23.39 N ATOM 1772 CA VAL A 114 5.903 51.379 17.745 1.00 23.13 C ATOM 1773 C VAL A 114 5.359 52.797 17.678 1.00 26.69 C ATOM 1774 O VAL A 114 5.367 53.508 18.672 1.00 26.52 O ATOM 1775 CB VAL A 114 4.810 50.487 18.400 1.00 28.21 C ATOM 1776 CG1 VAL A 114 3.450 50.769 17.753 1.00 15.48 C ATOM 1777 CG2 VAL A 114 5.183 49.000 18.255 1.00 17.99 C ATOM 1778 HA VAL A 114 6.129 51.016 16.743 1.00 0.00 H ATOM 1779 HB VAL A 114 4.745 50.723 19.462 1.00 0.00 H ATOM 1780 HG11 VAL A 114 3.192 51.818 17.896 1.00 0.00 H ATOM 1781 HG12 VAL A 114 3.504 50.549 16.687 1.00 0.00 H ATOM 1782 HG13 VAL A 114 2.691 50.140 18.218 1.00 0.00 H ATOM 1783 HG21 VAL A 114 5.264 48.749 17.198 1.00 0.00 H ATOM 1784 HG22 VAL A 114 6.138 48.817 18.748 1.00 0.00 H ATOM 1785 HG23 VAL A 114 4.410 48.386 18.717 1.00 0.00 H ATOM 1786 H VAL A 114 7.140 51.389 19.523 1.00 0.00 H ATOM 1787 N THR A 115 4.878 53.195 16.504 1.00 25.18 N ATOM 1788 CA THR A 115 4.313 54.524 16.312 1.00 25.33 C ATOM 1789 C THR A 115 2.928 54.379 15.678 1.00 26.79 C ATOM 1790 O THR A 115 2.839 54.031 14.515 1.00 23.74 O ATOM 1791 CB THR A 115 5.202 55.359 15.373 1.00 27.68 C ATOM 1792 OG1 THR A 115 6.536 55.413 15.897 1.00 27.01 O ATOM 1793 CG2 THR A 115 4.657 56.767 15.223 1.00 23.32 C ATOM 1794 HA THR A 115 4.248 55.026 17.277 1.00 0.00 H ATOM 1795 HB THR A 115 5.209 54.885 14.391 1.00 0.00 H ATOM 1796 HG1 THR A 115 6.900 54.495 15.966 1.00 0.00 H ATOM 1797 HG23 THR A 115 3.643 56.722 14.825 1.00 0.00 H ATOM 1798 HG21 THR A 115 4.645 57.256 16.197 1.00 0.00 H ATOM 1799 HG22 THR A 115 5.293 57.330 14.540 1.00 0.00 H ATOM 1800 H THR A 115 4.906 52.538 15.699 1.00 0.00 H ATOM 1801 N VAL A 116 1.866 54.638 16.446 1.00 25.28 N ATOM 1802 CA VAL A 116 0.499 54.532 15.947 1.00 29.41 C ATOM 1803 C VAL A 116 -0.092 55.907 15.699 1.00 34.17 C ATOM 1804 O VAL A 116 -0.126 56.725 16.612 1.00 39.03 O ATOM 1805 CB VAL A 116 -0.431 53.826 16.960 1.00 27.11 C ATOM 1806 CG1 VAL A 116 -1.844 53.768 16.400 1.00 16.66 C ATOM 1807 CG2 VAL A 116 0.082 52.439 17.275 1.00 22.69 C ATOM 1808 HA VAL A 116 0.559 53.954 15.025 1.00 0.00 H ATOM 1809 HB VAL A 116 -0.445 54.395 17.890 1.00 0.00 H ATOM 1810 HG11 VAL A 116 -2.204 54.781 16.221 1.00 0.00 H ATOM 1811 HG12 VAL A 116 -1.839 53.212 15.463 1.00 0.00 H ATOM 1812 HG13 VAL A 116 -2.497 53.270 17.116 1.00 0.00 H ATOM 1813 HG21 VAL A 116 0.119 51.850 16.359 1.00 0.00 H ATOM 1814 HG22 VAL A 116 1.082 52.511 17.703 1.00 0.00 H ATOM 1815 HG23 VAL A 116 -0.587 51.959 17.990 1.00 0.00 H ATOM 1816 H VAL A 116 2.019 54.925 17.434 1.00 0.00 H ATOM 1817 N THR A 117 -0.578 56.164 14.485 1.00 33.43 N ATOM 1818 CA THR A 117 -1.162 57.470 14.179 1.00 34.83 C ATOM 1819 C THR A 117 -2.665 57.343 14.035 1.00 34.73 C ATOM 1820 O THR A 117 -3.190 56.237 13.977 1.00 36.56 O ATOM 1821 CB THR A 117 -0.579 58.084 12.877 1.00 33.15 C ATOM 1822 OG1 THR A 117 -0.599 57.109 11.827 1.00 40.98 O ATOM 1823 CG2 THR A 117 0.851 58.532 13.098 1.00 37.13 C ATOM 1824 HA THR A 117 -0.914 58.134 15.007 1.00 0.00 H ATOM 1825 HB THR A 117 -1.190 58.943 12.600 1.00 0.00 H ATOM 1826 HG1 THR A 117 -0.226 57.508 11.001 1.00 0.00 H ATOM 1827 HG23 THR A 117 0.879 59.275 13.895 1.00 0.00 H ATOM 1828 HG21 THR A 117 1.460 57.673 13.379 1.00 0.00 H ATOM 1829 HG22 THR A 117 1.239 58.970 12.178 1.00 0.00 H ATOM 1830 H THR A 117 -0.542 55.430 13.749 1.00 0.00 H ATOM 1831 N THR A 118 -3.355 58.479 13.993 1.00 40.15 N ATOM 1832 CA THR A 118 -4.814 58.489 13.860 1.00 45.32 C ATOM 1833 C THR A 118 -5.212 58.377 12.406 1.00 44.96 C ATOM 1834 O THR A 118 -6.115 57.622 12.049 1.00 47.31 O ATOM 1835 CB THR A 118 -5.429 59.775 14.397 1.00 43.69 C ATOM 1836 OG1 THR A 118 -5.044 59.945 15.765 1.00 52.68 O ATOM 1837 CG2 THR A 118 -6.942 59.708 14.307 1.00 44.98 C ATOM 1838 HA THR A 118 -5.180 57.640 14.437 1.00 0.00 H ATOM 1839 HB THR A 118 -5.074 60.617 13.802 1.00 0.00 H ATOM 1840 HG1 THR A 118 -5.442 60.780 16.117 1.00 0.00 H ATOM 1841 HG23 THR A 118 -7.237 59.579 13.266 1.00 0.00 H ATOM 1842 HG21 THR A 118 -7.303 58.865 14.896 1.00 0.00 H ATOM 1843 HG22 THR A 118 -7.369 60.633 14.695 1.00 0.00 H ATOM 1844 H THR A 118 -2.846 59.384 14.056 1.00 0.00 H ATOM 1845 N ASP A 119 -4.537 59.147 11.566 1.00 44.72 N ATOM 1846 CA ASP A 119 -4.805 59.112 10.142 1.00 44.72 C ATOM 1847 C ASP A 119 -3.503 58.817 9.418 1.00 44.92 C ATOM 1848 O ASP A 119 -3.565 58.340 8.263 1.00 38.86 O ATOM 1849 CB ASP A 119 -5.433 60.438 9.699 1.00 45.86 C ATOM 1850 CG ASP A 119 -6.903 60.549 10.123 1.00 50.42 C ATOM 1851 OD1 ASP A 119 -7.721 59.756 9.614 1.00 46.52 O ATOM 1852 OD2 ASP A 119 -7.243 61.408 10.969 1.00 48.37 O ATOM 1853 HA ASP A 119 -5.520 58.326 9.897 1.00 0.00 H ATOM 1854 OXT ASP A 119 -2.441 59.056 10.043 1.00 39.44 O ATOM 1855 HB2 ASP A 119 -4.874 61.259 10.148 1.00 0.00 H ATOM 1856 HB3 ASP A 119 -5.373 60.510 8.613 1.00 0.00 H ATOM 1857 H ASP A 119 -3.804 59.786 11.934 1.00 0.00 H TER 1858 ASP A 119 HETATM 1859 O HOH 1 24.452 37.388 35.028 1.00 39.86 O HETATM 1860 O HOH 2 24.850 36.289 22.118 1.00 27.63 O HETATM 1861 O HOH 3 22.791 38.559 19.832 1.00 28.77 O HETATM 1862 O HOH 4 20.660 40.048 19.931 1.00 33.21 O HETATM 1863 O HOH 5 18.744 37.198 12.947 1.00 46.67 O HETATM 1864 O HOH 6 11.516 43.698 18.927 1.00 18.89 O HETATM 1865 O HOH 7 13.392 49.268 11.268 1.00 33.83 O HETATM 1866 O HOH 8 14.027 51.757 11.252 1.00 25.17 O HETATM 1867 O HOH 9 12.892 55.154 17.759 1.00 27.18 O HETATM 1868 O HOH 10 9.525 47.697 10.032 1.00 25.90 O HETATM 1869 O HOH 11 5.516 49.301 9.313 1.00 34.59 O HETATM 1870 O HOH 12 -8.431 52.710 10.794 1.00 18.00 O HETATM 1871 O HOH 13 -8.998 46.421 13.698 1.00 20.90 O HETATM 1872 O HOH 14 -11.699 49.644 13.898 1.00 39.89 O HETATM 1873 O HOH 15 9.698 38.021 36.278 1.00 26.44 O HETATM 1874 O HOH 16 -1.643 49.560 10.779 1.00 14.90 O HETATM 1875 O HOH 17 5.518 46.006 10.299 1.00 30.07 O HETATM 1876 O HOH 18 14.821 38.410 36.115 1.00 37.41 O HETATM 1877 O HOH 19 4.197 42.402 35.397 1.00 28.19 O HETATM 1878 O HOH 20 25.312 26.501 18.943 1.00 35.39 O HETATM 1879 O HOH 21 15.254 22.629 28.556 1.00 33.26 O HETATM 1880 O HOH 22 8.054 39.993 34.252 1.00 14.78 O HETATM 1881 O HOH 23 11.124 35.624 36.786 1.00 21.61 O HETATM 1882 O HOH 24 11.177 51.001 28.003 1.00 25.21 O HETATM 1883 O HOH 25 13.460 39.963 34.424 1.00 19.76 O HETATM 1884 O HOH 26 3.583 46.258 35.285 1.00 41.17 O HETATM 1885 O HOH 27 6.533 41.548 34.870 1.00 22.33 O HETATM 1886 O HOH 28 -2.460 38.991 24.720 1.00 23.64 O HETATM 1887 O HOH 29 7.026 35.416 34.062 1.00 23.73 O HETATM 1888 O HOH 30 -0.438 35.399 26.252 1.00 28.54 O HETATM 1889 O HOH 31 0.747 43.303 32.896 1.00 30.80 O HETATM 1890 O HOH 32 -1.125 34.430 21.451 1.00 25.19 O HETATM 1891 O HOH 33 -5.893 38.417 21.128 1.00 36.09 O HETATM 1892 O HOH 34 0.448 54.030 26.781 1.00 47.29 O HETATM 1893 O HOH 35 7.245 52.684 25.859 1.00 30.64 O HETATM 1894 O HOH 36 9.231 47.467 26.439 1.00 19.53 O HETATM 1895 O HOH 37 12.345 42.405 21.200 1.00 20.01 O HETATM 1896 O HOH 38 9.687 36.836 33.627 1.00 26.04 O HETATM 1897 O HOH 39 8.493 33.484 33.658 1.00 29.86 O HETATM 1898 O HOH 40 13.919 27.073 35.450 1.00 26.82 O HETATM 1899 O HOH 41 16.180 26.315 37.983 1.00 24.15 O HETATM 1900 O HOH 42 12.519 34.604 34.287 1.00 16.83 O HETATM 1901 O HOH 43 19.172 40.718 22.247 1.00 25.37 O HETATM 1902 O HOH 44 15.749 42.987 18.175 1.00 19.86 O HETATM 1903 O HOH 45 19.731 41.986 24.600 1.00 17.09 O HETATM 1904 O HOH 46 8.201 53.608 15.193 1.00 13.32 O HETATM 1905 O HOH 47 -7.562 55.615 12.023 1.00 25.93 O HETATM 1906 O HOH 48 -4.823 62.846 11.893 1.00 28.32 O HETATM 1907 O HOH 49 23.472 34.168 33.342 1.00 39.04 O HETATM 1908 C1 PH A 5 17.859 37.113 32.530 1.00 0.10 C HETATM 1909 O1A PH A 5 17.184 36.322 33.201 1.00 -0.54 O HETATM 1910 O1B PH A 5 17.378 37.771 31.578 1.00 -0.54 O HETATM 1911 C2 PH A 5 19.320 37.353 32.926 1.00 0.22 C HETATM 1912 O2 PH A 5 19.351 38.281 33.973 1.00 -0.33 O HETATM 1913 CB PH A 5 19.161 39.618 33.593 1.00 0.08 C HETATM 1914 CG PH A 5 19.684 40.600 34.592 1.00 -0.02 C HETATM 1915 CD1 PH A 5 18.878 41.038 35.644 1.00 -0.06 C HETATM 1916 CE1 PH A 5 19.351 41.949 36.573 1.00 -0.07 C HETATM 1917 CZ PH A 5 20.656 42.435 36.458 1.00 -0.07 C HETATM 1918 CE2 PH A 5 21.466 41.996 35.408 1.00 -0.07 C HETATM 1919 CD2 PH A 5 20.974 41.083 34.487 1.00 -0.06 C HETATM 1920 H23 PH A 5 21.609 40.745 33.676 1.00 0.06 H HETATM 1921 H25 PH A 5 22.479 42.369 35.313 1.00 0.06 H HETATM 1922 H26 PH A 5 21.038 43.148 37.179 1.00 0.06 H HETATM 1923 H24 PH A 5 18.714 42.283 37.384 1.00 0.06 H HETATM 1924 H22 PH A 5 17.866 40.659 35.735 1.00 0.06 H HETATM 1925 H20 PH A 5 18.083 39.794 33.463 1.00 0.07 H HETATM 1926 H21 PH A 5 19.678 39.785 32.636 1.00 0.07 H HETATM 1927 C3 PH A 5 19.958 36.047 33.407 1.00 0.04 C HETATM 1928 C4 PH A 5 20.177 35.048 32.265 1.00 0.09 C HETATM 1929 O4 PH A 5 20.926 33.927 32.723 1.00 -0.39 O HETATM 1930 H4 PH A 5 21.770 34.221 33.044 1.00 0.21 H HETATM 1931 C5 PH A 5 20.892 35.691 31.067 1.00 0.10 C HETATM 1932 N5 PH A 5 20.919 34.701 29.999 1.00 -0.28 N HETATM 1933 C10 PH A 5 22.015 34.488 29.277 1.00 0.18 C HETATM 1934 O10 PH A 5 23.056 35.124 29.407 1.00 -0.40 O HETATM 1935 C11 PH A 5 21.915 33.398 28.248 1.00 0.03 C HETATM 1936 C12 PH A 5 22.649 32.183 28.754 1.00 -0.05 C HETATM 1937 H9 PH A 5 22.582 31.377 28.008 1.00 0.03 H HETATM 1938 H10 PH A 5 22.195 31.847 29.698 1.00 0.03 H HETATM 1939 H11 PH A 5 23.705 32.438 28.925 1.00 0.03 H HETATM 1940 H7 PH A 5 22.368 33.737 27.305 1.00 0.05 H HETATM 1941 H8 PH A 5 20.858 33.147 28.077 1.00 0.05 H HETATM 1942 H6 PH A 5 20.095 34.169 29.804 1.00 0.19 H HETATM 1943 C6 PH A 5 20.105 36.941 30.654 1.00 0.11 C HETATM 1944 O6 PH A 5 20.002 37.848 31.775 1.00 -0.34 O HETATM 1945 C7 PH A 5 20.738 37.690 29.463 1.00 0.11 C HETATM 1946 O7 PH A 5 22.082 38.023 29.761 1.00 -0.39 O HETATM 1947 H14 PH A 5 22.574 37.228 29.929 1.00 0.21 H HETATM 1948 C8 PH A 5 19.962 38.989 29.178 1.00 0.11 C HETATM 1949 O8 PH A 5 18.567 38.740 29.243 1.00 -0.39 O HETATM 1950 H16 PH A 5 18.343 38.424 30.110 1.00 0.21 H HETATM 1951 C9 PH A 5 20.334 39.534 27.792 1.00 0.07 C HETATM 1952 O9 PH A 5 19.782 40.829 27.603 1.00 -0.39 O HETATM 1953 H19 PH A 5 18.836 40.782 27.673 1.00 0.21 H HETATM 1954 H17 PH A 5 19.942 38.857 27.019 1.00 0.06 H HETATM 1955 H18 PH A 5 21.429 39.591 27.707 1.00 0.06 H HETATM 1956 H15 PH A 5 20.228 39.738 29.939 1.00 0.06 H HETATM 1957 H13 PH A 5 20.709 37.044 28.573 1.00 0.06 H HETATM 1958 H12 PH A 5 19.094 36.623 30.360 1.00 0.06 H HETATM 1959 H5 PH A 5 21.919 35.974 31.339 1.00 0.06 H HETATM 1960 H3 PH A 5 19.191 34.695 31.927 1.00 0.06 H HETATM 1961 H1 PH A 5 19.298 35.587 34.157 1.00 0.03 H HETATM 1962 H2 PH A 5 20.931 36.277 33.866 1.00 0.03 H CONECT 1 2 14 15 16 CONECT 14 1 CONECT 15 1 CONECT 16 1 CONECT 311 310 1214 CONECT 1214 311 1213 CONECT 1908 1909 1910 1911 CONECT 1909 1908 CONECT 1910 1908 CONECT 1911 1908 1912 1927 1944 CONECT 1912 1911 1913 CONECT 1913 1912 1914 1925 1926 CONECT 1914 1913 1915 1919 CONECT 1915 1914 1916 1924 CONECT 1916 1915 1917 1923 CONECT 1917 1916 1918 1922 CONECT 1918 1917 1919 1921 CONECT 1919 1914 1918 1920 CONECT 1920 1919 CONECT 1921 1918 CONECT 1922 1917 CONECT 1923 1916 CONECT 1924 1915 CONECT 1925 1913 CONECT 1926 1913 CONECT 1927 1911 1928 1961 1962 CONECT 1928 1927 1929 1931 1960 CONECT 1929 1928 1930 CONECT 1930 1929 CONECT 1931 1928 1932 1943 1959 CONECT 1932 1931 1933 1942 CONECT 1933 1932 1934 1935 CONECT 1934 1933 CONECT 1935 1933 1936 1940 1941 CONECT 1936 1935 1937 1938 1939 CONECT 1937 1936 CONECT 1938 1936 CONECT 1939 1936 CONECT 1940 1935 CONECT 1941 1935 CONECT 1942 1932 CONECT 1943 1931 1944 1945 1958 CONECT 1944 1911 1943 CONECT 1945 1943 1946 1948 1957 CONECT 1946 1945 1947 CONECT 1947 1946 CONECT 1948 1945 1949 1951 1956 CONECT 1949 1948 1950 CONECT 1950 1949 CONECT 1951 1948 1952 1954 1955 CONECT 1952 1951 1953 CONECT 1953 1952 CONECT 1954 1951 CONECT 1955 1951 CONECT 1956 1948 CONECT 1957 1945 CONECT 1958 1943 CONECT 1959 1931 CONECT 1960 1928 CONECT 1961 1927 CONECT 1962 1927 MASTER 0 0 0 0 0 0 0 0 1961 1 61 10 END
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Related entries of code: 2bve
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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Complexes with the same small molecule ligand
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Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
2bve
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
SIALOADHESIN
Ligand Name
PH5
EC.Number
E.C.-.-.-.-
Resolution
2.2(Å)
Affinity (Kd/Ki/IC50)
IC50=215uM
Release Year
2006
Protein/NA Sequence
Check fasta file
Primary Reference
J. Mol. Biol. 2007, 365, 1469-1479.
Ligand Properties
Formula
C
1
9
H
2
7
NO
9
Molecular Weight
413.419
Exact Mass
413.169
No. of atoms
56
No. of bonds
57
Polar Surface Area
165.78
LOGP Value
-0.08 (
Computed with XLOGP3
)
-0.87 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 2
Canonical SMILES
OC[C@H]([C@H]([C@@H]1O[C@](OCc2ccccc2)(C[C@@H]([C@H]1NC(=O)CC)O)C(=O)O)O)O
InChI String
InChI=1S/C19H27NO9/c1-2-14(24)20-15-12(22)8-19(18(26)27,28-10-11-6-4-3-5-7-11)29-17(15)16(25)13(23)9-21/h3-7,12-13,15-17,21-23,25H,2,8-10H2,1H3,(H,20,24)(H,26,27)/t12-,13+,15+,16+,17+,19+/m0/s1
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Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q62230
Entrez Gene ID
NCBI Entrez Gene ID:
20612
ASD
Information of known allosteric effects of PDB entries
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