Browse entries in the PDBbind-CN Database
HEADER 5IGL_COMPLEX COMPND 5IGL_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 139 LEU GLY THR GLU ASN LEU TYR PHE GLN SER MET GLN VAL SEQRES 2 A 139 ALA PHE SER PHE ILE LEU ASP ASN ILE VAL THR GLN LYS SEQRES 3 A 139 MET MET ALA VAL PRO ASP SER TRP PRO PHE HIS HIS PRO SEQRES 4 A 139 VAL ASN LYS LYS PHE VAL PRO ASP TYR TYR LYS MET ILE SEQRES 5 A 139 VAL ASN PRO VAL ASP LEU GLU THR ILE ARG LYS ASN ILE SEQRES 6 A 139 SER LYS HIS LYS TYR GLN SER ARG GLU SER PHE LEU ASP SEQRES 7 A 139 ASP VAL ASN LEU ILE LEU ALA ASN SER VAL LYS TYR ASN SEQRES 8 A 139 GLY PRO GLU SER GLN TYR THR LYS THR ALA GLN GLU ILE SEQRES 9 A 139 VAL ASN ILE CYS TYR GLN THR ILE THR GLU TYR ASP GLU SEQRES 10 A 139 HIS LEU THR GLN LEU GLU LYS ASP ILE CYS THR ALA LYS SEQRES 11 A 139 GLU ALA ALA LEU GLU GLU ALA GLU LEU HET BMF A 165 48 ATOM 1 N LEU A1512 28.366 43.984 69.564 1.00 73.35 N ATOM 2 CA LEU A1512 27.032 43.242 69.610 1.00 73.66 C ATOM 3 C LEU A1512 26.346 42.946 68.222 1.00 81.98 C ATOM 4 O LEU A1512 25.248 42.312 68.182 1.00 74.79 O ATOM 5 CB LEU A1512 26.037 43.953 70.570 1.00 79.46 C ATOM 6 CG LEU A1512 26.295 44.176 72.097 1.00 75.76 C ATOM 7 CD1 LEU A1512 25.274 45.124 72.696 1.00 80.25 C ATOM 8 CD2 LEU A1512 26.183 42.887 72.859 1.00 81.07 C ATOM 9 HN3 LEU A1512 28.231 44.909 69.109 1.00 0.00 H ATOM 10 HN2 LEU A1512 29.053 43.425 69.019 1.00 0.00 H ATOM 11 HN1 LEU A1512 28.719 44.121 70.533 1.00 0.00 H ATOM 12 N GLY A1513 26.943 43.398 67.100 1.00 74.35 N ATOM 13 CA GLY A1513 26.449 43.025 65.735 1.00 66.41 C ATOM 14 C GLY A1513 25.019 43.412 65.380 1.00 73.75 C ATOM 15 O GLY A1513 24.334 42.692 64.662 1.00 63.03 O ATOM 16 H GLY A1513 27.770 44.023 67.185 1.00 0.00 H ATOM 17 N THR A1514 24.564 44.517 65.960 1.00 77.29 N ATOM 18 CA THR A1514 23.332 45.230 65.645 1.00 76.56 C ATOM 19 C THR A1514 23.134 45.407 64.159 1.00 65.82 C ATOM 20 O THR A1514 22.062 45.115 63.619 1.00 59.01 O ATOM 21 CB THR A1514 23.481 46.664 66.248 1.00 84.55 C ATOM 22 OG1 THR A1514 23.513 46.538 67.661 1.00 76.93 O ATOM 23 CG2 THR A1514 22.386 47.634 65.825 1.00 87.02 C ATOM 24 HG1 THR A1514 23.607 47.435 68.069 1.00 0.00 H ATOM 25 H THR A1514 25.150 44.917 66.721 1.00 0.00 H ATOM 26 N GLU A1515 24.190 45.855 63.502 1.00 63.70 N ATOM 27 CA GLU A1515 24.094 46.274 62.127 1.00 84.86 C ATOM 28 C GLU A1515 23.755 45.037 61.296 1.00 69.02 C ATOM 29 O GLU A1515 22.788 45.093 60.516 1.00 63.80 O ATOM 30 CB GLU A1515 25.376 47.000 61.689 1.00103.40 C ATOM 31 CG GLU A1515 25.233 47.918 60.480 1.00135.44 C ATOM 32 CD GLU A1515 26.406 48.895 60.300 1.00177.07 C ATOM 33 OE1 GLU A1515 27.201 48.675 59.352 1.00163.01 O ATOM 34 OE2 GLU A1515 26.541 49.883 61.086 1.00202.24 O ATOM 35 H GLU A1515 25.108 45.906 63.987 1.00 0.00 H ATOM 36 N ASN A1516 24.433 43.893 61.521 1.00 82.46 N ATOM 37 CA ASN A1516 24.078 42.620 60.770 1.00 63.55 C ATOM 38 C ASN A1516 22.673 42.194 61.044 1.00 61.86 C ATOM 39 O ASN A1516 21.981 41.777 60.141 1.00 64.78 O ATOM 40 CB ASN A1516 24.941 41.384 61.069 1.00 83.66 C ATOM 41 CG ASN A1516 26.429 41.654 61.016 1.00100.48 C ATOM 42 OD1 ASN A1516 26.900 42.444 60.209 1.00120.75 O ATOM 43 ND2 ASN A1516 27.183 40.990 61.889 1.00141.58 N ATOM 44 HD22 ASN A1516 26.742 40.327 62.558 1.00 0.00 H ATOM 45 HD21 ASN A1516 28.213 41.134 61.902 1.00 0.00 H ATOM 46 H ASN A1516 25.207 43.882 62.216 1.00 0.00 H ATOM 47 N LEU A1517 22.281 42.291 62.308 1.00 62.74 N ATOM 48 CA LEU A1517 21.015 41.778 62.769 1.00 69.84 C ATOM 49 C LEU A1517 19.906 42.585 62.175 1.00 59.51 C ATOM 50 O LEU A1517 18.844 42.032 61.828 1.00 57.02 O ATOM 51 CB LEU A1517 20.885 41.787 64.326 1.00 51.94 C ATOM 52 CG LEU A1517 19.519 41.255 64.869 1.00 61.38 C ATOM 53 CD1 LEU A1517 19.189 39.816 64.366 1.00 56.59 C ATOM 54 CD2 LEU A1517 19.463 41.290 66.388 1.00 64.49 C ATOM 55 H LEU A1517 22.911 42.755 62.993 1.00 0.00 H ATOM 56 N TYR A1518 20.092 43.898 62.157 1.00 59.52 N ATOM 57 CA TYR A1518 19.178 44.730 61.410 1.00 57.04 C ATOM 58 C TYR A1518 19.096 44.291 59.912 1.00 59.44 C ATOM 59 O TYR A1518 17.990 43.996 59.374 1.00 45.13 O ATOM 60 CB TYR A1518 19.605 46.181 61.516 1.00 68.17 C ATOM 61 CG TYR A1518 18.802 47.000 60.604 1.00 78.02 C ATOM 62 CD1 TYR A1518 17.495 47.347 60.939 1.00 63.34 C ATOM 63 CD2 TYR A1518 19.318 47.383 59.336 1.00 68.41 C ATOM 64 CE1 TYR A1518 16.734 48.133 60.069 1.00 69.36 C ATOM 65 CE2 TYR A1518 18.555 48.149 58.447 1.00 62.68 C ATOM 66 CZ TYR A1518 17.264 48.505 58.801 1.00 72.32 C ATOM 67 OH TYR A1518 16.532 49.252 57.910 1.00 84.21 O ATOM 68 HH TYR A1518 15.636 49.432 58.290 1.00 0.00 H ATOM 69 H TYR A1518 20.887 44.324 62.675 1.00 0.00 H ATOM 70 N PHE A1519 20.225 44.215 59.204 1.00 47.69 N ATOM 71 CA PHE A1519 20.141 43.749 57.770 1.00 54.77 C ATOM 72 C PHE A1519 19.494 42.329 57.577 1.00 67.95 C ATOM 73 O PHE A1519 18.546 42.200 56.807 1.00 55.84 O ATOM 74 CB PHE A1519 21.502 43.790 57.084 1.00 77.47 C ATOM 75 CG PHE A1519 22.144 45.155 57.022 1.00 68.90 C ATOM 76 CD1 PHE A1519 21.457 46.265 56.547 1.00101.69 C ATOM 77 CD2 PHE A1519 23.487 45.315 57.390 1.00124.10 C ATOM 78 CE1 PHE A1519 22.091 47.510 56.470 1.00 97.82 C ATOM 79 CE2 PHE A1519 24.116 46.556 57.328 1.00116.24 C ATOM 80 CZ PHE A1519 23.416 47.657 56.872 1.00 98.74 C ATOM 81 H PHE A1519 21.139 44.470 59.629 1.00 0.00 H ATOM 82 N GLN A1520 19.912 41.312 58.373 1.00 57.57 N ATOM 83 CA GLN A1520 19.341 39.969 58.307 1.00 46.09 C ATOM 84 C GLN A1520 17.856 39.988 58.526 1.00 51.97 C ATOM 85 O GLN A1520 17.094 39.377 57.832 1.00 60.71 O ATOM 86 CB GLN A1520 20.037 39.065 59.303 1.00 49.60 C ATOM 87 CG GLN A1520 21.522 38.904 58.911 1.00 58.83 C ATOM 88 CD GLN A1520 22.361 38.217 59.966 1.00 81.70 C ATOM 89 OE1 GLN A1520 21.843 37.487 60.802 1.00 82.07 O ATOM 90 NE2 GLN A1520 23.671 38.456 59.931 1.00139.93 N ATOM 91 HE22 GLN A1520 24.066 39.084 59.202 1.00 0.00 H ATOM 92 HE21 GLN A1520 24.299 38.015 60.633 1.00 0.00 H ATOM 93 H GLN A1520 20.671 41.497 59.059 1.00 0.00 H ATOM 94 N SER A1521 17.461 40.750 59.503 1.00 56.40 N ATOM 95 CA SER A1521 16.071 40.933 59.857 1.00 61.31 C ATOM 96 C SER A1521 15.257 41.537 58.666 1.00 54.70 C ATOM 97 O SER A1521 14.065 41.194 58.439 1.00 48.03 O ATOM 98 CB SER A1521 16.048 41.837 61.156 1.00 56.82 C ATOM 99 OG SER A1521 14.733 42.026 61.577 1.00 68.31 O ATOM 100 HG SER A1521 14.726 42.592 62.389 1.00 0.00 H ATOM 101 H SER A1521 18.182 41.254 60.058 1.00 0.00 H ATOM 102 N MET A1522 15.866 42.521 57.977 1.00 53.35 N ATOM 103 CA MET A1522 15.235 43.160 56.797 1.00 63.38 C ATOM 104 C MET A1522 15.114 42.126 55.687 1.00 60.31 C ATOM 105 O MET A1522 14.038 41.991 55.059 1.00 42.83 O ATOM 106 CB MET A1522 16.022 44.386 56.300 1.00 59.88 C ATOM 107 CG MET A1522 15.920 45.652 57.171 1.00 59.48 C ATOM 108 SD MET A1522 14.200 46.116 57.475 1.00 76.05 S ATOM 109 CE MET A1522 13.846 47.020 55.939 1.00 99.90 C ATOM 110 H MET A1522 16.807 42.842 58.282 1.00 0.00 H ATOM 111 N GLN A1523 16.183 41.344 55.507 1.00 41.89 N ATOM 112 CA GLN A1523 16.125 40.197 54.537 1.00 48.20 C ATOM 113 C GLN A1523 14.973 39.248 54.737 1.00 50.85 C ATOM 114 O GLN A1523 14.285 38.850 53.789 1.00 56.87 O ATOM 115 CB GLN A1523 17.406 39.407 54.484 1.00 51.43 C ATOM 116 CG GLN A1523 17.403 38.332 53.356 1.00 67.93 C ATOM 117 CD GLN A1523 17.265 38.911 51.919 1.00 56.83 C ATOM 118 OE1 GLN A1523 18.214 39.462 51.374 1.00 50.30 O ATOM 119 NE2 GLN A1523 16.080 38.823 51.339 1.00 52.25 N ATOM 120 HE22 GLN A1523 15.295 38.348 51.829 1.00 0.00 H ATOM 121 HE21 GLN A1523 15.933 39.228 50.393 1.00 0.00 H ATOM 122 H GLN A1523 17.057 41.530 56.039 1.00 0.00 H ATOM 123 N VAL A1524 14.719 38.937 55.990 1.00 51.56 N ATOM 124 CA VAL A1524 13.764 37.926 56.321 1.00 42.63 C ATOM 125 C VAL A1524 12.403 38.456 56.020 1.00 43.07 C ATOM 126 O VAL A1524 11.482 37.697 55.687 1.00 45.05 O ATOM 127 CB VAL A1524 13.847 37.657 57.880 1.00 67.01 C ATOM 128 CG1 VAL A1524 12.568 37.071 58.538 1.00 49.28 C ATOM 129 CG2 VAL A1524 15.010 36.780 58.156 1.00 46.23 C ATOM 130 H VAL A1524 15.221 39.435 56.752 1.00 0.00 H ATOM 131 N ALA A1525 12.171 39.705 56.385 1.00 44.80 N ATOM 132 CA ALA A1525 10.809 40.249 56.198 1.00 49.62 C ATOM 133 C ALA A1525 10.484 40.398 54.696 1.00 50.06 C ATOM 134 O ALA A1525 9.318 40.297 54.277 1.00 43.19 O ATOM 135 CB ALA A1525 10.710 41.612 56.885 1.00 59.30 C ATOM 136 H ALA A1525 12.927 40.290 56.793 1.00 0.00 H ATOM 137 N PHE A1526 11.519 40.705 53.926 1.00 42.13 N ATOM 138 CA PHE A1526 11.420 40.904 52.476 1.00 52.62 C ATOM 139 C PHE A1526 11.068 39.607 51.722 1.00 51.22 C ATOM 140 O PHE A1526 9.975 39.503 51.129 1.00 52.15 O ATOM 141 CB PHE A1526 12.760 41.450 51.952 1.00 53.27 C ATOM 142 CG PHE A1526 12.751 41.861 50.475 1.00 68.70 C ATOM 143 CD1 PHE A1526 11.701 42.613 49.925 1.00 76.14 C ATOM 144 CD2 PHE A1526 13.821 41.537 49.658 1.00 64.52 C ATOM 145 CE1 PHE A1526 11.724 43.017 48.610 1.00 69.69 C ATOM 146 CE2 PHE A1526 13.845 41.915 48.332 1.00 81.19 C ATOM 147 CZ PHE A1526 12.806 42.655 47.816 1.00 75.47 C ATOM 148 H PHE A1526 12.451 40.810 54.374 1.00 0.00 H ATOM 149 N SER A1527 11.962 38.617 51.838 1.00 50.07 N ATOM 150 CA SER A1527 11.657 37.215 51.432 1.00 35.07 C ATOM 151 C SER A1527 10.248 36.761 51.795 1.00 43.74 C ATOM 152 O SER A1527 9.496 36.316 50.951 1.00 64.19 O ATOM 153 CB SER A1527 12.763 36.327 51.878 1.00 38.65 C ATOM 154 OG SER A1527 14.082 36.831 51.350 1.00 47.38 O ATOM 155 HG SER A1527 14.809 36.231 51.654 1.00 0.00 H ATOM 156 H SER A1527 12.903 38.834 52.225 1.00 0.00 H ATOM 157 N PHE A1528 9.813 37.065 53.000 1.00 44.69 N ATOM 158 CA PHE A1528 8.476 36.663 53.454 1.00 46.61 C ATOM 159 C PHE A1528 7.417 37.368 52.646 1.00 46.52 C ATOM 160 O PHE A1528 6.342 36.820 52.359 1.00 60.04 O ATOM 161 CB PHE A1528 8.331 36.935 55.008 1.00 40.16 C ATOM 162 CG PHE A1528 6.929 36.758 55.511 1.00 40.57 C ATOM 163 CD1 PHE A1528 6.482 35.550 55.965 1.00 47.11 C ATOM 164 CD2 PHE A1528 6.080 37.767 55.510 1.00 37.39 C ATOM 165 CE1 PHE A1528 5.158 35.394 56.405 1.00 44.73 C ATOM 166 CE2 PHE A1528 4.755 37.648 55.895 1.00 47.08 C ATOM 167 CZ PHE A1528 4.286 36.440 56.349 1.00 52.60 C ATOM 168 H PHE A1528 10.429 37.601 53.644 1.00 0.00 H ATOM 169 N ILE A1529 7.648 38.654 52.385 1.00 59.52 N ATOM 170 CA ILE A1529 6.704 39.444 51.550 1.00 47.09 C ATOM 171 C ILE A1529 6.645 38.915 50.092 1.00 40.92 C ATOM 172 O ILE A1529 5.594 38.674 49.554 1.00 38.09 O ATOM 173 CB ILE A1529 7.069 40.965 51.577 1.00 49.89 C ATOM 174 CG1 ILE A1529 6.391 41.613 52.798 1.00 55.51 C ATOM 175 CG2 ILE A1529 6.534 41.721 50.369 1.00 51.53 C ATOM 176 CD1 ILE A1529 7.117 42.827 53.264 1.00 60.04 C ATOM 177 H ILE A1529 8.499 39.111 52.770 1.00 0.00 H ATOM 178 N LEU A1530 7.801 38.682 49.504 1.00 31.85 N ATOM 179 CA LEU A1530 7.928 38.124 48.186 1.00 48.31 C ATOM 180 C LEU A1530 7.279 36.774 48.090 1.00 59.66 C ATOM 181 O LEU A1530 6.615 36.502 47.055 1.00 52.82 O ATOM 182 CB LEU A1530 9.375 37.945 47.805 1.00 36.67 C ATOM 183 CG LEU A1530 10.250 39.143 47.695 1.00 40.62 C ATOM 184 CD1 LEU A1530 11.649 38.837 47.130 1.00 43.56 C ATOM 185 CD2 LEU A1530 9.579 40.233 46.880 1.00 46.70 C ATOM 186 H LEU A1530 8.671 38.915 50.024 1.00 0.00 H ATOM 187 N ASP A1531 7.469 35.934 49.132 1.00 52.91 N ATOM 188 CA ASP A1531 6.856 34.594 49.157 1.00 31.04 C ATOM 189 C ASP A1531 5.336 34.642 49.183 1.00 35.50 C ATOM 190 O ASP A1531 4.614 33.968 48.460 1.00 43.85 O ATOM 191 CB ASP A1531 7.338 33.758 50.305 1.00 49.53 C ATOM 192 CG ASP A1531 6.793 32.360 50.205 1.00 72.16 C ATOM 193 OD1 ASP A1531 5.623 32.164 50.704 1.00 50.46 O ATOM 194 OD2 ASP A1531 7.468 31.570 49.463 1.00 52.01 O ATOM 195 H ASP A1531 8.059 36.239 49.932 1.00 0.00 H ATOM 196 N ASN A1532 4.852 35.606 49.888 1.00 38.70 N ATOM 197 CA ASN A1532 3.405 35.861 49.897 1.00 47.71 C ATOM 198 C ASN A1532 2.791 36.436 48.600 1.00 60.07 C ATOM 199 O ASN A1532 1.603 36.172 48.289 1.00 51.67 O ATOM 200 CB ASN A1532 3.204 36.853 51.038 1.00 53.85 C ATOM 201 CG ASN A1532 1.806 36.866 51.548 1.00 56.19 C ATOM 202 OD1 ASN A1532 1.490 36.200 52.537 1.00 71.05 O ATOM 203 ND2 ASN A1532 0.950 37.551 50.867 1.00 50.49 N ATOM 204 HD22 ASN A1532 1.262 38.098 50.040 1.00 0.00 H ATOM 205 HD21 ASN A1532 -0.052 37.556 51.146 1.00 0.00 H ATOM 206 H ASN A1532 5.488 36.205 50.452 1.00 0.00 H ATOM 207 N ILE A1533 3.549 37.251 47.846 1.00 52.40 N ATOM 208 CA ILE A1533 2.969 37.809 46.619 1.00 58.39 C ATOM 209 C ILE A1533 2.839 36.605 45.639 1.00 67.01 C ATOM 210 O ILE A1533 1.718 36.271 45.161 1.00 26.61 O ATOM 211 CB ILE A1533 3.860 38.964 46.026 1.00 53.75 C ATOM 212 CG1 ILE A1533 3.770 40.235 46.896 1.00 53.72 C ATOM 213 CG2 ILE A1533 3.402 39.395 44.615 1.00 56.01 C ATOM 214 CD1 ILE A1533 5.037 41.079 46.770 1.00 50.67 C ATOM 215 H ILE A1533 4.524 37.481 48.126 1.00 0.00 H ATOM 216 N VAL A1534 3.989 35.938 45.384 1.00 28.92 N ATOM 217 CA VAL A1534 4.030 34.585 44.674 1.00 33.98 C ATOM 218 C VAL A1534 2.867 33.660 45.015 1.00 54.11 C ATOM 219 O VAL A1534 2.049 33.423 44.165 1.00 58.07 O ATOM 220 CB VAL A1534 5.347 33.864 44.718 1.00 47.35 C ATOM 221 CG1 VAL A1534 5.393 32.687 43.730 1.00 48.45 C ATOM 222 CG2 VAL A1534 6.421 34.873 44.386 1.00 34.73 C ATOM 223 H VAL A1534 4.887 36.367 45.686 1.00 0.00 H ATOM 224 N THR A1535 2.644 33.291 46.257 1.00 51.82 N ATOM 225 CA THR A1535 1.650 32.212 46.503 1.00 33.04 C ATOM 226 C THR A1535 0.268 32.697 46.633 1.00 42.17 C ATOM 227 O THR A1535 -0.670 32.016 46.283 1.00 46.99 O ATOM 228 CB THR A1535 2.068 31.368 47.809 1.00 49.17 C ATOM 229 OG1 THR A1535 1.998 32.170 49.000 1.00 52.82 O ATOM 230 CG2 THR A1535 3.558 30.918 47.714 1.00 42.33 C ATOM 231 HG1 THR A1535 1.072 32.498 49.122 1.00 0.00 H ATOM 232 H THR A1535 3.149 33.742 47.047 1.00 0.00 H ATOM 233 N GLN A1536 0.107 33.913 47.152 1.00 47.14 N ATOM 234 CA GLN A1536 -1.206 34.465 47.335 1.00 33.65 C ATOM 235 C GLN A1536 -1.778 35.258 46.247 1.00 45.19 C ATOM 236 O GLN A1536 -3.084 35.484 46.124 1.00 38.33 O ATOM 237 CB GLN A1536 -1.196 35.320 48.601 1.00 54.88 C ATOM 238 CG GLN A1536 -0.549 34.639 49.789 1.00 54.99 C ATOM 239 CD GLN A1536 -1.125 33.271 50.045 1.00 67.55 C ATOM 240 OE1 GLN A1536 -0.431 32.262 49.910 1.00 57.85 O ATOM 241 NE2 GLN A1536 -2.422 33.220 50.324 1.00 49.67 N ATOM 242 HE22 GLN A1536 -2.966 34.100 50.429 1.00 0.00 H ATOM 243 HE21 GLN A1536 -2.894 32.300 50.438 1.00 0.00 H ATOM 244 H GLN A1536 0.942 34.469 47.428 1.00 0.00 H ATOM 245 N LYS A1537 -0.847 35.816 45.485 1.00 28.40 N ATOM 246 CA LYS A1537 -1.201 36.603 44.302 1.00 51.98 C ATOM 247 C LYS A1537 -1.010 35.993 42.916 1.00 45.67 C ATOM 248 O LYS A1537 -1.980 35.749 42.148 1.00 41.61 O ATOM 249 CB LYS A1537 -0.715 38.064 44.534 1.00 55.17 C ATOM 250 CG LYS A1537 -1.871 38.746 45.370 1.00 52.73 C ATOM 251 CD LYS A1537 -1.456 39.667 46.466 1.00 80.54 C ATOM 252 CE LYS A1537 -2.343 39.606 47.721 1.00 76.06 C ATOM 253 NZ LYS A1537 -1.332 39.361 48.828 1.00 88.35 N ATOM 254 HZ1 LYS A1537 -0.829 38.469 48.645 1.00 0.00 H ATOM 255 HZ2 LYS A1537 -0.650 40.146 48.853 1.00 0.00 H ATOM 256 HZ3 LYS A1537 -1.827 39.301 49.741 1.00 0.00 H ATOM 257 H LYS A1537 0.155 35.692 45.733 1.00 0.00 H ATOM 258 N MET A1538 0.228 35.793 42.562 1.00 37.90 N ATOM 259 CA MET A1538 0.595 35.398 41.251 1.00 32.15 C ATOM 260 C MET A1538 0.083 33.947 40.959 1.00 48.91 C ATOM 261 O MET A1538 -0.539 33.757 39.921 1.00 60.91 O ATOM 262 CB MET A1538 2.199 35.479 41.202 1.00 34.52 C ATOM 263 CG MET A1538 2.688 36.973 41.316 1.00 31.06 C ATOM 264 SD MET A1538 4.512 37.039 41.359 1.00 49.29 S ATOM 265 CE MET A1538 4.964 36.770 39.701 1.00 50.94 C ATOM 266 H MET A1538 0.977 35.929 43.270 1.00 0.00 H ATOM 267 N MET A1539 0.177 33.002 41.957 1.00 42.58 N ATOM 268 CA MET A1539 -0.273 31.565 41.817 1.00 36.57 C ATOM 269 C MET A1539 -1.796 31.527 41.896 1.00 45.14 C ATOM 270 O MET A1539 -2.385 30.540 41.503 1.00 51.34 O ATOM 271 CB MET A1539 0.347 30.634 42.882 1.00 39.47 C ATOM 272 CG MET A1539 1.958 30.557 42.670 1.00 39.57 C ATOM 273 SD MET A1539 2.487 29.282 43.775 1.00 54.14 S ATOM 274 CE MET A1539 4.216 29.025 43.421 1.00 44.98 C ATOM 275 H MET A1539 0.585 33.296 42.867 1.00 0.00 H ATOM 276 N ALA A1540 -2.449 32.571 42.393 1.00 35.66 N ATOM 277 CA ALA A1540 -4.041 32.572 42.410 1.00 39.85 C ATOM 278 C ALA A1540 -4.741 33.070 41.160 1.00 35.95 C ATOM 279 O ALA A1540 -6.018 33.050 41.022 1.00 50.13 O ATOM 280 CB ALA A1540 -4.471 33.339 43.601 1.00 43.08 C ATOM 281 H ALA A1540 -1.922 33.385 42.770 1.00 0.00 H ATOM 282 N VAL A1541 -3.924 33.506 40.201 1.00 52.72 N ATOM 283 CA VAL A1541 -4.478 33.954 38.886 1.00 65.90 C ATOM 284 C VAL A1541 -5.104 32.674 38.251 1.00 73.85 C ATOM 285 O VAL A1541 -4.366 31.658 38.080 1.00 43.36 O ATOM 286 CB VAL A1541 -3.333 34.522 37.988 1.00 65.95 C ATOM 287 CG1 VAL A1541 -3.805 34.755 36.571 1.00 64.82 C ATOM 288 CG2 VAL A1541 -2.704 35.777 38.616 1.00 51.25 C ATOM 289 H VAL A1541 -2.898 33.535 40.368 1.00 0.00 H ATOM 290 N PRO A1542 -6.426 32.679 37.934 1.00 50.92 N ATOM 291 CA PRO A1542 -7.018 31.545 37.234 1.00 57.20 C ATOM 292 C PRO A1542 -6.260 31.214 35.958 1.00 69.19 C ATOM 293 O PRO A1542 -5.680 32.098 35.300 1.00 79.47 O ATOM 294 CB PRO A1542 -8.437 32.041 36.897 1.00 74.28 C ATOM 295 CG PRO A1542 -8.680 33.163 37.914 1.00 62.82 C ATOM 296 CD PRO A1542 -7.346 33.834 37.903 1.00 64.25 C ATOM 297 N ASP A1543 -6.189 29.927 35.659 1.00 61.53 N ATOM 298 CA ASP A1543 -5.570 29.458 34.415 1.00 56.36 C ATOM 299 C ASP A1543 -4.090 29.623 34.475 1.00 52.29 C ATOM 300 O ASP A1543 -3.452 29.496 33.441 1.00 49.62 O ATOM 301 CB ASP A1543 -6.021 30.181 33.108 1.00 56.63 C ATOM 302 CG ASP A1543 -7.488 30.676 33.107 1.00 96.78 C ATOM 303 OD1 ASP A1543 -8.481 29.919 33.382 1.00 67.74 O ATOM 304 OD2 ASP A1543 -7.611 31.876 32.764 1.00 78.14 O ATOM 305 H ASP A1543 -6.582 29.230 36.323 1.00 0.00 H ATOM 306 N SER A1544 -3.516 29.909 35.625 1.00 50.39 N ATOM 307 CA SER A1544 -2.022 30.001 35.703 1.00 47.18 C ATOM 308 C SER A1544 -1.227 28.701 35.829 1.00 36.94 C ATOM 309 O SER A1544 0.078 28.779 35.835 1.00 40.13 O ATOM 310 CB SER A1544 -1.590 30.899 36.858 1.00 52.72 C ATOM 311 OG SER A1544 -2.324 30.687 38.089 1.00 43.74 O ATOM 312 HG SER A1544 -3.286 30.860 37.932 1.00 0.00 H ATOM 313 H SER A1544 -4.095 30.070 36.474 1.00 0.00 H ATOM 314 N TRP A1545 -1.913 27.564 36.015 1.00 47.38 N ATOM 315 CA TRP A1545 -1.162 26.204 36.185 1.00 35.86 C ATOM 316 C TRP A1545 0.042 26.111 35.368 1.00 43.98 C ATOM 317 O TRP A1545 1.102 25.819 35.908 1.00 34.90 O ATOM 318 CB TRP A1545 -2.008 24.933 35.928 1.00 43.56 C ATOM 319 CG TRP A1545 -3.380 24.937 36.716 1.00 45.36 C ATOM 320 CD1 TRP A1545 -4.708 24.812 36.234 1.00 74.04 C ATOM 321 CD2 TRP A1545 -3.531 25.114 38.202 1.00 63.23 C ATOM 322 NE1 TRP A1545 -5.677 24.855 37.349 1.00 61.16 N ATOM 323 CE2 TRP A1545 -4.964 25.078 38.527 1.00 50.84 C ATOM 324 CE3 TRP A1545 -2.612 25.236 39.259 1.00 59.88 C ATOM 325 CZ2 TRP A1545 -5.436 25.218 39.835 1.00 59.42 C ATOM 326 CZ3 TRP A1545 -3.128 25.378 40.610 1.00 61.60 C ATOM 327 CH2 TRP A1545 -4.515 25.354 40.859 1.00 52.46 C ATOM 328 HE1 TRP A1545 -6.708 24.740 37.269 1.00 0.00 H ATOM 329 H TRP A1545 -2.952 27.587 36.046 1.00 0.00 H ATOM 330 N PRO A1546 -0.051 26.457 34.063 1.00 59.59 N ATOM 331 CA PRO A1546 1.200 26.284 33.365 1.00 28.98 C ATOM 332 C PRO A1546 2.386 27.083 33.749 1.00 61.76 C ATOM 333 O PRO A1546 3.529 26.699 33.329 1.00 33.11 O ATOM 334 CB PRO A1546 0.842 26.595 31.882 1.00 45.62 C ATOM 335 CG PRO A1546 -0.537 27.210 31.913 1.00 56.81 C ATOM 336 CD PRO A1546 -1.188 26.568 33.115 1.00 47.26 C ATOM 337 N PHE A1547 2.151 28.185 34.468 1.00 53.22 N ATOM 338 CA PHE A1547 3.263 28.977 34.966 1.00 56.49 C ATOM 339 C PHE A1547 3.819 28.496 36.316 1.00 48.98 C ATOM 340 O PHE A1547 4.975 28.849 36.681 1.00 49.43 O ATOM 341 CB PHE A1547 2.891 30.484 34.934 1.00 69.61 C ATOM 342 CG PHE A1547 2.591 31.008 33.517 1.00 45.91 C ATOM 343 CD1 PHE A1547 3.599 31.408 32.664 1.00 47.75 C ATOM 344 CD2 PHE A1547 1.355 30.941 33.014 1.00 34.62 C ATOM 345 CE1 PHE A1547 3.306 31.823 31.363 1.00 36.54 C ATOM 346 CE2 PHE A1547 1.058 31.350 31.708 1.00 45.80 C ATOM 347 CZ PHE A1547 2.034 31.820 30.930 1.00 37.74 C ATOM 348 H PHE A1547 1.173 28.475 34.671 1.00 0.00 H ATOM 349 N HIS A1548 3.100 27.615 37.006 1.00 53.79 N ATOM 350 CA HIS A1548 3.598 27.108 38.326 1.00 52.34 C ATOM 351 C HIS A1548 4.841 26.288 38.291 1.00 44.73 C ATOM 352 O HIS A1548 5.569 26.342 39.234 1.00 51.96 O ATOM 353 CB HIS A1548 2.591 26.486 39.211 1.00 39.16 C ATOM 354 CG HIS A1548 1.377 27.358 39.468 1.00 48.04 C ATOM 355 ND1 HIS A1548 0.443 27.053 40.415 1.00 54.43 N ATOM 356 CD2 HIS A1548 0.857 28.413 38.780 1.00 52.35 C ATOM 357 CE1 HIS A1548 -0.599 27.869 40.323 1.00 48.93 C ATOM 358 NE2 HIS A1548 -0.376 28.703 39.324 1.00 56.97 N ATOM 359 H HIS A1548 2.191 27.277 36.629 1.00 0.00 H ATOM 360 N HIS A1549 5.159 25.626 37.173 1.00 56.34 N ATOM 361 CA HIS A1549 6.390 24.850 37.066 1.00 44.47 C ATOM 362 C HIS A1549 7.133 25.108 35.817 1.00 50.77 C ATOM 363 O HIS A1549 6.537 25.633 34.857 1.00 41.28 O ATOM 364 CB HIS A1549 6.063 23.354 37.158 1.00 46.53 C ATOM 365 CG HIS A1549 5.226 23.015 38.331 1.00 56.88 C ATOM 366 ND1 HIS A1549 5.753 22.934 39.619 1.00 48.75 N ATOM 367 CD2 HIS A1549 3.876 22.810 38.435 1.00 43.61 C ATOM 368 CE1 HIS A1549 4.747 22.697 40.464 1.00 59.73 C ATOM 369 NE2 HIS A1549 3.609 22.621 39.774 1.00 43.51 N ATOM 370 H HIS A1549 4.512 25.665 36.359 1.00 0.00 H ATOM 371 N PRO A1550 8.433 24.743 35.808 1.00 42.05 N ATOM 372 CA PRO A1550 9.219 24.813 34.582 1.00 47.50 C ATOM 373 C PRO A1550 8.535 24.094 33.430 1.00 50.21 C ATOM 374 O PRO A1550 7.817 23.126 33.647 1.00 61.15 O ATOM 375 CB PRO A1550 10.576 24.125 34.951 1.00 53.99 C ATOM 376 CG PRO A1550 10.577 24.046 36.514 1.00 44.65 C ATOM 377 CD PRO A1550 9.101 23.928 36.856 1.00 44.98 C ATOM 378 N VAL A1551 8.710 24.638 32.227 1.00 55.91 N ATOM 379 CA VAL A1551 7.989 24.235 31.031 1.00 51.63 C ATOM 380 C VAL A1551 8.574 22.870 30.764 1.00 48.14 C ATOM 381 O VAL A1551 9.794 22.618 30.937 1.00 47.55 O ATOM 382 CB VAL A1551 8.138 25.236 29.831 1.00 50.74 C ATOM 383 CG1 VAL A1551 7.755 24.623 28.497 1.00 51.63 C ATOM 384 CG2 VAL A1551 7.172 26.386 29.997 1.00 51.20 C ATOM 385 H VAL A1551 9.409 25.402 32.137 1.00 0.00 H ATOM 386 N ASN A1552 7.694 21.915 30.546 1.00 40.70 N ATOM 387 CA ASN A1552 8.233 20.508 30.483 1.00 65.68 C ATOM 388 C ASN A1552 8.633 20.179 29.035 1.00 60.09 C ATOM 389 O ASN A1552 7.753 20.243 28.181 1.00 52.91 O ATOM 390 CB ASN A1552 7.216 19.516 30.990 1.00 55.65 C ATOM 391 CG ASN A1552 7.824 18.095 31.235 1.00 79.71 C ATOM 392 OD1 ASN A1552 8.737 17.592 30.554 1.00 68.42 O ATOM 393 ND2 ASN A1552 7.325 17.479 32.262 1.00 77.70 N ATOM 394 HD22 ASN A1552 6.563 17.922 32.814 1.00 0.00 H ATOM 395 HD21 ASN A1552 7.687 16.543 32.533 1.00 0.00 H ATOM 396 H ASN A1552 6.682 22.120 30.424 1.00 0.00 H ATOM 397 N LYS A1553 9.908 19.896 28.741 1.00 61.99 N ATOM 398 CA LYS A1553 10.313 19.523 27.347 1.00 66.81 C ATOM 399 C LYS A1553 9.432 18.435 26.697 1.00 79.87 C ATOM 400 O LYS A1553 9.147 18.475 25.523 1.00 62.41 O ATOM 401 CB LYS A1553 11.695 18.910 27.380 1.00 84.04 C ATOM 402 CG LYS A1553 12.791 19.928 27.382 1.00116.20 C ATOM 403 CD LYS A1553 13.324 20.146 25.980 1.00158.31 C ATOM 404 CE LYS A1553 14.235 18.998 25.561 1.00 95.92 C ATOM 405 NZ LYS A1553 15.158 19.461 24.488 1.00157.68 N ATOM 406 HZ1 LYS A1553 14.603 19.780 23.668 1.00 0.00 H ATOM 407 HZ2 LYS A1553 15.735 20.249 24.845 1.00 0.00 H ATOM 408 HZ3 LYS A1553 15.779 18.676 24.204 1.00 0.00 H ATOM 409 H LYS A1553 10.628 19.936 29.491 1.00 0.00 H ATOM 410 N LYS A1554 9.003 17.458 27.485 1.00 62.82 N ATOM 411 CA LYS A1554 8.176 16.388 26.966 1.00 68.17 C ATOM 412 C LYS A1554 6.878 16.908 26.427 1.00 73.29 C ATOM 413 O LYS A1554 6.258 16.213 25.668 1.00 65.17 O ATOM 414 CB LYS A1554 7.841 15.321 28.019 1.00 63.37 C ATOM 415 CG LYS A1554 9.074 14.785 28.682 1.00 78.77 C ATOM 416 CD LYS A1554 8.759 13.635 29.579 1.00 75.88 C ATOM 417 CE LYS A1554 10.003 13.397 30.424 1.00113.16 C ATOM 418 NZ LYS A1554 9.897 12.249 31.363 1.00176.10 N ATOM 419 HZ1 LYS A1554 9.109 12.413 32.022 1.00 0.00 H ATOM 420 HZ2 LYS A1554 9.724 11.377 30.824 1.00 0.00 H ATOM 421 HZ3 LYS A1554 10.784 12.157 31.898 1.00 0.00 H ATOM 422 H LYS A1554 9.265 17.460 28.492 1.00 0.00 H ATOM 423 N PHE A1555 6.374 18.043 26.883 1.00 56.28 N ATOM 424 CA PHE A1555 5.109 18.538 26.325 1.00 59.86 C ATOM 425 C PHE A1555 5.313 19.748 25.394 1.00 61.89 C ATOM 426 O PHE A1555 4.359 20.150 24.729 1.00 56.38 O ATOM 427 CB PHE A1555 4.051 18.831 27.407 1.00 53.78 C ATOM 428 CG PHE A1555 3.831 17.711 28.371 1.00 67.65 C ATOM 429 CD1 PHE A1555 3.297 16.499 27.949 1.00 75.48 C ATOM 430 CD2 PHE A1555 4.161 17.861 29.723 1.00 63.28 C ATOM 431 CE1 PHE A1555 3.099 15.435 28.864 1.00 75.68 C ATOM 432 CE2 PHE A1555 3.938 16.825 30.644 1.00 63.57 C ATOM 433 CZ PHE A1555 3.443 15.597 30.220 1.00 58.27 C ATOM 434 H PHE A1555 6.867 18.577 27.627 1.00 0.00 H ATOM 435 N VAL A1556 6.523 20.327 25.400 1.00 59.74 N ATOM 436 CA VAL A1556 6.926 21.537 24.612 1.00 54.85 C ATOM 437 C VAL A1556 8.410 21.358 24.199 1.00 86.52 C ATOM 438 O VAL A1556 9.353 21.978 24.809 1.00 56.83 O ATOM 439 CB VAL A1556 6.758 22.907 25.348 1.00 65.09 C ATOM 440 CG1 VAL A1556 6.792 24.046 24.299 1.00 78.14 C ATOM 441 CG2 VAL A1556 5.458 22.974 26.180 1.00 60.35 C ATOM 442 H VAL A1556 7.249 19.897 26.008 1.00 0.00 H ATOM 443 N PRO A1557 8.626 20.506 23.162 1.00 79.21 N ATOM 444 CA PRO A1557 10.004 20.169 22.854 1.00 70.58 C ATOM 445 C PRO A1557 10.805 21.300 22.261 1.00 58.91 C ATOM 446 O PRO A1557 12.028 21.344 22.487 1.00 83.39 O ATOM 447 CB PRO A1557 9.893 18.962 21.925 1.00 87.77 C ATOM 448 CG PRO A1557 8.433 18.760 21.659 1.00 76.95 C ATOM 449 CD PRO A1557 7.644 19.551 22.598 1.00 70.77 C ATOM 450 N ASP A1558 10.148 22.251 21.585 1.00 72.86 N ATOM 451 CA ASP A1558 10.837 23.475 21.090 1.00 75.38 C ATOM 452 C ASP A1558 11.294 24.444 22.177 1.00 90.14 C ATOM 453 O ASP A1558 12.235 25.199 21.892 1.00 78.59 O ATOM 454 CB ASP A1558 9.964 24.247 20.088 1.00 77.81 C ATOM 455 H ASP A1558 9.131 22.132 21.401 1.00 0.00 H ATOM 456 N TYR A1559 10.693 24.395 23.402 1.00 94.15 N ATOM 457 CA TYR A1559 10.740 25.515 24.406 1.00 69.97 C ATOM 458 C TYR A1559 12.106 26.081 24.632 1.00 72.83 C ATOM 459 O TYR A1559 12.341 27.273 24.305 1.00 60.74 O ATOM 460 CB TYR A1559 10.077 25.248 25.779 1.00 66.03 C ATOM 461 CG TYR A1559 9.772 26.556 26.550 1.00 57.50 C ATOM 462 CD1 TYR A1559 8.643 27.303 26.256 1.00 62.43 C ATOM 463 CD2 TYR A1559 10.608 27.029 27.559 1.00 60.29 C ATOM 464 CE1 TYR A1559 8.340 28.490 26.950 1.00 58.10 C ATOM 465 CE2 TYR A1559 10.336 28.222 28.237 1.00 66.55 C ATOM 466 CZ TYR A1559 9.196 28.963 27.932 1.00 52.30 C ATOM 467 OH TYR A1559 8.903 30.206 28.531 1.00 55.41 O ATOM 468 HH TYR A1559 8.049 30.553 28.169 1.00 0.00 H ATOM 469 H TYR A1559 10.171 23.532 23.656 1.00 0.00 H ATOM 470 N TYR A1560 13.007 25.197 25.067 1.00 61.97 N ATOM 471 CA TYR A1560 14.370 25.579 25.479 1.00 69.93 C ATOM 472 C TYR A1560 15.338 25.735 24.299 1.00 68.29 C ATOM 473 O TYR A1560 16.524 26.009 24.486 1.00 77.08 O ATOM 474 CB TYR A1560 14.933 24.604 26.536 1.00 74.31 C ATOM 475 CG TYR A1560 14.050 24.457 27.769 1.00 83.04 C ATOM 476 CD1 TYR A1560 14.187 25.308 28.834 1.00 57.49 C ATOM 477 CD2 TYR A1560 13.047 23.485 27.836 1.00 75.99 C ATOM 478 CE1 TYR A1560 13.392 25.180 29.964 1.00 66.87 C ATOM 479 CE2 TYR A1560 12.226 23.366 28.956 1.00 73.34 C ATOM 480 CZ TYR A1560 12.409 24.230 30.022 1.00 87.14 C ATOM 481 OH TYR A1560 11.626 24.177 31.151 1.00 81.84 O ATOM 482 HH TYR A1560 10.680 24.331 30.903 1.00 0.00 H ATOM 483 H TYR A1560 12.735 24.194 25.117 1.00 0.00 H ATOM 484 N LYS A1561 14.849 25.557 23.086 1.00 78.06 N ATOM 485 CA LYS A1561 15.612 25.938 21.942 1.00 72.46 C ATOM 486 C LYS A1561 15.344 27.430 21.743 1.00 79.70 C ATOM 487 O LYS A1561 16.309 28.147 21.565 1.00 79.21 O ATOM 488 CB LYS A1561 15.304 25.055 20.721 1.00 82.12 C ATOM 489 CG LYS A1561 16.500 24.191 20.306 1.00113.33 C ATOM 490 CD LYS A1561 16.721 22.938 21.149 1.00136.57 C ATOM 491 CE LYS A1561 16.624 21.657 20.314 1.00131.92 C ATOM 492 NZ LYS A1561 15.243 21.411 19.799 1.00122.30 N ATOM 493 HZ1 LYS A1561 14.586 21.321 20.600 1.00 0.00 H ATOM 494 HZ2 LYS A1561 14.951 22.208 19.198 1.00 0.00 H ATOM 495 HZ3 LYS A1561 15.233 20.533 19.242 1.00 0.00 H ATOM 496 H LYS A1561 13.905 25.138 22.964 1.00 0.00 H ATOM 497 N MET A1562 14.084 27.913 21.847 1.00 91.21 N ATOM 498 CA MET A1562 13.751 29.386 21.707 1.00 67.21 C ATOM 499 C MET A1562 14.017 30.253 22.981 1.00 99.38 C ATOM 500 O MET A1562 14.278 31.458 22.864 1.00 79.99 O ATOM 501 CB MET A1562 12.288 29.609 21.234 1.00 74.05 C ATOM 502 H MET A1562 13.309 27.244 22.031 1.00 0.00 H ATOM 503 N ILE A1563 13.956 29.648 24.179 1.00 92.21 N ATOM 504 CA ILE A1563 13.988 30.390 25.458 1.00 64.49 C ATOM 505 C ILE A1563 15.295 30.212 26.265 1.00 68.79 C ATOM 506 O ILE A1563 15.705 29.122 26.708 1.00 74.46 O ATOM 507 CB ILE A1563 12.715 30.122 26.283 1.00 57.59 C ATOM 508 CG1 ILE A1563 11.465 30.479 25.452 1.00 65.50 C ATOM 509 CG2 ILE A1563 12.683 30.926 27.574 1.00 63.28 C ATOM 510 CD1 ILE A1563 11.272 31.945 25.135 1.00 66.45 C ATOM 511 H ILE A1563 13.883 28.611 24.208 1.00 0.00 H ATOM 512 N VAL A1564 15.912 31.354 26.478 1.00 77.28 N ATOM 513 CA VAL A1564 17.270 31.471 26.916 1.00 72.38 C ATOM 514 C VAL A1564 17.302 31.551 28.444 1.00 90.47 C ATOM 515 O VAL A1564 18.191 30.970 29.067 1.00 72.59 O ATOM 516 CB VAL A1564 17.899 32.766 26.372 1.00 84.19 C ATOM 517 CG1 VAL A1564 19.371 32.526 26.160 1.00 93.41 C ATOM 518 CG2 VAL A1564 17.222 33.241 25.069 1.00 87.73 C ATOM 519 H VAL A1564 15.377 32.231 26.317 1.00 0.00 H ATOM 520 N ASN A1565 16.377 32.309 29.047 1.00 61.84 N ATOM 521 CA ASN A1565 16.303 32.425 30.537 1.00 64.02 C ATOM 522 C ASN A1565 14.917 32.091 31.008 1.00 67.23 C ATOM 523 O ASN A1565 14.005 32.919 31.093 1.00 55.35 O ATOM 524 CB ASN A1565 16.745 33.758 30.989 1.00 75.04 C ATOM 525 CG ASN A1565 18.127 34.082 30.491 1.00 85.54 C ATOM 526 OD1 ASN A1565 19.075 33.341 30.749 1.00 86.80 O ATOM 527 ND2 ASN A1565 18.245 35.166 29.738 1.00101.80 N ATOM 528 HD22 ASN A1565 17.413 35.761 29.549 1.00 0.00 H ATOM 529 HD21 ASN A1565 19.170 35.422 29.336 1.00 0.00 H ATOM 530 H ASN A1565 15.692 32.831 28.464 1.00 0.00 H ATOM 531 N PRO A1566 14.708 30.808 31.188 1.00 74.67 N ATOM 532 CA PRO A1566 13.366 30.455 31.540 1.00 64.19 C ATOM 533 C PRO A1566 13.228 30.659 33.037 1.00 58.61 C ATOM 534 O PRO A1566 14.218 30.652 33.770 1.00 58.05 O ATOM 535 CB PRO A1566 13.263 28.994 31.102 1.00 70.64 C ATOM 536 CG PRO A1566 14.671 28.487 31.123 1.00 66.88 C ATOM 537 CD PRO A1566 15.550 29.652 30.807 1.00 64.11 C ATOM 538 N VAL A1567 11.989 30.847 33.458 1.00 40.78 N ATOM 539 CA VAL A1567 11.585 31.070 34.820 1.00 51.43 C ATOM 540 C VAL A1567 10.125 30.547 34.940 1.00 47.07 C ATOM 541 O VAL A1567 9.380 30.486 33.920 1.00 45.14 O ATOM 542 CB VAL A1567 11.712 32.597 35.149 1.00 56.91 C ATOM 543 CG1 VAL A1567 10.633 33.382 34.424 1.00 58.48 C ATOM 544 CG2 VAL A1567 11.616 32.797 36.626 1.00 78.96 C ATOM 545 H VAL A1567 11.238 30.832 32.739 1.00 0.00 H ATOM 546 N ASP A1568 9.734 30.171 36.158 1.00 43.98 N ATOM 547 CA ASP A1568 8.317 29.836 36.509 1.00 47.59 C ATOM 548 C ASP A1568 8.126 30.195 38.025 1.00 40.90 C ATOM 549 O ASP A1568 9.133 30.395 38.763 1.00 44.42 O ATOM 550 CB ASP A1568 8.142 28.312 36.337 1.00 59.22 C ATOM 551 CG ASP A1568 9.012 27.543 37.340 1.00 55.96 C ATOM 552 OD1 ASP A1568 10.216 27.391 37.027 1.00 52.22 O ATOM 553 OD2 ASP A1568 8.527 27.243 38.463 1.00 59.31 O ATOM 554 H ASP A1568 10.453 30.107 36.906 1.00 0.00 H ATOM 555 N LEU A1569 6.872 30.165 38.512 1.00 40.74 N ATOM 556 CA LEU A1569 6.528 30.610 39.903 1.00 42.40 C ATOM 557 C LEU A1569 7.084 29.744 40.996 1.00 47.32 C ATOM 558 O LEU A1569 7.292 30.264 42.081 1.00 49.77 O ATOM 559 CB LEU A1569 4.976 30.663 40.132 1.00 43.51 C ATOM 560 CG LEU A1569 4.298 31.685 39.160 1.00 40.09 C ATOM 561 CD1 LEU A1569 2.755 31.640 39.281 1.00 50.78 C ATOM 562 CD2 LEU A1569 4.848 33.145 39.316 1.00 45.36 C ATOM 563 H LEU A1569 6.108 29.818 37.897 1.00 0.00 H ATOM 564 N GLU A1570 7.305 28.433 40.724 1.00 50.86 N ATOM 565 CA GLU A1570 7.920 27.544 41.703 1.00 48.83 C ATOM 566 C GLU A1570 9.401 27.747 41.885 1.00 38.41 C ATOM 567 O GLU A1570 9.916 27.780 43.032 1.00 47.36 O ATOM 568 CB GLU A1570 7.704 26.022 41.420 1.00 56.91 C ATOM 569 CG GLU A1570 6.381 25.470 42.001 1.00 75.10 C ATOM 570 CD GLU A1570 6.316 25.433 43.539 1.00173.33 C ATOM 571 OE1 GLU A1570 7.353 25.039 44.203 1.00 73.47 O ATOM 572 OE2 GLU A1570 5.209 25.808 44.072 1.00 83.26 O ATOM 573 H GLU A1570 7.029 28.053 39.796 1.00 0.00 H ATOM 574 N THR A1571 10.107 27.871 40.795 1.00 46.07 N ATOM 575 CA THR A1571 11.536 28.275 40.897 1.00 51.19 C ATOM 576 C THR A1571 11.734 29.659 41.568 1.00 52.64 C ATOM 577 O THR A1571 12.735 29.880 42.243 1.00 53.10 O ATOM 578 CB THR A1571 12.116 28.319 39.499 1.00 53.74 C ATOM 579 OG1 THR A1571 11.897 27.035 38.890 1.00 58.91 O ATOM 580 CG2 THR A1571 13.559 28.609 39.544 1.00 52.54 C ATOM 581 HG1 THR A1571 10.925 26.850 38.853 1.00 0.00 H ATOM 582 H THR A1571 9.677 27.690 39.866 1.00 0.00 H ATOM 583 N ILE A1572 10.773 30.577 41.394 1.00 61.43 N ATOM 584 CA ILE A1572 10.906 31.879 42.057 1.00 67.20 C ATOM 585 C ILE A1572 10.716 31.684 43.575 1.00 52.22 C ATOM 586 O ILE A1572 11.516 32.195 44.348 1.00 46.97 O ATOM 587 CB ILE A1572 10.002 32.953 41.420 1.00 50.30 C ATOM 588 CG1 ILE A1572 10.500 33.248 40.005 1.00 52.32 C ATOM 589 CG2 ILE A1572 10.028 34.263 42.203 1.00 60.33 C ATOM 590 CD1 ILE A1572 9.588 34.202 39.254 1.00 52.00 C ATOM 591 H ILE A1572 9.946 30.370 40.798 1.00 0.00 H ATOM 592 N ARG A1573 9.693 30.930 43.997 1.00 51.08 N ATOM 593 CA ARG A1573 9.588 30.490 45.426 1.00 45.49 C ATOM 594 C ARG A1573 10.867 29.854 46.036 1.00 50.59 C ATOM 595 O ARG A1573 11.337 30.250 47.092 1.00 52.56 O ATOM 596 CB ARG A1573 8.513 29.522 45.571 1.00 47.46 C ATOM 597 CG ARG A1573 7.104 30.012 45.734 1.00 57.34 C ATOM 598 CD ARG A1573 6.655 29.553 47.145 1.00 48.23 C ATOM 599 NE ARG A1573 5.837 28.393 47.202 1.00 69.52 N ATOM 600 CZ ARG A1573 6.249 27.137 47.446 1.00136.24 C ATOM 601 NH1 ARG A1573 5.336 26.170 47.449 1.00174.34 N ATOM 602 NH2 ARG A1573 7.531 26.810 47.704 1.00112.96 N ATOM 603 HE ARG A1573 4.819 28.529 47.039 1.00 0.00 H ATOM 604 HH12 ARG A1573 5.620 25.187 47.634 1.00 0.00 H ATOM 605 HH11 ARG A1573 4.338 26.397 47.266 1.00 0.00 H ATOM 606 HH22 ARG A1573 7.788 25.819 47.885 1.00 0.00 H ATOM 607 HH21 ARG A1573 8.263 27.549 47.722 1.00 0.00 H ATOM 608 H ARG A1573 8.957 30.644 43.320 1.00 0.00 H ATOM 609 N LYS A1574 11.458 28.913 45.343 1.00 46.33 N ATOM 610 CA LYS A1574 12.755 28.383 45.787 1.00 53.68 C ATOM 611 C LYS A1574 13.826 29.417 45.986 1.00 43.57 C ATOM 612 O LYS A1574 14.473 29.484 47.039 1.00 64.25 O ATOM 613 CB LYS A1574 13.255 27.242 44.846 1.00 57.67 C ATOM 614 CG LYS A1574 14.792 27.146 44.658 1.00 99.86 C ATOM 615 H LYS A1574 11.011 28.542 44.481 1.00 0.00 H ATOM 616 N ASN A1575 14.068 30.233 44.978 1.00 62.29 N ATOM 617 CA ASN A1575 14.983 31.444 45.138 1.00 51.80 C ATOM 618 C ASN A1575 14.746 32.315 46.348 1.00 48.81 C ATOM 619 O ASN A1575 15.677 32.719 47.005 1.00 56.95 O ATOM 620 CB ASN A1575 14.866 32.337 43.905 1.00 62.84 C ATOM 621 CG ASN A1575 15.340 31.626 42.664 1.00 70.44 C ATOM 622 OD1 ASN A1575 15.930 30.584 42.738 1.00 75.56 O ATOM 623 ND2 ASN A1575 15.034 32.141 41.558 1.00 60.81 N ATOM 624 HD22 ASN A1575 14.522 33.046 41.530 1.00 0.00 H ATOM 625 HD21 ASN A1575 15.293 31.662 40.672 1.00 0.00 H ATOM 626 H ASN A1575 13.626 30.047 44.055 1.00 0.00 H ATOM 627 N ILE A1576 13.473 32.583 46.624 1.00 43.84 N ATOM 628 CA ILE A1576 13.034 33.404 47.708 1.00 56.29 C ATOM 629 C ILE A1576 13.343 32.674 48.981 1.00 63.05 C ATOM 630 O ILE A1576 13.802 33.318 49.898 1.00 55.65 O ATOM 631 CB ILE A1576 11.504 33.678 47.681 1.00 53.51 C ATOM 632 CG1 ILE A1576 11.161 34.636 46.535 1.00 44.44 C ATOM 633 CG2 ILE A1576 11.024 34.250 49.047 1.00 52.42 C ATOM 634 CD1 ILE A1576 9.696 34.596 46.179 1.00 45.33 C ATOM 635 H ILE A1576 12.746 32.166 46.008 1.00 0.00 H ATOM 636 N SER A1577 13.034 31.370 49.048 1.00 44.72 N ATOM 637 CA SER A1577 13.320 30.534 50.242 1.00 52.14 C ATOM 638 C SER A1577 14.849 30.502 50.583 1.00 53.02 C ATOM 639 O SER A1577 15.248 30.381 51.745 1.00 59.42 O ATOM 640 CB SER A1577 12.793 29.108 50.023 1.00 63.55 C ATOM 641 OG SER A1577 13.769 28.323 49.345 1.00 69.46 O ATOM 642 HG SER A1577 13.969 28.734 48.467 1.00 0.00 H ATOM 643 H SER A1577 12.574 30.925 48.228 1.00 0.00 H ATOM 644 N LYS A1578 15.677 30.669 49.550 1.00 51.65 N ATOM 645 CA LYS A1578 17.164 30.822 49.683 1.00 55.32 C ATOM 646 C LYS A1578 17.667 32.291 49.704 1.00 77.75 C ATOM 647 O LYS A1578 18.865 32.505 49.519 1.00 69.29 O ATOM 648 CB LYS A1578 17.889 30.121 48.492 1.00 58.48 C ATOM 649 CG LYS A1578 17.520 28.658 48.151 1.00 61.85 C ATOM 650 H LYS A1578 15.267 30.695 48.595 1.00 0.00 H ATOM 651 N HIS A1579 16.778 33.293 49.856 1.00 73.81 N ATOM 652 CA HIS A1579 17.154 34.744 49.970 1.00 69.21 C ATOM 653 C HIS A1579 17.969 35.256 48.778 1.00 62.64 C ATOM 654 O HIS A1579 18.875 36.063 48.928 1.00 75.57 O ATOM 655 CB HIS A1579 17.842 35.027 51.351 1.00 56.37 C ATOM 656 CG HIS A1579 16.976 34.645 52.502 1.00 51.22 C ATOM 657 ND1 HIS A1579 15.731 35.205 52.683 1.00 68.14 N ATOM 658 CD2 HIS A1579 17.048 33.617 53.368 1.00 57.65 C ATOM 659 CE1 HIS A1579 15.116 34.596 53.677 1.00 60.20 C ATOM 660 NE2 HIS A1579 15.880 33.605 54.088 1.00 59.12 N ATOM 661 H HIS A1579 15.768 33.047 49.897 1.00 0.00 H ATOM 662 N LYS A1580 17.674 34.739 47.600 1.00 60.03 N ATOM 663 CA LYS A1580 18.406 35.119 46.422 1.00 61.22 C ATOM 664 C LYS A1580 18.209 36.602 46.091 1.00 71.38 C ATOM 665 O LYS A1580 19.159 37.213 45.572 1.00 75.02 O ATOM 666 CB LYS A1580 17.989 34.261 45.218 1.00 67.82 C ATOM 667 CG LYS A1580 18.322 34.908 43.873 1.00 88.70 C ATOM 668 CD LYS A1580 17.978 34.102 42.631 1.00 96.50 C ATOM 669 CE LYS A1580 18.216 34.987 41.399 1.00 99.77 C ATOM 670 NZ LYS A1580 17.676 34.474 40.098 1.00 92.29 N ATOM 671 HZ1 LYS A1580 18.114 33.556 39.880 1.00 0.00 H ATOM 672 HZ2 LYS A1580 16.645 34.359 40.173 1.00 0.00 H ATOM 673 HZ3 LYS A1580 17.896 35.153 39.341 1.00 0.00 H ATOM 674 H LYS A1580 16.901 34.047 47.523 1.00 0.00 H ATOM 675 N TYR A1581 17.005 37.153 46.366 1.00 56.65 N ATOM 676 CA TYR A1581 16.568 38.527 45.913 1.00 58.09 C ATOM 677 C TYR A1581 16.766 39.493 47.017 1.00 59.08 C ATOM 678 O TYR A1581 16.143 39.403 48.071 1.00 63.65 O ATOM 679 CB TYR A1581 15.090 38.570 45.594 1.00 52.67 C ATOM 680 CG TYR A1581 14.738 37.597 44.508 1.00 56.12 C ATOM 681 CD1 TYR A1581 15.208 37.768 43.199 1.00 53.75 C ATOM 682 CD2 TYR A1581 13.935 36.500 44.780 1.00 68.82 C ATOM 683 CE1 TYR A1581 14.870 36.880 42.211 1.00 63.21 C ATOM 684 CE2 TYR A1581 13.588 35.591 43.789 1.00 52.62 C ATOM 685 CZ TYR A1581 14.047 35.791 42.521 1.00 55.09 C ATOM 686 OH TYR A1581 13.661 34.903 41.588 1.00 51.32 O ATOM 687 HH TYR A1581 14.055 35.152 40.714 1.00 0.00 H ATOM 688 H TYR A1581 16.333 36.592 46.928 1.00 0.00 H ATOM 689 N GLN A1582 17.721 40.356 46.824 1.00 69.49 N ATOM 690 CA GLN A1582 18.119 41.229 47.903 1.00 70.78 C ATOM 691 C GLN A1582 17.608 42.636 47.619 1.00 67.64 C ATOM 692 O GLN A1582 17.585 43.472 48.508 1.00 81.31 O ATOM 693 CB GLN A1582 19.630 41.058 48.171 1.00 83.32 C ATOM 694 CG GLN A1582 19.962 39.594 48.581 1.00 73.32 C ATOM 695 CD GLN A1582 21.443 39.309 48.743 1.00 82.83 C ATOM 696 OE1 GLN A1582 22.247 40.226 48.897 1.00102.78 O ATOM 697 NE2 GLN A1582 21.810 38.021 48.736 1.00105.06 N ATOM 698 HE22 GLN A1582 21.095 37.277 48.602 1.00 0.00 H ATOM 699 HE21 GLN A1582 22.810 37.764 48.864 1.00 0.00 H ATOM 700 H GLN A1582 18.194 40.416 45.900 1.00 0.00 H ATOM 701 N SER A1583 17.097 42.856 46.403 1.00 96.42 N ATOM 702 CA SER A1583 16.430 44.111 45.998 1.00 68.36 C ATOM 703 C SER A1583 15.076 43.875 45.283 1.00 63.40 C ATOM 704 O SER A1583 14.649 42.749 44.935 1.00 71.90 O ATOM 705 CB SER A1583 17.385 44.974 45.152 1.00 62.82 C ATOM 706 OG SER A1583 17.882 44.272 43.999 1.00 69.15 O ATOM 707 HG SER A1583 18.489 44.865 43.489 1.00 0.00 H ATOM 708 H SER A1583 17.174 42.096 45.698 1.00 0.00 H ATOM 709 N ARG A1584 14.342 44.944 45.139 1.00 65.57 N ATOM 710 CA ARG A1584 13.087 44.913 44.417 1.00 83.33 C ATOM 711 C ARG A1584 13.326 44.576 42.957 1.00101.31 C ATOM 712 O ARG A1584 12.565 43.818 42.326 1.00 76.21 O ATOM 713 CB ARG A1584 12.440 46.268 44.466 1.00 79.27 C ATOM 714 CG ARG A1584 11.024 46.194 44.021 1.00 96.72 C ATOM 715 CD ARG A1584 10.275 47.287 44.664 1.00 67.05 C ATOM 716 NE ARG A1584 10.630 48.481 43.967 1.00 95.36 N ATOM 717 CZ ARG A1584 9.896 49.585 43.945 1.00149.57 C ATOM 718 NH1 ARG A1584 10.308 50.642 43.242 1.00188.72 N ATOM 719 NH2 ARG A1584 8.746 49.643 44.611 1.00 82.98 N ATOM 720 HE ARG A1584 11.527 48.485 43.440 1.00 0.00 H ATOM 721 HH12 ARG A1584 9.734 51.509 43.223 1.00 0.00 H ATOM 722 HH11 ARG A1584 11.203 50.598 42.713 1.00 0.00 H ATOM 723 HH22 ARG A1584 8.176 50.512 44.589 1.00 0.00 H ATOM 724 HH21 ARG A1584 8.417 48.819 45.154 1.00 0.00 H ATOM 725 H ARG A1584 14.666 45.841 45.553 1.00 0.00 H ATOM 726 N GLU A1585 14.402 45.151 42.434 1.00 71.14 N ATOM 727 CA GLU A1585 14.685 45.083 41.020 1.00 65.22 C ATOM 728 C GLU A1585 15.099 43.686 40.643 1.00 60.68 C ATOM 729 O GLU A1585 14.642 43.221 39.638 1.00 64.32 O ATOM 730 CB GLU A1585 15.773 46.076 40.591 1.00 79.41 C ATOM 731 CG GLU A1585 15.919 46.238 39.082 1.00109.04 C ATOM 732 CD GLU A1585 17.346 46.135 38.560 1.00132.36 C ATOM 733 OE1 GLU A1585 17.506 46.108 37.318 1.00121.04 O ATOM 734 OE2 GLU A1585 18.304 46.078 39.360 1.00117.78 O ATOM 735 H GLU A1585 15.057 45.663 43.058 1.00 0.00 H ATOM 736 N SER A1586 15.947 43.027 41.431 1.00 68.91 N ATOM 737 CA SER A1586 16.362 41.622 41.166 1.00 72.33 C ATOM 738 C SER A1586 15.169 40.658 41.029 1.00 63.25 C ATOM 739 O SER A1586 15.152 39.716 40.157 1.00 64.54 O ATOM 740 CB SER A1586 17.282 41.106 42.274 1.00 64.51 C ATOM 741 OG SER A1586 16.576 41.003 43.491 1.00 79.22 O ATOM 742 HG SER A1586 16.230 41.895 43.747 1.00 0.00 H ATOM 743 H SER A1586 16.335 43.513 42.265 1.00 0.00 H ATOM 744 N PHE A1587 14.175 40.923 41.875 1.00 53.60 N ATOM 745 CA PHE A1587 12.958 40.125 41.903 1.00 51.05 C ATOM 746 C PHE A1587 12.126 40.427 40.688 1.00 60.13 C ATOM 747 O PHE A1587 11.652 39.486 39.997 1.00 56.54 O ATOM 748 CB PHE A1587 12.188 40.344 43.201 1.00 44.76 C ATOM 749 CG PHE A1587 10.793 39.733 43.219 1.00 47.78 C ATOM 750 CD1 PHE A1587 10.597 38.352 43.334 1.00 48.20 C ATOM 751 CD2 PHE A1587 9.648 40.572 43.194 1.00 46.89 C ATOM 752 CE1 PHE A1587 9.322 37.798 43.327 1.00 43.47 C ATOM 753 CE2 PHE A1587 8.356 40.022 43.208 1.00 48.92 C ATOM 754 CZ PHE A1587 8.216 38.606 43.270 1.00 45.95 C ATOM 755 H PHE A1587 14.271 41.722 42.534 1.00 0.00 H ATOM 756 N LEU A1588 11.896 41.719 40.436 1.00 63.10 N ATOM 757 CA LEU A1588 11.146 42.142 39.253 1.00 50.37 C ATOM 758 C LEU A1588 11.805 41.726 37.923 1.00 41.61 C ATOM 759 O LEU A1588 11.113 41.357 36.965 1.00 53.89 O ATOM 760 CB LEU A1588 10.818 43.638 39.335 1.00 52.69 C ATOM 761 CG LEU A1588 9.738 44.029 40.352 1.00 69.27 C ATOM 762 CD1 LEU A1588 9.513 45.543 40.255 1.00 57.52 C ATOM 763 CD2 LEU A1588 8.410 43.283 40.255 1.00 62.07 C ATOM 764 H LEU A1588 12.257 42.439 41.094 1.00 0.00 H ATOM 765 N ASP A1589 13.137 41.662 37.855 1.00 55.29 N ATOM 766 CA ASP A1589 13.808 41.075 36.658 1.00 52.66 C ATOM 767 C ASP A1589 13.273 39.649 36.359 1.00 56.37 C ATOM 768 O ASP A1589 13.021 39.354 35.209 1.00 55.79 O ATOM 769 CB ASP A1589 15.353 40.917 36.835 1.00 91.25 C ATOM 770 CG ASP A1589 16.173 42.216 36.648 1.00 84.19 C ATOM 771 OD1 ASP A1589 15.618 43.301 36.422 1.00 69.22 O ATOM 772 OD2 ASP A1589 17.425 42.142 36.757 1.00101.93 O ATOM 773 H ASP A1589 13.712 42.024 38.643 1.00 0.00 H ATOM 774 N ASP A1590 13.125 38.772 37.375 1.00 51.48 N ATOM 775 CA ASP A1590 12.676 37.350 37.093 1.00 49.84 C ATOM 776 C ASP A1590 11.224 37.316 36.791 1.00 51.14 C ATOM 777 O ASP A1590 10.758 36.489 36.015 1.00 58.67 O ATOM 778 CB ASP A1590 12.963 36.397 38.247 1.00 53.43 C ATOM 779 CG ASP A1590 14.392 35.949 38.267 1.00 65.83 C ATOM 780 OD1 ASP A1590 15.073 36.141 37.246 1.00 78.75 O ATOM 781 OD2 ASP A1590 14.839 35.395 39.291 1.00 60.97 O ATOM 782 H ASP A1590 13.319 39.071 38.352 1.00 0.00 H ATOM 783 N VAL A1591 10.500 38.251 37.400 1.00 53.55 N ATOM 784 CA VAL A1591 9.049 38.320 37.190 1.00 46.50 C ATOM 785 C VAL A1591 8.762 38.788 35.801 1.00 62.32 C ATOM 786 O VAL A1591 7.797 38.324 35.156 1.00 50.34 O ATOM 787 CB VAL A1591 8.435 39.289 38.161 1.00 55.43 C ATOM 788 CG1 VAL A1591 6.989 39.644 37.775 1.00 51.74 C ATOM 789 CG2 VAL A1591 8.576 38.739 39.605 1.00 62.03 C ATOM 790 H VAL A1591 10.965 38.937 38.029 1.00 0.00 H ATOM 791 N ASN A1592 9.584 39.738 35.335 1.00 53.72 N ATOM 792 CA ASN A1592 9.336 40.284 34.009 1.00 56.39 C ATOM 793 C ASN A1592 9.561 39.246 32.913 1.00 51.13 C ATOM 794 O ASN A1592 8.821 39.303 31.929 1.00 55.22 O ATOM 795 CB ASN A1592 10.160 41.516 33.723 1.00 55.00 C ATOM 796 CG ASN A1592 9.734 42.735 34.510 1.00 50.40 C ATOM 797 OD1 ASN A1592 8.609 42.909 35.049 1.00 56.73 O ATOM 798 ND2 ASN A1592 10.673 43.574 34.617 1.00 51.30 N ATOM 799 HD22 ASN A1592 11.588 43.393 34.156 1.00 0.00 H ATOM 800 HD21 ASN A1592 10.531 44.446 35.166 1.00 0.00 H ATOM 801 H ASN A1592 10.382 40.078 35.909 1.00 0.00 H ATOM 802 N LEU A1593 10.530 38.324 33.107 1.00 55.44 N ATOM 803 CA LEU A1593 10.761 37.172 32.214 1.00 49.18 C ATOM 804 C LEU A1593 9.525 36.310 32.042 1.00 50.93 C ATOM 805 O LEU A1593 9.335 35.660 30.991 1.00 57.21 O ATOM 806 CB LEU A1593 11.886 36.296 32.713 1.00 55.41 C ATOM 807 CG LEU A1593 13.336 36.774 32.707 1.00 51.11 C ATOM 808 CD1 LEU A1593 14.210 35.781 33.512 1.00 56.24 C ATOM 809 CD2 LEU A1593 13.854 36.910 31.269 1.00 62.61 C ATOM 810 H LEU A1593 11.150 38.433 33.935 1.00 0.00 H ATOM 811 N ILE A1594 8.655 36.260 33.036 1.00 58.44 N ATOM 812 CA ILE A1594 7.411 35.448 32.852 1.00 60.32 C ATOM 813 C ILE A1594 6.666 35.902 31.562 1.00 65.51 C ATOM 814 O ILE A1594 6.272 35.094 30.735 1.00 54.30 O ATOM 815 CB ILE A1594 6.463 35.522 34.059 1.00 56.70 C ATOM 816 CG1 ILE A1594 7.134 34.940 35.328 1.00 75.56 C ATOM 817 CG2 ILE A1594 5.142 34.809 33.765 1.00 61.00 C ATOM 818 CD1 ILE A1594 6.367 35.239 36.593 1.00 64.56 C ATOM 819 H ILE A1594 8.830 36.772 33.924 1.00 0.00 H ATOM 820 N LEU A1595 6.485 37.210 31.428 1.00 50.65 N ATOM 821 CA LEU A1595 5.759 37.823 30.307 1.00 58.65 C ATOM 822 C LEU A1595 6.612 37.834 29.053 1.00 62.04 C ATOM 823 O LEU A1595 6.134 37.429 28.006 1.00 61.96 O ATOM 824 CB LEU A1595 5.361 39.260 30.687 1.00 56.51 C ATOM 825 CG LEU A1595 4.525 39.978 29.643 1.00 54.83 C ATOM 826 CD1 LEU A1595 3.195 39.339 29.262 1.00 60.75 C ATOM 827 CD2 LEU A1595 4.291 41.373 30.206 1.00 58.27 C ATOM 828 H LEU A1595 6.880 37.837 32.158 1.00 0.00 H ATOM 829 N ALA A1596 7.886 38.223 29.206 1.00 53.98 N ATOM 830 CA ALA A1596 8.789 38.366 28.129 1.00 54.09 C ATOM 831 C ALA A1596 9.081 37.028 27.418 1.00 70.41 C ATOM 832 O ALA A1596 9.110 36.974 26.190 1.00 77.07 O ATOM 833 CB ALA A1596 10.103 38.982 28.589 1.00 47.59 C ATOM 834 H ALA A1596 8.227 38.430 30.167 1.00 0.00 H ATOM 835 N ASN A1597 9.330 35.965 28.155 1.00 61.36 N ATOM 836 CA ASN A1597 9.413 34.624 27.524 1.00 53.38 C ATOM 837 C ASN A1597 8.082 34.238 26.838 1.00 45.71 C ATOM 838 O ASN A1597 8.128 33.772 25.716 1.00 53.13 O ATOM 839 CB ASN A1597 9.850 33.587 28.524 1.00 54.09 C ATOM 840 CG ASN A1597 11.235 33.805 29.036 1.00 55.64 C ATOM 841 OD1 ASN A1597 12.109 34.419 28.346 1.00 57.66 O ATOM 842 ND2 ASN A1597 11.488 33.262 30.285 1.00 51.30 N ATOM 843 HD22 ASN A1597 10.731 32.771 30.801 1.00 0.00 H ATOM 844 HD21 ASN A1597 12.435 33.346 30.706 1.00 0.00 H ATOM 845 H ASN A1597 9.469 36.065 29.181 1.00 0.00 H ATOM 846 N SER A1598 6.902 34.498 27.442 1.00 47.75 N ATOM 847 CA SER A1598 5.606 34.185 26.738 1.00 44.13 C ATOM 848 C SER A1598 5.417 34.955 25.418 1.00 52.66 C ATOM 849 O SER A1598 5.018 34.385 24.412 1.00 57.59 O ATOM 850 CB SER A1598 4.353 34.319 27.662 1.00 50.56 C ATOM 851 OG SER A1598 3.124 33.927 26.980 1.00 57.28 O ATOM 852 HG SER A1598 2.988 34.506 26.189 1.00 0.00 H ATOM 853 H SER A1598 6.887 34.915 28.395 1.00 0.00 H ATOM 854 N VAL A1599 5.743 36.245 25.393 1.00 62.05 N ATOM 855 CA VAL A1599 5.643 37.028 24.116 1.00 57.54 C ATOM 856 C VAL A1599 6.595 36.473 23.031 1.00 55.19 C ATOM 857 O VAL A1599 6.153 36.222 21.905 1.00 59.14 O ATOM 858 CB VAL A1599 5.927 38.566 24.274 1.00 62.45 C ATOM 859 CG1 VAL A1599 5.805 39.267 22.907 1.00 54.80 C ATOM 860 CG2 VAL A1599 4.940 39.200 25.253 1.00 59.57 C ATOM 861 H VAL A1599 6.069 36.713 26.263 1.00 0.00 H ATOM 862 N LYS A1600 7.874 36.266 23.409 1.00 60.32 N ATOM 863 CA LYS A1600 8.912 35.652 22.567 1.00 57.17 C ATOM 864 C LYS A1600 8.447 34.258 22.041 1.00 70.94 C ATOM 865 O LYS A1600 8.388 34.060 20.862 1.00 73.33 O ATOM 866 CB LYS A1600 10.258 35.521 23.359 1.00 69.27 C ATOM 867 CG LYS A1600 11.481 35.037 22.564 1.00 81.30 C ATOM 868 CD LYS A1600 12.841 35.390 23.178 1.00 96.28 C ATOM 869 CE LYS A1600 13.974 35.045 22.195 1.00104.38 C ATOM 870 NZ LYS A1600 15.314 35.376 22.768 1.00161.02 N ATOM 871 HZ1 LYS A1600 15.358 36.394 22.979 1.00 0.00 H ATOM 872 HZ2 LYS A1600 15.459 34.833 23.643 1.00 0.00 H ATOM 873 HZ3 LYS A1600 16.054 35.131 22.080 1.00 0.00 H ATOM 874 H LYS A1600 8.146 36.563 24.368 1.00 0.00 H ATOM 875 N TYR A1601 8.070 33.324 22.903 1.00 69.64 N ATOM 876 CA TYR A1601 7.622 32.001 22.431 1.00 63.41 C ATOM 877 C TYR A1601 6.248 31.983 21.735 1.00 57.99 C ATOM 878 O TYR A1601 6.105 31.252 20.781 1.00 68.60 O ATOM 879 CB TYR A1601 7.611 30.967 23.584 1.00 69.44 C ATOM 880 CG TYR A1601 7.603 29.523 23.067 1.00 71.99 C ATOM 881 CD1 TYR A1601 8.772 28.939 22.608 1.00 62.51 C ATOM 882 CD2 TYR A1601 6.424 28.770 23.014 1.00 60.87 C ATOM 883 CE1 TYR A1601 8.784 27.640 22.111 1.00 63.00 C ATOM 884 CE2 TYR A1601 6.409 27.456 22.515 1.00 70.43 C ATOM 885 CZ TYR A1601 7.607 26.888 22.053 1.00 57.58 C ATOM 886 OH TYR A1601 7.723 25.558 21.556 1.00 79.82 O ATOM 887 HH TYR A1601 8.661 25.387 21.291 1.00 0.00 H ATOM 888 H TYR A1601 8.090 33.527 23.923 1.00 0.00 H ATOM 889 N ASN A1602 5.241 32.711 22.259 1.00 62.65 N ATOM 890 CA ASN A1602 3.828 32.666 21.733 1.00 52.21 C ATOM 891 C ASN A1602 3.339 33.856 20.978 1.00 61.84 C ATOM 892 O ASN A1602 2.269 33.776 20.425 1.00 68.99 O ATOM 893 CB ASN A1602 2.750 32.476 22.874 1.00 66.45 C ATOM 894 CG ASN A1602 2.572 31.017 23.254 1.00 82.26 C ATOM 895 OD1 ASN A1602 1.626 30.278 22.820 1.00 78.15 O ATOM 896 ND2 ASN A1602 3.582 30.546 23.908 1.00 70.29 N ATOM 897 HD22 ASN A1602 4.330 31.187 24.242 1.00 0.00 H ATOM 898 HD21 ASN A1602 3.647 29.526 24.100 1.00 0.00 H ATOM 899 H ASN A1602 5.449 33.334 23.065 1.00 0.00 H ATOM 900 N GLY A1603 4.004 35.003 21.055 1.00 63.21 N ATOM 901 CA GLY A1603 3.368 36.227 20.572 1.00 67.78 C ATOM 902 C GLY A1603 2.279 36.846 21.480 1.00 62.35 C ATOM 903 O GLY A1603 1.853 36.287 22.480 1.00 67.56 O ATOM 904 H GLY A1603 4.964 35.030 21.454 1.00 0.00 H ATOM 905 N PRO A1604 1.818 38.028 21.108 1.00 73.23 N ATOM 906 CA PRO A1604 0.957 38.826 21.987 1.00 70.37 C ATOM 907 C PRO A1604 -0.523 38.396 21.979 1.00 81.25 C ATOM 908 O PRO A1604 -1.266 38.764 22.886 1.00 77.14 O ATOM 909 CB PRO A1604 1.061 40.200 21.342 1.00 67.57 C ATOM 910 CG PRO A1604 1.131 39.874 19.815 1.00 74.95 C ATOM 911 CD PRO A1604 1.996 38.647 19.754 1.00 76.62 C ATOM 912 N GLU A1605 -0.954 37.730 20.912 1.00 75.93 N ATOM 913 CA GLU A1605 -2.307 37.303 20.747 1.00 83.67 C ATOM 914 C GLU A1605 -2.598 36.095 21.735 1.00 85.16 C ATOM 915 O GLU A1605 -3.737 35.924 22.153 1.00 85.16 O ATOM 916 CB GLU A1605 -2.536 36.981 19.265 1.00 75.18 C ATOM 917 H GLU A1605 -0.271 37.509 20.159 1.00 0.00 H ATOM 918 N SER A1606 -1.610 35.312 22.200 1.00 73.10 N ATOM 919 CA SER A1606 -1.961 34.010 22.851 1.00 73.08 C ATOM 920 C SER A1606 -2.446 33.987 24.314 1.00 60.85 C ATOM 921 O SER A1606 -2.179 34.897 25.126 1.00 55.48 O ATOM 922 CB SER A1606 -0.914 32.952 22.586 1.00 79.28 C ATOM 923 OG SER A1606 -0.116 32.660 23.648 1.00 68.66 O ATOM 924 HG SER A1606 0.536 31.962 23.387 1.00 0.00 H ATOM 925 H SER A1606 -0.617 35.606 22.109 1.00 0.00 H ATOM 926 N GLN A1607 -3.211 32.966 24.652 1.00 62.44 N ATOM 927 CA GLN A1607 -3.676 32.828 26.052 1.00 58.20 C ATOM 928 C GLN A1607 -2.526 32.704 27.020 1.00 49.95 C ATOM 929 O GLN A1607 -2.602 33.140 28.149 1.00 63.77 O ATOM 930 CB GLN A1607 -4.541 31.616 26.162 1.00 58.53 C ATOM 931 CG GLN A1607 -5.876 31.897 25.535 1.00 80.32 C ATOM 932 CD GLN A1607 -6.735 32.674 26.477 1.00 87.02 C ATOM 933 OE1 GLN A1607 -6.273 33.097 27.537 1.00111.59 O ATOM 934 NE2 GLN A1607 -7.994 32.833 26.130 1.00 93.73 N ATOM 935 HE22 GLN A1607 -8.335 32.456 25.223 1.00 0.00 H ATOM 936 HE21 GLN A1607 -8.648 33.335 26.763 1.00 0.00 H ATOM 937 H GLN A1607 -3.486 32.261 23.939 1.00 0.00 H ATOM 938 N TYR A1608 -1.449 32.083 26.585 1.00 48.15 N ATOM 939 CA TYR A1608 -0.287 32.052 27.416 1.00 49.06 C ATOM 940 C TYR A1608 0.166 33.477 27.740 1.00 54.65 C ATOM 941 O TYR A1608 0.487 33.797 28.915 1.00 57.15 O ATOM 942 CB TYR A1608 0.828 31.229 26.789 1.00 64.26 C ATOM 943 CG TYR A1608 0.459 29.737 26.741 1.00 65.24 C ATOM 944 CD1 TYR A1608 0.537 28.967 27.906 1.00 55.56 C ATOM 945 CD2 TYR A1608 0.015 29.092 25.508 1.00 53.34 C ATOM 946 CE1 TYR A1608 0.202 27.622 27.907 1.00 66.99 C ATOM 947 CE2 TYR A1608 -0.324 27.729 25.514 1.00 57.54 C ATOM 948 CZ TYR A1608 -0.255 27.005 26.736 1.00 54.24 C ATOM 949 OH TYR A1608 -0.603 25.691 26.904 1.00 58.96 O ATOM 950 HH TYR A1608 -0.461 25.431 27.849 1.00 0.00 H ATOM 951 H TYR A1608 -1.444 31.623 25.652 1.00 0.00 H ATOM 952 N THR A1609 0.186 34.329 26.718 1.00 64.28 N ATOM 953 CA THR A1609 0.546 35.752 26.876 1.00 60.62 C ATOM 954 C THR A1609 -0.518 36.526 27.674 1.00 49.33 C ATOM 955 O THR A1609 -0.172 37.297 28.575 1.00 51.25 O ATOM 956 CB THR A1609 0.978 36.369 25.527 1.00 57.66 C ATOM 957 OG1 THR A1609 2.254 35.791 25.155 1.00 63.58 O ATOM 958 CG2 THR A1609 1.180 37.839 25.696 1.00 62.16 C ATOM 959 HG1 THR A1609 2.549 36.174 24.291 1.00 0.00 H ATOM 960 H THR A1609 -0.062 33.979 25.771 1.00 0.00 H ATOM 961 N LYS A1610 -1.806 36.250 27.455 1.00 52.33 N ATOM 962 CA LYS A1610 -2.817 36.921 28.278 1.00 50.96 C ATOM 963 C LYS A1610 -2.672 36.554 29.781 1.00 76.93 C ATOM 964 O LYS A1610 -2.732 37.415 30.639 1.00 61.55 O ATOM 965 CB LYS A1610 -4.220 36.620 27.736 1.00 59.95 C ATOM 966 CG LYS A1610 -5.348 37.399 28.428 1.00 97.90 C ATOM 967 CD LYS A1610 -6.490 37.712 27.478 1.00108.51 C ATOM 968 CE LYS A1610 -6.054 38.526 26.253 1.00148.58 C ATOM 969 NZ LYS A1610 -6.047 37.676 25.018 1.00141.66 N ATOM 970 HZ1 LYS A1610 -5.384 36.885 25.147 1.00 0.00 H ATOM 971 HZ2 LYS A1610 -7.004 37.304 24.849 1.00 0.00 H ATOM 972 HZ3 LYS A1610 -5.749 38.251 24.205 1.00 0.00 H ATOM 973 H LYS A1610 -2.086 35.574 26.716 1.00 0.00 H ATOM 974 N THR A1611 -2.408 35.276 30.086 1.00 60.13 N ATOM 975 CA THR A1611 -2.242 34.841 31.443 1.00 40.78 C ATOM 976 C THR A1611 -0.923 35.324 32.002 1.00 49.00 C ATOM 977 O THR A1611 -0.892 35.767 33.117 1.00 48.75 O ATOM 978 CB THR A1611 -2.403 33.304 31.601 1.00 50.96 C ATOM 979 OG1 THR A1611 -3.652 32.928 31.015 1.00 47.41 O ATOM 980 CG2 THR A1611 -2.473 32.935 33.087 1.00 46.18 C ATOM 981 HG1 THR A1611 -3.653 33.176 30.056 1.00 0.00 H ATOM 982 H THR A1611 -2.321 34.580 29.318 1.00 0.00 H ATOM 983 N ALA A1612 0.172 35.318 31.260 1.00 41.45 N ATOM 984 CA ALA A1612 1.385 35.876 31.893 1.00 46.36 C ATOM 985 C ALA A1612 1.224 37.350 32.271 1.00 53.00 C ATOM 986 O ALA A1612 1.877 37.841 33.157 1.00 56.36 O ATOM 987 CB ALA A1612 2.585 35.717 30.979 1.00 52.40 C ATOM 988 H ALA A1612 0.179 34.943 30.290 1.00 0.00 H ATOM 989 N GLN A1613 0.343 38.020 31.563 1.00 58.48 N ATOM 990 CA GLN A1613 0.069 39.399 31.755 1.00 56.05 C ATOM 991 C GLN A1613 -0.681 39.599 33.037 1.00 54.24 C ATOM 992 O GLN A1613 -0.333 40.502 33.790 1.00 51.85 O ATOM 993 CB GLN A1613 -0.727 39.933 30.521 1.00 65.19 C ATOM 994 CG GLN A1613 -1.038 41.432 30.507 1.00105.83 C ATOM 995 CD GLN A1613 0.132 42.303 30.080 1.00 90.69 C ATOM 996 OE1 GLN A1613 0.693 42.098 28.995 1.00149.71 O ATOM 997 NE2 GLN A1613 0.472 43.331 30.903 1.00102.64 N ATOM 998 HE22 GLN A1613 -0.029 43.462 31.805 1.00 0.00 H ATOM 999 HE21 GLN A1613 1.233 43.986 30.630 1.00 0.00 H ATOM 1000 H GLN A1613 -0.182 37.512 30.822 1.00 0.00 H ATOM 1001 N GLU A1614 -1.700 38.785 33.303 1.00 54.68 N ATOM 1002 CA GLU A1614 -2.414 38.849 34.582 1.00 59.30 C ATOM 1003 C GLU A1614 -1.481 38.624 35.808 1.00 67.02 C ATOM 1004 O GLU A1614 -1.552 39.313 36.823 1.00 57.79 O ATOM 1005 CB GLU A1614 -3.521 37.814 34.602 1.00 61.96 C ATOM 1006 CG GLU A1614 -4.570 38.046 33.555 1.00 76.80 C ATOM 1007 CD GLU A1614 -5.514 36.884 33.380 1.00 81.60 C ATOM 1008 OE1 GLU A1614 -5.609 36.337 32.253 1.00167.93 O ATOM 1009 OE2 GLU A1614 -6.184 36.551 34.366 1.00 86.32 O ATOM 1010 H GLU A1614 -1.996 38.089 32.589 1.00 0.00 H ATOM 1011 N ILE A1615 -0.565 37.682 35.652 1.00 53.64 N ATOM 1012 CA ILE A1615 0.376 37.286 36.691 1.00 59.93 C ATOM 1013 C ILE A1615 1.333 38.408 36.993 1.00 47.04 C ATOM 1014 O ILE A1615 1.600 38.701 38.185 1.00 48.00 O ATOM 1015 CB ILE A1615 1.179 36.011 36.269 1.00 41.02 C ATOM 1016 CG1 ILE A1615 0.318 34.744 36.363 1.00 54.22 C ATOM 1017 CG2 ILE A1615 2.525 35.894 36.973 1.00 45.64 C ATOM 1018 CD1 ILE A1615 0.932 33.639 35.549 1.00 52.28 C ATOM 1019 H ILE A1615 -0.514 37.196 34.734 1.00 0.00 H ATOM 1020 N VAL A1616 1.927 38.978 35.948 1.00 49.70 N ATOM 1021 CA VAL A1616 2.874 40.152 36.125 1.00 51.63 C ATOM 1022 C VAL A1616 2.147 41.381 36.753 1.00 49.04 C ATOM 1023 O VAL A1616 2.646 42.040 37.693 1.00 52.16 O ATOM 1024 CB VAL A1616 3.682 40.427 34.846 1.00 54.46 C ATOM 1025 CG1 VAL A1616 4.515 41.698 34.945 1.00 62.19 C ATOM 1026 CG2 VAL A1616 4.574 39.221 34.561 1.00 58.65 C ATOM 1027 H VAL A1616 1.739 38.613 34.992 1.00 0.00 H ATOM 1028 N ASN A1617 0.905 41.529 36.334 1.00 62.51 N ATOM 1029 CA ASN A1617 0.061 42.647 36.715 1.00 62.40 C ATOM 1030 C ASN A1617 -0.200 42.691 38.185 1.00 60.28 C ATOM 1031 O ASN A1617 -0.073 43.698 38.841 1.00 51.02 O ATOM 1032 CB ASN A1617 -1.302 42.523 36.040 1.00 75.00 C ATOM 1033 CG ASN A1617 -1.597 43.647 35.190 1.00 87.34 C ATOM 1034 OD1 ASN A1617 -1.454 43.561 33.960 1.00 93.07 O ATOM 1035 ND2 ASN A1617 -1.963 44.764 35.824 1.00 91.79 N ATOM 1036 HD22 ASN A1617 -2.064 44.765 36.859 1.00 0.00 H ATOM 1037 HD21 ASN A1617 -2.147 45.633 35.283 1.00 0.00 H ATOM 1038 H ASN A1617 0.510 40.807 35.698 1.00 0.00 H ATOM 1039 N ILE A1618 -0.654 41.589 38.702 1.00 56.34 N ATOM 1040 CA ILE A1618 -0.978 41.531 40.122 1.00 52.24 C ATOM 1041 C ILE A1618 0.274 41.621 41.000 1.00 56.72 C ATOM 1042 O ILE A1618 0.211 42.142 42.077 1.00 60.44 O ATOM 1043 CB ILE A1618 -1.867 40.334 40.433 1.00 61.74 C ATOM 1044 CG1 ILE A1618 -2.652 40.640 41.696 1.00 58.67 C ATOM 1045 CG2 ILE A1618 -1.061 39.018 40.474 1.00 56.19 C ATOM 1046 CD1 ILE A1618 -3.546 39.487 42.041 1.00 87.63 C ATOM 1047 H ILE A1618 -0.786 40.749 38.103 1.00 0.00 H ATOM 1048 N CYS A1619 1.430 41.181 40.525 1.00 46.82 N ATOM 1049 CA CYS A1619 2.637 41.404 41.328 1.00 46.76 C ATOM 1050 C CYS A1619 2.899 42.914 41.339 1.00 47.99 C ATOM 1051 O CYS A1619 3.056 43.462 42.403 1.00 55.10 O ATOM 1052 CB CYS A1619 3.801 40.618 40.771 1.00 37.13 C ATOM 1053 SG CYS A1619 5.417 40.930 41.434 1.00 55.71 S ATOM 1054 H CYS A1619 1.480 40.691 39.609 1.00 0.00 H ATOM 1055 N TYR A1620 2.943 43.592 40.185 1.00 53.62 N ATOM 1056 CA TYR A1620 3.100 45.091 40.186 1.00 57.27 C ATOM 1057 C TYR A1620 2.060 45.879 41.084 1.00 51.48 C ATOM 1058 O TYR A1620 2.476 46.712 41.885 1.00 61.11 O ATOM 1059 CB TYR A1620 3.161 45.674 38.751 1.00 58.20 C ATOM 1060 CG TYR A1620 4.562 45.502 38.105 1.00 58.37 C ATOM 1061 CD1 TYR A1620 4.950 44.304 37.519 1.00 61.11 C ATOM 1062 CD2 TYR A1620 5.484 46.508 38.137 1.00 59.01 C ATOM 1063 CE1 TYR A1620 6.224 44.118 37.013 1.00 50.23 C ATOM 1064 CE2 TYR A1620 6.759 46.333 37.629 1.00 56.26 C ATOM 1065 CZ TYR A1620 7.132 45.120 37.063 1.00 54.15 C ATOM 1066 OH TYR A1620 8.430 44.940 36.506 1.00 56.02 O ATOM 1067 HH TYR A1620 8.511 44.019 36.153 1.00 0.00 H ATOM 1068 H TYR A1620 2.868 43.081 39.282 1.00 0.00 H ATOM 1069 N GLN A1621 0.758 45.547 40.980 1.00 61.66 N ATOM 1070 CA GLN A1621 -0.317 46.145 41.795 1.00 44.46 C ATOM 1071 C GLN A1621 -0.106 45.916 43.237 1.00 51.07 C ATOM 1072 O GLN A1621 -0.237 46.821 44.042 1.00 53.09 O ATOM 1073 CB GLN A1621 -1.734 45.724 41.400 1.00 64.07 C ATOM 1074 CG GLN A1621 -2.810 46.788 41.626 1.00 88.49 C ATOM 1075 H GLN A1621 0.494 44.823 40.281 1.00 0.00 H ATOM 1076 N THR A1622 0.278 44.701 43.585 1.00 57.02 N ATOM 1077 CA THR A1622 0.539 44.362 44.965 1.00 54.39 C ATOM 1078 C THR A1622 1.786 45.107 45.525 1.00 56.95 C ATOM 1079 O THR A1622 1.731 45.669 46.632 1.00 55.48 O ATOM 1080 CB THR A1622 0.643 42.823 45.146 1.00 58.36 C ATOM 1081 OG1 THR A1622 -0.560 42.210 44.631 1.00 50.49 O ATOM 1082 CG2 THR A1622 0.741 42.508 46.624 1.00 53.22 C ATOM 1083 HG1 THR A1622 -0.655 42.429 43.670 1.00 0.00 H ATOM 1084 H THR A1622 0.395 43.974 42.851 1.00 0.00 H ATOM 1085 N ILE A1623 2.893 45.166 44.774 1.00 55.91 N ATOM 1086 CA ILE A1623 4.114 45.866 45.298 1.00 59.11 C ATOM 1087 C ILE A1623 3.830 47.374 45.445 1.00 73.62 C ATOM 1088 O ILE A1623 4.269 47.990 46.385 1.00 58.18 O ATOM 1089 CB ILE A1623 5.327 45.627 44.376 1.00 65.95 C ATOM 1090 CG1 ILE A1623 5.771 44.187 44.474 1.00 57.34 C ATOM 1091 CG2 ILE A1623 6.546 46.479 44.745 1.00 66.54 C ATOM 1092 CD1 ILE A1623 6.912 43.913 43.526 1.00 72.15 C ATOM 1093 H ILE A1623 2.907 44.728 43.831 1.00 0.00 H ATOM 1094 N THR A1624 3.080 47.907 44.482 1.00 61.29 N ATOM 1095 CA THR A1624 2.645 49.265 44.425 1.00 74.04 C ATOM 1096 C THR A1624 1.863 49.661 45.658 1.00 60.18 C ATOM 1097 O THR A1624 2.280 50.618 46.349 1.00 62.21 O ATOM 1098 CB THR A1624 1.893 49.554 43.070 1.00 59.25 C ATOM 1099 OG1 THR A1624 2.877 49.585 42.060 1.00 65.03 O ATOM 1100 CG2 THR A1624 1.254 50.941 43.030 1.00 75.86 C ATOM 1101 HG1 THR A1624 3.342 48.711 42.027 1.00 0.00 H ATOM 1102 H THR A1624 2.786 47.280 43.706 1.00 0.00 H ATOM 1103 N GLU A1625 0.732 48.995 45.910 1.00 59.89 N ATOM 1104 CA GLU A1625 -0.115 49.330 47.071 1.00 60.49 C ATOM 1105 C GLU A1625 0.697 49.198 48.388 1.00 70.43 C ATOM 1106 O GLU A1625 0.510 49.969 49.357 1.00 60.87 O ATOM 1107 CB GLU A1625 -1.362 48.433 47.088 1.00 62.04 C ATOM 1108 CG GLU A1625 -2.410 48.702 48.176 1.00 81.47 C ATOM 1109 CD GLU A1625 -3.635 47.779 48.061 1.00105.00 C ATOM 1110 OE1 GLU A1625 -4.302 47.876 46.997 1.00103.25 O ATOM 1111 OE2 GLU A1625 -3.916 46.954 49.011 1.00 86.56 O ATOM 1112 H GLU A1625 0.443 48.224 45.274 1.00 0.00 H ATOM 1113 N TYR A1626 1.622 48.241 48.425 1.00 63.30 N ATOM 1114 CA TYR A1626 2.508 48.078 49.593 1.00 57.25 C ATOM 1115 C TYR A1626 3.303 49.352 49.886 1.00 64.51 C ATOM 1116 O TYR A1626 3.387 49.793 51.022 1.00 64.75 O ATOM 1117 CB TYR A1626 3.517 46.912 49.439 1.00 62.01 C ATOM 1118 CG TYR A1626 4.122 46.460 50.779 1.00 62.74 C ATOM 1119 CD1 TYR A1626 3.402 45.605 51.641 1.00 68.47 C ATOM 1120 CD2 TYR A1626 5.412 46.888 51.201 1.00 69.28 C ATOM 1121 CE1 TYR A1626 3.926 45.187 52.883 1.00 83.15 C ATOM 1122 CE2 TYR A1626 5.919 46.513 52.460 1.00 51.30 C ATOM 1123 CZ TYR A1626 5.183 45.646 53.289 1.00 59.19 C ATOM 1124 OH TYR A1626 5.678 45.235 54.526 1.00 66.65 O ATOM 1125 HH TYR A1626 5.828 46.028 55.100 1.00 0.00 H ATOM 1126 H TYR A1626 1.722 47.596 47.615 1.00 0.00 H ATOM 1127 N ASP A1627 3.946 49.854 48.852 1.00 66.27 N ATOM 1128 CA ASP A1627 4.781 51.028 48.925 1.00 67.48 C ATOM 1129 C ASP A1627 4.073 52.289 49.244 1.00 67.49 C ATOM 1130 O ASP A1627 4.650 53.046 49.983 1.00 76.52 O ATOM 1131 CB ASP A1627 5.562 51.207 47.651 1.00 68.50 C ATOM 1132 CG ASP A1627 6.735 50.257 47.586 1.00 68.08 C ATOM 1133 OD1 ASP A1627 7.298 49.930 48.636 1.00 88.13 O ATOM 1134 OD2 ASP A1627 7.133 49.849 46.503 1.00 91.68 O ATOM 1135 H ASP A1627 3.846 49.378 47.933 1.00 0.00 H ATOM 1136 N GLU A1628 2.856 52.513 48.707 1.00 74.20 N ATOM 1137 CA GLU A1628 1.864 53.509 49.261 1.00 90.59 C ATOM 1138 C GLU A1628 1.854 53.498 50.800 1.00 75.86 C ATOM 1139 O GLU A1628 2.025 54.538 51.459 1.00 74.64 O ATOM 1140 CB GLU A1628 0.395 53.201 48.834 1.00109.32 C ATOM 1141 CG GLU A1628 -0.287 54.122 47.827 1.00 93.18 C ATOM 1142 CD GLU A1628 -0.555 53.443 46.482 1.00127.88 C ATOM 1143 OE1 GLU A1628 -1.468 52.563 46.372 1.00111.27 O ATOM 1144 OE2 GLU A1628 0.167 53.806 45.529 1.00 88.93 O ATOM 1145 H GLU A1628 2.585 51.969 47.863 1.00 0.00 H ATOM 1146 N HIS A1629 1.616 52.293 51.327 1.00 77.77 N ATOM 1147 CA HIS A1629 1.424 52.053 52.740 1.00 69.18 C ATOM 1148 C HIS A1629 2.728 52.480 53.472 1.00 65.49 C ATOM 1149 O HIS A1629 2.695 53.378 54.312 1.00 66.28 O ATOM 1150 CB HIS A1629 0.957 50.607 52.966 1.00 80.80 C ATOM 1151 CG HIS A1629 0.339 50.395 54.297 1.00117.76 C ATOM 1152 ND1 HIS A1629 1.088 50.304 55.449 1.00 89.44 N ATOM 1153 CD2 HIS A1629 -0.954 50.304 54.673 1.00150.58 C ATOM 1154 CE1 HIS A1629 0.282 50.187 56.484 1.00103.86 C ATOM 1155 NE2 HIS A1629 -0.961 50.169 56.040 1.00184.00 N ATOM 1156 H HIS A1629 1.566 51.479 50.682 1.00 0.00 H ATOM 1157 N LEU A1630 3.886 51.972 53.051 1.00 60.81 N ATOM 1158 CA LEU A1630 5.175 52.381 53.641 1.00 61.11 C ATOM 1159 C LEU A1630 5.448 53.856 53.574 1.00 79.28 C ATOM 1160 O LEU A1630 5.673 54.475 54.621 1.00 70.73 O ATOM 1161 CB LEU A1630 6.390 51.707 53.015 1.00 53.73 C ATOM 1162 CG LEU A1630 6.434 50.201 53.113 1.00 76.43 C ATOM 1163 CD1 LEU A1630 7.825 49.718 52.743 1.00 69.34 C ATOM 1164 CD2 LEU A1630 6.068 49.767 54.510 1.00 87.06 C ATOM 1165 H LEU A1630 3.881 51.268 52.286 1.00 0.00 H ATOM 1166 N THR A1631 5.438 54.428 52.374 1.00 68.45 N ATOM 1167 CA THR A1631 5.732 55.880 52.228 1.00 86.74 C ATOM 1168 C THR A1631 4.756 56.791 53.066 1.00 58.94 C ATOM 1169 O THR A1631 5.194 57.769 53.602 1.00 67.72 O ATOM 1170 CB THR A1631 5.829 56.337 50.753 1.00 79.04 C ATOM 1171 OG1 THR A1631 4.523 56.266 50.176 1.00125.83 O ATOM 1172 CG2 THR A1631 6.870 55.434 49.921 1.00 65.92 C ATOM 1173 HG1 THR A1631 4.193 55.334 50.223 1.00 0.00 H ATOM 1174 H THR A1631 5.223 53.857 51.532 1.00 0.00 H ATOM 1175 N GLN A1632 3.480 56.436 53.184 1.00 66.38 N ATOM 1176 CA GLN A1632 2.573 57.041 54.167 1.00 60.76 C ATOM 1177 C GLN A1632 3.025 56.810 55.643 1.00 85.55 C ATOM 1178 O GLN A1632 3.147 57.765 56.413 1.00 75.42 O ATOM 1179 CB GLN A1632 1.176 56.436 54.014 1.00 87.95 C ATOM 1180 CG GLN A1632 0.206 56.767 55.143 1.00 91.99 C ATOM 1181 CD GLN A1632 -0.056 58.263 55.259 1.00139.32 C ATOM 1182 OE1 GLN A1632 0.128 59.015 54.291 1.00115.83 O ATOM 1183 NE2 GLN A1632 -0.497 58.705 56.442 1.00153.51 N ATOM 1184 HE22 GLN A1632 -0.637 58.038 57.227 1.00 0.00 H ATOM 1185 HE21 GLN A1632 -0.700 59.716 56.577 1.00 0.00 H ATOM 1186 H GLN A1632 3.109 55.698 52.553 1.00 0.00 H ATOM 1187 N LEU A1633 3.275 55.566 56.067 1.00 84.79 N ATOM 1188 CA LEU A1633 3.705 55.378 57.457 1.00 71.78 C ATOM 1189 C LEU A1633 4.889 56.280 57.705 1.00 77.73 C ATOM 1190 O LEU A1633 4.968 56.954 58.716 1.00 74.85 O ATOM 1191 CB LEU A1633 4.033 53.929 57.832 1.00 73.26 C ATOM 1192 CG LEU A1633 2.912 52.865 58.018 1.00105.48 C ATOM 1193 CD1 LEU A1633 3.479 51.683 58.805 1.00 96.46 C ATOM 1194 CD2 LEU A1633 1.591 53.330 58.653 1.00122.90 C ATOM 1195 H LEU A1633 3.167 54.753 55.428 1.00 0.00 H ATOM 1196 N GLU A1634 5.769 56.352 56.731 1.00 71.91 N ATOM 1197 CA GLU A1634 7.009 57.120 56.850 1.00 66.26 C ATOM 1198 C GLU A1634 6.761 58.610 57.048 1.00 76.69 C ATOM 1199 O GLU A1634 7.402 59.246 57.873 1.00 71.76 O ATOM 1200 CB GLU A1634 7.829 56.900 55.591 1.00 73.07 C ATOM 1201 CG GLU A1634 9.309 56.670 55.758 1.00 93.33 C ATOM 1202 CD GLU A1634 10.009 56.770 54.414 1.00129.99 C ATOM 1203 OE1 GLU A1634 9.998 57.887 53.825 1.00148.58 O ATOM 1204 OE2 GLU A1634 10.540 55.741 53.943 1.00 86.80 O ATOM 1205 H GLU A1634 5.577 55.845 55.844 1.00 0.00 H ATOM 1206 N LYS A1635 5.825 59.160 56.297 1.00 74.80 N ATOM 1207 CA LYS A1635 5.520 60.584 56.400 1.00 86.92 C ATOM 1208 C LYS A1635 4.949 60.882 57.787 1.00 91.25 C ATOM 1209 O LYS A1635 5.226 61.942 58.326 1.00 83.99 O ATOM 1210 CB LYS A1635 4.531 61.075 55.312 1.00 82.22 C ATOM 1211 CG LYS A1635 5.019 61.133 53.856 1.00129.49 C ATOM 1212 CD LYS A1635 6.456 61.614 53.640 1.00156.88 C ATOM 1213 CE LYS A1635 7.472 60.466 53.540 1.00125.67 C ATOM 1214 NZ LYS A1635 8.872 60.987 53.644 1.00143.96 N ATOM 1215 HZ1 LYS A1635 9.048 61.661 52.871 1.00 0.00 H ATOM 1216 HZ2 LYS A1635 8.995 61.467 54.559 1.00 0.00 H ATOM 1217 HZ3 LYS A1635 9.542 60.194 53.574 1.00 0.00 H ATOM 1218 H LYS A1635 5.297 58.570 55.622 1.00 0.00 H ATOM 1219 N ASP A1636 4.169 59.951 58.350 1.00 87.07 N ATOM 1220 CA ASP A1636 3.613 60.073 59.717 1.00 89.15 C ATOM 1221 C ASP A1636 4.687 60.113 60.796 1.00101.37 C ATOM 1222 O ASP A1636 4.688 60.959 61.703 1.00 88.53 O ATOM 1223 CB ASP A1636 2.677 58.907 60.048 1.00 79.41 C ATOM 1224 CG ASP A1636 1.548 58.770 59.046 1.00112.98 C ATOM 1225 OD1 ASP A1636 1.260 59.816 58.444 1.00 80.68 O ATOM 1226 OD2 ASP A1636 0.986 57.647 58.858 1.00128.71 O ATOM 1227 H ASP A1636 3.942 59.099 57.799 1.00 0.00 H ATOM 1228 N ILE A1637 5.600 59.178 60.700 1.00 82.93 N ATOM 1229 CA ILE A1637 6.794 59.230 61.512 1.00 76.90 C ATOM 1230 C ILE A1637 7.505 60.599 61.476 1.00 74.60 C ATOM 1231 O ILE A1637 7.969 61.061 62.507 1.00 82.65 O ATOM 1232 CB ILE A1637 7.731 58.059 61.146 1.00 96.74 C ATOM 1233 CG1 ILE A1637 7.333 56.800 61.946 1.00104.59 C ATOM 1234 CG2 ILE A1637 9.217 58.381 61.371 1.00 80.37 C ATOM 1235 CD1 ILE A1637 5.858 56.411 61.943 1.00120.03 C ATOM 1236 H ILE A1637 5.464 58.391 60.033 1.00 0.00 H ATOM 1237 N CYS A1638 7.617 61.234 60.317 1.00 77.18 N ATOM 1238 CA CYS A1638 8.332 62.509 60.244 1.00 92.52 C ATOM 1239 C CYS A1638 7.543 63.673 60.821 1.00 76.90 C ATOM 1240 O CYS A1638 8.127 64.493 61.498 1.00 89.37 O ATOM 1241 CB CYS A1638 8.835 62.771 58.836 1.00101.00 C ATOM 1242 SG CYS A1638 10.114 61.542 58.468 1.00100.46 S ATOM 1243 H CYS A1638 7.196 60.825 59.458 1.00 0.00 H ATOM 1244 N THR A1639 6.234 63.716 60.578 1.00 88.24 N ATOM 1245 CA THR A1639 5.316 64.630 61.271 1.00104.65 C ATOM 1246 C THR A1639 5.547 64.550 62.795 1.00109.03 C ATOM 1247 O THR A1639 6.092 65.474 63.394 1.00 84.81 O ATOM 1248 CB THR A1639 3.843 64.312 60.911 1.00103.19 C ATOM 1249 OG1 THR A1639 3.675 64.453 59.496 1.00 92.80 O ATOM 1250 CG2 THR A1639 2.840 65.229 61.676 1.00102.06 C ATOM 1251 HG1 THR A1639 4.279 63.823 59.029 1.00 0.00 H ATOM 1252 H THR A1639 5.843 63.071 59.862 1.00 0.00 H ATOM 1253 N ALA A1640 5.183 63.431 63.408 1.00 74.23 N ATOM 1254 CA ALA A1640 5.533 63.167 64.794 1.00104.15 C ATOM 1255 C ALA A1640 6.892 63.721 65.215 1.00109.01 C ATOM 1256 O ALA A1640 6.951 64.426 66.203 1.00 98.63 O ATOM 1257 CB ALA A1640 5.510 61.679 65.062 1.00104.07 C ATOM 1258 H ALA A1640 4.632 62.723 62.882 1.00 0.00 H ATOM 1259 N LYS A1641 7.967 63.406 64.479 1.00101.34 N ATOM 1260 CA LYS A1641 9.313 63.847 64.873 1.00 85.76 C ATOM 1261 C LYS A1641 9.382 65.374 64.855 1.00 85.39 C ATOM 1262 O LYS A1641 10.016 65.935 65.745 1.00 94.83 O ATOM 1263 CB LYS A1641 10.474 63.183 64.072 1.00 66.71 C ATOM 1264 H LYS A1641 7.847 62.840 63.615 1.00 0.00 H ATOM 1265 N GLU A1642 8.710 66.035 63.893 1.00 98.14 N ATOM 1266 CA GLU A1642 8.710 67.525 63.784 1.00104.68 C ATOM 1267 C GLU A1642 8.018 68.119 65.015 1.00 98.69 C ATOM 1268 O GLU A1642 8.634 68.872 65.782 1.00 96.80 O ATOM 1269 CB GLU A1642 8.034 68.028 62.475 1.00 71.50 C ATOM 1270 H GLU A1642 8.168 65.485 63.196 1.00 0.00 H ATOM 1271 N ALA A1643 6.752 67.719 65.178 1.00105.49 N ATOM 1272 CA ALA A1643 5.859 68.033 66.309 1.00 90.49 C ATOM 1273 C ALA A1643 6.509 68.049 67.691 1.00116.10 C ATOM 1274 O ALA A1643 6.412 69.051 68.423 1.00148.35 O ATOM 1275 CB ALA A1643 4.692 67.047 66.335 1.00 81.57 C ATOM 1276 H ALA A1643 6.354 67.122 64.425 1.00 0.00 H ATOM 1277 N ALA A1644 7.150 66.938 68.050 1.00 82.82 N ATOM 1278 CA ALA A1644 7.899 66.868 69.317 1.00108.32 C ATOM 1279 C ALA A1644 8.951 67.974 69.443 1.00104.13 C ATOM 1280 O ALA A1644 8.840 68.806 70.339 1.00182.78 O ATOM 1281 CB ALA A1644 8.549 65.517 69.482 1.00 99.22 C ATOM 1282 H ALA A1644 7.121 66.107 67.426 1.00 0.00 H ATOM 1283 N LEU A1645 9.920 68.024 68.519 1.00111.72 N ATOM 1284 CA LEU A1645 10.881 69.139 68.435 1.00100.67 C ATOM 1285 C LEU A1645 10.145 70.522 68.553 1.00 87.38 C ATOM 1286 O LEU A1645 10.605 71.388 69.293 1.00193.87 O ATOM 1287 CB LEU A1645 11.772 69.026 67.176 1.00 72.10 C ATOM 1288 H LEU A1645 9.997 67.245 67.834 1.00 0.00 H ATOM 1289 N GLU A1646 8.988 70.701 67.890 1.00100.26 N ATOM 1290 CA GLU A1646 8.199 71.969 67.997 1.00103.02 C ATOM 1291 C GLU A1646 7.665 72.265 69.411 1.00125.79 C ATOM 1292 O GLU A1646 7.388 73.423 69.710 1.00165.16 O ATOM 1293 CB GLU A1646 7.034 72.017 66.995 1.00 78.34 C ATOM 1294 H GLU A1646 8.631 69.935 67.284 1.00 0.00 H ATOM 1295 N GLU A1647 7.545 71.240 70.272 1.00126.92 N ATOM 1296 CA GLU A1647 6.954 71.378 71.638 1.00169.61 C ATOM 1297 C GLU A1647 7.878 71.833 72.792 1.00195.27 C ATOM 1298 O GLU A1647 7.432 72.547 73.702 1.00230.07 O ATOM 1299 CB GLU A1647 6.218 70.077 72.061 1.00104.93 C ATOM 1300 CG GLU A1647 4.835 69.949 71.430 1.00129.79 C ATOM 1301 CD GLU A1647 3.701 69.808 72.446 1.00166.99 C ATOM 1302 OE1 GLU A1647 3.010 70.822 72.726 1.00191.44 O ATOM 1303 OE2 GLU A1647 3.487 68.684 72.954 1.00128.70 O ATOM 1304 H GLU A1647 7.881 70.302 69.972 1.00 0.00 H ATOM 1305 N ALA A1648 9.135 71.404 72.778 1.00152.71 N ATOM 1306 CA ALA A1648 10.108 71.844 73.783 1.00136.79 C ATOM 1307 C ALA A1648 10.492 73.310 73.574 1.00166.33 C ATOM 1308 O ALA A1648 10.630 74.063 74.553 1.00271.53 O ATOM 1309 CB ALA A1648 11.340 70.961 73.745 1.00141.65 C ATOM 1310 H ALA A1648 9.436 70.740 72.036 1.00 0.00 H ATOM 1311 N GLU A1649 10.666 73.703 72.304 1.00129.74 N ATOM 1312 CA GLU A1649 10.779 75.118 71.924 1.00161.86 C ATOM 1313 C GLU A1649 9.652 75.962 72.587 1.00182.93 C ATOM 1314 O GLU A1649 9.915 77.073 73.054 1.00185.34 O ATOM 1315 CB GLU A1649 10.805 75.277 70.391 1.00118.46 C ATOM 1316 H GLU A1649 10.723 72.979 71.560 1.00 0.00 H ATOM 1317 N LEU A1650 8.429 75.409 72.653 1.00150.75 N ATOM 1318 CA LEU A1650 7.310 75.950 73.468 1.00139.41 C ATOM 1319 C LEU A1650 7.097 75.155 74.790 1.00136.84 C ATOM 1320 O LEU A1650 7.803 75.331 75.808 1.00138.84 O ATOM 1321 CB LEU A1650 6.000 75.978 72.639 1.00 88.91 C ATOM 1322 H LEU A1650 8.254 74.547 72.098 1.00 0.00 H TER 1323 LEU A1650 HETATM 1324 O HOH 1 6.823 31.310 28.456 1.00 47.75 O HETATM 1325 O HOH 2 5.793 27.635 33.187 1.00 38.72 O HETATM 1326 O HOH 3 9.826 25.931 48.045 1.00 73.83 O HETATM 1327 O HOH 4 6.966 30.356 33.116 1.00 39.68 O HETATM 1328 O HOH 5 7.901 45.979 55.548 1.00 59.78 O HETATM 1329 O HOH 6 10.030 30.966 49.343 1.00 46.94 O HETATM 1330 O HOH 7 -4.007 40.151 37.294 1.00 69.82 O HETATM 1331 O HOH 8 11.199 27.793 34.575 1.00 51.64 O HETATM 1332 O HOH 9 5.836 29.025 49.833 1.00 54.95 O HETATM 1333 O HOH 10 14.436 40.520 33.069 1.00 53.93 O HETATM 1334 O HOH 11 7.835 20.621 35.076 1.00 60.06 O HETATM 1335 O HOH 12 8.426 31.738 30.942 1.00 64.19 O HETATM 1336 O HOH 13 14.554 36.687 48.496 1.00 43.87 O HETATM 1337 O HOH 14 8.618 22.950 40.221 1.00 53.22 O HETATM 1338 O HOH 15 0.000 22.297 33.083 1.00 35.51 O HETATM 1339 O HOH 16 -3.569 30.611 22.554 1.00 69.37 O HETATM 1340 O HOH 17 1.041 22.388 37.815 1.00 75.50 O HETATM 1341 O HOH 18 10.528 27.374 32.434 1.00 47.57 O HETATM 1342 O HOH 19 7.726 50.316 40.768 1.00 73.28 O HETATM 1343 O HOH 20 16.691 44.214 51.974 1.00 54.25 O HETATM 1344 O HOH 21 8.970 45.875 48.708 1.00 64.02 O HETATM 1345 O HOH 22 2.266 42.886 24.924 1.00 69.90 O HETATM 1346 O HOH 23 10.278 45.779 54.988 1.00 71.61 O HETATM 1347 O HOH 24 10.315 32.376 53.621 1.00 69.20 O HETATM 1348 O HOH 25 19.657 35.215 56.700 1.00 62.81 O HETATM 1349 C10 BMF A 26 2.586 24.143 28.507 1.00 -0.02 C HETATM 1350 C09 BMF A 26 2.859 23.810 29.885 1.00 -0.04 C HETATM 1351 C03 BMF A 26 2.517 22.563 30.484 1.00 0.07 C HETATM 1352 C02 BMF A 26 1.855 21.636 29.641 1.00 -0.03 C HETATM 1353 C28 BMF A 26 1.574 21.936 28.310 1.00 -0.07 C HETATM 1354 C27 BMF A 26 1.932 23.151 27.753 1.00 -0.07 C HETATM 1355 H20 BMF A 26 1.703 23.343 26.711 1.00 0.05 H HETATM 1356 H8 BMF A 26 1.064 21.202 27.697 1.00 0.05 H HETATM 1357 C01 BMF A 26 1.442 20.395 30.040 1.00 -0.03 C HETATM 1358 H9 BMF A 26 0.958 19.881 29.196 1.00 0.04 H HETATM 1359 H10 BMF A 26 0.725 20.496 30.868 1.00 0.04 H HETATM 1360 H11 BMF A 26 2.311 19.810 30.377 1.00 0.04 H HETATM 1361 N04 BMF A 26 2.725 22.225 31.825 1.00 -0.19 N HETATM 1362 S05 BMF A 26 4.328 21.990 32.316 1.00 0.06 S HETATM 1363 C06 BMF A 26 4.317 20.477 33.161 1.00 0.08 C HETATM 1364 H13 BMF A 26 5.332 20.248 33.517 1.00 0.05 H HETATM 1365 H14 BMF A 26 3.978 19.680 32.482 1.00 0.05 H HETATM 1366 H15 BMF A 26 3.633 20.542 34.020 1.00 0.05 H HETATM 1367 O07 BMF A 26 4.731 23.121 33.299 1.00 -0.15 O HETATM 1368 O08 BMF A 26 5.127 21.951 31.043 1.00 -0.15 O HETATM 1369 H12 BMF A 26 1.962 22.127 32.464 1.00 0.21 H HETATM 1370 H16 BMF A 26 3.353 24.553 30.501 1.00 0.05 H HETATM 1371 C11 BMF A 26 2.921 25.413 27.909 1.00 0.05 C HETATM 1372 N12 BMF A 26 3.461 26.408 28.653 1.00 -0.17 N HETATM 1373 N13 BMF A 26 3.750 27.518 28.201 1.00 -0.11 N HETATM 1374 C14 BMF A 26 3.591 27.928 26.971 1.00 0.21 C HETATM 1375 C15 BMF A 26 3.066 27.060 26.090 1.00 0.14 C HETATM 1376 C22 BMF A 26 2.701 25.776 26.554 1.00 -0.01 C HETATM 1377 H4 BMF A 26 2.248 25.061 25.869 1.00 0.04 H HETATM 1378 N16 BMF A 26 2.923 27.573 24.845 1.00 -0.19 N HETATM 1379 C17 BMF A 26 2.965 26.905 23.648 1.00 0.36 C HETATM 1380 O18 BMF A 26 2.829 27.644 22.489 1.00 -0.26 O HETATM 1381 C19 BMF A 26 2.088 27.110 21.365 1.00 0.08 C HETATM 1382 C20 BMF A 26 0.625 27.340 21.715 1.00 -0.04 C HETATM 1383 H1 BMF A 26 -0.011 26.958 20.903 1.00 0.03 H HETATM 1384 H2 BMF A 26 0.444 28.417 21.846 1.00 0.03 H HETATM 1385 H3 BMF A 26 0.384 26.811 22.649 1.00 0.03 H HETATM 1386 H18 BMF A 26 2.353 27.642 20.439 1.00 0.06 H HETATM 1387 H19 BMF A 26 2.292 26.036 21.242 1.00 0.06 H HETATM 1388 O21 BMF A 26 3.117 25.684 23.563 1.00 -0.36 O HETATM 1389 H17 BMF A 26 2.768 28.559 24.792 1.00 0.24 H HETATM 1390 N23 BMF A 26 4.040 29.198 26.928 1.00 -0.27 N HETATM 1391 N24 BMF A 26 4.437 29.551 27.903 1.00 -0.27 N HETATM 1392 C25 BMF A 26 4.284 28.568 28.778 1.00 0.16 C HETATM 1393 C26 BMF A 26 4.659 28.646 30.241 1.00 0.02 C HETATM 1394 H5 BMF A 26 5.085 29.637 30.458 1.00 0.05 H HETATM 1395 H6 BMF A 26 5.402 27.869 30.471 1.00 0.05 H HETATM 1396 H7 BMF A 26 3.762 28.490 30.858 1.00 0.05 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1349 1350 1354 1371 CONECT 1350 1349 1351 1370 CONECT 1351 1350 1352 1361 CONECT 1352 1351 1353 1357 CONECT 1353 1352 1354 1356 CONECT 1354 1349 1353 1355 CONECT 1355 1354 CONECT 1356 1353 CONECT 1357 1352 1358 1359 1360 CONECT 1358 1357 CONECT 1359 1357 CONECT 1360 1357 CONECT 1361 1351 1362 1369 CONECT 1362 1361 1363 1367 1368 CONECT 1363 1362 1364 1365 1366 CONECT 1364 1363 CONECT 1365 1363 CONECT 1366 1363 CONECT 1367 1362 CONECT 1368 1362 CONECT 1369 1361 CONECT 1370 1350 CONECT 1371 1349 1372 1376 CONECT 1372 1371 1373 CONECT 1373 1372 1374 1392 CONECT 1374 1373 1375 1390 CONECT 1375 1374 1376 1378 CONECT 1376 1371 1375 1377 CONECT 1377 1376 CONECT 1378 1375 1379 1389 CONECT 1379 1378 1380 1388 CONECT 1380 1379 1381 CONECT 1381 1380 1382 1386 1387 CONECT 1382 1381 1383 1384 1385 CONECT 1383 1382 CONECT 1384 1382 CONECT 1385 1382 CONECT 1386 1381 CONECT 1387 1381 CONECT 1388 1379 CONECT 1389 1378 CONECT 1390 1374 1391 CONECT 1391 1390 1392 CONECT 1392 1373 1391 1393 CONECT 1393 1392 1394 1395 1396 CONECT 1394 1393 CONECT 1395 1393 CONECT 1396 1393 MASTER 0 0 0 0 0 0 0 0 1395 1 52 11 END
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Related entries of code: 5igl
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
5c7n
RCSB PDB
PDBbind
BMF
5igk
RCSB PDB
PDBbind
BMF
5igm
RCSB PDB
PDBbind
BMF
Entry Information
PDB ID
5igl
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
second bromodomain of human TAF1L
Ligand Name
BMF
EC.Number
E.C.-.-.-.-
Resolution
2.1(Å)
Affinity (Kd/Ki/IC50)
Kd=42.7nM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Sci Adv Vol. 2: pp. e1600760-e1600760
Ligand Properties
Formula
C
1
7
H
2
0
N
6
O
4
S
Molecular Weight
404.444
Exact Mass
404.127
No. of atoms
48
No. of bonds
50
Polar Surface Area
135.96
LOGP Value
1.08 (
Computed with XLOGP3
)
3.57 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 3
Canonical SMILES
CCOC(=O)Nc1cc(nn2c1nnc2C)c1ccc(c(c1)NS(=O)(=O)C)C
InChI String
InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q8IZX4
Entrez Gene ID
NCBI Entrez Gene ID:
138474
ASD
Information of known allosteric effects of PDB entries
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