Browse entries in the PDBbind-CN Database
HEADER 1UX7_COMPLEX COMPND 1UX7_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 120 ILE THR LYS VAL GLU ALA GLU ASN MET LYS ILE GLY GLY SEQRES 2 A 120 THR TYR ALA GLY LYS ILE SER ALA PRO PHE ASP GLY VAL SEQRES 3 A 120 ALA LEU TYR ALA ASN ALA ASP TYR VAL SER TYR SER GLN SEQRES 4 A 120 TYR PHE ALA ASN SER THR HIS ASN ILE SER VAL ARG GLY SEQRES 5 A 120 ALA SER SER ASN ALA GLY THR ALA LYS VAL ASP LEU VAL SEQRES 6 A 120 ILE GLY GLY VAL THR VAL GLY SER PHE ASN PHE THR GLY SEQRES 7 A 120 LYS THR PRO THR VAL GLN THR LEU SER ASN ILE THR HIS SEQRES 8 A 120 ALA THR GLY ASP GLN GLU ILE LYS LEU ALA LEU THR SER SEQRES 9 A 120 ASP ASP GLY THR TRP ASP ALA TYR VAL ASP PHE ILE GLU SEQRES 10 A 120 PHE SER LEU HET CA A 1 1 HET CA A 2 1 HET NON A 283 40 ATOM 1 N ILE A 12 -13.256 37.353 12.138 1.00 27.07 N ATOM 2 CA ILE A 12 -12.506 36.430 11.235 1.00 26.84 C ATOM 3 C ILE A 12 -12.651 36.839 9.773 1.00 25.80 C ATOM 4 O ILE A 12 -13.751 37.140 9.300 1.00 26.69 O ATOM 5 CB ILE A 12 -12.982 34.962 11.382 1.00 27.50 C ATOM 6 CG1 ILE A 12 -12.618 34.391 12.756 1.00 27.98 C ATOM 7 CG2 ILE A 12 -12.370 34.086 10.288 1.00 28.45 C ATOM 8 CD1 ILE A 12 -12.924 32.890 12.910 1.00 28.59 C ATOM 9 HA ILE A 12 -11.460 36.500 11.535 1.00 0.00 H ATOM 10 HB ILE A 12 -14.067 34.960 11.282 1.00 0.00 H ATOM 11 HG12 ILE A 12 -11.551 34.542 12.919 1.00 0.00 H ATOM 12 HG13 ILE A 12 -13.181 34.936 13.514 1.00 0.00 H ATOM 13 HD11 ILE A 12 -13.991 32.721 12.762 1.00 0.00 H ATOM 14 HD12 ILE A 12 -12.359 32.327 12.167 1.00 0.00 H ATOM 15 HD13 ILE A 12 -12.638 32.563 13.910 1.00 0.00 H ATOM 16 HG21 ILE A 12 -12.675 34.461 9.311 1.00 0.00 H ATOM 17 HG22 ILE A 12 -11.283 34.115 10.366 1.00 0.00 H ATOM 18 HG23 ILE A 12 -12.717 33.060 10.409 1.00 0.00 H ATOM 19 HN3 ILE A 12 -14.266 37.335 11.889 1.00 0.00 H ATOM 20 HN2 ILE A 12 -12.888 38.319 12.028 1.00 0.00 H ATOM 21 HN1 ILE A 12 -13.135 37.045 13.124 1.00 0.00 H ATOM 22 N THR A 13 -11.537 36.781 9.045 1.00 23.40 N ATOM 23 CA THR A 13 -11.508 36.986 7.601 1.00 22.12 C ATOM 24 C THR A 13 -11.071 35.668 6.974 1.00 20.22 C ATOM 25 O THR A 13 -9.967 35.240 7.249 1.00 20.47 O ATOM 26 CB THR A 13 -10.480 38.073 7.278 1.00 22.67 C ATOM 27 OG1 THR A 13 -10.900 39.318 7.857 1.00 24.30 O ATOM 28 CG2 THR A 13 -10.429 38.346 5.779 1.00 23.60 C ATOM 29 HA THR A 13 -12.482 37.293 7.220 1.00 0.00 H ATOM 30 HB THR A 13 -9.519 37.726 7.659 1.00 0.00 H ATOM 31 HG1 THR A 13 -10.975 39.215 8.839 1.00 0.00 H ATOM 32 HG23 THR A 13 -10.115 37.442 5.257 1.00 0.00 H ATOM 33 HG21 THR A 13 -11.418 38.643 5.431 1.00 0.00 H ATOM 34 HG22 THR A 13 -9.717 39.147 5.581 1.00 0.00 H ATOM 35 H THR A 13 -10.640 36.579 9.532 1.00 0.00 H ATOM 36 N LYS A 14 -11.937 35.045 6.172 1.00 18.45 N ATOM 37 CA LYS A 14 -11.672 33.747 5.513 1.00 16.81 C ATOM 38 C LYS A 14 -11.720 33.869 4.002 1.00 15.36 C ATOM 39 O LYS A 14 -12.716 34.342 3.434 1.00 17.17 O ATOM 40 CB LYS A 14 -12.709 32.710 5.951 1.00 17.09 C ATOM 41 CG LYS A 14 -12.474 31.303 5.422 1.00 18.31 C ATOM 42 CD LYS A 14 -13.557 30.360 5.966 1.00 21.06 C ATOM 43 CE LYS A 14 -13.304 28.924 5.581 1.00 20.83 C ATOM 44 NZ LYS A 14 -14.374 28.016 6.113 1.00 22.15 N ATOM 45 HA LYS A 14 -10.672 33.432 5.811 1.00 0.00 H ATOM 46 HB2 LYS A 14 -12.706 32.667 7.040 1.00 0.00 H ATOM 47 HB3 LYS A 14 -13.688 33.043 5.605 1.00 0.00 H ATOM 48 HG2 LYS A 14 -12.515 31.313 4.333 1.00 0.00 H ATOM 49 HG3 LYS A 14 -11.493 30.953 5.744 1.00 0.00 H ATOM 50 HD2 LYS A 14 -13.575 30.435 7.053 1.00 0.00 H ATOM 51 HD3 LYS A 14 -14.524 30.666 5.566 1.00 0.00 H ATOM 52 HE2 LYS A 14 -12.341 28.613 5.986 1.00 0.00 H ATOM 53 HE3 LYS A 14 -13.282 28.847 4.494 1.00 0.00 H ATOM 54 HZ1 LYS A 14 -14.397 28.080 7.151 1.00 0.00 H ATOM 55 HZ2 LYS A 14 -15.295 28.304 5.726 1.00 0.00 H ATOM 56 HZ3 LYS A 14 -14.168 27.037 5.830 1.00 0.00 H ATOM 57 H LYS A 14 -12.856 35.501 5.999 1.00 0.00 H ATOM 58 N VAL A 15 -10.657 33.427 3.327 1.00 11.91 N ATOM 59 CA VAL A 15 -10.583 33.464 1.880 1.00 10.84 C ATOM 60 C VAL A 15 -10.218 32.099 1.329 1.00 10.45 C ATOM 61 O VAL A 15 -9.174 31.505 1.691 1.00 9.69 O ATOM 62 CB VAL A 15 -9.564 34.531 1.403 1.00 10.71 C ATOM 63 CG1 VAL A 15 -9.576 34.671 -0.100 1.00 11.25 C ATOM 64 CG2 VAL A 15 -9.819 35.881 2.085 1.00 11.34 C ATOM 65 HA VAL A 15 -11.567 33.740 1.500 1.00 0.00 H ATOM 66 HB VAL A 15 -8.570 34.191 1.694 1.00 0.00 H ATOM 67 HG11 VAL A 15 -9.315 33.715 -0.555 1.00 0.00 H ATOM 68 HG12 VAL A 15 -10.571 34.971 -0.428 1.00 0.00 H ATOM 69 HG13 VAL A 15 -8.850 35.427 -0.399 1.00 0.00 H ATOM 70 HG21 VAL A 15 -10.824 36.225 1.842 1.00 0.00 H ATOM 71 HG22 VAL A 15 -9.724 35.765 3.165 1.00 0.00 H ATOM 72 HG23 VAL A 15 -9.089 36.609 1.731 1.00 0.00 H ATOM 73 H VAL A 15 -9.851 33.041 3.859 1.00 0.00 H ATOM 74 N GLU A 16 -11.073 31.586 0.452 1.00 10.90 N ATOM 75 CA GLU A 16 -10.827 30.289 -0.177 1.00 10.99 C ATOM 76 C GLU A 16 -9.722 30.344 -1.221 1.00 10.38 C ATOM 77 O GLU A 16 -9.680 31.257 -2.032 1.00 10.35 O ATOM 78 CB GLU A 16 -12.095 29.790 -0.836 1.00 11.78 C ATOM 79 CG GLU A 16 -13.267 29.644 0.102 1.00 12.93 C ATOM 80 CD GLU A 16 -13.161 28.489 1.079 1.00 15.64 C ATOM 81 OE1 GLU A 16 -12.348 27.558 0.862 1.00 15.00 O ATOM 82 OE2 GLU A 16 -13.904 28.515 2.086 1.00 19.71 O ATOM 83 HA GLU A 16 -10.507 29.610 0.614 1.00 0.00 H ATOM 84 HB2 GLU A 16 -12.372 30.494 -1.621 1.00 0.00 H ATOM 85 HB3 GLU A 16 -11.889 28.816 -1.279 1.00 0.00 H ATOM 86 HG2 GLU A 16 -13.359 30.566 0.676 1.00 0.00 H ATOM 87 HG3 GLU A 16 -14.166 29.499 -0.498 1.00 0.00 H ATOM 88 H GLU A 16 -11.934 32.117 0.208 1.00 0.00 H ATOM 89 N ALA A 17 -8.802 29.372 -1.202 1.00 9.44 N ATOM 90 CA ALA A 17 -7.705 29.345 -2.142 1.00 9.91 C ATOM 91 C ALA A 17 -8.167 29.366 -3.597 1.00 10.14 C ATOM 92 O ALA A 17 -7.566 30.009 -4.458 1.00 10.92 O ATOM 93 CB ALA A 17 -6.790 28.121 -1.881 1.00 9.48 C ATOM 94 HA ALA A 17 -7.135 30.260 -1.980 1.00 0.00 H ATOM 95 HB1 ALA A 17 -6.387 28.179 -0.870 1.00 0.00 H ATOM 96 HB2 ALA A 17 -7.371 27.205 -1.990 1.00 0.00 H ATOM 97 HB3 ALA A 17 -5.971 28.121 -2.600 1.00 0.00 H ATOM 98 H ALA A 17 -8.879 28.616 -0.492 1.00 0.00 H ATOM 99 N GLU A 18 -9.240 28.627 -3.857 1.00 11.21 N ATOM 100 CA GLU A 18 -9.815 28.501 -5.186 1.00 11.77 C ATOM 101 C GLU A 18 -10.363 29.814 -5.761 1.00 12.03 C ATOM 102 O GLU A 18 -10.646 29.873 -6.948 1.00 13.45 O ATOM 103 CB GLU A 18 -10.875 27.385 -5.186 1.00 11.92 C ATOM 104 CG GLU A 18 -12.081 27.570 -4.256 1.00 12.76 C ATOM 105 CD GLU A 18 -11.925 26.972 -2.870 1.00 12.77 C ATOM 106 OE1 GLU A 18 -10.747 26.896 -2.387 1.00 12.68 O ATOM 107 OE2 GLU A 18 -12.938 26.603 -2.218 1.00 14.05 O ATOM 108 HA GLU A 18 -9.003 28.230 -5.860 1.00 0.00 H ATOM 109 HB2 GLU A 18 -11.255 27.292 -6.203 1.00 0.00 H ATOM 110 HB3 GLU A 18 -10.377 26.458 -4.899 1.00 0.00 H ATOM 111 HG2 GLU A 18 -12.260 28.639 -4.144 1.00 0.00 H ATOM 112 HG3 GLU A 18 -12.946 27.105 -4.729 1.00 0.00 H ATOM 113 H GLU A 18 -9.690 28.114 -3.072 1.00 0.00 H ATOM 114 N ASN A 19 -10.518 30.829 -4.924 1.00 11.65 N ATOM 115 CA ASN A 19 -10.982 32.152 -5.347 1.00 11.36 C ATOM 116 C ASN A 19 -9.853 33.148 -5.571 1.00 11.06 C ATOM 117 O ASN A 19 -10.070 34.274 -6.005 1.00 10.95 O ATOM 118 CB ASN A 19 -11.991 32.663 -4.334 1.00 11.29 C ATOM 119 CG ASN A 19 -13.255 31.773 -4.283 1.00 12.53 C ATOM 120 OD1 ASN A 19 -13.534 31.050 -5.228 1.00 19.02 O ATOM 121 ND2 ASN A 19 -13.942 31.799 -3.195 1.00 17.33 N ATOM 122 HA ASN A 19 -11.457 32.047 -6.322 1.00 0.00 H ATOM 123 HB2 ASN A 19 -11.527 32.674 -3.348 1.00 0.00 H ATOM 124 HB3 ASN A 19 -12.284 33.677 -4.608 1.00 0.00 H ATOM 125 HD22 ASN A 19 -13.663 32.433 -2.419 1.00 0.00 H ATOM 126 HD21 ASN A 19 -14.776 31.186 -3.092 1.00 0.00 H ATOM 127 H ASN A 19 -10.300 30.679 -3.918 1.00 0.00 H ATOM 128 N MET A 20 -8.643 32.716 -5.268 1.00 10.93 N ATOM 129 CA MET A 20 -7.469 33.550 -5.406 1.00 10.35 C ATOM 130 C MET A 20 -6.863 33.478 -6.809 1.00 11.47 C ATOM 131 O MET A 20 -7.290 32.706 -7.656 1.00 11.74 O ATOM 132 CB MET A 20 -6.423 33.081 -4.392 1.00 10.46 C ATOM 133 CG MET A 20 -6.849 33.207 -2.948 1.00 10.01 C ATOM 134 SD MET A 20 -5.524 32.630 -1.851 1.00 9.52 S ATOM 135 CE MET A 20 -6.387 32.609 -0.316 1.00 9.93 C ATOM 136 HA MET A 20 -7.767 34.584 -5.229 1.00 0.00 H ATOM 137 HB2 MET A 20 -6.201 32.033 -4.592 1.00 0.00 H ATOM 138 HB3 MET A 20 -5.520 33.675 -4.534 1.00 0.00 H ATOM 139 HG2 MET A 20 -7.742 32.605 -2.782 1.00 0.00 H ATOM 140 HG3 MET A 20 -7.070 34.251 -2.727 1.00 0.00 H ATOM 141 HE1 MET A 20 -6.746 33.613 -0.089 1.00 0.00 H ATOM 142 HE2 MET A 20 -7.234 31.926 -0.386 1.00 0.00 H ATOM 143 HE3 MET A 20 -5.714 32.275 0.473 1.00 0.00 H ATOM 144 H MET A 20 -8.530 31.743 -4.918 1.00 0.00 H ATOM 145 N LYS A 21 -5.858 34.317 -7.052 1.00 11.53 N ATOM 146 CA LYS A 21 -5.032 34.184 -8.243 1.00 12.73 C ATOM 147 C LYS A 21 -4.167 32.938 -8.104 1.00 13.28 C ATOM 148 O LYS A 21 -3.511 32.760 -7.086 1.00 13.35 O ATOM 149 CB LYS A 21 -4.135 35.404 -8.420 1.00 13.22 C ATOM 150 CG LYS A 21 -3.343 35.345 -9.731 1.00 16.46 C ATOM 151 CD LYS A 21 -2.363 36.497 -9.862 1.00 19.24 C ATOM 152 CE LYS A 21 -1.504 36.291 -11.108 1.00 22.70 C ATOM 153 NZ LYS A 21 -0.594 37.407 -11.314 1.00 26.20 N ATOM 154 HA LYS A 21 -5.680 34.103 -9.116 1.00 0.00 H ATOM 155 HB2 LYS A 21 -4.755 36.300 -8.422 1.00 0.00 H ATOM 156 HB3 LYS A 21 -3.434 35.451 -7.586 1.00 0.00 H ATOM 157 HG2 LYS A 21 -2.789 34.407 -9.765 1.00 0.00 H ATOM 158 HG3 LYS A 21 -4.043 35.382 -10.566 1.00 0.00 H ATOM 159 HD2 LYS A 21 -2.912 37.434 -9.949 1.00 0.00 H ATOM 160 HD3 LYS A 21 -1.723 36.533 -8.980 1.00 0.00 H ATOM 161 HE2 LYS A 21 -2.155 36.199 -11.977 1.00 0.00 H ATOM 162 HE3 LYS A 21 -0.923 35.376 -10.992 1.00 0.00 H ATOM 163 HZ1 LYS A 21 -1.142 38.283 -11.431 1.00 0.00 H ATOM 164 HZ2 LYS A 21 0.034 37.497 -10.490 1.00 0.00 H ATOM 165 HZ3 LYS A 21 -0.025 37.236 -12.168 1.00 0.00 H ATOM 166 H LYS A 21 -5.659 35.083 -6.377 1.00 0.00 H ATOM 167 N ILE A 22 -4.167 32.089 -9.120 1.00 13.85 N ATOM 168 CA ILE A 22 -3.406 30.850 -9.126 1.00 14.12 C ATOM 169 C ILE A 22 -2.308 31.017 -10.162 1.00 14.23 C ATOM 170 O ILE A 22 -2.597 31.378 -11.320 1.00 14.86 O ATOM 171 CB ILE A 22 -4.314 29.672 -9.484 1.00 15.02 C ATOM 172 CG1 ILE A 22 -5.467 29.542 -8.471 1.00 15.59 C ATOM 173 CG2 ILE A 22 -3.517 28.377 -9.595 1.00 14.71 C ATOM 174 CD1 ILE A 22 -6.570 28.623 -8.904 1.00 16.59 C ATOM 175 HA ILE A 22 -2.982 30.643 -8.144 1.00 0.00 H ATOM 176 HB ILE A 22 -4.753 29.868 -10.462 1.00 0.00 H ATOM 177 HG12 ILE A 22 -5.057 29.166 -7.534 1.00 0.00 H ATOM 178 HG13 ILE A 22 -5.892 30.533 -8.308 1.00 0.00 H ATOM 179 HD11 ILE A 22 -7.003 28.990 -9.835 1.00 0.00 H ATOM 180 HD12 ILE A 22 -6.167 27.622 -9.059 1.00 0.00 H ATOM 181 HD13 ILE A 22 -7.339 28.591 -8.132 1.00 0.00 H ATOM 182 HG21 ILE A 22 -2.760 28.483 -10.372 1.00 0.00 H ATOM 183 HG22 ILE A 22 -3.033 28.167 -8.641 1.00 0.00 H ATOM 184 HG23 ILE A 22 -4.190 27.558 -9.850 1.00 0.00 H ATOM 185 H ILE A 22 -4.740 32.320 -9.956 1.00 0.00 H ATOM 186 N GLY A 23 -1.069 30.765 -9.758 1.00 13.72 N ATOM 187 CA GLY A 23 0.083 30.965 -10.616 1.00 14.70 C ATOM 188 C GLY A 23 1.134 29.892 -10.487 1.00 15.32 C ATOM 189 O GLY A 23 1.082 29.039 -9.596 1.00 14.13 O ATOM 190 HA3 GLY A 23 0.537 31.923 -10.363 1.00 0.00 H ATOM 191 HA2 GLY A 23 -0.259 30.988 -11.651 1.00 0.00 H ATOM 192 H GLY A 23 -0.919 30.411 -8.792 1.00 0.00 H ATOM 193 N GLY A 24 2.102 29.923 -11.408 1.00 16.76 N ATOM 194 CA GLY A 24 3.174 28.950 -11.454 1.00 17.94 C ATOM 195 C GLY A 24 2.972 27.977 -12.590 1.00 18.96 C ATOM 196 O GLY A 24 1.901 27.889 -13.183 1.00 19.01 O ATOM 197 HA3 GLY A 24 3.198 28.400 -10.513 1.00 0.00 H ATOM 198 HA2 GLY A 24 4.122 29.470 -11.594 1.00 0.00 H ATOM 199 H GLY A 24 2.085 30.678 -12.123 1.00 0.00 H ATOM 200 N THR A 25 4.008 27.210 -12.871 1.00 20.75 N ATOM 201 CA THR A 25 3.947 26.210 -13.929 1.00 22.34 C ATOM 202 C THR A 25 2.779 25.232 -13.852 1.00 22.10 C ATOM 203 O THR A 25 2.137 24.951 -14.867 1.00 23.06 O ATOM 204 CB THR A 25 5.276 25.448 -13.953 1.00 23.17 C ATOM 205 OG1 THR A 25 6.337 26.379 -14.176 1.00 25.00 O ATOM 206 CG2 THR A 25 5.349 24.475 -15.152 1.00 24.63 C ATOM 207 HA THR A 25 3.773 26.760 -14.854 1.00 0.00 H ATOM 208 HB THR A 25 5.356 24.912 -13.007 1.00 0.00 H ATOM 209 HG1 THR A 25 7.201 25.895 -14.193 1.00 0.00 H ATOM 210 HG23 THR A 25 4.564 23.725 -15.058 1.00 0.00 H ATOM 211 HG21 THR A 25 5.212 25.032 -16.079 1.00 0.00 H ATOM 212 HG22 THR A 25 6.323 23.985 -15.162 1.00 0.00 H ATOM 213 H THR A 25 4.887 27.321 -12.326 1.00 0.00 H ATOM 214 N TYR A 26 2.497 24.710 -12.653 1.00 21.22 N ATOM 215 CA TYR A 26 1.579 23.581 -12.515 1.00 20.57 C ATOM 216 C TYR A 26 0.346 23.819 -11.651 1.00 18.85 C ATOM 217 O TYR A 26 -0.583 23.026 -11.691 1.00 19.50 O ATOM 218 CB TYR A 26 2.321 22.374 -11.926 1.00 20.91 C ATOM 219 CG TYR A 26 3.458 21.881 -12.771 1.00 23.43 C ATOM 220 CD1 TYR A 26 3.218 21.245 -13.973 1.00 24.04 C ATOM 221 CD2 TYR A 26 4.766 22.049 -12.360 1.00 25.05 C ATOM 222 CE1 TYR A 26 4.262 20.774 -14.750 1.00 25.76 C ATOM 223 CE2 TYR A 26 5.825 21.597 -13.134 1.00 27.31 C ATOM 224 CZ TYR A 26 5.561 20.967 -14.331 1.00 27.23 C ATOM 225 OH TYR A 26 6.615 20.511 -15.096 1.00 29.75 O ATOM 226 HA TYR A 26 1.220 23.413 -13.530 1.00 0.00 H ATOM 227 HB3 TYR A 26 1.607 21.560 -11.804 1.00 0.00 H ATOM 228 HB2 TYR A 26 2.717 22.658 -10.951 1.00 0.00 H ATOM 229 HD2 TYR A 26 4.970 22.545 -11.411 1.00 0.00 H ATOM 230 HE2 TYR A 26 6.853 21.738 -12.800 1.00 0.00 H ATOM 231 HE1 TYR A 26 4.059 20.254 -15.686 1.00 0.00 H ATOM 232 HD1 TYR A 26 2.192 21.112 -14.315 1.00 0.00 H ATOM 233 HH TYR A 26 6.265 20.086 -15.918 1.00 0.00 H ATOM 234 H TYR A 26 2.939 25.115 -11.803 1.00 0.00 H ATOM 235 N ALA A 27 0.331 24.894 -10.867 1.00 17.63 N ATOM 236 CA ALA A 27 -0.763 25.078 -9.915 1.00 16.59 C ATOM 237 C ALA A 27 -2.123 25.041 -10.594 1.00 16.21 C ATOM 238 O ALA A 27 -2.309 25.586 -11.703 1.00 16.62 O ATOM 239 CB ALA A 27 -0.604 26.364 -9.172 1.00 16.24 C ATOM 240 HA ALA A 27 -0.717 24.246 -9.212 1.00 0.00 H ATOM 241 HB1 ALA A 27 0.340 26.353 -8.627 1.00 0.00 H ATOM 242 HB2 ALA A 27 -0.608 27.194 -9.879 1.00 0.00 H ATOM 243 HB3 ALA A 27 -1.429 26.480 -8.469 1.00 0.00 H ATOM 244 H ALA A 27 1.093 25.599 -10.931 1.00 0.00 H ATOM 245 N GLY A 28 -3.075 24.398 -9.936 1.00 15.42 N ATOM 246 CA GLY A 28 -4.427 24.331 -10.421 1.00 15.07 C ATOM 247 C GLY A 28 -5.433 23.922 -9.388 1.00 15.08 C ATOM 248 O GLY A 28 -5.086 23.391 -8.345 1.00 15.34 O ATOM 249 HA3 GLY A 28 -4.462 23.609 -11.237 1.00 0.00 H ATOM 250 HA2 GLY A 28 -4.704 25.316 -10.797 1.00 0.00 H ATOM 251 H GLY A 28 -2.837 23.926 -9.040 1.00 0.00 H ATOM 252 N LYS A 29 -6.699 24.135 -9.686 1.00 15.78 N ATOM 253 CA LYS A 29 -7.765 23.799 -8.768 1.00 16.51 C ATOM 254 C LYS A 29 -7.894 22.293 -8.571 1.00 16.50 C ATOM 255 O LYS A 29 -7.525 21.500 -9.457 1.00 18.30 O ATOM 256 CB LYS A 29 -9.076 24.363 -9.284 1.00 16.60 C ATOM 257 CG LYS A 29 -9.129 25.859 -9.221 1.00 18.00 C ATOM 258 CD LYS A 29 -10.461 26.389 -9.641 1.00 20.81 C ATOM 259 CE LYS A 29 -10.448 27.893 -9.692 1.00 22.77 C ATOM 260 NZ LYS A 29 -11.797 28.390 -10.048 1.00 24.97 N ATOM 261 HA LYS A 29 -7.523 24.239 -7.800 1.00 0.00 H ATOM 262 HB2 LYS A 29 -9.205 24.053 -10.321 1.00 0.00 H ATOM 263 HB3 LYS A 29 -9.890 23.960 -8.682 1.00 0.00 H ATOM 264 HG2 LYS A 29 -8.931 26.176 -8.197 1.00 0.00 H ATOM 265 HG3 LYS A 29 -8.363 26.267 -9.881 1.00 0.00 H ATOM 266 HD2 LYS A 29 -10.705 26.000 -10.630 1.00 0.00 H ATOM 267 HD3 LYS A 29 -11.217 26.062 -8.927 1.00 0.00 H ATOM 268 HE2 LYS A 29 -9.729 28.225 -10.442 1.00 0.00 H ATOM 269 HE3 LYS A 29 -10.162 28.287 -8.717 1.00 0.00 H ATOM 270 HZ1 LYS A 29 -12.069 28.014 -10.979 1.00 0.00 H ATOM 271 HZ2 LYS A 29 -12.482 28.074 -9.332 1.00 0.00 H ATOM 272 HZ3 LYS A 29 -11.784 29.429 -10.082 1.00 0.00 H ATOM 273 H LYS A 29 -6.938 24.556 -10.606 1.00 0.00 H ATOM 274 N ILE A 30 -8.436 21.930 -7.410 1.00 15.89 N ATOM 275 CA ILE A 30 -8.825 20.557 -7.090 1.00 15.34 C ATOM 276 C ILE A 30 -10.187 20.532 -6.397 1.00 15.80 C ATOM 277 O ILE A 30 -10.630 21.531 -5.858 1.00 15.03 O ATOM 278 CB ILE A 30 -7.763 19.890 -6.174 1.00 15.20 C ATOM 279 CG1 ILE A 30 -7.555 20.686 -4.875 1.00 14.35 C ATOM 280 CG2 ILE A 30 -6.450 19.724 -6.889 1.00 15.36 C ATOM 281 CD1 ILE A 30 -6.543 20.064 -3.927 1.00 14.29 C ATOM 282 HA ILE A 30 -8.891 19.999 -8.024 1.00 0.00 H ATOM 283 HB ILE A 30 -8.146 18.903 -5.914 1.00 0.00 H ATOM 284 HG12 ILE A 30 -7.211 21.687 -5.137 1.00 0.00 H ATOM 285 HG13 ILE A 30 -8.512 20.756 -4.358 1.00 0.00 H ATOM 286 HD11 ILE A 30 -6.877 19.066 -3.644 1.00 0.00 H ATOM 287 HD12 ILE A 30 -5.575 19.997 -4.424 1.00 0.00 H ATOM 288 HD13 ILE A 30 -6.453 20.684 -3.035 1.00 0.00 H ATOM 289 HG21 ILE A 30 -6.593 19.096 -7.768 1.00 0.00 H ATOM 290 HG22 ILE A 30 -6.079 20.702 -7.196 1.00 0.00 H ATOM 291 HG23 ILE A 30 -5.730 19.254 -6.219 1.00 0.00 H ATOM 292 H ILE A 30 -8.591 22.664 -6.690 1.00 0.00 H ATOM 293 N SER A 31 -10.843 19.364 -6.403 1.00 16.12 N ATOM 294 CA SER A 31 -12.131 19.174 -5.726 1.00 16.92 C ATOM 295 C SER A 31 -12.058 18.180 -4.570 1.00 16.03 C ATOM 296 O SER A 31 -13.014 18.040 -3.813 1.00 17.52 O ATOM 297 CB SER A 31 -13.200 18.668 -6.720 1.00 17.77 C ATOM 298 OG SER A 31 -12.774 17.477 -7.368 1.00 20.92 O ATOM 299 HA SER A 31 -12.400 20.152 -5.326 1.00 0.00 H ATOM 300 HB2 SER A 31 -13.380 19.437 -7.471 1.00 0.00 H ATOM 301 HB3 SER A 31 -14.124 18.468 -6.178 1.00 0.00 H ATOM 302 HG SER A 31 -13.476 17.176 -7.998 1.00 0.00 H ATOM 303 H SER A 31 -10.422 18.558 -6.908 1.00 0.00 H ATOM 304 N ALA A 32 -10.919 17.511 -4.448 1.00 15.12 N ATOM 305 CA ALA A 32 -10.665 16.554 -3.392 1.00 13.77 C ATOM 306 C ALA A 32 -9.186 16.734 -2.985 1.00 13.14 C ATOM 307 O ALA A 32 -8.324 16.895 -3.869 1.00 13.03 O ATOM 308 CB ALA A 32 -10.942 15.131 -3.922 1.00 14.30 C ATOM 309 HA ALA A 32 -11.309 16.708 -2.527 1.00 0.00 H ATOM 310 HB1 ALA A 32 -11.982 15.059 -4.240 1.00 0.00 H ATOM 311 HB2 ALA A 32 -10.287 14.926 -4.769 1.00 0.00 H ATOM 312 HB3 ALA A 32 -10.752 14.406 -3.130 1.00 0.00 H ATOM 313 H ALA A 32 -10.169 17.683 -5.148 1.00 0.00 H ATOM 314 N PRO A 33 -8.854 16.682 -1.693 1.00 12.28 N ATOM 315 CA PRO A 33 -9.749 16.352 -0.575 1.00 11.62 C ATOM 316 C PRO A 33 -10.629 17.476 -0.055 1.00 10.93 C ATOM 317 O PRO A 33 -11.269 17.351 0.985 1.00 12.32 O ATOM 318 CB PRO A 33 -8.763 15.907 0.502 1.00 11.69 C ATOM 319 CG PRO A 33 -7.567 16.799 0.251 1.00 12.19 C ATOM 320 CD PRO A 33 -7.466 16.882 -1.243 1.00 11.48 C ATOM 321 HA PRO A 33 -10.489 15.616 -0.889 1.00 0.00 H ATOM 322 HD3 PRO A 33 -7.092 17.857 -1.555 1.00 0.00 H ATOM 323 HD2 PRO A 33 -6.813 16.101 -1.634 1.00 0.00 H ATOM 324 HG3 PRO A 33 -6.663 16.360 0.675 1.00 0.00 H ATOM 325 HG2 PRO A 33 -7.726 17.787 0.682 1.00 0.00 H ATOM 326 HB2 PRO A 33 -9.171 16.069 1.500 1.00 0.00 H ATOM 327 HB3 PRO A 33 -8.501 14.856 0.384 1.00 0.00 H ATOM 328 N PHE A 34 -10.646 18.582 -0.790 1.00 10.90 N ATOM 329 CA PHE A 34 -11.525 19.712 -0.559 1.00 10.99 C ATOM 330 C PHE A 34 -11.528 20.516 -1.871 1.00 10.99 C ATOM 331 O PHE A 34 -10.700 20.306 -2.735 1.00 11.01 O ATOM 332 CB PHE A 34 -11.061 20.586 0.624 1.00 10.56 C ATOM 333 CG PHE A 34 -9.545 20.696 0.764 1.00 9.71 C ATOM 334 CD1 PHE A 34 -8.779 21.312 -0.211 1.00 8.79 C ATOM 335 CD2 PHE A 34 -8.910 20.196 1.879 1.00 9.14 C ATOM 336 CE1 PHE A 34 -7.406 21.389 -0.106 1.00 9.40 C ATOM 337 CE2 PHE A 34 -7.523 20.291 2.005 1.00 9.28 C ATOM 338 CZ PHE A 34 -6.776 20.885 1.013 1.00 8.23 C ATOM 339 HA PHE A 34 -12.524 19.370 -0.289 1.00 0.00 H ATOM 340 HB2 PHE A 34 -11.466 21.589 0.488 1.00 0.00 H ATOM 341 HB3 PHE A 34 -11.459 20.157 1.543 1.00 0.00 H ATOM 342 HD2 PHE A 34 -9.494 19.723 2.668 1.00 0.00 H ATOM 343 HE2 PHE A 34 -7.030 19.893 2.892 1.00 0.00 H ATOM 344 HZ PHE A 34 -5.693 20.957 1.111 1.00 0.00 H ATOM 345 HE1 PHE A 34 -6.821 21.846 -0.904 1.00 0.00 H ATOM 346 HD1 PHE A 34 -9.272 21.746 -1.081 1.00 0.00 H ATOM 347 H PHE A 34 -9.982 18.642 -1.588 1.00 0.00 H ATOM 348 N ASP A 35 -12.474 21.437 -2.002 1.00 12.01 N ATOM 349 CA ASP A 35 -12.399 22.479 -3.002 1.00 12.59 C ATOM 350 C ASP A 35 -11.209 23.375 -2.629 1.00 11.22 C ATOM 351 O ASP A 35 -11.186 23.936 -1.542 1.00 11.26 O ATOM 352 CB ASP A 35 -13.708 23.278 -2.939 1.00 13.46 C ATOM 353 CG ASP A 35 -13.983 24.069 -4.180 1.00 18.86 C ATOM 354 OD1 ASP A 35 -13.058 24.298 -4.976 1.00 24.87 O ATOM 355 OD2 ASP A 35 -15.131 24.501 -4.445 1.00 24.73 O ATOM 356 HA ASP A 35 -12.265 22.083 -4.009 1.00 0.00 H ATOM 357 HB2 ASP A 35 -14.531 22.581 -2.784 1.00 0.00 H ATOM 358 HB3 ASP A 35 -13.653 23.966 -2.096 1.00 0.00 H ATOM 359 H ASP A 35 -13.296 21.409 -1.365 1.00 0.00 H ATOM 360 N GLY A 36 -10.223 23.445 -3.504 1.00 10.94 N ATOM 361 CA GLY A 36 -9.013 24.212 -3.213 1.00 10.58 C ATOM 362 C GLY A 36 -8.066 24.247 -4.386 1.00 10.20 C ATOM 363 O GLY A 36 -8.496 24.152 -5.554 1.00 11.42 O ATOM 364 HA3 GLY A 36 -8.504 23.756 -2.364 1.00 0.00 H ATOM 365 HA2 GLY A 36 -9.297 25.233 -2.960 1.00 0.00 H ATOM 366 H GLY A 36 -10.308 22.947 -4.413 1.00 0.00 H ATOM 367 N VAL A 37 -6.780 24.378 -4.090 1.00 10.09 N ATOM 368 CA VAL A 37 -5.760 24.471 -5.100 1.00 9.78 C ATOM 369 C VAL A 37 -4.562 23.593 -4.725 1.00 10.23 C ATOM 370 O VAL A 37 -4.145 23.542 -3.570 1.00 11.34 O ATOM 371 CB VAL A 37 -5.296 25.949 -5.260 1.00 9.98 C ATOM 372 CG1 VAL A 37 -4.122 26.093 -6.221 1.00 10.91 C ATOM 373 CG2 VAL A 37 -6.486 26.831 -5.686 1.00 10.92 C ATOM 374 HA VAL A 37 -6.175 24.122 -6.046 1.00 0.00 H ATOM 375 HB VAL A 37 -4.934 26.290 -4.290 1.00 0.00 H ATOM 376 HG11 VAL A 37 -3.277 25.514 -5.849 1.00 0.00 H ATOM 377 HG12 VAL A 37 -4.412 25.724 -7.205 1.00 0.00 H ATOM 378 HG13 VAL A 37 -3.841 27.144 -6.294 1.00 0.00 H ATOM 379 HG21 VAL A 37 -6.880 26.473 -6.637 1.00 0.00 H ATOM 380 HG22 VAL A 37 -7.265 26.779 -4.926 1.00 0.00 H ATOM 381 HG23 VAL A 37 -6.151 27.863 -5.795 1.00 0.00 H ATOM 382 H VAL A 37 -6.498 24.415 -3.090 1.00 0.00 H ATOM 383 N ALA A 38 -4.040 22.878 -5.717 1.00 9.81 N ATOM 384 CA ALA A 38 -2.830 22.102 -5.578 1.00 9.96 C ATOM 385 C ALA A 38 -1.634 22.895 -6.060 1.00 10.43 C ATOM 386 O ALA A 38 -1.669 23.522 -7.136 1.00 11.25 O ATOM 387 CB ALA A 38 -2.944 20.811 -6.345 1.00 10.68 C ATOM 388 HA ALA A 38 -2.689 21.869 -4.523 1.00 0.00 H ATOM 389 HB1 ALA A 38 -3.784 20.233 -5.959 1.00 0.00 H ATOM 390 HB2 ALA A 38 -3.107 21.030 -7.400 1.00 0.00 H ATOM 391 HB3 ALA A 38 -2.024 20.239 -6.229 1.00 0.00 H ATOM 392 H ALA A 38 -4.526 22.878 -6.636 1.00 0.00 H ATOM 393 N LEU A 39 -0.582 22.866 -5.253 1.00 10.10 N ATOM 394 CA LEU A 39 0.716 23.422 -5.577 1.00 10.73 C ATOM 395 C LEU A 39 1.663 22.235 -5.721 1.00 11.44 C ATOM 396 O LEU A 39 1.756 21.386 -4.837 1.00 11.44 O ATOM 397 CB LEU A 39 1.181 24.390 -4.497 1.00 10.86 C ATOM 398 CG LEU A 39 0.195 25.448 -4.023 1.00 9.91 C ATOM 399 CD1 LEU A 39 0.855 26.266 -2.946 1.00 10.88 C ATOM 400 CD2 LEU A 39 -0.274 26.322 -5.161 1.00 10.93 C ATOM 401 HA LEU A 39 0.683 24.001 -6.500 1.00 0.00 H ATOM 402 HB2 LEU A 39 1.465 23.797 -3.628 1.00 0.00 H ATOM 403 HB3 LEU A 39 2.058 24.911 -4.882 1.00 0.00 H ATOM 404 HG LEU A 39 -0.693 24.959 -3.623 1.00 0.00 H ATOM 405 HD21 LEU A 39 0.583 26.826 -5.608 1.00 0.00 H ATOM 406 HD22 LEU A 39 -0.766 25.705 -5.912 1.00 0.00 H ATOM 407 HD23 LEU A 39 -0.976 27.064 -4.782 1.00 0.00 H ATOM 408 HD11 LEU A 39 1.132 25.616 -2.116 1.00 0.00 H ATOM 409 HD12 LEU A 39 1.748 26.743 -3.350 1.00 0.00 H ATOM 410 HD13 LEU A 39 0.161 27.030 -2.595 1.00 0.00 H ATOM 411 H LEU A 39 -0.697 22.413 -4.324 1.00 0.00 H ATOM 412 N TYR A 40 2.336 22.144 -6.867 1.00 12.48 N ATOM 413 CA TYR A 40 3.113 20.958 -7.229 1.00 13.26 C ATOM 414 C TYR A 40 4.620 21.207 -7.218 1.00 14.32 C ATOM 415 O TYR A 40 5.415 20.377 -6.714 1.00 15.14 O ATOM 416 CB TYR A 40 2.688 20.477 -8.627 1.00 13.67 C ATOM 417 CG TYR A 40 1.232 20.095 -8.772 1.00 13.67 C ATOM 418 CD1 TYR A 40 0.808 18.789 -8.492 1.00 14.26 C ATOM 419 CD2 TYR A 40 0.277 21.007 -9.194 1.00 13.00 C ATOM 420 CE1 TYR A 40 -0.507 18.429 -8.620 1.00 14.69 C ATOM 421 CE2 TYR A 40 -1.034 20.644 -9.346 1.00 13.74 C ATOM 422 CZ TYR A 40 -1.429 19.347 -9.059 1.00 14.73 C ATOM 423 OH TYR A 40 -2.757 18.999 -9.194 1.00 18.28 O ATOM 424 HA TYR A 40 2.907 20.197 -6.476 1.00 0.00 H ATOM 425 HB3 TYR A 40 3.291 19.604 -8.879 1.00 0.00 H ATOM 426 HB2 TYR A 40 2.897 21.278 -9.336 1.00 0.00 H ATOM 427 HD2 TYR A 40 0.576 22.033 -9.409 1.00 0.00 H ATOM 428 HE2 TYR A 40 -1.766 21.374 -9.692 1.00 0.00 H ATOM 429 HE1 TYR A 40 -0.821 17.415 -8.374 1.00 0.00 H ATOM 430 HD1 TYR A 40 1.537 18.047 -8.167 1.00 0.00 H ATOM 431 HH TYR A 40 -3.040 19.140 -10.132 1.00 0.00 H ATOM 432 H TYR A 40 2.308 22.946 -7.529 1.00 0.00 H ATOM 433 N ALA A 41 5.031 22.338 -7.796 1.00 14.97 N ATOM 434 CA ALA A 41 6.439 22.685 -7.941 1.00 14.86 C ATOM 435 C ALA A 41 6.759 24.011 -7.304 1.00 14.68 C ATOM 436 O ALA A 41 5.856 24.833 -7.078 1.00 14.22 O ATOM 437 CB ALA A 41 6.813 22.750 -9.439 1.00 15.86 C ATOM 438 HA ALA A 41 7.017 21.911 -7.436 1.00 0.00 H ATOM 439 HB1 ALA A 41 6.632 21.779 -9.900 1.00 0.00 H ATOM 440 HB2 ALA A 41 6.203 23.507 -9.932 1.00 0.00 H ATOM 441 HB3 ALA A 41 7.867 23.010 -9.538 1.00 0.00 H ATOM 442 H ALA A 41 4.316 23.000 -8.158 1.00 0.00 H ATOM 443 N ASN A 42 8.040 24.266 -7.044 1.00 14.86 N ATOM 444 CA ASN A 42 8.457 25.559 -6.533 1.00 15.98 C ATOM 445 C ASN A 42 8.000 26.684 -7.448 1.00 16.34 C ATOM 446 O ASN A 42 7.978 26.531 -8.664 1.00 17.01 O ATOM 447 CB ASN A 42 9.969 25.609 -6.295 1.00 16.03 C ATOM 448 CG ASN A 42 10.388 24.743 -5.123 1.00 17.36 C ATOM 449 OD1 ASN A 42 9.629 24.570 -4.162 1.00 15.00 O ATOM 450 ND2 ASN A 42 11.594 24.190 -5.190 1.00 20.79 N ATOM 451 HA ASN A 42 7.974 25.702 -5.567 1.00 0.00 H ATOM 452 HB2 ASN A 42 10.479 25.258 -7.192 1.00 0.00 H ATOM 453 HB3 ASN A 42 10.260 26.640 -6.093 1.00 0.00 H ATOM 454 HD22 ASN A 42 12.200 24.362 -6.018 1.00 0.00 H ATOM 455 HD21 ASN A 42 11.932 23.585 -4.415 1.00 0.00 H ATOM 456 H ASN A 42 8.753 23.527 -7.210 1.00 0.00 H ATOM 457 N ALA A 43 7.564 27.766 -6.804 1.00 16.55 N ATOM 458 CA ALA A 43 7.023 28.966 -7.428 1.00 16.73 C ATOM 459 C ALA A 43 5.574 28.805 -7.840 1.00 15.61 C ATOM 460 O ALA A 43 5.023 29.727 -8.421 1.00 16.25 O ATOM 461 CB ALA A 43 7.865 29.405 -8.619 1.00 17.60 C ATOM 462 HA ALA A 43 7.062 29.746 -6.668 1.00 0.00 H ATOM 463 HB1 ALA A 43 8.881 29.617 -8.286 1.00 0.00 H ATOM 464 HB2 ALA A 43 7.884 28.608 -9.362 1.00 0.00 H ATOM 465 HB3 ALA A 43 7.430 30.303 -9.058 1.00 0.00 H ATOM 466 H ALA A 43 7.614 27.753 -5.765 1.00 0.00 H ATOM 467 N ASP A 44 4.955 27.649 -7.569 1.00 14.21 N ATOM 468 CA ASP A 44 3.503 27.510 -7.672 1.00 12.75 C ATOM 469 C ASP A 44 2.959 28.281 -6.457 1.00 11.54 C ATOM 470 O ASP A 44 3.549 28.233 -5.359 1.00 11.79 O ATOM 471 CB ASP A 44 3.007 26.058 -7.574 1.00 12.46 C ATOM 472 CG ASP A 44 3.064 25.292 -8.885 1.00 14.21 C ATOM 473 OD1 ASP A 44 3.261 25.883 -9.995 1.00 15.39 O ATOM 474 OD2 ASP A 44 2.851 24.050 -8.903 1.00 13.55 O ATOM 475 HA ASP A 44 3.170 27.876 -8.643 1.00 0.00 H ATOM 476 HB2 ASP A 44 3.624 25.534 -6.844 1.00 0.00 H ATOM 477 HB3 ASP A 44 1.973 26.072 -7.230 1.00 0.00 H ATOM 478 H ASP A 44 5.522 26.828 -7.277 1.00 0.00 H ATOM 479 N TYR A 45 1.856 28.997 -6.653 1.00 10.88 N ATOM 480 CA TYR A 45 1.299 29.851 -5.586 1.00 10.16 C ATOM 481 C TYR A 45 -0.171 30.155 -5.777 1.00 9.83 C ATOM 482 O TYR A 45 -0.724 29.991 -6.854 1.00 9.88 O ATOM 483 CB TYR A 45 2.059 31.181 -5.507 1.00 10.56 C ATOM 484 CG TYR A 45 1.826 32.126 -6.693 1.00 10.83 C ATOM 485 CD1 TYR A 45 0.769 33.039 -6.685 1.00 12.43 C ATOM 486 CD2 TYR A 45 2.649 32.098 -7.813 1.00 12.45 C ATOM 487 CE1 TYR A 45 0.534 33.877 -7.744 1.00 14.21 C ATOM 488 CE2 TYR A 45 2.426 32.962 -8.889 1.00 14.71 C ATOM 489 CZ TYR A 45 1.379 33.848 -8.837 1.00 16.34 C ATOM 490 OH TYR A 45 1.117 34.701 -9.892 1.00 18.81 O ATOM 491 HA TYR A 45 1.413 29.284 -4.662 1.00 0.00 H ATOM 492 HB3 TYR A 45 3.125 30.960 -5.453 1.00 0.00 H ATOM 493 HB2 TYR A 45 1.749 31.695 -4.597 1.00 0.00 H ATOM 494 HD2 TYR A 45 3.479 31.393 -7.853 1.00 0.00 H ATOM 495 HE2 TYR A 45 3.078 32.932 -9.762 1.00 0.00 H ATOM 496 HE1 TYR A 45 -0.314 34.562 -7.724 1.00 0.00 H ATOM 497 HD1 TYR A 45 0.114 33.086 -5.815 1.00 0.00 H ATOM 498 HH TYR A 45 0.330 35.261 -9.674 1.00 0.00 H ATOM 499 H TYR A 45 1.377 28.954 -7.575 1.00 0.00 H ATOM 500 N VAL A 46 -0.780 30.659 -4.705 1.00 8.61 N ATOM 501 CA VAL A 46 -2.048 31.360 -4.760 1.00 8.12 C ATOM 502 C VAL A 46 -1.842 32.694 -4.091 1.00 7.94 C ATOM 503 O VAL A 46 -1.085 32.783 -3.131 1.00 8.16 O ATOM 504 CB VAL A 46 -3.222 30.592 -4.113 1.00 7.96 C ATOM 505 CG1 VAL A 46 -3.576 29.382 -4.950 1.00 9.41 C ATOM 506 CG2 VAL A 46 -2.941 30.185 -2.683 1.00 8.50 C ATOM 507 HA VAL A 46 -2.339 31.470 -5.805 1.00 0.00 H ATOM 508 HB VAL A 46 -4.072 31.274 -4.081 1.00 0.00 H ATOM 509 HG11 VAL A 46 -3.867 29.706 -5.949 1.00 0.00 H ATOM 510 HG12 VAL A 46 -2.711 28.723 -5.018 1.00 0.00 H ATOM 511 HG13 VAL A 46 -4.405 28.849 -4.484 1.00 0.00 H ATOM 512 HG21 VAL A 46 -2.065 29.538 -2.656 1.00 0.00 H ATOM 513 HG22 VAL A 46 -2.755 31.076 -2.083 1.00 0.00 H ATOM 514 HG23 VAL A 46 -3.802 29.650 -2.283 1.00 0.00 H ATOM 515 H VAL A 46 -0.321 30.544 -3.779 1.00 0.00 H ATOM 516 N SER A 47 -2.503 33.741 -4.575 1.00 7.83 N ATOM 517 CA SER A 47 -2.378 35.067 -3.973 1.00 7.99 C ATOM 518 C SER A 47 -3.612 35.918 -4.189 1.00 8.48 C ATOM 519 O SER A 47 -4.392 35.695 -5.104 1.00 8.78 O ATOM 520 CB SER A 47 -1.147 35.801 -4.503 1.00 9.48 C ATOM 521 OG SER A 47 -1.310 36.145 -5.866 1.00 11.30 O ATOM 522 HA SER A 47 -2.265 34.906 -2.901 1.00 0.00 H ATOM 523 HB2 SER A 47 -0.275 35.156 -4.400 1.00 0.00 H ATOM 524 HB3 SER A 47 -0.996 36.710 -3.921 1.00 0.00 H ATOM 525 HG SER A 47 -2.099 36.735 -5.964 1.00 0.00 H ATOM 526 H SER A 47 -3.123 33.614 -5.400 1.00 0.00 H ATOM 527 N TYR A 48 -3.781 36.882 -3.298 1.00 7.83 N ATOM 528 CA TYR A 48 -4.818 37.901 -3.407 1.00 8.09 C ATOM 529 C TYR A 48 -4.410 39.102 -2.557 1.00 8.72 C ATOM 530 O TYR A 48 -3.615 38.983 -1.634 1.00 9.54 O ATOM 531 CB TYR A 48 -6.189 37.310 -2.967 1.00 8.57 C ATOM 532 CG TYR A 48 -6.407 37.306 -1.481 1.00 7.60 C ATOM 533 CD1 TYR A 48 -5.789 36.349 -0.656 1.00 7.61 C ATOM 534 CD2 TYR A 48 -7.157 38.298 -0.857 1.00 6.97 C ATOM 535 CE1 TYR A 48 -5.929 36.389 0.705 1.00 8.30 C ATOM 536 CE2 TYR A 48 -7.311 38.329 0.499 1.00 8.09 C ATOM 537 CZ TYR A 48 -6.671 37.392 1.291 1.00 8.38 C ATOM 538 OH TYR A 48 -6.776 37.410 2.662 1.00 10.11 O ATOM 539 HA TYR A 48 -4.928 38.231 -4.440 1.00 0.00 H ATOM 540 HB3 TYR A 48 -6.250 36.282 -3.325 1.00 0.00 H ATOM 541 HB2 TYR A 48 -6.981 37.901 -3.428 1.00 0.00 H ATOM 542 HD2 TYR A 48 -7.632 39.068 -1.465 1.00 0.00 H ATOM 543 HE2 TYR A 48 -7.939 39.093 0.958 1.00 0.00 H ATOM 544 HE1 TYR A 48 -5.454 35.628 1.325 1.00 0.00 H ATOM 545 HD1 TYR A 48 -5.187 35.561 -1.109 1.00 0.00 H ATOM 546 HH TYR A 48 -6.428 38.270 3.007 1.00 0.00 H ATOM 547 H TYR A 48 -3.142 36.914 -2.478 1.00 0.00 H ATOM 548 N SER A 49 -4.973 40.266 -2.831 1.00 9.21 N ATOM 549 CA SER A 49 -4.695 41.456 -2.073 1.00 9.81 C ATOM 550 C SER A 49 -5.659 41.620 -0.907 1.00 8.85 C ATOM 551 O SER A 49 -6.861 41.520 -1.109 1.00 9.15 O ATOM 552 CB SER A 49 -4.844 42.649 -3.000 1.00 10.64 C ATOM 553 OG SER A 49 -4.178 43.767 -2.408 1.00 12.31 O ATOM 554 HA SER A 49 -3.686 41.384 -1.668 1.00 0.00 H ATOM 555 HB2 SER A 49 -5.901 42.880 -3.137 1.00 0.00 H ATOM 556 HB3 SER A 49 -4.395 42.422 -3.967 1.00 0.00 H ATOM 557 HG SER A 49 -3.220 43.551 -2.284 1.00 0.00 H ATOM 558 H SER A 49 -5.642 40.323 -3.625 1.00 0.00 H ATOM 559 N GLN A 50 -5.138 41.893 0.289 1.00 8.66 N ATOM 560 CA GLN A 50 -5.904 42.044 1.537 1.00 9.21 C ATOM 561 C GLN A 50 -5.632 43.400 2.156 1.00 10.24 C ATOM 562 O GLN A 50 -4.487 43.789 2.295 1.00 10.71 O ATOM 563 CB GLN A 50 -5.456 40.964 2.507 1.00 9.72 C ATOM 564 CG GLN A 50 -6.069 41.014 3.891 1.00 10.19 C ATOM 565 CD GLN A 50 -7.588 40.776 3.882 1.00 11.59 C ATOM 566 OE1 GLN A 50 -8.060 39.744 3.385 1.00 11.78 O ATOM 567 NE2 GLN A 50 -8.347 41.715 4.467 1.00 11.50 N ATOM 568 HA GLN A 50 -6.969 41.957 1.324 1.00 0.00 H ATOM 569 HB2 GLN A 50 -5.704 39.998 2.068 1.00 0.00 H ATOM 570 HB3 GLN A 50 -4.375 41.044 2.619 1.00 0.00 H ATOM 571 HG2 GLN A 50 -5.600 40.247 4.507 1.00 0.00 H ATOM 572 HG3 GLN A 50 -5.873 41.995 4.323 1.00 0.00 H ATOM 573 HE22 GLN A 50 -7.904 42.565 4.870 1.00 0.00 H ATOM 574 HE21 GLN A 50 -9.379 41.593 4.517 1.00 0.00 H ATOM 575 H GLN A 50 -4.106 42.009 0.345 1.00 0.00 H ATOM 576 N TYR A 51 -6.680 44.117 2.543 1.00 10.68 N ATOM 577 CA TYR A 51 -6.522 45.345 3.302 1.00 10.80 C ATOM 578 C TYR A 51 -6.426 44.989 4.777 1.00 10.48 C ATOM 579 O TYR A 51 -7.286 44.312 5.317 1.00 10.76 O ATOM 580 CB TYR A 51 -7.679 46.357 3.117 1.00 11.53 C ATOM 581 CG TYR A 51 -7.389 47.627 3.879 1.00 13.27 C ATOM 582 CD1 TYR A 51 -6.534 48.584 3.362 1.00 13.69 C ATOM 583 CD2 TYR A 51 -7.911 47.832 5.154 1.00 15.29 C ATOM 584 CE1 TYR A 51 -6.225 49.731 4.057 1.00 15.22 C ATOM 585 CE2 TYR A 51 -7.594 48.986 5.867 1.00 15.73 C ATOM 586 CZ TYR A 51 -6.744 49.920 5.311 1.00 16.82 C ATOM 587 OH TYR A 51 -6.406 51.080 5.998 1.00 21.90 O ATOM 588 HA TYR A 51 -5.620 45.830 2.929 1.00 0.00 H ATOM 589 HB3 TYR A 51 -8.605 45.918 3.488 1.00 0.00 H ATOM 590 HB2 TYR A 51 -7.788 46.590 2.058 1.00 0.00 H ATOM 591 HD2 TYR A 51 -8.571 47.086 5.596 1.00 0.00 H ATOM 592 HE2 TYR A 51 -8.015 49.150 6.859 1.00 0.00 H ATOM 593 HE1 TYR A 51 -5.573 50.483 3.613 1.00 0.00 H ATOM 594 HD1 TYR A 51 -6.093 48.425 2.378 1.00 0.00 H ATOM 595 HH TYR A 51 -5.960 50.840 6.849 1.00 0.00 H ATOM 596 H TYR A 51 -7.637 43.792 2.297 1.00 0.00 H ATOM 597 N PHE A 52 -5.370 45.453 5.448 1.00 9.90 N ATOM 598 CA PHE A 52 -5.250 45.304 6.894 1.00 10.67 C ATOM 599 C PHE A 52 -5.349 46.635 7.649 1.00 11.24 C ATOM 600 O PHE A 52 -4.554 47.563 7.410 1.00 13.13 O ATOM 601 CB PHE A 52 -3.899 44.701 7.246 1.00 10.06 C ATOM 602 CG PHE A 52 -3.730 43.260 6.866 1.00 10.26 C ATOM 603 CD1 PHE A 52 -4.484 42.254 7.459 1.00 10.91 C ATOM 604 CD2 PHE A 52 -2.746 42.896 5.957 1.00 10.73 C ATOM 605 CE1 PHE A 52 -4.258 40.921 7.139 1.00 11.04 C ATOM 606 CE2 PHE A 52 -2.524 41.580 5.623 1.00 11.21 C ATOM 607 CZ PHE A 52 -3.254 40.586 6.216 1.00 11.80 C ATOM 608 HA PHE A 52 -6.079 44.663 7.193 1.00 0.00 H ATOM 609 HB2 PHE A 52 -3.128 45.278 6.736 1.00 0.00 H ATOM 610 HB3 PHE A 52 -3.761 44.785 8.324 1.00 0.00 H ATOM 611 HD2 PHE A 52 -2.134 43.672 5.497 1.00 0.00 H ATOM 612 HE2 PHE A 52 -1.764 41.328 4.883 1.00 0.00 H ATOM 613 HZ PHE A 52 -3.058 39.542 5.974 1.00 0.00 H ATOM 614 HE1 PHE A 52 -4.858 40.138 7.603 1.00 0.00 H ATOM 615 HD1 PHE A 52 -5.259 42.513 8.181 1.00 0.00 H ATOM 616 H PHE A 52 -4.611 45.935 4.925 1.00 0.00 H ATOM 617 N ALA A 53 -6.277 46.696 8.601 1.00 11.56 N ATOM 618 CA ALA A 53 -6.328 47.790 9.549 1.00 13.04 C ATOM 619 C ALA A 53 -5.405 47.508 10.713 1.00 13.33 C ATOM 620 O ALA A 53 -4.959 48.440 11.387 1.00 15.36 O ATOM 621 CB ALA A 53 -7.766 48.007 10.041 1.00 14.25 C ATOM 622 HA ALA A 53 -5.996 48.702 9.052 1.00 0.00 H ATOM 623 HB1 ALA A 53 -8.407 48.243 9.192 1.00 0.00 H ATOM 624 HB2 ALA A 53 -8.123 47.099 10.527 1.00 0.00 H ATOM 625 HB3 ALA A 53 -7.785 48.833 10.752 1.00 0.00 H ATOM 626 H ALA A 53 -6.985 45.937 8.666 1.00 0.00 H ATOM 627 N ASN A 54 -5.105 46.236 10.929 1.00 13.57 N ATOM 628 CA ASN A 54 -4.382 45.786 12.116 1.00 13.55 C ATOM 629 C ASN A 54 -3.112 45.058 11.696 1.00 12.58 C ATOM 630 O ASN A 54 -3.068 44.431 10.645 1.00 11.94 O ATOM 631 CB ASN A 54 -5.255 44.829 12.937 1.00 14.28 C ATOM 632 CG ASN A 54 -6.545 45.472 13.410 1.00 16.22 C ATOM 633 OD1 ASN A 54 -6.519 46.486 14.111 1.00 19.87 O ATOM 634 ND2 ASN A 54 -7.677 44.918 12.991 1.00 20.18 N ATOM 635 HA ASN A 54 -4.130 46.656 12.722 1.00 0.00 H ATOM 636 HB2 ASN A 54 -5.502 43.965 12.320 1.00 0.00 H ATOM 637 HB3 ASN A 54 -4.689 44.501 13.809 1.00 0.00 H ATOM 638 HD22 ASN A 54 -7.650 44.062 12.401 1.00 0.00 H ATOM 639 HD21 ASN A 54 -8.591 45.340 13.253 1.00 0.00 H ATOM 640 H ASN A 54 -5.396 45.529 10.225 1.00 0.00 H ATOM 641 N SER A 55 -2.083 45.120 12.539 1.00 12.12 N ATOM 642 CA SER A 55 -0.749 44.580 12.243 1.00 11.78 C ATOM 643 C SER A 55 -0.540 43.108 12.593 1.00 11.31 C ATOM 644 O SER A 55 0.358 42.499 12.068 1.00 10.89 O ATOM 645 CB SER A 55 0.300 45.371 13.031 1.00 11.34 C ATOM 646 OG SER A 55 0.217 45.120 14.425 1.00 12.11 O ATOM 647 HA SER A 55 -0.650 44.671 11.161 1.00 0.00 H ATOM 648 HB2 SER A 55 0.145 46.435 12.855 1.00 0.00 H ATOM 649 HB3 SER A 55 1.292 45.087 12.680 1.00 0.00 H ATOM 650 HG SER A 55 0.364 44.156 14.595 1.00 0.00 H ATOM 651 H SER A 55 -2.232 45.577 13.461 1.00 0.00 H ATOM 652 N THR A 56 -1.343 42.546 13.498 1.00 10.81 N ATOM 653 CA THR A 56 -1.033 41.270 14.114 1.00 11.36 C ATOM 654 C THR A 56 -2.221 40.341 14.139 1.00 11.49 C ATOM 655 O THR A 56 -3.288 40.715 14.612 1.00 12.49 O ATOM 656 CB THR A 56 -0.568 41.518 15.546 1.00 11.31 C ATOM 657 OG1 THR A 56 0.535 42.427 15.529 1.00 12.48 O ATOM 658 CG2 THR A 56 -0.057 40.256 16.174 1.00 11.45 C ATOM 659 HA THR A 56 -0.253 40.793 13.520 1.00 0.00 H ATOM 660 HB THR A 56 -1.419 41.906 16.106 1.00 0.00 H ATOM 661 HG1 THR A 56 1.275 42.036 15.001 1.00 0.00 H ATOM 662 HG23 THR A 56 -0.860 39.520 16.214 1.00 0.00 H ATOM 663 HG21 THR A 56 0.767 39.863 15.579 1.00 0.00 H ATOM 664 HG22 THR A 56 0.292 40.470 17.184 1.00 0.00 H ATOM 665 H THR A 56 -2.218 43.038 13.770 1.00 0.00 H ATOM 666 N HIS A 57 -2.050 39.142 13.583 1.00 11.74 N ATOM 667 CA HIS A 57 -3.137 38.182 13.432 1.00 12.04 C ATOM 668 C HIS A 57 -2.684 36.778 13.762 1.00 12.63 C ATOM 669 O HIS A 57 -1.530 36.432 13.593 1.00 12.69 O ATOM 670 CB HIS A 57 -3.658 38.169 11.991 1.00 12.18 C ATOM 671 CG HIS A 57 -4.343 39.430 11.612 1.00 11.72 C ATOM 672 ND1 HIS A 57 -3.669 40.505 11.083 1.00 11.26 N ATOM 673 CD2 HIS A 57 -5.639 39.805 11.713 1.00 12.39 C ATOM 674 CE1 HIS A 57 -4.516 41.500 10.898 1.00 12.29 C ATOM 675 NE2 HIS A 57 -5.725 41.098 11.265 1.00 12.85 N ATOM 676 HA HIS A 57 -3.922 38.493 14.121 1.00 0.00 H ATOM 677 HB2 HIS A 57 -2.815 38.015 11.318 1.00 0.00 H ATOM 678 HB3 HIS A 57 -4.363 37.344 11.883 1.00 0.00 H ATOM 679 HD2 HIS A 57 -6.462 39.193 12.082 1.00 0.00 H ATOM 680 HE1 HIS A 57 -4.264 42.487 10.509 1.00 0.00 H ATOM 681 H HIS A 57 -1.103 38.880 13.243 1.00 0.00 H ATOM 682 N ASN A 58 -3.630 35.973 14.209 1.00 13.35 N ATOM 683 CA ASN A 58 -3.458 34.529 14.186 1.00 13.20 C ATOM 684 C ASN A 58 -3.881 34.082 12.801 1.00 12.71 C ATOM 685 O ASN A 58 -4.925 34.493 12.323 1.00 13.58 O ATOM 686 CB ASN A 58 -4.326 33.888 15.270 1.00 14.47 C ATOM 687 CG ASN A 58 -3.877 34.298 16.656 1.00 16.23 C ATOM 688 OD1 ASN A 58 -2.674 34.305 16.949 1.00 17.32 O ATOM 689 ND2 ASN A 58 -4.825 34.725 17.487 1.00 21.70 N ATOM 690 HA ASN A 58 -2.429 34.232 14.388 1.00 0.00 H ATOM 691 HB2 ASN A 58 -5.360 34.200 15.126 1.00 0.00 H ATOM 692 HB3 ASN A 58 -4.259 32.804 15.182 1.00 0.00 H ATOM 693 HD22 ASN A 58 -5.823 34.699 17.195 1.00 0.00 H ATOM 694 HD21 ASN A 58 -4.568 35.084 18.428 1.00 0.00 H ATOM 695 H ASN A 58 -4.512 36.378 14.583 1.00 0.00 H ATOM 696 N ILE A 59 -3.057 33.274 12.130 1.00 10.88 N ATOM 697 CA ILE A 59 -3.348 32.919 10.753 1.00 11.05 C ATOM 698 C ILE A 59 -3.406 31.418 10.627 1.00 10.51 C ATOM 699 O ILE A 59 -2.477 30.729 11.014 1.00 12.16 O ATOM 700 CB ILE A 59 -2.282 33.515 9.816 1.00 10.73 C ATOM 701 CG1 ILE A 59 -2.085 35.005 10.134 1.00 12.67 C ATOM 702 CG2 ILE A 59 -2.642 33.237 8.353 1.00 10.42 C ATOM 703 CD1 ILE A 59 -0.956 35.661 9.377 1.00 12.41 C ATOM 704 HA ILE A 59 -4.315 33.331 10.463 1.00 0.00 H ATOM 705 HB ILE A 59 -1.319 33.032 9.984 1.00 0.00 H ATOM 706 HG12 ILE A 59 -3.009 35.530 9.892 1.00 0.00 H ATOM 707 HG13 ILE A 59 -1.882 35.102 11.201 1.00 0.00 H ATOM 708 HD11 ILE A 59 -0.019 35.158 9.616 1.00 0.00 H ATOM 709 HD12 ILE A 59 -1.147 35.587 8.306 1.00 0.00 H ATOM 710 HD13 ILE A 59 -0.890 36.711 9.663 1.00 0.00 H ATOM 711 HG21 ILE A 59 -2.696 32.160 8.192 1.00 0.00 H ATOM 712 HG22 ILE A 59 -3.608 33.688 8.126 1.00 0.00 H ATOM 713 HG23 ILE A 59 -1.878 33.665 7.704 1.00 0.00 H ATOM 714 H ILE A 59 -2.206 32.898 12.594 1.00 0.00 H ATOM 715 N SER A 60 -4.529 30.935 10.108 1.00 10.31 N ATOM 716 CA SER A 60 -4.744 29.500 9.922 1.00 10.28 C ATOM 717 C SER A 60 -4.900 29.167 8.442 1.00 9.55 C ATOM 718 O SER A 60 -5.537 29.914 7.684 1.00 9.21 O ATOM 719 CB SER A 60 -5.988 29.048 10.692 1.00 11.42 C ATOM 720 OG SER A 60 -5.820 29.201 12.101 1.00 15.79 O ATOM 721 HA SER A 60 -3.873 28.970 10.308 1.00 0.00 H ATOM 722 HB2 SER A 60 -6.179 27.998 10.470 1.00 0.00 H ATOM 723 HB3 SER A 60 -6.840 29.647 10.370 1.00 0.00 H ATOM 724 HG SER A 60 -5.051 28.655 12.402 1.00 0.00 H ATOM 725 H SER A 60 -5.279 31.598 9.825 1.00 0.00 H ATOM 726 N VAL A 61 -4.336 28.034 8.030 1.00 8.99 N ATOM 727 CA VAL A 61 -4.576 27.494 6.691 1.00 8.48 C ATOM 728 C VAL A 61 -4.989 26.047 6.832 1.00 8.28 C ATOM 729 O VAL A 61 -4.323 25.277 7.539 1.00 7.25 O ATOM 730 CB VAL A 61 -3.311 27.625 5.788 1.00 8.56 C ATOM 731 CG1 VAL A 61 -3.468 26.854 4.499 1.00 8.13 C ATOM 732 CG2 VAL A 61 -3.058 29.089 5.466 1.00 9.18 C ATOM 733 HA VAL A 61 -5.369 28.064 6.206 1.00 0.00 H ATOM 734 HB VAL A 61 -2.466 27.209 6.337 1.00 0.00 H ATOM 735 HG11 VAL A 61 -3.623 25.799 4.725 1.00 0.00 H ATOM 736 HG12 VAL A 61 -4.326 27.239 3.949 1.00 0.00 H ATOM 737 HG13 VAL A 61 -2.567 26.969 3.896 1.00 0.00 H ATOM 738 HG21 VAL A 61 -3.921 29.498 4.941 1.00 0.00 H ATOM 739 HG22 VAL A 61 -2.899 29.641 6.392 1.00 0.00 H ATOM 740 HG23 VAL A 61 -2.173 29.173 4.835 1.00 0.00 H ATOM 741 H VAL A 61 -3.707 27.518 8.678 1.00 0.00 H ATOM 742 N ARG A 62 -6.105 25.669 6.203 1.00 7.92 N ATOM 743 CA ARG A 62 -6.472 24.263 6.083 1.00 7.78 C ATOM 744 C ARG A 62 -5.816 23.726 4.809 1.00 7.54 C ATOM 745 O ARG A 62 -5.884 24.366 3.760 1.00 7.28 O ATOM 746 CB ARG A 62 -7.992 24.083 6.036 1.00 8.37 C ATOM 747 CG ARG A 62 -8.425 22.648 6.056 1.00 8.69 C ATOM 748 CD ARG A 62 -9.904 22.485 6.406 1.00 10.56 C ATOM 749 NE ARG A 62 -10.322 21.087 6.634 1.00 11.56 N ATOM 750 CZ ARG A 62 -10.962 20.336 5.762 1.00 11.14 C ATOM 751 NH1 ARG A 62 -11.229 20.767 4.552 1.00 12.58 N ATOM 752 NH2 ARG A 62 -11.329 19.109 6.106 1.00 13.59 N ATOM 753 HA ARG A 62 -6.123 23.709 6.955 1.00 0.00 H ATOM 754 HB2 ARG A 62 -8.426 24.587 6.900 1.00 0.00 H ATOM 755 HB3 ARG A 62 -8.366 24.544 5.122 1.00 0.00 H ATOM 756 HG2 ARG A 62 -8.250 22.216 5.071 1.00 0.00 H ATOM 757 HG3 ARG A 62 -7.830 22.114 6.797 1.00 0.00 H ATOM 758 HD2 ARG A 62 -10.496 22.890 5.585 1.00 0.00 H ATOM 759 HD3 ARG A 62 -10.106 23.055 7.313 1.00 0.00 H ATOM 760 HE ARG A 62 -10.093 20.662 7.555 1.00 0.00 H ATOM 761 HH12 ARG A 62 -11.736 20.154 3.882 1.00 0.00 H ATOM 762 HH11 ARG A 62 -10.934 21.721 4.263 1.00 0.00 H ATOM 763 HH22 ARG A 62 -11.835 18.507 5.425 1.00 0.00 H ATOM 764 HH21 ARG A 62 -11.111 18.748 7.057 1.00 0.00 H ATOM 765 H ARG A 62 -6.726 26.394 5.790 1.00 0.00 H ATOM 766 N GLY A 63 -5.189 22.565 4.928 1.00 6.54 N ATOM 767 CA GLY A 63 -4.485 21.957 3.824 1.00 6.51 C ATOM 768 C GLY A 63 -4.200 20.503 4.039 1.00 6.99 C ATOM 769 O GLY A 63 -4.611 19.908 5.020 1.00 8.28 O ATOM 770 HA3 GLY A 63 -3.539 22.480 3.686 1.00 0.00 H ATOM 771 HA2 GLY A 63 -5.092 22.063 2.925 1.00 0.00 H ATOM 772 H GLY A 63 -5.204 22.076 5.846 1.00 0.00 H ATOM 773 N ALA A 64 -3.493 19.917 3.087 1.00 7.37 N ATOM 774 CA ALA A 64 -3.125 18.520 3.152 1.00 7.45 C ATOM 775 C ALA A 64 -1.898 18.258 2.310 1.00 7.43 C ATOM 776 O ALA A 64 -1.522 19.060 1.459 1.00 8.33 O ATOM 777 CB ALA A 64 -4.266 17.649 2.714 1.00 8.38 C ATOM 778 HA ALA A 64 -2.890 18.274 4.188 1.00 0.00 H ATOM 779 HB1 ALA A 64 -5.122 17.819 3.367 1.00 0.00 H ATOM 780 HB2 ALA A 64 -4.536 17.895 1.687 1.00 0.00 H ATOM 781 HB3 ALA A 64 -3.966 16.603 2.771 1.00 0.00 H ATOM 782 H ALA A 64 -3.192 20.479 2.265 1.00 0.00 H ATOM 783 N SER A 65 -1.235 17.147 2.566 1.00 8.68 N ATOM 784 CA SER A 65 -0.236 16.648 1.644 1.00 9.19 C ATOM 785 C SER A 65 -0.882 15.706 0.604 1.00 9.42 C ATOM 786 O SER A 65 -1.946 15.134 0.835 1.00 9.43 O ATOM 787 CB SER A 65 0.815 15.879 2.432 1.00 9.48 C ATOM 788 OG SER A 65 1.806 15.364 1.559 1.00 9.99 O ATOM 789 HA SER A 65 0.219 17.488 1.119 1.00 0.00 H ATOM 790 HB2 SER A 65 0.337 15.054 2.960 1.00 0.00 H ATOM 791 HB3 SER A 65 1.284 16.548 3.154 1.00 0.00 H ATOM 792 HG SER A 65 2.482 14.867 2.085 1.00 0.00 H ATOM 793 H SER A 65 -1.432 16.622 3.442 1.00 0.00 H ATOM 794 N SER A 66 -0.212 15.528 -0.528 1.00 10.31 N ATOM 795 CA SER A 66 -0.617 14.538 -1.511 1.00 10.92 C ATOM 796 C SER A 66 -0.296 13.124 -1.065 1.00 10.86 C ATOM 797 O SER A 66 -0.811 12.163 -1.628 1.00 12.68 O ATOM 798 CB SER A 66 0.078 14.834 -2.841 1.00 11.60 C ATOM 799 OG SER A 66 1.471 14.728 -2.693 1.00 12.11 O ATOM 800 HA SER A 66 -1.699 14.603 -1.627 1.00 0.00 H ATOM 801 HB2 SER A 66 -0.175 15.844 -3.163 1.00 0.00 H ATOM 802 HB3 SER A 66 -0.260 14.120 -3.592 1.00 0.00 H ATOM 803 HG SER A 66 1.909 14.922 -3.559 1.00 0.00 H ATOM 804 H SER A 66 0.626 16.114 -0.716 1.00 0.00 H ATOM 805 N ASN A 67 0.561 12.996 -0.063 1.00 10.87 N ATOM 806 CA ASN A 67 0.943 11.663 0.402 1.00 11.73 C ATOM 807 C ASN A 67 1.346 11.689 1.868 1.00 12.56 C ATOM 808 O ASN A 67 1.034 12.628 2.611 1.00 12.05 O ATOM 809 CB ASN A 67 2.043 11.111 -0.496 1.00 11.98 C ATOM 810 CG ASN A 67 3.260 11.992 -0.558 1.00 11.66 C ATOM 811 OD1 ASN A 67 3.614 12.674 0.406 1.00 11.85 O ATOM 812 ND2 ASN A 67 3.910 12.004 -1.738 1.00 11.76 N ATOM 813 HA ASN A 67 0.085 10.994 0.335 1.00 0.00 H ATOM 814 HB2 ASN A 67 2.342 10.134 -0.116 1.00 0.00 H ATOM 815 HB3 ASN A 67 1.644 11.001 -1.504 1.00 0.00 H ATOM 816 HD22 ASN A 67 3.573 11.411 -2.523 1.00 0.00 H ATOM 817 HD21 ASN A 67 4.748 12.606 -1.864 1.00 0.00 H ATOM 818 H ASN A 67 0.961 13.841 0.392 1.00 0.00 H ATOM 819 N ALA A 68 2.014 10.646 2.318 1.00 14.34 N ATOM 820 CA ALA A 68 2.362 10.539 3.706 1.00 14.52 C ATOM 821 C ALA A 68 3.419 11.533 4.164 1.00 14.48 C ATOM 822 O ALA A 68 3.635 11.673 5.356 1.00 17.80 O ATOM 823 CB ALA A 68 2.813 9.118 3.986 1.00 14.97 C ATOM 824 HA ALA A 68 1.469 10.788 4.280 1.00 0.00 H ATOM 825 HB1 ALA A 68 2.002 8.428 3.753 1.00 0.00 H ATOM 826 HB2 ALA A 68 3.680 8.885 3.367 1.00 0.00 H ATOM 827 HB3 ALA A 68 3.080 9.024 5.038 1.00 0.00 H ATOM 828 H ALA A 68 2.292 9.891 1.659 1.00 0.00 H ATOM 829 N GLY A 69 4.111 12.177 3.211 1.00 14.27 N ATOM 830 CA GLY A 69 5.090 13.199 3.445 1.00 13.58 C ATOM 831 C GLY A 69 4.511 14.528 3.906 1.00 12.80 C ATOM 832 O GLY A 69 3.302 14.702 3.998 1.00 12.29 O ATOM 833 HA3 GLY A 69 5.636 13.368 2.517 1.00 0.00 H ATOM 834 HA2 GLY A 69 5.779 12.843 4.211 1.00 0.00 H ATOM 835 H GLY A 69 3.922 11.914 2.223 1.00 0.00 H ATOM 836 N THR A 70 5.414 15.418 4.270 1.00 13.61 N ATOM 837 CA THR A 70 5.097 16.712 4.867 1.00 13.50 C ATOM 838 C THR A 70 5.232 17.817 3.812 1.00 13.42 C ATOM 839 O THR A 70 6.337 18.183 3.394 1.00 14.89 O ATOM 840 CB THR A 70 6.048 17.019 6.018 1.00 14.16 C ATOM 841 OG1 THR A 70 5.961 15.998 7.033 1.00 14.95 O ATOM 842 CG2 THR A 70 5.653 18.304 6.719 1.00 14.74 C ATOM 843 HA THR A 70 4.075 16.673 5.243 1.00 0.00 H ATOM 844 HB THR A 70 7.046 17.084 5.584 1.00 0.00 H ATOM 845 HG1 THR A 70 5.035 15.959 7.382 1.00 0.00 H ATOM 846 HG23 THR A 70 5.695 19.131 6.010 1.00 0.00 H ATOM 847 HG21 THR A 70 4.639 18.208 7.108 1.00 0.00 H ATOM 848 HG22 THR A 70 6.342 18.494 7.542 1.00 0.00 H ATOM 849 H THR A 70 6.416 15.183 4.122 1.00 0.00 H ATOM 850 N ALA A 71 4.093 18.334 3.385 1.00 12.13 N ATOM 851 CA ALA A 71 4.031 19.433 2.429 1.00 11.63 C ATOM 852 C ALA A 71 4.219 20.740 3.184 1.00 12.27 C ATOM 853 O ALA A 71 3.594 20.967 4.189 1.00 13.98 O ATOM 854 CB ALA A 71 2.714 19.411 1.695 1.00 11.53 C ATOM 855 HA ALA A 71 4.821 19.331 1.685 1.00 0.00 H ATOM 856 HB1 ALA A 71 2.613 18.466 1.161 1.00 0.00 H ATOM 857 HB2 ALA A 71 1.899 19.514 2.411 1.00 0.00 H ATOM 858 HB3 ALA A 71 2.682 20.237 0.985 1.00 0.00 H ATOM 859 H ALA A 71 3.201 17.939 3.747 1.00 0.00 H ATOM 860 N LYS A 72 5.070 21.614 2.684 1.00 11.71 N ATOM 861 CA LYS A 72 5.380 22.871 3.357 1.00 12.31 C ATOM 862 C LYS A 72 4.997 24.027 2.454 1.00 11.54 C ATOM 863 O LYS A 72 5.368 24.048 1.285 1.00 11.69 O ATOM 864 CB LYS A 72 6.876 22.960 3.635 1.00 13.54 C ATOM 865 CG LYS A 72 7.288 24.191 4.366 1.00 17.13 C ATOM 866 CD LYS A 72 8.711 24.043 4.902 1.00 21.58 C ATOM 867 CE LYS A 72 9.202 25.306 5.561 1.00 25.68 C ATOM 868 NZ LYS A 72 10.271 25.931 4.749 1.00 29.65 N ATOM 869 HA LYS A 72 4.826 22.915 4.295 1.00 0.00 H ATOM 870 HB2 LYS A 72 7.165 22.095 4.231 1.00 0.00 H ATOM 871 HB3 LYS A 72 7.403 22.935 2.681 1.00 0.00 H ATOM 872 HG2 LYS A 72 7.247 25.043 3.687 1.00 0.00 H ATOM 873 HG3 LYS A 72 6.606 24.359 5.199 1.00 0.00 H ATOM 874 HD2 LYS A 72 8.729 23.235 5.633 1.00 0.00 H ATOM 875 HD3 LYS A 72 9.375 23.797 4.074 1.00 0.00 H ATOM 876 HE2 LYS A 72 9.595 25.066 6.549 1.00 0.00 H ATOM 877 HE3 LYS A 72 8.372 26.005 5.661 1.00 0.00 H ATOM 878 HZ1 LYS A 72 11.066 25.267 4.654 1.00 0.00 H ATOM 879 HZ2 LYS A 72 9.898 26.163 3.807 1.00 0.00 H ATOM 880 HZ3 LYS A 72 10.598 26.800 5.218 1.00 0.00 H ATOM 881 H LYS A 72 5.536 21.400 1.779 1.00 0.00 H ATOM 882 N VAL A 73 4.249 24.980 2.993 1.00 10.64 N ATOM 883 CA VAL A 73 3.741 26.125 2.254 1.00 10.97 C ATOM 884 C VAL A 73 4.186 27.410 2.962 1.00 10.44 C ATOM 885 O VAL A 73 3.888 27.590 4.115 1.00 11.37 O ATOM 886 CB VAL A 73 2.194 26.055 2.191 1.00 11.31 C ATOM 887 CG1 VAL A 73 1.651 27.206 1.409 1.00 13.40 C ATOM 888 CG2 VAL A 73 1.736 24.680 1.606 1.00 12.19 C ATOM 889 HA VAL A 73 4.133 26.119 1.237 1.00 0.00 H ATOM 890 HB VAL A 73 1.791 26.130 3.201 1.00 0.00 H ATOM 891 HG11 VAL A 73 1.945 28.140 1.888 1.00 0.00 H ATOM 892 HG12 VAL A 73 2.050 27.175 0.395 1.00 0.00 H ATOM 893 HG13 VAL A 73 0.564 27.140 1.376 1.00 0.00 H ATOM 894 HG21 VAL A 73 2.139 24.562 0.600 1.00 0.00 H ATOM 895 HG22 VAL A 73 2.103 23.875 2.243 1.00 0.00 H ATOM 896 HG23 VAL A 73 0.647 24.647 1.569 1.00 0.00 H ATOM 897 H VAL A 73 4.012 24.904 4.003 1.00 0.00 H ATOM 898 N ASP A 74 4.902 28.292 2.263 1.00 9.89 N ATOM 899 CA ASP A 74 5.297 29.585 2.789 1.00 10.40 C ATOM 900 C ASP A 74 4.166 30.590 2.739 1.00 9.93 C ATOM 901 O ASP A 74 3.421 30.602 1.762 1.00 10.95 O ATOM 902 CB ASP A 74 6.466 30.166 1.983 1.00 11.86 C ATOM 903 CG ASP A 74 7.805 29.520 2.318 1.00 15.21 C ATOM 904 OD1 ASP A 74 7.858 28.687 3.256 1.00 18.45 O ATOM 905 OD2 ASP A 74 8.845 29.792 1.660 1.00 18.39 O ATOM 906 HA ASP A 74 5.587 29.415 3.826 1.00 0.00 H ATOM 907 HB2 ASP A 74 6.264 30.016 0.922 1.00 0.00 H ATOM 908 HB3 ASP A 74 6.534 31.234 2.191 1.00 0.00 H ATOM 909 H ASP A 74 5.191 28.041 1.296 1.00 0.00 H ATOM 910 N LEU A 75 4.061 31.397 3.796 1.00 8.87 N ATOM 911 CA LEU A 75 3.152 32.529 3.855 1.00 9.48 C ATOM 912 C LEU A 75 3.950 33.807 3.645 1.00 8.56 C ATOM 913 O LEU A 75 4.880 34.098 4.410 1.00 8.88 O ATOM 914 CB LEU A 75 2.387 32.589 5.170 1.00 10.80 C ATOM 915 CG LEU A 75 1.509 33.828 5.351 1.00 12.09 C ATOM 916 CD1 LEU A 75 0.387 33.895 4.318 1.00 12.44 C ATOM 917 CD2 LEU A 75 0.974 33.847 6.780 1.00 13.83 C ATOM 918 HA LEU A 75 2.407 32.414 3.067 1.00 0.00 H ATOM 919 HB2 LEU A 75 1.747 31.709 5.230 1.00 0.00 H ATOM 920 HB3 LEU A 75 3.111 32.566 5.984 1.00 0.00 H ATOM 921 HG LEU A 75 2.114 34.719 5.184 1.00 0.00 H ATOM 922 HD21 LEU A 75 0.385 32.947 6.958 1.00 0.00 H ATOM 923 HD22 LEU A 75 1.810 33.880 7.479 1.00 0.00 H ATOM 924 HD23 LEU A 75 0.346 34.727 6.920 1.00 0.00 H ATOM 925 HD11 LEU A 75 0.818 33.928 3.317 1.00 0.00 H ATOM 926 HD12 LEU A 75 -0.246 33.013 4.414 1.00 0.00 H ATOM 927 HD13 LEU A 75 -0.209 34.792 4.488 1.00 0.00 H ATOM 928 H LEU A 75 4.662 31.206 4.623 1.00 0.00 H ATOM 929 N VAL A 76 3.572 34.556 2.617 1.00 7.81 N ATOM 930 CA VAL A 76 4.273 35.766 2.213 1.00 8.36 C ATOM 931 C VAL A 76 3.255 36.900 2.255 1.00 8.22 C ATOM 932 O VAL A 76 2.189 36.791 1.638 1.00 10.02 O ATOM 933 CB VAL A 76 4.850 35.611 0.779 1.00 8.44 C ATOM 934 CG1 VAL A 76 5.831 36.728 0.464 1.00 9.41 C ATOM 935 CG2 VAL A 76 5.478 34.260 0.615 1.00 9.05 C ATOM 936 HA VAL A 76 5.112 35.968 2.879 1.00 0.00 H ATOM 937 HB VAL A 76 4.032 35.690 0.063 1.00 0.00 H ATOM 938 HG11 VAL A 76 5.321 37.689 0.535 1.00 0.00 H ATOM 939 HG12 VAL A 76 6.654 36.699 1.178 1.00 0.00 H ATOM 940 HG13 VAL A 76 6.219 36.595 -0.546 1.00 0.00 H ATOM 941 HG21 VAL A 76 6.285 34.146 1.339 1.00 0.00 H ATOM 942 HG22 VAL A 76 4.726 33.489 0.782 1.00 0.00 H ATOM 943 HG23 VAL A 76 5.878 34.167 -0.395 1.00 0.00 H ATOM 944 H VAL A 76 2.734 34.264 2.074 1.00 0.00 H ATOM 945 N ILE A 77 3.566 37.967 2.993 1.00 8.01 N ATOM 946 CA ILE A 77 2.696 39.128 3.132 1.00 7.90 C ATOM 947 C ILE A 77 3.477 40.361 2.703 1.00 9.25 C ATOM 948 O ILE A 77 4.524 40.675 3.276 1.00 9.52 O ATOM 949 CB ILE A 77 2.126 39.268 4.577 1.00 8.65 C ATOM 950 CG1 ILE A 77 1.332 38.006 4.950 1.00 9.62 C ATOM 951 CG2 ILE A 77 1.282 40.542 4.674 1.00 9.42 C ATOM 952 CD1 ILE A 77 0.699 37.983 6.318 1.00 12.11 C ATOM 953 HA ILE A 77 1.824 39.007 2.489 1.00 0.00 H ATOM 954 HB ILE A 77 2.940 39.359 5.296 1.00 0.00 H ATOM 955 HG12 ILE A 77 0.536 37.888 4.215 1.00 0.00 H ATOM 956 HG13 ILE A 77 2.012 37.157 4.886 1.00 0.00 H ATOM 957 HD11 ILE A 77 1.475 38.080 7.078 1.00 0.00 H ATOM 958 HD12 ILE A 77 -0.003 38.812 6.406 1.00 0.00 H ATOM 959 HD13 ILE A 77 0.170 37.040 6.456 1.00 0.00 H ATOM 960 HG21 ILE A 77 1.904 41.407 4.444 1.00 0.00 H ATOM 961 HG22 ILE A 77 0.458 40.486 3.963 1.00 0.00 H ATOM 962 HG23 ILE A 77 0.885 40.637 5.685 1.00 0.00 H ATOM 963 H ILE A 77 4.477 37.970 3.495 1.00 0.00 H ATOM 964 N GLY A 78 3.001 41.038 1.672 1.00 10.01 N ATOM 965 CA GLY A 78 3.746 42.161 1.126 1.00 10.91 C ATOM 966 C GLY A 78 5.120 41.791 0.588 1.00 10.50 C ATOM 967 O GLY A 78 6.038 42.633 0.629 1.00 12.58 O ATOM 968 HA3 GLY A 78 3.875 42.903 1.914 1.00 0.00 H ATOM 969 HA2 GLY A 78 3.165 42.595 0.312 1.00 0.00 H ATOM 970 H GLY A 78 2.090 40.766 1.250 1.00 0.00 H ATOM 971 N GLY A 79 5.285 40.553 0.146 1.00 9.47 N ATOM 972 CA GLY A 79 6.525 40.060 -0.414 1.00 9.33 C ATOM 973 C GLY A 79 7.497 39.512 0.590 1.00 9.29 C ATOM 974 O GLY A 79 8.500 38.950 0.192 1.00 9.95 O ATOM 975 HA3 GLY A 79 7.009 40.882 -0.941 1.00 0.00 H ATOM 976 HA2 GLY A 79 6.286 39.267 -1.122 1.00 0.00 H ATOM 977 H GLY A 79 4.478 39.899 0.205 1.00 0.00 H ATOM 978 N VAL A 80 7.178 39.634 1.870 1.00 8.91 N ATOM 979 CA VAL A 80 8.061 39.191 2.952 1.00 9.10 C ATOM 980 C VAL A 80 7.509 37.915 3.545 1.00 9.25 C ATOM 981 O VAL A 80 6.335 37.846 3.897 1.00 8.81 O ATOM 982 CB VAL A 80 8.195 40.256 4.032 1.00 10.14 C ATOM 983 CG1 VAL A 80 8.979 39.747 5.240 1.00 12.48 C ATOM 984 CG2 VAL A 80 8.845 41.519 3.450 1.00 11.50 C ATOM 985 HA VAL A 80 9.055 39.013 2.542 1.00 0.00 H ATOM 986 HB VAL A 80 7.193 40.504 4.383 1.00 0.00 H ATOM 987 HG11 VAL A 80 8.465 38.887 5.669 1.00 0.00 H ATOM 988 HG12 VAL A 80 9.980 39.453 4.924 1.00 0.00 H ATOM 989 HG13 VAL A 80 9.050 40.539 5.985 1.00 0.00 H ATOM 990 HG21 VAL A 80 9.835 41.272 3.065 1.00 0.00 H ATOM 991 HG22 VAL A 80 8.225 41.905 2.641 1.00 0.00 H ATOM 992 HG23 VAL A 80 8.935 42.273 4.232 1.00 0.00 H ATOM 993 H VAL A 80 6.263 40.062 2.117 1.00 0.00 H ATOM 994 N THR A 81 8.332 36.881 3.611 1.00 8.91 N ATOM 995 CA THR A 81 7.928 35.608 4.192 1.00 9.19 C ATOM 996 C THR A 81 7.864 35.706 5.708 1.00 10.49 C ATOM 997 O THR A 81 8.863 36.026 6.367 1.00 11.90 O ATOM 998 CB THR A 81 8.884 34.504 3.743 1.00 9.46 C ATOM 999 OG1 THR A 81 8.844 34.393 2.314 1.00 11.20 O ATOM 1000 CG2 THR A 81 8.440 33.143 4.230 1.00 10.28 C ATOM 1001 HA THR A 81 6.928 35.357 3.839 1.00 0.00 H ATOM 1002 HB THR A 81 9.865 34.768 4.137 1.00 0.00 H ATOM 1003 HG1 THR A 81 9.463 33.678 2.022 1.00 0.00 H ATOM 1004 HG23 THR A 81 8.439 33.131 5.320 1.00 0.00 H ATOM 1005 HG21 THR A 81 7.435 32.937 3.862 1.00 0.00 H ATOM 1006 HG22 THR A 81 9.127 32.383 3.858 1.00 0.00 H ATOM 1007 H THR A 81 9.297 36.980 3.236 1.00 0.00 H ATOM 1008 N VAL A 82 6.689 35.436 6.265 1.00 10.99 N ATOM 1009 CA VAL A 82 6.440 35.613 7.696 1.00 12.36 C ATOM 1010 C VAL A 82 6.286 34.296 8.446 1.00 11.57 C ATOM 1011 O VAL A 82 6.209 34.281 9.677 1.00 13.93 O ATOM 1012 CB VAL A 82 5.199 36.512 7.934 1.00 13.06 C ATOM 1013 CG1 VAL A 82 5.458 37.938 7.420 1.00 14.89 C ATOM 1014 CG2 VAL A 82 3.911 35.932 7.319 1.00 14.39 C ATOM 1015 HA VAL A 82 7.326 36.105 8.098 1.00 0.00 H ATOM 1016 HB VAL A 82 5.038 36.547 9.011 1.00 0.00 H ATOM 1017 HG11 VAL A 82 6.311 38.364 7.949 1.00 0.00 H ATOM 1018 HG12 VAL A 82 5.671 37.905 6.352 1.00 0.00 H ATOM 1019 HG13 VAL A 82 4.575 38.552 7.597 1.00 0.00 H ATOM 1020 HG21 VAL A 82 4.041 35.823 6.242 1.00 0.00 H ATOM 1021 HG22 VAL A 82 3.705 34.957 7.762 1.00 0.00 H ATOM 1022 HG23 VAL A 82 3.079 36.606 7.519 1.00 0.00 H ATOM 1023 H VAL A 82 5.917 35.086 5.662 1.00 0.00 H ATOM 1024 N GLY A 83 6.251 33.191 7.721 1.00 11.73 N ATOM 1025 CA GLY A 83 6.145 31.893 8.335 1.00 11.81 C ATOM 1026 C GLY A 83 5.790 30.831 7.322 1.00 11.90 C ATOM 1027 O GLY A 83 5.723 31.110 6.159 1.00 11.30 O ATOM 1028 HA3 GLY A 83 5.371 31.925 9.101 1.00 0.00 H ATOM 1029 HA2 GLY A 83 7.100 31.639 8.795 1.00 0.00 H ATOM 1030 H GLY A 83 6.301 33.261 6.685 1.00 0.00 H ATOM 1031 N SER A 84 5.559 29.611 7.789 1.00 12.47 N ATOM 1032 CA SER A 84 5.201 28.496 6.934 1.00 13.58 C ATOM 1033 C SER A 84 4.251 27.575 7.663 1.00 12.39 C ATOM 1034 O SER A 84 4.132 27.606 8.891 1.00 13.62 O ATOM 1035 CB SER A 84 6.416 27.728 6.438 1.00 14.95 C ATOM 1036 OG SER A 84 7.127 27.108 7.480 1.00 19.35 O ATOM 1037 HA SER A 84 4.708 28.905 6.052 1.00 0.00 H ATOM 1038 HB2 SER A 84 7.082 28.422 5.925 1.00 0.00 H ATOM 1039 HB3 SER A 84 6.083 26.962 5.738 1.00 0.00 H ATOM 1040 HG SER A 84 7.905 26.624 7.105 1.00 0.00 H ATOM 1041 H SER A 84 5.638 29.447 8.813 1.00 0.00 H ATOM 1042 N PHE A 85 3.556 26.787 6.863 1.00 10.84 N ATOM 1043 CA PHE A 85 2.568 25.826 7.322 1.00 10.41 C ATOM 1044 C PHE A 85 2.988 24.457 6.809 1.00 11.71 C ATOM 1045 O PHE A 85 3.304 24.304 5.624 1.00 12.86 O ATOM 1046 CB PHE A 85 1.188 26.165 6.753 1.00 10.28 C ATOM 1047 CG PHE A 85 0.639 27.483 7.197 1.00 9.74 C ATOM 1048 CD1 PHE A 85 -0.048 27.617 8.393 1.00 11.14 C ATOM 1049 CD2 PHE A 85 0.765 28.603 6.407 1.00 12.02 C ATOM 1050 CE1 PHE A 85 -0.536 28.842 8.801 1.00 10.69 C ATOM 1051 CE2 PHE A 85 0.261 29.806 6.814 1.00 13.66 C ATOM 1052 CZ PHE A 85 -0.393 29.935 7.982 1.00 12.14 C ATOM 1053 HA PHE A 85 2.510 25.844 8.410 1.00 0.00 H ATOM 1054 HB2 PHE A 85 1.261 26.176 5.666 1.00 0.00 H ATOM 1055 HB3 PHE A 85 0.492 25.385 7.061 1.00 0.00 H ATOM 1056 HD2 PHE A 85 1.273 28.529 5.445 1.00 0.00 H ATOM 1057 HE2 PHE A 85 0.392 30.681 6.177 1.00 0.00 H ATOM 1058 HZ PHE A 85 -0.806 30.900 8.276 1.00 0.00 H ATOM 1059 HE1 PHE A 85 -1.032 28.941 9.767 1.00 0.00 H ATOM 1060 HD1 PHE A 85 -0.206 26.741 9.022 1.00 0.00 H ATOM 1061 H PHE A 85 3.727 26.859 5.840 1.00 0.00 H ATOM 1062 N ASN A 86 2.955 23.462 7.676 1.00 10.49 N ATOM 1063 CA ASN A 86 3.308 22.107 7.328 1.00 11.49 C ATOM 1064 C ASN A 86 2.111 21.173 7.423 1.00 10.12 C ATOM 1065 O ASN A 86 1.453 21.092 8.464 1.00 11.87 O ATOM 1066 CB ASN A 86 4.381 21.588 8.278 1.00 12.96 C ATOM 1067 CG ASN A 86 5.618 22.425 8.279 1.00 17.09 C ATOM 1068 OD1 ASN A 86 6.341 22.434 7.325 1.00 19.86 O ATOM 1069 ND2 ASN A 86 5.873 23.120 9.384 1.00 21.96 N ATOM 1070 HA ASN A 86 3.671 22.124 6.300 1.00 0.00 H ATOM 1071 HB2 ASN A 86 3.972 21.572 9.288 1.00 0.00 H ATOM 1072 HB3 ASN A 86 4.648 20.574 7.979 1.00 0.00 H ATOM 1073 HD22 ASN A 86 5.214 23.080 10.187 1.00 0.00 H ATOM 1074 HD21 ASN A 86 6.732 23.704 9.445 1.00 0.00 H ATOM 1075 H ASN A 86 2.662 23.664 8.653 1.00 0.00 H ATOM 1076 N PHE A 87 1.843 20.439 6.350 1.00 9.26 N ATOM 1077 CA PHE A 87 0.736 19.494 6.310 1.00 8.31 C ATOM 1078 C PHE A 87 1.285 18.109 6.045 1.00 9.26 C ATOM 1079 O PHE A 87 1.851 17.862 5.004 1.00 10.33 O ATOM 1080 CB PHE A 87 -0.238 19.882 5.179 1.00 8.33 C ATOM 1081 CG PHE A 87 -0.732 21.287 5.283 1.00 8.51 C ATOM 1082 CD1 PHE A 87 -1.768 21.603 6.159 1.00 8.61 C ATOM 1083 CD2 PHE A 87 -0.153 22.307 4.567 1.00 8.82 C ATOM 1084 CE1 PHE A 87 -2.213 22.904 6.308 1.00 9.06 C ATOM 1085 CE2 PHE A 87 -0.615 23.623 4.708 1.00 11.01 C ATOM 1086 CZ PHE A 87 -1.625 23.915 5.596 1.00 10.33 C ATOM 1087 HA PHE A 87 0.205 19.510 7.262 1.00 0.00 H ATOM 1088 HB2 PHE A 87 0.275 19.765 4.224 1.00 0.00 H ATOM 1089 HB3 PHE A 87 -1.095 19.210 5.214 1.00 0.00 H ATOM 1090 HD2 PHE A 87 0.670 22.092 3.886 1.00 0.00 H ATOM 1091 HE2 PHE A 87 -0.172 24.420 4.111 1.00 0.00 H ATOM 1092 HZ PHE A 87 -1.955 24.945 5.732 1.00 0.00 H ATOM 1093 HE1 PHE A 87 -3.032 23.125 6.992 1.00 0.00 H ATOM 1094 HD1 PHE A 87 -2.238 20.809 6.739 1.00 0.00 H ATOM 1095 H PHE A 87 2.445 20.543 5.508 1.00 0.00 H ATOM 1096 N THR A 88 1.128 17.198 6.993 1.00 10.05 N ATOM 1097 CA THR A 88 1.644 15.851 6.867 1.00 10.74 C ATOM 1098 C THR A 88 0.491 14.900 6.678 1.00 10.49 C ATOM 1099 O THR A 88 -0.475 14.931 7.449 1.00 11.11 O ATOM 1100 CB THR A 88 2.402 15.474 8.134 1.00 11.49 C ATOM 1101 OG1 THR A 88 3.526 16.350 8.312 1.00 13.48 O ATOM 1102 CG2 THR A 88 2.969 14.058 8.033 1.00 12.71 C ATOM 1103 HA THR A 88 2.317 15.795 6.012 1.00 0.00 H ATOM 1104 HB THR A 88 1.699 15.548 8.963 1.00 0.00 H ATOM 1105 HG1 THR A 88 4.132 16.270 7.533 1.00 0.00 H ATOM 1106 HG23 THR A 88 2.152 13.350 7.896 1.00 0.00 H ATOM 1107 HG21 THR A 88 3.648 14.000 7.182 1.00 0.00 H ATOM 1108 HG22 THR A 88 3.510 13.818 8.949 1.00 0.00 H ATOM 1109 H THR A 88 0.616 17.459 7.859 1.00 0.00 H ATOM 1110 N GLY A 89 0.614 14.030 5.684 1.00 10.14 N ATOM 1111 CA GLY A 89 -0.416 13.056 5.393 1.00 9.28 C ATOM 1112 C GLY A 89 -1.578 13.612 4.594 1.00 9.57 C ATOM 1113 O GLY A 89 -1.763 14.815 4.460 1.00 8.28 O ATOM 1114 HA3 GLY A 89 -0.801 12.671 6.337 1.00 0.00 H ATOM 1115 HA2 GLY A 89 0.033 12.241 4.825 1.00 0.00 H ATOM 1116 H GLY A 89 1.473 14.048 5.098 1.00 0.00 H ATOM 1117 N LYS A 90 -2.394 12.700 4.107 1.00 10.47 N ATOM 1118 CA LYS A 90 -3.449 13.037 3.168 1.00 11.24 C ATOM 1119 C LYS A 90 -4.687 13.626 3.833 1.00 10.87 C ATOM 1120 O LYS A 90 -5.456 14.337 3.179 1.00 10.54 O ATOM 1121 CB LYS A 90 -3.851 11.793 2.377 1.00 12.62 C ATOM 1122 CG LYS A 90 -2.785 11.376 1.377 1.00 15.53 C ATOM 1123 CD LYS A 90 -3.284 10.267 0.462 1.00 19.99 C ATOM 1124 CE LYS A 90 -3.075 8.934 1.085 1.00 23.44 C ATOM 1125 NZ LYS A 90 -3.611 7.886 0.156 1.00 27.44 N ATOM 1126 HA LYS A 90 -3.043 13.805 2.510 1.00 0.00 H ATOM 1127 HB2 LYS A 90 -4.018 10.972 3.075 1.00 0.00 H ATOM 1128 HB3 LYS A 90 -4.775 12.003 1.838 1.00 0.00 H ATOM 1129 HG2 LYS A 90 -2.510 12.239 0.771 1.00 0.00 H ATOM 1130 HG3 LYS A 90 -1.909 11.021 1.920 1.00 0.00 H ATOM 1131 HD2 LYS A 90 -4.348 10.411 0.273 1.00 0.00 H ATOM 1132 HD3 LYS A 90 -2.740 10.310 -0.482 1.00 0.00 H ATOM 1133 HE2 LYS A 90 -3.603 8.886 2.038 1.00 0.00 H ATOM 1134 HE3 LYS A 90 -2.011 8.768 1.252 1.00 0.00 H ATOM 1135 HZ1 LYS A 90 -4.626 8.050 -0.001 1.00 0.00 H ATOM 1136 HZ2 LYS A 90 -3.106 7.938 -0.752 1.00 0.00 H ATOM 1137 HZ3 LYS A 90 -3.472 6.946 0.579 1.00 0.00 H ATOM 1138 H LYS A 90 -2.279 11.710 4.404 1.00 0.00 H ATOM 1139 N THR A 91 -4.909 13.328 5.107 1.00 9.40 N ATOM 1140 CA THR A 91 -6.074 13.862 5.815 1.00 9.66 C ATOM 1141 C THR A 91 -5.905 15.377 6.035 1.00 8.93 C ATOM 1142 O THR A 91 -4.896 15.807 6.577 1.00 9.89 O ATOM 1143 CB THR A 91 -6.245 13.176 7.160 1.00 10.10 C ATOM 1144 OG1 THR A 91 -6.281 11.750 6.994 1.00 12.33 O ATOM 1145 CG2 THR A 91 -7.570 13.544 7.741 1.00 10.13 C ATOM 1146 HA THR A 91 -6.959 13.675 5.207 1.00 0.00 H ATOM 1147 HB THR A 91 -5.414 13.482 7.795 1.00 0.00 H ATOM 1148 HG1 THR A 91 -6.393 11.319 7.878 1.00 0.00 H ATOM 1149 HG23 THR A 91 -7.611 14.622 7.894 1.00 0.00 H ATOM 1150 HG21 THR A 91 -8.362 13.242 7.056 1.00 0.00 H ATOM 1151 HG22 THR A 91 -7.701 13.035 8.696 1.00 0.00 H ATOM 1152 H THR A 91 -4.245 12.705 5.610 1.00 0.00 H ATOM 1153 N PRO A 92 -6.858 16.205 5.605 1.00 9.59 N ATOM 1154 CA PRO A 92 -6.716 17.643 5.849 1.00 9.59 C ATOM 1155 C PRO A 92 -6.586 17.994 7.319 1.00 9.95 C ATOM 1156 O PRO A 92 -7.235 17.400 8.178 1.00 10.53 O ATOM 1157 CB PRO A 92 -8.009 18.210 5.266 1.00 9.97 C ATOM 1158 CG PRO A 92 -8.405 17.268 4.257 1.00 10.23 C ATOM 1159 CD PRO A 92 -8.076 15.904 4.833 1.00 9.90 C ATOM 1160 HA PRO A 92 -5.806 18.045 5.403 1.00 0.00 H ATOM 1161 HD3 PRO A 92 -8.876 15.538 5.476 1.00 0.00 H ATOM 1162 HD2 PRO A 92 -7.881 15.175 4.047 1.00 0.00 H ATOM 1163 HG3 PRO A 92 -7.848 17.438 3.335 1.00 0.00 H ATOM 1164 HG2 PRO A 92 -9.473 17.350 4.055 1.00 0.00 H ATOM 1165 HB2 PRO A 92 -8.775 18.290 6.037 1.00 0.00 H ATOM 1166 HB3 PRO A 92 -7.833 19.192 4.826 1.00 0.00 H ATOM 1167 N THR A 93 -5.723 18.959 7.588 1.00 10.47 N ATOM 1168 CA THR A 93 -5.573 19.538 8.913 1.00 10.69 C ATOM 1169 C THR A 93 -5.568 21.043 8.804 1.00 10.45 C ATOM 1170 O THR A 93 -5.248 21.603 7.768 1.00 10.04 O ATOM 1171 CB THR A 93 -4.266 19.074 9.653 1.00 11.93 C ATOM 1172 OG1 THR A 93 -3.082 19.432 8.912 1.00 14.57 O ATOM 1173 CG2 THR A 93 -4.222 17.541 9.793 1.00 12.35 C ATOM 1174 HA THR A 93 -6.418 19.187 9.505 1.00 0.00 H ATOM 1175 HB THR A 93 -4.286 19.566 10.626 1.00 0.00 H ATOM 1176 HG1 THR A 93 -3.108 19.000 8.022 1.00 0.00 H ATOM 1177 HG23 THR A 93 -5.097 17.203 10.348 1.00 0.00 H ATOM 1178 HG21 THR A 93 -4.221 17.087 8.802 1.00 0.00 H ATOM 1179 HG22 THR A 93 -3.317 17.252 10.327 1.00 0.00 H ATOM 1180 H THR A 93 -5.125 19.320 6.817 1.00 0.00 H ATOM 1181 N VAL A 94 -5.884 21.685 9.913 1.00 10.55 N ATOM 1182 CA VAL A 94 -5.744 23.122 10.074 1.00 10.86 C ATOM 1183 C VAL A 94 -4.463 23.421 10.832 1.00 10.92 C ATOM 1184 O VAL A 94 -4.235 22.923 11.932 1.00 12.62 O ATOM 1185 CB VAL A 94 -6.954 23.748 10.786 1.00 11.90 C ATOM 1186 CG1 VAL A 94 -6.744 25.253 10.899 1.00 12.13 C ATOM 1187 CG2 VAL A 94 -8.230 23.448 10.010 1.00 12.25 C ATOM 1188 HA VAL A 94 -5.698 23.571 9.082 1.00 0.00 H ATOM 1189 HB VAL A 94 -7.051 23.322 11.785 1.00 0.00 H ATOM 1190 HG11 VAL A 94 -5.838 25.450 11.473 1.00 0.00 H ATOM 1191 HG12 VAL A 94 -6.644 25.681 9.901 1.00 0.00 H ATOM 1192 HG13 VAL A 94 -7.600 25.701 11.403 1.00 0.00 H ATOM 1193 HG21 VAL A 94 -8.150 23.865 9.006 1.00 0.00 H ATOM 1194 HG22 VAL A 94 -8.370 22.369 9.947 1.00 0.00 H ATOM 1195 HG23 VAL A 94 -9.080 23.896 10.524 1.00 0.00 H ATOM 1196 H VAL A 94 -6.253 21.133 10.714 1.00 0.00 H ATOM 1197 N GLN A 95 -3.611 24.233 10.222 1.00 9.80 N ATOM 1198 CA GLN A 95 -2.342 24.631 10.782 1.00 9.69 C ATOM 1199 C GLN A 95 -2.408 26.115 11.094 1.00 11.32 C ATOM 1200 O GLN A 95 -2.964 26.898 10.330 1.00 11.42 O ATOM 1201 CB GLN A 95 -1.209 24.314 9.803 1.00 9.87 C ATOM 1202 CG GLN A 95 -1.042 22.820 9.483 1.00 9.03 C ATOM 1203 CD GLN A 95 -0.626 22.015 10.709 1.00 10.28 C ATOM 1204 OE1 GLN A 95 0.230 22.469 11.487 1.00 10.85 O ATOM 1205 NE2 GLN A 95 -1.249 20.836 10.913 1.00 11.55 N ATOM 1206 HA GLN A 95 -2.138 24.079 11.699 1.00 0.00 H ATOM 1207 HB2 GLN A 95 -1.407 24.842 8.870 1.00 0.00 H ATOM 1208 HB3 GLN A 95 -0.276 24.677 10.233 1.00 0.00 H ATOM 1209 HG2 GLN A 95 -1.990 22.431 9.112 1.00 0.00 H ATOM 1210 HG3 GLN A 95 -0.279 22.708 8.713 1.00 0.00 H ATOM 1211 HE22 GLN A 95 -1.959 20.498 10.232 1.00 0.00 H ATOM 1212 HE21 GLN A 95 -1.019 20.265 11.751 1.00 0.00 H ATOM 1213 H GLN A 95 -3.872 24.604 9.286 1.00 0.00 H ATOM 1214 N THR A 96 -1.828 26.522 12.221 1.00 13.68 N ATOM 1215 CA THR A 96 -2.001 27.876 12.707 1.00 15.68 C ATOM 1216 C THR A 96 -0.675 28.498 13.105 1.00 16.02 C ATOM 1217 O THR A 96 0.128 27.866 13.802 1.00 18.61 O ATOM 1218 CB THR A 96 -2.942 27.888 13.923 1.00 16.86 C ATOM 1219 OG1 THR A 96 -4.232 27.407 13.546 1.00 18.40 O ATOM 1220 CG2 THR A 96 -3.185 29.340 14.426 1.00 19.30 C ATOM 1221 HA THR A 96 -2.432 28.461 11.895 1.00 0.00 H ATOM 1222 HB THR A 96 -2.473 27.271 14.690 1.00 0.00 H ATOM 1223 HG1 THR A 96 -4.606 27.989 12.838 1.00 0.00 H ATOM 1224 HG23 THR A 96 -2.237 29.780 14.735 1.00 0.00 H ATOM 1225 HG21 THR A 96 -3.617 29.934 13.621 1.00 0.00 H ATOM 1226 HG22 THR A 96 -3.871 29.320 15.273 1.00 0.00 H ATOM 1227 H THR A 96 -1.240 25.856 12.762 1.00 0.00 H ATOM 1228 N LEU A 97 -0.462 29.739 12.662 1.00 15.06 N ATOM 1229 CA LEU A 97 0.627 30.605 13.126 1.00 15.69 C ATOM 1230 C LEU A 97 0.001 31.638 14.059 1.00 15.86 C ATOM 1231 O LEU A 97 -0.969 32.296 13.709 1.00 16.21 O ATOM 1232 CB LEU A 97 1.312 31.318 11.949 1.00 15.77 C ATOM 1233 CG LEU A 97 2.133 30.468 10.961 1.00 17.34 C ATOM 1234 CD1 LEU A 97 2.596 31.276 9.786 1.00 18.71 C ATOM 1235 CD2 LEU A 97 3.318 29.842 11.677 1.00 18.25 C ATOM 1236 HA LEU A 97 1.388 30.012 13.633 1.00 0.00 H ATOM 1237 HB2 LEU A 97 0.532 31.817 11.375 1.00 0.00 H ATOM 1238 HB3 LEU A 97 1.985 32.064 12.371 1.00 0.00 H ATOM 1239 HG LEU A 97 1.486 29.678 10.578 1.00 0.00 H ATOM 1240 HD21 LEU A 97 3.951 30.629 12.087 1.00 0.00 H ATOM 1241 HD22 LEU A 97 2.958 29.206 12.486 1.00 0.00 H ATOM 1242 HD23 LEU A 97 3.893 29.243 10.971 1.00 0.00 H ATOM 1243 HD11 LEU A 97 1.730 31.676 9.258 1.00 0.00 H ATOM 1244 HD12 LEU A 97 3.222 32.097 10.135 1.00 0.00 H ATOM 1245 HD13 LEU A 97 3.171 30.640 9.113 1.00 0.00 H ATOM 1246 H LEU A 97 -1.110 30.116 11.941 1.00 0.00 H ATOM 1247 N SER A 98 0.548 31.768 15.261 1.00 17.64 N ATOM 1248 CA SER A 98 -0.049 32.611 16.281 1.00 18.37 C ATOM 1249 C SER A 98 0.654 33.974 16.254 1.00 17.86 C ATOM 1250 O SER A 98 1.873 34.057 16.143 1.00 17.87 O ATOM 1251 CB SER A 98 0.140 31.933 17.645 1.00 18.73 C ATOM 1252 OG SER A 98 -0.960 31.046 17.754 1.00 19.03 O ATOM 1253 HA SER A 98 -1.114 32.755 16.100 1.00 0.00 H ATOM 1254 HB2 SER A 98 0.123 32.670 18.448 1.00 0.00 H ATOM 1255 HB3 SER A 98 1.082 31.385 17.677 1.00 0.00 H ATOM 1256 HG SER A 98 -1.804 31.562 17.711 1.00 0.00 H ATOM 1257 H SER A 98 1.426 31.254 15.478 1.00 0.00 H ATOM 1258 N ASN A 99 -0.124 35.042 16.309 1.00 18.36 N ATOM 1259 CA ASN A 99 0.430 36.358 16.603 1.00 19.05 C ATOM 1260 C ASN A 99 1.496 36.811 15.624 1.00 17.24 C ATOM 1261 O ASN A 99 2.598 37.234 15.993 1.00 17.64 O ATOM 1262 CB ASN A 99 1.011 36.309 18.019 1.00 20.92 C ATOM 1263 CG ASN A 99 0.326 37.249 18.942 1.00 22.46 C ATOM 1264 OD1 ASN A 99 -0.907 37.285 19.052 1.00 25.69 O ATOM 1265 ND2 ASN A 99 1.129 38.089 19.568 1.00 24.75 N ATOM 1266 HA ASN A 99 -0.375 37.087 16.514 1.00 0.00 H ATOM 1267 HB2 ASN A 99 0.904 35.296 18.407 1.00 0.00 H ATOM 1268 HB3 ASN A 99 2.068 36.570 17.974 1.00 0.00 H ATOM 1269 HD22 ASN A 99 2.159 38.016 19.441 1.00 0.00 H ATOM 1270 HD21 ASN A 99 0.732 38.824 20.188 1.00 0.00 H ATOM 1271 H ASN A 99 -1.145 34.942 16.140 1.00 0.00 H ATOM 1272 N ILE A 100 1.197 36.649 14.341 1.00 14.99 N ATOM 1273 CA ILE A 100 2.102 37.112 13.313 1.00 13.99 C ATOM 1274 C ILE A 100 1.910 38.601 13.059 1.00 13.53 C ATOM 1275 O ILE A 100 0.791 39.051 12.763 1.00 12.75 O ATOM 1276 CB ILE A 100 1.862 36.335 11.996 1.00 13.60 C ATOM 1277 CG1 ILE A 100 2.096 34.834 12.175 1.00 15.35 C ATOM 1278 CG2 ILE A 100 2.730 36.888 10.881 1.00 13.11 C ATOM 1279 CD1 ILE A 100 3.478 34.457 12.601 1.00 16.73 C ATOM 1280 HA ILE A 100 3.121 36.937 13.658 1.00 0.00 H ATOM 1281 HB ILE A 100 0.817 36.471 11.719 1.00 0.00 H ATOM 1282 HG12 ILE A 100 1.398 34.470 12.929 1.00 0.00 H ATOM 1283 HG13 ILE A 100 1.889 34.343 11.224 1.00 0.00 H ATOM 1284 HD11 ILE A 100 4.193 34.798 11.853 1.00 0.00 H ATOM 1285 HD12 ILE A 100 3.702 34.925 13.560 1.00 0.00 H ATOM 1286 HD13 ILE A 100 3.543 33.374 12.700 1.00 0.00 H ATOM 1287 HG21 ILE A 100 2.487 37.938 10.720 1.00 0.00 H ATOM 1288 HG22 ILE A 100 3.780 36.795 11.159 1.00 0.00 H ATOM 1289 HG23 ILE A 100 2.544 36.327 9.965 1.00 0.00 H ATOM 1290 H ILE A 100 0.305 36.186 14.073 1.00 0.00 H ATOM 1291 N THR A 101 3.005 39.346 13.144 1.00 12.98 N ATOM 1292 CA THR A 101 3.010 40.762 12.807 1.00 13.48 C ATOM 1293 C THR A 101 3.502 40.973 11.372 1.00 13.74 C ATOM 1294 O THR A 101 4.437 40.316 10.891 1.00 15.09 O ATOM 1295 CB THR A 101 3.783 41.570 13.855 1.00 13.90 C ATOM 1296 OG1 THR A 101 3.069 41.501 15.093 1.00 13.45 O ATOM 1297 CG2 THR A 101 3.796 43.048 13.514 1.00 16.07 C ATOM 1298 HA THR A 101 1.990 41.144 12.834 1.00 0.00 H ATOM 1299 HB THR A 101 4.794 41.165 13.899 1.00 0.00 H ATOM 1300 HG1 THR A 101 2.163 41.881 14.972 1.00 0.00 H ATOM 1301 HG23 THR A 101 4.326 43.198 12.573 1.00 0.00 H ATOM 1302 HG21 THR A 101 2.771 43.406 13.416 1.00 0.00 H ATOM 1303 HG22 THR A 101 4.300 43.598 14.308 1.00 0.00 H ATOM 1304 H THR A 101 3.890 38.903 13.462 1.00 0.00 H ATOM 1305 N HIS A 102 2.819 41.880 10.685 1.00 12.93 N ATOM 1306 CA HIS A 102 3.028 42.103 9.275 1.00 12.85 C ATOM 1307 C HIS A 102 2.661 43.546 8.963 1.00 13.33 C ATOM 1308 O HIS A 102 2.206 44.306 9.825 1.00 13.17 O ATOM 1309 CB HIS A 102 2.144 41.164 8.473 1.00 12.27 C ATOM 1310 CG HIS A 102 0.703 41.215 8.873 1.00 10.90 C ATOM 1311 ND1 HIS A 102 -0.168 42.192 8.433 1.00 12.04 N ATOM 1312 CD2 HIS A 102 0.000 40.434 9.720 1.00 12.46 C ATOM 1313 CE1 HIS A 102 -1.347 42.003 9.002 1.00 10.66 C ATOM 1314 NE2 HIS A 102 -1.274 40.933 9.776 1.00 10.65 N ATOM 1315 HA HIS A 102 4.069 41.914 9.013 1.00 0.00 H ATOM 1316 HB2 HIS A 102 2.220 41.434 7.420 1.00 0.00 H ATOM 1317 HB3 HIS A 102 2.506 40.145 8.613 1.00 0.00 H ATOM 1318 HD2 HIS A 102 0.377 39.566 10.260 1.00 0.00 H ATOM 1319 HE1 HIS A 102 -2.231 42.625 8.857 1.00 0.00 H ATOM 1320 H HIS A 102 2.106 42.452 11.182 1.00 0.00 H ATOM 1321 N ALA A 103 2.830 43.909 7.704 1.00 14.34 N ATOM 1322 CA ALA A 103 2.514 45.249 7.260 1.00 14.61 C ATOM 1323 C ALA A 103 0.992 45.515 7.297 1.00 14.73 C ATOM 1324 O ALA A 103 0.199 44.593 7.133 1.00 13.40 O ATOM 1325 CB ALA A 103 3.035 45.398 5.846 1.00 15.79 C ATOM 1326 HA ALA A 103 2.981 45.974 7.927 1.00 0.00 H ATOM 1327 HB1 ALA A 103 4.113 45.239 5.839 1.00 0.00 H ATOM 1328 HB2 ALA A 103 2.554 44.661 5.203 1.00 0.00 H ATOM 1329 HB3 ALA A 103 2.812 46.401 5.482 1.00 0.00 H ATOM 1330 H ALA A 103 3.197 43.218 7.019 1.00 0.00 H ATOM 1331 N THR A 104 0.617 46.771 7.524 1.00 15.52 N ATOM 1332 CA THR A 104 -0.763 47.222 7.409 1.00 15.71 C ATOM 1333 C THR A 104 -1.029 47.897 6.051 1.00 14.88 C ATOM 1334 O THR A 104 -0.122 48.124 5.262 1.00 15.17 O ATOM 1335 CB THR A 104 -1.123 48.147 8.578 1.00 16.36 C ATOM 1336 OG1 THR A 104 -0.203 49.253 8.639 1.00 19.05 O ATOM 1337 CG2 THR A 104 -0.982 47.427 9.915 1.00 17.69 C ATOM 1338 HA THR A 104 -1.410 46.346 7.458 1.00 0.00 H ATOM 1339 HB THR A 104 -2.150 48.473 8.411 1.00 0.00 H ATOM 1340 HG1 THR A 104 0.716 48.909 8.768 1.00 0.00 H ATOM 1341 HG23 THR A 104 -1.656 46.571 9.938 1.00 0.00 H ATOM 1342 HG21 THR A 104 0.046 47.085 10.035 1.00 0.00 H ATOM 1343 HG22 THR A 104 -1.235 48.112 10.724 1.00 0.00 H ATOM 1344 H THR A 104 1.344 47.463 7.796 1.00 0.00 H ATOM 1345 N GLY A 105 -2.289 48.232 5.792 1.00 13.79 N ATOM 1346 CA GLY A 105 -2.713 48.698 4.486 1.00 13.16 C ATOM 1347 C GLY A 105 -2.959 47.571 3.500 1.00 12.36 C ATOM 1348 O GLY A 105 -3.101 46.438 3.894 1.00 12.41 O ATOM 1349 HA3 GLY A 105 -1.938 49.349 4.082 1.00 0.00 H ATOM 1350 HA2 GLY A 105 -3.637 49.264 4.603 1.00 0.00 H ATOM 1351 H GLY A 105 -2.995 48.157 6.552 1.00 0.00 H ATOM 1352 N ASP A 106 -2.980 47.877 2.204 1.00 13.28 N ATOM 1353 CA ASP A 106 -3.200 46.862 1.182 1.00 13.62 C ATOM 1354 C ASP A 106 -1.906 46.061 1.011 1.00 12.56 C ATOM 1355 O ASP A 106 -0.826 46.631 0.738 1.00 13.65 O ATOM 1356 CB ASP A 106 -3.553 47.465 -0.168 1.00 15.30 C ATOM 1357 CG ASP A 106 -4.962 48.011 -0.241 1.00 19.10 C ATOM 1358 OD1 ASP A 106 -5.952 47.285 0.036 1.00 22.69 O ATOM 1359 OD2 ASP A 106 -5.154 49.176 -0.634 1.00 25.03 O ATOM 1360 HA ASP A 106 -4.034 46.240 1.508 1.00 0.00 H ATOM 1361 HB2 ASP A 106 -2.857 48.278 -0.374 1.00 0.00 H ATOM 1362 HB3 ASP A 106 -3.443 46.693 -0.929 1.00 0.00 H ATOM 1363 H ASP A 106 -2.836 48.865 1.914 1.00 0.00 H ATOM 1364 N GLN A 107 -2.009 44.753 1.210 1.00 10.80 N ATOM 1365 CA GLN A 107 -0.863 43.856 1.096 1.00 10.76 C ATOM 1366 C GLN A 107 -1.201 42.603 0.326 1.00 10.28 C ATOM 1367 O GLN A 107 -2.269 42.000 0.512 1.00 10.55 O ATOM 1368 CB GLN A 107 -0.399 43.432 2.477 1.00 11.11 C ATOM 1369 CG GLN A 107 0.012 44.580 3.398 1.00 12.03 C ATOM 1370 CD GLN A 107 1.195 45.355 2.885 1.00 14.31 C ATOM 1371 OE1 GLN A 107 2.066 44.799 2.220 1.00 15.53 O ATOM 1372 NE2 GLN A 107 1.241 46.638 3.204 1.00 14.66 N ATOM 1373 HA GLN A 107 -0.084 44.405 0.567 1.00 0.00 H ATOM 1374 HB2 GLN A 107 -1.213 42.888 2.956 1.00 0.00 H ATOM 1375 HB3 GLN A 107 0.458 42.769 2.358 1.00 0.00 H ATOM 1376 HG2 GLN A 107 -0.832 45.262 3.500 1.00 0.00 H ATOM 1377 HG3 GLN A 107 0.264 44.168 4.375 1.00 0.00 H ATOM 1378 HE22 GLN A 107 0.478 47.061 3.770 1.00 0.00 H ATOM 1379 HE21 GLN A 107 2.041 47.224 2.889 1.00 0.00 H ATOM 1380 H GLN A 107 -2.937 44.354 1.455 1.00 0.00 H ATOM 1381 N GLU A 108 -0.295 42.172 -0.529 1.00 9.69 N ATOM 1382 CA GLU A 108 -0.457 40.886 -1.181 1.00 10.01 C ATOM 1383 C GLU A 108 -0.253 39.766 -0.162 1.00 9.58 C ATOM 1384 O GLU A 108 0.697 39.780 0.620 1.00 10.33 O ATOM 1385 CB GLU A 108 0.535 40.719 -2.323 1.00 11.24 C ATOM 1386 CG GLU A 108 0.453 39.359 -3.019 1.00 14.80 C ATOM 1387 CD GLU A 108 1.639 39.075 -3.915 1.00 20.41 C ATOM 1388 OE1 GLU A 108 2.696 38.635 -3.400 1.00 24.53 O ATOM 1389 OE2 GLU A 108 1.511 39.267 -5.125 1.00 24.50 O ATOM 1390 HA GLU A 108 -1.465 40.837 -1.592 1.00 0.00 H ATOM 1391 HB2 GLU A 108 0.342 41.496 -3.063 1.00 0.00 H ATOM 1392 HB3 GLU A 108 1.542 40.841 -1.924 1.00 0.00 H ATOM 1393 HG2 GLU A 108 0.401 38.582 -2.256 1.00 0.00 H ATOM 1394 HG3 GLU A 108 -0.453 39.334 -3.625 1.00 0.00 H ATOM 1395 H GLU A 108 0.540 42.756 -0.737 1.00 0.00 H ATOM 1396 N ILE A 109 -1.198 38.833 -0.136 1.00 8.73 N ATOM 1397 CA ILE A 109 -1.100 37.592 0.617 1.00 8.71 C ATOM 1398 C ILE A 109 -0.805 36.493 -0.368 1.00 8.69 C ATOM 1399 O ILE A 109 -1.538 36.323 -1.332 1.00 9.43 O ATOM 1400 CB ILE A 109 -2.430 37.255 1.346 1.00 9.34 C ATOM 1401 CG1 ILE A 109 -2.953 38.465 2.119 1.00 10.75 C ATOM 1402 CG2 ILE A 109 -2.230 36.039 2.261 1.00 10.86 C ATOM 1403 CD1 ILE A 109 -2.011 39.062 3.075 1.00 13.04 C ATOM 1404 HA ILE A 109 -0.320 37.693 1.371 1.00 0.00 H ATOM 1405 HB ILE A 109 -3.186 37.001 0.603 1.00 0.00 H ATOM 1406 HG12 ILE A 109 -3.229 39.232 1.395 1.00 0.00 H ATOM 1407 HG13 ILE A 109 -3.839 38.153 2.671 1.00 0.00 H ATOM 1408 HD11 ILE A 109 -1.732 38.318 3.821 1.00 0.00 H ATOM 1409 HD12 ILE A 109 -1.120 39.398 2.544 1.00 0.00 H ATOM 1410 HD13 ILE A 109 -2.484 39.912 3.567 1.00 0.00 H ATOM 1411 HG21 ILE A 109 -1.920 35.182 1.662 1.00 0.00 H ATOM 1412 HG22 ILE A 109 -1.461 36.265 3.000 1.00 0.00 H ATOM 1413 HG23 ILE A 109 -3.167 35.810 2.768 1.00 0.00 H ATOM 1414 H ILE A 109 -2.063 39.000 -0.689 1.00 0.00 H ATOM 1415 N LYS A 110 0.264 35.737 -0.138 1.00 8.48 N ATOM 1416 CA LYS A 110 0.654 34.657 -1.029 1.00 8.39 C ATOM 1417 C LYS A 110 0.975 33.407 -0.216 1.00 7.32 C ATOM 1418 O LYS A 110 1.654 33.501 0.810 1.00 8.55 O ATOM 1419 CB LYS A 110 1.862 35.077 -1.876 1.00 8.81 C ATOM 1420 CG LYS A 110 2.324 34.025 -2.862 1.00 12.03 C ATOM 1421 CD LYS A 110 3.264 34.606 -3.907 1.00 15.52 C ATOM 1422 CE LYS A 110 4.580 34.999 -3.338 1.00 18.05 C ATOM 1423 NZ LYS A 110 5.573 35.205 -4.462 1.00 20.46 N ATOM 1424 HA LYS A 110 -0.173 34.433 -1.702 1.00 0.00 H ATOM 1425 HB2 LYS A 110 1.594 35.974 -2.434 1.00 0.00 H ATOM 1426 HB3 LYS A 110 2.690 35.303 -1.204 1.00 0.00 H ATOM 1427 HG2 LYS A 110 2.844 33.236 -2.319 1.00 0.00 H ATOM 1428 HG3 LYS A 110 1.453 33.605 -3.365 1.00 0.00 H ATOM 1429 HD2 LYS A 110 3.428 33.858 -4.683 1.00 0.00 H ATOM 1430 HD3 LYS A 110 2.796 35.487 -4.346 1.00 0.00 H ATOM 1431 HE2 LYS A 110 4.939 34.212 -2.675 1.00 0.00 H ATOM 1432 HE3 LYS A 110 4.471 35.926 -2.775 1.00 0.00 H ATOM 1433 HZ1 LYS A 110 5.676 34.320 -4.998 1.00 0.00 H ATOM 1434 HZ2 LYS A 110 5.229 35.956 -5.094 1.00 0.00 H ATOM 1435 HZ3 LYS A 110 6.494 35.480 -4.064 1.00 0.00 H ATOM 1436 H LYS A 110 0.840 35.925 0.707 1.00 0.00 H ATOM 1437 N LEU A 111 0.454 32.262 -0.653 1.00 7.80 N ATOM 1438 CA LEU A 111 0.856 30.944 -0.192 1.00 7.87 C ATOM 1439 C LEU A 111 1.624 30.308 -1.355 1.00 8.23 C ATOM 1440 O LEU A 111 1.067 30.126 -2.433 1.00 8.63 O ATOM 1441 CB LEU A 111 -0.366 30.104 0.215 1.00 8.61 C ATOM 1442 CG LEU A 111 -1.115 30.606 1.457 1.00 8.96 C ATOM 1443 CD1 LEU A 111 -2.517 29.986 1.548 1.00 11.51 C ATOM 1444 CD2 LEU A 111 -0.324 30.378 2.729 1.00 10.58 C ATOM 1445 HA LEU A 111 1.481 31.004 0.699 1.00 0.00 H ATOM 1446 HB2 LEU A 111 -1.065 30.096 -0.621 1.00 0.00 H ATOM 1447 HB3 LEU A 111 -0.027 29.087 0.413 1.00 0.00 H ATOM 1448 HG LEU A 111 -1.234 31.684 1.347 1.00 0.00 H ATOM 1449 HD21 LEU A 111 -0.136 29.311 2.852 1.00 0.00 H ATOM 1450 HD22 LEU A 111 0.625 30.910 2.665 1.00 0.00 H ATOM 1451 HD23 LEU A 111 -0.894 30.749 3.581 1.00 0.00 H ATOM 1452 HD11 LEU A 111 -3.091 30.257 0.662 1.00 0.00 H ATOM 1453 HD12 LEU A 111 -2.430 28.901 1.608 1.00 0.00 H ATOM 1454 HD13 LEU A 111 -3.022 30.361 2.438 1.00 0.00 H ATOM 1455 H LEU A 111 -0.293 32.315 -1.375 1.00 0.00 H ATOM 1456 N ALA A 112 2.882 29.959 -1.106 1.00 9.82 N ATOM 1457 CA ALA A 112 3.811 29.587 -2.173 1.00 10.47 C ATOM 1458 C ALA A 112 4.671 28.401 -1.800 1.00 10.75 C ATOM 1459 O ALA A 112 5.023 28.243 -0.641 1.00 10.59 O ATOM 1460 CB ALA A 112 4.709 30.766 -2.475 1.00 11.20 C ATOM 1461 HA ALA A 112 3.219 29.307 -3.044 1.00 0.00 H ATOM 1462 HB1 ALA A 112 4.101 31.612 -2.794 1.00 0.00 H ATOM 1463 HB2 ALA A 112 5.267 31.036 -1.578 1.00 0.00 H ATOM 1464 HB3 ALA A 112 5.405 30.497 -3.270 1.00 0.00 H ATOM 1465 H ALA A 112 3.217 29.950 -0.121 1.00 0.00 H ATOM 1466 N LEU A 113 5.029 27.591 -2.785 1.00 12.13 N ATOM 1467 CA LEU A 113 6.026 26.542 -2.571 1.00 13.60 C ATOM 1468 C LEU A 113 7.411 27.019 -2.879 1.00 14.55 C ATOM 1469 O LEU A 113 7.645 27.595 -3.954 1.00 16.05 O ATOM 1470 CB LEU A 113 5.774 25.346 -3.474 1.00 15.02 C ATOM 1471 CG LEU A 113 4.502 24.589 -3.250 1.00 15.21 C ATOM 1472 CD1 LEU A 113 4.573 23.246 -3.969 1.00 16.46 C ATOM 1473 CD2 LEU A 113 4.241 24.414 -1.745 1.00 15.34 C ATOM 1474 HA LEU A 113 5.939 26.266 -1.520 1.00 0.00 H ATOM 1475 HB2 LEU A 113 5.768 25.705 -4.503 1.00 0.00 H ATOM 1476 HB3 LEU A 113 6.601 24.649 -3.338 1.00 0.00 H ATOM 1477 HG LEU A 113 3.665 25.152 -3.662 1.00 0.00 H ATOM 1478 HD21 LEU A 113 5.067 23.862 -1.296 1.00 0.00 H ATOM 1479 HD22 LEU A 113 4.159 25.394 -1.275 1.00 0.00 H ATOM 1480 HD23 LEU A 113 3.312 23.862 -1.600 1.00 0.00 H ATOM 1481 HD11 LEU A 113 4.712 23.414 -5.037 1.00 0.00 H ATOM 1482 HD12 LEU A 113 5.412 22.670 -3.578 1.00 0.00 H ATOM 1483 HD13 LEU A 113 3.646 22.697 -3.804 1.00 0.00 H ATOM 1484 H LEU A 113 4.595 27.702 -3.724 1.00 0.00 H ATOM 1485 N THR A 114 8.305 26.762 -1.947 1.00 14.43 N ATOM 1486 CA THR A 114 9.736 27.032 -2.134 1.00 15.51 C ATOM 1487 C THR A 114 10.608 25.853 -1.769 1.00 15.75 C ATOM 1488 O THR A 114 11.798 25.880 -2.049 1.00 16.75 O ATOM 1489 CB THR A 114 10.175 28.230 -1.293 1.00 16.19 C ATOM 1490 OG1 THR A 114 10.000 27.969 0.108 1.00 17.34 O ATOM 1491 CG2 THR A 114 9.317 29.453 -1.599 1.00 17.47 C ATOM 1492 HA THR A 114 9.864 27.240 -3.196 1.00 0.00 H ATOM 1493 HB THR A 114 11.223 28.407 -1.535 1.00 0.00 H ATOM 1494 HG1 THR A 114 10.291 28.759 0.629 1.00 0.00 H ATOM 1495 HG23 THR A 114 9.408 29.704 -2.656 1.00 0.00 H ATOM 1496 HG21 THR A 114 8.276 29.232 -1.365 1.00 0.00 H ATOM 1497 HG22 THR A 114 9.657 30.294 -0.994 1.00 0.00 H ATOM 1498 H THR A 114 7.986 26.353 -1.046 1.00 0.00 H ATOM 1499 N SER A 115 10.029 24.784 -1.219 1.00 15.23 N ATOM 1500 CA SER A 115 10.833 23.660 -0.746 1.00 15.83 C ATOM 1501 C SER A 115 10.425 22.313 -1.340 1.00 15.48 C ATOM 1502 O SER A 115 10.822 21.248 -0.817 1.00 15.94 O ATOM 1503 CB SER A 115 10.774 23.619 0.757 1.00 16.32 C ATOM 1504 OG SER A 115 9.482 23.244 1.153 1.00 19.21 O ATOM 1505 HA SER A 115 11.855 23.826 -1.087 1.00 0.00 H ATOM 1506 HB2 SER A 115 11.008 24.605 1.159 1.00 0.00 H ATOM 1507 HB3 SER A 115 11.496 22.894 1.132 1.00 0.00 H ATOM 1508 HG SER A 115 8.828 23.904 0.811 1.00 0.00 H ATOM 1509 H SER A 115 8.994 24.751 -1.126 1.00 0.00 H ATOM 1510 N ASP A 116 9.667 22.332 -2.422 1.00 15.17 N ATOM 1511 CA ASP A 116 9.365 21.125 -3.158 1.00 15.62 C ATOM 1512 C ASP A 116 10.685 20.492 -3.626 1.00 15.89 C ATOM 1513 O ASP A 116 11.648 21.199 -4.001 1.00 16.45 O ATOM 1514 CB ASP A 116 8.437 21.403 -4.340 1.00 15.18 C ATOM 1515 CG ASP A 116 8.223 20.198 -5.194 1.00 16.17 C ATOM 1516 OD1 ASP A 116 7.389 19.321 -4.853 1.00 15.75 O ATOM 1517 OD2 ASP A 116 8.851 20.034 -6.255 1.00 17.08 O ATOM 1518 HA ASP A 116 8.836 20.431 -2.505 1.00 0.00 H ATOM 1519 HB2 ASP A 116 7.472 21.736 -3.957 1.00 0.00 H ATOM 1520 HB3 ASP A 116 8.876 22.192 -4.951 1.00 0.00 H ATOM 1521 H ASP A 116 9.278 23.238 -2.752 1.00 0.00 H ATOM 1522 N ASP A 117 10.713 19.166 -3.567 1.00 16.87 N ATOM 1523 CA ASP A 117 11.866 18.364 -4.013 1.00 17.36 C ATOM 1524 C ASP A 117 11.454 17.087 -4.738 1.00 17.44 C ATOM 1525 O ASP A 117 12.259 16.124 -4.837 1.00 18.59 O ATOM 1526 CB ASP A 117 12.813 18.084 -2.844 1.00 18.35 C ATOM 1527 CG ASP A 117 12.145 17.316 -1.695 1.00 19.23 C ATOM 1528 OD1 ASP A 117 11.019 16.801 -1.905 1.00 20.70 O ATOM 1529 OD2 ASP A 117 12.652 17.220 -0.542 1.00 23.45 O ATOM 1530 HA ASP A 117 12.407 18.958 -4.750 1.00 0.00 H ATOM 1531 HB2 ASP A 117 13.653 17.495 -3.212 1.00 0.00 H ATOM 1532 HB3 ASP A 117 13.179 19.036 -2.458 1.00 0.00 H ATOM 1533 H ASP A 117 9.881 18.670 -3.188 1.00 0.00 H ATOM 1534 N GLY A 118 10.258 17.085 -5.316 1.00 16.82 N ATOM 1535 CA GLY A 118 9.749 15.958 -6.064 1.00 17.51 C ATOM 1536 C GLY A 118 9.250 14.831 -5.163 1.00 17.26 C ATOM 1537 O GLY A 118 9.109 13.713 -5.616 1.00 18.40 O ATOM 1538 HA3 GLY A 118 10.547 15.571 -6.698 1.00 0.00 H ATOM 1539 HA2 GLY A 118 8.923 16.298 -6.688 1.00 0.00 H ATOM 1540 H GLY A 118 9.661 17.932 -5.226 1.00 0.00 H ATOM 1541 N THR A 119 8.997 15.106 -3.885 1.00 15.57 N ATOM 1542 CA THR A 119 8.510 14.025 -3.003 1.00 15.00 C ATOM 1543 C THR A 119 7.074 14.193 -2.500 1.00 14.40 C ATOM 1544 O THR A 119 6.560 13.278 -1.864 1.00 13.79 O ATOM 1545 CB THR A 119 9.446 13.772 -1.779 1.00 14.92 C ATOM 1546 OG1 THR A 119 9.530 14.902 -0.908 1.00 16.19 O ATOM 1547 CG2 THR A 119 10.897 13.491 -2.186 1.00 16.04 C ATOM 1548 HA THR A 119 8.522 13.157 -3.662 1.00 0.00 H ATOM 1549 HB THR A 119 8.992 12.912 -1.287 1.00 0.00 H ATOM 1550 HG1 THR A 119 9.887 15.678 -1.409 1.00 0.00 H ATOM 1551 HG23 THR A 119 10.925 12.634 -2.859 1.00 0.00 H ATOM 1552 HG21 THR A 119 11.307 14.365 -2.692 1.00 0.00 H ATOM 1553 HG22 THR A 119 11.487 13.275 -1.296 1.00 0.00 H ATOM 1554 H THR A 119 9.140 16.067 -3.513 1.00 0.00 H ATOM 1555 N TRP A 120 6.467 15.350 -2.762 1.00 13.63 N ATOM 1556 CA TRP A 120 5.073 15.636 -2.343 1.00 13.28 C ATOM 1557 C TRP A 120 4.541 16.817 -3.124 1.00 12.90 C ATOM 1558 O TRP A 120 5.305 17.535 -3.804 1.00 13.05 O ATOM 1559 CB TRP A 120 4.964 15.938 -0.826 1.00 12.88 C ATOM 1560 CG TRP A 120 5.971 16.881 -0.314 1.00 12.74 C ATOM 1561 CD1 TRP A 120 7.118 16.550 0.324 1.00 14.41 C ATOM 1562 CD2 TRP A 120 5.978 18.318 -0.418 1.00 11.74 C ATOM 1563 NE1 TRP A 120 7.843 17.674 0.635 1.00 13.68 N ATOM 1564 CE2 TRP A 120 7.160 18.776 0.196 1.00 12.16 C ATOM 1565 CE3 TRP A 120 5.097 19.271 -0.952 1.00 11.10 C ATOM 1566 CZ2 TRP A 120 7.495 20.125 0.272 1.00 11.85 C ATOM 1567 CZ3 TRP A 120 5.423 20.614 -0.858 1.00 10.73 C ATOM 1568 CH2 TRP A 120 6.625 21.025 -0.263 1.00 11.78 C ATOM 1569 HA TRP A 120 4.482 14.743 -2.548 1.00 0.00 H ATOM 1570 HB2 TRP A 120 3.976 16.357 -0.633 1.00 0.00 H ATOM 1571 HB3 TRP A 120 5.071 14.999 -0.284 1.00 0.00 H ATOM 1572 HE1 TRP A 120 8.761 17.686 1.124 1.00 0.00 H ATOM 1573 HD1 TRP A 120 7.424 15.531 0.559 1.00 0.00 H ATOM 1574 HZ2 TRP A 120 8.422 20.450 0.744 1.00 0.00 H ATOM 1575 HH2 TRP A 120 6.867 22.087 -0.228 1.00 0.00 H ATOM 1576 HZ3 TRP A 120 4.735 21.362 -1.252 1.00 0.00 H ATOM 1577 HE3 TRP A 120 4.170 18.959 -1.433 1.00 0.00 H ATOM 1578 H TRP A 120 6.992 16.082 -3.281 1.00 0.00 H ATOM 1579 N ASP A 121 3.223 16.985 -3.044 1.00 12.89 N ATOM 1580 CA ASP A 121 2.522 18.183 -3.479 1.00 12.09 C ATOM 1581 C ASP A 121 1.714 18.706 -2.294 1.00 11.26 C ATOM 1582 O ASP A 121 1.445 17.963 -1.359 1.00 10.50 O ATOM 1583 CB ASP A 121 1.590 17.864 -4.640 1.00 12.65 C ATOM 1584 CG ASP A 121 2.309 17.176 -5.785 1.00 14.71 C ATOM 1585 OD1 ASP A 121 3.405 17.675 -6.110 1.00 14.89 O ATOM 1586 OD2 ASP A 121 1.846 16.180 -6.397 1.00 16.87 O ATOM 1587 HA ASP A 121 3.237 18.932 -3.818 1.00 0.00 H ATOM 1588 HB2 ASP A 121 0.795 17.210 -4.282 1.00 0.00 H ATOM 1589 HB3 ASP A 121 1.156 18.794 -5.007 1.00 0.00 H ATOM 1590 H ASP A 121 2.657 16.209 -2.644 1.00 0.00 H ATOM 1591 N ALA A 122 1.360 19.986 -2.339 1.00 10.26 N ATOM 1592 CA ALA A 122 0.617 20.640 -1.266 1.00 9.67 C ATOM 1593 C ALA A 122 -0.778 20.975 -1.760 1.00 9.12 C ATOM 1594 O ALA A 122 -0.950 21.537 -2.840 1.00 10.78 O ATOM 1595 CB ALA A 122 1.326 21.893 -0.826 1.00 9.67 C ATOM 1596 HA ALA A 122 0.550 19.967 -0.411 1.00 0.00 H ATOM 1597 HB1 ALA A 122 2.322 21.637 -0.465 1.00 0.00 H ATOM 1598 HB2 ALA A 122 1.409 22.578 -1.670 1.00 0.00 H ATOM 1599 HB3 ALA A 122 0.759 22.368 -0.026 1.00 0.00 H ATOM 1600 H ALA A 122 1.624 20.546 -3.175 1.00 0.00 H ATOM 1601 N TYR A 123 -1.782 20.679 -0.961 1.00 8.56 N ATOM 1602 CA TYR A 123 -3.162 21.019 -1.250 1.00 8.56 C ATOM 1603 C TYR A 123 -3.589 22.070 -0.239 1.00 8.28 C ATOM 1604 O TYR A 123 -3.377 21.914 0.957 1.00 8.65 O ATOM 1605 CB TYR A 123 -4.037 19.775 -1.137 1.00 9.29 C ATOM 1606 CG TYR A 123 -3.674 18.617 -2.048 1.00 10.67 C ATOM 1607 CD1 TYR A 123 -2.968 18.790 -3.241 1.00 11.97 C ATOM 1608 CD2 TYR A 123 -4.052 17.322 -1.699 1.00 11.59 C ATOM 1609 CE1 TYR A 123 -2.672 17.695 -4.061 1.00 12.50 C ATOM 1610 CE2 TYR A 123 -3.769 16.244 -2.502 1.00 12.36 C ATOM 1611 CZ TYR A 123 -3.085 16.440 -3.692 1.00 13.97 C ATOM 1612 OH TYR A 123 -2.795 15.346 -4.481 1.00 15.95 O ATOM 1613 HA TYR A 123 -3.266 21.406 -2.264 1.00 0.00 H ATOM 1614 HB3 TYR A 123 -5.063 20.067 -1.363 1.00 0.00 H ATOM 1615 HB2 TYR A 123 -3.980 19.420 -0.108 1.00 0.00 H ATOM 1616 HD2 TYR A 123 -4.587 17.160 -0.763 1.00 0.00 H ATOM 1617 HE2 TYR A 123 -4.080 15.242 -2.206 1.00 0.00 H ATOM 1618 HE1 TYR A 123 -2.116 17.839 -4.988 1.00 0.00 H ATOM 1619 HD1 TYR A 123 -2.644 19.788 -3.536 1.00 0.00 H ATOM 1620 HH TYR A 123 -2.308 15.644 -5.290 1.00 0.00 H ATOM 1621 H TYR A 123 -1.574 20.175 -0.076 1.00 0.00 H ATOM 1622 N VAL A 124 -4.150 23.157 -0.736 1.00 8.33 N ATOM 1623 CA VAL A 124 -4.540 24.301 0.086 1.00 9.15 C ATOM 1624 C VAL A 124 -6.036 24.580 -0.075 1.00 8.06 C ATOM 1625 O VAL A 124 -6.521 24.692 -1.190 1.00 8.69 O ATOM 1626 CB VAL A 124 -3.699 25.549 -0.276 1.00 10.35 C ATOM 1627 CG1 VAL A 124 -4.060 26.701 0.605 1.00 11.94 C ATOM 1628 CG2 VAL A 124 -2.198 25.242 -0.158 1.00 13.93 C ATOM 1629 HA VAL A 124 -4.346 24.062 1.132 1.00 0.00 H ATOM 1630 HB VAL A 124 -3.919 25.819 -1.309 1.00 0.00 H ATOM 1631 HG11 VAL A 124 -5.116 26.937 0.477 1.00 0.00 H ATOM 1632 HG12 VAL A 124 -3.869 26.435 1.645 1.00 0.00 H ATOM 1633 HG13 VAL A 124 -3.457 27.567 0.333 1.00 0.00 H ATOM 1634 HG21 VAL A 124 -1.968 24.945 0.865 1.00 0.00 H ATOM 1635 HG22 VAL A 124 -1.940 24.431 -0.839 1.00 0.00 H ATOM 1636 HG23 VAL A 124 -1.625 26.132 -0.417 1.00 0.00 H ATOM 1637 H VAL A 124 -4.323 23.201 -1.761 1.00 0.00 H ATOM 1638 N ASP A 125 -6.749 24.690 1.050 1.00 7.87 N ATOM 1639 CA ASP A 125 -8.213 24.825 1.075 1.00 8.63 C ATOM 1640 C ASP A 125 -8.645 26.293 1.254 1.00 8.25 C ATOM 1641 O ASP A 125 -9.397 26.817 0.438 1.00 9.11 O ATOM 1642 CB ASP A 125 -8.729 23.928 2.204 1.00 8.67 C ATOM 1643 CG ASP A 125 -10.212 23.891 2.312 1.00 10.94 C ATOM 1644 OD1 ASP A 125 -10.896 24.498 1.474 1.00 11.56 O ATOM 1645 OD2 ASP A 125 -10.753 23.274 3.253 1.00 12.61 O ATOM 1646 HA ASP A 125 -8.643 24.512 0.124 1.00 0.00 H ATOM 1647 HB2 ASP A 125 -8.372 22.913 2.028 1.00 0.00 H ATOM 1648 HB3 ASP A 125 -8.325 24.295 3.147 1.00 0.00 H ATOM 1649 H ASP A 125 -6.241 24.680 1.957 1.00 0.00 H ATOM 1650 N PHE A 126 -8.120 26.948 2.289 1.00 7.46 N ATOM 1651 CA PHE A 126 -8.446 28.336 2.613 1.00 8.05 C ATOM 1652 C PHE A 126 -7.421 28.882 3.596 1.00 8.25 C ATOM 1653 O PHE A 126 -6.656 28.114 4.218 1.00 8.15 O ATOM 1654 CB PHE A 126 -9.865 28.484 3.209 1.00 8.20 C ATOM 1655 CG PHE A 126 -10.101 27.740 4.508 1.00 10.27 C ATOM 1656 CD1 PHE A 126 -9.630 28.237 5.725 1.00 10.77 C ATOM 1657 CD2 PHE A 126 -10.856 26.562 4.523 1.00 10.28 C ATOM 1658 CE1 PHE A 126 -9.860 27.555 6.922 1.00 11.57 C ATOM 1659 CE2 PHE A 126 -11.118 25.910 5.751 1.00 10.76 C ATOM 1660 CZ PHE A 126 -10.605 26.395 6.914 1.00 10.81 C ATOM 1661 HA PHE A 126 -8.422 28.904 1.683 1.00 0.00 H ATOM 1662 HB2 PHE A 126 -10.046 29.544 3.389 1.00 0.00 H ATOM 1663 HB3 PHE A 126 -10.580 28.114 2.474 1.00 0.00 H ATOM 1664 HD2 PHE A 126 -11.241 26.148 3.591 1.00 0.00 H ATOM 1665 HE2 PHE A 126 -11.736 25.012 5.765 1.00 0.00 H ATOM 1666 HZ PHE A 126 -10.785 25.862 7.848 1.00 0.00 H ATOM 1667 HE1 PHE A 126 -9.453 27.938 7.858 1.00 0.00 H ATOM 1668 HD1 PHE A 126 -9.073 29.174 5.741 1.00 0.00 H ATOM 1669 H PHE A 126 -7.443 26.446 2.898 1.00 0.00 H ATOM 1670 N ILE A 127 -7.435 30.205 3.728 1.00 8.19 N ATOM 1671 CA ILE A 127 -6.722 30.931 4.762 1.00 8.55 C ATOM 1672 C ILE A 127 -7.715 31.716 5.626 1.00 9.65 C ATOM 1673 O ILE A 127 -8.720 32.218 5.112 1.00 10.31 O ATOM 1674 CB ILE A 127 -5.646 31.872 4.144 1.00 7.77 C ATOM 1675 CG1 ILE A 127 -4.728 32.443 5.226 1.00 8.59 C ATOM 1676 CG2 ILE A 127 -6.250 33.004 3.279 1.00 9.26 C ATOM 1677 CD1 ILE A 127 -3.396 32.965 4.739 1.00 9.24 C ATOM 1678 HA ILE A 127 -6.200 30.215 5.397 1.00 0.00 H ATOM 1679 HB ILE A 127 -5.052 31.254 3.471 1.00 0.00 H ATOM 1680 HG12 ILE A 127 -5.253 33.264 5.713 1.00 0.00 H ATOM 1681 HG13 ILE A 127 -4.535 31.655 5.953 1.00 0.00 H ATOM 1682 HD11 ILE A 127 -2.843 32.156 4.261 1.00 0.00 H ATOM 1683 HD12 ILE A 127 -3.562 33.768 4.021 1.00 0.00 H ATOM 1684 HD13 ILE A 127 -2.825 33.346 5.586 1.00 0.00 H ATOM 1685 HG21 ILE A 127 -6.818 32.568 2.457 1.00 0.00 H ATOM 1686 HG22 ILE A 127 -6.910 33.616 3.894 1.00 0.00 H ATOM 1687 HG23 ILE A 127 -5.446 33.622 2.879 1.00 0.00 H ATOM 1688 H ILE A 127 -7.994 30.756 3.045 1.00 0.00 H ATOM 1689 N GLU A 128 -7.423 31.814 6.919 1.00 10.71 N ATOM 1690 CA GLU A 128 -8.270 32.533 7.864 1.00 12.89 C ATOM 1691 C GLU A 128 -7.385 33.427 8.718 1.00 13.13 C ATOM 1692 O GLU A 128 -6.388 32.959 9.263 1.00 13.61 O ATOM 1693 CB GLU A 128 -8.993 31.524 8.760 1.00 14.75 C ATOM 1694 CG GLU A 128 -10.440 31.805 9.073 1.00 21.68 C ATOM 1695 CD GLU A 128 -11.119 30.563 9.630 1.00 26.35 C ATOM 1696 OE1 GLU A 128 -10.691 30.105 10.715 1.00 31.27 O ATOM 1697 OE2 GLU A 128 -12.025 30.018 8.965 1.00 29.25 O ATOM 1698 HA GLU A 128 -9.007 33.135 7.332 1.00 0.00 H ATOM 1699 HB2 GLU A 128 -8.945 30.552 8.268 1.00 0.00 H ATOM 1700 HB3 GLU A 128 -8.454 31.478 9.706 1.00 0.00 H ATOM 1701 HG2 GLU A 128 -10.498 32.606 9.810 1.00 0.00 H ATOM 1702 HG3 GLU A 128 -10.951 32.114 8.161 1.00 0.00 H ATOM 1703 H GLU A 128 -6.556 31.360 7.271 1.00 0.00 H ATOM 1704 N PHE A 129 -7.742 34.712 8.819 1.00 13.31 N ATOM 1705 CA PHE A 129 -7.075 35.656 9.716 1.00 14.62 C ATOM 1706 C PHE A 129 -8.015 35.973 10.855 1.00 15.85 C ATOM 1707 O PHE A 129 -9.184 36.232 10.623 1.00 16.11 O ATOM 1708 CB PHE A 129 -6.796 36.972 8.987 1.00 14.05 C ATOM 1709 CG PHE A 129 -5.794 36.854 7.895 1.00 13.79 C ATOM 1710 CD1 PHE A 129 -6.186 36.496 6.602 1.00 14.84 C ATOM 1711 CD2 PHE A 129 -4.458 37.112 8.139 1.00 14.99 C ATOM 1712 CE1 PHE A 129 -5.252 36.381 5.609 1.00 14.85 C ATOM 1713 CE2 PHE A 129 -3.513 37.010 7.131 1.00 15.65 C ATOM 1714 CZ PHE A 129 -3.895 36.651 5.870 1.00 14.32 C ATOM 1715 HA PHE A 129 -6.142 35.214 10.065 1.00 0.00 H ATOM 1716 HB2 PHE A 129 -7.731 37.332 8.558 1.00 0.00 H ATOM 1717 HB3 PHE A 129 -6.428 37.696 9.714 1.00 0.00 H ATOM 1718 HD2 PHE A 129 -4.143 37.401 9.142 1.00 0.00 H ATOM 1719 HE2 PHE A 129 -2.464 37.216 7.345 1.00 0.00 H ATOM 1720 HZ PHE A 129 -3.156 36.574 5.073 1.00 0.00 H ATOM 1721 HE1 PHE A 129 -5.561 36.078 4.608 1.00 0.00 H ATOM 1722 HD1 PHE A 129 -7.237 36.308 6.385 1.00 0.00 H ATOM 1723 H PHE A 129 -8.530 35.056 8.233 1.00 0.00 H ATOM 1724 N SER A 130 -7.504 35.981 12.077 1.00 17.75 N ATOM 1725 CA SER A 130 -8.306 36.434 13.210 1.00 19.97 C ATOM 1726 C SER A 130 -7.484 37.363 14.086 1.00 20.40 C ATOM 1727 O SER A 130 -6.264 37.191 14.243 1.00 19.21 O ATOM 1728 CB SER A 130 -8.826 35.235 13.998 1.00 20.80 C ATOM 1729 OG SER A 130 -7.765 34.492 14.530 1.00 24.02 O ATOM 1730 HA SER A 130 -9.169 36.991 12.845 1.00 0.00 H ATOM 1731 HB2 SER A 130 -9.412 34.598 13.335 1.00 0.00 H ATOM 1732 HB3 SER A 130 -9.458 35.589 14.812 1.00 0.00 H ATOM 1733 HG SER A 130 -7.190 34.165 13.793 1.00 0.00 H ATOM 1734 H SER A 130 -6.526 35.663 12.230 1.00 0.00 H ATOM 1735 N LEU A 131 -8.082 38.313 14.633 1.00 23.49 N ATOM 1736 HN3 LEU A 131 -7.670 39.212 14.310 1.00 0.00 H ATOM 1737 HN2 LEU A 131 -7.982 38.235 15.665 1.00 0.00 H ATOM 1738 HN1 LEU A 131 -9.090 38.280 14.377 1.00 0.00 H TER 1739 LEU A 131 HETATM 1740 CA CA A 1 5.713 18.143 -6.088 1.00 15.40 CA HETATM 1741 CA CA A 2 -11.608 25.818 -0.258 1.00 11.27 CA HETATM 1742 O HOH 3 1.123 14.841 -10.239 1.00 35.87 O HETATM 1743 O HOH 4 -10.925 41.666 6.076 1.00 34.36 O HETATM 1744 O HOH 5 -10.171 39.340 10.735 1.00 38.61 O HETATM 1745 O HOH 6 -13.950 39.587 7.165 1.00 38.59 O HETATM 1746 O HOH 7 -14.857 35.653 2.496 1.00 27.79 O HETATM 1747 O HOH 8 -13.576 27.737 8.714 1.00 33.00 O HETATM 1748 O HOH 9 -14.775 35.872 5.743 1.00 28.55 O HETATM 1749 O HOH 10 -16.131 26.424 0.166 1.00 34.53 O HETATM 1750 O HOH 11 -16.800 29.706 0.453 1.00 35.88 O HETATM 1751 O HOH 12 -14.324 26.312 3.585 1.00 23.01 O HETATM 1752 O HOH 13 -11.324 26.192 10.854 1.00 36.35 O HETATM 1753 O HOH 14 -15.348 27.080 -2.955 1.00 27.54 O HETATM 1754 O HOH 15 -12.873 33.102 -8.624 1.00 36.33 O HETATM 1755 O HOH 16 -13.489 30.749 -8.066 1.00 35.35 O HETATM 1756 O HOH 17 -12.170 35.524 -7.196 1.00 18.09 O HETATM 1757 O HOH 18 -8.801 35.933 -7.894 1.00 18.64 O HETATM 1758 O HOH 19 -15.792 29.659 -2.977 1.00 19.15 O HETATM 1759 O HOH 20 -9.477 31.592 -8.765 1.00 23.44 O HETATM 1760 O HOH 21 -7.824 35.028 -10.375 1.00 31.58 O HETATM 1761 O HOH 22 1.023 37.564 -9.374 1.00 33.77 O HETATM 1762 O HOH 23 -5.938 32.678 -11.416 1.00 20.52 O HETATM 1763 O HOH 24 -1.824 33.515 -12.626 1.00 36.80 O HETATM 1764 O HOH 25 -7.483 13.359 -5.221 1.00 37.88 O HETATM 1765 O HOH 26 -5.477 12.971 -1.374 1.00 17.10 O HETATM 1766 O HOH 27 1.141 31.434 -14.003 1.00 33.26 O HETATM 1767 O HOH 28 -13.743 24.215 -9.866 1.00 37.38 O HETATM 1768 O HOH 29 -0.886 27.647 -12.748 1.00 29.08 O HETATM 1769 O HOH 30 -7.241 25.653 -12.182 1.00 30.72 O HETATM 1770 O HOH 31 -11.791 27.451 -12.983 1.00 37.17 O HETATM 1771 O HOH 32 -7.107 16.478 15.290 1.00 34.48 O HETATM 1772 O HOH 33 -9.268 16.995 -7.520 1.00 31.67 O HETATM 1773 O HOH 34 -14.902 19.920 -4.236 1.00 32.81 O HETATM 1774 O HOH 35 -13.569 16.480 -1.466 1.00 18.10 O HETATM 1775 O HOH 36 -7.002 15.978 -6.177 1.00 29.74 O HETATM 1776 O HOH 37 -8.546 45.188 18.186 1.00 31.20 O HETATM 1777 O HOH 38 -8.019 13.629 -2.555 1.00 19.70 O HETATM 1778 O HOH 39 -11.667 15.276 2.581 1.00 18.80 O HETATM 1779 O HOH 40 -13.398 25.862 -7.384 1.00 33.83 O HETATM 1780 O HOH 41 -12.953 22.760 -7.468 1.00 34.12 O HETATM 1781 O HOH 42 -11.362 24.367 -6.740 1.00 26.74 O HETATM 1782 O HOH 43 -14.306 21.683 0.136 1.00 27.14 O HETATM 1783 O HOH 44 6.565 10.981 -4.884 1.00 38.46 O HETATM 1784 O HOH 45 4.338 8.022 -0.551 1.00 29.10 O HETATM 1785 O HOH 46 -4.760 20.741 -10.267 1.00 23.27 O HETATM 1786 O HOH 47 12.706 23.741 -7.962 1.00 31.33 O HETATM 1787 O HOH 48 5.621 31.503 -10.395 1.00 32.17 O HETATM 1788 O HOH 49 8.364 40.462 8.718 1.00 24.31 O HETATM 1789 O HOH 50 7.853 32.724 -2.014 1.00 27.41 O HETATM 1790 O HOH 51 5.933 32.930 14.570 1.00 32.94 O HETATM 1791 O HOH 52 5.958 26.419 -10.703 1.00 21.97 O HETATM 1792 O HOH 53 -9.905 11.452 10.267 1.00 28.47 O HETATM 1793 O HOH 54 -6.633 37.656 -6.570 1.00 30.66 O HETATM 1794 O HOH 55 -2.768 38.386 -6.286 1.00 20.26 O HETATM 1795 O HOH 56 -9.906 14.412 10.523 1.00 29.18 O HETATM 1796 O HOH 57 -7.325 17.605 12.278 1.00 27.21 O HETATM 1797 O HOH 58 -6.389 40.337 -5.406 1.00 15.23 O HETATM 1798 O HOH 59 -2.278 40.468 -4.963 1.00 30.40 O HETATM 1799 O HOH 60 -1.993 44.725 -3.106 1.00 30.04 O HETATM 1800 O HOH 61 -8.176 40.870 -3.431 1.00 10.81 O HETATM 1801 O HOH 62 -9.554 41.727 -0.525 1.00 11.51 O HETATM 1802 O HOH 63 6.395 39.796 16.112 1.00 28.28 O HETATM 1803 O HOH 64 -10.659 39.637 2.542 1.00 15.24 O HETATM 1804 O HOH 65 -6.898 51.493 8.748 1.00 30.30 O HETATM 1805 O HOH 66 -9.521 43.390 1.673 1.00 14.84 O HETATM 1806 O HOH 67 -9.955 44.820 6.145 1.00 32.19 O HETATM 1807 O HOH 68 -4.152 50.253 8.116 1.00 35.03 O HETATM 1808 O HOH 69 -6.345 45.742 16.912 1.00 29.38 O HETATM 1809 O HOH 70 -4.490 48.266 15.124 1.00 31.88 O HETATM 1810 O HOH 71 13.846 16.469 3.373 1.00 39.34 O HETATM 1811 O HOH 72 -3.582 43.344 15.269 1.00 22.11 O HETATM 1812 O HOH 73 0.092 44.030 17.806 1.00 16.41 O HETATM 1813 O HOH 74 -2.653 33.747 19.810 1.00 28.13 O HETATM 1814 O HOH 75 -6.947 32.204 12.359 1.00 28.29 O HETATM 1815 O HOH 76 -11.781 17.854 8.732 1.00 35.37 O HETATM 1816 O HOH 77 -12.603 18.580 3.279 1.00 24.36 O HETATM 1817 O HOH 78 -9.519 19.649 9.049 1.00 35.69 O HETATM 1818 O HOH 79 2.399 13.654 -4.846 1.00 28.74 O HETATM 1819 O HOH 80 -0.390 9.578 -2.538 1.00 37.78 O HETATM 1820 O HOH 81 3.247 10.260 -3.922 1.00 26.50 O HETATM 1821 O HOH 82 4.745 10.727 7.651 1.00 31.83 O HETATM 1822 O HOH 83 1.887 8.002 1.085 1.00 28.20 O HETATM 1823 O HOH 84 8.347 14.937 3.807 1.00 19.33 O HETATM 1824 O HOH 85 7.151 13.523 6.394 1.00 24.79 O HETATM 1825 O HOH 86 8.609 19.509 4.442 1.00 26.50 O HETATM 1826 O HOH 87 9.039 26.513 2.626 1.00 35.12 O HETATM 1827 O HOH 88 7.620 25.423 0.590 1.00 12.18 O HETATM 1828 O HOH 89 9.645 29.218 5.151 1.00 40.69 O HETATM 1829 O HOH 90 11.186 29.957 2.923 1.00 33.25 O HETATM 1830 O HOH 91 4.543 41.938 6.034 1.00 17.45 O HETATM 1831 O HOH 92 5.976 45.232 0.746 1.00 15.74 O HETATM 1832 O HOH 93 8.776 32.358 0.437 1.00 21.09 O HETATM 1833 O HOH 94 9.639 38.024 8.222 1.00 25.46 O HETATM 1834 O HOH 95 6.972 36.413 11.351 1.00 19.59 O HETATM 1835 O HOH 96 6.586 32.448 11.732 1.00 21.72 O HETATM 1836 O HOH 97 9.077 30.951 7.101 1.00 36.41 O HETATM 1837 O HOH 98 6.664 29.704 10.632 1.00 21.90 O HETATM 1838 O HOH 99 2.312 26.632 11.101 1.00 25.67 O HETATM 1839 O HOH 100 8.379 20.766 6.902 1.00 30.36 O HETATM 1840 O HOH 101 1.806 19.721 10.401 1.00 27.49 O HETATM 1841 O HOH 102 4.015 18.384 9.852 1.00 21.81 O HETATM 1842 O HOH 103 -3.024 14.056 7.858 1.00 12.16 O HETATM 1843 O HOH 104 -4.734 14.774 0.518 1.00 11.13 O HETATM 1844 O HOH 105 -1.580 9.819 4.410 1.00 19.89 O HETATM 1845 O HOH 106 -3.511 6.279 3.072 1.00 37.11 O HETATM 1846 O HOH 107 -2.430 17.216 6.413 1.00 14.04 O HETATM 1847 O HOH 108 -7.223 10.563 9.443 1.00 30.62 O HETATM 1848 O HOH 109 -9.740 16.208 8.469 1.00 29.96 O HETATM 1849 O HOH 110 -7.477 15.963 10.479 1.00 30.71 O HETATM 1850 O HOH 111 -6.322 19.968 12.317 1.00 19.68 O HETATM 1851 O HOH 112 -4.519 24.506 14.143 1.00 36.89 O HETATM 1852 O HOH 113 -3.696 20.419 13.224 1.00 21.83 O HETATM 1853 O HOH 114 2.324 21.042 12.702 1.00 15.06 O HETATM 1854 O HOH 115 2.318 24.005 10.429 1.00 12.27 O HETATM 1855 O HOH 116 -0.476 24.311 13.683 1.00 21.06 O HETATM 1856 O HOH 117 -0.228 28.191 16.642 1.00 36.48 O HETATM 1857 O HOH 118 2.412 29.572 16.088 1.00 32.49 O HETATM 1858 O HOH 119 -3.474 31.560 17.846 1.00 39.32 O HETATM 1859 O HOH 120 3.801 32.005 15.341 1.00 35.23 O HETATM 1860 O HOH 121 -1.754 36.485 20.073 1.00 26.53 O HETATM 1861 O HOH 122 -2.776 37.629 17.170 1.00 35.04 O HETATM 1862 O HOH 123 5.183 35.785 15.593 1.00 31.71 O HETATM 1863 O HOH 124 5.450 37.948 13.593 1.00 23.29 O HETATM 1864 O HOH 125 3.756 39.607 16.941 1.00 14.51 O HETATM 1865 O HOH 126 3.157 46.535 11.299 1.00 22.59 O HETATM 1866 O HOH 127 1.480 51.620 7.225 1.00 38.46 O HETATM 1867 O HOH 128 2.668 48.887 7.690 1.00 24.76 O HETATM 1868 O HOH 129 0.551 50.632 4.075 1.00 37.74 O HETATM 1869 O HOH 130 -1.902 51.322 6.482 1.00 37.60 O HETATM 1870 O HOH 131 -2.956 50.753 1.546 1.00 21.76 O HETATM 1871 O HOH 132 0.042 46.018 -1.897 1.00 33.40 O HETATM 1872 O HOH 133 0.063 49.156 0.915 1.00 30.20 O HETATM 1873 O HOH 134 3.319 45.826 0.117 1.00 17.05 O HETATM 1874 O HOH 135 1.994 43.813 -1.412 1.00 16.57 O HETATM 1875 O HOH 136 3.237 38.663 -0.621 1.00 11.57 O HETATM 1876 O HOH 137 1.341 37.000 -6.663 1.00 22.96 O HETATM 1877 O HOH 138 3.443 40.279 -6.628 1.00 28.25 O HETATM 1878 O HOH 139 3.893 35.857 -7.046 1.00 36.15 O HETATM 1879 O HOH 140 7.894 36.153 -3.198 1.00 29.24 O HETATM 1880 O HOH 141 5.727 32.518 -5.935 1.00 34.36 O HETATM 1881 O HOH 142 8.011 30.829 -4.215 1.00 29.78 O HETATM 1882 O HOH 143 10.035 21.126 2.856 1.00 25.71 O HETATM 1883 O HOH 144 11.030 19.332 1.121 1.00 31.77 O HETATM 1884 O HOH 145 9.993 22.112 -7.677 1.00 20.77 O HETATM 1885 O HOH 146 8.308 17.825 -2.679 1.00 12.08 O HETATM 1886 O HOH 147 12.470 15.514 1.230 1.00 29.15 O HETATM 1887 O HOH 148 14.886 16.478 -5.665 1.00 33.50 O HETATM 1888 O HOH 149 7.466 14.342 -8.161 1.00 24.51 O HETATM 1889 O HOH 150 8.192 11.452 -6.896 1.00 30.31 O HETATM 1890 O HOH 151 6.940 11.978 0.871 1.00 16.63 O HETATM 1891 O HOH 152 9.117 13.627 1.515 1.00 17.24 O HETATM 1892 O HOH 153 5.253 13.600 -4.955 1.00 22.69 O HETATM 1893 O HOH 154 6.306 15.785 -6.121 1.00 19.25 O HETATM 1894 O HOH 155 -0.838 15.407 -6.450 1.00 23.17 O HETATM 1895 O HOH 156 -3.400 12.750 -3.231 1.00 24.13 O HETATM 1896 O HOH 157 -13.697 24.802 0.325 1.00 14.67 O HETATM 1897 O HOH 158 -13.329 23.855 3.534 1.00 21.86 O HETATM 1898 O HOH 159 -9.479 27.977 10.710 1.00 35.11 O HETATM 1899 O HOH 160 -6.801 39.226 16.575 1.00 36.02 O HETATM 1900 O HOH 161 3.336 15.833 -8.618 1.00 20.18 O HETATM 1901 O HOH 162 -0.823 20.847 -13.304 1.00 41.07 O HETATM 1902 O4A NON A 163 9.379 19.489 -9.613 1.00 -0.35 O HETATM 1903 C1B NON A 163 10.662 18.913 -9.402 1.00 0.04 C HETATM 1904 H1 NON A 163 11.365 19.693 -9.074 1.00 0.05 H HETATM 1905 H2 NON A 163 11.022 18.466 -10.341 1.00 0.05 H HETATM 1906 H3 NON A 163 10.591 18.134 -8.629 1.00 0.05 H HETATM 1907 C1B NON A 163 8.376 18.544 -10.049 1.00 0.19 C HETATM 1908 C2B NON A 163 7.234 18.517 -9.046 1.00 0.13 C HETATM 1909 C3B NON A 163 6.085 17.632 -9.530 1.00 0.11 C HETATM 1910 C4B NON A 163 5.658 18.006 -10.942 1.00 0.11 C HETATM 1911 C5B NON A 163 6.911 17.999 -11.807 1.00 0.08 C HETATM 1912 O5B NON A 163 7.858 18.891 -11.255 1.00 -0.35 O HETATM 1913 H8 NON A 163 6.656 18.318 -12.828 1.00 0.06 H HETATM 1914 H9 NON A 163 7.334 16.984 -11.835 1.00 0.06 H HETATM 1915 O4B NON A 163 4.709 17.083 -11.441 1.00 -0.34 O HETATM 1916 C1B NON A 163 3.656 17.665 -12.223 1.00 0.19 C HETATM 1917 C2B NON A 163 3.121 16.564 -13.095 1.00 0.13 C HETATM 1918 C3B NON A 163 1.873 16.981 -13.877 1.00 0.11 C HETATM 1919 C4B NON A 163 0.855 17.627 -12.925 1.00 0.11 C HETATM 1920 C5B NON A 163 1.572 18.686 -12.111 1.00 0.08 C HETATM 1921 O5B NON A 163 2.648 18.099 -11.426 1.00 -0.35 O HETATM 1922 H16 NON A 163 0.873 19.128 -11.386 1.00 0.06 H HETATM 1923 H17 NON A 163 1.949 19.472 -12.782 1.00 0.06 H HETATM 1924 O4B NON A 163 -0.237 18.266 -13.560 1.00 -0.39 O HETATM 1925 H20 NON A 163 0.087 18.961 -14.121 1.00 0.21 H HETATM 1926 H15 NON A 163 0.462 16.845 -12.258 1.00 0.06 H HETATM 1927 O3B NON A 163 1.335 15.834 -14.521 1.00 -0.39 O HETATM 1928 H19 NON A 163 1.989 15.461 -15.100 1.00 0.21 H HETATM 1929 H14 NON A 163 2.155 17.719 -14.643 1.00 0.06 H HETATM 1930 O2B NON A 163 4.153 16.129 -13.955 1.00 -0.38 O HETATM 1931 H18 NON A 163 4.910 15.879 -13.438 1.00 0.21 H HETATM 1932 H13 NON A 163 2.837 15.723 -12.445 1.00 0.07 H HETATM 1933 H12 NON A 163 4.043 18.497 -12.830 1.00 0.09 H HETATM 1934 H7 NON A 163 5.213 19.012 -10.940 1.00 0.06 H HETATM 1935 O3B NON A 163 4.984 17.758 -8.646 1.00 -0.39 O HETATM 1936 H11 NON A 163 4.286 17.179 -8.927 1.00 0.21 H HETATM 1937 H6 NON A 163 6.424 16.585 -9.531 1.00 0.06 H HETATM 1938 O2B NON A 163 7.649 18.144 -7.745 1.00 -0.38 O HETATM 1939 H10 NON A 163 8.362 18.707 -7.468 1.00 0.21 H HETATM 1940 H5 NON A 163 6.847 19.544 -8.976 1.00 0.07 H HETATM 1941 H4 NON A 163 8.832 17.545 -10.121 1.00 0.09 H CONECT 1 2 19 20 21 CONECT 19 1 CONECT 20 1 CONECT 21 1 CONECT 81 80 1741 CONECT 106 105 1741 CONECT 107 105 1741 CONECT 351 350 1741 CONECT 415 414 1740 CONECT 1516 1515 1740 CONECT 1558 1557 1740 CONECT 1585 1584 1740 CONECT 1735 1726 1736 1737 1738 CONECT 1736 1735 CONECT 1737 1735 CONECT 1738 1735 CONECT 1740 415 1516 1558 1585 CONECT 1741 81 106 107 351 CONECT 1902 1903 1907 CONECT 1903 1902 1904 1905 1906 CONECT 1904 1903 CONECT 1905 1903 CONECT 1906 1903 CONECT 1907 1902 1908 1912 1941 CONECT 1908 1907 1909 1938 1940 CONECT 1909 1908 1910 1935 1937 CONECT 1910 1909 1911 1915 1934 CONECT 1911 1910 1912 1913 1914 CONECT 1912 1907 1911 CONECT 1913 1911 CONECT 1914 1911 CONECT 1915 1910 1916 CONECT 1916 1915 1917 1921 1933 CONECT 1917 1916 1918 1930 1932 CONECT 1918 1917 1919 1927 1929 CONECT 1919 1918 1920 1924 1926 CONECT 1920 1919 1921 1922 1923 CONECT 1921 1916 1920 CONECT 1922 1920 CONECT 1923 1920 CONECT 1924 1919 1925 CONECT 1925 1924 CONECT 1926 1919 CONECT 1927 1918 1928 CONECT 1928 1927 CONECT 1929 1918 CONECT 1930 1917 1931 CONECT 1931 1930 CONECT 1932 1917 CONECT 1933 1916 CONECT 1934 1910 CONECT 1935 1909 1936 CONECT 1936 1935 CONECT 1937 1909 CONECT 1938 1908 1939 CONECT 1939 1938 CONECT 1940 1908 CONECT 1941 1907 MASTER 0 0 0 0 0 0 0 0 1940 1 58 10 END
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Entry Information
PDB ID
1ux7
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
endo-1,4-beta-xylanase d
Ligand Name
3-mer
EC.Number
E.C.3.2.1.8
Resolution
1.5(Å)
Affinity (Kd/Ki/IC50)
Kd=1mM
Release Year
2004
Protein/NA Sequence
Check fasta file
Primary Reference
Structurev12;pp.1177
Ligand Properties
Formula
C
1
1
H
2
0
O
9
Molecular Weight
296.271
Exact Mass
296.111
No. of atoms
40
No. of bonds
41
Polar Surface Area
138.07
LOGP Value
-3.51 (
Computed with XLOGP3
)
-3.46 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 2
Canonical SMILES
CO[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O
InChI String
InChI=1S/C11H20O9/c1-17-10-9(16)7(14)5(3-19-10)20-11-8(15)6(13)4(12)2-18-11/h4-16H,2-3H2,1H3/t4-,5-,6+,7+,8-,9-,10-,11+/m1/s1
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UniProtKB AC
UniProt accession number (AC):
P45796
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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